A0A077ZGA1_TRITR Loading...

YycI and Lactamase B and YycH domain containing p rotein

AlphaFold DB , UniProt , Accession A0A077ZGA1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 644 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32Very low42.1Very low249 Ų249136.5 Ų136.5100%1.22775%0.75SS**  0115.40-67.7178.5172.800105.3
2S34.9Very low44.5Very low99 Ų99137.5 Ų137.569%0.69275%0.752SS**  cis-147.6157.410.336.10000107.7E4S2-E4 PolarHBondContact O-N 2.93Å
3A32.2Very low47.4Very low109 Ų109138.9 Ų138.990%0.90174%0.74SS**  trans-59.6114.4171.100000109.7
4E37.5Very low50Low175 Ų175131.9 Ų131.982%0.81870%0.704SS**  trans-106.2123.6172.7-82.7-174.6172.900110.8S2S2-E4 PolarHBondContact O-N 2.93Å
5N35.3Very low52.1Low105 Ų105135.7 Ų135.756%0.56171%0.712SS**  trans-34123.2178.7-160.52.3000114.1L7 V8N5-L7 PolarHBondContact O-N 3.49Å; N5-V8 HydrophobicContact CB-CG2 4.26Å; N5-V8 PolarHBondContact O-N 3.33Å
6P42.1Very low54.4Low129 Ų129134.6 Ų134.684%0.83871%0.707SS**THydrogen-bonded Turntrans-68.97.5-178.127.3-33.3000114.9
7L37.7Very low56.6Low147 Ų147134.5 Ų134.577%0.7770%0.695SS**THydrogen-bonded Turntrans-115.88-174.9-73.1164.6000114.2N5 P9N5-L7 PolarHBondContact O-N 3.49Å; L7-P9 WeakPolarHBondContact O-CD 3.23Å
8V39.6Very low58.4Low99 Ų99129 Ų12960%0.667%0.668SS**SBendtrans-81.5118.8172.6-172.10000108.7N5 R10N5-V8 HydrophobicContact CB-CG2 4.26Å; N5-V8 PolarHBondContact O-N 3.33Å; V8-R10 PolarHBondContact O-N 2.96Å; V8-R10 VanDerWaalsContact O-N 3.08Å
9P47.9Very low60.1Low115 Ų115130.7 Ų130.775%0.74767%0.665SS**  trans-56.6117.7177.1-19.930.4000109.6L7 L11L7-P9 WeakPolarHBondContact O-CD 3.23Å; P9-L11 PolarHBondContact O-N 2.89Å
10R56.5Low61.6Low234 Ų234125.1 Ų125.188%0.88364%0.637SS**  trans-79114174.1-77-173.7174-177-1.1108.6V8 L12V8-R10 PolarHBondContact O-N 2.96Å; V8-R10 VanDerWaalsContact O-N 3.08Å; R10-L12 PolarHBondContact O-N 3.18Å; R10-L12 VanDerWaalsContact O-N 3.13Å
11L67.1Low62.8Low41 Ų41122.8 Ų122.822%0.21562%0.622CS.*  trans-61112.4169.4-163.776.8000109P9 R13 V193 Q194 S195 F196P9-L11 PolarHBondContact O-N 2.89Å; L11-R13 PolarHBondContact O-N 3.34Å; L11-V193 HydrophobicContact CD1-CG1 4.16Å; L11-V193 HydrophobicContact CD2-CG1 4.44Å; L11-Q194 WeakPolarHBondContact CD1-O 3.44Å; L11-S195 VanDerWaalsContact CD1-CA 3.43Å; L11-F196 HydrophobicContact CD1-CD2 4.17Å; L11-F196 HydrophobicContact CD1-CE2 4.39Å; L11-F196 HydrophobicContact CD2-CD2 4.01Å; L11-F196 HydrophobicContact CD2-CE2 3.6Å; L11-F196 HydrophobicContact CG-CD2 4.03Å; L11-F196 HydrophobicContact CG-CE2 4.15Å
12L71.5Confident65.3Low148 Ų148113.3 Ų113.378%0.77557%0.574SS**  trans-77.7122.4176-69.5170.8000108.9R10R10-L12 PolarHBondContact O-N 3.18Å; R10-L12 VanDerWaalsContact O-N 3.13Å
13R81.7Confident67.6Low156 Ų156110.4 Ų110.459%0.58955%0.549SS*.  trans-111.6138.2179.5-71.8-176.1176.2105.5-0.2110.1L11 T176 E180L11-R13 PolarHBondContact O-N 3.34Å; R13-T176 WeakPolarHBondContact CA-OG1 3.4Å; R13-T176 VanDerWaalsContact CB-OG1 3.24Å; R13-T176 WeakPolarHBondContact CB-OG1 3.42Å; R13-E180 IonicContact CZ-OE1 3.46Å; R13-E180 VanDerWaalsContact CZ-OE1 3.3Å; R13-E180 IonicContact NE-OE1 2.85Å; R13-E180 PolarHBondContact NE-OE1 2.94Å; R13-E180 IonicContact NE-OE2 2.87Å; R13-E180 PolarHBondContact NE-OE2 3.14Å; R13-E180 IonicContact NH2-OE1 3.43Å; R13-E180 PolarHBondContact NH2-OE1 3.25Å
14T84.7Confident70Confident40 Ų40106.3 Ų106.325%0.24551%0.513CS..  trans-91.8129.3169.164.90000108.8D16 V18 S175 T176 W218T14-D16 PolarHBondContact OG1-O 3.04Å; T14-V18 HydrophobicContact CG2-CG2 4.1Å; T14-S175 WeakPolarHBondContact OG1-CA 3.2Å; T14-T176 HydrophobicContact CG2-CG2 4.33Å; T14-T176 PolarHBondContact N-OG1 3.08Å; T14-T176 PolarHBondContact O-N 3.35Å; T14-T176 PolarHBondContact O-OG1 3.45Å; T14-T176 PolarHBondContact OG1-N 2.9Å; T14-W218 HydrophobicContact CG2-CH2 3.95Å; T14-W218 HydrophobicContact CG2-CZ2 4.18Å
15K80.8Confident72Confident189 Ų18998.8 Ų98.882%0.82248%0.477SS*.SBendtrans-77.1-38.7175.2-173.5-177.1176.1-170.70111.1
16D88.5Confident73.7Confident118 Ų11896 Ų9663%0.63146%0.462SS*.SBendtrans-108.9160.7-175.9-54.5-55.8000110.2T14T14-D16 PolarHBondContact OG1-O 3.04Å
17R92.9Very high75.5Confident133 Ų13390.4 Ų90.450%0.50243%0.425SS..  trans-63.8149.7170.8-66.6-169.1173.5-172-4.1110.6E172 L173 E178R17-E172 HydrophobicContact CB-CG 3.9Å; R17-E172 WeakPolarHBondContact CD-OE2 3.1Å; R17-E172 IonicContact CZ-OE2 2.81Å; R17-E172 IonicContact NE-OE2 2.88Å; R17-E172 IonicContact NH1-OE2 3.46Å; R17-E172 PolarHBondContact NH1-OE2 3.06Å; R17-L173 CarbonylContact C-O 3.6Å; R17-L173 VanDerWaalsContact CA-O 3.25Å; R17-L173 WeakPolarHBondContact CA-O 3.37Å; R17-L173 WeakPolarHBondContact CB-O 3.5Å; R17-E178 IonicContact CZ-OE1 2.86Å; R17-E178 IonicContact NE-OE1 2.67Å; R17-E178 PolarHBondContact NE-OE1 3.33Å; R17-E178 IonicContact NE-OE2 3.3Å; R17-E178 PolarHBondContact NE-OE2 2.6Å; R17-E178 IonicContact NH2-OE1 2.66Å; R17-E178 PolarHBondContact NH2-OE1 2.71Å
18V89.3Confident77.6Confident36 Ų3685.3 Ų85.322%0.21840%0.4CS..EExtended strand (participates in β ladder)trans-116.1127.4-177.1-176.90000108.7T14 L20 E172 L173 I198T14-V18 HydrophobicContact CG2-CG2 4.1Å; V18-L20 HydrophobicContact CG1-CD1 4.38Å; V18-L20 HydrophobicContact CG1-CG 4.23Å; V18-E172 CarbonylContact O-C 3.49Å; V18-L173 HydrophobicContact CB-CB 4.49Å; V18-L173 PolarHBondContact N-O 3.25Å; V18-L173 WeakPolarHBondContact O-CB 3.16Å; V18-L173 PolarHBondContact O-N 3.22Å; V18-I198 HydrophobicContact CB-CD1 4.27Å; V18-I198 HydrophobicContact CG1-CD1 4.02Å; V18-I198 HydrophobicContact CG2-CD1 4.27Å
19R90.8Very high79.8Confident161 Ų16183.4 Ų83.461%0.60839%0.389SS*.EExtended strand (participates in β ladder)trans-96.8132.3173-70.3-176.6-173.7-179.4-0.1110.2V171 E172R19-V171 WeakPolarHBondContact CA-O 3.46Å; R19-E172 HydrophobicContact CG-CB 3.99Å; R19-E172 HydrophobicContact CG-CG 3.91Å; R19-E172 IonicContact CZ-OE1 3.99Å; R19-E172 VanDerWaalsContact CZ-OE1 3.31Å; R19-E172 IonicContact NE-OE1 3.18Å; R19-E172 PolarHBondContact NE-OE1 3.22Å; R19-E172 IonicContact NH2-OE1 3.09Å; R19-E172 PolarHBondContact NH2-OE1 2.8Å
20L89.2Confident81.7Confident19 Ų1978.9 Ų78.910%0.09936%0.358CS..EExtended strand (participates in β ladder)trans-136.2144.5177.4-77.2166.6000110.1V18 Y126 E170 V171 L173 I198 P216V18-L20 HydrophobicContact CG1-CD1 4.38Å; V18-L20 HydrophobicContact CG1-CG 4.23Å; L20-Y126 HydrophobicContact CD1-CE1 4.47Å; L20-Y126 HydrophobicContact CD2-CD2 4.37Å; L20-Y126 HydrophobicContact CD2-CE2 3.59Å; L20-E170 CarbonylContact O-C 3.46Å; L20-E170 WeakPolarHBondContact O-CA 3.47Å; L20-V171 PolarHBondContact N-O 3.27Å; L20-V171 PolarHBondContact O-N 3.49Å; L20-L173 HydrophobicContact CD1-CD1 3.93Å; L20-I198 HydrophobicContact CD1-CB 4.43Å; L20-I198 HydrophobicContact CD1-CD1 4.34Å; L20-I198 HydrophobicContact CD1-CG2 3.24Å; L20-P216 HydrophobicContact CB-CB 3.64Å; L20-P216 HydrophobicContact CB-CG 3.59Å; L20-P216 HydrophobicContact CD1-CB 4.01Å
21K86.7Confident83.1Confident76 Ų7670.4 Ų70.433%0.3333%0.334SS..EExtended strand (participates in β ladder)trans-69.9140.2176.1-68.4-169.1173.4-156.70110.7Y23 D168 E169 E170 Y200 P216K21-Y23 HydrophobicContact CB-CE1 4.21Å; K21-Y23 HydrophobicContact CB-CE2 4.44Å; K21-D168 IonicContact NZ-OD1 2.73Å; K21-E169 CarbonylContact C-O 3.5Å; K21-E169 WeakPolarHBondContact CA-O 3.17Å; K21-E170 HydrophobicContact CG-CG 4.03Å; K21-Y200 WeakPolarHBondContact O-CE1 3.48Å; K21-Y200 PolarHBondContact O-OH 3.41Å; K21-P216 VanDerWaalsContact O-CG 3.29Å; K21-P216 WeakPolarHBondContact O-CG 3.23Å
22K85.5Confident84.1Confident50 Ų5071.6 Ų71.622%0.21734%0.337CS..  trans-81.3137.2163.6-174.2177.6175.8-170.70108.3E169 V171 L214 T215K22-E169 HydrophobicContact CB-CB 4.17Å; K22-E169 PolarHBondContact N-O 2.6Å; K22-E169 IonicContact NZ-OE2 2.81Å; K22-V171 HydrophobicContact CB-CG2 4.47Å; K22-L214 WeakPolarHBondContact CG-O 3.49Å; K22-T215 WeakPolarHBondContact CE-OG1 3.48Å
23Y83.1Confident84.9Confident39 Ų3966.4 Ų66.415%0.15331%0.313CS..EExtended strand (participates in β ladder)trans-110.3152.8173.1-61-70.1000109.8K21 Y25 V123 E124 Y200 A213 L214K21-Y23 HydrophobicContact CB-CE1 4.21Å; K21-Y23 HydrophobicContact CB-CE2 4.44Å; Y23-Y25 VanDerWaalsContact CB-CE2 3.44Å; Y23-Y25 HydrophobicContact CG-CE2 4.04Å; Y23-V123 HydrophobicContact CD2-CG1 3.77Å; Y23-V123 HydrophobicContact CE2-CG1 3.97Å; Y23-V123 HydrophobicContact CG-CG1 4.49Å; Y23-E124 HydrophobicContact CE2-CB 4.34Å; Y23-E124 HydrophobicContact CE2-CG 3.89Å; Y23-E124 WeakPolarHBondContact OH-CG 3.37Å; Y23-Y200 AromaticContact CD2-CE1 3.77Å; Y23-Y200 HydrophobicContact CD2-CE1 3.77Å; Y23-Y200 HydrophobicContact CD2-CE2 4.14Å; Y23-Y200 AromaticContact CD2-CZ 3.57Å; Y23-Y200 HydrophobicContact CE2-CE1 4.16Å; Y23-Y200 HydrophobicContact CE2-CE2 4.04Å; Y23-Y200 AromaticContact CE2-CZ 3.52Å; Y23-Y200 WeakPolarHBondContact CE2-OH 3.41Å; Y23-A213 CarbonylContact O-C 3.14Å; Y23-A213 WeakPolarHBondContact O-CA 3.21Å; Y23-L214 PolarHBondContact N-O 3.26Å; Y23-L214 PolarHBondContact O-N 3.41Å
24S81Confident85.4Confident23 Ų2360.7 Ų60.716%0.16129%0.293CS..EExtended strand (participates in β ladder)trans-113.7150158.4-67.90000107.3I165 V212S24-I165 WeakPolarHBondContact O-CA 3.33Å; S24-I165 WeakPolarHBondContact O-CB 3.41Å; S24-I165 PolarHBondContact O-N 2.92Å; S24-V212 CarbonylContact C-O 3.49Å; S24-V212 WeakPolarHBondContact CA-O 3.24Å
25Y79.8Confident85.9Confident16 Ų1658.8 Ų58.86%0.06328%0.282CS..EExtended strand (participates in β ladder)trans-134.7147.8178.4-81.5-99.9000110Y23 V123 V161 V163 P164 V212 L214Y23-Y25 VanDerWaalsContact CB-CE2 3.44Å; Y23-Y25 HydrophobicContact CG-CE2 4.04Å; Y25-V123 HydrophobicContact CE1-CG2 4.49Å; Y25-V123 HydrophobicContact CE2-CG1 4.05Å; Y25-V123 HydrophobicContact CE2-CG2 4.2Å; Y25-V123 WeakPolarHBondContact OH-CG1 3.33Å; Y25-V161 HydrophobicContact CD1-CB 3.75Å; Y25-V161 HydrophobicContact CD1-CG1 4.42Å; Y25-V161 HydrophobicContact CE1-CB 4.39Å; Y25-V161 HydrophobicContact CG-CB 3.85Å; Y25-V161 HydrophobicContact CG-CG1 4.01Å; Y25-V163 CarbonylContact C-O 3.59Å; Y25-V163 WeakPolarHBondContact CA-O 3.35Å; Y25-V163 VanDerWaalsContact CD1-C 3.44Å; Y25-V163 WeakPolarHBondContact CD1-O 3.16Å; Y25-P164 HydrophobicContact CD1-CB 4.11Å; Y25-P164 HydrophobicContact CE1-CB 3.56Å; Y25-P164 HydrophobicContact CE1-CG 4.13Å; Y25-P164 HydrophobicContact CE2-CB 4.34Å; Y25-V212 PolarHBondContact N-O 3.35Å; Y25-V212 PolarHBondContact O-N 2.78Å; Y25-L214 HydrophobicContact CD2-CD1 3.48Å; Y25-L214 VanDerWaalsContact CD2-CD1 3.48Å; Y25-L214 HydrophobicContact CD2-CG 3.81Å; Y25-L214 HydrophobicContact CE2-CD1 3.45Å; Y25-L214 VanDerWaalsContact CE2-CD1 3.45Å; Y25-L214 HydrophobicContact CE2-CG 4.2Å; Y25-L214 HydrophobicContact CG-CD1 4.45Å
26I72.2Confident86.4Confident47 Ų4752.1 Ų52.124%0.24125%0.251CS..EExtended strand (participates in β ladder)trans-85.4133.4162.5-53-179.3000108V163 I165 K210 L211I26-V163 HydrophobicContact CB-CB 3.97Å; I26-V163 HydrophobicContact CB-CG1 4.03Å; I26-V163 HydrophobicContact CD1-CG1 4.07Å; I26-V163 HydrophobicContact CG1-CG1 4.15Å; I26-V163 PolarHBondContact N-O 3.41Å; I26-I165 HydrophobicContact CD1-CD1 4.49Å; I26-I165 HydrophobicContact CG1-CD1 3.86Å; I26-I165 HydrophobicContact CG1-CG1 4.17Å; I26-K210 CarbonylContact C-O 3.51Å; I26-K210 WeakPolarHBondContact CA-O 3.25Å; I26-K210 HydrophobicContact CG2-CB 4.2Å; I26-K210 WeakPolarHBondContact CG2-O 3.45Å; I26-L211 HydrophobicContact CG1-CD1 3.98Å
27L80.2Confident86.6Confident11 Ų1150.5 Ų50.56%0.05824%0.243CC..EExtended strand (participates in β ladder)trans-83.6131.3179-60.7-176.6000110.9V161 W202 K210 V212L27-V161 HydrophobicContact CD2-CG1 3.77Å; L27-W202 HydrophobicContact CD1-CZ2 3.75Å; L27-W202 HydrophobicContact CD2-CH2 3.48Å; L27-W202 VanDerWaalsContact CD2-CH2 3.48Å; L27-W202 HydrophobicContact CD2-CZ2 3.09Å; L27-W202 HydrophobicContact CG-CZ2 4.04Å; L27-K210 HydrophobicContact CB-CB 4.36Å; L27-K210 PolarHBondContact N-O 3.24Å; L27-V212 HydrophobicContact CD1-CB 4.44Å; L27-V212 HydrophobicContact CD2-CB 3.94Å; L27-V212 HydrophobicContact CD2-CG1 3.47Å; L27-V212 VanDerWaalsContact CD2-CG1 3.47Å; L27-V212 HydrophobicContact CG-CB 4.26Å; L27-V212 HydrophobicContact CG-CG1 4.17Å
28T80.3Confident86.6Confident41 Ų4144.3 Ų44.325%0.25222%0.22SC..EExtended strand (participates in β ladder)trans-105.6128.8169.6-32.70000109T160 Q162T28-T160 PolarHBondContact N-O 3.42Å; T28-T160 PolarHBondContact O-N 3.16Å; T28-Q162 PolarHBondContact OG1-OE1 2.87Å
29T87Confident86.9Confident58 Ų5842.6 Ų42.636%0.35621%0.209SC..EExtended strand (participates in β ladder)trans-86.6122.8172.3-53.10000109R72 M158T29-R72 PolarHBondContact OG1-NH1 2.99Å; T29-R72 PolarHBondContact OG1-NH2 2.92Å; T29-M158 HydrophobicContact CG2-CB 4.25Å; T29-M158 HydrophobicContact CG2-CE 3.84Å
30Q87.3Confident87.1Confident21 Ų2135 Ų3510%0.09818%0.181CC..PPolyproline II helixtrans-79.7142.4175.2-60-52.3-55.700111.2L34 F35 A103 V104 M158 T160Q30-L34 HydrophobicContact CB-CD2 3.79Å; Q30-L34 HydrophobicContact CG-CD2 3.92Å; Q30-F35 HydrophobicContact CB-CE2 3.61Å; Q30-F35 HydrophobicContact CB-CZ 3.7Å; Q30-F35 HydrophobicContact CG-CZ 4.38Å; Q30-A103 PolarHBondContact NE2-O 3.11Å; Q30-A103 PolarHBondContact OE1-O 3.05Å; Q30-V104 HydrophobicContact CG-CG1 4.28Å; Q30-M158 PolarHBondContact N-O 3.44Å; Q30-T160 HydrophobicContact CG-CG2 4.03Å
31S86.6Confident87.2Confident56 Ų5637.7 Ų37.739%0.39219%0.193SC..PPolyproline II helixtrans-73.4157-179.766.90000111.7S33 L34 F35S31-S33 WeakPolarHBondContact CB-OG 3.22Å; S31-S33 PolarHBondContact O-N 2.96Å; S31-S33 PolarHBondContact OG-OG 3.02Å; S31-L34 WeakPolarHBondContact O-CB 2.98Å; S31-L34 PolarHBondContact O-N 2.95Å; S31-L34 PolarHBondContact OG-N 3.05Å; S31-F35 VanDerWaalsContact O-CD2 3.22Å; S31-F35 WeakPolarHBondContact O-CD2 3.45Å
32Y87.6Confident87.4Confident66 Ų6638.4 Ų38.426%0.25920%0.2SC..Hα-helixtrans-60.8-31.6170.577-91.2000112.3L34 F35 R36 F58 M67 R244Y32-L34 VanDerWaalsContact C-N 3.28Å; Y32-L34 PolarHBondContact O-N 3.39Å; Y32-F35 PolarHBondContact O-N 3.33Å; Y32-R36 VanDerWaalsContact O-CB 3.25Å; Y32-R36 WeakPolarHBondContact O-CB 3.43Å; Y32-R36 PolarHBondContact O-N 3.22Å; Y32-F58 HydrophobicContact CD1-CZ 4.13Å; Y32-F58 HydrophobicContact CD2-CD1 4.26Å; Y32-F58 AromaticContact CD2-CE1 3.3Å; Y32-F58 HydrophobicContact CD2-CE1 3.3Å; Y32-F58 AromaticContact CD2-CE2 3.86Å; Y32-F58 HydrophobicContact CD2-CE2 3.86Å; Y32-F58 AromaticContact CD2-CZ 3.08Å; Y32-F58 HydrophobicContact CD2-CZ 3.08Å; Y32-F58 AromaticContact CE2-CE1 3.49Å; Y32-F58 HydrophobicContact CE2-CE1 3.49Å; Y32-F58 VanDerWaalsContact CE2-CE1 3.49Å; Y32-F58 AromaticContact CE2-CZ 3.67Å; Y32-F58 HydrophobicContact CE2-CZ 3.67Å; Y32-F58 HydrophobicContact CG-CE1 4.06Å; Y32-F58 AromaticContact CG-CE2 3.93Å; Y32-F58 HydrophobicContact CG-CE2 3.93Å; Y32-F58 AromaticContact CG-CZ 3.35Å; Y32-F58 HydrophobicContact CG-CZ 3.35Å; Y32-M67 WeakPolarHBondContact CA-SD 3.48Å; Y32-M67 WeakPolarHBondContact CB-SD 3.47Å; Y32-R244 PolarHBondContact OH-NH2 3.04Å
33S88.2Confident87.6Confident39 Ų3937.2 Ų37.227%0.27320%0.198SC..Hα-helixtrans-62.4-36.9-179.243.70000111.6S31 N37S31-S33 WeakPolarHBondContact CB-OG 3.22Å; S31-S33 PolarHBondContact O-N 2.96Å; S31-S33 PolarHBondContact OG-OG 3.02Å; S33-N37 VanDerWaalsContact O-CB 3.23Å; S33-N37 WeakPolarHBondContact O-CB 3.46Å; S33-N37 PolarHBondContact O-N 3.09Å; S33-N37 PolarHBondContact O-ND2 2.96Å; S33-N37 PolarHBondContact O-OD1 2.87Å
34L91.4Very high87.9Confident35 Ų3542.6 Ų42.618%0.18323%0.229CC..Hα-helixtrans-57.6-55.5172.5178.872000111.1Q30 S31 Y32 R36 N37 A38 L100 A103 V104Q30-L34 HydrophobicContact CB-CD2 3.79Å; Q30-L34 HydrophobicContact CG-CD2 3.92Å; S31-L34 WeakPolarHBondContact O-CB 2.98Å; S31-L34 PolarHBondContact O-N 2.95Å; S31-L34 PolarHBondContact OG-N 3.05Å; Y32-L34 VanDerWaalsContact C-N 3.28Å; Y32-L34 PolarHBondContact O-N 3.39Å; L34-R36 PolarHBondContact O-N 3.13Å; L34-N37 PolarHBondContact O-N 3.34Å; L34-A38 VanDerWaalsContact O-CB 3.27Å; L34-A38 WeakPolarHBondContact O-CB 3.46Å; L34-A38 PolarHBondContact O-N 3.38Å; L34-L100 HydrophobicContact CD2-CD2 4.33Å; L34-L100 HydrophobicContact CG-CD2 4.09Å; L34-A103 HydrophobicContact CD1-CB 3.76Å; L34-A103 HydrophobicContact CD2-CB 3.65Å; L34-A103 HydrophobicContact CG-CB 4.37Å; L34-V104 HydrophobicContact CD2-CG1 3.93Å
35F94.7Very high88.3Confident0 Ų047.6 Ų47.60%025%0.25CS..Hα-helixtrans-67.2-38.2-177.1-60.8-67.4000112.1Q30 S31 Y32 A38 F39 L65 M67 V74 L100 V104 T156Q30-F35 HydrophobicContact CB-CE2 3.61Å; Q30-F35 HydrophobicContact CB-CZ 3.7Å; Q30-F35 HydrophobicContact CG-CZ 4.38Å; S31-F35 VanDerWaalsContact O-CD2 3.22Å; S31-F35 WeakPolarHBondContact O-CD2 3.45Å; Y32-F35 PolarHBondContact O-N 3.33Å; F35-A38 PolarHBondContact O-N 3.35Å; F35-F39 HydrophobicContact CB-CD2 4.09Å; F35-F39 HydrophobicContact CB-CE2 4Å; F35-F39 AromaticContact CD1-CE2 3.62Å; F35-F39 HydrophobicContact CD1-CE2 3.62Å; F35-F39 AromaticContact CD1-CZ 3.8Å; F35-F39 HydrophobicContact CD1-CZ 3.8Å; F35-F39 HydrophobicContact CG-CE2 4.23Å; F35-F39 VanDerWaalsContact O-CB 3.25Å; F35-F39 WeakPolarHBondContact O-CB 3.48Å; F35-F39 WeakPolarHBondContact O-CD2 3.45Å; F35-F39 VanDerWaalsContact O-CG 3.27Å; F35-F39 WeakPolarHBondContact O-CG 3.07Å; F35-F39 PolarHBondContact O-N 2.87Å; F35-L65 HydrophobicContact CB-CD1 4.14Å; F35-L65 HydrophobicContact CB-CD2 3.91Å; F35-M67 HydrophobicContact CD2-CE 3.66Å; F35-M67 HydrophobicContact CD2-SD 4.19Å; F35-M67 HydrophobicContact CE2-CE 3.86Å; F35-V74 HydrophobicContact CB-CG1 4.21Å; F35-V74 HydrophobicContact CD1-CG1 4.14Å; F35-V74 HydrophobicContact CD2-CG1 4.27Å; F35-V74 HydrophobicContact CD2-CG2 3.9Å; F35-V74 HydrophobicContact CE1-CG2 4.32Å; F35-V74 HydrophobicContact CE2-CG2 3.67Å; F35-V74 HydrophobicContact CG-CG1 3.95Å; F35-V74 HydrophobicContact CG-CG2 4.33Å; F35-V74 HydrophobicContact CZ-CG2 3.88Å; F35-L100 HydrophobicContact CD1-CD2 3.78Å; F35-L100 HydrophobicContact CE1-CD2 4.13Å; F35-V104 HydrophobicContact CE1-CG1 3.99Å; F35-V104 HydrophobicContact CZ-CG1 4.35Å; F35-T156 HydrophobicContact CD1-CG2 4.17Å; F35-T156 HydrophobicContact CE1-CG2 3.64Å; F35-T156 HydrophobicContact CZ-CG2 4.36Å
36R93.1Very high88.7Confident49 Ų4947.3 Ų47.319%0.18525%0.251CS..Hα-helixtrans-60.6-51.4176.4-176.6-164.566.9-179.8-0.2110.6Y32 L34 A38 F39 F40 P43 A46 L65Y32-R36 VanDerWaalsContact O-CB 3.25Å; Y32-R36 WeakPolarHBondContact O-CB 3.43Å; Y32-R36 PolarHBondContact O-N 3.22Å; L34-R36 PolarHBondContact O-N 3.13Å; R36-A38 VanDerWaalsContact C-N 3.26Å; R36-A38 PolarHBondContact O-N 3.33Å; R36-F39 PolarHBondContact O-N 3.39Å; R36-F40 HydrophobicContact CB-CD2 4.25Å; R36-F40 HydrophobicContact CG-CD2 3.67Å; R36-F40 HydrophobicContact CG-CE2 4.05Å; R36-F40 WeakPolarHBondContact O-CB 3.45Å; R36-F40 WeakPolarHBondContact O-CD2 3.12Å; R36-F40 PolarHBondContact O-N 2.77Å; R36-F40 VanDerWaalsContact O-N 3.08Å; R36-P43 WeakPolarHBondContact CD-O 3.49Å; R36-P43 HydrophobicContact CG-CB 4.27Å; R36-A46 HydrophobicContact CG-CB 3.9Å; R36-L65 HydrophobicContact CB-CD2 4.27Å
37N91.7Very high89.4Confident85 Ų8554.9 Ų54.946%0.45528%0.277SS..Hα-helixtrans-66.5-31.6-178.9-65.3-4.3000111.7S33 L34S33-N37 VanDerWaalsContact O-CB 3.23Å; S33-N37 WeakPolarHBondContact O-CB 3.46Å; S33-N37 PolarHBondContact O-N 3.09Å; S33-N37 PolarHBondContact O-ND2 2.96Å; S33-N37 PolarHBondContact O-OD1 2.87Å; L34-N37 PolarHBondContact O-N 3.34Å
38A92.8Very high89.7Confident2 Ų255.1 Ų55.12%0.01728%0.282CS..Hα-helixtrans-77.6-38.4177.800000113.4L34 F35 R36 R99 L100L34-A38 VanDerWaalsContact O-CB 3.27Å; L34-A38 WeakPolarHBondContact O-CB 3.46Å; L34-A38 PolarHBondContact O-N 3.38Å; F35-A38 PolarHBondContact O-N 3.35Å; R36-A38 VanDerWaalsContact C-N 3.26Å; R36-A38 PolarHBondContact O-N 3.33Å; A38-R99 HydrophobicContact CB-CB 3.88Å; A38-R99 WeakPolarHBondContact O-CD 3.49Å; A38-L100 HydrophobicContact CB-CD2 3.46Å; A38-L100 VanDerWaalsContact CB-CD2 3.46Å; A38-L100 HydrophobicContact CB-CG 3.87Å
39F95.6Very high89.7Confident0 Ų060.3 Ų60.30%030%0.303CS..Hα-helixtrans-102.1-35.9-166-58-21.1000115F35 R36 L65 V74 F76 Y96 L100 M137 I154 T156F35-F39 HydrophobicContact CB-CD2 4.09Å; F35-F39 HydrophobicContact CB-CE2 4Å; F35-F39 AromaticContact CD1-CE2 3.62Å; F35-F39 HydrophobicContact CD1-CE2 3.62Å; F35-F39 AromaticContact CD1-CZ 3.8Å; F35-F39 HydrophobicContact CD1-CZ 3.8Å; F35-F39 HydrophobicContact CG-CE2 4.23Å; F35-F39 VanDerWaalsContact O-CB 3.25Å; F35-F39 WeakPolarHBondContact O-CB 3.48Å; F35-F39 WeakPolarHBondContact O-CD2 3.45Å; F35-F39 VanDerWaalsContact O-CG 3.27Å; F35-F39 WeakPolarHBondContact O-CG 3.07Å; F35-F39 PolarHBondContact O-N 2.87Å; R36-F39 PolarHBondContact O-N 3.39Å; F39-L65 HydrophobicContact CD2-CD1 3.85Å; F39-L65 HydrophobicContact CE2-CD1 4.43Å; F39-V74 HydrophobicContact CE2-CG1 4.28Å; F39-F76 HydrophobicContact CB-CB 4.41Å; F39-F76 HydrophobicContact CB-CD1 4.06Å; F39-F76 HydrophobicContact CB-CD2 3.78Å; F39-F76 HydrophobicContact CB-CE1 4.22Å; F39-F76 HydrophobicContact CB-CE2 3.93Å; F39-F76 HydrophobicContact CB-CG 3.83Å; F39-F76 HydrophobicContact CB-CZ 4.14Å; F39-F76 HydrophobicContact CD2-CB 3.9Å; F39-F76 HydrophobicContact CD2-CG 4.25Å; F39-F76 HydrophobicContact CG-CB 4.48Å; F39-F76 HydrophobicContact CG-CG 4.39Å; F39-F76 WeakPolarHBondContact O-CZ 3.27Å; F39-Y96 HydrophobicContact CB-CD1 4.46Å; F39-Y96 HydrophobicContact CD1-CD1 4.06Å; F39-Y96 WeakPolarHBondContact O-CE1 3.29Å; F39-L100 HydrophobicContact CE1-CD1 3.72Å; F39-L100 HydrophobicContact CE1-CD2 3.78Å; F39-L100 HydrophobicContact CE1-CG 3.81Å; F39-L100 HydrophobicContact CZ-CD1 3.79Å; F39-L100 HydrophobicContact CZ-CD2 3.85Å; F39-L100 HydrophobicContact CZ-CG 4.18Å; F39-M137 HydrophobicContact CE1-CE 3.54Å; F39-M137 HydrophobicContact CZ-CE 3.64Å; F39-I154 HydrophobicContact CD1-CD1 3.86Å; F39-I154 HydrophobicContact CD2-CD1 4.46Å; F39-I154 HydrophobicContact CE1-CD1 4.14Å; F39-I154 HydrophobicContact CE1-CG2 4.42Å; F39-I154 HydrophobicContact CE2-CG2 4.06Å; F39-I154 HydrophobicContact CG-CD1 4.05Å; F39-I154 HydrophobicContact CZ-CG2 3.93Å; F39-T156 HydrophobicContact CE2-CG2 4.46Å; F39-T156 HydrophobicContact CZ-CG2 4.41Å
40F95Very high89.1Confident1 Ų158.2 Ų58.20%0.00429%0.289CS..  trans-70.4145.8175.8-76.6-86.8000111.1R36 N42 P43 A46 F58 S60 E63 L65 F76R36-F40 HydrophobicContact CB-CD2 4.25Å; R36-F40 HydrophobicContact CG-CD2 3.67Å; R36-F40 HydrophobicContact CG-CE2 4.05Å; R36-F40 WeakPolarHBondContact O-CB 3.45Å; R36-F40 WeakPolarHBondContact O-CD2 3.12Å; R36-F40 PolarHBondContact O-N 2.77Å; R36-F40 VanDerWaalsContact O-N 3.08Å; F40-N42 VanDerWaalsContact C-N 3.32Å; F40-P43 HydrophobicContact CB-CB 4.42Å; F40-P43 HydrophobicContact CB-CG 4.22Å; F40-A46 HydrophobicContact CD1-CB 3.85Å; F40-A46 HydrophobicContact CD2-CB 3.77Å; F40-A46 HydrophobicContact CE1-CB 3.81Å; F40-A46 HydrophobicContact CE2-CB 3.73Å; F40-A46 HydrophobicContact CG-CB 3.83Å; F40-A46 HydrophobicContact CZ-CB 3.76Å; F40-F58 HydrophobicContact CE2-CB 4.03Å; F40-F58 HydrophobicContact CZ-CB 3.98Å; F40-F58 WeakPolarHBondContact CZ-O 3.42Å; F40-S60 VanDerWaalsContact CD1-CB 3.49Å; F40-E63 HydrophobicContact CD1-CB 3.64Å; F40-E63 WeakPolarHBondContact CD1-OE2 3.49Å; F40-E63 HydrophobicContact CE1-CB 3.52Å; F40-L65 HydrophobicContact CE2-CB 3.49Å; F40-L65 VanDerWaalsContact CE2-CB 3.49Å; F40-L65 HydrophobicContact CE2-CD2 4.21Å; F40-L65 HydrophobicContact CE2-CG 4.47Å; F40-L65 HydrophobicContact CZ-CB 3.81Å; F40-F76 HydrophobicContact CD1-CE2 4.1Å; F40-F76 HydrophobicContact CD2-CE2 4.17Å; F40-F76 HydrophobicContact CE1-CE2 4.07Å; F40-F76 HydrophobicContact CE2-CD2 4.45Å; F40-F76 HydrophobicContact CE2-CE2 4.16Å; F40-F76 HydrophobicContact CG-CE2 4.15Å; F40-F76 HydrophobicContact CZ-CE2 4.09Å
41Q91.2Very high88.6Confident76 Ų7661.7 Ų61.736%0.35531%0.305SS..SBendtrans-69.1-36.3168-75.3174.875.700111.5E63 E79 P81Q41-E63 WeakPolarHBondContact CG-OE1 3.4Å; Q41-E63 PolarHBondContact N-OE2 3.11Å; Q41-E63 PolarHBondContact NE2-OE1 2.83Å; Q41-E79 PolarHBondContact NE2-O 3.46Å; Q41-P81 HydrophobicContact CG-CG 3.79Å
42N91.4Very high87.6Confident91 Ų9166.2 Ų66.249%0.48732%0.32SS..SBendtrans-127.478.5177.1-60.5-64.7000110.2F40 D44 Q45F40-N42 VanDerWaalsContact C-N 3.32Å; N42-D44 PolarHBondContact O-N 2.87Å; N42-D44 VanDerWaalsContact O-N 3.15Å; N42-Q45 HydrophobicContact CB-CB 4.27Å; N42-Q45 HydrophobicContact CB-CG 4.23Å; N42-Q45 PolarHBondContact O-N 2.95Å
43P89.8Confident86.9Confident26 Ų2665.6 Ų65.617%0.16933%0.326CS..G310 helixtrans-56-34.1-173.2-25.834.4000114.5R36 F40 Q45 A46R36-P43 WeakPolarHBondContact CD-O 3.49Å; R36-P43 HydrophobicContact CG-CB 4.27Å; F40-P43 HydrophobicContact CB-CB 4.42Å; F40-P43 HydrophobicContact CB-CG 4.22Å; P43-Q45 PolarHBondContact O-N 3.47Å; P43-A46 WeakPolarHBondContact O-CB 3.29Å; P43-A46 PolarHBondContact O-N 3.46Å; P43-A46 VanDerWaalsContact O-N 3.14Å
44D88.8Confident86.2Confident152 Ų15263.8 Ų63.881%0.81331%0.313SS*.G310 helixtrans-69.9-20.4-178.7-56.5-37000112.8N42N42-D44 PolarHBondContact O-N 2.87Å; N42-D44 VanDerWaalsContact O-N 3.15Å
45Q89.8Confident85.8Confident128 Ų12864.7 Ų64.760%0.59832%0.317SS*.G310 helixtrans-91-6.8175.4-62.6-1690.500112.9N42 P43 R47 S60N42-Q45 HydrophobicContact CB-CB 4.27Å; N42-Q45 HydrophobicContact CB-CG 4.23Å; N42-Q45 PolarHBondContact O-N 2.95Å; P43-Q45 PolarHBondContact O-N 3.47Å; Q45-R47 PolarHBondContact O-N 3.08Å; Q45-S60 WeakPolarHBondContact CB-OG 3.49Å; Q45-S60 PolarHBondContact O-OG 3.14Å
46A88.6Confident85.5Confident9 Ų967.4 Ų67.47%0.07433%0.327CS..  trans-75.9112.517900000110.5R36 F40 P43 F58 V59R36-A46 HydrophobicContact CG-CB 3.9Å; F40-A46 HydrophobicContact CD1-CB 3.85Å; F40-A46 HydrophobicContact CD2-CB 3.77Å; F40-A46 HydrophobicContact CE1-CB 3.81Å; F40-A46 HydrophobicContact CE2-CB 3.73Å; F40-A46 HydrophobicContact CG-CB 3.83Å; F40-A46 HydrophobicContact CZ-CB 3.76Å; P43-A46 WeakPolarHBondContact O-CB 3.29Å; P43-A46 PolarHBondContact O-N 3.46Å; P43-A46 VanDerWaalsContact O-N 3.14Å; A46-F58 HydrophobicContact CB-CB 4.47Å; A46-V59 WeakPolarHBondContact CA-O 3.37Å
47R87.6Confident85.5Confident207 Ų20765.7 Ų65.778%0.78132%0.323SS*.EExtended strand (participates in β ladder)trans-95.7129.2178.8-64.6-166.8178.5-170.20.5109.8Q45 F58 V59Q45-R47 PolarHBondContact O-N 3.08Å; R47-F58 CarbonylContact O-C 3.57Å; R47-F58 WeakPolarHBondContact O-CA 3.47Å; R47-V59 PolarHBondContact N-O 3Å; R47-V59 PolarHBondContact O-N 3.38Å
48G85.3Confident85.6Confident16 Ų1661.7 Ų61.717%0.16530%0.302CS..EExtended strand (participates in β ladder)trans-91.8131.3179.700000112S57 R244G48-S57 CarbonylContact C-O 3.6Å; G48-S57 WeakPolarHBondContact CA-O 3.44Å; G48-R244 WeakPolarHBondContact O-CD 3.35Å
49E80Confident85.6Confident149 Ų14964.9 Ų64.970%0.69632%0.321SS*.EExtended strand (participates in β ladder)trans-112.8150.4161.2-75.1-178.1-175.300108.5S57E49-S57 PolarHBondContact N-O 3.27Å; E49-S57 PolarHBondContact O-N 3.16Å
50E75.3Confident85.4Confident14 Ų1465.5 Ų65.57%0.06533%0.325CS..EExtended strand (participates in β ladder)trans-141.6128.4-170.9-170.5-172.4141.100106.5M55 R56 N242 Q243 R244E50-M55 WeakPolarHBondContact CA-O 3.41Å; E50-R56 HydrophobicContact CB-CG 4.21Å; E50-R56 HydrophobicContact CG-CB 4.5Å; E50-R56 HydrophobicContact CG-CG 3.41Å; E50-R56 VanDerWaalsContact CG-CG 3.41Å; E50-R56 IonicContact OE1-CZ 3.31Å; E50-R56 IonicContact OE1-NE 3.9Å; E50-R56 PolarHBondContact OE1-NE 3.06Å; E50-R56 IonicContact OE1-NH2 2.84Å; E50-R56 PolarHBondContact OE1-NH2 3.13Å; E50-R56 IonicContact OE2-CZ 3.67Å; E50-R56 IonicContact OE2-NE 3.98Å; E50-R56 PolarHBondContact OE2-NE 3.33Å; E50-R56 IonicContact OE2-NH2 3.86Å; E50-R56 PolarHBondContact OE2-NH2 3.25Å; E50-N242 CarbonylContact C-O 3.53Å; E50-N242 VanDerWaalsContact CD-C 3.49Å; E50-N242 VanDerWaalsContact CD-CB 3.45Å; E50-N242 HydrophobicContact CG-CB 3.57Å; E50-N242 WeakPolarHBondContact CG-O 3.2Å; E50-N242 WeakPolarHBondContact OE1-CA 3.45Å; E50-N242 WeakPolarHBondContact OE1-CB 3.09Å; E50-N242 PolarHBondContact OE1-OD1 2.96Å; E50-N242 VanDerWaalsContact OE1-OD1 3.12Å; E50-Q243 VanDerWaalsContact O-CA 3.27Å; E50-Q243 WeakPolarHBondContact O-CA 3.42Å; E50-Q243 VanDerWaalsContact O-CG 3.25Å; E50-Q243 WeakPolarHBondContact O-CG 3.48Å; E50-Q243 PolarHBondContact O-NE2 3.35Å; E50-Q243 PolarHBondContact OE1-N 2.98Å; E50-R244 HydrophobicContact CB-CB 3.84Å; E50-R244 HydrophobicContact CB-CG 3.99Å; E50-R244 IonicContact OE2-NE 2.85Å
51E75.4Confident85.1Confident95 Ų9568.8 Ų68.844%0.44436%0.359SS..EExtended strand (participates in β ladder)trans-103.8140.9-170.7-66.8-175.7-178.400111.6S53 G54 M55 N242E51-S53 WeakPolarHBondContact CB-OG 3.41Å; E51-S53 PolarHBondContact O-N 3.07Å; E51-S53 PolarHBondContact OE2-OG 2.91Å; E51-G54 PolarHBondContact O-N 3.06Å; E51-M55 HydrophobicContact CB-CB 4.43Å; E51-M55 PolarHBondContact N-O 2.89Å; E51-N242 CarbonylContact C-O 3.49Å; E51-N242 PolarHBondContact N-O 2.99Å; E51-N242 VanDerWaalsContact N-O 3.16Å
52E67.2Low85Confident150 Ų15072 Ų7270%0.70137%0.374SS*.THydrogen-bonded Turntrans-46.2-23176.2-73.7-172.5157.300114.2G54 S241 Q243E52-G54 VanDerWaalsContact C-N 3.31Å; E52-G54 PolarHBondContact O-N 3.46Å; E52-S241 VanDerWaalsContact O-CB 3.29Å; E52-S241 WeakPolarHBondContact O-CB 3.44Å; E52-S241 PolarHBondContact O-OG 3.42Å; E52-Q243 HydrophobicContact CG-CG 4.06Å
53S72.3Confident85.1Confident54 Ų5468.2 Ų68.238%0.37835%0.353SS..THydrogen-bonded Turntrans-67.2-18.1174.869.50000115.9E51 M55 Q70E51-S53 WeakPolarHBondContact CB-OG 3.41Å; E51-S53 PolarHBondContact O-N 3.07Å; E51-S53 PolarHBondContact OE2-OG 2.91Å; S53-M55 WeakPolarHBondContact OG-CB 3.49Å; S53-M55 PolarHBondContact OG-N 3.27Å; S53-Q70 PolarHBondContact O-NE2 2.81Å
54G72.8Confident85.4Confident0 Ų070.5 Ų70.50%036%0.361CS..THydrogen-bonded Turntrans97.711.8-17600000114.7E51 E52 E69 S240 S241E51-G54 PolarHBondContact O-N 3.06Å; E52-G54 VanDerWaalsContact C-N 3.31Å; E52-G54 PolarHBondContact O-N 3.46Å; G54-E69 WeakPolarHBondContact O-CB 3.13Å; G54-E69 PolarHBondContact O-N 3.02Å; G54-E69 VanDerWaalsContact O-N 3.15Å; G54-S240 WeakPolarHBondContact CA-OG 3.32Å; G54-S240 PolarHBondContact O-OG 2.8Å; G54-S241 VanDerWaalsContact N-CA 3.28Å
55M84.2Confident85.8Confident55 Ų5563.2 Ų63.227%0.27132%0.323SS..EExtended strand (participates in β ladder)trans-95122.7176.9-146.4167.779.500109.2E50 E51 S53 V66 M67 D68E50-M55 WeakPolarHBondContact CA-O 3.41Å; E51-M55 HydrophobicContact CB-CB 4.43Å; E51-M55 PolarHBondContact N-O 2.89Å; S53-M55 WeakPolarHBondContact OG-CB 3.49Å; S53-M55 PolarHBondContact OG-N 3.27Å; M55-V66 HydrophobicContact CE-CG1 3.79Å; M55-V66 HydrophobicContact CG-CG1 3.42Å; M55-V66 VanDerWaalsContact CG-CG1 3.42Å; M55-V66 HydrophobicContact SD-CG1 3.6Å; M55-M67 WeakPolarHBondContact CA-O 3.23Å; M55-D68 HydrophobicContact CG-CB 4.4Å
56R88.7Confident86.1Confident56 Ų5658 Ų5821%0.21130%0.3CS..EExtended strand (participates in β ladder)trans-101.8106.4174.8-92175.9170.5156.24108.1E50 F58 V66 M67 E69 N242E50-R56 HydrophobicContact CB-CG 4.21Å; E50-R56 HydrophobicContact CG-CB 4.5Å; E50-R56 HydrophobicContact CG-CG 3.41Å; E50-R56 VanDerWaalsContact CG-CG 3.41Å; E50-R56 IonicContact OE1-CZ 3.31Å; E50-R56 IonicContact OE1-NE 3.9Å; E50-R56 PolarHBondContact OE1-NE 3.06Å; E50-R56 IonicContact OE1-NH2 2.84Å; E50-R56 PolarHBondContact OE1-NH2 3.13Å; E50-R56 IonicContact OE2-CZ 3.67Å; E50-R56 IonicContact OE2-NE 3.98Å; E50-R56 PolarHBondContact OE2-NE 3.33Å; E50-R56 IonicContact OE2-NH2 3.86Å; E50-R56 PolarHBondContact OE2-NH2 3.25Å; R56-F58 HydrophobicContact CB-CE2 4.05Å; R56-V66 CarbonylContact O-C 3.42Å; R56-V66 WeakPolarHBondContact O-CA 3.49Å; R56-M67 HydrophobicContact CB-CB 3.96Å; R56-M67 PolarHBondContact N-O 3.01Å; R56-M67 PolarHBondContact O-N 3.24Å; R56-E69 IonicContact CZ-OE1 3.88Å; R56-E69 IonicContact NE-OE1 2.98Å; R56-E69 IonicContact NH1-OE1 2.84Å; R56-E69 PolarHBondContact NH1-OE1 2.95Å; R56-N242 PolarHBondContact NH1-ND2 3.27Å; R56-N242 VanDerWaalsContact NH1-ND2 3.14Å; R56-N242 VanDerWaalsContact NH2-CG 3.27Å; R56-N242 PolarHBondContact NH2-ND2 3.42Å
57S92.1Very high86.3Confident14 Ų1457.7 Ų57.710%0.09830%0.297CS..EExtended strand (participates in β ladder)trans-99.9140172.4-171.80000110G48 E49 E64 L65G48-S57 CarbonylContact C-O 3.6Å; G48-S57 WeakPolarHBondContact CA-O 3.44Å; E49-S57 PolarHBondContact N-O 3.27Å; E49-S57 PolarHBondContact O-N 3.16Å; S57-E64 WeakPolarHBondContact OG-CG 3.23Å; S57-E64 PolarHBondContact OG-OE1 3.36Å; S57-L65 CarbonylContact C-O 3.59Å; S57-L65 VanDerWaalsContact CA-O 3.27Å; S57-L65 WeakPolarHBondContact CA-O 3.44Å
58F93.5Very high86.5Confident1 Ų148.6 Ų48.60%0.00426%0.264CS..EExtended strand (participates in β ladder)trans-122.7135.1168.7-58-104.7000107.7Y32 F40 A46 R47 R56 E64 L65 R244Y32-F58 HydrophobicContact CD1-CZ 4.13Å; Y32-F58 HydrophobicContact CD2-CD1 4.26Å; Y32-F58 AromaticContact CD2-CE1 3.3Å; Y32-F58 HydrophobicContact CD2-CE1 3.3Å; Y32-F58 AromaticContact CD2-CE2 3.86Å; Y32-F58 HydrophobicContact CD2-CE2 3.86Å; Y32-F58 AromaticContact CD2-CZ 3.08Å; Y32-F58 HydrophobicContact CD2-CZ 3.08Å; Y32-F58 AromaticContact CE2-CE1 3.49Å; Y32-F58 HydrophobicContact CE2-CE1 3.49Å; Y32-F58 VanDerWaalsContact CE2-CE1 3.49Å; Y32-F58 AromaticContact CE2-CZ 3.67Å; Y32-F58 HydrophobicContact CE2-CZ 3.67Å; Y32-F58 HydrophobicContact CG-CE1 4.06Å; Y32-F58 AromaticContact CG-CE2 3.93Å; Y32-F58 HydrophobicContact CG-CE2 3.93Å; Y32-F58 AromaticContact CG-CZ 3.35Å; Y32-F58 HydrophobicContact CG-CZ 3.35Å; F40-F58 HydrophobicContact CE2-CB 4.03Å; F40-F58 HydrophobicContact CZ-CB 3.98Å; F40-F58 WeakPolarHBondContact CZ-O 3.42Å; A46-F58 HydrophobicContact CB-CB 4.47Å; R47-F58 CarbonylContact O-C 3.57Å; R47-F58 WeakPolarHBondContact O-CA 3.47Å; R56-F58 HydrophobicContact CB-CE2 4.05Å; F58-E64 CarbonylContact O-C 3.58Å; F58-E64 WeakPolarHBondContact O-CA 3.09Å; F58-L65 HydrophobicContact CB-CB 4.19Å; F58-L65 HydrophobicContact CD2-CB 4.47Å; F58-L65 HydrophobicContact CD2-CD2 4.06Å; F58-L65 HydrophobicContact CD2-CG 4.45Å; F58-L65 PolarHBondContact N-O 2.8Å; F58-L65 PolarHBondContact O-N 2.71Å; F58-R244 VanDerWaalsContact CE1-NH1 3.29Å
59V93.4Very high86.4Confident69 Ų6949.5 Ų49.542%0.41826%0.263SS..EExtended strand (participates in β ladder)trans-127136.6-178.9-178.10000109.9A46 R47 E63 E64A46-V59 WeakPolarHBondContact CA-O 3.37Å; R47-V59 PolarHBondContact N-O 3Å; R47-V59 PolarHBondContact O-N 3.38Å; V59-E63 CarbonylContact C-O 3.51Å; V59-E63 WeakPolarHBondContact CA-O 3.15Å; V59-E64 HydrophobicContact CG2-CB 4.38Å; V59-E64 HydrophobicContact CG2-CG 4.06Å
60S91.7Very high86.5Confident13 Ų1345.5 Ų45.59%0.09125%0.245CC..EExtended strand (participates in β ladder)trans-140.9104.7169.4-159.50000109.5F40 Q45 H62 E63F40-S60 VanDerWaalsContact CD1-CB 3.49Å; Q45-S60 WeakPolarHBondContact CB-OG 3.49Å; Q45-S60 PolarHBondContact O-OG 3.14Å; S60-H62 PolarHBondContact O-N 3.3Å; S60-H62 VanDerWaalsContact O-N 3.08Å; S60-E63 PolarHBondContact N-O 3.31Å; S60-E63 WeakPolarHBondContact O-CB 3.29Å; S60-E63 PolarHBondContact O-N 3.16Å
61G88.1Confident87Confident70 Ų7051 Ų5172%0.72227%0.268SS*.THydrogen-bonded Turntrans61.5-111.7-176.900000112.4
62H89.3Confident87.6Confident144 Ų14449.2 Ų49.267%0.66726%0.258SS*.THydrogen-bonded Turntrans-100.35.9177.1-57.8-48.4000113.2S60 E79S60-H62 PolarHBondContact O-N 3.3Å; S60-H62 VanDerWaalsContact O-N 3.08Å; H62-E79 HydrophobicContact CB-CG 4.31Å; H62-E79 IonicContact CD2-OE1 3.58Å; H62-E79 IonicContact CG-OE1 3.85Å
