A0A087XN53_POEFO Loading...

glutamine--fructose-6-phosphate transaminase (isomerizing)

AlphaFold DB , UniProt , Accession A0A087XN53, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 686 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M63.3Low92.5Very high7 Ų714.5 Ų14.53%0.0347%0.068CC..  0141.80-172.8-166.7-69.200108.3R33 P207 E430 S682 T684M1-R33 CarbonylContact C-O 3.57Å; M1-R33 PolarHBondContact N-O 2.72Å; M1-R33 CarbonylContact O-C 3.53Å; M1-R33 WeakPolarHBondContact O-CA 3.46Å; M1-R33 WeakPolarHBondContact O-CB 3.3Å; M1-R33 PolarHBondContact SD-NH1 3.48Å; M1-P207 HydrophobicContact CE-CG 4.31Å; M1-E430 HydrophobicContact CE-CB 4.08Å; M1-E430 HydrophobicContact CE-CG 4.4Å; M1-S682 WeakPolarHBondContact CB-OG 3.38Å; M1-S682 PolarHBondContact N-O 3.15Å; M1-T684 HydrophobicContact CB-CG2 4.28Å; M1-T684 HydrophobicContact CE-CG2 3.06Å; M1-T684 WeakPolarHBondContact CE-OG1 3.47Å; M1-T684 HydrophobicContact CG-CG2 4.43Å; M1-T684 VanDerWaalsContact CG-OG1 3.29Å; M1-T684 WeakPolarHBondContact CG-OG1 3.21Å
2C87.9Confident92.6Very high20 Ų2015.2 Ų15.214%0.1357%0.074CC..  trans-71.2171.7175.2-63.10000112.8T95 W97 N124C2-T95 WeakPolarHBondContact CA-O 3.14Å; C2-T95 VanDerWaalsContact CB-O 3.25Å; C2-T95 WeakPolarHBondContact CB-O 3.36Å; C2-W97 PolarHBondContact SG-N 3.11Å; C2-W97 PolarHBondContact SG-O 3.36Å; C2-N124 WeakPolarHBondContact CB-OD1 3.47Å; C2-N124 PolarHBondContact O-ND2 2.84Å
3G94.3Very high92.7Very high0 Ų019.2 Ų19.20%010%0.102CC..EExtended strand (participates in β ladder)trans-117.3124176.700000112.4H94 T95G3-H94 CarbonylContact O-C 3.56Å; G3-H94 VanDerWaalsContact O-CA 3.29Å; G3-H94 WeakPolarHBondContact O-CA 3.45Å; G3-H94 PolarHBondContact O-CD2 3.32Å; G3-T95 WeakPolarHBondContact CA-OG1 3.34Å; G3-T95 PolarHBondContact N-O 2.73Å; G3-T95 PolarHBondContact N-OG1 3.4Å; G3-T95 PolarHBondContact O-N 3.32Å
4I97.8Very high92.8Very high0 Ų022.2 Ų22.20%011%0.112CC..EExtended strand (participates in β ladder)trans-102.1131.9169.7-79.6168.6000108.8L30 I122 N124 A187 V189 L208 A265 S266I4-L30 WeakPolarHBondContact O-CD1 3.42Å; I4-I122 HydrophobicContact CB-CD1 4.28Å; I4-I122 HydrophobicContact CG1-CB 4.47Å; I4-I122 HydrophobicContact CG1-CD1 4.08Å; I4-I122 HydrophobicContact CG1-CG1 4.19Å; I4-I122 HydrophobicContact CG2-CD1 3.74Å; I4-I122 HydrophobicContact CG2-CG1 4.43Å; I4-N124 HydrophobicContact CD1-CB 3.95Å; I4-A187 HydrophobicContact CD1-CB 4.11Å; I4-A187 WeakPolarHBondContact CD1-O 3.37Å; I4-V189 HydrophobicContact CG2-CG2 3.68Å; I4-L208 HydrophobicContact CG2-CD1 4.02Å; I4-A265 VanDerWaalsContact O-CA 3.24Å; I4-A265 WeakPolarHBondContact O-CA 3.5Å; I4-S266 PolarHBondContact N-OG 3.29Å; I4-S266 PolarHBondContact O-N 3.01Å; I4-S266 VanDerWaalsContact O-N 3.1Å
5F98.5Very high92.9Very high0 Ų023.4 Ų23.40%012%0.12CC..EExtended strand (participates in β ladder)trans-140.3135.2165.1-175-104.3000110.2T22 L23 L27 L30 A93 Y263 F264 A265 A270 H274F5-T22 HydrophobicContact CE1-CG2 4.17Å; F5-T22 WeakPolarHBondContact CE1-O 3.37Å; F5-T22 HydrophobicContact CZ-CG2 4.24Å; F5-L23 HydrophobicContact CD1-CD2 3.99Å; F5-L23 HydrophobicContact CE1-CD2 4.15Å; F5-L27 HydrophobicContact CB-CD2 4.29Å; F5-L30 HydrophobicContact CB-CD1 3.99Å; F5-A93 HydrophobicContact CB-CB 4.42Å; F5-A93 PolarHBondContact N-O 3.38Å; F5-A93 CarbonylContact O-C 3.53Å; F5-A93 WeakPolarHBondContact O-CA 3.39Å; F5-A93 WeakPolarHBondContact O-CB 3.44Å; F5-A93 PolarHBondContact O-N 3.27Å; F5-Y263 HydrophobicContact CE2-CD1 4.36Å; F5-Y263 HydrophobicContact CZ-CD1 4.02Å; F5-F264 CarbonylContact C-O 3.56Å; F5-F264 VanDerWaalsContact CA-O 3.24Å; F5-F264 WeakPolarHBondContact CA-O 3.33Å; F5-A265 HydrophobicContact CD2-CB 4.23Å; F5-A270 HydrophobicContact CD2-CB 3.69Å; F5-A270 HydrophobicContact CE2-CB 4.05Å; F5-A270 WeakPolarHBondContact CE2-O 3.46Å; F5-H274 AromaticContact CZ-NE2 3.94Å
6A98.3Very high92.9Very high0 Ų021.9 Ų21.90%011%0.113CC..EExtended strand (participates in β ladder)trans-142.3146171.300000110.6F90 G91 L92 V189 Y263 F264A6-F90 HydrophobicContact CB-CE2 3.6Å; A6-F90 HydrophobicContact CB-CZ 3.82Å; A6-G91 CarbonylContact C-O 3.55Å; A6-G91 WeakPolarHBondContact CA-O 3.39Å; A6-G91 VanDerWaalsContact CB-O 3.26Å; A6-G91 WeakPolarHBondContact CB-O 3.34Å; A6-L92 HydrophobicContact CB-CD2 3.67Å; A6-V189 HydrophobicContact CB-CG1 4.08Å; A6-Y263 CarbonylContact O-C 3.34Å; A6-Y263 WeakPolarHBondContact O-CA 3.48Å; A6-F264 HydrophobicContact CB-CB 4.07Å; A6-F264 HydrophobicContact CB-CD2 4.21Å; A6-F264 HydrophobicContact CB-CG 4.49Å; A6-F264 PolarHBondContact N-O 3.46Å; A6-F264 PolarHBondContact O-N 2.77Å
7Y98.4Very high92.9Very high2 Ų225.8 Ų25.81%0.00813%0.129CC..EExtended strand (participates in β ladder)trans-126.5123.1-176.8172.4-126.5000109.8N9 R14 I19 T22 F90 G91 E261 Y263Y7-N9 HydrophobicContact CE1-CB 4.1Å; Y7-N9 HydrophobicContact CE2-CB 4.38Å; Y7-R14 HydrophobicContact CE1-CG 4.39Å; Y7-R14 PolarHBondContact OH-NE 2.94Å; Y7-I19 HydrophobicContact CE1-CG1 4.26Å; Y7-T22 HydrophobicContact CD1-CG2 3.93Å; Y7-T22 HydrophobicContact CD2-CG2 4.28Å; Y7-T22 HydrophobicContact CE1-CG2 4.33Å; Y7-T22 HydrophobicContact CG-CG2 3.88Å; Y7-F90 WeakPolarHBondContact O-CA 3.25Å; Y7-F90 WeakPolarHBondContact O-CD2 3.25Å; Y7-G91 PolarHBondContact N-O 3.05Å; Y7-G91 PolarHBondContact O-N 3.23Å; Y7-E261 HydrophobicContact CE2-CB 4.07Å; Y7-E261 HydrophobicContact CE2-CG 4Å; Y7-E261 PolarHBondContact OH-OE1 3.16Å; Y7-Y263 AromaticContact CD2-CD1 3.75Å; Y7-Y263 HydrophobicContact CD2-CD1 3.75Å; Y7-Y263 AromaticContact CD2-CE1 3.34Å; Y7-Y263 HydrophobicContact CD2-CE1 3.34Å; Y7-Y263 AromaticContact CD2-CZ 3.91Å; Y7-Y263 HydrophobicContact CE2-CD1 4.38Å; Y7-Y263 AromaticContact CE2-CE1 3.55Å; Y7-Y263 HydrophobicContact CE2-CE1 3.55Å; Y7-Y263 AromaticContact CE2-CZ 3.69Å; Y7-Y263 HydrophobicContact CG-CE1 4.33Å
8L97.5Very high93.1Very high0 Ų028.4 Ų28.40%014%0.141CC..EExtended strand (participates in β ladder)trans-114.4115.9172-167.9146.9000108.7H89 F90 A199 E261 Y262 V289L8-H89 WeakPolarHBondContact CA-O 3.25Å; L8-F90 HydrophobicContact CB-CD2 3.64Å; L8-F90 HydrophobicContact CB-CE2 4.18Å; L8-F90 HydrophobicContact CB-CG 4.48Å; L8-F90 HydrophobicContact CD1-CB 4.13Å; L8-F90 HydrophobicContact CD1-CD2 3.95Å; L8-F90 HydrophobicContact CD1-CG 4.09Å; L8-F90 HydrophobicContact CG-CB 4.37Å; L8-F90 HydrophobicContact CG-CD2 4.15Å; L8-A199 HydrophobicContact CD1-CB 3.72Å; L8-E261 CarbonylContact O-C 3.59Å; L8-E261 VanDerWaalsContact O-CA 3.28Å; L8-E261 WeakPolarHBondContact O-CA 3.49Å; L8-Y262 HydrophobicContact CD2-CD2 3.95Å; L8-Y262 PolarHBondContact N-O 3.2Å; L8-Y262 PolarHBondContact O-N 2.78Å; L8-V289 HydrophobicContact CD1-CB 4.31Å; L8-V289 HydrophobicContact CD1-CG1 4.07Å; L8-V289 HydrophobicContact CD2-CG1 4.23Å
9N96Very high93.3Very high0 Ų026.9 Ų26.90%013%0.133CC..EExtended strand (participates in β ladder)trans-97.8122.5164.857.3-66.6000108.2Y7 V12 R14 L86 H87 T88 H89 E261Y7-N9 HydrophobicContact CE1-CB 4.1Å; Y7-N9 HydrophobicContact CE2-CB 4.38Å; N9-V12 HydrophobicContact CB-CB 4.2Å; N9-V12 PolarHBondContact ND2-O 3.34Å; N9-R14 HydrophobicContact CB-CG 4.25Å; N9-L86 PolarHBondContact ND2-O 3.38Å; N9-H87 PolarHBondContact ND2-O 2.8Å; N9-T88 WeakPolarHBondContact O-CA 3.35Å; N9-H89 PolarHBondContact N-O 3.35Å; N9-H89 VanDerWaalsContact N-O 3.12Å; N9-H89 PolarHBondContact O-N 3.17Å; N9-H89 VanDerWaalsContact O-N 3.09Å; N9-H89 WeakPolarHBondContact OD1-CB 3.29Å; N9-H89 PolarHBondContact OD1-O 2.95Å; N9-E261 HydrophobicContact CB-CG 4.44Å
10Y94.3Very high93.4Very high42 Ų4225.7 Ų25.717%0.16513%0.127CC..EExtended strand (participates in β ladder)trans-116.5116.2177-173.5-97.4000109.7V12 T88 A259 V260 G291Y10-V12 PolarHBondContact O-N 3.14Å; Y10-V12 VanDerWaalsContact O-N 3.13Å; Y10-T88 HydrophobicContact CD2-CG2 3.8Å; Y10-T88 HydrophobicContact CE2-CG2 4.3Å; Y10-A259 WeakPolarHBondContact O-CA 3.36Å; Y10-V260 HydrophobicContact CD1-CG1 4.22Å; Y10-V260 HydrophobicContact CG-CG1 4.47Å; Y10-V260 PolarHBondContact N-O 3.38Å; Y10-V260 PolarHBondContact O-N 2.92Å; Y10-V260 VanDerWaalsContact O-N 3.08Å; Y10-G291 WeakPolarHBondContact CE1-O 3.48Å; Y10-G291 VanDerWaalsContact CZ-O 3.31Å; Y10-G291 PolarHBondContact OH-O 3Å
11Q91.7Very high93.5Very high88 Ų8827.7 Ų27.741%0.41114%0.136SC..SBendtrans53.525.7-172.3-56.1-171.521.200114.2H87 T88 G257Q11-H87 WeakPolarHBondContact CA-O 3.41Å; Q11-H87 PolarHBondContact N-O 2.97Å; Q11-T88 PolarHBondContact N-OG1 2.86Å; Q11-G257 VanDerWaalsContact CD-O 3.3Å; Q11-G257 PolarHBondContact NE2-O 3.34Å; Q11-G257 PolarHBondContact OE1-O 3.06Å
12V93.3Very high95.1Very high23 Ų2328.3 Ų28.314%0.13914%0.14CC..  trans-115.3104.4173.3176.20000106.7N9 Y10 R14 H87 A259 E261N9-V12 HydrophobicContact CB-CB 4.2Å; N9-V12 PolarHBondContact ND2-O 3.34Å; Y10-V12 PolarHBondContact O-N 3.14Å; Y10-V12 VanDerWaalsContact O-N 3.13Å; V12-R14 HydrophobicContact CG1-CG 4.5Å; V12-R14 PolarHBondContact O-N 2.95Å; V12-H87 PolarHBondContact N-O 2.81Å; V12-H87 VanDerWaalsContact N-O 3.1Å; V12-A259 HydrophobicContact CG2-CB 3.78Å; V12-E261 HydrophobicContact CB-CG 4.26Å; V12-E261 HydrophobicContact CG1-CG 4.29Å; V12-E261 HydrophobicContact CG2-CG 4.08Å
13P93.3Very high95.6Very high67 Ų6727.4 Ų27.444%0.43513%0.134SC..  trans-60124.5-178.8-18.828.9000110.9
14R94.9Very high95.7Very high62 Ų6227.5 Ų27.523%0.23414%0.135CC..EExtended strand (participates in β ladder)trans-135.4139173-65.6-64.9-175.5-156.1-7.7109.9Y7 N9 V12 E18 I19 L86 E261Y7-R14 HydrophobicContact CE1-CG 4.39Å; Y7-R14 PolarHBondContact OH-NE 2.94Å; N9-R14 HydrophobicContact CB-CG 4.25Å; V12-R14 HydrophobicContact CG1-CG 4.5Å; V12-R14 PolarHBondContact O-N 2.95Å; R14-E18 WeakPolarHBondContact CA-OE2 3.34Å; R14-I19 HydrophobicContact CB-CD1 4.12Å; R14-I19 HydrophobicContact CB-CG1 3.87Å; R14-L86 PolarHBondContact N-O 2.69Å; R14-L86 PolarHBondContact O-N 3.34Å; R14-E261 IonicContact CZ-OE1 3.09Å; R14-E261 IonicContact NE-OE1 3.89Å; R14-E261 IonicContact NH2-OE1 3.87Å; R14-E261 PolarHBondContact NH2-OE1 2.8Å
15T94.6Very high95.6Very high40 Ų4033 Ų3325%0.24516%0.156CC..EExtended strand (participates in β ladder)trans-69.1151.5168.560.10000110.1K17 E18 I19 E84T15-K17 PolarHBondContact O-N 2.99Å; T15-E18 PolarHBondContact N-OE2 2.94Å; T15-E18 PolarHBondContact O-N 3.37Å; T15-E18 VanDerWaalsContact O-N 3.07Å; T15-E18 WeakPolarHBondContact OG1-CB 3.25Å; T15-E18 WeakPolarHBondContact OG1-CG 3.44Å; T15-E18 PolarHBondContact OG1-N 3.07Å; T15-E18 VanDerWaalsContact OG1-N 3.16Å; T15-E18 PolarHBondContact OG1-OE2 3.14Å; T15-I19 WeakPolarHBondContact O-CG1 3.45Å; T15-I19 PolarHBondContact O-N 2.68Å; T15-E84 CarbonylContact C-O 3.52Å; T15-E84 WeakPolarHBondContact CA-O 3.32Å
16R92.4Very high95.5Very high0 Ų033 Ų330%016%0.156CC..Hα-helixtrans-56.9-32.8173.8-176.2176.1-74.8125.3-2.6111.5I19 F20 D43 G44 V80 D81 I82 E84R16-I19 PolarHBondContact O-N 3.11Å; R16-F20 HydrophobicContact CG-CD2 3.9Å; R16-F20 HydrophobicContact CG-CE2 3.59Å; R16-F20 HydrophobicContact CG-CZ 4.32Å; R16-F20 VanDerWaalsContact O-CD2 3.28Å; R16-F20 WeakPolarHBondContact O-CD2 3.42Å; R16-F20 PolarHBondContact O-N 2.95Å; R16-D43 PolarHBondContact NE-O 2.98Å; R16-D43 PolarHBondContact NH2-O 3.35Å; R16-D43 VanDerWaalsContact NH2-O 3.07Å; R16-G44 PolarHBondContact NH2-O 3.03Å; R16-V80 VanDerWaalsContact CZ-CG1 3.44Å; R16-D81 WeakPolarHBondContact CD-O 3.43Å; R16-D81 PolarHBondContact NH1-O 3.48Å; R16-I82 PolarHBondContact N-O 3.33Å; R16-E84 IonicContact CZ-OE2 3.29Å; R16-E84 PolarHBondContact N-O 2.97Å; R16-E84 IonicContact NH1-OE2 3.14Å; R16-E84 PolarHBondContact NH1-OE2 3.13Å; R16-E84 IonicContact NH2-OE2 3.76Å; R16-E84 PolarHBondContact NH2-OE2 2.92Å
17K93.7Very high95.4Very high87 Ų8733 Ų3338%0.37816%0.156SC..Hα-helixtrans-58.8-53.4171-174.5179.8175.8-174.50112.6T15 I19 F20 E21 I82T15-K17 PolarHBondContact O-N 2.99Å; K17-I19 PolarHBondContact O-N 3.33Å; K17-F20 PolarHBondContact O-N 2.79Å; K17-F20 VanDerWaalsContact O-N 3.15Å; K17-E21 WeakPolarHBondContact CE-OE1 3.34Å; K17-E21 WeakPolarHBondContact O-CG 3.49Å; K17-E21 PolarHBondContact O-N 3.29Å; K17-I82 HydrophobicContact CB-CB 4.38Å; K17-I82 WeakPolarHBondContact CB-O 3.3Å; K17-I82 PolarHBondContact N-O 2.87Å
18E95.9Very high95.1Very high74 Ų7437 Ų3735%0.34618%0.176SC..Hα-helixtrans-60.5-35.5178.1-72.5165.3139.300112.1R14 T15 T22R14-E18 WeakPolarHBondContact CA-OE2 3.34Å; T15-E18 PolarHBondContact N-OE2 2.94Å; T15-E18 PolarHBondContact O-N 3.37Å; T15-E18 VanDerWaalsContact O-N 3.07Å; T15-E18 WeakPolarHBondContact OG1-CB 3.25Å; T15-E18 WeakPolarHBondContact OG1-CG 3.44Å; T15-E18 PolarHBondContact OG1-N 3.07Å; T15-E18 VanDerWaalsContact OG1-N 3.16Å; T15-E18 PolarHBondContact OG1-OE2 3.14Å; E18-T22 WeakPolarHBondContact O-CB 3.49Å; E18-T22 PolarHBondContact O-N 2.83Å; E18-T22 PolarHBondContact O-OG1 2.77Å
19I96.1Very high94.9Very high0 Ų039.4 Ų39.40%019%0.185CC..Hα-helixtrans-64.3-48.9174.6-68161000110.4Y7 R14 T15 R16 K17 E21 T22 L23 V42 L86 H89Y7-I19 HydrophobicContact CE1-CG1 4.26Å; R14-I19 HydrophobicContact CB-CD1 4.12Å; R14-I19 HydrophobicContact CB-CG1 3.87Å; T15-I19 WeakPolarHBondContact O-CG1 3.45Å; T15-I19 PolarHBondContact O-N 2.68Å; R16-I19 PolarHBondContact O-N 3.11Å; K17-I19 PolarHBondContact O-N 3.33Å; I19-E21 PolarHBondContact O-N 3.26Å; I19-T22 PolarHBondContact O-N 3.28Å; I19-L23 HydrophobicContact CG2-CD1 4.16Å; I19-L23 HydrophobicContact CG2-CG 4.41Å; I19-L23 WeakPolarHBondContact O-CG 3.48Å; I19-L23 PolarHBondContact O-N 3.26Å; I19-V42 HydrophobicContact CG2-CG1 4.5Å; I19-L86 HydrophobicContact CD1-CB 4.3Å; I19-L86 HydrophobicContact CD1-CD1 3.95Å; I19-H89 HydrophobicContact CD1-CB 3.98Å
20F95.8Very high94.7Very high1 Ų139.4 Ų39.40%0.00419%0.185CC..Hα-helixtrans-60.7-43.8176.3-78.2-50.5000112.2R16 K17 T22 L23 V24 V40 V42 I61 I74 V80R16-F20 HydrophobicContact CG-CD2 3.9Å; R16-F20 HydrophobicContact CG-CE2 3.59Å; R16-F20 HydrophobicContact CG-CZ 4.32Å; R16-F20 VanDerWaalsContact O-CD2 3.28Å; R16-F20 WeakPolarHBondContact O-CD2 3.42Å; R16-F20 PolarHBondContact O-N 2.95Å; K17-F20 PolarHBondContact O-N 2.79Å; K17-F20 VanDerWaalsContact O-N 3.15Å; F20-T22 VanDerWaalsContact C-N 3.28Å; F20-T22 PolarHBondContact O-N 3.09Å; F20-L23 PolarHBondContact O-N 3.23Å; F20-V24 WeakPolarHBondContact O-CB 3.45Å; F20-V24 VanDerWaalsContact O-CG2 3.29Å; F20-V24 WeakPolarHBondContact O-CG2 3.36Å; F20-V24 PolarHBondContact O-N 2.72Å; F20-V40 HydrophobicContact CD1-CG2 4.45Å; F20-V40 HydrophobicContact CE1-CG2 4.06Å; F20-V42 HydrophobicContact CD1-CG1 4.15Å; F20-V42 HydrophobicContact CE1-CB 4.32Å; F20-V42 HydrophobicContact CE1-CG1 3.61Å; F20-V42 HydrophobicContact CE1-CG2 3.74Å; F20-V42 HydrophobicContact CZ-CG1 4.24Å; F20-V42 HydrophobicContact CZ-CG2 3.59Å; F20-I61 HydrophobicContact CE1-CD1 4.32Å; F20-I61 HydrophobicContact CZ-CD1 4.1Å; F20-I74 HydrophobicContact CB-CG2 4.09Å; F20-I74 HydrophobicContact CD1-CD1 4.19Å; F20-I74 HydrophobicContact CD1-CG1 4.49Å; F20-I74 HydrophobicContact CD1-CG2 3.84Å; F20-I74 HydrophobicContact CD2-CG2 3.72Å; F20-I74 HydrophobicContact CE1-CG2 4.12Å; F20-I74 HydrophobicContact CE2-CG2 3.98Å; F20-I74 HydrophobicContact CG-CG2 3.64Å; F20-I74 HydrophobicContact CZ-CG2 4.17Å; F20-V80 HydrophobicContact CZ-CG2 4.42Å
21E95.8Very high94.6Very high69 Ų6939 Ų3932%0.32219%0.185SC..Hα-helixtrans-58.6-41.4175.6-72.3178.5-176.800111.6K17 I19 R25K17-E21 WeakPolarHBondContact CE-OE1 3.34Å; K17-E21 WeakPolarHBondContact O-CG 3.49Å; K17-E21 PolarHBondContact O-N 3.29Å; I19-E21 PolarHBondContact O-N 3.26Å; E21-R25 WeakPolarHBondContact O-CB 3.38Å; E21-R25 PolarHBondContact O-N 3.32Å
22T97.4Very high94.1Very high20 Ų2035.7 Ų35.712%0.12317%0.169CC..Hα-helixtrans-64.8-47.2177-57.70000111.4F5 Y7 E18 I19 F20 R25 G26 Y263F5-T22 HydrophobicContact CE1-CG2 4.17Å; F5-T22 WeakPolarHBondContact CE1-O 3.37Å; F5-T22 HydrophobicContact CZ-CG2 4.24Å; Y7-T22 HydrophobicContact CD1-CG2 3.93Å; Y7-T22 HydrophobicContact CD2-CG2 4.28Å; Y7-T22 HydrophobicContact CE1-CG2 4.33Å; Y7-T22 HydrophobicContact CG-CG2 3.88Å; E18-T22 WeakPolarHBondContact O-CB 3.49Å; E18-T22 PolarHBondContact O-N 2.83Å; E18-T22 PolarHBondContact O-OG1 2.77Å; I19-T22 PolarHBondContact O-N 3.28Å; F20-T22 VanDerWaalsContact C-N 3.28Å; F20-T22 PolarHBondContact O-N 3.09Å; T22-R25 PolarHBondContact O-N 3.29Å; T22-G26 PolarHBondContact O-N 2.9Å; T22-Y263 HydrophobicContact CG2-CE1 4.34Å
23L97.6Very high93.7Very high0 Ų035.5 Ų35.50%017%0.166CC..Hα-helixtrans-62.2-48.1178.1-67.8178.6000112.1F5 I19 F20 R25 G26 L27 V40 V42 A93F5-L23 HydrophobicContact CD1-CD2 3.99Å; F5-L23 HydrophobicContact CE1-CD2 4.15Å; I19-L23 HydrophobicContact CG2-CD1 4.16Å; I19-L23 HydrophobicContact CG2-CG 4.41Å; I19-L23 WeakPolarHBondContact O-CG 3.48Å; I19-L23 PolarHBondContact O-N 3.26Å; F20-L23 PolarHBondContact O-N 3.23Å; L23-R25 PolarHBondContact O-N 3.04Å; L23-G26 PolarHBondContact O-N 3.24Å; L23-L27 WeakPolarHBondContact O-CG 3.43Å; L23-L27 PolarHBondContact O-N 2.77Å; L23-V40 HydrophobicContact CB-CG1 4.23Å; L23-V40 HydrophobicContact CD1-CB 4.4Å; L23-V40 HydrophobicContact CD1-CG1 4.21Å; L23-V42 HydrophobicContact CD1-CG1 3.88Å; L23-A93 HydrophobicContact CB-CB 4.01Å; L23-A93 HydrophobicContact CD2-CB 4.04Å; L23-A93 HydrophobicContact CG-CB 4.45Å
24V96.7Very high93.3Very high3 Ų332.3 Ų32.32%0.01815%0.145CC..Hα-helixtrans-63-42.9179170.40000110.7F20 G26 L27 L28 V67 E71 I74F20-V24 WeakPolarHBondContact O-CB 3.45Å; F20-V24 VanDerWaalsContact O-CG2 3.29Å; F20-V24 WeakPolarHBondContact O-CG2 3.36Å; F20-V24 PolarHBondContact O-N 2.72Å; V24-G26 PolarHBondContact O-N 3.31Å; V24-L27 PolarHBondContact O-N 3.31Å; V24-L27 VanDerWaalsContact O-N 3.15Å; V24-L28 HydrophobicContact CG1-CD1 4.28Å; V24-L28 WeakPolarHBondContact O-CG 3.38Å; V24-L28 PolarHBondContact O-N 3.32Å; V24-V67 HydrophobicContact CG1-CG1 4.06Å; V24-E71 HydrophobicContact CG1-CB 4.13Å; V24-E71 HydrophobicContact CG1-CG 4.17Å; V24-I74 HydrophobicContact CG2-CD1 3.6Å
25R95.3Very high92.9Very high116 Ų11630.5 Ų30.544%0.43814%0.138SC..Hα-helixtrans-63-42.6177.3-165179.9-64.1165.47.4111.7E21 T22 L23 L27 L28 R29 E273E21-R25 WeakPolarHBondContact O-CB 3.38Å; E21-R25 PolarHBondContact O-N 3.32Å; T22-R25 PolarHBondContact O-N 3.29Å; L23-R25 PolarHBondContact O-N 3.04Å; R25-L27 VanDerWaalsContact C-N 3.32Å; R25-L27 PolarHBondContact O-N 2.93Å; R25-L28 WeakPolarHBondContact O-CB 3.49Å; R25-L28 PolarHBondContact O-N 2.88Å; R25-R29 WeakPolarHBondContact O-CG 3.4Å; R25-R29 PolarHBondContact O-N 3.19Å; R25-R29 VanDerWaalsContact O-N 3.15Å; R25-E273 WeakPolarHBondContact CD-OE1 3.07Å; R25-E273 WeakPolarHBondContact CG-OE1 3.39Å
26G95.8Very high92.7Very high0 Ų030.4 Ų30.40%014%0.136CC..Hα-helixtrans-56.5-43.7171.500000112.5T22 L23 V24 R29 L30T22-G26 PolarHBondContact O-N 2.9Å; L23-G26 PolarHBondContact O-N 3.24Å; V24-G26 PolarHBondContact O-N 3.31Å; G26-R29 WeakPolarHBondContact O-CB 3.43Å; G26-R29 PolarHBondContact O-N 3.17Å; G26-L30 WeakPolarHBondContact O-CG 3.27Å; G26-L30 PolarHBondContact O-N 2.91Å
27L96.1Very high92.7Very high0 Ų030.4 Ų30.40%014%0.136CC..Hα-helixtrans-65.9-38.6175.4-65.2-170.5000113.5F5 L23 V24 R25 R29 L30 E31 A38 V67 L70 A93 T95F5-L27 HydrophobicContact CB-CD2 4.29Å; L23-L27 WeakPolarHBondContact O-CG 3.43Å; L23-L27 PolarHBondContact O-N 2.77Å; V24-L27 PolarHBondContact O-N 3.31Å; V24-L27 VanDerWaalsContact O-N 3.15Å; R25-L27 VanDerWaalsContact C-N 3.32Å; R25-L27 PolarHBondContact O-N 2.93Å; L27-R29 PolarHBondContact O-N 3Å; L27-L30 CarbonylContact O-C 3.57Å; L27-L30 WeakPolarHBondContact O-CA 3.3Å; L27-L30 PolarHBondContact O-N 3.04Å; L27-E31 PolarHBondContact O-N 3.48Å; L27-A38 HydrophobicContact CD1-CB 4.26Å; L27-V67 HydrophobicContact CB-CG1 3.82Å; L27-V67 HydrophobicContact CB-CG2 3.85Å; L27-L70 HydrophobicContact CD1-CD2 3.8Å; L27-A93 HydrophobicContact CD1-CB 3.93Å; L27-A93 HydrophobicContact CD2-CB 3.65Å; L27-A93 HydrophobicContact CG-CB 3.73Å; L27-T95 HydrophobicContact CB-CG2 3.91Å; L27-T95 HydrophobicContact CD1-CG2 4.26Å; L27-T95 HydrophobicContact CD2-CG2 3.92Å; L27-T95 HydrophobicContact CG-CG2 4.24Å
28L93.5Very high92.9Very high84 Ų8426.3 Ų26.344%0.4412%0.119SC..Hα-helixtrans-60.2-34175.1-71.8169.5000111.6V24 R25 L30 V67V24-L28 HydrophobicContact CG1-CD1 4.28Å; V24-L28 WeakPolarHBondContact O-CG 3.38Å; V24-L28 PolarHBondContact O-N 3.32Å; R25-L28 WeakPolarHBondContact O-CB 3.49Å; R25-L28 PolarHBondContact O-N 2.88Å; L28-L30 PolarHBondContact O-N 3.46Å; L28-V67 HydrophobicContact CD2-CB 3.96Å; L28-V67 HydrophobicContact CD2-CG1 3.9Å; L28-V67 HydrophobicContact CG-CG1 3.96Å
29R92.4Very high93Very high52 Ų5222.8 Ų22.820%0.19610%0.102CC..THydrogen-bonded Turntrans-71.2-13.8173.2-59.5-53.7-175.3179.4-0.2114R25 G26 L27 Y32 S269 A270 E273R25-R29 WeakPolarHBondContact O-CG 3.4Å; R25-R29 PolarHBondContact O-N 3.19Å; R25-R29 VanDerWaalsContact O-N 3.15Å; G26-R29 WeakPolarHBondContact O-CB 3.43Å; G26-R29 PolarHBondContact O-N 3.17Å; L27-R29 PolarHBondContact O-N 3Å; R29-Y32 WeakPolarHBondContact O-CD1 3.42Å; R29-Y32 WeakPolarHBondContact O-CE1 3.46Å; R29-S269 WeakPolarHBondContact CG-O 3.34Å; R29-S269 PolarHBondContact O-OG 3.02Å; R29-A270 HydrophobicContact CB-CB 4.08Å; R29-E273 IonicContact CZ-OE2 3.71Å; R29-E273 IonicContact NE-OE2 2.93Å; R29-E273 PolarHBondContact NE-OE2 2.61Å; R29-E273 IonicContact NH2-OE2 4Å; R29-E273 PolarHBondContact NH2-OE2 3.09Å
30L92.9Very high93Very high0 Ų022.8 Ų22.80%010%0.102CC..THydrogen-bonded Turntrans-114.4-3-178.3-59.4174.6000113I4 F5 G26 L27 L28 Y32 R33 D267 A270I4-L30 WeakPolarHBondContact O-CD1 3.42Å; F5-L30 HydrophobicContact CB-CD1 3.99Å; G26-L30 WeakPolarHBondContact O-CG 3.27Å; G26-L30 PolarHBondContact O-N 2.91Å; L27-L30 CarbonylContact O-C 3.57Å; L27-L30 WeakPolarHBondContact O-CA 3.3Å; L27-L30 PolarHBondContact O-N 3.04Å; L28-L30 PolarHBondContact O-N 3.46Å; L30-Y32 PolarHBondContact O-N 3.27Å; L30-R33 VanDerWaalsContact O-CB 3.31Å; L30-R33 WeakPolarHBondContact O-CB 3.48Å; L30-R33 PolarHBondContact O-N 2.95Å; L30-D267 HydrophobicContact CD2-CB 3.54Å; L30-A270 HydrophobicContact CD1-CB 4.06Å; L30-A270 HydrophobicContact CD2-CB 4Å; L30-A270 HydrophobicContact CG-CB 3.91Å
31E90.4Very high93.1Very high34 Ų3422.7 Ų22.716%0.15910%0.102CC..THydrogen-bonded Turntrans-59.5-33.1-175.8-171.6171-114.900111.9L27 R33 G34 Y35 K66 V67L27-E31 PolarHBondContact O-N 3.48Å; E31-R33 PolarHBondContact O-N 2.94Å; E31-R33 VanDerWaalsContact O-N 3.11Å; E31-G34 CarbonylContact O-C 3.53Å; E31-G34 PolarHBondContact O-N 3.37Å; E31-G34 VanDerWaalsContact O-N 3.13Å; E31-G34 VanDerWaalsContact O-O 3.1Å; E31-Y35 WeakPolarHBondContact O-CD1 3.44Å; E31-K66 WeakPolarHBondContact OE1-CB 3.41Å; E31-V67 HydrophobicContact CB-CG2 4.17Å; E31-V67 HydrophobicContact CG-CG2 4.12Å; E31-V67 WeakPolarHBondContact OE1-CB 3.33Å; E31-V67 WeakPolarHBondContact OE1-CG2 3.49Å; E31-V67 PolarHBondContact OE1-N 3.26Å
32Y82.9Confident93Very high18 Ų1819.5 Ų19.57%0.0719%0.087CC..THydrogen-bonded Turntrans-62-19.2175.577.8-95.3000113.8R29 L30 D267 I475 K681R29-Y32 WeakPolarHBondContact O-CD1 3.42Å; R29-Y32 WeakPolarHBondContact O-CE1 3.46Å; L30-Y32 PolarHBondContact O-N 3.27Å; Y32-D267 VanDerWaalsContact OH-CG 3.24Å; Y32-D267 PolarHBondContact OH-OD2 3.15Å; Y32-I475 WeakPolarHBondContact CB-O 3.3Å; Y32-I475 HydrophobicContact CD1-CD1 4.26Å; Y32-I475 HydrophobicContact CD1-CG2 3.91Å; Y32-I475 HydrophobicContact CE1-CD1 3.93Å; Y32-I475 HydrophobicContact CG-CG2 3.98Å; Y32-K681 HydrophobicContact CD2-CB 4.07Å; Y32-K681 HydrophobicContact CD2-CD 3.46Å; Y32-K681 VanDerWaalsContact CD2-CD 3.46Å; Y32-K681 HydrophobicContact CD2-CG 4.43Å; Y32-K681 HydrophobicContact CE2-CD 3.6Å
33R84.5Confident92.7Very high18 Ų1820.7 Ų20.77%0.0689%0.093CC..THydrogen-bonded Turntrans-82.9-40177.2-61.2-172.1151.5-138.2-7.1110.3M1 L30 E31 S266 D267 A680M1-R33 CarbonylContact C-O 3.57Å; M1-R33 PolarHBondContact N-O 2.72Å; M1-R33 CarbonylContact O-C 3.53Å; M1-R33 WeakPolarHBondContact O-CA 3.46Å; M1-R33 WeakPolarHBondContact O-CB 3.3Å; M1-R33 PolarHBondContact SD-NH1 3.48Å; L30-R33 VanDerWaalsContact O-CB 3.31Å; L30-R33 WeakPolarHBondContact O-CB 3.48Å; L30-R33 PolarHBondContact O-N 2.95Å; E31-R33 PolarHBondContact O-N 2.94Å; E31-R33 VanDerWaalsContact O-N 3.11Å; R33-S266 PolarHBondContact NH1-O 2.85Å; R33-D267 IonicContact CZ-OD2 2.71Å; R33-D267 IonicContact NE-OD2 3.96Å; R33-D267 PolarHBondContact NE-OD2 2.8Å; R33-D267 VanDerWaalsContact NE-OD2 3.13Å; R33-D267 IonicContact NH2-OD2 2.73Å; R33-D267 PolarHBondContact NH2-OD2 2.87Å; R33-A680 WeakPolarHBondContact O-CB 3.38Å
34G85.3Confident91.9Very high0 Ų021 Ų210%010%0.095CC..  trans-166.5145.1177.100000112.8E31 T95E31-G34 CarbonylContact O-C 3.53Å; E31-G34 PolarHBondContact O-N 3.37Å; E31-G34 VanDerWaalsContact O-N 3.13Å; E31-G34 VanDerWaalsContact O-O 3.1Å; G34-T95 WeakPolarHBondContact O-CB 3.47Å; G34-T95 PolarHBondContact O-OG1 3.26Å
35Y86.5Confident90.6Very high24 Ų2422.8 Ų22.89%0.09411%0.107CC..  trans-150.816.8-168.954-93.5000114.2E31 S37 G65 C675 P676 L679E31-Y35 WeakPolarHBondContact O-CD1 3.44Å; Y35-S37 VanDerWaalsContact C-N 3.33Å; Y35-G65 CarbonylContact O-C 3.4Å; Y35-C675 HydrophobicContact CD1-CB 4.36Å; Y35-C675 HydrophobicContact CE1-CB 4.02Å; Y35-C675 HydrophobicContact CE2-CB 4.27Å; Y35-P676 PolarHBondContact OH-O 2.88Å; Y35-L679 PolarHBondContact OH-O 3.17Å
36D88.9Confident88.9Confident38 Ų3821 Ų2120%0.20311%0.109CC..SBendtrans-73.1-31.5178-65-30.8000111.7G65 R96 W97 A98 P103D36-G65 WeakPolarHBondContact O-CA 3.24Å; D36-G65 PolarHBondContact O-N 3.49Å; D36-R96 WeakPolarHBondContact CB-O 3.49Å; D36-R96 PolarHBondContact N-O 2.89Å; D36-W97 WeakPolarHBondContact OD2-CA 3.46Å; D36-W97 VanDerWaalsContact OD2-CD1 3.3Å; D36-A98 PolarHBondContact OD2-N 3.06Å; D36-P103 HydrophobicContact CB-CB 3.99Å; D36-P103 HydrophobicContact CB-CG 3.91Å
37S93.9Very high86.8Confident0 Ų029.4 Ų29.40%015%0.146CC..EExtended strand (participates in β ladder)trans-163.4162.7174.966.10000111.4Y35 K63 G65 R96 S108Y35-S37 VanDerWaalsContact C-N 3.33Å; S37-K63 WeakPolarHBondContact CA-O 3.36Å; S37-K63 WeakPolarHBondContact CB-O 3.49Å; S37-G65 VanDerWaalsContact CA-O 3.28Å; S37-G65 WeakPolarHBondContact CA-O 3.32Å; S37-R96 PolarHBondContact N-O 3.1Å; S37-R96 PolarHBondContact O-N 3.2Å; S37-S108 WeakPolarHBondContact CB-OG 3.49Å; S37-S108 PolarHBondContact OG-OG 3.11Å
38A97.1Very high84.3Confident1 Ų134.7 Ų34.71%0.00818%0.178CC..EExtended strand (participates in β ladder)trans-145.9161.6177.700000112L27 K63 L70 H94 T95L27-A38 HydrophobicContact CD1-CB 4.26Å; A38-K63 PolarHBondContact N-O 3.45Å; A38-K63 PolarHBondContact O-N 2.77Å; A38-L70 HydrophobicContact CB-CB 4.25Å; A38-L70 HydrophobicContact CB-CD2 3.71Å; A38-H94 CarbonylContact C-O 3.48Å; A38-H94 WeakPolarHBondContact CA-O 3.41Å; A38-H94 WeakPolarHBondContact CB-O 3.29Å; A38-T95 HydrophobicContact CB-CG2 4.2Å
39G97.4Very high81.8Confident0 Ų034.8 Ų34.80%018%0.182CC..EExtended strand (participates in β ladder)trans-163165.4175.100000114.6I61 A93 H94 H109G39-I61 CarbonylContact C-O 3.59Å; G39-I61 WeakPolarHBondContact CA-O 3.44Å; G39-A93 CarbonylContact O-C 3.57Å; G39-A93 WeakPolarHBondContact O-CA 3.46Å; G39-H94 PolarHBondContact N-O 3.08Å; G39-H94 PolarHBondContact O-N 3.25Å; G39-H109 WeakPolarHBondContact CA-O 3.2Å
40V97.6Very high79.4Confident0 Ų039.2 Ų39.20%022%0.215CC..EExtended strand (participates in β ladder)trans-133.3152.9178.3-670000112.3F20 L23 L60 I61 L70 I74 L92 A93F20-V40 HydrophobicContact CD1-CG2 4.45Å; F20-V40 HydrophobicContact CE1-CG2 4.06Å; L23-V40 HydrophobicContact CB-CG1 4.23Å; L23-V40 HydrophobicContact CD1-CB 4.4Å; L23-V40 HydrophobicContact CD1-CG1 4.21Å; V40-L60 WeakPolarHBondContact O-CA 3.34Å; V40-I61 HydrophobicContact CG2-CB 3.91Å; V40-I61 PolarHBondContact N-O 2.88Å; V40-I61 PolarHBondContact O-N 3.11Å; V40-L70 HydrophobicContact CG1-CD2 4.2Å; V40-I74 HydrophobicContact CG2-CD1 4.06Å; V40-I74 HydrophobicContact CG2-CG1 4.27Å; V40-L92 CarbonylContact C-O 3.49Å; V40-L92 WeakPolarHBondContact CA-O 3.5Å; V40-L92 WeakPolarHBondContact CB-O 3.26Å; V40-A93 HydrophobicContact CG1-CB 3.82Å
41A96.2Very high76.9Confident0 Ų044.1 Ų44.10%024%0.241CC..EExtended strand (participates in β ladder)trans-123.8128.3165.500000110.8I58 C59 L60 G91 L92 P110 V120A41-I58 HydrophobicContact CB-CG2 4.13Å; A41-C59 WeakPolarHBondContact CA-O 3.37Å; A41-L60 HydrophobicContact CB-CD2 3.42Å; A41-L60 VanDerWaalsContact CB-CD2 3.42Å; A41-G91 WeakPolarHBondContact O-CA 3.3Å; A41-L92 HydrophobicContact CB-CB 4.13Å; A41-L92 HydrophobicContact CB-CG 4.45Å; A41-L92 PolarHBondContact N-O 3.47Å; A41-L92 PolarHBondContact O-N 3.42Å; A41-P110 HydrophobicContact CB-CB 4.36Å; A41-P110 HydrophobicContact CB-CG 3.82Å; A41-V120 HydrophobicContact CB-CG2 4.08Å
42V94.3Very high74.6Confident1 Ų150.3 Ų50.31%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-136165.8176.2-62.40000110.3I19 F20 L23 G44 C59 K191I19-V42 HydrophobicContact CG2-CG1 4.5Å; F20-V42 HydrophobicContact CD1-CG1 4.15Å; F20-V42 HydrophobicContact CE1-CB 4.32Å; F20-V42 HydrophobicContact CE1-CG1 3.61Å; F20-V42 HydrophobicContact CE1-CG2 3.74Å; F20-V42 HydrophobicContact CZ-CG1 4.24Å; F20-V42 HydrophobicContact CZ-CG2 3.59Å; L23-V42 HydrophobicContact CD1-CG1 3.88Å; V42-G44 PolarHBondContact O-N 3.08Å; V42-C59 HydrophobicContact CG2-CB 4.22Å; V42-C59 PolarHBondContact N-O 2.94Å; V42-C59 PolarHBondContact O-N 3.11Å; V42-K191 VanDerWaalsContact C-NZ 3.29Å
43D91Very high72.7Confident46 Ų4657.1 Ų57.125%0.24631%0.312CS..EExtended strand (participates in β ladder)trans-65.3132.9171.2-60-26.8000110.1R16 S57 H89 K191R16-D43 PolarHBondContact NE-O 2.98Å; R16-D43 PolarHBondContact NH2-O 3.35Å; R16-D43 VanDerWaalsContact NH2-O 3.07Å; D43-S57 WeakPolarHBondContact CA-O 2.85Å; D43-H89 PolarHBondContact N-NE2 3.06Å; D43-H89 IonicContact OD2-CD2 2.7Å; D43-H89 PolarHBondContact OD2-CD2 3.16Å; D43-H89 IonicContact OD2-CG 3.11Å; D43-H89 IonicContact OD2-NE2 2.76Å; D43-K191 WeakPolarHBondContact OD1-CE 3.43Å; D43-K191 IonicContact OD1-NZ 2.7Å; D43-K191 PolarHBondContact OD1-NZ 3.26Å
44G80.9Confident71Confident5 Ų560.4 Ų60.45%0.05233%0.332CS..  trans-74.4176.8-179.900000113R16 V42 S57R16-G44 PolarHBondContact NH2-O 3.03Å; V42-G44 PolarHBondContact O-N 3.08Å; G44-S57 WeakPolarHBondContact CA-OG 3.4Å; G44-S57 PolarHBondContact N-O 3.12Å
45P69Low69.6Low41 Ų4165.5 Ų65.527%0.26636%0.359SS..  trans-68.2136.2-175.526.7-30.3000111.4K47P45-K47 VanDerWaalsContact C-N 3.27Å; P45-K47 PolarHBondContact O-N 3.49Å
46T60.1Low69Low78 Ų7868 Ų6848%0.47937%0.374SS..THydrogen-bonded Turntrans-74.5-6.6-177.8390000114.4E84T46-E84 WeakPolarHBondContact CG2-OE1 3.49Å; T46-E84 PolarHBondContact OG1-OE1 3.39Å
47K52Low68.9Low177 Ų17768.3 Ų68.377%0.7738%0.379SS*.THydrogen-bonded Turntrans-112.98.2-161.9-71.7-176.5-178.3167.50117.8P45P45-K47 VanDerWaalsContact C-N 3.27Å; P45-K47 PolarHBondContact O-N 3.49Å
48T42.8Very low68.9Low111 Ų11168.8 Ų68.868%0.68138%0.381SS*.SBendtrans-119.217.8-168.649.30000117.4
49T40.9Very low68.7Low87 Ų8770 Ų7053%0.53439%0.389SS..  trans-129.2131.1168.350.60000112.2D51T49-D51 PolarHBondContact O-N 2.82Å; T49-D51 VanDerWaalsContact O-N 3.17Å
50T42.1Very low68.6Low145 Ų14571.7 Ų71.789%0.8940%0.398SS*.SBendtrans-684.2167.540.60000112.9
51D41.5Very low68.5Low102 Ų10271.8 Ų71.855%0.54540%0.399SS..  trans-94.399175.6-77.7-25.9000109.7T49 N53 N54T49-D51 PolarHBondContact O-N 2.82Å; T49-D51 VanDerWaalsContact O-N 3.17Å; D51-N53 PolarHBondContact O-N 3.34Å; D51-N54 PolarHBondContact O-N 3.08Å
52L41.6Very low68.5Low164 Ų16473.4 Ų73.486%0.85941%0.406SS*.THydrogen-bonded Turntrans-55.8-2.2173-78.1145.5000114.7
53N43.8Very low68.5Low161 Ų16177.1 Ų77.186%0.86142%0.422SS*.THydrogen-bonded Turntrans-109.2-0.6-176.1-73.2-13.7000114.8D51D51-N53 PolarHBondContact O-N 3.34Å
54N48.5Very low68.7Low88 Ų8880.7 Ų80.747%0.47144%0.435SS..  trans-134.849.3-168.8-131.8-2.9000114.5D51 N56D51-N54 PolarHBondContact O-N 3.08Å; N54-N56 VanDerWaalsContact C-N 3.26Å; N54-N56 PolarHBondContact O-N 3.38Å
55N56.5Low69.3Low107 Ų10781.7 Ų81.757%0.57245%0.445SS*.  trans-71.9-7.7-175.2-74.5-12.2000115.6
56N73.2Confident70.3Confident76 Ų7683.5 Ų83.541%0.40645%0.449SS..  trans-110.186.8-173.7-64.6-6.4000111.1N54 R193N54-N56 VanDerWaalsContact C-N 3.26Å; N54-N56 PolarHBondContact O-N 3.38Å; N56-R193 HydrophobicContact CB-CB 4.2Å; N56-R193 PolarHBondContact ND2-O 3.15Å; N56-R193 WeakPolarHBondContact O-CB 3.3Å
57S87.3Confident72Confident45 Ų4579.8 Ų79.832%0.31543%0.426SS..  trans-101.1150.8173.469.80000111.5D43 G44D43-S57 WeakPolarHBondContact CA-O 2.85Å; G44-S57 WeakPolarHBondContact CA-OG 3.4Å; G44-S57 PolarHBondContact N-O 3.12Å
58I93Very high73.9Confident9 Ų977.5 Ų77.55%0.04642%0.416CS..EExtended strand (participates in β ladder)trans-112.6128.3173.8-61.5179.7000108.5A41 L60 N117 V120 K191A41-I58 HydrophobicContact CB-CG2 4.13Å; I58-L60 HydrophobicContact CG2-CD2 4.26Å; I58-N117 HydrophobicContact CB-CB 4.02Å; I58-N117 HydrophobicContact CG2-CB 4.37Å; I58-N117 PolarHBondContact O-ND2 3.13Å; I58-V120 HydrophobicContact CD1-CG2 4.17Å; I58-V120 HydrophobicContact CG2-CG1 4.28Å; I58-V120 HydrophobicContact CG2-CG2 4.32Å; I58-K191 HydrophobicContact CD1-CD 4.22Å; I58-K191 HydrophobicContact CD1-CG 3.99Å
59C93.2Very high76.3Confident26 Ų2673.6 Ų73.618%0.17640%0.395CS..EExtended strand (participates in β ladder)trans-98.5131.1173.8-174.50000110.3A41 V42A41-C59 WeakPolarHBondContact CA-O 3.37Å; V42-C59 HydrophobicContact CG2-CB 4.22Å; V42-C59 PolarHBondContact N-O 2.94Å; V42-C59 PolarHBondContact O-N 3.11Å
60L94.9Very high78.9Confident37 Ų3769.5 Ų69.519%0.19437%0.37CS..EExtended strand (participates in β ladder)trans-111.8129.9175.5-62.8-178.2000110V40 A41 I58 P110 R112 V120V40-L60 WeakPolarHBondContact O-CA 3.34Å; A41-L60 HydrophobicContact CB-CD2 3.42Å; A41-L60 VanDerWaalsContact CB-CD2 3.42Å; I58-L60 HydrophobicContact CG2-CD2 4.26Å; L60-P110 HydrophobicContact CD2-CB 4.1Å; L60-P110 HydrophobicContact CD2-CG 4.27Å; L60-R112 HydrophobicContact CD1-CB 4.07Å; L60-R112 HydrophobicContact CD1-CG 4.45Å; L60-V120 HydrophobicContact CD1-CG1 4.37Å; L60-V120 HydrophobicContact CD2-CG1 4.14Å
61I95.4Very high81.4Confident2 Ų266 Ų661%0.0134%0.343CS..EExtended strand (participates in β ladder)trans-126.3118174.4-54.9173.9000107.2F20 G39 V40 L70 E73 I74F20-I61 HydrophobicContact CE1-CD1 4.32Å; F20-I61 HydrophobicContact CZ-CD1 4.1Å; G39-I61 CarbonylContact C-O 3.59Å; G39-I61 WeakPolarHBondContact CA-O 3.44Å; V40-I61 HydrophobicContact CG2-CB 3.91Å; V40-I61 PolarHBondContact N-O 2.88Å; V40-I61 PolarHBondContact O-N 3.11Å; I61-L70 HydrophobicContact CG2-CD1 4Å; I61-L70 WeakPolarHBondContact O-CD1 3.36Å; I61-E73 HydrophobicContact CG2-CB 4.35Å; I61-E73 HydrophobicContact CG2-CG 3.77Å; I61-I74 HydrophobicContact CD1-CG1 4.17Å; I61-I74 HydrophobicContact CG2-CG1 4.08Å
62K96.1Very high83.8Confident34 Ų3466.6 Ų66.615%0.14834%0.343CS..EExtended strand (participates in β ladder)trans-135.3138.7-173.3-56.5-166.8-71.6173.50110.3A105 L106 S108 P110K62-A105 HydrophobicContact CB-CB 4.35Å; K62-A105 WeakPolarHBondContact CE-O 3.4Å; K62-A105 PolarHBondContact NZ-O 3.22Å; K62-A105 VanDerWaalsContact NZ-O 3.13Å; K62-L106 PolarHBondContact NZ-O 2.93Å; K62-S108 VanDerWaalsContact CD-O 3.25Å; K62-S108 WeakPolarHBondContact CD-O 3.44Å; K62-S108 PolarHBondContact NZ-O 3.26Å; K62-P110 PolarHBondContact NZ-O 3.41Å
63K95.6Very high86.2Confident78 Ų7859.5 Ų59.534%0.33931%0.306SS..EExtended strand (participates in β ladder)trans-143.7140.2-178.6-159.873171.3-164.50111.6S37 A38 A69 L70 E73S37-K63 WeakPolarHBondContact CA-O 3.36Å; S37-K63 WeakPolarHBondContact CB-O 3.49Å; A38-K63 PolarHBondContact N-O 3.45Å; A38-K63 PolarHBondContact O-N 2.77Å; K63-A69 HydrophobicContact CG-CB 4.08Å; K63-L70 HydrophobicContact CB-CB 4.34Å; K63-L70 HydrophobicContact CB-CD1 4.32Å; K63-E73 HydrophobicContact CD-CB 4.23Å; K63-E73 HydrophobicContact CD-CG 4.06Å; K63-E73 WeakPolarHBondContact CE-OE2 3.45Å; K63-E73 HydrophobicContact CG-CB 4.49Å; K63-E73 IonicContact NZ-OE2 2.7Å; K63-E73 PolarHBondContact NZ-OE2 2.98Å
64K95.2Very high88.4Confident122 Ų12252.1 Ų52.153%0.5327%0.266SS..EExtended strand (participates in β ladder)trans-71.3140.8167.1-178-177.2-176148.20109.9P103K64-P103 WeakPolarHBondContact CD-O 3.31Å; K64-P103 VanDerWaalsContact CE-O 3.24Å; K64-P103 WeakPolarHBondContact CE-O 3.35Å; K64-P103 HydrophobicContact CG-CB 4.35Å; K64-P103 PolarHBondContact NZ-O 2.94Å
65G91.6Very high90.2Very high25 Ų2552.2 Ų52.226%0.25826%0.26SS..SBendtrans104.3-169.5179.300000113.5Y35 D36 S37Y35-G65 CarbonylContact O-C 3.4Å; D36-G65 WeakPolarHBondContact O-CA 3.24Å; D36-G65 PolarHBondContact O-N 3.49Å; S37-G65 VanDerWaalsContact CA-O 3.28Å; S37-G65 WeakPolarHBondContact CA-O 3.32Å
66K91.8Very high91.4Very high79 Ų7951.5 Ų51.534%0.34325%0.254SS..SBendtrans-62.1163.7-179.8-66.9-165.5175.3-164.80112.5E31 K68 A69 D672E31-K66 WeakPolarHBondContact OE1-CB 3.41Å; K66-K68 PolarHBondContact O-N 2.75Å; K66-K68 VanDerWaalsContact O-N 3.15Å; K66-A69 WeakPolarHBondContact O-CB 3.47Å; K66-A69 PolarHBondContact O-N 3.29Å; K66-D672 IonicContact NZ-OD2 2.9Å; K66-D672 PolarHBondContact NZ-OD2 3.2Å
67V94.1Very high90.8Very high1 Ų156.7 Ų56.71%0.00627%0.272CS..Hα-helixtrans-56.9-33.9-178.6178.10000111.8V24 L27 L28 E31 A69 L70 E71 T95V24-V67 HydrophobicContact CG1-CG1 4.06Å; L27-V67 HydrophobicContact CB-CG1 3.82Å; L27-V67 HydrophobicContact CB-CG2 3.85Å; L28-V67 HydrophobicContact CD2-CB 3.96Å; L28-V67 HydrophobicContact CD2-CG1 3.9Å; L28-V67 HydrophobicContact CG-CG1 3.96Å; E31-V67 HydrophobicContact CB-CG2 4.17Å; E31-V67 HydrophobicContact CG-CG2 4.12Å; E31-V67 WeakPolarHBondContact OE1-CB 3.33Å; E31-V67 WeakPolarHBondContact OE1-CG2 3.49Å; E31-V67 PolarHBondContact OE1-N 3.26Å; V67-A69 VanDerWaalsContact C-N 3.27Å; V67-A69 PolarHBondContact O-N 2.81Å; V67-L70 WeakPolarHBondContact O-CA 3.3Å; V67-L70 WeakPolarHBondContact O-CB 3.5Å; V67-L70 PolarHBondContact O-N 3.12Å; V67-E71 PolarHBondContact O-N 3.44Å; V67-T95 HydrophobicContact CG2-CG2 3.55Å
68K93.2Very high89.8Confident129 Ų12962.5 Ų62.556%0.56130%0.3SS*.Hα-helixtrans-56.3-38.2174.5-173.6175.9179-179.90113.4K66 L70 E71 E72K66-K68 PolarHBondContact O-N 2.75Å; K66-K68 VanDerWaalsContact O-N 3.15Å; K68-L70 VanDerWaalsContact C-N 3.29Å; K68-L70 PolarHBondContact O-N 3.24Å; K68-E71 WeakPolarHBondContact O-CB 3.43Å; K68-E71 PolarHBondContact O-N 2.96Å; K68-E72 WeakPolarHBondContact CE-OE1 3.37Å; K68-E72 WeakPolarHBondContact O-CG 3.45Å; K68-E72 PolarHBondContact O-N 3.46Å
69A93.4Very high88.6Confident28 Ų2867 Ų6723%0.23132%0.316CS..Hα-helixtrans-68.2-32177.900000111.9K63 K66 V67 E73K63-A69 HydrophobicContact CG-CB 4.08Å; K66-A69 WeakPolarHBondContact O-CB 3.47Å; K66-A69 PolarHBondContact O-N 3.29Å; V67-A69 VanDerWaalsContact C-N 3.27Å; V67-A69 PolarHBondContact O-N 2.81Å; A69-E73 WeakPolarHBondContact O-CB 3.31Å; A69-E73 PolarHBondContact O-N 3.23Å
70L94.9Very high87.9Confident1 Ų167 Ų671%0.00532%0.316CS..Hα-helixtrans-70.7-42172.4176.767.8000111.4L27 A38 V40 I61 K63 V67 K68 E72 E73 I74L27-L70 HydrophobicContact CD1-CD2 3.8Å; A38-L70 HydrophobicContact CB-CB 4.25Å; A38-L70 HydrophobicContact CB-CD2 3.71Å; V40-L70 HydrophobicContact CG1-CD2 4.2Å; I61-L70 HydrophobicContact CG2-CD1 4Å; I61-L70 WeakPolarHBondContact O-CD1 3.36Å; K63-L70 HydrophobicContact CB-CB 4.34Å; K63-L70 HydrophobicContact CB-CD1 4.32Å; V67-L70 WeakPolarHBondContact O-CA 3.3Å; V67-L70 WeakPolarHBondContact O-CB 3.5Å; V67-L70 PolarHBondContact O-N 3.12Å; K68-L70 VanDerWaalsContact C-N 3.29Å; K68-L70 PolarHBondContact O-N 3.24Å; L70-E72 PolarHBondContact O-N 3.15Å; L70-E73 CarbonylContact O-C 3.56Å; L70-E73 WeakPolarHBondContact O-CA 3.31Å; L70-E73 WeakPolarHBondContact O-CB 3.43Å; L70-E73 PolarHBondContact O-N 3.45Å; L70-E73 VanDerWaalsContact O-N 3.1Å; L70-I74 HydrophobicContact CD1-CG1 4.47Å; L70-I74 HydrophobicContact CG-CD1 4.05Å; L70-I74 HydrophobicContact CG-CG1 4.45Å; L70-I74 WeakPolarHBondContact O-CG1 3.41Å; L70-I74 PolarHBondContact O-N 3.16Å
71E94Very high87.3Confident71 Ų7168.7 Ų68.733%0.33233%0.325SS..Hα-helixtrans-57.9-48176.7-175.8177.4-145.800111.4V24 V67 K68 E73 I74 Y75V24-E71 HydrophobicContact CG1-CB 4.13Å; V24-E71 HydrophobicContact CG1-CG 4.17Å; V67-E71 PolarHBondContact O-N 3.44Å; K68-E71 WeakPolarHBondContact O-CB 3.43Å; K68-E71 PolarHBondContact O-N 2.96Å; E71-E73 PolarHBondContact O-N 3.44Å; E71-I74 PolarHBondContact O-N 3.23Å; E71-Y75 HydrophobicContact CG-CD2 4.21Å; E71-Y75 HydrophobicContact CG-CE2 3.94Å; E71-Y75 WeakPolarHBondContact O-CD2 3.46Å; E71-Y75 PolarHBondContact O-N 3.06Å
72E92.5Very high86.9Confident116 Ų11671.3 Ų71.354%0.54234%0.338SS..Hα-helixtrans-59.5-35.3174.6-70.4171.2-170.700112.3K68 L70K68-E72 WeakPolarHBondContact CE-OE1 3.37Å; K68-E72 WeakPolarHBondContact O-CG 3.45Å; K68-E72 PolarHBondContact O-N 3.46Å; L70-E72 PolarHBondContact O-N 3.15Å
73E91.9Very high86.5Confident15 Ų1575.2 Ų75.27%0.0736%0.361CS..Hα-helixtrans-73.5-31.2178.5-172.770.7-163.900113.2I61 K63 A69 L70 E71 Q76 R79I61-E73 HydrophobicContact CG2-CB 4.35Å; I61-E73 HydrophobicContact CG2-CG 3.77Å; K63-E73 HydrophobicContact CD-CB 4.23Å; K63-E73 HydrophobicContact CD-CG 4.06Å; K63-E73 WeakPolarHBondContact CE-OE2 3.45Å; K63-E73 HydrophobicContact CG-CB 4.49Å; K63-E73 IonicContact NZ-OE2 2.7Å; K63-E73 PolarHBondContact NZ-OE2 2.98Å; A69-E73 WeakPolarHBondContact O-CB 3.31Å; A69-E73 PolarHBondContact O-N 3.23Å; L70-E73 CarbonylContact O-C 3.56Å; L70-E73 WeakPolarHBondContact O-CA 3.31Å; L70-E73 WeakPolarHBondContact O-CB 3.43Å; L70-E73 PolarHBondContact O-N 3.45Å; L70-E73 VanDerWaalsContact O-N 3.1Å; E71-E73 PolarHBondContact O-N 3.44Å; E73-Q76 PolarHBondContact OE2-NE2 3.48Å; E73-R79 IonicContact OE1-CZ 2.81Å; E73-R79 IonicContact OE1-NH1 3.1Å; E73-R79 PolarHBondContact OE1-NH1 2.94Å; E73-R79 IonicContact OE1-NH2 3.49Å; E73-R79 PolarHBondContact OE1-NH2 3.13Å
74I90.2Very high86.2Confident6 Ų673.3 Ų73.33%0.03135%0.353CS..Hα-helixtrans-65.7-40.1176.7-73.4165.6000110.8F20 V24 V40 I61 L70 E71 Q76F20-I74 HydrophobicContact CB-CG2 4.09Å; F20-I74 HydrophobicContact CD1-CD1 4.19Å; F20-I74 HydrophobicContact CD1-CG1 4.49Å; F20-I74 HydrophobicContact CD1-CG2 3.84Å; F20-I74 HydrophobicContact CD2-CG2 3.72Å; F20-I74 HydrophobicContact CE1-CG2 4.12Å; F20-I74 HydrophobicContact CE2-CG2 3.98Å; F20-I74 HydrophobicContact CG-CG2 3.64Å; F20-I74 HydrophobicContact CZ-CG2 4.17Å; V24-I74 HydrophobicContact CG2-CD1 3.6Å; V40-I74 HydrophobicContact CG2-CD1 4.06Å; V40-I74 HydrophobicContact CG2-CG1 4.27Å; I61-I74 HydrophobicContact CD1-CG1 4.17Å; I61-I74 HydrophobicContact CG2-CG1 4.08Å; L70-I74 HydrophobicContact CD1-CG1 4.47Å; L70-I74 HydrophobicContact CG-CD1 4.05Å; L70-I74 HydrophobicContact CG-CG1 4.45Å; L70-I74 WeakPolarHBondContact O-CG1 3.41Å; L70-I74 PolarHBondContact O-N 3.16Å; E71-I74 PolarHBondContact O-N 3.23Å; I74-Q76 VanDerWaalsContact C-N 3.35Å; I74-Q76 PolarHBondContact O-N 3.28Å
75Y85.8Confident86Confident89 Ų8970.6 Ų70.635%0.34935%0.35SS..THydrogen-bonded Turntrans-909.2-175.6-65.2-66.3000114.7E71E71-Y75 HydrophobicContact CG-CD2 4.21Å; E71-Y75 HydrophobicContact CG-CE2 3.94Å; E71-Y75 WeakPolarHBondContact O-CD2 3.46Å; E71-Y75 PolarHBondContact O-N 3.06Å
76Q82.4Confident85.9Confident93 Ų9370.5 Ų70.544%0.43534%0.343SS..SBendtrans-66136.8169.4-75.2174.722.400110.6E73 I74E73-Q76 PolarHBondContact OE2-NE2 3.48Å; I74-Q76 VanDerWaalsContact C-N 3.35Å; I74-Q76 PolarHBondContact O-N 3.28Å
77K61.1Low85.8Confident184 Ų18472.4 Ų72.480%0.835%0.353SS*.THydrogen-bonded Turntrans-59.1149.2-175.1-68.6-175.5175.9-177.60111.9
78D65Low85.8Confident167 Ų16774.8 Ų74.889%0.89337%0.367SS*.THydrogen-bonded Turntrans79.512.5166.8-45.9-42.1000118.6
79R69.1Low85.8Confident104 Ų10468.6 Ų68.639%0.39234%0.341SS..SBendtrans-92-45.5176.8-72.4-171.2175170.14.7115.3E73E73-R79 IonicContact OE1-CZ 2.81Å; E73-R79 IonicContact OE1-NH1 3.1Å; E73-R79 PolarHBondContact OE1-NH1 2.94Å; E73-R79 IonicContact OE1-NH2 3.49Å; E73-R79 PolarHBondContact OE1-NH2 3.13Å
80V76.9Confident86Confident26 Ų2667.4 Ų67.416%0.15833%0.33CS..SBendtrans-152.4147.8-173.9-134.40000110R16 F20 I82R16-V80 VanDerWaalsContact CZ-CG1 3.44Å; F20-V80 HydrophobicContact CZ-CG2 4.42Å; V80-I82 PolarHBondContact O-N 2.77Å
81D83.1Confident86.1Confident73 Ų7367.3 Ų67.339%0.3933%0.33SS..  trans-74.2106.9173.8-175-6.7000109.7R16 D83 E84R16-D81 WeakPolarHBondContact CD-O 3.43Å; R16-D81 PolarHBondContact NH1-O 3.48Å; D81-D83 VanDerWaalsContact C-N 3.28Å; D81-D83 PolarHBondContact O-N 2.77Å; D81-D83 PolarHBondContact OD1-N 2.92Å; D81-D83 VanDerWaalsContact OD1-N 3.15Å; D81-E84 HydrophobicContact CB-CB 4.45Å
82I86.4Confident86.3Confident57 Ų5764 Ų6429%0.29231%0.314SS..THydrogen-bonded Turntrans-75-18.5-174.659.3171.7000113.3R16 K17 V80R16-I82 PolarHBondContact N-O 3.33Å; K17-I82 HydrophobicContact CB-CB 4.38Å; K17-I82 WeakPolarHBondContact CB-O 3.3Å; K17-I82 PolarHBondContact N-O 2.87Å; V80-I82 PolarHBondContact O-N 2.77Å
83D88.4Confident86.6Confident116 Ų11658.4 Ų58.462%0.6229%0.288SS*.THydrogen-bonded Turntrans-95.2-3.3-175.3-62-43.4000112.4D81 S85D81-D83 VanDerWaalsContact C-N 3.28Å; D81-D83 PolarHBondContact O-N 2.77Å; D81-D83 PolarHBondContact OD1-N 2.92Å; D81-D83 VanDerWaalsContact OD1-N 3.15Å; D83-S85 PolarHBondContact O-N 2.99Å
84E88.9Confident86.9Confident37 Ų3757.8 Ų57.817%0.17329%0.285CS..  trans-60.8126.1174.2-174174.1-160.100110.8T15 R16 T46 D81 L86T15-E84 CarbonylContact C-O 3.52Å; T15-E84 WeakPolarHBondContact CA-O 3.32Å; R16-E84 IonicContact CZ-OE2 3.29Å; R16-E84 PolarHBondContact N-O 2.97Å; R16-E84 IonicContact NH1-OE2 3.14Å; R16-E84 PolarHBondContact NH1-OE2 3.13Å; R16-E84 IonicContact NH2-OE2 3.76Å; R16-E84 PolarHBondContact NH2-OE2 2.92Å; T46-E84 WeakPolarHBondContact CG2-OE1 3.49Å; T46-E84 PolarHBondContact OG1-OE1 3.39Å; D81-E84 HydrophobicContact CB-CB 4.45Å; E84-L86 HydrophobicContact CG-CD2 4.06Å
85S90.4Very high87.1Confident66 Ų6657.5 Ų57.546%0.46228%0.284SS..EExtended strand (participates in β ladder)trans-91126176.8-174.50000110.9D83D83-S85 PolarHBondContact O-N 2.99Å
86L90.6Very high87.4Confident23 Ų2353.5 Ų53.512%0.1227%0.268CS..EExtended strand (participates in β ladder)trans-118.8118.5-176.3-58.9173.3000109.1N9 R14 I19 E84 H89N9-L86 PolarHBondContact ND2-O 3.38Å; R14-L86 PolarHBondContact N-O 2.69Å; R14-L86 PolarHBondContact O-N 3.34Å; I19-L86 HydrophobicContact CD1-CB 4.3Å; I19-L86 HydrophobicContact CD1-CD1 3.95Å; E84-L86 HydrophobicContact CG-CD2 4.06Å; L86-H89 HydrophobicContact CB-CB 4.06Å; L86-H89 HydrophobicContact CD1-CB 4.14Å
87H90.1Very high87.6Confident118 Ų11851.4 Ų51.455%0.54626%0.256SS..SBendtrans-75.6-38.2178.6-76.1-102000112.6N9 Q11 V12N9-H87 PolarHBondContact ND2-O 2.8Å; Q11-H87 WeakPolarHBondContact CA-O 3.41Å; Q11-H87 PolarHBondContact N-O 2.97Å; V12-H87 PolarHBondContact N-O 2.81Å; V12-H87 VanDerWaalsContact N-O 3.1Å
88T92.3Very high88.5Confident51 Ų5143.9 Ų43.931%0.31323%0.229SC..SBendtrans-129.9119.8175.2-64.70000108.5N9 Y10 Q11N9-T88 WeakPolarHBondContact O-CA 3.35Å; Y10-T88 HydrophobicContact CD2-CG2 3.8Å; Y10-T88 HydrophobicContact CE2-CG2 4.3Å; Q11-T88 PolarHBondContact N-OG1 2.86Å
89H94.9Very high88.9Confident0 Ų039 Ų390%021%0.205CC..EExtended strand (participates in β ladder)trans-148.6148.8178.1172.9-82.8000110L8 N9 I19 D43 L86 G91L8-H89 WeakPolarHBondContact CA-O 3.25Å; N9-H89 PolarHBondContact N-O 3.35Å; N9-H89 VanDerWaalsContact N-O 3.12Å; N9-H89 PolarHBondContact O-N 3.17Å; N9-H89 VanDerWaalsContact O-N 3.09Å; N9-H89 WeakPolarHBondContact OD1-CB 3.29Å; N9-H89 PolarHBondContact OD1-O 2.95Å; I19-H89 HydrophobicContact CD1-CB 3.98Å; D43-H89 PolarHBondContact N-NE2 3.06Å; D43-H89 IonicContact OD2-CD2 2.7Å; D43-H89 PolarHBondContact OD2-CD2 3.16Å; D43-H89 IonicContact OD2-CG 3.11Å; D43-H89 IonicContact OD2-NE2 2.76Å; L86-H89 HydrophobicContact CB-CB 4.06Å; L86-H89 HydrophobicContact CD1-CB 4.14Å; H89-G91 PolarHBondContact CE1-N 2.76Å; H89-G91 PolarHBondContact ND1-N 3.04Å
90F96.8Very high89.3Confident2 Ų236.7 Ų36.71%0.00920%0.198CC..EExtended strand (participates in β ladder)trans-125.1115171.3-174.5-138.8000110.7A6 Y7 L8 L92 V189 F190 K191 A199 F264A6-F90 HydrophobicContact CB-CE2 3.6Å; A6-F90 HydrophobicContact CB-CZ 3.82Å; Y7-F90 WeakPolarHBondContact O-CA 3.25Å; Y7-F90 WeakPolarHBondContact O-CD2 3.25Å; L8-F90 HydrophobicContact CB-CD2 3.64Å; L8-F90 HydrophobicContact CB-CE2 4.18Å; L8-F90 HydrophobicContact CB-CG 4.48Å; L8-F90 HydrophobicContact CD1-CB 4.13Å; L8-F90 HydrophobicContact CD1-CD2 3.95Å; L8-F90 HydrophobicContact CD1-CG 4.09Å; L8-F90 HydrophobicContact CG-CB 4.37Å; L8-F90 HydrophobicContact CG-CD2 4.15Å; F90-L92 HydrophobicContact CD1-CD2 4.19Å; F90-L92 HydrophobicContact CE1-CD2 3.5Å; F90-L92 VanDerWaalsContact CE1-CD2 3.5Å; F90-L92 HydrophobicContact CE2-CD2 4.14Å; F90-L92 HydrophobicContact CZ-CD2 3.48Å; F90-L92 VanDerWaalsContact CZ-CD2 3.48Å; F90-V189 HydrophobicContact CE1-CG1 4.11Å; F90-V189 HydrophobicContact CZ-CG1 3.56Å; F90-F190 WeakPolarHBondContact CE1-O 3.3Å; F90-K191 HydrophobicContact CD1-CB 4.11Å; F90-K191 HydrophobicContact CD1-CG 4.29Å; F90-K191 HydrophobicContact CE1-CB 4.32Å; F90-K191 WeakPolarHBondContact O-CD 3.46Å; F90-K191 VanDerWaalsContact O-CE 3.3Å; F90-K191 WeakPolarHBondContact O-CE 3.13Å; F90-K191 PolarHBondContact O-NZ 3.3Å; F90-A199 HydrophobicContact CD1-CB 3.78Å; F90-A199 HydrophobicContact CD2-CB 4.14Å; F90-A199 HydrophobicContact CE1-CB 3.36Å; F90-A199 HydrophobicContact CE2-CB 3.76Å; F90-A199 HydrophobicContact CG-CB 4.15Å; F90-A199 HydrophobicContact CZ-CB 3.35Å; F90-F264 AromaticContact CE2-CD2 3.9Å; F90-F264 HydrophobicContact CE2-CD2 3.9Å; F90-F264 AromaticContact CE2-CE2 3.87Å; F90-F264 HydrophobicContact CE2-CE2 3.87Å; F90-F264 HydrophobicContact CZ-CD2 4.28Å; F90-F264 HydrophobicContact CZ-CE2 4.25Å
91G97.1Very high89.5Confident0 Ų036.9 Ų36.90%021%0.206CC..EExtended strand (participates in β ladder)trans-106135.9178.900000111.9A6 Y7 A41 H89A6-G91 CarbonylContact C-O 3.55Å; A6-G91 WeakPolarHBondContact CA-O 3.39Å; A6-G91 VanDerWaalsContact CB-O 3.26Å; A6-G91 WeakPolarHBondContact CB-O 3.34Å; Y7-G91 PolarHBondContact N-O 3.05Å; Y7-G91 PolarHBondContact O-N 3.23Å; A41-G91 WeakPolarHBondContact O-CA 3.3Å; H89-G91 PolarHBondContact CE1-N 2.76Å; H89-G91 PolarHBondContact ND1-N 3.04Å
92L98.1Very high89.7Confident0 Ų039.9 Ų39.90%022%0.217CC..EExtended strand (participates in β ladder)trans-107.3146.4172.2-53.1-174000110.3A6 V40 A41 F90 P110 V120 I122 V189 K191A6-L92 HydrophobicContact CB-CD2 3.67Å; V40-L92 CarbonylContact C-O 3.49Å; V40-L92 WeakPolarHBondContact CA-O 3.5Å; V40-L92 WeakPolarHBondContact CB-O 3.26Å; A41-L92 HydrophobicContact CB-CB 4.13Å; A41-L92 HydrophobicContact CB-CG 4.45Å; A41-L92 PolarHBondContact N-O 3.47Å; A41-L92 PolarHBondContact O-N 3.42Å; F90-L92 HydrophobicContact CD1-CD2 4.19Å; F90-L92 HydrophobicContact CE1-CD2 3.5Å; F90-L92 VanDerWaalsContact CE1-CD2 3.5Å; F90-L92 HydrophobicContact CE2-CD2 4.14Å; F90-L92 HydrophobicContact CZ-CD2 3.48Å; F90-L92 VanDerWaalsContact CZ-CD2 3.48Å; L92-P110 HydrophobicContact CB-CG 4.36Å; L92-V120 HydrophobicContact CD1-CG2 3.97Å; L92-I122 HydrophobicContact CB-CD1 4.18Å; L92-I122 HydrophobicContact CB-CG2 4.25Å; L92-I122 HydrophobicContact CD1-CG2 4.44Å; L92-I122 HydrophobicContact CD2-CD1 4.47Å; L92-V189 HydrophobicContact CD2-CB 4.38Å; L92-V189 HydrophobicContact CD2-CG1 3.64Å; L92-K191 HydrophobicContact CD1-CB 3.72Å; L92-K191 HydrophobicContact CD2-CB 4.42Å; L92-K191 HydrophobicContact CG-CB 4.04Å; L92-K191 HydrophobicContact CG-CD 4.46Å
93A98.2Very high89.9Confident0 Ų038.8 Ų38.80%021%0.214CC..EExtended strand (participates in β ladder)trans-144.8143.7174.500000110.7F5 L23 L27 G39 V40 I122F5-A93 HydrophobicContact CB-CB 4.42Å; F5-A93 PolarHBondContact N-O 3.38Å; F5-A93 CarbonylContact O-C 3.53Å; F5-A93 WeakPolarHBondContact O-CA 3.39Å; F5-A93 WeakPolarHBondContact O-CB 3.44Å; F5-A93 PolarHBondContact O-N 3.27Å; L23-A93 HydrophobicContact CB-CB 4.01Å; L23-A93 HydrophobicContact CD2-CB 4.04Å; L23-A93 HydrophobicContact CG-CB 4.45Å; L27-A93 HydrophobicContact CD1-CB 3.93Å; L27-A93 HydrophobicContact CD2-CB 3.65Å; L27-A93 HydrophobicContact CG-CB 3.73Å; G39-A93 CarbonylContact O-C 3.57Å; G39-A93 WeakPolarHBondContact O-CA 3.46Å; V40-A93 HydrophobicContact CG1-CB 3.82Å; A93-I122 WeakPolarHBondContact O-CD1 3.2Å
94H98.3Very high90.1Very high1 Ų134.2 Ų34.21%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-144140.1179.6-171-97.3000112.9G3 A38 G39 H109 I122 H123 N124G3-H94 CarbonylContact O-C 3.56Å; G3-H94 VanDerWaalsContact O-CA 3.29Å; G3-H94 WeakPolarHBondContact O-CA 3.45Å; G3-H94 PolarHBondContact O-CD2 3.32Å; A38-H94 CarbonylContact C-O 3.48Å; A38-H94 WeakPolarHBondContact CA-O 3.41Å; A38-H94 WeakPolarHBondContact CB-O 3.29Å; G39-H94 PolarHBondContact N-O 3.08Å; G39-H94 PolarHBondContact O-N 3.25Å; H94-H109 HydrophobicContact CB-CB 3.83Å; H94-H109 AromaticContact CD2-ND1 3.94Å; H94-H109 AromaticContact CE1-CE1 3.98Å; H94-H109 AromaticContact CE1-CG 3.87Å; H94-H109 AromaticContact CE1-ND1 3.26Å; H94-H109 PolarHBondContact CE1-ND1 3.38Å; H94-H109 VanDerWaalsContact CE1-ND1 3.26Å; H94-H109 AromaticContact CG-ND1 3.94Å; H94-H109 WeakPolarHBondContact ND1-CB 3.38Å; H94-H109 AromaticContact ND1-CG 3.67Å; H94-H109 AromaticContact ND1-ND1 3.52Å; H94-H109 AromaticContact NE2-ND1 3.53Å; H94-I122 HydrophobicContact CB-CB 4.15Å; H94-I122 HydrophobicContact CB-CG2 3.78Å; H94-H123 PolarHBondContact NE2-O 2.97Å; H94-N124 PolarHBondContact NE2-OD1 2.81Å
95T95.9Very high90.3Very high1 Ų134.7 Ų34.71%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-109.9134.916258.90000110.5C2 G3 L27 G34 A38 V67C2-T95 WeakPolarHBondContact CA-O 3.14Å; C2-T95 VanDerWaalsContact CB-O 3.25Å; C2-T95 WeakPolarHBondContact CB-O 3.36Å; G3-T95 WeakPolarHBondContact CA-OG1 3.34Å; G3-T95 PolarHBondContact N-O 2.73Å; G3-T95 PolarHBondContact N-OG1 3.4Å; G3-T95 PolarHBondContact O-N 3.32Å; L27-T95 HydrophobicContact CB-CG2 3.91Å; L27-T95 HydrophobicContact CD1-CG2 4.26Å; L27-T95 HydrophobicContact CD2-CG2 3.92Å; L27-T95 HydrophobicContact CG-CG2 4.24Å; G34-T95 WeakPolarHBondContact O-CB 3.47Å; G34-T95 PolarHBondContact O-OG1 3.26Å; A38-T95 HydrophobicContact CB-CG2 4.2Å; V67-T95 HydrophobicContact CG2-CG2 3.55Å
96R91.1Very high90.5Very high5 Ų535.1 Ų35.12%0.01920%0.198CC..EExtended strand (participates in β ladder)trans-115.1134-172.6-169178.3-171.8-105.5-4.6111.7D36 S37 A98 H100 N107D36-R96 WeakPolarHBondContact CB-O 3.49Å; D36-R96 PolarHBondContact N-O 2.89Å; S37-R96 PolarHBondContact N-O 3.1Å; S37-R96 PolarHBondContact O-N 3.2Å; R96-A98 VanDerWaalsContact NH1-CB 3.3Å; R96-H100 PolarHBondContact NH1-O 3.34Å; R96-H100 PolarHBondContact NH2-O 2.96Å; R96-N107 WeakPolarHBondContact CD-O 3.48Å; R96-N107 PolarHBondContact NE-O 3.42Å
97W86.6Confident90.7Very high49 Ų4934.2 Ų34.219%0.18619%0.193CC..  trans-105.7116158.1-178.240.2000107.4C2 D36 T99 A680 V683C2-W97 PolarHBondContact SG-N 3.11Å; C2-W97 PolarHBondContact SG-O 3.36Å; D36-W97 WeakPolarHBondContact OD2-CA 3.46Å; D36-W97 VanDerWaalsContact OD2-CD1 3.3Å; W97-T99 PolarHBondContact O-N 3.32Å; W97-A680 HydrophobicContact CD2-CB 3.55Å; W97-A680 HydrophobicContact CE3-CB 3.57Å; W97-A680 HydrophobicContact CG-CB 4.12Å; W97-A680 HydrophobicContact CH2-CB 4.01Å; W97-A680 HydrophobicContact CZ2-CB 4.02Å; W97-A680 HydrophobicContact CZ3-CB 3.79Å; W97-V683 HydrophobicContact CH2-CG2 4.34Å