63E94.4Very high88.9Confident11 Ų1143.5 Ų43.55%0.05123%0.232CC..EExtended strand (participates in β ladder)trans-100.4137.6177.1-55.9-174.2133.100110.1F40 Q41 V59 S60 F76 N77F40-E63 HydrophobicContact CD1-CB 3.64Å; F40-E63 WeakPolarHBondContact CD1-OE2 3.49Å; F40-E63 HydrophobicContact CE1-CB 3.52Å; Q41-E63 WeakPolarHBondContact CG-OE1 3.4Å; Q41-E63 PolarHBondContact N-OE2 3.11Å; Q41-E63 PolarHBondContact NE2-OE1 2.83Å; V59-E63 CarbonylContact C-O 3.51Å; V59-E63 WeakPolarHBondContact CA-O 3.15Å; S60-E63 PolarHBondContact N-O 3.31Å; S60-E63 WeakPolarHBondContact O-CB 3.29Å; S60-E63 PolarHBondContact O-N 3.16Å; E63-F76 HydrophobicContact CB-CE2 3.91Å; E63-F76 HydrophobicContact CB-CZ 3.87Å; E63-F76 HydrophobicContact CG-CZ 4.07Å; E63-N77 CarbonylContact C-O 3.57Å; E63-N77 VanDerWaalsContact CA-O 3.3Å; E63-N77 WeakPolarHBondContact CA-O 3.42Å
64E96Very high90Very high73 Ų7341 Ų4134%0.34121%0.214SC..EExtended strand (participates in β ladder)trans-136.7128.9178.3-178.7-177.7-143.600110.1S57 F58 V59 V66 F76 N77S57-E64 WeakPolarHBondContact OG-CG 3.23Å; S57-E64 PolarHBondContact OG-OE1 3.36Å; F58-E64 CarbonylContact O-C 3.58Å; F58-E64 WeakPolarHBondContact O-CA 3.09Å; V59-E64 HydrophobicContact CG2-CB 4.38Å; V59-E64 HydrophobicContact CG2-CG 4.06Å; E64-V66 HydrophobicContact CG-CG2 3.81Å; E64-F76 CarbonylContact O-C 3.45Å; E64-F76 WeakPolarHBondContact O-CA 3.38Å; E64-F76 WeakPolarHBondContact O-CD2 3.17Å; E64-N77 PolarHBondContact N-O 2.72Å; E64-N77 PolarHBondContact O-N 2.88Å
65L96.7Very high91.1Very high0 Ų042 Ų420%022%0.22CC..EExtended strand (participates in β ladder)trans-112.5113.5170.3178.174.1000109.2F35 R36 F39 F40 S57 F58 M67 V74 T75 F76F35-L65 HydrophobicContact CB-CD1 4.14Å; F35-L65 HydrophobicContact CB-CD2 3.91Å; R36-L65 HydrophobicContact CB-CD2 4.27Å; F39-L65 HydrophobicContact CD2-CD1 3.85Å; F39-L65 HydrophobicContact CE2-CD1 4.43Å; F40-L65 HydrophobicContact CE2-CB 3.49Å; F40-L65 VanDerWaalsContact CE2-CB 3.49Å; F40-L65 HydrophobicContact CE2-CD2 4.21Å; F40-L65 HydrophobicContact CE2-CG 4.47Å; F40-L65 HydrophobicContact CZ-CB 3.81Å; S57-L65 CarbonylContact C-O 3.59Å; S57-L65 VanDerWaalsContact CA-O 3.27Å; S57-L65 WeakPolarHBondContact CA-O 3.44Å; F58-L65 HydrophobicContact CB-CB 4.19Å; F58-L65 HydrophobicContact CD2-CB 4.47Å; F58-L65 HydrophobicContact CD2-CD2 4.06Å; F58-L65 HydrophobicContact CD2-CG 4.45Å; F58-L65 PolarHBondContact N-O 2.8Å; F58-L65 PolarHBondContact O-N 2.71Å; L65-M67 HydrophobicContact CD2-SD 4.49Å; L65-M67 HydrophobicContact CG-CG 4.38Å; L65-V74 HydrophobicContact CD1-CG1 3.48Å; L65-V74 VanDerWaalsContact CD1-CG1 3.48Å; L65-V74 HydrophobicContact CG-CG1 4.45Å; L65-T75 CarbonylContact C-O 3.06Å; L65-T75 WeakPolarHBondContact CA-O 3.44Å; L65-F76 HydrophobicContact CB-CD2 4.02Å; L65-F76 HydrophobicContact CD1-CB 3.87Å; L65-F76 HydrophobicContact CD1-CD2 4.22Å
66V95.6Very high91.8Very high19 Ų1939.4 Ų39.412%0.11521%0.207CC..EExtended strand (participates in β ladder)trans-104.6124174.4-173.20000110M55 R56 E64 V74 T75M55-V66 HydrophobicContact CE-CG1 3.79Å; M55-V66 HydrophobicContact CG-CG1 3.42Å; M55-V66 VanDerWaalsContact CG-CG1 3.42Å; M55-V66 HydrophobicContact SD-CG1 3.6Å; R56-V66 CarbonylContact O-C 3.42Å; R56-V66 WeakPolarHBondContact O-CA 3.49Å; E64-V66 HydrophobicContact CG-CG2 3.81Å; V66-V74 CarbonylContact O-C 3.37Å; V66-V74 WeakPolarHBondContact O-CA 3.42Å; V66-T75 PolarHBondContact N-O 3.36Å; V66-T75 PolarHBondContact O-N 3.39Å
67M92.6Very high92.1Very high2 Ų239.1 Ų39.11%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-112107.6171.7-61.1-175.870.700108.9Y32 F35 M55 R56 L65 E69 L73 V74 M158Y32-M67 WeakPolarHBondContact CA-SD 3.48Å; Y32-M67 WeakPolarHBondContact CB-SD 3.47Å; F35-M67 HydrophobicContact CD2-CE 3.66Å; F35-M67 HydrophobicContact CD2-SD 4.19Å; F35-M67 HydrophobicContact CE2-CE 3.86Å; M55-M67 WeakPolarHBondContact CA-O 3.23Å; R56-M67 HydrophobicContact CB-CB 3.96Å; R56-M67 PolarHBondContact N-O 3.01Å; R56-M67 PolarHBondContact O-N 3.24Å; L65-M67 HydrophobicContact CD2-SD 4.49Å; L65-M67 HydrophobicContact CG-CG 4.38Å; M67-E69 PolarHBondContact O-N 2.76Å; M67-L73 CarbonylContact C-O 3.49Å; M67-L73 WeakPolarHBondContact CA-O 3.49Å; M67-V74 HydrophobicContact CE-CG2 3.86Å; M67-V74 HydrophobicContact CG-CG1 4.16Å; M67-V74 HydrophobicContact CG-CG2 4.09Å; M67-M158 HydrophobicContact CB-SD 4.41Å; M67-M158 HydrophobicContact CE-CE 3.44Å; M67-M158 VanDerWaalsContact CE-CE 3.44Å; M67-M158 HydrophobicContact CE-CG 3.7Å; M67-M158 HydrophobicContact CE-SD 3.83Å
68D91.1Very high92.2Very high16 Ų1638.4 Ų38.49%0.08621%0.205CC..EExtended strand (participates in β ladder)trans-90.699.2173.9-179.2-27.6000107.6M55 Q70 K71 R72 L73M55-D68 HydrophobicContact CG-CB 4.4Å; D68-Q70 PolarHBondContact O-N 2.9Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.4Å; D68-Q70 PolarHBondContact OD1-N 2.81Å; D68-K71 HydrophobicContact CB-CB 4.33Å; D68-K71 PolarHBondContact O-N 3.04Å; D68-K71 PolarHBondContact OD1-N 3.18Å; D68-K71 VanDerWaalsContact OD2-CD 3.3Å; D68-K71 WeakPolarHBondContact OD2-CD 3.19Å; D68-K71 WeakPolarHBondContact OD2-CE 3.32Å; D68-K71 VanDerWaalsContact OD2-CG 3.31Å; D68-K71 WeakPolarHBondContact OD2-CG 3.41Å; D68-K71 IonicContact OD2-NZ 2.61Å; D68-K71 PolarHBondContact OD2-NZ 2.78Å; D68-R72 WeakPolarHBondContact O-CA 3.41Å; D68-R72 PolarHBondContact O-N 3.48Å; D68-L73 HydrophobicContact CB-CB 4.37Å; D68-L73 PolarHBondContact N-O 3.15Å; D68-L73 PolarHBondContact O-N 3.48Å
69E84.1Confident92.1Very high35 Ų3540.4 Ų40.416%0.16422%0.215CC..THydrogen-bonded Turntrans-66.7-24.8-178-75.7179.2-176.300112.1G54 R56 M67 R72 M158 S240 N242G54-E69 WeakPolarHBondContact O-CB 3.13Å; G54-E69 PolarHBondContact O-N 3.02Å; G54-E69 VanDerWaalsContact O-N 3.15Å; R56-E69 IonicContact CZ-OE1 3.88Å; R56-E69 IonicContact NE-OE1 2.98Å; R56-E69 IonicContact NH1-OE1 2.84Å; R56-E69 PolarHBondContact NH1-OE1 2.95Å; M67-E69 PolarHBondContact O-N 2.76Å; E69-R72 VanDerWaalsContact O-CD 3.27Å; E69-R72 WeakPolarHBondContact O-CD 3.3Å; E69-R72 PolarHBondContact O-N 3.24Å; E69-M158 HydrophobicContact CG-CE 3.84Å; E69-M158 HydrophobicContact CG-SD 3.96Å; E69-S240 WeakPolarHBondContact CA-OG 3.45Å; E69-S240 WeakPolarHBondContact CB-OG 3.33Å; E69-N242 PolarHBondContact OE1-ND2 3.28Å; E69-N242 PolarHBondContact OE2-ND2 3.48Å
70Q82.8Confident91.9Very high64 Ų6437.2 Ų37.230%0.29920%0.195SC..THydrogen-bonded Turntrans-70.8-46.5-177.4-43.3-147.9-42.400108.3S53 D68 R72 V238 S240S53-Q70 PolarHBondContact O-NE2 2.81Å; D68-Q70 PolarHBondContact O-N 2.9Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.4Å; D68-Q70 PolarHBondContact OD1-N 2.81Å; Q70-R72 VanDerWaalsContact C-N 3.29Å; Q70-V238 HydrophobicContact CB-CG1 3.53Å; Q70-S240 WeakPolarHBondContact CA-OG 3.36Å; Q70-S240 WeakPolarHBondContact CG-OG 3.42Å; Q70-S240 PolarHBondContact N-OG 2.91Å; Q70-S240 VanDerWaalsContact NE2-N 3.13Å; Q70-S240 PolarHBondContact NE2-O 3.36Å
71K85.8Confident91.8Very high129 Ų12936.9 Ų36.956%0.56119%0.192SC*.THydrogen-bonded Turntrans-83.5-6.5178.1-60.2-168.7-165.2104.70112.7D68 L73D68-K71 HydrophobicContact CB-CB 4.33Å; D68-K71 PolarHBondContact O-N 3.04Å; D68-K71 PolarHBondContact OD1-N 3.18Å; D68-K71 VanDerWaalsContact OD2-CD 3.3Å; D68-K71 WeakPolarHBondContact OD2-CD 3.19Å; D68-K71 WeakPolarHBondContact OD2-CE 3.32Å; D68-K71 VanDerWaalsContact OD2-CG 3.31Å; D68-K71 WeakPolarHBondContact OD2-CG 3.41Å; D68-K71 IonicContact OD2-NZ 2.61Å; D68-K71 PolarHBondContact OD2-NZ 2.78Å; K71-L73 HydrophobicContact CB-CB 3.96Å; K71-L73 PolarHBondContact O-N 3.4Å
72R88.3Confident91.7Very high59 Ų5937.7 Ų37.722%0.22319%0.187CC..THydrogen-bonded Turntrans56.636.5-175.7-49.6-75.4-79.1149.3-7.4111.3T29 D68 E69 Q70 S157 M158 D159T29-R72 PolarHBondContact OG1-NH1 2.99Å; T29-R72 PolarHBondContact OG1-NH2 2.92Å; D68-R72 WeakPolarHBondContact O-CA 3.41Å; D68-R72 PolarHBondContact O-N 3.48Å; E69-R72 VanDerWaalsContact O-CD 3.27Å; E69-R72 WeakPolarHBondContact O-CD 3.3Å; E69-R72 PolarHBondContact O-N 3.24Å; Q70-R72 VanDerWaalsContact C-N 3.29Å; R72-S157 VanDerWaalsContact O-CA 3.3Å; R72-S157 WeakPolarHBondContact O-CA 3.43Å; R72-S157 PolarHBondContact O-OG 2.99Å; R72-M158 PolarHBondContact O-N 3.31Å; R72-D159 IonicContact CZ-OD1 2.8Å; R72-D159 IonicContact CZ-OD2 2.81Å; R72-D159 IonicContact NE-OD1 3.78Å; R72-D159 PolarHBondContact NE-OD1 2.73Å; R72-D159 IonicContact NE-OD2 2.85Å; R72-D159 PolarHBondContact NE-OD2 2.88Å; R72-D159 IonicContact NH1-OD1 3.74Å; R72-D159 PolarHBondContact NH1-OD1 3.49Å; R72-D159 IonicContact NH2-OD1 3.28Å; R72-D159 PolarHBondContact NH2-OD1 3.09Å; R72-D159 IonicContact NH2-OD2 3.17Å; R72-D159 PolarHBondContact NH2-OD2 3.12Å
73L92.8Very high91.6Very high30 Ų3036.5 Ų36.516%0.15719%0.186CC..EExtended strand (participates in β ladder)trans-115.3136.1-167.9-178.465.9000110.2M67 D68 K71 S133 E155 T156M67-L73 CarbonylContact C-O 3.49Å; M67-L73 WeakPolarHBondContact CA-O 3.49Å; D68-L73 HydrophobicContact CB-CB 4.37Å; D68-L73 PolarHBondContact N-O 3.15Å; D68-L73 PolarHBondContact O-N 3.48Å; K71-L73 HydrophobicContact CB-CB 3.96Å; K71-L73 PolarHBondContact O-N 3.4Å; L73-S133 WeakPolarHBondContact CD1-OG 3.43Å; L73-E155 HydrophobicContact CD1-CG 3.47Å; L73-E155 VanDerWaalsContact CD1-CG 3.47Å; L73-E155 HydrophobicContact CG-CG 4.32Å; L73-T156 WeakPolarHBondContact CD1-O 3.44Å
74V95.4Very high91.2Very high0 Ų036.6 Ų36.60%019%0.186CC..EExtended strand (participates in β ladder)trans-114.1123171.7-176.70000107.6F35 F39 L65 V66 M67 E155 T156 M158F35-V74 HydrophobicContact CB-CG1 4.21Å; F35-V74 HydrophobicContact CD1-CG1 4.14Å; F35-V74 HydrophobicContact CD2-CG1 4.27Å; F35-V74 HydrophobicContact CD2-CG2 3.9Å; F35-V74 HydrophobicContact CE1-CG2 4.32Å; F35-V74 HydrophobicContact CE2-CG2 3.67Å; F35-V74 HydrophobicContact CG-CG1 3.95Å; F35-V74 HydrophobicContact CG-CG2 4.33Å; F35-V74 HydrophobicContact CZ-CG2 3.88Å; F39-V74 HydrophobicContact CE2-CG1 4.28Å; L65-V74 HydrophobicContact CD1-CG1 3.48Å; L65-V74 VanDerWaalsContact CD1-CG1 3.48Å; L65-V74 HydrophobicContact CG-CG1 4.45Å; V66-V74 CarbonylContact O-C 3.37Å; V66-V74 WeakPolarHBondContact O-CA 3.42Å; M67-V74 HydrophobicContact CE-CG2 3.86Å; M67-V74 HydrophobicContact CG-CG1 4.16Å; M67-V74 HydrophobicContact CG-CG2 4.09Å; V74-E155 CarbonylContact O-C 3.49Å; V74-E155 VanDerWaalsContact O-CA 3.28Å; V74-E155 WeakPolarHBondContact O-CA 3.26Å; V74-T156 HydrophobicContact CB-CG2 3.83Å; V74-T156 HydrophobicContact CG1-CG2 4.31Å; V74-T156 HydrophobicContact CG2-CG2 4.42Å; V74-T156 PolarHBondContact N-O 3.18Å; V74-T156 PolarHBondContact O-N 2.92Å; V74-M158 HydrophobicContact CG2-CB 4.38Å; V74-M158 HydrophobicContact CG2-CG 3.41Å; V74-M158 VanDerWaalsContact CG2-CG 3.41Å
75T97Very high90.5Very high22 Ų2235.6 Ų35.614%0.13519%0.188CC..EExtended strand (participates in β ladder)trans-118.5131.7172.8-53.60000108.1L65 V66 I154L65-T75 CarbonylContact C-O 3.06Å; L65-T75 WeakPolarHBondContact CA-O 3.44Å; V66-T75 PolarHBondContact N-O 3.36Å; V66-T75 PolarHBondContact O-N 3.39Å; T75-I154 CarbonylContact C-O 3.22Å; T75-I154 VanDerWaalsContact CA-O 3.27Å; T75-I154 WeakPolarHBondContact CA-O 3.32Å
76F97.5Very high89.9Confident0 Ų044.7 Ų44.70%023%0.227CC..EExtended strand (participates in β ladder)trans-121.3134.7169.6173.5-97.8000108.6F39 F40 E63 E64 L65 Y96 I152 K153 I154F39-F76 HydrophobicContact CB-CB 4.41Å; F39-F76 HydrophobicContact CB-CD1 4.06Å; F39-F76 HydrophobicContact CB-CD2 3.78Å; F39-F76 HydrophobicContact CB-CE1 4.22Å; F39-F76 HydrophobicContact CB-CE2 3.93Å; F39-F76 HydrophobicContact CB-CG 3.83Å; F39-F76 HydrophobicContact CB-CZ 4.14Å; F39-F76 HydrophobicContact CD2-CB 3.9Å; F39-F76 HydrophobicContact CD2-CG 4.25Å; F39-F76 HydrophobicContact CG-CB 4.48Å; F39-F76 HydrophobicContact CG-CG 4.39Å; F39-F76 WeakPolarHBondContact O-CZ 3.27Å; F40-F76 HydrophobicContact CD1-CE2 4.1Å; F40-F76 HydrophobicContact CD2-CE2 4.17Å; F40-F76 HydrophobicContact CE1-CE2 4.07Å; F40-F76 HydrophobicContact CE2-CD2 4.45Å; F40-F76 HydrophobicContact CE2-CE2 4.16Å; F40-F76 HydrophobicContact CG-CE2 4.15Å; F40-F76 HydrophobicContact CZ-CE2 4.09Å; E63-F76 HydrophobicContact CB-CE2 3.91Å; E63-F76 HydrophobicContact CB-CZ 3.87Å; E63-F76 HydrophobicContact CG-CZ 4.07Å; E64-F76 CarbonylContact O-C 3.45Å; E64-F76 WeakPolarHBondContact O-CA 3.38Å; E64-F76 WeakPolarHBondContact O-CD2 3.17Å; L65-F76 HydrophobicContact CB-CD2 4.02Å; L65-F76 HydrophobicContact CD1-CB 3.87Å; L65-F76 HydrophobicContact CD1-CD2 4.22Å; F76-Y96 HydrophobicContact CE1-CE1 4.36Å; F76-I152 HydrophobicContact CE1-CG2 4.09Å; F76-K153 CarbonylContact O-C 3.44Å; F76-K153 WeakPolarHBondContact O-CA 3.43Å; F76-I154 HydrophobicContact CB-CB 4.11Å; F76-I154 HydrophobicContact CD1-CD1 3.96Å; F76-I154 HydrophobicContact CD1-CG1 4.18Å; F76-I154 PolarHBondContact N-O 2.51Å; F76-I154 PolarHBondContact O-N 3.06Å
77N96.5Very high89.5Confident50 Ų5048.7 Ų48.727%0.26725%0.245SC..EExtended strand (participates in β ladder)trans-120.1140.3169.3-55.7-71.4000107.2E63 E64 I152 K153E63-N77 CarbonylContact C-O 3.57Å; E63-N77 VanDerWaalsContact CA-O 3.3Å; E63-N77 WeakPolarHBondContact CA-O 3.42Å; E64-N77 PolarHBondContact N-O 2.72Å; E64-N77 PolarHBondContact O-N 2.88Å; N77-I152 CarbonylContact C-O 3.39Å; N77-I152 WeakPolarHBondContact CA-O 3.06Å; N77-K153 WeakPolarHBondContact OD1-CD 3.27Å; N77-K153 WeakPolarHBondContact OD1-CG 3.17Å
78G93.9Very high89.4Confident0 Ų051.2 Ų51.20%026%0.262CS..EExtended strand (participates in β ladder)trans-171.6-168.7178.100000112.6Q151 I152G78-Q151 CarbonylContact O-C 3.48Å; G78-Q151 WeakPolarHBondContact O-CA 3.43Å; G78-Q151 PolarHBondContact O-OE1 3.05Å; G78-I152 PolarHBondContact N-O 3.4Å; G78-I152 PolarHBondContact O-N 2.81Å
79E90.8Very high89.3Confident43 Ų4352.8 Ų52.820%0.20127%0.27CS..EExtended strand (participates in β ladder)trans-103.2137.9174.8-73.2-176.2-179.100110.2Q41 H62 P81 T149 Q151Q41-E79 PolarHBondContact NE2-O 3.46Å; H62-E79 HydrophobicContact CB-CG 4.31Å; H62-E79 IonicContact CD2-OE1 3.58Å; H62-E79 IonicContact CG-OE1 3.85Å; E79-P81 WeakPolarHBondContact O-CD 3.38Å; E79-T149 PolarHBondContact OE2-OG1 3.41Å; E79-Q151 VanDerWaalsContact CG-NE2 3.32Å
80L90.3Very high89.6Confident2 Ų256 Ų561%0.0128%0.282CS..PPolyproline II helixtrans-66.4128.8174.2-170.275.5000109.3S82 L84 Q92 Y96 I141 P150 I152L80-S82 PolarHBondContact O-N 3.45Å; L80-L84 HydrophobicContact CD1-CB 4.25Å; L80-L84 HydrophobicContact CD1-CD1 4.45Å; L80-L84 HydrophobicContact CD2-CB 4.38Å; L80-L84 HydrophobicContact CG-CB 4.12Å; L80-Q92 HydrophobicContact CD1-CB 4.03Å; L80-Q92 HydrophobicContact CD1-CG 4.21Å; L80-Q92 HydrophobicContact CD2-CB 4.47Å; L80-Q92 VanDerWaalsContact CD2-CD 3.42Å; L80-Q92 HydrophobicContact CD2-CG 3.84Å; L80-Y96 HydrophobicContact CD1-CE2 4.22Å; L80-I141 HydrophobicContact CD1-CD1 4.15Å; L80-P150 HydrophobicContact CB-CB 4.37Å; L80-P150 WeakPolarHBondContact CB-O 3.44Å; L80-P150 PolarHBondContact N-O 3.15Å; L80-I152 HydrophobicContact CD1-CD1 4.3Å
81P89.3Confident90Very high5 Ų555.4 Ų55.43%0.03228%0.284CS..PPolyproline II helixtrans-50.7137.3176.2-27.430.9000112Q41 E79 D83 L84 S85 Y96Q41-P81 HydrophobicContact CG-CG 3.79Å; E79-P81 WeakPolarHBondContact O-CD 3.38Å; P81-D83 WeakPolarHBondContact CB-OD1 3.43Å; P81-D83 PolarHBondContact O-N 3.11Å; P81-D83 VanDerWaalsContact O-N 3.16Å; P81-L84 HydrophobicContact CB-CB 4.36Å; P81-L84 HydrophobicContact CB-CD1 4.16Å; P81-L84 HydrophobicContact CB-CG 4.21Å; P81-L84 HydrophobicContact CG-CD1 3.85Å; P81-L84 HydrophobicContact CG-CG 4.44Å; P81-L84 PolarHBondContact O-N 3.26Å; P81-S85 PolarHBondContact O-N 3.34Å; P81-S85 VanDerWaalsContact O-N 3.14Å; P81-Y96 WeakPolarHBondContact CD-OH 3.4Å
82S85.1Confident90.3Very high88 Ų8850 Ų5062%0.61526%0.261SS*.THydrogen-bonded Turntrans-59.5-30.6-174.363.80000113.5L80 S85L80-S82 PolarHBondContact O-N 3.45Å; S82-S85 WeakPolarHBondContact O-CB 3.36Å; S82-S85 PolarHBondContact O-N 3.45Å; S82-S85 PolarHBondContact O-OG 3.35Å
83D86.7Confident90.5Very high118 Ų11847.2 Ų47.263%0.63125%0.25SS*.THydrogen-bonded Turntrans-69.6-33.1174.561.9-47.1000112.6P81P81-D83 WeakPolarHBondContact CB-OD1 3.43Å; P81-D83 PolarHBondContact O-N 3.11Å; P81-D83 VanDerWaalsContact O-N 3.16Å
84L86.7Confident90.4Very high13 Ų1351.5 Ų51.57%0.06827%0.268CS..G310 helixtrans-81.2-16.6176.2-66.4179.1000113.6L80 P81 K86 E87 Q92 N95 Y96L80-L84 HydrophobicContact CD1-CB 4.25Å; L80-L84 HydrophobicContact CD1-CD1 4.45Å; L80-L84 HydrophobicContact CD2-CB 4.38Å; L80-L84 HydrophobicContact CG-CB 4.12Å; P81-L84 HydrophobicContact CB-CB 4.36Å; P81-L84 HydrophobicContact CB-CD1 4.16Å; P81-L84 HydrophobicContact CB-CG 4.21Å; P81-L84 HydrophobicContact CG-CD1 3.85Å; P81-L84 HydrophobicContact CG-CG 4.44Å; P81-L84 PolarHBondContact O-N 3.26Å; L84-K86 PolarHBondContact O-N 3.4Å; L84-E87 HydrophobicContact CD2-CG 4.48Å; L84-E87 WeakPolarHBondContact O-CB 3.46Å; L84-E87 PolarHBondContact O-N 3.19Å; L84-Q92 HydrophobicContact CB-CG 4.34Å; L84-Q92 WeakPolarHBondContact O-CG 3.42Å; L84-Q92 PolarHBondContact O-NE2 2.81Å; L84-N95 HydrophobicContact CD1-CB 3.81Å; L84-N95 HydrophobicContact CD2-CB 4.32Å; L84-Y96 HydrophobicContact CD1-CE2 4.48Å
85S81.9Confident90.2Very high52 Ų5253.5 Ų53.536%0.36428%0.279SS..G310 helixtrans-57.7-24.4-176.268.80000114.8P81 S82P81-S85 PolarHBondContact O-N 3.34Å; P81-S85 VanDerWaalsContact O-N 3.14Å; S82-S85 WeakPolarHBondContact O-CB 3.36Å; S82-S85 PolarHBondContact O-N 3.45Å; S82-S85 PolarHBondContact O-OG 3.35Å
86K83.7Confident90Very high192 Ų19252.5 Ų52.584%0.83527%0.272SS*.G310 helixtrans-92.5-10.9179.4-62.7-179.3-175.61720113.9L84L84-K86 PolarHBondContact O-N 3.4Å
87E88.1Confident89.7Confident103 Ų10353 Ų5348%0.48128%0.276SS..SBendtrans-80.4166-177.3-69.9-62.2148.500111.9L84 Q92L84-E87 HydrophobicContact CD2-CG 4.48Å; L84-E87 WeakPolarHBondContact O-CB 3.46Å; L84-E87 PolarHBondContact O-N 3.19Å; E87-Q92 HydrophobicContact CB-CG 4.16Å; E87-Q92 PolarHBondContact O-NE2 2.83Å
88S89.6Confident89.4Confident54 Ų5453.5 Ų53.538%0.37828%0.283SS..  trans-67.3153.3172.779.40000111.2Y90 S91 Q92S88-Y90 PolarHBondContact O-N 2.83Å; S88-Y90 PolarHBondContact OG-N 2.83Å; S88-S91 WeakPolarHBondContact O-CB 3.47Å; S88-S91 PolarHBondContact O-N 2.85Å; S88-S91 PolarHBondContact OG-N 2.8Å; S88-S91 PolarHBondContact OG-OG 2.92Å; S88-Q92 WeakPolarHBondContact O-CG 2.98Å; S88-Q92 PolarHBondContact O-N 3Å
89I89.4Confident89.3Confident49 Ų4958.6 Ų58.625%0.25130%0.302SS..Hα-helixtrans-53.7-29.3175.3-164.1176.1000113.3S93 G115 I117 I141I89-S93 VanDerWaalsContact O-CB 3.31Å; I89-S93 WeakPolarHBondContact O-CB 3.44Å; I89-S93 PolarHBondContact O-N 2.87Å; I89-S93 PolarHBondContact O-OG 2.72Å; I89-G115 WeakPolarHBondContact CD1-O 3.49Å; I89-I117 HydrophobicContact CD1-CD1 4.27Å; I89-I117 HydrophobicContact CD1-CG1 4.25Å; I89-I117 HydrophobicContact CG1-CD1 4.3Å; I89-I117 HydrophobicContact CG1-CG1 3.99Å; I89-I117 HydrophobicContact CG2-CD1 3.95Å; I89-I117 HydrophobicContact CG2-CG1 4.42Å; I89-I141 HydrophobicContact CD1-CB 4.49Å; I89-I141 HydrophobicContact CG1-CB 4.46Å; I89-I141 HydrophobicContact CG1-CD1 4.06Å
90Y90.7Very high89.2Confident104 Ų10456.7 Ų56.741%0.40829%0.293SS..Hα-helixtrans-69.5-46.4175.9-57.4-79.3000111.8S88 S93 F94 Y109 H112 I117S88-Y90 PolarHBondContact O-N 2.83Å; S88-Y90 PolarHBondContact OG-N 2.83Å; Y90-S93 PolarHBondContact O-N 2.91Å; Y90-F94 WeakPolarHBondContact O-CB 3.34Å; Y90-F94 PolarHBondContact O-N 2.87Å; Y90-Y109 HydrophobicContact CD1-CD2 4.38Å; Y90-Y109 HydrophobicContact CD1-CE2 4.11Å; Y90-Y109 HydrophobicContact CE1-CD2 4.43Å; Y90-Y109 AromaticContact CE1-CE2 3.73Å; Y90-Y109 HydrophobicContact CE1-CE2 3.73Å; Y90-H112 PolarHBondContact OH-CD2 2.83Å; Y90-H112 VanDerWaalsContact OH-CD2 3.27Å; Y90-I117 HydrophobicContact CD1-CD1 3.94Å; Y90-I117 HydrophobicContact CE1-CD1 3.82Å
91S89.8Confident88.9Confident50 Ų5058.9 Ų58.935%0.3532%0.316SS..Hα-helixtrans-65.2-43.3176.5-55.30000111S88 S93 F94 N95S88-S91 WeakPolarHBondContact O-CB 3.47Å; S88-S91 PolarHBondContact O-N 2.85Å; S88-S91 PolarHBondContact OG-N 2.8Å; S88-S91 PolarHBondContact OG-OG 2.92Å; S91-S93 PolarHBondContact O-N 2.85Å; S91-F94 PolarHBondContact O-N 2.92Å; S91-N95 PolarHBondContact O-N 3.03Å
92Q92.2Very high88.5Confident16 Ų1664.7 Ų64.78%0.07535%0.352CS..Hα-helixtrans-56.8-50.9175.7-68.9170.8-8.400110.5L80 L84 E87 S88 N95 Y96 I141L80-Q92 HydrophobicContact CD1-CB 4.03Å; L80-Q92 HydrophobicContact CD1-CG 4.21Å; L80-Q92 HydrophobicContact CD2-CB 4.47Å; L80-Q92 VanDerWaalsContact CD2-CD 3.42Å; L80-Q92 HydrophobicContact CD2-CG 3.84Å; L84-Q92 HydrophobicContact CB-CG 4.34Å; L84-Q92 WeakPolarHBondContact O-CG 3.42Å; L84-Q92 PolarHBondContact O-NE2 2.81Å; E87-Q92 HydrophobicContact CB-CG 4.16Å; E87-Q92 PolarHBondContact O-NE2 2.83Å; S88-Q92 WeakPolarHBondContact O-CG 2.98Å; S88-Q92 PolarHBondContact O-N 3Å; Q92-N95 WeakPolarHBondContact O-CB 3.25Å; Q92-N95 PolarHBondContact O-N 3.42Å; Q92-Y96 VanDerWaalsContact O-CD2 3.27Å; Q92-Y96 WeakPolarHBondContact O-CD2 3.43Å; Q92-I141 HydrophobicContact CB-CD1 3.47Å; Q92-I141 VanDerWaalsContact CB-CD1 3.47Å; Q92-I141 HydrophobicContact CG-CD1 4.32Å
93S92.5Very high88.1Confident0 Ų061.8 Ų61.80%033%0.333CS..Hα-helixtrans-67.6-41.7179.9-54.60000112.6I89 Y90 S91 N95 Y96 V97 I117I89-S93 VanDerWaalsContact O-CB 3.31Å; I89-S93 WeakPolarHBondContact O-CB 3.44Å; I89-S93 PolarHBondContact O-N 2.87Å; I89-S93 PolarHBondContact O-OG 2.72Å; Y90-S93 PolarHBondContact O-N 2.91Å; S91-S93 PolarHBondContact O-N 2.85Å; S93-N95 VanDerWaalsContact C-N 3.26Å; S93-N95 PolarHBondContact O-N 3.1Å; S93-Y96 PolarHBondContact O-N 3.35Å; S93-V97 PolarHBondContact O-N 3.16Å; S93-I117 VanDerWaalsContact OG-CG1 3.29Å; S93-I117 WeakPolarHBondContact OG-CG1 3.47Å
94F91.1Very high88Confident121 Ų12156.5 Ų56.553%0.53131%0.305SS..Hα-helixtrans-65.2-29-178.9-176.9-103.9000112.8Y90 S91 Y96 V97 S98Y90-F94 WeakPolarHBondContact O-CB 3.34Å; Y90-F94 PolarHBondContact O-N 2.87Å; S91-F94 PolarHBondContact O-N 2.92Å; F94-Y96 VanDerWaalsContact C-N 3.26Å; F94-Y96 PolarHBondContact O-N 2.84Å; F94-V97 PolarHBondContact O-N 2.77Å; F94-S98 WeakPolarHBondContact O-CB 3.44Å; F94-S98 PolarHBondContact O-N 2.79Å; F94-S98 PolarHBondContact O-OG 3.39Å
95N91.5Very high87.6Confident41 Ų4156.5 Ų56.522%0.21931%0.308CS..Hα-helixtrans-54.1-44.7176.1-168.4-89.1000111.6L84 S91 Q92 S93 S98 R99L84-N95 HydrophobicContact CD1-CB 3.81Å; L84-N95 HydrophobicContact CD2-CB 4.32Å; S91-N95 PolarHBondContact O-N 3.03Å; Q92-N95 WeakPolarHBondContact O-CB 3.25Å; Q92-N95 PolarHBondContact O-N 3.42Å; S93-N95 VanDerWaalsContact C-N 3.26Å; S93-N95 PolarHBondContact O-N 3.1Å; N95-S98 PolarHBondContact O-OG 3.39Å; N95-R99 WeakPolarHBondContact O-CG 3.42Å; N95-R99 PolarHBondContact OD1-NE 3.3Å; N95-R99 VanDerWaalsContact OD1-NE 3.11Å; N95-R99 PolarHBondContact OD1-NH2 3.17Å
96Y93.8Very high87.9Confident1 Ų158 Ų580%0.00431%0.312CS..Hα-helixtrans-71.4-43.2177.4-64.6-89.4000112.7F39 F76 L80 P81 L84 Q92 S93 F94 S98 R99 I152 I154F39-Y96 HydrophobicContact CB-CD1 4.46Å; F39-Y96 HydrophobicContact CD1-CD1 4.06Å; F39-Y96 WeakPolarHBondContact O-CE1 3.29Å; F76-Y96 HydrophobicContact CE1-CE1 4.36Å; L80-Y96 HydrophobicContact CD1-CE2 4.22Å; P81-Y96 WeakPolarHBondContact CD-OH 3.4Å; L84-Y96 HydrophobicContact CD1-CE2 4.48Å; Q92-Y96 VanDerWaalsContact O-CD2 3.27Å; Q92-Y96 WeakPolarHBondContact O-CD2 3.43Å; S93-Y96 PolarHBondContact O-N 3.35Å; F94-Y96 VanDerWaalsContact C-N 3.26Å; F94-Y96 PolarHBondContact O-N 2.84Å; Y96-S98 VanDerWaalsContact C-N 3.32Å; Y96-S98 PolarHBondContact O-N 3.29Å; Y96-R99 PolarHBondContact O-N 2.75Å; Y96-I152 HydrophobicContact CD2-CD1 3.57Å; Y96-I152 HydrophobicContact CE1-CD1 4.22Å; Y96-I152 HydrophobicContact CE2-CD1 3.14Å; Y96-I152 HydrophobicContact CG-CD1 4.29Å; Y96-I152 VanDerWaalsContact CZ-CD1 3.49Å; Y96-I154 HydrophobicContact CD1-CD1 3.51Å; Y96-I154 HydrophobicContact CD2-CD1 4.33Å; Y96-I154 HydrophobicContact CE1-CD1 4.14Å; Y96-I154 HydrophobicContact CG-CD1 3.61Å
97V91Very high88.1Confident11 Ų1150.1 Ų50.17%0.06728%0.279CS..Hα-helixtrans-61.5-42.2179.1179.40000111S93 F94 R99 L100 L107 F119 M137S93-V97 PolarHBondContact O-N 3.16Å; F94-V97 PolarHBondContact O-N 2.77Å; V97-R99 VanDerWaalsContact C-N 3.28Å; V97-R99 PolarHBondContact O-N 2.67Å; V97-L100 WeakPolarHBondContact O-CB 3.5Å; V97-L100 PolarHBondContact O-N 3.17Å; V97-L107 HydrophobicContact CG1-CB 4.14Å; V97-L107 HydrophobicContact CG1-CD1 4.15Å; V97-F119 HydrophobicContact CG1-CD1 4.3Å; V97-F119 HydrophobicContact CG2-CD1 4.05Å; V97-F119 HydrophobicContact CG2-CD2 3.7Å; V97-F119 HydrophobicContact CG2-CE1 3.97Å; V97-F119 HydrophobicContact CG2-CE2 3.61Å; V97-F119 HydrophobicContact CG2-CG 3.94Å; V97-F119 HydrophobicContact CG2-CZ 3.76Å; V97-M137 HydrophobicContact CG2-CE 3.95Å; V97-M137 HydrophobicContact CG2-SD 3.78Å
98S89.7Confident88.1Confident60 Ų6050.5 Ų50.542%0.4228%0.276SS..Hα-helixtrans-64-31.9-177.769.10000113.3F94 N95 Y96 L100 G101F94-S98 WeakPolarHBondContact O-CB 3.44Å; F94-S98 PolarHBondContact O-N 2.79Å; F94-S98 PolarHBondContact O-OG 3.39Å; N95-S98 PolarHBondContact O-OG 3.39Å; Y96-S98 VanDerWaalsContact C-N 3.32Å; Y96-S98 PolarHBondContact O-N 3.29Å; S98-L100 VanDerWaalsContact C-N 3.32Å; S98-L100 PolarHBondContact O-N 3.43Å; S98-G101 PolarHBondContact O-N 3.46Å
99R91.9Very high88.1Confident107 Ų10752.8 Ų52.840%0.40428%0.277SS..Hα-helixtrans-73.2-22.3178-65.3169.7-171.5-161.75113.2A38 N95 Y96 V97 G101A38-R99 HydrophobicContact CB-CB 3.88Å; A38-R99 WeakPolarHBondContact O-CD 3.49Å; N95-R99 WeakPolarHBondContact O-CG 3.42Å; N95-R99 PolarHBondContact OD1-NE 3.3Å; N95-R99 VanDerWaalsContact OD1-NE 3.11Å; N95-R99 PolarHBondContact OD1-NH2 3.17Å; Y96-R99 PolarHBondContact O-N 2.75Å; V97-R99 VanDerWaalsContact C-N 3.28Å; V97-R99 PolarHBondContact O-N 2.67Å; R99-G101 PolarHBondContact O-N 2.89Å
100L89.2Confident88.1Confident4 Ų452.1 Ų52.12%0.02127%0.272CS..THydrogen-bonded Turntrans-72.6-18.6171.9-64.3167.9000112.3L34 F35 A38 F39 V97 S98 A103 V104 L107 M137L34-L100 HydrophobicContact CD2-CD2 4.33Å; L34-L100 HydrophobicContact CG-CD2 4.09Å; F35-L100 HydrophobicContact CD1-CD2 3.78Å; F35-L100 HydrophobicContact CE1-CD2 4.13Å; A38-L100 HydrophobicContact CB-CD2 3.46Å; A38-L100 VanDerWaalsContact CB-CD2 3.46Å; A38-L100 HydrophobicContact CB-CG 3.87Å; F39-L100 HydrophobicContact CE1-CD1 3.72Å; F39-L100 HydrophobicContact CE1-CD2 3.78Å; F39-L100 HydrophobicContact CE1-CG 3.81Å; F39-L100 HydrophobicContact CZ-CD1 3.79Å; F39-L100 HydrophobicContact CZ-CD2 3.85Å; F39-L100 HydrophobicContact CZ-CG 4.18Å; V97-L100 WeakPolarHBondContact O-CB 3.5Å; V97-L100 PolarHBondContact O-N 3.17Å; S98-L100 VanDerWaalsContact C-N 3.32Å; S98-L100 PolarHBondContact O-N 3.43Å; L100-A103 WeakPolarHBondContact O-CB 3.11Å; L100-A103 PolarHBondContact O-N 2.84Å; L100-V104 HydrophobicContact CB-CG1 4.27Å; L100-V104 HydrophobicContact CB-CG2 3.67Å; L100-V104 HydrophobicContact CD1-CG1 4.17Å; L100-V104 HydrophobicContact CD1-CG2 3.92Å; L100-V104 HydrophobicContact CD2-CG1 4.19Å; L100-V104 HydrophobicContact CG-CG1 4.46Å; L100-V104 HydrophobicContact CG-CG2 4.38Å; L100-L107 HydrophobicContact CD1-CD1 4.47Å; L100-M137 HydrophobicContact CD1-CE 3.74Å; L100-M137 HydrophobicContact CD1-SD 3.5Å; L100-M137 VanDerWaalsContact CD1-SD 3.5Å
101G83Confident87.9Confident47 Ų4748.2 Ų48.249%0.48526%0.258SS..THydrogen-bonded Turntrans57.3-142-177.900000112.7S98 R99S98-G101 PolarHBondContact O-N 3.46Å; R99-G101 PolarHBondContact O-N 2.89Å
102T81.2Confident87.8Confident128 Ų12850.4 Ų50.479%0.78526%0.263SS*.THydrogen-bonded Turntrans-86.9-5.6178.250.90000113.4V104 G105T102-V104 VanDerWaalsContact C-N 3.26Å; T102-V104 PolarHBondContact O-N 3.05Å; T102-G105 PolarHBondContact O-N 2.66Å
103A77.6Confident87.2Confident26 Ų2653 Ų5322%0.21528%0.275CS..THydrogen-bonded Turntrans-62.3-32.6-173.700000112.5Q30 L34 L100 G105 T160 Q162Q30-A103 PolarHBondContact NE2-O 3.11Å; Q30-A103 PolarHBondContact OE1-O 3.05Å; L34-A103 HydrophobicContact CD1-CB 3.76Å; L34-A103 HydrophobicContact CD2-CB 3.65Å; L34-A103 HydrophobicContact CG-CB 4.37Å; L100-A103 WeakPolarHBondContact O-CB 3.11Å; L100-A103 PolarHBondContact O-N 2.84Å; A103-G105 VanDerWaalsContact C-N 3.33Å; A103-T160 WeakPolarHBondContact O-CG2 3.2Å; A103-Q162 PolarHBondContact O-NE2 2.9Å
104V82.7Confident86.7Confident8 Ų860.3 Ų60.35%0.04831%0.309CS..THydrogen-bonded Turntrans-90.710.1176.1-67.20000113.8Q30 L34 F35 L100 T102 L107 I121 T160Q30-V104 HydrophobicContact CG-CG1 4.28Å; L34-V104 HydrophobicContact CD2-CG1 3.93Å; F35-V104 HydrophobicContact CE1-CG1 3.99Å; F35-V104 HydrophobicContact CZ-CG1 4.35Å; L100-V104 HydrophobicContact CB-CG1 4.27Å; L100-V104 HydrophobicContact CB-CG2 3.67Å; L100-V104 HydrophobicContact CD1-CG1 4.17Å; L100-V104 HydrophobicContact CD1-CG2 3.92Å; L100-V104 HydrophobicContact CD2-CG1 4.19Å; L100-V104 HydrophobicContact CG-CG1 4.46Å; L100-V104 HydrophobicContact CG-CG2 4.38Å; T102-V104 VanDerWaalsContact C-N 3.26Å; T102-V104 PolarHBondContact O-N 3.05Å; V104-L107 HydrophobicContact CB-CD1 4.23Å; V104-L107 HydrophobicContact CG2-CD1 3.37Å; V104-L107 HydrophobicContact CG2-CG 4Å; V104-I121 WeakPolarHBondContact O-CD1 3.31Å; V104-T160 PolarHBondContact O-OG1 2.68Å
105G80.3Confident86.3Confident12 Ų1256 Ų5612%0.12430%0.298CS..  trans87.4-176-176.600000113T102 A103 L107 T160T102-G105 PolarHBondContact O-N 2.66Å; A103-G105 VanDerWaalsContact C-N 3.33Å; G105-L107 VanDerWaalsContact C-N 3.26Å; G105-L107 PolarHBondContact O-N 3.02Å; G105-T160 PolarHBondContact N-OG1 3.1Å
106N86.4Confident86.3Confident84 Ų8456.5 Ų56.545%0.44930%0.299SS..SBendtrans-77.572.6-177.1-165.7-18.3000111.4R108 I121 F122N106-R108 PolarHBondContact ND2-NH2 2.93Å; N106-R108 PolarHBondContact OD1-NE 2.99Å; N106-R108 VanDerWaalsContact OD1-NE 3.1Å; N106-I121 WeakPolarHBondContact O-CA 3.33Å; N106-F122 PolarHBondContact O-N 3.06Å
107L89.7Confident86.3Confident27 Ų2756.5 Ų56.514%0.14130%0.299CS..EExtended strand (participates in β ladder)trans-68.4129.4175.8-78.2178.2000110.9V97 L100 V104 G105 F119 R120 I121 M137V97-L107 HydrophobicContact CG1-CB 4.14Å; V97-L107 HydrophobicContact CG1-CD1 4.15Å; L100-L107 HydrophobicContact CD1-CD1 4.47Å; V104-L107 HydrophobicContact CB-CD1 4.23Å; V104-L107 HydrophobicContact CG2-CD1 3.37Å; V104-L107 HydrophobicContact CG2-CG 4Å; G105-L107 VanDerWaalsContact C-N 3.26Å; G105-L107 PolarHBondContact O-N 3.02Å; L107-F119 HydrophobicContact CD2-CB 4.19Å; L107-R120 CarbonylContact C-O 2.84Å; L107-R120 WeakPolarHBondContact CA-O 3.11Å; L107-I121 HydrophobicContact CD2-CG1 3.76Å; L107-I121 HydrophobicContact CG-CG1 4.37Å; L107-M137 HydrophobicContact CD1-CB 4.14Å; L107-M137 HydrophobicContact CD1-SD 3.86Å; L107-M137 HydrophobicContact CD2-CB 4.3Å
108R87.2Confident86.3Confident110 Ų11056.5 Ų56.542%0.41530%0.299SS..EExtended strand (participates in β ladder)trans-133.1149.2173.8-52.7-176.3-175-179.13110.3N106 F110 F119 R120 F122N106-R108 PolarHBondContact ND2-NH2 2.93Å; N106-R108 PolarHBondContact OD1-NE 2.99Å; N106-R108 VanDerWaalsContact OD1-NE 3.1Å; R108-F110 PolarHBondContact O-N 2.89Å; R108-F119 CarbonylContact O-C 3.55Å; R108-F119 WeakPolarHBondContact O-CA 3.36Å; R108-R120 PolarHBondContact N-O 3.26Å; R108-R120 PolarHBondContact O-N 2.93Å; R108-F122 HydrophobicContact CB-CD2 3.7Å; R108-F122 HydrophobicContact CB-CE2 3.71Å; R108-F122 HydrophobicContact CB-CG 4.46Å; R108-F122 HydrophobicContact CB-CZ 4.45Å; R108-F122 HydrophobicContact CG-CD2 3.88Å; R108-F122 HydrophobicContact CG-CE2 4.37Å; R108-F122 HydrophobicContact CG-CG 4.24Å
109Y90.3Very high86.5Confident103 Ų10354 Ų5440%0.40428%0.281SS..EExtended strand (participates in β ladder)trans-53.3130.4169.8167.6-95.7000109.6Y90 D111 H112 I117Y90-Y109 HydrophobicContact CD1-CD2 4.38Å; Y90-Y109 HydrophobicContact CD1-CE2 4.11Å; Y90-Y109 HydrophobicContact CE1-CD2 4.43Å; Y90-Y109 AromaticContact CE1-CE2 3.73Å; Y90-Y109 HydrophobicContact CE1-CE2 3.73Å; Y109-D111 WeakPolarHBondContact CE2-O 3.34Å; Y109-H112 PolarHBondContact OH-CD2 3.09Å; Y109-I117 HydrophobicContact CD2-CG2 3.69Å; Y109-I117 HydrophobicContact CE2-CG2 3.96Å
110F89.5Confident86.6Confident35 Ų3550.1 Ų50.115%0.15427%0.266CS..EExtended strand (participates in β ladder)trans-114.8-59.6-179.6-179.7-103.6000111R108 N118 R120 F122 P127 F129 I197R108-F110 PolarHBondContact O-N 2.89Å; F110-N118 WeakPolarHBondContact CB-O 3.41Å; F110-N118 PolarHBondContact N-O 3.32Å; F110-R120 HydrophobicContact CB-CB 4.21Å; F110-R120 HydrophobicContact CB-CG 3.95Å; F110-R120 HydrophobicContact CD1-CG 4.33Å; F110-R120 HydrophobicContact CD2-CG 4.49Å; F110-R120 HydrophobicContact CG-CB 4.48Å; F110-R120 HydrophobicContact CG-CG 4Å; F110-F122 HydrophobicContact CD2-CZ 4.31Å; F110-P127 HydrophobicContact CD2-CB 4.02Å; F110-P127 HydrophobicContact CD2-CG 4.27Å; F110-P127 HydrophobicContact CE2-CB 4Å; F110-P127 HydrophobicContact CE2-CG 3.82Å; F110-F129 HydrophobicContact CE1-CE1 4.13Å; F110-F129 HydrophobicContact CE1-CZ 4.31Å; F110-F129 AromaticContact CE2-CZ 3.92Å; F110-F129 HydrophobicContact CE2-CZ 3.92Å; F110-F129 AromaticContact CZ-CE1 3.78Å; F110-F129 HydrophobicContact CZ-CE1 3.78Å; F110-F129 AromaticContact CZ-CZ 3.51Å; F110-F129 HydrophobicContact CZ-CZ 3.51Å; F110-I197 HydrophobicContact CE2-CD1 4.2Å; F110-I197 HydrophobicContact CE2-CG2 4.41Å; F110-I197 HydrophobicContact CZ-CD1 3.74Å
111D86.4Confident86.7Confident21 Ų2150.2 Ų50.211%0.11227%0.267CS..EExtended strand (participates in β ladder)trans-156.5-178.5175.172.9-3.9000112.6Y109 N118 K221Y109-D111 WeakPolarHBondContact CE2-O 3.34Å; D111-N118 PolarHBondContact N-O 3.21Å; D111-N118 PolarHBondContact O-N 2.8Å; D111-N118 WeakPolarHBondContact OD1-CB 3.31Å; D111-N118 PolarHBondContact OD1-ND2 3.42Å; D111-K221 IonicContact OD2-NZ 3.81Å; D111-K221 PolarHBondContact OD2-NZ 2.81Å
112H85.7Confident87.1Confident97 Ų9749.6 Ų49.645%0.44925%0.251SS..EExtended strand (participates in β ladder)trans-138153.4173.273.685000111.2Y90 Y109 Q116 I117Y90-H112 PolarHBondContact OH-CD2 2.83Å; Y90-H112 VanDerWaalsContact OH-CD2 3.27Å; Y109-H112 PolarHBondContact OH-CD2 3.09Å; H112-Q116 CarbonylContact C-O 3.46Å; H112-Q116 WeakPolarHBondContact CA-O 3.26Å; H112-Q116 WeakPolarHBondContact CB-O 3.45Å; H112-I117 HydrophobicContact CB-CD1 3.46Å; H112-I117 VanDerWaalsContact CB-CD1 3.46Å
113H81.2Confident87.3Confident70 Ų7043.9 Ų43.932%0.32422%0.216SC..EExtended strand (participates in β ladder)trans-153.5126175.4-176.1-84000109.9G115 Q116H113-G115 PolarHBondContact O-N 3.24Å; H113-Q116 PolarHBondContact N-O 3.02Å; H113-Q116 WeakPolarHBondContact O-CA 3.3Å; H113-Q116 VanDerWaalsContact O-CB 3.22Å; H113-Q116 WeakPolarHBondContact O-CB 3.25Å; H113-Q116 PolarHBondContact O-N 3.11Å
114E80.3Confident87.7Confident154 Ų15449.1 Ų49.172%0.7224%0.236SC*.THydrogen-bonded Turntrans42.559.9171.9-66.7179.5168.900115.1Q116E114-Q116 PolarHBondContact O-N 3.5Å
115G82.8Confident87.8Confident30 Ų3050.9 Ų50.931%0.30926%0.256SS..THydrogen-bonded Turntrans737.7179.400000114.5I89 H113 K140 I141I89-G115 WeakPolarHBondContact CD1-O 3.49Å; H113-G115 PolarHBondContact O-N 3.24Å; G115-K140 WeakPolarHBondContact O-CA 3.45Å; G115-I141 PolarHBondContact O-N 3.27Å
116Q92.1Very high88.3Confident51 Ų5153.9 Ų53.924%0.23826%0.264CS..EExtended strand (participates in β ladder)trans-109.3127.7172.2-169.6177.1-61.200111H112 H113 E114 N118 V139 K140H112-Q116 CarbonylContact C-O 3.46Å; H112-Q116 WeakPolarHBondContact CA-O 3.26Å; H112-Q116 WeakPolarHBondContact CB-O 3.45Å; H113-Q116 PolarHBondContact N-O 3.02Å; H113-Q116 WeakPolarHBondContact O-CA 3.3Å; H113-Q116 VanDerWaalsContact O-CB 3.22Å; H113-Q116 WeakPolarHBondContact O-CB 3.25Å; H113-Q116 PolarHBondContact O-N 3.11Å; E114-Q116 PolarHBondContact O-N 3.5Å; Q116-N118 PolarHBondContact NE2-OD1 3.23Å; Q116-V139 CarbonylContact C-O 3.53Å; Q116-V139 VanDerWaalsContact CA-O 3.29Å; Q116-V139 WeakPolarHBondContact CA-O 3.03Å; Q116-K140 HydrophobicContact CB-CB 4.14Å; Q116-K140 HydrophobicContact CB-CG 4.04Å; Q116-K140 HydrophobicContact CG-CB 4.06Å; Q116-K140 HydrophobicContact CG-CG 4.47Å
117I93.3Very high88.6Confident1 Ų150.2 Ų50.21%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-97.7129.2167.6-54.5-54.3000108.7I89 Y90 S93 Y109 H112 F119 S138 V139I89-I117 HydrophobicContact CD1-CD1 4.27Å; I89-I117 HydrophobicContact CD1-CG1 4.25Å; I89-I117 HydrophobicContact CG1-CD1 4.3Å; I89-I117 HydrophobicContact CG1-CG1 3.99Å; I89-I117 HydrophobicContact CG2-CD1 3.95Å; I89-I117 HydrophobicContact CG2-CG1 4.42Å; Y90-I117 HydrophobicContact CD1-CD1 3.94Å; Y90-I117 HydrophobicContact CE1-CD1 3.82Å; S93-I117 VanDerWaalsContact OG-CG1 3.29Å; S93-I117 WeakPolarHBondContact OG-CG1 3.47Å; Y109-I117 HydrophobicContact CD2-CG2 3.69Å; Y109-I117 HydrophobicContact CE2-CG2 3.96Å; H112-I117 HydrophobicContact CB-CD1 3.46Å; H112-I117 VanDerWaalsContact CB-CD1 3.46Å; I117-F119 HydrophobicContact CB-CE2 4.09Å; I117-F119 HydrophobicContact CG2-CD2 4.07Å; I117-F119 HydrophobicContact CG2-CE2 3.39Å; I117-F119 HydrophobicContact CG2-CZ 3.68Å; I117-S138 CarbonylContact O-C 3.56Å; I117-V139 PolarHBondContact N-O 2.91Å; I117-V139 PolarHBondContact O-N 3.32Å
118N91.9Very high88.7Confident11 Ų1149 Ų496%0.05924%0.238CC..EExtended strand (participates in β ladder)trans-107.5125.7175.3-58.4-56.4000110F110 D111 Q116 K136 S138F110-N118 WeakPolarHBondContact CB-O 3.41Å; F110-N118 PolarHBondContact N-O 3.32Å; D111-N118 PolarHBondContact N-O 3.21Å; D111-N118 PolarHBondContact O-N 2.8Å; D111-N118 WeakPolarHBondContact OD1-CB 3.31Å; D111-N118 PolarHBondContact OD1-ND2 3.42Å; Q116-N118 PolarHBondContact NE2-OD1 3.23Å; N118-K136 VanDerWaalsContact CG-CE 3.45Å; N118-K136 WeakPolarHBondContact OD1-CE 3.5Å; N118-K136 PolarHBondContact OD1-NZ 2.76Å; N118-S138 PolarHBondContact OD1-OG 3.44Å
119F94.1Very high88.8Confident9 Ų944 Ų444%0.03922%0.219CC..EExtended strand (participates in β ladder)trans-103.2147.4167.2-58.5-99.4000108.9V97 L107 R108 I117 K136 M137 V139V97-F119 HydrophobicContact CG1-CD1 4.3Å; V97-F119 HydrophobicContact CG2-CD1 4.05Å; V97-F119 HydrophobicContact CG2-CD2 3.7Å; V97-F119 HydrophobicContact CG2-CE1 3.97Å; V97-F119 HydrophobicContact CG2-CE2 3.61Å; V97-F119 HydrophobicContact CG2-CG 3.94Å; V97-F119 HydrophobicContact CG2-CZ 3.76Å; L107-F119 HydrophobicContact CD2-CB 4.19Å; R108-F119 CarbonylContact O-C 3.55Å; R108-F119 WeakPolarHBondContact O-CA 3.36Å; I117-F119 HydrophobicContact CB-CE2 4.09Å; I117-F119 HydrophobicContact CG2-CD2 4.07Å; I117-F119 HydrophobicContact CG2-CE2 3.39Å; I117-F119 HydrophobicContact CG2-CZ 3.68Å; F119-K136 CarbonylContact O-C 3.5Å; F119-K136 WeakPolarHBondContact O-CA 3.27Å; F119-M137 HydrophobicContact CB-CB 4.34Å; F119-M137 PolarHBondContact N-O 3.16Å; F119-M137 PolarHBondContact O-N 3.01Å; F119-V139 HydrophobicContact CE2-CG2 4.3Å
120R93.5Very high88.7Confident24 Ų2440.2 Ų40.29%0.09121%0.208CC..EExtended strand (participates in β ladder)trans-129.9152173.7-71.7-174175.3-79.3-2.1110.6L107 R108 F110 F122 P127 I128 G135 K136L107-R120 CarbonylContact C-O 2.84Å; L107-R120 WeakPolarHBondContact CA-O 3.11Å; R108-R120 PolarHBondContact N-O 3.26Å; R108-R120 PolarHBondContact O-N 2.93Å; F110-R120 HydrophobicContact CB-CB 4.21Å; F110-R120 HydrophobicContact CB-CG 3.95Å; F110-R120 HydrophobicContact CD1-CG 4.33Å; F110-R120 HydrophobicContact CD2-CG 4.49Å; F110-R120 HydrophobicContact CG-CB 4.48Å; F110-R120 HydrophobicContact CG-CG 4Å; R120-F122 HydrophobicContact CB-CE2 4.19Å; R120-F122 VanDerWaalsContact O-CD2 3.29Å; R120-F122 WeakPolarHBondContact O-CD2 3.47Å; R120-P127 HydrophobicContact CB-CB 4.28Å; R120-I128 WeakPolarHBondContact CD-O 3.42Å; R120-I128 PolarHBondContact NH1-O 3.18Å; R120-G135 CarbonylContact C-O 3.34Å; R120-G135 VanDerWaalsContact CA-O 3.25Å; R120-G135 WeakPolarHBondContact CA-O 3.45Å; R120-K136 HydrophobicContact CG-CG 4.38Å
121I92Very high88Confident7 Ų745 Ų454%0.03624%0.242CC..EExtended strand (participates in β ladder)trans-71.4135.5168.5-59.7-179.7000107.9V104 N106 L107 I128 G135 V161V104-I121 WeakPolarHBondContact O-CD1 3.31Å; N106-I121 WeakPolarHBondContact O-CA 3.33Å; L107-I121 HydrophobicContact CD2-CG1 3.76Å; L107-I121 HydrophobicContact CG-CG1 4.37Å; I121-I128 HydrophobicContact CB-CD1 4.15Å; I121-I128 HydrophobicContact CG2-CD1 3.88Å; I121-I128 PolarHBondContact O-N 2.98Å; I121-G135 PolarHBondContact N-O 2.96Å; I121-V161 HydrophobicContact CD1-CG2 4.37Å; I121-V161 HydrophobicContact CG2-CG2 3.96Å
122F90.1Very high87.9Confident33 Ų3346.5 Ų46.515%0.14526%0.255CS..EExtended strand (participates in β ladder)trans-110.3130.5174.8-80.4-116.7000110.9N106 R108 F110 R120 G125 Y126 P127N106-F122 PolarHBondContact O-N 3.06Å; R108-F122 HydrophobicContact CB-CD2 3.7Å; R108-F122 HydrophobicContact CB-CE2 3.71Å; R108-F122 HydrophobicContact CB-CG 4.46Å; R108-F122 HydrophobicContact CB-CZ 4.45Å; R108-F122 HydrophobicContact CG-CD2 3.88Å; R108-F122 HydrophobicContact CG-CE2 4.37Å; R108-F122 HydrophobicContact CG-CG 4.24Å; F110-F122 HydrophobicContact CD2-CZ 4.31Å; R120-F122 HydrophobicContact CB-CE2 4.19Å; R120-F122 VanDerWaalsContact O-CD2 3.29Å; R120-F122 WeakPolarHBondContact O-CD2 3.47Å; F122-G125 WeakPolarHBondContact CD1-O 3.04Å; F122-Y126 CarbonylContact C-O 3.57Å; F122-Y126 VanDerWaalsContact CA-O 3.28Å; F122-Y126 WeakPolarHBondContact CA-O 3.08Å; F122-P127 HydrophobicContact CD2-CB 4.37Å; F122-P127 HydrophobicContact CE1-CB 4.09Å; F122-P127 HydrophobicContact CE1-CG 4.29Å; F122-P127 HydrophobicContact CE2-CB 3.91Å; F122-P127 HydrophobicContact CZ-CB 3.77Å; F122-P127 HydrophobicContact CZ-CG 4.26Å
123V86.6Confident87.9Confident9 Ų942.6 Ų42.66%0.05524%0.238CC..EExtended strand (participates in β ladder)trans-118.1126.3171.7162.80000108.2Y23 Y25 G125 Y126 I128 V161 Y200 L214Y23-V123 HydrophobicContact CD2-CG1 3.77Å; Y23-V123 HydrophobicContact CE2-CG1 3.97Å; Y23-V123 HydrophobicContact CG-CG1 4.49Å; Y25-V123 HydrophobicContact CE1-CG2 4.49Å; Y25-V123 HydrophobicContact CE2-CG1 4.05Å; Y25-V123 HydrophobicContact CE2-CG2 4.2Å; Y25-V123 WeakPolarHBondContact OH-CG1 3.33Å; V123-G125 PolarHBondContact O-N 2.67Å; V123-Y126 PolarHBondContact N-O 3.09Å; V123-Y126 PolarHBondContact O-N 2.96Å; V123-I128 HydrophobicContact CB-CD1 4.42Å; V123-I128 HydrophobicContact CG2-CD1 3.75Å; V123-I128 HydrophobicContact CG2-CG1 4.43Å; V123-V161 HydrophobicContact CG2-CG2 4.44Å; V123-Y200 HydrophobicContact CG1-CE2 4.43Å; V123-L214 HydrophobicContact CB-CD1 4.35Å; V123-L214 HydrophobicContact CG1-CD1 4.43Å; V123-L214 HydrophobicContact CG2-CD1 4.02Å
124E85Confident88.3Confident136 Ų13640.3 Ų40.364%0.63623%0.227SC*.THydrogen-bonded Turntrans50.534.9-177.7-64.2-57.8130.900113.7Y23 Y126Y23-E124 HydrophobicContact CE2-CB 4.34Å; Y23-E124 HydrophobicContact CE2-CG 3.89Å; Y23-E124 WeakPolarHBondContact OH-CG 3.37Å; E124-Y126 VanDerWaalsContact C-N 3.29Å; E124-Y126 WeakPolarHBondContact O-CD2 3.3Å; E124-Y126 WeakPolarHBondContact O-CE2 3.43Å; E124-Y126 PolarHBondContact O-N 3.42Å
125G85Confident88.7Confident45 Ų4533.1 Ų33.146%0.46419%0.194SC..THydrogen-bonded Turntrans80.32.2-179.400000115.3F122 V123F122-G125 WeakPolarHBondContact CD1-O 3.04Å; V123-G125 PolarHBondContact O-N 2.67Å
126Y91.1Very high89.2Confident75 Ų7533.7 Ų33.729%0.29419%0.188SC..EExtended strand (participates in β ladder)trans-109.3138177.1-61-79.7000111.9L20 F122 V123 E124 I198 Y200L20-Y126 HydrophobicContact CD1-CE1 4.47Å; L20-Y126 HydrophobicContact CD2-CD2 4.37Å; L20-Y126 HydrophobicContact CD2-CE2 3.59Å; F122-Y126 CarbonylContact C-O 3.57Å; F122-Y126 VanDerWaalsContact CA-O 3.28Å; F122-Y126 WeakPolarHBondContact CA-O 3.08Å; V123-Y126 PolarHBondContact N-O 3.09Å; V123-Y126 PolarHBondContact O-N 2.96Å; E124-Y126 VanDerWaalsContact C-N 3.29Å; E124-Y126 WeakPolarHBondContact O-CD2 3.3Å; E124-Y126 WeakPolarHBondContact O-CE2 3.43Å; E124-Y126 PolarHBondContact O-N 3.42Å; Y126-I198 HydrophobicContact CD1-CB 4.01Å; Y126-I198 HydrophobicContact CD1-CG2 4.01Å; Y126-I198 HydrophobicContact CE1-CB 4.01Å; Y126-I198 HydrophobicContact CE1-CG2 4.12Å; Y126-Y200 HydrophobicContact CD2-CE2 4.09Å; Y126-Y200 HydrophobicContact CG-CE2 4.3Å
127P92Very high89.3Confident7 Ų731.2 Ų31.25%0.04518%0.177CC..EExtended strand (participates in β ladder)trans-71.5146.3178.927.5-32.9000112.1F110 R120 F122 F129 I197 G199 Y200F110-P127 HydrophobicContact CD2-CB 4.02Å; F110-P127 HydrophobicContact CD2-CG 4.27Å; F110-P127 HydrophobicContact CE2-CB 4Å; F110-P127 HydrophobicContact CE2-CG 3.82Å; R120-P127 HydrophobicContact CB-CB 4.28Å; F122-P127 HydrophobicContact CD2-CB 4.37Å; F122-P127 HydrophobicContact CE1-CB 4.09Å; F122-P127 HydrophobicContact CE1-CG 4.29Å; F122-P127 HydrophobicContact CE2-CB 3.91Å; F122-P127 HydrophobicContact CZ-CB 3.77Å; F122-P127 HydrophobicContact CZ-CG 4.26Å; P127-F129 HydrophobicContact CB-CE2 4.08Å; P127-F129 HydrophobicContact CB-CZ 4.45Å; P127-F129 HydrophobicContact CG-CE2 3.68Å; P127-F129 HydrophobicContact CG-CZ 4.1Å; P127-I197 HydrophobicContact CG-CG2 4.09Å; P127-G199 CarbonylContact O-C 3.55Å; P127-G199 WeakPolarHBondContact O-CA 3.38Å; P127-Y200 PolarHBondContact O-N 2.91Å
128I91.7Very high89.4Confident0 Ų031.4 Ų31.40%018%0.178CC..EExtended strand (participates in β ladder)trans-92137.4172.5-58.5175.2000110.6R120 I121 V123 V161 Y200 W202 L214R120-I128 WeakPolarHBondContact CD-O 3.42Å; R120-I128 PolarHBondContact NH1-O 3.18Å; I121-I128 HydrophobicContact CB-CD1 4.15Å; I121-I128 HydrophobicContact CG2-CD1 3.88Å; I121-I128 PolarHBondContact O-N 2.98Å; V123-I128 HydrophobicContact CB-CD1 4.42Å; V123-I128 HydrophobicContact CG2-CD1 3.75Å; V123-I128 HydrophobicContact CG2-CG1 4.43Å; I128-V161 HydrophobicContact CD1-CG2 3.38Å; I128-Y200 CarbonylContact C-O 3.56Å; I128-Y200 WeakPolarHBondContact CA-O 3.42Å; I128-W202 HydrophobicContact CG2-CB 4.09Å; I128-W202 HydrophobicContact CG2-CE3 3.98Å; I128-L214 HydrophobicContact CD1-CD1 3.57Å; I128-L214 HydrophobicContact CD1-CD2 4.24Å; I128-L214 HydrophobicContact CG1-CD1 4.11Å; I128-L214 HydrophobicContact CG2-CD2 4.1Å
129F90.8Very high89.5Confident7 Ų730.9 Ų30.93%0.03118%0.175CC..EExtended strand (participates in β ladder)trans-121.1146177-64.5-93.6000111F110 P127 I197 Y200 T201 W202 F219F110-F129 HydrophobicContact CE1-CE1 4.13Å; F110-F129 HydrophobicContact CE1-CZ 4.31Å; F110-F129 AromaticContact CE2-CZ 3.92Å; F110-F129 HydrophobicContact CE2-CZ 3.92Å; F110-F129 AromaticContact CZ-CE1 3.78Å; F110-F129 HydrophobicContact CZ-CE1 3.78Å; F110-F129 AromaticContact CZ-CZ 3.51Å; F110-F129 HydrophobicContact CZ-CZ 3.51Å; P127-F129 HydrophobicContact CB-CE2 4.08Å; P127-F129 HydrophobicContact CB-CZ 4.45Å; P127-F129 HydrophobicContact CG-CE2 3.68Å; P127-F129 HydrophobicContact CG-CZ 4.1Å; F129-I197 HydrophobicContact CE2-CG2 4.44Å; F129-I197 HydrophobicContact CZ-CG2 4.28Å; F129-Y200 PolarHBondContact N-O 2.82Å; F129-T201 CarbonylContact O-C 3.53Å; F129-T201 WeakPolarHBondContact O-CA 3.02Å; F129-W202 WeakPolarHBondContact O-CB 3.34Å; F129-W202 PolarHBondContact O-N 3.47Å; F129-F219 HydrophobicContact CB-CD1 4.08Å; F129-F219 HydrophobicContact CB-CE1 3.2Å; F129-F219 HydrophobicContact CB-CE2 4.11Å; F129-F219 HydrophobicContact CB-CZ 3.26Å; F129-F219 AromaticContact CD1-CD1 3.55Å; F129-F219 HydrophobicContact CD1-CD1 3.55Å; F129-F219 AromaticContact CD1-CE1 3.59Å; F129-F219 HydrophobicContact CD1-CE1 3.59Å; F129-F219 HydrophobicContact CD1-CG 4.13Å; F129-F219 HydrophobicContact CD1-CZ 4.26Å; F129-F219 AromaticContact CD2-CD1 3.74Å; F129-F219 HydrophobicContact CD2-CD1 3.74Å; F129-F219 AromaticContact CD2-CD2 3.45Å; F129-F219 HydrophobicContact CD2-CD2 3.45Å; F129-F219 VanDerWaalsContact CD2-CD2 3.45Å; F129-F219 AromaticContact CD2-CE1 3.56Å; F129-F219 HydrophobicContact CD2-CE1 3.56Å; F129-F219 AromaticContact CD2-CE2 3.29Å; F129-F219 HydrophobicContact CD2-CE2 3.29Å; F129-F219 AromaticContact CD2-CG 3.69Å; F129-F219 HydrophobicContact CD2-CG 3.69Å; F129-F219 AromaticContact CD2-CZ 3.36Å; F129-F219 HydrophobicContact CD2-CZ 3.36Å; F129-F219 HydrophobicContact CE1-CB 4.36Å; F129-F219 AromaticContact CE1-CD1 3.79Å; F129-F219 HydrophobicContact CE1-CD1 3.79Å; F129-F219 HydrophobicContact CE1-CE1 4.29Å; F129-F219 HydrophobicContact CE1-CG 4.01Å; F129-F219 HydrophobicContact CE2-CB 4.11Å; F129-F219 AromaticContact CE2-CD1 3.92Å; F129-F219 HydrophobicContact CE2-CD1 3.92Å; F129-F219 AromaticContact CE2-CD2 3.41Å; F129-F219 HydrophobicContact CE2-CD2 3.41Å; F129-F219 VanDerWaalsContact CE2-CD2 3.41Å; F129-F219 HydrophobicContact CE2-CE1 4.22Å; F129-F219 AromaticContact CE2-CE2 3.78Å; F129-F219 HydrophobicContact CE2-CE2 3.78Å; F129-F219 AromaticContact CE2-CG 3.51Å; F129-F219 HydrophobicContact CE2-CG 3.51Å; F129-F219 HydrophobicContact CE2-CZ 4.18Å; F129-F219 AromaticContact CG-CD1 3.53Å; F129-F219 HydrophobicContact CG-CD1 3.53Å; F129-F219 HydrophobicContact CG-CD2 4.12Å; F129-F219 AromaticContact CG-CE1 3.18Å; F129-F219 HydrophobicContact CG-CE1 3.18Å; F129-F219 AromaticContact CG-CE2 3.86Å; F129-F219 HydrophobicContact CG-CE2 3.86Å; F129-F219 AromaticContact CG-CG 3.99Å; F129-F219 HydrophobicContact CG-CG 3.99Å; F129-F219 AromaticContact CG-CZ 3.39Å; F129-F219 HydrophobicContact CG-CZ 3.39Å; F129-F219 HydrophobicContact CZ-CB 3.93Å; F129-F219 AromaticContact CZ-CD1 3.96Å; F129-F219 HydrophobicContact CZ-CD1 3.96Å; F129-F219 HydrophobicContact CZ-CD2 4.09Å; F129-F219 AromaticContact CZ-CG 3.7Å; F129-F219 HydrophobicContact CZ-CG 3.7Å
130S86.9Confident89.6Confident23 Ų2333.3 Ų33.316%0.16119%0.186CC..  trans-146.2152.2177.3171.90000107.8S132 K134S130-S132 WeakPolarHBondContact CB-O 3.41Å; S130-S132 PolarHBondContact O-N 2.71Å; S130-S132 PolarHBondContact OG-N 3.38Å; S130-S132 PolarHBondContact OG-O 3.5Å; S130-S132 PolarHBondContact OG-OG 3.18Å; S130-K134 WeakPolarHBondContact CB-O 3.08Å
131P76.5Confident89.5Confident135 Ų13533.1 Ų33.188%0.87719%0.186SC*.SBendtrans-62-23.1164.7-19.832.3000113.3
132S82.8Confident89.4Confident53 Ų5337.6 Ų37.637%0.37121%0.207SC..SBendtrans-105.3-173.6176.770.60000111.9S130 K134S130-S132 WeakPolarHBondContact CB-O 3.41Å; S130-S132 PolarHBondContact O-N 2.71Å; S130-S132 PolarHBondContact OG-N 3.38Å; S130-S132 PolarHBondContact OG-O 3.5Å; S130-S132 PolarHBondContact OG-OG 3.18Å; S132-K134 PolarHBondContact O-N 3.48Å; S132-K134 VanDerWaalsContact O-N 3.17Å; S132-K134 WeakPolarHBondContact OG-CG 3.43Å; S132-K134 PolarHBondContact OG-N 2.94Å
133S86Confident89.1Confident14 Ų1442.9 Ų42.910%0.09824%0.237CC..SBendtrans-73.41.2177.2-360000113L73 G135 K136 E155L73-S133 WeakPolarHBondContact CD1-OG 3.43Å; S133-G135 PolarHBondContact O-N 3.18Å; S133-K136 CarbonylContact O-C 3.55Å; S133-K136 PolarHBondContact O-N 2.81Å; S133-E155 PolarHBondContact OG-OE1 3.1Å
134K89.2Confident88.5Confident23 Ų2344.1 Ų44.110%0.125%0.246CC..THydrogen-bonded Turntrans-58.7130.1173.8-68.6173.4170.9-171.60111.2S130 S132 K136 W202 D204S130-K134 WeakPolarHBondContact CB-O 3.08Å; S132-K134 PolarHBondContact O-N 3.48Å; S132-K134 VanDerWaalsContact O-N 3.17Å; S132-K134 WeakPolarHBondContact OG-CG 3.43Å; S132-K134 PolarHBondContact OG-N 2.94Å; K134-K136 PolarHBondContact O-N 2.92Å; K134-W202 HydrophobicContact CB-CD2 3.8Å; K134-W202 HydrophobicContact CB-CE3 3.87Å; K134-W202 HydrophobicContact CB-CG 4.25Å; K134-W202 HydrophobicContact CB-CH2 4.24Å; K134-W202 HydrophobicContact CB-CZ2 4.15Å; K134-W202 HydrophobicContact CB-CZ3 4.11Å; K134-W202 HydrophobicContact CD-CD2 4.21Å; K134-W202 HydrophobicContact CD-CG 4.38Å; K134-W202 HydrophobicContact CD-CZ2 3.93Å; K134-W202 HydrophobicContact CG-CZ2 4.14Å; K134-D204 IonicContact NZ-OD1 2.82Å; K134-D204 PolarHBondContact NZ-OD1 2.75Å; K134-D204 IonicContact NZ-OD2 2.7Å; K134-D204 PolarHBondContact NZ-OD2 3.14Å
135G89.6Confident87.8Confident2 Ų244.6 Ų44.62%0.02126%0.258CS..THydrogen-bonded Turntrans70.38.5-175.800000115.1R120 I121 S133R120-G135 CarbonylContact C-O 3.34Å; R120-G135 VanDerWaalsContact CA-O 3.25Å; R120-G135 WeakPolarHBondContact CA-O 3.45Å; I121-G135 PolarHBondContact N-O 2.96Å; S133-G135 PolarHBondContact O-N 3.18Å
136K92.6Very high86.9Confident42 Ų4248.8 Ų48.818%0.18328%0.275CS..EExtended strand (participates in β ladder)trans-132.3139.6-178.9-170.9-166.3-179.1-1530110.7N118 F119 R120 S133 K134 S138 T156N118-K136 VanDerWaalsContact CG-CE 3.45Å; N118-K136 WeakPolarHBondContact OD1-CE 3.5Å; N118-K136 PolarHBondContact OD1-NZ 2.76Å; F119-K136 CarbonylContact O-C 3.5Å; F119-K136 WeakPolarHBondContact O-CA 3.27Å; R120-K136 HydrophobicContact CG-CG 4.38Å; S133-K136 CarbonylContact O-C 3.55Å; S133-K136 PolarHBondContact O-N 2.81Å; K134-K136 PolarHBondContact O-N 2.92Å; K136-S138 WeakPolarHBondContact CE-OG 3.49Å; K136-S138 PolarHBondContact NZ-OG 2.79Å; K136-T156 WeakPolarHBondContact O-CA 3.25Å; K136-T156 PolarHBondContact O-OG1 3.47Å
137M94.5Very high85.8Confident0 Ų046.6 Ų46.60%027%0.272CS..EExtended strand (participates in β ladder)trans-121.8124.4163.8177.2177.7-179.800108.6F39 V97 L100 L107 F119 V139 I154 E155F39-M137 HydrophobicContact CE1-CE 3.54Å; F39-M137 HydrophobicContact CZ-CE 3.64Å; V97-M137 HydrophobicContact CG2-CE 3.95Å; V97-M137 HydrophobicContact CG2-SD 3.78Å; L100-M137 HydrophobicContact CD1-CE 3.74Å; L100-M137 HydrophobicContact CD1-SD 3.5Å; L100-M137 VanDerWaalsContact CD1-SD 3.5Å; L107-M137 HydrophobicContact CD1-CB 4.14Å; L107-M137 HydrophobicContact CD1-SD 3.86Å; L107-M137 HydrophobicContact CD2-CB 4.3Å; F119-M137 HydrophobicContact CB-CB 4.34Å; F119-M137 PolarHBondContact N-O 3.16Å; F119-M137 PolarHBondContact O-N 3.01Å; M137-V139 HydrophobicContact CE-CG2 4.05Å; M137-V139 HydrophobicContact CG-CG2 4.42Å; M137-I154 HydrophobicContact CE-CD1 4.4Å; M137-I154 HydrophobicContact CE-CG2 3.42Å; M137-I154 VanDerWaalsContact CE-CG2 3.42Å; M137-I154 HydrophobicContact CG-CG2 4.15Å; M137-E155 CarbonylContact C-O 3.43Å; M137-E155 WeakPolarHBondContact CA-O 3.21Å
138S94.9Very high84.9Confident5 Ų552.2 Ų52.24%0.03531%0.311CS..EExtended strand (participates in β ladder)trans-107.7132.8178-46.80000108.5I117 N118 K136 I154 E155I117-S138 CarbonylContact O-C 3.56Å; N118-S138 PolarHBondContact OD1-OG 3.44Å; K136-S138 WeakPolarHBondContact CE-OG 3.49Å; K136-S138 PolarHBondContact NZ-OG 2.79Å; S138-I154 CarbonylContact O-C 3.43Å; S138-I154 VanDerWaalsContact O-CA 3.24Å; S138-I154 WeakPolarHBondContact O-CA 3.47Å; S138-E155 PolarHBondContact N-O 2.87Å; S138-E155 PolarHBondContact O-N 3.16Å
139V95.9Very high84.5Confident0 Ų053.2 Ų53.20%032%0.318CS..EExtended strand (participates in β ladder)trans-124.7109.3175-1770000107.9Q116 I117 F119 M137 I141 I152 K153 I154Q116-V139 CarbonylContact C-O 3.53Å; Q116-V139 VanDerWaalsContact CA-O 3.29Å; Q116-V139 WeakPolarHBondContact CA-O 3.03Å; I117-V139 PolarHBondContact N-O 2.91Å; I117-V139 PolarHBondContact O-N 3.32Å; F119-V139 HydrophobicContact CE2-CG2 4.3Å; M137-V139 HydrophobicContact CE-CG2 4.05Å; M137-V139 HydrophobicContact CG-CG2 4.42Å; V139-I141 HydrophobicContact CG1-CG1 4.42Å; V139-I152 HydrophobicContact CG1-CD1 3.73Å; V139-I152 HydrophobicContact CG1-CG1 3.98Å; V139-K153 CarbonylContact C-O 3.48Å; V139-K153 WeakPolarHBondContact CA-O 3.32Å; V139-I154 HydrophobicContact CG1-CG1 4.17Å; V139-I154 HydrophobicContact CG2-CG1 4.21Å; V139-I154 HydrophobicContact CG2-CG2 4.31Å
140K95Very high84.3Confident60 Ų6054 Ų5426%0.26132%0.323SS..EExtended strand (participates in β ladder)trans-103.8131.8178.3-164.7178.7-163.8-166.70109.8G115 Q116 E142 I152 K153G115-K140 WeakPolarHBondContact O-CA 3.45Å; Q116-K140 HydrophobicContact CB-CB 4.14Å; Q116-K140 HydrophobicContact CB-CG 4.04Å; Q116-K140 HydrophobicContact CG-CB 4.06Å; Q116-K140 HydrophobicContact CG-CG 4.47Å; K140-E142 HydrophobicContact CD-CG 4.26Å; K140-E142 WeakPolarHBondContact CE-OE1 3.29Å; K140-E142 HydrophobicContact CG-CG 4.2Å; K140-E142 IonicContact NZ-OE1 3.75Å; K140-E142 PolarHBondContact NZ-OE1 2.92Å; K140-I152 CarbonylContact O-C 3.54Å; K140-I152 WeakPolarHBondContact O-CA 3.1Å; K140-K153 HydrophobicContact CB-CB 4.37Å; K140-K153 PolarHBondContact N-O 3.17Å; K140-K153 PolarHBondContact O-N 3.02Å
141I92.4Very high84.6Confident20 Ų2055.8 Ų55.810%0.10333%0.329CS..EExtended strand (participates in β ladder)trans-121.9123.4177.1-58.9-179.5000107.2L80 I89 Q92 G115 V139 P150 Q151 I152L80-I141 HydrophobicContact CD1-CD1 4.15Å; I89-I141 HydrophobicContact CD1-CB 4.49Å; I89-I141 HydrophobicContact CG1-CB 4.46Å; I89-I141 HydrophobicContact CG1-CD1 4.06Å; Q92-I141 HydrophobicContact CB-CD1 3.47Å; Q92-I141 VanDerWaalsContact CB-CD1 3.47Å; Q92-I141 HydrophobicContact CG-CD1 4.32Å; G115-I141 PolarHBondContact O-N 3.27Å; V139-I141 HydrophobicContact CG1-CG1 4.42Å; I141-P150 HydrophobicContact CG2-CB 3.97Å; I141-Q151 WeakPolarHBondContact CA-O 3.46Å; I141-I152 HydrophobicContact CG1-CD1 4.43Å; I141-I152 HydrophobicContact CG1-CG1 4.13Å
142E90Very high85.4Confident101 Ų10149.4 Ų49.447%0.47229%0.288SS..EExtended strand (participates in β ladder)trans-126.5133.2-178.5-67.8-175.9161.700110K140 S144 P150 Q151K140-E142 HydrophobicContact CD-CG 4.26Å; K140-E142 WeakPolarHBondContact CE-OE1 3.29Å; K140-E142 HydrophobicContact CG-CG 4.2Å; K140-E142 IonicContact NZ-OE1 3.75Å; K140-E142 PolarHBondContact NZ-OE1 2.92Å; E142-S144 PolarHBondContact O-N 3.36Å; E142-P150 CarbonylContact O-C 3.58Å; E142-P150 WeakPolarHBondContact O-CA 3Å; E142-Q151 PolarHBondContact N-O 2.83Å; E142-Q151 PolarHBondContact O-N 3.09Å
143D83.3Confident86Confident144 Ų14451.3 Ų51.377%0.7729%0.29SS*.  trans-65127.1172.2-72.4-31.6000109.7
144S72.6Confident86.6Confident34 Ų3450.7 Ų50.724%0.23829%0.285CS..  trans-82135.3176.2-170.80000110.5E142 T146 A147E142-S144 PolarHBondContact O-N 3.36Å; S144-T146 VanDerWaalsContact C-N 3.29Å; S144-T146 PolarHBondContact OG-N 3.07Å; S144-T146 PolarHBondContact OG-OG1 3.47Å; S144-A147 WeakPolarHBondContact OG-CB 3.46Å; S144-A147 PolarHBondContact OG-N 3.32Å
145T70.7Confident86.9Confident147 Ų14752.4 Ų52.490%0.90229%0.293SS*.SBendtrans-80.3-13.8170.654.90000112.6
146T67.5Low87.2Confident133 Ų13352.7 Ų52.782%0.81630%0.295SS*.SBendtrans-120.9-25.4-172.1530000114.1S144S144-T146 VanDerWaalsContact C-N 3.29Å; S144-T146 PolarHBondContact OG-N 3.07Å; S144-T146 PolarHBondContact OG-OG1 3.47Å
147A67.6Low87.2Confident28 Ų2851 Ų5123%0.23129%0.288CS..SBendtrans-100.1151.5179.200000111.4S144 T149S144-A147 WeakPolarHBondContact OG-CB 3.46Å; S144-A147 PolarHBondContact OG-N 3.32Å; A147-T149 PolarHBondContact O-N 3.05Å
148S73.6Confident87Confident125 Ų12551.3 Ų51.387%0.87429%0.289SS*.SBendtrans-71.2-14178.444.50000114.2
149T81.4Confident86.8Confident22 Ų2251.4 Ų51.414%0.13529%0.29CS..SBendtrans-126.1144.4-175.640.60000109.3E79 A147E79-T149 PolarHBondContact OE2-OG1 3.41Å; A147-T149 PolarHBondContact O-N 3.05Å
150P88.2Confident86.3Confident22 Ų2251.5 Ų51.514%0.14329%0.29CS..  trans-57.2145.2172.7-23.433.8000111.3L80 I141 E142L80-P150 HydrophobicContact CB-CB 4.37Å; L80-P150 WeakPolarHBondContact CB-O 3.44Å; L80-P150 PolarHBondContact N-O 3.15Å; I141-P150 HydrophobicContact CG2-CB 3.97Å; E142-P150 CarbonylContact O-C 3.58Å; E142-P150 WeakPolarHBondContact O-CA 3Å
151Q92Very high85.7Confident61 Ų6149 Ų4929%0.28528%0.28SS..EExtended strand (participates in β ladder)trans-83.6142.7174.1-65-72.1-52.400109.5G78 E79 I141 E142G78-Q151 CarbonylContact O-C 3.48Å; G78-Q151 WeakPolarHBondContact O-CA 3.43Å; G78-Q151 PolarHBondContact O-OE1 3.05Å; E79-Q151 VanDerWaalsContact CG-NE2 3.32Å; I141-Q151 WeakPolarHBondContact CA-O 3.46Å; E142-Q151 PolarHBondContact N-O 2.83Å; E142-Q151 PolarHBondContact O-N 3.09Å
152I94.1Very high84.5Confident2 Ų251.9 Ų51.91%0.0129%0.293CS..EExtended strand (participates in β ladder)trans-116136.1173.4-172.7171.4000109.8F76 N77 G78 L80 Y96 V139 K140 I141 I154F76-I152 HydrophobicContact CE1-CG2 4.09Å; N77-I152 CarbonylContact C-O 3.39Å; N77-I152 WeakPolarHBondContact CA-O 3.06Å; G78-I152 PolarHBondContact N-O 3.4Å; G78-I152 PolarHBondContact O-N 2.81Å; L80-I152 HydrophobicContact CD1-CD1 4.3Å; Y96-I152 HydrophobicContact CD2-CD1 3.57Å; Y96-I152 HydrophobicContact CE1-CD1 4.22Å; Y96-I152 HydrophobicContact CE2-CD1 3.14Å; Y96-I152 HydrophobicContact CG-CD1 4.29Å; Y96-I152 VanDerWaalsContact CZ-CD1 3.49Å; V139-I152 HydrophobicContact CG1-CD1 3.73Å; V139-I152 HydrophobicContact CG1-CG1 3.98Å; K140-I152 CarbonylContact O-C 3.54Å; K140-I152 WeakPolarHBondContact O-CA 3.1Å; I141-I152 HydrophobicContact CG1-CD1 4.43Å; I141-I152 HydrophobicContact CG1-CG1 4.13Å; I152-I154 HydrophobicContact CD1-CD1 4.18Å; I152-I154 HydrophobicContact CD1-CG1 4.14Å; I152-I154 HydrophobicContact CG1-CG1 4.13Å
153K95.9Very high83.3Confident93 Ų9348.6 Ų48.640%0.40428%0.28SS..EExtended strand (participates in β ladder)trans-125122.4170.5-178.6171.7-175.4178.90110F76 N77 V139 K140F76-K153 CarbonylContact O-C 3.44Å; F76-K153 WeakPolarHBondContact O-CA 3.43Å; N77-K153 WeakPolarHBondContact OD1-CD 3.27Å; N77-K153 WeakPolarHBondContact OD1-CG 3.17Å; V139-K153 CarbonylContact C-O 3.48Å; V139-K153 WeakPolarHBondContact CA-O 3.32Å; K140-K153 HydrophobicContact CB-CB 4.37Å; K140-K153 PolarHBondContact N-O 3.17Å; K140-K153 PolarHBondContact O-N 3.02Å
154I96.9Very high82.7Confident0 Ų043.5 Ų43.50%026%0.255CS..EExtended strand (participates in β ladder)trans-110.9138175.7-53.4175.6000108.4F39 T75 F76 Y96 M137 S138 V139 I152F39-I154 HydrophobicContact CD1-CD1 3.86Å; F39-I154 HydrophobicContact CD2-CD1 4.46Å; F39-I154 HydrophobicContact CE1-CD1 4.14Å; F39-I154 HydrophobicContact CE1-CG2 4.42Å; F39-I154 HydrophobicContact CE2-CG2 4.06Å; F39-I154 HydrophobicContact CG-CD1 4.05Å; F39-I154 HydrophobicContact CZ-CG2 3.93Å; T75-I154 CarbonylContact C-O 3.22Å; T75-I154 VanDerWaalsContact CA-O 3.27Å; T75-I154 WeakPolarHBondContact CA-O 3.32Å; F76-I154 HydrophobicContact CB-CB 4.11Å; F76-I154 HydrophobicContact CD1-CD1 3.96Å; F76-I154 HydrophobicContact CD1-CG1 4.18Å; F76-I154 PolarHBondContact N-O 2.51Å; F76-I154 PolarHBondContact O-N 3.06Å; Y96-I154 HydrophobicContact CD1-CD1 3.51Å; Y96-I154 HydrophobicContact CD2-CD1 4.33Å; Y96-I154 HydrophobicContact CE1-CD1 4.14Å; Y96-I154 HydrophobicContact CG-CD1 3.61Å; M137-I154 HydrophobicContact CE-CD1 4.4Å; M137-I154 HydrophobicContact CE-CG2 3.42Å; M137-I154 VanDerWaalsContact CE-CG2 3.42Å; M137-I154 HydrophobicContact CG-CG2 4.15Å; S138-I154 CarbonylContact O-C 3.43Å; S138-I154 VanDerWaalsContact O-CA 3.24Å; S138-I154 WeakPolarHBondContact O-CA 3.47Å; V139-I154 HydrophobicContact CG1-CG1 4.17Å; V139-I154 HydrophobicContact CG2-CG1 4.21Å; V139-I154 HydrophobicContact CG2-CG2 4.31Å; I152-I154 HydrophobicContact CD1-CD1 4.18Å; I152-I154 HydrophobicContact CD1-CG1 4.14Å; I152-I154 HydrophobicContact CG1-CG1 4.13Å
155E96.2Very high82.2Confident60 Ų6043.9 Ų43.928%0.2825%0.254SS..EExtended strand (participates in β ladder)trans-134.7122.8173.4-167.4-171.2108.100109.7L73 V74 S133 M137 S138L73-E155 HydrophobicContact CD1-CG 3.47Å; L73-E155 VanDerWaalsContact CD1-CG 3.47Å; L73-E155 HydrophobicContact CG-CG 4.32Å; V74-E155 CarbonylContact O-C 3.49Å; V74-E155 VanDerWaalsContact O-CA 3.28Å; V74-E155 WeakPolarHBondContact O-CA 3.26Å; S133-E155 PolarHBondContact OG-OE1 3.1Å; M137-E155 CarbonylContact C-O 3.43Å; M137-E155 WeakPolarHBondContact CA-O 3.21Å; S138-E155 PolarHBondContact N-O 2.87Å; S138-E155 PolarHBondContact O-N 3.16Å
156T95.5Very high81.4Confident8 Ų840.3 Ų40.35%0.04923%0.233CC..EExtended strand (participates in β ladder)trans-145.7170.6178.5-170.70000110.6F35 F39 L73 V74 K136F35-T156 HydrophobicContact CD1-CG2 4.17Å; F35-T156 HydrophobicContact CE1-CG2 3.64Å; F35-T156 HydrophobicContact CZ-CG2 4.36Å; F39-T156 HydrophobicContact CE2-CG2 4.46Å; F39-T156 HydrophobicContact CZ-CG2 4.41Å; L73-T156 WeakPolarHBondContact CD1-O 3.44Å; V74-T156 HydrophobicContact CB-CG2 3.83Å; V74-T156 HydrophobicContact CG1-CG2 4.31Å; V74-T156 HydrophobicContact CG2-CG2 4.42Å; V74-T156 PolarHBondContact N-O 3.18Å; V74-T156 PolarHBondContact O-N 2.92Å; K136-T156 WeakPolarHBondContact O-CA 3.25Å; K136-T156 PolarHBondContact O-OG1 3.47Å
157S92.8Very high81.4Confident5 Ų535.3 Ų35.34%0.03520%0.203CC..EExtended strand (participates in β ladder)trans-87.8150.6170.9-170.20000112R72 D159R72-S157 VanDerWaalsContact O-CA 3.3Å; R72-S157 WeakPolarHBondContact O-CA 3.43Å; R72-S157 PolarHBondContact O-OG 2.99Å; S157-D159 PolarHBondContact O-N 3.23Å; S157-D159 PolarHBondContact OG-N 3.15Å
158M91.2Very high81.7Confident7 Ų741 Ų413%0.03423%0.23CC..SBendtrans-65.4-19.5163.5-61.5179.662.700111.5T29 Q30 M67 E69 R72 V74T29-M158 HydrophobicContact CG2-CB 4.25Å; T29-M158 HydrophobicContact CG2-CE 3.84Å; Q30-M158 PolarHBondContact N-O 3.44Å; M67-M158 HydrophobicContact CB-SD 4.41Å; M67-M158 HydrophobicContact CE-CE 3.44Å; M67-M158 VanDerWaalsContact CE-CE 3.44Å; M67-M158 HydrophobicContact CE-CG 3.7Å; M67-M158 HydrophobicContact CE-SD 3.83Å; E69-M158 HydrophobicContact CG-CE 3.84Å; E69-M158 HydrophobicContact CG-SD 3.96Å; R72-M158 PolarHBondContact O-N 3.31Å; V74-M158 HydrophobicContact CG2-CB 4.38Å; V74-M158 HydrophobicContact CG2-CG 3.41Å; V74-M158 VanDerWaalsContact CG2-CG 3.41Å
159D89.1Confident82.1Confident7 Ų740.5 Ų40.54%0.03721%0.214CC..EExtended strand (participates in β ladder)trans-102.5132.5-167.9-60.513.5000109R72 S157 W202R72-D159 IonicContact CZ-OD1 2.8Å; R72-D159 IonicContact CZ-OD2 2.81Å; R72-D159 IonicContact NE-OD1 3.78Å; R72-D159 PolarHBondContact NE-OD1 2.73Å; R72-D159 IonicContact NE-OD2 2.85Å; R72-D159 PolarHBondContact NE-OD2 2.88Å; R72-D159 IonicContact NH1-OD1 3.74Å; R72-D159 PolarHBondContact NH1-OD1 3.49Å; R72-D159 IonicContact NH2-OD1 3.28Å; R72-D159 PolarHBondContact NH2-OD1 3.09Å; R72-D159 IonicContact NH2-OD2 3.17Å; R72-D159 PolarHBondContact NH2-OD2 3.12Å; S157-D159 PolarHBondContact O-N 3.23Å; S157-D159 PolarHBondContact OG-N 3.15Å; D159-W202 HydrophobicContact CB-CH2 3.96Å; D159-W202 HydrophobicContact CB-CZ2 4.01Å
160T86.4Confident82.4Confident2 Ų244.7 Ų44.71%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-128.4148.6172.6-174.20000110.1T28 Q30 A103 V104 G105 Q162T28-T160 PolarHBondContact N-O 3.42Å; T28-T160 PolarHBondContact O-N 3.16Å; Q30-T160 HydrophobicContact CG-CG2 4.03Å; A103-T160 WeakPolarHBondContact O-CG2 3.2Å; V104-T160 PolarHBondContact O-OG1 2.68Å; G105-T160 PolarHBondContact N-OG1 3.1Å; T160-Q162 HydrophobicContact CG2-CG 3.81Å
161V81.6Confident82.3Confident7 Ų745.7 Ų45.74%0.04224%0.237CC..EExtended strand (participates in β ladder)trans-86.6110.1168.4-74.90000107.7Y25 L27 I121 V123 I128 W202 V212Y25-V161 HydrophobicContact CD1-CB 3.75Å; Y25-V161 HydrophobicContact CD1-CG1 4.42Å; Y25-V161 HydrophobicContact CE1-CB 4.39Å; Y25-V161 HydrophobicContact CG-CB 3.85Å; Y25-V161 HydrophobicContact CG-CG1 4.01Å; L27-V161 HydrophobicContact CD2-CG1 3.77Å; I121-V161 HydrophobicContact CD1-CG2 4.37Å; I121-V161 HydrophobicContact CG2-CG2 3.96Å; V123-V161 HydrophobicContact CG2-CG2 4.44Å; I128-V161 HydrophobicContact CD1-CG2 3.38Å; V161-W202 HydrophobicContact CB-CZ3 4.49Å; V161-W202 HydrophobicContact CG1-CE3 4.1Å; V161-W202 HydrophobicContact CG1-CH2 3.84Å; V161-W202 HydrophobicContact CG1-CZ2 4.43Å; V161-W202 HydrophobicContact CG1-CZ3 3.65Å; V161-W202 HydrophobicContact CG2-CZ3 4.32Å; V161-V212 HydrophobicContact CG1-CG1 3.59Å
162Q67.7Low82.4Confident82 Ų8246.5 Ų46.538%0.38324%0.241SC..EExtended strand (participates in β ladder)trans-112.5-40.1176.1-79.6179.4-16.500112.1T28 A103 T160 P164T28-Q162 PolarHBondContact OG1-OE1 2.87Å; A103-Q162 PolarHBondContact O-NE2 2.9Å; T160-Q162 HydrophobicContact CG2-CG 3.81Å; Q162-P164 WeakPolarHBondContact O-CD 3.28Å
163V65.4Low82.2Confident32 Ų3246.6 Ų46.619%0.19424%0.242CC..EExtended strand (participates in β ladder)trans-108.696.8-162.7175.60000109.7Y25 I26 E552Y25-V163 CarbonylContact C-O 3.59Å; Y25-V163 WeakPolarHBondContact CA-O 3.35Å; Y25-V163 VanDerWaalsContact CD1-C 3.44Å; Y25-V163 WeakPolarHBondContact CD1-O 3.16Å; I26-V163 HydrophobicContact CB-CB 3.97Å; I26-V163 HydrophobicContact CB-CG1 4.03Å; I26-V163 HydrophobicContact CD1-CG1 4.07Å; I26-V163 HydrophobicContact CG1-CG1 4.15Å; I26-V163 PolarHBondContact N-O 3.41Å; V163-E552 HydrophobicContact CG1-CG 3.86Å; V163-E552 WeakPolarHBondContact CG1-OE1 3.48Å
164P70.6Confident82Confident37 Ų3743 Ų4324%0.2423%0.228CC..EExtended strand (participates in β ladder)trans-68.1135.3178.226.2-34.1000112.5Y25 Q162 E552Y25-P164 HydrophobicContact CD1-CB 4.11Å; Y25-P164 HydrophobicContact CE1-CB 3.56Å; Y25-P164 HydrophobicContact CE1-CG 4.13Å; Y25-P164 HydrophobicContact CE2-CB 4.34Å; Q162-P164 WeakPolarHBondContact O-CD 3.28Å; P164-E552 WeakPolarHBondContact CD-OE2 3.41Å; P164-E552 WeakPolarHBondContact CG-OE2 3.48Å; P164-E552 VanDerWaalsContact O-OE2 3.07Å
165I62.5Low81.7Confident42 Ų4243.4 Ų43.422%0.21523%0.231CC..EExtended strand (participates in β ladder)trans-95.5118.4168-61.7176.9000107.4S24 I26 S167 L211S24-I165 WeakPolarHBondContact O-CA 3.33Å; S24-I165 WeakPolarHBondContact O-CB 3.41Å; S24-I165 PolarHBondContact O-N 2.92Å; I26-I165 HydrophobicContact CD1-CD1 4.49Å; I26-I165 HydrophobicContact CG1-CD1 3.86Å; I26-I165 HydrophobicContact CG1-CG1 4.17Å; I165-S167 PolarHBondContact O-N 2.83Å; I165-L211 HydrophobicContact CD1-CD1 3.13Å; I165-L211 HydrophobicContact CD1-CG 4.16Å
166P52.8Low81.4Confident71 Ų7140.6 Ų40.646%0.46122%0.218SC..PPolyproline II helixtrans-56.4128.1178.1-2230.7000111R555 M556P166-R555 HydrophobicContact CG-CB 4.07Å; P166-M556 HydrophobicContact CG-SD 4.08Å
167S68Low81.1Confident29 Ų2945 Ų4520%0.20324%0.24CC..  trans-140.2139.3171.7-178.70000109.3I165 E169I165-S167 PolarHBondContact O-N 2.83Å; S167-E169 WeakPolarHBondContact OG-CB 3.32Å; S167-E169 PolarHBondContact OG-N 2.84Å; S167-E169 VanDerWaalsContact OG-N 3.15Å
168D74.3Confident80.9Confident146 Ų14647.6 Ų47.678%0.78125%0.252SS*.  trans-95.76.4171.5-71.7-36.8000111.9K21 E170K21-D168 IonicContact NZ-OD1 2.73Å; D168-E170 PolarHBondContact O-N 2.82Å
169E81.8Confident80.7Confident116 Ų11647.3 Ų47.354%0.54225%0.25SS..  trans-65.8127.4174.1-71.2-171.3166.700110.3K21 K22 S167K21-E169 CarbonylContact C-O 3.5Å; K21-E169 WeakPolarHBondContact CA-O 3.17Å; K22-E169 HydrophobicContact CB-CB 4.17Å; K22-E169 PolarHBondContact N-O 2.6Å; K22-E169 IonicContact NZ-OE2 2.81Å; S167-E169 WeakPolarHBondContact OG-CB 3.32Å; S167-E169 PolarHBondContact OG-N 2.84Å; S167-E169 VanDerWaalsContact OG-N 3.15Å
170E86.5Confident80.6Confident109 Ų10947.7 Ų47.751%0.50925%0.252SS..EExtended strand (participates in β ladder)trans-114.4140.9173.5-70.1-175.6170.500110.5L20 K21 D168L20-E170 CarbonylContact O-C 3.46Å; L20-E170 WeakPolarHBondContact O-CA 3.47Å; K21-E170 HydrophobicContact CG-CG 4.03Å; D168-E170 PolarHBondContact O-N 2.82Å