98A81.3Confident91Very high26 Ų2628.6 Ų28.622%0.21517%0.167CC..  trans-77.6115.3-165.700000112.1D36 R96 P103D36-A98 PolarHBondContact OD2-N 3.06Å; R96-A98 VanDerWaalsContact NH1-CB 3.3Å; A98-P103 HydrophobicContact CB-CG 3.88Å
99T71.6Confident91.2Very high65 Ų6526.4 Ų26.440%0.39915%0.153SC..SBendtrans-94.6-43.3170.155.50000112W97 V685W97-T99 PolarHBondContact O-N 3.32Å; T99-V685 HydrophobicContact CG2-CG2 3.94Å
100H77.6Confident91.4Very high54 Ų5426.4 Ų26.425%0.2515%0.153CC..SBendtrans-117.9132.5177.8-68.678.2000111.3R96R96-H100 PolarHBondContact NH1-O 3.34Å; R96-H100 PolarHBondContact NH2-O 2.96Å
101G81.7Confident91.4Very high31 Ų3126.3 Ų26.332%0.3215%0.153SC..SBendtrans72.4147.2-179.300000113.3
102E88.5Confident91.5Very high135 Ų13529 Ų2963%0.63116%0.163SC*.  trans-63.1151.5-178.460.7167.4-160.500112.4S104 N107E102-S104 PolarHBondContact O-N 3.19Å; E102-N107 WeakPolarHBondContact O-CB 3.46Å; E102-N107 PolarHBondContact O-ND2 3.35Å
103P90.1Very high91.5Very high34 Ų3429.1 Ų29.122%0.22116%0.164CC..SBendtrans-59.8109169.1-23.733.7000111.2D36 K64 A98D36-P103 HydrophobicContact CB-CB 3.99Å; D36-P103 HydrophobicContact CB-CG 3.91Å; K64-P103 WeakPolarHBondContact CD-O 3.31Å; K64-P103 VanDerWaalsContact CE-O 3.24Å; K64-P103 WeakPolarHBondContact CE-O 3.35Å; K64-P103 HydrophobicContact CG-CB 4.35Å; K64-P103 PolarHBondContact NZ-O 2.94Å; A98-P103 HydrophobicContact CB-CG 3.88Å
104S92.8Very high91.4Very high21 Ų2130.6 Ų30.615%0.14717%0.172CC..  trans-151.2157.6179.174.40000109.6E102 L106 N107 S108E102-S104 PolarHBondContact O-N 3.19Å; S104-L106 PolarHBondContact O-N 2.81Å; S104-N107 PolarHBondContact O-N 3.45Å; S104-N107 VanDerWaalsContact O-N 3.16Å; S104-N107 PolarHBondContact OG-N 3.14Å; S104-N107 PolarHBondContact OG-ND2 2.88Å; S104-S108 PolarHBondContact O-N 3.45Å; S104-S108 PolarHBondContact O-OG 3.39Å
105A91.9Very high91.2Very high46 Ų4638 Ų3838%0.3820%0.204SC..THydrogen-bonded Turntrans-58.6-30.3177.300000112.7K62K62-A105 HydrophobicContact CB-CB 4.35Å; K62-A105 WeakPolarHBondContact CE-O 3.4Å; K62-A105 PolarHBondContact NZ-O 3.22Å; K62-A105 VanDerWaalsContact NZ-O 3.13Å
106L94.6Very high91.1Very high76 Ų7642.6 Ų42.640%0.39823%0.228SC..THydrogen-bonded Turntrans-67.1-45.7177.4-169.959.9000111.5K62 S104 Q111 E145K62-L106 PolarHBondContact NZ-O 2.93Å; S104-L106 PolarHBondContact O-N 2.81Å; L106-Q111 PolarHBondContact O-NE2 3.14Å; L106-E145 HydrophobicContact CD1-CB 4.09Å; L106-E145 HydrophobicContact CD1-CG 3.86Å; L106-E145 WeakPolarHBondContact CD2-O 3.45Å; L106-E145 WeakPolarHBondContact CG-O 3.48Å
107N95.8Very high91.3Very high3 Ų343 Ų432%0.01623%0.231CC..THydrogen-bonded Turntrans-80.6-13.4178.6-67.5-27.9000113.6R96 E102 S104 S146 D147 T148R96-N107 WeakPolarHBondContact CD-O 3.48Å; R96-N107 PolarHBondContact NE-O 3.42Å; E102-N107 WeakPolarHBondContact O-CB 3.46Å; E102-N107 PolarHBondContact O-ND2 3.35Å; S104-N107 PolarHBondContact O-N 3.45Å; S104-N107 VanDerWaalsContact O-N 3.16Å; S104-N107 PolarHBondContact OG-N 3.14Å; S104-N107 PolarHBondContact OG-ND2 2.88Å; N107-S146 WeakPolarHBondContact OD1-CB 3.48Å; N107-D147 PolarHBondContact OD1-N 3.47Å; N107-D147 VanDerWaalsContact OD1-N 3.14Å; N107-T148 HydrophobicContact CB-CG2 3.74Å; N107-T148 WeakPolarHBondContact O-CG2 3.3Å
108S96.3Very high91.7Very high0 Ų042.2 Ų42.20%023%0.229CC..SBendtrans-66.5149.2171.9-55.50000111.4S37 K62 S104S37-S108 WeakPolarHBondContact CB-OG 3.49Å; S37-S108 PolarHBondContact OG-OG 3.11Å; K62-S108 VanDerWaalsContact CD-O 3.25Å; K62-S108 WeakPolarHBondContact CD-O 3.44Å; K62-S108 PolarHBondContact NZ-O 3.26Å; S104-S108 PolarHBondContact O-N 3.45Å; S104-S108 PolarHBondContact O-OG 3.39Å
109H96.8Very high92.5Very high5 Ų541 Ų412%0.02322%0.219CC..SBendtrans-86.1158171.3-58.5176.6000109.7G39 H94 I122 H123 T150G39-H109 WeakPolarHBondContact CA-O 3.2Å; H94-H109 HydrophobicContact CB-CB 3.83Å; H94-H109 AromaticContact CD2-ND1 3.94Å; H94-H109 AromaticContact CE1-CE1 3.98Å; H94-H109 AromaticContact CE1-CG 3.87Å; H94-H109 AromaticContact CE1-ND1 3.26Å; H94-H109 PolarHBondContact CE1-ND1 3.38Å; H94-H109 VanDerWaalsContact CE1-ND1 3.26Å; H94-H109 AromaticContact CG-ND1 3.94Å; H94-H109 WeakPolarHBondContact ND1-CB 3.38Å; H94-H109 AromaticContact ND1-CG 3.67Å; H94-H109 AromaticContact ND1-ND1 3.52Å; H94-H109 AromaticContact NE2-ND1 3.53Å; H109-I122 HydrophobicContact CB-CG2 4.2Å; H109-H123 PolarHBondContact CE1-O 2.58Å; H109-H123 PolarHBondContact ND1-N 2.91Å; H109-H123 PolarHBondContact ND1-O 3.49Å; H109-T150 PolarHBondContact CE1-OG1 3.3Å; H109-T150 VanDerWaalsContact CE1-OG1 3.25Å; H109-T150 PolarHBondContact NE2-OG1 3.47Å
110P97.9Very high93.8Very high0 Ų037.9 Ų37.90%020%0.2CC..SBendcis-66.2143.70.2-21.935.3000114.6A41 L60 K62 L92 V120 V121 I122A41-P110 HydrophobicContact CB-CB 4.36Å; A41-P110 HydrophobicContact CB-CG 3.82Å; L60-P110 HydrophobicContact CD2-CB 4.1Å; L60-P110 HydrophobicContact CD2-CG 4.27Å; K62-P110 PolarHBondContact NZ-O 3.41Å; L92-P110 HydrophobicContact CB-CG 4.36Å; P110-V120 HydrophobicContact CB-CB 4.33Å; P110-V121 WeakPolarHBondContact CA-O 3.47Å; P110-I122 HydrophobicContact CB-CG2 3.82Å; P110-I122 HydrophobicContact CG-CG2 3.56Å
111Q98.3Very high94.8Very high0 Ų035.3 Ų35.30%019%0.189CC..EExtended strand (participates in β ladder)trans-90.8148.8170-71.8-62-8.500110.2L106 V120 V121 T148 T150 P154L106-Q111 PolarHBondContact O-NE2 3.14Å; Q111-V120 CarbonylContact O-C 3.52Å; Q111-V120 WeakPolarHBondContact O-CA 3.35Å; Q111-V121 HydrophobicContact CB-CG1 4.47Å; Q111-V121 PolarHBondContact N-O 2.68Å; Q111-V121 PolarHBondContact O-N 2.84Å; Q111-T148 PolarHBondContact NE2-OG1 3.03Å; Q111-T150 HydrophobicContact CB-CG2 4.01Å; Q111-T150 HydrophobicContact CG-CG2 3.68Å; Q111-P154 HydrophobicContact CB-CG 4.05Å
112R98.1Very high95.6Very high58 Ų5833.9 Ų33.922%0.21917%0.173CC..EExtended strand (participates in β ladder)trans-120.8153.2-171.362-179177.8172.51.5113.5L60 D114 N117 F119 V120 E145 K155L60-R112 HydrophobicContact CD1-CB 4.07Å; L60-R112 HydrophobicContact CD1-CG 4.45Å; R112-D114 VanDerWaalsContact CD-O 3.31Å; R112-D114 WeakPolarHBondContact CD-O 3.31Å; R112-N117 WeakPolarHBondContact CD-OD1 3.2Å; R112-N117 PolarHBondContact NH1-OD1 2.91Å; R112-F119 CarbonylContact C-O 3.56Å; R112-F119 WeakPolarHBondContact CA-O 3.33Å; R112-V120 HydrophobicContact CB-CG1 4.13Å; R112-E145 IonicContact CZ-OE1 3.49Å; R112-E145 IonicContact CZ-OE2 3.13Å; R112-E145 IonicContact NE-OE1 3.39Å; R112-E145 PolarHBondContact NE-OE1 3.35Å; R112-E145 IonicContact NE-OE2 2.78Å; R112-E145 PolarHBondContact NE-OE2 3.48Å; R112-E145 IonicContact NH2-OE1 2.75Å; R112-E145 PolarHBondContact NH2-OE1 3.35Å; R112-E145 IonicContact NH2-OE2 2.68Å; R112-E145 PolarHBondContact NH2-OE2 2.85Å; R112-K155 PolarHBondContact O-NZ 3.09Å
113S97.9Very high96Very high2 Ų227.6 Ų27.61%0.01414%0.144CC..SBendtrans-74.5-33.7177.556.30000113.6E118 F119 P154 K155S113-E118 PolarHBondContact OG-N 3.36Å; S113-F119 PolarHBondContact N-O 2.9Å; S113-F119 PolarHBondContact OG-N 3.38Å; S113-F119 PolarHBondContact OG-O 3.3Å; S113-P154 WeakPolarHBondContact CB-O 3.45Å; S113-K155 WeakPolarHBondContact O-CD 3.37Å; S113-K155 WeakPolarHBondContact O-CE 3.44Å; S113-K155 PolarHBondContact O-NZ 3.16Å
114D96.5Very high96.2Very high30 Ų3026 Ų2616%0.1613%0.133CC..SBendtrans-161.4176-171.65362.6000109.7R112 N116 N117 E118 K158R112-D114 VanDerWaalsContact CD-O 3.31Å; R112-D114 WeakPolarHBondContact CD-O 3.31Å; D114-N116 PolarHBondContact O-N 2.91Å; D114-N116 VanDerWaalsContact O-N 3.17Å; D114-N116 VanDerWaalsContact OD1-CA 3.26Å; D114-N116 WeakPolarHBondContact OD1-CA 3.38Å; D114-N116 VanDerWaalsContact OD1-CB 3.27Å; D114-N116 WeakPolarHBondContact OD1-CB 3.29Å; D114-N116 PolarHBondContact OD1-N 3.24Å; D114-N117 PolarHBondContact O-N 3.39Å; D114-N117 VanDerWaalsContact O-N 3.09Å; D114-N117 PolarHBondContact OD1-N 3.14Å; D114-E118 PolarHBondContact OD1-N 2.86Å; D114-E118 VanDerWaalsContact OD2-CB 3.28Å; D114-E118 WeakPolarHBondContact OD2-CB 3.07Å; D114-E118 VanDerWaalsContact OD2-CG 3.27Å; D114-E118 WeakPolarHBondContact OD2-CG 3.37Å; D114-K158 HydrophobicContact CB-CD 4.46Å; D114-K158 WeakPolarHBondContact OD2-CD 3.13Å; D114-K158 WeakPolarHBondContact OD2-CE 3.29Å
115K94.4Very high96.2Very high157 Ų15725.9 Ų25.968%0.68314%0.136SC*.THydrogen-bonded Turntrans-62.2-21.7-180-66.3-178.8-179.2171.60113.6
116N92.9Very high96.2Very high97 Ų9724.9 Ų24.952%0.51912%0.124SC..THydrogen-bonded Turntrans-85.6-22.5179.7-61.2-35.9000110.9D114 R193D114-N116 PolarHBondContact O-N 2.91Å; D114-N116 VanDerWaalsContact O-N 3.17Å; D114-N116 VanDerWaalsContact OD1-CA 3.26Å; D114-N116 WeakPolarHBondContact OD1-CA 3.38Å; D114-N116 VanDerWaalsContact OD1-CB 3.27Å; D114-N116 WeakPolarHBondContact OD1-CB 3.29Å; D114-N116 PolarHBondContact OD1-N 3.24Å; N116-R193 PolarHBondContact O-NH2 3.38Å
117N95.3Very high96.2Very high15 Ų1521.3 Ų21.38%0.0811%0.105CC..  trans71.752.7-171.7-40.2-41.8000111.3I58 R112 D114 V120I58-N117 HydrophobicContact CB-CB 4.02Å; I58-N117 HydrophobicContact CG2-CB 4.37Å; I58-N117 PolarHBondContact O-ND2 3.13Å; R112-N117 WeakPolarHBondContact CD-OD1 3.2Å; R112-N117 PolarHBondContact NH1-OD1 2.91Å; D114-N117 PolarHBondContact O-N 3.39Å; D114-N117 VanDerWaalsContact O-N 3.09Å; D114-N117 PolarHBondContact OD1-N 3.14Å; N117-V120 HydrophobicContact CB-CG1 3.92Å
118E96.1Very high96.1Very high31 Ų3125.2 Ų25.215%0.14513%0.129CC..SBendtrans-65.1-42174.5-67.4-177.8-156.700112.9S113 D114 K158 S192 R193 H194S113-E118 PolarHBondContact OG-N 3.36Å; D114-E118 PolarHBondContact OD1-N 2.86Å; D114-E118 VanDerWaalsContact OD2-CB 3.28Å; D114-E118 WeakPolarHBondContact OD2-CB 3.07Å; D114-E118 VanDerWaalsContact OD2-CG 3.27Å; D114-E118 WeakPolarHBondContact OD2-CG 3.37Å; E118-K158 IonicContact OE1-NZ 3.82Å; E118-K158 PolarHBondContact OE1-NZ 2.86Å; E118-K158 IonicContact OE2-NZ 2.81Å; E118-K158 PolarHBondContact OE2-NZ 2.83Å; E118-S192 VanDerWaalsContact O-CA 3.25Å; E118-S192 WeakPolarHBondContact O-CA 3.38Å; E118-S192 WeakPolarHBondContact O-CB 3.43Å; E118-S192 PolarHBondContact O-OG 3.08Å; E118-R193 HydrophobicContact CB-CG 4.43Å; E118-R193 PolarHBondContact O-N 3.2Å; E118-R193 VanDerWaalsContact O-N 3.1Å; E118-H194 IonicContact OE2-CD2 2.84Å; E118-H194 IonicContact OE2-CE1 3.15Å; E118-H194 IonicContact OE2-NE2 3.72Å; E118-H194 PolarHBondContact OE2-NE2 3.18Å
119F98.1Very high96.1Very high1 Ų126 Ų260%0.00413%0.133CC..EExtended strand (participates in β ladder)trans-128.5137.7172.7-63.4-94.5000109.5R112 S113 I157 K158 Y161 F171 L174 S192 H194 Y195R112-F119 CarbonylContact C-O 3.56Å; R112-F119 WeakPolarHBondContact CA-O 3.33Å; S113-F119 PolarHBondContact N-O 2.9Å; S113-F119 PolarHBondContact OG-N 3.38Å; S113-F119 PolarHBondContact OG-O 3.3Å; F119-I157 HydrophobicContact CB-CG2 3.61Å; F119-I157 HydrophobicContact CD1-CD1 4.02Å; F119-I157 HydrophobicContact CD1-CG1 4.21Å; F119-I157 HydrophobicContact CD1-CG2 3.74Å; F119-I157 HydrophobicContact CD2-CG2 4.23Å; F119-I157 HydrophobicContact CE1-CD1 4.23Å; F119-I157 HydrophobicContact CE1-CG1 4.25Å; F119-I157 HydrophobicContact CE1-CG2 4.46Å; F119-I157 HydrophobicContact CG-CG2 3.6Å; F119-K158 HydrophobicContact CD2-CB 4.01Å; F119-K158 HydrophobicContact CE2-CB 4.38Å; F119-Y161 HydrophobicContact CE2-CD1 4Å; F119-Y161 AromaticContact CE2-CG 3.91Å; F119-Y161 HydrophobicContact CE2-CG 3.91Å; F119-Y161 HydrophobicContact CZ-CD1 4.17Å; F119-Y161 AromaticContact CZ-CD2 3.93Å; F119-Y161 HydrophobicContact CZ-CD2 3.93Å; F119-Y161 AromaticContact CZ-CG 3.69Å; F119-Y161 HydrophobicContact CZ-CG 3.69Å; F119-F171 HydrophobicContact CD1-CE2 4.21Å; F119-F171 HydrophobicContact CE1-CE2 4.15Å; F119-L174 HydrophobicContact CE1-CD1 4.41Å; F119-L174 HydrophobicContact CZ-CD1 4.43Å; F119-S192 WeakPolarHBondContact CD1-OG 3.43Å; F119-S192 VanDerWaalsContact CE1-OG 3.27Å; F119-S192 WeakPolarHBondContact CE1-OG 3.36Å; F119-H194 AromaticContact CE2-CD2 3.57Å; F119-H194 AromaticContact CZ-CD2 3.67Å; F119-Y195 HydrophobicContact CE1-CD2 4.38Å; F119-Y195 HydrophobicContact CE1-CE2 4.22Å; F119-Y195 HydrophobicContact CZ-CE2 4.42Å
120V98.2Very high96.1Very high0 Ų027.8 Ų27.80%014%0.14CC..EExtended strand (participates in β ladder)trans-132.4145.1175-58.30000110A41 I58 L60 L92 P110 Q111 R112 N117 K191A41-V120 HydrophobicContact CB-CG2 4.08Å; I58-V120 HydrophobicContact CD1-CG2 4.17Å; I58-V120 HydrophobicContact CG2-CG1 4.28Å; I58-V120 HydrophobicContact CG2-CG2 4.32Å; L60-V120 HydrophobicContact CD1-CG1 4.37Å; L60-V120 HydrophobicContact CD2-CG1 4.14Å; L92-V120 HydrophobicContact CD1-CG2 3.97Å; P110-V120 HydrophobicContact CB-CB 4.33Å; Q111-V120 CarbonylContact O-C 3.52Å; Q111-V120 WeakPolarHBondContact O-CA 3.35Å; R112-V120 HydrophobicContact CB-CG1 4.13Å; N117-V120 HydrophobicContact CB-CG1 3.92Å; V120-K191 HydrophobicContact CG2-CB 3.72Å; V120-K191 HydrophobicContact CG2-CD 4.39Å; V120-K191 HydrophobicContact CG2-CG 4.23Å; V120-K191 PolarHBondContact N-O 3.45Å; V120-K191 PolarHBondContact O-N 2.86Å
121V98.4Very high96Very high0 Ų034.3 Ų34.30%017%0.169CC..EExtended strand (participates in β ladder)trans-138.7146.7-178.572.90000111.1P110 Q111 T150 I153 P154 L188 V189 F190P110-V121 WeakPolarHBondContact CA-O 3.47Å; Q111-V121 HydrophobicContact CB-CG1 4.47Å; Q111-V121 PolarHBondContact N-O 2.68Å; Q111-V121 PolarHBondContact O-N 2.84Å; V121-T150 HydrophobicContact CG1-CG2 4.21Å; V121-I153 HydrophobicContact CG1-CB 4.19Å; V121-I153 HydrophobicContact CG1-CG2 4.18Å; V121-I153 HydrophobicContact CG2-CG2 4.27Å; V121-P154 HydrophobicContact CG1-CB 4.17Å; V121-P154 HydrophobicContact CG1-CG 4.03Å; V121-L188 HydrophobicContact CG2-CB 4.29Å; V121-L188 HydrophobicContact CG2-CD2 4.18Å; V121-V189 WeakPolarHBondContact CA-O 3.44Å; V121-V189 WeakPolarHBondContact CG2-O 3.46Å; V121-F190 HydrophobicContact CB-CD1 3.98Å; V121-F190 HydrophobicContact CB-CE1 4.12Å; V121-F190 HydrophobicContact CG2-CD1 3.75Å; V121-F190 HydrophobicContact CG2-CD2 4.23Å; V121-F190 HydrophobicContact CG2-CE1 3.71Å; V121-F190 HydrophobicContact CG2-CE2 4.17Å; V121-F190 HydrophobicContact CG2-CG 4.02Å; V121-F190 HydrophobicContact CG2-CZ 3.93Å
122I98.3Very high96Very high0 Ų040.1 Ų40.10%020%0.196CC..EExtended strand (participates in β ladder)trans-112.8139.7164.755.7176.9000109I4 L92 A93 H94 H109 P110 L188 V189I4-I122 HydrophobicContact CB-CD1 4.28Å; I4-I122 HydrophobicContact CG1-CB 4.47Å; I4-I122 HydrophobicContact CG1-CD1 4.08Å; I4-I122 HydrophobicContact CG1-CG1 4.19Å; I4-I122 HydrophobicContact CG2-CD1 3.74Å; I4-I122 HydrophobicContact CG2-CG1 4.43Å; L92-I122 HydrophobicContact CB-CD1 4.18Å; L92-I122 HydrophobicContact CB-CG2 4.25Å; L92-I122 HydrophobicContact CD1-CG2 4.44Å; L92-I122 HydrophobicContact CD2-CD1 4.47Å; A93-I122 WeakPolarHBondContact O-CD1 3.2Å; H94-I122 HydrophobicContact CB-CB 4.15Å; H94-I122 HydrophobicContact CB-CG2 3.78Å; H109-I122 HydrophobicContact CB-CG2 4.2Å; P110-I122 HydrophobicContact CB-CG2 3.82Å; P110-I122 HydrophobicContact CG-CG2 3.56Å; I122-L188 WeakPolarHBondContact O-CA 3.38Å; I122-V189 HydrophobicContact CD1-CB 4Å; I122-V189 HydrophobicContact CD1-CG2 4.28Å; I122-V189 HydrophobicContact CG1-CB 3.7Å; I122-V189 HydrophobicContact CG1-CG2 4.24Å; I122-V189 PolarHBondContact N-O 3.31Å; I122-V189 VanDerWaalsContact N-O 3.09Å; I122-V189 PolarHBondContact O-N 3.01Å; I122-V189 VanDerWaalsContact O-N 3.14Å
123H97.4Very high95.9Very high3 Ų338.1 Ų38.11%0.01419%0.189CC..EExtended strand (participates in β ladder)trans-136.8133.8-170.1171-134.8000111.9H94 H109 G125 D149 T150 I153 F186 A187 L188H94-H123 PolarHBondContact NE2-O 2.97Å; H109-H123 PolarHBondContact CE1-O 2.58Å; H109-H123 PolarHBondContact ND1-N 2.91Å; H109-H123 PolarHBondContact ND1-O 3.49Å; H123-G125 PolarHBondContact CE1-O 2.96Å; H123-G125 VanDerWaalsContact CE1-O 3.31Å; H123-G125 WeakPolarHBondContact NE2-CA 3.46Å; H123-D149 IonicContact CE1-OD2 3.12Å; H123-T150 HydrophobicContact CB-CG2 3.49Å; H123-T150 VanDerWaalsContact CB-CG2 3.49Å; H123-T150 PolarHBondContact ND1-OG1 3.26Å; H123-I153 HydrophobicContact CB-CD1 4.42Å; H123-F186 WeakPolarHBondContact NE2-CB 3.27Å; H123-A187 WeakPolarHBondContact CA-O 3.43Å; H123-L188 HydrophobicContact CB-CD2 3.58Å; H123-L188 WeakPolarHBondContact CD2-CD2 3.45Å
124N94.9Very high95.9Very high0 Ų040.3 Ų40.30%020%0.199CC..EExtended strand (participates in β ladder)trans-116.8125.1163.5-74.90.2000109C2 I4 H94 F186 A187 S266C2-N124 WeakPolarHBondContact CB-OD1 3.47Å; C2-N124 PolarHBondContact O-ND2 2.84Å; I4-N124 HydrophobicContact CD1-CB 3.95Å; H94-N124 PolarHBondContact NE2-OD1 2.81Å; N124-F186 CarbonylContact O-C 3.35Å; N124-F186 VanDerWaalsContact O-CA 3.23Å; N124-F186 WeakPolarHBondContact O-CA 3.49Å; N124-A187 HydrophobicContact CB-CB 4.37Å; N124-A187 PolarHBondContact N-O 3.19Å; N124-A187 PolarHBondContact O-N 3.31Å; N124-S266 VanDerWaalsContact ND2-CB 3.35Å; N124-S266 WeakPolarHBondContact ND2-CB 3.47Å; N124-S266 PolarHBondContact ND2-OG 2.9Å
125G91.6Very high96Very high19 Ų1946.3 Ų46.320%0.19622%0.223CC..EExtended strand (participates in β ladder)trans134-164-177.500000112.2H123 A185H123-G125 PolarHBondContact CE1-O 2.96Å; H123-G125 VanDerWaalsContact CE1-O 3.31Å; H123-G125 WeakPolarHBondContact NE2-CA 3.46Å; G125-A185 CarbonylContact C-O 2.85Å; G125-A185 WeakPolarHBondContact CA-O 3.39Å
126I92.5Very high96.1Very high26 Ų2643.3 Ų43.313%0.13321%0.208CC..EExtended strand (participates in β ladder)trans-136128.5174.4-63.9179.8000108.4T128 D149 A185 V685 E686I126-T128 HydrophobicContact CG2-CG2 4.47Å; I126-D149 WeakPolarHBondContact CA-OD2 3.46Å; I126-A185 PolarHBondContact N-O 3.12Å; I126-A185 PolarHBondContact O-N 3.11Å; I126-V685 HydrophobicContact CD1-CB 3.65Å; I126-V685 HydrophobicContact CD1-CG1 4.33Å; I126-V685 HydrophobicContact CD1-CG2 4Å; I126-V685 HydrophobicContact CG1-CB 3.91Å; I126-V685 HydrophobicContact CG1-CG1 4.03Å; I126-V685 HydrophobicContact CG1-CG2 4.32Å; I126-E686 WeakPolarHBondContact CD1-O 3.36Å
127I95.3Very high96.4Very high0 Ų038.7 Ų38.70%018%0.184CC..EExtended strand (participates in β ladder)trans-87.2106.5168.9-52.8-53000108.8N129 Y130 L133 D149 V152 I153 L182 E183 F186I127-N129 WeakPolarHBondContact CG2-OD1 3.39Å; I127-N129 PolarHBondContact O-N 3.41Å; I127-Y130 WeakPolarHBondContact O-CB 3.37Å; I127-Y130 WeakPolarHBondContact O-CD1 3.31Å; I127-Y130 PolarHBondContact O-N 2.95Å; I127-L133 HydrophobicContact CG2-CD1 4.38Å; I127-D149 HydrophobicContact CB-CB 4.36Å; I127-D149 PolarHBondContact N-OD2 2.94Å; I127-V152 HydrophobicContact CG2-CG2 4.37Å; I127-I153 HydrophobicContact CD1-CD1 4Å; I127-I153 HydrophobicContact CG1-CD1 3.86Å; I127-I153 HydrophobicContact CG1-CG1 4.21Å; I127-L182 HydrophobicContact CD1-CB 4.43Å; I127-L182 HydrophobicContact CD1-CD1 4.13Å; I127-L182 HydrophobicContact CD1-CD2 4.5Å; I127-L182 HydrophobicContact CG2-CD2 4.07Å; I127-E183 CarbonylContact C-O 3.59Å; I127-E183 WeakPolarHBondContact CA-O 3.3Å; I127-F186 HydrophobicContact CD1-CB 3.97Å; I127-F186 HydrophobicContact CD1-CD1 3.76Å; I127-F186 HydrophobicContact CD1-CG 4.2Å
128T93.2Very high96.5Very high86 Ų8642.4 Ų42.453%0.52820%0.202SC..THydrogen-bonded Turntrans-72.2-30-171.351.70000112.9I126 E183 G184I126-T128 HydrophobicContact CG2-CG2 4.47Å; T128-E183 PolarHBondContact N-O 3.19Å; T128-E183 VanDerWaalsContact OG1-C 3.25Å; T128-E183 VanDerWaalsContact OG1-CB 3.32Å; T128-E183 WeakPolarHBondContact OG1-CB 3.36Å; T128-E183 PolarHBondContact OG1-O 3.37Å; T128-G184 PolarHBondContact OG1-N 3.26Å
129N96.8Very high96.6Very high16 Ų1645.7 Ų45.79%0.08623%0.225CC..THydrogen-bonded Turntrans-97.922.9179.371-21.3000113.8I127 K131 E132 L133 Q181 E183I127-N129 WeakPolarHBondContact CG2-OD1 3.39Å; I127-N129 PolarHBondContact O-N 3.41Å; N129-K131 PolarHBondContact O-N 3.38Å; N129-E132 VanDerWaalsContact CA-OE2 3.26Å; N129-E132 WeakPolarHBondContact CA-OE2 3.45Å; N129-E132 PolarHBondContact O-N 3.06Å; N129-E132 VanDerWaalsContact O-OE2 3.1Å; N129-L133 PolarHBondContact O-N 2.78Å; N129-Q181 PolarHBondContact ND2-O 3.04Å; N129-E183 HydrophobicContact CB-CB 4.02Å; N129-E183 HydrophobicContact CB-CG 4.26Å; N129-E183 PolarHBondContact OD1-N 3.17Å
130Y96.6Very high96.6Very high43 Ų4350.5 Ų50.517%0.16925%0.246CC..Hα-helixtrans-63.1-28-176.283.4-80.5000113I127 K134 D149I127-Y130 WeakPolarHBondContact O-CB 3.37Å; I127-Y130 WeakPolarHBondContact O-CD1 3.31Å; I127-Y130 PolarHBondContact O-N 2.95Å; Y130-K134 WeakPolarHBondContact O-CB 3.21Å; Y130-K134 PolarHBondContact O-N 3.34Å; Y130-D149 HydrophobicContact CD1-CB 4.05Å; Y130-D149 HydrophobicContact CD2-CB 4.14Å; Y130-D149 HydrophobicContact CG-CB 3.76Å
131K95.4Very high96.5Very high137 Ų13753.7 Ų53.760%0.59628%0.279SS*.Hα-helixtrans-68.1-43.2-178.9-69.4179.8-178.21690111.1N129 K135N129-K131 PolarHBondContact O-N 3.38Å; K131-K135 WeakPolarHBondContact O-CB 3.11Å; K131-K135 PolarHBondContact O-N 3.49Å
132E97.1Very high96.4Very high122 Ų12255.4 Ų55.457%0.5729%0.285SS*.Hα-helixtrans-62.8-49.3176.2-66.173.9-163.900110.2N129 K135 Y136N129-E132 VanDerWaalsContact CA-OE2 3.26Å; N129-E132 WeakPolarHBondContact CA-OE2 3.45Å; N129-E132 PolarHBondContact O-N 3.06Å; N129-E132 VanDerWaalsContact O-OE2 3.1Å; E132-K135 PolarHBondContact O-N 2.96Å; E132-Y136 PolarHBondContact O-N 3.24Å
133L97.6Very high96.3Very high15 Ų1562.7 Ų62.78%0.07932%0.32CS..Hα-helixtrans-62.1-45.6177.9-67.8174.8000112.1I127 N129 K135 Y136 L137 V152 L156 Q181 L182I127-L133 HydrophobicContact CG2-CD1 4.38Å; N129-L133 PolarHBondContact O-N 2.78Å; L133-K135 PolarHBondContact O-N 3.05Å; L133-Y136 PolarHBondContact O-N 3.49Å; L133-L137 WeakPolarHBondContact O-CB 3.47Å; L133-L137 WeakPolarHBondContact O-CG 3Å; L133-L137 PolarHBondContact O-N 3.08Å; L133-V152 HydrophobicContact CB-CB 4.17Å; L133-V152 HydrophobicContact CB-CG1 4.45Å; L133-V152 HydrophobicContact CB-CG2 4.32Å; L133-V152 HydrophobicContact CD1-CG2 4.01Å; L133-L156 HydrophobicContact CD2-CD2 4.45Å; L133-Q181 HydrophobicContact CD2-CB 4.33Å; L133-L182 HydrophobicContact CD1-CD2 3.71Å
134K97.7Very high96.3Very high48 Ų4864.5 Ų64.521%0.20933%0.327CS..Hα-helixtrans-58.6-47.5177.1-176.6163.8-175.1167.10110.9Y130 Y136 L137 I138 F144 S146 V152Y130-K134 WeakPolarHBondContact O-CB 3.21Å; Y130-K134 PolarHBondContact O-N 3.34Å; K134-Y136 PolarHBondContact O-N 3.45Å; K134-L137 PolarHBondContact O-N 3.28Å; K134-I138 HydrophobicContact CG-CD1 3.91Å; K134-I138 WeakPolarHBondContact O-CD1 3.38Å; K134-I138 VanDerWaalsContact O-CG1 3.23Å; K134-I138 WeakPolarHBondContact O-CG1 3.38Å; K134-I138 PolarHBondContact O-N 2.84Å; K134-F144 HydrophobicContact CB-CE1 4.36Å; K134-F144 HydrophobicContact CB-CZ 4.13Å; K134-F144 HydrophobicContact CD-CD1 4.01Å; K134-F144 HydrophobicContact CD-CE1 4.22Å; K134-F144 HydrophobicContact CD-CG 4.22Å; K134-F144 HydrophobicContact CG-CD1 4.07Å; K134-F144 HydrophobicContact CG-CD2 4.01Å; K134-F144 HydrophobicContact CG-CE1 3.94Å; K134-F144 HydrophobicContact CG-CE2 3.87Å; K134-F144 HydrophobicContact CG-CG 4.12Å; K134-F144 HydrophobicContact CG-CZ 3.84Å; K134-S146 PolarHBondContact NZ-O 2.99Å; K134-V152 HydrophobicContact CB-CG1 3.92Å
135K97.6Very high96.4Very high156 Ų15667.4 Ų67.468%0.67834%0.341SS*.Hα-helixtrans-60.1-46.8177.3-173.4177.8178.9-178.60111.3K131 E132 L133 I138 T139K131-K135 WeakPolarHBondContact O-CB 3.11Å; K131-K135 PolarHBondContact O-N 3.49Å; E132-K135 PolarHBondContact O-N 2.96Å; L133-K135 PolarHBondContact O-N 3.05Å; K135-I138 PolarHBondContact O-N 3.16Å; K135-T139 WeakPolarHBondContact O-CG2 3.27Å; K135-T139 PolarHBondContact O-N 3.46Å; K135-T139 VanDerWaalsContact O-N 3.16Å
136Y97.9Very high96.6Very high95 Ų9566.6 Ų66.637%0.37333%0.332SS..Hα-helixtrans-58.7-50.2177.7177.3-101.4000112E132 L133 K134 I138 T139 K140 Y159E132-Y136 PolarHBondContact O-N 3.24Å; L133-Y136 PolarHBondContact O-N 3.49Å; K134-Y136 PolarHBondContact O-N 3.45Å; Y136-I138 VanDerWaalsContact C-N 3.33Å; Y136-I138 PolarHBondContact O-N 2.91Å; Y136-T139 WeakPolarHBondContact O-CB 3.41Å; Y136-T139 PolarHBondContact O-N 2.92Å; Y136-T139 PolarHBondContact O-OG1 2.94Å; Y136-K140 HydrophobicContact CD1-CG 4.49Å; Y136-K140 HydrophobicContact CE1-CG 4.09Å; Y136-K140 PolarHBondContact O-N 3.12Å; Y136-K140 WeakPolarHBondContact OH-CE 3.39Å; Y136-Y159 HydrophobicContact CE1-CD1 4.34Å; Y136-Y159 AromaticContact CE1-CE1 3.85Å; Y136-Y159 HydrophobicContact CE1-CE1 3.85Å; Y136-Y159 PolarHBondContact OH-OH 3.47Å
137L98.1Very high96.5Very high0 Ų070.6 Ų70.60%035%0.354CS..Hα-helixtrans-64.4-35.8-178.3-70.3164.2000112.5L133 K134 T139 K140 G141 Y142 F144 V152 K155 L156 Y159L133-L137 WeakPolarHBondContact O-CB 3.47Å; L133-L137 WeakPolarHBondContact O-CG 3Å; L133-L137 PolarHBondContact O-N 3.08Å; K134-L137 PolarHBondContact O-N 3.28Å; L137-T139 VanDerWaalsContact C-N 3.32Å; L137-T139 PolarHBondContact O-N 3.44Å; L137-K140 CarbonylContact O-C 3.56Å; L137-K140 WeakPolarHBondContact O-CA 3.36Å; L137-K140 PolarHBondContact O-N 2.82Å; L137-G141 PolarHBondContact O-N 3.25Å; L137-Y142 HydrophobicContact CD2-CD2 4.28Å; L137-Y142 PolarHBondContact O-N 3.23Å; L137-Y142 VanDerWaalsContact O-N 3.09Å; L137-F144 HydrophobicContact CB-CE2 3.94Å; L137-F144 HydrophobicContact CB-CZ 4.09Å; L137-F144 HydrophobicContact CD1-CZ 3.99Å; L137-V152 HydrophobicContact CD1-CB 4.48Å; L137-K155 HydrophobicContact CD1-CB 3.79Å; L137-L156 HydrophobicContact CD1-CB 4.23Å; L137-L156 HydrophobicContact CD2-CD1 4.43Å; L137-Y159 HydrophobicContact CD2-CG 4.12Å
138I97.7Very high96.5Very high92 Ų9270.6 Ų70.647%0.47235%0.354SS..Hα-helixtrans-60.7-42171.6-69.8166.1000110.7K134 K135 Y136 K140 G141 F144K134-I138 HydrophobicContact CG-CD1 3.91Å; K134-I138 WeakPolarHBondContact O-CD1 3.38Å; K134-I138 VanDerWaalsContact O-CG1 3.23Å; K134-I138 WeakPolarHBondContact O-CG1 3.38Å; K134-I138 PolarHBondContact O-N 2.84Å; K135-I138 PolarHBondContact O-N 3.16Å; Y136-I138 VanDerWaalsContact C-N 3.33Å; Y136-I138 PolarHBondContact O-N 2.91Å; I138-K140 PolarHBondContact O-N 2.9Å; I138-G141 PolarHBondContact O-N 2.86Å; I138-F144 HydrophobicContact CD1-CD2 4.19Å; I138-F144 HydrophobicContact CG1-CD2 3.78Å; I138-F144 HydrophobicContact CG1-CE2 3.94Å
139T97.9Very high96.6Very high101 Ų10166.6 Ų66.662%0.6233%0.329SS*.Hα-helixtrans-65-20.1175.571.50000113.7K135 Y136 L137K135-T139 WeakPolarHBondContact O-CG2 3.27Å; K135-T139 PolarHBondContact O-N 3.46Å; K135-T139 VanDerWaalsContact O-N 3.16Å; Y136-T139 WeakPolarHBondContact O-CB 3.41Å; Y136-T139 PolarHBondContact O-N 2.92Å; Y136-T139 PolarHBondContact O-OG1 2.94Å; L137-T139 VanDerWaalsContact C-N 3.32Å; L137-T139 PolarHBondContact O-N 3.44Å
140K97.5Very high96.6Very high102 Ų10265.9 Ų65.944%0.44333%0.325SS..THydrogen-bonded Turntrans-90.83.2174.7-59.7-57.4-174.2179.50113.4Y136 L137 I138 Y142 Y159Y136-K140 HydrophobicContact CD1-CG 4.49Å; Y136-K140 HydrophobicContact CE1-CG 4.09Å; Y136-K140 PolarHBondContact O-N 3.12Å; Y136-K140 WeakPolarHBondContact OH-CE 3.39Å; L137-K140 CarbonylContact O-C 3.56Å; L137-K140 WeakPolarHBondContact O-CA 3.36Å; L137-K140 PolarHBondContact O-N 2.82Å; I138-K140 PolarHBondContact O-N 2.9Å; K140-Y142 HydrophobicContact CB-CD2 4.02Å; K140-Y142 HydrophobicContact CB-CE2 4.15Å; K140-Y159 HydrophobicContact CB-CD2 4.33Å; K140-Y159 HydrophobicContact CB-CE2 4.28Å; K140-Y159 HydrophobicContact CD-CE2 4.2Å; K140-Y159 HydrophobicContact CG-CD2 4.32Å; K140-Y159 HydrophobicContact CG-CE2 3.89Å
141G96.8Very high96.7Very high67 Ų6763.8 Ų63.869%0.69132%0.317SS*.THydrogen-bonded Turntrans91.911.2175.600000115.3L137 I138L137-G141 PolarHBondContact O-N 3.25Å; I138-G141 PolarHBondContact O-N 2.86Å
142Y97.4Very high96.8Very high36 Ų3657.3 Ų57.314%0.14129%0.289CS..  trans-84.9126.9175.3-67.9-95.5000110.9L137 K140 K155 K158 Y159 D162L137-Y142 HydrophobicContact CD2-CD2 4.28Å; L137-Y142 PolarHBondContact O-N 3.23Å; L137-Y142 VanDerWaalsContact O-N 3.09Å; K140-Y142 HydrophobicContact CB-CD2 4.02Å; K140-Y142 HydrophobicContact CB-CE2 4.15Å; Y142-K155 HydrophobicContact CD1-CD 4.15Å; Y142-K158 HydrophobicContact CE1-CB 4.25Å; Y142-K158 HydrophobicContact CE1-CD 4.09Å; Y142-K158 HydrophobicContact CE1-CG 3.89Å; Y142-Y159 AromaticContact CE2-CD2 3.87Å; Y142-Y159 HydrophobicContact CE2-CD2 3.87Å; Y142-Y159 HydrophobicContact CE2-CG 4.39Å; Y142-Y159 VanDerWaalsContact OH-CA 3.26Å; Y142-Y159 WeakPolarHBondContact OH-CA 3.4Å; Y142-D162 PolarHBondContact OH-OD2 3.31Å
143E96.2Very high96.9Very high153 Ų15351.5 Ų51.572%0.71526%0.262SS*.  trans-87143.4174-63.8-178.116800111K155E143-K155 WeakPolarHBondContact O-CE 3.33Å
144F97.3Very high96.9Very high40 Ų4050.8 Ų50.818%0.17526%0.258CS..  trans-110.2140.9175.9-76.9-103.5000110.3K134 L137 I138 E151 V152 K155K134-F144 HydrophobicContact CB-CE1 4.36Å; K134-F144 HydrophobicContact CB-CZ 4.13Å; K134-F144 HydrophobicContact CD-CD1 4.01Å; K134-F144 HydrophobicContact CD-CE1 4.22Å; K134-F144 HydrophobicContact CD-CG 4.22Å; K134-F144 HydrophobicContact CG-CD1 4.07Å; K134-F144 HydrophobicContact CG-CD2 4.01Å; K134-F144 HydrophobicContact CG-CE1 3.94Å; K134-F144 HydrophobicContact CG-CE2 3.87Å; K134-F144 HydrophobicContact CG-CG 4.12Å; K134-F144 HydrophobicContact CG-CZ 3.84Å; L137-F144 HydrophobicContact CB-CE2 3.94Å; L137-F144 HydrophobicContact CB-CZ 4.09Å; L137-F144 HydrophobicContact CD1-CZ 3.99Å; I138-F144 HydrophobicContact CD1-CD2 4.19Å; I138-F144 HydrophobicContact CG1-CD2 3.78Å; I138-F144 HydrophobicContact CG1-CE2 3.94Å; F144-E151 WeakPolarHBondContact CA-OE1 3.37Å; F144-E151 HydrophobicContact CD1-CB 4.13Å; F144-E151 HydrophobicContact CD1-CG 3.78Å; F144-E151 HydrophobicContact CE1-CB 4.31Å; F144-E151 HydrophobicContact CE1-CG 4.12Å; F144-V152 HydrophobicContact CE1-CB 4.35Å; F144-V152 HydrophobicContact CE1-CG1 3.77Å; F144-V152 HydrophobicContact CZ-CG1 4.17Å; F144-K155 HydrophobicContact CE1-CG 3.98Å; F144-K155 HydrophobicContact CE2-CG 4.46Å; F144-K155 HydrophobicContact CZ-CB 4.16Å; F144-K155 HydrophobicContact CZ-CG 3.94Å
145E96.3Very high97Very high61 Ų6148.8 Ų48.829%0.28525%0.25SC..  trans-113.1-18.8-179.964.8179.3-165.900113.6L106 R112 E151L106-E145 HydrophobicContact CD1-CB 4.09Å; L106-E145 HydrophobicContact CD1-CG 3.86Å; L106-E145 WeakPolarHBondContact CD2-O 3.45Å; L106-E145 WeakPolarHBondContact CG-O 3.48Å; R112-E145 IonicContact CZ-OE1 3.49Å; R112-E145 IonicContact CZ-OE2 3.13Å; R112-E145 IonicContact NE-OE1 3.39Å; R112-E145 PolarHBondContact NE-OE1 3.35Å; R112-E145 IonicContact NE-OE2 2.78Å; R112-E145 PolarHBondContact NE-OE2 3.48Å; R112-E145 IonicContact NH2-OE1 2.75Å; R112-E145 PolarHBondContact NH2-OE1 3.35Å; R112-E145 IonicContact NH2-OE2 2.68Å; R112-E145 PolarHBondContact NH2-OE2 2.85Å; E145-E151 WeakPolarHBondContact CG-OE1 3.31Å; E145-E151 PolarHBondContact N-OE1 3.3Å; E145-E151 PolarHBondContact N-OE2 3.23Å
146S94.9Very high97Very high2 Ų241.7 Ų41.71%0.01422%0.219CC..  trans-115.3165.1-176.7830000113.1N107 K134 T148 E151N107-S146 WeakPolarHBondContact OD1-CB 3.48Å; K134-S146 PolarHBondContact NZ-O 2.99Å; S146-T148 VanDerWaalsContact C-N 3.32Å; S146-T148 PolarHBondContact OG-N 3.35Å; S146-T148 PolarHBondContact OG-OG1 3.2Å; S146-E151 WeakPolarHBondContact CA-OE2 3.47Å; S146-E151 VanDerWaalsContact CB-OE2 3.29Å; S146-E151 WeakPolarHBondContact CB-OE2 3.43Å; S146-E151 PolarHBondContact N-OE2 2.9Å; S146-E151 VanDerWaalsContact OG-CB 3.32Å; S146-E151 WeakPolarHBondContact OG-CB 3.46Å; S146-E151 PolarHBondContact OG-OE2 2.79Å
147D92.1Very high97Very high110 Ų11037.1 Ų37.159%0.58820%0.201SC*.SBendtrans-95.29.3173.3-63.3-42.5000112.6N107N107-D147 PolarHBondContact OD1-N 3.47Å; N107-D147 VanDerWaalsContact OD1-N 3.14Å
148T94.9Very high97Very high0 Ų038.2 Ų38.20%021%0.206CC..  trans-83.6143.5-177.870.70000111.3N107 Q111 S146 T150 E151N107-T148 HydrophobicContact CB-CG2 3.74Å; N107-T148 WeakPolarHBondContact O-CG2 3.3Å; Q111-T148 PolarHBondContact NE2-OG1 3.03Å; S146-T148 VanDerWaalsContact C-N 3.32Å; S146-T148 PolarHBondContact OG-N 3.35Å; S146-T148 PolarHBondContact OG-OG1 3.2Å; T148-T150 PolarHBondContact O-N 2.95Å; T148-E151 PolarHBondContact OG1-N 2.99Å
149D95.2Very high97.1Very high2 Ų235.7 Ų35.71%0.01119%0.191CC..G310 helixtrans-57-36.8164.965.1-35000111.1H123 I126 I127 Y130 E151 V152H123-D149 IonicContact CE1-OD2 3.12Å; I126-D149 WeakPolarHBondContact CA-OD2 3.46Å; I127-D149 HydrophobicContact CB-CB 4.36Å; I127-D149 PolarHBondContact N-OD2 2.94Å; Y130-D149 HydrophobicContact CD1-CB 4.05Å; Y130-D149 HydrophobicContact CD2-CB 4.14Å; Y130-D149 HydrophobicContact CG-CB 3.76Å; D149-E151 VanDerWaalsContact C-N 3.28Å; D149-E151 PolarHBondContact O-N 2.67Å; D149-V152 WeakPolarHBondContact O-CG2 3.4Å; D149-V152 PolarHBondContact O-N 3.02Å
150T97.4Very high97Very high1 Ų132.3 Ų32.31%0.00617%0.169CC..G310 helixtrans-60-32.2-175.1-57.70000113.6H109 Q111 V121 H123 T148 V152 I153 P154H109-T150 PolarHBondContact CE1-OG1 3.3Å; H109-T150 VanDerWaalsContact CE1-OG1 3.25Å; H109-T150 PolarHBondContact NE2-OG1 3.47Å; Q111-T150 HydrophobicContact CB-CG2 4.01Å; Q111-T150 HydrophobicContact CG-CG2 3.68Å; V121-T150 HydrophobicContact CG1-CG2 4.21Å; H123-T150 HydrophobicContact CB-CG2 3.49Å; H123-T150 VanDerWaalsContact CB-CG2 3.49Å; H123-T150 PolarHBondContact ND1-OG1 3.26Å; T148-T150 PolarHBondContact O-N 2.95Å; T150-V152 PolarHBondContact O-N 3.49Å; T150-I153 HydrophobicContact CG2-CD1 4.45Å; T150-I153 WeakPolarHBondContact O-CB 3.38Å; T150-I153 WeakPolarHBondContact O-CG1 3.42Å; T150-I153 PolarHBondContact O-N 3.26Å; T150-I153 VanDerWaalsContact O-N 3.07Å; T150-P154 WeakPolarHBondContact O-CD 3.33Å
151E98Very high97Very high0 Ų029.1 Ų29.10%015%0.154CC..G310 helixtrans-64.1-21.5-178-171.3-177.9-178.100113.3F144 E145 S146 T148 D149 I153 P154 K155F144-E151 WeakPolarHBondContact CA-OE1 3.37Å; F144-E151 HydrophobicContact CD1-CB 4.13Å; F144-E151 HydrophobicContact CD1-CG 3.78Å; F144-E151 HydrophobicContact CE1-CB 4.31Å; F144-E151 HydrophobicContact CE1-CG 4.12Å; E145-E151 WeakPolarHBondContact CG-OE1 3.31Å; E145-E151 PolarHBondContact N-OE1 3.3Å; E145-E151 PolarHBondContact N-OE2 3.23Å; S146-E151 WeakPolarHBondContact CA-OE2 3.47Å; S146-E151 VanDerWaalsContact CB-OE2 3.29Å; S146-E151 WeakPolarHBondContact CB-OE2 3.43Å; S146-E151 PolarHBondContact N-OE2 2.9Å; S146-E151 VanDerWaalsContact OG-CB 3.32Å; S146-E151 WeakPolarHBondContact OG-CB 3.46Å; S146-E151 PolarHBondContact OG-OE2 2.79Å; T148-E151 PolarHBondContact OG1-N 2.99Å; D149-E151 VanDerWaalsContact C-N 3.28Å; D149-E151 PolarHBondContact O-N 2.67Å; E151-I153 PolarHBondContact O-N 3.05Å; E151-P154 WeakPolarHBondContact O-CD 3.48Å; E151-P154 WeakPolarHBondContact O-CG 3.37Å; E151-K155 HydrophobicContact CG-CG 4.24Å; E151-K155 WeakPolarHBondContact O-CG 3.27Å; E151-K155 PolarHBondContact O-N 3.24Å; E151-K155 IonicContact OE1-NZ 2.8Å; E151-K155 PolarHBondContact OE1-NZ 3.27Å
152V98.1Very high96.9Very high0 Ų029.3 Ų29.30%014%0.139CC..Hα-helixtrans-64.4-28.6175.2-51.40000112I127 L133 K134 L137 F144 D149 T150 L156I127-V152 HydrophobicContact CG2-CG2 4.37Å; L133-V152 HydrophobicContact CB-CB 4.17Å; L133-V152 HydrophobicContact CB-CG1 4.45Å; L133-V152 HydrophobicContact CB-CG2 4.32Å; L133-V152 HydrophobicContact CD1-CG2 4.01Å; K134-V152 HydrophobicContact CB-CG1 3.92Å; L137-V152 HydrophobicContact CD1-CB 4.48Å; F144-V152 HydrophobicContact CE1-CB 4.35Å; F144-V152 HydrophobicContact CE1-CG1 3.77Å; F144-V152 HydrophobicContact CZ-CG1 4.17Å; D149-V152 WeakPolarHBondContact O-CG2 3.4Å; D149-V152 PolarHBondContact O-N 3.02Å; T150-V152 PolarHBondContact O-N 3.49Å; V152-L156 WeakPolarHBondContact O-CB 3.47Å; V152-L156 PolarHBondContact O-N 3.33Å
153I98.4Very high96.8Very high0 Ų032.2 Ų32.20%016%0.157CC..Hα-helixtrans-67.2-55.6-175.6-53.1176.3000112.1V121 H123 I127 T150 E151 K155 L156 I157 V178 L182 L188 F190V121-I153 HydrophobicContact CG1-CB 4.19Å; V121-I153 HydrophobicContact CG1-CG2 4.18Å; V121-I153 HydrophobicContact CG2-CG2 4.27Å; H123-I153 HydrophobicContact CB-CD1 4.42Å; I127-I153 HydrophobicContact CD1-CD1 4Å; I127-I153 HydrophobicContact CG1-CD1 3.86Å; I127-I153 HydrophobicContact CG1-CG1 4.21Å; T150-I153 HydrophobicContact CG2-CD1 4.45Å; T150-I153 WeakPolarHBondContact O-CB 3.38Å; T150-I153 WeakPolarHBondContact O-CG1 3.42Å; T150-I153 PolarHBondContact O-N 3.26Å; T150-I153 VanDerWaalsContact O-N 3.07Å; E151-I153 PolarHBondContact O-N 3.05Å; I153-K155 VanDerWaalsContact C-N 3.27Å; I153-K155 PolarHBondContact O-N 3.34Å; I153-L156 PolarHBondContact O-N 3.34Å; I153-I157 PolarHBondContact O-N 2.96Å; I153-V178 HydrophobicContact CG2-CG1 4.11Å; I153-L182 HydrophobicContact CD1-CD1 4.28Å; I153-L182 HydrophobicContact CG1-CD1 4.16Å; I153-L182 HydrophobicContact CG1-CD2 4.25Å; I153-L182 HydrophobicContact CG2-CD1 4.43Å; I153-L188 HydrophobicContact CD1-CD1 4.27Å; I153-L188 HydrophobicContact CD1-CD2 3.54Å; I153-L188 HydrophobicContact CG2-CD1 4.28Å; I153-F190 HydrophobicContact CG2-CE1 3.61Å; I153-F190 HydrophobicContact CG2-CZ 3.58Å
154P98.4Very high96.6Very high0 Ų028.1 Ų28.10%014%0.135CC..Hα-helixtrans-70.2-24.4178.631.5-37.1000112.2Q111 S113 V121 T150 E151 I157 K158Q111-P154 HydrophobicContact CB-CG 4.05Å; S113-P154 WeakPolarHBondContact CB-O 3.45Å; V121-P154 HydrophobicContact CG1-CB 4.17Å; V121-P154 HydrophobicContact CG1-CG 4.03Å; T150-P154 WeakPolarHBondContact O-CD 3.33Å; E151-P154 WeakPolarHBondContact O-CD 3.48Å; E151-P154 WeakPolarHBondContact O-CG 3.37Å; P154-I157 WeakPolarHBondContact O-CG2 3.39Å; P154-K158 WeakPolarHBondContact O-CB 3.28Å; P154-K158 PolarHBondContact O-N 2.97Å
155K98.5Very high96.1Very high7 Ų733.4 Ų33.43%0.0316%0.16CC..Hα-helixtrans-69.2-42.2171.4-63.6-66.7-171.1-65.80111.4R112 S113 L137 Y142 E143 F144 E151 I153 K158 Y159R112-K155 PolarHBondContact O-NZ 3.09Å; S113-K155 WeakPolarHBondContact O-CD 3.37Å; S113-K155 WeakPolarHBondContact O-CE 3.44Å; S113-K155 PolarHBondContact O-NZ 3.16Å; L137-K155 HydrophobicContact CD1-CB 3.79Å; Y142-K155 HydrophobicContact CD1-CD 4.15Å; E143-K155 WeakPolarHBondContact O-CE 3.33Å; F144-K155 HydrophobicContact CE1-CG 3.98Å; F144-K155 HydrophobicContact CE2-CG 4.46Å; F144-K155 HydrophobicContact CZ-CB 4.16Å; F144-K155 HydrophobicContact CZ-CG 3.94Å; E151-K155 HydrophobicContact CG-CG 4.24Å; E151-K155 WeakPolarHBondContact O-CG 3.27Å; E151-K155 PolarHBondContact O-N 3.24Å; E151-K155 IonicContact OE1-NZ 2.8Å; E151-K155 PolarHBondContact OE1-NZ 3.27Å; I153-K155 VanDerWaalsContact C-N 3.27Å; I153-K155 PolarHBondContact O-N 3.34Å; K155-K158 PolarHBondContact O-N 3.31Å; K155-Y159 PolarHBondContact O-N 3.32Å
156L98.5Very high95.7Very high6 Ų634.1 Ų34.13%0.03117%0.166CC..Hα-helixtrans-67.1-44.2178.7-178.661.1000112.5L133 L137 V152 I153 K158 Y159 L160 V178 Q181 L182L133-L156 HydrophobicContact CD2-CD2 4.45Å; L137-L156 HydrophobicContact CD1-CB 4.23Å; L137-L156 HydrophobicContact CD2-CD1 4.43Å; V152-L156 WeakPolarHBondContact O-CB 3.47Å; V152-L156 PolarHBondContact O-N 3.33Å; I153-L156 PolarHBondContact O-N 3.34Å; L156-K158 VanDerWaalsContact C-N 3.27Å; L156-K158 PolarHBondContact O-N 3.46Å; L156-Y159 HydrophobicContact CD1-CD1 4.32Å; L156-Y159 WeakPolarHBondContact O-CB 3.45Å; L156-Y159 PolarHBondContact O-N 3.36Å; L156-L160 HydrophobicContact CG-CD1 4.26Å; L156-L160 WeakPolarHBondContact O-CG 3.49Å; L156-L160 PolarHBondContact O-N 3.44Å; L156-V178 HydrophobicContact CD2-CG1 4.2Å; L156-V178 HydrophobicContact CG-CG2 4.4Å; L156-Q181 HydrophobicContact CD2-CB 3.84Å; L156-Q181 HydrophobicContact CD2-CG 4.36Å; L156-L182 HydrophobicContact CD2-CD2 4.28Å
157I98.3Very high95.2Very high0 Ų040.7 Ų40.70%020%0.201CC..Hα-helixtrans-63.2-37.4177.3-161.7170.3000111.4F119 I153 P154 L160 Y161 F171 L174 V175 V178 F190F119-I157 HydrophobicContact CB-CG2 3.61Å; F119-I157 HydrophobicContact CD1-CD1 4.02Å; F119-I157 HydrophobicContact CD1-CG1 4.21Å; F119-I157 HydrophobicContact CD1-CG2 3.74Å; F119-I157 HydrophobicContact CD2-CG2 4.23Å; F119-I157 HydrophobicContact CE1-CD1 4.23Å; F119-I157 HydrophobicContact CE1-CG1 4.25Å; F119-I157 HydrophobicContact CE1-CG2 4.46Å; F119-I157 HydrophobicContact CG-CG2 3.6Å; I153-I157 PolarHBondContact O-N 2.96Å; P154-I157 WeakPolarHBondContact O-CG2 3.39Å; I157-L160 PolarHBondContact O-N 3.13Å; I157-Y161 WeakPolarHBondContact O-CB 3.36Å; I157-Y161 PolarHBondContact O-N 3.21Å; I157-F171 HydrophobicContact CD1-CD2 4.38Å; I157-F171 HydrophobicContact CD1-CE2 3.81Å; I157-L174 HydrophobicContact CD1-CB 4.21Å; I157-L174 HydrophobicContact CG1-CB 3.98Å; I157-V175 HydrophobicContact CD1-CG2 3.77Å; I157-V178 HydrophobicContact CB-CG2 3.59Å; I157-V178 HydrophobicContact CD1-CG2 4.35Å; I157-V178 HydrophobicContact CG1-CG2 3.8Å; I157-F190 HydrophobicContact CD1-CD1 3.79Å; I157-F190 HydrophobicContact CD1-CE1 3.93Å
158K98Very high94.9Very high23 Ų2339.9 Ų39.910%0.120%0.204CC..Hα-helixtrans-65.5-43.3174.1179.6165.417448.80111.6D114 E118 F119 Y142 P154 K155 L156 L160 Y161 D162D114-K158 HydrophobicContact CB-CD 4.46Å; D114-K158 WeakPolarHBondContact OD2-CD 3.13Å; D114-K158 WeakPolarHBondContact OD2-CE 3.29Å; E118-K158 IonicContact OE1-NZ 3.82Å; E118-K158 PolarHBondContact OE1-NZ 2.86Å; E118-K158 IonicContact OE2-NZ 2.81Å; E118-K158 PolarHBondContact OE2-NZ 2.83Å; F119-K158 HydrophobicContact CD2-CB 4.01Å; F119-K158 HydrophobicContact CE2-CB 4.38Å; Y142-K158 HydrophobicContact CE1-CB 4.25Å; Y142-K158 HydrophobicContact CE1-CD 4.09Å; Y142-K158 HydrophobicContact CE1-CG 3.89Å; P154-K158 WeakPolarHBondContact O-CB 3.28Å; P154-K158 PolarHBondContact O-N 2.97Å; K155-K158 PolarHBondContact O-N 3.31Å; L156-K158 VanDerWaalsContact C-N 3.27Å; L156-K158 PolarHBondContact O-N 3.46Å; K158-L160 VanDerWaalsContact C-N 3.31Å; K158-L160 PolarHBondContact O-N 3.29Å; K158-Y161 WeakPolarHBondContact O-CB 3.26Å; K158-Y161 PolarHBondContact O-N 3.28Å; K158-D162 WeakPolarHBondContact CE-OD2 3.27Å; K158-D162 VanDerWaalsContact CG-OD2 3.32Å; K158-D162 WeakPolarHBondContact CG-OD2 3.5Å; K158-D162 IonicContact NZ-OD1 3.52Å; K158-D162 PolarHBondContact NZ-OD1 3.21Å; K158-D162 IonicContact NZ-OD2 2.84Å; K158-D162 PolarHBondContact NZ-OD2 3Å; K158-D162 WeakPolarHBondContact O-CB 3.39Å; K158-D162 PolarHBondContact O-N 3.32Å
159Y98.1Very high94.7Very high39 Ų3940.5 Ų40.515%0.15321%0.208CC..Hα-helixtrans-55.4-45.8173.1172.5-104.5000112.3Y136 L137 K140 Y142 K155 L156 D162 N163Y136-Y159 HydrophobicContact CE1-CD1 4.34Å; Y136-Y159 AromaticContact CE1-CE1 3.85Å; Y136-Y159 HydrophobicContact CE1-CE1 3.85Å; Y136-Y159 PolarHBondContact OH-OH 3.47Å; L137-Y159 HydrophobicContact CD2-CG 4.12Å; K140-Y159 HydrophobicContact CB-CD2 4.33Å; K140-Y159 HydrophobicContact CB-CE2 4.28Å; K140-Y159 HydrophobicContact CD-CE2 4.2Å; K140-Y159 HydrophobicContact CG-CD2 4.32Å; K140-Y159 HydrophobicContact CG-CE2 3.89Å; Y142-Y159 AromaticContact CE2-CD2 3.87Å; Y142-Y159 HydrophobicContact CE2-CD2 3.87Å; Y142-Y159 HydrophobicContact CE2-CG 4.39Å; Y142-Y159 VanDerWaalsContact OH-CA 3.26Å; Y142-Y159 WeakPolarHBondContact OH-CA 3.4Å; K155-Y159 PolarHBondContact O-N 3.32Å; L156-Y159 HydrophobicContact CD1-CD1 4.32Å; L156-Y159 WeakPolarHBondContact O-CB 3.45Å; L156-Y159 PolarHBondContact O-N 3.36Å; Y159-D162 PolarHBondContact O-N 2.93Å; Y159-N163 WeakPolarHBondContact CD2-ND2 3.39Å; Y159-N163 VanDerWaalsContact CE2-ND2 3.26Å; Y159-N163 WeakPolarHBondContact CE2-ND2 3.31Å; Y159-N163 WeakPolarHBondContact O-CB 3.32Å; Y159-N163 PolarHBondContact O-N 3.18Å; Y159-N163 VanDerWaalsContact O-N 3.12Å; Y159-N163 PolarHBondContact O-ND2 3.32Å
160L96.9Very high94.6Very high30 Ų3042.7 Ų42.716%0.15722%0.222CC..Hα-helixtrans-66.4-37.1177.5-68.1166.2000112.5L156 I157 K158 N163 R164 L174 R177 V178L156-L160 HydrophobicContact CG-CD1 4.26Å; L156-L160 WeakPolarHBondContact O-CG 3.49Å; L156-L160 PolarHBondContact O-N 3.44Å; I157-L160 PolarHBondContact O-N 3.13Å; K158-L160 VanDerWaalsContact C-N 3.31Å; K158-L160 PolarHBondContact O-N 3.29Å; L160-N163 CarbonylContact O-C 3.58Å; L160-N163 PolarHBondContact O-N 2.97Å; L160-R164 PolarHBondContact O-N 2.96Å; L160-L174 HydrophobicContact CB-CD2 4.19Å; L160-R177 HydrophobicContact CD1-CB 3.7Å; L160-R177 HydrophobicContact CD2-CB 4.27Å; L160-V178 HydrophobicContact CD1-CB 4.43Å; L160-V178 HydrophobicContact CD1-CG2 3.61Å
161Y96.7Very high94.5Very high35 Ų3542.7 Ų42.714%0.13722%0.221CC..Hα-helixtrans-65-46.7174.2179.6-104000111.9F119 I157 K158 N163 R164 L174 H194 Y195F119-Y161 HydrophobicContact CE2-CD1 4Å; F119-Y161 AromaticContact CE2-CG 3.91Å; F119-Y161 HydrophobicContact CE2-CG 3.91Å; F119-Y161 HydrophobicContact CZ-CD1 4.17Å; F119-Y161 AromaticContact CZ-CD2 3.93Å; F119-Y161 HydrophobicContact CZ-CD2 3.93Å; F119-Y161 AromaticContact CZ-CG 3.69Å; F119-Y161 HydrophobicContact CZ-CG 3.69Å; I157-Y161 WeakPolarHBondContact O-CB 3.36Å; I157-Y161 PolarHBondContact O-N 3.21Å; K158-Y161 WeakPolarHBondContact O-CB 3.26Å; K158-Y161 PolarHBondContact O-N 3.28Å; Y161-N163 PolarHBondContact O-N 2.97Å; Y161-R164 VanDerWaalsContact CZ-NH1 3.33Å; Y161-R164 WeakPolarHBondContact O-CB 3.41Å; Y161-R164 VanDerWaalsContact O-CD 3.31Å; Y161-R164 WeakPolarHBondContact O-CD 3.37Å; Y161-R164 WeakPolarHBondContact O-CG 3.46Å; Y161-R164 PolarHBondContact O-N 3.37Å; Y161-R164 PolarHBondContact O-NH1 2.99Å; Y161-L174 HydrophobicContact CD2-CD1 3.87Å; Y161-H194 AromaticContact CE1-CD2 3.56Å; Y161-H194 AromaticContact CE1-CE1 3.73Å; Y161-H194 AromaticContact CE1-CG 3.95Å; Y161-H194 AromaticContact CE1-NE2 3.4Å; Y161-H194 WeakPolarHBondContact CE1-NE2 3.31Å; Y161-H194 HydrophobicContact CE2-CB 4.27Å; Y161-H194 AromaticContact CZ-CD2 3.65Å; Y161-H194 AromaticContact CZ-CE1 3.99Å; Y161-H194 AromaticContact CZ-CG 3.61Å; Y161-H194 AromaticContact CZ-ND1 3.85Å; Y161-H194 AromaticContact CZ-NE2 3.89Å; Y161-H194 PolarHBondContact OH-ND1 3.22Å; Y161-Y195 HydrophobicContact CD2-CE2 4.47Å; Y161-Y195 HydrophobicContact CE2-CE2 4.37Å
162D95.6Very high94.3Very high71 Ų7143.5 Ų43.538%0.3823%0.227SC..Hα-helixtrans-66.4-22.8-178.9-64.6-21.2000111.9Y142 K158 Y159Y142-D162 PolarHBondContact OH-OD2 3.31Å; K158-D162 WeakPolarHBondContact CE-OD2 3.27Å; K158-D162 VanDerWaalsContact CG-OD2 3.32Å; K158-D162 WeakPolarHBondContact CG-OD2 3.5Å; K158-D162 IonicContact NZ-OD1 3.52Å; K158-D162 PolarHBondContact NZ-OD1 3.21Å; K158-D162 IonicContact NZ-OD2 2.84Å; K158-D162 PolarHBondContact NZ-OD2 3Å; K158-D162 WeakPolarHBondContact O-CB 3.39Å; K158-D162 PolarHBondContact O-N 3.32Å; Y159-D162 PolarHBondContact O-N 2.93Å
163N94.3Very high94.1Very high97 Ų9745.1 Ų45.152%0.51924%0.237SC..THydrogen-bonded Turntrans-11123.8179.6-64.5-97.6000112.9Y159 L160 Y161Y159-N163 WeakPolarHBondContact CD2-ND2 3.39Å; Y159-N163 VanDerWaalsContact CE2-ND2 3.26Å; Y159-N163 WeakPolarHBondContact CE2-ND2 3.31Å; Y159-N163 WeakPolarHBondContact O-CB 3.32Å; Y159-N163 PolarHBondContact O-N 3.18Å; Y159-N163 VanDerWaalsContact O-N 3.12Å; Y159-N163 PolarHBondContact O-ND2 3.32Å; L160-N163 CarbonylContact O-C 3.58Å; L160-N163 PolarHBondContact O-N 2.97Å; Y161-N163 PolarHBondContact O-N 2.97Å
164R92.7Very high94Very high67 Ų6745.1 Ų45.125%0.25324%0.237SC..  trans-67.1147.3-179.667.9-171176.4-89.11.7112L160 Y161 N166 D167 V169L160-R164 PolarHBondContact O-N 2.96Å; Y161-R164 VanDerWaalsContact CZ-NH1 3.33Å; Y161-R164 WeakPolarHBondContact O-CB 3.41Å; Y161-R164 VanDerWaalsContact O-CD 3.31Å; Y161-R164 WeakPolarHBondContact O-CD 3.37Å; Y161-R164 WeakPolarHBondContact O-CG 3.46Å; Y161-R164 PolarHBondContact O-N 3.37Å; Y161-R164 PolarHBondContact O-NH1 2.99Å; R164-N166 VanDerWaalsContact C-N 3.35Å; R164-N166 VanDerWaalsContact CD-O 3.26Å; R164-N166 WeakPolarHBondContact CD-O 3.39Å; R164-N166 WeakPolarHBondContact CG-O 3.45Å; R164-D167 IonicContact CZ-OD1 3.47Å; R164-D167 VanDerWaalsContact CZ-OD1 3.29Å; R164-D167 IonicContact NE-OD1 3.37Å; R164-D167 PolarHBondContact NE-OD1 2.84Å; R164-D167 IonicContact NH2-OD1 2.72Å; R164-D167 PolarHBondContact NH2-OD1 3.33Å; R164-V169 HydrophobicContact CB-CG2 4.08Å
165E87.1Confident93.9Very high151 Ų15145.1 Ų45.171%0.70624%0.237SC*.SBendtrans-70-32.2179.5-67.6158.2-125.700112.6R177E165-R177 IonicContact OE1-CZ 3.8Å; E165-R177 IonicContact OE1-NH1 3.72Å; E165-R177 IonicContact OE1-NH2 3.51Å; E165-R177 PolarHBondContact OE1-NH2 3.49Å
166N88Confident93.8Very high75 Ų7545.9 Ų45.940%0.40124%0.241SC..SBendtrans-150.3162179.760.455.5000111.2R164 S168 V169R164-N166 VanDerWaalsContact C-N 3.35Å; R164-N166 VanDerWaalsContact CD-O 3.26Å; R164-N166 WeakPolarHBondContact CD-O 3.39Å; R164-N166 WeakPolarHBondContact CG-O 3.45Å; N166-S168 PolarHBondContact O-N 2.95Å; N166-S168 WeakPolarHBondContact OD1-CA 3.28Å; N166-S168 PolarHBondContact OD1-N 2.77Å; N166-S168 VanDerWaalsContact OD1-N 3.09Å; N166-S168 PolarHBondContact OD1-OG 2.85Å; N166-V169 WeakPolarHBondContact O-CG2 3.41Å; N166-V169 WeakPolarHBondContact OD1-CG2 3.45Å; N166-V169 PolarHBondContact OD1-N 3.45Å; N166-V169 VanDerWaalsContact OD1-N 3.16Å
167D83.8Confident93.6Very high140 Ų14048.6 Ų48.675%0.74925%0.25SS*.THydrogen-bonded Turntrans-74-5.6177.8-70.5-35.7000113.9R164R164-D167 IonicContact CZ-OD1 3.47Å; R164-D167 VanDerWaalsContact CZ-OD1 3.29Å; R164-D167 IonicContact NE-OD1 3.37Å; R164-D167 PolarHBondContact NE-OD1 2.84Å; R164-D167 IonicContact NH2-OD1 2.72Å; R164-D167 PolarHBondContact NH2-OD1 3.33Å
168S85.1Confident93.6Very high93 Ų9348.6 Ų48.665%0.6525%0.25SS*.THydrogen-bonded Turntrans-93.36.8-179.852.20000114.7N166 T170N166-S168 PolarHBondContact O-N 2.95Å; N166-S168 WeakPolarHBondContact OD1-CA 3.28Å; N166-S168 PolarHBondContact OD1-N 2.77Å; N166-S168 VanDerWaalsContact OD1-N 3.09Å; N166-S168 PolarHBondContact OD1-OG 2.85Å; S168-T170 PolarHBondContact O-N 3.41Å
169V91.4Very high93.5Very high14 Ų1447.5 Ų47.59%0.08525%0.246CC..  trans-61.8126.2178.4177.10000110.1R164 N166 T173 L174 Y195R164-V169 HydrophobicContact CB-CG2 4.08Å; N166-V169 WeakPolarHBondContact O-CG2 3.41Å; N166-V169 WeakPolarHBondContact OD1-CG2 3.45Å; N166-V169 PolarHBondContact OD1-N 3.45Å; N166-V169 VanDerWaalsContact OD1-N 3.16Å; V169-T173 HydrophobicContact CG1-CG2 4.04Å; V169-L174 HydrophobicContact CG1-CD2 3.83Å; V169-L174 HydrophobicContact CG1-CG 3.84Å; V169-Y195 WeakPolarHBondContact O-CE1 3.35Å; V169-Y195 PolarHBondContact O-OH 3.26Å
170T93.5Very high93.3Very high48 Ų4850.3 Ų50.329%0.29426%0.26SS..  trans-74.2155.517967.30000111.6S168 S172 T173 L174S168-T170 PolarHBondContact O-N 3.41Å; T170-S172 VanDerWaalsContact C-N 3.29Å; T170-S172 PolarHBondContact O-N 3.21Å; T170-S172 PolarHBondContact OG1-OG 3.36Å; T170-T173 PolarHBondContact O-N 2.85Å; T170-T173 WeakPolarHBondContact OG1-CB 3.42Å; T170-T173 PolarHBondContact OG1-N 2.92Å; T170-T173 PolarHBondContact OG1-OG1 3.43Å; T170-L174 PolarHBondContact O-N 3.14Å
171F95.4Very high93.3Very high0 Ų053.7 Ų53.70%028%0.275CS..Hα-helixtrans-60.4-40.3177.7-163.6-172.1000112.2F119 I157 T173 L174 V175 F190 Y195 E198 V200F119-F171 HydrophobicContact CD1-CE2 4.21Å; F119-F171 HydrophobicContact CE1-CE2 4.15Å; I157-F171 HydrophobicContact CD1-CD2 4.38Å; I157-F171 HydrophobicContact CD1-CE2 3.81Å; F171-T173 VanDerWaalsContact C-N 3.33Å; F171-T173 PolarHBondContact O-N 3.18Å; F171-L174 PolarHBondContact O-N 3.27Å; F171-V175 HydrophobicContact CD2-CG2 4.25Å; F171-V175 HydrophobicContact CE2-CG2 4.2Å; F171-V175 PolarHBondContact O-N 3.29Å; F171-V175 VanDerWaalsContact O-N 3.11Å; F171-F190 HydrophobicContact CE1-CB 4.41Å; F171-F190 HydrophobicContact CE2-CB 4.04Å; F171-F190 HydrophobicContact CZ-CB 3.57Å; F171-Y195 HydrophobicContact CB-CD1 3.74Å; F171-Y195 HydrophobicContact CB-CD2 3.94Å; F171-Y195 HydrophobicContact CB-CE1 4.05Å; F171-Y195 HydrophobicContact CB-CE2 4.24Å; F171-Y195 HydrophobicContact CB-CG 3.68Å; F171-Y195 HydrophobicContact CD1-CD2 4.18Å; F171-Y195 HydrophobicContact CD1-CG 4Å; F171-Y195 AromaticContact CD2-CD2 3.85Å; F171-Y195 HydrophobicContact CD2-CD2 3.85Å; F171-Y195 HydrophobicContact CD2-CE2 4.14Å; F171-Y195 HydrophobicContact CD2-CG 4.38Å; F171-Y195 HydrophobicContact CE2-CD2 4.38Å; F171-Y195 HydrophobicContact CG-CD1 4.37Å; F171-Y195 AromaticContact CG-CD2 3.74Å; F171-Y195 HydrophobicContact CG-CD2 3.74Å; F171-Y195 HydrophobicContact CG-CE2 4.28Å; F171-Y195 AromaticContact CG-CG 3.79Å; F171-Y195 HydrophobicContact CG-CG 3.79Å; F171-E198 WeakPolarHBondContact CB-OE2 3.42Å; F171-E198 HydrophobicContact CD1-CB 4.07Å; F171-V200 HydrophobicContact CB-CG2 3.85Å; F171-V200 HydrophobicContact CD1-CB 4.25Å; F171-V200 HydrophobicContact CD1-CG2 3.43Å; F171-V200 VanDerWaalsContact CD1-CG2 3.43Å; F171-V200 HydrophobicContact CD2-CG2 4.24Å; F171-V200 HydrophobicContact CE1-CB 4.35Å; F171-V200 HydrophobicContact CE1-CG2 3.99Å; F171-V200 HydrophobicContact CG-CB 4.46Å; F171-V200 HydrophobicContact CG-CG2 3.56Å
172S94.3Very high93.3Very high17 Ų1752.2 Ų52.212%0.11927%0.27CS..Hα-helixtrans-59.5-40.6175.755.60000112.8T170 L174 V175 E176T170-S172 VanDerWaalsContact C-N 3.29Å; T170-S172 PolarHBondContact O-N 3.21Å; T170-S172 PolarHBondContact OG1-OG 3.36Å; S172-L174 VanDerWaalsContact C-N 3.35Å; S172-L174 PolarHBondContact O-N 3.18Å; S172-V175 PolarHBondContact O-N 3Å; S172-E176 WeakPolarHBondContact O-CB 3.34Å; S172-E176 PolarHBondContact O-N 2.92Å
173T93.9Very high93.3Very high35 Ų3554.3 Ų54.322%0.21528%0.277CS..Hα-helixtrans-64.9-37.8177.9-56.80000111.7V169 T170 F171 E176 R177V169-T173 HydrophobicContact CG1-CG2 4.04Å; T170-T173 PolarHBondContact O-N 2.85Å; T170-T173 WeakPolarHBondContact OG1-CB 3.42Å; T170-T173 PolarHBondContact OG1-N 2.92Å; T170-T173 PolarHBondContact OG1-OG1 3.43Å; F171-T173 VanDerWaalsContact C-N 3.33Å; F171-T173 PolarHBondContact O-N 3.18Å; T173-E176 WeakPolarHBondContact O-CB 3.38Å; T173-E176 PolarHBondContact O-N 3.07Å; T173-R177 WeakPolarHBondContact O-CG 3.17Å; T173-R177 PolarHBondContact O-N 3.07Å; T173-R177 VanDerWaalsContact O-N 3.09Å
174L96.2Very high93.1Very high0 Ų051.2 Ų51.20%027%0.268CS..Hα-helixtrans-64.6-46.2174.7-68.1173.9000111.2F119 I157 L160 Y161 V169 T170 F171 S172 E176 R177 V178 Y195F119-L174 HydrophobicContact CE1-CD1 4.41Å; F119-L174 HydrophobicContact CZ-CD1 4.43Å; I157-L174 HydrophobicContact CD1-CB 4.21Å; I157-L174 HydrophobicContact CG1-CB 3.98Å; L160-L174 HydrophobicContact CB-CD2 4.19Å; Y161-L174 HydrophobicContact CD2-CD1 3.87Å; V169-L174 HydrophobicContact CG1-CD2 3.83Å; V169-L174 HydrophobicContact CG1-CG 3.84Å; T170-L174 PolarHBondContact O-N 3.14Å; F171-L174 PolarHBondContact O-N 3.27Å; S172-L174 VanDerWaalsContact C-N 3.35Å; S172-L174 PolarHBondContact O-N 3.18Å; L174-E176 VanDerWaalsContact C-N 3.3Å; L174-E176 PolarHBondContact O-N 2.97Å; L174-R177 PolarHBondContact O-N 3.42Å; L174-V178 WeakPolarHBondContact O-CG2 3.44Å; L174-V178 PolarHBondContact O-N 3.11Å; L174-Y195 HydrophobicContact CD1-CE2 3.75Å; L174-Y195 WeakPolarHBondContact CD1-OH 3.47Å