171V88.1Confident80.6Confident44 Ų4452.2 Ų52.227%0.26728%0.276SS..EExtended strand (participates in β ladder)trans-106128.1169.8-179.70000108.1R19 L20 K22 L173 T215 P216R19-V171 WeakPolarHBondContact CA-O 3.46Å; L20-V171 PolarHBondContact N-O 3.27Å; L20-V171 PolarHBondContact O-N 3.49Å; K22-V171 HydrophobicContact CB-CG2 4.47Å; V171-L173 HydrophobicContact CG1-CD2 4.17Å; V171-T215 HydrophobicContact CG2-CG2 4.23Å; V171-P216 HydrophobicContact CB-CG 4.06Å; V171-P216 HydrophobicContact CG2-CG 4.33Å
172E92.1Very high80.6Confident77 Ų7754.2 Ų54.236%0.3629%0.29SS..EExtended strand (participates in β ladder)trans-91.7107.9172.4-171.4178.3-90.200109.3R17 V18 R19R17-E172 HydrophobicContact CB-CG 3.9Å; R17-E172 WeakPolarHBondContact CD-OE2 3.1Å; R17-E172 IonicContact CZ-OE2 2.81Å; R17-E172 IonicContact NE-OE2 2.88Å; R17-E172 IonicContact NH1-OE2 3.46Å; R17-E172 PolarHBondContact NH1-OE2 3.06Å; V18-E172 CarbonylContact O-C 3.49Å; R19-E172 HydrophobicContact CG-CB 3.99Å; R19-E172 HydrophobicContact CG-CG 3.91Å; R19-E172 IonicContact CZ-OE1 3.99Å; R19-E172 VanDerWaalsContact CZ-OE1 3.31Å; R19-E172 IonicContact NE-OE1 3.18Å; R19-E172 PolarHBondContact NE-OE1 3.22Å; R19-E172 IonicContact NH2-OE1 3.09Å; R19-E172 PolarHBondContact NH2-OE1 2.8Å
173L90.9Very high81.3Confident5 Ų550.8 Ų50.83%0.02627%0.274CS..EExtended strand (participates in β ladder)trans-78.2139.9174.9-62.6-177.6000111.1R17 V18 L20 V171 I198 P216R17-L173 CarbonylContact C-O 3.6Å; R17-L173 VanDerWaalsContact CA-O 3.25Å; R17-L173 WeakPolarHBondContact CA-O 3.37Å; R17-L173 WeakPolarHBondContact CB-O 3.5Å; V18-L173 HydrophobicContact CB-CB 4.49Å; V18-L173 PolarHBondContact N-O 3.25Å; V18-L173 WeakPolarHBondContact O-CB 3.16Å; V18-L173 PolarHBondContact O-N 3.22Å; L20-L173 HydrophobicContact CD1-CD1 3.93Å; V171-L173 HydrophobicContact CG1-CD2 4.17Å; L173-I198 HydrophobicContact CD1-CB 4.45Å; L173-I198 HydrophobicContact CD1-CD1 4.26Å; L173-I198 HydrophobicContact CD1-CG1 4.15Å; L173-I198 HydrophobicContact CD1-CG2 3.55Å; L173-P216 HydrophobicContact CD1-CB 4.33Å; L173-P216 WeakPolarHBondContact CD2-O 3.01Å
174P91Very high82.1Confident17 Ų1751.5 Ų51.511%0.1128%0.284CS..PPolyproline II helixtrans-60.6159.1173.626.8-34.9000111.7E178 V179 W218 W229P174-E178 WeakPolarHBondContact CA-OE2 3.49Å; P174-E178 HydrophobicContact CB-CB 3.71Å; P174-E178 HydrophobicContact CB-CG 4.5Å; P174-V179 HydrophobicContact CB-CG2 4.35Å; P174-V179 HydrophobicContact CG-CG2 3.74Å; P174-W218 PolarHBondContact O-NE1 3.08Å; P174-W229 HydrophobicContact CG-CE3 4.49Å; P174-W229 HydrophobicContact CG-CH2 3.57Å; P174-W229 HydrophobicContact CG-CZ2 4.15Å; P174-W229 HydrophobicContact CG-CZ3 3.75Å
175S91.9Very high82.5Confident9 Ų954 Ų546%0.06331%0.307CS..PPolyproline II helixtrans-62.8155.6167.461.60000110.9T14 L177 E178 V179T14-S175 WeakPolarHBondContact OG1-CA 3.2Å; S175-L177 PolarHBondContact O-N 2.91Å; S175-L177 VanDerWaalsContact O-N 3.12Å; S175-E178 PolarHBondContact N-OE2 3.15Å; S175-E178 WeakPolarHBondContact O-CB 3.25Å; S175-E178 PolarHBondContact O-N 2.97Å; S175-E178 WeakPolarHBondContact OG-CG 3.45Å; S175-E178 PolarHBondContact OG-N 2.88Å; S175-E178 PolarHBondContact OG-OE2 2.66Å; S175-V179 PolarHBondContact O-N 2.9Å; S175-V179 VanDerWaalsContact O-N 3.12Å
176T89.7Confident83.1Confident1 Ų157.6 Ų57.61%0.00633%0.331CS..Hα-helixtrans-59.8-27.5177.353.70000112.4R13 T14 V179 E180 F196 W218R13-T176 WeakPolarHBondContact CA-OG1 3.4Å; R13-T176 VanDerWaalsContact CB-OG1 3.24Å; R13-T176 WeakPolarHBondContact CB-OG1 3.42Å; T14-T176 HydrophobicContact CG2-CG2 4.33Å; T14-T176 PolarHBondContact N-OG1 3.08Å; T14-T176 PolarHBondContact O-N 3.35Å; T14-T176 PolarHBondContact O-OG1 3.45Å; T14-T176 PolarHBondContact OG1-N 2.9Å; T176-V179 PolarHBondContact O-N 2.92Å; T176-E180 WeakPolarHBondContact O-CB 3.35Å; T176-E180 WeakPolarHBondContact O-CG 3.46Å; T176-E180 PolarHBondContact O-N 3.43Å; T176-F196 HydrophobicContact CG2-CB 3.84Å; T176-F196 HydrophobicContact CG2-CD1 4.36Å; T176-F196 HydrophobicContact CG2-CD2 3.92Å; T176-F196 HydrophobicContact CG2-CG 3.78Å; T176-W218 HydrophobicContact CG2-CH2 3.51Å; T176-W218 HydrophobicContact CG2-CZ2 3.77Å; T176-W218 HydrophobicContact CG2-CZ3 4.07Å
177L87.9Confident84.5Confident99 Ų9957.4 Ų57.452%0.51834%0.342SS..Hα-helixtrans-66-41.2175.1-177.864.6000112S175 V179 E180 N181S175-L177 PolarHBondContact O-N 2.91Å; S175-L177 VanDerWaalsContact O-N 3.12Å; L177-V179 VanDerWaalsContact C-N 3.31Å; L177-E180 PolarHBondContact O-N 2.74Å; L177-N181 WeakPolarHBondContact O-CB 3.19Å; L177-N181 PolarHBondContact O-N 2.68Å; L177-N181 PolarHBondContact O-ND2 2.76Å; L177-N181 VanDerWaalsContact O-ND2 3.13Å
178E89Confident85.1Confident61 Ų6159.3 Ų59.329%0.28535%0.347SS..Hα-helixtrans-64.8-37.7174.6-75.1167.711800111.2R17 P174 S175 S182R17-E178 IonicContact CZ-OE1 2.86Å; R17-E178 IonicContact NE-OE1 2.67Å; R17-E178 PolarHBondContact NE-OE1 3.33Å; R17-E178 IonicContact NE-OE2 3.3Å; R17-E178 PolarHBondContact NE-OE2 2.6Å; R17-E178 IonicContact NH2-OE1 2.66Å; R17-E178 PolarHBondContact NH2-OE1 2.71Å; P174-E178 WeakPolarHBondContact CA-OE2 3.49Å; P174-E178 HydrophobicContact CB-CB 3.71Å; P174-E178 HydrophobicContact CB-CG 4.5Å; S175-E178 PolarHBondContact N-OE2 3.15Å; S175-E178 WeakPolarHBondContact O-CB 3.25Å; S175-E178 PolarHBondContact O-N 2.97Å; S175-E178 WeakPolarHBondContact OG-CG 3.45Å; S175-E178 PolarHBondContact OG-N 2.88Å; S175-E178 PolarHBondContact OG-OE2 2.66Å; E178-S182 WeakPolarHBondContact O-CB 3.47Å; E178-S182 PolarHBondContact O-N 3.27Å; E178-S182 PolarHBondContact O-OG 3.41Å
179V87.2Confident85.6Confident0 Ų056 Ų560%033%0.329CS..Hα-helixtrans-65.6-48.6173.7-177.40000111.1P174 S175 T176 L177 N181 S182 L183 F196 W218 V220 W229P174-V179 HydrophobicContact CB-CG2 4.35Å; P174-V179 HydrophobicContact CG-CG2 3.74Å; S175-V179 PolarHBondContact O-N 2.9Å; S175-V179 VanDerWaalsContact O-N 3.12Å; T176-V179 PolarHBondContact O-N 2.92Å; L177-V179 VanDerWaalsContact C-N 3.31Å; V179-N181 VanDerWaalsContact C-N 3.34Å; V179-N181 PolarHBondContact O-N 2.74Å; V179-S182 WeakPolarHBondContact O-CB 3.31Å; V179-S182 PolarHBondContact O-N 2.86Å; V179-S182 VanDerWaalsContact O-N 3.11Å; V179-L183 HydrophobicContact CG1-CD1 4.19Å; V179-L183 HydrophobicContact CG1-CG 4.41Å; V179-L183 WeakPolarHBondContact O-CG 3.39Å; V179-L183 PolarHBondContact O-N 3.35Å; V179-F196 HydrophobicContact CB-CE1 4.27Å; V179-F196 HydrophobicContact CG1-CD1 4.19Å; V179-F196 HydrophobicContact CG1-CE1 3.79Å; V179-W218 HydrophobicContact CG2-CB 4.38Å; V179-W218 VanDerWaalsContact CG2-CD1 3.47Å; V179-W218 HydrophobicContact CG2-CD2 4.38Å; V179-W218 HydrophobicContact CG2-CG 3.85Å; V179-V220 HydrophobicContact CG1-CG2 4.17Å; V179-W229 HydrophobicContact CG1-CG 4.12Å
180E87.3Confident85.7Confident16 Ų1653.3 Ų53.38%0.07532%0.318CS..Hα-helixtrans-55.5-47.3176.2-78.4175.3153.400111.4R13 T176 L177 S182 L183 A184 L190 F196R13-E180 IonicContact CZ-OE1 3.46Å; R13-E180 VanDerWaalsContact CZ-OE1 3.3Å; R13-E180 IonicContact NE-OE1 2.85Å; R13-E180 PolarHBondContact NE-OE1 2.94Å; R13-E180 IonicContact NE-OE2 2.87Å; R13-E180 PolarHBondContact NE-OE2 3.14Å; R13-E180 IonicContact NH2-OE1 3.43Å; R13-E180 PolarHBondContact NH2-OE1 3.25Å; T176-E180 WeakPolarHBondContact O-CB 3.35Å; T176-E180 WeakPolarHBondContact O-CG 3.46Å; T176-E180 PolarHBondContact O-N 3.43Å; L177-E180 PolarHBondContact O-N 2.74Å; E180-S182 VanDerWaalsContact C-N 3.3Å; E180-S182 PolarHBondContact O-N 3.04Å; E180-L183 PolarHBondContact O-N 2.93Å; E180-A184 WeakPolarHBondContact O-CB 3.48Å; E180-A184 PolarHBondContact O-N 2.73Å; E180-L190 HydrophobicContact CB-CD1 4.19Å; E180-L190 HydrophobicContact CB-CD2 4.18Å; E180-L190 HydrophobicContact CG-CD2 4.29Å; E180-F196 HydrophobicContact CG-CE1 4.32Å; E180-F196 HydrophobicContact CG-CE2 3.85Å; E180-F196 HydrophobicContact CG-CZ 3.36Å
181N85.9Confident85.7Confident97 Ų9755.4 Ų55.452%0.51933%0.333SS..Hα-helixtrans-61.8-39.5177.4-71.5-28.1000111.8L177 V179 A185L177-N181 WeakPolarHBondContact O-CB 3.19Å; L177-N181 PolarHBondContact O-N 2.68Å; L177-N181 PolarHBondContact O-ND2 2.76Å; L177-N181 VanDerWaalsContact O-ND2 3.13Å; V179-N181 VanDerWaalsContact C-N 3.34Å; V179-N181 PolarHBondContact O-N 2.74Å; N181-A185 WeakPolarHBondContact O-CB 2.96Å; N181-A185 PolarHBondContact O-N 2.74Å
182S82.2Confident85.4Confident48 Ų4857.4 Ų57.434%0.33634%0.338SS..Hα-helixtrans-66.9-42.7177.7-57.70000111.5E178 V179 E180 A185 V186E178-S182 WeakPolarHBondContact O-CB 3.47Å; E178-S182 PolarHBondContact O-N 3.27Å; E178-S182 PolarHBondContact O-OG 3.41Å; V179-S182 WeakPolarHBondContact O-CB 3.31Å; V179-S182 PolarHBondContact O-N 2.86Å; V179-S182 VanDerWaalsContact O-N 3.11Å; E180-S182 VanDerWaalsContact C-N 3.3Å; E180-S182 PolarHBondContact O-N 3.04Å; S182-A185 PolarHBondContact O-N 2.95Å; S182-V186 WeakPolarHBondContact O-CG2 3.47Å; S182-V186 PolarHBondContact O-N 3.25Å
183L82.5Confident85.1Confident10 Ų1054.4 Ų54.45%0.05233%0.325CS..Hα-helixtrans-62.9-48.1176.1-73.3174.2000111.7V179 E180 A185 V186 G187 F188 L190 V193 F196 V220 I227V179-L183 HydrophobicContact CG1-CD1 4.19Å; V179-L183 HydrophobicContact CG1-CG 4.41Å; V179-L183 WeakPolarHBondContact O-CG 3.39Å; V179-L183 PolarHBondContact O-N 3.35Å; E180-L183 PolarHBondContact O-N 2.93Å; L183-A185 VanDerWaalsContact C-N 3.28Å; L183-A185 PolarHBondContact O-N 2.81Å; L183-V186 PolarHBondContact O-N 3.47Å; L183-V186 VanDerWaalsContact O-N 3.15Å; L183-G187 PolarHBondContact O-N 3.1Å; L183-F188 HydrophobicContact CB-CB 4.03Å; L183-F188 HydrophobicContact CB-CG 4.47Å; L183-F188 HydrophobicContact CD2-CD2 3.96Å; L183-F188 HydrophobicContact CD2-CE2 4.3Å; L183-F188 HydrophobicContact CD2-CG 4.13Å; L183-F188 WeakPolarHBondContact O-CB 3.31Å; L183-F188 PolarHBondContact O-N 3.23Å; L183-L190 HydrophobicContact CB-CD2 4.18Å; L183-V193 HydrophobicContact CD1-CG2 4.44Å; L183-F196 HydrophobicContact CD1-CE1 4.26Å; L183-V220 HydrophobicContact CD1-CB 4.48Å; L183-V220 HydrophobicContact CD1-CG1 4.04Å; L183-V220 HydrophobicContact CD1-CG2 4.13Å; L183-I227 HydrophobicContact CD2-CD1 4.27Å
184A81.2Confident84.7Confident47 Ų4757.8 Ų57.839%0.38834%0.341SS..Hα-helixtrans-61.4-37.6178.400000111.9E180 V186 G187 L190E180-A184 WeakPolarHBondContact O-CB 3.48Å; E180-A184 PolarHBondContact O-N 2.73Å; A184-V186 VanDerWaalsContact C-N 3.26Å; A184-V186 PolarHBondContact O-N 2.82Å; A184-G187 PolarHBondContact O-N 3.43Å; A184-L190 HydrophobicContact CB-CD1 4.19Å; A184-L190 HydrophobicContact CB-CG 4.31Å
185A78.9Confident84.4Confident89 Ų8958.4 Ų58.474%0.73635%0.346SS*.Hα-helixtrans-64.1-29.4177.500000113.4N181 S182 L183 G187N181-A185 WeakPolarHBondContact O-CB 2.96Å; N181-A185 PolarHBondContact O-N 2.74Å; S182-A185 PolarHBondContact O-N 2.95Å; L183-A185 VanDerWaalsContact C-N 3.28Å; L183-A185 PolarHBondContact O-N 2.81Å; A185-G187 VanDerWaalsContact C-N 3.34Å
186V76.9Confident84.2Confident119 Ų11959 Ų5972%0.72135%0.347SS*.THydrogen-bonded Turntrans-91-0.9176.6-171.30000111.7S182 L183 A184 F188S182-V186 WeakPolarHBondContact O-CG2 3.47Å; S182-V186 PolarHBondContact O-N 3.25Å; L183-V186 PolarHBondContact O-N 3.47Å; L183-V186 VanDerWaalsContact O-N 3.15Å; A184-V186 VanDerWaalsContact C-N 3.26Å; A184-V186 PolarHBondContact O-N 2.82Å; V186-F188 HydrophobicContact CB-CD2 4.47Å; V186-F188 HydrophobicContact CG1-CE2 4.48Å
187G81.9Confident84.1Confident67 Ų6760.7 Ų60.769%0.69136%0.356SS*.THydrogen-bonded Turntrans96.914.5172.300000115.7L183 A184 A185L183-G187 PolarHBondContact O-N 3.1Å; A184-G187 PolarHBondContact O-N 3.43Å; A185-G187 VanDerWaalsContact C-N 3.34Å
188F80Confident84.2Confident68 Ų6857.1 Ų57.130%0.29834%0.337SS..  trans-72.5141.2172.3-75.5-96.4000111.5L183 V186 L190 Y222 I227L183-F188 HydrophobicContact CB-CB 4.03Å; L183-F188 HydrophobicContact CB-CG 4.47Å; L183-F188 HydrophobicContact CD2-CD2 3.96Å; L183-F188 HydrophobicContact CD2-CE2 4.3Å; L183-F188 HydrophobicContact CD2-CG 4.13Å; L183-F188 WeakPolarHBondContact O-CB 3.31Å; L183-F188 PolarHBondContact O-N 3.23Å; V186-F188 HydrophobicContact CB-CD2 4.47Å; V186-F188 HydrophobicContact CG1-CE2 4.48Å; F188-L190 PolarHBondContact O-N 2.96Å; F188-Y222 HydrophobicContact CB-CE2 4.22Å; F188-Y222 HydrophobicContact CD1-CD1 4.34Å; F188-Y222 AromaticContact CD1-CD2 3.94Å; F188-Y222 HydrophobicContact CD1-CD2 3.94Å; F188-Y222 HydrophobicContact CD1-CE1 4.14Å; F188-Y222 AromaticContact CD1-CE2 3.68Å; F188-Y222 HydrophobicContact CD1-CE2 3.68Å; F188-Y222 HydrophobicContact CD1-CG 4.24Å; F188-Y222 AromaticContact CD1-CZ 3.79Å; F188-Y222 HydrophobicContact CE1-CD1 4.44Å; F188-Y222 HydrophobicContact CE1-CE1 4.43Å; F188-Y222 HydrophobicContact CG-CE2 4.46Å; F188-I227 HydrophobicContact CD1-CD1 3.96Å; F188-I227 HydrophobicContact CE1-CD1 3.44Å; F188-I227 VanDerWaalsContact CE1-CD1 3.44Å; F188-I227 HydrophobicContact CZ-CD1 3.93Å
189D84.5Confident84.3Confident76 Ų7654.2 Ų54.241%0.40632%0.323SS..  trans-82.7109.8174-176.7-2.2000110.3D191 K192 Y222D189-D191 PolarHBondContact O-N 2.98Å; D189-D191 VanDerWaalsContact O-N 3.16Å; D189-D191 WeakPolarHBondContact OD1-CB 3.25Å; D189-D191 PolarHBondContact OD1-N 3.32Å; D189-D191 VanDerWaalsContact OD1-N 3.08Å; D189-K192 HydrophobicContact CB-CD 4.34Å; D189-K192 HydrophobicContact CB-CG 4.29Å; D189-K192 WeakPolarHBondContact O-CB 3.43Å; D189-K192 PolarHBondContact O-N 3.48Å; D189-Y222 VanDerWaalsContact O-CE2 3.28Å; D189-Y222 WeakPolarHBondContact O-CE2 2.98Å
190L84.8Confident84.5Confident61 Ų6154.3 Ų54.332%0.31932%0.324SS..G310 helixtrans-63.4-22.2-176.7-63.4-177.7000113.1E180 L183 A184 F188 K192 V193E180-L190 HydrophobicContact CB-CD1 4.19Å; E180-L190 HydrophobicContact CB-CD2 4.18Å; E180-L190 HydrophobicContact CG-CD2 4.29Å; L183-L190 HydrophobicContact CB-CD2 4.18Å; A184-L190 HydrophobicContact CB-CD1 4.19Å; A184-L190 HydrophobicContact CB-CG 4.31Å; F188-L190 PolarHBondContact O-N 2.96Å; L190-K192 PolarHBondContact O-N 3.46Å; L190-V193 HydrophobicContact CD2-CG2 4.35Å; L190-V193 WeakPolarHBondContact O-CB 3.39Å; L190-V193 PolarHBondContact O-N 3.2Å; L190-V193 VanDerWaalsContact O-N 3.14Å
191D85.5Confident84.7Confident153 Ų15353.9 Ų53.982%0.81832%0.322SS*.G310 helixtrans-70.4-17.4177.1-68.9-24.8000112.3D189D189-D191 PolarHBondContact O-N 2.98Å; D189-D191 VanDerWaalsContact O-N 3.16Å; D189-D191 WeakPolarHBondContact OD1-CB 3.25Å; D189-D191 PolarHBondContact OD1-N 3.32Å; D189-D191 VanDerWaalsContact OD1-N 3.08Å
192K83Confident84.9Confident85 Ų8549.7 Ų49.737%0.3730%0.299SS..G310 helixtrans-89.4-4.3174.2-67.3-173.2166.2-1500113.8D189 L190 Q194 Y222 D223D189-K192 HydrophobicContact CB-CD 4.34Å; D189-K192 HydrophobicContact CB-CG 4.29Å; D189-K192 WeakPolarHBondContact O-CB 3.43Å; D189-K192 PolarHBondContact O-N 3.48Å; L190-K192 PolarHBondContact O-N 3.46Å; K192-Q194 PolarHBondContact O-N 2.87Å; K192-Y222 HydrophobicContact CB-CD2 3.9Å; K192-Y222 HydrophobicContact CB-CE1 4.44Å; K192-Y222 HydrophobicContact CB-CE2 3.48Å; K192-Y222 VanDerWaalsContact CB-CE2 3.48Å; K192-Y222 HydrophobicContact CD-CE1 4.24Å; K192-Y222 HydrophobicContact CD-CE2 4.31Å; K192-Y222 WeakPolarHBondContact CD-OH 3.38Å; K192-Y222 HydrophobicContact CG-CE2 4.48Å; K192-D223 HydrophobicContact CD-CB 4.45Å; K192-D223 IonicContact NZ-OD2 3.33Å; K192-D223 PolarHBondContact NZ-OD2 3.3Å; K192-D223 PolarHBondContact O-N 2.8Å; K192-D223 VanDerWaalsContact O-N 3.1Å
193V84.2Confident85Confident15 Ų1550.4 Ų50.49%0.09130%0.297CS..EExtended strand (participates in β ladder)trans-77119.9175.9176.70000109.8L11 L183 L190 F196 V220 Y222L11-V193 HydrophobicContact CD1-CG1 4.16Å; L11-V193 HydrophobicContact CD2-CG1 4.44Å; L183-V193 HydrophobicContact CD1-CG2 4.44Å; L190-V193 HydrophobicContact CD2-CG2 4.35Å; L190-V193 WeakPolarHBondContact O-CB 3.39Å; L190-V193 PolarHBondContact O-N 3.2Å; L190-V193 VanDerWaalsContact O-N 3.14Å; V193-F196 HydrophobicContact CG1-CD2 4.49Å; V193-F196 HydrophobicContact CG1-CE1 4.24Å; V193-F196 HydrophobicContact CG1-CE2 3.9Å; V193-F196 HydrophobicContact CG1-CZ 3.71Å; V193-V220 HydrophobicContact CB-CG1 4.37Å; V193-V220 HydrophobicContact CG1-CG1 3.56Å; V193-V220 HydrophobicContact CG2-CG1 4.01Å; V193-Y222 HydrophobicContact CG2-CD2 4.04Å
194Q82.6Confident84.8Confident75 Ų7552.7 Ų52.735%0.3531%0.309SS..EExtended strand (participates in β ladder)trans-99.1-34.3-176.1-62.3174.2-34.300112.7L11 K192 K221 N224L11-Q194 WeakPolarHBondContact CD1-O 3.44Å; K192-Q194 PolarHBondContact O-N 2.87Å; Q194-K221 HydrophobicContact CB-CB 4.28Å; Q194-K221 HydrophobicContact CB-CG 4.42Å; Q194-K221 WeakPolarHBondContact CB-O 3.42Å; Q194-K221 PolarHBondContact N-O 3.06Å; Q194-N224 PolarHBondContact NE2-OD1 2.83Å; Q194-N224 VanDerWaalsContact OE1-N 3.08Å; Q194-N224 PolarHBondContact OE1-OD1 2.93Å
195S84.9Confident84.3Confident31 Ų3153 Ų5322%0.21730%0.304CS..EExtended strand (participates in β ladder)trans-159.614517863.10000112.6L11 V220 K221L11-S195 VanDerWaalsContact CD1-CA 3.43Å; S195-V220 WeakPolarHBondContact O-CA 3.26Å; S195-K221 PolarHBondContact N-O 2.92Å; S195-K221 PolarHBondContact O-N 3.06Å; S195-K221 WeakPolarHBondContact OG-CB 3.36Å
196F87.4Confident82.9Confident20 Ų2054.9 Ų54.99%0.08830%0.302CS..EExtended strand (participates in β ladder)trans-97.5127.6161.4-65.3-77000108.8L11 T176 V179 E180 L183 V193 W218 V220L11-F196 HydrophobicContact CD1-CD2 4.17Å; L11-F196 HydrophobicContact CD1-CE2 4.39Å; L11-F196 HydrophobicContact CD2-CD2 4.01Å; L11-F196 HydrophobicContact CD2-CE2 3.6Å; L11-F196 HydrophobicContact CG-CD2 4.03Å; L11-F196 HydrophobicContact CG-CE2 4.15Å; T176-F196 HydrophobicContact CG2-CB 3.84Å; T176-F196 HydrophobicContact CG2-CD1 4.36Å; T176-F196 HydrophobicContact CG2-CD2 3.92Å; T176-F196 HydrophobicContact CG2-CG 3.78Å; V179-F196 HydrophobicContact CB-CE1 4.27Å; V179-F196 HydrophobicContact CG1-CD1 4.19Å; V179-F196 HydrophobicContact CG1-CE1 3.79Å; E180-F196 HydrophobicContact CG-CE1 4.32Å; E180-F196 HydrophobicContact CG-CE2 3.85Å; E180-F196 HydrophobicContact CG-CZ 3.36Å; L183-F196 HydrophobicContact CD1-CE1 4.26Å; V193-F196 HydrophobicContact CG1-CD2 4.49Å; V193-F196 HydrophobicContact CG1-CE1 4.24Å; V193-F196 HydrophobicContact CG1-CE2 3.9Å; V193-F196 HydrophobicContact CG1-CZ 3.71Å; F196-W218 HydrophobicContact CB-CE3 3.88Å; F196-W218 HydrophobicContact CB-CH2 4.3Å; F196-W218 HydrophobicContact CB-CZ3 3.51Å; F196-V220 HydrophobicContact CD1-CG1 4.27Å; F196-V220 HydrophobicContact CD1-CG2 3.73Å; F196-V220 HydrophobicContact CE1-CG1 3.98Å; F196-V220 HydrophobicContact CE1-CG2 3.79Å
197I88.2Confident81.3Confident37 Ų3753.5 Ų53.519%0.1931%0.312CS..EExtended strand (participates in β ladder)trans-127127.4-176.3-57.5173.5000107F110 P127 F129 F219F110-I197 HydrophobicContact CE2-CD1 4.2Å; F110-I197 HydrophobicContact CE2-CG2 4.41Å; F110-I197 HydrophobicContact CZ-CD1 3.74Å; P127-I197 HydrophobicContact CG-CG2 4.09Å; F129-I197 HydrophobicContact CE2-CG2 4.44Å; F129-I197 HydrophobicContact CZ-CG2 4.28Å; I197-F219 HydrophobicContact CB-CB 4.2Å; I197-F219 PolarHBondContact N-O 2.76Å; I197-F219 PolarHBondContact O-N 3.01Å
198I90.9Very high79.9Confident25 Ų2553.9 Ų53.913%0.12830%0.3CS..EExtended strand (participates in β ladder)trans-84.9133.6166.6-57.4173.8000107.8V18 L20 Y126 L173 W218V18-I198 HydrophobicContact CB-CD1 4.27Å; V18-I198 HydrophobicContact CG1-CD1 4.02Å; V18-I198 HydrophobicContact CG2-CD1 4.27Å; L20-I198 HydrophobicContact CD1-CB 4.43Å; L20-I198 HydrophobicContact CD1-CD1 4.34Å; L20-I198 HydrophobicContact CD1-CG2 3.24Å; Y126-I198 HydrophobicContact CD1-CB 4.01Å; Y126-I198 HydrophobicContact CD1-CG2 4.01Å; Y126-I198 HydrophobicContact CE1-CB 4.01Å; Y126-I198 HydrophobicContact CE1-CG2 4.12Å; L173-I198 HydrophobicContact CD1-CB 4.45Å; L173-I198 HydrophobicContact CD1-CD1 4.26Å; L173-I198 HydrophobicContact CD1-CG1 4.15Å; L173-I198 HydrophobicContact CD1-CG2 3.55Å; I198-W218 HydrophobicContact CD1-CH2 3.84Å; I198-W218 HydrophobicContact CD1-CZ2 4.05Å; I198-W218 HydrophobicContact CD1-CZ3 4.26Å; I198-W218 HydrophobicContact CG1-CD2 4.16Å; I198-W218 HydrophobicContact CG1-CE3 3.78Å; I198-W218 HydrophobicContact CG1-CH2 3.51Å; I198-W218 HydrophobicContact CG1-CZ2 3.91Å; I198-W218 HydrophobicContact CG1-CZ3 3.42Å; I198-W218 VanDerWaalsContact CG1-CZ3 3.42Å
199G90.9Very high78.8Confident0 Ų058.2 Ų58.20%033%0.326CS..EExtended strand (participates in β ladder)trans-147.6177.517700000111.5P127 P216 E217P127-G199 CarbonylContact O-C 3.55Å; P127-G199 WeakPolarHBondContact O-CA 3.38Å; G199-P216 CarbonylContact O-C 3.51Å; G199-P216 WeakPolarHBondContact O-CA 3.44Å; G199-E217 PolarHBondContact N-O 2.85Å; G199-E217 PolarHBondContact O-N 3.12Å
200Y91.3Very high78.1Confident2 Ų260.4 Ų60.41%0.00833%0.333CS..EExtended strand (participates in β ladder)trans-104.2137.4173.8-80.1-73.5000110.4K21 Y23 V123 Y126 P127 I128 F129 L214 T215 P216K21-Y200 WeakPolarHBondContact O-CE1 3.48Å; K21-Y200 PolarHBondContact O-OH 3.41Å; Y23-Y200 AromaticContact CD2-CE1 3.77Å; Y23-Y200 HydrophobicContact CD2-CE1 3.77Å; Y23-Y200 HydrophobicContact CD2-CE2 4.14Å; Y23-Y200 AromaticContact CD2-CZ 3.57Å; Y23-Y200 HydrophobicContact CE2-CE1 4.16Å; Y23-Y200 HydrophobicContact CE2-CE2 4.04Å; Y23-Y200 AromaticContact CE2-CZ 3.52Å; Y23-Y200 WeakPolarHBondContact CE2-OH 3.41Å; V123-Y200 HydrophobicContact CG1-CE2 4.43Å; Y126-Y200 HydrophobicContact CD2-CE2 4.09Å; Y126-Y200 HydrophobicContact CG-CE2 4.3Å; P127-Y200 PolarHBondContact O-N 2.91Å; I128-Y200 CarbonylContact C-O 3.56Å; I128-Y200 WeakPolarHBondContact CA-O 3.42Å; F129-Y200 PolarHBondContact N-O 2.82Å; Y200-L214 VanDerWaalsContact CD1-C 3.5Å; Y200-L214 HydrophobicContact CD1-CB 3.7Å; Y200-L214 VanDerWaalsContact CD1-O 3.28Å; Y200-L214 WeakPolarHBondContact CD1-O 3.48Å; Y200-L214 HydrophobicContact CE1-CB 4.46Å; Y200-L214 WeakPolarHBondContact CE1-O 3.31Å; Y200-L214 HydrophobicContact CG-CB 4.01Å; Y200-T215 CarbonylContact C-O 3.58Å; Y200-T215 WeakPolarHBondContact CA-O 3.37Å; Y200-P216 HydrophobicContact CD1-CB 4.4Å; Y200-P216 HydrophobicContact CD1-CG 4.16Å; Y200-P216 HydrophobicContact CE1-CB 4.01Å; Y200-P216 HydrophobicContact CE1-CG 3.47Å; Y200-P216 VanDerWaalsContact CE1-CG 3.47Å
201T90.7Very high77.7Confident6 Ų659.2 Ų59.24%0.03733%0.326CS..EExtended strand (participates in β ladder)trans-94126.9170.7-53.40000110.5F129 Q203 L214 T215 F219 Y228F129-T201 CarbonylContact O-C 3.53Å; F129-T201 WeakPolarHBondContact O-CA 3.02Å; T201-Q203 HydrophobicContact CG2-CG 3.97Å; T201-Q203 PolarHBondContact O-N 3.35Å; T201-L214 WeakPolarHBondContact O-CA 3.32Å; T201-T215 PolarHBondContact N-O 3.33Å; T201-T215 PolarHBondContact O-N 3.35Å; T201-T215 VanDerWaalsContact O-N 3.16Å; T201-F219 WeakPolarHBondContact OG1-CZ 3.46Å; T201-Y228 WeakPolarHBondContact CB-OH 3.3Å; T201-Y228 HydrophobicContact CG2-CE2 3.48Å; T201-Y228 VanDerWaalsContact CG2-CE2 3.48Å; T201-Y228 WeakPolarHBondContact CG2-OH 3.37Å; T201-Y228 WeakPolarHBondContact OG1-CE2 3.26Å; T201-Y228 PolarHBondContact OG1-OH 3.09Å
202W90Very high77.6Confident9 Ų952 Ų523%0.03429%0.287CS..EExtended strand (participates in β ladder)trans-70109.4168.2-169.4-57.5000110.3L27 I128 F129 K134 D159 V161 D204 V212 L214L27-W202 HydrophobicContact CD1-CZ2 3.75Å; L27-W202 HydrophobicContact CD2-CH2 3.48Å; L27-W202 VanDerWaalsContact CD2-CH2 3.48Å; L27-W202 HydrophobicContact CD2-CZ2 3.09Å; L27-W202 HydrophobicContact CG-CZ2 4.04Å; I128-W202 HydrophobicContact CG2-CB 4.09Å; I128-W202 HydrophobicContact CG2-CE3 3.98Å; F129-W202 WeakPolarHBondContact O-CB 3.34Å; F129-W202 PolarHBondContact O-N 3.47Å; K134-W202 HydrophobicContact CB-CD2 3.8Å; K134-W202 HydrophobicContact CB-CE3 3.87Å; K134-W202 HydrophobicContact CB-CG 4.25Å; K134-W202 HydrophobicContact CB-CH2 4.24Å; K134-W202 HydrophobicContact CB-CZ2 4.15Å; K134-W202 HydrophobicContact CB-CZ3 4.11Å; K134-W202 HydrophobicContact CD-CD2 4.21Å; K134-W202 HydrophobicContact CD-CG 4.38Å; K134-W202 HydrophobicContact CD-CZ2 3.93Å; K134-W202 HydrophobicContact CG-CZ2 4.14Å; D159-W202 HydrophobicContact CB-CH2 3.96Å; D159-W202 HydrophobicContact CB-CZ2 4.01Å; V161-W202 HydrophobicContact CB-CZ3 4.49Å; V161-W202 HydrophobicContact CG1-CE3 4.1Å; V161-W202 HydrophobicContact CG1-CH2 3.84Å; V161-W202 HydrophobicContact CG1-CZ2 4.43Å; V161-W202 HydrophobicContact CG1-CZ3 3.65Å; V161-W202 HydrophobicContact CG2-CZ3 4.32Å; W202-D204 PolarHBondContact NE1-OD1 2.81Å; W202-V212 HydrophobicContact CB-CG2 4.41Å; W202-V212 HydrophobicContact CD2-CG2 3.9Å; W202-V212 HydrophobicContact CG-CG2 3.61Å; W202-L214 HydrophobicContact CB-CD2 4.38Å
203Q85.4Confident77.8Confident64 Ų6448.1 Ų48.130%0.29927%0.272SS..EExtended strand (participates in β ladder)trans-119.9107.9176.2-68.1172.6-11.900108.9T201 V212 A213 T215T201-Q203 HydrophobicContact CG2-CG 3.97Å; T201-Q203 PolarHBondContact O-N 3.35Å; Q203-V212 CarbonylContact O-C 3.48Å; Q203-V212 WeakPolarHBondContact O-CA 3.41Å; Q203-V212 VanDerWaalsContact O-CG2 3.24Å; Q203-V212 WeakPolarHBondContact O-CG2 3.04Å; Q203-A213 HydrophobicContact CB-CB 4.34Å; Q203-A213 PolarHBondContact N-O 2.65Å; Q203-A213 PolarHBondContact O-N 3.14Å; Q203-T215 PolarHBondContact OE1-OG1 3.23Å
204D77.8Confident78Confident57 Ų5747.4 Ų47.431%0.30527%0.267SS..EExtended strand (participates in β ladder)trans-62.4140174-58.2-49.6000109.3K134 W202K134-D204 IonicContact NZ-OD1 2.82Å; K134-D204 PolarHBondContact NZ-OD1 2.75Å; K134-D204 IonicContact NZ-OD2 2.7Å; K134-D204 PolarHBondContact NZ-OD2 3.14Å; W202-D204 PolarHBondContact NE1-OD1 2.81Å
205I69.7Low78.3Confident53 Ų5344.7 Ų44.727%0.27226%0.256SS..  trans-93.7111.6-178.8-64.7169.5000109.2G207 V208 L211 A213I205-G207 PolarHBondContact O-N 2.88Å; I205-V208 HydrophobicContact CG2-CB 4.23Å; I205-V208 HydrophobicContact CG2-CG2 4.08Å; I205-V208 PolarHBondContact O-N 2.57Å; I205-L211 HydrophobicContact CB-CB 4.34Å; I205-L211 HydrophobicContact CB-CD2 4.43Å; I205-L211 HydrophobicContact CD1-CB 4.29Å; I205-L211 HydrophobicContact CD1-CD2 3.46Å; I205-L211 VanDerWaalsContact CD1-CD2 3.46Å; I205-L211 HydrophobicContact CD1-CG 3.82Å; I205-L211 HydrophobicContact CG2-CD2 4.49Å; I205-L211 PolarHBondContact N-O 2.82Å; I205-L211 VanDerWaalsContact N-O 3.1Å; I205-A213 HydrophobicContact CD1-CB 4.06Å; I205-A213 HydrophobicContact CG1-CB 4.17Å
206D51.2Low78.6Confident130 Ų13043.2 Ų43.270%0.69525%0.245SC*.THydrogen-bonded Turntrans-56.3132.6-179.5-74.7-29.6000112.3V208D206-V208 VanDerWaalsContact C-N 3.28Å; D206-V208 PolarHBondContact O-N 3.1Å
207G42.7Very low78.7Confident90 Ų9043 Ų4393%0.92825%0.245SC*.THydrogen-bonded Turntrans80.3-3.217800000115.4I205I205-G207 PolarHBondContact O-N 2.88Å
208V52Low78.8Confident75 Ų7541.6 Ų41.646%0.45524%0.237SC..SBendtrans-122.2104.8176.5-167.40000110I205 D206 L211I205-V208 HydrophobicContact CG2-CB 4.23Å; I205-V208 HydrophobicContact CG2-CG2 4.08Å; I205-V208 PolarHBondContact O-N 2.57Å; D206-V208 VanDerWaalsContact C-N 3.28Å; D206-V208 PolarHBondContact O-N 3.1Å; V208-L211 HydrophobicContact CB-CB 4.09Å; V208-L211 HydrophobicContact CB-CD2 4.28Å; V208-L211 HydrophobicContact CG1-CB 3.84Å; V208-L211 HydrophobicContact CG1-CD2 3.9Å; V208-L211 HydrophobicContact CG1-CG 4.38Å; V208-L211 PolarHBondContact O-N 3.34Å
209N56.7Low78.6Confident158 Ų15840.7 Ų40.785%0.84523%0.232SC*.THydrogen-bonded Turntrans-66.4141.3-174.7-141.23.3000111.1L211N209-L211 PolarHBondContact O-N 3.35Å
210K71.1Confident78.2Confident123 Ų12340.7 Ų40.754%0.53523%0.232SC..THydrogen-bonded Turntrans59.123.4-177.2-57.3-177.4176.3179.10115.3I26 L27I26-K210 CarbonylContact C-O 3.51Å; I26-K210 WeakPolarHBondContact CA-O 3.25Å; I26-K210 HydrophobicContact CG2-CB 4.2Å; I26-K210 WeakPolarHBondContact CG2-O 3.45Å; L27-K210 HydrophobicContact CB-CB 4.36Å; L27-K210 PolarHBondContact N-O 3.24Å
211L76.4Confident77.7Confident36 Ų3642.4 Ų42.419%0.18824%0.24CC..EExtended strand (participates in β ladder)trans-113.4134.3175.1-150.275.4000111.4I26 I165 I205 V208 N209I26-L211 HydrophobicContact CG1-CD1 3.98Å; I165-L211 HydrophobicContact CD1-CD1 3.13Å; I165-L211 HydrophobicContact CD1-CG 4.16Å; I205-L211 HydrophobicContact CB-CB 4.34Å; I205-L211 HydrophobicContact CB-CD2 4.43Å; I205-L211 HydrophobicContact CD1-CB 4.29Å; I205-L211 HydrophobicContact CD1-CD2 3.46Å; I205-L211 VanDerWaalsContact CD1-CD2 3.46Å; I205-L211 HydrophobicContact CD1-CG 3.82Å; I205-L211 HydrophobicContact CG2-CD2 4.49Å; I205-L211 PolarHBondContact N-O 2.82Å; I205-L211 VanDerWaalsContact N-O 3.1Å; V208-L211 HydrophobicContact CB-CB 4.09Å; V208-L211 HydrophobicContact CB-CD2 4.28Å; V208-L211 HydrophobicContact CG1-CB 3.84Å; V208-L211 HydrophobicContact CG1-CD2 3.9Å; V208-L211 HydrophobicContact CG1-CG 4.38Å; V208-L211 PolarHBondContact O-N 3.34Å; N209-L211 PolarHBondContact O-N 3.35Å
212V83.5Confident77.2Confident0 Ų044.1 Ų44.10%025%0.246CC..EExtended strand (participates in β ladder)trans-127.3142.5173.766.60000110.2S24 Y25 L27 V161 W202 Q203 L214S24-V212 CarbonylContact C-O 3.49Å; S24-V212 WeakPolarHBondContact CA-O 3.24Å; Y25-V212 PolarHBondContact N-O 3.35Å; Y25-V212 PolarHBondContact O-N 2.78Å; L27-V212 HydrophobicContact CD1-CB 4.44Å; L27-V212 HydrophobicContact CD2-CB 3.94Å; L27-V212 HydrophobicContact CD2-CG1 3.47Å; L27-V212 VanDerWaalsContact CD2-CG1 3.47Å; L27-V212 HydrophobicContact CG-CB 4.26Å; L27-V212 HydrophobicContact CG-CG1 4.17Å; V161-V212 HydrophobicContact CG1-CG1 3.59Å; W202-V212 HydrophobicContact CB-CG2 4.41Å; W202-V212 HydrophobicContact CD2-CG2 3.9Å; W202-V212 HydrophobicContact CG-CG2 3.61Å; Q203-V212 CarbonylContact O-C 3.48Å; Q203-V212 WeakPolarHBondContact O-CA 3.41Å; Q203-V212 VanDerWaalsContact O-CG2 3.24Å; Q203-V212 WeakPolarHBondContact O-CG2 3.04Å; V212-L214 HydrophobicContact CG2-CD2 4.25Å
213A86Confident76.7Confident5 Ų547.3 Ų47.34%0.04126%0.264CS..EExtended strand (participates in β ladder)trans-94.5132.5162.300000109.8Y23 Q203 I205Y23-A213 CarbonylContact O-C 3.14Å; Y23-A213 WeakPolarHBondContact O-CA 3.21Å; Q203-A213 HydrophobicContact CB-CB 4.34Å; Q203-A213 PolarHBondContact N-O 2.65Å; Q203-A213 PolarHBondContact O-N 3.14Å; I205-A213 HydrophobicContact CD1-CB 4.06Å; I205-A213 HydrophobicContact CG1-CB 4.17Å
214L88.8Confident76Confident0 Ų048.1 Ų48.10%027%0.27CS..EExtended strand (participates in β ladder)trans-102.2102.7167.5-62.7-168.6000108.5K22 Y23 Y25 V123 I128 Y200 T201 W202 V212K22-L214 WeakPolarHBondContact CG-O 3.49Å; Y23-L214 PolarHBondContact N-O 3.26Å; Y23-L214 PolarHBondContact O-N 3.41Å; Y25-L214 HydrophobicContact CD2-CD1 3.48Å; Y25-L214 VanDerWaalsContact CD2-CD1 3.48Å; Y25-L214 HydrophobicContact CD2-CG 3.81Å; Y25-L214 HydrophobicContact CE2-CD1 3.45Å; Y25-L214 VanDerWaalsContact CE2-CD1 3.45Å; Y25-L214 HydrophobicContact CE2-CG 4.2Å; Y25-L214 HydrophobicContact CG-CD1 4.45Å; V123-L214 HydrophobicContact CB-CD1 4.35Å; V123-L214 HydrophobicContact CG1-CD1 4.43Å; V123-L214 HydrophobicContact CG2-CD1 4.02Å; I128-L214 HydrophobicContact CD1-CD1 3.57Å; I128-L214 HydrophobicContact CD1-CD2 4.24Å; I128-L214 HydrophobicContact CG1-CD1 4.11Å; I128-L214 HydrophobicContact CG2-CD2 4.1Å; Y200-L214 VanDerWaalsContact CD1-C 3.5Å; Y200-L214 HydrophobicContact CD1-CB 3.7Å; Y200-L214 VanDerWaalsContact CD1-O 3.28Å; Y200-L214 WeakPolarHBondContact CD1-O 3.48Å; Y200-L214 HydrophobicContact CE1-CB 4.46Å; Y200-L214 WeakPolarHBondContact CE1-O 3.31Å; Y200-L214 HydrophobicContact CG-CB 4.01Å; T201-L214 WeakPolarHBondContact O-CA 3.32Å; W202-L214 HydrophobicContact CB-CD2 4.38Å; V212-L214 HydrophobicContact CG2-CD2 4.25Å
215T88.9Confident75.5Confident17 Ų1750.2 Ų50.210%0.10428%0.281CS..EExtended strand (participates in β ladder)trans-97.3123.4-178.7-57.70000109.9K22 V171 Y200 T201 Q203 E217K22-T215 WeakPolarHBondContact CE-OG1 3.48Å; V171-T215 HydrophobicContact CG2-CG2 4.23Å; Y200-T215 CarbonylContact C-O 3.58Å; Y200-T215 WeakPolarHBondContact CA-O 3.37Å; T201-T215 PolarHBondContact N-O 3.33Å; T201-T215 PolarHBondContact O-N 3.35Å; T201-T215 VanDerWaalsContact O-N 3.16Å; Q203-T215 PolarHBondContact OE1-OG1 3.23Å; T215-E217 HydrophobicContact CG2-CG 4.33Å; T215-E217 PolarHBondContact O-N 2.9Å
216P90.5Very high75.2Confident0 Ų049.9 Ų49.90%028%0.283CS..EExtended strand (participates in β ladder)trans-64.1133176.7-11.420.1000110.6L20 K21 V171 L173 G199 Y200L20-P216 HydrophobicContact CB-CB 3.64Å; L20-P216 HydrophobicContact CB-CG 3.59Å; L20-P216 HydrophobicContact CD1-CB 4.01Å; K21-P216 VanDerWaalsContact O-CG 3.29Å; K21-P216 WeakPolarHBondContact O-CG 3.23Å; V171-P216 HydrophobicContact CB-CG 4.06Å; V171-P216 HydrophobicContact CG2-CG 4.33Å; L173-P216 HydrophobicContact CD1-CB 4.33Å; L173-P216 WeakPolarHBondContact CD2-O 3.01Å; G199-P216 CarbonylContact O-C 3.51Å; G199-P216 WeakPolarHBondContact O-CA 3.44Å; Y200-P216 HydrophobicContact CD1-CB 4.4Å; Y200-P216 HydrophobicContact CD1-CG 4.16Å; Y200-P216 HydrophobicContact CE1-CB 4.01Å; Y200-P216 HydrophobicContact CE1-CG 3.47Å; Y200-P216 VanDerWaalsContact CE1-CG 3.47Å
217E90.5Very high75.8Confident17 Ų1745.7 Ų45.78%0.07926%0.26CS..EExtended strand (participates in β ladder)trans-150165.9-179.3-67.2-158.2-143.600112.9G199 T215 F219 Y228G199-E217 PolarHBondContact N-O 2.85Å; G199-E217 PolarHBondContact O-N 3.12Å; T215-E217 HydrophobicContact CG2-CG 4.33Å; T215-E217 PolarHBondContact O-N 2.9Å; E217-F219 HydrophobicContact CB-CE2 4.12Å; E217-Y228 VanDerWaalsContact CD-CZ 3.43Å; E217-Y228 PolarHBondContact OE1-OH 3.3Å; E217-Y228 WeakPolarHBondContact OE2-CE1 3.14Å; E217-Y228 PolarHBondContact OE2-OH 2.92Å
218W89.7Confident76.6Confident7 Ų745.2 Ų45.23%0.02723%0.231CC..EExtended strand (participates in β ladder)trans-88.4131.6173.7-82.3112.2000111.4T14 P174 T176 V179 F196 I198 W229T14-W218 HydrophobicContact CG2-CH2 3.95Å; T14-W218 HydrophobicContact CG2-CZ2 4.18Å; P174-W218 PolarHBondContact O-NE1 3.08Å; T176-W218 HydrophobicContact CG2-CH2 3.51Å; T176-W218 HydrophobicContact CG2-CZ2 3.77Å; T176-W218 HydrophobicContact CG2-CZ3 4.07Å; V179-W218 HydrophobicContact CG2-CB 4.38Å; V179-W218 VanDerWaalsContact CG2-CD1 3.47Å; V179-W218 HydrophobicContact CG2-CD2 4.38Å; V179-W218 HydrophobicContact CG2-CG 3.85Å; F196-W218 HydrophobicContact CB-CE3 3.88Å; F196-W218 HydrophobicContact CB-CH2 4.3Å; F196-W218 HydrophobicContact CB-CZ3 3.51Å; I198-W218 HydrophobicContact CD1-CH2 3.84Å; I198-W218 HydrophobicContact CD1-CZ2 4.05Å; I198-W218 HydrophobicContact CD1-CZ3 4.26Å; I198-W218 HydrophobicContact CG1-CD2 4.16Å; I198-W218 HydrophobicContact CG1-CE3 3.78Å; I198-W218 HydrophobicContact CG1-CH2 3.51Å; I198-W218 HydrophobicContact CG1-CZ2 3.91Å; I198-W218 HydrophobicContact CG1-CZ3 3.42Å; I198-W218 VanDerWaalsContact CG1-CZ3 3.42Å; W218-W229 HydrophobicContact CB-CB 4.14Å; W218-W229 HydrophobicContact CB-CE3 4.25Å; W218-W229 WeakPolarHBondContact O-CB 3.14Å; W218-W229 PolarHBondContact O-N 3.39Å
219F87Confident76.9Confident5 Ų544.2 Ų44.22%0.02222%0.219CC..EExtended strand (participates in β ladder)trans-115134.6170.6-66.5-93.1000108.8F129 I197 T201 E217 Y228F129-F219 HydrophobicContact CB-CD1 4.08Å; F129-F219 HydrophobicContact CB-CE1 3.2Å; F129-F219 HydrophobicContact CB-CE2 4.11Å; F129-F219 HydrophobicContact CB-CZ 3.26Å; F129-F219 AromaticContact CD1-CD1 3.55Å; F129-F219 HydrophobicContact CD1-CD1 3.55Å; F129-F219 AromaticContact CD1-CE1 3.59Å; F129-F219 HydrophobicContact CD1-CE1 3.59Å; F129-F219 HydrophobicContact CD1-CG 4.13Å; F129-F219 HydrophobicContact CD1-CZ 4.26Å; F129-F219 AromaticContact CD2-CD1 3.74Å; F129-F219 HydrophobicContact CD2-CD1 3.74Å; F129-F219 AromaticContact CD2-CD2 3.45Å; F129-F219 HydrophobicContact CD2-CD2 3.45Å; F129-F219 VanDerWaalsContact CD2-CD2 3.45Å; F129-F219 AromaticContact CD2-CE1 3.56Å; F129-F219 HydrophobicContact CD2-CE1 3.56Å; F129-F219 AromaticContact CD2-CE2 3.29Å; F129-F219 HydrophobicContact CD2-CE2 3.29Å; F129-F219 AromaticContact CD2-CG 3.69Å; F129-F219 HydrophobicContact CD2-CG 3.69Å; F129-F219 AromaticContact CD2-CZ 3.36Å; F129-F219 HydrophobicContact CD2-CZ 3.36Å; F129-F219 HydrophobicContact CE1-CB 4.36Å; F129-F219 AromaticContact CE1-CD1 3.79Å; F129-F219 HydrophobicContact CE1-CD1 3.79Å; F129-F219 HydrophobicContact CE1-CE1 4.29Å; F129-F219 HydrophobicContact CE1-CG 4.01Å; F129-F219 HydrophobicContact CE2-CB 4.11Å; F129-F219 AromaticContact CE2-CD1 3.92Å; F129-F219 HydrophobicContact CE2-CD1 3.92Å; F129-F219 AromaticContact CE2-CD2 3.41Å; F129-F219 HydrophobicContact CE2-CD2 3.41Å; F129-F219 VanDerWaalsContact CE2-CD2 3.41Å; F129-F219 HydrophobicContact CE2-CE1 4.22Å; F129-F219 AromaticContact CE2-CE2 3.78Å; F129-F219 HydrophobicContact CE2-CE2 3.78Å; F129-F219 AromaticContact CE2-CG 3.51Å; F129-F219 HydrophobicContact CE2-CG 3.51Å; F129-F219 HydrophobicContact CE2-CZ 4.18Å; F129-F219 AromaticContact CG-CD1 3.53Å; F129-F219 HydrophobicContact CG-CD1 3.53Å; F129-F219 HydrophobicContact CG-CD2 4.12Å; F129-F219 AromaticContact CG-CE1 3.18Å; F129-F219 HydrophobicContact CG-CE1 3.18Å; F129-F219 AromaticContact CG-CE2 3.86Å; F129-F219 HydrophobicContact CG-CE2 3.86Å; F129-F219 AromaticContact CG-CG 3.99Å; F129-F219 HydrophobicContact CG-CG 3.99Å; F129-F219 AromaticContact CG-CZ 3.39Å; F129-F219 HydrophobicContact CG-CZ 3.39Å; F129-F219 HydrophobicContact CZ-CB 3.93Å; F129-F219 AromaticContact CZ-CD1 3.96Å; F129-F219 HydrophobicContact CZ-CD1 3.96Å; F129-F219 HydrophobicContact CZ-CD2 4.09Å; F129-F219 AromaticContact CZ-CG 3.7Å; F129-F219 HydrophobicContact CZ-CG 3.7Å; I197-F219 HydrophobicContact CB-CB 4.2Å; I197-F219 PolarHBondContact N-O 2.76Å; I197-F219 PolarHBondContact O-N 3.01Å; T201-F219 WeakPolarHBondContact OG1-CZ 3.46Å; E217-F219 HydrophobicContact CB-CE2 4.12Å; F219-Y228 HydrophobicContact CD1-CD2 4.19Å; F219-Y228 AromaticContact CE1-CD2 3.23Å; F219-Y228 HydrophobicContact CE1-CD2 3.23Å; F219-Y228 AromaticContact CE1-CE2 3.65Å; F219-Y228 HydrophobicContact CE1-CE2 3.65Å; F219-Y228 HydrophobicContact CE1-CG 4.04Å; F219-Y228 AromaticContact CZ-CD2 3.59Å; F219-Y228 HydrophobicContact CZ-CD2 3.59Å; F219-Y228 AromaticContact CZ-CE2 3.46Å; F219-Y228 HydrophobicContact CZ-CE2 3.46Å; F219-Y228 VanDerWaalsContact CZ-CE2 3.46Å
220V83.3Confident76.6Confident1 Ų140.5 Ų40.51%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-119.5119.7-177-172.60000107.7V179 L183 V193 S195 F196 Y222 I227V179-V220 HydrophobicContact CG1-CG2 4.17Å; L183-V220 HydrophobicContact CD1-CB 4.48Å; L183-V220 HydrophobicContact CD1-CG1 4.04Å; L183-V220 HydrophobicContact CD1-CG2 4.13Å; V193-V220 HydrophobicContact CB-CG1 4.37Å; V193-V220 HydrophobicContact CG1-CG1 3.56Å; V193-V220 HydrophobicContact CG2-CG1 4.01Å; S195-V220 WeakPolarHBondContact O-CA 3.26Å; F196-V220 HydrophobicContact CD1-CG1 4.27Å; F196-V220 HydrophobicContact CD1-CG2 3.73Å; F196-V220 HydrophobicContact CE1-CG1 3.98Å; F196-V220 HydrophobicContact CE1-CG2 3.79Å; V220-Y222 PolarHBondContact O-N 2.78Å; V220-I227 HydrophobicContact CB-CD1 4.37Å; V220-I227 HydrophobicContact CB-CG1 3.92Å; V220-I227 PolarHBondContact N-O 2.94Å; V220-I227 WeakPolarHBondContact O-CG1 3.47Å; V220-I227 PolarHBondContact O-N 3.23Å
221K79.5Confident74.9Confident37 Ų3741 Ų4116%0.16121%0.208CC..EExtended strand (participates in β ladder)trans-80110.6170.9-162171.6178147.50107.5D111 Q194 S195 N225D111-K221 IonicContact OD2-NZ 3.81Å; D111-K221 PolarHBondContact OD2-NZ 2.81Å; Q194-K221 HydrophobicContact CB-CB 4.28Å; Q194-K221 HydrophobicContact CB-CG 4.42Å; Q194-K221 WeakPolarHBondContact CB-O 3.42Å; Q194-K221 PolarHBondContact N-O 3.06Å; S195-K221 PolarHBondContact N-O 2.92Å; S195-K221 PolarHBondContact O-N 3.06Å; S195-K221 WeakPolarHBondContact OG-CB 3.36Å; K221-N225 CarbonylContact C-O 3.56Å; K221-N225 WeakPolarHBondContact CA-O 3.43Å
222Y81.3Confident72.7Confident42 Ų4246.4 Ų46.417%0.16523%0.232CC..EExtended strand (participates in β ladder)trans-124.1119.6-175.5178.8-89000108.8F188 D189 K192 V193 V220 N224 N225 I227F188-Y222 HydrophobicContact CB-CE2 4.22Å; F188-Y222 HydrophobicContact CD1-CD1 4.34Å; F188-Y222 AromaticContact CD1-CD2 3.94Å; F188-Y222 HydrophobicContact CD1-CD2 3.94Å; F188-Y222 HydrophobicContact CD1-CE1 4.14Å; F188-Y222 AromaticContact CD1-CE2 3.68Å; F188-Y222 HydrophobicContact CD1-CE2 3.68Å; F188-Y222 HydrophobicContact CD1-CG 4.24Å; F188-Y222 AromaticContact CD1-CZ 3.79Å; F188-Y222 HydrophobicContact CE1-CD1 4.44Å; F188-Y222 HydrophobicContact CE1-CE1 4.43Å; F188-Y222 HydrophobicContact CG-CE2 4.46Å; D189-Y222 VanDerWaalsContact O-CE2 3.28Å; D189-Y222 WeakPolarHBondContact O-CE2 2.98Å; K192-Y222 HydrophobicContact CB-CD2 3.9Å; K192-Y222 HydrophobicContact CB-CE1 4.44Å; K192-Y222 HydrophobicContact CB-CE2 3.48Å; K192-Y222 VanDerWaalsContact CB-CE2 3.48Å; K192-Y222 HydrophobicContact CD-CE1 4.24Å; K192-Y222 HydrophobicContact CD-CE2 4.31Å; K192-Y222 WeakPolarHBondContact CD-OH 3.38Å; K192-Y222 HydrophobicContact CG-CE2 4.48Å; V193-Y222 HydrophobicContact CG2-CD2 4.04Å; V220-Y222 PolarHBondContact O-N 2.78Å; Y222-N224 VanDerWaalsContact C-N 3.32Å; Y222-N224 PolarHBondContact O-N 2.88Å; Y222-N225 PolarHBondContact N-O 3.01Å; Y222-N225 PolarHBondContact O-N 2.77Å; Y222-N225 VanDerWaalsContact O-O 3.07Å; Y222-I227 HydrophobicContact CG-CD1 4.28Å
223D78.3Confident69.9Low77 Ų7753.1 Ų53.141%0.41226%0.263SS..THydrogen-bonded Turntrans49.251.8179.3-148.6-1.2000112.4K192 N225K192-D223 HydrophobicContact CD-CB 4.45Å; K192-D223 IonicContact NZ-OD2 3.33Å; K192-D223 PolarHBondContact NZ-OD2 3.3Å; K192-D223 PolarHBondContact O-N 2.8Å; K192-D223 VanDerWaalsContact O-N 3.1Å; D223-N225 PolarHBondContact O-N 3.03Å; D223-N225 VanDerWaalsContact O-N 3.08Å; D223-N225 PolarHBondContact O-ND2 2.87Å
224N70.2Confident67Low81 Ų8161.1 Ų61.143%0.43330%0.299SS..THydrogen-bonded Turntrans63.70.5-174.8-63.5-30000117.1Q194 Y222Q194-N224 PolarHBondContact NE2-OD1 2.83Å; Q194-N224 VanDerWaalsContact OE1-N 3.08Å; Q194-N224 PolarHBondContact OE1-OD1 2.93Å; Y222-N224 VanDerWaalsContact C-N 3.32Å; Y222-N224 PolarHBondContact O-N 2.88Å
225N67.2Low63.8Low101 Ų10170 Ų7054%0.5434%0.341SS..EExtended strand (participates in β ladder)trans-107134.6177.4-66.6-71.8000110.8K221 Y222 D223 I227K221-N225 CarbonylContact C-O 3.56Å; K221-N225 WeakPolarHBondContact CA-O 3.43Å; Y222-N225 PolarHBondContact N-O 3.01Å; Y222-N225 PolarHBondContact O-N 2.77Å; Y222-N225 VanDerWaalsContact O-O 3.07Å; D223-N225 PolarHBondContact O-N 3.03Å; D223-N225 VanDerWaalsContact O-N 3.08Å; D223-N225 PolarHBondContact O-ND2 2.87Å; N225-I227 PolarHBondContact O-N 2.99Å
226C65.1Low60.7Low45 Ų4572.6 Ų72.630%0.30436%0.36SS..EExtended strand (participates in β ladder)trans-80.2112.5170.5-72.80000109.4
227I63.8Low57.4Low43 Ų4381.1 Ų81.122%0.22141%0.405CS..EExtended strand (participates in β ladder)trans-97.5145.3172.559.7170.9000110.4L183 F188 V220 Y222 N225L183-I227 HydrophobicContact CD2-CD1 4.27Å; F188-I227 HydrophobicContact CD1-CD1 3.96Å; F188-I227 HydrophobicContact CE1-CD1 3.44Å; F188-I227 VanDerWaalsContact CE1-CD1 3.44Å; F188-I227 HydrophobicContact CZ-CD1 3.93Å; V220-I227 HydrophobicContact CB-CD1 4.37Å; V220-I227 HydrophobicContact CB-CG1 3.92Å; V220-I227 PolarHBondContact N-O 2.94Å; V220-I227 WeakPolarHBondContact O-CG1 3.47Å; V220-I227 PolarHBondContact O-N 3.23Å; Y222-I227 HydrophobicContact CG-CD1 4.28Å; N225-I227 PolarHBondContact O-N 2.99Å
228Y58Low54.1Low80 Ų8084.2 Ų84.231%0.31442%0.424SS..EExtended strand (participates in β ladder)trans-85.7129.6178.4-163-73.5000109.5T201 E217 F219 N230T201-Y228 WeakPolarHBondContact CB-OH 3.3Å; T201-Y228 HydrophobicContact CG2-CE2 3.48Å; T201-Y228 VanDerWaalsContact CG2-CE2 3.48Å; T201-Y228 WeakPolarHBondContact CG2-OH 3.37Å; T201-Y228 WeakPolarHBondContact OG1-CE2 3.26Å; T201-Y228 PolarHBondContact OG1-OH 3.09Å; E217-Y228 VanDerWaalsContact CD-CZ 3.43Å; E217-Y228 PolarHBondContact OE1-OH 3.3Å; E217-Y228 WeakPolarHBondContact OE2-CE1 3.14Å; E217-Y228 PolarHBondContact OE2-OH 2.92Å; F219-Y228 HydrophobicContact CD1-CD2 4.19Å; F219-Y228 AromaticContact CE1-CD2 3.23Å; F219-Y228 HydrophobicContact CE1-CD2 3.23Å; F219-Y228 AromaticContact CE1-CE2 3.65Å; F219-Y228 HydrophobicContact CE1-CE2 3.65Å; F219-Y228 HydrophobicContact CE1-CG 4.04Å; F219-Y228 AromaticContact CZ-CD2 3.59Å; F219-Y228 HydrophobicContact CZ-CD2 3.59Å; F219-Y228 AromaticContact CZ-CE2 3.46Å; F219-Y228 HydrophobicContact CZ-CE2 3.46Å; F219-Y228 VanDerWaalsContact CZ-CE2 3.46Å; Y228-N230 HydrophobicContact CD1-CB 3.45Å; Y228-N230 VanDerWaalsContact CD1-CB 3.45Å; Y228-N230 HydrophobicContact CE1-CB 3.28Å; Y228-N230 VanDerWaalsContact CE1-CG 3.5Å
229W58.4Low50.9Low54 Ų5489.7 Ų89.721%0.20546%0.459CS..EExtended strand (participates in β ladder)trans-94.594.3168.3-177.584.8000108.4P174 V179 W218P174-W229 HydrophobicContact CG-CE3 4.49Å; P174-W229 HydrophobicContact CG-CH2 3.57Å; P174-W229 HydrophobicContact CG-CZ2 4.15Å; P174-W229 HydrophobicContact CG-CZ3 3.75Å; V179-W229 HydrophobicContact CG1-CG 4.12Å; W218-W229 HydrophobicContact CB-CB 4.14Å; W218-W229 HydrophobicContact CB-CE3 4.25Å; W218-W229 WeakPolarHBondContact O-CB 3.14Å; W218-W229 PolarHBondContact O-N 3.39Å
230N51.3Low48Very low79 Ų7990.7 Ų90.742%0.42247%0.466SS..  trans-109139.3177-153-22.6000110.8Y228 Q232Y228-N230 HydrophobicContact CD1-CB 3.45Å; Y228-N230 VanDerWaalsContact CD1-CB 3.45Å; Y228-N230 HydrophobicContact CE1-CB 3.28Å; Y228-N230 VanDerWaalsContact CE1-CG 3.5Å; N230-Q232 PolarHBondContact OD1-N 2.91Å
231N34.5Very low45.2Very low134 Ų13494 Ų9472%0.71749%0.489SS*.SBendtrans-103.380.3159.4-135.7-2.5000108.6
232Q30.1Very low42.7Very low149 Ų14994.5 Ų94.570%0.69649%0.494SS*.SBendtrans83.7126164.5-62.6-151.2-57.200123.7N230N230-Q232 PolarHBondContact OD1-N 2.91Å
233H26.4Very low40.2Very low142 Ų14298.3 Ų98.366%0.65751%0.513SS*.  trans49146.2144.5-70.8-85.4000121.8
234E23.9Very low38Very low172 Ų17299 Ų9980%0.80451%0.51SS*.  cis-163.91787.8-138.4158.6-145.700111.7
235Q22.4Very low36.1Very low187 Ų187101 Ų10187%0.87452%0.517SS*.  trans-93.9157.2-158.4-68.9170.9-26.700118.3
236S22.7Very low34.8Very low71 Ų71100.5 Ų100.550%0.49751%0.514SS..  trans-116.8158.9172.362.30000115.4
237L21.1Very low34.2Very low180 Ų180103.7 Ų103.794%0.94253%0.527SS*.  trans-99.8165.6-173.4-93.6112.5000115.2
238V22.9Very low34.2Very low82 Ų82106.8 Ų106.850%0.49754%0.544SS..  trans-119.5147.9-165.3172.10000112.9Q70Q70-V238 HydrophobicContact CB-CG1 3.53Å
239T22Very low34Very low121 Ų121106.8 Ų106.874%0.74255%0.546SS*.  trans178154.4137.9460000114.8
240S25.3Very low33.8Very low26 Ų26111.6 Ų111.618%0.18256%0.564CS.*  trans-154.7173.4171.984.40000112.8G54 E69 Q70G54-S240 WeakPolarHBondContact CA-OG 3.32Å; G54-S240 PolarHBondContact O-OG 2.8Å; E69-S240 WeakPolarHBondContact CA-OG 3.45Å; E69-S240 WeakPolarHBondContact CB-OG 3.33Å; Q70-S240 WeakPolarHBondContact CA-OG 3.36Å; Q70-S240 WeakPolarHBondContact CG-OG 3.42Å; Q70-S240 PolarHBondContact N-OG 2.91Å; Q70-S240 VanDerWaalsContact NE2-N 3.13Å; Q70-S240 PolarHBondContact NE2-O 3.36Å
241S24.7Very low34.4Very low70 Ų70110 Ų11049%0.4956%0.556SS.*  trans-162.3148176.51770000112.5E52 G54E52-S241 VanDerWaalsContact O-CB 3.29Å; E52-S241 WeakPolarHBondContact O-CB 3.44Å; E52-S241 PolarHBondContact O-OG 3.42Å; G54-S241 VanDerWaalsContact N-CA 3.28Å
242N27Very low35.9Very low49 Ų49109.5 Ų109.526%0.26255%0.553SS.*  trans-168.6154.3177.3-110.7-11.8000114.8E50 E51 R56 E69E50-N242 CarbonylContact C-O 3.53Å; E50-N242 VanDerWaalsContact CD-C 3.49Å; E50-N242 VanDerWaalsContact CD-CB 3.45Å; E50-N242 HydrophobicContact CG-CB 3.57Å; E50-N242 WeakPolarHBondContact CG-O 3.2Å; E50-N242 WeakPolarHBondContact OE1-CA 3.45Å; E50-N242 WeakPolarHBondContact OE1-CB 3.09Å; E50-N242 PolarHBondContact OE1-OD1 2.96Å; E50-N242 VanDerWaalsContact OE1-OD1 3.12Å; E51-N242 CarbonylContact C-O 3.49Å; E51-N242 PolarHBondContact N-O 2.99Å; E51-N242 VanDerWaalsContact N-O 3.16Å; R56-N242 PolarHBondContact NH1-ND2 3.27Å; R56-N242 VanDerWaalsContact NH1-ND2 3.14Å; R56-N242 VanDerWaalsContact NH2-CG 3.27Å; R56-N242 PolarHBondContact NH2-ND2 3.42Å; E69-N242 PolarHBondContact OE1-ND2 3.28Å; E69-N242 PolarHBondContact OE2-ND2 3.48Å
243Q28.5Very low37.3Very low122 Ų122107.8 Ų107.857%0.5755%0.549SS*.  trans-147.2160.5173.2-74.9-143-64.600119.3E50 E52E50-Q243 VanDerWaalsContact O-CA 3.27Å; E50-Q243 WeakPolarHBondContact O-CA 3.42Å; E50-Q243 VanDerWaalsContact O-CG 3.25Å; E50-Q243 WeakPolarHBondContact O-CG 3.48Å; E50-Q243 PolarHBondContact O-NE2 3.35Å; E50-Q243 PolarHBondContact OE1-N 2.98Å; E52-Q243 HydrophobicContact CG-CG 4.06Å
244R31.9Very low38.8Very low91 Ų91106 Ų10634%0.34354%0.544SS..  trans-148.6140.8-174.7-90.9-175.2-177.2-153.6-2.4115.7Y32 G48 E50 F58Y32-R244 PolarHBondContact OH-NH2 3.04Å; G48-R244 WeakPolarHBondContact O-CD 3.35Å; E50-R244 HydrophobicContact CB-CB 3.84Å; E50-R244 HydrophobicContact CB-CG 3.99Å; E50-R244 IonicContact OE2-NE 2.85Å; F58-R244 VanDerWaalsContact CE1-NH1 3.29Å
245E31.9Very low40.9Very low123 Ų123106 Ų10658%0.57554%0.544SS*.  trans-136.1171.8-173.6-77.6-172.6151.400117.5Q249E245-Q249 HydrophobicContact CB-CB 4.43Å; E245-Q249 HydrophobicContact CB-CG 4.49Å; E245-Q249 PolarHBondContact OE1-NE2 3.35Å; E245-Q249 PolarHBondContact OE2-NE2 3.46Å; E245-Q249 VanDerWaalsContact OE2-NE2 3.12Å
246D39.3Very low43.1Very low91 Ų91101.4 Ų101.449%0.48753%0.525SS..  trans-76.2161.2-167-175.6-79.6000117.1L248 Q249 R250D246-L248 PolarHBondContact OD1-N 2.75Å; D246-Q249 HydrophobicContact CB-CB 4.3Å; D246-Q249 CarbonylContact O-C 3.5Å; D246-Q249 WeakPolarHBondContact O-CA 3.45Å; D246-Q249 WeakPolarHBondContact O-CB 3.34Å; D246-Q249 PolarHBondContact O-N 2.81Å; D246-Q249 VanDerWaalsContact O-N 3.1Å; D246-R250 WeakPolarHBondContact O-CG 3.35Å; D246-R250 PolarHBondContact O-N 2.98Å
247I52.3Low45.2Very low111 Ų111107.1 Ų107.157%0.56954%0.54SS*.Hα-helixtrans-66-35.2-176.3-162.1154.3000115.5R250 L251I247-R250 PolarHBondContact O-N 2.99Å; I247-L251 HydrophobicContact CG1-CD1 4.45Å; I247-L251 WeakPolarHBondContact O-CB 3.48Å; I247-L251 VanDerWaalsContact O-CG 3.23Å; I247-L251 WeakPolarHBondContact O-CG 3.48Å; I247-L251 PolarHBondContact O-N 2.91Å
248L62.9Low47.4Very low109 Ų109102.8 Ų102.857%0.57152%0.517SS*.Hα-helixtrans-67.9-34171.3-74172.7000110.3D246 L251 D252D246-L248 PolarHBondContact OD1-N 2.75Å; L248-L251 PolarHBondContact O-N 3.37Å; L248-D252 WeakPolarHBondContact O-CB 3.48Å; L248-D252 PolarHBondContact O-N 3.37Å
249Q55.6Low49.3Very low80 Ų80108.9 Ų108.937%0.37454%0.537SS..Hα-helixtrans-71.2-34.6176.5-138.5162.2-3.500111.6E245 D246 N253E245-Q249 HydrophobicContact CB-CB 4.43Å; E245-Q249 HydrophobicContact CB-CG 4.49Å; E245-Q249 PolarHBondContact OE1-NE2 3.35Å; E245-Q249 PolarHBondContact OE2-NE2 3.46Å; E245-Q249 VanDerWaalsContact OE2-NE2 3.12Å; D246-Q249 HydrophobicContact CB-CB 4.3Å; D246-Q249 CarbonylContact O-C 3.5Å; D246-Q249 WeakPolarHBondContact O-CA 3.45Å; D246-Q249 WeakPolarHBondContact O-CB 3.34Å; D246-Q249 PolarHBondContact O-N 2.81Å; D246-Q249 VanDerWaalsContact O-N 3.1Å; Q249-N253 WeakPolarHBondContact O-CB 3.24Å; Q249-N253 PolarHBondContact O-N 2.9Å; Q249-N253 PolarHBondContact O-ND2 2.89Å
250R54Low51.3Low154 Ų154111 Ų11158%0.58154%0.539SS*.Hα-helixtrans-67.9-45.8170.8-71173.362.8-178.20.9111.9D246 I247 D252 N253 D254D246-R250 WeakPolarHBondContact O-CG 3.35Å; D246-R250 PolarHBondContact O-N 2.98Å; I247-R250 PolarHBondContact O-N 2.99Å; R250-D252 VanDerWaalsContact C-N 3.29Å; R250-D252 PolarHBondContact O-N 3.37Å; R250-N253 PolarHBondContact O-N 3.45Å; R250-D254 WeakPolarHBondContact O-CB 3.34Å; R250-D254 VanDerWaalsContact O-CG 3.23Å; R250-D254 PolarHBondContact O-N 2.87Å
251L63.9Low53.2Low47 Ų47117.5 Ų117.525%0.24657%0.571CS.*Hα-helixtrans-63.3-36.3177.3-69169.8000111.7I247 L248 E255 I256 I258I247-L251 HydrophobicContact CG1-CD1 4.45Å; I247-L251 WeakPolarHBondContact O-CB 3.48Å; I247-L251 VanDerWaalsContact O-CG 3.23Å; I247-L251 WeakPolarHBondContact O-CG 3.48Å; I247-L251 PolarHBondContact O-N 2.91Å; L248-L251 PolarHBondContact O-N 3.37Å; L251-E255 PolarHBondContact O-N 3.15Å; L251-I256 HydrophobicContact CB-CB 4.47Å; L251-I256 HydrophobicContact CD2-CB 4.09Å; L251-I256 HydrophobicContact CD2-CD1 3.98Å; L251-I256 HydrophobicContact CD2-CG2 4.03Å; L251-I256 WeakPolarHBondContact O-CA 3.38Å; L251-I256 PolarHBondContact O-N 3.28Å; L251-I258 HydrophobicContact CD1-CD1 3.7Å; L251-I258 HydrophobicContact CD1-CG1 4.49Å
252D65Low55.2Low123 Ų123119 Ų11966%0.65858%0.577SS**Hα-helixtrans-73.3-40.7175.3-157.940.1000112.2L248 R250 D254 E255L248-D252 WeakPolarHBondContact O-CB 3.48Å; L248-D252 PolarHBondContact O-N 3.37Å; R250-D252 VanDerWaalsContact C-N 3.29Å; R250-D252 PolarHBondContact O-N 3.37Å; D252-D254 PolarHBondContact O-N 3.3Å; D252-E255 PolarHBondContact O-N 2.94Å
253N59.7Low57Low112 Ų112120.6 Ų120.660%0.59959%0.592SS**Hα-helixtrans-63.5-30.1173.9-74.1-18.5000112.6Q249 R250 E255Q249-N253 WeakPolarHBondContact O-CB 3.24Å; Q249-N253 PolarHBondContact O-N 2.9Å; Q249-N253 PolarHBondContact O-ND2 2.89Å; R250-N253 PolarHBondContact O-N 3.45Å; N253-E255 VanDerWaalsContact C-N 3.31Å
254D58Low58.4Low104 Ų104122.5 Ų122.556%0.55661%0.607SS**THydrogen-bonded Turntrans-89.28.7175.8-65.1-22.2000112.8R250 D252 I256R250-D254 WeakPolarHBondContact O-CB 3.34Å; R250-D254 VanDerWaalsContact O-CG 3.23Å; R250-D254 PolarHBondContact O-N 2.87Å; D252-D254 PolarHBondContact O-N 3.3Å; D254-I256 HydrophobicContact CB-CD1 3.98Å; D254-I256 HydrophobicContact CB-CG1 4.03Å; D254-I256 PolarHBondContact O-N 2.7Å; D254-I256 VanDerWaalsContact O-N 3.12Å
255E68.7Low58.9Low172 Ų172124.2 Ų124.280%0.80462%0.618SS**THydrogen-bonded Turntrans56.422-177.6-55.8-170.4163.500114.9L251 D252 N253 K257L251-E255 PolarHBondContact O-N 3.15Å; D252-E255 PolarHBondContact O-N 2.94Å; N253-E255 VanDerWaalsContact C-N 3.31Å; E255-K257 PolarHBondContact O-N 2.83Å
256I68.1Low59.5Low92 Ų92127.2 Ų127.247%0.47263%0.632SS.*  trans-83.3103.8-179.5-60174.9000109.8L251 D254L251-I256 HydrophobicContact CB-CB 4.47Å; L251-I256 HydrophobicContact CD2-CB 4.09Å; L251-I256 HydrophobicContact CD2-CD1 3.98Å; L251-I256 HydrophobicContact CD2-CG2 4.03Å; L251-I256 WeakPolarHBondContact O-CA 3.38Å; L251-I256 PolarHBondContact O-N 3.28Å; D254-I256 HydrophobicContact CB-CD1 3.98Å; D254-I256 HydrophobicContact CB-CG1 4.03Å; D254-I256 PolarHBondContact O-N 2.7Å; D254-I256 VanDerWaalsContact O-N 3.12Å
257K67.5Low59.5Low190 Ų190133.2 Ų133.283%0.82665%0.648SS**  trans-87.4113.9176.2-65.8-173-179.2-179.30112.2E255E255-K257 PolarHBondContact O-N 2.83Å
258I67.2Low58.7Low90 Ų90137.2 Ų137.246%0.46266%0.664SS.*  trans-84.6132.3170-29.5175.9000108.5L251 V262L251-I258 HydrophobicContact CD1-CD1 3.7Å; L251-I258 HydrophobicContact CD1-CG1 4.49Å; I258-V262 HydrophobicContact CD1-CG2 3.75Å
259K61.3Low57.8Low209 Ų209135.5 Ų135.591%0.90967%0.673SS**SBendtrans-83.5-17.8-176.6-83.1-177.7177.6174.20114.5
260E65.6Low57.3Low166 Ų166143 Ų14378%0.77670%0.699SS**SBendtrans-129.1152.1-174.7-64.6-178.1176.700108.8V262E260-V262 PolarHBondContact O-N 3.02Å
261D65.2Low57.2Low162 Ų162144.8 Ų144.887%0.86671%0.707SS**PPolyproline II helixtrans-59.6134.6174-67.7-40.4000109.3S263D261-S263 PolarHBondContact O-N 2.98Å; D261-S263 VanDerWaalsContact O-N 3.1Å
262V64.6Low56.6Low101 Ų101147.6 Ų147.661%0.61272%0.722SS**PPolyproline II helixtrans-61.8116.6176.1-177.50000107.8I258 E260I258-V262 HydrophobicContact CD1-CG2 3.75Å; E260-V262 PolarHBondContact O-N 3.02Å
263S65.7Low56.2Low84 Ų84146.4 Ų146.459%0.58772%0.724SS**PPolyproline II helixtrans-68.8135.9-175.8176.60000111.9D261 E265D261-S263 PolarHBondContact O-N 2.98Å; D261-S263 VanDerWaalsContact O-N 3.1Å; S263-E265 PolarHBondContact O-N 3.45Å; S263-E265 WeakPolarHBondContact OG-CB 3.41Å; S263-E265 PolarHBondContact OG-N 2.98Å
264D59Low56.4Low162 Ų162142.9 Ų142.987%0.86671%0.71SS**  trans-79.91.1168.7-63.5-34.4000112.8H266D264-H266 PolarHBondContact O-N 3.38Å
265E40.5Very low57Low127 Ų127147.2 Ų147.259%0.59373%0.727SS**  trans-79.2104.1-172.8-156.6-176.2-124.200111.7S263 R267S263-E265 PolarHBondContact O-N 3.45Å; S263-E265 WeakPolarHBondContact OG-CB 3.41Å; S263-E265 PolarHBondContact OG-N 2.98Å; E265-R267 IonicContact OE2-CZ 3.46Å; E265-R267 IonicContact OE2-NE 3.23Å; E265-R267 PolarHBondContact OE2-NE 2.71Å; E265-R267 IonicContact OE2-NH2 3.2Å; E265-R267 PolarHBondContact OE2-NH2 2.79Å
266H45.6Very low57.6Low186 Ų186141.3 Ų141.386%0.86170%0.699SS**  trans-78115.1171.1-89.6-103.7000111D264D264-H266 PolarHBondContact O-N 3.38Å
267R39.6Very low58.3Low216 Ų216141.8 Ų141.882%0.81570%0.703SS**  trans-95122.8173.8-66.3-169.9177.5-169.80.7111.2E265E265-R267 IonicContact OE2-CZ 3.46Å; E265-R267 IonicContact OE2-NE 3.23Å; E265-R267 PolarHBondContact OE2-NE 2.71Å; E265-R267 IonicContact OE2-NH2 3.2Å; E265-R267 PolarHBondContact OE2-NH2 2.79Å
268E35Very low59.3Low196 Ų196136.5 Ų136.592%0.91668%0.683SS**  trans-91.3140.7174-61.8-177.7166.500110.8
269G44.5Very low60.3Low73 Ų73134.2 Ų134.275%0.75367%0.67SS**  trans-149.7157.6178.200000112
270Y45.6Very low61.5Low236 Ų236130.1 Ų130.193%0.92565%0.654SS**PPolyproline II helixtrans-85.1131177.5-62.2-86.5000110.3
271Y50.2Low62.5Low192 Ų192127.2 Ų127.275%0.75365%0.648SS**PPolyproline II helixtrans-91.3122.4171.1-134.4-91.7000108.6D366Y271-D366 HydrophobicContact CE1-CB 4.32Å
272L52.2Low63.5Low107 Ų107121.2 Ų121.256%0.5662%0.616SS**PPolyproline II helixtrans-95.1117.6169.1-75.2154000107.1F364L272-F364 HydrophobicContact CB-CD1 3.79Å; L272-F364 HydrophobicContact CB-CE1 3.36Å; L272-F364 HydrophobicContact CB-CZ 4.45Å; L272-F364 HydrophobicContact CD1-CE1 3.87Å; L272-F364 HydrophobicContact CG-CE1 4.11Å
273S55.6Low64.6Low98 Ų98117.6 Ų117.669%0.68559%0.593SS**  trans-110.2140.3174.165.80000110.3
274A65.4Low65.4Low37 Ų37116.9 Ų116.931%0.30660%0.598SS.*PPolyproline II helixtrans-90.7157.8172.600000111.9
275E70.7Confident66.5Low196 Ų196111.2 Ų111.292%0.91657%0.574SS**PPolyproline II helixtrans-80.8128.3162.1-98.8-171.5159.900108.6
276Q80.4Confident68.1Low47 Ų47110.6 Ų110.622%0.2258%0.584CS.*PPolyproline II helixtrans-71.7133.9178.3-170.2-173.89.500111.2R300 T368Q276-R300 PolarHBondContact NE2-O 3.13Å; Q276-T368 HydrophobicContact CB-CG2 4.19Å
277D83.9Confident69.6Low103 Ų103104.5 Ų104.555%0.55157%0.571SS**PPolyproline II helixtrans-63.4157.3171.9-86.4-44.4000113.3F279 L282D277-F279 PolarHBondContact O-N 2.89Å; D277-L282 HydrophobicContact CB-CD1 3.67Å
278N87.3Confident71.6Confident78 Ų7895.3 Ų95.342%0.41754%0.538SS..  trans-83.4105.1171.4-179.7-79.6000110.4E280 T281 L282N278-E280 VanDerWaalsContact C-N 3.34Å; N278-E280 PolarHBondContact ND2-OE2 3.16Å; N278-E280 PolarHBondContact O-N 2.96Å; N278-E280 PolarHBondContact OD1-N 2.85Å; N278-E280 PolarHBondContact OD1-OE2 3.06Å; N278-T281 PolarHBondContact O-N 3.5Å; N278-T281 WeakPolarHBondContact OD1-CB 3.34Å; N278-T281 PolarHBondContact OD1-N 3.21Å; N278-T281 PolarHBondContact OD1-OG1 3.03Å; N278-L282 PolarHBondContact O-N 3.32Å; N278-L282 VanDerWaalsContact O-N 3.14Å
279F89Confident73.6Confident42 Ų4291.5 Ų91.518%0.18452%0.521CS..Hα-helixtrans-62.9-33.3-178.2-67.7-43.9000114.1D277 T281 L282 L283 I297 R300 L302D277-F279 PolarHBondContact O-N 2.89Å; F279-T281 VanDerWaalsContact C-N 3.27Å; F279-T281 PolarHBondContact O-N 3.25Å; F279-L282 HydrophobicContact CD1-CD1 4.11Å; F279-L282 PolarHBondContact O-N 3.3Å; F279-L283 WeakPolarHBondContact O-CB 3.39Å; F279-L283 WeakPolarHBondContact O-CG 3.14Å; F279-L283 PolarHBondContact O-N 3.18Å; F279-I297 HydrophobicContact CB-CD1 3.52Å; F279-I297 HydrophobicContact CB-CG1 4.14Å; F279-R300 VanDerWaalsContact CE2-O 3.29Å; F279-R300 WeakPolarHBondContact CE2-O 3.34Å; F279-L302 HydrophobicContact CD1-CB 4.26Å; F279-L302 HydrophobicContact CD1-CD2 4.32Å; F279-L302 HydrophobicContact CD2-CB 3.74Å; F279-L302 HydrophobicContact CE1-CB 4.37Å; F279-L302 HydrophobicContact CE2-CB 3.82Å; F279-L302 HydrophobicContact CG-CB 3.97Å; F279-L302 HydrophobicContact CZ-CB 4.17Å
280E86.1Confident75.4Confident123 Ų12391 Ų9158%0.57550%0.503SS*.Hα-helixtrans-61.8-39.3176.2-67.6105.6177.500111.9N278 G284 I297N278-E280 VanDerWaalsContact C-N 3.34Å; N278-E280 PolarHBondContact ND2-OE2 3.16Å; N278-E280 PolarHBondContact O-N 2.96Å; N278-E280 PolarHBondContact OD1-N 2.85Å; N278-E280 PolarHBondContact OD1-OE2 3.06Å; E280-G284 PolarHBondContact O-N 3.4Å; E280-G284 VanDerWaalsContact O-N 3.14Å; E280-I297 HydrophobicContact CG-CD1 4.09Å
281T86.7Confident77.2Confident105 Ų10580.1 Ų80.164%0.64446%0.461SS*.Hα-helixtrans-68.9-43.1178.5-53.20000110.7N278 F279 G284 A285N278-T281 PolarHBondContact O-N 3.5Å; N278-T281 WeakPolarHBondContact OD1-CB 3.34Å; N278-T281 PolarHBondContact OD1-N 3.21Å; N278-T281 PolarHBondContact OD1-OG1 3.03Å; F279-T281 VanDerWaalsContact C-N 3.27Å; F279-T281 PolarHBondContact O-N 3.25Å; T281-G284 PolarHBondContact O-N 3.05Å; T281-A285 PolarHBondContact O-N 2.97Å
282L86.9Confident78.8Confident37 Ų3772.8 Ų72.819%0.19444%0.44CS..Hα-helixtrans-61.2-46.2176.3-87.8163.4000112.2D277 N278 F279 G284 A285 N288 M332D277-L282 HydrophobicContact CB-CD1 3.67Å; N278-L282 PolarHBondContact O-N 3.32Å; N278-L282 VanDerWaalsContact O-N 3.14Å; F279-L282 HydrophobicContact CD1-CD1 4.11Å; F279-L282 PolarHBondContact O-N 3.3Å; L282-G284 VanDerWaalsContact C-N 3.25Å; L282-G284 PolarHBondContact O-N 2.92Å; L282-A285 WeakPolarHBondContact O-CB 3.44Å; L282-A285 PolarHBondContact O-N 3.36Å; L282-N288 PolarHBondContact O-ND2 3.48Å; L282-M332 HydrophobicContact CB-CE 4.18Å; L282-M332 HydrophobicContact CB-SD 4.09Å
283L85.8Confident80.3Confident25 Ų2577.1 Ų77.113%0.13145%0.449CS..Hα-helixtrans-65.9-28.5178.2-70.5178.5000112.7F279 A285 I291 A292 I297 L302 M332F279-L283 WeakPolarHBondContact O-CB 3.39Å; F279-L283 WeakPolarHBondContact O-CG 3.14Å; F279-L283 PolarHBondContact O-N 3.18Å; L283-A285 PolarHBondContact O-N 3.14Å; L283-I291 HydrophobicContact CD2-CG2 4.05Å; L283-A292 HydrophobicContact CB-CB 4.13Å; L283-A292 HydrophobicContact CD2-CB 4.07Å; L283-I297 HydrophobicContact CD1-CD1 3.77Å; L283-I297 HydrophobicContact CD1-CG1 4.33Å; L283-L302 HydrophobicContact CD1-CD1 3.78Å; L283-L302 HydrophobicContact CD2-CD1 4.3Å; L283-L302 HydrophobicContact CD2-CD2 4.49Å; L283-L302 HydrophobicContact CG-CD1 4.34Å; L283-M332 HydrophobicContact CD2-CE 4.05Å; L283-M332 HydrophobicContact CD2-SD 3.81Å
284G82.6Confident81.6Confident68 Ų6875.7 Ų75.770%0.70143%0.434SS*.THydrogen-bonded Turntrans-71.8-13.9175.800000114.5E280 T281 L282E280-G284 PolarHBondContact O-N 3.4Å; E280-G284 VanDerWaalsContact O-N 3.14Å; T281-G284 PolarHBondContact O-N 3.05Å; L282-G284 VanDerWaalsContact C-N 3.25Å; L282-G284 PolarHBondContact O-N 2.92Å
285A83.5Confident82.6Confident44 Ų4475.1 Ų75.136%0.36443%0.428SS..SBendtrans-70.3140.9-179.900000111.8T281 L282 L283 G287 N288T281-A285 PolarHBondContact O-N 2.97Å; L282-A285 WeakPolarHBondContact O-CB 3.44Å; L282-A285 PolarHBondContact O-N 3.36Å; L283-A285 PolarHBondContact O-N 3.14Å; A285-G287 PolarHBondContact O-N 3.25Å; A285-N288 PolarHBondContact O-N 3.24Å
286S73.2Confident83.4Confident113 Ų11370.9 Ų70.979%0.7941%0.411SS*.THydrogen-bonded Turntrans-53.4-25.6-173.7-47.80000114.9
287G77.5Confident83.7Confident58 Ų5870.8 Ų70.860%0.59841%0.412SS*.THydrogen-bonded Turntrans-80.7-16.6-179.700000115.2A285A285-G287 PolarHBondContact O-N 3.25Å
288N81.1Confident83.6Confident23 Ų2370.1 Ų70.112%0.12341%0.411CS..  trans-107.915.5-166.6-63.4-23.9000113.4L282 A285 T290 I291 A292 M332L282-N288 PolarHBondContact O-ND2 3.48Å; A285-N288 PolarHBondContact O-N 3.24Å; N288-T290 VanDerWaalsContact C-N 3.29Å; N288-T290 PolarHBondContact O-N 2.96Å; N288-I291 PolarHBondContact O-N 3.08Å; N288-A292 WeakPolarHBondContact O-CB 3.34Å; N288-A292 PolarHBondContact O-N 3.14Å; N288-M332 HydrophobicContact CB-CG 4.23Å; N288-M332 HydrophobicContact CB-SD 3.86Å; N288-M332 VanDerWaalsContact CG-SD 3.56Å; N288-M332 PolarHBondContact ND2-SD 2.99Å
289Q78.3Confident83.3Confident116 Ų11673.8 Ų73.854%0.54243%0.431SS..Hα-helixtrans-61.1-33.5-173.6-69.2-166.37.600113.9R293Q289-R293 WeakPolarHBondContact O-CG 3.46Å; Q289-R293 PolarHBondContact O-N 3.15Å
290T80.8Confident83Confident63 Ų6379.7 Ų79.739%0.38745%0.452SS..Hα-helixtrans-65.5-48.3178.7-47.50000110.4N288 R293 D329N288-T290 VanDerWaalsContact C-N 3.29Å; N288-T290 PolarHBondContact O-N 2.96Å; T290-R293 PolarHBondContact O-N 3.09Å; T290-D329 WeakPolarHBondContact CB-OD1 3.16Å; T290-D329 HydrophobicContact CG2-CB 4.2Å; T290-D329 PolarHBondContact OG1-OD1 3.07Å
291I84.9Confident83Confident7 Ų777.5 Ų77.54%0.03645%0.447CS..Hα-helixtrans-64.4-45.6179.4-60.7171.6000109.8L283 N288 R293 N294 S295 I331 M332L283-I291 HydrophobicContact CD2-CG2 4.05Å; N288-I291 PolarHBondContact O-N 3.08Å; I291-R293 PolarHBondContact O-N 2.86Å; I291-R293 VanDerWaalsContact O-N 3.1Å; I291-N294 CarbonylContact O-C 3.44Å; I291-N294 PolarHBondContact O-N 2.95Å; I291-S295 VanDerWaalsContact O-CB 3.23Å; I291-S295 WeakPolarHBondContact O-CB 3.39Å; I291-S295 PolarHBondContact O-N 3.26Å; I291-S295 VanDerWaalsContact O-N 3.14Å; I291-S295 PolarHBondContact O-OG 2.72Å; I291-S295 VanDerWaalsContact O-OG 3.08Å; I291-I331 VanDerWaalsContact CD1-C 3.45Å; I291-M332 HydrophobicContact CD1-CB 4.48Å; I291-M332 HydrophobicContact CD1-CG 3.52Å
292A82.5Confident83.1Confident39 Ų3974.5 Ų74.532%0.32243%0.427SS..Hα-helixtrans-57-28.3179.800000114.4L283 N288 S295L283-A292 HydrophobicContact CB-CB 4.13Å; L283-A292 HydrophobicContact CD2-CB 4.07Å; N288-A292 WeakPolarHBondContact O-CB 3.34Å; N288-A292 PolarHBondContact O-N 3.14Å; A292-S295 WeakPolarHBondContact CA-OG 3.34Å
293R83.5Confident83.2Confident197 Ų19775.6 Ų75.674%0.74344%0.435SS*.Hα-helixtrans-74.4-26.7177.5-75.8179.3-170.9177.26.1113.6Q289 T290 I291Q289-R293 WeakPolarHBondContact O-CG 3.46Å; Q289-R293 PolarHBondContact O-N 3.15Å; T290-R293 PolarHBondContact O-N 3.09Å; I291-R293 PolarHBondContact O-N 2.86Å; I291-R293 VanDerWaalsContact O-N 3.1Å
294N83Confident83.3Confident69 Ų6976.4 Ų76.437%0.36944%0.443SS..THydrogen-bonded Turntrans-120.524.5-173.6-60.8-0.8000111.8I291 S304 Y305I291-N294 CarbonylContact O-C 3.44Å; I291-N294 PolarHBondContact O-N 2.95Å; N294-S304 WeakPolarHBondContact O-CA 3.28Å; N294-Y305 WeakPolarHBondContact CB-O 3.43Å; N294-Y305 PolarHBondContact ND2-O 3.46Å; N294-Y305 VanDerWaalsContact ND2-O 3.14Å; N294-Y305 PolarHBondContact O-N 2.89Å
295S86.1Confident83.3Confident25 Ų2581.2 Ų81.218%0.17544%0.441CS..EExtended strand (participates in β ladder)trans-122.3150.1-177.564.10000112.2I291 A292 T303I291-S295 VanDerWaalsContact O-CB 3.23Å; I291-S295 WeakPolarHBondContact O-CB 3.39Å; I291-S295 PolarHBondContact O-N 3.26Å; I291-S295 VanDerWaalsContact O-N 3.14Å; I291-S295 PolarHBondContact O-OG 2.72Å; I291-S295 VanDerWaalsContact O-OG 3.08Å; A292-S295 WeakPolarHBondContact CA-OG 3.34Å; S295-T303 CarbonylContact C-O 3.56Å; S295-T303 WeakPolarHBondContact CA-O 3.13Å; S295-T303 WeakPolarHBondContact CB-O 3.28Å
296N88.2Confident82.9Confident107 Ų10781.7 Ų81.757%0.57244%0.44SS*.EExtended strand (participates in β ladder)trans-130150.8169.8-154.91.3000110.1T303N296-T303 PolarHBondContact N-O 3.14Å; N296-T303 PolarHBondContact O-N 3.01Å
297I86Confident82.7Confident45 Ų4578.7 Ų78.723%0.23143%0.427CS..EExtended strand (participates in β ladder)trans-117.2118.8176.2-60.9164.8000107.9F279 E280 L283 V301 L302F279-I297 HydrophobicContact CB-CD1 3.52Å; F279-I297 HydrophobicContact CB-CG1 4.14Å; E280-I297 HydrophobicContact CG-CD1 4.09Å; L283-I297 HydrophobicContact CD1-CD1 3.77Å; L283-I297 HydrophobicContact CD1-CG1 4.33Å; I297-V301 VanDerWaalsContact CA-O 3.31Å; I297-V301 WeakPolarHBondContact CA-O 3.35Å; I297-L302 HydrophobicContact CD1-CD1 4.24Å; I297-L302 HydrophobicContact CG1-CD1 3.58Å
298T82.3Confident82.4Confident88 Ų8878.9 Ų78.954%0.5443%0.429SS..EExtended strand (participates in β ladder)trans-136.1131.8176.8-42.10000108.5R300 V301T298-R300 PolarHBondContact O-N 3.24Å; T298-R300 VanDerWaalsContact O-N 3.13Å; T298-V301 PolarHBondContact N-O 2.91Å; T298-V301 WeakPolarHBondContact O-CB 3.35Å; T298-V301 PolarHBondContact O-N 3.3Å
299D81.8Confident81.7Confident155 Ų15584.1 Ų84.183%0.82945%0.453SS*.THydrogen-bonded Turntrans46.344.7-178.1-74.8-18.8000114.2V301D299-V301 PolarHBondContact O-N 3.32Å
300R81.8Confident81.9Confident167 Ų16782.2 Ų82.263%0.6344%0.443SS*.THydrogen-bonded Turntrans62.816.1-178.9-41.9174.567.293.41.9113.9Q276 F279 T298Q276-R300 PolarHBondContact NE2-O 3.13Å; F279-R300 VanDerWaalsContact CE2-O 3.29Å; F279-R300 WeakPolarHBondContact CE2-O 3.34Å; T298-R300 PolarHBondContact O-N 3.24Å; T298-R300 VanDerWaalsContact O-N 3.13Å
301V85.9Confident82Confident76 Ų7686.2 Ų86.246%0.46146%0.455SS..EExtended strand (participates in β ladder)trans-102.9129.9170.8-178.90000108.6I297 T298 D299I297-V301 VanDerWaalsContact CA-O 3.31Å; I297-V301 WeakPolarHBondContact CA-O 3.35Å; T298-V301 PolarHBondContact N-O 2.91Å; T298-V301 WeakPolarHBondContact O-CB 3.35Å; T298-V301 PolarHBondContact O-N 3.3Å; D299-V301 PolarHBondContact O-N 3.32Å
302L89.8Confident82.1Confident42 Ų4287.4 Ų87.422%0.2246%0.46CS..EExtended strand (participates in β ladder)trans-92.5113.6170.5178.274.3000109.2F279 L283 I297 M332F279-L302 HydrophobicContact CD1-CB 4.26Å; F279-L302 HydrophobicContact CD1-CD2 4.32Å; F279-L302 HydrophobicContact CD2-CB 3.74Å; F279-L302 HydrophobicContact CE1-CB 4.37Å; F279-L302 HydrophobicContact CE2-CB 3.82Å; F279-L302 HydrophobicContact CG-CB 3.97Å; F279-L302 HydrophobicContact CZ-CB 4.17Å; L283-L302 HydrophobicContact CD1-CD1 3.78Å; L283-L302 HydrophobicContact CD2-CD1 4.3Å; L283-L302 HydrophobicContact CD2-CD2 4.49Å; L283-L302 HydrophobicContact CG-CD1 4.34Å; I297-L302 HydrophobicContact CD1-CD1 4.24Å; I297-L302 HydrophobicContact CG1-CD1 3.58Å; L302-M332 HydrophobicContact CD2-CE 3.24Å
303T89.8Confident82.3Confident60 Ų6088.6 Ų88.637%0.36846%0.461SS..EExtended strand (participates in β ladder)trans-103.8129.4171.1-53.90000108.4S295 N296 Y305S295-T303 CarbonylContact C-O 3.56Å; S295-T303 WeakPolarHBondContact CA-O 3.13Å; S295-T303 WeakPolarHBondContact CB-O 3.28Å; N296-T303 PolarHBondContact N-O 3.14Å; N296-T303 PolarHBondContact O-N 3.01Å; T303-Y305 HydrophobicContact CG2-CE2 3.89Å
304S87.2Confident82.3Confident42 Ų4281.6 Ų81.629%0.29444%0.438SS..EExtended strand (participates in β ladder)trans-128.913817480.50000111.8N294N294-S304 WeakPolarHBondContact O-CA 3.28Å
305Y82.5Confident82.3Confident170 Ų17087.9 Ų87.967%0.66746%0.462SS*.  trans-103.2108.6175.2-61-87.3000109.3N294 T303 G307N294-Y305 WeakPolarHBondContact CB-O 3.43Å; N294-Y305 PolarHBondContact ND2-O 3.46Å; N294-Y305 VanDerWaalsContact ND2-O 3.14Å; N294-Y305 PolarHBondContact O-N 2.89Å; T303-Y305 HydrophobicContact CG2-CE2 3.89Å; Y305-G307 PolarHBondContact O-N 3.37Å