175V96.4Very high93Very high0 Ų049.4 Ų49.40%027%0.268CS..Hα-helixtrans-63.8-37.9178.1174.20000111.1I157 F171 S172 R177 V178 I179 F190 V200 T202 I286I157-V175 HydrophobicContact CD1-CG2 3.77Å; F171-V175 HydrophobicContact CD2-CG2 4.25Å; F171-V175 HydrophobicContact CE2-CG2 4.2Å; F171-V175 PolarHBondContact O-N 3.29Å; F171-V175 VanDerWaalsContact O-N 3.11Å; S172-V175 PolarHBondContact O-N 3Å; V175-R177 PolarHBondContact O-N 2.87Å; V175-V178 WeakPolarHBondContact O-CB 3.48Å; V175-V178 PolarHBondContact O-N 2.89Å; V175-V178 VanDerWaalsContact O-N 3.16Å; V175-I179 HydrophobicContact CG1-CG2 4.39Å; V175-I179 PolarHBondContact O-N 3.16Å; V175-F190 HydrophobicContact CB-CE2 4.46Å; V175-F190 HydrophobicContact CG1-CD2 4.04Å; V175-F190 HydrophobicContact CG1-CE2 3.66Å; V175-F190 HydrophobicContact CG1-CZ 4.32Å; V175-F190 HydrophobicContact CG2-CB 4.42Å; V175-F190 HydrophobicContact CG2-CD1 4.36Å; V175-F190 HydrophobicContact CG2-CD2 3.73Å; V175-F190 HydrophobicContact CG2-CE2 3.97Å; V175-F190 HydrophobicContact CG2-CG 3.94Å; V175-F190 HydrophobicContact CG2-CZ 4.37Å; V175-V200 HydrophobicContact CB-CG1 3.76Å; V175-V200 HydrophobicContact CG1-CG1 3.87Å; V175-V200 HydrophobicContact CG2-CB 4.03Å; V175-V200 HydrophobicContact CG2-CG1 3.6Å; V175-T202 HydrophobicContact CG1-CG2 3.87Å; V175-I286 HydrophobicContact CG1-CG2 4.46Å
176E95Very high93.4Very high22 Ų2242.2 Ų42.210%0.10323%0.234CC..Hα-helixtrans-56.3-50.3172.9-171.3-173.9143.700111.7S172 T173 L174 V178 I179 Q180 N228 I286 I299S172-E176 WeakPolarHBondContact O-CB 3.34Å; S172-E176 PolarHBondContact O-N 2.92Å; T173-E176 WeakPolarHBondContact O-CB 3.38Å; T173-E176 PolarHBondContact O-N 3.07Å; L174-E176 VanDerWaalsContact C-N 3.3Å; L174-E176 PolarHBondContact O-N 2.97Å; E176-V178 VanDerWaalsContact C-N 3.26Å; E176-V178 PolarHBondContact O-N 2.75Å; E176-I179 VanDerWaalsContact O-CG1 3.22Å; E176-I179 WeakPolarHBondContact O-CG1 3.29Å; E176-I179 PolarHBondContact O-N 2.85Å; E176-Q180 WeakPolarHBondContact O-CG 3.46Å; E176-Q180 PolarHBondContact O-N 3.16Å; E176-N228 PolarHBondContact OE2-ND2 2.98Å; E176-I286 HydrophobicContact CB-CD1 3.59Å; E176-I286 HydrophobicContact CG-CD1 3.83Å; E176-I299 HydrophobicContact CG-CD1 3.81Å; E176-I299 HydrophobicContact CG-CG1 3.48Å; E176-I299 VanDerWaalsContact CG-CG1 3.48Å
177R95.4Very high93.8Very high63 Ų6338.7 Ų38.724%0.23822%0.215CC..Hα-helixtrans-62.8-33177.2-69171.1-176.9-156.7-6.7112.2L160 E165 T173 L174 V175L160-R177 HydrophobicContact CD1-CB 3.7Å; L160-R177 HydrophobicContact CD2-CB 4.27Å; E165-R177 IonicContact OE1-CZ 3.8Å; E165-R177 IonicContact OE1-NH1 3.72Å; E165-R177 IonicContact OE1-NH2 3.51Å; E165-R177 PolarHBondContact OE1-NH2 3.49Å; T173-R177 WeakPolarHBondContact O-CG 3.17Å; T173-R177 PolarHBondContact O-N 3.07Å; T173-R177 VanDerWaalsContact O-N 3.09Å; L174-R177 PolarHBondContact O-N 3.42Å; V175-R177 PolarHBondContact O-N 2.87Å
178V97.2Very high94.5Very high0 Ų032 Ų320%018%0.179CC..Hα-helixtrans-64.2-55.5174.3169.30000110.5I153 L156 I157 L160 L174 V175 E176 Q180 Q181 L182 F190I153-V178 HydrophobicContact CG2-CG1 4.11Å; L156-V178 HydrophobicContact CD2-CG1 4.2Å; L156-V178 HydrophobicContact CG-CG2 4.4Å; I157-V178 HydrophobicContact CB-CG2 3.59Å; I157-V178 HydrophobicContact CD1-CG2 4.35Å; I157-V178 HydrophobicContact CG1-CG2 3.8Å; L160-V178 HydrophobicContact CD1-CB 4.43Å; L160-V178 HydrophobicContact CD1-CG2 3.61Å; L174-V178 WeakPolarHBondContact O-CG2 3.44Å; L174-V178 PolarHBondContact O-N 3.11Å; V175-V178 WeakPolarHBondContact O-CB 3.48Å; V175-V178 PolarHBondContact O-N 2.89Å; V175-V178 VanDerWaalsContact O-N 3.16Å; E176-V178 VanDerWaalsContact C-N 3.26Å; E176-V178 PolarHBondContact O-N 2.75Å; V178-Q180 PolarHBondContact O-N 3.23Å; V178-Q181 PolarHBondContact O-N 2.91Å; V178-L182 HydrophobicContact CG1-CD1 3.86Å; V178-L182 HydrophobicContact CG1-CG 4.12Å; V178-L182 WeakPolarHBondContact O-CG 3.38Å; V178-L182 PolarHBondContact O-N 3.41Å; V178-F190 HydrophobicContact CG1-CZ 4.33Å
179I95.8Very high95.2Very high0 Ų027.6 Ų27.60%015%0.149CC..Hα-helixtrans-67.6-18.4-173.164.2168.5000113.8V175 E176 Q181 F186 L188 T202 R204 I286 I299V175-I179 HydrophobicContact CG1-CG2 4.39Å; V175-I179 PolarHBondContact O-N 3.16Å; E176-I179 VanDerWaalsContact O-CG1 3.22Å; E176-I179 WeakPolarHBondContact O-CG1 3.29Å; E176-I179 PolarHBondContact O-N 2.85Å; I179-Q181 VanDerWaalsContact C-N 3.26Å; I179-F186 HydrophobicContact CB-CE2 4.23Å; I179-F186 HydrophobicContact CB-CZ 4.02Å; I179-F186 HydrophobicContact CG2-CE2 3.77Å; I179-F186 HydrophobicContact CG2-CZ 4.03Å; I179-L188 HydrophobicContact CG2-CD1 4.46Å; I179-T202 HydrophobicContact CG2-CG2 3.66Å; I179-R204 PolarHBondContact O-NH2 3.03Å; I179-I286 HydrophobicContact CD1-CD1 3.76Å; I179-I286 HydrophobicContact CD1-CG1 3.85Å; I179-I299 HydrophobicContact CD1-CD1 4.45Å
180Q95.1Very high95.5Very high98 Ų9826.9 Ų26.946%0.45814%0.144SC..THydrogen-bonded Turntrans-68.3-25.4170.3-74.2174.6-1.100112.8E176 V178 I299E176-Q180 WeakPolarHBondContact O-CG 3.46Å; E176-Q180 PolarHBondContact O-N 3.16Å; V178-Q180 PolarHBondContact O-N 3.23Å; Q180-I299 HydrophobicContact CG-CD1 3.63Å
181Q97Very high95.7Very high102 Ų10225 Ų2548%0.47713%0.132SC..THydrogen-bonded Turntrans-96.7-12.9178.8-55.2-58.7-5400112.8N129 L133 L156 V178 I179N129-Q181 PolarHBondContact ND2-O 3.04Å; L133-Q181 HydrophobicContact CD2-CB 4.33Å; L156-Q181 HydrophobicContact CD2-CB 3.84Å; L156-Q181 HydrophobicContact CD2-CG 4.36Å; V178-Q181 PolarHBondContact O-N 2.91Å; I179-Q181 VanDerWaalsContact C-N 3.26Å
182L96.8Very high95.8Very high3 Ų325.2 Ų25.22%0.01613%0.133CC..  trans-86.9131.1-179.8-60.3-175.3000110.8I127 L133 I153 L156 V178 F186 L188 R204I127-L182 HydrophobicContact CD1-CB 4.43Å; I127-L182 HydrophobicContact CD1-CD1 4.13Å; I127-L182 HydrophobicContact CD1-CD2 4.5Å; I127-L182 HydrophobicContact CG2-CD2 4.07Å; L133-L182 HydrophobicContact CD1-CD2 3.71Å; I153-L182 HydrophobicContact CD1-CD1 4.28Å; I153-L182 HydrophobicContact CG1-CD1 4.16Å; I153-L182 HydrophobicContact CG1-CD2 4.25Å; I153-L182 HydrophobicContact CG2-CD1 4.43Å; L156-L182 HydrophobicContact CD2-CD2 4.28Å; V178-L182 HydrophobicContact CG1-CD1 3.86Å; V178-L182 HydrophobicContact CG1-CG 4.12Å; V178-L182 WeakPolarHBondContact O-CG 3.38Å; V178-L182 PolarHBondContact O-N 3.41Å; L182-F186 HydrophobicContact CB-CD1 4.27Å; L182-F186 HydrophobicContact CB-CE1 3.7Å; L182-F186 HydrophobicContact CB-CZ 4.25Å; L182-F186 HydrophobicContact CD1-CD1 4.43Å; L182-F186 HydrophobicContact CD1-CE1 4.32Å; L182-L188 HydrophobicContact CD1-CD1 3.84Å; L182-R204 PolarHBondContact O-NH1 3.19Å
183E94.5Very high95.7Very high115 Ų11526 Ų2654%0.53713%0.134SC..  trans-109.5152.4168.2-65.6174.9-16600110.5I127 T128 N129I127-E183 CarbonylContact C-O 3.59Å; I127-E183 WeakPolarHBondContact CA-O 3.3Å; T128-E183 PolarHBondContact N-O 3.19Å; T128-E183 VanDerWaalsContact OG1-C 3.25Å; T128-E183 VanDerWaalsContact OG1-CB 3.32Å; T128-E183 WeakPolarHBondContact OG1-CB 3.36Å; T128-E183 PolarHBondContact OG1-O 3.37Å; N129-E183 HydrophobicContact CB-CB 4.02Å; N129-E183 HydrophobicContact CB-CG 4.26Å; N129-E183 PolarHBondContact OD1-N 3.17Å
184G91.2Very high95.7Very high32 Ų3227.3 Ų27.333%0.3314%0.138SC..EExtended strand (participates in β ladder)trans106.3-157.2-178.500000113T128T128-G184 PolarHBondContact OG1-N 3.26Å
185A90.6Very high95.6Very high30 Ų3028.6 Ų28.625%0.24814%0.143CC..EExtended strand (participates in β ladder)trans-114.4133.3179.600000109.2G125 I126 R204G125-A185 CarbonylContact C-O 2.85Å; G125-A185 WeakPolarHBondContact CA-O 3.39Å; I126-A185 PolarHBondContact N-O 3.12Å; I126-A185 PolarHBondContact O-N 3.11Å; A185-R204 CarbonylContact C-O 3.53Å; A185-R204 WeakPolarHBondContact CA-O 3.14Å
186F94.9Very high95.4Very high0 Ų032.5 Ų32.50%017%0.168CC..EExtended strand (participates in β ladder)trans-151.5145.8-178.251.1-98.9000112H123 N124 I127 I179 L182 L188 R203 R204H123-F186 WeakPolarHBondContact NE2-CB 3.27Å; N124-F186 CarbonylContact O-C 3.35Å; N124-F186 VanDerWaalsContact O-CA 3.23Å; N124-F186 WeakPolarHBondContact O-CA 3.49Å; I127-F186 HydrophobicContact CD1-CB 3.97Å; I127-F186 HydrophobicContact CD1-CD1 3.76Å; I127-F186 HydrophobicContact CD1-CG 4.2Å; I179-F186 HydrophobicContact CB-CE2 4.23Å; I179-F186 HydrophobicContact CB-CZ 4.02Å; I179-F186 HydrophobicContact CG2-CE2 3.77Å; I179-F186 HydrophobicContact CG2-CZ 4.03Å; L182-F186 HydrophobicContact CB-CD1 4.27Å; L182-F186 HydrophobicContact CB-CE1 3.7Å; L182-F186 HydrophobicContact CB-CZ 4.25Å; L182-F186 HydrophobicContact CD1-CD1 4.43Å; L182-F186 HydrophobicContact CD1-CE1 4.32Å; F186-L188 HydrophobicContact CB-CD1 4.38Å; F186-L188 HydrophobicContact CB-CD2 4.18Å; F186-L188 HydrophobicContact CB-CG 4.06Å; F186-L188 HydrophobicContact CD2-CD1 3.63Å; F186-L188 HydrophobicContact CD2-CG 3.82Å; F186-L188 HydrophobicContact CE2-CD1 4.16Å; F186-L188 HydrophobicContact CG-CD1 4.12Å; F186-L188 HydrophobicContact CG-CG 4.26Å; F186-R203 CarbonylContact O-C 3.58Å; F186-R203 WeakPolarHBondContact O-CA 3.44Å; F186-R204 HydrophobicContact CD1-CB 4.49Å; F186-R204 HydrophobicContact CD2-CB 4.31Å; F186-R204 HydrophobicContact CE1-CB 4.09Å; F186-R204 HydrophobicContact CE2-CB 3.88Å; F186-R204 HydrophobicContact CZ-CB 3.77Å; F186-R204 PolarHBondContact N-O 3.2Å; F186-R204 PolarHBondContact O-N 3.09Å; F186-R204 VanDerWaalsContact O-O 3.11Å
187A97.1Very high95Very high0 Ų032.3 Ų32.30%017%0.172CC..EExtended strand (participates in β ladder)trans-120.4127.6155.200000106.8I4 H123 N124 T202 R203 S206 L208I4-A187 HydrophobicContact CD1-CB 4.11Å; I4-A187 WeakPolarHBondContact CD1-O 3.37Å; H123-A187 WeakPolarHBondContact CA-O 3.43Å; N124-A187 HydrophobicContact CB-CB 4.37Å; N124-A187 PolarHBondContact N-O 3.19Å; N124-A187 PolarHBondContact O-N 3.31Å; A187-T202 WeakPolarHBondContact CA-O 3.49Å; A187-R203 HydrophobicContact CB-CB 4.3Å; A187-S206 WeakPolarHBondContact CB-OG 3.35Å; A187-L208 HydrophobicContact CB-CB 4.13Å; A187-L208 HydrophobicContact CB-CD2 4.31Å
188L98.4Very high94.9Very high0 Ų031 Ų310%017%0.168CC..EExtended strand (participates in β ladder)trans-128.1140.3-169.4-57.6174.5000110.5V121 I122 H123 I153 I179 L182 F186 F190 S201 T202V121-L188 HydrophobicContact CG2-CB 4.29Å; V121-L188 HydrophobicContact CG2-CD2 4.18Å; I122-L188 WeakPolarHBondContact O-CA 3.38Å; H123-L188 HydrophobicContact CB-CD2 3.58Å; H123-L188 WeakPolarHBondContact CD2-CD2 3.45Å; I153-L188 HydrophobicContact CD1-CD1 4.27Å; I153-L188 HydrophobicContact CD1-CD2 3.54Å; I153-L188 HydrophobicContact CG2-CD1 4.28Å; I179-L188 HydrophobicContact CG2-CD1 4.46Å; L182-L188 HydrophobicContact CD1-CD1 3.84Å; F186-L188 HydrophobicContact CB-CD1 4.38Å; F186-L188 HydrophobicContact CB-CD2 4.18Å; F186-L188 HydrophobicContact CB-CG 4.06Å; F186-L188 HydrophobicContact CD2-CD1 3.63Å; F186-L188 HydrophobicContact CD2-CG 3.82Å; F186-L188 HydrophobicContact CE2-CD1 4.16Å; F186-L188 HydrophobicContact CG-CD1 4.12Å; F186-L188 HydrophobicContact CG-CG 4.26Å; L188-F190 HydrophobicContact CB-CD2 4.22Å; L188-F190 HydrophobicContact CB-CE2 3.57Å; L188-F190 HydrophobicContact CB-CZ 4.22Å; L188-F190 HydrophobicContact CD1-CE2 3.91Å; L188-F190 HydrophobicContact CD1-CZ 3.89Å; L188-F190 HydrophobicContact CG-CE2 4.34Å; L188-S201 CarbonylContact O-C 3.43Å; L188-S201 WeakPolarHBondContact O-CA 3.3Å; L188-S201 WeakPolarHBondContact O-CB 3.21Å; L188-T202 HydrophobicContact CB-CG2 3.97Å; L188-T202 HydrophobicContact CD1-CG2 4.16Å; L188-T202 HydrophobicContact CG-CG2 4.46Å; L188-T202 PolarHBondContact N-O 2.93Å; L188-T202 PolarHBondContact O-N 2.96Å
189V98.6Very high94.8Very high0 Ų031 Ų310%017%0.168CC..EExtended strand (participates in β ladder)trans-132.3122.8168.3-1720000108.4I4 A6 F90 L92 V121 I122 L208 F264I4-V189 HydrophobicContact CG2-CG2 3.68Å; A6-V189 HydrophobicContact CB-CG1 4.08Å; F90-V189 HydrophobicContact CE1-CG1 4.11Å; F90-V189 HydrophobicContact CZ-CG1 3.56Å; L92-V189 HydrophobicContact CD2-CB 4.38Å; L92-V189 HydrophobicContact CD2-CG1 3.64Å; V121-V189 WeakPolarHBondContact CA-O 3.44Å; V121-V189 WeakPolarHBondContact CG2-O 3.46Å; I122-V189 HydrophobicContact CD1-CB 4Å; I122-V189 HydrophobicContact CD1-CG2 4.28Å; I122-V189 HydrophobicContact CG1-CB 3.7Å; I122-V189 HydrophobicContact CG1-CG2 4.24Å; I122-V189 PolarHBondContact N-O 3.31Å; I122-V189 VanDerWaalsContact N-O 3.09Å; I122-V189 PolarHBondContact O-N 3.01Å; I122-V189 VanDerWaalsContact O-N 3.14Å; V189-L208 HydrophobicContact CG2-CD1 4.29Å; V189-F264 HydrophobicContact CG2-CB 4.41Å
190F98.5Very high94.9Very high0 Ų031 Ų310%017%0.168CC..EExtended strand (participates in β ladder)trans-107.4142.2-173.8-66.8-96.9000111.6F90 V121 I153 I157 F171 V175 V178 L188 V200 T202F90-F190 WeakPolarHBondContact CE1-O 3.3Å; V121-F190 HydrophobicContact CB-CD1 3.98Å; V121-F190 HydrophobicContact CB-CE1 4.12Å; V121-F190 HydrophobicContact CG2-CD1 3.75Å; V121-F190 HydrophobicContact CG2-CD2 4.23Å; V121-F190 HydrophobicContact CG2-CE1 3.71Å; V121-F190 HydrophobicContact CG2-CE2 4.17Å; V121-F190 HydrophobicContact CG2-CG 4.02Å; V121-F190 HydrophobicContact CG2-CZ 3.93Å; I153-F190 HydrophobicContact CG2-CE1 3.61Å; I153-F190 HydrophobicContact CG2-CZ 3.58Å; I157-F190 HydrophobicContact CD1-CD1 3.79Å; I157-F190 HydrophobicContact CD1-CE1 3.93Å; F171-F190 HydrophobicContact CE1-CB 4.41Å; F171-F190 HydrophobicContact CE2-CB 4.04Å; F171-F190 HydrophobicContact CZ-CB 3.57Å; V175-F190 HydrophobicContact CB-CE2 4.46Å; V175-F190 HydrophobicContact CG1-CD2 4.04Å; V175-F190 HydrophobicContact CG1-CE2 3.66Å; V175-F190 HydrophobicContact CG1-CZ 4.32Å; V175-F190 HydrophobicContact CG2-CB 4.42Å; V175-F190 HydrophobicContact CG2-CD1 4.36Å; V175-F190 HydrophobicContact CG2-CD2 3.73Å; V175-F190 HydrophobicContact CG2-CE2 3.97Å; V175-F190 HydrophobicContact CG2-CG 3.94Å; V175-F190 HydrophobicContact CG2-CZ 4.37Å; V178-F190 HydrophobicContact CG1-CZ 4.33Å; L188-F190 HydrophobicContact CB-CD2 4.22Å; L188-F190 HydrophobicContact CB-CE2 3.57Å; L188-F190 HydrophobicContact CB-CZ 4.22Å; L188-F190 HydrophobicContact CD1-CE2 3.91Å; L188-F190 HydrophobicContact CD1-CZ 3.89Å; L188-F190 HydrophobicContact CG-CE2 4.34Å; F190-V200 PolarHBondContact N-O 3.42Å; F190-T202 HydrophobicContact CE2-CG2 4.31Å
191K97.6Very high95.1Very high8 Ų826.3 Ų26.34%0.03515%0.146CC..EExtended strand (participates in β ladder)trans-132.1143.6168.1174.7-178.9-179.9170.60109.5V42 D43 I58 F90 L92 V120V42-K191 VanDerWaalsContact C-NZ 3.29Å; D43-K191 WeakPolarHBondContact OD1-CE 3.43Å; D43-K191 IonicContact OD1-NZ 2.7Å; D43-K191 PolarHBondContact OD1-NZ 3.26Å; I58-K191 HydrophobicContact CD1-CD 4.22Å; I58-K191 HydrophobicContact CD1-CG 3.99Å; F90-K191 HydrophobicContact CD1-CB 4.11Å; F90-K191 HydrophobicContact CD1-CG 4.29Å; F90-K191 HydrophobicContact CE1-CB 4.32Å; F90-K191 WeakPolarHBondContact O-CD 3.46Å; F90-K191 VanDerWaalsContact O-CE 3.3Å; F90-K191 WeakPolarHBondContact O-CE 3.13Å; F90-K191 PolarHBondContact O-NZ 3.3Å; L92-K191 HydrophobicContact CD1-CB 3.72Å; L92-K191 HydrophobicContact CD2-CB 4.42Å; L92-K191 HydrophobicContact CG-CB 4.04Å; L92-K191 HydrophobicContact CG-CD 4.46Å; V120-K191 HydrophobicContact CG2-CB 3.72Å; V120-K191 HydrophobicContact CG2-CD 4.39Å; V120-K191 HydrophobicContact CG2-CG 4.23Å; V120-K191 PolarHBondContact N-O 3.45Å; V120-K191 PolarHBondContact O-N 2.86Å
192S96.8Very high95.1Very high4 Ų421.4 Ų21.43%0.02812%0.124CC..EExtended strand (participates in β ladder)trans-141.1149.6178-177.90000111.9E118 F119 H194E118-S192 VanDerWaalsContact O-CA 3.25Å; E118-S192 WeakPolarHBondContact O-CA 3.38Å; E118-S192 WeakPolarHBondContact O-CB 3.43Å; E118-S192 PolarHBondContact O-OG 3.08Å; F119-S192 WeakPolarHBondContact CD1-OG 3.43Å; F119-S192 VanDerWaalsContact CE1-OG 3.27Å; F119-S192 WeakPolarHBondContact CE1-OG 3.36Å; S192-H194 VanDerWaalsContact C-N 3.28Å; S192-H194 PolarHBondContact OG-N 3.09Å; S192-H194 VanDerWaalsContact OG-N 3.16Å
193R94.1Very high95Very high34 Ų3421.6 Ų21.613%0.12812%0.124CC..SBendtrans-70.6-25.2170.370.5173.264.7-176.7-14113.4N56 N116 E118 Y195N56-R193 HydrophobicContact CB-CB 4.2Å; N56-R193 PolarHBondContact ND2-O 3.15Å; N56-R193 WeakPolarHBondContact O-CB 3.3Å; N116-R193 PolarHBondContact O-NH2 3.38Å; E118-R193 HydrophobicContact CB-CG 4.43Å; E118-R193 PolarHBondContact O-N 3.2Å; E118-R193 VanDerWaalsContact O-N 3.1Å; R193-Y195 VanDerWaalsContact C-N 3.29Å
194H93.3Very high94.9Very high63 Ų6319 Ų1929%0.29211%0.109SC..SBendtrans-77.7-21.7-176.8-59.8-59.3000111.2E118 F119 Y161 S192 P196E118-H194 IonicContact OE2-CD2 2.84Å; E118-H194 IonicContact OE2-CE1 3.15Å; E118-H194 IonicContact OE2-NE2 3.72Å; E118-H194 PolarHBondContact OE2-NE2 3.18Å; F119-H194 AromaticContact CE2-CD2 3.57Å; F119-H194 AromaticContact CZ-CD2 3.67Å; Y161-H194 AromaticContact CE1-CD2 3.56Å; Y161-H194 AromaticContact CE1-CE1 3.73Å; Y161-H194 AromaticContact CE1-CG 3.95Å; Y161-H194 AromaticContact CE1-NE2 3.4Å; Y161-H194 WeakPolarHBondContact CE1-NE2 3.31Å; Y161-H194 HydrophobicContact CE2-CB 4.27Å; Y161-H194 AromaticContact CZ-CD2 3.65Å; Y161-H194 AromaticContact CZ-CE1 3.99Å; Y161-H194 AromaticContact CZ-CG 3.61Å; Y161-H194 AromaticContact CZ-ND1 3.85Å; Y161-H194 AromaticContact CZ-NE2 3.89Å; Y161-H194 PolarHBondContact OH-ND1 3.22Å; S192-H194 VanDerWaalsContact C-N 3.28Å; S192-H194 PolarHBondContact OG-N 3.09Å; S192-H194 VanDerWaalsContact OG-N 3.16Å; H194-P196 VanDerWaalsContact C-CD 3.45Å; H194-P196 WeakPolarHBondContact O-CD 3.46Å
195Y94.1Very high94.6Very high27 Ų2718.5 Ų18.511%0.10610%0.104CC..SBendtrans-123.266.1178.8-56.6-82.8000110F119 Y161 V169 F171 L174 R193 G197 E198F119-Y195 HydrophobicContact CE1-CD2 4.38Å; F119-Y195 HydrophobicContact CE1-CE2 4.22Å; F119-Y195 HydrophobicContact CZ-CE2 4.42Å; Y161-Y195 HydrophobicContact CD2-CE2 4.47Å; Y161-Y195 HydrophobicContact CE2-CE2 4.37Å; V169-Y195 WeakPolarHBondContact O-CE1 3.35Å; V169-Y195 PolarHBondContact O-OH 3.26Å; F171-Y195 HydrophobicContact CB-CD1 3.74Å; F171-Y195 HydrophobicContact CB-CD2 3.94Å; F171-Y195 HydrophobicContact CB-CE1 4.05Å; F171-Y195 HydrophobicContact CB-CE2 4.24Å; F171-Y195 HydrophobicContact CB-CG 3.68Å; F171-Y195 HydrophobicContact CD1-CD2 4.18Å; F171-Y195 HydrophobicContact CD1-CG 4Å; F171-Y195 AromaticContact CD2-CD2 3.85Å; F171-Y195 HydrophobicContact CD2-CD2 3.85Å; F171-Y195 HydrophobicContact CD2-CE2 4.14Å; F171-Y195 HydrophobicContact CD2-CG 4.38Å; F171-Y195 HydrophobicContact CE2-CD2 4.38Å; F171-Y195 HydrophobicContact CG-CD1 4.37Å; F171-Y195 AromaticContact CG-CD2 3.74Å; F171-Y195 HydrophobicContact CG-CD2 3.74Å; F171-Y195 HydrophobicContact CG-CE2 4.28Å; F171-Y195 AromaticContact CG-CG 3.79Å; F171-Y195 HydrophobicContact CG-CG 3.79Å; L174-Y195 HydrophobicContact CD1-CE2 3.75Å; L174-Y195 WeakPolarHBondContact CD1-OH 3.47Å; R193-Y195 VanDerWaalsContact C-N 3.29Å; Y195-G197 PolarHBondContact O-N 3.46Å; Y195-E198 PolarHBondContact O-N 3.29Å
196P90.9Very high94.5Very high81 Ų8117.4 Ų17.453%0.52610%0.095SC..THydrogen-bonded Turntrans-64.1133.3-17428.3-35.7000111.5H194 E198H194-P196 VanDerWaalsContact C-CD 3.45Å; H194-P196 WeakPolarHBondContact O-CD 3.46Å; P196-E198 PolarHBondContact O-N 3.43Å
197G86.5Confident94.3Very high18 Ų1818.2 Ų18.219%0.18610%0.1CC..THydrogen-bonded Turntrans72.43.4-17900000114.9Y195Y195-G197 PolarHBondContact O-N 3.46Å
198E94.7Very high94.2Very high35 Ų3518.3 Ų18.316%0.16410%0.1CC..  trans-92.3145.5170.8-59.8-169.3-174.500110.9F171 Y195 P196 V289 K290F171-E198 WeakPolarHBondContact CB-OE2 3.42Å; F171-E198 HydrophobicContact CD1-CB 4.07Å; Y195-E198 PolarHBondContact O-N 3.29Å; P196-E198 PolarHBondContact O-N 3.43Å; E198-V289 VanDerWaalsContact CA-O 3.3Å; E198-V289 WeakPolarHBondContact CA-O 3.41Å; E198-K290 HydrophobicContact CG-CB 4.45Å; E198-K290 HydrophobicContact CG-CG 4.32Å; E198-K290 WeakPolarHBondContact OE1-CD 3.42Å; E198-K290 WeakPolarHBondContact OE1-CE 3.19Å; E198-K290 WeakPolarHBondContact OE1-CG 3.36Å
199A95.2Very high94Very high0 Ų018.5 Ų18.50%010%0.101CC..EExtended strand (participates in β ladder)trans-123.4133.6172.200000109.6L8 F90 F264 A288 V289L8-A199 HydrophobicContact CD1-CB 3.72Å; F90-A199 HydrophobicContact CD1-CB 3.78Å; F90-A199 HydrophobicContact CD2-CB 4.14Å; F90-A199 HydrophobicContact CE1-CB 3.36Å; F90-A199 HydrophobicContact CE2-CB 3.76Å; F90-A199 HydrophobicContact CG-CB 4.15Å; F90-A199 HydrophobicContact CZ-CB 3.35Å; A199-F264 HydrophobicContact CB-CE2 4.01Å; A199-F264 HydrophobicContact CB-CZ 3.81Å; A199-A288 CarbonylContact O-C 3.54Å; A199-A288 WeakPolarHBondContact O-CA 3.34Å; A199-V289 HydrophobicContact CB-CB 4.22Å; A199-V289 PolarHBondContact N-O 2.83Å; A199-V289 VanDerWaalsContact N-O 3.14Å; A199-V289 PolarHBondContact O-N 2.87Å
200V97.9Very high93.9Very high0 Ų018.5 Ų18.50%010%0.101CC..EExtended strand (participates in β ladder)trans-127.1129170.1-176.30000109.3F171 V175 F190 I286 A287 A288F171-V200 HydrophobicContact CB-CG2 3.85Å; F171-V200 HydrophobicContact CD1-CB 4.25Å; F171-V200 HydrophobicContact CD1-CG2 3.43Å; F171-V200 VanDerWaalsContact CD1-CG2 3.43Å; F171-V200 HydrophobicContact CD2-CG2 4.24Å; F171-V200 HydrophobicContact CE1-CB 4.35Å; F171-V200 HydrophobicContact CE1-CG2 3.99Å; F171-V200 HydrophobicContact CG-CB 4.46Å; F171-V200 HydrophobicContact CG-CG2 3.56Å; V175-V200 HydrophobicContact CB-CG1 3.76Å; V175-V200 HydrophobicContact CG1-CG1 3.87Å; V175-V200 HydrophobicContact CG2-CB 4.03Å; V175-V200 HydrophobicContact CG2-CG1 3.6Å; F190-V200 PolarHBondContact N-O 3.42Å; V200-I286 HydrophobicContact CG1-CG2 3.76Å; V200-A287 CarbonylContact C-O 3.46Å; V200-A287 WeakPolarHBondContact CA-O 3.22Å; V200-A288 HydrophobicContact CG2-CB 4.22Å
201S97.8Very high93.8Very high0 Ų018.5 Ų18.50%010%0.101CC..EExtended strand (participates in β ladder)trans-133152.2177.172.50000111.4L188 F264 M281 A287L188-S201 CarbonylContact O-C 3.43Å; L188-S201 WeakPolarHBondContact O-CA 3.3Å; L188-S201 WeakPolarHBondContact O-CB 3.21Å; S201-F264 WeakPolarHBondContact OG-CD1 3.32Å; S201-F264 WeakPolarHBondContact OG-CE1 3.46Å; S201-M281 WeakPolarHBondContact O-CE 3.38Å; S201-A287 PolarHBondContact N-O 3.08Å; S201-A287 PolarHBondContact O-N 3.22Å
202T97.6Very high93.7Very high0 Ų018.2 Ų18.20%010%0.101CC..EExtended strand (participates in β ladder)trans-156.5158.7-178.4-176.90000110.8V175 I179 A187 L188 F190 L208 D285V175-T202 HydrophobicContact CG1-CG2 3.87Å; I179-T202 HydrophobicContact CG2-CG2 3.66Å; A187-T202 WeakPolarHBondContact CA-O 3.49Å; L188-T202 HydrophobicContact CB-CG2 3.97Å; L188-T202 HydrophobicContact CD1-CG2 4.16Å; L188-T202 HydrophobicContact CG-CG2 4.46Å; L188-T202 PolarHBondContact N-O 2.93Å; L188-T202 PolarHBondContact O-N 2.96Å; F190-T202 HydrophobicContact CE2-CG2 4.31Å; T202-L208 WeakPolarHBondContact O-CD2 3.39Å; T202-D285 WeakPolarHBondContact CA-O 3.15Å; T202-D285 VanDerWaalsContact CB-O 3.26Å; T202-D285 WeakPolarHBondContact CB-O 3.29Å; T202-D285 PolarHBondContact OG1-O 3.23Å
203R94.6Very high93.5Very high6 Ų621.9 Ų21.92%0.02311%0.114CC..EExtended strand (participates in β ladder)trans-142.6156.3176.162.9155.4-75.31609.1113.3F186 A187 S206 L208 M281 E282 D283 D284F186-R203 CarbonylContact O-C 3.58Å; F186-R203 WeakPolarHBondContact O-CA 3.44Å; A187-R203 HydrophobicContact CB-CB 4.3Å; R203-S206 WeakPolarHBondContact CB-O 3.49Å; R203-S206 WeakPolarHBondContact CD-O 3.48Å; R203-S206 PolarHBondContact NE-O 3.39Å; R203-S206 PolarHBondContact NH1-O 3.42Å; R203-L208 HydrophobicContact CB-CB 4.13Å; R203-L208 HydrophobicContact CG-CB 4.43Å; R203-M281 WeakPolarHBondContact CD-O 3.38Å; R203-M281 HydrophobicContact CG-CB 3.92Å; R203-E282 WeakPolarHBondContact CG-O 3.4Å; R203-D283 IonicContact CZ-OD1 2.84Å; R203-D283 IonicContact NE-OD1 3.51Å; R203-D283 PolarHBondContact NE-OD1 3.43Å; R203-D283 IonicContact NH2-OD1 2.71Å; R203-D283 PolarHBondContact NH2-OD1 3.48Å; R203-D283 CarbonylContact O-C 3.54Å; R203-D283 WeakPolarHBondContact O-CA 3.22Å; R203-D284 PolarHBondContact O-N 2.81Å
204R92Very high93.3Very high60 Ų6021.9 Ų21.923%0.22612%0.119CC..EExtended strand (participates in β ladder)trans-150.7116.3164.3-171.3-177.7-65.2153.14.3107.7I179 L182 A185 F186 S206 D283 D284I179-R204 PolarHBondContact O-NH2 3.03Å; L182-R204 PolarHBondContact O-NH1 3.19Å; A185-R204 CarbonylContact C-O 3.53Å; A185-R204 WeakPolarHBondContact CA-O 3.14Å; F186-R204 HydrophobicContact CD1-CB 4.49Å; F186-R204 HydrophobicContact CD2-CB 4.31Å; F186-R204 HydrophobicContact CE1-CB 4.09Å; F186-R204 HydrophobicContact CE2-CB 3.88Å; F186-R204 HydrophobicContact CZ-CB 3.77Å; F186-R204 PolarHBondContact N-O 3.2Å; F186-R204 PolarHBondContact O-N 3.09Å; F186-R204 VanDerWaalsContact O-O 3.11Å; R204-S206 PolarHBondContact O-N 3.37Å; R204-S206 VanDerWaalsContact O-N 3.1Å; R204-D283 WeakPolarHBondContact CA-OD1 3.5Å; R204-D284 IonicContact CZ-OD1 3.13Å; R204-D284 IonicContact NE-OD1 2.66Å; R204-D284 PolarHBondContact NE-OD1 3.45Å; R204-D284 IonicContact NH2-OD1 2.88Å; R204-D284 PolarHBondContact NH2-OD1 2.75Å
205G84.7Confident92.7Very high22 Ų2227.9 Ų27.923%0.22715%0.147CC..BIsolated β-bridgetrans66.57.5178.600000117.1D283G205-D283 VanDerWaalsContact N-CG 3.29Å; G205-D283 PolarHBondContact N-OD1 2.87Å; G205-D283 PolarHBondContact N-OD2 3.44Å
206S89Confident92.1Very high7 Ų730.8 Ų30.85%0.04916%0.162CC..SBendtrans-134.3136.6173.1175.20000111.3A187 R203 R204A187-S206 WeakPolarHBondContact CB-OG 3.35Å; R203-S206 WeakPolarHBondContact CB-O 3.49Å; R203-S206 WeakPolarHBondContact CD-O 3.48Å; R203-S206 PolarHBondContact NE-O 3.39Å; R203-S206 PolarHBondContact NH1-O 3.42Å; R204-S206 PolarHBondContact O-N 3.37Å; R204-S206 VanDerWaalsContact O-N 3.1Å
207P91Very high91.4Very high17 Ų1735.2 Ų35.211%0.1118%0.175CC..  trans-58136.8179.6-2635000114.4M1 E430M1-P207 HydrophobicContact CE-CG 4.31Å; P207-E430 HydrophobicContact CG-CG 3.85Å
208L94.7Very high90.9Very high2 Ų235.9 Ų35.91%0.0117%0.174CC..  trans-152.6133.4170.9-166.457.7000108.9I4 A187 V189 T202 R203 M281I4-L208 HydrophobicContact CG2-CD1 4.02Å; A187-L208 HydrophobicContact CB-CB 4.13Å; A187-L208 HydrophobicContact CB-CD2 4.31Å; V189-L208 HydrophobicContact CG2-CD1 4.29Å; T202-L208 WeakPolarHBondContact O-CD2 3.39Å; R203-L208 HydrophobicContact CB-CB 4.13Å; R203-L208 HydrophobicContact CG-CB 4.43Å; L208-M281 HydrophobicContact CB-SD 4.21Å; L208-M281 HydrophobicContact CD2-SD 3.73Å; L208-M281 HydrophobicContact CG-SD 3.82Å; L208-M281 WeakPolarHBondContact O-CB 3.38Å; L208-M281 PolarHBondContact O-N 3.08Å; L208-M281 VanDerWaalsContact O-N 3.08Å
209L94.9Very high89.7Confident4 Ų437.1 Ų37.12%0.02119%0.185CC..EExtended strand (participates in β ladder)trans-139.6159177.560143.4000111F264 A265 A268 I271 V278 L279 Y280L209-F264 WeakPolarHBondContact O-CA 3.2Å; L209-A265 VanDerWaalsContact CD2-O 3.29Å; L209-A265 WeakPolarHBondContact CD2-O 3.46Å; L209-A265 WeakPolarHBondContact CG-O 3.44Å; L209-A265 PolarHBondContact N-O 2.99Å; L209-A265 PolarHBondContact O-N 2.98Å; L209-A268 HydrophobicContact CD1-CB 4.12Å; L209-I271 HydrophobicContact CD1-CD1 3.49Å; L209-I271 VanDerWaalsContact CD1-CD1 3.49Å; L209-I271 HydrophobicContact CG-CD1 3.76Å; L209-V278 HydrophobicContact CD1-CB 4Å; L209-V278 HydrophobicContact CD1-CG1 4.02Å; L209-V278 HydrophobicContact CD1-CG2 4.33Å; L209-L279 CarbonylContact C-O 3.56Å; L209-L279 VanDerWaalsContact CA-O 3.22Å; L209-L279 WeakPolarHBondContact CA-O 3.18Å; L209-L279 WeakPolarHBondContact CB-O 3.38Å; L209-Y280 HydrophobicContact CB-CD1 4.09Å; L209-Y280 HydrophobicContact CB-CE1 4.4Å; L209-Y280 HydrophobicContact CD1-CE1 4.39Å; L209-Y280 HydrophobicContact CD2-CE1 4.28Å
210I97.2Very high88.9Confident0 Ų039.3 Ų39.30%020%0.199CC..EExtended strand (participates in β ladder)trans-123.5113.7-176.8-51.6176.6000108.7Y262 Y263 F264 V278 L279 M281 A287 L294I210-Y262 HydrophobicContact CG2-CD1 4.11Å; I210-Y263 CarbonylContact C-O 3.39Å; I210-Y263 WeakPolarHBondContact CA-O 3.35Å; I210-F264 HydrophobicContact CD1-CD1 3.97Å; I210-F264 HydrophobicContact CD1-CE1 3.65Å; I210-F264 HydrophobicContact CG1-CD1 3.72Å; I210-F264 HydrophobicContact CG1-CE1 3.89Å; I210-F264 HydrophobicContact CG2-CD1 4.4Å; I210-F264 HydrophobicContact CG2-CE1 4.23Å; I210-F264 HydrophobicContact CG2-CZ 4.47Å; I210-V278 CarbonylContact O-C 3.51Å; I210-V278 WeakPolarHBondContact O-CA 3.24Å; I210-L279 PolarHBondContact N-O 2.99Å; I210-L279 PolarHBondContact O-N 3.23Å; I210-M281 HydrophobicContact CD1-CG 4.43Å; I210-M281 HydrophobicContact CD1-SD 4.04Å; I210-M281 HydrophobicContact CG1-CG 4.48Å; I210-M281 HydrophobicContact CG1-SD 4.24Å; I210-A287 HydrophobicContact CD1-CB 3.46Å; I210-A287 VanDerWaalsContact CD1-CB 3.46Å; I210-L294 HydrophobicContact CD1-CD1 3.98Å; I210-L294 HydrophobicContact CD1-CD2 4.29Å; I210-L294 HydrophobicContact CG2-CD2 4.2Å
211G96.1Very high88.2Confident0 Ų044.1 Ų44.10%022%0.221CC..EExtended strand (participates in β ladder)trans-81.7140.8167.500000111Y262 Y263 K277G211-Y262 WeakPolarHBondContact O-CA 3.31Å; G211-Y263 PolarHBondContact N-O 3.06Å; G211-Y263 PolarHBondContact O-N 2.67Å; G211-K277 WeakPolarHBondContact CA-O 3.39Å
212V94.6Very high87.6Confident3 Ų349.8 Ų49.82%0.01825%0.248CC..EExtended strand (participates in β ladder)trans-123.5133.2177.3-172.10000110L218 V260 Y262 T275 K277V212-L218 HydrophobicContact CG1-CD1 4.23Å; V212-L218 HydrophobicContact CG1-CD2 3.78Å; V212-V260 HydrophobicContact CG1-CG2 4.04Å; V212-Y262 HydrophobicContact CG1-CD1 4.3Å; V212-Y262 HydrophobicContact CG1-CE1 3.96Å; V212-Y262 HydrophobicContact CG2-CD1 3.84Å; V212-Y262 HydrophobicContact CG2-CE1 3.86Å; V212-T275 WeakPolarHBondContact O-CB 3.2Å; V212-T275 WeakPolarHBondContact O-CG2 3.18Å; V212-T275 PolarHBondContact O-OG1 3.08Å; V212-K277 PolarHBondContact N-O 3.14Å; V212-K277 VanDerWaalsContact N-O 3.09Å
213R93.8Very high87.1Confident81 Ų8149.9 Ų49.931%0.30625%0.248SC..EExtended strand (participates in β ladder)trans-132129.3170.9-174.3172.174.4-177.64.5109.9E261 Y263 H274R213-E261 HydrophobicContact CB-CB 4.37Å; R213-E261 IonicContact CZ-OE1 3.2Å; R213-E261 IonicContact CZ-OE2 2.67Å; R213-E261 PolarHBondContact N-O 2.93Å; R213-E261 IonicContact NE-OE2 2.98Å; R213-E261 PolarHBondContact NE-OE2 3.14Å; R213-E261 IonicContact NH2-OE1 2.75Å; R213-E261 PolarHBondContact NH2-OE1 2.85Å; R213-E261 IonicContact NH2-OE2 3.71Å; R213-E261 PolarHBondContact NH2-OE2 3.41Å; R213-E261 PolarHBondContact O-N 3.26Å; R213-Y263 HydrophobicContact CB-CE2 4.07Å; R213-Y263 VanDerWaalsContact CZ-OH 3.3Å; R213-Y263 PolarHBondContact NH2-OH 3.11Å; R213-Y263 VanDerWaalsContact NH2-OH 3.16Å; R213-H274 WeakPolarHBondContact CD-O 3.37Å
214S88.9Confident86.8Confident34 Ų3451.7 Ų51.724%0.23826%0.261CS..  trans-145.2148.9170.5-1750000108.7H216 A259S214-H216 PolarHBondContact OG-N 3.19Å; S214-A259 PolarHBondContact OG-O 2.93Å
215E81.4Confident86.6Confident188 Ų18849.4 Ų49.488%0.87925%0.253SS*.SBendtrans-72.2-17169.2-64.4-171167.200111.8
216H81.2Confident86.8Confident89 Ų8951 Ų5141%0.41226%0.255SS..SBendtrans-99.9154.8179.6-55.4-65.9000111.5S214 L218S214-H216 PolarHBondContact OG-N 3.19Å; H216-L218 PolarHBondContact O-N 3.32Å
217E75.4Confident86.5Confident174 Ų17453.9 Ų53.981%0.81327%0.265SS*.PPolyproline II helixtrans-60.1132.1171.5-72.7-175.2167.100110.6R258E217-R258 PolarHBondContact O-NH1 2.87Å
218L77Confident85.5Confident31 Ų3156.2 Ų56.216%0.16228%0.277CS..PPolyproline II helixtrans-69.3135173.9-62.4174.5000108.6V212 H216 T220 I251 K277 I311V212-L218 HydrophobicContact CG1-CD1 4.23Å; V212-L218 HydrophobicContact CG1-CD2 3.78Å; H216-L218 PolarHBondContact O-N 3.32Å; L218-T220 VanDerWaalsContact C-N 3.25Å; L218-T220 PolarHBondContact O-N 3.35Å; L218-I251 HydrophobicContact CD2-CG2 3.91Å; L218-K277 HydrophobicContact CD1-CD 4.17Å; L218-I311 HydrophobicContact CD1-CD1 3.91Å
219P69.3Low83.3Confident61 Ų6161.9 Ų61.940%0.39632%0.316SS..SBendtrans-67.7-24.3-17626-34.9000113.6I251P219-I251 HydrophobicContact CG-CG2 4.33Å
220T78.6Confident80.6Confident46 Ų4664.7 Ų64.728%0.28235%0.347SS..  trans-150.1146.9174.1-175.50000110.7L218 Q222 I251L218-T220 VanDerWaalsContact C-N 3.25Å; L218-T220 PolarHBondContact O-N 3.35Å; T220-Q222 WeakPolarHBondContact CG2-O 3.19Å; T220-Q222 PolarHBondContact OG1-N 2.89Å; T220-Q222 PolarHBondContact OG1-O 2.93Å; T220-I251 HydrophobicContact CG2-CG1 4.26Å
221E81.6Confident77.7Confident102 Ų10274 Ų7448%0.47739%0.39SS..SBendtrans-97.54168.1-59.9-165145.300111.9K277 A310 I311E221-K277 IonicContact OE1-NZ 2.88Å; E221-K277 PolarHBondContact OE1-NZ 2.87Å; E221-A310 CarbonylContact O-C 3.55Å; E221-A310 WeakPolarHBondContact O-CA 3.26Å; E221-I311 HydrophobicContact CB-CB 4.47Å; E221-I311 PolarHBondContact O-N 3.16Å
222Q85.9Confident74.5Confident119 Ų11981.4 Ų81.456%0.55643%0.428SS*.EExtended strand (participates in β ladder)trans-132110.1-178.8-81.1-169.82.400109.4T220 V308T220-Q222 WeakPolarHBondContact CG2-O 3.19Å; T220-Q222 PolarHBondContact OG1-N 2.89Å; T220-Q222 PolarHBondContact OG1-O 2.93Å; Q222-V308 HydrophobicContact CB-CG1 3.44Å; Q222-V308 VanDerWaalsContact CB-CG1 3.44Å; Q222-V308 HydrophobicContact CG-CG1 3.7Å
223I86.8Confident71.3Confident1 Ų190.3 Ų90.31%0.00547%0.466CS..EExtended strand (participates in β ladder)trans-93.4118.9179.2-47.5-176000109.2I251 L279 L294 I296 V308 R309I223-I251 HydrophobicContact CD1-CD1 3.28Å; I223-I251 HydrophobicContact CD1-CG1 3.8Å; I223-I251 HydrophobicContact CG1-CD1 3.7Å; I223-I251 HydrophobicContact CG1-CG1 3.92Å; I223-L279 HydrophobicContact CB-CD1 4.45Å; I223-L279 HydrophobicContact CD1-CD1 3.25Å; I223-L279 HydrophobicContact CG1-CD1 3.91Å; I223-L294 HydrophobicContact CD1-CD2 3.73Å; I223-L294 HydrophobicContact CD1-CG 4.02Å; I223-I296 HydrophobicContact CB-CG1 4.44Å; I223-I296 HydrophobicContact CD1-CG1 4.47Å; I223-I296 HydrophobicContact CG2-CG1 4Å; I223-V308 CarbonylContact O-C 3.58Å; I223-V308 WeakPolarHBondContact O-CA 3.27Å; I223-R309 PolarHBondContact N-O 2.83Å; I223-R309 PolarHBondContact O-N 2.76Å
224P88.4Confident68.4Low44 Ų4495.3 Ų95.329%0.28649%0.493SS..EExtended strand (participates in β ladder)trans-68.9138.4174.829-33.6000111N249P224-N249 HydrophobicContact CG-CB 4.08Å
225V88.4Confident65.6Low12 Ų12101.1 Ų101.17%0.07352%0.522CS..EExtended strand (participates in β ladder)trans-77.6123.6173.3-179.70000109.3Y227 I296 R298 P307 R309V225-Y227 HydrophobicContact CB-CE2 4.33Å; V225-Y227 HydrophobicContact CG1-CE1 4.21Å; V225-Y227 HydrophobicContact CG1-CE2 4.15Å; V225-Y227 WeakPolarHBondContact O-CE2 3.31Å; V225-I296 HydrophobicContact CG2-CG2 4.22Å; V225-R298 HydrophobicContact CG1-CB 3.85Å; V225-R298 HydrophobicContact CG1-CG 3.74Å; V225-P307 PolarHBondContact N-O 2.86Å; V225-R309 HydrophobicContact CG2-CG 4.27Å
226Q88.3Confident63.1Low57 Ų5798.6 Ų98.627%0.26652%0.519SS..EExtended strand (participates in β ladder)trans-89.8138.8177.1-58.3-175.72.300110I296 H297 R298Q226-I296 PolarHBondContact N-O 3.49Å; Q226-H297 CarbonylContact O-C 3.42Å; Q226-H297 VanDerWaalsContact O-CA 3.31Å; Q226-H297 WeakPolarHBondContact O-CA 3.25Å; Q226-H297 PolarHBondContact OE1-CE1 3.49Å; Q226-R298 PolarHBondContact O-N 3.36Å
227Y83.6Confident60.8Low66 Ų66103.4 Ų103.426%0.25954%0.541SS..EExtended strand (participates in β ladder)trans-115125.1179.7-62.7-85.3000110.4V225 S229 R298 R301V225-Y227 HydrophobicContact CB-CE2 4.33Å; V225-Y227 HydrophobicContact CG1-CE1 4.21Å; V225-Y227 HydrophobicContact CG1-CE2 4.15Å; V225-Y227 WeakPolarHBondContact O-CE2 3.31Å; Y227-S229 PolarHBondContact O-N 3.08Å; Y227-R298 WeakPolarHBondContact CA-O 3.46Å; Y227-R298 HydrophobicContact CD1-CB 3.96Å; Y227-R298 HydrophobicContact CE1-CB 3.83Å; Y227-R301 HydrophobicContact CD1-CB 4Å; Y227-R301 HydrophobicContact CE1-CB 3.55Å; Y227-R301 HydrophobicContact CE1-CG 4.05Å
228N69.1Low58.5Low67 Ų67104.1 Ų104.136%0.35855%0.545SS..  trans-74.9108.9172.7-83.8-16.5000109.1E176 G230 R298E176-N228 PolarHBondContact OE2-ND2 2.98Å; N228-G230 PolarHBondContact O-N 3.16Å; N228-R298 PolarHBondContact N-O 2.7Å
229S48.3Very low56.3Low120 Ų120112.1 Ų112.184%0.83958%0.578SS**  trans-72.994.3176.7-38.40000109.1Y227 H231Y227-S229 PolarHBondContact O-N 3.08Å; S229-H231 PolarHBondContact O-N 3.26Å
230G38.6Very low54.2Low64 Ų64117 Ų11766%0.6660%0.601SS**  trans-59.8131.8168.700000111N228 I232N228-G230 PolarHBondContact O-N 3.16Å; G230-I232 PolarHBondContact O-N 3.49Å
231H35.9Very low51.9Low196 Ų196119.5 Ų119.591%0.90762%0.62SS**  trans-25.1119.1179.6-71.6-81.1000117.1S229S229-H231 PolarHBondContact O-N 3.26Å
232I29.3Very low49.4Very low155 Ų155121.9 Ų121.980%0.79563%0.631SS**  trans-121.8106153.4-61179.8000108.4G230G230-I232 PolarHBondContact O-N 3.49Å
233K28.6Very low46.8Very low190 Ų190124.6 Ų124.683%0.82665%0.65SS**  trans73.6113.4161.7-65.6-178.3178.2-177.20119.3
234E31.5Very low44.2Very low186 Ų186133.9 Ų133.987%0.86968%0.684SS**  trans-56.4156.1146.9-72.2178.3150.800110.7
235D29.6Very low41.8Very low156 Ų156138.6 Ų138.683%0.83471%0.713SS**  trans8183.5-176.7-64.9-18.7000117.3
236V28.9Very low39.3Very low135 Ų135143.4 Ų143.482%0.81874%0.738SS**  -169.9120108.8165.20000107.6E238V236-E238 PolarHBondContact O-N 2.81Å
237Q33.9Very low37Very low190 Ų190144 Ų14489%0.88875%0.748SS**  trans-58117164.6-82.8175.4-21.200109.3
238E26.5Very low35Very low189 Ų189145.1 Ų145.188%0.88377%0.766SS**  trans-155.9138.7141.2-116.8172.2-167.400112V236 N240V236-E238 PolarHBondContact O-N 2.81Å; E238-N240 PolarHBondContact O-N 3.34Å
239K31.8Very low34.1Very low198 Ų198145.3 Ų145.386%0.86177%0.767SS**  trans-55.9120.7-171.7-67.4159173.2172.10111.6
240N25.1Very low34.4Very low163 Ų163140 Ų14087%0.87273%0.731SS**  trans-161.592.2141.1-93.6-21.7000109.5E238 H242E238-N240 PolarHBondContact O-N 3.34Å; N240-H242 PolarHBondContact O-N 2.93Å
241S30.1Very low34.9Very low99 Ų99137 Ų13769%0.69270%0.699SS**  trans-67.7119.8162.850.70000109.2
242H29Very low35.7Very low152 Ų152128.4 Ų128.470%0.70466%0.66SS**  trans148.970.7147.2-74-43.3000111.4N240 R244N240-H242 PolarHBondContact O-N 2.93Å; H242-R244 VanDerWaalsContact C-N 3.31Å; H242-R244 PolarHBondContact O-N 3.42Å
243N30.6Very low36.3Very low177 Ų177122.5 Ų122.595%0.94763%0.633SS**  trans-86.684.7151.7-82.8-3.1000107.2
244R33.8Very low36.9Very low195 Ų195118 Ų11874%0.73662%0.617SS**  trans-68.9144.5160.8-82.5178.8169.1178-5.1107.3H242 D246H242-R244 VanDerWaalsContact C-N 3.31Å; H242-R244 PolarHBondContact O-N 3.42Å; R244-D246 PolarHBondContact O-N 3.46Å
245T36.4Very low37.5Very low143 Ų143119 Ų11988%0.87762%0.622SS**  trans-56.594.9154.237.70000106.8S247T245-S247 PolarHBondContact O-N 3.26Å
246D35.7Very low38.4Very low114 Ų114118.1 Ų118.161%0.6162%0.618SS**  trans-61.3124.5177.8-82.6-24.1000108.5R244 S248R244-D246 PolarHBondContact O-N 3.46Å; D246-S248 PolarHBondContact O-N 3.06Å
247S40Very low39.7Very low69 Ų69113.2 Ų113.248%0.48360%0.595SS.*G310 helixtrans-58.9-19.6-17649.40000112.6T245 N249 S253T245-S247 PolarHBondContact O-N 3.26Å; S247-N249 PolarHBondContact O-N 3.12Å; S247-S253 VanDerWaalsContact C-CB 3.44Å; S247-S253 WeakPolarHBondContact CB-O 3.43Å; S247-S253 WeakPolarHBondContact O-CA 3.43Å; S247-S253 WeakPolarHBondContact O-CB 3.35Å
248S41.8Very low41.6Very low90 Ų90108.2 Ų108.263%0.62957%0.567SS**G310 helixtrans-67-6.9-174.666.30000116.7D246D246-S248 PolarHBondContact O-N 3.06Å
249N51Low44.6Very low70 Ų70100.5 Ų100.537%0.37454%0.536SS..G310 helixtrans-114.77.8-166.7-64.5-20.9000115.2P224 S247P224-N249 HydrophobicContact CG-CB 4.08Å; S247-N249 PolarHBondContact O-N 3.12Å
250A54.1Low47.6Very low10 Ų1091 Ų918%0.08350%0.495CS..SBendtrans-126.3159.5-179.800000112.2N252 E293A250-N252 VanDerWaalsContact C-N 3.25Å; A250-N252 PolarHBondContact O-N 3.3Å; A250-E293 HydrophobicContact CB-CB 3.95Å; A250-E293 HydrophobicContact CB-CG 4.4Å; A250-E293 WeakPolarHBondContact CB-OE2 3.47Å
251I49.9Very low50.9Low0 Ų083.9 Ų83.90%046%0.456CS..BIsolated β-bridgetrans-73.982173.3-59.5-176.7000108.8L218 P219 T220 I223 E293 L294 I311L218-I251 HydrophobicContact CD2-CG2 3.91Å; P219-I251 HydrophobicContact CG-CG2 4.33Å; T220-I251 HydrophobicContact CG2-CG1 4.26Å; I223-I251 HydrophobicContact CD1-CD1 3.28Å; I223-I251 HydrophobicContact CD1-CG1 3.8Å; I223-I251 HydrophobicContact CG1-CD1 3.7Å; I223-I251 HydrophobicContact CG1-CG1 3.92Å; I251-E293 WeakPolarHBondContact O-CA 3.28Å; I251-L294 HydrophobicContact CB-CB 4.33Å; I251-L294 HydrophobicContact CD1-CB 4.43Å; I251-L294 HydrophobicContact CD1-CD2 4.25Å; I251-L294 PolarHBondContact N-O 3.2Å; I251-I311 HydrophobicContact CD1-CD1 3.75Å
252N51.8Low54.1Low15 Ų1579.1 Ų79.18%0.0842%0.423CS..THydrogen-bonded Turntrans135.757162.5-77.3-30.3000114A250 N254 E293A250-N252 VanDerWaalsContact C-N 3.25Å; A250-N252 PolarHBondContact O-N 3.3Å; N252-N254 PolarHBondContact O-N 2.86Å; N252-E293 HydrophobicContact CB-CG 4.02Å
253S43.2Very low57.4Low32 Ų3272 Ų7222%0.22439%0.39CS..  trans-62.62.6-179.969.70000118.4S247S247-S253 VanDerWaalsContact C-CB 3.44Å; S247-S253 WeakPolarHBondContact CB-O 3.43Å; S247-S253 WeakPolarHBondContact O-CA 3.43Å; S247-S253 WeakPolarHBondContact O-CB 3.35Å
254N41.3Very low60.7Low94 Ų9463.6 Ų63.650%0.50335%0.345SS..SBendtrans-104.9133.9-171-74.7-12.1000110.7N252 D256N252-N254 PolarHBondContact O-N 2.86Å; N254-D256 CarbonylContact O-C 3.43Å; N254-D256 PolarHBondContact O-N 3.45Å
255E43Very low63.7Low207 Ų20754.3 Ų54.397%0.96731%0.31SS*.SBendtrans-57.7-1.4-173.4-69.7-177.8146.600116.4
256D48.2Very low66.4Low139 Ų13947.5 Ų47.574%0.74327%0.268SS*.SBendtrans-108.197.7165.7-87-28.2000109N254 R258N254-D256 CarbonylContact O-C 3.43Å; N254-D256 PolarHBondContact O-N 3.45Å; D256-R258 WeakPolarHBondContact O-CG 3.49Å; D256-R258 PolarHBondContact O-N 3.16Å
257G56.6Low69.1Low32 Ų3243.3 Ų43.333%0.3325%0.246SC..  trans-51.7112.3178.700000111.2Q11Q11-G257 VanDerWaalsContact CD-O 3.3Å; Q11-G257 PolarHBondContact NE2-O 3.34Å; Q11-G257 PolarHBondContact OE1-O 3.06Å
258R74.5Confident71.5Confident84 Ų8440.5 Ų40.532%0.31723%0.227SC..  trans-83.3145.8-175.6-66.9-178.4-178.3175.4-1.4111.2E217 D256 V260E217-R258 PolarHBondContact O-NH1 2.87Å; D256-R258 WeakPolarHBondContact O-CG 3.49Å; D256-R258 PolarHBondContact O-N 3.16Å; R258-V260 PolarHBondContact O-N 3.27Å
259A89.3Confident73.8Confident27 Ų2736.3 Ų36.322%0.22320%0.197CC..  trans-58.1121.9172.300000110.9Y10 V12 S214Y10-A259 WeakPolarHBondContact O-CA 3.36Å; V12-A259 HydrophobicContact CG2-CB 3.78Å; S214-A259 PolarHBondContact OG-O 2.93Å
260V93.3Very high75.8Confident0 Ų033 Ų330%018%0.18CC..EExtended strand (participates in β ladder)trans-149.2146.3-17763.40000111.1Y10 V212 R258 Y262Y10-V260 HydrophobicContact CD1-CG1 4.22Å; Y10-V260 HydrophobicContact CG-CG1 4.47Å; Y10-V260 PolarHBondContact N-O 3.38Å; Y10-V260 PolarHBondContact O-N 2.92Å; Y10-V260 VanDerWaalsContact O-N 3.08Å; V212-V260 HydrophobicContact CG1-CG2 4.04Å; R258-V260 PolarHBondContact O-N 3.27Å; V260-Y262 HydrophobicContact CB-CE2 4.28Å; V260-Y262 HydrophobicContact CG1-CD2 4.31Å; V260-Y262 HydrophobicContact CG1-CE2 3.53Å; V260-Y262 HydrophobicContact CG2-CD2 4.25Å; V260-Y262 HydrophobicContact CG2-CE1 4.31Å; V260-Y262 HydrophobicContact CG2-CE2 3.71Å
261E96.2Very high77.7Confident12 Ų1232.5 Ų32.56%0.05618%0.176CC..EExtended strand (participates in β ladder)trans-121.4132.5175.8-69.9166.3118.100109.9Y7 L8 N9 V12 R14 R213 Y263Y7-E261 HydrophobicContact CE2-CB 4.07Å; Y7-E261 HydrophobicContact CE2-CG 4Å; Y7-E261 PolarHBondContact OH-OE1 3.16Å; L8-E261 CarbonylContact O-C 3.59Å; L8-E261 VanDerWaalsContact O-CA 3.28Å; L8-E261 WeakPolarHBondContact O-CA 3.49Å; N9-E261 HydrophobicContact CB-CG 4.44Å; V12-E261 HydrophobicContact CB-CG 4.26Å; V12-E261 HydrophobicContact CG1-CG 4.29Å; V12-E261 HydrophobicContact CG2-CG 4.08Å; R14-E261 IonicContact CZ-OE1 3.09Å; R14-E261 IonicContact NE-OE1 3.89Å; R14-E261 IonicContact NH2-OE1 3.87Å; R14-E261 PolarHBondContact NH2-OE1 2.8Å; R213-E261 HydrophobicContact CB-CB 4.37Å; R213-E261 IonicContact CZ-OE1 3.2Å; R213-E261 IonicContact CZ-OE2 2.67Å; R213-E261 PolarHBondContact N-O 2.93Å; R213-E261 IonicContact NE-OE2 2.98Å; R213-E261 PolarHBondContact NE-OE2 3.14Å; R213-E261 IonicContact NH2-OE1 2.75Å; R213-E261 PolarHBondContact NH2-OE1 2.85Å; R213-E261 IonicContact NH2-OE2 3.71Å; R213-E261 PolarHBondContact NH2-OE2 3.41Å; R213-E261 PolarHBondContact O-N 3.26Å; E261-Y263 HydrophobicContact CB-CE2 3.86Å
262Y97.5Very high79.7Confident0 Ų033.4 Ų33.40%018%0.181CC..EExtended strand (participates in β ladder)trans-116.8138.5175.7-61.8-86.1000110.7L8 I210 G211 V212 V260 V289 G292 L294L8-Y262 HydrophobicContact CD2-CD2 3.95Å; L8-Y262 PolarHBondContact N-O 3.2Å; L8-Y262 PolarHBondContact O-N 2.78Å; I210-Y262 HydrophobicContact CG2-CD1 4.11Å; G211-Y262 WeakPolarHBondContact O-CA 3.31Å; V212-Y262 HydrophobicContact CG1-CD1 4.3Å; V212-Y262 HydrophobicContact CG1-CE1 3.96Å; V212-Y262 HydrophobicContact CG2-CD1 3.84Å; V212-Y262 HydrophobicContact CG2-CE1 3.86Å; V260-Y262 HydrophobicContact CB-CE2 4.28Å; V260-Y262 HydrophobicContact CG1-CD2 4.31Å; V260-Y262 HydrophobicContact CG1-CE2 3.53Å; V260-Y262 HydrophobicContact CG2-CD2 4.25Å; V260-Y262 HydrophobicContact CG2-CE1 4.31Å; V260-Y262 HydrophobicContact CG2-CE2 3.71Å; Y262-V289 HydrophobicContact CD1-CG2 4.45Å; Y262-V289 HydrophobicContact CD2-CG1 3.98Å; Y262-V289 HydrophobicContact CD2-CG2 4.23Å; Y262-V289 HydrophobicContact CE2-CG1 3.77Å; Y262-V289 HydrophobicContact CE2-CG2 4.35Å; Y262-V289 HydrophobicContact CG-CG2 4.26Å; Y262-G292 WeakPolarHBondContact CE2-O 3.5Å; Y262-G292 PolarHBondContact OH-O 2.89Å; Y262-L294 HydrophobicContact CD1-CD2 4.44Å; Y262-L294 HydrophobicContact CE1-CB 3.73Å; Y262-L294 HydrophobicContact CE1-CD2 4.1Å; Y262-L294 HydrophobicContact CE1-CG 4.47Å; Y262-L294 PolarHBondContact OH-N 2.99Å
263Y98.1Very high81.5Confident2 Ų234.4 Ų34.41%0.00819%0.185CC..EExtended strand (participates in β ladder)trans-124.9108.8-178.9-57.5-89.2000109.2F5 A6 Y7 T22 I210 G211 R213 E261 I271 H274 T275F5-Y263 HydrophobicContact CE2-CD1 4.36Å; F5-Y263 HydrophobicContact CZ-CD1 4.02Å; A6-Y263 CarbonylContact O-C 3.34Å; A6-Y263 WeakPolarHBondContact O-CA 3.48Å; Y7-Y263 AromaticContact CD2-CD1 3.75Å; Y7-Y263 HydrophobicContact CD2-CD1 3.75Å; Y7-Y263 AromaticContact CD2-CE1 3.34Å; Y7-Y263 HydrophobicContact CD2-CE1 3.34Å; Y7-Y263 AromaticContact CD2-CZ 3.91Å; Y7-Y263 HydrophobicContact CE2-CD1 4.38Å; Y7-Y263 AromaticContact CE2-CE1 3.55Å; Y7-Y263 HydrophobicContact CE2-CE1 3.55Å; Y7-Y263 AromaticContact CE2-CZ 3.69Å; Y7-Y263 HydrophobicContact CG-CE1 4.33Å; T22-Y263 HydrophobicContact CG2-CE1 4.34Å; I210-Y263 CarbonylContact C-O 3.39Å; I210-Y263 WeakPolarHBondContact CA-O 3.35Å; G211-Y263 PolarHBondContact N-O 3.06Å; G211-Y263 PolarHBondContact O-N 2.67Å; R213-Y263 HydrophobicContact CB-CE2 4.07Å; R213-Y263 VanDerWaalsContact CZ-OH 3.3Å; R213-Y263 PolarHBondContact NH2-OH 3.11Å; R213-Y263 VanDerWaalsContact NH2-OH 3.16Å; E261-Y263 HydrophobicContact CB-CE2 3.86Å; Y263-I271 WeakPolarHBondContact O-CD1 3.34Å; Y263-H274 HydrophobicContact CD1-CB 4.16Å; Y263-H274 AromaticContact CD1-CD2 3.5Å; Y263-H274 AromaticContact CD1-CG 3.91Å; Y263-H274 HydrophobicContact CD2-CB 4.14Å; Y263-H274 HydrophobicContact CE1-CB 3.75Å; Y263-H274 AromaticContact CE1-CD2 3.43Å; Y263-H274 VanDerWaalsContact CE1-CD2 3.43Å; Y263-H274 WeakPolarHBondContact CE1-CD2 3.44Å; Y263-H274 AromaticContact CE1-CG 3.44Å; Y263-H274 VanDerWaalsContact CE1-CG 3.44Å; Y263-H274 AromaticContact CE1-ND1 3.95Å; Y263-H274 AromaticContact CE1-NE2 3.92Å; Y263-H274 HydrophobicContact CE2-CB 3.72Å; Y263-H274 HydrophobicContact CG-CB 4.34Å; Y263-H274 AromaticContact CZ-CG 3.7Å; Y263-T275 HydrophobicContact CD2-CG2 4.23Å
264F98.3Very high83.9Confident0 Ų034.1 Ų34.10%018%0.18CC..EExtended strand (participates in β ladder)trans-94.1128177.4-55.9-104.3000108.2F5 A6 F90 V189 A199 S201 L209 I210 V289F5-F264 CarbonylContact C-O 3.56Å; F5-F264 VanDerWaalsContact CA-O 3.24Å; F5-F264 WeakPolarHBondContact CA-O 3.33Å; A6-F264 HydrophobicContact CB-CB 4.07Å; A6-F264 HydrophobicContact CB-CD2 4.21Å; A6-F264 HydrophobicContact CB-CG 4.49Å; A6-F264 PolarHBondContact N-O 3.46Å; A6-F264 PolarHBondContact O-N 2.77Å; F90-F264 AromaticContact CE2-CD2 3.9Å; F90-F264 HydrophobicContact CE2-CD2 3.9Å; F90-F264 AromaticContact CE2-CE2 3.87Å; F90-F264 HydrophobicContact CE2-CE2 3.87Å; F90-F264 HydrophobicContact CZ-CD2 4.28Å; F90-F264 HydrophobicContact CZ-CE2 4.25Å; V189-F264 HydrophobicContact CG2-CB 4.41Å; A199-F264 HydrophobicContact CB-CE2 4.01Å; A199-F264 HydrophobicContact CB-CZ 3.81Å; S201-F264 WeakPolarHBondContact OG-CD1 3.32Å; S201-F264 WeakPolarHBondContact OG-CE1 3.46Å; L209-F264 WeakPolarHBondContact O-CA 3.2Å; I210-F264 HydrophobicContact CD1-CD1 3.97Å; I210-F264 HydrophobicContact CD1-CE1 3.65Å; I210-F264 HydrophobicContact CG1-CD1 3.72Å; I210-F264 HydrophobicContact CG1-CE1 3.89Å; I210-F264 HydrophobicContact CG2-CD1 4.4Å; I210-F264 HydrophobicContact CG2-CE1 4.23Å; I210-F264 HydrophobicContact CG2-CZ 4.47Å; F264-V289 HydrophobicContact CZ-CG2 3.81Å
265A97.2Very high86.4Confident0 Ų030.5 Ų30.50%016%0.161CC..EExtended strand (participates in β ladder)trans-147.5151.9177.600000113.2I4 F5 L209 D267 A270 I271I4-A265 VanDerWaalsContact O-CA 3.24Å; I4-A265 WeakPolarHBondContact O-CA 3.5Å; F5-A265 HydrophobicContact CD2-CB 4.23Å; L209-A265 VanDerWaalsContact CD2-O 3.29Å; L209-A265 WeakPolarHBondContact CD2-O 3.46Å; L209-A265 WeakPolarHBondContact CG-O 3.44Å; L209-A265 PolarHBondContact N-O 2.99Å; L209-A265 PolarHBondContact O-N 2.98Å; A265-D267 VanDerWaalsContact C-N 3.29Å; A265-D267 VanDerWaalsContact CB-O 3.32Å; A265-D267 WeakPolarHBondContact CB-O 3.4Å; A265-A270 HydrophobicContact CB-CB 4.13Å; A265-I271 HydrophobicContact CB-CD1 3.55Å; A265-I271 HydrophobicContact CB-CG1 3.72Å
266S94.3Very high88.7Confident1 Ų124.1 Ų24.11%0.00713%0.133CC..SBendtrans-81.5-6.517057.60000113.8I4 R33 N124I4-S266 PolarHBondContact N-OG 3.29Å; I4-S266 PolarHBondContact O-N 3.01Å; I4-S266 VanDerWaalsContact O-N 3.1Å; R33-S266 PolarHBondContact NH1-O 2.85Å; N124-S266 VanDerWaalsContact ND2-CB 3.35Å; N124-S266 WeakPolarHBondContact ND2-CB 3.47Å; N124-S266 PolarHBondContact ND2-OG 2.9Å
267D91.2Very high90.8Very high25 Ų2520.5 Ų20.513%0.13411%0.111CC..SBendtrans-147.6144.2175.6-166.2-74.7000110.8L30 Y32 R33 A265 S269 A270L30-D267 HydrophobicContact CD2-CB 3.54Å; Y32-D267 VanDerWaalsContact OH-CG 3.24Å; Y32-D267 PolarHBondContact OH-OD2 3.15Å; R33-D267 IonicContact CZ-OD2 2.71Å; R33-D267 IonicContact NE-OD2 3.96Å; R33-D267 PolarHBondContact NE-OD2 2.8Å; R33-D267 VanDerWaalsContact NE-OD2 3.13Å; R33-D267 IonicContact NH2-OD2 2.73Å; R33-D267 PolarHBondContact NH2-OD2 2.87Å; A265-D267 VanDerWaalsContact C-N 3.29Å; A265-D267 VanDerWaalsContact CB-O 3.32Å; A265-D267 WeakPolarHBondContact CB-O 3.4Å; D267-S269 PolarHBondContact O-N 2.97Å; D267-S269 WeakPolarHBondContact OD1-CB 3.32Å; D267-S269 PolarHBondContact OD1-N 3.48Å; D267-S269 PolarHBondContact OD1-OG 3.1Å; D267-S269 VanDerWaalsContact OD1-OG 3.08Å; D267-A270 PolarHBondContact O-N 2.79Å
268A90.6Very high92.5Very high11 Ų1119 Ų199%0.09110%0.096CC..G310 helixtrans-65.5-22.3178.900000113.9L209 A270 I271 I272 L314 M316L209-A268 HydrophobicContact CD1-CB 4.12Å; A268-A270 PolarHBondContact O-N 3.38Å; A268-I271 PolarHBondContact O-N 3.29Å; A268-I272 PolarHBondContact O-N 3.18Å; A268-L314 HydrophobicContact CB-CD1 3.81Å; A268-L314 HydrophobicContact CB-CD2 4.46Å; A268-M316 HydrophobicContact CB-SD 4.45Å
269S90.3Very high93.4Very high1 Ų115 Ų151%0.0078%0.081CC..G310 helixtrans-57.8-30.2178.268.70000113.1R29 D267 I321R29-S269 WeakPolarHBondContact CG-O 3.34Å; R29-S269 PolarHBondContact O-OG 3.02Å; D267-S269 PolarHBondContact O-N 2.97Å; D267-S269 WeakPolarHBondContact OD1-CB 3.32Å; D267-S269 PolarHBondContact OD1-N 3.48Å; D267-S269 PolarHBondContact OD1-OG 3.1Å; D267-S269 VanDerWaalsContact OD1-OG 3.08Å; S269-I321 WeakPolarHBondContact O-CD1 3.33Å
270A93.4Very high93.5Very high0 Ų016.3 Ų16.30%08%0.08CC..G310 helixtrans-83.2-15.6177.900000113.4F5 R29 L30 A265 D267 A268F5-A270 HydrophobicContact CD2-CB 3.69Å; F5-A270 HydrophobicContact CE2-CB 4.05Å; F5-A270 WeakPolarHBondContact CE2-O 3.46Å; R29-A270 HydrophobicContact CB-CB 4.08Å; L30-A270 HydrophobicContact CD1-CB 4.06Å; L30-A270 HydrophobicContact CD2-CB 4Å; L30-A270 HydrophobicContact CG-CB 3.91Å; A265-A270 HydrophobicContact CB-CB 4.13Å; D267-A270 PolarHBondContact O-N 2.79Å; A268-A270 PolarHBondContact O-N 3.38Å
271I93.8Very high93.5Very high0 Ų016.3 Ų16.30%08%0.08CC..THydrogen-bonded Turntrans-100.9-34.1-176.6-67.3168.5000111.4L209 Y263 A265 A268 E273 H274 T275 V278L209-I271 HydrophobicContact CD1-CD1 3.49Å; L209-I271 VanDerWaalsContact CD1-CD1 3.49Å; L209-I271 HydrophobicContact CG-CD1 3.76Å; Y263-I271 WeakPolarHBondContact O-CD1 3.34Å; A265-I271 HydrophobicContact CB-CD1 3.55Å; A265-I271 HydrophobicContact CB-CG1 3.72Å; A268-I271 PolarHBondContact O-N 3.29Å; I271-E273 PolarHBondContact O-N 3.37Å; I271-H274 WeakPolarHBondContact O-CA 3.48Å; I271-H274 WeakPolarHBondContact O-CB 3.4Å; I271-H274 PolarHBondContact O-N 3.15Å; I271-T275 HydrophobicContact CG2-CG2 3.64Å; I271-T275 PolarHBondContact O-N 3.29Å; I271-T275 VanDerWaalsContact O-O 3.14Å; I271-V278 HydrophobicContact CG2-CG1 3.82Å
272I91.9Very high93.2Very high20 Ų2018.2 Ų18.210%0.1039%0.089CC..THydrogen-bonded Turntrans-60.5-24.5-167.8-164.758.7000114.6A268 H274 T275 N276 L314 M316 I321A268-I272 PolarHBondContact O-N 3.18Å; I272-H274 VanDerWaalsContact C-N 3.27Å; I272-H274 PolarHBondContact O-N 2.89Å; I272-T275 WeakPolarHBondContact CA-O 3.4Å; I272-N276 HydrophobicContact CD1-CB 3.89Å; I272-L314 HydrophobicContact CD1-CB 3.99Å; I272-L314 HydrophobicContact CD1-CD1 3.97Å; I272-M316 HydrophobicContact CD1-CB 4.3Å; I272-M316 VanDerWaalsContact CD1-O 3.32Å; I272-M316 WeakPolarHBondContact CD1-O 3.03Å; I272-M316 HydrophobicContact CG1-CB 4.31Å; I272-M316 HydrophobicContact CG1-CG 4.35Å; I272-M316 WeakPolarHBondContact CG1-O 2.84Å; I272-I321 HydrophobicContact CG2-CD1 3.47Å; I272-I321 VanDerWaalsContact CG2-CD1 3.47Å; I272-I321 HydrophobicContact CG2-CG1 4.46Å
273E90Very high92.8Very high35 Ų3520.5 Ų20.516%0.16410%0.101CC..THydrogen-bonded Turntrans-75.7-15.6174.961174.8-142.800114R25 R29 I271 M318R25-E273 WeakPolarHBondContact CD-OE1 3.07Å; R25-E273 WeakPolarHBondContact CG-OE1 3.39Å; R29-E273 IonicContact CZ-OE2 3.71Å; R29-E273 IonicContact NE-OE2 2.93Å; R29-E273 PolarHBondContact NE-OE2 2.61Å; R29-E273 IonicContact NH2-OE2 4Å; R29-E273 PolarHBondContact NH2-OE2 3.09Å; I271-E273 PolarHBondContact O-N 3.37Å; E273-M318 HydrophobicContact CB-CE 3.31Å
274H93Very high92.4Very high26 Ų2622.4 Ų22.412%0.1211%0.111CC..THydrogen-bonded Turntrans-104.5-43.4179.1-56-56.1000111.9F5 R213 Y263 I271 I272F5-H274 AromaticContact CZ-NE2 3.94Å; R213-H274 WeakPolarHBondContact CD-O 3.37Å; Y263-H274 HydrophobicContact CD1-CB 4.16Å; Y263-H274 AromaticContact CD1-CD2 3.5Å; Y263-H274 AromaticContact CD1-CG 3.91Å; Y263-H274 HydrophobicContact CD2-CB 4.14Å; Y263-H274 HydrophobicContact CE1-CB 3.75Å; Y263-H274 AromaticContact CE1-CD2 3.43Å; Y263-H274 VanDerWaalsContact CE1-CD2 3.43Å; Y263-H274 WeakPolarHBondContact CE1-CD2 3.44Å; Y263-H274 AromaticContact CE1-CG 3.44Å; Y263-H274 VanDerWaalsContact CE1-CG 3.44Å; Y263-H274 AromaticContact CE1-ND1 3.95Å; Y263-H274 AromaticContact CE1-NE2 3.92Å; Y263-H274 HydrophobicContact CE2-CB 3.72Å; Y263-H274 HydrophobicContact CG-CB 4.34Å; Y263-H274 AromaticContact CZ-CG 3.7Å; I271-H274 WeakPolarHBondContact O-CA 3.48Å; I271-H274 WeakPolarHBondContact O-CB 3.4Å; I271-H274 PolarHBondContact O-N 3.15Å; I272-H274 VanDerWaalsContact C-N 3.27Å; I272-H274 PolarHBondContact O-N 2.89Å