306P74.8Confident82.5Confident54 Ų5492.9 Ų92.935%0.35148%0.48SS..  trans-62.2133.9-17525.4-34.2000111.1G308 K310 F330P306-G308 PolarHBondContact O-N 2.99Å; P306-K310 HydrophobicContact CB-CG 3.91Å; P306-K310 HydrophobicContact CG-CG 4.26Å; P306-F330 HydrophobicContact CB-CD2 3.73Å; P306-F330 HydrophobicContact CB-CE2 4.03Å; P306-F330 HydrophobicContact CG-CD2 4.15Å; P306-F330 HydrophobicContact CG-CE2 3.92Å
307G69.6Low82.5Confident49 Ų4987.9 Ų87.951%0.50545%0.454SS..SBendtrans-69.8124.3174.300000111.6Y305Y305-G307 PolarHBondContact O-N 3.37Å
308G70Confident82.8Confident63 Ų6389.3 Ų89.365%0.64947%0.465SS*.SBendtrans81.8174178.200000114.4P306 K310P306-G308 PolarHBondContact O-N 2.99Å; G308-K310 PolarHBondContact O-N 2.88Å
309E67.7Low83.2Confident132 Ų13288.6 Ų88.662%0.61746%0.463SS*.  trans-73.2112.9-173.1-140.1-169.7-143.900111.7K311 N378E309-K311 WeakPolarHBondContact OE2-CE 3.45Å; E309-K311 IonicContact OE2-NZ 2.76Å; E309-N378 PolarHBondContact OE1-ND2 3.4Å
310K82.1Confident83.7Confident76 Ų7681.4 Ų81.433%0.3343%0.425SS..  trans-107.294.6175.9-65.1-66.9-175.4176.60110.2P306 G308 L324 D327 F330P306-K310 HydrophobicContact CB-CG 3.91Å; P306-K310 HydrophobicContact CG-CG 4.26Å; G308-K310 PolarHBondContact O-N 2.88Å; K310-L324 HydrophobicContact CB-CD2 4.29Å; K310-L324 HydrophobicContact CD-CD2 4.35Å; K310-D327 IonicContact NZ-OD2 3.85Å; K310-D327 PolarHBondContact NZ-OD2 3.26Å; K310-F330 HydrophobicContact CD-CD2 4.44Å; K310-F330 HydrophobicContact CG-CD2 4.11Å; K310-F330 HydrophobicContact CG-CE2 4.47Å
311K81.8Confident84.3Confident147 Ų14773.4 Ų73.464%0.63940%0.395SS*.  trans-66.6136.6-179.3-68.1-171176.4-171.70112.4E309 R323E309-K311 WeakPolarHBondContact OE2-CE 3.45Å; E309-K311 IonicContact OE2-NZ 2.76Å; K311-R323 PolarHBondContact O-NH2 3.1Å
312F88.2Confident84.7Confident32 Ų3273.2 Ų73.214%0.1439%0.391CS..  trans-127.4127.5170.4-164.6-83.2000110.7L314 A317 S320 F321 L324 I353 L373 I375F312-L314 HydrophobicContact CD1-CD2 4.25Å; F312-L314 HydrophobicContact CE1-CD2 4.23Å; F312-A317 HydrophobicContact CE1-CB 3.88Å; F312-A317 HydrophobicContact CZ-CB 4.11Å; F312-A317 WeakPolarHBondContact CZ-O 3.45Å; F312-S320 VanDerWaalsContact CD2-CB 3.48Å; F312-S320 VanDerWaalsContact CE2-CB 3.48Å; F312-F321 HydrophobicContact CE2-CB 4.1Å; F312-F321 HydrophobicContact CZ-CB 4.25Å; F312-L324 HydrophobicContact CD2-CD1 3.64Å; F312-L324 HydrophobicContact CE2-CD1 4.21Å; F312-I353 HydrophobicContact CE1-CD1 4.44Å; F312-I353 HydrophobicContact CE1-CG1 4Å; F312-I353 HydrophobicContact CE2-CG2 4.31Å; F312-I353 HydrophobicContact CZ-CB 4.38Å; F312-I353 HydrophobicContact CZ-CG1 3.96Å; F312-I353 HydrophobicContact CZ-CG2 3.79Å; F312-L373 HydrophobicContact CE2-CD1 4.34Å; F312-I375 HydrophobicContact CB-CD1 3.62Å; F312-I375 HydrophobicContact CB-CG2 3.94Å; F312-I375 HydrophobicContact CD1-CD1 3.29Å; F312-I375 HydrophobicContact CD1-CG2 4.47Å; F312-I375 HydrophobicContact CD2-CD1 3.3Å; F312-I375 HydrophobicContact CE1-CD1 3.62Å; F312-I375 HydrophobicContact CE2-CD1 3.63Å; F312-I375 HydrophobicContact CG-CD1 3.12Å; F312-I375 HydrophobicContact CG-CG2 4.41Å; F312-I375 HydrophobicContact CZ-CD1 3.79Å
313D86.6Confident84.9Confident65 Ų6577.9 Ų77.935%0.34841%0.406SS..  trans-95.6108.6175.4178.9-6.8000109.2K315 K316 A317 S320D313-K315 VanDerWaalsContact C-N 3.27Å; D313-K315 PolarHBondContact O-N 2.94Å; D313-K315 WeakPolarHBondContact OD1-CA 3.29Å; D313-K315 WeakPolarHBondContact OD1-CB 3.35Å; D313-K315 PolarHBondContact OD1-N 2.96Å; D313-K316 HydrophobicContact CB-CB 4.21Å; D313-K316 CarbonylContact O-C 3.5Å; D313-K316 WeakPolarHBondContact O-CA 3.39Å; D313-K316 PolarHBondContact O-N 2.92Å; D313-K316 PolarHBondContact OD1-N 2.84Å; D313-K316 WeakPolarHBondContact OD2-CD 3.35Å; D313-A317 PolarHBondContact O-N 3.36Å; D313-A317 VanDerWaalsContact O-N 3.08Å; D313-S320 PolarHBondContact N-OG 2.77Å; D313-S320 PolarHBondContact O-OG 2.7Å
314L84.1Confident85.1Confident50 Ų5075.7 Ų75.726%0.26239%0.392SS..G310 helixtrans-62.5-31.2178.8-72.8169.2000113F312 K316 A317 K346 S351 I353F312-L314 HydrophobicContact CD1-CD2 4.25Å; F312-L314 HydrophobicContact CE1-CD2 4.23Å; L314-K316 PolarHBondContact O-N 3.38Å; L314-A317 PolarHBondContact O-N 3.04Å; L314-K346 HydrophobicContact CD2-CG 4.38Å; L314-S351 WeakPolarHBondContact CD1-OG 3.44Å; L314-S351 VanDerWaalsContact CD2-OG 3.28Å; L314-S351 WeakPolarHBondContact CD2-OG 3.16Å; L314-I353 HydrophobicContact CD2-CD1 4.12Å
315K82.9Confident85.4Confident201 Ų20174 Ų7487%0.87438%0.38SS*.G310 helixtrans-70.3-22175.1-64.6-177.8178.3176.30111.7D313D313-K315 VanDerWaalsContact C-N 3.27Å; D313-K315 PolarHBondContact O-N 2.94Å; D313-K315 WeakPolarHBondContact OD1-CA 3.29Å; D313-K315 WeakPolarHBondContact OD1-CB 3.35Å; D313-K315 PolarHBondContact OD1-N 2.96Å
316K89.2Confident85.8Confident129 Ų12973.2 Ų73.256%0.56138%0.38SS*.G310 helixtrans-119.639.8176.4-65-176.8-176.6173.30111.6D313 L314 T318 S319 S320D313-K316 HydrophobicContact CB-CB 4.21Å; D313-K316 CarbonylContact O-C 3.5Å; D313-K316 WeakPolarHBondContact O-CA 3.39Å; D313-K316 PolarHBondContact O-N 2.92Å; D313-K316 PolarHBondContact OD1-N 2.84Å; D313-K316 WeakPolarHBondContact OD2-CD 3.35Å; L314-K316 PolarHBondContact O-N 3.38Å; K316-T318 VanDerWaalsContact C-N 3.32Å; K316-T318 PolarHBondContact O-N 2.79Å; K316-S319 PolarHBondContact O-N 2.84Å; K316-S319 PolarHBondContact O-OG 2.98Å; K316-S320 PolarHBondContact O-N 2.85Å; K316-S320 PolarHBondContact O-OG 3.07Å
317A89.1Confident86.6Confident3 Ų372.8 Ų72.83%0.02538%0.375CS..Hα-helixtrans-51-46.1-171.300000113.7F312 D313 L314 S319 S320 F321 Y339F312-A317 HydrophobicContact CE1-CB 3.88Å; F312-A317 HydrophobicContact CZ-CB 4.11Å; F312-A317 WeakPolarHBondContact CZ-O 3.45Å; D313-A317 PolarHBondContact O-N 3.36Å; D313-A317 VanDerWaalsContact O-N 3.08Å; L314-A317 PolarHBondContact O-N 3.04Å; A317-S319 VanDerWaalsContact C-N 3.33Å; A317-S319 PolarHBondContact O-N 3.29Å; A317-S320 PolarHBondContact O-N 2.78Å; A317-F321 VanDerWaalsContact O-CB 3.26Å; A317-F321 WeakPolarHBondContact O-CB 3.3Å; A317-F321 PolarHBondContact O-N 2.9Å; A317-Y339 HydrophobicContact CB-CE1 4.21Å
318T91.1Very high87.3Confident75 Ų7573.7 Ų73.746%0.4638%0.377SS..Hα-helixtrans-59.3-43.1177.7-47.70000112.4K316 N322 Y339K316-T318 VanDerWaalsContact C-N 3.32Å; K316-T318 PolarHBondContact O-N 2.79Å; T318-N322 WeakPolarHBondContact O-CB 3.49Å; T318-N322 PolarHBondContact O-N 3.25Å; T318-N322 PolarHBondContact O-ND2 3.49Å; T318-Y339 HydrophobicContact CG2-CD1 4.14Å; T318-Y339 WeakPolarHBondContact OG1-CD1 3.37Å
319S91.7Very high88Confident72 Ų7275 Ų7550%0.50337%0.369SS..Hα-helixtrans-72.1-40.7-179.4-9.40000111.2K316 A317 R323K316-S319 PolarHBondContact O-N 2.84Å; K316-S319 PolarHBondContact O-OG 2.98Å; A317-S319 VanDerWaalsContact C-N 3.33Å; A317-S319 PolarHBondContact O-N 3.29Å; S319-R323 WeakPolarHBondContact O-CB 3.2Å; S319-R323 PolarHBondContact O-N 2.67Å
320S92.7Very high89Confident4 Ų469.8 Ų69.83%0.02834%0.344CS..Hα-helixtrans-63.4-45.5176.7-62.90000111.5F312 D313 K316 A317 R323 L324F312-S320 VanDerWaalsContact CD2-CB 3.48Å; F312-S320 VanDerWaalsContact CE2-CB 3.48Å; D313-S320 PolarHBondContact N-OG 2.77Å; D313-S320 PolarHBondContact O-OG 2.7Å; K316-S320 PolarHBondContact O-N 2.85Å; K316-S320 PolarHBondContact O-OG 3.07Å; A317-S320 PolarHBondContact O-N 2.78Å; S320-R323 WeakPolarHBondContact O-CB 3.37Å; S320-R323 PolarHBondContact O-N 3.21Å; S320-L324 PolarHBondContact O-N 3.42Å
321F94.5Very high89.3Confident0 Ų067.2 Ų67.20%033%0.334CS..Hα-helixtrans-60.2-54176-173.4-88.6000111F312 A317 R323 L324 M325 Y339 I353 V371 L373F312-F321 HydrophobicContact CE2-CB 4.1Å; F312-F321 HydrophobicContact CZ-CB 4.25Å; A317-F321 VanDerWaalsContact O-CB 3.26Å; A317-F321 WeakPolarHBondContact O-CB 3.3Å; A317-F321 PolarHBondContact O-N 2.9Å; F321-R323 PolarHBondContact O-N 2.89Å; F321-R323 VanDerWaalsContact O-N 3.13Å; F321-L324 PolarHBondContact O-N 3.34Å; F321-M325 HydrophobicContact CD1-CG 3.6Å; F321-M325 HydrophobicContact CD2-CE 4.21Å; F321-M325 HydrophobicContact CE1-CE 4.2Å; F321-M325 HydrophobicContact CE1-CG 3.27Å; F321-M325 HydrophobicContact CE1-SD 3.91Å; F321-M325 HydrophobicContact CE2-CE 3.69Å; F321-M325 HydrophobicContact CE2-CG 4.45Å; F321-M325 HydrophobicContact CE2-SD 4.39Å; F321-M325 HydrophobicContact CG-CG 4.32Å; F321-M325 HydrophobicContact CZ-CE 3.66Å; F321-M325 HydrophobicContact CZ-CG 3.74Å; F321-M325 HydrophobicContact CZ-SD 3.74Å; F321-M325 WeakPolarHBondContact O-CG 3.43Å; F321-M325 PolarHBondContact O-N 3.47Å; F321-Y339 HydrophobicContact CB-CD2 4.34Å; F321-Y339 HydrophobicContact CB-CG 4.32Å; F321-Y339 HydrophobicContact CD1-CG 4.38Å; F321-Y339 HydrophobicContact CD2-CD2 4.14Å; F321-Y339 HydrophobicContact CG-CD2 4.08Å; F321-Y339 HydrophobicContact CG-CG 4.23Å; F321-I353 HydrophobicContact CD2-CG2 3.63Å; F321-I353 HydrophobicContact CE2-CG2 4.29Å; F321-I353 HydrophobicContact CG-CG2 4.49Å; F321-V371 HydrophobicContact CE2-CG1 4.18Å; F321-V371 HydrophobicContact CZ-CG1 3.85Å; F321-L373 HydrophobicContact CD2-CD1 3.72Å; F321-L373 HydrophobicContact CD2-CG 4.48Å; F321-L373 HydrophobicContact CE2-CD1 3.92Å; F321-L373 HydrophobicContact CE2-CG 4.26Å
322N93.1Very high89.6Confident71 Ų7161.1 Ų61.138%0.3831%0.308SS..Hα-helixtrans-60.9-26.9179.1-72.2-11.4000113.4T318 K326T318-N322 WeakPolarHBondContact O-CB 3.49Å; T318-N322 PolarHBondContact O-N 3.25Å; T318-N322 PolarHBondContact O-ND2 3.49Å; N322-K326 WeakPolarHBondContact O-CG 3.41Å
323R94.2Very high89.5Confident141 Ų14164 Ų6453%0.53233%0.325SS..Hα-helixtrans-71.4-47.8173.4178-177.163.2-170.5-2.9110.9K311 S319 S320 F321 K326K311-R323 PolarHBondContact O-NH2 3.1Å; S319-R323 WeakPolarHBondContact O-CB 3.2Å; S319-R323 PolarHBondContact O-N 2.67Å; S320-R323 WeakPolarHBondContact O-CB 3.37Å; S320-R323 PolarHBondContact O-N 3.21Å; F321-R323 PolarHBondContact O-N 2.89Å; F321-R323 VanDerWaalsContact O-N 3.13Å; R323-K326 PolarHBondContact O-N 3.13Å
324L93.3Very high89.6Confident13 Ų1361.1 Ų61.17%0.06831%0.311CS..Hα-helixtrans-65.7-39.3179.1-74.1176.7000112.1K310 F312 S320 F321 K326 D327 F330 L373K310-L324 HydrophobicContact CB-CD2 4.29Å; K310-L324 HydrophobicContact CD-CD2 4.35Å; F312-L324 HydrophobicContact CD2-CD1 3.64Å; F312-L324 HydrophobicContact CE2-CD1 4.21Å; S320-L324 PolarHBondContact O-N 3.42Å; F321-L324 PolarHBondContact O-N 3.34Å; L324-K326 PolarHBondContact O-N 3.11Å; L324-K326 VanDerWaalsContact O-N 3.08Å; L324-D327 WeakPolarHBondContact O-CB 3.23Å; L324-D327 PolarHBondContact O-N 3.41Å; L324-F330 HydrophobicContact CB-CD1 3.82Å; L324-F330 HydrophobicContact CB-CE1 3.71Å; L324-F330 HydrophobicContact CB-CG 4.48Å; L324-F330 HydrophobicContact CB-CZ 4.26Å; L324-F330 HydrophobicContact CD1-CE1 4.13Å; L324-F330 HydrophobicContact CD1-CE2 4.28Å; L324-F330 HydrophobicContact CD1-CZ 3.84Å; L324-F330 HydrophobicContact CD2-CD1 4.31Å; L324-F330 HydrophobicContact CD2-CD2 4.06Å; L324-F330 HydrophobicContact CD2-CE1 4.41Å; L324-F330 HydrophobicContact CD2-CE2 4.14Å; L324-F330 HydrophobicContact CD2-CG 4.15Å; L324-F330 HydrophobicContact CD2-CZ 4.31Å; L324-F330 HydrophobicContact CG-CE1 4.31Å; L324-F330 HydrophobicContact CG-CZ 4.37Å; L324-L373 HydrophobicContact CD1-CD1 4.09Å
325M93.8Very high89.9Confident7 Ų766.4 Ų66.43%0.03433%0.334CS..THydrogen-bonded Turntrans-63.3-12.9175.4-70-52.9117.900114.5F321 F330 I331 G334 Y337 V371 L373F321-M325 HydrophobicContact CD1-CG 3.6Å; F321-M325 HydrophobicContact CD2-CE 4.21Å; F321-M325 HydrophobicContact CE1-CE 4.2Å; F321-M325 HydrophobicContact CE1-CG 3.27Å; F321-M325 HydrophobicContact CE1-SD 3.91Å; F321-M325 HydrophobicContact CE2-CE 3.69Å; F321-M325 HydrophobicContact CE2-CG 4.45Å; F321-M325 HydrophobicContact CE2-SD 4.39Å; F321-M325 HydrophobicContact CG-CG 4.32Å; F321-M325 HydrophobicContact CZ-CE 3.66Å; F321-M325 HydrophobicContact CZ-CG 3.74Å; F321-M325 HydrophobicContact CZ-SD 3.74Å; F321-M325 WeakPolarHBondContact O-CG 3.43Å; F321-M325 PolarHBondContact O-N 3.47Å; M325-F330 HydrophobicContact CE-CE1 4.05Å; M325-I331 HydrophobicContact CE-CD1 3.76Å; M325-I331 HydrophobicContact CE-CG2 4.31Å; M325-I331 HydrophobicContact SD-CD1 3.79Å; M325-I331 HydrophobicContact SD-CG2 4Å; M325-G334 WeakPolarHBondContact CB-O 3.37Å; M325-G334 CarbonylContact O-C 3.57Å; M325-G334 WeakPolarHBondContact O-CA 3.47Å; M325-Y337 HydrophobicContact SD-CD2 4.31Å; M325-Y337 HydrophobicContact SD-CG 4.42Å; M325-V371 HydrophobicContact CE-CG1 4.32Å; M325-V371 HydrophobicContact SD-CG1 4.42Å; M325-L373 HydrophobicContact CE-CD1 4.04Å; M325-L373 HydrophobicContact CE-CD2 4.21Å; M325-L373 HydrophobicContact CE-CG 4.45Å
326K92.2Very high90.2Very high153 Ų15362.1 Ų62.167%0.66532%0.317SS*.THydrogen-bonded Turntrans-95.7-7.8173.7-72.5177-179.2-177.60113.2N322 R323 L324N322-K326 WeakPolarHBondContact O-CG 3.41Å; R323-K326 PolarHBondContact O-N 3.13Å; L324-K326 PolarHBondContact O-N 3.11Å; L324-K326 VanDerWaalsContact O-N 3.08Å
327D89.9Confident90.3Very high46 Ų4658 Ų5825%0.24630%0.298CS..  trans-91.1102.9-177.9-174.5-4.1000109.6K310 L324 D329 F330 I331K310-D327 IonicContact NZ-OD2 3.85Å; K310-D327 PolarHBondContact NZ-OD2 3.26Å; L324-D327 WeakPolarHBondContact O-CB 3.23Å; L324-D327 PolarHBondContact O-N 3.41Å; D327-D329 PolarHBondContact O-N 2.66Å; D327-D329 PolarHBondContact OD1-N 3.08Å; D327-D329 VanDerWaalsContact OD1-N 3.15Å; D327-F330 HydrophobicContact CB-CB 3.87Å; D327-F330 WeakPolarHBondContact O-CB 3.38Å; D327-F330 PolarHBondContact O-N 3.16Å; D327-I331 PolarHBondContact O-N 3.35Å; D327-I331 VanDerWaalsContact O-N 3.09Å
328A86.2Confident90.5Very high67 Ų6761.3 Ų61.355%0.55432%0.318SS*.THydrogen-bonded Turntrans-67.5-17.4-177.700000113.5F330A328-F330 VanDerWaalsContact C-N 3.29Å
329D84.4Confident90.6Very high90 Ų9058.4 Ų58.448%0.48130%0.299SS..THydrogen-bonded Turntrans-80.4-15.1171.4-74.4-42000112.1T290 D327T290-D329 WeakPolarHBondContact CB-OD1 3.16Å; T290-D329 HydrophobicContact CG2-CB 4.2Å; T290-D329 PolarHBondContact OG1-OD1 3.07Å; D327-D329 PolarHBondContact O-N 2.66Å; D327-D329 PolarHBondContact OD1-N 3.08Å; D327-D329 VanDerWaalsContact OD1-N 3.15Å
330F87.6Confident90.6Very high23 Ų2356.1 Ų56.110%0.10128%0.281CS..THydrogen-bonded Turntrans-97.5-43.6-178.5176.2-96.7000112.4P306 K310 L324 M325 D327 A328 L373P306-F330 HydrophobicContact CB-CD2 3.73Å; P306-F330 HydrophobicContact CB-CE2 4.03Å; P306-F330 HydrophobicContact CG-CD2 4.15Å; P306-F330 HydrophobicContact CG-CE2 3.92Å; K310-F330 HydrophobicContact CD-CD2 4.44Å; K310-F330 HydrophobicContact CG-CD2 4.11Å; K310-F330 HydrophobicContact CG-CE2 4.47Å; L324-F330 HydrophobicContact CB-CD1 3.82Å; L324-F330 HydrophobicContact CB-CE1 3.71Å; L324-F330 HydrophobicContact CB-CG 4.48Å; L324-F330 HydrophobicContact CB-CZ 4.26Å; L324-F330 HydrophobicContact CD1-CE1 4.13Å; L324-F330 HydrophobicContact CD1-CE2 4.28Å; L324-F330 HydrophobicContact CD1-CZ 3.84Å; L324-F330 HydrophobicContact CD2-CD1 4.31Å; L324-F330 HydrophobicContact CD2-CD2 4.06Å; L324-F330 HydrophobicContact CD2-CE1 4.41Å; L324-F330 HydrophobicContact CD2-CE2 4.14Å; L324-F330 HydrophobicContact CD2-CG 4.15Å; L324-F330 HydrophobicContact CD2-CZ 4.31Å; L324-F330 HydrophobicContact CG-CE1 4.31Å; L324-F330 HydrophobicContact CG-CZ 4.37Å; M325-F330 HydrophobicContact CE-CE1 4.05Å; D327-F330 HydrophobicContact CB-CB 3.87Å; D327-F330 WeakPolarHBondContact O-CB 3.38Å; D327-F330 PolarHBondContact O-N 3.16Å; A328-F330 VanDerWaalsContact C-N 3.29Å; F330-L373 HydrophobicContact CE1-CD1 4.41Å; F330-L373 HydrophobicContact CE1-CD2 3.83Å; F330-L373 HydrophobicContact CZ-CD1 4.3Å; F330-L373 HydrophobicContact CZ-CD2 3.65Å
331I89.4Confident90.4Very high23 Ų2359 Ų5912%0.11830%0.299CS..  trans-147144-176.6-166.1162.2000112.6I291 M325 D327 Y337 V371I291-I331 VanDerWaalsContact CD1-C 3.45Å; M325-I331 HydrophobicContact CE-CD1 3.76Å; M325-I331 HydrophobicContact CE-CG2 4.31Å; M325-I331 HydrophobicContact SD-CD1 3.79Å; M325-I331 HydrophobicContact SD-CG2 4Å; D327-I331 PolarHBondContact O-N 3.35Å; D327-I331 VanDerWaalsContact O-N 3.09Å; I331-Y337 HydrophobicContact CD1-CE2 4.48Å; I331-V371 HydrophobicContact CD1-CB 4.26Å; I331-V371 HydrophobicContact CD1-CG1 4.49Å; I331-V371 HydrophobicContact CD1-CG2 3.58Å
332M86.6Confident89.9Confident18 Ų1866.7 Ų66.79%0.08934%0.341CS..THydrogen-bonded Turntrans-77.5136.2173.8-58.6-175.5-62.100109.9L282 L283 N288 I291 L302 G334L282-M332 HydrophobicContact CB-CE 4.18Å; L282-M332 HydrophobicContact CB-SD 4.09Å; L283-M332 HydrophobicContact CD2-CE 4.05Å; L283-M332 HydrophobicContact CD2-SD 3.81Å; N288-M332 HydrophobicContact CB-CG 4.23Å; N288-M332 HydrophobicContact CB-SD 3.86Å; N288-M332 VanDerWaalsContact CG-SD 3.56Å; N288-M332 PolarHBondContact ND2-SD 2.99Å; I291-M332 HydrophobicContact CD1-CB 4.48Å; I291-M332 HydrophobicContact CD1-CG 3.52Å; L302-M332 HydrophobicContact CD2-CE 3.24Å; M332-G334 PolarHBondContact O-N 3.2Å
333D86.7Confident89.5Confident94 Ų9467.4 Ų67.450%0.50334%0.344SS..THydrogen-bonded Turntrans49.432.7175.2-57.6-46.2000114.5Q335 E336D333-Q335 PolarHBondContact O-N 2.92Å; D333-E336 PolarHBondContact O-N 3.48Å
334G89.5Confident89.2Confident4 Ų461.4 Ų61.44%0.04132%0.323CS..G310 helixtrans-55-23.2-172.900000115.1M325 M332 E336 Y337M325-G334 WeakPolarHBondContact CB-O 3.37Å; M325-G334 CarbonylContact O-C 3.57Å; M325-G334 WeakPolarHBondContact O-CA 3.47Å; M332-G334 PolarHBondContact O-N 3.2Å; G334-E336 PolarHBondContact O-N 3.19Å; G334-Y337 PolarHBondContact O-N 3.46Å
335Q89.5Confident88.8Confident161 Ų16167.7 Ų67.775%0.75235%0.35SS*.G310 helixtrans-66.7-16.5178.3-62.6-129.21.100114.2D333 Y337D333-Q335 PolarHBondContact O-N 2.92Å; Q335-Y337 VanDerWaalsContact C-N 3.34Å
336E89.8Confident88.2Confident111 Ų11172.7 Ų72.752%0.51937%0.372SS..G310 helixtrans-80.2-19.2176.5-57.8-158163.100112.9D333 G334 Q357D333-E336 PolarHBondContact O-N 3.48Å; G334-E336 PolarHBondContact O-N 3.19Å; E336-Q357 HydrophobicContact CB-CG 3.94Å; E336-Q357 WeakPolarHBondContact O-CA 3.46Å; E336-Q357 PolarHBondContact OE2-NE2 2.86Å
337Y92.2Very high87.1Confident42 Ų4269.2 Ų69.217%0.16536%0.361CS..EExtended strand (participates in β ladder)trans-89.2129-176.7-60.5-85.9000112M325 I331 G334 Q335 Q357 S369 V371M325-Y337 HydrophobicContact SD-CD2 4.31Å; M325-Y337 HydrophobicContact SD-CG 4.42Å; I331-Y337 HydrophobicContact CD1-CE2 4.48Å; G334-Y337 PolarHBondContact O-N 3.46Å; Q335-Y337 VanDerWaalsContact C-N 3.34Å; Y337-Q357 HydrophobicContact CD1-CG 4.14Å; Y337-Q357 HydrophobicContact CE1-CG 3.96Å; Y337-S369 WeakPolarHBondContact CE1-O 3.44Å; Y337-V371 HydrophobicContact CD1-CB 4Å; Y337-V371 HydrophobicContact CD1-CG1 3.68Å; Y337-V371 HydrophobicContact CE1-CB 4.01Å; Y337-V371 HydrophobicContact CE1-CG1 4.22Å; Y337-V371 HydrophobicContact CG-CB 4.48Å; Y337-V371 HydrophobicContact CG-CG1 3.9Å
338T92Very high85.6Confident73 Ų7373 Ų7345%0.44838%0.381SS..EExtended strand (participates in β ladder)trans-104.8134.7171.4-56.60000109.7L340 G355 A356 S358T338-L340 PolarHBondContact O-N 2.61Å; T338-G355 CarbonylContact O-C 3.48Å; T338-G355 WeakPolarHBondContact O-CA 3.38Å; T338-A356 PolarHBondContact N-O 2.85Å; T338-A356 PolarHBondContact O-N 2.91Å; T338-S358 PolarHBondContact OG1-OG 3.44Å
339Y94.1Very high84.2Confident13 Ų1373.9 Ų73.95%0.05137%0.373CS..EExtended strand (participates in β ladder)trans-62.8132.2176.5176.2-128.1000111.8A317 T318 F321 P341 S344 K346 I353 V354A317-Y339 HydrophobicContact CB-CE1 4.21Å; T318-Y339 HydrophobicContact CG2-CD1 4.14Å; T318-Y339 WeakPolarHBondContact OG1-CD1 3.37Å; F321-Y339 HydrophobicContact CB-CD2 4.34Å; F321-Y339 HydrophobicContact CB-CG 4.32Å; F321-Y339 HydrophobicContact CD1-CG 4.38Å; F321-Y339 HydrophobicContact CD2-CD2 4.14Å; F321-Y339 HydrophobicContact CG-CD2 4.08Å; F321-Y339 HydrophobicContact CG-CG 4.23Å; Y339-P341 HydrophobicContact CD1-CB 4.41Å; Y339-P341 HydrophobicContact CE1-CB 3.69Å; Y339-P341 HydrophobicContact CE1-CG 4.29Å; Y339-P341 WeakPolarHBondContact O-CD 3.15Å; Y339-S344 WeakPolarHBondContact CE2-OG 3.41Å; Y339-K346 WeakPolarHBondContact OH-CE 3.19Å; Y339-K346 PolarHBondContact OH-NZ 3.25Å; Y339-I353 HydrophobicContact CD2-CG2 3.84Å; Y339-I353 HydrophobicContact CE2-CG2 3.48Å; Y339-I353 VanDerWaalsContact CE2-CG2 3.48Å; Y339-V354 WeakPolarHBondContact CD2-O 3.44Å
340L91.5Very high83.3Confident24 Ų2473.3 Ų73.313%0.12637%0.37CS..  trans-112.991.1178.8-62.1179.1000110.7T338 D342 I343 S344 V354 A356 P363 V365T338-L340 PolarHBondContact O-N 2.61Å; L340-D342 VanDerWaalsContact C-N 3.33Å; L340-D342 PolarHBondContact O-N 2.85Å; L340-I343 HydrophobicContact CB-CD1 3.86Å; L340-I343 HydrophobicContact CB-CG1 3.69Å; L340-I343 HydrophobicContact CD1-CD1 3.6Å; L340-I343 HydrophobicContact CD1-CG1 4.37Å; L340-I343 HydrophobicContact CG-CD1 4.41Å; L340-S344 WeakPolarHBondContact O-CB 3.49Å; L340-S344 PolarHBondContact O-N 2.82Å; L340-S344 PolarHBondContact O-OG 2.72Å; L340-V354 PolarHBondContact N-O 3.25Å; L340-A356 HydrophobicContact CD1-CB 3.62Å; L340-A356 HydrophobicContact CG-CB 4.5Å; L340-P363 HydrophobicContact CD1-CB 4.3Å; L340-P363 HydrophobicContact CD2-CB 3.7Å; L340-P363 HydrophobicContact CD2-CG 3.77Å; L340-V365 HydrophobicContact CD1-CG2 3.71Å
341P87.8Confident82.9Confident64 Ų6472.3 Ų72.342%0.41637%0.366SS..G310 helixtrans-64.7-34.1-174.922.4-30.7000113.6Y339 I343 S344Y339-P341 HydrophobicContact CD1-CB 4.41Å; Y339-P341 HydrophobicContact CE1-CB 3.69Å; Y339-P341 HydrophobicContact CE1-CG 4.29Å; Y339-P341 WeakPolarHBondContact O-CD 3.15Å; P341-I343 VanDerWaalsContact C-N 3.3Å; P341-I343 PolarHBondContact O-N 3.09Å; P341-S344 PolarHBondContact O-N 2.89Å
342D83.4Confident83Confident163 Ų16376.1 Ų76.187%0.87238%0.381SS*.G310 helixtrans-72.4-23.3-170.5-58.2-28.3000113.5L340L340-D342 VanDerWaalsContact C-N 3.33Å; L340-D342 PolarHBondContact O-N 2.85Å
343I85.7Confident83.2Confident85 Ų8575.2 Ų75.244%0.43638%0.377SS..G310 helixtrans-107.3-3.5176.164.4174.1000112.4L340 P341 V354 V365L340-I343 HydrophobicContact CB-CD1 3.86Å; L340-I343 HydrophobicContact CB-CG1 3.69Å; L340-I343 HydrophobicContact CD1-CD1 3.6Å; L340-I343 HydrophobicContact CD1-CG1 4.37Å; L340-I343 HydrophobicContact CG-CD1 4.41Å; P341-I343 VanDerWaalsContact C-N 3.3Å; P341-I343 PolarHBondContact O-N 3.09Å; I343-V354 HydrophobicContact CD1-CB 4.08Å; I343-V354 HydrophobicContact CD1-CG1 3.65Å; I343-V354 HydrophobicContact CG1-CB 4.02Å; I343-V354 HydrophobicContact CG1-CG1 4.17Å; I343-V354 HydrophobicContact CG1-CG2 4.47Å; I343-V365 HydrophobicContact CD1-CG1 3.54Å
344S87.7Confident83.5Confident15 Ų1571.3 Ų71.311%0.10536%0.357CS..  trans-80.5127.1175.3-67.10000109.7Y339 L340 P341 K352 V354Y339-S344 WeakPolarHBondContact CE2-OG 3.41Å; L340-S344 WeakPolarHBondContact O-CB 3.49Å; L340-S344 PolarHBondContact O-N 2.82Å; L340-S344 PolarHBondContact O-OG 2.72Å; P341-S344 PolarHBondContact O-N 2.89Å; S344-K352 CarbonylContact C-O 3.5Å; S344-K352 VanDerWaalsContact CA-O 3.3Å; S344-K352 WeakPolarHBondContact CA-O 3.07Å; S344-V354 PolarHBondContact OG-N 3.37Å; S344-V354 PolarHBondContact OG-O 3.37Å
345K84.2Confident83.7Confident146 Ų14671.1 Ų71.164%0.63536%0.355SS*.BIsolated β-bridgetrans-92114.2174.7-125.5-175.1179.4-168.20108.9S351 K352K345-S351 CarbonylContact O-C 3.53Å; K345-S351 VanDerWaalsContact O-CA 3.3Å; K345-S351 WeakPolarHBondContact O-CA 3.46Å; K345-K352 PolarHBondContact N-O 3.2Å; K345-K352 PolarHBondContact O-N 2.81Å
346K81Confident83.9Confident111 Ų11163.5 Ų63.548%0.48332%0.319SS..  trans-98.598.1172.7-63.4178.9-169.5173.20107.6L314 Y339 S351 I353L314-K346 HydrophobicContact CD2-CG 4.38Å; Y339-K346 WeakPolarHBondContact OH-CE 3.19Å; Y339-K346 PolarHBondContact OH-NZ 3.25Å; K346-S351 WeakPolarHBondContact CA-OG 3.28Å; K346-I353 HydrophobicContact CG-CD1 3.94Å
347D71.1Confident83.9Confident81 Ų8160 Ų6043%0.43330%0.302SS..  trans-107154.4176.2-140.1-45.8000110.1E349 L350 S351D347-E349 PolarHBondContact O-N 3.28Å; D347-L350 WeakPolarHBondContact CB-O 3.38Å; D347-S351 PolarHBondContact N-OG 3.39Å; D347-S351 PolarHBondContact O-OG 3.02Å
348D57.1Low83.5Confident126 Ų12660.2 Ų60.267%0.67431%0.31SS*.SBendtrans-71.5-20.9-175.4-90.6-24.5000112.7K377D348-K377 WeakPolarHBondContact O-CD 3.5Å
349E57Low82.8Confident85 Ų8563.3 Ų63.340%0.39732%0.315SS..SBendtrans-102.6-56.4177.9-69-176.8158.400112.5D347 K377 K592D347-E349 PolarHBondContact O-N 3.28Å; E349-K377 PolarHBondContact O-N 3.39Å; E349-K592 WeakPolarHBondContact OE2-CE 3.32Å; E349-K592 IonicContact OE2-NZ 3.61Å; E349-K592 PolarHBondContact OE2-NZ 3.03Å
350L64.8Low82.2Confident78 Ų7870.7 Ų70.741%0.40835%0.35SS..EExtended strand (participates in β ladder)trans-135.4100.2-173.8-147.7138.6000109.7D347 D374 E376D347-L350 WeakPolarHBondContact CB-O 3.38Å; L350-D374 HydrophobicContact CD2-CB 4.32Å; L350-E376 HydrophobicContact CD1-CG 3.74Å; L350-E376 WeakPolarHBondContact CD1-OE1 3.47Å; L350-E376 HydrophobicContact CG-CG 4.02Å
351S80.7Confident81.3Confident1 Ų172.9 Ų72.91%0.00738%0.378CS..EExtended strand (participates in β ladder)trans-90124.7-179.3-80.30000110.4L314 K345 K346 D347 I375L314-S351 WeakPolarHBondContact CD1-OG 3.44Å; L314-S351 VanDerWaalsContact CD2-OG 3.28Å; L314-S351 WeakPolarHBondContact CD2-OG 3.16Å; K345-S351 CarbonylContact O-C 3.53Å; K345-S351 VanDerWaalsContact O-CA 3.3Å; K345-S351 WeakPolarHBondContact O-CA 3.46Å; K346-S351 WeakPolarHBondContact CA-OG 3.28Å; D347-S351 PolarHBondContact N-OG 3.39Å; D347-S351 PolarHBondContact O-OG 3.02Å; S351-I375 PolarHBondContact N-O 3.02Å; S351-I375 PolarHBondContact O-N 3.08Å
352K90.1Very high80.6Confident103 Ų10374.9 Ų74.945%0.44838%0.384SS..EExtended strand (participates in β ladder)trans-94.1105.5169.7-68-150.1171.1-166.40110.3S344 K345 T372 D374S344-K352 CarbonylContact C-O 3.5Å; S344-K352 VanDerWaalsContact CA-O 3.3Å; S344-K352 WeakPolarHBondContact CA-O 3.07Å; K345-K352 PolarHBondContact N-O 3.2Å; K345-K352 PolarHBondContact O-N 2.81Å; K352-T372 HydrophobicContact CB-CG2 4.3Å; K352-T372 HydrophobicContact CD-CG2 4.13Å; K352-D374 WeakPolarHBondContact CD-OD1 3.33Å; K352-D374 WeakPolarHBondContact CE-OD1 3.44Å; K352-D374 WeakPolarHBondContact CG-OD1 3.16Å; K352-D374 IonicContact NZ-OD1 2.65Å
353I92.5Very high80.3Confident0 Ų069.4 Ų69.40%036%0.357CS..EExtended strand (participates in β ladder)trans-98.9116.7178.7-57.7-53.2000108.6F312 L314 F321 Y339 K346 L373 I375F312-I353 HydrophobicContact CE1-CD1 4.44Å; F312-I353 HydrophobicContact CE1-CG1 4Å; F312-I353 HydrophobicContact CE2-CG2 4.31Å; F312-I353 HydrophobicContact CZ-CB 4.38Å; F312-I353 HydrophobicContact CZ-CG1 3.96Å; F312-I353 HydrophobicContact CZ-CG2 3.79Å; L314-I353 HydrophobicContact CD2-CD1 4.12Å; F321-I353 HydrophobicContact CD2-CG2 3.63Å; F321-I353 HydrophobicContact CE2-CG2 4.29Å; F321-I353 HydrophobicContact CG-CG2 4.49Å; Y339-I353 HydrophobicContact CD2-CG2 3.84Å; Y339-I353 HydrophobicContact CE2-CG2 3.48Å; Y339-I353 VanDerWaalsContact CE2-CG2 3.48Å; K346-I353 HydrophobicContact CG-CD1 3.94Å; I353-L373 HydrophobicContact CB-CB 4.24Å; I353-L373 PolarHBondContact N-O 3.26Å; I353-L373 PolarHBondContact O-N 3.03Å; I353-I375 HydrophobicContact CB-CD1 4.17Å; I353-I375 HydrophobicContact CG1-CD1 3.53Å; I353-I375 HydrophobicContact CG1-CG1 4.01Å
354V92.8Very high80Confident12 Ų1267 Ų677%0.07334%0.344CS..EExtended strand (participates in β ladder)trans-105.1138.8-174.6-172.90000110.6Y339 L340 I343 S344 R370 V371 T372Y339-V354 WeakPolarHBondContact CD2-O 3.44Å; L340-V354 PolarHBondContact N-O 3.25Å; I343-V354 HydrophobicContact CD1-CB 4.08Å; I343-V354 HydrophobicContact CD1-CG1 3.65Å; I343-V354 HydrophobicContact CG1-CB 4.02Å; I343-V354 HydrophobicContact CG1-CG1 4.17Å; I343-V354 HydrophobicContact CG1-CG2 4.47Å; S344-V354 PolarHBondContact OG-N 3.37Å; S344-V354 PolarHBondContact OG-O 3.37Å; V354-R370 HydrophobicContact CG1-CG 3.58Å; V354-V371 WeakPolarHBondContact CA-O 3.44Å; V354-T372 HydrophobicContact CG2-CG2 4.42Å
355G93.8Very high79.5Confident0 Ų069.5 Ų69.50%036%0.358CS..EExtended strand (participates in β ladder)trans-133.5161.4162.800000111.1T338 R370 V371T338-G355 CarbonylContact O-C 3.48Å; T338-G355 WeakPolarHBondContact O-CA 3.38Å; G355-R370 WeakPolarHBondContact O-CA 3.27Å; G355-V371 PolarHBondContact N-O 3.15Å; G355-V371 PolarHBondContact O-N 2.87Å; G355-V371 VanDerWaalsContact O-O 3.12Å
356A92.1Very high79.3Confident0 Ų063.5 Ų63.50%033%0.333CS..EExtended strand (participates in β ladder)trans-145.4155.5178.100000112.6T338 L340 F364 S369T338-A356 PolarHBondContact N-O 2.85Å; T338-A356 PolarHBondContact O-N 2.91Å; L340-A356 HydrophobicContact CD1-CB 3.62Å; L340-A356 HydrophobicContact CG-CB 4.5Å; A356-F364 WeakPolarHBondContact CB-O 3.16Å; A356-S369 CarbonylContact C-O 3.52Å; A356-S369 VanDerWaalsContact CA-O 3.26Å; A356-S369 WeakPolarHBondContact CA-O 3.33Å
357Q90.6Very high79.3Confident37 Ų3764.7 Ų64.717%0.17334%0.34CS..EExtended strand (participates in β ladder)trans-63.6154.8170.7-68.2171.4-35.800111.3E336 Y337 P363 F364 S369E336-Q357 HydrophobicContact CB-CG 3.94Å; E336-Q357 WeakPolarHBondContact O-CA 3.46Å; E336-Q357 PolarHBondContact OE2-NE2 2.86Å; Y337-Q357 HydrophobicContact CD1-CG 4.14Å; Y337-Q357 HydrophobicContact CE1-CG 3.96Å; Q357-P363 WeakPolarHBondContact O-CA 3.42Å; Q357-F364 PolarHBondContact O-N 2.94Å; Q357-S369 PolarHBondContact N-O 3.13Å
358S83.4Confident79.9Confident47 Ų4763 Ų6333%0.32933%0.333SS..EExtended strand (participates in β ladder)trans-129.3142.1-176.8-38.20000111.2T338 I362T338-S358 PolarHBondContact OG1-OG 3.44Å; S358-I362 CarbonylContact C-O 3.49Å; S358-I362 VanDerWaalsContact CA-O 3.24Å; S358-I362 WeakPolarHBondContact CA-O 3.12Å
359Y78.4Confident81.3Confident138 Ų13857 Ų5754%0.54130%0.301SS..EExtended strand (participates in β ladder)trans-121.7128.6167.8-176.5-97.3000109.8G361 I362 F364Y359-G361 PolarHBondContact O-N 3.14Å; Y359-I362 PolarHBondContact N-O 3.3Å; Y359-I362 PolarHBondContact O-N 3.31Å; Y359-F364 HydrophobicContact CD1-CZ 4.49Å; Y359-F364 HydrophobicContact CG-CE2 4.36Å; Y359-F364 AromaticContact CG-CZ 4Å; Y359-F364 HydrophobicContact CG-CZ 4Å
360E80.1Confident82.9Confident169 Ų16957.3 Ų57.379%0.7930%0.299SS*.THydrogen-bonded Turntrans50.632-175.9-64.7-172.5176.900113.8I362E360-I362 VanDerWaalsContact C-N 3.33Å
361G73.2Confident84.2Confident69 Ų6954.5 Ų54.571%0.71129%0.285SS*.THydrogen-bonded Turntrans82.93.3179.900000115.1Y359Y359-G361 PolarHBondContact O-N 3.14Å
362I72.9Confident84.8Confident106 Ų10657 Ų5754%0.54430%0.3SS..EExtended strand (participates in β ladder)trans-99.9121174.7-55176.2000108.6S358 Y359 E360S358-I362 CarbonylContact C-O 3.49Å; S358-I362 VanDerWaalsContact CA-O 3.24Å; S358-I362 WeakPolarHBondContact CA-O 3.12Å; Y359-I362 PolarHBondContact N-O 3.3Å; Y359-I362 PolarHBondContact O-N 3.31Å; E360-I362 VanDerWaalsContact C-N 3.33Å
363P77.1Confident84.9Confident49 Ų4953 Ų5332%0.31828%0.283SS..EExtended strand (participates in β ladder)trans-73.8135.517627.8-31.2000111.6L340 Q357L340-P363 HydrophobicContact CD1-CB 4.3Å; L340-P363 HydrophobicContact CD2-CB 3.7Å; L340-P363 HydrophobicContact CD2-CG 3.77Å; Q357-P363 WeakPolarHBondContact O-CA 3.42Å
364F79.8Confident84.7Confident34 Ų3457.7 Ų57.715%0.14931%0.308CS..  trans-88.6111.3172.4-59-68000109.4L272 A356 Q357 Y359 D366 S369L272-F364 HydrophobicContact CB-CD1 3.79Å; L272-F364 HydrophobicContact CB-CE1 3.36Å; L272-F364 HydrophobicContact CB-CZ 4.45Å; L272-F364 HydrophobicContact CD1-CE1 3.87Å; L272-F364 HydrophobicContact CG-CE1 4.11Å; A356-F364 WeakPolarHBondContact CB-O 3.16Å; Q357-F364 PolarHBondContact O-N 2.94Å; Y359-F364 HydrophobicContact CD1-CZ 4.49Å; Y359-F364 HydrophobicContact CG-CE2 4.36Å; Y359-F364 AromaticContact CG-CZ 4Å; Y359-F364 HydrophobicContact CG-CZ 4Å; F364-D366 PolarHBondContact O-N 3.08Å; F364-S369 VanDerWaalsContact CB-OG 3.3Å; F364-S369 WeakPolarHBondContact CB-OG 3.46Å; F364-S369 PolarHBondContact O-OG 3.29Å
365V76.7Confident84.3Confident68 Ų6858.2 Ų58.241%0.41231%0.311SS..  trans-10266.5-177.9-166.80000109.5L340 I343L340-V365 HydrophobicContact CD1-CG2 3.71Å; I343-V365 HydrophobicContact CD1-CG1 3.54Å
366D80Confident83.3Confident20 Ų2064.5 Ų64.511%0.10734%0.34CS..SBendtrans-127.3173.6169.678.841.5000111Y271 F364 T368 S369 R370Y271-D366 HydrophobicContact CE1-CB 4.32Å; F364-D366 PolarHBondContact O-N 3.08Å; D366-T368 PolarHBondContact O-N 2.94Å; D366-T368 WeakPolarHBondContact OD1-CA 3.29Å; D366-T368 VanDerWaalsContact OD1-CB 3.29Å; D366-T368 WeakPolarHBondContact OD1-CB 3.4Å; D366-T368 PolarHBondContact OD1-N 2.89Å; D366-T368 PolarHBondContact OD1-OG1 3.04Å; D366-S369 PolarHBondContact O-N 3.06Å; D366-S369 PolarHBondContact O-OG 3.25Å; D366-S369 PolarHBondContact OD1-N 3.01Å; D366-R370 WeakPolarHBondContact O-CB 2.93Å; D366-R370 PolarHBondContact O-N 2.89Å
367E80.3Confident82.1Confident135 Ų13569.7 Ų69.763%0.63136%0.363SS*.THydrogen-bonded Turntrans-61.9-25.6-176.7-60.2-72.9132.100113.5R370E367-R370 IonicContact OE1-CZ 3.96Å; E367-R370 VanDerWaalsContact OE1-CZ 3.32Å; E367-R370 IonicContact OE1-NH1 3.79Å; E367-R370 PolarHBondContact OE1-NH1 3.32Å; E367-R370 IonicContact OE1-NH2 3.7Å; E367-R370 PolarHBondContact OE1-NH2 2.82Å; E367-R370 IonicContact OE2-CZ 2.86Å; E367-R370 IonicContact OE2-NH2 3.45Å; E367-R370 PolarHBondContact OE2-NH2 3.07Å
368T83.8Confident80.3Confident47 Ų4772.1 Ų72.129%0.28838%0.377SS..THydrogen-bonded Turntrans-83.4-22.1-174.770.50000113.9Q276 D366Q276-T368 HydrophobicContact CB-CG2 4.19Å; D366-T368 PolarHBondContact O-N 2.94Å; D366-T368 WeakPolarHBondContact OD1-CA 3.29Å; D366-T368 VanDerWaalsContact OD1-CB 3.29Å; D366-T368 WeakPolarHBondContact OD1-CB 3.4Å; D366-T368 PolarHBondContact OD1-N 2.89Å; D366-T368 PolarHBondContact OD1-OG1 3.04Å
369S87.6Confident78.7Confident0 Ų072.5 Ų72.50%038%0.375CS..THydrogen-bonded Turntrans-116.42.8-173.755.40000113.9Y337 A356 Q357 F364 D366Y337-S369 WeakPolarHBondContact CE1-O 3.44Å; A356-S369 CarbonylContact C-O 3.52Å; A356-S369 VanDerWaalsContact CA-O 3.26Å; A356-S369 WeakPolarHBondContact CA-O 3.33Å; Q357-S369 PolarHBondContact N-O 3.13Å; F364-S369 VanDerWaalsContact CB-OG 3.3Å; F364-S369 WeakPolarHBondContact CB-OG 3.46Å; F364-S369 PolarHBondContact O-OG 3.29Å; D366-S369 PolarHBondContact O-N 3.06Å; D366-S369 PolarHBondContact O-OG 3.25Å; D366-S369 PolarHBondContact OD1-N 3.01Å
370R90.1Very high77.2Confident90 Ų9073.4 Ų73.434%0.3439%0.389SS..EExtended strand (participates in β ladder)trans-99.7141.7-171.7-175.8177.274.5-147.8-3.8112.3V354 G355 D366 E367V354-R370 HydrophobicContact CG1-CG 3.58Å; G355-R370 WeakPolarHBondContact O-CA 3.27Å; D366-R370 WeakPolarHBondContact O-CB 2.93Å; D366-R370 PolarHBondContact O-N 2.89Å; E367-R370 IonicContact OE1-CZ 3.96Å; E367-R370 VanDerWaalsContact OE1-CZ 3.32Å; E367-R370 IonicContact OE1-NH1 3.79Å; E367-R370 PolarHBondContact OE1-NH1 3.32Å; E367-R370 IonicContact OE1-NH2 3.7Å; E367-R370 PolarHBondContact OE1-NH2 2.82Å; E367-R370 IonicContact OE2-CZ 2.86Å; E367-R370 IonicContact OE2-NH2 3.45Å; E367-R370 PolarHBondContact OE2-NH2 3.07Å
371V92.1Very high75.9Confident20 Ų2071 Ų7112%0.12138%0.378CS..EExtended strand (participates in β ladder)trans-113.2139.2158.668.20000109.5F321 M325 I331 Y337 V354 G355 L373F321-V371 HydrophobicContact CE2-CG1 4.18Å; F321-V371 HydrophobicContact CZ-CG1 3.85Å; M325-V371 HydrophobicContact CE-CG1 4.32Å; M325-V371 HydrophobicContact SD-CG1 4.42Å; I331-V371 HydrophobicContact CD1-CB 4.26Å; I331-V371 HydrophobicContact CD1-CG1 4.49Å; I331-V371 HydrophobicContact CD1-CG2 3.58Å; Y337-V371 HydrophobicContact CD1-CB 4Å; Y337-V371 HydrophobicContact CD1-CG1 3.68Å; Y337-V371 HydrophobicContact CE1-CB 4.01Å; Y337-V371 HydrophobicContact CE1-CG1 4.22Å; Y337-V371 HydrophobicContact CG-CB 4.48Å; Y337-V371 HydrophobicContact CG-CG1 3.9Å; V354-V371 WeakPolarHBondContact CA-O 3.44Å; G355-V371 PolarHBondContact N-O 3.15Å; G355-V371 PolarHBondContact O-N 2.87Å; G355-V371 VanDerWaalsContact O-O 3.12Å; V371-L373 HydrophobicContact CG2-CD2 4.17Å
372T93.3Very high75.6Confident54 Ų5470 Ų7033%0.33136%0.355SS..EExtended strand (participates in β ladder)trans-122.1124.9172.2-58.40000108.8K352 V354K352-T372 HydrophobicContact CB-CG2 4.3Å; K352-T372 HydrophobicContact CD-CG2 4.13Å; V354-T372 HydrophobicContact CG2-CG2 4.42Å
373L92Very high75.9Confident17 Ų1765 Ų659%0.08933%0.329CS..EExtended strand (participates in β ladder)trans-100.2117.1171.6-51-178.4000107.8F312 F321 L324 M325 F330 I353 V371 I375F312-L373 HydrophobicContact CE2-CD1 4.34Å; F321-L373 HydrophobicContact CD2-CD1 3.72Å; F321-L373 HydrophobicContact CD2-CG 4.48Å; F321-L373 HydrophobicContact CE2-CD1 3.92Å; F321-L373 HydrophobicContact CE2-CG 4.26Å; L324-L373 HydrophobicContact CD1-CD1 4.09Å; M325-L373 HydrophobicContact CE-CD1 4.04Å; M325-L373 HydrophobicContact CE-CD2 4.21Å; M325-L373 HydrophobicContact CE-CG 4.45Å; F330-L373 HydrophobicContact CE1-CD1 4.41Å; F330-L373 HydrophobicContact CE1-CD2 3.83Å; F330-L373 HydrophobicContact CZ-CD1 4.3Å; F330-L373 HydrophobicContact CZ-CD2 3.65Å; I353-L373 HydrophobicContact CB-CB 4.24Å; I353-L373 PolarHBondContact N-O 3.26Å; I353-L373 PolarHBondContact O-N 3.03Å; V371-L373 HydrophobicContact CG2-CD2 4.17Å; L373-I375 HydrophobicContact CB-CD1 4.39Å; L373-I375 HydrophobicContact CB-CG1 4.17Å
374D88.1Confident76.4Confident99 Ų9964.2 Ų64.253%0.52932%0.322SS..EExtended strand (participates in β ladder)trans-84.6119.1167.6-66.4-28.6000107.8L350 K352L350-D374 HydrophobicContact CD2-CB 4.32Å; K352-D374 WeakPolarHBondContact CD-OD1 3.33Å; K352-D374 WeakPolarHBondContact CE-OD1 3.44Å; K352-D374 WeakPolarHBondContact CG-OD1 3.16Å; K352-D374 IonicContact NZ-OD1 2.65Å
375I85.5Confident77.1Confident23 Ų2362.6 Ų62.612%0.11832%0.315CS..EExtended strand (participates in β ladder)trans-117.3109.3-174.5-50.2-159.8000108.6F312 S351 I353 L373F312-I375 HydrophobicContact CB-CD1 3.62Å; F312-I375 HydrophobicContact CB-CG2 3.94Å; F312-I375 HydrophobicContact CD1-CD1 3.29Å; F312-I375 HydrophobicContact CD1-CG2 4.47Å; F312-I375 HydrophobicContact CD2-CD1 3.3Å; F312-I375 HydrophobicContact CE1-CD1 3.62Å; F312-I375 HydrophobicContact CE2-CD1 3.63Å; F312-I375 HydrophobicContact CG-CD1 3.12Å; F312-I375 HydrophobicContact CG-CG2 4.41Å; F312-I375 HydrophobicContact CZ-CD1 3.79Å; S351-I375 PolarHBondContact N-O 3.02Å; S351-I375 PolarHBondContact O-N 3.08Å; I353-I375 HydrophobicContact CB-CD1 4.17Å; I353-I375 HydrophobicContact CG1-CD1 3.53Å; I353-I375 HydrophobicContact CG1-CG1 4.01Å; L373-I375 HydrophobicContact CB-CD1 4.39Å; L373-I375 HydrophobicContact CB-CG1 4.17Å
376E73.1Confident77.9Confident132 Ų13259.4 Ų59.462%0.61730%0.295SS*.EExtended strand (participates in β ladder)trans-88.8137.8172.8-70.6178.7164.700110.1L350 N378L350-E376 HydrophobicContact CD1-CG 3.74Å; L350-E376 WeakPolarHBondContact CD1-OE1 3.47Å; L350-E376 HydrophobicContact CG-CG 4.02Å; E376-N378 PolarHBondContact O-N 2.74Å
377K66.3Low78.7Confident110 Ų11058.5 Ų58.548%0.47829%0.291SS..  trans-74.8109.6174.9-176.5177.6171.7-170.80108.7D348 E349 N379D348-K377 WeakPolarHBondContact O-CD 3.5Å; E349-K377 PolarHBondContact O-N 3.39Å; K377-N379 WeakPolarHBondContact CE-OD1 3.49Å; K377-N379 PolarHBondContact O-N 2.88Å
378N53.5Low79.5Confident88 Ų8852.1 Ų52.147%0.47126%0.261SS..  trans-67.7101.9172.6-154.74.3000108.2E309 E376E309-N378 PolarHBondContact OE1-ND2 3.4Å; E376-N378 PolarHBondContact O-N 2.74Å
379N49.6Very low80.1Confident54 Ų5449.9 Ų49.929%0.28925%0.247SC..  trans-90.7113.2175.5-83.8-25.2000106.1K377 Q381 E382K377-N379 WeakPolarHBondContact CE-OD1 3.49Å; K377-N379 PolarHBondContact O-N 2.88Å; N379-Q381 PolarHBondContact O-N 2.99Å; N379-E382 HydrophobicContact CB-CG 4.07Å; N379-E382 PolarHBondContact N-OE1 3.42Å; N379-E382 VanDerWaalsContact O-CD 3.29Å; N379-E382 WeakPolarHBondContact O-CG 3.47Å; N379-E382 PolarHBondContact O-N 3.06Å
380D47.2Very low80.5Confident157 Ų15750 Ų5084%0.8425%0.248SC*.THydrogen-bonded Turntrans-63.121.9170.9-73.4-42.4000113.1
381Q51.4Low80.6Confident119 Ų11945.9 Ų45.956%0.55623%0.233SC*.THydrogen-bonded Turntrans-130.315.7-178.3-58-151.6-81.300113.5N379 D516N379-Q381 PolarHBondContact O-N 2.99Å; Q381-D516 PolarHBondContact NE2-OD2 2.76Å; Q381-D516 PolarHBondContact OE1-OD2 2.9Å
382E67.2Low80.4Confident49 Ų4947.1 Ų47.123%0.22924%0.243CC..  trans-64135.9-168.8-80.4161.6-16500113.9N379 A643 I644N379-E382 HydrophobicContact CB-CG 4.07Å; N379-E382 PolarHBondContact N-OE1 3.42Å; N379-E382 VanDerWaalsContact O-CD 3.29Å; N379-E382 WeakPolarHBondContact O-CG 3.47Å; N379-E382 PolarHBondContact O-N 3.06Å; E382-A643 HydrophobicContact CB-CB 3.76Å; E382-A643 HydrophobicContact CG-CB 3.6Å; E382-A643 WeakPolarHBondContact OE2-CB 3.4Å; E382-I644 WeakPolarHBondContact CA-O 3.32Å
383Q80.1Confident80.3Confident1 Ų147.8 Ų47.81%0.00525%0.247CC..  trans-84.4109.2161-179.2179.31400107.6I385 L399 E400 L494 K515 A643 I644Q383-I385 HydrophobicContact CG-CG1 4.39Å; Q383-L399 HydrophobicContact CG-CD2 4.14Å; Q383-L399 HydrophobicContact CG-CG 4.37Å; Q383-E400 CarbonylContact C-O 3.48Å; Q383-E400 WeakPolarHBondContact CA-O 3.36Å; Q383-L494 HydrophobicContact CG-CD2 4.31Å; Q383-K515 HydrophobicContact CB-CB 4.09Å; Q383-K515 HydrophobicContact CB-CG 4.33Å; Q383-A643 WeakPolarHBondContact O-CA 3.32Å; Q383-I644 PolarHBondContact N-O 2.87Å; Q383-I644 VanDerWaalsContact N-O 3.1Å; Q383-I644 PolarHBondContact O-N 3.42Å
384I87.3Confident80.5Confident32 Ų3247 Ų4716%0.16424%0.243CC..EExtended strand (participates in β ladder)trans-88.7132.9178.6-60.9167.2000109.6L399 E400 L641 Y642I384-L399 CarbonylContact O-C 3.59Å; I384-L399 WeakPolarHBondContact O-CA 3.4Å; I384-E400 HydrophobicContact CB-CB 4.13Å; I384-E400 HydrophobicContact CD1-CG 4.44Å; I384-E400 PolarHBondContact N-O 2.85Å; I384-E400 PolarHBondContact O-N 3.38Å; I384-L641 HydrophobicContact CG2-CB 4.06Å; I384-L641 HydrophobicContact CG2-CD2 3.45Å; I384-L641 VanDerWaalsContact CG2-CD2 3.45Å; I384-L641 HydrophobicContact CG2-CG 4.26Å; I384-Y642 CarbonylContact C-O 3.57Å; I384-Y642 WeakPolarHBondContact CA-O 3.11Å
385I93Very high80.9Confident0 Ų042.7 Ų42.70%022%0.22CC..EExtended strand (participates in β ladder)trans-126.1136.8-176.6-62.3158.8000108.5Q383 I387 L397 L399 F520 Y642 I644Q383-I385 HydrophobicContact CG-CG1 4.39Å; I385-I387 HydrophobicContact CG2-CD1 4.24Å; I385-L397 HydrophobicContact CG2-CD1 3.92Å; I385-L399 HydrophobicContact CG1-CD1 4.48Å; I385-L399 HydrophobicContact CG1-CG 4.5Å; I385-F520 HydrophobicContact CD1-CB 3.55Å; I385-F520 HydrophobicContact CD1-CD1 4.32Å; I385-F520 HydrophobicContact CD1-CD2 3.6Å; I385-F520 HydrophobicContact CD1-CE2 4.34Å; I385-F520 HydrophobicContact CD1-CG 3.56Å; I385-F520 HydrophobicContact CG1-CB 4.45Å; I385-F520 HydrophobicContact CG1-CG 4.27Å; I385-F520 HydrophobicContact CG2-CD1 4.39Å; I385-F520 HydrophobicContact CG2-CD2 4.22Å; I385-F520 HydrophobicContact CG2-CE1 4.13Å; I385-F520 HydrophobicContact CG2-CE2 3.92Å; I385-F520 HydrophobicContact CG2-CG 4.42Å; I385-F520 HydrophobicContact CG2-CZ 3.85Å; I385-Y642 PolarHBondContact N-O 3.37Å; I385-Y642 PolarHBondContact O-N 3.26Å; I385-I644 HydrophobicContact CD1-CD1 3.17Å; I385-I644 HydrophobicContact CD1-CG1 3.62Å
386N94Very high81.5Confident0 Ų041.8 Ų41.80%022%0.216CC..EExtended strand (participates in β ladder)trans-146.9117.6176.6-170.2-118.7000111.3L388 L397 Y398 T639 E640 L641N386-L388 PolarHBondContact O-N 2.84Å; N386-L388 VanDerWaalsContact O-N 3.16Å; N386-L388 WeakPolarHBondContact OD1-CD2 3.12Å; N386-L397 WeakPolarHBondContact O-CD1 3.38Å; N386-Y398 HydrophobicContact CB-CD1 4.13Å; N386-Y398 PolarHBondContact N-O 2.72Å; N386-Y398 PolarHBondContact O-N 3.16Å; N386-T639 PolarHBondContact ND2-O 3Å; N386-T639 PolarHBondContact ND2-OG1 2.86Å; N386-E640 PolarHBondContact ND2-O 3.3Å; N386-E640 VanDerWaalsContact ND2-O 3.09Å; N386-L641 HydrophobicContact CB-CD2 3.75Å
387I97Very high82.7Confident2 Ų235.6 Ų35.61%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-81.599.5174.1-58.972.4000105.8I385 A389 L397 L544 Y595 T633 A638 T639I385-I387 HydrophobicContact CG2-CD1 4.24Å; I387-A389 VanDerWaalsContact C-N 3.34Å; I387-L397 HydrophobicContact CB-CD1 4.47Å; I387-L397 HydrophobicContact CD1-CD1 4.14Å; I387-L397 HydrophobicContact CG1-CD1 3.86Å; I387-L544 HydrophobicContact CG1-CD1 4.23Å; I387-L544 HydrophobicContact CG1-CD2 4.42Å; I387-Y595 HydrophobicContact CD1-CD1 3.66Å; I387-Y595 HydrophobicContact CD1-CD2 3.82Å; I387-Y595 HydrophobicContact CD1-CE1 3.88Å; I387-Y595 HydrophobicContact CD1-CE2 4.03Å; I387-Y595 HydrophobicContact CD1-CG 3.64Å; I387-Y595 HydrophobicContact CG1-CD1 4.46Å; I387-Y595 HydrophobicContact CG1-CG 4.36Å; I387-T633 HydrophobicContact CB-CG2 4.2Å; I387-T633 HydrophobicContact CG1-CG2 4.24Å; I387-T633 HydrophobicContact CG2-CG2 3.81Å; I387-A638 WeakPolarHBondContact O-CA 3.39Å; I387-T639 HydrophobicContact CB-CG2 3.87Å; I387-T639 HydrophobicContact CD1-CG2 4.4Å; I387-T639 PolarHBondContact N-OG1 3.1Å; I387-T639 VanDerWaalsContact N-OG1 3.08Å; I387-T639 PolarHBondContact O-N 3.35Å
388L96.6Very high84.2Confident0 Ų030.4 Ų30.40%016%0.164CC..EExtended strand (participates in β ladder)trans-67.8-39.9-178.6-66173000110.9N386 S396 L407 I417 L420 L421 S637 A638N386-L388 PolarHBondContact O-N 2.84Å; N386-L388 VanDerWaalsContact O-N 3.16Å; N386-L388 WeakPolarHBondContact OD1-CD2 3.12Å; L388-S396 WeakPolarHBondContact CB-O 3.45Å; L388-S396 PolarHBondContact N-O 3.4Å; L388-L407 HydrophobicContact CD1-CD1 3.7Å; L388-I417 HydrophobicContact CD1-CG2 4.27Å; L388-L420 HydrophobicContact CB-CB 4.17Å; L388-L420 HydrophobicContact CB-CD1 4.24Å; L388-L420 HydrophobicContact CD2-CB 3.93Å; L388-L420 WeakPolarHBondContact O-CD1 3.29Å; L388-L421 HydrophobicContact CD1-CD2 3.93Å; L388-L421 HydrophobicContact CD1-CG 4.07Å; L388-L421 HydrophobicContact CD2-CD2 4.06Å; L388-L421 HydrophobicContact CD2-CG 4.34Å; L388-S637 CarbonylContact O-C 3.59Å; L388-A638 HydrophobicContact CD2-CB 4.33Å
389A96.3Very high86.2Confident1 Ų126.2 Ų26.21%0.00814%0.142CC..EExtended strand (participates in β ladder)trans-158.9144.8174.300000110.8I387 N395 S396 L412 L420 D634 P635I387-A389 VanDerWaalsContact C-N 3.34Å; A389-N395 WeakPolarHBondContact O-CA 3.46Å; A389-S396 PolarHBondContact N-O 3.44Å; A389-S396 PolarHBondContact O-N 3.47Å; A389-L412 HydrophobicContact CB-CD1 3.31Å; A389-L412 HydrophobicContact CB-CG 4.32Å; A389-L420 HydrophobicContact CB-CD1 4.18Å; A389-D634 VanDerWaalsContact CA-O 3.31Å; A389-D634 WeakPolarHBondContact CA-O 3.34Å; A389-P635 WeakPolarHBondContact CB-O 3.33Å
390S96.2Very high88.4Confident3 Ų324.5 Ų24.52%0.02113%0.132CC..  trans-147.6134.9168.7-165.60000112.8N395 G597 H598 T633 D634 P635S390-N395 VanDerWaalsContact CA-OD1 3.27Å; S390-N395 WeakPolarHBondContact CA-OD1 3.46Å; S390-N395 PolarHBondContact OG-OD1 2.97Å; S390-N395 VanDerWaalsContact OG-OD1 3.05Å; S390-G597 WeakPolarHBondContact OG-CA 3.37Å; S390-H598 PolarHBondContact OG-N 3.38Å; S390-T633 WeakPolarHBondContact CB-OG1 3.36Å; S390-D634 PolarHBondContact N-O 3.34Å; S390-D634 CarbonylContact O-C 3.59Å; S390-P635 WeakPolarHBondContact O-CA 3.3Å
391G93.6Very high90.5Very high2 Ų217.1 Ų17.12%0.0219%0.093CC..SBendtrans147.6171.3179.800000112.7T393 G394 N395 L599G391-T393 PolarHBondContact O-N 2.73Å; G391-G394 CarbonylContact O-C 3.46Å; G391-G394 PolarHBondContact O-N 2.66Å; G391-N395 PolarHBondContact N-OD1 2.79Å; G391-N395 PolarHBondContact O-ND2 3Å; G391-L599 WeakPolarHBondContact CA-O 3.36Å
392S88Confident92.2Very high47 Ų4714.8 Ų14.833%0.3299%0.088SC..THydrogen-bonded Turntrans-56.2-8.4-175.757.50000117.3L599 K601S392-L599 PolarHBondContact N-O 2.98Å; S392-K601 PolarHBondContact OG-N 2.98Å
393T90.5Very high93.5Very high68 Ų6818.1 Ų18.142%0.41710%0.103SC..THydrogen-bonded Turntrans-99.5-14.6178.651.30000113.8G391G391-T393 PolarHBondContact O-N 2.73Å
394G95.2Very high94.2Very high0 Ų020.8 Ų20.80%012%0.115CC..  trans160.6135.7-179.500000112.9G391 D442G391-G394 CarbonylContact O-C 3.46Å; G391-G394 PolarHBondContact O-N 2.66Å; G394-D442 CarbonylContact C-O 3.43Å; G394-D442 WeakPolarHBondContact CA-O 3.34Å
395N97.8Very high94.7Very high9 Ų922.5 Ų22.55%0.04812%0.12CC..  trans-117139.4177.5-60.3-73.6000110.7A389 S390 G391 G411 D442 H443 H598A389-N395 WeakPolarHBondContact O-CA 3.46Å; S390-N395 VanDerWaalsContact CA-OD1 3.27Å; S390-N395 WeakPolarHBondContact CA-OD1 3.46Å; S390-N395 PolarHBondContact OG-OD1 2.97Å; S390-N395 VanDerWaalsContact OG-OD1 3.05Å; G391-N395 PolarHBondContact N-OD1 2.79Å; G391-N395 PolarHBondContact O-ND2 3Å; N395-G411 WeakPolarHBondContact O-CA 3.33Å; N395-G411 PolarHBondContact O-N 2.78Å; N395-D442 PolarHBondContact N-O 2.84Å; N395-H443 PolarHBondContact ND2-CE1 2.75Å; N395-H443 PolarHBondContact ND2-NE2 3.1Å; N395-H598 VanDerWaalsContact CG-CD2 3.48Å; N395-H598 PolarHBondContact ND2-CD2 3.18Å; N395-H598 PolarHBondContact ND2-NE2 2.59Å; N395-H598 PolarHBondContact OD1-CD2 3.07Å
396S98.1Very high94.9Very high4 Ų422.5 Ų22.53%0.02812%0.12CC..EExtended strand (participates in β ladder)trans-159.8128.9172.3-161.70000110.3L388 A389 L407 V408 D409L388-S396 WeakPolarHBondContact CB-O 3.45Å; L388-S396 PolarHBondContact N-O 3.4Å; A389-S396 PolarHBondContact N-O 3.44Å; A389-S396 PolarHBondContact O-N 3.47Å; S396-L407 WeakPolarHBondContact OG-CD1 3.39Å; S396-V408 WeakPolarHBondContact CA-O 3.34Å; S396-D409 PolarHBondContact OG-O 3.01Å
397L97.9Very high95.1Very high1 Ų122.5 Ų22.51%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-114.3134.3174.8176.681.7000109.3I385 N386 I387 L407 V408 F520 M522I385-L397 HydrophobicContact CG2-CD1 3.92Å; N386-L397 WeakPolarHBondContact O-CD1 3.38Å; I387-L397 HydrophobicContact CB-CD1 4.47Å; I387-L397 HydrophobicContact CD1-CD1 4.14Å; I387-L397 HydrophobicContact CG1-CD1 3.86Å; L397-L407 CarbonylContact O-C 3.56Å; L397-L407 WeakPolarHBondContact O-CA 3.2Å; L397-V408 HydrophobicContact CB-CB 4.13Å; L397-V408 HydrophobicContact CB-CG2 4.48Å; L397-V408 HydrophobicContact CD2-CB 4.39Å; L397-V408 HydrophobicContact CD2-CG2 4.01Å; L397-V408 PolarHBondContact N-O 3.3Å; L397-V408 PolarHBondContact O-N 3.1Å; L397-F520 HydrophobicContact CD1-CE1 4.1Å; L397-F520 HydrophobicContact CD1-CZ 4.22Å; L397-F520 HydrophobicContact CD2-CD1 4.18Å; L397-F520 HydrophobicContact CD2-CE1 3.49Å; L397-F520 VanDerWaalsContact CD2-CE1 3.49Å; L397-F520 HydrophobicContact CD2-CZ 4.37Å; L397-F520 HydrophobicContact CG-CE1 4.46Å; L397-M522 HydrophobicContact CB-CE 3.92Å; L397-M522 HydrophobicContact CB-SD 4.27Å; L397-M522 HydrophobicContact CD2-CE 4.03Å; L397-M522 HydrophobicContact CD2-CG 3.9Å; L397-M522 HydrophobicContact CD2-SD 3.34Å; L397-M522 WeakPolarHBondContact CD2-SD 3.38Å; L397-M522 HydrophobicContact CG-SD 4.41Å
398Y97.8Very high95.2Very high1 Ų122.4 Ų22.40%0.00412%0.119CC..EExtended strand (participates in β ladder)trans-101.6134.4167174.1-95.5000110N386 E400 R405 L421 R426 L431N386-Y398 HydrophobicContact CB-CD1 4.13Å; N386-Y398 PolarHBondContact N-O 2.72Å; N386-Y398 PolarHBondContact O-N 3.16Å; Y398-E400 HydrophobicContact CE1-CB 3.61Å; Y398-E400 VanDerWaalsContact OH-CD 3.26Å; Y398-E400 PolarHBondContact OH-OE2 3.39Å; Y398-R405 HydrophobicContact CE2-CB 4.06Å; Y398-R405 HydrophobicContact CE2-CG 4.46Å; Y398-R405 WeakPolarHBondContact OH-CD 3.45Å; Y398-R405 WeakPolarHBondContact OH-CG 3.5Å; Y398-L421 HydrophobicContact CD2-CD2 3.54Å; Y398-L421 HydrophobicContact CE2-CD2 4.02Å; Y398-L421 HydrophobicContact CG-CD2 3.97Å; Y398-R426 HydrophobicContact CE1-CG 4Å; Y398-R426 WeakPolarHBondContact OH-CD 3.19Å; Y398-L431 HydrophobicContact CD2-CD2 3.91Å; Y398-L431 HydrophobicContact CE2-CD2 3.82Å
399L96Very high95.2Very high0 Ų022.5 Ų22.50%012%0.12CC..EExtended strand (participates in β ladder)trans-134.3130.8178.4-165.2147.9000109.1Q383 I384 I385 R405 I406 L494 F513 F520Q383-L399 HydrophobicContact CG-CD2 4.14Å; Q383-L399 HydrophobicContact CG-CG 4.37Å; I384-L399 CarbonylContact O-C 3.59Å; I384-L399 WeakPolarHBondContact O-CA 3.4Å; I385-L399 HydrophobicContact CG1-CD1 4.48Å; I385-L399 HydrophobicContact CG1-CG 4.5Å; L399-R405 CarbonylContact O-C 3.57Å; L399-R405 WeakPolarHBondContact O-CA 3.17Å; L399-I406 PolarHBondContact N-O 3.04Å; L399-I406 PolarHBondContact O-N 3.18Å; L399-L494 HydrophobicContact CD2-CD1 3.37Å; L399-L494 HydrophobicContact CD2-CD2 3.63Å; L399-L494 HydrophobicContact CD2-CG 4.16Å; L399-F513 HydrophobicContact CD1-CB 3.85Å; L399-F513 HydrophobicContact CD1-CD1 3.64Å; L399-F513 HydrophobicContact CD1-CD2 3.68Å; L399-F513 HydrophobicContact CD1-CE1 4.12Å; L399-F513 HydrophobicContact CD1-CE2 4.16Å; L399-F513 HydrophobicContact CD1-CG 3.42Å; L399-F513 VanDerWaalsContact CD1-CG 3.42Å; L399-F513 HydrophobicContact CD1-CZ 4.38Å; L399-F513 HydrophobicContact CD2-CD1 4.39Å; L399-F520 HydrophobicContact CD1-CD1 4.34Å
400E94.1Very high95.3Very high18 Ų1822.5 Ų22.58%0.08412%0.119CC..EExtended strand (participates in β ladder)trans-130.3135.3-177.9169.2170.9-156.100110.7Q383 I384 Y398 K404 R405 R426Q383-E400 CarbonylContact C-O 3.48Å; Q383-E400 WeakPolarHBondContact CA-O 3.36Å; I384-E400 HydrophobicContact CB-CB 4.13Å; I384-E400 HydrophobicContact CD1-CG 4.44Å; I384-E400 PolarHBondContact N-O 2.85Å; I384-E400 PolarHBondContact O-N 3.38Å; Y398-E400 HydrophobicContact CE1-CB 3.61Å; Y398-E400 VanDerWaalsContact OH-CD 3.26Å; Y398-E400 PolarHBondContact OH-OE2 3.39Å; E400-K404 CarbonylContact C-O 3.59Å; E400-K404 WeakPolarHBondContact CA-O 3.31Å; E400-R405 HydrophobicContact CB-CG 4.11Å; E400-R405 HydrophobicContact CG-CG 3.86Å; E400-R405 IonicContact OE1-CZ 2.87Å; E400-R405 VanDerWaalsContact OE1-CZ 3.31Å; E400-R405 IonicContact OE1-NE 2.78Å; E400-R405 PolarHBondContact OE1-NE 3.09Å; E400-R405 IonicContact OE1-NH2 3.31Å; E400-R405 PolarHBondContact OE1-NH2 3.41Å; E400-R426 IonicContact OE1-NE 2.66Å; E400-R426 IonicContact OE2-CZ 3.05Å; E400-R426 IonicContact OE2-NE 3.26Å; E400-R426 PolarHBondContact OE2-NE 3.5Å; E400-R426 IonicContact OE2-NH2 2.68Å; E400-R426 PolarHBondContact OE2-NH2 3.05Å
401S92Very high95.4Very high2 Ų222.4 Ų22.41%0.01412%0.119CC..  trans-118.7173.7164.969.10000108.8Q403 K404 D493 L494S401-Q403 PolarHBondContact O-N 3.21Å; S401-Q403 PolarHBondContact OG-N 3.03Å; S401-K404 PolarHBondContact N-O 2.85Å; S401-K404 PolarHBondContact O-N 2.73Å; S401-K404 PolarHBondContact OG-N 2.75Å; S401-K404 PolarHBondContact OG-O 2.87Å; S401-D493 WeakPolarHBondContact CB-OD1 3.47Å; S401-D493 PolarHBondContact OG-OD1 2.76Å; S401-L494 WeakPolarHBondContact OG-CD1 3.44Å
402P88.1Confident95.5Very high71 Ų7123.1 Ų23.146%0.46112%0.122SC..SBendtrans-51.8-31.2173.3-30.537000114.5D493P402-D493 WeakPolarHBondContact CD-OD2 3.2Å
403Q93.7Very high96Very high118 Ų11823.2 Ų23.255%0.55112%0.123SC*.SBendtrans-105.5-21.1-177.6-57.4-175.12400115.4S401 D493S401-Q403 PolarHBondContact O-N 3.21Å; S401-Q403 PolarHBondContact OG-N 3.03Å; Q403-D493 WeakPolarHBondContact CB-OD1 3.32Å; Q403-D493 HydrophobicContact CG-CB 4.23Å
404K95.5Very high96.2Very high58 Ų5820.3 Ų20.325%0.25211%0.107SC..  trans-140.6143.1-169.8-69.8-64.6169.6-171.50114.1E400 S401 I406 D432 L491 L494E400-K404 CarbonylContact C-O 3.59Å; E400-K404 WeakPolarHBondContact CA-O 3.31Å; S401-K404 PolarHBondContact N-O 2.85Å; S401-K404 PolarHBondContact O-N 2.73Å; S401-K404 PolarHBondContact OG-N 2.75Å; S401-K404 PolarHBondContact OG-O 2.87Å; K404-I406 HydrophobicContact CB-CG1 4.4Å; K404-D432 WeakPolarHBondContact CA-OD2 3.23Å; K404-D432 HydrophobicContact CD-CB 3.67Å; K404-D432 VanDerWaalsContact CD-CG 3.41Å; K404-D432 WeakPolarHBondContact CD-OD1 3.21Å; K404-D432 IonicContact NZ-OD1 2.86Å; K404-D432 PolarHBondContact NZ-OD1 3.39Å; K404-L491 HydrophobicContact CG-CB 4.38Å; K404-L491 WeakPolarHBondContact CG-O 3.46Å; K404-L494 HydrophobicContact CB-CD1 4.3Å
405R96.5Very high96.3Very high68 Ų6829 Ų2926%0.25714%0.144SC..EExtended strand (participates in β ladder)trans-122.9112.9173.6-64.5169.6-172.879.915.3109.1Y398 L399 E400 D430 L431 D432Y398-R405 HydrophobicContact CE2-CB 4.06Å; Y398-R405 HydrophobicContact CE2-CG 4.46Å; Y398-R405 WeakPolarHBondContact OH-CD 3.45Å; Y398-R405 WeakPolarHBondContact OH-CG 3.5Å; L399-R405 CarbonylContact O-C 3.57Å; L399-R405 WeakPolarHBondContact O-CA 3.17Å; E400-R405 HydrophobicContact CB-CG 4.11Å; E400-R405 HydrophobicContact CG-CG 3.86Å; E400-R405 IonicContact OE1-CZ 2.87Å; E400-R405 VanDerWaalsContact OE1-CZ 3.31Å; E400-R405 IonicContact OE1-NE 2.78Å; E400-R405 PolarHBondContact OE1-NE 3.09Å; E400-R405 IonicContact OE1-NH2 3.31Å; E400-R405 PolarHBondContact OE1-NH2 3.41Å; R405-D430 WeakPolarHBondContact CB-O 3.29Å; R405-D430 WeakPolarHBondContact CD-O 3.14Å; R405-L431 HydrophobicContact CB-CD2 4.35Å; R405-D432 PolarHBondContact N-OD2 3.01Å; R405-D432 PolarHBondContact O-N 2.89Å
406I97.7Very high96.2Very high0 Ų031.1 Ų31.10%015%0.153CC..EExtended strand (participates in β ladder)trans-118.1137.9-170.6-56.5174.7000108.6L399 K404 L435 L491 L494 I496L399-I406 PolarHBondContact N-O 3.04Å; L399-I406 PolarHBondContact O-N 3.18Å; K404-I406 HydrophobicContact CB-CG1 4.4Å; I406-L435 HydrophobicContact CG2-CD1 3.71Å; I406-L435 HydrophobicContact CG2-CG 4.08Å; I406-L491 HydrophobicContact CD1-CB 4.19Å; I406-L491 HydrophobicContact CD1-CD1 3.82Å; I406-L491 HydrophobicContact CG1-CD1 4.5Å; I406-L494 HydrophobicContact CD1-CD1 4.04Å; I406-I496 HydrophobicContact CD1-CD1 3.64Å
407L98.2Very high96.2Very high0 Ų030.9 Ų30.90%015%0.152CC..EExtended strand (participates in β ladder)trans-101.5126.5167.5-163.374.2000108.7L388 S396 L397 D409 A410 I417 L431 A433 I434 L435 L450L388-L407 HydrophobicContact CD1-CD1 3.7Å; S396-L407 WeakPolarHBondContact OG-CD1 3.39Å; L397-L407 CarbonylContact O-C 3.56Å; L397-L407 WeakPolarHBondContact O-CA 3.2Å; L407-D409 WeakPolarHBondContact CG-O 3.28Å; L407-A410 HydrophobicContact CD2-CB 4.07Å; L407-I417 HydrophobicContact CD1-CG2 4.3Å; L407-I417 HydrophobicContact CD2-CG2 4.09Å; L407-L431 HydrophobicContact CB-CD1 4.42Å; L407-L431 HydrophobicContact CB-CD2 4.29Å; L407-A433 PolarHBondContact N-O 3.43Å; L407-I434 HydrophobicContact CB-CG1 4.41Å; L407-I434 CarbonylContact O-C 3.21Å; L407-I434 VanDerWaalsContact O-CA 3.25Å; L407-I434 WeakPolarHBondContact O-CA 3.4Å; L407-L435 PolarHBondContact O-N 3.05Å; L407-L450 HydrophobicContact CD2-CD1 3.72Å
408V98.4Very high96.1Very high0 Ų032.7 Ų32.70%016%0.163CC..EExtended strand (participates in β ladder)trans-103.3119170.1-165.90000107.8S396 L397 L435 T437 Y511 F513 M522S396-V408 WeakPolarHBondContact CA-O 3.34Å; L397-V408 HydrophobicContact CB-CB 4.13Å; L397-V408 HydrophobicContact CB-CG2 4.48Å; L397-V408 HydrophobicContact CD2-CB 4.39Å; L397-V408 HydrophobicContact CD2-CG2 4.01Å; L397-V408 PolarHBondContact N-O 3.3Å; L397-V408 PolarHBondContact O-N 3.1Å; V408-L435 HydrophobicContact CG1-CB 4.2Å; V408-L435 HydrophobicContact CG2-CB 4.49Å; V408-L435 HydrophobicContact CG2-CD1 4.28Å; V408-T437 HydrophobicContact CG1-CG2 4.13Å; V408-Y511 HydrophobicContact CG1-CD2 3.82Å; V408-Y511 HydrophobicContact CG1-CE2 3.99Å; V408-F513 HydrophobicContact CG2-CE1 4.08Å; V408-F513 HydrophobicContact CG2-CE2 4.26Å; V408-F513 HydrophobicContact CG2-CZ 3.45Å; V408-F513 VanDerWaalsContact CG2-CZ 3.45Å; V408-M522 HydrophobicContact CB-CE 4.37Å; V408-M522 HydrophobicContact CB-SD 3.95Å; V408-M522 HydrophobicContact CG1-CE 4.13Å; V408-M522 HydrophobicContact CG1-SD 3.67Å; V408-M522 HydrophobicContact CG2-SD 4.17Å
409D98.4Very high96Very high2 Ų235.4 Ų35.41%0.01118%0.182CC..  trans56.5155-169.7-62.1-32.6000114.4S396 L407 L435 V436 T437 H443S396-D409 PolarHBondContact OG-O 3.01Å; L407-D409 WeakPolarHBondContact CG-O 3.28Å; D409-L435 PolarHBondContact N-O 2.87Å; D409-V436 VanDerWaalsContact OD1-CA 3.31Å; D409-V436 WeakPolarHBondContact OD1-CA 3.48Å; D409-T437 VanDerWaalsContact CG-OG1 3.29Å; D409-T437 PolarHBondContact OD1-N 2.97Å; D409-T437 PolarHBondContact OD1-OG1 3.18Å; D409-T437 WeakPolarHBondContact OD2-CB 2.84Å; D409-T437 WeakPolarHBondContact OD2-CG2 3.3Å; D409-T437 PolarHBondContact OD2-OG1 3.29Å; D409-H443 HydrophobicContact CB-CB 4.17Å; D409-H443 IonicContact OD2-CE1 3.45Å; D409-H443 IonicContact OD2-CG 3.74Å; D409-H443 IonicContact OD2-ND1 3.71Å; D409-H443 PolarHBondContact OD2-ND1 3.21Å
410A97.9Very high96Very high0 Ų035.4 Ų35.40%018%0.182CC..  trans-137.464173.700000108.6L407 L412 I417 H443 I444 H445 G446 V447 L450L407-A410 HydrophobicContact CD2-CB 4.07Å; A410-L412 PolarHBondContact O-N 3.3Å; A410-I417 HydrophobicContact CB-CD1 3.48Å; A410-I417 VanDerWaalsContact CB-CD1 3.48Å; A410-H443 CarbonylContact C-O 3.47Å; A410-H443 PolarHBondContact N-O 2.89Å; A410-I444 CarbonylContact O-C 3.49Å; A410-H445 PolarHBondContact O-N 3.21Å; A410-H445 VanDerWaalsContact O-N 3.14Å; A410-G446 WeakPolarHBondContact O-CA 3.36Å; A410-G446 PolarHBondContact O-N 3.48Å; A410-V447 HydrophobicContact CB-CG2 3.79Å; A410-L450 HydrophobicContact CB-CD1 3.89Å
411G97.4Very high96.1Very high1 Ų134.5 Ų34.51%0.0118%0.178CC..  trans-66.1-19-178.300000116.1N395 D442 H443 H445N395-G411 WeakPolarHBondContact O-CA 3.33Å; N395-G411 PolarHBondContact O-N 2.78Å; G411-D442 WeakPolarHBondContact CA-O 3.44Å; G411-H443 PolarHBondContact N-O 2.83Å; G411-H445 WeakPolarHBondContact O-CB 3.38Å
412L97.1Very high96.2Very high17 Ų1737.2 Ų37.29%0.08920%0.2CC..SBendtrans-99.5167.6179.8-66.3170.2000111.3A389 A410 K416 I417 L420 G446A389-L412 HydrophobicContact CB-CD1 3.31Å; A389-L412 HydrophobicContact CB-CG 4.32Å; A410-L412 PolarHBondContact O-N 3.3Å; L412-K416 HydrophobicContact CB-CB 4.28Å; L412-K416 HydrophobicContact CB-CG 4.32Å; L412-K416 HydrophobicContact CD1-CG 3.9Å; L412-I417 HydrophobicContact CB-CD1 4.23Å; L412-I417 HydrophobicContact CB-CG1 3.83Å; L412-L420 HydrophobicContact CD1-CD1 3.62Å; L412-G446 VanDerWaalsContact O-CA 3.23Å; L412-G446 WeakPolarHBondContact O-CA 3.47Å; L412-G446 PolarHBondContact O-N 2.9Å; L412-G446 VanDerWaalsContact O-N 3.16Å
413S96.7Very high96.3Very high49 Ų4938.9 Ų38.934%0.34320%0.202SC..  trans-60.7144.3172.875.70000110K415 K416 I417 H445S413-K415 PolarHBondContact O-N 3.09Å; S413-K416 PolarHBondContact O-N 3.39Å; S413-K416 PolarHBondContact OG-N 3.36Å; S413-I417 PolarHBondContact O-N 2.99Å; S413-H445 PolarHBondContact N-CD2 3.23Å
414G95.5Very high96.1Very high8 Ų834.2 Ų34.28%0.08218%0.181CC..Hα-helixtrans-54.5-29.9178.600000113.3T418G414-T418 PolarHBondContact O-N 2.88Å; G414-T418 PolarHBondContact O-OG1 3.19Å
415K96.5Very high95.9Very high182 Ų18238.3 Ų38.379%0.79121%0.206SC*.Hα-helixtrans-66.1-43.4173.9-174.6-177.2177-172.90112.6S413 S419S413-K415 PolarHBondContact O-N 3.09Å; K415-S419 PolarHBondContact O-N 3.21Å
416K96.8Very high95.8Very high53 Ų5337.7 Ų37.723%0.2320%0.204CC..Hα-helixtrans-68.9-41.3179.5-179.762.4176.3166.20110.6L412 S413 T418 S419 L420 D636L412-K416 HydrophobicContact CB-CB 4.28Å; L412-K416 HydrophobicContact CB-CG 4.32Å; L412-K416 HydrophobicContact CD1-CG 3.9Å; S413-K416 PolarHBondContact O-N 3.39Å; S413-K416 PolarHBondContact OG-N 3.36Å; K416-T418 PolarHBondContact O-N 3.2Å; K416-S419 WeakPolarHBondContact O-CA 3.43Å; K416-S419 VanDerWaalsContact O-CB 3.29Å; K416-S419 WeakPolarHBondContact O-CB 3.29Å; K416-S419 PolarHBondContact O-N 3.23Å; K416-L420 HydrophobicContact CD-CD1 4.34Å; K416-L420 HydrophobicContact CD-CG 4.33Å; K416-L420 HydrophobicContact CG-CD1 4.02Å; K416-L420 HydrophobicContact CG-CG 4.48Å; K416-L420 WeakPolarHBondContact O-CG 3.47Å; K416-L420 PolarHBondContact O-N 2.97Å; K416-D636 WeakPolarHBondContact CE-O 3.48Å; K416-D636 PolarHBondContact NZ-O 3Å
417I97.2Very high95.6Very high0 Ų043.9 Ų43.90%023%0.231CC..Hα-helixtrans-60.4-45.5175-63.7172.6000111L388 L407 A410 L412 S413 S419 L420 L421 L450L388-I417 HydrophobicContact CD1-CG2 4.27Å; L407-I417 HydrophobicContact CD1-CG2 4.3Å; L407-I417 HydrophobicContact CD2-CG2 4.09Å; A410-I417 HydrophobicContact CB-CD1 3.48Å; A410-I417 VanDerWaalsContact CB-CD1 3.48Å; L412-I417 HydrophobicContact CB-CD1 4.23Å; L412-I417 HydrophobicContact CB-CG1 3.83Å; S413-I417 PolarHBondContact O-N 2.99Å; I417-S419 VanDerWaalsContact C-N 3.26Å; I417-S419 PolarHBondContact O-N 2.85Å; I417-L420 PolarHBondContact O-N 2.89Å; I417-L421 HydrophobicContact CG2-CD1 4.18Å; I417-L421 WeakPolarHBondContact O-CG 3.22Å; I417-L421 PolarHBondContact O-N 3.13Å; I417-L450 HydrophobicContact CB-CD1 4.35Å; I417-L450 HydrophobicContact CD1-CD1 3.75Å; I417-L450 HydrophobicContact CG2-CD1 4.08Å
418T96.7Very high95.5Very high38 Ų3844.2 Ų44.223%0.23323%0.232CC..Hα-helixtrans-60.2-35.6174.1-59.20000112.7G414 K416 A422 P428G414-T418 PolarHBondContact O-N 2.88Å; G414-T418 PolarHBondContact O-OG1 3.19Å; K416-T418 PolarHBondContact O-N 3.2Å; T418-A422 WeakPolarHBondContact O-CB 3.25Å; T418-A422 PolarHBondContact O-N 2.82Å; T418-P428 HydrophobicContact CG2-CG 3.76Å
419S96.5Very high95.5Very high58 Ų5849.7 Ų49.741%0.40626%0.258SS..Hα-helixtrans-66.4-46.7175.6-167.60000111.7K415 K416 I417 A422 E423K415-S419 PolarHBondContact O-N 3.21Å; K416-S419 WeakPolarHBondContact O-CA 3.43Å; K416-S419 VanDerWaalsContact O-CB 3.29Å; K416-S419 WeakPolarHBondContact O-CB 3.29Å; K416-S419 PolarHBondContact O-N 3.23Å; I417-S419 VanDerWaalsContact C-N 3.26Å; I417-S419 PolarHBondContact O-N 2.85Å; S419-A422 WeakPolarHBondContact O-CB 3.45Å; S419-A422 PolarHBondContact O-N 3.38Å; S419-A422 VanDerWaalsContact O-N 3.11Å; S419-E423 PolarHBondContact O-N 3.37Å
420L96Very high95.4Very high0 Ų053.2 Ų53.20%028%0.277CS..Hα-helixtrans-64.6-40.9-179.8-69.3164000111.6L388 A389 L412 K416 I417 A422 E423 A638L388-L420 HydrophobicContact CB-CB 4.17Å; L388-L420 HydrophobicContact CB-CD1 4.24Å; L388-L420 HydrophobicContact CD2-CB 3.93Å; L388-L420 WeakPolarHBondContact O-CD1 3.29Å; A389-L420 HydrophobicContact CB-CD1 4.18Å; L412-L420 HydrophobicContact CD1-CD1 3.62Å; K416-L420 HydrophobicContact CD-CD1 4.34Å; K416-L420 HydrophobicContact CD-CG 4.33Å; K416-L420 HydrophobicContact CG-CD1 4.02Å; K416-L420 HydrophobicContact CG-CG 4.48Å; K416-L420 WeakPolarHBondContact O-CG 3.47Å; K416-L420 PolarHBondContact O-N 2.97Å; I417-L420 PolarHBondContact O-N 2.89Å; L420-A422 VanDerWaalsContact C-N 3.25Å; L420-A422 PolarHBondContact O-N 2.97Å; L420-E423 WeakPolarHBondContact O-CB 3.1Å; L420-E423 PolarHBondContact O-N 2.95Å; L420-E423 VanDerWaalsContact O-N 3.15Å; L420-A638 HydrophobicContact CD2-CB 4.39Å
421L95.6Very high95.4Very high0 Ų053.9 Ų53.90%028%0.28CS..Hα-helixtrans-58.5-40.6171.9-74.5168.9000111.5L388 Y398 I417 E423 V424 D425 R426 P428 L431L388-L421 HydrophobicContact CD1-CD2 3.93Å; L388-L421 HydrophobicContact CD1-CG 4.07Å; L388-L421 HydrophobicContact CD2-CD2 4.06Å; L388-L421 HydrophobicContact CD2-CG 4.34Å; Y398-L421 HydrophobicContact CD2-CD2 3.54Å; Y398-L421 HydrophobicContact CE2-CD2 4.02Å; Y398-L421 HydrophobicContact CG-CD2 3.97Å; I417-L421 HydrophobicContact CG2-CD1 4.18Å; I417-L421 WeakPolarHBondContact O-CG 3.22Å; I417-L421 PolarHBondContact O-N 3.13Å; L421-E423 VanDerWaalsContact C-N 3.31Å; L421-E423 PolarHBondContact O-N 3.27Å; L421-V424 CarbonylContact O-C 3.59Å; L421-V424 VanDerWaalsContact O-CG2 3.27Å; L421-V424 WeakPolarHBondContact O-CG2 3.38Å; L421-V424 PolarHBondContact O-N 2.91Å; L421-D425 PolarHBondContact O-N 3.42Å; L421-R426 CarbonylContact C-O 3.56Å; L421-R426 HydrophobicContact CB-CB 4.29Å; L421-R426 HydrophobicContact CD2-CB 4.04Å; L421-R426 CarbonylContact O-C 3.56Å; L421-R426 WeakPolarHBondContact O-CA 3.2Å; L421-R426 PolarHBondContact O-N 3.35Å; L421-R426 VanDerWaalsContact O-O 3.09Å; L421-P428 HydrophobicContact CD1-CB 4.03Å; L421-L431 HydrophobicContact CD1-CD1 4.21Å
422A93.6Very high95.4Very high59 Ų5956.1 Ų56.149%0.48829%0.292SS..Hα-helixtrans-69.5-27178.900000113.1T418 S419 L420 V424 D425 R426T418-A422 WeakPolarHBondContact O-CB 3.25Å; T418-A422 PolarHBondContact O-N 2.82Å; S419-A422 WeakPolarHBondContact O-CB 3.45Å; S419-A422 PolarHBondContact O-N 3.38Å; S419-A422 VanDerWaalsContact O-N 3.11Å; L420-A422 VanDerWaalsContact C-N 3.25Å; L420-A422 PolarHBondContact O-N 2.97Å; A422-V424 PolarHBondContact O-N 2.81Å; A422-D425 PolarHBondContact O-N 3.36Å; A422-R426 PolarHBondContact N-O 3.06Å
423E90.6Very high95.5Very high106 Ų10655.4 Ų55.450%0.49529%0.289SS..Hα-helixtrans-64.1-25174-71167-150.800112.2S419 L420 L421S419-E423 PolarHBondContact O-N 3.37Å; L420-E423 WeakPolarHBondContact O-CB 3.1Å; L420-E423 PolarHBondContact O-N 2.95Å; L420-E423 VanDerWaalsContact O-N 3.15Å; L421-E423 VanDerWaalsContact C-N 3.31Å; L421-E423 PolarHBondContact O-N 3.27Å
424V88.4Confident95.5Very high19 Ų1953 Ų5312%0.11527%0.272CS..THydrogen-bonded Turntrans-110.224.7176.9-61.50000113L421 A422 R426 A638 L641L421-V424 CarbonylContact O-C 3.59Å; L421-V424 VanDerWaalsContact O-CG2 3.27Å; L421-V424 WeakPolarHBondContact O-CG2 3.38Å; L421-V424 PolarHBondContact O-N 2.91Å; A422-V424 PolarHBondContact O-N 2.81Å; V424-R426 HydrophobicContact CG2-CB 4.35Å; V424-R426 HydrophobicContact CG2-CG 4.2Å; V424-R426 PolarHBondContact O-N 2.86Å; V424-R426 PolarHBondContact O-NH1 3.18Å; V424-A638 HydrophobicContact CG1-CB 4.09Å; V424-L641 HydrophobicContact CB-CD1 4.29Å; V424-L641 HydrophobicContact CB-CD2 4.34Å; V424-L641 HydrophobicContact CB-CG 4.17Å; V424-L641 HydrophobicContact CG2-CD2 4.46Å
425D91.9Very high95.7Very high145 Ų14552.7 Ų52.778%0.77527%0.268SS*.THydrogen-bonded Turntrans54.536.3179.1-72-41.6000114.2L421 A422L421-D425 PolarHBondContact O-N 3.42Å; A422-D425 PolarHBondContact O-N 3.36Å
426R93.9Very high95.8Very high55 Ų5544 Ų4421%0.20823%0.231CC..  trans-114.4155.9172.8-65.1-58-176.4-84.3-0.8111.9Y398 E400 L421 A422 V424Y398-R426 HydrophobicContact CE1-CG 4Å; Y398-R426 WeakPolarHBondContact OH-CD 3.19Å; E400-R426 IonicContact OE1-NE 2.66Å; E400-R426 IonicContact OE2-CZ 3.05Å; E400-R426 IonicContact OE2-NE 3.26Å; E400-R426 PolarHBondContact OE2-NE 3.5Å; E400-R426 IonicContact OE2-NH2 2.68Å; E400-R426 PolarHBondContact OE2-NH2 3.05Å; L421-R426 CarbonylContact C-O 3.56Å; L421-R426 HydrophobicContact CB-CB 4.29Å; L421-R426 HydrophobicContact CD2-CB 4.04Å; L421-R426 CarbonylContact O-C 3.56Å; L421-R426 WeakPolarHBondContact O-CA 3.2Å; L421-R426 PolarHBondContact O-N 3.35Å; L421-R426 VanDerWaalsContact O-O 3.09Å; A422-R426 PolarHBondContact N-O 3.06Å; V424-R426 HydrophobicContact CG2-CB 4.35Å; V424-R426 HydrophobicContact CG2-CG 4.2Å; V424-R426 PolarHBondContact O-N 2.86Å; V424-R426 PolarHBondContact O-NH1 3.18Å
427K95Very high95.9Very high130 Ų13041.5 Ų41.557%0.56522%0.22SC*.  trans-122.7137-175.5-63177.7-172.1165.20110.2E429 D430K427-E429 WeakPolarHBondContact CB-OE2 3.28Å; K427-E429 PolarHBondContact O-N 3.1Å; K427-D430 PolarHBondContact O-N 2.98Å; K427-D430 VanDerWaalsContact O-N 3.13Å