275T93.4Very high92.2Very high18 Ų1822.4 Ų22.411%0.1111%0.111CC..  trans-158.5150.7-178.6-177.20000110.9V212 Y263 I271 I272 K277V212-T275 WeakPolarHBondContact O-CB 3.2Å; V212-T275 WeakPolarHBondContact O-CG2 3.18Å; V212-T275 PolarHBondContact O-OG1 3.08Å; Y263-T275 HydrophobicContact CD2-CG2 4.23Å; I271-T275 HydrophobicContact CG2-CG2 3.64Å; I271-T275 PolarHBondContact O-N 3.29Å; I271-T275 VanDerWaalsContact O-O 3.14Å; I272-T275 WeakPolarHBondContact CA-O 3.4Å; T275-K277 PolarHBondContact OG1-N 3.35Å; T275-K277 VanDerWaalsContact OG1-N 3.13Å
276N91.6Very high92.2Very high73 Ų7322.4 Ų22.439%0.3911%0.111SC..SBendtrans-99.5-2.8170.264.7-2.1000112.6I272 T313 L314I272-N276 HydrophobicContact CD1-CB 3.89Å; N276-T313 HydrophobicContact CB-CG2 4.4Å; N276-T313 CarbonylContact O-C 3.48Å; N276-T313 WeakPolarHBondContact O-CA 3.34Å; N276-L314 HydrophobicContact CB-CB 4.36Å; N276-L314 PolarHBondContact O-N 2.81Å
277K92.8Very high92.3Very high64 Ų6422.3 Ų22.328%0.27811%0.111SC..EExtended strand (participates in β ladder)trans-88.1111.9175.5-69-161.4178.1-156.90109.8G211 V212 L218 E221 T275 I311 Q312G211-K277 WeakPolarHBondContact CA-O 3.39Å; V212-K277 PolarHBondContact N-O 3.14Å; V212-K277 VanDerWaalsContact N-O 3.09Å; L218-K277 HydrophobicContact CD1-CD 4.17Å; E221-K277 IonicContact OE1-NZ 2.88Å; E221-K277 PolarHBondContact OE1-NZ 2.87Å; T275-K277 PolarHBondContact OG1-N 3.35Å; T275-K277 VanDerWaalsContact OG1-N 3.13Å; K277-I311 HydrophobicContact CB-CG2 3.79Å; K277-I311 HydrophobicContact CD-CG2 4.41Å; K277-I311 HydrophobicContact CG-CG2 4.4Å; K277-Q312 WeakPolarHBondContact CA-O 3.44Å
278V92.9Very high92.6Very high0 Ų021.5 Ų21.50%011%0.108CC..EExtended strand (participates in β ladder)trans-132145.5-176.7-56.30000112.7L209 I210 I271 Y280 I311 Q312 L314L209-V278 HydrophobicContact CD1-CB 4Å; L209-V278 HydrophobicContact CD1-CG1 4.02Å; L209-V278 HydrophobicContact CD1-CG2 4.33Å; I210-V278 CarbonylContact O-C 3.51Å; I210-V278 WeakPolarHBondContact O-CA 3.24Å; I271-V278 HydrophobicContact CG2-CG1 3.82Å; V278-Y280 HydrophobicContact CG2-CD2 4.15Å; V278-Y280 HydrophobicContact CG2-CE2 3.63Å; V278-I311 WeakPolarHBondContact O-CA 3.22Å; V278-Q312 PolarHBondContact N-O 3.37Å; V278-Q312 PolarHBondContact O-N 3.3Å; V278-L314 HydrophobicContact CB-CD1 4.48Å; V278-L314 HydrophobicContact CG1-CD1 3.59Å; V278-L314 HydrophobicContact CG1-CG 4.03Å; V278-L314 HydrophobicContact CG2-CD1 4.04Å; V278-L314 HydrophobicContact CG2-CD2 3.66Å; V278-L314 HydrophobicContact CG2-CG 3.64Å
279L93Very high92.8Very high0 Ų021.1 Ų21.10%010%0.104CC..EExtended strand (participates in β ladder)trans-107.5121.5168.8-178.8152.3000108.7L209 I210 I223 M281 I296 R309L209-L279 CarbonylContact C-O 3.56Å; L209-L279 VanDerWaalsContact CA-O 3.22Å; L209-L279 WeakPolarHBondContact CA-O 3.18Å; L209-L279 WeakPolarHBondContact CB-O 3.38Å; I210-L279 PolarHBondContact N-O 2.99Å; I210-L279 PolarHBondContact O-N 3.23Å; I223-L279 HydrophobicContact CB-CD1 4.45Å; I223-L279 HydrophobicContact CD1-CD1 3.25Å; I223-L279 HydrophobicContact CG1-CD1 3.91Å; L279-M281 HydrophobicContact CD2-CG 4.1Å; L279-I296 HydrophobicContact CD2-CD1 4.27Å; L279-R309 HydrophobicContact CD1-CB 3.64Å; L279-R309 HydrophobicContact CD2-CB 4.21Å; L279-R309 HydrophobicContact CG-CB 3.93Å
280Y91.1Very high92.9Very high54 Ų5426.5 Ų26.521%0.21213%0.128CC..EExtended strand (participates in β ladder)trans-84.2124.3172.5-74.2-86000109.8L209 V278 L314L209-Y280 HydrophobicContact CB-CD1 4.09Å; L209-Y280 HydrophobicContact CB-CE1 4.4Å; L209-Y280 HydrophobicContact CD1-CE1 4.39Å; L209-Y280 HydrophobicContact CD2-CE1 4.28Å; V278-Y280 HydrophobicContact CG2-CD2 4.15Å; V278-Y280 HydrophobicContact CG2-CE2 3.63Å; Y280-L314 HydrophobicContact CE2-CD2 4.32Å; Y280-L314 WeakPolarHBondContact OH-CD2 3.22Å
281M92.1Very high92.7Very high1 Ų128.5 Ų28.51%0.00515%0.148CC..  trans-78.2150.2173.9-59.1-177.265.900110.2S201 R203 L208 I210 L279 D285 A287S201-M281 WeakPolarHBondContact O-CE 3.38Å; R203-M281 WeakPolarHBondContact CD-O 3.38Å; R203-M281 HydrophobicContact CG-CB 3.92Å; L208-M281 HydrophobicContact CB-SD 4.21Å; L208-M281 HydrophobicContact CD2-SD 3.73Å; L208-M281 HydrophobicContact CG-SD 3.82Å; L208-M281 WeakPolarHBondContact O-CB 3.38Å; L208-M281 PolarHBondContact O-N 3.08Å; L208-M281 VanDerWaalsContact O-N 3.08Å; I210-M281 HydrophobicContact CD1-CG 4.43Å; I210-M281 HydrophobicContact CD1-SD 4.04Å; I210-M281 HydrophobicContact CG1-CG 4.48Å; I210-M281 HydrophobicContact CG1-SD 4.24Å; L279-M281 HydrophobicContact CD2-CG 4.1Å; M281-D285 HydrophobicContact CB-CB 4.39Å; M281-D285 HydrophobicContact CE-CB 3.81Å; M281-D285 WeakPolarHBondContact CE-O 3.44Å; M281-A287 HydrophobicContact CE-CB 3.62Å; M281-A287 HydrophobicContact SD-CB 4.04Å
282E90.1Very high92.4Very high51 Ų5128.6 Ų28.624%0.23815%0.149CC..  trans-106170170.5-66.3-172.2171.200111.2R203 D284 D285 R298 R309R203-E282 WeakPolarHBondContact CG-O 3.4Å; E282-D284 PolarHBondContact O-N 2.85Å; E282-D285 PolarHBondContact N-OD2 3.08Å; E282-D285 VanDerWaalsContact O-CB 3.32Å; E282-D285 WeakPolarHBondContact O-CB 3.2Å; E282-D285 PolarHBondContact O-N 2.8Å; E282-R298 IonicContact OE2-CZ 3.77Å; E282-R298 IonicContact OE2-NH1 3.8Å; E282-R298 IonicContact OE2-NH2 2.68Å; E282-R298 PolarHBondContact OE2-NH2 3.26Å; E282-R309 IonicContact OE2-CZ 3.94Å; E282-R309 VanDerWaalsContact OE2-CZ 3.27Å; E282-R309 IonicContact OE2-NE 3.77Å; E282-R309 IonicContact OE2-NH1 3.03Å; E282-R309 IonicContact OE2-NH2 3.89Å; E282-R309 PolarHBondContact OE2-NH2 3.38Å; E282-R309 VanDerWaalsContact OE2-NH2 3.1Å
283D89.4Confident92.3Very high48 Ų4830.7 Ų30.726%0.25716%0.159SC..THydrogen-bonded Turntrans-59.3139.8177.1-74.3-3.2000110.7R203 R204 G205 D285 R298R203-D283 IonicContact CZ-OD1 2.84Å; R203-D283 IonicContact NE-OD1 3.51Å; R203-D283 PolarHBondContact NE-OD1 3.43Å; R203-D283 IonicContact NH2-OD1 2.71Å; R203-D283 PolarHBondContact NH2-OD1 3.48Å; R203-D283 CarbonylContact O-C 3.54Å; R203-D283 WeakPolarHBondContact O-CA 3.22Å; R204-D283 WeakPolarHBondContact CA-OD1 3.5Å; G205-D283 VanDerWaalsContact N-CG 3.29Å; G205-D283 PolarHBondContact N-OD1 2.87Å; G205-D283 PolarHBondContact N-OD2 3.44Å; D283-D285 PolarHBondContact O-N 3.09Å; D283-D285 VanDerWaalsContact O-N 3.13Å; D283-R298 PolarHBondContact O-NH2 3.11Å
284D91Very high92.5Very high42 Ų4229 Ų2923%0.22515%0.151CC..THydrogen-bonded Turntrans637.3-176.5-56.9-49.5000115.9R203 R204 E282 I286R203-D284 PolarHBondContact O-N 2.81Å; R204-D284 IonicContact CZ-OD1 3.13Å; R204-D284 IonicContact NE-OD1 2.66Å; R204-D284 PolarHBondContact NE-OD1 3.45Å; R204-D284 IonicContact NH2-OD1 2.88Å; R204-D284 PolarHBondContact NH2-OD1 2.75Å; E282-D284 PolarHBondContact O-N 2.85Å; D284-I286 PolarHBondContact O-N 3.44Å
285D94.2Very high92.5Very high0 Ų028.7 Ų28.70%015%0.151CC..  trans-65.4133.8166.5-72.4-5.4000110.2T202 M281 E282 D283 I296 R298 R309T202-D285 WeakPolarHBondContact CA-O 3.15Å; T202-D285 VanDerWaalsContact CB-O 3.26Å; T202-D285 WeakPolarHBondContact CB-O 3.29Å; T202-D285 PolarHBondContact OG1-O 3.23Å; M281-D285 HydrophobicContact CB-CB 4.39Å; M281-D285 HydrophobicContact CE-CB 3.81Å; M281-D285 WeakPolarHBondContact CE-O 3.44Å; E282-D285 PolarHBondContact N-OD2 3.08Å; E282-D285 VanDerWaalsContact O-CB 3.32Å; E282-D285 WeakPolarHBondContact O-CB 3.2Å; E282-D285 PolarHBondContact O-N 2.8Å; D283-D285 PolarHBondContact O-N 3.09Å; D283-D285 VanDerWaalsContact O-N 3.13Å; D285-I296 HydrophobicContact CB-CG2 4.14Å; D285-R298 IonicContact OD1-CZ 3.6Å; D285-R298 VanDerWaalsContact OD1-CZ 3.29Å; D285-R298 IonicContact OD1-NE 3.82Å; D285-R298 PolarHBondContact OD1-NE 2.63Å; D285-R298 IonicContact OD1-NH2 3.58Å; D285-R298 PolarHBondContact OD1-NH2 3.21Å; D285-R298 VanDerWaalsContact OD1-NH2 3.14Å; D285-R309 IonicContact OD1-CZ 3.64Å; D285-R309 IonicContact OD1-NE 3.56Å; D285-R309 IonicContact OD1-NH2 3.21Å; D285-R309 PolarHBondContact OD1-NH2 3.38Å; D285-R309 IonicContact OD2-CZ 3.39Å; D285-R309 IonicContact OD2-NE 2.99Å; D285-R309 PolarHBondContact OD2-NE 3.37Å; D285-R309 IonicContact OD2-NH2 2.73Å; D285-R309 PolarHBondContact OD2-NH2 3.23Å
286I96.3Very high92.5Very high0 Ų027.9 Ų27.90%015%0.146CC..EExtended strand (participates in β ladder)trans-114.8103.8169.2-55171.7000107.4V175 E176 I179 V200 D284 I296 H297V175-I286 HydrophobicContact CG1-CG2 4.46Å; E176-I286 HydrophobicContact CB-CD1 3.59Å; E176-I286 HydrophobicContact CG-CD1 3.83Å; I179-I286 HydrophobicContact CD1-CD1 3.76Å; I179-I286 HydrophobicContact CD1-CG1 3.85Å; V200-I286 HydrophobicContact CG1-CG2 3.76Å; D284-I286 PolarHBondContact O-N 3.44Å; I286-I296 WeakPolarHBondContact O-CA 3.19Å; I286-H297 HydrophobicContact CB-CB 4.27Å; I286-H297 PolarHBondContact N-O 2.82Å; I286-H297 PolarHBondContact O-N 2.96Å
287A96.6Very high92.5Very high0 Ų025.4 Ų25.40%013%0.132CC..EExtended strand (participates in β ladder)trans-87.5127.4174.200000109.8V200 S201 I210 M281 L294 S295 I296V200-A287 CarbonylContact C-O 3.46Å; V200-A287 WeakPolarHBondContact CA-O 3.22Å; S201-A287 PolarHBondContact N-O 3.08Å; S201-A287 PolarHBondContact O-N 3.22Å; I210-A287 HydrophobicContact CD1-CB 3.46Å; I210-A287 VanDerWaalsContact CD1-CB 3.46Å; M281-A287 HydrophobicContact CE-CB 3.62Å; M281-A287 HydrophobicContact SD-CB 4.04Å; A287-L294 HydrophobicContact CB-CD1 4.14Å; A287-S295 WeakPolarHBondContact CA-O 3.29Å; A287-I296 HydrophobicContact CB-CD1 3.54Å
288A96.7Very high92.4Very high8 Ų822.9 Ų22.97%0.06612%0.121CC..EExtended strand (participates in β ladder)trans-126.5127.4177.900000110.4A199 V200 S295A199-A288 CarbonylContact O-C 3.54Å; A199-A288 WeakPolarHBondContact O-CA 3.34Å; V200-A288 HydrophobicContact CG2-CB 4.22Å; A288-S295 PolarHBondContact N-O 2.81Å; A288-S295 PolarHBondContact O-N 3.33Å; A288-S295 PolarHBondContact O-OG 3.13Å
289V95.3Very high91.9Very high2 Ų224.6 Ų24.61%0.01213%0.13CC..EExtended strand (participates in β ladder)trans-103.4114.1169.2-178.20000108.5L8 E198 A199 Y262 F264 E293 L294L8-V289 HydrophobicContact CD1-CB 4.31Å; L8-V289 HydrophobicContact CD1-CG1 4.07Å; L8-V289 HydrophobicContact CD2-CG1 4.23Å; E198-V289 VanDerWaalsContact CA-O 3.3Å; E198-V289 WeakPolarHBondContact CA-O 3.41Å; A199-V289 HydrophobicContact CB-CB 4.22Å; A199-V289 PolarHBondContact N-O 2.83Å; A199-V289 VanDerWaalsContact N-O 3.14Å; A199-V289 PolarHBondContact O-N 2.87Å; Y262-V289 HydrophobicContact CD1-CG2 4.45Å; Y262-V289 HydrophobicContact CD2-CG1 3.98Å; Y262-V289 HydrophobicContact CD2-CG2 4.23Å; Y262-V289 HydrophobicContact CE2-CG1 3.77Å; Y262-V289 HydrophobicContact CE2-CG2 4.35Å; Y262-V289 HydrophobicContact CG-CG2 4.26Å; F264-V289 HydrophobicContact CZ-CG2 3.81Å; V289-E293 VanDerWaalsContact CA-O 3.26Å; V289-E293 WeakPolarHBondContact CA-O 3.35Å; V289-L294 HydrophobicContact CG2-CB 4.28Å; V289-L294 HydrophobicContact CG2-CD1 3.71Å
290K93Very high91.1Very high115 Ų11530.2 Ų30.250%0.516%0.16SC..EExtended strand (participates in β ladder)trans-133.7129.7177.9178.8174.4-177.4-179.40109.3E198 G292 E293E198-K290 HydrophobicContact CG-CB 4.45Å; E198-K290 HydrophobicContact CG-CG 4.32Å; E198-K290 WeakPolarHBondContact OE1-CD 3.42Å; E198-K290 WeakPolarHBondContact OE1-CE 3.19Å; E198-K290 WeakPolarHBondContact OE1-CG 3.36Å; K290-G292 PolarHBondContact O-N 2.88Å; K290-E293 PolarHBondContact N-O 3.22Å; K290-E293 WeakPolarHBondContact O-CB 3.48Å; K290-E293 PolarHBondContact O-N 2.93Å
291G89.3Confident90.4Very high42 Ų4236 Ų3643%0.43318%0.181SC..THydrogen-bonded Turntrans59.227.3-177.300000113.8Y10 E293Y10-G291 WeakPolarHBondContact CE1-O 3.48Å; Y10-G291 VanDerWaalsContact CZ-O 3.31Å; Y10-G291 PolarHBondContact OH-O 3Å; G291-E293 PolarHBondContact O-N 2.79Å
292G87.5Confident89.4Confident2 Ų241.7 Ų41.72%0.02121%0.208CC..THydrogen-bonded Turntrans80.8-3.6-175.600000114.8Y262 K290Y262-G292 WeakPolarHBondContact CE2-O 3.5Å; Y262-G292 PolarHBondContact OH-O 2.89Å; K290-G292 PolarHBondContact O-N 2.88Å
293E89.9Confident88.1Confident64 Ų6444.6 Ų44.630%0.29924%0.241SC..EExtended strand (participates in β ladder)trans-94.7126.1179.7-67.1179.7-16900111.8A250 I251 N252 V289 K290 G291A250-E293 HydrophobicContact CB-CB 3.95Å; A250-E293 HydrophobicContact CB-CG 4.4Å; A250-E293 WeakPolarHBondContact CB-OE2 3.47Å; I251-E293 WeakPolarHBondContact O-CA 3.28Å; N252-E293 HydrophobicContact CB-CG 4.02Å; V289-E293 VanDerWaalsContact CA-O 3.26Å; V289-E293 WeakPolarHBondContact CA-O 3.35Å; K290-E293 PolarHBondContact N-O 3.22Å; K290-E293 WeakPolarHBondContact O-CB 3.48Å; K290-E293 PolarHBondContact O-N 2.93Å; G291-E293 PolarHBondContact O-N 2.79Å
294L92.7Very high86.9Confident0 Ų046.2 Ų46.20%027%0.269CS..EExtended strand (participates in β ladder)trans-87.5127.5171.7178.663.6000110.8I210 I223 I251 Y262 A287 V289I210-L294 HydrophobicContact CD1-CD1 3.98Å; I210-L294 HydrophobicContact CD1-CD2 4.29Å; I210-L294 HydrophobicContact CG2-CD2 4.2Å; I223-L294 HydrophobicContact CD1-CD2 3.73Å; I223-L294 HydrophobicContact CD1-CG 4.02Å; I251-L294 HydrophobicContact CB-CB 4.33Å; I251-L294 HydrophobicContact CD1-CB 4.43Å; I251-L294 HydrophobicContact CD1-CD2 4.25Å; I251-L294 PolarHBondContact N-O 3.2Å; Y262-L294 HydrophobicContact CD1-CD2 4.44Å; Y262-L294 HydrophobicContact CE1-CB 3.73Å; Y262-L294 HydrophobicContact CE1-CD2 4.1Å; Y262-L294 HydrophobicContact CE1-CG 4.47Å; Y262-L294 PolarHBondContact OH-N 2.99Å; A287-L294 HydrophobicContact CB-CD1 4.14Å; V289-L294 HydrophobicContact CG2-CB 4.28Å; V289-L294 HydrophobicContact CG2-CD1 3.71Å
295S93.5Very high86Confident19 Ų1945.8 Ų45.813%0.13327%0.266CS..EExtended strand (participates in β ladder)trans-129.914917459.50000111A287 A288 H297A287-S295 WeakPolarHBondContact CA-O 3.29Å; A288-S295 PolarHBondContact N-O 2.81Å; A288-S295 PolarHBondContact O-N 3.33Å; A288-S295 PolarHBondContact O-OG 3.13Å; S295-H297 PolarHBondContact OG-NE2 2.84Å
296I93.9Very high85.1Confident0 Ų049.8 Ų49.80%029%0.288CS..EExtended strand (participates in β ladder)trans-116.7127.5177.2-54.8-62.4000109.1I223 V225 Q226 L279 D285 I286 A287 R309I223-I296 HydrophobicContact CB-CG1 4.44Å; I223-I296 HydrophobicContact CD1-CG1 4.47Å; I223-I296 HydrophobicContact CG2-CG1 4Å; V225-I296 HydrophobicContact CG2-CG2 4.22Å; Q226-I296 PolarHBondContact N-O 3.49Å; L279-I296 HydrophobicContact CD2-CD1 4.27Å; D285-I296 HydrophobicContact CB-CG2 4.14Å; I286-I296 WeakPolarHBondContact O-CA 3.19Å; A287-I296 HydrophobicContact CB-CD1 3.54Å; I296-R309 HydrophobicContact CG1-CG 4.38Å; I296-R309 HydrophobicContact CG2-CG 4.4Å
297H91.6Very high84.3Confident22 Ų2252.8 Ų52.810%0.10231%0.307CS..EExtended strand (participates in β ladder)trans-119.2147.5-179.5-55.5-97.1000110.8Q226 I286 S295Q226-H297 CarbonylContact O-C 3.42Å; Q226-H297 VanDerWaalsContact O-CA 3.31Å; Q226-H297 WeakPolarHBondContact O-CA 3.25Å; Q226-H297 PolarHBondContact OE1-CE1 3.49Å; I286-H297 HydrophobicContact CB-CB 4.27Å; I286-H297 PolarHBondContact N-O 2.82Å; I286-H297 PolarHBondContact O-N 2.96Å; S295-H297 PolarHBondContact OG-NE2 2.84Å
298R89.6Confident83.8Confident11 Ų1154.4 Ų54.44%0.04232%0.317CS..EExtended strand (participates in β ladder)trans-135.3151.1168.7-82.2-167.1171.2178.4-2.8110.5V225 Q226 Y227 N228 E282 D283 D285 D305V225-R298 HydrophobicContact CG1-CB 3.85Å; V225-R298 HydrophobicContact CG1-CG 3.74Å; Q226-R298 PolarHBondContact O-N 3.36Å; Y227-R298 WeakPolarHBondContact CA-O 3.46Å; Y227-R298 HydrophobicContact CD1-CB 3.96Å; Y227-R298 HydrophobicContact CE1-CB 3.83Å; N228-R298 PolarHBondContact N-O 2.7Å; E282-R298 IonicContact OE2-CZ 3.77Å; E282-R298 IonicContact OE2-NH1 3.8Å; E282-R298 IonicContact OE2-NH2 2.68Å; E282-R298 PolarHBondContact OE2-NH2 3.26Å; D283-R298 PolarHBondContact O-NH2 3.11Å; D285-R298 IonicContact OD1-CZ 3.6Å; D285-R298 VanDerWaalsContact OD1-CZ 3.29Å; D285-R298 IonicContact OD1-NE 3.82Å; D285-R298 PolarHBondContact OD1-NE 2.63Å; D285-R298 IonicContact OD1-NH2 3.58Å; D285-R298 PolarHBondContact OD1-NH2 3.21Å; D285-R298 VanDerWaalsContact OD1-NH2 3.14Å; R298-D305 IonicContact NH1-OD1 2.57Å; R298-D305 PolarHBondContact NH1-OD1 3.1Å; R298-D305 IonicContact NH1-OD2 3.03Å; R298-D305 PolarHBondContact NH1-OD2 3.32Å
299I82.9Confident83.5Confident36 Ų3654.3 Ų54.319%0.18532%0.315CS..SBendtrans-73.1-54.9177.7-58.4164.1000110.1E176 I179 Q180E176-I299 HydrophobicContact CG-CD1 3.81Å; E176-I299 HydrophobicContact CG-CG1 3.48Å; E176-I299 VanDerWaalsContact CG-CG1 3.48Å; I179-I299 HydrophobicContact CD1-CD1 4.45Å; Q180-I299 HydrophobicContact CG-CD1 3.63Å
300N77.3Confident83.2Confident118 Ų11856.1 Ų56.163%0.63133%0.33SS*.SBendtrans-126.7147.3-174.1-69.3-39000110.2
301R75.3Confident83Confident174 Ų17451.4 Ų51.466%0.65731%0.31SS*.PPolyproline II helixtrans-87.9121169.3-172174.4-177.1-178.72.1109.5Y227Y227-R301 HydrophobicContact CD1-CB 4Å; Y227-R301 HydrophobicContact CE1-CB 3.55Å; Y227-R301 HydrophobicContact CE1-CG 4.05Å
302Q71.6Confident83Confident121 Ų12153.9 Ų53.957%0.56531%0.31SS*.PPolyproline II helixtrans-94.7154.8171.1-57.2-170.89.200111G304 D305Q302-G304 PolarHBondContact O-N 3.46Å; Q302-D305 WeakPolarHBondContact CB-OD2 3.39Å; Q302-D305 PolarHBondContact N-OD2 3.35Å; Q302-D305 PolarHBondContact O-N 3Å
303A62Low83.1Confident112 Ų11258 Ų5893%0.92634%0.335SS*.THydrogen-bonded Turntrans-68.8117.7176.200000109.6
304G64.7Low82.9Confident82 Ų8256 Ų5685%0.84533%0.326SS*.THydrogen-bonded Turntrans105.1-6.5-177.300000114.8Q302 D306Q302-G304 PolarHBondContact O-N 3.46Å; G304-D306 PolarHBondContact O-N 3.42Å
305D73Confident82.3Confident33 Ų3365.3 Ų65.318%0.17637%0.37CS..  trans-65130.5175.1-75.9-19.6000111.7R298 Q302 P307R298-D305 IonicContact NH1-OD1 2.57Å; R298-D305 PolarHBondContact NH1-OD1 3.1Å; R298-D305 IonicContact NH1-OD2 3.03Å; R298-D305 PolarHBondContact NH1-OD2 3.32Å; Q302-D305 WeakPolarHBondContact CB-OD2 3.39Å; Q302-D305 PolarHBondContact N-OD2 3.35Å; Q302-D305 PolarHBondContact O-N 3Å; D305-P307 WeakPolarHBondContact O-CD 3.5Å
306D73.5Confident81.6Confident85 Ų8566.1 Ų66.146%0.45537%0.372SS..  trans-66.1121.7169.5-166.4-26.6000108.4G304 V308 R309G304-D306 PolarHBondContact O-N 3.42Å; D306-V308 VanDerWaalsContact CG-O 3.25Å; D306-V308 PolarHBondContact O-N 3.41Å; D306-V308 VanDerWaalsContact O-N 3.14Å; D306-V308 PolarHBondContact OD1-N 2.9Å; D306-R309 PolarHBondContact O-NH1 3.01Å
307P81.1Confident80.9Confident62 Ų6271.6 Ų71.640%0.40340%0.398SS..SBendtrans-67.3-7.9177.929.3-37.4000113.4V225 D305V225-P307 PolarHBondContact N-O 2.86Å; D305-P307 WeakPolarHBondContact O-CD 3.5Å
308V86.4Confident80.3Confident34 Ų3474.4 Ų74.421%0.20641%0.412CS..EExtended strand (participates in β ladder)trans-130.7149-174.2174.40000110.6Q222 I223 D306Q222-V308 HydrophobicContact CB-CG1 3.44Å; Q222-V308 VanDerWaalsContact CB-CG1 3.44Å; Q222-V308 HydrophobicContact CG-CG1 3.7Å; I223-V308 CarbonylContact O-C 3.58Å; I223-V308 WeakPolarHBondContact O-CA 3.27Å; D306-V308 VanDerWaalsContact CG-O 3.25Å; D306-V308 PolarHBondContact O-N 3.41Å; D306-V308 VanDerWaalsContact O-N 3.14Å; D306-V308 PolarHBondContact OD1-N 2.9Å
309R89Confident79.9Confident7 Ų780.9 Ų80.93%0.02644%0.443CS..EExtended strand (participates in β ladder)trans-109.7115.4165.4-63.2-64.9173.2-86.6-10109.4I223 V225 L279 E282 D285 I296 D306I223-R309 PolarHBondContact N-O 2.83Å; I223-R309 PolarHBondContact O-N 2.76Å; V225-R309 HydrophobicContact CG2-CG 4.27Å; L279-R309 HydrophobicContact CD1-CB 3.64Å; L279-R309 HydrophobicContact CD2-CB 4.21Å; L279-R309 HydrophobicContact CG-CB 3.93Å; E282-R309 IonicContact OE2-CZ 3.94Å; E282-R309 VanDerWaalsContact OE2-CZ 3.27Å; E282-R309 IonicContact OE2-NE 3.77Å; E282-R309 IonicContact OE2-NH1 3.03Å; E282-R309 IonicContact OE2-NH2 3.89Å; E282-R309 PolarHBondContact OE2-NH2 3.38Å; E282-R309 VanDerWaalsContact OE2-NH2 3.1Å; D285-R309 IonicContact OD1-CZ 3.64Å; D285-R309 IonicContact OD1-NE 3.56Å; D285-R309 IonicContact OD1-NH2 3.21Å; D285-R309 PolarHBondContact OD1-NH2 3.38Å; D285-R309 IonicContact OD2-CZ 3.39Å; D285-R309 IonicContact OD2-NE 2.99Å; D285-R309 PolarHBondContact OD2-NE 3.37Å; D285-R309 IonicContact OD2-NH2 2.73Å; D285-R309 PolarHBondContact OD2-NH2 3.23Å; I296-R309 HydrophobicContact CG1-CG 4.38Å; I296-R309 HydrophobicContact CG2-CG 4.4Å; D306-R309 PolarHBondContact O-NH1 3.01Å
310A88.9Confident79.9Confident40 Ų4082 Ų8233%0.33145%0.447SS..EExtended strand (participates in β ladder)trans-83137.1178.600000111.4E221 Q312E221-A310 CarbonylContact O-C 3.55Å; E221-A310 WeakPolarHBondContact O-CA 3.26Å; A310-Q312 PolarHBondContact O-N 3.12Å
311I89.9Confident80.2Confident15 Ų1576.6 Ų76.68%0.07742%0.418CS..EExtended strand (participates in β ladder)trans-76.3118.8164.1-57.1-179.2000107.3L218 E221 I251 K277 V278L218-I311 HydrophobicContact CD1-CD1 3.91Å; E221-I311 HydrophobicContact CB-CB 4.47Å; E221-I311 PolarHBondContact O-N 3.16Å; I251-I311 HydrophobicContact CD1-CD1 3.75Å; K277-I311 HydrophobicContact CB-CG2 3.79Å; K277-I311 HydrophobicContact CD-CG2 4.41Å; K277-I311 HydrophobicContact CG-CG2 4.4Å; V278-I311 WeakPolarHBondContact O-CA 3.22Å
312Q89.6Confident80.7Confident94 Ų9472.3 Ų72.344%0.43941%0.406SS..EExtended strand (participates in β ladder)trans-105.4148.2-178.6-60.2179.27.600110.1K277 V278 A310K277-Q312 WeakPolarHBondContact CA-O 3.44Å; V278-Q312 PolarHBondContact N-O 3.37Å; V278-Q312 PolarHBondContact O-N 3.3Å; A310-Q312 PolarHBondContact O-N 3.12Å
313T89.1Confident81.4Confident88 Ų8870.1 Ų70.154%0.5440%0.395SS..EExtended strand (participates in β ladder)trans-91.9119.1170.7-58.70000109.7N276N276-T313 HydrophobicContact CB-CG2 4.4Å; N276-T313 CarbonylContact O-C 3.48Å; N276-T313 WeakPolarHBondContact O-CA 3.34Å
314L85.8Confident82.7Confident22 Ų2267.7 Ų67.712%0.11538%0.381CS..  trans-66.1130.7175.1-67.3176.9000110.8A268 I272 N276 V278 Y280 M316A268-L314 HydrophobicContact CB-CD1 3.81Å; A268-L314 HydrophobicContact CB-CD2 4.46Å; I272-L314 HydrophobicContact CD1-CB 3.99Å; I272-L314 HydrophobicContact CD1-CD1 3.97Å; N276-L314 HydrophobicContact CB-CB 4.36Å; N276-L314 PolarHBondContact O-N 2.81Å; V278-L314 HydrophobicContact CB-CD1 4.48Å; V278-L314 HydrophobicContact CG1-CD1 3.59Å; V278-L314 HydrophobicContact CG1-CG 4.03Å; V278-L314 HydrophobicContact CG2-CD1 4.04Å; V278-L314 HydrophobicContact CG2-CD2 3.66Å; V278-L314 HydrophobicContact CG2-CG 3.64Å; Y280-L314 HydrophobicContact CE2-CD2 4.32Å; Y280-L314 WeakPolarHBondContact OH-CD2 3.22Å; L314-M316 HydrophobicContact CB-CB 4.41Å; L314-M316 PolarHBondContact O-N 2.81Å
315Q80Confident84Confident196 Ų19672 Ų7292%0.91639%0.385SS*.  trans-86.626.6171.6-62.4-173.6-16.200112.5
316M77.8Confident84.9Confident36 Ų3673.6 Ų73.618%0.17739%0.391CS..  trans-103.5137.5-175.1-175.517116900109.3A268 I272 L314 I321 P473A268-M316 HydrophobicContact CB-SD 4.45Å; I272-M316 HydrophobicContact CD1-CB 4.3Å; I272-M316 VanDerWaalsContact CD1-O 3.32Å; I272-M316 WeakPolarHBondContact CD1-O 3.03Å; I272-M316 HydrophobicContact CG1-CB 4.31Å; I272-M316 HydrophobicContact CG1-CG 4.35Å; I272-M316 WeakPolarHBondContact CG1-O 2.84Å; L314-M316 HydrophobicContact CB-CB 4.41Å; L314-M316 PolarHBondContact O-N 2.81Å; M316-I321 HydrophobicContact CE-CB 4.43Å; M316-I321 HydrophobicContact CE-CG2 3.07Å; M316-P473 HydrophobicContact CE-CB 4.03Å; M316-P473 HydrophobicContact CE-CG 3.55Å; M316-P473 HydrophobicContact CG-CG 4.02Å; M316-P473 HydrophobicContact SD-CG 4.01Å
317E80.5Confident85.8Confident115 Ų11577 Ų7754%0.53740%0.403SS..  trans-108.7144.5179.2-66.7179.5175.200110.7Q319 Q320E317-Q319 PolarHBondContact O-N 3.49Å; E317-Q319 VanDerWaalsContact O-N 3.16Å; E317-Q320 HydrophobicContact CB-CG 4.25Å; E317-Q320 WeakPolarHBondContact O-CB 3.42Å; E317-Q320 PolarHBondContact O-N 3.1Å
318M78.7Confident86.4Confident81 Ų8174.3 Ų74.340%0.39939%0.387SS..G310 helixtrans-55.2-36.8179.4-174.8-166.7-102.300112.2E273 Q320 I321 M322E273-M318 HydrophobicContact CB-CE 3.31Å; M318-Q320 PolarHBondContact O-N 3.14Å; M318-I321 WeakPolarHBondContact O-CG1 3.38Å; M318-I321 PolarHBondContact O-N 2.74Å; M318-I321 VanDerWaalsContact O-N 3.13Å; M318-M322 HydrophobicContact CG-CG 4.41Å; M318-M322 HydrophobicContact CG-SD 3.95Å; M318-M322 WeakPolarHBondContact O-CG 3.37Å; M318-M322 PolarHBondContact O-N 2.82Å; M318-M322 HydrophobicContact SD-SD 4Å
319Q81.9Confident86.8Confident147 Ų14774.2 Ų74.269%0.68738%0.384SS*.G310 helixtrans-60.2-29-179.9-66.8170.3-0.900112.7E317 I321 M322E317-Q319 PolarHBondContact O-N 3.49Å; E317-Q319 VanDerWaalsContact O-N 3.16Å; Q319-I321 VanDerWaalsContact C-N 3.27Å; Q319-I321 PolarHBondContact O-N 3.21Å; Q319-M322 PolarHBondContact O-N 3.27Å
320Q81.9Confident87.1Confident60 Ų6073.9 Ų73.928%0.2838%0.382SS..G310 helixtrans-68.8-26.7-179.3-63176.2-28.200112.6E317 M318 K332 P473E317-Q320 HydrophobicContact CB-CG 4.25Å; E317-Q320 WeakPolarHBondContact O-CB 3.42Å; E317-Q320 PolarHBondContact O-N 3.1Å; M318-Q320 PolarHBondContact O-N 3.14Å; Q320-K332 PolarHBondContact O-NZ 2.9Å; Q320-K332 VanDerWaalsContact O-NZ 3.15Å; Q320-P473 HydrophobicContact CB-CG 4.01Å
321I83.5Confident87.5Confident4 Ų473.4 Ų73.42%0.02137%0.373CS..G310 helixtrans-10310.5179.261.6167.1000114S269 I272 M316 M318 Q319 F329 P473 I475S269-I321 WeakPolarHBondContact O-CD1 3.33Å; I272-I321 HydrophobicContact CG2-CD1 3.47Å; I272-I321 VanDerWaalsContact CG2-CD1 3.47Å; I272-I321 HydrophobicContact CG2-CG1 4.46Å; M316-I321 HydrophobicContact CE-CB 4.43Å; M316-I321 HydrophobicContact CE-CG2 3.07Å; M318-I321 WeakPolarHBondContact O-CG1 3.38Å; M318-I321 PolarHBondContact O-N 2.74Å; M318-I321 VanDerWaalsContact O-N 3.13Å; Q319-I321 VanDerWaalsContact C-N 3.27Å; Q319-I321 PolarHBondContact O-N 3.21Å; I321-F329 WeakPolarHBondContact O-CE1 3.15Å; I321-F329 WeakPolarHBondContact O-CZ 3.37Å; I321-P473 HydrophobicContact CG2-CB 3.96Å; I321-P473 HydrophobicContact CG2-CG 4.16Å; I321-I475 HydrophobicContact CB-CD1 4.4Å; I321-I475 HydrophobicContact CG2-CD1 4.05Å
322M86.4Confident87.9Confident84 Ų8473.1 Ų73.141%0.41437%0.371SS..SBendtrans-106.3151.2174.2-68-174.370.800110.3M318 Q319 G324 K332M318-M322 HydrophobicContact CG-CG 4.41Å; M318-M322 HydrophobicContact CG-SD 3.95Å; M318-M322 WeakPolarHBondContact O-CG 3.37Å; M318-M322 PolarHBondContact O-N 2.82Å; M318-M322 HydrophobicContact SD-SD 4Å; Q319-M322 PolarHBondContact O-N 3.27Å; M322-G324 VanDerWaalsContact C-N 3.26Å; M322-G324 PolarHBondContact O-N 3.44Å; M322-K332 WeakPolarHBondContact O-CD 3.38Å; M322-K332 WeakPolarHBondContact O-CE 3.34Å
323K86.5Confident88.3Confident75 Ų7568.7 Ų68.733%0.32635%0.351SS..  trans-69.2-25.2175.6-63.9-174.2172.7-162.90112.9N325 F326 E327 F329 D674K323-N325 PolarHBondContact O-N 3.37Å; K323-F326 WeakPolarHBondContact O-CD2 3.05Å; K323-F326 PolarHBondContact O-N 2.75Å; K323-E327 PolarHBondContact NZ-O 3.12Å; K323-F329 HydrophobicContact CD-CD2 4.33Å; K323-F329 HydrophobicContact CD-CE2 4.26Å; K323-F329 VanDerWaalsContact CE-CD2 3.43Å; K323-F329 VanDerWaalsContact CE-CE2 3.49Å; K323-F329 HydrophobicContact CG-CD1 3.96Å; K323-F329 HydrophobicContact CG-CD2 3.93Å; K323-F329 HydrophobicContact CG-CE1 3.77Å; K323-F329 HydrophobicContact CG-CE2 3.75Å; K323-F329 HydrophobicContact CG-CG 4.04Å; K323-F329 HydrophobicContact CG-CZ 3.66Å; K323-D674 WeakPolarHBondContact CE-OD2 3.2Å; K323-D674 IonicContact NZ-OD2 2.92Å; K323-D674 PolarHBondContact NZ-OD2 2.7Å
324G89.1Confident88.7Confident62 Ų6264.5 Ų64.564%0.63933%0.325SS*.THydrogen-bonded Turntrans60.4-126.2-175.600000110.9M322 F326M322-G324 VanDerWaalsContact C-N 3.26Å; M322-G324 PolarHBondContact O-N 3.44Å; G324-F326 VanDerWaalsContact C-N 3.3Å; G324-F326 PolarHBondContact O-N 3.37Å
325N90.5Very high89.3Confident172 Ų17266 Ų6692%0.9233%0.331SS*.THydrogen-bonded Turntrans-87.16-179.2-62.9-22.1000113.8K323K323-N325 PolarHBondContact O-N 3.37Å
326F93.7Very high90.1Very high67 Ų6759.1 Ų59.129%0.29430%0.298SS..  trans-98.2152.7-179.5-61.8-82.3000111.6K323 G324 Q331 K332 F335K323-F326 WeakPolarHBondContact O-CD2 3.05Å; K323-F326 PolarHBondContact O-N 2.75Å; G324-F326 VanDerWaalsContact C-N 3.3Å; G324-F326 PolarHBondContact O-N 3.37Å; F326-Q331 HydrophobicContact CD1-CB 4.48Å; F326-Q331 HydrophobicContact CD1-CG 3.9Å; F326-K332 HydrophobicContact CB-CB 3.92Å; F326-K332 HydrophobicContact CD2-CB 3.49Å; F326-K332 VanDerWaalsContact CD2-CB 3.49Å; F326-K332 HydrophobicContact CD2-CD 4.35Å; F326-K332 HydrophobicContact CD2-CG 3.72Å; F326-K332 HydrophobicContact CE2-CB 4.12Å; F326-K332 HydrophobicContact CE2-CG 4.03Å; F326-K332 HydrophobicContact CG-CB 3.76Å; F326-K332 HydrophobicContact CG-CG 4.48Å; F326-F335 HydrophobicContact CE1-CB 3.72Å; F326-F335 HydrophobicContact CE1-CD1 4.41Å; F326-F335 HydrophobicContact CE1-CD2 4.24Å; F326-F335 AromaticContact CE1-CG 3.88Å; F326-F335 HydrophobicContact CE1-CG 3.88Å; F326-F335 HydrophobicContact CZ-CB 3.72Å; F326-F335 HydrophobicContact CZ-CG 4.34Å
327E91.3Very high91.1Very high155 Ų15557.4 Ų57.472%0.72429%0.29SS*.SBendtrans-78.3-29.7179.9-62.3-176.6170.100111.8K323K323-E327 PolarHBondContact NZ-O 3.12Å
328A94.1Very high92Very high6 Ų652.1 Ų52.15%0.0527%0.266CS..  trans-134.9151.8-177.300000112.4Q331 K332 F663 V673 D674A328-Q331 HydrophobicContact CB-CB 4.23Å; A328-Q331 PolarHBondContact O-N 3.39Å; A328-K332 PolarHBondContact O-N 3.06Å; A328-F663 HydrophobicContact CB-CE2 4.03Å; A328-V673 HydrophobicContact CB-CG2 3.35Å; A328-D674 WeakPolarHBondContact CA-OD2 3.49Å
329F94.6Very high92.9Very high33 Ų3352.7 Ų52.715%0.14527%0.268CS..Hα-helixtrans-63.9-42.8172.6-75.1-72000111.4I321 K323 Q331 K332 E333 I475 D674I321-F329 WeakPolarHBondContact O-CE1 3.15Å; I321-F329 WeakPolarHBondContact O-CZ 3.37Å; K323-F329 HydrophobicContact CD-CD2 4.33Å; K323-F329 HydrophobicContact CD-CE2 4.26Å; K323-F329 VanDerWaalsContact CE-CD2 3.43Å; K323-F329 VanDerWaalsContact CE-CE2 3.49Å; K323-F329 HydrophobicContact CG-CD1 3.96Å; K323-F329 HydrophobicContact CG-CD2 3.93Å; K323-F329 HydrophobicContact CG-CE1 3.77Å; K323-F329 HydrophobicContact CG-CE2 3.75Å; K323-F329 HydrophobicContact CG-CG 4.04Å; K323-F329 HydrophobicContact CG-CZ 3.66Å; F329-Q331 PolarHBondContact O-N 3.41Å; F329-K332 WeakPolarHBondContact O-CB 3.43Å; F329-K332 PolarHBondContact O-N 3.21Å; F329-K332 VanDerWaalsContact O-N 3.17Å; F329-E333 WeakPolarHBondContact O-CB 3.36Å; F329-E333 WeakPolarHBondContact O-CG 3.43Å; F329-E333 PolarHBondContact O-N 2.86Å; F329-I475 HydrophobicContact CB-CB 4.17Å; F329-I475 HydrophobicContact CB-CG2 4.36Å; F329-I475 HydrophobicContact CD1-CB 3.72Å; F329-I475 HydrophobicContact CD1-CG1 4.11Å; F329-I475 HydrophobicContact CD1-CG2 3.92Å; F329-I475 HydrophobicContact CD2-CB 4.19Å; F329-I475 HydrophobicContact CD2-CG2 3.55Å; F329-I475 HydrophobicContact CE1-CB 4.08Å; F329-I475 HydrophobicContact CE1-CG1 4.09Å; F329-I475 HydrophobicContact CE1-CG2 4.02Å; F329-I475 HydrophobicContact CE2-CG2 3.65Å; F329-I475 HydrophobicContact CG-CB 3.78Å; F329-I475 HydrophobicContact CG-CG2 3.69Å; F329-I475 HydrophobicContact CZ-CB 4.45Å; F329-I475 HydrophobicContact CZ-CG2 3.88Å; F329-D674 WeakPolarHBondContact CA-OD1 3.48Å; F329-D674 WeakPolarHBondContact CB-OD1 3.31Å; F329-D674 VanDerWaalsContact N-CG 3.31Å; F329-D674 PolarHBondContact N-OD1 2.76Å; F329-D674 PolarHBondContact N-OD2 3.39Å
330M96.2Very high93.6Very high0 Ų045.9 Ų45.90%024%0.236CC..Hα-helixtrans-56.3-42176.4-170.6-169.5-176.400111.5E333 I334 A478 T480 I567 F663 V673 D674M330-E333 PolarHBondContact O-N 3.41Å; M330-I334 HydrophobicContact CE-CD1 4.18Å; M330-I334 HydrophobicContact CG-CD1 4.13Å; M330-I334 WeakPolarHBondContact O-CD1 3.39Å; M330-I334 WeakPolarHBondContact O-CG1 3.34Å; M330-I334 PolarHBondContact O-N 2.91Å; M330-A478 HydrophobicContact CE-CB 4.22Å; M330-T480 HydrophobicContact CE-CG2 4.06Å; M330-T480 HydrophobicContact CG-CG2 4.22Å; M330-I567 HydrophobicContact CE-CD1 3.4Å; M330-I567 VanDerWaalsContact CE-CD1 3.4Å; M330-I567 HydrophobicContact SD-CD1 3.43Å; M330-I567 WeakPolarHBondContact SD-CD1 3.45Å; M330-I567 HydrophobicContact SD-CG2 4.48Å; M330-F663 HydrophobicContact SD-CB 4.42Å; M330-V673 HydrophobicContact CB-CG2 4.46Å; M330-V673 HydrophobicContact SD-CB 4.3Å; M330-D674 PolarHBondContact N-OD1 2.73Å
331Q97.5Very high94.4Very high30 Ų3043 Ų4314%0.1422%0.223CC..Hα-helixtrans-63.1-52.3176.3-169.3-172.828.700111F326 A328 F329 E333 I334 F335 F663F326-Q331 HydrophobicContact CD1-CB 4.48Å; F326-Q331 HydrophobicContact CD1-CG 3.9Å; A328-Q331 HydrophobicContact CB-CB 4.23Å; A328-Q331 PolarHBondContact O-N 3.39Å; F329-Q331 PolarHBondContact O-N 3.41Å; Q331-E333 VanDerWaalsContact C-N 3.26Å; Q331-E333 PolarHBondContact O-N 2.82Å; Q331-I334 PolarHBondContact O-N 3.34Å; Q331-F335 HydrophobicContact CG-CD2 4.11Å; Q331-F335 HydrophobicContact CG-CE2 4.12Å; Q331-F335 VanDerWaalsContact O-CD2 3.26Å; Q331-F335 WeakPolarHBondContact O-CD2 2.94Å; Q331-F335 PolarHBondContact O-N 3Å; Q331-F335 VanDerWaalsContact O-N 3.08Å; Q331-F663 HydrophobicContact CB-CD2 4.27Å; Q331-F663 HydrophobicContact CB-CE1 4.48Å; Q331-F663 HydrophobicContact CB-CE2 3.74Å; Q331-F663 HydrophobicContact CB-CZ 3.85Å; Q331-F663 HydrophobicContact CG-CE1 4.14Å; Q331-F663 HydrophobicContact CG-CE2 4.28Å; Q331-F663 HydrophobicContact CG-CZ 3.89Å
332K96.9Very high95.1Very high8 Ų845.5 Ų45.54%0.03524%0.238CC..Hα-helixtrans-50.3-50.1175.6173.3176.7177.7-77.80111.1Q320 M322 F326 A328 F329 I334 F335 E336Q320-K332 PolarHBondContact O-NZ 2.9Å; Q320-K332 VanDerWaalsContact O-NZ 3.15Å; M322-K332 WeakPolarHBondContact O-CD 3.38Å; M322-K332 WeakPolarHBondContact O-CE 3.34Å; F326-K332 HydrophobicContact CB-CB 3.92Å; F326-K332 HydrophobicContact CD2-CB 3.49Å; F326-K332 VanDerWaalsContact CD2-CB 3.49Å; F326-K332 HydrophobicContact CD2-CD 4.35Å; F326-K332 HydrophobicContact CD2-CG 3.72Å; F326-K332 HydrophobicContact CE2-CB 4.12Å; F326-K332 HydrophobicContact CE2-CG 4.03Å; F326-K332 HydrophobicContact CG-CB 3.76Å; F326-K332 HydrophobicContact CG-CG 4.48Å; A328-K332 PolarHBondContact O-N 3.06Å; F329-K332 WeakPolarHBondContact O-CB 3.43Å; F329-K332 PolarHBondContact O-N 3.21Å; F329-K332 VanDerWaalsContact O-N 3.17Å; K332-I334 PolarHBondContact O-N 3.46Å; K332-F335 CarbonylContact O-C 3.49Å; K332-F335 PolarHBondContact O-N 2.77Å; K332-F335 VanDerWaalsContact O-N 3.14Å; K332-E336 WeakPolarHBondContact CE-OE1 3.33Å; K332-E336 HydrophobicContact CG-CG 4.1Å; K332-E336 IonicContact NZ-OE1 2.79Å; K332-E336 PolarHBondContact NZ-OE1 3.16Å; K332-E336 IonicContact NZ-OE2 2.92Å; K332-E336 PolarHBondContact NZ-OE2 2.74Å; K332-E336 WeakPolarHBondContact O-CB 3.32Å; K332-E336 VanDerWaalsContact O-CG 3.27Å; K332-E336 WeakPolarHBondContact O-CG 3.38Å; K332-E336 PolarHBondContact O-N 2.86Å
333E97.6Very high95.6Very high1 Ų143.6 Ų43.61%0.00523%0.229CC..Hα-helixtrans-68.4-34.5-174.4-68.6162.4-17400112.9F329 M330 Q331 F335 E474 I475 G476 T480 K481F329-E333 WeakPolarHBondContact O-CB 3.36Å; F329-E333 WeakPolarHBondContact O-CG 3.43Å; F329-E333 PolarHBondContact O-N 2.86Å; M330-E333 PolarHBondContact O-N 3.41Å; Q331-E333 VanDerWaalsContact C-N 3.26Å; Q331-E333 PolarHBondContact O-N 2.82Å; E333-F335 VanDerWaalsContact C-N 3.35Å; E333-E474 WeakPolarHBondContact OE2-CG 3.36Å; E333-I475 WeakPolarHBondContact OE1-CA 3.31Å; E333-I475 PolarHBondContact OE1-N 3.43Å; E333-G476 PolarHBondContact OE1-N 3.16Å; E333-G476 PolarHBondContact OE2-N 3.46Å; E333-T480 WeakPolarHBondContact CB-OG1 3.44Å; E333-K481 HydrophobicContact CB-CD 4.16Å; E333-K481 HydrophobicContact CB-CG 4.32Å; E333-K481 HydrophobicContact CG-CD 4.21Å
334I98.4Very high96.2Very high0 Ų040 Ų400%021%0.214CC..Hα-helixtrans-62.3-45.5170.8-68.4163.9000110.3M330 Q331 K332 Q337 T480 L526 I656 Q659 L660 F663M330-I334 HydrophobicContact CE-CD1 4.18Å; M330-I334 HydrophobicContact CG-CD1 4.13Å; M330-I334 WeakPolarHBondContact O-CD1 3.39Å; M330-I334 WeakPolarHBondContact O-CG1 3.34Å; M330-I334 PolarHBondContact O-N 2.91Å; Q331-I334 PolarHBondContact O-N 3.34Å; K332-I334 PolarHBondContact O-N 3.46Å; I334-Q337 WeakPolarHBondContact O-CB 3.36Å; I334-Q337 WeakPolarHBondContact O-CG 3.16Å; I334-Q337 PolarHBondContact O-N 3.32Å; I334-Q337 PolarHBondContact O-NE2 3.26Å; I334-T480 HydrophobicContact CD1-CG2 4.37Å; I334-T480 HydrophobicContact CG1-CG2 3.72Å; I334-L526 HydrophobicContact CG2-CD2 3.78Å; I334-I656 HydrophobicContact CG2-CG2 4.37Å; I334-Q659 HydrophobicContact CD1-CB 3.92Å; I334-Q659 HydrophobicContact CG1-CB 4.08Å; I334-L660 HydrophobicContact CD1-CD2 4.38Å; I334-L660 HydrophobicContact CG2-CD2 3.57Å; I334-L660 HydrophobicContact CG2-CG 4.01Å; I334-F663 HydrophobicContact CD1-CB 4.37Å
335F98.3Very high96.6Very high55 Ų5537.6 Ų37.624%0.24119%0.186CC..Hα-helixtrans-76.9-19.8-176.7-81.4-101000113.6F326 Q331 K332 E333 Q337 P338 L526 D529 L660F326-F335 HydrophobicContact CE1-CB 3.72Å; F326-F335 HydrophobicContact CE1-CD1 4.41Å; F326-F335 HydrophobicContact CE1-CD2 4.24Å; F326-F335 AromaticContact CE1-CG 3.88Å; F326-F335 HydrophobicContact CE1-CG 3.88Å; F326-F335 HydrophobicContact CZ-CB 3.72Å; F326-F335 HydrophobicContact CZ-CG 4.34Å; Q331-F335 HydrophobicContact CG-CD2 4.11Å; Q331-F335 HydrophobicContact CG-CE2 4.12Å; Q331-F335 VanDerWaalsContact O-CD2 3.26Å; Q331-F335 WeakPolarHBondContact O-CD2 2.94Å; Q331-F335 PolarHBondContact O-N 3Å; Q331-F335 VanDerWaalsContact O-N 3.08Å; K332-F335 CarbonylContact O-C 3.49Å; K332-F335 PolarHBondContact O-N 2.77Å; K332-F335 VanDerWaalsContact O-N 3.14Å; E333-F335 VanDerWaalsContact C-N 3.35Å; F335-Q337 VanDerWaalsContact C-N 3.28Å; F335-P338 WeakPolarHBondContact O-CD 3.26Å; F335-L526 HydrophobicContact CD1-CB 4.41Å; F335-L526 HydrophobicContact CD1-CD1 4.32Å; F335-L526 HydrophobicContact CD1-CD2 4.38Å; F335-L526 HydrophobicContact CE1-CB 4.29Å; F335-L526 HydrophobicContact CG-CD2 4.37Å; F335-D529 HydrophobicContact CZ-CB 4.17Å; F335-L660 HydrophobicContact CD2-CD2 4.42Å; F335-L660 HydrophobicContact CE2-CD2 3.66Å; F335-L660 HydrophobicContact CZ-CD2 4.24Å
336E97.6Very high96.9Very high50 Ų5037.4 Ų37.423%0.23417%0.172CC..THydrogen-bonded Turntrans-81.81.9172.3-75.8-177.1153.400113.7K332 P338 E339 S340 K481K332-E336 WeakPolarHBondContact CE-OE1 3.33Å; K332-E336 HydrophobicContact CG-CG 4.1Å; K332-E336 IonicContact NZ-OE1 2.79Å; K332-E336 PolarHBondContact NZ-OE1 3.16Å; K332-E336 IonicContact NZ-OE2 2.92Å; K332-E336 PolarHBondContact NZ-OE2 2.74Å; K332-E336 WeakPolarHBondContact O-CB 3.32Å; K332-E336 VanDerWaalsContact O-CG 3.27Å; K332-E336 WeakPolarHBondContact O-CG 3.38Å; K332-E336 PolarHBondContact O-N 2.86Å; E336-P338 VanDerWaalsContact C-CD 3.41Å; E336-E339 WeakPolarHBondContact CA-OE2 3.41Å; E336-E339 PolarHBondContact O-N 2.84Å; E336-S340 WeakPolarHBondContact O-CB 3.39Å; E336-S340 PolarHBondContact O-N 3.31Å; E336-S340 PolarHBondContact O-OG 3.24Å; E336-K481 IonicContact OE2-NZ 3.67Å; E336-K481 PolarHBondContact OE2-NZ 2.83Å
337Q98.6Very high96.9Very high0 Ų038.1 Ų38.10%020%0.198CC..Hα-helixtrans-59.7-36.3178.7-75-177.29500114.9I334 F335 E339 S340 V341 K481 T484 I522I334-Q337 WeakPolarHBondContact O-CB 3.36Å; I334-Q337 WeakPolarHBondContact O-CG 3.16Å; I334-Q337 PolarHBondContact O-N 3.32Å; I334-Q337 PolarHBondContact O-NE2 3.26Å; F335-Q337 VanDerWaalsContact C-N 3.28Å; Q337-E339 PolarHBondContact O-N 2.98Å; Q337-S340 VanDerWaalsContact CA-OG 3.26Å; Q337-S340 WeakPolarHBondContact CA-OG 3.22Å; Q337-S340 PolarHBondContact O-OG 3.49Å; Q337-V341 VanDerWaalsContact O-CB 3.31Å; Q337-V341 WeakPolarHBondContact O-CB 3.21Å; Q337-V341 VanDerWaalsContact O-CG2 3.25Å; Q337-V341 WeakPolarHBondContact O-CG2 3.34Å; Q337-V341 PolarHBondContact O-N 3.04Å; Q337-K481 HydrophobicContact CG-CB 3.93Å; Q337-T484 PolarHBondContact OE1-OG1 3.19Å; Q337-I522 HydrophobicContact CB-CG2 4.04Å
338P98.6Very high97.2Very high4 Ų432.8 Ų32.83%0.02617%0.172CC..Hα-helixtrans-56.7-47.5171.8-22.432.5000112.5F335 E336 V342 P519 I522 K523 L526F335-P338 WeakPolarHBondContact O-CD 3.26Å; E336-P338 VanDerWaalsContact C-CD 3.41Å; P338-V342 WeakPolarHBondContact O-CG2 3.32Å; P338-V342 PolarHBondContact O-N 2.9Å; P338-P519 HydrophobicContact CB-CB 4.45Å; P338-I522 HydrophobicContact CG-CB 4.29Å; P338-I522 HydrophobicContact CG-CG2 3.73Å; P338-K523 HydrophobicContact CB-CG 3.96Å; P338-K523 HydrophobicContact CG-CG 3.64Å; P338-L526 HydrophobicContact CG-CD1 3.87Å
339E97.6Very high97.4Very high94 Ų9433.2 Ų33.244%0.43917%0.173SC..Hα-helixtrans-72.8-43.1-177.4-65.473.3-156.100112E336 Q337 V341 V342 N343E336-E339 WeakPolarHBondContact CA-OE2 3.41Å; E336-E339 PolarHBondContact O-N 2.84Å; Q337-E339 PolarHBondContact O-N 2.98Å; E339-V341 PolarHBondContact O-N 3.28Å; E339-V342 WeakPolarHBondContact O-CB 3.36Å; E339-V342 PolarHBondContact O-N 3.36Å; E339-N343 WeakPolarHBondContact O-CB 3.5Å; E339-N343 PolarHBondContact O-N 2.88Å; E339-N343 PolarHBondContact O-ND2 3.35Å
340S97.4Very high97.4Very high3 Ų334.1 Ų34.12%0.02118%0.183CC..Hα-helixtrans-66.3-36179.753.90000112.5E336 Q337 N343 T344E336-S340 WeakPolarHBondContact O-CB 3.39Å; E336-S340 PolarHBondContact O-N 3.31Å; E336-S340 PolarHBondContact O-OG 3.24Å; Q337-S340 VanDerWaalsContact CA-OG 3.26Å; Q337-S340 WeakPolarHBondContact CA-OG 3.22Å; Q337-S340 PolarHBondContact O-OG 3.49Å; S340-N343 PolarHBondContact O-N 3.2Å; S340-T344 WeakPolarHBondContact O-CB 3.47Å; S340-T344 PolarHBondContact O-N 3.47Å; S340-T344 PolarHBondContact O-OG1 3.37Å
341V98.1Very high97.2Very high0 Ų037.5 Ų37.50%020%0.196CC..Hα-helixtrans-63.9-42.7171166.20000111Q337 E339 N343 T344 M345 V488 L518 P519 I522Q337-V341 VanDerWaalsContact O-CB 3.31Å; Q337-V341 WeakPolarHBondContact O-CB 3.21Å; Q337-V341 VanDerWaalsContact O-CG2 3.25Å; Q337-V341 WeakPolarHBondContact O-CG2 3.34Å; Q337-V341 PolarHBondContact O-N 3.04Å; E339-V341 PolarHBondContact O-N 3.28Å; V341-N343 PolarHBondContact O-N 2.89Å; V341-T344 WeakPolarHBondContact O-CB 3.42Å; V341-T344 PolarHBondContact O-N 3.1Å; V341-M345 HydrophobicContact CG1-CE 3.75Å; V341-M345 HydrophobicContact CG1-SD 4.42Å; V341-M345 WeakPolarHBondContact O-CG 3.22Å; V341-M345 PolarHBondContact O-N 2.88Å; V341-M345 VanDerWaalsContact O-N 3.15Å; V341-V488 HydrophobicContact CG1-CG2 4.19Å; V341-V488 HydrophobicContact CG2-CG2 4.39Å; V341-L518 HydrophobicContact CG1-CD2 3.88Å; V341-L518 HydrophobicContact CG1-CG 4.27Å; V341-P519 HydrophobicContact CG1-CG 4.45Å; V341-I522 HydrophobicContact CB-CD1 4.32Å; V341-I522 HydrophobicContact CG2-CD1 3.85Å
342V98.2Very high96.9Very high56 Ų5643.8 Ų43.834%0.33923%0.231SC..Hα-helixtrans-60.2-45.7173.2170.30000111.3P338 E339 T344 M345 R346 P519P338-V342 WeakPolarHBondContact O-CG2 3.32Å; P338-V342 PolarHBondContact O-N 2.9Å; E339-V342 WeakPolarHBondContact O-CB 3.36Å; E339-V342 PolarHBondContact O-N 3.36Å; V342-T344 VanDerWaalsContact C-N 3.27Å; V342-T344 PolarHBondContact O-N 3.36Å; V342-M345 PolarHBondContact O-N 3.19Å; V342-M345 VanDerWaalsContact O-N 3.1Å; V342-R346 PolarHBondContact O-N 3.07Å; V342-P519 HydrophobicContact CG2-CB 3.83Å; V342-P519 HydrophobicContact CG2-CG 3.43Å; V342-P519 VanDerWaalsContact CG2-CG 3.43Å
343N97Very high96.8Very high45 Ų4546.5 Ų46.524%0.24125%0.251CS..Hα-helixtrans-64.6-32.7179.4-69.1-22000112.6E339 S340 V341 M345 R346 N470E339-N343 WeakPolarHBondContact O-CB 3.5Å; E339-N343 PolarHBondContact O-N 2.88Å; E339-N343 PolarHBondContact O-ND2 3.35Å; S340-N343 PolarHBondContact O-N 3.2Å; V341-N343 PolarHBondContact O-N 2.89Å; N343-M345 VanDerWaalsContact C-N 3.33Å; N343-R346 PolarHBondContact OD1-NE 3.25Å; N343-R346 PolarHBondContact OD1-NH2 3.14Å; N343-N470 WeakPolarHBondContact CB-O 3.44Å; N343-N470 PolarHBondContact O-ND2 2.85Å
344T98.2Very high96.6Very high0 Ų048.9 Ų48.90%026%0.264CS..Hα-helixtrans-64.7-37.2172.7-58.60000111.7S340 V341 V342 R348 I469 S485 V488 S489 M492S340-T344 WeakPolarHBondContact O-CB 3.47Å; S340-T344 PolarHBondContact O-N 3.47Å; S340-T344 PolarHBondContact O-OG1 3.37Å; V341-T344 WeakPolarHBondContact O-CB 3.42Å; V341-T344 PolarHBondContact O-N 3.1Å; V342-T344 VanDerWaalsContact C-N 3.27Å; V342-T344 PolarHBondContact O-N 3.36Å; T344-R348 WeakPolarHBondContact O-CD 3.46Å; T344-R348 PolarHBondContact O-NH1 2.75Å; T344-I469 VanDerWaalsContact CA-O 3.28Å; T344-I469 WeakPolarHBondContact CA-O 3.43Å; T344-I469 WeakPolarHBondContact CB-O 3.18Å; T344-I469 WeakPolarHBondContact CG2-O 3.48Å; T344-I469 PolarHBondContact OG1-O 2.63Å; T344-S485 VanDerWaalsContact OG1-CB 3.24Å; T344-S485 WeakPolarHBondContact OG1-CB 3.34Å; T344-S485 PolarHBondContact OG1-OG 3.48Å; T344-V488 HydrophobicContact CG2-CB 4.1Å; T344-V488 HydrophobicContact CG2-CG1 3.88Å; T344-S489 WeakPolarHBondContact CG2-OG 3.25Å; T344-M492 HydrophobicContact CG2-CE 3.91Å; T344-M492 WeakPolarHBondContact O-CE 3.48Å
345M98.2Very high96.4Very high10 Ų1051 Ų515%0.04928%0.277CS..Hα-helixtrans-88.1-17.4-179.1-62.9-178-62.100113.7V341 V342 N343 G347 R348 I349 V488 M492 L515 P519V341-M345 HydrophobicContact CG1-CE 3.75Å; V341-M345 HydrophobicContact CG1-SD 4.42Å; V341-M345 WeakPolarHBondContact O-CG 3.22Å; V341-M345 PolarHBondContact O-N 2.88Å; V341-M345 VanDerWaalsContact O-N 3.15Å; V342-M345 PolarHBondContact O-N 3.19Å; V342-M345 VanDerWaalsContact O-N 3.1Å; N343-M345 VanDerWaalsContact C-N 3.33Å; M345-G347 PolarHBondContact O-N 3.41Å; M345-R348 PolarHBondContact O-N 2.88Å; M345-I349 HydrophobicContact CB-CD1 3.93Å; M345-I349 HydrophobicContact CB-CG1 4.29Å; M345-I349 HydrophobicContact CG-CD1 3.75Å; M345-I349 PolarHBondContact O-N 2.85Å; M345-I349 HydrophobicContact SD-CD1 3.78Å; M345-V488 HydrophobicContact CG-CG1 3.71Å; M345-V488 HydrophobicContact SD-CG1 4.27Å; M345-M492 HydrophobicContact CG-SD 4.35Å; M345-L515 HydrophobicContact SD-CB 3.85Å; M345-L515 HydrophobicContact SD-CD2 4.08Å; M345-L515 HydrophobicContact SD-CG 4.45Å; M345-P519 HydrophobicContact CE-CG 4.14Å
346R96.5Very high96.3Very high168 Ų16848.4 Ų48.463%0.63427%0.265SS*.THydrogen-bonded Turntrans-56.5124.9-172.9-170.8-177.7-63.1-133.15111.3V342 N343 R348V342-R346 PolarHBondContact O-N 3.07Å; N343-R346 PolarHBondContact OD1-NE 3.25Å; N343-R346 PolarHBondContact OD1-NH2 3.14Å; R346-R348 PolarHBondContact O-N 3.46Å
347G95Very high96.3Very high82 Ų8249.6 Ų49.685%0.84528%0.276SS*.THydrogen-bonded Turntrans70.83-179.600000115.1M345M345-G347 PolarHBondContact O-N 3.41Å
348R97.4Very high96.2Very high43 Ų4349.7 Ų49.716%0.16228%0.276CS..THydrogen-bonded Turntrans-111.4-24.1-178.4-62.7167.4-166.5174.8-6.5113.2T344 M345 R346 V356 V357 L358 H468 M492T344-R348 WeakPolarHBondContact O-CD 3.46Å; T344-R348 PolarHBondContact O-NH1 2.75Å; M345-R348 PolarHBondContact O-N 2.88Å; R346-R348 PolarHBondContact O-N 3.46Å; R348-V356 CarbonylContact O-C 3.54Å; R348-V356 VanDerWaalsContact O-CA 3.29Å; R348-V356 WeakPolarHBondContact O-CA 3.14Å; R348-V357 WeakPolarHBondContact CA-O 3.38Å; R348-V357 WeakPolarHBondContact CB-O 3.15Å; R348-V357 PolarHBondContact O-N 3.33Å; R348-L358 HydrophobicContact CB-CD2 4.4Å; R348-L358 HydrophobicContact CG-CD2 4.27Å; R348-H468 VanDerWaalsContact CZ-O 3.3Å; R348-H468 PolarHBondContact NH1-O 2.88Å; R348-H468 VanDerWaalsContact NH1-O 3.11Å; R348-H468 PolarHBondContact NH2-O 2.66Å; R348-M492 HydrophobicContact CB-SD 3.91Å
349I96.9Very high96Very high15 Ų1552 Ų528%0.07730%0.301CS..EExtended strand (participates in β ladder)trans-114.8120.7175-52.3-177.7000108.7M345 Y351 V356 M492 I512 L515M345-I349 HydrophobicContact CB-CD1 3.93Å; M345-I349 HydrophobicContact CB-CG1 4.29Å; M345-I349 HydrophobicContact CG-CD1 3.75Å; M345-I349 PolarHBondContact O-N 2.85Å; M345-I349 HydrophobicContact SD-CD1 3.78Å; I349-Y351 HydrophobicContact CB-CE1 4.41Å; I349-Y351 HydrophobicContact CG2-CD1 3.84Å; I349-Y351 HydrophobicContact CG2-CE1 3.58Å; I349-Y351 HydrophobicContact CG2-CE2 4.36Å; I349-Y351 HydrophobicContact CG2-CG 4.33Å; I349-V356 HydrophobicContact CG1-CG2 4.29Å; I349-V356 HydrophobicContact CG2-CG2 4.42Å; I349-M492 HydrophobicContact CD1-CG 4.15Å; I349-M492 HydrophobicContact CD1-SD 3.93Å; I349-M492 HydrophobicContact CG1-CG 4.35Å; I349-M492 HydrophobicContact CG1-SD 3.8Å; I349-I512 HydrophobicContact CG2-CG2 4.15Å; I349-L515 HydrophobicContact CD1-CB 4.32Å; I349-L515 HydrophobicContact CD1-CD1 3.79Å
350C95.2Very high95.9Very high52 Ų5249.8 Ų49.835%0.35130%0.303SS..EExtended strand (participates in β ladder)trans-98.1100.5170-177.50000108.8D352 S353 N354 T355C350-D352 PolarHBondContact O-N 3.05Å; C350-S353 WeakPolarHBondContact CB-OG 3.37Å; C350-S353 PolarHBondContact O-N 3.46Å; C350-S353 PolarHBondContact SG-OG 3.35Å; C350-N354 VanDerWaalsContact O-CA 3.26Å; C350-N354 WeakPolarHBondContact O-CA 3.26Å; C350-N354 PolarHBondContact O-N 3.35Å; C350-T355 WeakPolarHBondContact CB-OG1 3.33Å; C350-T355 PolarHBondContact N-O 2.92Å; C350-T355 PolarHBondContact O-N 3.47Å
351Y92.3Very high95.8Very high72 Ų7249.7 Ų49.728%0.28230%0.302SS..THydrogen-bonded Turntrans-67.5-21.2-177.4-63.4-70.6000114I349 N354 I512 K516I349-Y351 HydrophobicContact CB-CE1 4.41Å; I349-Y351 HydrophobicContact CG2-CD1 3.84Å; I349-Y351 HydrophobicContact CG2-CE1 3.58Å; I349-Y351 HydrophobicContact CG2-CE2 4.36Å; I349-Y351 HydrophobicContact CG2-CG 4.33Å; Y351-N354 PolarHBondContact O-OD1 2.96Å; Y351-I512 HydrophobicContact CD1-CG2 3.99Å; Y351-I512 HydrophobicContact CE1-CG2 4.24Å; Y351-K516 HydrophobicContact CD1-CB 3.96Å; Y351-K516 HydrophobicContact CD1-CD 3.99Å; Y351-K516 HydrophobicContact CD1-CG 4Å; Y351-K516 HydrophobicContact CE1-CB 3.5Å; Y351-K516 HydrophobicContact CE1-CD 4.34Å; Y351-K516 HydrophobicContact CE1-CG 3.84Å; Y351-K516 HydrophobicContact CG-CD 4.31Å; Y351-K516 HydrophobicContact CG-CG 4.46Å
352D91.6Very high95.6Very high161 Ų16156.7 Ų56.786%0.86133%0.333SS*.THydrogen-bonded Turntrans-75.4-37.7178.4-60.2-31.9000111.8C350C350-D352 PolarHBondContact O-N 3.05Å
353S93.4Very high95.4Very high65 Ų6560.9 Ų60.946%0.45535%0.353SS..THydrogen-bonded Turntrans-100-6.5178.6610000113.6C350 T355C350-S353 WeakPolarHBondContact CB-OG 3.37Å; C350-S353 PolarHBondContact O-N 3.46Å; C350-S353 PolarHBondContact SG-OG 3.35Å; S353-T355 PolarHBondContact O-N 3.19Å; S353-T355 WeakPolarHBondContact OG-CG2 3.5Å; S353-T355 PolarHBondContact OG-OG1 2.96Å
354N93.4Very high95.4Very high52 Ų5261.3 Ų61.328%0.27835%0.354SS..THydrogen-bonded Turntrans52.535.5-171-57.3-62.6000113.2C350 Y351 L509 I512C350-N354 VanDerWaalsContact O-CA 3.26Å; C350-N354 WeakPolarHBondContact O-CA 3.26Å; C350-N354 PolarHBondContact O-N 3.35Å; Y351-N354 PolarHBondContact O-OD1 2.96Å; N354-L509 HydrophobicContact CB-CD1 4.28Å; N354-I512 HydrophobicContact CB-CD1 4.06Å; N354-I512 VanDerWaalsContact O-CD1 3.25Å; N354-I512 WeakPolarHBondContact O-CD1 3.24Å
355T94.9Very high95.2Very high45 Ų4562.6 Ų62.628%0.27636%0.361SS..EExtended strand (participates in β ladder)trans-99.3146.6177.357.50000110.9C350 S353C350-T355 WeakPolarHBondContact CB-OG1 3.33Å; C350-T355 PolarHBondContact N-O 2.92Å; C350-T355 PolarHBondContact O-N 3.47Å; S353-T355 PolarHBondContact O-N 3.19Å; S353-T355 WeakPolarHBondContact OG-CG2 3.5Å; S353-T355 PolarHBondContact OG-OG1 2.96Å
356V97.1Very high94.9Very high0 Ų070 Ų700%039%0.392CS..EExtended strand (participates in β ladder)trans-124.7122.4177.8-178.90000108.7R348 I349 M492 L495 I512R348-V356 CarbonylContact O-C 3.54Å; R348-V356 VanDerWaalsContact O-CA 3.29Å; R348-V356 WeakPolarHBondContact O-CA 3.14Å; I349-V356 HydrophobicContact CG1-CG2 4.29Å; I349-V356 HydrophobicContact CG2-CG2 4.42Å; V356-M492 HydrophobicContact CG1-CB 3.73Å; V356-M492 HydrophobicContact CG1-CG 3.99Å; V356-M492 HydrophobicContact CG1-SD 4.49Å; V356-L495 HydrophobicContact CB-CB 4.23Å; V356-L495 HydrophobicContact CG1-CB 4.46Å; V356-L495 HydrophobicContact CG2-CB 4Å; V356-L495 HydrophobicContact CG2-CD1 3.97Å; V356-I512 HydrophobicContact CG2-CD1 4.12Å; V356-I512 HydrophobicContact CG2-CG1 4.27Å
357V95.9Very high94.8Very high74 Ų7467.5 Ų67.545%0.44839%0.388SS..  trans-129.4117.8-177.8-177.70000109.6R348R348-V357 WeakPolarHBondContact CA-O 3.38Å; R348-V357 WeakPolarHBondContact CB-O 3.15Å; R348-V357 PolarHBondContact O-N 3.33Å
358L97Very high94.9Very high3 Ų363.6 Ų63.62%0.01635%0.348CS..  trans-97.795.6169.5-64.3175000108.2R348 G360 L361 K362 V467 M492 F493 M496R348-L358 HydrophobicContact CB-CD2 4.4Å; R348-L358 HydrophobicContact CG-CD2 4.27Å; L358-G360 PolarHBondContact O-N 3.22Å; L358-G360 VanDerWaalsContact O-N 3.14Å; L358-L361 HydrophobicContact CB-CB 4.33Å; L358-L361 HydrophobicContact CB-CD1 4.03Å; L358-L361 HydrophobicContact CB-CG 4.11Å; L358-L361 HydrophobicContact CD1-CD1 3.79Å; L358-L361 PolarHBondContact O-N 2.88Å; L358-K362 PolarHBondContact O-N 3.02Å; L358-V467 HydrophobicContact CB-CG2 4.28Å; L358-V467 HydrophobicContact CD1-CG2 4.08Å; L358-V467 HydrophobicContact CD2-CG1 4.17Å; L358-V467 HydrophobicContact CD2-CG2 4.46Å; L358-M492 HydrophobicContact CD1-CB 4.23Å; L358-M492 HydrophobicContact CD2-CB 4.07Å; L358-M492 HydrophobicContact CD2-CE 3.97Å; L358-M492 HydrophobicContact CD2-SD 4.34Å; L358-M492 HydrophobicContact CG-CB 4.37Å; L358-F493 HydrophobicContact CD1-CB 3.89Å; L358-M496 HydrophobicContact CB-CE 4.37Å; L358-M496 HydrophobicContact CB-SD 4.08Å; L358-M496 HydrophobicContact CD1-CE 4.36Å; L358-M496 HydrophobicContact CG-SD 4.5Å
359G94.7Very high94.8Very high53 Ų5365.2 Ų65.255%0.54636%0.356SS..G310 helixtrans-51.6-40.8-171.800000114L361 K362G359-L361 PolarHBondContact O-N 3.13Å; G359-K362 WeakPolarHBondContact O-CB 3.45Å; G359-K362 PolarHBondContact O-N 2.81Å
360G94.9Very high94.7Very high47 Ų4774.3 Ų74.349%0.48539%0.389SS..G310 helixtrans-67.9-12.4178.500000115.2L358 C465 G466L358-G360 PolarHBondContact O-N 3.22Å; L358-G360 VanDerWaalsContact O-N 3.14Å; G360-C465 WeakPolarHBondContact O-CB 3.46Å; G360-G466 CarbonylContact C-O 3.59Å; G360-G466 WeakPolarHBondContact CA-O 3.26Å
361L96.5Very high94.8Very high0 Ų072.4 Ų72.40%038%0.376CS..G310 helixtrans-104.5-6.9176.2-54.6-175.7000113L358 G359 D363 H364 L365 V449 C465 V467 F493 M496L358-L361 HydrophobicContact CB-CB 4.33Å; L358-L361 HydrophobicContact CB-CD1 4.03Å; L358-L361 HydrophobicContact CB-CG 4.11Å; L358-L361 HydrophobicContact CD1-CD1 3.79Å; L358-L361 PolarHBondContact O-N 2.88Å; G359-L361 PolarHBondContact O-N 3.13Å; L361-D363 VanDerWaalsContact C-N 3.32Å; L361-D363 PolarHBondContact O-N 2.94Å; L361-H364 CarbonylContact O-C 3.54Å; L361-H364 PolarHBondContact O-N 3.49Å; L361-H364 VanDerWaalsContact O-N 3.11Å; L361-L365 PolarHBondContact O-N 3.34Å; L361-V449 HydrophobicContact CD2-CG1 3.63Å; L361-C465 HydrophobicContact CD2-CB 4.15Å; L361-V467 HydrophobicContact CD1-CG2 3.82Å; L361-V467 HydrophobicContact CD2-CG2 4.1Å; L361-V467 HydrophobicContact CG-CG2 3.8Å; L361-F493 HydrophobicContact CD1-CD2 3.81Å; L361-F493 HydrophobicContact CD1-CE2 4.47Å; L361-M496 HydrophobicContact CB-CE 3.91Å; L361-M496 HydrophobicContact CD1-CE 3.73Å; L361-M496 HydrophobicContact CG-CE 4.46Å
362K92.5Very high95Very high147 Ų14777.8 Ų77.864%0.63940%0.396SS*.THydrogen-bonded Turntrans-56.1-44.6-168.8-176.3-176.8176-173.20112.8L358 G359 H364L358-K362 PolarHBondContact O-N 3.02Å; G359-K362 WeakPolarHBondContact O-CB 3.45Å; G359-K362 PolarHBondContact O-N 2.81Å; K362-H364 VanDerWaalsContact C-N 3.3Å; K362-H364 PolarHBondContact O-N 3.23Å
363D94.4Very high95.4Very high144 Ų14472.3 Ų72.377%0.7736%0.363SS*.THydrogen-bonded Turntrans-75.2-22.9-175.8-60.2-33000112.5L361L361-D363 VanDerWaalsContact C-N 3.32Å; L361-D363 PolarHBondContact O-N 2.94Å
364H96.4Very high95.6Very high54 Ų5469.2 Ų69.225%0.2534%0.342CS..THydrogen-bonded Turntrans-102.1-8.7-177.8-63.988.8000113.4L361 K362 K366 E367 I368 L447 D464 C465L361-H364 CarbonylContact O-C 3.54Å; L361-H364 PolarHBondContact O-N 3.49Å; L361-H364 VanDerWaalsContact O-N 3.11Å; K362-H364 VanDerWaalsContact C-N 3.3Å; K362-H364 PolarHBondContact O-N 3.23Å; H364-K366 PolarHBondContact O-N 3.32Å; H364-K366 VanDerWaalsContact O-N 3.14Å; H364-E367 WeakPolarHBondContact O-CB 3.49Å; H364-E367 PolarHBondContact O-N 3.26Å; H364-I368 HydrophobicContact CB-CD1 4.25Å; H364-I368 WeakPolarHBondContact O-CG1 3.4Å; H364-I368 PolarHBondContact O-N 2.74Å; H364-L447 HydrophobicContact CB-CD1 4.44Å; H364-D464 PolarHBondContact CE1-O 3.13Å; H364-C465 HydrophobicContact CB-CB 4.23Å; H364-C465 WeakPolarHBondContact ND1-CB 3.38Å
365L94.1Very high95.9Very high28 Ų2866.8 Ų66.815%0.14733%0.329CS..Hα-helixtrans-56.7-36.7-174.1-176.756.3000113.4L361 E367 I368 K369 M496 M497L361-L365 PolarHBondContact O-N 3.34Å; L365-E367 VanDerWaalsContact C-N 3.31Å; L365-E367 PolarHBondContact O-N 2.75Å; L365-I368 PolarHBondContact O-N 3.1Å; L365-K369 HydrophobicContact CD1-CG 4.36Å; L365-K369 HydrophobicContact CG-CD 4.43Å; L365-K369 WeakPolarHBondContact O-CB 3.41Å; L365-K369 WeakPolarHBondContact O-CG 3.39Å; L365-K369 PolarHBondContact O-N 2.67Å; L365-M496 HydrophobicContact CD1-CE 3.44Å; L365-M496 VanDerWaalsContact CD1-CE 3.44Å; L365-M496 HydrophobicContact CD1-CG 4.22Å; L365-M496 HydrophobicContact CD1-SD 4.16Å; L365-M496 HydrophobicContact CD2-CE 4.28Å; L365-M496 HydrophobicContact CD2-CG 3.81Å; L365-M496 HydrophobicContact CD2-SD 3.88Å; L365-M496 HydrophobicContact CG-CE 4.37Å; L365-M497 HydrophobicContact CD1-SD 3.79Å
366K93.3Very high96.1Very high165 Ų16564.6 Ų64.672%0.71732%0.315SS*.Hα-helixtrans-66.5-34.8178.3-70.5-178.6-179.2174.50112.4H364 R370H364-K366 PolarHBondContact O-N 3.32Å; H364-K366 VanDerWaalsContact O-N 3.14Å; K366-R370 WeakPolarHBondContact O-CG 3.45Å
367E94.6Very high96.2Very high116 Ų11664.6 Ų64.654%0.54232%0.315SS..Hα-helixtrans-75.5-44177.2-171.3168.9-167.100110.5H364 L365 K369 R370 C371 L447H364-E367 WeakPolarHBondContact O-CB 3.49Å; H364-E367 PolarHBondContact O-N 3.26Å; L365-E367 VanDerWaalsContact C-N 3.31Å; L365-E367 PolarHBondContact O-N 2.75Å; E367-K369 VanDerWaalsContact C-N 3.3Å; E367-K369 PolarHBondContact O-N 3.19Å; E367-R370 WeakPolarHBondContact O-CB 3.46Å; E367-R370 PolarHBondContact O-N 2.82Å; E367-C371 PolarHBondContact O-N 3.41Å; E367-L447 HydrophobicContact CB-CD1 3.92Å; E367-L447 HydrophobicContact CG-CD1 3.62Å
368I96.4Very high96.3Very high0 Ų061.1 Ų61.10%029%0.294CS..Hα-helixtrans-57.3-43173.9-62.6167.4000111H364 L365 R370 C371 V421 L447 V449 F493 M497H364-I368 HydrophobicContact CB-CD1 4.25Å; H364-I368 WeakPolarHBondContact O-CG1 3.4Å; H364-I368 PolarHBondContact O-N 2.74Å; L365-I368 PolarHBondContact O-N 3.1Å; I368-R370 PolarHBondContact O-N 3.15Å; I368-R370 VanDerWaalsContact O-N 3.13Å; I368-C371 WeakPolarHBondContact O-CB 3.17Å; I368-C371 PolarHBondContact O-N 3.37Å; I368-C371 VanDerWaalsContact O-N 3.16Å; I368-C371 PolarHBondContact O-SG 2.88Å; I368-V421 HydrophobicContact CB-CG2 4.41Å; I368-V421 HydrophobicContact CG1-CG1 4.43Å; I368-V421 HydrophobicContact CG1-CG2 4.28Å; I368-V421 HydrophobicContact CG2-CG1 4.39Å; I368-V421 HydrophobicContact CG2-CG2 4.23Å; I368-L447 HydrophobicContact CD1-CD2 4.23Å; I368-L447 HydrophobicContact CG1-CD1 4.13Å; I368-L447 HydrophobicContact CG1-CD2 3.79Å; I368-V449 HydrophobicContact CD1-CG2 4.35Å; I368-F493 HydrophobicContact CG2-CE2 3.93Å; I368-F493 HydrophobicContact CG2-CZ 3.93Å; I368-M497 HydrophobicContact CG2-CE 4Å; I368-M497 HydrophobicContact CG2-SD 3.82Å
369K94.8Very high96.3Very high76 Ų7662.5 Ų62.533%0.3330%0.304SS..THydrogen-bonded Turntrans-62.8-16.2176.1-79-178.1174.2179.50114.5L365 E367 M497 D500L365-K369 HydrophobicContact CD1-CG 4.36Å; L365-K369 HydrophobicContact CG-CD 4.43Å; L365-K369 WeakPolarHBondContact O-CB 3.41Å; L365-K369 WeakPolarHBondContact O-CG 3.39Å; L365-K369 PolarHBondContact O-N 2.67Å; E367-K369 VanDerWaalsContact C-N 3.3Å; E367-K369 PolarHBondContact O-N 3.19Å; K369-M497 HydrophobicContact CB-CE 4.46Å; K369-M497 HydrophobicContact CG-CE 3.84Å; K369-M497 HydrophobicContact CG-SD 3.86Å; K369-D500 IonicContact NZ-OD2 3.02Å; K369-D500 PolarHBondContact NZ-OD2 2.88Å
370R96Very high96.3Very high206 Ų20661.5 Ų61.578%0.77729%0.294SS*.THydrogen-bonded Turntrans-96.6-9.3178.5-68.5170.6178.8-178.7-0.7113.4K366 E367 I368K366-R370 WeakPolarHBondContact O-CG 3.45Å; E367-R370 WeakPolarHBondContact O-CB 3.46Å; E367-R370 PolarHBondContact O-N 2.82Å; I368-R370 PolarHBondContact O-N 3.15Å; I368-R370 VanDerWaalsContact O-N 3.13Å
371C96.8Very high96.5Very high12 Ų1259.8 Ų59.88%0.08127%0.274CS..  trans-66.1163.1179.282.60000111.4E367 I368 L399 D419 V421E367-C371 PolarHBondContact O-N 3.41Å; I368-C371 WeakPolarHBondContact O-CB 3.17Å; I368-C371 PolarHBondContact O-N 3.37Å; I368-C371 VanDerWaalsContact O-N 3.16Å; I368-C371 PolarHBondContact O-SG 2.88Å; C371-L399 VanDerWaalsContact SG-CD1 3.51Å; C371-D419 WeakPolarHBondContact CA-O 3.47Å; C371-D419 VanDerWaalsContact CB-O 3.25Å; C371-D419 WeakPolarHBondContact CB-O 3.37Å; C371-V421 HydrophobicContact CB-CB 4.34Å; C371-V421 HydrophobicContact CB-CG2 3.38Å; C371-V421 VanDerWaalsContact SG-CG2 3.56Å
372R97.4Very high96.6Very high185 Ų18560.4 Ų60.470%0.69828%0.278SS*.SBendtrans-108.4-12-178.7-64.2-163.5-178.5169.9-3.5114P400 D419R372-P400 VanDerWaalsContact O-CD 3.25Å; R372-P400 WeakPolarHBondContact O-CD 3.47Å; R372-D419 WeakPolarHBondContact CD-OD2 3.29Å; R372-D419 HydrophobicContact CG-CB 4.5Å; R372-D419 WeakPolarHBondContact CG-OD2 3.46Å; R372-D419 PolarHBondContact N-O 2.97Å; R372-D419 IonicContact NE-OD2 3.61Å
373R98.4Very high96.9Very high47 Ų4755 Ų5518%0.17726%0.255CS..EExtended strand (participates in β ladder)trans-159.4142.1-174.9175.4170.268.9159.86.7110.6I375 P400 M402 P415 D420 V421R373-I375 HydrophobicContact CG-CG1 4.18Å; R373-P400 HydrophobicContact CG-CB 4.32Å; R373-M402 PolarHBondContact NH1-SD 3.45Å; R373-P415 PolarHBondContact NH2-O 3.16Å; R373-D420 WeakPolarHBondContact CB-OD1 3.22Å; R373-D420 IonicContact CZ-OD1 2.72Å; R373-D420 IonicContact CZ-OD2 3.11Å; R373-D420 IonicContact NE-OD1 3.27Å; R373-D420 PolarHBondContact NE-OD1 2.77Å; R373-D420 IonicContact NE-OD2 3.86Å; R373-D420 IonicContact NH2-OD1 3.89Å; R373-D420 PolarHBondContact NH2-OD1 3.13Å; R373-D420 IonicContact NH2-OD2 3.76Å; R373-D420 PolarHBondContact NH2-OD2 2.96Å; R373-V421 PolarHBondContact O-N 2.85Å
374L98.8Very high97.1Very high0 Ų049.2 Ų49.20%022%0.223CC..EExtended strand (participates in β ladder)trans-103.3132.8170.9-53.5-175.2000109M376 T397 L399 P400 V401 M402 V421 F423 F493L374-M376 HydrophobicContact CB-SD 4.42Å; L374-T397 HydrophobicContact CD1-CG2 4.15Å; L374-L399 HydrophobicContact CD1-CD1 4.49Å; L374-L399 HydrophobicContact CD2-CD1 3.96Å; L374-L399 HydrophobicContact CG-CB 4.35Å; L374-L399 HydrophobicContact CG-CD1 4.01Å; L374-P400 PolarHBondContact N-O 3Å; L374-V401 HydrophobicContact CB-CG1 4.4Å; L374-V401 HydrophobicContact CB-CG2 4.26Å; L374-V401 HydrophobicContact CD1-CG2 4.17Å; L374-V401 WeakPolarHBondContact O-CA 3.17Å; L374-M402 PolarHBondContact O-N 2.83Å; L374-V421 WeakPolarHBondContact CA-O 3.38Å; L374-V421 HydrophobicContact CD2-CB 3.89Å; L374-V421 HydrophobicContact CD2-CG1 4.3Å; L374-F423 HydrophobicContact CD2-CE2 4.2Å; L374-F493 HydrophobicContact CD1-CE1 3.88Å; L374-F493 HydrophobicContact CD1-CZ 4.38Å
375I98.8Very high97.2Very high0 Ų046.6 Ų46.60%021%0.211CC..EExtended strand (participates in β ladder)trans-120.2113.9174.6-50180000108R373 I377 M402 E404 F409 V416 D420 V421 C422 F423R373-I375 HydrophobicContact CG-CG1 4.18Å; I375-I377 HydrophobicContact CG2-CD1 4.02Å; I375-I377 HydrophobicContact CG2-CG1 3.85Å; I375-M402 HydrophobicContact CG2-CB 4.38Å; I375-E404 HydrophobicContact CG2-CG 4.28Å; I375-F409 HydrophobicContact CG2-CE2 4.2Å; I375-V416 HydrophobicContact CD1-CG2 4.46Å; I375-D420 HydrophobicContact CD1-CB 4.14Å; I375-V421 PolarHBondContact N-O 3.4Å; I375-C422 CarbonylContact O-C 3.57Å; I375-C422 WeakPolarHBondContact O-CA 3.35Å; I375-F423 PolarHBondContact O-N 2.99Å
376M98.8Very high97.4Very high0 Ų045.3 Ų45.30%020%0.204CC..EExtended strand (participates in β ladder)trans-98.8116-178.8-43.7-60-67.300109.2L374 A386 L393 V401 M402 V403 E404 F423 I425 L490L374-M376 HydrophobicContact CB-SD 4.42Å; M376-A386 HydrophobicContact CB-CB 3.66Å; M376-A386 HydrophobicContact CG-CB 4.35Å; M376-L393 HydrophobicContact CE-CD1 3.99Å; M376-L393 HydrophobicContact SD-CD1 4.22Å; M376-V401 HydrophobicContact CG-CG1 3.75Å; M376-V401 HydrophobicContact SD-CG1 4.39Å; M376-M402 WeakPolarHBondContact CG-O 3.44Å; M376-M402 PolarHBondContact N-O 2.84Å; M376-V403 HydrophobicContact CB-CG1 4.44Å; M376-V403 HydrophobicContact CB-CG2 4.17Å; M376-V403 HydrophobicContact CG-CG2 4.18Å; M376-V403 CarbonylContact O-C 3.57Å; M376-V403 WeakPolarHBondContact O-CA 3.48Å; M376-E404 PolarHBondContact O-N 2.89Å; M376-F423 HydrophobicContact CE-CB 3.55Å; M376-F423 HydrophobicContact CE-CD1 3.99Å; M376-F423 HydrophobicContact CE-CD2 4.05Å; M376-F423 HydrophobicContact CE-CG 3.59Å; M376-F423 HydrophobicContact SD-CB 3.7Å; M376-F423 HydrophobicContact SD-CD2 3.58Å; M376-F423 VanDerWaalsContact SD-CD2 3.58Å; M376-F423 HydrophobicContact SD-CE2 4.39Å; M376-F423 HydrophobicContact SD-CG 3.71Å; M376-I425 HydrophobicContact CB-CD1 4.49Å; M376-I425 HydrophobicContact CE-CD1 4.07Å; M376-L490 HydrophobicContact CE-CD1 4.16Å; M376-L490 HydrophobicContact CE-CD2 3.43Å; M376-L490 VanDerWaalsContact CE-CD2 3.43Å; M376-L490 HydrophobicContact CE-CG 4.43Å
377I98.8Very high97.7Very high0 Ų039 Ų390%018%0.179CC..EExtended strand (participates in β ladder)trans-119.6128.9-172.7-55.9170.5000109I375 E404 A406 F409 F423 F424 I425 A437I375-I377 HydrophobicContact CG2-CD1 4.02Å; I375-I377 HydrophobicContact CG2-CG1 3.85Å; I377-E404 HydrophobicContact CG1-CB 4.48Å; I377-A406 HydrophobicContact CG2-CB 3.66Å; I377-F409 HydrophobicContact CD1-CD1 4.36Å; I377-F409 HydrophobicContact CD1-CD2 4.37Å; I377-F409 HydrophobicContact CD1-CE1 4.02Å; I377-F409 HydrophobicContact CD1-CE2 4.01Å; I377-F409 HydrophobicContact CD1-CZ 3.82Å; I377-F423 PolarHBondContact N-O 3Å; I377-F424 HydrophobicContact CB-CD1 4.14Å; I377-F424 HydrophobicContact CB-CE1 4.19Å; I377-F424 HydrophobicContact CD1-CD1 4.39Å; I377-F424 HydrophobicContact CD1-CE1 3.6Å; I377-F424 HydrophobicContact CD1-CZ 4.04Å; I377-F424 HydrophobicContact CG1-CE1 4.43Å; I377-F424 HydrophobicContact CG2-CD1 4.38Å; I377-F424 HydrophobicContact CG2-CE1 4.43Å; I377-I425 PolarHBondContact O-N 2.71Å; I377-A437 HydrophobicContact CD1-CB 4.48Å; I377-A437 HydrophobicContact CG2-CB 3.84Å
378G97.9Very high97.9Very high0 Ų033.6 Ų33.60%016%0.155CC..EExtended strand (participates in β ladder)trans-169.4179.1175.400000112E404 A406G378-E404 PolarHBondContact N-O 3.23Å; G378-A406 PolarHBondContact O-N 2.97Å
379C97.3Very high98Very high32 Ų3233.6 Ų33.622%0.21616%0.155CC..  trans-123.9149.2177-59.60000111T381 S382 F383 T431C379-T381 PolarHBondContact O-N 3.49Å; C379-S382 WeakPolarHBondContact O-CB 3.47Å; C379-S382 PolarHBondContact O-N 2.76Å; C379-S382 VanDerWaalsContact O-N 3.08Å; C379-F383 PolarHBondContact O-N 3.15Å; C379-T431 HydrophobicContact CB-CG2 4.25Å
380G96.4Very high98.1Very high33 Ų3335.3 Ų35.334%0.3416%0.159SC..Hα-helixtrans52.3-128.717400000113.5S382 F383 H384G380-S382 PolarHBondContact O-N 3.21Å; G380-F383 WeakPolarHBondContact O-CB 3.37Å; G380-F383 PolarHBondContact O-N 3Å; G380-H384 PolarHBondContact O-N 2.96Å; G380-H384 VanDerWaalsContact O-N 3.11Å
381T98.2Very high98.3Very high10 Ų1029.3 Ų29.36%0.06114%0.14CC..Hα-helixtrans-57.6-32.4178.8-64.30000113.6C379 H384 A385 Y483 E559 K563C379-T381 PolarHBondContact O-N 3.49Å; T381-H384 WeakPolarHBondContact O-CB 3.47Å; T381-H384 PolarHBondContact O-N 2.85Å; T381-A385 PolarHBondContact O-N 2.82Å; T381-Y483 HydrophobicContact CG2-CD2 3.64Å; T381-Y483 HydrophobicContact CG2-CG 3.94Å; T381-E559 WeakPolarHBondContact CA-OE2 3.37Å; T381-E559 WeakPolarHBondContact CB-OE2 3.46Å; T381-E559 VanDerWaalsContact CG2-OE1 3.3Å; T381-E559 WeakPolarHBondContact CG2-OE1 3.32Å; T381-E559 WeakPolarHBondContact CG2-OE2 3.43Å; T381-E559 PolarHBondContact OG1-OE1 2.82Å; T381-E559 VanDerWaalsContact OG1-OE1 3.07Å; T381-E559 PolarHBondContact OG1-OE2 2.76Å; T381-K563 PolarHBondContact OG1-NZ 3.09Å; T381-K563 VanDerWaalsContact OG1-NZ 3.08Å
382S98.3Very high98.3Very high13 Ų1328.9 Ų28.99%0.09114%0.137CC..Hα-helixtrans-69.2-33.5176.2-66.90000112.4C379 G380 A385 A386 I425 Q486C379-S382 WeakPolarHBondContact O-CB 3.47Å; C379-S382 PolarHBondContact O-N 2.76Å; C379-S382 VanDerWaalsContact O-N 3.08Å; G380-S382 PolarHBondContact O-N 3.21Å; S382-A385 PolarHBondContact O-N 3.21Å; S382-A386 PolarHBondContact O-N 3.34Å; S382-I425 VanDerWaalsContact CB-O 3.27Å; S382-I425 WeakPolarHBondContact CB-O 3.43Å; S382-Q486 PolarHBondContact OG-NE2 3.08Å; S382-Q486 PolarHBondContact OG-OE1 3.07Å
383F98.6Very high98.4Very high35 Ų3520.1 Ų20.115%0.15410%0.104CC..Hα-helixtrans-64.7-41.9169.1167-93.8000111C379 G380 A385 A386 V387 V403 L405C379-F383 PolarHBondContact O-N 3.15Å; G380-F383 WeakPolarHBondContact O-CB 3.37Å; G380-F383 PolarHBondContact O-N 3Å; F383-A385 VanDerWaalsContact C-N 3.27Å; F383-A385 PolarHBondContact O-N 2.92Å; F383-A386 WeakPolarHBondContact O-CB 3.23Å; F383-A386 PolarHBondContact O-N 3.27Å; F383-A386 VanDerWaalsContact O-N 3.09Å; F383-V387 HydrophobicContact CD1-CG2 4.05Å; F383-V387 HydrophobicContact CE1-CG2 3.59Å; F383-V387 HydrophobicContact CE2-CG2 4.33Å; F383-V387 HydrophobicContact CZ-CG2 3.75Å; F383-V387 WeakPolarHBondContact O-CG2 3.37Å; F383-V387 PolarHBondContact O-N 3.24Å; F383-V403 HydrophobicContact CD2-CG1 3.79Å; F383-V403 HydrophobicContact CE2-CB 4.48Å; F383-V403 HydrophobicContact CE2-CG1 3.61Å; F383-V403 HydrophobicContact CZ-CG1 4.31Å; F383-L405 HydrophobicContact CB-CD2 3.85Å; F383-L405 HydrophobicContact CD1-CD2 3.8Å; F383-L405 HydrophobicContact CD1-CG 4.34Å; F383-L405 HydrophobicContact CD2-CD2 3.72Å; F383-L405 HydrophobicContact CD2-CG 3.84Å; F383-L405 HydrophobicContact CE1-CD2 4.26Å; F383-L405 HydrophobicContact CE1-CG 4.35Å; F383-L405 HydrophobicContact CE2-CD2 4.17Å; F383-L405 HydrophobicContact CE2-CG 3.81Å; F383-L405 HydrophobicContact CG-CD2 3.52Å; F383-L405 HydrophobicContact CG-CG 4.11Å; F383-L405 HydrophobicContact CZ-CD2 4.43Å; F383-L405 HydrophobicContact CZ-CG 4.09Å
384H98.8Very high98.4Very high21 Ų2121 Ų2110%0.09711%0.11CC..Hα-helixtrans-60.9-34.6175.9-61.7156.7000112.9G380 T381 A386 V387 A388 Y483 E559G380-H384 PolarHBondContact O-N 2.96Å; G380-H384 VanDerWaalsContact O-N 3.11Å; T381-H384 WeakPolarHBondContact O-CB 3.47Å; T381-H384 PolarHBondContact O-N 2.85Å; H384-A386 VanDerWaalsContact C-N 3.29Å; H384-A386 PolarHBondContact O-N 2.77Å; H384-V387 PolarHBondContact O-N 3.08Å; H384-A388 WeakPolarHBondContact O-CB 3.37Å; H384-A388 PolarHBondContact O-N 2.78Å; H384-Y483 HydrophobicContact CB-CE2 3.95Å; H384-E559 HydrophobicContact CB-CB 4.26Å; H384-E559 IonicContact CE1-OE2 3.38Å; H384-E559 IonicContact CG-OE2 2.81Å; H384-E559 WeakPolarHBondContact ND1-CA 3.17Å; H384-E559 IonicContact ND1-OE2 3.9Å; H384-E559 PolarHBondContact ND1-OE2 2.83Å
385A98.6Very high98.4Very high0 Ų024.1 Ų24.10%012%0.124CC..Hα-helixtrans-62.8-36.6175.400000112T381 S382 F383 A388 T389 Y483 Q486T381-A385 PolarHBondContact O-N 2.82Å; S382-A385 PolarHBondContact O-N 3.21Å; F383-A385 VanDerWaalsContact C-N 3.27Å; F383-A385 PolarHBondContact O-N 2.92Å; A385-A388 PolarHBondContact O-N 3.15Å; A385-T389 PolarHBondContact O-N 2.93Å; A385-T389 PolarHBondContact O-OG1 2.88Å; A385-Y483 HydrophobicContact CB-CD2 3.89Å; A385-Y483 HydrophobicContact CB-CE2 4.02Å; A385-Q486 HydrophobicContact CB-CB 3.85Å
386A98.5Very high98.4Very high1 Ų124.1 Ų24.11%0.00812%0.124CC..Hα-helixtrans-67.6-43.6171.700000112.1M376 S382 F383 H384 A388 T389 R390 V403 I425M376-A386 HydrophobicContact CB-CB 3.66Å; M376-A386 HydrophobicContact CG-CB 4.35Å; S382-A386 PolarHBondContact O-N 3.34Å; F383-A386 WeakPolarHBondContact O-CB 3.23Å; F383-A386 PolarHBondContact O-N 3.27Å; F383-A386 VanDerWaalsContact O-N 3.09Å; H384-A386 VanDerWaalsContact C-N 3.29Å; H384-A386 PolarHBondContact O-N 2.77Å; A386-A388 VanDerWaalsContact C-N 3.25Å; A386-A388 PolarHBondContact O-N 3.03Å; A386-T389 PolarHBondContact O-N 2.88Å; A386-T389 PolarHBondContact O-OG1 3.29Å; A386-R390 WeakPolarHBondContact O-CB 3.36Å; A386-R390 PolarHBondContact O-N 2.8Å; A386-V403 HydrophobicContact CB-CB 4.49Å; A386-V403 HydrophobicContact CB-CG1 3.45Å; A386-V403 VanDerWaalsContact CB-CG1 3.45Å; A386-V403 HydrophobicContact CB-CG2 4.25Å; A386-I425 HydrophobicContact CB-CD1 3.66Å
387V98.7Very high98.3Very high31 Ų3124.5 Ų24.519%0.18813%0.127CC..Hα-helixtrans-59.4-39.8175.2-179.90000110.9F383 H384 T389 V403 Y554 A555F383-V387 HydrophobicContact CD1-CG2 4.05Å; F383-V387 HydrophobicContact CE1-CG2 3.59Å; F383-V387 HydrophobicContact CE2-CG2 4.33Å; F383-V387 HydrophobicContact CZ-CG2 3.75Å; F383-V387 WeakPolarHBondContact O-CG2 3.37Å; F383-V387 PolarHBondContact O-N 3.24Å; H384-V387 PolarHBondContact O-N 3.08Å; V387-T389 VanDerWaalsContact C-N 3.26Å; V387-T389 PolarHBondContact O-N 2.94Å; V387-V403 HydrophobicContact CG2-CG1 3.87Å; V387-Y554 HydrophobicContact CG1-CD1 4.04Å; V387-Y554 HydrophobicContact CG1-CE1 4.42Å; V387-A555 HydrophobicContact CB-CB 4.13Å; V387-A555 HydrophobicContact CG1-CB 4Å
388A98.6Very high98.2Very high3 Ų331 Ų313%0.02516%0.157CC..Hα-helixtrans-66-28.7-178.600000113.4H384 A385 A386 F487 A555H384-A388 WeakPolarHBondContact O-CB 3.37Å; H384-A388 PolarHBondContact O-N 2.78Å; A385-A388 PolarHBondContact O-N 3.15Å; A386-A388 VanDerWaalsContact C-N 3.25Å; A386-A388 PolarHBondContact O-N 3.03Å; A388-F487 HydrophobicContact CB-CD1 3.83Å; A388-F487 HydrophobicContact CB-CE1 3.41Å; A388-F487 VanDerWaalsContact CB-CE1 3.41Å; A388-F487 HydrophobicContact CB-CE2 4.35Å; A388-F487 HydrophobicContact CB-CG 4.47Å; A388-F487 HydrophobicContact CB-CZ 3.69Å; A388-A555 VanDerWaalsContact CA-CB 3.41Å; A388-A555 HydrophobicContact CB-CB 3.45Å; A388-A555 VanDerWaalsContact CB-CB 3.45Å
389T98.7Very high98.2Very high0 Ų032.5 Ų32.50%017%0.165CC..Hα-helixtrans-104.8-14.5-174.951.20000113.5A385 A386 V387 Q391 L392 L393 F487 L490 I491A385-T389 PolarHBondContact O-N 2.93Å; A385-T389 PolarHBondContact O-OG1 2.88Å; A386-T389 PolarHBondContact O-N 2.88Å; A386-T389 PolarHBondContact O-OG1 3.29Å; V387-T389 VanDerWaalsContact C-N 3.26Å; V387-T389 PolarHBondContact O-N 2.94Å; T389-Q391 VanDerWaalsContact C-N 3.34Å; T389-Q391 PolarHBondContact O-N 2.8Å; T389-L392 PolarHBondContact O-N 3.46Å; T389-L393 WeakPolarHBondContact O-CG 3.4Å; T389-L393 PolarHBondContact O-N 2.87Å; T389-F487 HydrophobicContact CG2-CD2 3.18Å; T389-F487 HydrophobicContact CG2-CE2 3.39Å; T389-F487 HydrophobicContact CG2-CG 4Å; T389-F487 HydrophobicContact CG2-CZ 4.37Å; T389-L490 HydrophobicContact CG2-CB 3.87Å; T389-L490 HydrophobicContact CG2-CD1 4.31Å; T389-L490 VanDerWaalsContact OG1-CD1 3.31Å; T389-L490 WeakPolarHBondContact OG1-CD1 3.26Å; T389-I491 HydrophobicContact CG2-CG1 4.27Å
390R98.8Very high98.3Very high112 Ų11234.6 Ų34.642%0.42318%0.178SC..Hα-helixtrans-44.9-54.5-179.2-179.3-174.6170.1165.52.5112.9A386 L392 L393 E394 V401 V403A386-R390 WeakPolarHBondContact O-CB 3.36Å; A386-R390 PolarHBondContact O-N 2.8Å; R390-L392 VanDerWaalsContact C-N 3.32Å; R390-L392 PolarHBondContact O-N 2.78Å; R390-L393 PolarHBondContact O-N 3.05Å; R390-E394 HydrophobicContact CG-CG 4.47Å; R390-E394 IonicContact CZ-OE1 3.61Å; R390-E394 IonicContact NE-OE1 2.75Å; R390-E394 PolarHBondContact NE-OE1 3.38Å; R390-E394 IonicContact NH2-OE1 3.96Å; R390-E394 PolarHBondContact NH2-OE1 3.36Å; R390-E394 WeakPolarHBondContact O-CG 3.43Å; R390-E394 PolarHBondContact O-N 3.02Å; R390-V401 HydrophobicContact CG-CB 4.23Å; R390-V401 HydrophobicContact CG-CG1 4.15Å; R390-V401 PolarHBondContact NE-O 3.29Å; R390-V403 HydrophobicContact CB-CG2 3.99Å; R390-V403 HydrophobicContact CG-CG2 4.01Å
391Q98.4Very high98.4Very high81 Ų8133.2 Ų33.238%0.37916%0.163SC..Hα-helixtrans-60.7-40.5-176.1-178-178.9-18.800112.2T389 E395 Y552T389-Q391 VanDerWaalsContact C-N 3.34Å; T389-Q391 PolarHBondContact O-N 2.8Å; Q391-E395 WeakPolarHBondContact O-CB 3.47Å; Q391-E395 PolarHBondContact O-N 2.87Å; Q391-Y552 HydrophobicContact CB-CD1 4.37Å; Q391-Y552 HydrophobicContact CB-CE1 3.82Å; Q391-Y552 HydrophobicContact CG-CE1 4.01Å
392L98.5Very high98.4Very high2 Ų235 Ų351%0.0117%0.172CC..Hα-helixtrans-71.5-37.6178.1-177.769.4000111.4T389 R390 E395 L396 I491 I511 Y552 C648T389-L392 PolarHBondContact O-N 3.46Å; R390-L392 VanDerWaalsContact C-N 3.32Å; R390-L392 PolarHBondContact O-N 2.78Å; L392-E395 WeakPolarHBondContact O-CB 3.43Å; L392-E395 PolarHBondContact O-N 3Å; L392-L396 HydrophobicContact CD1-CD1 3.84Å; L392-L396 HydrophobicContact CD1-CD2 4.45Å; L392-L396 HydrophobicContact CD1-CG 3.85Å; L392-L396 HydrophobicContact CD2-CD1 4.17Å; L392-L396 HydrophobicContact CG-CD1 3.82Å; L392-L396 HydrophobicContact CG-CG 4.1Å; L392-L396 WeakPolarHBondContact O-CB 3.48Å; L392-L396 WeakPolarHBondContact O-CG 3.2Å; L392-L396 PolarHBondContact O-N 2.8Å; L392-I491 HydrophobicContact CD2-CB 4.19Å; L392-I491 HydrophobicContact CD2-CD1 4.36Å; L392-I491 HydrophobicContact CD2-CG1 3.75Å; L392-I491 HydrophobicContact CD2-CG2 3.92Å; L392-I511 HydrophobicContact CD1-CD1 3.88Å; L392-Y552 HydrophobicContact CB-CE1 4.25Å; L392-C648 HydrophobicContact CB-CB 4.21Å; L392-C648 HydrophobicContact CD1-CB 3.86Å; L392-C648 HydrophobicContact CD2-CB 3.98Å; L392-C648 HydrophobicContact CG-CB 4.22Å
393L98.7Very high98.5Very high1 Ų135.3 Ų35.31%0.00517%0.173CC..Hα-helixtrans-64.5-43.2176.6-68176.4000110.8M376 T389 R390 E395 L396 T397 V401 F493M376-L393 HydrophobicContact CE-CD1 3.99Å; M376-L393 HydrophobicContact SD-CD1 4.22Å; T389-L393 WeakPolarHBondContact O-CG 3.4Å; T389-L393 PolarHBondContact O-N 2.87Å; R390-L393 PolarHBondContact O-N 3.05Å; L393-E395 VanDerWaalsContact C-N 3.32Å; L393-E395 PolarHBondContact O-N 3.26Å; L393-L396 PolarHBondContact O-N 3.48Å; L393-T397 VanDerWaalsContact O-CB 3.27Å; L393-T397 WeakPolarHBondContact O-CB 3.35Å; L393-T397 VanDerWaalsContact O-CG2 3.3Å; L393-T397 WeakPolarHBondContact O-CG2 3.42Å; L393-T397 PolarHBondContact O-N 2.91Å; L393-T397 PolarHBondContact O-OG1 3.25Å; L393-V401 HydrophobicContact CB-CG1 4.48Å; L393-V401 HydrophobicContact CB-CG2 3.89Å; L393-V401 HydrophobicContact CD1-CG1 4.49Å; L393-F493 HydrophobicContact CD2-CD1 3.72Å; L393-F493 HydrophobicContact CD2-CE1 4.17Å
394E98.7Very high98.5Very high67 Ų6735.1 Ų35.131%0.31317%0.172SC..Hα-helixtrans-57.3-45.9171.6-69.6168.5163.800110.6R390 E398 V401R390-E394 HydrophobicContact CG-CG 4.47Å; R390-E394 IonicContact CZ-OE1 3.61Å; R390-E394 IonicContact NE-OE1 2.75Å; R390-E394 PolarHBondContact NE-OE1 3.38Å; R390-E394 IonicContact NH2-OE1 3.96Å; R390-E394 PolarHBondContact NH2-OE1 3.36Å; R390-E394 WeakPolarHBondContact O-CG 3.43Å; R390-E394 PolarHBondContact O-N 3.02Å; E394-E398 VanDerWaalsContact O-CA 3.25Å; E394-E398 WeakPolarHBondContact O-CA 3.43Å; E394-E398 PolarHBondContact O-N 3.06Å; E394-V401 HydrophobicContact CB-CG2 4.48Å; E394-V401 HydrophobicContact CG-CB 3.8Å; E394-V401 HydrophobicContact CG-CG2 3.64Å
395E98.3Very high98.4Very high65 Ų6537.4 Ų37.430%0.30419%0.185SC..Hα-helixtrans-60.9-51178.4-174.1-168.1146.200112.8Q391 L392 L393 R507 Y552Q391-E395 WeakPolarHBondContact O-CB 3.47Å; Q391-E395 PolarHBondContact O-N 2.87Å; L392-E395 WeakPolarHBondContact O-CB 3.43Å; L392-E395 PolarHBondContact O-N 3Å; L393-E395 VanDerWaalsContact C-N 3.32Å; L393-E395 PolarHBondContact O-N 3.26Å; E395-R507 VanDerWaalsContact OE1-CG 3.3Å; E395-R507 WeakPolarHBondContact OE1-CG 3.47Å; E395-R507 IonicContact OE1-CZ 3.57Å; E395-R507 IonicContact OE1-NE 2.94Å; E395-R507 PolarHBondContact OE1-NE 3.05Å; E395-R507 IonicContact OE1-NH2 2.77Å; E395-R507 IonicContact OE2-CZ 3.67Å; E395-R507 IonicContact OE2-NE 3.66Å; E395-R507 IonicContact OE2-NH2 2.67Å; E395-R507 PolarHBondContact OE2-NH2 3.06Å; E395-R507 VanDerWaalsContact OE2-NH2 3.11Å; E395-Y552 PolarHBondContact OE2-OH 2.78Å
396L98.2Very high98.4Very high0 Ų037.4 Ų37.40%019%0.185CC..Hα-helixtrans-82.3-30-171.1-65.7-175.2000113.3L392 L393 G494 L495 R501 L504 R507 I511L392-L396 HydrophobicContact CD1-CD1 3.84Å; L392-L396 HydrophobicContact CD1-CD2 4.45Å; L392-L396 HydrophobicContact CD1-CG 3.85Å; L392-L396 HydrophobicContact CD2-CD1 4.17Å; L392-L396 HydrophobicContact CG-CD1 3.82Å; L392-L396 HydrophobicContact CG-CG 4.1Å; L392-L396 WeakPolarHBondContact O-CB 3.48Å; L392-L396 WeakPolarHBondContact O-CG 3.2Å; L392-L396 PolarHBondContact O-N 2.8Å; L393-L396 PolarHBondContact O-N 3.48Å; L396-G494 VanDerWaalsContact CD1-C 3.49Å; L396-L495 HydrophobicContact CD1-CD2 4.29Å; L396-R501 PolarHBondContact O-NH1 3.19Å; L396-R501 VanDerWaalsContact O-NH1 3.07Å; L396-L504 HydrophobicContact CD2-CD1 4.22Å; L396-R507 HydrophobicContact CD2-CG 4.37Å; L396-I511 HydrophobicContact CD1-CD1 4.29Å
397T97.6Very high98.3Very high7 Ų739.7 Ų39.74%0.04320%0.201CC..Hα-helixtrans-94.1-27.5-179.170.90000112.7L374 L393 L399 M497 R501L374-T397 HydrophobicContact CD1-CG2 4.15Å; L393-T397 VanDerWaalsContact O-CB 3.27Å; L393-T397 WeakPolarHBondContact O-CB 3.35Å; L393-T397 VanDerWaalsContact O-CG2 3.3Å; L393-T397 WeakPolarHBondContact O-CG2 3.42Å; L393-T397 PolarHBondContact O-N 2.91Å; L393-T397 PolarHBondContact O-OG1 3.25Å; T397-L399 PolarHBondContact O-N 3.29Å; T397-L399 WeakPolarHBondContact OG1-CB 3.31Å; T397-L399 PolarHBondContact OG1-N 2.62Å; T397-L399 VanDerWaalsContact OG1-N 3.14Å; T397-M497 HydrophobicContact CG2-CB 3.85Å; T397-M497 HydrophobicContact CG2-CG 4.1Å; T397-R501 PolarHBondContact O-NH1 2.79Å; T397-R501 PolarHBondContact O-NH2 2.81Å
398E97.4Very high98.2Very high137 Ų13741.2 Ų41.264%0.6421%0.208SC*.  trans5721.1-165.8-65167.7164.500113.7E394 R501E394-E398 VanDerWaalsContact O-CA 3.25Å; E394-E398 WeakPolarHBondContact O-CA 3.43Å; E394-E398 PolarHBondContact O-N 3.06Å; E398-R501 IonicContact OE1-NH1 3.6Å; E398-R501 IonicContact OE2-CZ 2.9Å; E398-R501 IonicContact OE2-NE 3.63Å; E398-R501 IonicContact OE2-NH1 2.74Å; E398-R501 PolarHBondContact OE2-NH1 3.34Å; E398-R501 VanDerWaalsContact OE2-NH1 3.11Å; E398-R501 IonicContact OE2-NH2 3.88Å; E398-R501 PolarHBondContact OE2-NH2 3.01Å
399L98.1Very high98.2Very high31 Ų3141 Ų4116%0.16221%0.207CC..SBendtrans-96.6150.8174.3-62175.4000110.5C371 L374 T397 V401C371-L399 VanDerWaalsContact SG-CD1 3.51Å; L374-L399 HydrophobicContact CD1-CD1 4.49Å; L374-L399 HydrophobicContact CD2-CD1 3.96Å; L374-L399 HydrophobicContact CG-CB 4.35Å; L374-L399 HydrophobicContact CG-CD1 4.01Å; T397-L399 PolarHBondContact O-N 3.29Å; T397-L399 WeakPolarHBondContact OG1-CB 3.31Å; T397-L399 PolarHBondContact OG1-N 2.62Å; T397-L399 VanDerWaalsContact OG1-N 3.14Å; L399-V401 PolarHBondContact O-N 3.3Å
400P98.6Very high98.1Very high77 Ų7742.6 Ų42.650%0.522%0.215SC..  trans-56.5126.4161.5-19.631.6000110.2R372 R373 L374R372-P400 VanDerWaalsContact O-CD 3.25Å; R372-P400 WeakPolarHBondContact O-CD 3.47Å; R373-P400 HydrophobicContact CG-CB 4.32Å; L374-P400 PolarHBondContact N-O 3Å
401V98.8Very high98.1Very high4 Ų443.4 Ų43.42%0.02423%0.228CC..EExtended strand (participates in β ladder)trans-114.6109.8175.3-173.80000109L374 M376 R390 L393 E394 L399 V403L374-V401 HydrophobicContact CB-CG1 4.4Å; L374-V401 HydrophobicContact CB-CG2 4.26Å; L374-V401 HydrophobicContact CD1-CG2 4.17Å; L374-V401 WeakPolarHBondContact O-CA 3.17Å; M376-V401 HydrophobicContact CG-CG1 3.75Å; M376-V401 HydrophobicContact SD-CG1 4.39Å; R390-V401 HydrophobicContact CG-CB 4.23Å; R390-V401 HydrophobicContact CG-CG1 4.15Å; R390-V401 PolarHBondContact NE-O 3.29Å; L393-V401 HydrophobicContact CB-CG1 4.48Å; L393-V401 HydrophobicContact CB-CG2 3.89Å; L393-V401 HydrophobicContact CD1-CG1 4.49Å; E394-V401 HydrophobicContact CB-CG2 4.48Å; E394-V401 HydrophobicContact CG-CB 3.8Å; E394-V401 HydrophobicContact CG-CG2 3.64Å; L399-V401 PolarHBondContact O-N 3.3Å; V401-V403 HydrophobicContact CG1-CG2 4.42Å
402M98.7Very high98Very high48 Ų4845.2 Ų45.224%0.23623%0.231CC..EExtended strand (participates in β ladder)trans-90.8141.8171.2-73.6176.543.900109.6R373 L374 I375 M376 E404 T414R373-M402 PolarHBondContact NH1-SD 3.45Å; L374-M402 PolarHBondContact O-N 2.83Å; I375-M402 HydrophobicContact CG2-CB 4.38Å; M376-M402 WeakPolarHBondContact CG-O 3.44Å; M376-M402 PolarHBondContact N-O 2.84Å; M402-E404 HydrophobicContact CE-CG 4.24Å; M402-E404 WeakPolarHBondContact CE-OE1 3.15Å; M402-T414 HydrophobicContact CE-CG2 4.38Å
403V98.7Very high98Very high19 Ų1950.2 Ų50.212%0.11526%0.257CS..EExtended strand (participates in β ladder)trans-128.1120176.7-175.50000107.8M376 F383 A386 V387 R390 V401M376-V403 HydrophobicContact CB-CG1 4.44Å; M376-V403 HydrophobicContact CB-CG2 4.17Å; M376-V403 HydrophobicContact CG-CG2 4.18Å; M376-V403 CarbonylContact O-C 3.57Å; M376-V403 WeakPolarHBondContact O-CA 3.48Å; F383-V403 HydrophobicContact CD2-CG1 3.79Å; F383-V403 HydrophobicContact CE2-CB 4.48Å; F383-V403 HydrophobicContact CE2-CG1 3.61Å; F383-V403 HydrophobicContact CZ-CG1 4.31Å; A386-V403 HydrophobicContact CB-CB 4.49Å; A386-V403 HydrophobicContact CB-CG1 3.45Å; A386-V403 VanDerWaalsContact CB-CG1 3.45Å; A386-V403 HydrophobicContact CB-CG2 4.25Å; V387-V403 HydrophobicContact CG2-CG1 3.87Å; R390-V403 HydrophobicContact CB-CG2 3.99Å; R390-V403 HydrophobicContact CG-CG2 4.01Å; V401-V403 HydrophobicContact CG1-CG2 4.42Å
404E98.5Very high98Very high30 Ų3050.5 Ų50.514%0.1426%0.259CS..EExtended strand (participates in β ladder)trans-129.4136.7-165.4-64.7-65.4162.600111.2I375 M376 I377 G378 M402 F409 R412I375-E404 HydrophobicContact CG2-CG 4.28Å; M376-E404 PolarHBondContact O-N 2.89Å; I377-E404 HydrophobicContact CG1-CB 4.48Å; G378-E404 PolarHBondContact N-O 3.23Å; M402-E404 HydrophobicContact CE-CG 4.24Å; M402-E404 WeakPolarHBondContact CE-OE1 3.15Å; E404-F409 HydrophobicContact CB-CB 4.22Å; E404-F409 HydrophobicContact CB-CD2 3.98Å; E404-F409 HydrophobicContact CB-CG 4.49Å; E404-F409 HydrophobicContact CG-CD2 3.96Å; E404-R412 IonicContact OE1-NH2 2.77Å; E404-R412 IonicContact OE2-CZ 3.24Å; E404-R412 IonicContact OE2-NH2 3.72Å; E404-R412 PolarHBondContact OE2-NH2 2.83Å
405L98.4Very high97.9Very high69 Ų6951.3 Ų51.336%0.36127%0.271SS..EExtended strand (participates in β ladder)trans-73.9127.1165.9-74.8168.4000108.1F383 S407 D408 F409F383-L405 HydrophobicContact CB-CD2 3.85Å; F383-L405 HydrophobicContact CD1-CD2 3.8Å; F383-L405 HydrophobicContact CD1-CG 4.34Å; F383-L405 HydrophobicContact CD2-CD2 3.72Å; F383-L405 HydrophobicContact CD2-CG 3.84Å; F383-L405 HydrophobicContact CE1-CD2 4.26Å; F383-L405 HydrophobicContact CE1-CG 4.35Å; F383-L405 HydrophobicContact CE2-CD2 4.17Å; F383-L405 HydrophobicContact CE2-CG 3.81Å; F383-L405 HydrophobicContact CG-CD2 3.52Å; F383-L405 HydrophobicContact CG-CG 4.11Å; F383-L405 HydrophobicContact CZ-CD2 4.43Å; F383-L405 HydrophobicContact CZ-CG 4.09Å; L405-S407 VanDerWaalsContact C-N 3.31Å; L405-S407 PolarHBondContact O-N 3.36Å; L405-D408 HydrophobicContact CB-CB 4.41Å; L405-D408 PolarHBondContact O-N 3.36Å; L405-F409 VanDerWaalsContact O-CB 3.31Å; L405-F409 WeakPolarHBondContact O-CB 3.36Å; L405-F409 PolarHBondContact O-N 3.44Å
406A97.8Very high97.9Very high0 Ų048.9 Ų48.90%026%0.26CS..Hα-helixtrans-61.1-36.2-169.400000114.1I377 G378 F409 L410 D433 A437I377-A406 HydrophobicContact CG2-CB 3.66Å; G378-A406 PolarHBondContact O-N 2.97Å; A406-F409 WeakPolarHBondContact O-CB 3.32Å; A406-L410 WeakPolarHBondContact O-CG 3.5Å; A406-L410 PolarHBondContact O-N 2.82Å; A406-D433 HydrophobicContact CB-CB 3.71Å; A406-A437 HydrophobicContact CB-CB 4.37Å
407S95.8Very high97.9Very high50 Ų5054.4 Ų54.435%0.3528%0.284SS..Hα-helixtrans-63.8-55.4177.550.40000112.1L405 F409 L410 D411L405-S407 VanDerWaalsContact C-N 3.31Å; L405-S407 PolarHBondContact O-N 3.36Å; S407-F409 VanDerWaalsContact C-N 3.26Å; S407-F409 PolarHBondContact O-N 2.96Å; S407-L410 WeakPolarHBondContact O-CB 3.38Å; S407-L410 PolarHBondContact O-N 3.17Å; S407-L410 VanDerWaalsContact O-N 3.08Å; S407-D411 PolarHBondContact O-N 2.86Å
408D98.1Very high97.9Very high62 Ų6264.2 Ų64.233%0.33232%0.32SS..Hα-helixtrans-63.1-32.2178.1179.131.3000112.1L405 L410 D411 R412L405-D408 HydrophobicContact CB-CB 4.41Å; L405-D408 PolarHBondContact O-N 3.36Å; D408-L410 VanDerWaalsContact C-N 3.34Å; D408-L410 PolarHBondContact O-N 2.92Å; D408-D411 PolarHBondContact O-N 3.01Å; D408-R412 WeakPolarHBondContact O-CG 3.5Å; D408-R412 PolarHBondContact O-N 3.48Å; D408-R412 VanDerWaalsContact O-N 3.13Å; D408-R412 IonicContact OD1-CZ 3.63Å; D408-R412 IonicContact OD1-NE 3.57Å; D408-R412 IonicContact OD1-NH1 3.54Å; D408-R412 PolarHBondContact OD1-NH1 3.24Å; D408-R412 IonicContact OD2-CZ 2.72Å; D408-R412 IonicContact OD2-NH1 3.32Å; D408-R412 PolarHBondContact OD2-NH1 3Å
409F98.3Very high97.9Very high0 Ų060.5 Ų60.50%031%0.305CS..Hα-helixtrans-59.1-43.6172.4177.7-92.1000112.7I375 I377 E404 L405 A406 S407 T414 V416 A437 Y440I375-F409 HydrophobicContact CG2-CE2 4.2Å; I377-F409 HydrophobicContact CD1-CD1 4.36Å; I377-F409 HydrophobicContact CD1-CD2 4.37Å; I377-F409 HydrophobicContact CD1-CE1 4.02Å; I377-F409 HydrophobicContact CD1-CE2 4.01Å; I377-F409 HydrophobicContact CD1-CZ 3.82Å; E404-F409 HydrophobicContact CB-CB 4.22Å; E404-F409 HydrophobicContact CB-CD2 3.98Å; E404-F409 HydrophobicContact CB-CG 4.49Å; E404-F409 HydrophobicContact CG-CD2 3.96Å; L405-F409 VanDerWaalsContact O-CB 3.31Å; L405-F409 WeakPolarHBondContact O-CB 3.36Å; L405-F409 PolarHBondContact O-N 3.44Å; A406-F409 WeakPolarHBondContact O-CB 3.32Å; S407-F409 VanDerWaalsContact C-N 3.26Å; S407-F409 PolarHBondContact O-N 2.96Å; F409-T414 VanDerWaalsContact CD2-CB 3.44Å; F409-T414 HydrophobicContact CD2-CG2 3.7Å; F409-T414 WeakPolarHBondContact CD2-OG1 3.47Å; F409-T414 VanDerWaalsContact CE2-CB 3.42Å; F409-T414 HydrophobicContact CE2-CG2 3.49Å; F409-T414 VanDerWaalsContact CE2-CG2 3.49Å; F409-T414 HydrophobicContact CZ-CG2 4.39Å; F409-T414 WeakPolarHBondContact O-CB 3.39Å; F409-T414 PolarHBondContact O-N 3.09Å; F409-T414 VanDerWaalsContact O-N 3.16Å; F409-T414 PolarHBondContact O-OG1 2.81Å; F409-V416 HydrophobicContact CE2-CG2 4.26Å; F409-V416 HydrophobicContact CZ-CG2 3.57Å; F409-A437 HydrophobicContact CD1-CB 3.96Å; F409-A437 HydrophobicContact CE1-CB 4.24Å; F409-Y440 AromaticContact CE1-CD1 3.7Å; F409-Y440 HydrophobicContact CE1-CD1 3.7Å; F409-Y440 HydrophobicContact CE1-CE1 4.06Å; F409-Y440 HydrophobicContact CE1-CG 4.44Å; F409-Y440 HydrophobicContact CZ-CD1 4.23Å; F409-Y440 HydrophobicContact CZ-CE1 4.31Å
410L96.9Very high97.9Very high33 Ų3359.2 Ų59.217%0.17330%0.298CS..Hα-helixtrans-71-47.6177.3-70.9167.3000111.4A406 S407 D408 R412 N413 D433 M436 A437 Y440A406-L410 WeakPolarHBondContact O-CG 3.5Å; A406-L410 PolarHBondContact O-N 2.82Å; S407-L410 WeakPolarHBondContact O-CB 3.38Å; S407-L410 PolarHBondContact O-N 3.17Å; S407-L410 VanDerWaalsContact O-N 3.08Å; D408-L410 VanDerWaalsContact C-N 3.34Å; D408-L410 PolarHBondContact O-N 2.92Å; L410-R412 VanDerWaalsContact C-N 3.25Å; L410-R412 PolarHBondContact O-N 3.21Å; L410-N413 PolarHBondContact O-N 3.47Å; L410-D433 HydrophobicContact CD1-CB 4.48Å; L410-M436 HydrophobicContact CD1-CB 3.71Å; L410-M436 HydrophobicContact CD2-CB 4.43Å; L410-A437 HydrophobicContact CD2-CB 4.37Å; L410-A437 HydrophobicContact CG-CB 4.35Å; L410-Y440 HydrophobicContact CD2-CD2 4.1Å; L410-Y440 HydrophobicContact CD2-CG 4.18Å
411D97.3Very high98Very high129 Ų12955.7 Ų55.769%0.6928%0.275SS*.Hα-helixtrans-55.3-41.9-178.6-73.6-20.9000112.1S407 D408 N413S407-D411 PolarHBondContact O-N 2.86Å; D408-D411 PolarHBondContact O-N 3.01Å; D411-N413 VanDerWaalsContact C-N 3.25Å; D411-N413 PolarHBondContact O-N 3.31Å
412R97.8Very high98Very high119 Ų11955.5 Ų55.545%0.44927%0.274SS..THydrogen-bonded Turntrans-79.8-5.6179.7-63.6-169.9-47.8-119.8-4.6114.1E404 D408 L410 T414E404-R412 IonicContact OE1-NH2 2.77Å; E404-R412 IonicContact OE2-CZ 3.24Å; E404-R412 IonicContact OE2-NH2 3.72Å; E404-R412 PolarHBondContact OE2-NH2 2.83Å; D408-R412 WeakPolarHBondContact O-CG 3.5Å; D408-R412 PolarHBondContact O-N 3.48Å; D408-R412 VanDerWaalsContact O-N 3.13Å; D408-R412 IonicContact OD1-CZ 3.63Å; D408-R412 IonicContact OD1-NE 3.57Å; D408-R412 IonicContact OD1-NH1 3.54Å; D408-R412 PolarHBondContact OD1-NH1 3.24Å; D408-R412 IonicContact OD2-CZ 2.72Å; D408-R412 IonicContact OD2-NH1 3.32Å; D408-R412 PolarHBondContact OD2-NH1 3Å; L410-R412 VanDerWaalsContact C-N 3.25Å; L410-R412 PolarHBondContact O-N 3.21Å; R412-T414 VanDerWaalsContact C-N 3.32Å; R412-T414 PolarHBondContact O-N 2.95Å
413N97.1Very high98Very high106 Ų10653.2 Ų53.257%0.56726%0.263SS*.THydrogen-bonded Turntrans48.755.8-170-69-77000111L410 D411 Y440L410-N413 PolarHBondContact O-N 3.47Å; D411-N413 VanDerWaalsContact C-N 3.25Å; D411-N413 PolarHBondContact O-N 3.31Å; N413-Y440 PolarHBondContact O-OH 2.88Å
414T98.3Very high98Very high8 Ų852.3 Ų52.35%0.04926%0.257CS..  trans-55.8131.7-169.7-590000112M402 F409 R412 V416 Y440M402-T414 HydrophobicContact CE-CG2 4.38Å; F409-T414 VanDerWaalsContact CD2-CB 3.44Å; F409-T414 HydrophobicContact CD2-CG2 3.7Å; F409-T414 WeakPolarHBondContact CD2-OG1 3.47Å; F409-T414 VanDerWaalsContact CE2-CB 3.42Å; F409-T414 HydrophobicContact CE2-CG2 3.49Å; F409-T414 VanDerWaalsContact CE2-CG2 3.49Å; F409-T414 HydrophobicContact CZ-CG2 4.39Å; F409-T414 WeakPolarHBondContact O-CB 3.39Å; F409-T414 PolarHBondContact O-N 3.09Å; F409-T414 VanDerWaalsContact O-N 3.16Å; F409-T414 PolarHBondContact O-OG1 2.81Å; R412-T414 VanDerWaalsContact C-N 3.32Å; R412-T414 PolarHBondContact O-N 2.95Å; T414-V416 PolarHBondContact O-N 2.98Å; T414-Y440 WeakPolarHBondContact O-CE1 3.45Å; T414-Y440 PolarHBondContact O-OH 2.83Å
415P98.4Very high98Very high84 Ų8450.9 Ų50.955%0.54525%0.251SS..  trans-63.5119.8179.7-25.234.9000113.8R373 F417R373-P415 PolarHBondContact NH2-O 3.16Å; P415-F417 HydrophobicContact CB-CE2 4.29Å; P415-F417 HydrophobicContact CB-CZ 4.21Å
416V98.4Very high98Very high13 Ų1347.6 Ų47.68%0.07923%0.233CC..  trans-119.9138176.5178.70000109.6I375 F409 T414 D420 Y440 C441 R444 A446I375-V416 HydrophobicContact CD1-CG2 4.46Å; F409-V416 HydrophobicContact CE2-CG2 4.26Å; F409-V416 HydrophobicContact CZ-CG2 3.57Å; T414-V416 PolarHBondContact O-N 2.98Å; V416-D420 WeakPolarHBondContact CA-OD2 3.48Å; V416-Y440 HydrophobicContact CG2-CD1 4.38Å; V416-Y440 HydrophobicContact CG2-CE1 3.99Å; V416-C441 HydrophobicContact CG1-CB 4.34Å; V416-R444 HydrophobicContact CB-CB 4.04Å; V416-R444 HydrophobicContact CB-CG 4.11Å; V416-R444 HydrophobicContact CG1-CB 3.95Å; V416-A446 HydrophobicContact CG1-CB 3.59Å
417F98.2Very high97.9Very high116 Ų11648.5 Ų48.551%0.50924%0.238SC..  trans-120.8163.9-178.4-55.1-77.9000111.4P415 D419 D420P415-F417 HydrophobicContact CB-CE2 4.29Å; P415-F417 HydrophobicContact CB-CZ 4.21Å; F417-D419 WeakPolarHBondContact CB-OD1 3.29Å; F417-D419 PolarHBondContact O-N 3.25Å; F417-D420 PolarHBondContact N-OD2 3.49Å; F417-D420 WeakPolarHBondContact O-CB 3.48Å; F417-D420 PolarHBondContact O-N 3.45Å; F417-D420 VanDerWaalsContact O-N 3.17Å
418R97.4Very high97.7Very high213 Ų21346.7 Ų46.780%0.80423%0.225SC*.THydrogen-bonded Turntrans-66.9-22-178.2-67.9179.9177163.3-2.1114.1R444 G445R418-R444 WeakPolarHBondContact CG-O 3.26Å; R418-G445 WeakPolarHBondContact CA-O 3.34Å
419D97.1Very high97.5Very high60 Ų6043.7 Ų43.732%0.32121%0.209SC..THydrogen-bonded Turntrans-97.312.5177.662.1-26.2000113C371 R372 F417C371-D419 WeakPolarHBondContact CA-O 3.47Å; C371-D419 VanDerWaalsContact CB-O 3.25Å; C371-D419 WeakPolarHBondContact CB-O 3.37Å; R372-D419 WeakPolarHBondContact CD-OD2 3.29Å; R372-D419 HydrophobicContact CG-CB 4.5Å; R372-D419 WeakPolarHBondContact CG-OD2 3.46Å; R372-D419 PolarHBondContact N-O 2.97Å; R372-D419 IonicContact NE-OD2 3.61Å; F417-D419 WeakPolarHBondContact CB-OD1 3.29Å; F417-D419 PolarHBondContact O-N 3.25Å
420D98.5Very high97.1Very high4 Ų444.4 Ų44.42%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-84.9146.6166.8-67.1-38.3000110.9R373 I375 V416 F417 A446 L447R373-D420 WeakPolarHBondContact CB-OD1 3.22Å; R373-D420 IonicContact CZ-OD1 2.72Å; R373-D420 IonicContact CZ-OD2 3.11Å; R373-D420 IonicContact NE-OD1 3.27Å; R373-D420 PolarHBondContact NE-OD1 2.77Å; R373-D420 IonicContact NE-OD2 3.86Å; R373-D420 IonicContact NH2-OD1 3.89Å; R373-D420 PolarHBondContact NH2-OD1 3.13Å; R373-D420 IonicContact NH2-OD2 3.76Å; R373-D420 PolarHBondContact NH2-OD2 2.96Å; I375-D420 HydrophobicContact CD1-CB 4.14Å; V416-D420 WeakPolarHBondContact CA-OD2 3.48Å; F417-D420 PolarHBondContact N-OD2 3.49Å; F417-D420 WeakPolarHBondContact O-CB 3.48Å; F417-D420 PolarHBondContact O-N 3.45Å; F417-D420 VanDerWaalsContact O-N 3.17Å; D420-A446 HydrophobicContact CB-CB 4.25Å; D420-L447 PolarHBondContact O-N 3.34Å
421V98.8Very high96.9Very high2 Ų244 Ų441%0.01221%0.211CC..EExtended strand (participates in β ladder)trans-111.6117.8164.6174.10000108.4I368 C371 R373 L374 I375 F423 L447 V449I368-V421 HydrophobicContact CB-CG2 4.41Å; I368-V421 HydrophobicContact CG1-CG1 4.43Å; I368-V421 HydrophobicContact CG1-CG2 4.28Å; I368-V421 HydrophobicContact CG2-CG1 4.39Å; I368-V421 HydrophobicContact CG2-CG2 4.23Å; C371-V421 HydrophobicContact CB-CB 4.34Å; C371-V421 HydrophobicContact CB-CG2 3.38Å; C371-V421 VanDerWaalsContact SG-CG2 3.56Å; R373-V421 PolarHBondContact O-N 2.85Å; L374-V421 WeakPolarHBondContact CA-O 3.38Å; L374-V421 HydrophobicContact CD2-CB 3.89Å; L374-V421 HydrophobicContact CD2-CG1 4.3Å; I375-V421 PolarHBondContact N-O 3.4Å; V421-F423 HydrophobicContact CG1-CD2 4.05Å; V421-F423 HydrophobicContact CG1-CE2 3.54Å; V421-F423 HydrophobicContact CG1-CZ 4.31Å; V421-L447 WeakPolarHBondContact CA-O 3.45Å; V421-L447 HydrophobicContact CG1-CD2 3.99Å; V421-L447 HydrophobicContact CG2-CB 4.25Å; V421-L447 HydrophobicContact CG2-CD2 4.27Å; V421-V449 HydrophobicContact CG1-CG2 3.7Å
422C98.8Very high96.4Very high0 Ų038.4 Ų38.40%018%0.183CC..EExtended strand (participates in β ladder)trans-103.3118.1-176.4-61.80000110.5I375 F424 C441 L447 V449I375-C422 CarbonylContact O-C 3.57Å; I375-C422 WeakPolarHBondContact O-CA 3.35Å; C422-F424 HydrophobicContact CB-CE2 3.59Å; C422-F424 HydrophobicContact CB-CZ 3.58Å; C422-F424 WeakPolarHBondContact O-CD2 3.5Å; C422-F424 VanDerWaalsContact O-CE2 3.3Å; C422-F424 WeakPolarHBondContact O-CE2 3.46Å; C422-C441 HydrophobicContact CB-CB 4.22Å; C422-L447 PolarHBondContact N-O 3.33Å; C422-V449 PolarHBondContact O-N 2.75Å
423F98.8Very high96.3Very high0 Ų034.7 Ų34.70%017%0.172CC..EExtended strand (participates in β ladder)trans-94.1129.1174.6-76.5-101.1000110.5L374 I375 M376 I377 V421 V449 I451 L490 F493L374-F423 HydrophobicContact CD2-CE2 4.2Å; I375-F423 PolarHBondContact O-N 2.99Å; M376-F423 HydrophobicContact CE-CB 3.55Å; M376-F423 HydrophobicContact CE-CD1 3.99Å; M376-F423 HydrophobicContact CE-CD2 4.05Å; M376-F423 HydrophobicContact CE-CG 3.59Å; M376-F423 HydrophobicContact SD-CB 3.7Å; M376-F423 HydrophobicContact SD-CD2 3.58Å; M376-F423 VanDerWaalsContact SD-CD2 3.58Å; M376-F423 HydrophobicContact SD-CE2 4.39Å; M376-F423 HydrophobicContact SD-CG 3.71Å; I377-F423 PolarHBondContact N-O 3Å; V421-F423 HydrophobicContact CG1-CD2 4.05Å; V421-F423 HydrophobicContact CG1-CE2 3.54Å; V421-F423 HydrophobicContact CG1-CZ 4.31Å; F423-V449 CarbonylContact C-O 3.52Å; F423-V449 WeakPolarHBondContact CA-O 3.45Å; F423-V449 HydrophobicContact CD1-CB 3.83Å; F423-V449 HydrophobicContact CD1-CG1 3.77Å; F423-V449 HydrophobicContact CE1-CB 3.86Å; F423-V449 HydrophobicContact CE1-CG1 3.53Å; F423-V449 HydrophobicContact CE1-CG2 4.26Å; F423-V449 HydrophobicContact CE2-CG2 4.34Å; F423-V449 HydrophobicContact CG-CB 4.16Å; F423-V449 HydrophobicContact CZ-CB 4.21Å; F423-V449 HydrophobicContact CZ-CG1 4.18Å; F423-V449 HydrophobicContact CZ-CG2 4.12Å; F423-I451 HydrophobicContact CD1-CD1 4.14Å; F423-I451 HydrophobicContact CD1-CG1 3.93Å; F423-I451 HydrophobicContact CE1-CD1 4.32Å; F423-L490 HydrophobicContact CD1-CD2 4.25Å; F423-F493 HydrophobicContact CE1-CD1 4.28Å; F423-F493 HydrophobicContact CE1-CD2 4.35Å; F423-F493 HydrophobicContact CE1-CE1 4.39Å; F423-F493 HydrophobicContact CE1-CE2 4.46Å; F423-F493 HydrophobicContact CE1-CG 4.27Å; F423-F493 HydrophobicContact CE1-CZ 4.48Å; F423-F493 HydrophobicContact CE2-CE1 4.02Å; F423-F493 AromaticContact CE2-CZ 3.96Å; F423-F493 HydrophobicContact CE2-CZ 3.96Å; F423-F493 AromaticContact CZ-CD1 3.88Å; F423-F493 HydrophobicContact CZ-CD1 3.88Å; F423-F493 AromaticContact CZ-CD2 3.97Å; F423-F493 HydrophobicContact CZ-CD2 3.97Å; F423-F493 AromaticContact CZ-CE1 3.55Å; F423-F493 HydrophobicContact CZ-CE1 3.55Å; F423-F493 AromaticContact CZ-CE2 3.65Å; F423-F493 HydrophobicContact CZ-CE2 3.65Å; F423-F493 HydrophobicContact CZ-CG 4.08Å; F423-F493 AromaticContact CZ-CZ 3.43Å; F423-F493 HydrophobicContact CZ-CZ 3.43Å; F423-F493 VanDerWaalsContact CZ-CZ 3.43Å
424F98.8Very high96.3Very high0 Ų029.7 Ų29.70%015%0.145CC..EExtended strand (participates in β ladder)trans-111.9105.7177.3-59.4-81.9000109.2I377 C422 T434 A437 L438 C441 T448 V449 I451 I459 T463I377-F424 HydrophobicContact CB-CD1 4.14Å; I377-F424 HydrophobicContact CB-CE1 4.19Å; I377-F424 HydrophobicContact CD1-CD1 4.39Å; I377-F424 HydrophobicContact CD1-CE1 3.6Å; I377-F424 HydrophobicContact CD1-CZ 4.04Å; I377-F424 HydrophobicContact CG1-CE1 4.43Å; I377-F424 HydrophobicContact CG2-CD1 4.38Å; I377-F424 HydrophobicContact CG2-CE1 4.43Å; C422-F424 HydrophobicContact CB-CE2 3.59Å; C422-F424 HydrophobicContact CB-CZ 3.58Å; C422-F424 WeakPolarHBondContact O-CD2 3.5Å; C422-F424 VanDerWaalsContact O-CE2 3.3Å; C422-F424 WeakPolarHBondContact O-CE2 3.46Å; F424-T434 HydrophobicContact CB-CG2 4.1Å; F424-T434 HydrophobicContact CD1-CG2 4.15Å; F424-A437 VanDerWaalsContact CE1-C 3.49Å; F424-A437 HydrophobicContact CE1-CB 4.18Å; F424-L438 HydrophobicContact CD1-CB 3.77Å; F424-L438 HydrophobicContact CD2-CB 4.23Å; F424-L438 HydrophobicContact CD2-CD1 3.59Å; F424-L438 HydrophobicContact CD2-CG 4.43Å; F424-L438 HydrophobicContact CE1-CB 3.77Å; F424-L438 HydrophobicContact CE2-CB 4.21Å; F424-L438 HydrophobicContact CE2-CD1 3.42Å; F424-L438 VanDerWaalsContact CE2-CD1 3.42Å; F424-L438 HydrophobicContact CE2-CG 4.42Å; F424-L438 HydrophobicContact CG-CB 4.02Å; F424-L438 HydrophobicContact CG-CD1 4.22Å; F424-L438 VanDerWaalsContact CZ-CA 3.4Å; F424-L438 HydrophobicContact CZ-CB 4Å; F424-L438 HydrophobicContact CZ-CD1 3.94Å; F424-C441 HydrophobicContact CZ-CB 3.85Å; F424-T448 HydrophobicContact CE2-CG2 3.88Å; F424-V449 PolarHBondContact N-O 2.98Å; F424-I451 PolarHBondContact O-N 3.32Å; F424-I459 HydrophobicContact CB-CG2 3.9Å; F424-T463 HydrophobicContact CD2-CG2 4.15Å
425I98.6Very high96.1Very high0 Ų029.8 Ų29.80%015%0.145CC..EExtended strand (participates in β ladder)trans-101.5114.1-174.2-52.8158.3000108.6M376 I377 S382 A386 I451 Q486 L490M376-I425 HydrophobicContact CB-CD1 4.49Å; M376-I425 HydrophobicContact CE-CD1 4.07Å; I377-I425 PolarHBondContact O-N 2.71Å; S382-I425 VanDerWaalsContact CB-O 3.27Å; S382-I425 WeakPolarHBondContact CB-O 3.43Å; A386-I425 HydrophobicContact CB-CD1 3.66Å; I425-I451 HydrophobicContact CG1-CB 4.15Å; I425-I451 HydrophobicContact CG1-CG1 4.31Å; I425-I451 HydrophobicContact CG2-CB 4.4Å; I425-I451 HydrophobicContact CG2-CG2 4.38Å; I425-Q486 HydrophobicContact CG2-CB 4.3Å; I425-Q486 VanDerWaalsContact CG2-CD 3.47Å; I425-Q486 HydrophobicContact CG2-CG 3.82Å; I425-L490 HydrophobicContact CD1-CD1 3.88Å
426S98Very high95.9Very high0 Ų029.4 Ų29.40%014%0.137CC..EExtended strand (participates in β ladder)trans-153.5122-179.7177.30000111S428 G429 T431 I451 T452S426-S428 VanDerWaalsContact C-N 3.34Å; S426-S428 PolarHBondContact O-N 3.4Å; S426-S428 PolarHBondContact OG-OG 3.22Å; S426-G429 PolarHBondContact O-N 2.56Å; S426-G429 PolarHBondContact OG-N 3.07Å; S426-T431 PolarHBondContact OG-OG1 3.41Å; S426-T431 VanDerWaalsContact OG-OG1 3.1Å; S426-I451 PolarHBondContact N-O 3.2Å; S426-T452 VanDerWaalsContact O-CA 3.26Å; S426-T452 WeakPolarHBondContact O-CA 3.47Å
427Q95.8Very high95.9Very high20 Ų2028.8 Ų28.89%0.09313%0.134CC..SBendtrans-56.9-48.6175.3-177.6-77.3-54.900111.3N453 T454 A482Q427-N453 HydrophobicContact CG-CB 4.11Å; Q427-N453 CarbonylContact O-C 3.58Å; Q427-N453 WeakPolarHBondContact O-CA 3.44Å; Q427-N453 WeakPolarHBondContact O-CB 3.39Å; Q427-N453 PolarHBondContact O-N 3.45Å; Q427-N453 VanDerWaalsContact O-N 3.12Å; Q427-T454 PolarHBondContact O-OG1 3.32Å; Q427-A482 HydrophobicContact CB-CB 4.03Å; Q427-A482 HydrophobicContact CG-CB 3.51Å
428S92.7Very high95.9Very high11 Ų1123.3 Ų23.38%0.07711%0.109CC..SBendtrans-77.1-28.3-177.561.60000113.1S426 E430 T454 S457S426-S428 VanDerWaalsContact C-N 3.34Å; S426-S428 PolarHBondContact O-N 3.4Å; S426-S428 PolarHBondContact OG-OG 3.22Å; S428-E430 PolarHBondContact O-N 3.27Å; S428-E430 PolarHBondContact OG-N 3.17Å; S428-T454 WeakPolarHBondContact O-CB 3.34Å; S428-S457 WeakPolarHBondContact O-CB 3.01Å
429G93.9Very high95.9Very high0 Ų016.8 Ų16.80%09%0.085CC..SBendtrans68.413-169.700000114.1S426 S458 I459S426-G429 PolarHBondContact O-N 2.56Å; S426-G429 PolarHBondContact OG-N 3.07Å; G429-S458 PolarHBondContact O-N 2.74Å; G429-I459 WeakPolarHBondContact O-CB 3.37Å; G429-I459 WeakPolarHBondContact O-CG1 3.49Å; G429-I459 PolarHBondContact O-N 3.08Å
430E89.5Confident95.9Very high15 Ų1515.3 Ų15.37%0.078%0.075CC..  trans-129.47.2-174.7-58.7-62162.300112.8M1 P207 S428 A432 S457 S458 T684M1-E430 HydrophobicContact CE-CB 4.08Å; M1-E430 HydrophobicContact CE-CG 4.4Å; P207-E430 HydrophobicContact CG-CG 3.85Å; S428-E430 PolarHBondContact O-N 3.27Å; S428-E430 PolarHBondContact OG-N 3.17Å; E430-A432 PolarHBondContact O-N 2.85Å; E430-S457 WeakPolarHBondContact OE1-CA 2.94Å; E430-S457 WeakPolarHBondContact OE1-CB 3.46Å; E430-S458 VanDerWaalsContact CD-OG 3.32Å; E430-S458 PolarHBondContact OE1-N 3.25Å; E430-S458 PolarHBondContact OE1-OG 3.14Å; E430-S458 VanDerWaalsContact OE2-CB 3.27Å; E430-S458 WeakPolarHBondContact OE2-CB 3.37Å; E430-S458 PolarHBondContact OE2-OG 3.17Å; E430-T684 HydrophobicContact CB-CG2 3.84Å; E430-T684 WeakPolarHBondContact O-CG2 3.36Å
431T92.6Very high95.9Very high23 Ų2315.1 Ų15.114%0.1417%0.074CC..  trans-62.7121.2-179.8-54.10000110.2C379 S426 D433 T434 L435 V683C379-T431 HydrophobicContact CB-CG2 4.25Å; S426-T431 PolarHBondContact OG-OG1 3.41Å; S426-T431 VanDerWaalsContact OG-OG1 3.1Å; T431-D433 PolarHBondContact O-N 2.82Å; T431-T434 PolarHBondContact O-N 3.33Å; T431-T434 VanDerWaalsContact O-N 3.16Å; T431-L435 WeakPolarHBondContact O-CB 3.32Å; T431-L435 PolarHBondContact O-N 3.18Å; T431-V683 VanDerWaalsContact CA-O 3.29Å; T431-V683 WeakPolarHBondContact CA-O 3.49Å
432A87.9Confident95.8Very high13 Ų1319.5 Ų19.511%0.1079%0.093CC..Hα-helixtrans-54.6-58.9-169.600000113E430 T434 L435 M436 V683E430-A432 PolarHBondContact O-N 2.85Å; A432-T434 VanDerWaalsContact C-N 3.26Å; A432-T434 PolarHBondContact O-N 2.98Å; A432-L435 PolarHBondContact O-N 3Å; A432-L435 VanDerWaalsContact O-N 3.11Å; A432-M436 WeakPolarHBondContact O-CG 3.22Å; A432-M436 PolarHBondContact O-N 3.23Å; A432-V683 PolarHBondContact N-O 3.46Å; A432-V683 VanDerWaalsContact N-O 3.08Å
433D94.6Very high95.7Very high41 Ų4125.9 Ų25.922%0.21913%0.127CC..Hα-helixtrans-57.6-38.9179.6-59.9-36.4000112.6A406 L410 T431 M436 A437A406-D433 HydrophobicContact CB-CB 3.71Å; L410-D433 HydrophobicContact CD1-CB 4.48Å; T431-D433 PolarHBondContact O-N 2.82Å; D433-M436 PolarHBondContact O-N 2.97Å; D433-A437 VanDerWaalsContact O-CB 3.27Å; D433-A437 WeakPolarHBondContact O-CB 3.47Å; D433-A437 PolarHBondContact O-N 2.98Å
434T97.4Very high95.6Very high0 Ų030.1 Ų30.10%014%0.143CC..Hα-helixtrans-69.8-38.2-179.8-49.10000111.3F424 T431 A432 A437 L438 I459F424-T434 HydrophobicContact CB-CG2 4.1Å; F424-T434 HydrophobicContact CD1-CG2 4.15Å; T431-T434 PolarHBondContact O-N 3.33Å; T431-T434 VanDerWaalsContact O-N 3.16Å; A432-T434 VanDerWaalsContact C-N 3.26Å; A432-T434 PolarHBondContact O-N 2.98Å; T434-A437 PolarHBondContact O-N 3.46Å; T434-L438 PolarHBondContact O-N 3.42Å; T434-I459 HydrophobicContact CG2-CD1 3.75Å
435L94.9Very high95.5Very high10 Ų1032.1 Ų32.15%0.05216%0.163CC..Hα-helixtrans-68.5-39.9175-179.461.2000111.6T431 A432 L438 R439 I459T431-L435 WeakPolarHBondContact O-CB 3.32Å; T431-L435 PolarHBondContact O-N 3.18Å; A432-L435 PolarHBondContact O-N 3Å; A432-L435 VanDerWaalsContact O-N 3.11Å; L435-L438 HydrophobicContact CD1-CD2 4.16Å; L435-L438 WeakPolarHBondContact O-CB 3.19Å; L435-L438 PolarHBondContact O-N 2.92Å; L435-R439 PolarHBondContact O-N 3.44Å; L435-I459 HydrophobicContact CB-CG1 4.3Å; L435-I459 HydrophobicContact CD1-CG1 3.99Å
436M94Very high95.5Very high77 Ų7732.3 Ų32.338%0.37917%0.165SC..Hα-helixtrans-67-39.7174.8-66.4-54.2172.900111.4L410 A432 D433 L438 R439 Y440L410-M436 HydrophobicContact CD1-CB 3.71Å; L410-M436 HydrophobicContact CD2-CB 4.43Å; A432-M436 WeakPolarHBondContact O-CG 3.22Å; A432-M436 PolarHBondContact O-N 3.23Å; D433-M436 PolarHBondContact O-N 2.97Å; M436-L438 VanDerWaalsContact C-N 3.28Å; M436-L438 PolarHBondContact O-N 3.47Å; M436-R439 PolarHBondContact O-N 2.66Å; M436-Y440 VanDerWaalsContact O-CB 3.29Å; M436-Y440 WeakPolarHBondContact O-CB 3.27Å; M436-Y440 PolarHBondContact O-N 3.26Å
437A97.9Very high95.5Very high0 Ų033 Ų330%017%0.168CC..Hα-helixtrans-62.9-34.8172.500000112.2I377 A406 F409 L410 F424 D433 T434 Y440 C441I377-A437 HydrophobicContact CD1-CB 4.48Å; I377-A437 HydrophobicContact CG2-CB 3.84Å; A406-A437 HydrophobicContact CB-CB 4.37Å; F409-A437 HydrophobicContact CD1-CB 3.96Å; F409-A437 HydrophobicContact CE1-CB 4.24Å; L410-A437 HydrophobicContact CD2-CB 4.37Å; L410-A437 HydrophobicContact CG-CB 4.35Å; F424-A437 VanDerWaalsContact CE1-C 3.49Å; F424-A437 HydrophobicContact CE1-CB 4.18Å; D433-A437 VanDerWaalsContact O-CB 3.27Å; D433-A437 WeakPolarHBondContact O-CB 3.47Å; D433-A437 PolarHBondContact O-N 2.98Å; T434-A437 PolarHBondContact O-N 3.46Å; A437-Y440 WeakPolarHBondContact O-CB 3.41Å; A437-Y440 PolarHBondContact O-N 3.02Å; A437-C441 PolarHBondContact O-N 3.1Å; A437-C441 PolarHBondContact O-SG 2.83Å
438L98.3Very high95.6Very high0 Ų032 Ų320%016%0.164CC..Hα-helixtrans-60.2-54.8172.4167.662.4000111.4F424 T434 L435 M436 Y440 C441 K442 T448 I459 E462 T463F424-L438 HydrophobicContact CD1-CB 3.77Å; F424-L438 HydrophobicContact CD2-CB 4.23Å; F424-L438 HydrophobicContact CD2-CD1 3.59Å; F424-L438 HydrophobicContact CD2-CG 4.43Å; F424-L438 HydrophobicContact CE1-CB 3.77Å; F424-L438 HydrophobicContact CE2-CB 4.21Å; F424-L438 HydrophobicContact CE2-CD1 3.42Å; F424-L438 VanDerWaalsContact CE2-CD1 3.42Å; F424-L438 HydrophobicContact CE2-CG 4.42Å; F424-L438 HydrophobicContact CG-CB 4.02Å; F424-L438 HydrophobicContact CG-CD1 4.22Å; F424-L438 VanDerWaalsContact CZ-CA 3.4Å; F424-L438 HydrophobicContact CZ-CB 4Å; F424-L438 HydrophobicContact CZ-CD1 3.94Å; T434-L438 PolarHBondContact O-N 3.42Å; L435-L438 HydrophobicContact CD1-CD2 4.16Å; L435-L438 WeakPolarHBondContact O-CB 3.19Å; L435-L438 PolarHBondContact O-N 2.92Å; M436-L438 VanDerWaalsContact C-N 3.28Å; M436-L438 PolarHBondContact O-N 3.47Å; L438-Y440 VanDerWaalsContact C-N 3.28Å; L438-Y440 PolarHBondContact O-N 2.93Å; L438-C441 PolarHBondContact O-N 2.57Å; L438-K442 WeakPolarHBondContact O-CB 3.26Å; L438-K442 PolarHBondContact O-N 2.53Å; L438-T448 HydrophobicContact CD1-CG2 3.66Å; L438-I459 HydrophobicContact CD2-CB 4.38Å; L438-I459 HydrophobicContact CD2-CG1 4.29Å; L438-I459 HydrophobicContact CD2-CG2 4.33Å; L438-E462 HydrophobicContact CD2-CB 3.67Å; L438-T463 HydrophobicContact CD1-CG2 3.62Å; L438-T463 HydrophobicContact CD2-CG2 3.79Å; L438-T463 HydrophobicContact CG-CG2 4.38Å
439R96.3Very high95.9Very high77 Ų7731.5 Ų31.529%0.29116%0.16SC..Hα-helixtrans-59-43178.2-68170.9179.6177.1-2.9111.1L435 M436 C441 K442 D443 E462L435-R439 PolarHBondContact O-N 3.44Å; M436-R439 PolarHBondContact O-N 2.66Å; R439-C441 PolarHBondContact O-N 3.13Å; R439-K442 PolarHBondContact O-N 3.28Å; R439-D443 VanDerWaalsContact O-CG 3.3Å; R439-D443 PolarHBondContact O-N 3Å; R439-E462 VanDerWaalsContact CG-OE2 3.3Å; R439-E462 WeakPolarHBondContact CG-OE2 3.38Å; R439-E462 IonicContact CZ-OE1 3.71Å; R439-E462 IonicContact CZ-OE2 3.84Å; R439-E462 IonicContact NE-OE1 3.83Å; R439-E462 PolarHBondContact NE-OE1 2.85Å; R439-E462 IonicContact NE-OE2 2.77Å; R439-E462 PolarHBondContact NE-OE2 2.66Å; R439-E462 IonicContact NH2-OE1 3.61Å; R439-E462 PolarHBondContact NH2-OE1 2.58Å; R439-E462 IonicContact NH2-OE2 3.63Å
440Y97.8Very high96.1Very high28 Ų2831.5 Ų31.511%0.1116%0.161CC..Hα-helixtrans-54.2-51.2174.1-179.7-80.7000111.9F409 L410 N413 T414 V416 M436 A437 L438 D443 R444F409-Y440 AromaticContact CE1-CD1 3.7Å; F409-Y440 HydrophobicContact CE1-CD1 3.7Å; F409-Y440 HydrophobicContact CE1-CE1 4.06Å; F409-Y440 HydrophobicContact CE1-CG 4.44Å; F409-Y440 HydrophobicContact CZ-CD1 4.23Å; F409-Y440 HydrophobicContact CZ-CE1 4.31Å; L410-Y440 HydrophobicContact CD2-CD2 4.1Å; L410-Y440 HydrophobicContact CD2-CG 4.18Å; N413-Y440 PolarHBondContact O-OH 2.88Å; T414-Y440 WeakPolarHBondContact O-CE1 3.45Å; T414-Y440 PolarHBondContact O-OH 2.83Å; V416-Y440 HydrophobicContact CG2-CD1 4.38Å; V416-Y440 HydrophobicContact CG2-CE1 3.99Å; M436-Y440 VanDerWaalsContact O-CB 3.29Å; M436-Y440 WeakPolarHBondContact O-CB 3.27Å; M436-Y440 PolarHBondContact O-N 3.26Å; A437-Y440 WeakPolarHBondContact O-CB 3.41Å; A437-Y440 PolarHBondContact O-N 3.02Å; L438-Y440 VanDerWaalsContact C-N 3.28Å; L438-Y440 PolarHBondContact O-N 2.93Å; Y440-D443 PolarHBondContact O-N 2.89Å; Y440-R444 VanDerWaalsContact CD2-CZ 3.47Å; Y440-R444 WeakPolarHBondContact O-CD 3.43Å; Y440-R444 PolarHBondContact O-NH1 3.39Å; Y440-R444 PolarHBondContact OH-NE 2.87Å; Y440-R444 PolarHBondContact OH-NH2 3.12Å
441C98.2Very high96.6Very high0 Ų030.9 Ų30.90%016%0.158CC..Hα-helixtrans-67.6-38.4-178.7-65.40000112.3V416 C422 F424 A437 L438 R439 D443 R444 G445 A446V416-C441 HydrophobicContact CG1-CB 4.34Å; C422-C441 HydrophobicContact CB-CB 4.22Å; F424-C441 HydrophobicContact CZ-CB 3.85Å; A437-C441 PolarHBondContact O-N 3.1Å; A437-C441 PolarHBondContact O-SG 2.83Å; L438-C441 PolarHBondContact O-N 2.57Å; R439-C441 PolarHBondContact O-N 3.13Å; C441-D443 VanDerWaalsContact C-N 3.33Å; C441-D443 PolarHBondContact O-N 3.45Å; C441-R444 PolarHBondContact O-N 3.09Å; C441-G445 PolarHBondContact O-N 3.01Å; C441-A446 HydrophobicContact CB-CB 4.49Å; C441-A446 PolarHBondContact O-N 3.35Å
442K96.5Very high96.8Very high95 Ų9529.9 Ų29.941%0.41315%0.152SC..Hα-helixtrans-62.4-40178-169.9172169.1170.30111.7L438 R439 R444 G445 T448 E462L438-K442 WeakPolarHBondContact O-CB 3.26Å; L438-K442 PolarHBondContact O-N 2.53Å; R439-K442 PolarHBondContact O-N 3.28Å; K442-R444 PolarHBondContact O-N 3.03Å; K442-G445 WeakPolarHBondContact O-CA 3.46Å; K442-G445 PolarHBondContact O-N 2.82Å; K442-T448 HydrophobicContact CB-CG2 4.36Å; K442-E462 PolarHBondContact NZ-O 2.67Å
443D96.3Very high97.2Very high134 Ų13429.7 Ų29.772%0.71715%0.149SC*.Hα-helixtrans-62.7-24.7173.9-69.3-17.9000113.2R439 Y440 C441 G445R439-D443 VanDerWaalsContact O-CG 3.3Å; R439-D443 PolarHBondContact O-N 3Å; Y440-D443 PolarHBondContact O-N 2.89Å; C441-D443 VanDerWaalsContact C-N 3.33Å; C441-D443 PolarHBondContact O-N 3.45Å; D443-G445 VanDerWaalsContact C-N 3.33Å
444R97.6Very high96.9Very high89 Ų8930 Ų3034%0.33615%0.152SC..THydrogen-bonded Turntrans-86.4-5173.2-74.885.9179.8138.67.7112.9V416 R418 Y440 C441 K442V416-R444 HydrophobicContact CB-CB 4.04Å; V416-R444 HydrophobicContact CB-CG 4.11Å; V416-R444 HydrophobicContact CG1-CB 3.95Å; R418-R444 WeakPolarHBondContact CG-O 3.26Å; Y440-R444 VanDerWaalsContact CD2-CZ 3.47Å; Y440-R444 WeakPolarHBondContact O-CD 3.43Å; Y440-R444 PolarHBondContact O-NH1 3.39Å; Y440-R444 PolarHBondContact OH-NE 2.87Å; Y440-R444 PolarHBondContact OH-NH2 3.12Å; C441-R444 PolarHBondContact O-N 3.09Å; K442-R444 PolarHBondContact O-N 3.03Å
445G96.7Very high96.3Very high41 Ų4134 Ų3442%0.42318%0.177SC..THydrogen-bonded Turntrans74.524.8179.200000114.3R418 C441 K442 D443R418-G445 WeakPolarHBondContact CA-O 3.34Å; C441-G445 PolarHBondContact O-N 3.01Å; K442-G445 WeakPolarHBondContact O-CA 3.46Å; K442-G445 PolarHBondContact O-N 2.82Å; D443-G445 VanDerWaalsContact C-N 3.33Å
446A98.1Very high95.6Very high5 Ų534.7 Ų34.74%0.04119%0.186CC..  trans-73151.1168.900000110.5V416 D420 C441V416-A446 HydrophobicContact CG1-CB 3.59Å; D420-A446 HydrophobicContact CB-CB 4.25Å; C441-A446 HydrophobicContact CB-CB 4.49Å; C441-A446 PolarHBondContact O-N 3.35Å
447L98.5Very high95.3Very high13 Ų1331.1 Ų31.17%0.06817%0.169CC..EExtended strand (participates in β ladder)trans-75.2129.8172.5-175.5154.4000109.4H364 E367 I368 D420 V421 C422 V449H364-L447 HydrophobicContact CB-CD1 4.44Å; E367-L447 HydrophobicContact CB-CD1 3.92Å; E367-L447 HydrophobicContact CG-CD1 3.62Å; I368-L447 HydrophobicContact CD1-CD2 4.23Å; I368-L447 HydrophobicContact CG1-CD1 4.13Å; I368-L447 HydrophobicContact CG1-CD2 3.79Å; D420-L447 PolarHBondContact O-N 3.34Å; V421-L447 WeakPolarHBondContact CA-O 3.45Å; V421-L447 HydrophobicContact CG1-CD2 3.99Å; V421-L447 HydrophobicContact CG2-CB 4.25Å; V421-L447 HydrophobicContact CG2-CD2 4.27Å; C422-L447 PolarHBondContact N-O 3.33Å; L447-V449 HydrophobicContact CD2-CG2 3.62Å
448T98.7Very high94.8Very high0 Ų031.2 Ų31.20%017%0.169CC..EExtended strand (participates in β ladder)trans-109.8130.9-17261.20000112.1F424 L438 K442 T463 D464 C465F424-T448 HydrophobicContact CE2-CG2 3.88Å; L438-T448 HydrophobicContact CD1-CG2 3.66Å; K442-T448 HydrophobicContact CB-CG2 4.36Å; T448-T463 WeakPolarHBondContact OG1-CA 3.39Å; T448-D464 PolarHBondContact N-OD2 3.37Å; T448-D464 PolarHBondContact O-N 3.23Å; T448-D464 VanDerWaalsContact OG1-CG 3.3Å; T448-D464 PolarHBondContact OG1-N 2.92Å; T448-D464 PolarHBondContact OG1-OD2 3.15Å; T448-C465 PolarHBondContact O-N 3.02Å
449V98.8Very high94.7Very high0 Ų031.2 Ų31.20%017%0.169CC..EExtended strand (participates in β ladder)trans-123.7117.3-178.1-171.40000110.8L361 I368 V421 C422 F423 F424 L447 I451 C465L361-V449 HydrophobicContact CD2-CG1 3.63Å; I368-V449 HydrophobicContact CD1-CG2 4.35Å; V421-V449 HydrophobicContact CG1-CG2 3.7Å; C422-V449 PolarHBondContact O-N 2.75Å; F423-V449 CarbonylContact C-O 3.52Å; F423-V449 WeakPolarHBondContact CA-O 3.45Å; F423-V449 HydrophobicContact CD1-CB 3.83Å; F423-V449 HydrophobicContact CD1-CG1 3.77Å; F423-V449 HydrophobicContact CE1-CB 3.86Å; F423-V449 HydrophobicContact CE1-CG1 3.53Å; F423-V449 HydrophobicContact CE1-CG2 4.26Å; F423-V449 HydrophobicContact CE2-CG2 4.34Å; F423-V449 HydrophobicContact CG-CB 4.16Å; F423-V449 HydrophobicContact CZ-CB 4.21Å; F423-V449 HydrophobicContact CZ-CG1 4.18Å; F423-V449 HydrophobicContact CZ-CG2 4.12Å; F424-V449 PolarHBondContact N-O 2.98Å; L447-V449 HydrophobicContact CD2-CG2 3.62Å; V449-I451 HydrophobicContact CG1-CD1 4.35Å; V449-C465 CarbonylContact C-O 3.54Å; V449-C465 VanDerWaalsContact CA-O 3.29Å; V449-C465 WeakPolarHBondContact CA-O 3.15Å
450G98.5Very high94.5Very high1 Ų130 Ų301%0.0117%0.172CC..EExtended strand (participates in β ladder)trans-88.7127.1176.400000112.9C465 G466 V467G450-C465 PolarHBondContact N-O 3.16Å; G450-G466 CarbonylContact O-C 3.52Å; G450-G466 WeakPolarHBondContact O-CA 3.32Å; G450-V467 PolarHBondContact O-N 3.19Å
451I98.6Very high94Very high1 Ų133.3 Ų33.31%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-112.496.2168.8-53.1-62.2000108.1F423 F424 I425 S426 V449 V467 I469 Q486 L490F423-I451 HydrophobicContact CD1-CD1 4.14Å; F423-I451 HydrophobicContact CD1-CG1 3.93Å; F423-I451 HydrophobicContact CE1-CD1 4.32Å; F424-I451 PolarHBondContact O-N 3.32Å; I425-I451 HydrophobicContact CG1-CB 4.15Å; I425-I451 HydrophobicContact CG1-CG1 4.31Å; I425-I451 HydrophobicContact CG2-CB 4.4Å; I425-I451 HydrophobicContact CG2-CG2 4.38Å; S426-I451 PolarHBondContact N-O 3.2Å; V449-I451 HydrophobicContact CG1-CD1 4.35Å; I451-V467 HydrophobicContact CD1-CB 3.77Å; I451-V467 HydrophobicContact CD1-CG2 3.95Å; I451-I469 HydrophobicContact CG2-CG2 3.57Å; I451-Q486 HydrophobicContact CG2-CG 4.41Å; I451-L490 HydrophobicContact CG1-CD2 4.19Å
452T97.7Very high93.7Very high3 Ų335.4 Ų35.42%0.01819%0.194CC..EExtended strand (participates in β ladder)trans-128161.9-168.365.40000113.5S426 I459 V467 H468 I469S426-T452 VanDerWaalsContact O-CA 3.26Å; S426-T452 WeakPolarHBondContact O-CA 3.47Å; T452-I459 HydrophobicContact CG2-CB 4.16Å; T452-I459 HydrophobicContact CG2-CG2 3.77Å; T452-V467 PolarHBondContact N-O 2.99Å; T452-V467 VanDerWaalsContact N-O 3.16Å; T452-H468 CarbonylContact O-C 3.42Å; T452-H468 VanDerWaalsContact O-CA 3.27Å; T452-H468 WeakPolarHBondContact O-CA 3.36Å; T452-I469 PolarHBondContact O-N 3.37Å
453N95.9Very high93.8Very high9 Ų931.5 Ų31.55%0.04818%0.178CC..SBendtrans-120.314.6174.5-162.142.6000112.6Q427 H468 I469 N470 A471 G472Q427-N453 HydrophobicContact CG-CB 4.11Å; Q427-N453 CarbonylContact O-C 3.58Å; Q427-N453 WeakPolarHBondContact O-CA 3.44Å; Q427-N453 WeakPolarHBondContact O-CB 3.39Å; Q427-N453 PolarHBondContact O-N 3.45Å; Q427-N453 VanDerWaalsContact O-N 3.12Å; N453-H468 PolarHBondContact O-NE2 3.13Å; N453-I469 HydrophobicContact CB-CD1 3.61Å; N453-I469 HydrophobicContact CB-CG1 3.59Å; N453-I469 WeakPolarHBondContact OD1-CG1 3.42Å; N453-N470 PolarHBondContact OD1-N 3.41Å; N453-A471 PolarHBondContact OD1-N 3.32Å; N453-G472 PolarHBondContact ND2-O 3.04Å
454T89.1Confident93.9Very high47 Ų4728.8 Ų28.829%0.28816%0.164SC..SBendtrans-133.5111.2-179.6-59.70000108.9Q427 S428 S457Q427-T454 PolarHBondContact O-OG1 3.32Å; S428-T454 WeakPolarHBondContact O-CB 3.34Å; T454-S457 WeakPolarHBondContact O-CB 2.75Å; T454-S457 PolarHBondContact O-N 2.74Å; T454-S457 PolarHBondContact O-OG 3.46Å
455V83.8Confident93.9Very high84 Ų8425 Ų2551%0.50915%0.151SC..THydrogen-bonded Turntrans-61.9136.3177.3-178.60000109.5S457V455-S457 PolarHBondContact O-N 3.08Å
456G80.1Confident93.9Very high24 Ų2424.1 Ų24.125%0.24714%0.142CC..THydrogen-bonded Turntrans745.4178.200000115.2R461G456-R461 PolarHBondContact O-NE 3.27Å
457S87.8Confident93.9Very high2 Ų224.3 Ų24.31%0.01414%0.142CC..  trans-62.1158.9173.855.40000112.6S428 E430 T454 V455 I459 C460 R461S428-S457 WeakPolarHBondContact O-CB 3.01Å; E430-S457 WeakPolarHBondContact OE1-CA 2.94Å; E430-S457 WeakPolarHBondContact OE1-CB 3.46Å; T454-S457 WeakPolarHBondContact O-CB 2.75Å; T454-S457 PolarHBondContact O-N 2.74Å; T454-S457 PolarHBondContact O-OG 3.46Å; V455-S457 PolarHBondContact O-N 3.08Å; S457-I459 PolarHBondContact O-N 3.19Å; S457-C460 WeakPolarHBondContact O-CB 3.42Å; S457-C460 PolarHBondContact O-N 3.13Å; S457-C460 VanDerWaalsContact O-N 3.08Å; S457-C460 VanDerWaalsContact OG-CB 3.28Å; S457-C460 WeakPolarHBondContact OG-CB 3.14Å; S457-R461 PolarHBondContact O-N 3.01Å
458S88.2Confident93.8Very high2 Ų226.2 Ų26.21%0.01415%0.151CC..Hα-helixtrans-56.2-48.8-178.1-55.50000112.2G429 E430 C460 R461 E462G429-S458 PolarHBondContact O-N 2.74Å; E430-S458 VanDerWaalsContact CD-OG 3.32Å; E430-S458 PolarHBondContact OE1-N 3.25Å; E430-S458 PolarHBondContact OE1-OG 3.14Å; E430-S458 VanDerWaalsContact OE2-CB 3.27Å; E430-S458 WeakPolarHBondContact OE2-CB 3.37Å; E430-S458 PolarHBondContact OE2-OG 3.17Å; S458-C460 VanDerWaalsContact C-N 3.32Å; S458-C460 PolarHBondContact O-N 2.84Å; S458-R461 PolarHBondContact O-N 3.29Å; S458-E462 WeakPolarHBondContact O-CB 3.49Å; S458-E462 WeakPolarHBondContact O-CG 3.23Å; S458-E462 PolarHBondContact O-N 2.84Å
459I94.9Very high93.8Very high0 Ų026.2 Ų26.20%015%0.151CC..Hα-helixtrans-60.1-42.5175.5-68.5172.3000111F424 G429 T434 L435 L438 T452 S457 R461 E462 T463F424-I459 HydrophobicContact CB-CG2 3.9Å; G429-I459 WeakPolarHBondContact O-CB 3.37Å; G429-I459 WeakPolarHBondContact O-CG1 3.49Å; G429-I459 PolarHBondContact O-N 3.08Å; T434-I459 HydrophobicContact CG2-CD1 3.75Å; L435-I459 HydrophobicContact CB-CG1 4.3Å; L435-I459 HydrophobicContact CD1-CG1 3.99Å; L438-I459 HydrophobicContact CD2-CB 4.38Å; L438-I459 HydrophobicContact CD2-CG1 4.29Å; L438-I459 HydrophobicContact CD2-CG2 4.33Å; T452-I459 HydrophobicContact CG2-CB 4.16Å; T452-I459 HydrophobicContact CG2-CG2 3.77Å; S457-I459 PolarHBondContact O-N 3.19Å; I459-R461 VanDerWaalsContact C-N 3.29Å; I459-R461 PolarHBondContact O-N 3.42Å; I459-E462 PolarHBondContact O-N 3.26Å; I459-T463 HydrophobicContact CG2-CG2 4.11Å; I459-T463 WeakPolarHBondContact O-CG2 3.33Å; I459-T463 PolarHBondContact O-N 3.2Å; I459-T463 PolarHBondContact O-OG1 3.5Å
460C92.2Very high93.6Very high52 Ų5229.1 Ų29.135%0.35117%0.167SC..Hα-helixtrans-62.3-34.9179.3-175.70000113.1S457 S458S457-C460 WeakPolarHBondContact O-CB 3.42Å; S457-C460 PolarHBondContact O-N 3.13Å; S457-C460 VanDerWaalsContact O-N 3.08Å; S457-C460 VanDerWaalsContact OG-CB 3.28Å; S457-C460 WeakPolarHBondContact OG-CB 3.14Å; S458-C460 VanDerWaalsContact C-N 3.32Å; S458-C460 PolarHBondContact O-N 2.84Å
461R88.7Confident93.5Very high98 Ų9829.3 Ų29.337%0.3717%0.168SC..Hα-helixtrans-83.5-34.8-178.9-69.1-173.7-63.6-175.31.2112.9G456 S457 S458 I459G456-R461 PolarHBondContact O-NE 3.27Å; S457-R461 PolarHBondContact O-N 3.01Å; S458-R461 PolarHBondContact O-N 3.29Å; I459-R461 VanDerWaalsContact C-N 3.29Å; I459-R461 PolarHBondContact O-N 3.42Å
462E92.3Very high93.2Very high43 Ų4330.1 Ų30.120%0.20118%0.176CC..Hα-helixtrans-85.4-20.6-172.7-73-175.6-136.700113.9L438 R439 K442 S458 I459L438-E462 HydrophobicContact CD2-CB 3.67Å; R439-E462 VanDerWaalsContact CG-OE2 3.3Å; R439-E462 WeakPolarHBondContact CG-OE2 3.38Å; R439-E462 IonicContact CZ-OE1 3.71Å; R439-E462 IonicContact CZ-OE2 3.84Å; R439-E462 IonicContact NE-OE1 3.83Å; R439-E462 PolarHBondContact NE-OE1 2.85Å; R439-E462 IonicContact NE-OE2 2.77Å; R439-E462 PolarHBondContact NE-OE2 2.66Å; R439-E462 IonicContact NH2-OE1 3.61Å; R439-E462 PolarHBondContact NH2-OE1 2.58Å; R439-E462 IonicContact NH2-OE2 3.63Å; K442-E462 PolarHBondContact NZ-O 2.67Å; S458-E462 WeakPolarHBondContact O-CB 3.49Å; S458-E462 WeakPolarHBondContact O-CG 3.23Å; S458-E462 PolarHBondContact O-N 2.84Å; I459-E462 PolarHBondContact O-N 3.26Å
463T97.3Very high92.8Very high14 Ų1431.2 Ų31.29%0.08618%0.184CC..SBendtrans-75.8148.2175530000112.8F424 L438 T448 I459 C465F424-T463 HydrophobicContact CD2-CG2 4.15Å; L438-T463 HydrophobicContact CD1-CG2 3.62Å; L438-T463 HydrophobicContact CD2-CG2 3.79Å; L438-T463 HydrophobicContact CG-CG2 4.38Å; T448-T463 WeakPolarHBondContact OG1-CA 3.39Å; I459-T463 HydrophobicContact CG2-CG2 4.11Å; I459-T463 WeakPolarHBondContact O-CG2 3.33Å; I459-T463 PolarHBondContact O-N 3.2Å; I459-T463 PolarHBondContact O-OG1 3.5Å; T463-C465 VanDerWaalsContact C-N 3.31Å; T463-C465 PolarHBondContact O-N 3.18Å; T463-C465 PolarHBondContact OG1-O 3.09Å
464D97.8Very high92.6Very high76 Ų7631 Ų3141%0.40618%0.183SC..SBendtrans-64.6-37.2178.7-53.7-58.9000112.2H364 T448H364-D464 PolarHBondContact CE1-O 3.13Å; T448-D464 PolarHBondContact N-OD2 3.37Å; T448-D464 PolarHBondContact O-N 3.23Å; T448-D464 VanDerWaalsContact OG1-CG 3.3Å; T448-D464 PolarHBondContact OG1-N 2.92Å; T448-D464 PolarHBondContact OG1-OD2 3.15Å
465C97.8Very high92.6Very high10 Ų1029.3 Ų29.37%0.06817%0.172CC..EExtended strand (participates in β ladder)trans-150.7171.2175.966.30000111.6G360 L361 H364 T448 V449 G450 T463G360-C465 WeakPolarHBondContact O-CB 3.46Å; L361-C465 HydrophobicContact CD2-CB 4.15Å; H364-C465 HydrophobicContact CB-CB 4.23Å; H364-C465 WeakPolarHBondContact ND1-CB 3.38Å; T448-C465 PolarHBondContact O-N 3.02Å; V449-C465 CarbonylContact C-O 3.54Å; V449-C465 VanDerWaalsContact CA-O 3.29Å; V449-C465 WeakPolarHBondContact CA-O 3.15Å; G450-C465 PolarHBondContact N-O 3.16Å; T463-C465 VanDerWaalsContact C-N 3.31Å; T463-C465 PolarHBondContact O-N 3.18Å; T463-C465 PolarHBondContact OG1-O 3.09Å
466G97.3Very high92.9Very high23 Ų2325.3 Ų25.324%0.23715%0.147CC..EExtended strand (participates in β ladder)trans-172.7173.9-177.600000116.1G360 G450G360-G466 CarbonylContact C-O 3.59Å; G360-G466 WeakPolarHBondContact CA-O 3.26Å; G450-G466 CarbonylContact O-C 3.52Å; G450-G466 WeakPolarHBondContact O-CA 3.32Å
467V97.9Very high93.3Very high8 Ų825 Ų255%0.04814%0.14CC..EExtended strand (participates in β ladder)trans-129.8115.6177.5-175.70000108.5L358 L361 G450 I451 T452 I469L358-V467 HydrophobicContact CB-CG2 4.28Å; L358-V467 HydrophobicContact CD1-CG2 4.08Å; L358-V467 HydrophobicContact CD2-CG1 4.17Å; L358-V467 HydrophobicContact CD2-CG2 4.46Å; L361-V467 HydrophobicContact CD1-CG2 3.82Å; L361-V467 HydrophobicContact CD2-CG2 4.1Å; L361-V467 HydrophobicContact CG-CG2 3.8Å; G450-V467 PolarHBondContact O-N 3.19Å; I451-V467 HydrophobicContact CD1-CB 3.77Å; I451-V467 HydrophobicContact CD1-CG2 3.95Å; T452-V467 PolarHBondContact N-O 2.99Å; T452-V467 VanDerWaalsContact N-O 3.16Å; V467-I469 PolarHBondContact O-N 3.48Å
468H97.4Very high93.6Very high53 Ų5324.9 Ų24.925%0.24514%0.14CC..EExtended strand (participates in β ladder)trans-74.5116.7166.5-174.2-102.2000109.1R348 T452 N453 N470R348-H468 VanDerWaalsContact CZ-O 3.3Å; R348-H468 PolarHBondContact NH1-O 2.88Å; R348-H468 VanDerWaalsContact NH1-O 3.11Å; R348-H468 PolarHBondContact NH2-O 2.66Å; T452-H468 CarbonylContact O-C 3.42Å; T452-H468 VanDerWaalsContact O-CA 3.27Å; T452-H468 WeakPolarHBondContact O-CA 3.36Å; N453-H468 PolarHBondContact O-NE2 3.13Å; H468-N470 WeakPolarHBondContact ND1-CA 3.16Å; H468-N470 PolarHBondContact ND1-N 2.91Å; H468-N470 PolarHBondContact O-N 2.87Å
469I97.7Very high94Very high0 Ų025.5 Ų25.50%014%0.144CC..  trans-66.3-24-174.672-178.3000112.2T344 I451 T452 N453 V467 A471 A482 Q486 S489T344-I469 VanDerWaalsContact CA-O 3.28Å; T344-I469 WeakPolarHBondContact CA-O 3.43Å; T344-I469 WeakPolarHBondContact CB-O 3.18Å; T344-I469 WeakPolarHBondContact CG2-O 3.48Å; T344-I469 PolarHBondContact OG1-O 2.63Å; I451-I469 HydrophobicContact CG2-CG2 3.57Å; T452-I469 PolarHBondContact O-N 3.37Å; N453-I469 HydrophobicContact CB-CD1 3.61Å; N453-I469 HydrophobicContact CB-CG1 3.59Å; N453-I469 WeakPolarHBondContact OD1-CG1 3.42Å; V467-I469 PolarHBondContact O-N 3.48Å; I469-A471 VanDerWaalsContact C-N 3.35Å; I469-A471 HydrophobicContact CD1-CB 4.21Å; I469-A471 HydrophobicContact CG1-CB 4.16Å; I469-A471 PolarHBondContact O-N 2.92Å; I469-A482 HydrophobicContact CD1-CB 4.05Å; I469-Q486 HydrophobicContact CD1-CG 3.9Å; I469-Q486 HydrophobicContact CG2-CG 4.23Å; I469-S489 WeakPolarHBondContact CG2-OG 3.44Å
470N95.1Very high94.2Very high62 Ų6225.5 Ų25.533%0.33214%0.144SC..  trans60.539175.3-160.142.1000114N343 N453 H468 G472N343-N470 WeakPolarHBondContact CB-O 3.44Å; N343-N470 PolarHBondContact O-ND2 2.85Å; N453-N470 PolarHBondContact OD1-N 3.41Å; H468-N470 WeakPolarHBondContact ND1-CA 3.16Å; H468-N470 PolarHBondContact ND1-N 2.91Å; H468-N470 PolarHBondContact O-N 2.87Å; N470-G472 PolarHBondContact O-N 3.22Å
471A95.6Very high94.4Very high4 Ų423.2 Ų23.23%0.03313%0.128CC..  trans-76.1-6.6174.700000112.7N453 I469 K481 S485N453-A471 PolarHBondContact OD1-N 3.32Å; I469-A471 VanDerWaalsContact C-N 3.35Å; I469-A471 HydrophobicContact CD1-CB 4.21Å; I469-A471 HydrophobicContact CG1-CB 4.16Å; I469-A471 PolarHBondContact O-N 2.92Å; A471-K481 HydrophobicContact CB-CG 4.36Å; A471-S485 WeakPolarHBondContact CB-OG 3.25Å
472G91.9Very high94.9Very high18 Ų1818.6 Ų18.619%0.18611%0.111CC..  trans75.2173.9-165.600000112.1N453 N470 E474N453-G472 PolarHBondContact ND2-O 3.04Å; N470-G472 PolarHBondContact O-N 3.22Å; G472-E474 PolarHBondContact O-N 3.39Å
473P90.8Very high95.2Very high27 Ų2716.5 Ų16.518%0.17510%0.101CC..  trans-54.4127.1175.1-2230.1000111.2M316 Q320 I321 K481M316-P473 HydrophobicContact CE-CB 4.03Å; M316-P473 HydrophobicContact CE-CG 3.55Å; M316-P473 HydrophobicContact CG-CG 4.02Å; M316-P473 HydrophobicContact SD-CG 4.01Å; Q320-P473 HydrophobicContact CB-CG 4.01Å; I321-P473 HydrophobicContact CG2-CB 3.96Å; I321-P473 HydrophobicContact CG2-CG 4.16Å; P473-K481 WeakPolarHBondContact O-CE 3.48Å; P473-K481 PolarHBondContact O-NZ 3.23Å
474E90.7Very high95.2Very high5 Ų515.9 Ų15.92%0.02310%0.097CC..  trans-95.9137164.2-159.8163.8-108.500105.9E333 G472 S479 T480 K481 A482 K681E333-E474 WeakPolarHBondContact OE2-CG 3.36Å; G472-E474 PolarHBondContact O-N 3.39Å; E474-S479 WeakPolarHBondContact OE2-CA 3.49Å; E474-S479 WeakPolarHBondContact OE2-CB 3.26Å; E474-S479 PolarHBondContact OE2-OG 3Å; E474-T480 PolarHBondContact OE1-N 3.48Å; E474-K481 HydrophobicContact CG-CG 4.49Å; E474-K481 WeakPolarHBondContact OE1-CG 3.1Å; E474-K481 PolarHBondContact OE1-N 3.27Å; E474-K481 VanDerWaalsContact OE1-N 3.15Å; E474-A482 WeakPolarHBondContact OE1-CB 3.26Å; E474-A482 PolarHBondContact OE1-N 3.17Å; E474-A482 WeakPolarHBondContact OE2-CB 3.33Å; E474-K681 VanDerWaalsContact O-CE 3.26Å; E474-K681 WeakPolarHBondContact O-CE 3.44Å; E474-K681 PolarHBondContact O-NZ 3.26Å
475I89.9Confident95.3Very high11 Ų1112.2 Ų12.26%0.0568%0.078CC..  trans-121.6-35.7-178.8-58.3-62.6000109.6Y32 I321 F329 E333Y32-I475 WeakPolarHBondContact CB-O 3.3Å; Y32-I475 HydrophobicContact CD1-CD1 4.26Å; Y32-I475 HydrophobicContact CD1-CG2 3.91Å; Y32-I475 HydrophobicContact CE1-CD1 3.93Å; Y32-I475 HydrophobicContact CG-CG2 3.98Å; I321-I475 HydrophobicContact CB-CD1 4.4Å; I321-I475 HydrophobicContact CG2-CD1 4.05Å; F329-I475 HydrophobicContact CB-CB 4.17Å; F329-I475 HydrophobicContact CB-CG2 4.36Å; F329-I475 HydrophobicContact CD1-CB 3.72Å; F329-I475 HydrophobicContact CD1-CG1 4.11Å; F329-I475 HydrophobicContact CD1-CG2 3.92Å; F329-I475 HydrophobicContact CD2-CB 4.19Å; F329-I475 HydrophobicContact CD2-CG2 3.55Å; F329-I475 HydrophobicContact CE1-CB 4.08Å; F329-I475 HydrophobicContact CE1-CG1 4.09Å; F329-I475 HydrophobicContact CE1-CG2 4.02Å; F329-I475 HydrophobicContact CE2-CG2 3.65Å; F329-I475 HydrophobicContact CG-CB 3.78Å; F329-I475 HydrophobicContact CG-CG2 3.69Å; F329-I475 HydrophobicContact CZ-CB 4.45Å; F329-I475 HydrophobicContact CZ-CG2 3.88Å; E333-I475 WeakPolarHBondContact OE1-CA 3.31Å; E333-I475 PolarHBondContact OE1-N 3.43Å
476G89.5Confident95.3Very high0 Ų011.8 Ų11.80%07%0.074CC..SBendtrans-53.1140.6171.300000111.8E333 K681E333-G476 PolarHBondContact OE1-N 3.16Å; E333-G476 PolarHBondContact OE2-N 3.46Å; G476-K681 WeakPolarHBondContact O-CD 3.39Å
477V89.4Confident95.4Very high16 Ų1610.7 Ų10.710%0.0976%0.063CC..SBendtrans-66.6-41.9178.8167.50000111D674 P676 L679 K681V477-D674 WeakPolarHBondContact CG2-O 3.4Å; V477-P676 HydrophobicContact CB-CG 3.86Å; V477-P676 HydrophobicContact CG1-CG 3.55Å; V477-L679 HydrophobicContact CG1-CB 4.18Å; V477-K681 HydrophobicContact CG2-CB 4.19Å
478A93.6Very high95.4Very high1 Ų110.3 Ų10.31%0.0086%0.061CC..SBendtrans-81.1119.5176.200000110.5M330 K563 I567M330-A478 HydrophobicContact CE-CB 4.22Å; A478-K563 HydrophobicContact CB-CD 4.16Å; A478-I567 HydrophobicContact CB-CG2 3.83Å
479S96.7Very high95.5Very high15 Ų157.9 Ų7.911%0.1055%0.05CC..  trans-65.9138.4-179.1-168.20000112.8E474 A482E474-S479 WeakPolarHBondContact OE2-CA 3.49Å; E474-S479 WeakPolarHBondContact OE2-CB 3.26Å; E474-S479 PolarHBondContact OE2-OG 3Å; S479-A482 WeakPolarHBondContact OG-CB 3.33Å
480T98.2Very high95.6Very high0 Ų07.9 Ų7.90%05%0.05CC..SBendtrans-136-75.9-178.255.50000111.3M330 E333 I334 E474 A482 Y483 T484 Q659M330-T480 HydrophobicContact CE-CG2 4.06Å; M330-T480 HydrophobicContact CG-CG2 4.22Å; E333-T480 WeakPolarHBondContact CB-OG1 3.44Å; I334-T480 HydrophobicContact CD1-CG2 4.37Å; I334-T480 HydrophobicContact CG1-CG2 3.72Å; E474-T480 PolarHBondContact OE1-N 3.48Å; T480-A482 VanDerWaalsContact C-N 3.29Å; T480-A482 PolarHBondContact O-N 3.21Å; T480-Y483 WeakPolarHBondContact O-CB 3.45Å; T480-Y483 PolarHBondContact O-N 3.49Å; T480-T484 PolarHBondContact O-N 3.27Å; T480-Q659 HydrophobicContact CG2-CG 4.45Å
481K97.8Very high95.7Very high4 Ų44.9 Ų4.92%0.0173%0.034CC..Hα-helixtrans-67.4-27.5179.363.3-179.7179.8-175.60113.1E333 E336 Q337 A471 P473 E474 T484 S485E333-K481 HydrophobicContact CB-CD 4.16Å; E333-K481 HydrophobicContact CB-CG 4.32Å; E333-K481 HydrophobicContact CG-CD 4.21Å; E336-K481 IonicContact OE2-NZ 3.67Å; E336-K481 PolarHBondContact OE2-NZ 2.83Å; Q337-K481 HydrophobicContact CG-CB 3.93Å; A471-K481 HydrophobicContact CB-CG 4.36Å; P473-K481 WeakPolarHBondContact O-CE 3.48Å; P473-K481 PolarHBondContact O-NZ 3.23Å; E474-K481 HydrophobicContact CG-CG 4.49Å; E474-K481 WeakPolarHBondContact OE1-CG 3.1Å; E474-K481 PolarHBondContact OE1-N 3.27Å; E474-K481 VanDerWaalsContact OE1-N 3.15Å; K481-T484 PolarHBondContact O-OG1 3.17Å; K481-S485 WeakPolarHBondContact O-CB 3.01Å; K481-S485 PolarHBondContact O-N 2.9Å; K481-S485 PolarHBondContact O-OG 3.38Å
482A97.9Very high95.9Very high0 Ų04.7 Ų4.70%03%0.032CC..Hα-helixtrans-68.3-37.8173.500000111.8Q427 I469 E474 S479 T480 S485 Q486Q427-A482 HydrophobicContact CB-CB 4.03Å; Q427-A482 HydrophobicContact CG-CB 3.51Å; I469-A482 HydrophobicContact CD1-CB 4.05Å; E474-A482 WeakPolarHBondContact OE1-CB 3.26Å; E474-A482 PolarHBondContact OE1-N 3.17Å; E474-A482 WeakPolarHBondContact OE2-CB 3.33Å; S479-A482 WeakPolarHBondContact OG-CB 3.33Å; T480-A482 VanDerWaalsContact C-N 3.29Å; T480-A482 PolarHBondContact O-N 3.21Å; A482-S485 PolarHBondContact O-N 3.4Å; A482-Q486 VanDerWaalsContact O-CB 3.29Å; A482-Q486 WeakPolarHBondContact O-CB 3.43Å; A482-Q486 WeakPolarHBondContact O-CG 3.42Å; A482-Q486 PolarHBondContact O-N 3.35Å
483Y98.7Very high96.2Very high0 Ų03.9 Ų3.90%02%0.024CC..Hα-helixtrans-57.8-52173.8172.5-101.1000111.9T381 H384 A385 T480 S485 Q486 F487 E559 V655T381-Y483 HydrophobicContact CG2-CD2 3.64Å; T381-Y483 HydrophobicContact CG2-CG 3.94Å; H384-Y483 HydrophobicContact CB-CE2 3.95Å; A385-Y483 HydrophobicContact CB-CD2 3.89Å; A385-Y483 HydrophobicContact CB-CE2 4.02Å; T480-Y483 WeakPolarHBondContact O-CB 3.45Å; T480-Y483 PolarHBondContact O-N 3.49Å; Y483-S485 VanDerWaalsContact C-N 3.34Å; Y483-S485 PolarHBondContact O-N 2.68Å; Y483-Q486 PolarHBondContact O-N 2.96Å; Y483-F487 HydrophobicContact CE1-CD1 4.19Å; Y483-F487 WeakPolarHBondContact O-CB 3.28Å; Y483-F487 PolarHBondContact O-N 3.02Å; Y483-E559 HydrophobicContact CD2-CG 4.39Å; Y483-E559 HydrophobicContact CE1-CG 4.47Å; Y483-E559 HydrophobicContact CE2-CB 4.49Å; Y483-E559 HydrophobicContact CE2-CG 4.23Å; Y483-V655 HydrophobicContact CD1-CG1 4.14Å; Y483-V655 HydrophobicContact CE1-CB 4.21Å; Y483-V655 HydrophobicContact CE1-CG1 3.81Å; Y483-V655 HydrophobicContact CE1-CG2 4.08Å
484T98.7Very high96.5Very high0 Ų02.6 Ų2.60%02%0.015CC..Hα-helixtrans-68.6-33.9-178.447.50000112.2Q337 T480 K481 F487 V488 I652 V655Q337-T484 PolarHBondContact OE1-OG1 3.19Å; T480-T484 PolarHBondContact O-N 3.27Å; K481-T484 PolarHBondContact O-OG1 3.17Å; T484-F487 WeakPolarHBondContact O-CB 3.42Å; T484-F487 PolarHBondContact O-N 3.2Å; T484-V488 WeakPolarHBondContact O-CG2 3.44Å; T484-V488 PolarHBondContact O-N 2.85Å; T484-I652 HydrophobicContact CG2-CG2 3.88Å; T484-V655 HydrophobicContact CG2-CG1 4.25Å
485S98.7Very high96.9Very high0 Ų02.4 Ų2.40%01%0.014CC..Hα-helixtrans-71.5-35.7174.5-58.90000113T344 A471 K481 A482 Y483 S489T344-S485 VanDerWaalsContact OG1-CB 3.24Å; T344-S485 WeakPolarHBondContact OG1-CB 3.34Å; T344-S485 PolarHBondContact OG1-OG 3.48Å; A471-S485 WeakPolarHBondContact CB-OG 3.25Å; K481-S485 WeakPolarHBondContact O-CB 3.01Å; K481-S485 PolarHBondContact O-N 2.9Å; K481-S485 PolarHBondContact O-OG 3.38Å; A482-S485 PolarHBondContact O-N 3.4Å; Y483-S485 VanDerWaalsContact C-N 3.34Å; Y483-S485 PolarHBondContact O-N 2.68Å; S485-S489 WeakPolarHBondContact O-CB 3.3Å; S485-S489 PolarHBondContact O-N 3.39Å; S485-S489 PolarHBondContact O-OG 3.07Å
486Q98.8Very high97.2Very high0 Ų02.1 Ų2.10%01%0.013CC..Hα-helixtrans-62.7-45.8170.1-75.3167.1-8.900110.6S382 A385 I425 I451 I469 A482 Y483 V488 S489 L490S382-Q486 PolarHBondContact OG-NE2 3.08Å; S382-Q486 PolarHBondContact OG-OE1 3.07Å; A385-Q486 HydrophobicContact CB-CB 3.85Å; I425-Q486 HydrophobicContact CG2-CB 4.3Å; I425-Q486 VanDerWaalsContact CG2-CD 3.47Å; I425-Q486 HydrophobicContact CG2-CG 3.82Å; I451-Q486 HydrophobicContact CG2-CG 4.41Å; I469-Q486 HydrophobicContact CD1-CG 3.9Å; I469-Q486 HydrophobicContact CG2-CG 4.23Å; A482-Q486 VanDerWaalsContact O-CB 3.29Å; A482-Q486 WeakPolarHBondContact O-CB 3.43Å; A482-Q486 WeakPolarHBondContact O-CG 3.42Å; A482-Q486 PolarHBondContact O-N 3.35Å; Y483-Q486 PolarHBondContact O-N 2.96Å; Q486-V488 PolarHBondContact O-N 3.12Å; Q486-S489 PolarHBondContact O-N 3.41Å; Q486-L490 WeakPolarHBondContact O-CG 3.48Å; Q486-L490 PolarHBondContact O-N 2.84Å
487F98.6Very high97.6Very high1 Ų13 Ų30%0.0042%0.017CC..Hα-helixtrans-54.3-55.1175.1-158.8149.8000110.5A388 T389 Y483 T484 S489 L490 I491 C648 I652A388-F487 HydrophobicContact CB-CD1 3.83Å; A388-F487 HydrophobicContact CB-CE1 3.41Å; A388-F487 VanDerWaalsContact CB-CE1 3.41Å; A388-F487 HydrophobicContact CB-CE2 4.35Å; A388-F487 HydrophobicContact CB-CG 4.47Å; A388-F487 HydrophobicContact CB-CZ 3.69Å; T389-F487 HydrophobicContact CG2-CD2 3.18Å; T389-F487 HydrophobicContact CG2-CE2 3.39Å; T389-F487 HydrophobicContact CG2-CG 4Å; T389-F487 HydrophobicContact CG2-CZ 4.37Å; Y483-F487 HydrophobicContact CE1-CD1 4.19Å; Y483-F487 WeakPolarHBondContact O-CB 3.28Å; Y483-F487 PolarHBondContact O-N 3.02Å; T484-F487 WeakPolarHBondContact O-CB 3.42Å; T484-F487 PolarHBondContact O-N 3.2Å; F487-S489 VanDerWaalsContact C-N 3.32Å; F487-S489 PolarHBondContact O-N 3.39Å; F487-L490 PolarHBondContact O-N 3.2Å; F487-I491 HydrophobicContact CD2-CD1 3.6Å; F487-I491 HydrophobicContact CD2-CG1 3.94Å; F487-I491 HydrophobicContact CE2-CD1 3.64Å; F487-I491 HydrophobicContact CE2-CG1 4.12Å; F487-I491 WeakPolarHBondContact O-CG1 3.17Å; F487-I491 PolarHBondContact O-N 3.25Å; F487-C648 WeakPolarHBondContact CE2-O 3.13Å; F487-I652 HydrophobicContact CB-CD1 4.33Å; F487-I652 HydrophobicContact CB-CG1 4.26Å; F487-I652 HydrophobicContact CD1-CD1 4.35Å; F487-I652 HydrophobicContact CD1-CG1 3.57Å; F487-I652 HydrophobicContact CD2-CD1 4.23Å; F487-I652 HydrophobicContact CD2-CG1 4.27Å; F487-I652 HydrophobicContact CE1-CG1 3.89Å; F487-I652 HydrophobicContact CG-CD1 4.06Å; F487-I652 HydrophobicContact CG-CG1 3.78Å; F487-I652 HydrophobicContact CZ-CG1 4.41Å
488V98.8Very high97.9Very high0 Ų02.2 Ų2.20%01%0.013CC..Hα-helixtrans-60.5-39.7179.8172.60000112.1V341 T344 M345 T484 Q486 L490 I491 M492 L515 L518 I652V341-V488 HydrophobicContact CG1-CG2 4.19Å; V341-V488 HydrophobicContact CG2-CG2 4.39Å; T344-V488 HydrophobicContact CG2-CB 4.1Å; T344-V488 HydrophobicContact CG2-CG1 3.88Å; M345-V488 HydrophobicContact CG-CG1 3.71Å; M345-V488 HydrophobicContact SD-CG1 4.27Å; T484-V488 WeakPolarHBondContact O-CG2 3.44Å; T484-V488 PolarHBondContact O-N 2.85Å; Q486-V488 PolarHBondContact O-N 3.12Å; V488-L490 PolarHBondContact O-N 3.25Å; V488-I491 PolarHBondContact O-N 3.44Å; V488-M492 HydrophobicContact CG1-CE 4.22Å; V488-M492 WeakPolarHBondContact O-CG 3.23Å; V488-M492 PolarHBondContact O-N 3.17Å; V488-L515 HydrophobicContact CG1-CD2 4.12Å; V488-L515 HydrophobicContact CG2-CD2 4.39Å; V488-L518 HydrophobicContact CG2-CD2 4.05Å; V488-I652 HydrophobicContact CG2-CD1 3.68Å
489S98.7Very high97.9Very high1 Ų15 Ų51%0.0073%0.026CC..Hα-helixtrans-62.7-42.7178.6-61.40000112.6T344 I469 S485 Q486 F487 M492 F493T344-S489 WeakPolarHBondContact CG2-OG 3.25Å; I469-S489 WeakPolarHBondContact CG2-OG 3.44Å; S485-S489 WeakPolarHBondContact O-CB 3.3Å; S485-S489 PolarHBondContact O-N 3.39Å; S485-S489 PolarHBondContact O-OG 3.07Å; Q486-S489 PolarHBondContact O-N 3.41Å; F487-S489 VanDerWaalsContact C-N 3.32Å; F487-S489 PolarHBondContact O-N 3.39Å; S489-M492 PolarHBondContact O-N 3.28Å; S489-F493 PolarHBondContact O-N 3.06Å
490L98.8Very high97.7Very high0 Ų010.2 Ų10.20%05%0.052CC..Hα-helixtrans-69.3-34.5177-68.9174.5000112.3M376 T389 F423 I425 I451 Q486 F487 V488 F493 G494M376-L490 HydrophobicContact CE-CD1 4.16Å; M376-L490 HydrophobicContact CE-CD2 3.43Å; M376-L490 VanDerWaalsContact CE-CD2 3.43Å; M376-L490 HydrophobicContact CE-CG 4.43Å; T389-L490 HydrophobicContact CG2-CB 3.87Å; T389-L490 HydrophobicContact CG2-CD1 4.31Å; T389-L490 VanDerWaalsContact OG1-CD1 3.31Å; T389-L490 WeakPolarHBondContact OG1-CD1 3.26Å; F423-L490 HydrophobicContact CD1-CD2 4.25Å; I425-L490 HydrophobicContact CD1-CD1 3.88Å; I451-L490 HydrophobicContact CG1-CD2 4.19Å; Q486-L490 WeakPolarHBondContact O-CG 3.48Å; Q486-L490 PolarHBondContact O-N 2.84Å; F487-L490 PolarHBondContact O-N 3.2Å; V488-L490 PolarHBondContact O-N 3.25Å; L490-F493 WeakPolarHBondContact O-CB 3.46Å; L490-F493 PolarHBondContact O-N 3.33Å; L490-G494 PolarHBondContact O-N 2.92Å; L490-G494 VanDerWaalsContact O-N 3.08Å
491I98.8Very high97.5Very high0 Ų013.5 Ų13.50%07%0.065CC..Hα-helixtrans-63-46.4171.4-66.5-180000110.9T389 L392 F487 V488 F493 G494 L495 I511 L515 L649T389-I491 HydrophobicContact CG2-CG1 4.27Å; L392-I491 HydrophobicContact CD2-CB 4.19Å; L392-I491 HydrophobicContact CD2-CD1 4.36Å; L392-I491 HydrophobicContact CD2-CG1 3.75Å; L392-I491 HydrophobicContact CD2-CG2 3.92Å; F487-I491 HydrophobicContact CD2-CD1 3.6Å; F487-I491 HydrophobicContact CD2-CG1 3.94Å; F487-I491 HydrophobicContact CE2-CD1 3.64Å; F487-I491 HydrophobicContact CE2-CG1 4.12Å; F487-I491 WeakPolarHBondContact O-CG1 3.17Å; F487-I491 PolarHBondContact O-N 3.25Å; V488-I491 PolarHBondContact O-N 3.44Å; I491-F493 PolarHBondContact O-N 3.09Å; I491-G494 PolarHBondContact O-N 2.69Å; I491-G494 VanDerWaalsContact O-N 3.1Å; I491-L495 HydrophobicContact CG2-CD1 4.19Å; I491-L495 HydrophobicContact CG2-CG 4.44Å; I491-L495 WeakPolarHBondContact O-CG 3.36Å; I491-L495 PolarHBondContact O-N 2.78Å; I491-I511 HydrophobicContact CG2-CG2 3.74Å; I491-L515 HydrophobicContact CG2-CD1 4.18Å; I491-L649 HydrophobicContact CD1-CD2 3.27Å; I491-L649 HydrophobicContact CD1-CG 4.42Å
492M98.7Very high97.4Very high0 Ų020.9 Ų20.90%010%0.103CC..Hα-helixtrans-59.3-36.7176.7-73.5-171.4-64.200111.8T344 M345 R348 I349 V356 L358 V488 S489 L495 M496T344-M492 HydrophobicContact CG2-CE 3.91Å; T344-M492 WeakPolarHBondContact O-CE 3.48Å; M345-M492 HydrophobicContact CG-SD 4.35Å; R348-M492 HydrophobicContact CB-SD 3.91Å; I349-M492 HydrophobicContact CD1-CG 4.15Å; I349-M492 HydrophobicContact CD1-SD 3.93Å; I349-M492 HydrophobicContact CG1-CG 4.35Å; I349-M492 HydrophobicContact CG1-SD 3.8Å; V356-M492 HydrophobicContact CG1-CB 3.73Å; V356-M492 HydrophobicContact CG1-CG 3.99Å; V356-M492 HydrophobicContact CG1-SD 4.49Å; L358-M492 HydrophobicContact CD1-CB 4.23Å; L358-M492 HydrophobicContact CD2-CB 4.07Å; L358-M492 HydrophobicContact CD2-CE 3.97Å; L358-M492 HydrophobicContact CD2-SD 4.34Å; L358-M492 HydrophobicContact CG-CB 4.37Å; V488-M492 HydrophobicContact CG1-CE 4.22Å; V488-M492 WeakPolarHBondContact O-CG 3.23Å; V488-M492 PolarHBondContact O-N 3.17Å; S489-M492 PolarHBondContact O-N 3.28Å; M492-L495 PolarHBondContact O-N 3.29Å; M492-M496 PolarHBondContact O-N 2.89Å
493F98.6Very high97.3Very high1 Ų125.9 Ų25.90%0.00414%0.138CC..Hα-helixtrans-60.9-48.1172.5167.9-103.4000111.8L358 L361 I368 L374 L393 F423 S489 L490 I491 L495 M496 M497L358-F493 HydrophobicContact CD1-CB 3.89Å; L361-F493 HydrophobicContact CD1-CD2 3.81Å; L361-F493 HydrophobicContact CD1-CE2 4.47Å; I368-F493 HydrophobicContact CG2-CE2 3.93Å; I368-F493 HydrophobicContact CG2-CZ 3.93Å; L374-F493 HydrophobicContact CD1-CE1 3.88Å; L374-F493 HydrophobicContact CD1-CZ 4.38Å; L393-F493 HydrophobicContact CD2-CD1 3.72Å; L393-F493 HydrophobicContact CD2-CE1 4.17Å; F423-F493 HydrophobicContact CE1-CD1 4.28Å; F423-F493 HydrophobicContact CE1-CD2 4.35Å; F423-F493 HydrophobicContact CE1-CE1 4.39Å; F423-F493 HydrophobicContact CE1-CE2 4.46Å; F423-F493 HydrophobicContact CE1-CG 4.27Å; F423-F493 HydrophobicContact CE1-CZ 4.48Å; F423-F493 HydrophobicContact CE2-CE1 4.02Å; F423-F493 AromaticContact CE2-CZ 3.96Å; F423-F493 HydrophobicContact CE2-CZ 3.96Å; F423-F493 AromaticContact CZ-CD1 3.88Å; F423-F493 HydrophobicContact CZ-CD1 3.88Å; F423-F493 AromaticContact CZ-CD2 3.97Å; F423-F493 HydrophobicContact CZ-CD2 3.97Å; F423-F493 AromaticContact CZ-CE1 3.55Å; F423-F493 HydrophobicContact CZ-CE1 3.55Å; F423-F493 AromaticContact CZ-CE2 3.65Å; F423-F493 HydrophobicContact CZ-CE2 3.65Å; F423-F493 HydrophobicContact CZ-CG 4.08Å; F423-F493 AromaticContact CZ-CZ 3.43Å; F423-F493 HydrophobicContact CZ-CZ 3.43Å; F423-F493 VanDerWaalsContact CZ-CZ 3.43Å; S489-F493 PolarHBondContact O-N 3.06Å; L490-F493 WeakPolarHBondContact O-CB 3.46Å; L490-F493 PolarHBondContact O-N 3.33Å; I491-F493 PolarHBondContact O-N 3.09Å; F493-L495 VanDerWaalsContact C-N 3.31Å; F493-L495 PolarHBondContact O-N 2.74Å; F493-M496 HydrophobicContact CD2-CE 4.04Å; F493-M496 HydrophobicContact CE2-CE 4.5Å; F493-M496 WeakPolarHBondContact O-CB 3.15Å; F493-M496 PolarHBondContact O-N 3.28Å; F493-M496 VanDerWaalsContact O-N 3.16Å; F493-M497 HydrophobicContact CD2-CG 4.16Å; F493-M497 HydrophobicContact CE1-CG 3.98Å; F493-M497 HydrophobicContact CE2-CG 3.57Å; F493-M497 HydrophobicContact CE2-SD 3.85Å; F493-M497 HydrophobicContact CZ-CE 4.49Å; F493-M497 HydrophobicContact CZ-CG 3.47Å; F493-M497 VanDerWaalsContact CZ-CG 3.47Å; F493-M497 HydrophobicContact CZ-SD 3.92Å; F493-M497 WeakPolarHBondContact O-CG 3.4Å; F493-M497 PolarHBondContact O-N 3.28Å
494G98.1Very high97.2Very high0 Ų027 Ų270%014%0.144CC..Hα-helixtrans-59.2-38.417500000113.6L396 L490 I491 M496 M497 S498L396-G494 VanDerWaalsContact CD1-C 3.49Å; L490-G494 PolarHBondContact O-N 2.92Å; L490-G494 VanDerWaalsContact O-N 3.08Å; I491-G494 PolarHBondContact O-N 2.69Å; I491-G494 VanDerWaalsContact O-N 3.1Å; G494-M496 VanDerWaalsContact C-N 3.34Å; G494-M496 PolarHBondContact O-N 3.11Å; G494-M497 PolarHBondContact O-N 2.99Å; G494-S498 PolarHBondContact O-N 3.21Å; G494-S498 VanDerWaalsContact O-N 3.08Å; G494-S498 PolarHBondContact O-OG 2.98Å
495L98.3Very high97.1Very high0 Ų030.3 Ų30.30%016%0.159CC..Hα-helixtrans-66.3-33.7176.1-70173.4000113.3V356 L396 I491 M492 F493 S498 R508 I511 I512 L515V356-L495 HydrophobicContact CB-CB 4.23Å; V356-L495 HydrophobicContact CG1-CB 4.46Å; V356-L495 HydrophobicContact CG2-CB 4Å; V356-L495 HydrophobicContact CG2-CD1 3.97Å; L396-L495 HydrophobicContact CD1-CD2 4.29Å; I491-L495 HydrophobicContact CG2-CD1 4.19Å; I491-L495 HydrophobicContact CG2-CG 4.44Å; I491-L495 WeakPolarHBondContact O-CG 3.36Å; I491-L495 PolarHBondContact O-N 2.78Å; M492-L495 PolarHBondContact O-N 3.29Å; F493-L495 VanDerWaalsContact C-N 3.31Å; F493-L495 PolarHBondContact O-N 2.74Å; L495-S498 PolarHBondContact O-OG 3.45Å; L495-R508 HydrophobicContact CD2-CB 4.02Å; L495-R508 HydrophobicContact CD2-CG 3.98Å; L495-R508 PolarHBondContact O-NE 3.09Å; L495-R508 VanDerWaalsContact O-NE 3.11Å; L495-R508 PolarHBondContact O-NH2 3.25Å; L495-R508 VanDerWaalsContact O-NH2 3.12Å; L495-I511 HydrophobicContact CD1-CG2 3.96Å; L495-I511 HydrophobicContact CD2-CB 4.08Å; L495-I511 HydrophobicContact CD2-CD1 4.14Å; L495-I511 HydrophobicContact CD2-CG2 4.06Å; L495-I511 HydrophobicContact CG-CG2 4.33Å; L495-I512 HydrophobicContact CD1-CG1 3.9Å; L495-I512 HydrophobicContact CD2-CG1 4.49Å; L495-L515 HydrophobicContact CD1-CD1 3.82Å
496M96.4Very high97.1Very high5 Ų537.9 Ų37.93%0.02519%0.193CC..Hα-helixtrans-73-37.4175.2-170.8-178.362.400111.3L358 L361 L365 M492 F493 G494L358-M496 HydrophobicContact CB-CE 4.37Å; L358-M496 HydrophobicContact CB-SD 4.08Å; L358-M496 HydrophobicContact CD1-CE 4.36Å; L358-M496 HydrophobicContact CG-SD 4.5Å; L361-M496 HydrophobicContact CB-CE 3.91Å; L361-M496 HydrophobicContact CD1-CE 3.73Å; L361-M496 HydrophobicContact CG-CE 4.46Å; L365-M496 HydrophobicContact CD1-CE 3.44Å; L365-M496 VanDerWaalsContact CD1-CE 3.44Å; L365-M496 HydrophobicContact CD1-CG 4.22Å; L365-M496 HydrophobicContact CD1-SD 4.16Å; L365-M496 HydrophobicContact CD2-CE 4.28Å; L365-M496 HydrophobicContact CD2-CG 3.81Å; L365-M496 HydrophobicContact CD2-SD 3.88Å; L365-M496 HydrophobicContact CG-CE 4.37Å; M492-M496 PolarHBondContact O-N 2.89Å; F493-M496 HydrophobicContact CD2-CE 4.04Å; F493-M496 HydrophobicContact CE2-CE 4.5Å; F493-M496 WeakPolarHBondContact O-CB 3.15Å; F493-M496 PolarHBondContact O-N 3.28Å; F493-M496 VanDerWaalsContact O-N 3.16Å; G494-M496 VanDerWaalsContact C-N 3.34Å; G494-M496 PolarHBondContact O-N 3.11Å
497M96.7Very high97Very high19 Ų1940 Ų409%0.09420%0.2CC..Hα-helixtrans-69.2-33.4177.4-71.1-63.6-7000113.3L365 I368 K369 T397 F493 G494L365-M497 HydrophobicContact CD1-SD 3.79Å; I368-M497 HydrophobicContact CG2-CE 4Å; I368-M497 HydrophobicContact CG2-SD 3.82Å; K369-M497 HydrophobicContact CB-CE 4.46Å; K369-M497 HydrophobicContact CG-CE 3.84Å; K369-M497 HydrophobicContact CG-SD 3.86Å; T397-M497 HydrophobicContact CG2-CB 3.85Å; T397-M497 HydrophobicContact CG2-CG 4.1Å; F493-M497 HydrophobicContact CD2-CG 4.16Å; F493-M497 HydrophobicContact CE1-CG 3.98Å; F493-M497 HydrophobicContact CE2-CG 3.57Å; F493-M497 HydrophobicContact CE2-SD 3.85Å; F493-M497 HydrophobicContact CZ-CE 4.49Å; F493-M497 HydrophobicContact CZ-CG 3.47Å; F493-M497 VanDerWaalsContact CZ-CG 3.47Å; F493-M497 HydrophobicContact CZ-SD 3.92Å; F493-M497 WeakPolarHBondContact O-CG 3.4Å; F493-M497 PolarHBondContact O-N 3.28Å; G494-M497 PolarHBondContact O-N 2.99Å
498S96.6Very high97Very high0 Ų040.3 Ų40.30%020%0.202CC..THydrogen-bonded Turntrans-87.82.1-178.152.50000114.5G494 L495 D500 R501 R508G494-S498 PolarHBondContact O-N 3.21Å; G494-S498 VanDerWaalsContact O-N 3.08Å; G494-S498 PolarHBondContact O-OG 2.98Å; L495-S498 PolarHBondContact O-OG 3.45Å; S498-D500 VanDerWaalsContact C-N 3.35Å; S498-D500 PolarHBondContact O-N 3.19Å; S498-R501 WeakPolarHBondContact O-CB 3.42Å; S498-R501 PolarHBondContact O-N 2.88Å; S498-R501 VanDerWaalsContact O-N 3.11Å; S498-R508 WeakPolarHBondContact OG-CD 3.29Å
499E93.8Very high96.9Very high60 Ų6043.6 Ų43.628%0.2822%0.219SC..THydrogen-bonded Turntrans-57.5-41.1-169.5-177.9164.6-133.800114.8R501 Q505 R508E499-R501 PolarHBondContact O-N 3.26Å; E499-Q505 PolarHBondContact O-NE2 3.08Å; E499-R508 VanDerWaalsContact CA-CZ 3.43Å; E499-R508 IonicContact OE1-NH2 2.68Å
500D92.7Very high96.9Very high124 Ų12446.8 Ų46.866%0.66324%0.236SC*.THydrogen-bonded Turntrans-82-0.9-176-57.1-49.7000113.1K369 S498K369-D500 IonicContact NZ-OD2 3.02Å; K369-D500 PolarHBondContact NZ-OD2 2.88Å; S498-D500 VanDerWaalsContact C-N 3.35Å; S498-D500 PolarHBondContact O-N 3.19Å
501R94.3Very high96.9Very high69 Ų6946.8 Ų46.826%0.2624%0.236SC..  trans-93110.4-176.1-66.8-178.1172.7179.4-5.8111.1L396 T397 E398 S498 E499 S503 L504 Q505L396-R501 PolarHBondContact O-NH1 3.19Å; L396-R501 VanDerWaalsContact O-NH1 3.07Å; T397-R501 PolarHBondContact O-NH1 2.79Å; T397-R501 PolarHBondContact O-NH2 2.81Å; E398-R501 IonicContact OE1-NH1 3.6Å; E398-R501 IonicContact OE2-CZ 2.9Å; E398-R501 IonicContact OE2-NE 3.63Å; E398-R501 IonicContact OE2-NH1 2.74Å; E398-R501 PolarHBondContact OE2-NH1 3.34Å; E398-R501 VanDerWaalsContact OE2-NH1 3.11Å; E398-R501 IonicContact OE2-NH2 3.88Å; E398-R501 PolarHBondContact OE2-NH2 3.01Å; S498-R501 WeakPolarHBondContact O-CB 3.42Å; S498-R501 PolarHBondContact O-N 2.88Å; S498-R501 VanDerWaalsContact O-N 3.11Å; E499-R501 PolarHBondContact O-N 3.26Å; R501-S503 VanDerWaalsContact C-N 3.33Å; R501-S503 PolarHBondContact O-N 3.48Å; R501-L504 HydrophobicContact CB-CB 4.21Å; R501-L504 HydrophobicContact CB-CD1 4.15Å; R501-L504 HydrophobicContact CB-CG 4.19Å; R501-L504 PolarHBondContact O-N 2.87Å; R501-Q505 PolarHBondContact O-NE2 2.89Å
502L94.8Very high96.9Very high158 Ų15846.8 Ų46.883%0.82724%0.236SC*.G310 helixtrans-60.8-39.1178.8-71.4173.4000112.9L504 Q505L502-L504 PolarHBondContact O-N 2.64Å; L502-Q505 WeakPolarHBondContact O-CG 3.31Å; L502-Q505 PolarHBondContact O-N 3.02Å
503S96.8Very high96.9Very high105 Ų10550.3 Ų50.373%0.73425%0.254SS*.G310 helixtrans-63.3-27.2179.952.60000113.5R501R501-S503 VanDerWaalsContact C-N 3.33Å; R501-S503 PolarHBondContact O-N 3.48Å
504L96.6Very high96.8Very high24 Ų2450.6 Ų50.613%0.12626%0.258CS..G310 helixtrans-95.1-2.8-177-63-178.5000113.5L396 R501 L502 K506 R507 R508L396-L504 HydrophobicContact CD2-CD1 4.22Å; R501-L504 HydrophobicContact CB-CB 4.21Å; R501-L504 HydrophobicContact CB-CD1 4.15Å; R501-L504 HydrophobicContact CB-CG 4.19Å; R501-L504 PolarHBondContact O-N 2.87Å; L502-L504 PolarHBondContact O-N 2.64Å; L504-K506 VanDerWaalsContact C-N 3.33Å; L504-K506 PolarHBondContact O-N 3.11Å; L504-R507 WeakPolarHBondContact O-CB 3.19Å; L504-R507 PolarHBondContact O-N 2.85Å; L504-R507 VanDerWaalsContact O-N 3.09Å; L504-R508 WeakPolarHBondContact O-CG 3.11Å; L504-R508 PolarHBondContact O-N 3.1Å
505Q96.2Very high96.9Very high69 Ų6950.6 Ų50.632%0.32226%0.258SS..Hα-helixtrans-59.5-41.6-174.6-66.5-56.3-4100113.3E499 R501 L502 R508 L509E499-Q505 PolarHBondContact O-NE2 3.08Å; R501-Q505 PolarHBondContact O-NE2 2.89Å; L502-Q505 WeakPolarHBondContact O-CG 3.31Å; L502-Q505 PolarHBondContact O-N 3.02Å; Q505-R508 PolarHBondContact O-N 3.16Å; Q505-L509 WeakPolarHBondContact O-CB 3.39Å; Q505-L509 PolarHBondContact O-N 3.23Å
506K97.5Very high96.8Very high160 Ų16055.8 Ų55.870%0.69628%0.28SS*.Hα-helixtrans-60.8-48.3175.4-177.2179.7176.7-176.90111L504 R508 L509 D510L504-K506 VanDerWaalsContact C-N 3.33Å; L504-K506 PolarHBondContact O-N 3.11Å; K506-R508 PolarHBondContact O-N 3.28Å; K506-L509 PolarHBondContact O-N 3.03Å; K506-D510 VanDerWaalsContact O-CG 3.28Å; K506-D510 PolarHBondContact O-N 2.73Å
507R97.9Very high96.9Very high43 Ų4360.2 Ų60.216%0.16230%0.302CS..Hα-helixtrans-60.4-44.1178.9178.956.6164.9168.8-1.9111.8E395 L396 L504 D510 I511 V646 D647E395-R507 VanDerWaalsContact OE1-CG 3.3Å; E395-R507 WeakPolarHBondContact OE1-CG 3.47Å; E395-R507 IonicContact OE1-CZ 3.57Å; E395-R507 IonicContact OE1-NE 2.94Å; E395-R507 PolarHBondContact OE1-NE 3.05Å; E395-R507 IonicContact OE1-NH2 2.77Å; E395-R507 IonicContact OE2-CZ 3.67Å; E395-R507 IonicContact OE2-NE 3.66Å; E395-R507 IonicContact OE2-NH2 2.67Å; E395-R507 PolarHBondContact OE2-NH2 3.06Å; E395-R507 VanDerWaalsContact OE2-NH2 3.11Å; L396-R507 HydrophobicContact CD2-CG 4.37Å; L504-R507 WeakPolarHBondContact O-CB 3.19Å; L504-R507 PolarHBondContact O-N 2.85Å; L504-R507 VanDerWaalsContact O-N 3.09Å; R507-D510 PolarHBondContact O-N 3.2Å; R507-I511 HydrophobicContact CG-CD1 4.07Å; R507-I511 WeakPolarHBondContact O-CD1 3.4Å; R507-I511 VanDerWaalsContact O-CG1 3.24Å; R507-I511 WeakPolarHBondContact O-CG1 3.5Å; R507-I511 PolarHBondContact O-N 2.7Å; R507-I511 VanDerWaalsContact O-N 3.08Å; R507-V646 VanDerWaalsContact NH1-CG1 3.31Å; R507-D647 IonicContact CZ-OD1 3.61Å; R507-D647 IonicContact NH1-OD1 2.83Å; R507-D647 PolarHBondContact NH1-OD1 2.93Å; R507-D647 IonicContact NH1-OD2 2.89Å; R507-D647 IonicContact NH2-OD1 3.51Å; R507-D647 PolarHBondContact NH2-OD1 3.34Å; R507-D647 IonicContact NH2-OD2 3.05Å; R507-D647 PolarHBondContact NH2-OD2 2.97Å
508R98Very high97Very high9 Ų959.3 Ų59.33%0.03430%0.298CS..Hα-helixtrans-59.1-47174.7-69.4176.672.8-128.42111.5L495 S498 E499 L504 Q505 K506 D510 I511 I512L495-R508 HydrophobicContact CD2-CB 4.02Å; L495-R508 HydrophobicContact CD2-CG 3.98Å; L495-R508 PolarHBondContact O-NE 3.09Å; L495-R508 VanDerWaalsContact O-NE 3.11Å; L495-R508 PolarHBondContact O-NH2 3.25Å; L495-R508 VanDerWaalsContact O-NH2 3.12Å; S498-R508 WeakPolarHBondContact OG-CD 3.29Å; E499-R508 VanDerWaalsContact CA-CZ 3.43Å; E499-R508 IonicContact OE1-NH2 2.68Å; L504-R508 WeakPolarHBondContact O-CG 3.11Å; L504-R508 PolarHBondContact O-N 3.1Å; Q505-R508 PolarHBondContact O-N 3.16Å; K506-R508 PolarHBondContact O-N 3.28Å; R508-D510 PolarHBondContact O-N 2.83Å; R508-I511 PolarHBondContact O-N 2.87Å; R508-I512 VanDerWaalsContact O-CG1 3.3Å; R508-I512 WeakPolarHBondContact O-CG1 3.46Å; R508-I512 PolarHBondContact O-N 2.93Å
509L97.8Very high97.1Very high68 Ų6859.9 Ų59.936%0.35630%0.302SS..Hα-helixtrans-62.1-43.2179.4-177.462.2000111.7N354 Q505 K506 I511 I512 N513N354-L509 HydrophobicContact CB-CD1 4.28Å; Q505-L509 WeakPolarHBondContact O-CB 3.39Å; Q505-L509 PolarHBondContact O-N 3.23Å; K506-L509 PolarHBondContact O-N 3.03Å; L509-I511 VanDerWaalsContact C-N 3.33Å; L509-I511 PolarHBondContact O-N 3.11Å; L509-I512 PolarHBondContact O-N 3.32Å; L509-N513 WeakPolarHBondContact O-CB 3.22Å; L509-N513 VanDerWaalsContact O-CG 3.3Å; L509-N513 PolarHBondContact O-N 3.13Å; L509-N513 PolarHBondContact O-ND2 3.36Å; L509-N513 VanDerWaalsContact O-ND2 3.14Å
510D98.2Very high97.3Very high68 Ų6861.7 Ų61.736%0.36431%0.31SS..Hα-helixtrans-58.1-47175.8-67.1-22.6000110.5K506 R507 R508 N513 G514 V646K506-D510 VanDerWaalsContact O-CG 3.28Å; K506-D510 PolarHBondContact O-N 2.73Å; R507-D510 PolarHBondContact O-N 3.2Å; R508-D510 PolarHBondContact O-N 2.83Å; D510-N513 PolarHBondContact O-N 2.92Å; D510-G514 PolarHBondContact O-N 3.14Å; D510-V646 VanDerWaalsContact O-CG2 3.3Å; D510-V646 WeakPolarHBondContact O-CG2 3.36Å
511I98.6Very high97.6Very high0 Ų056.8 Ų56.80%028%0.283CS..Hα-helixtrans-64.1-45.2178.3-61.8164.3000111.6L392 L396 I491 L495 R507 R508 L509 N513 G514 L515 V646L392-I511 HydrophobicContact CD1-CD1 3.88Å; L396-I511 HydrophobicContact CD1-CD1 4.29Å; I491-I511 HydrophobicContact CG2-CG2 3.74Å; L495-I511 HydrophobicContact CD1-CG2 3.96Å; L495-I511 HydrophobicContact CD2-CB 4.08Å; L495-I511 HydrophobicContact CD2-CD1 4.14Å; L495-I511 HydrophobicContact CD2-CG2 4.06Å; L495-I511 HydrophobicContact CG-CG2 4.33Å; R507-I511 HydrophobicContact CG-CD1 4.07Å; R507-I511 WeakPolarHBondContact O-CD1 3.4Å; R507-I511 VanDerWaalsContact O-CG1 3.24Å; R507-I511 WeakPolarHBondContact O-CG1 3.5Å; R507-I511 PolarHBondContact O-N 2.7Å; R507-I511 VanDerWaalsContact O-N 3.08Å; R508-I511 PolarHBondContact O-N 2.87Å; L509-I511 VanDerWaalsContact C-N 3.33Å; L509-I511 PolarHBondContact O-N 3.11Å; I511-N513 VanDerWaalsContact C-N 3.33Å; I511-N513 PolarHBondContact O-N 3.2Å; I511-G514 CarbonylContact O-C 3.55Å; I511-G514 WeakPolarHBondContact O-CA 3.35Å; I511-G514 PolarHBondContact O-N 2.97Å; I511-G514 VanDerWaalsContact O-N 3.13Å; I511-L515 HydrophobicContact CG2-CD1 4.25Å; I511-L515 HydrophobicContact CG2-CG 4.47Å; I511-L515 WeakPolarHBondContact O-CG 3.18Å; I511-L515 PolarHBondContact O-N 2.99Å; I511-V646 HydrophobicContact CG1-CG1 4.06Å
512I98.4Very high97.8Very high1 Ų153.5 Ų53.51%0.00527%0.271CS..Hα-helixtrans-61.7-42.3178.9-70.5168000110.8I349 Y351 N354 V356 L495 R508 L509 G514 L515 K516I349-I512 HydrophobicContact CG2-CG2 4.15Å; Y351-I512 HydrophobicContact CD1-CG2 3.99Å; Y351-I512 HydrophobicContact CE1-CG2 4.24Å; N354-I512 HydrophobicContact CB-CD1 4.06Å; N354-I512 VanDerWaalsContact O-CD1 3.25Å; N354-I512 WeakPolarHBondContact O-CD1 3.24Å; V356-I512 HydrophobicContact CG2-CD1 4.12Å; V356-I512 HydrophobicContact CG2-CG1 4.27Å; L495-I512 HydrophobicContact CD1-CG1 3.9Å; L495-I512 HydrophobicContact CD2-CG1 4.49Å; R508-I512 VanDerWaalsContact O-CG1 3.3Å; R508-I512 WeakPolarHBondContact O-CG1 3.46Å; R508-I512 PolarHBondContact O-N 2.93Å; L509-I512 PolarHBondContact O-N 3.32Å; I512-G514 VanDerWaalsContact C-N 3.33Å; I512-L515 PolarHBondContact O-N 3.19Å; I512-K516 PolarHBondContact O-N 3.48Å
513N97.9Very high98Very high73 Ų7350.3 Ų50.339%0.3925%0.251SS..Hα-helixtrans-64.4-39.3174.2-73.6-34.8000111.8L509 D510 I511 K516 M517L509-N513 WeakPolarHBondContact O-CB 3.22Å; L509-N513 VanDerWaalsContact O-CG 3.3Å; L509-N513 PolarHBondContact O-N 3.13Å; L509-N513 PolarHBondContact O-ND2 3.36Å; L509-N513 VanDerWaalsContact O-ND2 3.14Å; D510-N513 PolarHBondContact O-N 2.92Å; I511-N513 VanDerWaalsContact C-N 3.33Å; I511-N513 PolarHBondContact O-N 3.2Å; N513-K516 WeakPolarHBondContact O-CB 3.39Å; N513-K516 PolarHBondContact O-N 3Å; N513-M517 PolarHBondContact O-N 3.11Å
514G98.2Very high98.1Very high7 Ų750.8 Ų50.87%0.07224%0.239CC..Hα-helixtrans-60.3-45.6172.800000112.5D510 I511 I512 K516 M517 L518 L649D510-G514 PolarHBondContact O-N 3.14Å; I511-G514 CarbonylContact O-C 3.55Å; I511-G514 WeakPolarHBondContact O-CA 3.35Å; I511-G514 PolarHBondContact O-N 2.97Å; I511-G514 VanDerWaalsContact O-N 3.13Å; I512-G514 VanDerWaalsContact C-N 3.33Å; G514-K516 VanDerWaalsContact C-N 3.32Å; G514-K516 PolarHBondContact O-N 3.31Å; G514-M517 PolarHBondContact O-N 3.49Å; G514-L518 WeakPolarHBondContact O-CB 3.24Å; G514-L518 PolarHBondContact O-N 3.5Å; G514-L649 VanDerWaalsContact C-CD1 3.46Å
515L98.5Very high98.2Very high0 Ų049.6 Ų49.60%023%0.233CC..Hα-helixtrans-60.8-39.4175.6-75.2172000111.9M345 I349 V488 I491 L495 I511 I512 M517 L518 L649M345-L515 HydrophobicContact SD-CB 3.85Å; M345-L515 HydrophobicContact SD-CD2 4.08Å; M345-L515 HydrophobicContact SD-CG 4.45Å; I349-L515 HydrophobicContact CD1-CB 4.32Å; I349-L515 HydrophobicContact CD1-CD1 3.79Å; V488-L515 HydrophobicContact CG1-CD2 4.12Å; V488-L515 HydrophobicContact CG2-CD2 4.39Å; I491-L515 HydrophobicContact CG2-CD1 4.18Å; L495-L515 HydrophobicContact CD1-CD1 3.82Å; I511-L515 HydrophobicContact CG2-CD1 4.25Å; I511-L515 HydrophobicContact CG2-CG 4.47Å; I511-L515 WeakPolarHBondContact O-CG 3.18Å; I511-L515 PolarHBondContact O-N 2.99Å; I512-L515 PolarHBondContact O-N 3.19Å; L515-M517 VanDerWaalsContact C-N 3.29Å; L515-M517 PolarHBondContact O-N 3.06Å; L515-L518 HydrophobicContact CD2-CD2 4.13Å; L515-L518 WeakPolarHBondContact O-CB 3.13Å; L515-L518 PolarHBondContact O-N 2.92Å; L515-L649 HydrophobicContact CD2-CD1 4.39Å; L515-L649 HydrophobicContact CD2-CD2 3.63Å; L515-L649 HydrophobicContact CG-CD1 4.19Å; L515-L649 HydrophobicContact CG-CD2 4.14Å
516K97.9Very high98.3Very high110 Ų11047 Ų4748%0.47822%0.221SC..Hα-helixtrans-59.2-39.6175.2-167179.6178172.50112.4Y351 I512 N513 G514Y351-K516 HydrophobicContact CD1-CB 3.96Å; Y351-K516 HydrophobicContact CD1-CD 3.99Å; Y351-K516 HydrophobicContact CD1-CG 4Å; Y351-K516 HydrophobicContact CE1-CB 3.5Å; Y351-K516 HydrophobicContact CE1-CD 4.34Å; Y351-K516 HydrophobicContact CE1-CG 3.84Å; Y351-K516 HydrophobicContact CG-CD 4.31Å; Y351-K516 HydrophobicContact CG-CG 4.46Å; I512-K516 PolarHBondContact O-N 3.48Å; N513-K516 WeakPolarHBondContact O-CB 3.39Å; N513-K516 PolarHBondContact O-N 3Å; G514-K516 VanDerWaalsContact C-N 3.32Å; G514-K516 PolarHBondContact O-N 3.31Å
517M98.3Very high98.3Very high98 Ų9843.8 Ų43.848%0.48322%0.219SC..Hα-helixtrans-85.7-18.2-178.8-64.6-66.785.800113.7N513 G514 L515 P519 E520 L521N513-M517 PolarHBondContact O-N 3.11Å; G514-M517 PolarHBondContact O-N 3.49Å; L515-M517 VanDerWaalsContact C-N 3.29Å; L515-M517 PolarHBondContact O-N 3.06Å; M517-P519 VanDerWaalsContact C-CD 3.46Å; M517-E520 PolarHBondContact O-N 3.38Å; M517-E520 VanDerWaalsContact O-N 3.15Å; M517-L521 HydrophobicContact CB-CD1 4.45Å; M517-L521 HydrophobicContact CB-CG 4.49Å; M517-L521 WeakPolarHBondContact O-CG 3.39Å; M517-L521 PolarHBondContact O-N 3.47Å; M517-L521 VanDerWaalsContact O-N 3.09Å
518L98.4Very high98.3Very high0 Ų043.3 Ų43.30%022%0.22CC..Hα-helixtrans-53-43.6-172-173.962000114.3V341 V488 G514 L515 E520 L521 I522 I652 L653V341-L518 HydrophobicContact CG1-CD2 3.88Å; V341-L518 HydrophobicContact CG1-CG 4.27Å; V488-L518 HydrophobicContact CG2-CD2 4.05Å; G514-L518 WeakPolarHBondContact O-CB 3.24Å; G514-L518 PolarHBondContact O-N 3.5Å; L515-L518 HydrophobicContact CD2-CD2 4.13Å; L515-L518 WeakPolarHBondContact O-CB 3.13Å; L515-L518 PolarHBondContact O-N 2.92Å; L518-E520 VanDerWaalsContact C-N 3.35Å; L518-E520 PolarHBondContact O-N 3.43Å; L518-L521 PolarHBondContact O-N 2.94Å; L518-I522 HydrophobicContact CD1-CD1 4.36Å; L518-I522 HydrophobicContact CD1-CG1 4.34Å; L518-I522 HydrophobicContact CG-CD1 4.01Å; L518-I522 HydrophobicContact CG-CG1 4.44Å; L518-I522 VanDerWaalsContact O-CG1 3.31Å; L518-I522 WeakPolarHBondContact O-CG1 3.4Å; L518-I522 PolarHBondContact O-N 3.33Å; L518-I652 HydrophobicContact CD1-CB 4.36Å; L518-I652 HydrophobicContact CD1-CG2 4.1Å; L518-I652 HydrophobicContact CD2-CD1 3.7Å; L518-I652 HydrophobicContact CD2-CG2 4.34Å; L518-L653 HydrophobicContact CD1-CD2 3.92Å; L518-L653 HydrophobicContact CD1-CG 4.29Å
519P98.5Very high98.3Very high12 Ų1244 Ų448%0.07822%0.224CC..Hα-helixtrans-60.2-41.9179.5-2435.1000113.2P338 V341 V342 M345 M517 I522 K523P338-P519 HydrophobicContact CB-CB 4.45Å; V341-P519 HydrophobicContact CG1-CG 4.45Å; V342-P519 HydrophobicContact CG2-CB 3.83Å; V342-P519 HydrophobicContact CG2-CG 3.43Å; V342-P519 VanDerWaalsContact CG2-CG 3.43Å; M345-P519 HydrophobicContact CE-CG 4.14Å; M517-P519 VanDerWaalsContact C-CD 3.46Å; P519-I522 PolarHBondContact O-N 3.03Å; P519-K523 WeakPolarHBondContact O-CG 3.44Å; P519-K523 PolarHBondContact O-N 3.45Å; P519-K523 VanDerWaalsContact O-N 3.1Å
520E98.5Very high98.3Very high98 Ų9846.4 Ų46.446%0.45823%0.233SC..Hα-helixtrans-71.2-34.3178.1-67.4-55.7127.500111.8M517 L518 K523 K524M517-E520 PolarHBondContact O-N 3.38Å; M517-E520 VanDerWaalsContact O-N 3.15Å; L518-E520 VanDerWaalsContact C-N 3.35Å; L518-E520 PolarHBondContact O-N 3.43Å; E520-K523 PolarHBondContact O-N 3.22Å; E520-K523 IonicContact OE1-NZ 2.98Å; E520-K523 PolarHBondContact OE1-NZ 2.85Å; E520-K523 IonicContact OE2-NZ 3.29Å; E520-K524 WeakPolarHBondContact O-CG 3.39Å; E520-K524 PolarHBondContact O-N 3.28Å; E520-K524 VanDerWaalsContact O-N 3.14Å
521L98.6Very high98.3Very high20 Ų2046.8 Ų46.811%0.10523%0.232CC..Hα-helixtrans-66.7-38.1173-62.2-175.7000111.8M517 L518 K524 V525 P643 L653M517-L521 HydrophobicContact CB-CD1 4.45Å; M517-L521 HydrophobicContact CB-CG 4.49Å; M517-L521 WeakPolarHBondContact O-CG 3.39Å; M517-L521 PolarHBondContact O-N 3.47Å; M517-L521 VanDerWaalsContact O-N 3.09Å; L518-L521 PolarHBondContact O-N 2.94Å; L521-K524 HydrophobicContact CD2-CD 4.29Å; L521-K524 WeakPolarHBondContact O-CB 3.22Å; L521-K524 PolarHBondContact O-N 3.08Å; L521-V525 WeakPolarHBondContact O-CG2 3.45Å; L521-V525 PolarHBondContact O-N 2.87Å; L521-P643 HydrophobicContact CB-CG 4.28Å; L521-P643 HydrophobicContact CD2-CB 3.94Å; L521-P643 HydrophobicContact CD2-CG 4.18Å; L521-L653 HydrophobicContact CB-CD1 4.03Å; L521-L653 HydrophobicContact CB-CD2 3.87Å; L521-L653 HydrophobicContact CD1-CD1 4.11Å
522I98.8Very high98.3Very high0 Ų046.8 Ų46.80%023%0.232CC..Hα-helixtrans-61.1-46.3174-69.1166.6000110.3Q337 P338 V341 L518 P519 K524 V525 L526 I652 L653 I656Q337-I522 HydrophobicContact CB-CG2 4.04Å; P338-I522 HydrophobicContact CG-CB 4.29Å; P338-I522 HydrophobicContact CG-CG2 3.73Å; V341-I522 HydrophobicContact CB-CD1 4.32Å; V341-I522 HydrophobicContact CG2-CD1 3.85Å; L518-I522 HydrophobicContact CD1-CD1 4.36Å; L518-I522 HydrophobicContact CD1-CG1 4.34Å; L518-I522 HydrophobicContact CG-CD1 4.01Å; L518-I522 HydrophobicContact CG-CG1 4.44Å; L518-I522 VanDerWaalsContact O-CG1 3.31Å; L518-I522 WeakPolarHBondContact O-CG1 3.4Å; L518-I522 PolarHBondContact O-N 3.33Å; P519-I522 PolarHBondContact O-N 3.03Å; I522-K524 VanDerWaalsContact C-N 3.26Å; I522-K524 PolarHBondContact O-N 3.49Å; I522-V525 PolarHBondContact O-N 3.19Å; I522-L526 HydrophobicContact CG2-CD1 3.95Å; I522-L526 HydrophobicContact CG2-CG 4.19Å; I522-L526 WeakPolarHBondContact O-CG 3.26Å; I522-L526 PolarHBondContact O-N 2.92Å; I522-I652 HydrophobicContact CD1-CG2 4.14Å; I522-I652 HydrophobicContact CG1-CG2 4.48Å; I522-L653 HydrophobicContact CG1-CD2 3.84Å; I522-I656 HydrophobicContact CB-CD1 4.32Å; I522-I656 HydrophobicContact CG1-CD1 3.98Å; I522-I656 HydrophobicContact CG2-CD1 3.64Å
523K98.6Very high98.3Very high92 Ų9250.6 Ų50.640%0.425%0.248SC..Hα-helixtrans-56-40.8175.6-70.5175.7-175.2168.50112.4P338 P519 E520 L526 S527P338-K523 HydrophobicContact CB-CG 3.96Å; P338-K523 HydrophobicContact CG-CG 3.64Å; P519-K523 WeakPolarHBondContact O-CG 3.44Å; P519-K523 PolarHBondContact O-N 3.45Å; P519-K523 VanDerWaalsContact O-N 3.1Å; E520-K523 PolarHBondContact O-N 3.22Å; E520-K523 IonicContact OE1-NZ 2.98Å; E520-K523 PolarHBondContact OE1-NZ 2.85Å; E520-K523 IonicContact OE2-NZ 3.29Å; K523-L526 PolarHBondContact O-N 2.82Å; K523-S527 PolarHBondContact O-N 3.36Å
524K98.2Very high98.3Very high114 Ų11450.8 Ų50.850%0.49625%0.252SS..Hα-helixtrans-62.3-41.5174.6-69.8177.6-176.9-178.70112E520 L521 I522 S527 P643E520-K524 WeakPolarHBondContact O-CG 3.39Å; E520-K524 PolarHBondContact O-N 3.28Å; E520-K524 VanDerWaalsContact O-N 3.14Å; L521-K524 HydrophobicContact CD2-CD 4.29Å; L521-K524 WeakPolarHBondContact O-CB 3.22Å; L521-K524 PolarHBondContact O-N 3.08Å; I522-K524 VanDerWaalsContact C-N 3.26Å; I522-K524 PolarHBondContact O-N 3.49Å; K524-S527 WeakPolarHBondContact O-CB 3.47Å; K524-S527 PolarHBondContact O-N 2.9Å; K524-S527 PolarHBondContact O-OG 2.84Å; K524-P643 HydrophobicContact CB-CG 4.37Å
525V98.6Very high98.2Very high0 Ų050.6 Ų50.60%025%0.25CC..Hα-helixtrans-66.4-42.4176.1176.90000111.5L521 I522 S527 L528 L642 P643 L653 I656 P657L521-V525 WeakPolarHBondContact O-CG2 3.45Å; L521-V525 PolarHBondContact O-N 2.87Å; I522-V525 PolarHBondContact O-N 3.19Å; V525-S527 PolarHBondContact O-N 3.1Å; V525-L528 WeakPolarHBondContact O-CB 3.41Å; V525-L528 WeakPolarHBondContact O-CG 3.38Å; V525-L528 PolarHBondContact O-N 2.83Å; V525-L642 HydrophobicContact CG1-CD2 4.07Å; V525-L642 HydrophobicContact CG2-CD2 4.08Å; V525-P643 HydrophobicContact CG2-CG 4.06Å; V525-L653 HydrophobicContact CG2-CB 4.24Å; V525-L653 HydrophobicContact CG2-CD2 4.15Å; V525-I656 HydrophobicContact CG1-CB 3.97Å; V525-I656 HydrophobicContact CG1-CG2 3.89Å; V525-P657 HydrophobicContact CG1-CG 3.88Å
526L98.5Very high98.2Very high13 Ų1350.6 Ų50.67%0.06825%0.25CC..Hα-helixtrans-61.4-29176.6-68.1172.8000112.4I334 F335 P338 I522 K523 L528 D529 I656 L660I334-L526 HydrophobicContact CG2-CD2 3.78Å; F335-L526 HydrophobicContact CD1-CB 4.41Å; F335-L526 HydrophobicContact CD1-CD1 4.32Å; F335-L526 HydrophobicContact CD1-CD2 4.38Å; F335-L526 HydrophobicContact CE1-CB 4.29Å; F335-L526 HydrophobicContact CG-CD2 4.37Å; P338-L526 HydrophobicContact CG-CD1 3.87Å; I522-L526 HydrophobicContact CG2-CD1 3.95Å; I522-L526 HydrophobicContact CG2-CG 4.19Å; I522-L526 WeakPolarHBondContact O-CG 3.26Å; I522-L526 PolarHBondContact O-N 2.92Å; K523-L526 PolarHBondContact O-N 2.82Å; L526-L528 PolarHBondContact O-N 2.92Å; L526-L528 VanDerWaalsContact O-N 3.13Å; L526-D529 WeakPolarHBondContact O-CB 3.48Å; L526-D529 PolarHBondContact O-N 3.42Å; L526-I656 HydrophobicContact CD2-CG2 3.72Å; L526-I656 HydrophobicContact CG-CG2 4.47Å; L526-L660 HydrophobicContact CD2-CD1 4.34Å
527S98.3Very high98.2Very high93 Ų9348.9 Ų48.965%0.6525%0.246SC*.THydrogen-bonded Turntrans-64.6-12.7174.181.30000114.2K523 K524 V525 D529K523-S527 PolarHBondContact O-N 3.36Å; K524-S527 WeakPolarHBondContact O-CB 3.47Å; K524-S527 PolarHBondContact O-N 2.9Å; K524-S527 PolarHBondContact O-OG 2.84Å; V525-S527 PolarHBondContact O-N 3.1Å; S527-D529 PolarHBondContact O-N 2.97Å
528L97.8Very high98.1Very high33 Ų3348.1 Ų48.117%0.17324%0.241CC..THydrogen-bonded Turntrans-82.64176.4-55.1175.4000113.3V525 L526 E530 K531 I532 I640 E641 L642V525-L528 WeakPolarHBondContact O-CB 3.41Å; V525-L528 WeakPolarHBondContact O-CG 3.38Å; V525-L528 PolarHBondContact O-N 2.83Å; L526-L528 PolarHBondContact O-N 2.92Å; L526-L528 VanDerWaalsContact O-N 3.13Å; L528-E530 PolarHBondContact O-N 2.97Å; L528-K531 WeakPolarHBondContact O-CB 3.41Å; L528-K531 PolarHBondContact O-N 2.71Å; L528-I532 HydrophobicContact CB-CD1 4.09Å; L528-I532 WeakPolarHBondContact O-CG1 3.42Å; L528-I532 PolarHBondContact O-N 2.89Å; L528-I640 HydrophobicContact CD1-CG2 4.03Å; L528-E641 WeakPolarHBondContact CD1-O 3.38Å; L528-L642 HydrophobicContact CD1-CD2 3.92Å
529D98.3Very high98Very high23 Ų2348.7 Ų48.712%0.12324%0.244CC..Hα-helixtrans-49-50-174.6-171.459.8000113.6F335 L526 S527 K531 I532 K533 L660 H664F335-D529 HydrophobicContact CZ-CB 4.17Å; L526-D529 WeakPolarHBondContact O-CB 3.48Å; L526-D529 PolarHBondContact O-N 3.42Å; S527-D529 PolarHBondContact O-N 2.97Å; D529-K531 VanDerWaalsContact C-N 3.33Å; D529-K531 PolarHBondContact O-N 2.89Å; D529-I532 PolarHBondContact O-N 3.05Å; D529-I532 VanDerWaalsContact O-N 3.12Å; D529-K533 WeakPolarHBondContact O-CB 3.37Å; D529-K533 PolarHBondContact O-N 3.35Å; D529-L660 WeakPolarHBondContact OD1-CD2 3.48Å; D529-H664 IonicContact OD1-CD2 2.89Å; D529-H664 IonicContact OD1-CE1 2.87Å; D529-H664 IonicContact OD1-NE2 2.85Å; D529-H664 PolarHBondContact OD1-NE2 3.31Å; D529-H664 IonicContact OD2-CE1 3.42Å; D529-H664 IonicContact OD2-NE2 2.75Å
530E97.9Very high97.9Very high120 Ų12051.9 Ų51.956%0.56126%0.255SS*.Hα-helixtrans-64.2-34.9179.7-72.7-61.1149.100113.1L528 K533 T534L528-E530 PolarHBondContact O-N 2.97Å; E530-K533 PolarHBondContact O-N 2.98Å; E530-K533 IonicContact OE1-NZ 3.39Å; E530-T534 PolarHBondContact O-N 3.06Å; E530-T534 PolarHBondContact O-OG1 3.27Å
531K97.6Very high97.7Very high76 Ų7654.1 Ų54.133%0.3327%0.265SS..Hα-helixtrans-66.3-41.7174.7-171177.3-173.4-1770110.4L528 D529 T534 I535 T639 E641L528-K531 WeakPolarHBondContact O-CB 3.41Å; L528-K531 PolarHBondContact O-N 2.71Å; D529-K531 VanDerWaalsContact C-N 3.33Å; D529-K531 PolarHBondContact O-N 2.89Å; K531-T534 WeakPolarHBondContact O-CB 3.35Å; K531-T534 PolarHBondContact O-N 3.01Å; K531-I535 PolarHBondContact O-N 3.41Å; K531-T639 WeakPolarHBondContact CE-O 3.48Å; K531-T639 PolarHBondContact NZ-O 3.21Å; K531-E641 IonicContact NZ-OE1 2.58Å; K531-E641 PolarHBondContact NZ-OE1 3.48Å
532I98.3Very high97.6Very high0 Ų056.7 Ų56.70%028%0.277CS..Hα-helixtrans-68-41.2178.2-65.3160.1000110.8L528 D529 T534 I535 A536 I640 P657 L660 L661L528-I532 HydrophobicContact CB-CD1 4.09Å; L528-I532 WeakPolarHBondContact O-CG1 3.42Å; L528-I532 PolarHBondContact O-N 2.89Å; D529-I532 PolarHBondContact O-N 3.05Å; D529-I532 VanDerWaalsContact O-N 3.12Å; I532-T534 VanDerWaalsContact C-N 3.29Å; I532-T534 PolarHBondContact O-N 3.18Å; I532-I535 WeakPolarHBondContact O-CB 3.39Å; I532-I535 PolarHBondContact O-N 2.72Å; I532-I535 VanDerWaalsContact O-N 3.1Å; I532-A536 PolarHBondContact O-N 2.82Å; I532-I640 HydrophobicContact CG1-CD1 4.24Å; I532-P657 HydrophobicContact CD1-CB 3.9Å; I532-P657 HydrophobicContact CG1-CB 4.48Å; I532-L660 HydrophobicContact CD1-CB 4.02Å; I532-L660 HydrophobicContact CD1-CD1 3.59Å; I532-L660 HydrophobicContact CD1-CG 4.45Å; I532-L660 HydrophobicContact CG2-CB 3.94Å; I532-L661 HydrophobicContact CG2-CB 3.86Å; I532-L661 HydrophobicContact CG2-CD1 4.41Å
533K98.1Very high97.5Very high80 Ų8067 Ų6735%0.34832%0.316SS..Hα-helixtrans-59.4-38.7173.3-174.2178.9-179.8-179.10112.3D529 E530 I535 A536 N537D529-K533 WeakPolarHBondContact O-CB 3.37Å; D529-K533 PolarHBondContact O-N 3.35Å; E530-K533 PolarHBondContact O-N 2.98Å; E530-K533 IonicContact OE1-NZ 3.39Å; K533-I535 VanDerWaalsContact C-N 3.33Å; K533-I535 PolarHBondContact O-N 2.87Å; K533-A536 WeakPolarHBondContact O-CB 3.4Å; K533-A536 PolarHBondContact O-N 3.5Å; K533-N537 PolarHBondContact O-N 3.01Å; K533-N537 PolarHBondContact O-ND2 2.87Å
534T98.1Very high97.4Very high77 Ų7764.4 Ų64.447%0.47231%0.309SS..Hα-helixtrans-62.8-40.5173.9-56.60000111.6E530 K531 I532 N537E530-T534 PolarHBondContact O-N 3.06Å; E530-T534 PolarHBondContact O-OG1 3.27Å; K531-T534 WeakPolarHBondContact O-CB 3.35Å; K531-T534 PolarHBondContact O-N 3.01Å; I532-T534 VanDerWaalsContact C-N 3.29Å; I532-T534 PolarHBondContact O-N 3.18Å; T534-N537 PolarHBondContact O-N 3.47Å
535I97.6Very high97.3Very high4 Ų459 Ų592%0.02129%0.285CS..Hα-helixtrans-66.9-41.5174.5-67.1167.8000110.8K531 I532 K533 N537 E538 L539 I622 K638 I640 L661K531-I535 PolarHBondContact O-N 3.41Å; I532-I535 WeakPolarHBondContact O-CB 3.39Å; I532-I535 PolarHBondContact O-N 2.72Å; I532-I535 VanDerWaalsContact O-N 3.1Å; K533-I535 VanDerWaalsContact C-N 3.33Å; K533-I535 PolarHBondContact O-N 2.87Å; I535-N537 VanDerWaalsContact C-N 3.27Å; I535-N537 PolarHBondContact O-N 3.35Å; I535-E538 PolarHBondContact O-N 2.92Å; I535-E538 VanDerWaalsContact O-N 3.08Å; I535-L539 HydrophobicContact CG2-CD1 3.84Å; I535-L539 HydrophobicContact CG2-CG 4.35Å; I535-L539 PolarHBondContact O-N 3.45Å; I535-I622 HydrophobicContact CD1-CG2 4.23Å; I535-I622 HydrophobicContact CG2-CD1 3.69Å; I535-K638 HydrophobicContact CG1-CD 3.98Å; I535-I640 HydrophobicContact CD1-CD1 3.73Å; I535-I640 HydrophobicContact CD1-CG1 3.63Å; I535-L661 HydrophobicContact CG2-CD1 4.25Å
536A97.9Very high97.3Very high0 Ų059.3 Ų59.30%029%0.287CS..Hα-helixtrans-58.4-38.9176.800000112.2I532 K533 E538 L539 Y540 L661 H664 L665 L668I532-A536 PolarHBondContact O-N 2.82Å; K533-A536 WeakPolarHBondContact O-CB 3.4Å; K533-A536 PolarHBondContact O-N 3.5Å; A536-E538 PolarHBondContact O-N 3.04Å; A536-L539 PolarHBondContact O-N 3.19Å; A536-L539 VanDerWaalsContact O-N 3.11Å; A536-Y540 PolarHBondContact O-N 3.33Å; A536-L661 HydrophobicContact CB-CD1 3.84Å; A536-H664 HydrophobicContact CB-CB 3.55Å; A536-L665 HydrophobicContact CB-CD2 4.2Å; A536-L665 HydrophobicContact CB-CG 4.2Å; A536-L668 HydrophobicContact CB-CD1 3.85Å
537N97.4Very high97.3Very high74 Ų7458.7 Ų58.740%0.39628%0.284SS..Hα-helixtrans-60.8-24.3176.1-83.3-67.7000114.2K533 T534 I535 Y540 L668K533-N537 PolarHBondContact O-N 3.01Å; K533-N537 PolarHBondContact O-ND2 2.87Å; T534-N537 PolarHBondContact O-N 3.47Å; I535-N537 VanDerWaalsContact C-N 3.27Å; I535-N537 PolarHBondContact O-N 3.35Å; N537-Y540 WeakPolarHBondContact O-CD1 3.46Å; N537-Y540 WeakPolarHBondContact O-CE1 3.46Å; N537-L668 HydrophobicContact CB-CD1 4.43Å; N537-L668 VanDerWaalsContact OD1-CD2 3.31Å; N537-L668 WeakPolarHBondContact OD1-CD2 3.5Å
538E95.6Very high97.3Very high82 Ų8254.2 Ų54.238%0.38325%0.253SS..Hα-helixtrans-88.9-29.4174.6-70175.2-173.600112.4I535 A536 K638I535-E538 PolarHBondContact O-N 2.92Å; I535-E538 VanDerWaalsContact O-N 3.08Å; A536-E538 PolarHBondContact O-N 3.04Å; E538-K638 WeakPolarHBondContact OE1-CE 3.4Å; E538-K638 IonicContact OE1-NZ 3.69Å; E538-K638 PolarHBondContact OE1-NZ 3.47Å; E538-K638 WeakPolarHBondContact OE2-CE 3.34Å; E538-K638 IonicContact OE2-NZ 3.51Å; E538-K638 PolarHBondContact OE2-NZ 2.94Å
539L96.5Very high97.3Very high12 Ų1252.7 Ų52.76%0.06325%0.245CC..Hα-helixtrans-91.3-18.4-174.8-66.4-177.6000113.7I535 A536 Q541 Q542 L545 M570 P593 I622 L661 L665I535-L539 HydrophobicContact CG2-CD1 3.84Å; I535-L539 HydrophobicContact CG2-CG 4.35Å; I535-L539 PolarHBondContact O-N 3.45Å; A536-L539 PolarHBondContact O-N 3.19Å; A536-L539 VanDerWaalsContact O-N 3.11Å; L539-Q541 PolarHBondContact O-N 2.83Å; L539-Q541 VanDerWaalsContact O-N 3.08Å; L539-Q542 HydrophobicContact CD2-CG 4.29Å; L539-Q542 VanDerWaalsContact O-CB 3.26Å; L539-Q542 WeakPolarHBondContact O-CB 3.47Å; L539-Q542 PolarHBondContact O-N 2.95Å; L539-L545 HydrophobicContact CD1-CD1 4.5Å; L539-M570 VanDerWaalsContact O-CE 3.25Å; L539-M570 WeakPolarHBondContact O-CE 3.21Å; L539-P593 HydrophobicContact CD2-CB 3.85Å; L539-P593 HydrophobicContact CD2-CG 4.31Å; L539-I622 HydrophobicContact CD1-CD1 3.81Å; L539-I622 HydrophobicContact CD2-CD1 4.3Å; L539-I622 HydrophobicContact CG-CD1 4.35Å; L539-L661 HydrophobicContact CD1-CD1 4.33Å; L539-L661 HydrophobicContact CD1-CD2 4.33Å; L539-L665 HydrophobicContact CB-CD2 3.89Å
540Y96.4Very high97.1Very high79 Ų7955 Ų5531%0.3125%0.252SS..THydrogen-bonded Turntrans-61.7-26.2-17085.6-84.8000114.1A536 N537 L668 R669A536-Y540 PolarHBondContact O-N 3.33Å; N537-Y540 WeakPolarHBondContact O-CD1 3.46Å; N537-Y540 WeakPolarHBondContact O-CE1 3.46Å; Y540-L668 HydrophobicContact CD2-CB 4.49Å; Y540-L668 HydrophobicContact CG-CB 4.16Å; Y540-R669 VanDerWaalsContact O-CZ 3.24Å; Y540-R669 PolarHBondContact O-NE 2.68Å; Y540-R669 PolarHBondContact O-NH2 2.78Å
541Q95.3Very high97Very high144 Ų14450.5 Ų50.567%0.67324%0.238SC*.THydrogen-bonded Turntrans-83.6-12.2176.4-62.3-171.3-15.500113.6L539L539-Q541 PolarHBondContact O-N 2.83Å; L539-Q541 VanDerWaalsContact O-N 3.08Å
542Q96.1Very high97Very high74 Ų7447.2 Ų47.235%0.34622%0.224SC..  trans-72.1144.2-177.1-61.7-64.9-13.800111.6L539 M570 P593 R669L539-Q542 HydrophobicContact CD2-CG 4.29Å; L539-Q542 VanDerWaalsContact O-CB 3.26Å; L539-Q542 WeakPolarHBondContact O-CB 3.47Å; L539-Q542 PolarHBondContact O-N 2.95Å; Q542-M570 HydrophobicContact CB-CE 4.29Å; Q542-M570 WeakPolarHBondContact O-CE 3.43Å; Q542-P593 HydrophobicContact CB-CG 3.85Å; Q542-P593 HydrophobicContact CG-CG 3.57Å; Q542-R669 PolarHBondContact O-NH2 2.7Å
543R95.7Very high97Very high218 Ų21847.3 Ų47.382%0.82322%0.224SC*.SBendtrans-88-30.7179.6-67.4-176.6177.6172.5-0.1112.8M570 H571R543-M570 WeakPolarHBondContact O-CG 3.1Å; R543-H571 PolarHBondContact O-N 2.79Å
544S97.1Very high97Very high36 Ų3647.1 Ų47.125%0.25222%0.222SC..EExtended strand (participates in β ladder)trans-133.2152.8-175.3-61.40000111.9H571 P593S544-H571 CarbonylContact C-O 3.6Å; S544-H571 WeakPolarHBondContact CA-O 3.12Å; S544-P593 VanDerWaalsContact O-CD 3.29Å; S544-P593 WeakPolarHBondContact O-CD 3.47Å; S544-P593 WeakPolarHBondContact O-CG 2.88Å
545L97.3Very high97Very high0 Ų043.5 Ų43.50%020%0.199CC..EExtended strand (participates in β ladder)trans-152.6119.3179.2174.665.3000110.4L539 V547 I564 M570 H571 S572 E573 P593 I595L539-L545 HydrophobicContact CD1-CD1 4.5Å; L545-V547 HydrophobicContact CG-CG2 4.5Å; L545-I564 HydrophobicContact CD2-CD1 3.68Å; L545-I564 HydrophobicContact CD2-CG2 4.46Å; L545-M570 HydrophobicContact CB-SD 3.45Å; L545-M570 WeakPolarHBondContact CB-SD 3.43Å; L545-M570 HydrophobicContact CD2-SD 3.99Å; L545-M570 HydrophobicContact CG-SD 4.38Å; L545-H571 PolarHBondContact N-O 2.92Å; L545-S572 WeakPolarHBondContact O-CA 3.31Å; L545-S572 PolarHBondContact O-OG 2.89Å; L545-E573 PolarHBondContact O-N 3.38Å; L545-E573 VanDerWaalsContact O-N 3.13Å; L545-P593 HydrophobicContact CD1-CB 3.64Å; L545-I595 HydrophobicContact CD1-CD1 3.95Å; L545-I595 HydrophobicContact CD1-CG1 4.01Å; L545-I595 HydrophobicContact CD2-CD1 3.88Å; L545-I595 HydrophobicContact CG-CD1 4.31Å
546L98Very high97.1Very high7 Ų743.3 Ų43.34%0.03720%0.198CC..EExtended strand (participates in β ladder)trans-92.7133.3176.5-57.1-178.3000110.2M548 E573 I575 L587 I588 M592 P593 V594 I595L546-M548 HydrophobicContact CB-CE 4.02Å; L546-M548 HydrophobicContact CD1-CE 4.07Å; L546-E573 HydrophobicContact CD2-CB 3.99Å; L546-I575 HydrophobicContact CB-CD1 4.36Å; L546-I575 HydrophobicContact CD1-CD1 4.06Å; L546-I575 HydrophobicContact CD2-CD1 3.87Å; L546-I575 HydrophobicContact CG-CD1 4.31Å; L546-L587 HydrophobicContact CD1-CB 4.13Å; L546-L587 HydrophobicContact CD1-CD1 4.37Å; L546-I588 HydrophobicContact CD1-CD1 3.64Å; L546-M592 HydrophobicContact CD1-CG 3.97Å; L546-M592 HydrophobicContact CD1-SD 4.27Å; L546-M592 HydrophobicContact CG-CG 4.24Å; L546-M592 HydrophobicContact CG-SD 4.03Å; L546-P593 PolarHBondContact N-O 2.99Å; L546-V594 CarbonylContact O-C 3.45Å; L546-V594 WeakPolarHBondContact O-CA 2.84Å; L546-I595 PolarHBondContact O-N 3.19Å
547V98.3Very high97.1Very high0 Ų043.3 Ų43.30%020%0.198CC..EExtended strand (participates in β ladder)trans-116.5121.9176.6-168.30000108.6L545 C557 A561 E573 G574 I575 I595 L658L545-V547 HydrophobicContact CG-CG2 4.5Å; V547-C557 HydrophobicContact CB-CB 4.28Å; V547-C557 HydrophobicContact CG1-CB 3.91Å; V547-A561 HydrophobicContact CG2-CB 4.41Å; V547-E573 PolarHBondContact N-O 2.61Å; V547-G574 CarbonylContact O-C 3.54Å; V547-G574 WeakPolarHBondContact O-CA 3.3Å; V547-I575 PolarHBondContact O-N 3.39Å; V547-I595 CarbonylContact C-O 3.36Å; V547-I595 WeakPolarHBondContact CA-O 3.45Å; V547-I595 HydrophobicContact CG1-CB 4.37Å; V547-I595 HydrophobicContact CG1-CG2 4.29Å; V547-L658 HydrophobicContact CG1-CD1 4.08Å
548M98.1Very high97.1Very high0 Ų041.2 Ų41.20%019%0.187CC..EExtended strand (participates in β ladder)trans-123.2137.8-170.7-58.4175.2-17400112.5L546 C557 I575 L580 I588 V594 I595 M596 V597 V614L546-M548 HydrophobicContact CB-CE 4.02Å; L546-M548 HydrophobicContact CD1-CE 4.07Å; M548-C557 PolarHBondContact O-SG 3.42Å; M548-I575 WeakPolarHBondContact CA-O 3.26Å; M548-I575 HydrophobicContact CG-CB 4.32Å; M548-L580 HydrophobicContact CE-CD2 3.65Å; M548-L580 HydrophobicContact SD-CD1 3.98Å; M548-L580 HydrophobicContact SD-CD2 3.65Å; M548-L580 HydrophobicContact SD-CG 4.4Å; M548-I588 HydrophobicContact CE-CD1 3.54Å; M548-I588 HydrophobicContact CE-CG1 4.4Å; M548-V594 HydrophobicContact CE-CG1 3.72Å; M548-V594 HydrophobicContact CE-CG2 4.34Å; M548-V594 HydrophobicContact CG-CG1 4.33Å; M548-V594 HydrophobicContact SD-CG1 3.76Å; M548-I595 PolarHBondContact N-O 2.88Å; M548-M596 HydrophobicContact CB-CE 4.41Å; M548-M596 HydrophobicContact CB-CG 4.23Å; M548-M596 CarbonylContact O-C 3.59Å; M548-M596 WeakPolarHBondContact O-CA 3.4Å; M548-M596 HydrophobicContact SD-CE 4.35Å; M548-M596 HydrophobicContact SD-CG 4.37Å; M548-V597 PolarHBondContact O-N 3.09Å; M548-V614 HydrophobicContact CE-CG2 4.4Å; M548-V614 HydrophobicContact SD-CG2 3.96Å
549G97.3Very high97.3Very high1 Ų137.3 Ų37.31%0.0117%0.169CC..EExtended strand (participates in β ladder)trans-169.4175.6-179.400000111.7C557 I575 A577G549-C557 WeakPolarHBondContact CA-SG 3.34Å; G549-C557 PolarHBondContact N-SG 3.01Å; G549-I575 PolarHBondContact N-O 3.5Å; G549-A577 PolarHBondContact O-N 3.26Å
550R95.3Very high97.4Very high70 Ų7036.8 Ų36.826%0.26417%0.166SC..  trans-152.3159.4-175.3-165174.8-138.2162.5-4.7110.9Y552 N553 L576 A577R550-Y552 PolarHBondContact O-N 3.01Å; R550-N553 PolarHBondContact O-N 3.29Å; R550-N553 VanDerWaalsContact O-N 3.16Å; R550-L576 HydrophobicContact CB-CD1 4.37Å; R550-L576 HydrophobicContact CG-CD1 4.07Å; R550-A577 HydrophobicContact CB-CB 4.4Å
551G96.1Very high97.5Very high26 Ų2633 Ų3327%0.26815%0.151SC..G310 helixtrans61.4-132.9-179.700000110.4N553 Y554G551-N553 PolarHBondContact O-N 3.2Å; G551-Y554 WeakPolarHBondContact O-CB 3.47Å; G551-Y554 PolarHBondContact O-N 3.05Å
552Y97.2Very high97.6Very high8 Ų827.8 Ų27.83%0.03113%0.128CC..G310 helixtrans-53.7-27.2176.3-71.4-62.7000114Q391 L392 E395 R550 D647 C648Q391-Y552 HydrophobicContact CB-CD1 4.37Å; Q391-Y552 HydrophobicContact CB-CE1 3.82Å; Q391-Y552 HydrophobicContact CG-CE1 4.01Å; L392-Y552 HydrophobicContact CB-CE1 4.25Å; E395-Y552 PolarHBondContact OE2-OH 2.78Å; R550-Y552 PolarHBondContact O-N 3.01Å; Y552-D647 HydrophobicContact CD2-CB 4.08Å; Y552-D647 HydrophobicContact CE2-CB 4.02Å; Y552-C648 HydrophobicContact CD1-CB 4.27Å; Y552-C648 HydrophobicContact CE1-CB 3.65Å; Y552-C648 HydrophobicContact CE2-CB 4.27Å
553N97.8Very high97.7Very high2 Ų224.3 Ų24.31%0.01111%0.112CC..G310 helixtrans-912.7-178.5-64-73.7000113.8R550 G551 T556 C557 V597 D601 S654R550-N553 PolarHBondContact O-N 3.29Å; R550-N553 VanDerWaalsContact O-N 3.16Å; G551-N553 PolarHBondContact O-N 3.2Å; N553-T556 WeakPolarHBondContact O-CB 3.36Å; N553-T556 PolarHBondContact O-N 3.46Å; N553-C557 PolarHBondContact O-N 3.26Å; N553-C557 PolarHBondContact O-SG 3.26Å; N553-V597 HydrophobicContact CB-CB 4.15Å; N553-V597 HydrophobicContact CB-CG1 3.75Å; N553-V597 WeakPolarHBondContact OD1-CG1 3.45Å; N553-D601 PolarHBondContact ND2-OD2 3.08Å; N553-S654 PolarHBondContact OD1-OG 2.78Å
554Y98.4Very high97.7Very high75 Ų7514 Ų1429%0.2947%0.073SC..Hα-helixtrans-65.3-45.2174.7176.9-131000111.4V387 G551 T556 C557 L558 L576V387-Y554 HydrophobicContact CG1-CD1 4.04Å; V387-Y554 HydrophobicContact CG1-CE1 4.42Å; G551-Y554 WeakPolarHBondContact O-CB 3.47Å; G551-Y554 PolarHBondContact O-N 3.05Å; Y554-T556 VanDerWaalsContact C-N 3.29Å; Y554-T556 PolarHBondContact O-N 2.68Å; Y554-C557 WeakPolarHBondContact O-CB 3.26Å; Y554-C557 PolarHBondContact O-N 3.26Å; Y554-C557 VanDerWaalsContact O-N 3.09Å; Y554-L558 HydrophobicContact CD1-CD1 4.28Å; Y554-L558 HydrophobicContact CD2-CG 4.36Å; Y554-L558 HydrophobicContact CE1-CD1 3.77Å; Y554-L558 HydrophobicContact CE1-CG 4.45Å; Y554-L558 HydrophobicContact CE2-CD1 4.12Å; Y554-L558 HydrophobicContact CE2-CD2 3.9Å; Y554-L558 HydrophobicContact CE2-CG 3.91Å; Y554-L558 PolarHBondContact O-N 2.73Å; Y554-L558 VanDerWaalsContact O-N 3.15Å; Y554-L576 HydrophobicContact CD2-CB 3.96Å; Y554-L576 HydrophobicContact CD2-CD1 3.79Å; Y554-L576 HydrophobicContact CD2-CG 4.47Å; Y554-L576 HydrophobicContact CE2-CB 3.76Å; Y554-L576 HydrophobicContact CE2-CD1 4.37Å; Y554-L576 HydrophobicContact CG-CD1 3.9Å
555A98.2Very high97.7Very high1 Ų116 Ų161%0.0088%0.077CC..Hα-helixtrans-61.1-38175.500000112.3V387 A388 C557 L558 E559V387-A555 HydrophobicContact CB-CB 4.13Å; V387-A555 HydrophobicContact CG1-CB 4Å; A388-A555 VanDerWaalsContact CA-CB 3.41Å; A388-A555 HydrophobicContact CB-CB 3.45Å; A388-A555 VanDerWaalsContact CB-CB 3.45Å; A555-C557 PolarHBondContact O-N 2.67Å; A555-L558 PolarHBondContact O-N 3.3Å; A555-E559 VanDerWaalsContact O-CB 3.31Å; A555-E559 WeakPolarHBondContact O-CB 3.03Å; A555-E559 PolarHBondContact O-N 3.14Å
556T98.6Very high97.5Very high0 Ų018 Ų180%09%0.086CC..Hα-helixtrans-54.4-42.3173.2-57.70000111.7N553 Y554 G560 V597 S654 V655 L658N553-T556 WeakPolarHBondContact O-CB 3.36Å; N553-T556 PolarHBondContact O-N 3.46Å; Y554-T556 VanDerWaalsContact C-N 3.29Å; Y554-T556 PolarHBondContact O-N 2.68Å; T556-G560 PolarHBondContact O-N 2.95Å; T556-V597 HydrophobicContact CG2-CG2 4.26Å; T556-S654 WeakPolarHBondContact CG2-OG 3.1Å; T556-S654 PolarHBondContact OG1-OG 2.94Å; T556-V655 HydrophobicContact CG2-CB 4.24Å; T556-L658 HydrophobicContact CG2-CD1 3.86Å
557C98.4Very high97.3Very high0 Ų017.6 Ų17.60%08%0.084CC..Hα-helixtrans-70.6-42.7-179.7-59.50000112.5V547 M548 G549 N553 Y554 A555 A561V547-C557 HydrophobicContact CB-CB 4.28Å; V547-C557 HydrophobicContact CG1-CB 3.91Å; M548-C557 PolarHBondContact O-SG 3.42Å; G549-C557 WeakPolarHBondContact CA-SG 3.34Å; G549-C557 PolarHBondContact N-SG 3.01Å; N553-C557 PolarHBondContact O-N 3.26Å; N553-C557 PolarHBondContact O-SG 3.26Å; Y554-C557 WeakPolarHBondContact O-CB 3.26Å; Y554-C557 PolarHBondContact O-N 3.26Å; Y554-C557 VanDerWaalsContact O-N 3.09Å; A555-C557 PolarHBondContact O-N 2.67Å; C557-A561 WeakPolarHBondContact O-CB 3.16Å; C557-A561 PolarHBondContact O-N 2.87Å
558L98.6Very high97.2Very high31 Ų3117.6 Ų17.616%0.1628%0.084CC..Hα-helixtrans-61.9-46.3175.8-63.7178.6000111.3Y554 A555 L562Y554-L558 HydrophobicContact CD1-CD1 4.28Å; Y554-L558 HydrophobicContact CD2-CG 4.36Å; Y554-L558 HydrophobicContact CE1-CD1 3.77Å; Y554-L558 HydrophobicContact CE1-CG 4.45Å; Y554-L558 HydrophobicContact CE2-CD1 4.12Å; Y554-L558 HydrophobicContact CE2-CD2 3.9Å; Y554-L558 HydrophobicContact CE2-CG 3.91Å; Y554-L558 PolarHBondContact O-N 2.73Å; Y554-L558 VanDerWaalsContact O-N 3.15Å; A555-L558 PolarHBondContact O-N 3.3Å; L558-L562 WeakPolarHBondContact O-CB 3.29Å; L558-L562 PolarHBondContact O-N 3.03Å
559E98.6Very high97.1Very high0 Ų020.4 Ų20.40%010%0.095CC..Hα-helixtrans-67.5-47.7-179.5178.954.9-158.400112.1T381 H384 Y483 A555 A561 L562 K563 V655T381-E559 WeakPolarHBondContact CA-OE2 3.37Å; T381-E559 WeakPolarHBondContact CB-OE2 3.46Å; T381-E559 VanDerWaalsContact CG2-OE1 3.3Å; T381-E559 WeakPolarHBondContact CG2-OE1 3.32Å; T381-E559 WeakPolarHBondContact CG2-OE2 3.43Å; T381-E559 PolarHBondContact OG1-OE1 2.82Å; T381-E559 VanDerWaalsContact OG1-OE1 3.07Å; T381-E559 PolarHBondContact OG1-OE2 2.76Å; H384-E559 HydrophobicContact CB-CB 4.26Å; H384-E559 IonicContact CE1-OE2 3.38Å; H384-E559 IonicContact CG-OE2 2.81Å; H384-E559 WeakPolarHBondContact ND1-CA 3.17Å; H384-E559 IonicContact ND1-OE2 3.9Å; H384-E559 PolarHBondContact ND1-OE2 2.83Å; Y483-E559 HydrophobicContact CD2-CG 4.39Å; Y483-E559 HydrophobicContact CE1-CG 4.47Å; Y483-E559 HydrophobicContact CE2-CB 4.49Å; Y483-E559 HydrophobicContact CE2-CG 4.23Å; A555-E559 VanDerWaalsContact O-CB 3.31Å; A555-E559 WeakPolarHBondContact O-CB 3.03Å; A555-E559 PolarHBondContact O-N 3.14Å; E559-A561 VanDerWaalsContact C-N 3.32Å; E559-A561 PolarHBondContact O-N 3.3Å; E559-L562 WeakPolarHBondContact O-CB 3.38Å; E559-L562 PolarHBondContact O-N 3.34Å; E559-L562 VanDerWaalsContact O-N 3.13Å; E559-K563 WeakPolarHBondContact O-CG 3.32Å; E559-K563 PolarHBondContact O-N 2.74Å; E559-K563 VanDerWaalsContact OE1-CD 3.31Å; E559-K563 WeakPolarHBondContact OE1-CD 3.35Å; E559-K563 WeakPolarHBondContact OE1-CE 3.21Å; E559-K563 WeakPolarHBondContact OE1-CG 3.45Å; E559-K563 IonicContact OE1-NZ 2.97Å; E559-V655 HydrophobicContact CB-CG2 4.17Å; E559-V655 HydrophobicContact CG-CG2 3.69Å
560G98.2Very high97Very high0 Ų020.5 Ų20.50%010%0.095CC..Hα-helixtrans-59.2-44.2176.500000112.2T556 L562 K563 I564T556-G560 PolarHBondContact O-N 2.95Å; G560-L562 VanDerWaalsContact C-N 3.32Å; G560-L562 PolarHBondContact O-N 3.21Å; G560-K563 PolarHBondContact O-N 2.87Å; G560-I564 WeakPolarHBondContact O-CB 3.32Å; G560-I564 WeakPolarHBondContact O-CD1 3.31Å; G560-I564 VanDerWaalsContact O-CG1 3.28Å; G560-I564 WeakPolarHBondContact O-CG1 3.42Å; G560-I564 PolarHBondContact O-N 3.43Å
561A98.3Very high97.1Very high0 Ų022.5 Ų22.50%011%0.107CC..Hα-helixtrans-62.7-39.5175.600000112.1V547 C557 E559 K565 S572V547-A561 HydrophobicContact CG2-CB 4.41Å; C557-A561 WeakPolarHBondContact O-CB 3.16Å; C557-A561 PolarHBondContact O-N 2.87Å; E559-A561 VanDerWaalsContact C-N 3.32Å; E559-A561 PolarHBondContact O-N 3.3Å; A561-K565 WeakPolarHBondContact O-CB 3.41Å; A561-K565 WeakPolarHBondContact O-CE 3.22Å; A561-K565 WeakPolarHBondContact O-CG 3.27Å; A561-K565 PolarHBondContact O-N 3.45Å; A561-S572 WeakPolarHBondContact CA-OG 3.47Å
562L98.1Very high97.2Very high34 Ų3421.2 Ų21.218%0.17810%0.095CC..Hα-helixtrans-63.1-49.2175.4-179.562000111.5L558 E559 G560 I564 K565 E566L558-L562 WeakPolarHBondContact O-CB 3.29Å; L558-L562 PolarHBondContact O-N 3.03Å; E559-L562 WeakPolarHBondContact O-CB 3.38Å; E559-L562 PolarHBondContact O-N 3.34Å; E559-L562 VanDerWaalsContact O-N 3.13Å; G560-L562 VanDerWaalsContact C-N 3.32Å; G560-L562 PolarHBondContact O-N 3.21Å; L562-I564 PolarHBondContact O-N 3.23Å; L562-K565 WeakPolarHBondContact O-CB 3.48Å; L562-K565 PolarHBondContact O-N 3.27Å; L562-K565 VanDerWaalsContact O-N 3.15Å; L562-E566 HydrophobicContact CD1-CG 3.96Å; L562-E566 VanDerWaalsContact CD1-OE1 3.29Å; L562-E566 WeakPolarHBondContact CD1-OE1 3.47Å; L562-E566 HydrophobicContact CG-CG 4.25Å; L562-E566 WeakPolarHBondContact CG-OE1 3.39Å; L562-E566 WeakPolarHBondContact O-CB 3.48Å; L562-E566 WeakPolarHBondContact O-CG 3.47Å; L562-E566 PolarHBondContact O-N 2.98Å
563K97.8Very high97.3Very high2 Ų224.6 Ų24.61%0.00911%0.111CC..Hα-helixtrans-57.4-48.1177.1-66.2-52.389171.80111.9T381 A478 E559 G560 K565 E566 I567T381-K563 PolarHBondContact OG1-NZ 3.09Å; T381-K563 VanDerWaalsContact OG1-NZ 3.08Å; A478-K563 HydrophobicContact CB-CD 4.16Å; E559-K563 WeakPolarHBondContact O-CG 3.32Å; E559-K563 PolarHBondContact O-N 2.74Å; E559-K563 VanDerWaalsContact OE1-CD 3.31Å; E559-K563 WeakPolarHBondContact OE1-CD 3.35Å; E559-K563 WeakPolarHBondContact OE1-CE 3.21Å; E559-K563 WeakPolarHBondContact OE1-CG 3.45Å; E559-K563 IonicContact OE1-NZ 2.97Å; G560-K563 PolarHBondContact O-N 2.87Å; K563-K565 VanDerWaalsContact C-N 3.32Å; K563-K565 PolarHBondContact O-N 2.84Å; K563-E566 WeakPolarHBondContact CE-OE2 3.49Å; K563-E566 IonicContact NZ-OE1 2.61Å; K563-E566 IonicContact NZ-OE2 2.74Å; K563-E566 PolarHBondContact NZ-OE2 2.94Å; K563-E566 PolarHBondContact O-N 3.03Å; K563-I567 WeakPolarHBondContact O-CG1 3.15Å; K563-I567 PolarHBondContact O-N 2.95Å
564I97.4Very high97.3Very high0 Ų025.1 Ų25.10%012%0.116CC..Hα-helixtrans-59.1-44.9177.6-68158.7000110.4L545 G560 L562 T568 M570 L661 L665L545-I564 HydrophobicContact CD2-CD1 3.68Å; L545-I564 HydrophobicContact CD2-CG2 4.46Å; G560-I564 WeakPolarHBondContact O-CB 3.32Å; G560-I564 WeakPolarHBondContact O-CD1 3.31Å; G560-I564 VanDerWaalsContact O-CG1 3.28Å; G560-I564 WeakPolarHBondContact O-CG1 3.42Å; G560-I564 PolarHBondContact O-N 3.43Å; L562-I564 PolarHBondContact O-N 3.23Å; I564-T568 HydrophobicContact CG2-CG2 4.37Å; I564-T568 VanDerWaalsContact O-CB 3.26Å; I564-T568 WeakPolarHBondContact O-CB 3.47Å; I564-T568 WeakPolarHBondContact O-CG2 3.41Å; I564-T568 PolarHBondContact O-N 2.93Å; I564-T568 PolarHBondContact O-OG1 2.95Å; I564-M570 HydrophobicContact CG2-CB 3.93Å; I564-M570 HydrophobicContact CG2-CG 4.45Å; I564-M570 HydrophobicContact CG2-SD 4.07Å; I564-L661 HydrophobicContact CD1-CD2 4.44Å; I564-L665 HydrophobicContact CG2-CD1 4.48Å
565K95.5Very high97.2Very high80 Ų8021.9 Ų21.935%0.34810%0.104SC..Hα-helixtrans-60.1-50176.6-83.6177.6-77.4-158.70112.7A561 L562 K563 I567 Y569 M570 S572A561-K565 WeakPolarHBondContact O-CB 3.41Å; A561-K565 WeakPolarHBondContact O-CE 3.22Å; A561-K565 WeakPolarHBondContact O-CG 3.27Å; A561-K565 PolarHBondContact O-N 3.45Å; L562-K565 WeakPolarHBondContact O-CB 3.48Å; L562-K565 PolarHBondContact O-N 3.27Å; L562-K565 VanDerWaalsContact O-N 3.15Å; K563-K565 VanDerWaalsContact C-N 3.32Å; K563-K565 PolarHBondContact O-N 2.84Å; K565-I567 PolarHBondContact O-N 2.88Å; K565-Y569 WeakPolarHBondContact O-CA 3.45Å; K565-Y569 PolarHBondContact O-N 3.48Å; K565-M570 WeakPolarHBondContact CG-O 3.41Å; K565-S572 WeakPolarHBondContact CD-O 3.41Å; K565-S572 WeakPolarHBondContact CE-O 3.47Å; K565-S572 PolarHBondContact NZ-O 2.99Å
566E93.9Very high97.2Very high40 Ų4024.3 Ų24.319%0.18712%0.117CC..Hα-helixtrans-61.3-45.7-172.7-76.7175.3-178.900112.8L562 K563 Y569 P676 L679L562-E566 HydrophobicContact CD1-CG 3.96Å; L562-E566 VanDerWaalsContact CD1-OE1 3.29Å; L562-E566 WeakPolarHBondContact CD1-OE1 3.47Å; L562-E566 HydrophobicContact CG-CG 4.25Å; L562-E566 WeakPolarHBondContact CG-OE1 3.39Å; L562-E566 WeakPolarHBondContact O-CB 3.48Å; L562-E566 WeakPolarHBondContact O-CG 3.47Å; L562-E566 PolarHBondContact O-N 2.98Å; K563-E566 WeakPolarHBondContact CE-OE2 3.49Å; K563-E566 IonicContact NZ-OE1 2.61Å; K563-E566 IonicContact NZ-OE2 2.74Å; K563-E566 PolarHBondContact NZ-OE2 2.94Å; K563-E566 PolarHBondContact O-N 3.03Å; E566-Y569 VanDerWaalsContact O-CE1 3.31Å; E566-Y569 WeakPolarHBondContact O-CE1 3.38Å; E566-P676 WeakPolarHBondContact O-CB 3.33Å; E566-L679 HydrophobicContact CB-CD1 4.15Å; E566-L679 HydrophobicContact CG-CD1 4.05Å
567I94.4Very high97Very high0 Ų024.5 Ų24.50%012%0.119CC..Hα-helixtrans-105.6-24.5-169.372.8-170.5000113.9M330 A478 K563 K565 S662 A666 P676M330-I567 HydrophobicContact CE-CD1 3.4Å; M330-I567 VanDerWaalsContact CE-CD1 3.4Å; M330-I567 HydrophobicContact SD-CD1 3.43Å; M330-I567 WeakPolarHBondContact SD-CD1 3.45Å; M330-I567 HydrophobicContact SD-CG2 4.48Å; A478-I567 HydrophobicContact CB-CG2 3.83Å; K563-I567 WeakPolarHBondContact O-CG1 3.15Å; K563-I567 PolarHBondContact O-N 2.95Å; K565-I567 PolarHBondContact O-N 2.88Å; I567-S662 VanDerWaalsContact CD1-C 3.46Å; I567-S662 WeakPolarHBondContact CD1-O 3.17Å; I567-S662 VanDerWaalsContact CD1-OG 3.31Å; I567-S662 WeakPolarHBondContact CD1-OG 3.49Å; I567-A666 HydrophobicContact CB-CB 4.33Å; I567-A666 HydrophobicContact CG1-CB 4.03Å; I567-A666 WeakPolarHBondContact O-CB 3.37Å; I567-P676 HydrophobicContact CG2-CB 4.46Å
568T96Very high96.9Very high0 Ų025.2 Ų25.20%013%0.125CC..Hα-helixtrans-100.7-17.1-178.683.60000112.6I564 M570 S662 L665 A666 R669 Y671I564-T568 HydrophobicContact CG2-CG2 4.37Å; I564-T568 VanDerWaalsContact O-CB 3.26Å; I564-T568 WeakPolarHBondContact O-CB 3.47Å; I564-T568 WeakPolarHBondContact O-CG2 3.41Å; I564-T568 PolarHBondContact O-N 2.93Å; I564-T568 PolarHBondContact O-OG1 2.95Å; T568-M570 PolarHBondContact O-N 3.27Å; T568-M570 WeakPolarHBondContact OG1-CB 3.35Å; T568-M570 PolarHBondContact OG1-N 3.16Å; T568-M570 VanDerWaalsContact OG1-N 3.09Å; T568-S662 VanDerWaalsContact CG2-O 3.28Å; T568-S662 WeakPolarHBondContact CG2-O 3.35Å; T568-L665 HydrophobicContact CG2-CB 3.49Å; T568-L665 VanDerWaalsContact CG2-CB 3.49Å; T568-L665 HydrophobicContact CG2-CD1 4.27Å; T568-A666 HydrophobicContact CG2-CB 4.23Å; T568-R669 PolarHBondContact O-NH1 3.18Å; T568-Y671 VanDerWaalsContact O-CE2 3.3Å; T568-Y671 WeakPolarHBondContact O-CE2 3.42Å
569Y95.5Very high96.7Very high58 Ų5828.1 Ų28.123%0.22714%0.138CC..  trans56.216-170.6-38-51.7000114.5K565 E566 Y671 P676 R677K565-Y569 WeakPolarHBondContact O-CA 3.45Å; K565-Y569 PolarHBondContact O-N 3.48Å; E566-Y569 VanDerWaalsContact O-CE1 3.31Å; E566-Y569 WeakPolarHBondContact O-CE1 3.38Å; Y569-Y671 AromaticContact CD2-CD2 3.62Å; Y569-Y671 HydrophobicContact CD2-CD2 3.62Å; Y569-Y671 HydrophobicContact CD2-CE1 4.31Å; Y569-Y671 AromaticContact CD2-CE2 3.31Å; Y569-Y671 HydrophobicContact CD2-CE2 3.31Å; Y569-Y671 HydrophobicContact CD2-CG 4.25Å; Y569-Y671 AromaticContact CD2-CZ 3.71Å; Y569-Y671 HydrophobicContact CE2-CD1 4.05Å; Y569-Y671 AromaticContact CE2-CD2 3.55Å; Y569-Y671 HydrophobicContact CE2-CD2 3.55Å; Y569-Y671 HydrophobicContact CE2-CE1 4.2Å; Y569-Y671 AromaticContact CE2-CE2 3.7Å; Y569-Y671 HydrophobicContact CE2-CE2 3.7Å; Y569-Y671 AromaticContact CE2-CG 3.75Å; Y569-Y671 HydrophobicContact CE2-CG 3.75Å; Y569-Y671 HydrophobicContact CG-CE2 4.34Å; Y569-P676 HydrophobicContact CE1-CB 4.49Å; Y569-P676 WeakPolarHBondContact OH-CA 3.15Å; Y569-R677 HydrophobicContact CD1-CG 4.42Å; Y569-R677 HydrophobicContact CE1-CG 3.64Å; Y569-R677 HydrophobicContact CE2-CG 4.22Å; Y569-R677 PolarHBondContact OH-N 3.47Å
570M95.7Very high96.5Very high3 Ų328.1 Ų28.12%0.01514%0.138CC..  trans-71.6138.3166.6-171.8-173.7-72.200108.6L539 Q542 R543 L545 I564 K565 T568 S572 L665L539-M570 VanDerWaalsContact O-CE 3.25Å; L539-M570 WeakPolarHBondContact O-CE 3.21Å; Q542-M570 HydrophobicContact CB-CE 4.29Å; Q542-M570 WeakPolarHBondContact O-CE 3.43Å; R543-M570 WeakPolarHBondContact O-CG 3.1Å; L545-M570 HydrophobicContact CB-SD 3.45Å; L545-M570 WeakPolarHBondContact CB-SD 3.43Å; L545-M570 HydrophobicContact CD2-SD 3.99Å; L545-M570 HydrophobicContact CG-SD 4.38Å; I564-M570 HydrophobicContact CG2-CB 3.93Å; I564-M570 HydrophobicContact CG2-CG 4.45Å; I564-M570 HydrophobicContact CG2-SD 4.07Å; K565-M570 WeakPolarHBondContact CG-O 3.41Å; T568-M570 PolarHBondContact O-N 3.27Å; T568-M570 WeakPolarHBondContact OG1-CB 3.35Å; T568-M570 PolarHBondContact OG1-N 3.16Å; T568-M570 VanDerWaalsContact OG1-N 3.09Å; M570-S572 PolarHBondContact O-N 3.02Å; M570-L665 HydrophobicContact CE-CD1 4.07Å; M570-L665 HydrophobicContact CE-CD2 4.15Å
571H97.6Very high96.2Very high112 Ų11234.9 Ų34.952%0.51917%0.168SC..EExtended strand (participates in β ladder)trans-71.798.2172.5179.5-160.9000109.3R543 S544 L545R543-H571 PolarHBondContact O-N 2.79Å; S544-H571 CarbonylContact C-O 3.6Å; S544-H571 WeakPolarHBondContact CA-O 3.12Å; L545-H571 PolarHBondContact N-O 2.92Å
572S97.6Very high96Very high0 Ų041.8 Ų41.80%020%0.2CC..EExtended strand (participates in β ladder)trans-109.1140.8175.3-170.60000112.3L545 A561 K565 M570L545-S572 WeakPolarHBondContact O-CA 3.31Å; L545-S572 PolarHBondContact O-OG 2.89Å; A561-S572 WeakPolarHBondContact CA-OG 3.47Å; K565-S572 WeakPolarHBondContact CD-O 3.41Å; K565-S572 WeakPolarHBondContact CE-O 3.47Å; K565-S572 PolarHBondContact NZ-O 2.99Å; M570-S572 PolarHBondContact O-N 3.02Å
573E97.9Very high95.9Very high78 Ų7842.2 Ų42.236%0.36421%0.212SC..EExtended strand (participates in β ladder)trans-132.5130.5-179.4-167.7179.9170.400110.9L545 L546 V547 I575L545-E573 PolarHBondContact O-N 3.38Å; L545-E573 VanDerWaalsContact O-N 3.13Å; L546-E573 HydrophobicContact CD2-CB 3.99Å; V547-E573 PolarHBondContact N-O 2.61Å; E573-I575 HydrophobicContact CG-CG1 4.19Å
574G97.7Very high95.7Very high13 Ų1343.9 Ų43.913%0.13422%0.223CC..EExtended strand (participates in β ladder)trans-90.4114.1175.100000109.9V547V547-G574 CarbonylContact O-C 3.54Å; V547-G574 WeakPolarHBondContact O-CA 3.3Å
575I97.6Very high95.6Very high8 Ų844.6 Ų44.64%0.04123%0.227CC..EExtended strand (participates in β ladder)trans-111.5130.9-175.9-64.1167.3000109.7L546 V547 M548 G549 E573 A577 L580 P584L546-I575 HydrophobicContact CB-CD1 4.36Å; L546-I575 HydrophobicContact CD1-CD1 4.06Å; L546-I575 HydrophobicContact CD2-CD1 3.87Å; L546-I575 HydrophobicContact CG-CD1 4.31Å; V547-I575 PolarHBondContact O-N 3.39Å; M548-I575 WeakPolarHBondContact CA-O 3.26Å; M548-I575 HydrophobicContact CG-CB 4.32Å; G549-I575 PolarHBondContact N-O 3.5Å; E573-I575 HydrophobicContact CG-CG1 4.19Å; I575-A577 PolarHBondContact O-N 3.22Å; I575-L580 HydrophobicContact CG2-CD2 4.02Å; I575-P584 HydrophobicContact CD1-CB 3.96Å; I575-P584 HydrophobicContact CG2-CB 4.18Å; I575-P584 HydrophobicContact CG2-CG 4.38Å
576L97.5Very high95.7Very high52 Ų5245.2 Ų45.227%0.27225%0.247SC..EExtended strand (participates in β ladder)trans-65.6116.5168.9-17761.7000108.6R550 Y554 G578 E579R550-L576 HydrophobicContact CB-CD1 4.37Å; R550-L576 HydrophobicContact CG-CD1 4.07Å; Y554-L576 HydrophobicContact CD2-CB 3.96Å; Y554-L576 HydrophobicContact CD2-CD1 3.79Å; Y554-L576 HydrophobicContact CD2-CG 4.47Å; Y554-L576 HydrophobicContact CE2-CB 3.76Å; Y554-L576 HydrophobicContact CE2-CD1 4.37Å; Y554-L576 HydrophobicContact CG-CD1 3.9Å; L576-G578 PolarHBondContact O-N 3.45Å; L576-E579 HydrophobicContact CB-CG 4.22Å; L576-E579 HydrophobicContact CD2-CG 4.15Å; L576-E579 HydrophobicContact CG-CG 4.45Å; L576-E579 PolarHBondContact O-N 3.14Å
577A95.7Very high95.7Very high4 Ų447.5 Ų47.53%0.03326%0.26CS..THydrogen-bonded Turntrans-59.2-18.3-173.700000113.6G549 R550 I575 E579 L580 A610G549-A577 PolarHBondContact O-N 3.26Å; R550-A577 HydrophobicContact CB-CB 4.4Å; I575-A577 PolarHBondContact O-N 3.22Å; A577-E579 VanDerWaalsContact C-N 3.35Å; A577-L580 WeakPolarHBondContact O-CG 3.43Å; A577-A610 HydrophobicContact CB-CB 4.01Å
578G94.4Very high95.8Very high14 Ų1448 Ų4814%0.14426%0.263CS..THydrogen-bonded Turntrans-67.6-30.6171.500000116L576 L580L576-G578 PolarHBondContact O-N 3.45Å; G578-L580 VanDerWaalsContact C-N 3.33Å
579E95.6Very high95.7Very high92 Ų9251.6 Ų51.643%0.4328%0.282SS..SBendtrans-88.2-3.5-172.6-65.3-54.2115.400112.8L576 A577 K581 H582 P584L576-E579 HydrophobicContact CB-CG 4.22Å; L576-E579 HydrophobicContact CD2-CG 4.15Å; L576-E579 HydrophobicContact CG-CG 4.45Å; L576-E579 PolarHBondContact O-N 3.14Å; A577-E579 VanDerWaalsContact C-N 3.35Å; E579-K581 VanDerWaalsContact C-N 3.31Å; E579-K581 PolarHBondContact O-N 2.94Å; E579-H582 WeakPolarHBondContact O-CA 3.46Å; E579-H582 WeakPolarHBondContact O-CB 3.44Å; E579-H582 PolarHBondContact O-N 2.76Å; E579-H582 IonicContact OE2-CD2 2.66Å; E579-H582 IonicContact OE2-CG 3.41Å; E579-P584 WeakPolarHBondContact O-CD 3.49Å
580L93.1Very high95.6Very high1 Ų155.3 Ų55.31%0.00530%0.299CS..G310 helixtrans-49.7-50.3-176.1-72.5174.5000112.4M548 I575 A577 G578 H582 G583 L585 A610 V614M548-L580 HydrophobicContact CE-CD2 3.65Å; M548-L580 HydrophobicContact SD-CD1 3.98Å; M548-L580 HydrophobicContact SD-CD2 3.65Å; M548-L580 HydrophobicContact SD-CG 4.4Å; I575-L580 HydrophobicContact CG2-CD2 4.02Å; A577-L580 WeakPolarHBondContact O-CG 3.43Å; G578-L580 VanDerWaalsContact C-N 3.33Å; L580-H582 PolarHBondContact O-N 3.01Å; L580-H582 VanDerWaalsContact O-N 3.14Å; L580-G583 PolarHBondContact O-N 3.15Å; L580-L585 HydrophobicContact CB-CB 4.19Å; L580-L585 WeakPolarHBondContact O-CB 3.16Å; L580-L585 PolarHBondContact O-N 2.87Å; L580-A610 HydrophobicContact CD1-CB 3.92Å; L580-V614 HydrophobicContact CD1-CG2 4.24Å
581K92.2Very high95.5Very high141 Ų14160.1 Ų60.161%0.61333%0.325SS*.G310 helixtrans-67.9-12.5-178.8-66.7-173.1-1781790114.3E579 G583 L585 Q613E579-K581 VanDerWaalsContact C-N 3.31Å; E579-K581 PolarHBondContact O-N 2.94Å; K581-G583 VanDerWaalsContact C-N 3.29Å; K581-L585 HydrophobicContact CG-CD2 4.29Å; K581-Q613 VanDerWaalsContact CE-NE2 3.3Å; K581-Q613 VanDerWaalsContact CE-OE1 3.26Å
582H95.4Very high95.4Very high146 Ų14656.8 Ų56.868%0.67631%0.31SS*.G310 helixtrans-91.210.6-178.9-62.4-72.5000112.9E579 L580E579-H582 WeakPolarHBondContact O-CA 3.46Å; E579-H582 WeakPolarHBondContact O-CB 3.44Å; E579-H582 PolarHBondContact O-N 2.76Å; E579-H582 IonicContact OE2-CD2 2.66Å; E579-H582 IonicContact OE2-CG 3.41Å; L580-H582 PolarHBondContact O-N 3.01Å; L580-H582 VanDerWaalsContact O-N 3.14Å
583G94.4Very high95.3Very high43 Ų4357.6 Ų57.644%0.44332%0.316SS..THydrogen-bonded Turntrans147.6-53.517300000113.9L580 K581 L585 A586L580-G583 PolarHBondContact O-N 3.15Å; K581-G583 VanDerWaalsContact C-N 3.29Å; G583-L585 PolarHBondContact O-N 3.41Å; G583-A586 VanDerWaalsContact O-CB 3.31Å; G583-A586 WeakPolarHBondContact O-CB 3.49Å; G583-A586 PolarHBondContact O-N 3.26Å
584P95.5Very high95.3Very high37 Ų3753.9 Ų53.924%0.2430%0.298CS..G310 helixtrans-58-24.6-171.6-26.934.1000115.3I575 E579 A586 L587I575-P584 HydrophobicContact CD1-CB 3.96Å; I575-P584 HydrophobicContact CG2-CB 4.18Å; I575-P584 HydrophobicContact CG2-CG 4.38Å; E579-P584 WeakPolarHBondContact O-CD 3.49Å; P584-A586 PolarHBondContact O-N 3.15Å; P584-A586 VanDerWaalsContact O-N 3.14Å; P584-L587 WeakPolarHBondContact O-CB 3.49Å; P584-L587 PolarHBondContact O-N 2.9Å; P584-L587 VanDerWaalsContact O-N 3.08Å
585L95.2Very high95.3Very high14 Ų1453.4 Ų53.47%0.07329%0.293CS..G310 helixtrans-61.6-19.2175.9-170.959.2000113.6L580 K581 G583 L587 I588 Q613 R617L580-L585 HydrophobicContact CB-CB 4.19Å; L580-L585 WeakPolarHBondContact O-CB 3.16Å; L580-L585 PolarHBondContact O-N 2.87Å; K581-L585 HydrophobicContact CG-CD2 4.29Å; G583-L585 PolarHBondContact O-N 3.41Å; L585-L587 PolarHBondContact O-N 3.2Å; L585-I588 HydrophobicContact CD1-CB 4.34Å; L585-I588 HydrophobicContact CD1-CG1 3.89Å; L585-I588 WeakPolarHBondContact O-CB 3.35Å; L585-I588 PolarHBondContact O-N 3.31Å; L585-Q613 HydrophobicContact CD1-CB 4.42Å; L585-Q613 HydrophobicContact CD2-CB 4.29Å; L585-R617 VanDerWaalsContact CD2-CZ 3.46Å; L585-R617 VanDerWaalsContact CD2-NE 3.32Å; L585-R617 VanDerWaalsContact CG-CD 3.48Å
586A96Very high95.3Very high94 Ų9453.2 Ų53.278%0.77729%0.292SS*.G310 helixtrans-66.7-19.7174.500000113.4G583 P584 I588G583-A586 VanDerWaalsContact O-CB 3.31Å; G583-A586 WeakPolarHBondContact O-CB 3.49Å; G583-A586 PolarHBondContact O-N 3.26Å; P584-A586 PolarHBondContact O-N 3.15Å; P584-A586 VanDerWaalsContact O-N 3.14Å; A586-I588 VanDerWaalsContact C-N 3.26Å
587L95.4Very high95.4Very high87 Ų8750.8 Ų50.846%0.45528%0.279SS..G310 helixtrans-78.8-10.3175.9-61.3175.4000113.1L546 P584 L585 M592L546-L587 HydrophobicContact CD1-CB 4.13Å; L546-L587 HydrophobicContact CD1-CD1 4.37Å; P584-L587 WeakPolarHBondContact O-CB 3.49Å; P584-L587 PolarHBondContact O-N 2.9Å; P584-L587 VanDerWaalsContact O-N 3.08Å; L585-L587 PolarHBondContact O-N 3.2Å; L587-M592 WeakPolarHBondContact O-CB 3.43Å
588I96.6Very high95.4Very high12 Ų1250.7 Ų50.76%0.06228%0.278CS..  trans-86.7120-173-53.5-55.6000110.5L546 M548 L585 A586 V594 V614 R617L546-I588 HydrophobicContact CD1-CD1 3.64Å; M548-I588 HydrophobicContact CE-CD1 3.54Å; M548-I588 HydrophobicContact CE-CG1 4.4Å; L585-I588 HydrophobicContact CD1-CB 4.34Å; L585-I588 HydrophobicContact CD1-CG1 3.89Å; L585-I588 WeakPolarHBondContact O-CB 3.35Å; L585-I588 PolarHBondContact O-N 3.31Å; A586-I588 VanDerWaalsContact C-N 3.26Å; I588-V594 HydrophobicContact CD1-CG2 3.74Å; I588-V614 HydrophobicContact CG2-CG1 3.95Å; I588-R617 HydrophobicContact CG2-CB 4.18Å
589D93.6Very high95.5Very high75 Ų7550.1 Ų50.140%0.40127%0.271SS..SBendtrans-141.2-166.3167.664.226000110.1D591 M592 G619D589-D591 VanDerWaalsContact C-N 3.29Å; D589-D591 PolarHBondContact O-N 3.04Å; D589-D591 WeakPolarHBondContact OD1-CA 3.47Å; D589-D591 PolarHBondContact OD1-N 2.9Å; D589-M592 PolarHBondContact OD1-N 2.96Å; D589-G619 WeakPolarHBondContact O-CA 3.33Å
590K93.1Very high95.3Very high135 Ų13551.7 Ų51.759%0.58727%0.274SS*.SBendtrans-71.4-20-18062.8173.7-174.9176.60114.4S618K590-S618 WeakPolarHBondContact CA-O 3.45Å
591D92.6Very high95.4Very high105 Ų10553 Ų5356%0.56128%0.28SS*.SBendtrans-103.5-27.8-170.9-62.6-44.4000111.1D589 P593D589-D591 VanDerWaalsContact C-N 3.29Å; D589-D591 PolarHBondContact O-N 3.04Å; D589-D591 WeakPolarHBondContact OD1-CA 3.47Å; D589-D591 PolarHBondContact OD1-N 2.9Å; D591-P593 WeakPolarHBondContact O-CD 3.28Å
592M95.6Very high95.4Very high41 Ų4149.8 Ų49.820%0.20229%0.287CS..SBendtrans-65.4114.6175.2-177.957.768.600111.5L546 L587 D589 V594L546-M592 HydrophobicContact CD1-CG 3.97Å; L546-M592 HydrophobicContact CD1-SD 4.27Å; L546-M592 HydrophobicContact CG-CG 4.24Å; L546-M592 HydrophobicContact CG-SD 4.03Å; L587-M592 WeakPolarHBondContact O-CB 3.43Å; D589-M592 PolarHBondContact OD1-N 2.96Å; M592-V594 HydrophobicContact CG-CG2 4.42Å; M592-V594 PolarHBondContact O-N 3.31Å
593P96.6Very high95.4Very high17 Ų1744 Ų4411%0.1126%0.264CS..  trans-69.5132.7174.9-18.934.5000111.1L539 Q542 S544 L545 L546 D591L539-P593 HydrophobicContact CD2-CB 3.85Å; L539-P593 HydrophobicContact CD2-CG 4.31Å; Q542-P593 HydrophobicContact CB-CG 3.85Å; Q542-P593 HydrophobicContact CG-CG 3.57Å; S544-P593 VanDerWaalsContact O-CD 3.29Å; S544-P593 WeakPolarHBondContact O-CD 3.47Å; S544-P593 WeakPolarHBondContact O-CG 2.88Å; L545-P593 HydrophobicContact CD1-CB 3.64Å; L546-P593 PolarHBondContact N-O 2.99Å; D591-P593 WeakPolarHBondContact O-CD 3.28Å
594V97.5Very high95.4Very high1 Ų143.9 Ų43.91%0.00625%0.25CC..EExtended strand (participates in β ladder)trans-129.7131.7179.4-176.40000109.5L546 M548 I588 M592 M596 V614 P621 I622L546-V594 CarbonylContact O-C 3.45Å; L546-V594 WeakPolarHBondContact O-CA 2.84Å; M548-V594 HydrophobicContact CE-CG1 3.72Å; M548-V594 HydrophobicContact CE-CG2 4.34Å; M548-V594 HydrophobicContact CG-CG1 4.33Å; M548-V594 HydrophobicContact SD-CG1 3.76Å; I588-V594 HydrophobicContact CD1-CG2 3.74Å; M592-V594 HydrophobicContact CG-CG2 4.42Å; M592-V594 PolarHBondContact O-N 3.31Å; V594-M596 HydrophobicContact CG1-CG 3.8Å; V594-V614 HydrophobicContact CG1-CG1 4.44Å; V594-V614 HydrophobicContact CG2-CG1 4.44Å; V594-P621 HydrophobicContact CB-CB 4.21Å; V594-P621 HydrophobicContact CG1-CB 4.2Å; V594-P621 CarbonylContact O-C 3.51Å; V594-P621 VanDerWaalsContact O-CA 3.27Å; V594-P621 WeakPolarHBondContact O-CA 3.04Å; V594-I622 PolarHBondContact O-N 3.28Å
595I98.2Very high95.4Very high3 Ų346.2 Ų46.22%0.01526%0.263CS..EExtended strand (participates in β ladder)trans-108.8129.6164.9-68166.3000108L545 L546 V547 M548 I622 L624 L658 L661L545-I595 HydrophobicContact CD1-CD1 3.95Å; L545-I595 HydrophobicContact CD1-CG1 4.01Å; L545-I595 HydrophobicContact CD2-CD1 3.88Å; L545-I595 HydrophobicContact CG-CD1 4.31Å; L546-I595 PolarHBondContact O-N 3.19Å; V547-I595 CarbonylContact C-O 3.36Å; V547-I595 WeakPolarHBondContact CA-O 3.45Å; V547-I595 HydrophobicContact CG1-CB 4.37Å; V547-I595 HydrophobicContact CG1-CG2 4.29Å; M548-I595 PolarHBondContact N-O 2.88Å; I595-I622 CarbonylContact C-O 3.57Å; I595-I622 VanDerWaalsContact CA-O 3.3Å; I595-I622 WeakPolarHBondContact CA-O 3.37Å; I595-I622 HydrophobicContact CG1-CB 4.12Å; I595-I622 HydrophobicContact CG1-CD1 4.35Å; I595-L624 HydrophobicContact CG2-CD1 3.56Å; I595-L658 HydrophobicContact CD1-CD2 4.16Å; I595-L658 HydrophobicContact CG2-CD2 4.14Å; I595-L661 HydrophobicContact CD1-CD2 3.45Å; I595-L661 VanDerWaalsContact CD1-CD2 3.45Å
596M98.1Very high95.5Very high3 Ų351 Ų512%0.01528%0.283CS..EExtended strand (participates in β ladder)trans-118.6132.6174.4-56.7-169.768.700110.9M548 V594 I598 A610 L611 V614 P621 I622 L623 L624M548-M596 HydrophobicContact CB-CE 4.41Å; M548-M596 HydrophobicContact CB-CG 4.23Å; M548-M596 CarbonylContact O-C 3.59Å; M548-M596 WeakPolarHBondContact O-CA 3.4Å; M548-M596 HydrophobicContact SD-CE 4.35Å; M548-M596 HydrophobicContact SD-CG 4.37Å; V594-M596 HydrophobicContact CG1-CG 3.8Å; M596-I598 HydrophobicContact CB-CD1 4.3Å; M596-I598 HydrophobicContact CB-CG1 4.21Å; M596-A610 HydrophobicContact CE-CB 3.89Å; M596-L611 HydrophobicContact CE-CB 4.32Å; M596-L611 HydrophobicContact SD-CB 4.21Å; M596-L611 HydrophobicContact SD-CD1 3.83Å; M596-V614 HydrophobicContact CE-CG2 4.41Å; M596-V614 HydrophobicContact SD-CB 4.24Å; M596-V614 HydrophobicContact SD-CG2 3.98Å; M596-P621 HydrophobicContact CG-CB 3.91Å; M596-P621 HydrophobicContact SD-CB 4.06Å; M596-P621 HydrophobicContact SD-CG 4.34Å; M596-I622 PolarHBondContact N-O 2.89Å; M596-L623 HydrophobicContact CB-CD2 3.8Å; M596-L623 HydrophobicContact CG-CD2 4.33Å; M596-L623 WeakPolarHBondContact O-CA 3.13Å; M596-L624 PolarHBondContact O-N 2.84Å
597V97.8Very high95.4Very high2 Ų246.8 Ų46.81%0.01225%0.248CC..EExtended strand (participates in β ladder)trans-98.9109175.5-168.80000108.8M548 N553 T556 M599 L624M548-V597 PolarHBondContact O-N 3.09Å; N553-V597 HydrophobicContact CB-CB 4.15Å; N553-V597 HydrophobicContact CB-CG1 3.75Å; N553-V597 WeakPolarHBondContact OD1-CG1 3.45Å; T556-V597 HydrophobicContact CG2-CG2 4.26Å; V597-M599 HydrophobicContact CG1-CE 3.7Å; V597-M599 HydrophobicContact CG1-CG 4.18Å; V597-L624 HydrophobicContact CG1-CB 4.35Å; V597-L624 HydrophobicContact CG2-CB 4.48Å; V597-L624 HydrophobicContact CG2-CD2 4.28Å
598I96.8Very high95.4Very high1 Ų145 Ų451%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-127.595.9-176.1-50.1-178.1000109.2M596 Y604 C607 L611 L623 L624 C625 L632M596-I598 HydrophobicContact CB-CD1 4.3Å; M596-I598 HydrophobicContact CB-CG1 4.21Å; I598-Y604 HydrophobicContact CG2-CD2 4.11Å; I598-Y604 HydrophobicContact CG2-CE2 4.18Å; I598-C607 HydrophobicContact CB-CB 4.41Å; I598-C607 HydrophobicContact CG1-CB 4.16Å; I598-C607 HydrophobicContact CG2-CB 3.82Å; I598-L611 HydrophobicContact CD1-CB 3.88Å; I598-L611 HydrophobicContact CD1-CD2 3.98Å; I598-L611 HydrophobicContact CD1-CG 4.41Å; I598-L623 HydrophobicContact CD1-CD2 4.24Å; I598-L624 PolarHBondContact N-O 3.16Å; I598-C625 WeakPolarHBondContact O-CA 3.46Å; I598-L632 HydrophobicContact CB-CD1 4.02Å; I598-L632 HydrophobicContact CD1-CD2 4.08Å; I598-L632 HydrophobicContact CG2-CD1 3.6Å; I598-L632 HydrophobicContact CG2-CD2 4.16Å
599M95.4Very high95.3Very high2 Ų248.4 Ų48.41%0.0126%0.256CS..  trans-105.8156.6-178.7-59.6-62.5140.900111.4V597 D601 Y604 L624 L642 Q650V597-M599 HydrophobicContact CG1-CE 3.7Å; V597-M599 HydrophobicContact CG1-CG 4.18Å; M599-D601 VanDerWaalsContact C-N 3.33Å; M599-D601 PolarHBondContact O-N 2.88Å; M599-Y604 WeakPolarHBondContact O-CD2 3.47Å; M599-L624 HydrophobicContact CE-CB 3.76Å; M599-L624 WeakPolarHBondContact CE-O 3.4Å; M599-L642 HydrophobicContact CE-CD1 3.73Å; M599-L642 HydrophobicContact SD-CD1 4.42Å; M599-Q650 HydrophobicContact CB-CG 3.89Å; M599-Q650 HydrophobicContact CG-CG 3.58Å; M599-Q650 HydrophobicContact SD-CG 3.85Å
600R93.1Very high95.4Very high126 Ų12644.9 Ų44.948%0.47524%0.238SC..SBendtrans-75.984.3176-70.7-178177.6-1793.9110.9Y604 C626 D628 D629 Q644R600-Y604 HydrophobicContact CG-CD2 4.1Å; R600-Y604 HydrophobicContact CG-CE2 4.06Å; R600-C626 HydrophobicContact CG-CB 4.34Å; R600-C626 PolarHBondContact N-SG 3.5Å; R600-D628 PolarHBondContact NH2-O 2.83Å; R600-D629 IonicContact NE-OD2 3.11Å; R600-D629 IonicContact NH2-OD2 2.88Å; R600-Q644 PolarHBondContact O-NE2 3.04Å
601D93.6Very high95.5Very high27 Ų2738.7 Ų38.714%0.14421%0.211CC..SBendtrans-135.7-174174.264.230.7000111.1N553 M599 C603 Y604 D647N553-D601 PolarHBondContact ND2-OD2 3.08Å; M599-D601 VanDerWaalsContact C-N 3.33Å; M599-D601 PolarHBondContact O-N 2.88Å; D601-C603 PolarHBondContact O-N 2.78Å; D601-C603 VanDerWaalsContact OD1-CA 3.31Å; D601-C603 WeakPolarHBondContact OD1-CA 3.07Å; D601-C603 VanDerWaalsContact OD1-CB 3.32Å; D601-C603 WeakPolarHBondContact OD1-CB 3.46Å; D601-C603 PolarHBondContact OD1-N 3.13Å; D601-Y604 VanDerWaalsContact O-CB 3.31Å; D601-Y604 WeakPolarHBondContact O-CB 3.36Å; D601-Y604 PolarHBondContact O-N 3.33Å; D601-Y604 PolarHBondContact OD1-N 3.27Å; D601-D647 HydrophobicContact CB-CB 3.98Å
602G94Very high95.6Very high74 Ų7439 Ų3976%0.76321%0.209SC*.THydrogen-bonded Turntrans-61.7-11178.800000115.3
603C94.9Very high95.6Very high26 Ų2638.7 Ų38.718%0.17621%0.207CC..THydrogen-bonded Turntrans-101.8-0.6176.1-70.20000113.7D601 T605 K606 C607D601-C603 PolarHBondContact O-N 2.78Å; D601-C603 VanDerWaalsContact OD1-CA 3.31Å; D601-C603 WeakPolarHBondContact OD1-CA 3.07Å; D601-C603 VanDerWaalsContact OD1-CB 3.32Å; D601-C603 WeakPolarHBondContact OD1-CB 3.46Å; D601-C603 PolarHBondContact OD1-N 3.13Å; C603-T605 PolarHBondContact O-N 2.71Å; C603-K606 WeakPolarHBondContact O-CA 3.27Å; C603-K606 WeakPolarHBondContact O-CB 3.28Å; C603-K606 PolarHBondContact O-N 2.76Å; C603-C607 PolarHBondContact O-N 3.21Å; C603-C607 PolarHBondContact O-SG 2.92Å
604Y94.8Very high95.6Very high40 Ų4037.9 Ų37.916%0.15720%0.202CC..Hα-helixtrans-49.3-53.1-174.1179.7-98.9000113.9I598 M599 R600 D601 K606 C607 Q608 D629 L632I598-Y604 HydrophobicContact CG2-CD2 4.11Å; I598-Y604 HydrophobicContact CG2-CE2 4.18Å; M599-Y604 WeakPolarHBondContact O-CD2 3.47Å; R600-Y604 HydrophobicContact CG-CD2 4.1Å; R600-Y604 HydrophobicContact CG-CE2 4.06Å; D601-Y604 VanDerWaalsContact O-CB 3.31Å; D601-Y604 WeakPolarHBondContact O-CB 3.36Å; D601-Y604 PolarHBondContact O-N 3.33Å; D601-Y604 PolarHBondContact OD1-N 3.27Å; Y604-K606 VanDerWaalsContact C-N 3.3Å; Y604-K606 PolarHBondContact O-N 2.79Å; Y604-C607 WeakPolarHBondContact O-CB 2.93Å; Y604-C607 PolarHBondContact O-N 2.93Å; Y604-C607 VanDerWaalsContact O-N 3.12Å; Y604-Q608 HydrophobicContact CD1-CG 4.4Å; Y604-Q608 HydrophobicContact CE1-CG 4.05Å; Y604-Q608 VanDerWaalsContact CZ-NE2 3.29Å; Y604-Q608 PolarHBondContact O-N 3.39Å; Y604-Q608 PolarHBondContact OH-NE2 3.35Å; Y604-D629 WeakPolarHBondContact CE2-OD2 3.19Å; Y604-D629 VanDerWaalsContact CZ-OD2 3.28Å; Y604-D629 PolarHBondContact OH-OD1 2.73Å; Y604-D629 PolarHBondContact OH-OD2 2.92Å; Y604-L632 HydrophobicContact CE2-CD1 3.79Å
605T94.9Very high95.5Very high85 Ų8540 Ų4052%0.52122%0.215SC..Hα-helixtrans-63.2-35.5179.754.80000112.6C603 Q608 N609C603-T605 PolarHBondContact O-N 2.71Å; T605-Q608 PolarHBondContact O-N 2.84Å; T605-N609 PolarHBondContact O-N 3.36Å; T605-N609 VanDerWaalsContact O-N 3.08Å; T605-N609 PolarHBondContact O-ND2 2.9Å
606K96.1Very high95.3Very high114 Ų11443.5 Ų43.550%0.49624%0.244SC..Hα-helixtrans-69.3-35.5176.1-62.1178.9-176.91730111.4C603 Y604 N609 A610C603-K606 WeakPolarHBondContact O-CA 3.27Å; C603-K606 WeakPolarHBondContact O-CB 3.28Å; C603-K606 PolarHBondContact O-N 2.76Å; Y604-K606 VanDerWaalsContact C-N 3.3Å; Y604-K606 PolarHBondContact O-N 2.79Å; K606-N609 PolarHBondContact O-N 2.89Å; K606-A610 PolarHBondContact O-N 3.37Å
607C95Very high95.2Very high6 Ų648.4 Ų48.44%0.04126%0.262CS..Hα-helixtrans-71.8-37.3175.1-690000111.9I598 C603 Y604 N609 A610 L611I598-C607 HydrophobicContact CB-CB 4.41Å; I598-C607 HydrophobicContact CG1-CB 4.16Å; I598-C607 HydrophobicContact CG2-CB 3.82Å; C603-C607 PolarHBondContact O-N 3.21Å; C603-C607 PolarHBondContact O-SG 2.92Å; Y604-C607 WeakPolarHBondContact O-CB 2.93Å; Y604-C607 PolarHBondContact O-N 2.93Å; Y604-C607 VanDerWaalsContact O-N 3.12Å; C607-N609 VanDerWaalsContact C-N 3.31Å; C607-N609 PolarHBondContact O-N 2.97Å; C607-A610 WeakPolarHBondContact O-CB 3.42Å; C607-A610 PolarHBondContact O-N 2.72Å; C607-A610 VanDerWaalsContact O-N 3.12Å; C607-L611 PolarHBondContact O-N 2.93Å
608Q94.5Very high95Very high50 Ų5052.1 Ų52.123%0.23429%0.288CS..Hα-helixtrans-59-42.1170-74-177-39.900112Y604 T605 A610 L611 Q612 L632Y604-Q608 HydrophobicContact CD1-CG 4.4Å; Y604-Q608 HydrophobicContact CE1-CG 4.05Å; Y604-Q608 VanDerWaalsContact CZ-NE2 3.29Å; Y604-Q608 PolarHBondContact O-N 3.39Å; Y604-Q608 PolarHBondContact OH-NE2 3.35Å; T605-Q608 PolarHBondContact O-N 2.84Å; Q608-A610 VanDerWaalsContact C-N 3.27Å; Q608-A610 PolarHBondContact O-N 2.92Å; Q608-L611 WeakPolarHBondContact O-CB 3.31Å; Q608-L611 PolarHBondContact O-N 3.16Å; Q608-Q612 WeakPolarHBondContact O-CG 3.2Å; Q608-Q612 PolarHBondContact O-N 2.9Å; Q608-L632 HydrophobicContact CG-CD2 3.85Å
609N94.9Very high94.9Very high84 Ų8452.3 Ų52.345%0.44929%0.29SS..Hα-helixtrans-62.9-34.6174.9-70.7-20.9000112.4T605 K606 C607 Q613T605-N609 PolarHBondContact O-N 3.36Å; T605-N609 VanDerWaalsContact O-N 3.08Å; T605-N609 PolarHBondContact O-ND2 2.9Å; K606-N609 PolarHBondContact O-N 2.89Å; C607-N609 VanDerWaalsContact C-N 3.31Å; C607-N609 PolarHBondContact O-N 2.97Å; N609-Q613 VanDerWaalsContact O-CD 3.3Å; N609-Q613 WeakPolarHBondContact O-CG 3.25Å; N609-Q613 PolarHBondContact O-N 3.47Å; N609-Q613 PolarHBondContact O-NE2 2.88Å
610A96.2Very high94.8Very high1 Ų159.7 Ų59.71%0.00832%0.318CS..Hα-helixtrans-68.6-41.3173.800000111.3A577 L580 M596 K606 C607 Q608 Q612 Q613 V614A577-A610 HydrophobicContact CB-CB 4.01Å; L580-A610 HydrophobicContact CD1-CB 3.92Å; M596-A610 HydrophobicContact CE-CB 3.89Å; K606-A610 PolarHBondContact O-N 3.37Å; C607-A610 WeakPolarHBondContact O-CB 3.42Å; C607-A610 PolarHBondContact O-N 2.72Å; C607-A610 VanDerWaalsContact O-N 3.12Å; Q608-A610 VanDerWaalsContact C-N 3.27Å; Q608-A610 PolarHBondContact O-N 2.92Å; A610-Q612 VanDerWaalsContact C-N 3.34Å; A610-Q612 PolarHBondContact O-N 3.28Å; A610-Q613 WeakPolarHBondContact O-CB 3.24Å; A610-Q613 PolarHBondContact O-N 3.36Å; A610-Q613 VanDerWaalsContact O-N 3.07Å; A610-V614 PolarHBondContact O-N 3.13Å; A610-V614 VanDerWaalsContact O-N 3.07Å
611L95.9Very high94.9Very high4 Ų453.8 Ų53.82%0.02130%0.296CS..Hα-helixtrans-56.9-48.3175174.159.5000111.4M596 I598 C607 Q608 Q613 V614 T615 P621 L623 L632 N635M596-L611 HydrophobicContact CE-CB 4.32Å; M596-L611 HydrophobicContact SD-CB 4.21Å; M596-L611 HydrophobicContact SD-CD1 3.83Å; I598-L611 HydrophobicContact CD1-CB 3.88Å; I598-L611 HydrophobicContact CD1-CD2 3.98Å; I598-L611 HydrophobicContact CD1-CG 4.41Å; C607-L611 PolarHBondContact O-N 2.93Å; Q608-L611 WeakPolarHBondContact O-CB 3.31Å; Q608-L611 PolarHBondContact O-N 3.16Å; L611-Q613 PolarHBondContact O-N 2.85Å; L611-V614 PolarHBondContact O-N 2.83Å; L611-V614 VanDerWaalsContact O-N 3.14Å; L611-T615 HydrophobicContact CD1-CG2 3.89Å; L611-T615 HydrophobicContact CG-CG2 4.42Å; L611-T615 WeakPolarHBondContact O-CG2 3.25Å; L611-T615 PolarHBondContact O-N 3.18Å; L611-T615 PolarHBondContact O-OG1 2.87Å; L611-P621 HydrophobicContact CD1-CB 4.39Å; L611-P621 HydrophobicContact CD1-CG 3.42Å; L611-P621 VanDerWaalsContact CD1-CG 3.42Å; L611-L623 HydrophobicContact CD1-CD1 4.35Å; L611-L623 HydrophobicContact CD1-CD2 3.76Å; L611-L623 HydrophobicContact CD2-CD1 3.77Å; L611-L623 HydrophobicContact CD2-CD2 4.46Å; L611-L632 HydrophobicContact CD2-CD2 3.6Å; L611-N635 HydrophobicContact CD2-CB 4.21Å
612Q94.6Very high95.1Very high112 Ų11252.7 Ų52.752%0.52329%0.29SS..Hα-helixtrans-59-34.7176.4-71179.3-9.600112.6Q608 A610 T615 A616Q608-Q612 WeakPolarHBondContact O-CG 3.2Å; Q608-Q612 PolarHBondContact O-N 2.9Å; A610-Q612 VanDerWaalsContact C-N 3.34Å; A610-Q612 PolarHBondContact O-N 3.28Å; Q612-T615 WeakPolarHBondContact CA-OG1 2.98Å; Q612-T615 PolarHBondContact O-OG1 3.26Å; Q612-A616 WeakPolarHBondContact O-CB 3.48Å; Q612-A616 PolarHBondContact O-N 3.1Å
613Q94.9Very high95.3Very high35 Ų3549.2 Ų49.216%0.16425%0.254CS..Hα-helixtrans-68.1-41.3177.3-68.9159.442.100111.6K581 L585 N609 A610 L611 R617K581-Q613 VanDerWaalsContact CE-NE2 3.3Å; K581-Q613 VanDerWaalsContact CE-OE1 3.26Å; L585-Q613 HydrophobicContact CD1-CB 4.42Å; L585-Q613 HydrophobicContact CD2-CB 4.29Å; N609-Q613 VanDerWaalsContact O-CD 3.3Å; N609-Q613 WeakPolarHBondContact O-CG 3.25Å; N609-Q613 PolarHBondContact O-N 3.47Å; N609-Q613 PolarHBondContact O-NE2 2.88Å; A610-Q613 WeakPolarHBondContact O-CB 3.24Å; A610-Q613 PolarHBondContact O-N 3.36Å; A610-Q613 VanDerWaalsContact O-N 3.07Å; L611-Q613 PolarHBondContact O-N 2.85Å; Q613-R617 WeakPolarHBondContact O-CD 3.4Å; Q613-R617 PolarHBondContact O-NH1 3.05Å
614V96.1Very high95.4Very high0 Ų048 Ų480%025%0.245CC..Hα-helixtrans-65.9-49.8177171.80000110.5M548 L580 I588 V594 M596 A610 L611 A616 R617 G619 P621M548-V614 HydrophobicContact CE-CG2 4.4Å; M548-V614 HydrophobicContact SD-CG2 3.96Å; L580-V614 HydrophobicContact CD1-CG2 4.24Å; I588-V614 HydrophobicContact CG2-CG1 3.95Å; V594-V614 HydrophobicContact CG1-CG1 4.44Å; V594-V614 HydrophobicContact CG2-CG1 4.44Å; M596-V614 HydrophobicContact CE-CG2 4.41Å; M596-V614 HydrophobicContact SD-CB 4.24Å; M596-V614 HydrophobicContact SD-CG2 3.98Å; A610-V614 PolarHBondContact O-N 3.13Å; A610-V614 VanDerWaalsContact O-N 3.07Å; L611-V614 PolarHBondContact O-N 2.83Å; L611-V614 VanDerWaalsContact O-N 3.14Å; V614-A616 PolarHBondContact O-N 2.95Å; V614-R617 PolarHBondContact O-N 3.45Å; V614-R617 VanDerWaalsContact O-N 3.08Å; V614-G619 PolarHBondContact O-N 3.16Å; V614-G619 VanDerWaalsContact O-N 3.11Å; V614-P621 HydrophobicContact CG1-CB 4.4Å; V614-P621 HydrophobicContact CG1-CG 4.22Å
615T94.9Very high95.4Very high45 Ų4546 Ų4628%0.27624%0.238SC..Hα-helixtrans-67.4-34.5-177.957.20000112.7L611 Q612 R617 S618 P621L611-T615 HydrophobicContact CD1-CG2 3.89Å; L611-T615 HydrophobicContact CG-CG2 4.42Å; L611-T615 WeakPolarHBondContact O-CG2 3.25Å; L611-T615 PolarHBondContact O-N 3.18Å; L611-T615 PolarHBondContact O-OG1 2.87Å; Q612-T615 WeakPolarHBondContact CA-OG1 2.98Å; Q612-T615 PolarHBondContact O-OG1 3.26Å; T615-R617 PolarHBondContact O-N 2.85Å; T615-R617 VanDerWaalsContact O-N 3.09Å; T615-S618 PolarHBondContact O-N 2.84Å; T615-P621 HydrophobicContact CG2-CG 4.16Å
616A94.9Very high95.3Very high76 Ų7642.1 Ų42.163%0.62821%0.214SC*.THydrogen-bonded Turntrans-61.5-16.9173.600000113.8Q612 V614Q612-A616 WeakPolarHBondContact O-CB 3.48Å; Q612-A616 PolarHBondContact O-N 3.1Å; V614-A616 PolarHBondContact O-N 2.95Å
617R95.4Very high94.8Very high107 Ų10741 Ų4140%0.40421%0.211SC..THydrogen-bonded Turntrans-106.124.3176.1-70.1151.6-175.779.14.8112.1L585 I588 Q613 V614 T615 G619L585-R617 VanDerWaalsContact CD2-CZ 3.46Å; L585-R617 VanDerWaalsContact CD2-NE 3.32Å; L585-R617 VanDerWaalsContact CG-CD 3.48Å; I588-R617 HydrophobicContact CG2-CB 4.18Å; Q613-R617 WeakPolarHBondContact O-CD 3.4Å; Q613-R617 PolarHBondContact O-NH1 3.05Å; V614-R617 PolarHBondContact O-N 3.45Å; V614-R617 VanDerWaalsContact O-N 3.08Å; T615-R617 PolarHBondContact O-N 2.85Å; T615-R617 VanDerWaalsContact O-N 3.09Å; R617-G619 PolarHBondContact O-N 2.93Å
618S94.5Very high94.1Very high79 Ų7947.1 Ų47.155%0.55224%0.243SC*.THydrogen-bonded Turntrans65.69.9-179.4-54.70000115K590 T615K590-S618 WeakPolarHBondContact CA-O 3.45Å; T615-S618 PolarHBondContact O-N 2.84Å
619G94.1Very high93.6Very high5 Ų544.8 Ų44.85%0.05223%0.232CC..  trans-60.9140.3171.600000111.1D589 V614 R617 P621D589-G619 WeakPolarHBondContact O-CA 3.33Å; V614-G619 PolarHBondContact O-N 3.16Å; V614-G619 VanDerWaalsContact O-N 3.11Å; R617-G619 PolarHBondContact O-N 2.93Å; G619-P621 VanDerWaalsContact C-CD 3.43Å; G619-P621 WeakPolarHBondContact O-CD 3.32Å
620R93.4Very high92.8Very high158 Ų15844.2 Ų44.260%0.59623%0.234SC*.  trans-115.573.2-178.4-71.1-177.8176.2-173.8-1.2110.5Y637R620-Y637 HydrophobicContact CB-CD2 4.32Å; R620-Y637 HydrophobicContact CB-CG 4.06Å
621P95.5Very high92Very high1 Ų148.6 Ų48.61%0.00626%0.258CS..PPolyproline II helixtrans-74141-169.929.7-34.3000112.2V594 M596 L611 V614 T615 G619 L623 Y637V594-P621 HydrophobicContact CB-CB 4.21Å; V594-P621 HydrophobicContact CG1-CB 4.2Å; V594-P621 CarbonylContact O-C 3.51Å; V594-P621 VanDerWaalsContact O-CA 3.27Å; V594-P621 WeakPolarHBondContact O-CA 3.04Å; M596-P621 HydrophobicContact CG-CB 3.91Å; M596-P621 HydrophobicContact SD-CB 4.06Å; M596-P621 HydrophobicContact SD-CG 4.34Å; L611-P621 HydrophobicContact CD1-CB 4.39Å; L611-P621 HydrophobicContact CD1-CG 3.42Å; L611-P621 VanDerWaalsContact CD1-CG 3.42Å; V614-P621 HydrophobicContact CG1-CB 4.4Å; V614-P621 HydrophobicContact CG1-CG 4.22Å; T615-P621 HydrophobicContact CG2-CG 4.16Å; G619-P621 VanDerWaalsContact C-CD 3.43Å; G619-P621 WeakPolarHBondContact O-CD 3.32Å; P621-L623 HydrophobicContact CB-CD2 3.89Å; P621-L623 HydrophobicContact CG-CD2 4Å; P621-Y637 WeakPolarHBondContact O-CB 3.19Å; P621-Y637 PolarHBondContact O-N 3.02Å
622I97.4Very high91.3Very high5 Ų548.5 Ų48.53%0.02626%0.257CS..EExtended strand (participates in β ladder)trans-83.5122.9163-60.6159.2000107I535 L539 V594 I595 M596 Y637 K638 I640I535-I622 HydrophobicContact CD1-CG2 4.23Å; I535-I622 HydrophobicContact CG2-CD1 3.69Å; L539-I622 HydrophobicContact CD1-CD1 3.81Å; L539-I622 HydrophobicContact CD2-CD1 4.3Å; L539-I622 HydrophobicContact CG-CD1 4.35Å; V594-I622 PolarHBondContact O-N 3.28Å; I595-I622 CarbonylContact C-O 3.57Å; I595-I622 VanDerWaalsContact CA-O 3.3Å; I595-I622 WeakPolarHBondContact CA-O 3.37Å; I595-I622 HydrophobicContact CG1-CB 4.12Å; I595-I622 HydrophobicContact CG1-CD1 4.35Å; M596-I622 PolarHBondContact N-O 2.89Å; I622-Y637 HydrophobicContact CG1-CD1 4.39Å; I622-K638 CarbonylContact C-O 3.52Å; I622-K638 WeakPolarHBondContact CA-O 3.28Å; I622-K638 HydrophobicContact CG1-CB 4.3Å; I622-K638 HydrophobicContact CG2-CB 4.36Å; I622-I640 HydrophobicContact CG2-CD1 4.47Å
623L97.4Very high90.6Very high0 Ų046.5 Ų46.50%025%0.249CC..EExtended strand (participates in β ladder)trans-100.5126.4-176.4-53.2-171.4000111M596 I598 L611 P621 L632 A636 K638 T639 I640M596-L623 HydrophobicContact CB-CD2 3.8Å; M596-L623 HydrophobicContact CG-CD2 4.33Å; M596-L623 WeakPolarHBondContact O-CA 3.13Å; I598-L623 HydrophobicContact CD1-CD2 4.24Å; L611-L623 HydrophobicContact CD1-CD1 4.35Å; L611-L623 HydrophobicContact CD1-CD2 3.76Å; L611-L623 HydrophobicContact CD2-CD1 3.77Å; L611-L623 HydrophobicContact CD2-CD2 4.46Å; P621-L623 HydrophobicContact CB-CD2 3.89Å; P621-L623 HydrophobicContact CG-CD2 4Å; L623-L632 HydrophobicContact CD1-CB 4.23Å; L623-A636 HydrophobicContact CB-CB 4.41Å; L623-A636 HydrophobicContact CD1-CB 3.55Å; L623-A636 HydrophobicContact CG-CB 3.72Å; L623-K638 PolarHBondContact N-O 2.8Å; L623-T639 HydrophobicContact CB-CG2 4.44Å; L623-T639 CarbonylContact O-C 3.55Å; L623-T639 VanDerWaalsContact O-CA 3.3Å; L623-T639 WeakPolarHBondContact O-CA 3.4Å; L623-I640 PolarHBondContact O-N 2.94Å
624L97.3Very high90Very high0 Ų052 Ų520%027%0.272CS..EExtended strand (participates in β ladder)trans-87118.2156.9-79.463.3000105.9I595 M596 V597 I598 M599 I640 L642 S654 P657 L658I595-L624 HydrophobicContact CG2-CD1 3.56Å; M596-L624 PolarHBondContact O-N 2.84Å; V597-L624 HydrophobicContact CG1-CB 4.35Å; V597-L624 HydrophobicContact CG2-CB 4.48Å; V597-L624 HydrophobicContact CG2-CD2 4.28Å; I598-L624 PolarHBondContact N-O 3.16Å; M599-L624 HydrophobicContact CE-CB 3.76Å; M599-L624 WeakPolarHBondContact CE-O 3.4Å; L624-I640 WeakPolarHBondContact CA-O 3.49Å; L624-I640 HydrophobicContact CD1-CB 4.31Å; L624-I640 HydrophobicContact CD1-CD1 3.89Å; L624-I640 HydrophobicContact CD1-CG1 4.46Å; L624-I640 HydrophobicContact CG-CB 4.17Å; L624-I640 HydrophobicContact CG-CD1 4.42Å; L624-L642 HydrophobicContact CB-CD1 4.39Å; L624-L642 HydrophobicContact CD2-CD1 4.48Å; L624-S654 VanDerWaalsContact CD2-O 3.3Å; L624-S654 WeakPolarHBondContact CD2-O 3.33Å; L624-P657 HydrophobicContact CD2-CB 4.16Å; L624-P657 HydrophobicContact CD2-CG 4.24Å; L624-L658 HydrophobicContact CD2-CD2 4.25Å; L624-L658 HydrophobicContact CD2-CG 4.31Å
625C95.6Very high89.2Confident0 Ų056 Ų560%029%0.293CS..EExtended strand (participates in β ladder)trans-144.6170.1-176.764.60000111.9I598 L632 I640 E641 L642I598-C625 WeakPolarHBondContact O-CA 3.46Å; C625-L632 HydrophobicContact CB-CD1 3.98Å; C625-I640 PolarHBondContact N-O 3.44Å; C625-E641 CarbonylContact O-C 3.57Å; C625-E641 WeakPolarHBondContact O-CA 3.39Å; C625-L642 PolarHBondContact O-N 3.15Å
626C92Very high88.9Confident3 Ų355 Ų552%0.0229%0.29CS..EExtended strand (participates in β ladder)trans-68151.1175.2-53.10000111.1R600 L642 Q644R600-C626 HydrophobicContact CG-CB 4.34Å; R600-C626 PolarHBondContact N-SG 3.5Å; C626-L642 CarbonylContact C-O 3.54Å; C626-L642 WeakPolarHBondContact CA-O 3.36Å; C626-Q644 PolarHBondContact SG-OE1 2.67Å
627Q87.2Confident88.7Confident90 Ų9056.9 Ų56.942%0.42128%0.282SS..THydrogen-bonded Turntrans-53.3142.5165.1-72.3172-17.200110.2D629 E641 L642Q627-D629 PolarHBondContact O-N 2.73Å; Q627-E641 HydrophobicContact CG-CB 3.9Å; Q627-L642 PolarHBondContact N-O 3.28Å
628D79.3Confident88.7Confident134 Ų13454.1 Ų54.172%0.71727%0.272SS*.THydrogen-bonded Turntrans65.325177.2-48.2-45.6000116.5R600 S630R600-D628 PolarHBondContact NH2-O 2.83Å; D628-S630 PolarHBondContact O-N 3.42Å
629D83Confident88.7Confident2 Ų251.4 Ų51.41%0.01125%0.252CS..  trans-89.674.9172.5-155.1-43.5000112.9R600 Y604 Q627 D631 L632 M633R600-D629 IonicContact NE-OD2 3.11Å; R600-D629 IonicContact NH2-OD2 2.88Å; Y604-D629 WeakPolarHBondContact CE2-OD2 3.19Å; Y604-D629 VanDerWaalsContact CZ-OD2 3.28Å; Y604-D629 PolarHBondContact OH-OD1 2.73Å; Y604-D629 PolarHBondContact OH-OD2 2.92Å; Q627-D629 PolarHBondContact O-N 2.73Å; D629-D631 VanDerWaalsContact C-N 3.25Å; D629-D631 PolarHBondContact O-N 2.94Å; D629-L632 HydrophobicContact CB-CB 4.43Å; D629-L632 HydrophobicContact CB-CD1 4.31Å; D629-L632 PolarHBondContact O-N 2.86Å; D629-L632 WeakPolarHBondContact OD1-CG 3.16Å; D629-L632 PolarHBondContact OD1-N 2.87Å; D629-M633 VanDerWaalsContact C-CE 3.47Å; D629-M633 WeakPolarHBondContact O-CE 3.16Å; D629-M633 WeakPolarHBondContact O-CG 3.46Å; D629-M633 PolarHBondContact O-N 3.49Å
630S78.9Confident88.9Confident71 Ų7151.4 Ų51.450%0.49725%0.251SS..Hα-helixtrans-63.9-25.2-174.261.60000114.6D628D628-S630 PolarHBondContact O-N 3.42Å
631D79.1Confident89Confident93 Ų9346.6 Ų46.650%0.49724%0.236SC..Hα-helixtrans-77.7-35.7179.8-74-31.7000112.4D629 K634D629-D631 VanDerWaalsContact C-N 3.25Å; D629-D631 PolarHBondContact O-N 2.94Å; D631-K634 IonicContact OD1-NZ 2.58Å; D631-K634 PolarHBondContact OD1-NZ 3.38Å
632L81.7Confident89Confident3 Ų346.6 Ų46.62%0.01624%0.235CC..Hα-helixtrans-69.8-39.3172.3-74.3178000112.3I598 Y604 Q608 L611 L623 C625 D629 K634 N635 A636I598-L632 HydrophobicContact CB-CD1 4.02Å; I598-L632 HydrophobicContact CD1-CD2 4.08Å; I598-L632 HydrophobicContact CG2-CD1 3.6Å; I598-L632 HydrophobicContact CG2-CD2 4.16Å; Y604-L632 HydrophobicContact CE2-CD1 3.79Å; Q608-L632 HydrophobicContact CG-CD2 3.85Å; L611-L632 HydrophobicContact CD2-CD2 3.6Å; L623-L632 HydrophobicContact CD1-CB 4.23Å; C625-L632 HydrophobicContact CB-CD1 3.98Å; D629-L632 HydrophobicContact CB-CB 4.43Å; D629-L632 HydrophobicContact CB-CD1 4.31Å; D629-L632 PolarHBondContact O-N 2.86Å; D629-L632 WeakPolarHBondContact OD1-CG 3.16Å; D629-L632 PolarHBondContact OD1-N 2.87Å; L632-K634 PolarHBondContact O-N 3.5Å; L632-K634 VanDerWaalsContact O-N 3.16Å; L632-N635 PolarHBondContact O-N 3.32Å; L632-N635 VanDerWaalsContact O-N 3.12Å; L632-A636 PolarHBondContact O-N 3.12Å
633M79.1Confident89Confident70 Ų7046.6 Ų46.635%0.34524%0.236SC..Hα-helixtrans-57.4-31.6-177.8-75.2-171.8-109.600113.3D629 N635 A636 T639D629-M633 VanDerWaalsContact C-CE 3.47Å; D629-M633 WeakPolarHBondContact O-CE 3.16Å; D629-M633 WeakPolarHBondContact O-CG 3.46Å; D629-M633 PolarHBondContact O-N 3.49Å; M633-N635 VanDerWaalsContact C-N 3.26Å; M633-N635 PolarHBondContact O-N 3.2Å; M633-A636 PolarHBondContact O-N 3.09Å; M633-T639 HydrophobicContact CG-CG2 3.99Å
634K82.6Confident88.9Confident150 Ų15050.6 Ų50.665%0.65225%0.254SS*.THydrogen-bonded Turntrans-63.5-29.6179.9-68.2166-170.1160.40113.6D631 L632D631-K634 IonicContact OD1-NZ 2.58Å; D631-K634 PolarHBondContact OD1-NZ 3.38Å; L632-K634 PolarHBondContact O-N 3.5Å; L632-K634 VanDerWaalsContact O-N 3.16Å
635N80.9Confident88.8Confident83 Ų8351.4 Ų51.444%0.44426%0.26SS..THydrogen-bonded Turntrans-106.52.3-175.4-64.4-49000112.7L611 L632 M633L611-N635 HydrophobicContact CD2-CB 4.21Å; L632-N635 PolarHBondContact O-N 3.32Å; L632-N635 VanDerWaalsContact O-N 3.12Å; M633-N635 VanDerWaalsContact C-N 3.26Å; M633-N635 PolarHBondContact O-N 3.2Å
636A87.1Confident88.9Confident24 Ų2452.7 Ų52.720%0.19827%0.267CS..  trans-85.8141.3-179.400000110.9L623 L632 M633 T639L623-A636 HydrophobicContact CB-CB 4.41Å; L623-A636 HydrophobicContact CD1-CB 3.55Å; L623-A636 HydrophobicContact CG-CB 3.72Å; L632-A636 PolarHBondContact O-N 3.12Å; M633-A636 PolarHBondContact O-N 3.09Å; A636-T639 HydrophobicContact CB-CG2 3.58Å
637Y91.7Very high89.2Confident117 Ų11754.5 Ų54.546%0.45928%0.277SS..SBendtrans-72.2-43.7163.5175.4-113.9000110.5R620 P621 I622R620-Y637 HydrophobicContact CB-CD2 4.32Å; R620-Y637 HydrophobicContact CB-CG 4.06Å; P621-Y637 WeakPolarHBondContact O-CB 3.19Å; P621-Y637 PolarHBondContact O-N 3.02Å; I622-Y637 HydrophobicContact CG1-CD1 4.39Å
638K94.5Very high89.7Confident49 Ų4950.2 Ų50.221%0.21326%0.257CS..EExtended strand (participates in β ladder)trans-147.8158.4172.5-69.1-171.9171.2-172.20110.2I535 E538 I622 L623I535-K638 HydrophobicContact CG1-CD 3.98Å; E538-K638 WeakPolarHBondContact OE1-CE 3.4Å; E538-K638 IonicContact OE1-NZ 3.69Å; E538-K638 PolarHBondContact OE1-NZ 3.47Å; E538-K638 WeakPolarHBondContact OE2-CE 3.34Å; E538-K638 IonicContact OE2-NZ 3.51Å; E538-K638 PolarHBondContact OE2-NZ 2.94Å; I622-K638 CarbonylContact C-O 3.52Å; I622-K638 WeakPolarHBondContact CA-O 3.28Å; I622-K638 HydrophobicContact CG1-CB 4.3Å; I622-K638 HydrophobicContact CG2-CB 4.36Å; L623-K638 PolarHBondContact N-O 2.8Å
639T95.5Very high90.6Very high21 Ų2143.9 Ų43.913%0.12922%0.223CC..EExtended strand (participates in β ladder)trans-123.7147177.4550000112K531 L623 M633 A636 E641K531-T639 WeakPolarHBondContact CE-O 3.48Å; K531-T639 PolarHBondContact NZ-O 3.21Å; L623-T639 HydrophobicContact CB-CG2 4.44Å; L623-T639 CarbonylContact O-C 3.55Å; L623-T639 VanDerWaalsContact O-CA 3.3Å; L623-T639 WeakPolarHBondContact O-CA 3.4Å; M633-T639 HydrophobicContact CG-CG2 3.99Å; A636-T639 HydrophobicContact CB-CG2 3.58Å; T639-E641 PolarHBondContact OG1-OE1 2.93Å
640I96.6Very high91.3Very high5 Ų543.8 Ų43.83%0.02622%0.222CC..EExtended strand (participates in β ladder)trans-119103.2163.6-59.4176.1000105.3L528 I532 I535 I622 L623 L624 C625 L642 P657L528-I640 HydrophobicContact CD1-CG2 4.03Å; I532-I640 HydrophobicContact CG1-CD1 4.24Å; I535-I640 HydrophobicContact CD1-CD1 3.73Å; I535-I640 HydrophobicContact CD1-CG1 3.63Å; I622-I640 HydrophobicContact CG2-CD1 4.47Å; L623-I640 PolarHBondContact O-N 2.94Å; L624-I640 WeakPolarHBondContact CA-O 3.49Å; L624-I640 HydrophobicContact CD1-CB 4.31Å; L624-I640 HydrophobicContact CD1-CD1 3.89Å; L624-I640 HydrophobicContact CD1-CG1 4.46Å; L624-I640 HydrophobicContact CG-CB 4.17Å; L624-I640 HydrophobicContact CG-CD1 4.42Å; C625-I640 PolarHBondContact N-O 3.44Å; I640-L642 HydrophobicContact CG2-CD2 3.91Å; I640-P657 HydrophobicContact CD1-CB 4.33Å; I640-P657 HydrophobicContact CG2-CB 4.19Å; I640-P657 HydrophobicContact CG2-CG 4.2Å
641E95.8Very high92.2Very high58 Ų5840.4 Ų40.427%0.27120%0.199SC..EExtended strand (participates in β ladder)trans-85.6117-176.3-65126.2-120.700110.3L528 K531 C625 Q627 T639L528-E641 WeakPolarHBondContact CD1-O 3.38Å; K531-E641 IonicContact NZ-OE1 2.58Å; K531-E641 PolarHBondContact NZ-OE1 3.48Å; C625-E641 CarbonylContact O-C 3.57Å; C625-E641 WeakPolarHBondContact O-CA 3.39Å; Q627-E641 HydrophobicContact CG-CB 3.9Å; T639-E641 PolarHBondContact OG1-OE1 2.93Å
642L96.7Very high93.2Very high0 Ų036 Ų360%018%0.175CC..EExtended strand (participates in β ladder)trans-103.7147.9-178.5-55.6-178.3000110.5V525 L528 M599 L624 C625 C626 Q627 I640 P657V525-L642 HydrophobicContact CG1-CD2 4.07Å; V525-L642 HydrophobicContact CG2-CD2 4.08Å; L528-L642 HydrophobicContact CD1-CD2 3.92Å; M599-L642 HydrophobicContact CE-CD1 3.73Å; M599-L642 HydrophobicContact SD-CD1 4.42Å; L624-L642 HydrophobicContact CB-CD1 4.39Å; L624-L642 HydrophobicContact CD2-CD1 4.48Å; C625-L642 PolarHBondContact O-N 3.15Å; C626-L642 CarbonylContact C-O 3.54Å; C626-L642 WeakPolarHBondContact CA-O 3.36Å; Q627-L642 PolarHBondContact N-O 3.28Å; I640-L642 HydrophobicContact CG2-CD2 3.91Å; L642-P657 HydrophobicContact CD1-CG 4.35Å; L642-P657 HydrophobicContact CD2-CG 3.68Å
643P96.8Very high94Very high6 Ų635.9 Ų35.94%0.03917%0.174CC..PPolyproline II helixtrans-65.7146170.626.8-29.6000110.5L521 K524 V525 Q650 L653L521-P643 HydrophobicContact CB-CG 4.28Å; L521-P643 HydrophobicContact CD2-CB 3.94Å; L521-P643 HydrophobicContact CD2-CG 4.18Å; K524-P643 HydrophobicContact CB-CG 4.37Å; V525-P643 HydrophobicContact CG2-CG 4.06Å; P643-Q650 PolarHBondContact O-NE2 2.6Å; P643-L653 HydrophobicContact CG-CD1 4.21Å
644Q95.1Very high94.9Very high83 Ų8332.5 Ų32.539%0.38816%0.158SC..PPolyproline II helixtrans-79139.2175.1-17867.634.100110.7R600 C626R600-Q644 PolarHBondContact O-NE2 3.04Å; C626-Q644 PolarHBondContact SG-OE1 2.67Å
645T96.4Very high95.7Very high18 Ų1825.4 Ų25.411%0.1113%0.127CC..  trans-135.3-168.4165.9-1700000110.3L649 Q650 L653T645-L649 HydrophobicContact CG2-CB 3.81Å; T645-Q650 HydrophobicContact CG2-CB 4.29Å; T645-L653 HydrophobicContact CG2-CD1 3.65Å; T645-L653 HydrophobicContact CG2-CG 4.38Å
646V97.2Very high96.5Very high27 Ų2721.4 Ų21.416%0.16411%0.106CC..  trans-59.8135.9171.5-173.10000109.1R507 D510 I511 C648 L649 Q650R507-V646 VanDerWaalsContact NH1-CG1 3.31Å; D510-V646 VanDerWaalsContact O-CG2 3.3Å; D510-V646 WeakPolarHBondContact O-CG2 3.36Å; I511-V646 HydrophobicContact CG1-CG1 4.06Å; V646-C648 VanDerWaalsContact C-N 3.3Å; V646-C648 PolarHBondContact O-N 3.1Å; V646-C648 VanDerWaalsContact O-N 3.16Å; V646-L649 HydrophobicContact CB-CD1 4.18Å; V646-L649 HydrophobicContact CB-CG 4.42Å; V646-L649 HydrophobicContact CG2-CD1 4.44Å; V646-L649 WeakPolarHBondContact O-CA 3.3Å; V646-L649 WeakPolarHBondContact O-CB 3.37Å; V646-L649 PolarHBondContact O-N 3.5Å; V646-Q650 PolarHBondContact O-N 2.88Å; V646-Q650 VanDerWaalsContact O-N 3.09Å
647D97.4Very high97.1Very high40 Ų4020.3 Ų20.321%0.21410%0.097CC..Hα-helixtrans-46.6-46.4-175.459.3-13.8000114.3R507 Y552 D601 L649 Q650R507-D647 IonicContact CZ-OD1 3.61Å; R507-D647 IonicContact NH1-OD1 2.83Å; R507-D647 PolarHBondContact NH1-OD1 2.93Å; R507-D647 IonicContact NH1-OD2 2.89Å; R507-D647 IonicContact NH2-OD1 3.51Å; R507-D647 PolarHBondContact NH2-OD1 3.34Å; R507-D647 IonicContact NH2-OD2 3.05Å; R507-D647 PolarHBondContact NH2-OD2 2.97Å; Y552-D647 HydrophobicContact CD2-CB 4.08Å; Y552-D647 HydrophobicContact CE2-CB 4.02Å; D601-D647 HydrophobicContact CB-CB 3.98Å; D647-L649 PolarHBondContact O-N 3.39Å; D647-Q650 WeakPolarHBondContact O-CB 3.4Å; D647-Q650 PolarHBondContact O-N 3.26Å
648C98.1Very high97.4Very high1 Ų114.8 Ų14.81%0.0078%0.075CC..Hα-helixtrans-71.5-13.1-179.969.70000114.5L392 F487 Y552 V646L392-C648 HydrophobicContact CB-CB 4.21Å; L392-C648 HydrophobicContact CD1-CB 3.86Å; L392-C648 HydrophobicContact CD2-CB 3.98Å; L392-C648 HydrophobicContact CG-CB 4.22Å; F487-C648 WeakPolarHBondContact CE2-O 3.13Å; Y552-C648 HydrophobicContact CD1-CB 4.27Å; Y552-C648 HydrophobicContact CE1-CB 3.65Å; Y552-C648 HydrophobicContact CE2-CB 4.27Å; V646-C648 VanDerWaalsContact C-N 3.3Å; V646-C648 PolarHBondContact O-N 3.1Å; V646-C648 VanDerWaalsContact O-N 3.16Å
649L98.5Very high97.6Very high0 Ų012.5 Ų12.50%07%0.065CC..Hα-helixtrans-99.5-17.4174.8-63.8174.8000112.5I491 G514 L515 T645 V646 D647 G651 I652I491-L649 HydrophobicContact CD1-CD2 3.27Å; I491-L649 HydrophobicContact CD1-CG 4.42Å; G514-L649 VanDerWaalsContact C-CD1 3.46Å; L515-L649 HydrophobicContact CD2-CD1 4.39Å; L515-L649 HydrophobicContact CD2-CD2 3.63Å; L515-L649 HydrophobicContact CG-CD1 4.19Å; L515-L649 HydrophobicContact CG-CD2 4.14Å; T645-L649 HydrophobicContact CG2-CB 3.81Å; V646-L649 HydrophobicContact CB-CD1 4.18Å; V646-L649 HydrophobicContact CB-CG 4.42Å; V646-L649 HydrophobicContact CG2-CD1 4.44Å; V646-L649 WeakPolarHBondContact O-CA 3.3Å; V646-L649 WeakPolarHBondContact O-CB 3.37Å; V646-L649 PolarHBondContact O-N 3.5Å; D647-L649 PolarHBondContact O-N 3.39Å; L649-G651 PolarHBondContact O-N 3.25Å; L649-G651 VanDerWaalsContact O-N 3.16Å; L649-I652 HydrophobicContact CD2-CD1 4.32Å; L649-I652 WeakPolarHBondContact O-CB 3.29Å; L649-I652 PolarHBondContact O-N 2.83Å
650Q98.3Very high97.7Very high1 Ų111.5 Ų11.51%0.0056%0.059CC..Hα-helixtrans-60.5-29.9-175.3-165.967.747.700112.3M599 P643 T645 V646 D647 I652 L653 S654M599-Q650 HydrophobicContact CB-CG 3.89Å; M599-Q650 HydrophobicContact CG-CG 3.58Å; M599-Q650 HydrophobicContact SD-CG 3.85Å; P643-Q650 PolarHBondContact O-NE2 2.6Å; T645-Q650 HydrophobicContact CG2-CB 4.29Å; V646-Q650 PolarHBondContact O-N 2.88Å; V646-Q650 VanDerWaalsContact O-N 3.09Å; D647-Q650 WeakPolarHBondContact O-CB 3.4Å; D647-Q650 PolarHBondContact O-N 3.26Å; Q650-I652 PolarHBondContact O-N 3.17Å; Q650-L653 PolarHBondContact O-N 2.82Å; Q650-S654 WeakPolarHBondContact O-CB 3.35Å; Q650-S654 PolarHBondContact O-N 3.04Å; Q650-S654 PolarHBondContact O-OG 3.28Å
651G98.1Very high97.8Very high0 Ų011.4 Ų11.40%06%0.059CC..Hα-helixtrans-51.6-41.2173.800000113L649 L653 S654 V655L649-G651 PolarHBondContact O-N 3.25Å; L649-G651 VanDerWaalsContact O-N 3.16Å; G651-L653 PolarHBondContact O-N 2.76Å; G651-S654 VanDerWaalsContact CA-OG 3.31Å; G651-S654 WeakPolarHBondContact CA-OG 3.39Å; G651-S654 PolarHBondContact O-N 2.98Å; G651-S654 PolarHBondContact O-OG 2.75Å; G651-V655 PolarHBondContact O-N 3.39Å; G651-V655 VanDerWaalsContact O-N 3.12Å
652I98.6Very high97.9Very high0 Ų08.7 Ų8.70%05%0.046CC..Hα-helixtrans-63.6-40.3178.7-62.4172.4000111.1T484 F487 V488 L518 I522 L649 Q650 V655 I656T484-I652 HydrophobicContact CG2-CG2 3.88Å; F487-I652 HydrophobicContact CB-CD1 4.33Å; F487-I652 HydrophobicContact CB-CG1 4.26Å; F487-I652 HydrophobicContact CD1-CD1 4.35Å; F487-I652 HydrophobicContact CD1-CG1 3.57Å; F487-I652 HydrophobicContact CD2-CD1 4.23Å; F487-I652 HydrophobicContact CD2-CG1 4.27Å; F487-I652 HydrophobicContact CE1-CG1 3.89Å; F487-I652 HydrophobicContact CG-CD1 4.06Å; F487-I652 HydrophobicContact CG-CG1 3.78Å; F487-I652 HydrophobicContact CZ-CG1 4.41Å; V488-I652 HydrophobicContact CG2-CD1 3.68Å; L518-I652 HydrophobicContact CD1-CB 4.36Å; L518-I652 HydrophobicContact CD1-CG2 4.1Å; L518-I652 HydrophobicContact CD2-CD1 3.7Å; L518-I652 HydrophobicContact CD2-CG2 4.34Å; I522-I652 HydrophobicContact CD1-CG2 4.14Å; I522-I652 HydrophobicContact CG1-CG2 4.48Å; L649-I652 HydrophobicContact CD2-CD1 4.32Å; L649-I652 WeakPolarHBondContact O-CB 3.29Å; L649-I652 PolarHBondContact O-N 2.83Å; Q650-I652 PolarHBondContact O-N 3.17Å; I652-V655 WeakPolarHBondContact O-CG1 3.15Å; I652-I656 WeakPolarHBondContact O-CG1 3.4Å
653L98.6Very high98Very high0 Ų09 Ų90%05%0.047CC..Hα-helixtrans-74.9-35.1178.5-59.3-178.7000111.9L518 L521 I522 V525 P643 T645 Q650 G651 P657L518-L653 HydrophobicContact CD1-CD2 3.92Å; L518-L653 HydrophobicContact CD1-CG 4.29Å; L521-L653 HydrophobicContact CB-CD1 4.03Å; L521-L653 HydrophobicContact CB-CD2 3.87Å; L521-L653 HydrophobicContact CD1-CD1 4.11Å; I522-L653 HydrophobicContact CG1-CD2 3.84Å; V525-L653 HydrophobicContact CG2-CB 4.24Å; V525-L653 HydrophobicContact CG2-CD2 4.15Å; P643-L653 HydrophobicContact CG-CD1 4.21Å; T645-L653 HydrophobicContact CG2-CD1 3.65Å; T645-L653 HydrophobicContact CG2-CG 4.38Å; Q650-L653 PolarHBondContact O-N 2.82Å; G651-L653 PolarHBondContact O-N 2.76Å; L653-P657 WeakPolarHBondContact O-CD 3.43Å
654S98.3Very high98.1Very high0 Ų09.2 Ų9.20%05%0.048CC..Hα-helixtrans-75-23.7-176.3690000114.7N553 T556 L624 Q650 G651 P657N553-S654 PolarHBondContact OD1-OG 2.78Å; T556-S654 WeakPolarHBondContact CG2-OG 3.1Å; T556-S654 PolarHBondContact OG1-OG 2.94Å; L624-S654 VanDerWaalsContact CD2-O 3.3Å; L624-S654 WeakPolarHBondContact CD2-O 3.33Å; Q650-S654 WeakPolarHBondContact O-CB 3.35Å; Q650-S654 PolarHBondContact O-N 3.04Å; Q650-S654 PolarHBondContact O-OG 3.28Å; G651-S654 VanDerWaalsContact CA-OG 3.31Å; G651-S654 WeakPolarHBondContact CA-OG 3.39Å; G651-S654 PolarHBondContact O-N 2.98Å; G651-S654 PolarHBondContact O-OG 2.75Å; S654-P657 WeakPolarHBondContact O-CD 3.43Å
655V98.6Very high98.2Very high0 Ų05.3 Ų5.30%03%0.029CC..Hα-helixtrans-80.4-31.1179.976.30000112.6Y483 T484 T556 E559 G651 I652 L658 Q659Y483-V655 HydrophobicContact CD1-CG1 4.14Å; Y483-V655 HydrophobicContact CE1-CB 4.21Å; Y483-V655 HydrophobicContact CE1-CG1 3.81Å; Y483-V655 HydrophobicContact CE1-CG2 4.08Å; T484-V655 HydrophobicContact CG2-CG1 4.25Å; T556-V655 HydrophobicContact CG2-CB 4.24Å; E559-V655 HydrophobicContact CB-CG2 4.17Å; E559-V655 HydrophobicContact CG-CG2 3.69Å; G651-V655 PolarHBondContact O-N 3.39Å; G651-V655 VanDerWaalsContact O-N 3.12Å; I652-V655 WeakPolarHBondContact O-CG1 3.15Å; V655-L658 WeakPolarHBondContact O-CA 3.17Å; V655-L658 WeakPolarHBondContact O-CB 3.21Å; V655-L658 PolarHBondContact O-N 3.34Å; V655-Q659 PolarHBondContact O-N 2.82Å
656I98.8Very high98.3Very high0 Ų04.4 Ų4.40%02%0.024CC..Hα-helixtrans-60.6-42.2-174.5-64.4175000112.4I334 I522 V525 L526 I652 L658 Q659 L660I334-I656 HydrophobicContact CG2-CG2 4.37Å; I522-I656 HydrophobicContact CB-CD1 4.32Å; I522-I656 HydrophobicContact CG1-CD1 3.98Å; I522-I656 HydrophobicContact CG2-CD1 3.64Å; V525-I656 HydrophobicContact CG1-CB 3.97Å; V525-I656 HydrophobicContact CG1-CG2 3.89Å; L526-I656 HydrophobicContact CD2-CG2 3.72Å; L526-I656 HydrophobicContact CG-CG2 4.47Å; I652-I656 WeakPolarHBondContact O-CG1 3.4Å; I656-L658 PolarHBondContact O-N 2.55Å; I656-Q659 WeakPolarHBondContact O-CB 3.26Å; I656-Q659 PolarHBondContact O-N 3.05Å; I656-Q659 VanDerWaalsContact O-N 3.15Å; I656-L660 HydrophobicContact CG2-CD1 4.27Å; I656-L660 HydrophobicContact CG2-CG 4.47Å; I656-L660 PolarHBondContact O-N 3.09Å
657P98.7Very high98.2Very high1 Ų16.3 Ų6.31%0.0064%0.035CC..Hα-helixtrans-59.1-32.2173.4-24.132.3000113.6V525 I532 L624 I640 L642 L653 S654 L661V525-P657 HydrophobicContact CG1-CG 3.88Å; I532-P657 HydrophobicContact CD1-CB 3.9Å; I532-P657 HydrophobicContact CG1-CB 4.48Å; L624-P657 HydrophobicContact CD2-CB 4.16Å; L624-P657 HydrophobicContact CD2-CG 4.24Å; I640-P657 HydrophobicContact CD1-CB 4.33Å; I640-P657 HydrophobicContact CG2-CB 4.19Å; I640-P657 HydrophobicContact CG2-CG 4.2Å; L642-P657 HydrophobicContact CD1-CG 4.35Å; L642-P657 HydrophobicContact CD2-CG 3.68Å; L653-P657 WeakPolarHBondContact O-CD 3.43Å; S654-P657 WeakPolarHBondContact O-CD 3.43Å; P657-L661 WeakPolarHBondContact O-CB 3.47Å; P657-L661 PolarHBondContact O-N 3.1Å
658L98.6Very high98.2Very high1 Ų17.3 Ų7.31%0.0054%0.04CC..Hα-helixtrans-76.4-34.2178-54.9-179.9000111.4V547 T556 I595 L624 V655 I656 S662V547-L658 HydrophobicContact CG1-CD1 4.08Å; T556-L658 HydrophobicContact CG2-CD1 3.86Å; I595-L658 HydrophobicContact CD1-CD2 4.16Å; I595-L658 HydrophobicContact CG2-CD2 4.14Å; L624-L658 HydrophobicContact CD2-CD2 4.25Å; L624-L658 HydrophobicContact CD2-CG 4.31Å; V655-L658 WeakPolarHBondContact O-CA 3.17Å; V655-L658 WeakPolarHBondContact O-CB 3.21Å; V655-L658 PolarHBondContact O-N 3.34Å; I656-L658 PolarHBondContact O-N 2.55Å; L658-S662 WeakPolarHBondContact O-CB 3.37Å; L658-S662 PolarHBondContact O-N 2.83Å; L658-S662 PolarHBondContact O-OG 3.24Å
659Q98.6Very high98.2Very high0 Ų09.8 Ų9.80%05%0.05CC..Hα-helixtrans-61.8-50.6169.9-65.3170.5-17.800110.7I334 T480 V655 I656 L661 S662 F663I334-Q659 HydrophobicContact CD1-CB 3.92Å; I334-Q659 HydrophobicContact CG1-CB 4.08Å; T480-Q659 HydrophobicContact CG2-CG 4.45Å; V655-Q659 PolarHBondContact O-N 2.82Å; I656-Q659 WeakPolarHBondContact O-CB 3.26Å; I656-Q659 PolarHBondContact O-N 3.05Å; I656-Q659 VanDerWaalsContact O-N 3.15Å; Q659-L661 PolarHBondContact O-N 2.81Å; Q659-S662 PolarHBondContact O-N 3.48Å; Q659-S662 PolarHBondContact O-OG 3.25Å; Q659-F663 PolarHBondContact O-N 3.09Å
660L98.6Very high98Very high0 Ų013 Ų130%08%0.083CC..Hα-helixtrans-61.3-43.3176.3-69.9175.5000112I334 F335 L526 D529 I532 I656 S662 F663 H664I334-L660 HydrophobicContact CD1-CD2 4.38Å; I334-L660 HydrophobicContact CG2-CD2 3.57Å; I334-L660 HydrophobicContact CG2-CG 4.01Å; F335-L660 HydrophobicContact CD2-CD2 4.42Å; F335-L660 HydrophobicContact CE2-CD2 3.66Å; F335-L660 HydrophobicContact CZ-CD2 4.24Å; L526-L660 HydrophobicContact CD2-CD1 4.34Å; D529-L660 WeakPolarHBondContact OD1-CD2 3.48Å; I532-L660 HydrophobicContact CD1-CB 4.02Å; I532-L660 HydrophobicContact CD1-CD1 3.59Å; I532-L660 HydrophobicContact CD1-CG 4.45Å; I532-L660 HydrophobicContact CG2-CB 3.94Å; I656-L660 HydrophobicContact CG2-CD1 4.27Å; I656-L660 HydrophobicContact CG2-CG 4.47Å; I656-L660 PolarHBondContact O-N 3.09Å; L660-S662 VanDerWaalsContact C-N 3.32Å; L660-S662 PolarHBondContact O-N 3.29Å; L660-F663 WeakPolarHBondContact O-CB 3.27Å; L660-F663 PolarHBondContact O-N 3.28Å; L660-H664 PolarHBondContact O-CD2 2.91Å; L660-H664 PolarHBondContact O-N 3.15Å
661L98.5Very high97.8Very high4 Ų417.3 Ų17.32%0.02110%0.1CC..Hα-helixtrans-59-46.1176.6178.563000110.8I532 I535 A536 L539 I564 I595 P657 Q659 F663 H664 L665I532-L661 HydrophobicContact CG2-CB 3.86Å; I532-L661 HydrophobicContact CG2-CD1 4.41Å; I535-L661 HydrophobicContact CG2-CD1 4.25Å; A536-L661 HydrophobicContact CB-CD1 3.84Å; L539-L661 HydrophobicContact CD1-CD1 4.33Å; L539-L661 HydrophobicContact CD1-CD2 4.33Å; I564-L661 HydrophobicContact CD1-CD2 4.44Å; I595-L661 HydrophobicContact CD1-CD2 3.45Å; I595-L661 VanDerWaalsContact CD1-CD2 3.45Å; P657-L661 WeakPolarHBondContact O-CB 3.47Å; P657-L661 PolarHBondContact O-N 3.1Å; Q659-L661 PolarHBondContact O-N 2.81Å; L661-F663 VanDerWaalsContact C-N 3.34Å; L661-F663 PolarHBondContact O-N 3.07Å; L661-H664 PolarHBondContact O-N 3.49Å; L661-L665 HydrophobicContact CD1-CD1 4.07Å; L661-L665 HydrophobicContact CD1-CG 4.09Å; L661-L665 HydrophobicContact CG-CD1 3.85Å; L661-L665 HydrophobicContact CG-CG 4.31Å; L661-L665 VanDerWaalsContact O-CB 3.3Å; L661-L665 WeakPolarHBondContact O-CB 3.34Å; L661-L665 WeakPolarHBondContact O-CG 3.43Å; L661-L665 PolarHBondContact O-N 3.03Å
662S97.9Very high97.5Very high0 Ų020.3 Ų20.30%012%0.116CC..Hα-helixtrans-61.3-43.117870.50000111.7I567 T568 L658 Q659 L660 L665 A666I567-S662 VanDerWaalsContact CD1-C 3.46Å; I567-S662 WeakPolarHBondContact CD1-O 3.17Å; I567-S662 VanDerWaalsContact CD1-OG 3.31Å; I567-S662 WeakPolarHBondContact CD1-OG 3.49Å; T568-S662 VanDerWaalsContact CG2-O 3.28Å; T568-S662 WeakPolarHBondContact CG2-O 3.35Å; L658-S662 WeakPolarHBondContact O-CB 3.37Å; L658-S662 PolarHBondContact O-N 2.83Å; L658-S662 PolarHBondContact O-OG 3.24Å; Q659-S662 PolarHBondContact O-N 3.48Å; Q659-S662 PolarHBondContact O-OG 3.25Å; L660-S662 VanDerWaalsContact C-N 3.32Å; L660-S662 PolarHBondContact O-N 3.29Å; S662-L665 PolarHBondContact O-N 3.45Å; S662-A666 WeakPolarHBondContact O-CB 3.28Å; S662-A666 PolarHBondContact O-N 3.03Å
663F98.2Very high97.1Very high7 Ų720.7 Ų20.73%0.03112%0.118CC..Hα-helixtrans-59.3-53.8176.5167.2-99.4000111.2A328 M330 Q331 I334 Q659 L660 L661 L665 A666 V667 V673A328-F663 HydrophobicContact CB-CE2 4.03Å; M330-F663 HydrophobicContact SD-CB 4.42Å; Q331-F663 HydrophobicContact CB-CD2 4.27Å; Q331-F663 HydrophobicContact CB-CE1 4.48Å; Q331-F663 HydrophobicContact CB-CE2 3.74Å; Q331-F663 HydrophobicContact CB-CZ 3.85Å; Q331-F663 HydrophobicContact CG-CE1 4.14Å; Q331-F663 HydrophobicContact CG-CE2 4.28Å; Q331-F663 HydrophobicContact CG-CZ 3.89Å; I334-F663 HydrophobicContact CD1-CB 4.37Å; Q659-F663 PolarHBondContact O-N 3.09Å; L660-F663 WeakPolarHBondContact O-CB 3.27Å; L660-F663 PolarHBondContact O-N 3.28Å; L661-F663 VanDerWaalsContact C-N 3.34Å; L661-F663 PolarHBondContact O-N 3.07Å; F663-L665 VanDerWaalsContact C-N 3.34Å; F663-L665 PolarHBondContact O-N 3.44Å; F663-A666 PolarHBondContact O-N 2.81Å; F663-V667 HydrophobicContact CD2-CG2 4.27Å; F663-V667 HydrophobicContact CE1-CG2 4.22Å; F663-V667 HydrophobicContact CE2-CG2 3.83Å; F663-V667 HydrophobicContact CZ-CG2 3.8Å; F663-V667 WeakPolarHBondContact O-CG2 3.45Å; F663-V667 PolarHBondContact O-N 2.95Å; F663-V673 HydrophobicContact CD2-CB 4.32Å; F663-V673 HydrophobicContact CD2-CG1 3.96Å; F663-V673 HydrophobicContact CD2-CG2 4.06Å; F663-V673 HydrophobicContact CE2-CG1 4.39Å; F663-V673 HydrophobicContact CE2-CG2 3.96Å
664H98.4Very high96.6Very high11 Ų1121.2 Ų21.25%0.05112%0.121CC..Hα-helixtrans-63.3-38.8-179-71.9-59.7000112.5D529 A536 L660 L661 A666 V667 L668D529-H664 IonicContact OD1-CD2 2.89Å; D529-H664 IonicContact OD1-CE1 2.87Å; D529-H664 IonicContact OD1-NE2 2.85Å; D529-H664 PolarHBondContact OD1-NE2 3.31Å; D529-H664 IonicContact OD2-CE1 3.42Å; D529-H664 IonicContact OD2-NE2 2.75Å; A536-H664 HydrophobicContact CB-CB 3.55Å; L660-H664 PolarHBondContact O-CD2 2.91Å; L660-H664 PolarHBondContact O-N 3.15Å; L661-H664 PolarHBondContact O-N 3.49Å; H664-A666 VanDerWaalsContact C-N 3.35Å; H664-A666 PolarHBondContact O-N 2.79Å; H664-V667 PolarHBondContact O-N 3.41Å; H664-L668 WeakPolarHBondContact O-CB 3.38Å; H664-L668 VanDerWaalsContact O-CG 3.22Å; H664-L668 WeakPolarHBondContact O-CG 3.5Å; H664-L668 PolarHBondContact O-N 3.02Å
665L98.1Very high96Very high0 Ų022 Ų220%013%0.126CC..Hα-helixtrans-61.1-42.5175.3-77.1173.1000112.1A536 L539 I564 T568 M570 L661 S662 F663 R669A536-L665 HydrophobicContact CB-CD2 4.2Å; A536-L665 HydrophobicContact CB-CG 4.2Å; L539-L665 HydrophobicContact CB-CD2 3.89Å; I564-L665 HydrophobicContact CG2-CD1 4.48Å; T568-L665 HydrophobicContact CG2-CB 3.49Å; T568-L665 VanDerWaalsContact CG2-CB 3.49Å; T568-L665 HydrophobicContact CG2-CD1 4.27Å; M570-L665 HydrophobicContact CE-CD1 4.07Å; M570-L665 HydrophobicContact CE-CD2 4.15Å; L661-L665 HydrophobicContact CD1-CD1 4.07Å; L661-L665 HydrophobicContact CD1-CG 4.09Å; L661-L665 HydrophobicContact CG-CD1 3.85Å; L661-L665 HydrophobicContact CG-CG 4.31Å; L661-L665 VanDerWaalsContact O-CB 3.3Å; L661-L665 WeakPolarHBondContact O-CB 3.34Å; L661-L665 WeakPolarHBondContact O-CG 3.43Å; L661-L665 PolarHBondContact O-N 3.03Å; S662-L665 PolarHBondContact O-N 3.45Å; F663-L665 VanDerWaalsContact C-N 3.34Å; F663-L665 PolarHBondContact O-N 3.44Å; L665-R669 WeakPolarHBondContact O-CB 3.4Å; L665-R669 VanDerWaalsContact O-CG 3.23Å; L665-R669 WeakPolarHBondContact O-CG 3.5Å; L665-R669 PolarHBondContact O-N 2.88Å; L665-R669 VanDerWaalsContact O-N 3.1Å
666A97.2Very high95.4Very high0 Ų022 Ų220%013%0.127CC..Hα-helixtrans-67.9-43.4178.400000111.9I567 T568 S662 F663 H664 L668 R669 G670 Y671 V673I567-A666 HydrophobicContact CB-CB 4.33Å; I567-A666 HydrophobicContact CG1-CB 4.03Å; I567-A666 WeakPolarHBondContact O-CB 3.37Å; T568-A666 HydrophobicContact CG2-CB 4.23Å; S662-A666 WeakPolarHBondContact O-CB 3.28Å; S662-A666 PolarHBondContact O-N 3.03Å; F663-A666 PolarHBondContact O-N 2.81Å; H664-A666 VanDerWaalsContact C-N 3.35Å; H664-A666 PolarHBondContact O-N 2.79Å; A666-L668 PolarHBondContact O-N 2.97Å; A666-R669 CarbonylContact O-C 3.58Å; A666-R669 PolarHBondContact O-N 3.07Å; A666-R669 VanDerWaalsContact O-N 3.16Å; A666-G670 PolarHBondContact O-N 2.86Å; A666-Y671 PolarHBondContact O-N 2.84Å; A666-V673 HydrophobicContact CB-CG1 3.48Å; A666-V673 VanDerWaalsContact CB-CG1 3.48Å
667V97Very high94.6Very high66 Ų6628.9 Ų28.940%0.415%0.152SC..Hα-helixtrans-59.8-47.2175.2172.60000111F663 H664 R669 G670 V673F663-V667 HydrophobicContact CD2-CG2 4.27Å; F663-V667 HydrophobicContact CE1-CG2 4.22Å; F663-V667 HydrophobicContact CE2-CG2 3.83Å; F663-V667 HydrophobicContact CZ-CG2 3.8Å; F663-V667 WeakPolarHBondContact O-CG2 3.45Å; F663-V667 PolarHBondContact O-N 2.95Å; H664-V667 PolarHBondContact O-N 3.41Å; V667-R669 PolarHBondContact O-N 3.16Å; V667-G670 PolarHBondContact O-N 3.26Å; V667-V673 HydrophobicContact CG2-CG1 4.28Å
668L97.4Very high93.6Very high62 Ų6235.1 Ų35.133%0.32519%0.186SC..Hα-helixtrans-62.9-28.1177.7-73.3169.4000113.2A536 N537 Y540 H664 A666 G670A536-L668 HydrophobicContact CB-CD1 3.85Å; N537-L668 HydrophobicContact CB-CD1 4.43Å; N537-L668 VanDerWaalsContact OD1-CD2 3.31Å; N537-L668 WeakPolarHBondContact OD1-CD2 3.5Å; Y540-L668 HydrophobicContact CD2-CB 4.49Å; Y540-L668 HydrophobicContact CG-CB 4.16Å; H664-L668 WeakPolarHBondContact O-CB 3.38Å; H664-L668 VanDerWaalsContact O-CG 3.22Å; H664-L668 WeakPolarHBondContact O-CG 3.5Å; H664-L668 PolarHBondContact O-N 3.02Å; A666-L668 PolarHBondContact O-N 2.97Å; L668-G670 VanDerWaalsContact C-N 3.29Å
669R96.6Very high92.6Very high52 Ų5238.2 Ų38.220%0.19620%0.202CC..THydrogen-bonded Turntrans-83.6-2174.2-71.4176.6176.7-159.1-4.8113.6Y540 Q542 T568 L665 A666 V667 Y671Y540-R669 VanDerWaalsContact O-CZ 3.24Å; Y540-R669 PolarHBondContact O-NE 2.68Å; Y540-R669 PolarHBondContact O-NH2 2.78Å; Q542-R669 PolarHBondContact O-NH2 2.7Å; T568-R669 PolarHBondContact O-NH1 3.18Å; L665-R669 WeakPolarHBondContact O-CB 3.4Å; L665-R669 VanDerWaalsContact O-CG 3.23Å; L665-R669 WeakPolarHBondContact O-CG 3.5Å; L665-R669 PolarHBondContact O-N 2.88Å; L665-R669 VanDerWaalsContact O-N 3.1Å; A666-R669 CarbonylContact O-C 3.58Å; A666-R669 PolarHBondContact O-N 3.07Å; A666-R669 VanDerWaalsContact O-N 3.16Å; V667-R669 PolarHBondContact O-N 3.16Å; R669-Y671 VanDerWaalsContact C-N 3.33Å; R669-Y671 HydrophobicContact CB-CD2 3.63Å; R669-Y671 HydrophobicContact CB-CE1 4.45Å; R669-Y671 HydrophobicContact CB-CE2 3.52Å; R669-Y671 HydrophobicContact CB-CG 4.14Å; R669-Y671 HydrophobicContact CG-CE2 4.19Å
670G95Very high91.4Very high68 Ų6838.7 Ų38.770%0.70121%0.206SC*.THydrogen-bonded Turntrans70.527.2-177.700000113.6A666 V667 L668A666-G670 PolarHBondContact O-N 2.86Å; V667-G670 PolarHBondContact O-N 3.26Å; L668-G670 VanDerWaalsContact C-N 3.29Å
671Y94.2Very high90.4Very high91 Ų9140.4 Ų40.436%0.35721%0.213SC..  trans-94.7149.1177.7-58.6-30.8000112T568 Y569 A666 R669 V673T568-Y671 VanDerWaalsContact O-CE2 3.3Å; T568-Y671 WeakPolarHBondContact O-CE2 3.42Å; Y569-Y671 AromaticContact CD2-CD2 3.62Å; Y569-Y671 HydrophobicContact CD2-CD2 3.62Å; Y569-Y671 HydrophobicContact CD2-CE1 4.31Å; Y569-Y671 AromaticContact CD2-CE2 3.31Å; Y569-Y671 HydrophobicContact CD2-CE2 3.31Å; Y569-Y671 HydrophobicContact CD2-CG 4.25Å; Y569-Y671 AromaticContact CD2-CZ 3.71Å; Y569-Y671 HydrophobicContact CE2-CD1 4.05Å; Y569-Y671 AromaticContact CE2-CD2 3.55Å; Y569-Y671 HydrophobicContact CE2-CD2 3.55Å; Y569-Y671 HydrophobicContact CE2-CE1 4.2Å; Y569-Y671 AromaticContact CE2-CE2 3.7Å; Y569-Y671 HydrophobicContact CE2-CE2 3.7Å; Y569-Y671 AromaticContact CE2-CG 3.75Å; Y569-Y671 HydrophobicContact CE2-CG 3.75Å; Y569-Y671 HydrophobicContact CG-CE2 4.34Å; A666-Y671 PolarHBondContact O-N 2.84Å; R669-Y671 VanDerWaalsContact C-N 3.33Å; R669-Y671 HydrophobicContact CB-CD2 3.63Å; R669-Y671 HydrophobicContact CB-CE1 4.45Å; R669-Y671 HydrophobicContact CB-CE2 3.52Å; R669-Y671 HydrophobicContact CB-CG 4.14Å; R669-Y671 HydrophobicContact CG-CE2 4.19Å; Y671-V673 PolarHBondContact O-N 3.3Å
672D91Very high89.3Confident63 Ų6340.6 Ų40.634%0.33722%0.215SC..  trans-79.6110172.8-173.5-13.8000109.9K66 D674 C675K66-D672 IonicContact NZ-OD2 2.9Å; K66-D672 PolarHBondContact NZ-OD2 3.2Å; D672-D674 VanDerWaalsContact C-N 3.31Å; D672-D674 PolarHBondContact O-N 3.31Å; D672-D674 PolarHBondContact OD1-N 3.24Å; D672-C675 CarbonylContact O-C 3.46Å; D672-C675 PolarHBondContact O-N 2.78Å; D672-C675 PolarHBondContact OD1-N 3.45Å
673V91.4Very high88.4Confident8 Ų844 Ų445%0.04824%0.235CC..SBendtrans-71-24.8-178.9-66.60000113.5A328 M330 F663 A666 V667 Y671A328-V673 HydrophobicContact CB-CG2 3.35Å; M330-V673 HydrophobicContact CB-CG2 4.46Å; M330-V673 HydrophobicContact SD-CB 4.3Å; F663-V673 HydrophobicContact CD2-CB 4.32Å; F663-V673 HydrophobicContact CD2-CG1 3.96Å; F663-V673 HydrophobicContact CD2-CG2 4.06Å; F663-V673 HydrophobicContact CE2-CG1 4.39Å; F663-V673 HydrophobicContact CE2-CG2 3.96Å; A666-V673 HydrophobicContact CB-CG1 3.48Å; A666-V673 VanDerWaalsContact CB-CG1 3.48Å; V667-V673 HydrophobicContact CG2-CG1 4.28Å; Y671-V673 PolarHBondContact O-N 3.3Å
674D88.4Confident87.3Confident11 Ų1144.7 Ų44.76%0.05924%0.24CC..SBendtrans-85.5-22.3-179.4-68.9-25.7000111K323 A328 F329 M330 V477 D672K323-D674 WeakPolarHBondContact CE-OD2 3.2Å; K323-D674 IonicContact NZ-OD2 2.92Å; K323-D674 PolarHBondContact NZ-OD2 2.7Å; A328-D674 WeakPolarHBondContact CA-OD2 3.49Å; F329-D674 WeakPolarHBondContact CA-OD1 3.48Å; F329-D674 WeakPolarHBondContact CB-OD1 3.31Å; F329-D674 VanDerWaalsContact N-CG 3.31Å; F329-D674 PolarHBondContact N-OD1 2.76Å; F329-D674 PolarHBondContact N-OD2 3.39Å; M330-D674 PolarHBondContact N-OD1 2.73Å; V477-D674 WeakPolarHBondContact CG2-O 3.4Å; D672-D674 VanDerWaalsContact C-N 3.31Å; D672-D674 PolarHBondContact O-N 3.31Å; D672-D674 PolarHBondContact OD1-N 3.24Å
675C84.8Confident85.9Confident17 Ų1745.3 Ų45.312%0.11525%0.245CC..SBendtrans-13266.8-178.2-61.80000112.6Y35 D672 R677Y35-C675 HydrophobicContact CD1-CB 4.36Å; Y35-C675 HydrophobicContact CE1-CB 4.02Å; Y35-C675 HydrophobicContact CE2-CB 4.27Å; D672-C675 CarbonylContact O-C 3.46Å; D672-C675 PolarHBondContact O-N 2.78Å; D672-C675 PolarHBondContact OD1-N 3.45Å; C675-R677 PolarHBondContact O-N 2.89Å
676P85.3Confident83.7Confident1 Ų154.6 Ų54.61%0.00629%0.288CS..  trans-66.3130.8179.527.7-34.1000111.7Y35 V477 E566 I567 Y569 L679Y35-P676 PolarHBondContact OH-O 2.88Å; V477-P676 HydrophobicContact CB-CG 3.86Å; V477-P676 HydrophobicContact CG1-CG 3.55Å; E566-P676 WeakPolarHBondContact O-CB 3.33Å; I567-P676 HydrophobicContact CG2-CB 4.46Å; Y569-P676 HydrophobicContact CE1-CB 4.49Å; Y569-P676 WeakPolarHBondContact OH-CA 3.15Å; P676-L679 HydrophobicContact CB-CD1 4.45Å; P676-L679 HydrophobicContact CG-CB 4.27Å; P676-L679 HydrophobicContact CG-CD1 4.31Å; P676-L679 PolarHBondContact O-N 3.2Å
677R81.6Confident83.1Confident144 Ų14457.4 Ų57.454%0.54330%0.303SS..THydrogen-bonded Turntrans-51.9143.9-173.474.3-165.3172.6162.10112.8Y569 C675 L679Y569-R677 HydrophobicContact CD1-CG 4.42Å; Y569-R677 HydrophobicContact CE1-CG 3.64Å; Y569-R677 HydrophobicContact CE2-CG 4.22Å; Y569-R677 PolarHBondContact OH-N 3.47Å; C675-R677 PolarHBondContact O-N 2.89Å; R677-L679 PolarHBondContact O-N 3.35Å; R677-L679 VanDerWaalsContact O-N 3.17Å
678N78.4Confident82.3Confident132 Ų13256.9 Ų56.971%0.70630%0.298SS*.THydrogen-bonded Turntrans63.86.8177.7-50.2-26.8000115.6
679L78.5Confident81.5Confident65 Ų6556.6 Ų56.634%0.3430%0.296SS..  trans-118.5150179-64.7175.8000110.5Y35 V477 E566 P676 R677Y35-L679 PolarHBondContact OH-O 3.17Å; V477-L679 HydrophobicContact CG1-CB 4.18Å; E566-L679 HydrophobicContact CB-CD1 4.15Å; E566-L679 HydrophobicContact CG-CD1 4.05Å; P676-L679 HydrophobicContact CB-CD1 4.45Å; P676-L679 HydrophobicContact CG-CB 4.27Å; P676-L679 HydrophobicContact CG-CD1 4.31Å; P676-L679 PolarHBondContact O-N 3.2Å; R677-L679 PolarHBondContact O-N 3.35Å; R677-L679 VanDerWaalsContact O-N 3.17Å
680A72.6Confident80.6Confident10 Ų1056.9 Ų56.98%0.08330%0.302CS..  trans-123.6155.5165.300000108.2R33 W97 S682R33-A680 WeakPolarHBondContact O-CB 3.38Å; W97-A680 HydrophobicContact CD2-CB 3.55Å; W97-A680 HydrophobicContact CE3-CB 3.57Å; W97-A680 HydrophobicContact CG-CB 4.12Å; W97-A680 HydrophobicContact CH2-CB 4.01Å; W97-A680 HydrophobicContact CZ2-CB 4.02Å; W97-A680 HydrophobicContact CZ3-CB 3.79Å; A680-S682 PolarHBondContact O-N 3.49Å
681K78.1Confident79.7Confident37 Ų3756.2 Ų56.216%0.16128%0.277CS..SBendtrans-58.9-33.8-177-173.6177.5171.3-131.80114.3Y32 E474 G476 V477Y32-K681 HydrophobicContact CD2-CB 4.07Å; Y32-K681 HydrophobicContact CD2-CD 3.46Å; Y32-K681 VanDerWaalsContact CD2-CD 3.46Å; Y32-K681 HydrophobicContact CD2-CG 4.43Å; Y32-K681 HydrophobicContact CE2-CD 3.6Å; E474-K681 VanDerWaalsContact O-CE 3.26Å; E474-K681 WeakPolarHBondContact O-CE 3.44Å; E474-K681 PolarHBondContact O-NZ 3.26Å; G476-K681 WeakPolarHBondContact O-CD 3.39Å; V477-K681 HydrophobicContact CG2-CB 4.19Å
682S75.6Confident78.7Confident8 Ų853.9 Ų53.96%0.05627%0.272CS..  trans-132.9134.3179.358.90000111.9M1 A680M1-S682 WeakPolarHBondContact CB-OG 3.38Å; M1-S682 PolarHBondContact N-O 3.15Å; A680-S682 PolarHBondContact O-N 3.49Å
683V79.6Confident77.9Confident70 Ų7053.2 Ų53.242%0.42427%0.267SS..  trans-98.7103.2174.6-174.70000108W97 T431 A432W97-V683 HydrophobicContact CH2-CG2 4.34Å; T431-V683 VanDerWaalsContact CA-O 3.29Å; T431-V683 WeakPolarHBondContact CA-O 3.49Å; A432-V683 PolarHBondContact N-O 3.46Å; A432-V683 VanDerWaalsContact N-O 3.08Å
684T73.8Confident76.8Confident22 Ų2256.7 Ų56.714%0.13528%0.284CS..  trans-123.47.7-169.362.60000113.1M1 E430M1-T684 HydrophobicContact CB-CG2 4.28Å; M1-T684 HydrophobicContact CE-CG2 3.06Å; M1-T684 WeakPolarHBondContact CE-OG1 3.47Å; M1-T684 HydrophobicContact CG-CG2 4.43Å; M1-T684 VanDerWaalsContact CG-OG1 3.29Å; M1-T684 WeakPolarHBondContact CG-OG1 3.21Å; E430-T684 HydrophobicContact CB-CG2 3.84Å; E430-T684 WeakPolarHBondContact O-CG2 3.36Å
685V68.5Low75.8Confident24 Ų2460.5 Ų60.515%0.14530%0.303CS..  trans-143147.3174.8-65.10000106.1T99 I126T99-V685 HydrophobicContact CG2-CG2 3.94Å; I126-V685 HydrophobicContact CD1-CB 3.65Å; I126-V685 HydrophobicContact CD1-CG1 4.33Å; I126-V685 HydrophobicContact CD1-CG2 4Å; I126-V685 HydrophobicContact CG1-CB 3.91Å; I126-V685 HydrophobicContact CG1-CG1 4.03Å; I126-V685 HydrophobicContact CG1-CG2 4.32Å
686E53.3Low75Confident196 Ų19664.5 Ų64.592%0.91632%0.32SS*.  trans-72.30174.8-73.5177.4-176.400112.5I126I126-E686 WeakPolarHBondContact CD1-O 3.36Å

Retrieved 686 of 686 residues in 251.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).