428P96.3Very high95.9Very high6 Ų641.5 Ų41.54%0.03922%0.22CC..G310 helixtrans-66.5-20.4177.330.2-38.3000113T418 L421 D430 L431 Y454T418-P428 HydrophobicContact CG2-CG 3.76Å; L421-P428 HydrophobicContact CD1-CB 4.03Å; P428-D430 PolarHBondContact O-N 2.82Å; P428-L431 HydrophobicContact CB-CD1 4.33Å; P428-L431 WeakPolarHBondContact O-CB 3.44Å; P428-L431 PolarHBondContact O-N 3.14Å; P428-Y454 HydrophobicContact CB-CD2 4.11Å; P428-Y454 HydrophobicContact CB-CE1 4.07Å; P428-Y454 HydrophobicContact CB-CE2 3.61Å; P428-Y454 HydrophobicContact CG-CE1 3.89Å; P428-Y454 HydrophobicContact CG-CE2 3.95Å; P428-Y454 VanDerWaalsContact CG-CZ 3.41Å; P428-Y454 WeakPolarHBondContact CG-OH 3.21Å
429E96.8Very high96Very high116 Ų11641 Ų4154%0.54222%0.215SC..G310 helixtrans-66.7-21.1174.2-64.275.4-161.700113.2K427 Y454K427-E429 WeakPolarHBondContact CB-OE2 3.28Å; K427-E429 PolarHBondContact O-N 3.1Å; E429-Y454 HydrophobicContact CG-CD1 4.18Å; E429-Y454 HydrophobicContact CG-CE1 3.88Å; E429-Y454 VanDerWaalsContact OE1-CE1 3.25Å; E429-Y454 WeakPolarHBondContact OE1-CE1 3.49Å
430D96.3Very high96Very high76 Ų7640.3 Ų40.341%0.40621%0.205SC..G310 helixtrans-91.1-4.7-179.4-59.8-35.2000112.3R405 K427 P428R405-D430 WeakPolarHBondContact CB-O 3.29Å; R405-D430 WeakPolarHBondContact CD-O 3.14Å; K427-D430 PolarHBondContact O-N 2.98Å; K427-D430 VanDerWaalsContact O-N 3.13Å; P428-D430 PolarHBondContact O-N 2.82Å
431L97.9Very high96.1Very high13 Ų1348.3 Ų48.37%0.06824%0.235CC..  trans-66.3140.5176.5-69172.1000111Y398 R405 L407 L421 P428 L456Y398-L431 HydrophobicContact CD2-CD2 3.91Å; Y398-L431 HydrophobicContact CE2-CD2 3.82Å; R405-L431 HydrophobicContact CB-CD2 4.35Å; L407-L431 HydrophobicContact CB-CD1 4.42Å; L407-L431 HydrophobicContact CB-CD2 4.29Å; L421-L431 HydrophobicContact CD1-CD1 4.21Å; P428-L431 HydrophobicContact CB-CD1 4.33Å; P428-L431 WeakPolarHBondContact O-CB 3.44Å; P428-L431 PolarHBondContact O-N 3.14Å; L431-L456 HydrophobicContact CB-CD1 4.01Å; L431-L456 HydrophobicContact CB-CD2 3.71Å; L431-L456 HydrophobicContact CD1-CD1 4.11Å; L431-L456 WeakPolarHBondContact O-CD2 3.28Å
432D98.2Very high96.1Very high48 Ų4849.9 Ų49.926%0.25724%0.244SC..  trans-102.7-29179.3-72.8-88.6000113.4K404 R405 P457K404-D432 WeakPolarHBondContact CA-OD2 3.23Å; K404-D432 HydrophobicContact CD-CB 3.67Å; K404-D432 VanDerWaalsContact CD-CG 3.41Å; K404-D432 WeakPolarHBondContact CD-OD1 3.21Å; K404-D432 IonicContact NZ-OD1 2.86Å; K404-D432 PolarHBondContact NZ-OD1 3.39Å; R405-D432 PolarHBondContact N-OD2 3.01Å; R405-D432 PolarHBondContact O-N 2.89Å; D432-P457 WeakPolarHBondContact O-CD 3.38Å; D432-P457 WeakPolarHBondContact O-CG 3.45Å
433A98.4Very high96.3Very high2 Ų247.1 Ų47.12%0.01722%0.221CC..EExtended strand (participates in β ladder)trans-161.2159.4-174.600000112.8L407 P457 Y459 L491L407-A433 PolarHBondContact N-O 3.43Å; A433-P457 WeakPolarHBondContact CA-O 3.4Å; A433-P457 HydrophobicContact CB-CG 4.14Å; A433-Y459 HydrophobicContact CB-CD2 4.16Å; A433-Y459 HydrophobicContact CB-CE2 3.9Å; A433-L491 HydrophobicContact CB-CD1 4.05Å
434I98.6Very high96.7Very high0 Ų042.2 Ų42.20%020%0.198CC..EExtended strand (participates in β ladder)trans-117.4126.8165.9-53.8177.8000109L407 V436 V447 L450 L456 P457 V458 Y459L407-I434 HydrophobicContact CB-CG1 4.41Å; L407-I434 CarbonylContact O-C 3.21Å; L407-I434 VanDerWaalsContact O-CA 3.25Å; L407-I434 WeakPolarHBondContact O-CA 3.4Å; I434-V436 HydrophobicContact CG2-CG2 4.12Å; I434-V447 HydrophobicContact CG2-CG2 4.42Å; I434-L450 HydrophobicContact CD1-CB 3.92Å; I434-L456 HydrophobicContact CD1-CB 4.39Å; I434-L456 HydrophobicContact CD1-CD1 3.89Å; I434-L456 HydrophobicContact CG1-CB 4.23Å; I434-L456 HydrophobicContact CG1-CD1 3.88Å; I434-P457 PolarHBondContact N-O 2.93Å; I434-V458 HydrophobicContact CB-CG2 4.32Å; I434-V458 HydrophobicContact CD1-CG2 4.46Å; I434-V458 CarbonylContact O-C 3.11Å; I434-V458 VanDerWaalsContact O-CA 3.32Å; I434-V458 WeakPolarHBondContact O-CA 3.22Å; I434-Y459 PolarHBondContact O-N 2.88Å
435L98.7Very high97.1Very high0 Ų045.2 Ų45.20%021%0.21CC..EExtended strand (participates in β ladder)trans-97.7139165.9-69.7161.2000108.8I406 L407 V408 D409 Y459 F483 L489 I496 Y511 F513I406-L435 HydrophobicContact CG2-CD1 3.71Å; I406-L435 HydrophobicContact CG2-CG 4.08Å; L407-L435 PolarHBondContact O-N 3.05Å; V408-L435 HydrophobicContact CG1-CB 4.2Å; V408-L435 HydrophobicContact CG2-CB 4.49Å; V408-L435 HydrophobicContact CG2-CD1 4.28Å; D409-L435 PolarHBondContact N-O 2.87Å; L435-Y459 HydrophobicContact CD2-CG 4.19Å; L435-F483 HydrophobicContact CD2-CD1 3.78Å; L435-F483 HydrophobicContact CD2-CE1 4.13Å; L435-L489 HydrophobicContact CD2-CD2 4.49Å; L435-I496 HydrophobicContact CD1-CD1 3.78Å; L435-I496 HydrophobicContact CD1-CG2 4.09Å; L435-Y511 HydrophobicContact CB-CD2 4.47Å; L435-Y511 HydrophobicContact CB-CE2 3.84Å; L435-Y511 HydrophobicContact CD2-CE1 4.43Å; L435-F513 HydrophobicContact CD1-CE1 3.72Å; L435-F513 HydrophobicContact CD1-CZ 4.13Å
436V98.7Very high97.4Very high0 Ų038.3 Ų38.30%017%0.173CC..  trans-121.7123.9178.2-179.20000110D409 I434 H438 I444 V447 V458 Y459 A460 T464 M468 Y511D409-V436 VanDerWaalsContact OD1-CA 3.31Å; D409-V436 WeakPolarHBondContact OD1-CA 3.48Å; I434-V436 HydrophobicContact CG2-CG2 4.12Å; V436-H438 WeakPolarHBondContact CG1-O 3.41Å; V436-I444 HydrophobicContact CG1-CG2 3.74Å; V436-V447 HydrophobicContact CG2-CG1 4.19Å; V436-V447 HydrophobicContact CG2-CG2 3.89Å; V436-V458 HydrophobicContact CG2-CG1 3.87Å; V436-Y459 PolarHBondContact N-O 2.92Å; V436-A460 HydrophobicContact CB-CB 4.19Å; V436-T464 HydrophobicContact CG1-CG2 4.17Å; V436-M468 HydrophobicContact CB-CE 4.45Å; V436-M468 HydrophobicContact CB-SD 4.49Å; V436-M468 HydrophobicContact CG1-CE 4.36Å; V436-M468 HydrophobicContact CG1-SD 4Å; V436-M468 HydrophobicContact CG2-CE 4.36Å; V436-M468 HydrophobicContact CG2-SD 4.16Å; V436-Y511 PolarHBondContact O-OH 2.67Å
437T98.4Very high97.6Very high0 Ų035.7 Ų35.70%016%0.164CC..  trans-76-46.1-177.658.10000112.1V408 D409 H443 Q509 F510 Y511V408-T437 HydrophobicContact CG1-CG2 4.13Å; D409-T437 VanDerWaalsContact CG-OG1 3.29Å; D409-T437 PolarHBondContact OD1-N 2.97Å; D409-T437 PolarHBondContact OD1-OG1 3.18Å; D409-T437 WeakPolarHBondContact OD2-CB 2.84Å; D409-T437 WeakPolarHBondContact OD2-CG2 3.3Å; D409-T437 PolarHBondContact OD2-OG1 3.29Å; T437-H443 PolarHBondContact OG1-ND1 2.92Å; T437-Q509 CarbonylContact C-O 3.55Å; T437-Q509 WeakPolarHBondContact CA-O 3.46Å; T437-Q509 WeakPolarHBondContact CB-O 3.5Å; T437-Q509 WeakPolarHBondContact CG2-O 3.36Å; T437-Q509 PolarHBondContact O-N 3.44Å; T437-F510 HydrophobicContact CG2-CD1 3.82Å; T437-F510 HydrophobicContact CG2-CD2 4.41Å; T437-F510 HydrophobicContact CG2-CE1 3.71Å; T437-F510 HydrophobicContact CG2-CE2 4.29Å; T437-F510 HydrophobicContact CG2-CG 4.18Å; T437-F510 HydrophobicContact CG2-CZ 3.94Å; T437-Y511 HydrophobicContact CG2-CD2 4.14Å; T437-Y511 HydrophobicContact CG2-CE2 3.77Å
438H98.2Very high97.7Very high0 Ų029.5 Ų29.50%014%0.137CC..  trans-164175179.166.5-72.6000112.4V436 H440 H443 I444 H503 A505 P508 D525V436-H438 WeakPolarHBondContact CG1-O 3.41Å; H438-H440 AromaticContact CD2-CG 3.48Å; H438-H440 VanDerWaalsContact CD2-CG 3.48Å; H438-H440 AromaticContact CD2-ND1 3.3Å; H438-H440 PolarHBondContact CD2-ND1 3.09Å; H438-H440 VanDerWaalsContact CD2-ND1 3.3Å; H438-H440 WeakPolarHBondContact NE2-CB 3.49Å; H438-H440 AromaticContact NE2-CG 3.56Å; H438-H440 AromaticContact NE2-ND1 3.17Å; H438-H440 PolarHBondContact NE2-ND1 3.12Å; H438-H440 VanDerWaalsContact NE2-ND1 3.17Å; H438-H440 PolarHBondContact O-N 2.76Å; H438-H443 AromaticContact CE1-CD2 3.29Å; H438-H443 PolarHBondContact CE1-CD2 3Å; H438-H443 AromaticContact CE1-CE1 3.46Å; H438-H443 PolarHBondContact CE1-CE1 3.25Å; H438-H443 VanDerWaalsContact CE1-CE1 3.46Å; H438-H443 AromaticContact CE1-CG 3.48Å; H438-H443 VanDerWaalsContact CE1-CG 3.48Å; H438-H443 AromaticContact CE1-ND1 3.57Å; H438-H443 AromaticContact CE1-NE2 3.35Å; H438-H443 PolarHBondContact CE1-NE2 3.4Å; H438-H443 AromaticContact ND1-CG 3.9Å; H438-H443 AromaticContact ND1-ND1 3.92Å; H438-H443 AromaticContact NE2-CD2 3.57Å; H438-H443 AromaticContact NE2-NE2 3.88Å; H438-I444 VanDerWaalsContact O-CG2 3.23Å; H438-I444 WeakPolarHBondContact O-CG2 3.44Å; H438-H503 AromaticContact NE2-CD2 3.93Å; H438-H503 AromaticContact NE2-NE2 3.9Å; H438-A505 HydrophobicContact CB-CB 3.83Å; H438-P508 HydrophobicContact CB-CB 3.94Å; H438-D525 IonicContact CE1-OD2 3.16Å; H438-D525 PolarHBondContact CE1-OD2 3.32Å
439E98Very high97.7Very high29 Ų2932.7 Ų32.714%0.13616%0.156CC..  trans-87.64.4-167.679.4-79-171.400116.3I444 A467 M468 A506E439-I444 WeakPolarHBondContact O-CD1 3.29Å; E439-A467 HydrophobicContact CB-CB 3.96Å; E439-A467 HydrophobicContact CG-CB 3.64Å; E439-M468 HydrophobicContact CB-CB 4.15Å; E439-A506 WeakPolarHBondContact OE1-CB 3.42Å; E439-A506 PolarHBondContact OE1-N 3.04Å; E439-A506 WeakPolarHBondContact OE2-CB 3.16Å; E439-A506 PolarHBondContact OE2-N 2.8Å
440H97.2Very high97.8Very high43 Ų4327.3 Ų27.320%0.19913%0.131CC..  trans-67.1149.1179.9-70.5157.9000112H438 D442 H443 I444 H503 D504H438-H440 AromaticContact CD2-CG 3.48Å; H438-H440 VanDerWaalsContact CD2-CG 3.48Å; H438-H440 AromaticContact CD2-ND1 3.3Å; H438-H440 PolarHBondContact CD2-ND1 3.09Å; H438-H440 VanDerWaalsContact CD2-ND1 3.3Å; H438-H440 WeakPolarHBondContact NE2-CB 3.49Å; H438-H440 AromaticContact NE2-CG 3.56Å; H438-H440 AromaticContact NE2-ND1 3.17Å; H438-H440 PolarHBondContact NE2-ND1 3.12Å; H438-H440 VanDerWaalsContact NE2-ND1 3.17Å; H438-H440 PolarHBondContact O-N 2.76Å; H440-D442 VanDerWaalsContact C-N 3.3Å; H440-D442 VanDerWaalsContact CB-OD1 3.29Å; H440-D442 WeakPolarHBondContact CB-OD1 3.22Å; H440-D442 PolarHBondContact O-N 3.05Å; H440-H443 WeakPolarHBondContact O-CA 3.18Å; H440-H443 WeakPolarHBondContact O-CB 3.21Å; H440-H443 PolarHBondContact O-N 2.73Å; H440-I444 WeakPolarHBondContact O-CG1 3.22Å; H440-I444 PolarHBondContact O-N 3.02Å; H440-H503 AromaticContact CE1-CD2 3.68Å; H440-H503 AromaticContact CE1-NE2 3.1Å; H440-H503 PolarHBondContact CE1-NE2 2.83Å; H440-H503 AromaticContact ND1-CD2 3.77Å; H440-H503 AromaticContact ND1-NE2 3.1Å; H440-H503 PolarHBondContact ND1-NE2 3.4Å; H440-D504 IonicContact CE1-OD1 3.72Å
441R97Very high97.9Very high168 Ų16823.7 Ų23.763%0.63411%0.112SC*.Hα-helixtrans-61.6-40-167.2-177176.4179.2-81.8-2.9112.1H443 I444 H445R441-H443 PolarHBondContact O-N 3.12Å; R441-H443 VanDerWaalsContact O-N 3.16Å; R441-I444 PolarHBondContact O-N 3.02Å; R441-H445 PolarHBondContact NH2-CE1 2.77Å; R441-H445 VanDerWaalsContact O-CB 3.29Å; R441-H445 WeakPolarHBondContact O-CB 3.49Å; R441-H445 PolarHBondContact O-N 3.05Å
442D96Very high97.9Very high33 Ų3327.4 Ų27.418%0.17613%0.125CC..Hα-helixtrans-66.94.4172.254-30.1000114.3G394 N395 G411 H440 H598G394-D442 CarbonylContact C-O 3.43Å; G394-D442 WeakPolarHBondContact CA-O 3.34Å; N395-D442 PolarHBondContact N-O 2.84Å; G411-D442 WeakPolarHBondContact CA-O 3.44Å; H440-D442 VanDerWaalsContact C-N 3.3Å; H440-D442 VanDerWaalsContact CB-OD1 3.29Å; H440-D442 WeakPolarHBondContact CB-OD1 3.22Å; H440-D442 PolarHBondContact O-N 3.05Å; D442-H598 IonicContact OD2-NE2 3.72Å
443H98Very high97.8Very high0 Ų031.6 Ų31.60%014%0.141CC..Hα-helixtrans-121.5-28.5168.6-65.9-99.9000112.5N395 D409 A410 G411 T437 H438 H440 R441 D525 H598N395-H443 PolarHBondContact ND2-CE1 2.75Å; N395-H443 PolarHBondContact ND2-NE2 3.1Å; D409-H443 HydrophobicContact CB-CB 4.17Å; D409-H443 IonicContact OD2-CE1 3.45Å; D409-H443 IonicContact OD2-CG 3.74Å; D409-H443 IonicContact OD2-ND1 3.71Å; D409-H443 PolarHBondContact OD2-ND1 3.21Å; A410-H443 CarbonylContact C-O 3.47Å; A410-H443 PolarHBondContact N-O 2.89Å; G411-H443 PolarHBondContact N-O 2.83Å; T437-H443 PolarHBondContact OG1-ND1 2.92Å; H438-H443 AromaticContact CE1-CD2 3.29Å; H438-H443 PolarHBondContact CE1-CD2 3Å; H438-H443 AromaticContact CE1-CE1 3.46Å; H438-H443 PolarHBondContact CE1-CE1 3.25Å; H438-H443 VanDerWaalsContact CE1-CE1 3.46Å; H438-H443 AromaticContact CE1-CG 3.48Å; H438-H443 VanDerWaalsContact CE1-CG 3.48Å; H438-H443 AromaticContact CE1-ND1 3.57Å; H438-H443 AromaticContact CE1-NE2 3.35Å; H438-H443 PolarHBondContact CE1-NE2 3.4Å; H438-H443 AromaticContact ND1-CG 3.9Å; H438-H443 AromaticContact ND1-ND1 3.92Å; H438-H443 AromaticContact NE2-CD2 3.57Å; H438-H443 AromaticContact NE2-NE2 3.88Å; H440-H443 WeakPolarHBondContact O-CA 3.18Å; H440-H443 WeakPolarHBondContact O-CB 3.21Å; H440-H443 PolarHBondContact O-N 2.73Å; R441-H443 PolarHBondContact O-N 3.12Å; R441-H443 VanDerWaalsContact O-N 3.16Å; H443-D525 IonicContact CE1-OD2 3.84Å; H443-D525 PolarHBondContact CE1-OD2 2.87Å; H443-D525 IonicContact NE2-OD2 2.91Å; H443-D525 PolarHBondContact NE2-OD2 3.3Å; H443-D525 VanDerWaalsContact NE2-OD2 3.16Å; H443-H598 AromaticContact NE2-NE2 3.7Å
444I98.2Very high97.8Very high4 Ų433.2 Ų33.22%0.02115%0.147CC..Hα-helixtrans-110.4-5.2-172.370.7170.2000116.3A410 V436 H438 E439 H440 R441 G446 V447 M468 L471 I472A410-I444 CarbonylContact O-C 3.49Å; V436-I444 HydrophobicContact CG1-CG2 3.74Å; H438-I444 VanDerWaalsContact O-CG2 3.23Å; H438-I444 WeakPolarHBondContact O-CG2 3.44Å; E439-I444 WeakPolarHBondContact O-CD1 3.29Å; H440-I444 WeakPolarHBondContact O-CG1 3.22Å; H440-I444 PolarHBondContact O-N 3.02Å; R441-I444 PolarHBondContact O-N 3.02Å; I444-G446 VanDerWaalsContact C-N 3.28Å; I444-G446 PolarHBondContact O-N 3.15Å; I444-G446 VanDerWaalsContact O-N 3.11Å; I444-V447 HydrophobicContact CB-CG2 4.2Å; I444-V447 PolarHBondContact O-N 2.86Å; I444-V447 VanDerWaalsContact O-N 3.09Å; I444-M468 HydrophobicContact CB-CG 4.4Å; I444-M468 HydrophobicContact CB-SD 4.28Å; I444-M468 HydrophobicContact CD1-CB 4.32Å; I444-M468 HydrophobicContact CD1-CG 3.97Å; I444-M468 HydrophobicContact CG2-CG 4.21Å; I444-M468 HydrophobicContact CG2-SD 3.83Å; I444-L471 HydrophobicContact CD1-CB 3.66Å; I444-L471 HydrophobicContact CD1-CD1 3.71Å; I444-L471 HydrophobicContact CD1-CG 4.32Å; I444-I472 HydrophobicContact CB-CG2 3.96Å; I444-I472 HydrophobicContact CD1-CG2 3.88Å; I444-I472 HydrophobicContact CG1-CG2 4.15Å
445H97.6Very high97.7Very high81 Ų8139.6 Ų39.638%0.37517%0.174SC..THydrogen-bonded Turntrans-51.1-42.4-168.6-172.838.7000114.7A410 G411 S413 R441A410-H445 PolarHBondContact O-N 3.21Å; A410-H445 VanDerWaalsContact O-N 3.14Å; G411-H445 WeakPolarHBondContact O-CB 3.38Å; S413-H445 PolarHBondContact N-CD2 3.23Å; R441-H445 PolarHBondContact NH2-CE1 2.77Å; R441-H445 VanDerWaalsContact O-CB 3.29Å; R441-H445 WeakPolarHBondContact O-CB 3.49Å; R441-H445 PolarHBondContact O-N 3.05Å
446G97.5Very high97.7Very high0 Ų039.8 Ų39.80%018%0.176CC..THydrogen-bonded Turntrans-94.4-14.1-178.200000115A410 L412 I444 G448 V449 L450A410-G446 WeakPolarHBondContact O-CA 3.36Å; A410-G446 PolarHBondContact O-N 3.48Å; L412-G446 VanDerWaalsContact O-CA 3.23Å; L412-G446 WeakPolarHBondContact O-CA 3.47Å; L412-G446 PolarHBondContact O-N 2.9Å; L412-G446 VanDerWaalsContact O-N 3.16Å; I444-G446 VanDerWaalsContact C-N 3.28Å; I444-G446 PolarHBondContact O-N 3.15Å; I444-G446 VanDerWaalsContact O-N 3.11Å; G446-G448 PolarHBondContact O-N 3.47Å; G446-V449 PolarHBondContact O-N 2.84Å; G446-V449 VanDerWaalsContact O-N 3.13Å; G446-L450 WeakPolarHBondContact O-CG 3.47Å; G446-L450 PolarHBondContact O-N 3.13Å
447V98.3Very high97.7Very high0 Ų041.3 Ų41.30%019%0.185CC..Hα-helixtrans-52.1-56-170.8170.90000111.3A410 I434 V436 I444 V449 L450 A451 V458 M468 I472A410-V447 HydrophobicContact CB-CG2 3.79Å; I434-V447 HydrophobicContact CG2-CG2 4.42Å; V436-V447 HydrophobicContact CG2-CG1 4.19Å; V436-V447 HydrophobicContact CG2-CG2 3.89Å; I444-V447 HydrophobicContact CB-CG2 4.2Å; I444-V447 PolarHBondContact O-N 2.86Å; I444-V447 VanDerWaalsContact O-N 3.09Å; V447-V449 VanDerWaalsContact C-N 3.33Å; V447-V449 PolarHBondContact O-N 3.16Å; V447-L450 PolarHBondContact O-N 2.87Å; V447-A451 VanDerWaalsContact O-CB 3.22Å; V447-A451 WeakPolarHBondContact O-CB 3.26Å; V447-A451 PolarHBondContact O-N 2.79Å; V447-V458 HydrophobicContact CG1-CG1 3.91Å; V447-V458 HydrophobicContact CG1-CG2 4.27Å; V447-M468 HydrophobicContact CG1-SD 4.18Å; V447-I472 HydrophobicContact CB-CG2 4.33Å; V447-I472 HydrophobicContact CG1-CD1 4.12Å
448G97.6Very high97.7Very high1 Ų141.3 Ų41.31%0.0119%0.185CC..Hα-helixtrans-65.4-35-17600000113.5G446 R452 I472G446-G448 PolarHBondContact O-N 3.47Å; G448-R452 VanDerWaalsContact C-CZ 3.42Å; G448-R452 VanDerWaalsContact C-NH2 3.34Å; G448-R452 WeakPolarHBondContact O-CB 3.36Å; G448-R452 WeakPolarHBondContact O-CG 3.3Å; G448-R452 PolarHBondContact O-N 3.42Å; G448-R452 VanDerWaalsContact O-N 3.14Å; G448-R452 PolarHBondContact O-NE 2.76Å; G448-R452 PolarHBondContact O-NH1 2.68Å; G448-R452 PolarHBondContact O-NH2 2.71Å; G448-I472 WeakPolarHBondContact CA-O 3.35Å
449V97.1Very high97.7Very high73 Ų7342.7 Ų42.744%0.44219%0.191SC..Hα-helixtrans-68.4-47.9178.6174.50000110.4G446 V447 K453G446-V449 PolarHBondContact O-N 2.84Å; G446-V449 VanDerWaalsContact O-N 3.13Å; V447-V449 VanDerWaalsContact C-N 3.33Å; V447-V449 PolarHBondContact O-N 3.16Å; V449-K453 VanDerWaalsContact O-CB 3.23Å; V449-K453 WeakPolarHBondContact O-CB 3.24Å; V449-K453 PolarHBondContact O-N 3.3Å
450L98.1Very high97.7Very high2 Ų241.3 Ų41.31%0.0118%0.184CC..Hα-helixtrans-64.3-48.2178.9-68.6175.2000111.1L407 A410 I417 I434 G446 V447 R452 K453 Y454L407-L450 HydrophobicContact CD2-CD1 3.72Å; A410-L450 HydrophobicContact CB-CD1 3.89Å; I417-L450 HydrophobicContact CB-CD1 4.35Å; I417-L450 HydrophobicContact CD1-CD1 3.75Å; I417-L450 HydrophobicContact CG2-CD1 4.08Å; I434-L450 HydrophobicContact CD1-CB 3.92Å; G446-L450 WeakPolarHBondContact O-CG 3.47Å; G446-L450 PolarHBondContact O-N 3.13Å; V447-L450 PolarHBondContact O-N 2.87Å; L450-R452 PolarHBondContact O-N 3.39Å; L450-K453 PolarHBondContact O-N 2.84Å; L450-Y454 HydrophobicContact CD2-CD2 3.95Å; L450-Y454 HydrophobicContact CD2-CE2 3.75Å; L450-Y454 PolarHBondContact O-N 3.43Å
451A98Very high97.8Very high0 Ų039.5 Ų39.50%018%0.176CC..Hα-helixtrans-55.1-48.5178.200000111.9V447 K455 L456 V458 V475 Q479V447-A451 VanDerWaalsContact O-CB 3.22Å; V447-A451 WeakPolarHBondContact O-CB 3.26Å; V447-A451 PolarHBondContact O-N 2.79Å; A451-K455 WeakPolarHBondContact O-CA 3.5Å; A451-K455 PolarHBondContact O-N 2.95Å; A451-L456 PolarHBondContact O-N 2.58Å; A451-V458 HydrophobicContact CB-CG2 3.63Å; A451-V475 HydrophobicContact CB-CG1 4.5Å; A451-V475 HydrophobicContact CB-CG2 4.44Å; A451-Q479 PolarHBondContact O-NE2 3.1Å
452R97.5Very high97.8Very high92 Ų9237 Ų3735%0.34717%0.171SC..Hα-helixtrans-67.4-43179.5-75-174.6-68.5-81.1-1.2113.1G448 L450 I472 K474G448-R452 VanDerWaalsContact C-CZ 3.42Å; G448-R452 VanDerWaalsContact C-NH2 3.34Å; G448-R452 WeakPolarHBondContact O-CB 3.36Å; G448-R452 WeakPolarHBondContact O-CG 3.3Å; G448-R452 PolarHBondContact O-N 3.42Å; G448-R452 VanDerWaalsContact O-N 3.14Å; G448-R452 PolarHBondContact O-NE 2.76Å; G448-R452 PolarHBondContact O-NH1 2.68Å; G448-R452 PolarHBondContact O-NH2 2.71Å; L450-R452 PolarHBondContact O-N 3.39Å; R452-I472 PolarHBondContact NH1-O 3.46Å; R452-I472 PolarHBondContact NH2-O 3.27Å; R452-K474 WeakPolarHBondContact CD-O 3.49Å; R452-K474 WeakPolarHBondContact CG-O 3.37Å; R452-K474 PolarHBondContact NH1-O 3.48Å
453K97.2Very high97.9Very high136 Ų13641.7 Ų41.759%0.59119%0.19SC*.Hα-helixtrans-70.4-41.7-173.2-173.9179.3176.7-1590111.6V449 L450V449-K453 VanDerWaalsContact O-CB 3.23Å; V449-K453 WeakPolarHBondContact O-CB 3.24Å; V449-K453 PolarHBondContact O-N 3.3Å; L450-K453 PolarHBondContact O-N 2.84Å
454Y97.2Very high97.9Very high36 Ų3641.7 Ų41.714%0.14119%0.19CC..Hα-helixtrans-106.22.4-174.3-60.8-65.8000113.6P428 E429 L450 L456P428-Y454 HydrophobicContact CB-CD2 4.11Å; P428-Y454 HydrophobicContact CB-CE1 4.07Å; P428-Y454 HydrophobicContact CB-CE2 3.61Å; P428-Y454 HydrophobicContact CG-CE1 3.89Å; P428-Y454 HydrophobicContact CG-CE2 3.95Å; P428-Y454 VanDerWaalsContact CG-CZ 3.41Å; P428-Y454 WeakPolarHBondContact CG-OH 3.21Å; E429-Y454 HydrophobicContact CG-CD1 4.18Å; E429-Y454 HydrophobicContact CG-CE1 3.88Å; E429-Y454 VanDerWaalsContact OE1-CE1 3.25Å; E429-Y454 WeakPolarHBondContact OE1-CE1 3.49Å; L450-Y454 HydrophobicContact CD2-CD2 3.95Å; L450-Y454 HydrophobicContact CD2-CE2 3.75Å; L450-Y454 PolarHBondContact O-N 3.43Å; Y454-L456 VanDerWaalsContact C-N 3.26Å; Y454-L456 PolarHBondContact O-N 2.86Å
455K97.2Very high97.9Very high133 Ų13342.2 Ų42.258%0.57819%0.192SC*.THydrogen-bonded Turntrans58.137.3178.8-58.5-59.7-171.5174.40113.3A451A451-K455 WeakPolarHBondContact O-CA 3.5Å; A451-K455 PolarHBondContact O-N 2.95Å
456L98.1Very high97.9Very high5 Ų544.9 Ų44.93%0.02621%0.205CC..  trans-79.6134.2-176.9-58170.4000111.5L431 I434 A451 Y454 Q479L431-L456 HydrophobicContact CB-CD1 4.01Å; L431-L456 HydrophobicContact CB-CD2 3.71Å; L431-L456 HydrophobicContact CD1-CD1 4.11Å; L431-L456 WeakPolarHBondContact O-CD2 3.28Å; I434-L456 HydrophobicContact CD1-CB 4.39Å; I434-L456 HydrophobicContact CD1-CD1 3.89Å; I434-L456 HydrophobicContact CG1-CB 4.23Å; I434-L456 HydrophobicContact CG1-CD1 3.88Å; A451-L456 PolarHBondContact O-N 2.58Å; Y454-L456 VanDerWaalsContact C-N 3.26Å; Y454-L456 PolarHBondContact O-N 2.86Å; L456-Q479 PolarHBondContact O-NE2 3.33Å
457P98.3Very high97.9Very high31 Ų3146.5 Ų46.520%0.20122%0.218CC..  trans-64.4140.6163.329-33.3000110.1D432 A433 I434 Y459 H481D432-P457 WeakPolarHBondContact O-CD 3.38Å; D432-P457 WeakPolarHBondContact O-CG 3.45Å; A433-P457 WeakPolarHBondContact CA-O 3.4Å; A433-P457 HydrophobicContact CB-CG 4.14Å; I434-P457 PolarHBondContact N-O 2.93Å; P457-Y459 HydrophobicContact CB-CE2 3.8Å; P457-Y459 HydrophobicContact CG-CE2 4.05Å; P457-H481 VanDerWaalsContact CB-CD2 3.46Å; P457-H481 WeakPolarHBondContact CB-CD2 3.46Å; P457-H481 WeakPolarHBondContact CB-NE2 3.5Å
458V98.7Very high97.9Very high0 Ų046.5 Ų46.50%022%0.218CC..EExtended strand (participates in β ladder)trans-118.6128.4-179.6-176.40000108.7I434 V436 V447 A451 W465 Q479 H481I434-V458 HydrophobicContact CB-CG2 4.32Å; I434-V458 HydrophobicContact CD1-CG2 4.46Å; I434-V458 CarbonylContact O-C 3.11Å; I434-V458 VanDerWaalsContact O-CA 3.32Å; I434-V458 WeakPolarHBondContact O-CA 3.22Å; V436-V458 HydrophobicContact CG2-CG1 3.87Å; V447-V458 HydrophobicContact CG1-CG1 3.91Å; V447-V458 HydrophobicContact CG1-CG2 4.27Å; A451-V458 HydrophobicContact CB-CG2 3.63Å; V458-W465 HydrophobicContact CB-CH2 3.89Å; V458-W465 HydrophobicContact CB-CZ2 3.7Å; V458-W465 HydrophobicContact CG1-CH2 3.86Å; V458-W465 HydrophobicContact CG1-CZ2 3.69Å; V458-W465 WeakPolarHBondContact O-CZ2 3.21Å; V458-Q479 PolarHBondContact N-O 3.27Å; V458-H481 PolarHBondContact O-N 2.77Å
459Y98.7Very high97.8Very high29 Ų2948.2 Ų48.211%0.11423%0.232CC..EExtended strand (participates in β ladder)trans-114.6125.2-175.9-68.1-98.6000110A433 I434 L435 V436 P457 H481 F483 L489 L491A433-Y459 HydrophobicContact CB-CD2 4.16Å; A433-Y459 HydrophobicContact CB-CE2 3.9Å; I434-Y459 PolarHBondContact O-N 2.88Å; L435-Y459 HydrophobicContact CD2-CG 4.19Å; V436-Y459 PolarHBondContact N-O 2.92Å; P457-Y459 HydrophobicContact CB-CE2 3.8Å; P457-Y459 HydrophobicContact CG-CE2 4.05Å; Y459-H481 WeakPolarHBondContact CA-O 3.37Å; Y459-H481 HydrophobicContact CD1-CB 3.34Å; Y459-H481 HydrophobicContact CD2-CB 4.38Å; Y459-H481 HydrophobicContact CE1-CB 3.38Å; Y459-H481 AromaticContact CE1-CG 3.71Å; Y459-H481 HydrophobicContact CE2-CB 4.41Å; Y459-H481 HydrophobicContact CG-CB 3.87Å; Y459-H481 AromaticContact CZ-CG 3.82Å; Y459-F483 HydrophobicContact CD1-CB 4.44Å; Y459-L489 HydrophobicContact CD1-CD2 3.47Å; Y459-L489 VanDerWaalsContact CD1-CD2 3.47Å; Y459-L489 HydrophobicContact CE1-CD1 4.26Å; Y459-L489 HydrophobicContact CE1-CD2 3.63Å; Y459-L489 HydrophobicContact CG-CD2 4.12Å; Y459-L491 HydrophobicContact CE2-CD1 4.33Å; Y459-L491 HydrophobicContact CE2-CD2 4.48Å
460A98.5Very high97.8Very high0 Ų049.8 Ų49.80%024%0.244CC..EExtended strand (participates in β ladder)trans-156.5161.617500000109.1V436 T464 W465 M468 H481 I482 F483V436-A460 HydrophobicContact CB-CB 4.19Å; A460-T464 HydrophobicContact CB-CG2 4.06Å; A460-W465 HydrophobicContact CB-CG 4.25Å; A460-M468 HydrophobicContact CB-CE 4.1Å; A460-H481 PolarHBondContact N-O 3.01Å; A460-I482 CarbonylContact O-C 3.53Å; A460-I482 VanDerWaalsContact O-CA 3.3Å; A460-I482 WeakPolarHBondContact O-CA 3.34Å; A460-F483 PolarHBondContact O-N 2.79Å
461N98.3Very high97.8Very high5 Ų555.3 Ų55.33%0.02727%0.273CS..  trans-71.7167.3170.96960.1000111.3K463 T464 W465 F483 A507 Q509N461-K463 PolarHBondContact O-N 2.89Å; N461-K463 PolarHBondContact OD1-N 3.5Å; N461-K463 VanDerWaalsContact OD1-N 3.15Å; N461-T464 PolarHBondContact ND2-OG1 3.25Å; N461-T464 PolarHBondContact O-N 3.49Å; N461-T464 PolarHBondContact OD1-N 3.19Å; N461-T464 PolarHBondContact OD1-OG1 3.38Å; N461-T464 VanDerWaalsContact OD1-OG1 3.09Å; N461-W465 PolarHBondContact O-N 3.36Å; N461-F483 WeakPolarHBondContact CA-O 3.44Å; N461-F483 WeakPolarHBondContact CB-O 3.48Å; N461-F483 PolarHBondContact N-O 3.02Å; N461-A507 PolarHBondContact ND2-O 2.65Å; N461-Q509 PolarHBondContact ND2-OE1 3.5Å; N461-Q509 VanDerWaalsContact ND2-OE1 3.11Å
462E98.1Very high97.7Very high115 Ų11556 Ų5654%0.53728%0.276SS..Hα-helixtrans-58.5-44.6-174.6-171.9169.4-141.600112.7W465 E466 I482E462-W465 WeakPolarHBondContact O-CB 3.42Å; E462-W465 PolarHBondContact O-N 3.41Å; E462-E466 WeakPolarHBondContact O-CG 3.3Å; E462-E466 PolarHBondContact O-N 3.32Å; E462-I482 HydrophobicContact CB-CD1 4.42Å
463K98.3Very high97.5Very high132 Ų13253.5 Ų53.557%0.57428%0.279SS*.Hα-helixtrans-67.5-42.3-178.4-70.5176.3175.7177.50112.4N461 W465 E466 A467 A506 A507N461-K463 PolarHBondContact O-N 2.89Å; N461-K463 PolarHBondContact OD1-N 3.5Å; N461-K463 VanDerWaalsContact OD1-N 3.15Å; K463-W465 VanDerWaalsContact C-N 3.31Å; K463-W465 PolarHBondContact O-N 3.13Å; K463-E466 PolarHBondContact O-N 2.86Å; K463-A467 PolarHBondContact O-N 2.86Å; K463-A467 VanDerWaalsContact O-N 3.08Å; K463-A506 HydrophobicContact CB-CB 4.45Å; K463-A507 HydrophobicContact CB-CB 3.95Å; K463-A507 HydrophobicContact CD-CB 3.77Å; K463-A507 HydrophobicContact CG-CB 4.48Å
464T98.3Very high97.4Very high0 Ų055 Ų550%029%0.286CS..Hα-helixtrans-61.6-41.7173.7-55.20000110.7V436 A460 N461 A467 M468 A506V436-T464 HydrophobicContact CG1-CG2 4.17Å; A460-T464 HydrophobicContact CB-CG2 4.06Å; N461-T464 PolarHBondContact ND2-OG1 3.25Å; N461-T464 PolarHBondContact O-N 3.49Å; N461-T464 PolarHBondContact OD1-N 3.19Å; N461-T464 PolarHBondContact OD1-OG1 3.38Å; N461-T464 VanDerWaalsContact OD1-OG1 3.09Å; T464-A467 PolarHBondContact O-N 3.29Å; T464-M468 WeakPolarHBondContact O-CB 3.37Å; T464-M468 PolarHBondContact O-N 3.48Å; T464-A506 PolarHBondContact N-O 2.69Å; T464-A506 PolarHBondContact OG1-O 2.88Å
465W97.9Very high97.3Very high15 Ų1553.6 Ų53.66%0.05728%0.281CS..Hα-helixtrans-60-46.7175.4-99.2117.7000113V458 A460 N461 E462 K463 A467 M468 A469 I472 V475 K480 H481 I482V458-W465 HydrophobicContact CB-CH2 3.89Å; V458-W465 HydrophobicContact CB-CZ2 3.7Å; V458-W465 HydrophobicContact CG1-CH2 3.86Å; V458-W465 HydrophobicContact CG1-CZ2 3.69Å; V458-W465 WeakPolarHBondContact O-CZ2 3.21Å; A460-W465 HydrophobicContact CB-CG 4.25Å; N461-W465 PolarHBondContact O-N 3.36Å; E462-W465 WeakPolarHBondContact O-CB 3.42Å; E462-W465 PolarHBondContact O-N 3.41Å; K463-W465 VanDerWaalsContact C-N 3.31Å; K463-W465 PolarHBondContact O-N 3.13Å; W465-A467 VanDerWaalsContact C-N 3.31Å; W465-A467 PolarHBondContact O-N 3.35Å; W465-M468 HydrophobicContact CD2-CE 3.84Å; W465-M468 HydrophobicContact CE3-CE 3.64Å; W465-M468 HydrophobicContact CG-CE 4.45Å; W465-M468 HydrophobicContact CH2-CE 4.15Å; W465-M468 HydrophobicContact CZ2-CE 4.35Å; W465-M468 HydrophobicContact CZ3-CE 3.81Å; W465-M468 PolarHBondContact O-N 3.39Å; W465-A469 VanDerWaalsContact O-CB 3.23Å; W465-A469 WeakPolarHBondContact O-CB 2.76Å; W465-A469 PolarHBondContact O-N 2.89Å; W465-I472 HydrophobicContact CZ3-CD1 4.06Å; W465-V475 HydrophobicContact CH2-CG1 4.38Å; W465-K480 HydrophobicContact CE3-CD 4.12Å; W465-K480 HydrophobicContact CE3-CG 4.49Å; W465-K480 HydrophobicContact CH2-CB 4.14Å; W465-K480 HydrophobicContact CH2-CD 4.08Å; W465-K480 HydrophobicContact CH2-CG 3.61Å; W465-K480 HydrophobicContact CZ2-CB 3.78Å; W465-K480 HydrophobicContact CZ2-CD 4.43Å; W465-K480 HydrophobicContact CZ2-CG 3.8Å; W465-K480 HydrophobicContact CZ3-CD 3.9Å; W465-K480 HydrophobicContact CZ3-CG 3.97Å; W465-H481 PolarHBondContact NE1-O 2.89Å; W465-I482 HydrophobicContact CG-CD1 4.39Å
466E97.5Very high97.3Very high137 Ų13749.8 Ų49.864%0.6427%0.267SS*.Hα-helixtrans-58.5-43.9177.9-73.3179.816800111.6E462 K463 P470E462-E466 WeakPolarHBondContact O-CG 3.3Å; E462-E466 PolarHBondContact O-N 3.32Å; K463-E466 PolarHBondContact O-N 2.86Å; E466-P470 WeakPolarHBondContact O-CD 3.34Å
467A97.9Very high97.1Very high34 Ų3455.4 Ų55.428%0.28130%0.302SS..Hα-helixtrans-75.7-35.9-178.700000113.2E439 K463 T464 W465 P470 A506E439-A467 HydrophobicContact CB-CB 3.96Å; E439-A467 HydrophobicContact CG-CB 3.64Å; K463-A467 PolarHBondContact O-N 2.86Å; K463-A467 VanDerWaalsContact O-N 3.08Å; T464-A467 PolarHBondContact O-N 3.29Å; W465-A467 VanDerWaalsContact C-N 3.31Å; W465-A467 PolarHBondContact O-N 3.35Å; A467-P470 WeakPolarHBondContact O-CD 3.11Å; A467-A506 HydrophobicContact CB-CB 3.65Å
468M97.6Very high97Very high0 Ų061.2 Ų61.20%033%0.326CS..Hα-helixtrans-76.9-35.6-179.3169.2175.650.900113.3V436 E439 I444 V447 A460 T464 W465 P470 L471 I472V436-M468 HydrophobicContact CB-CE 4.45Å; V436-M468 HydrophobicContact CB-SD 4.49Å; V436-M468 HydrophobicContact CG1-CE 4.36Å; V436-M468 HydrophobicContact CG1-SD 4Å; V436-M468 HydrophobicContact CG2-CE 4.36Å; V436-M468 HydrophobicContact CG2-SD 4.16Å; E439-M468 HydrophobicContact CB-CB 4.15Å; I444-M468 HydrophobicContact CB-CG 4.4Å; I444-M468 HydrophobicContact CB-SD 4.28Å; I444-M468 HydrophobicContact CD1-CB 4.32Å; I444-M468 HydrophobicContact CD1-CG 3.97Å; I444-M468 HydrophobicContact CG2-CG 4.21Å; I444-M468 HydrophobicContact CG2-SD 3.83Å; V447-M468 HydrophobicContact CG1-SD 4.18Å; A460-M468 HydrophobicContact CB-CE 4.1Å; T464-M468 WeakPolarHBondContact O-CB 3.37Å; T464-M468 PolarHBondContact O-N 3.48Å; W465-M468 HydrophobicContact CD2-CE 3.84Å; W465-M468 HydrophobicContact CE3-CE 3.64Å; W465-M468 HydrophobicContact CG-CE 4.45Å; W465-M468 HydrophobicContact CH2-CE 4.15Å; W465-M468 HydrophobicContact CZ2-CE 4.35Å; W465-M468 HydrophobicContact CZ3-CE 3.81Å; W465-M468 PolarHBondContact O-N 3.39Å; M468-P470 VanDerWaalsContact C-CD 3.43Å; M468-P470 VanDerWaalsContact C-N 3.35Å; M468-L471 WeakPolarHBondContact O-CB 3.42Å; M468-L471 PolarHBondContact O-N 2.81Å; M468-I472 HydrophobicContact CG-CB 4.41Å; M468-I472 HydrophobicContact CG-CD1 3.79Å; M468-I472 HydrophobicContact CG-CG1 4Å; M468-I472 HydrophobicContact CG-CG2 3.54Å; M468-I472 PolarHBondContact O-N 2.78Å; M468-I472 HydrophobicContact SD-CD1 3.91Å; M468-I472 HydrophobicContact SD-CG2 4.12Å
469A96.3Very high97Very high38 Ų3861.6 Ų61.631%0.31433%0.328SS..THydrogen-bonded Turntrans-54-38.6-170.200000115.1W465 L471W465-A469 VanDerWaalsContact O-CB 3.23Å; W465-A469 WeakPolarHBondContact O-CB 2.76Å; W465-A469 PolarHBondContact O-N 2.89Å; A469-L471 VanDerWaalsContact C-N 3.26Å; A469-L471 PolarHBondContact O-N 3.46Å
470P96.5Very high97Very high106 Ų10664.1 Ų64.169%0.68834%0.339SS*.THydrogen-bonded Turntrans-68.4-21.1175.3-20.534.2000114.3E466 A467 M468E466-P470 WeakPolarHBondContact O-CD 3.34Å; A467-P470 WeakPolarHBondContact O-CD 3.11Å; M468-P470 VanDerWaalsContact C-CD 3.43Å; M468-P470 VanDerWaalsContact C-N 3.35Å
471L96.9Very high96.9Very high118 Ų11867.3 Ų67.362%0.61835%0.354SS*.THydrogen-bonded Turntrans-96.1-26.9-168.7-57.5176.1000113.4I444 M468 A469I444-L471 HydrophobicContact CD1-CB 3.66Å; I444-L471 HydrophobicContact CD1-CD1 3.71Å; I444-L471 HydrophobicContact CD1-CG 4.32Å; M468-L471 WeakPolarHBondContact O-CB 3.42Å; M468-L471 PolarHBondContact O-N 2.81Å; A469-L471 VanDerWaalsContact C-N 3.26Å; A469-L471 PolarHBondContact O-N 3.46Å
472I96.8Very high97Very high13 Ų1371.4 Ų71.47%0.06738%0.375CS..SBendtrans-99.2-1.6-173.665.1166000114.3I444 V447 G448 R452 W465 M468 V475I444-I472 HydrophobicContact CB-CG2 3.96Å; I444-I472 HydrophobicContact CD1-CG2 3.88Å; I444-I472 HydrophobicContact CG1-CG2 4.15Å; V447-I472 HydrophobicContact CB-CG2 4.33Å; V447-I472 HydrophobicContact CG1-CD1 4.12Å; G448-I472 WeakPolarHBondContact CA-O 3.35Å; R452-I472 PolarHBondContact NH1-O 3.46Å; R452-I472 PolarHBondContact NH2-O 3.27Å; W465-I472 HydrophobicContact CZ3-CD1 4.06Å; M468-I472 HydrophobicContact CG-CB 4.41Å; M468-I472 HydrophobicContact CG-CD1 3.79Å; M468-I472 HydrophobicContact CG-CG1 4Å; M468-I472 HydrophobicContact CG-CG2 3.54Å; M468-I472 PolarHBondContact O-N 2.78Å; M468-I472 HydrophobicContact SD-CD1 3.91Å; M468-I472 HydrophobicContact SD-CG2 4.12Å; I472-V475 HydrophobicContact CD1-CG2 3.71Å; I472-V475 HydrophobicContact CG1-CG2 4.36Å
473G93.9Very high97Very high40 Ų4066.3 Ų66.341%0.41235%0.351SS..  trans71.9-176.1-171.400000112.9V475G473-V475 PolarHBondContact O-N 2.87Å
474K93.9Very high96.9Very high167 Ų16764.1 Ų64.173%0.72634%0.343SS*.  trans-64.6124.4-174.6-171-179.3175.9-171.70111.4R452R452-K474 WeakPolarHBondContact CD-O 3.49Å; R452-K474 WeakPolarHBondContact CG-O 3.37Å; R452-K474 PolarHBondContact NH1-O 3.48Å
475V96.1Very high96.8Very high8 Ų868.8 Ų68.85%0.04837%0.366CS..  trans-118.8133.5166.6175.50000106.8A451 W465 I472 G473 Q479 K480A451-V475 HydrophobicContact CB-CG1 4.5Å; A451-V475 HydrophobicContact CB-CG2 4.44Å; W465-V475 HydrophobicContact CH2-CG1 4.38Å; I472-V475 HydrophobicContact CD1-CG2 3.71Å; I472-V475 HydrophobicContact CG1-CG2 4.36Å; G473-V475 PolarHBondContact O-N 2.87Å; V475-Q479 HydrophobicContact CG1-CB 3.77Å; V475-K480 HydrophobicContact CG1-CG 4.32Å; V475-K480 WeakPolarHBondContact O-CE 3.43Å
476D96.1Very high96.5Very high52 Ų5270.6 Ų70.628%0.27839%0.389SS..  trans-67.3146.5-175.9-68.1-34.9000110.6E478 Q479D476-E478 HydrophobicContact CB-CG 4.08Å; D476-E478 PolarHBondContact O-N 2.88Å; D476-Q479 WeakPolarHBondContact O-CB 3.24Å; D476-Q479 PolarHBondContact O-N 2.83Å
477V95Very high96.4Very high124 Ų12470.2 Ų70.275%0.75239%0.385SS*.G310 helixtrans-59.5-35.1-172.5175.10000111.7Q479 K480V477-Q479 PolarHBondContact O-N 3.44Å; V477-K480 PolarHBondContact O-N 2.9Å
478E96.6Very high96.4Very high153 Ų15372.7 Ų72.772%0.71540%0.397SS*.G310 helixtrans-63.5-1917664.4-150.5-152.400114.6D476 H481D476-E478 HydrophobicContact CB-CG 4.08Å; D476-E478 PolarHBondContact O-N 2.88Å; E478-H481 PolarHBondContact O-NE2 2.82Å
479Q97.7Very high96.4Very high8 Ų874.5 Ų74.54%0.03741%0.407CS..G310 helixtrans-92.4-6.3175.6-58.2-175.5-108.300112.1A451 L456 V458 V475 D476 V477A451-Q479 PolarHBondContact O-NE2 3.1Å; L456-Q479 PolarHBondContact O-NE2 3.33Å; V458-Q479 PolarHBondContact N-O 3.27Å; V475-Q479 HydrophobicContact CG1-CB 3.77Å; D476-Q479 WeakPolarHBondContact O-CB 3.24Å; D476-Q479 PolarHBondContact O-N 2.83Å; V477-Q479 PolarHBondContact O-N 3.44Å
480K98Very high96.5Very high82 Ų8276.6 Ų76.636%0.35742%0.416SS..EExtended strand (participates in β ladder)trans-95.7113.4-175.4-56.8-169.6179.8-1740110.5W465 V475 V477W465-K480 HydrophobicContact CE3-CD 4.12Å; W465-K480 HydrophobicContact CE3-CG 4.49Å; W465-K480 HydrophobicContact CH2-CB 4.14Å; W465-K480 HydrophobicContact CH2-CD 4.08Å; W465-K480 HydrophobicContact CH2-CG 3.61Å; W465-K480 HydrophobicContact CZ2-CB 3.78Å; W465-K480 HydrophobicContact CZ2-CD 4.43Å; W465-K480 HydrophobicContact CZ2-CG 3.8Å; W465-K480 HydrophobicContact CZ3-CD 3.9Å; W465-K480 HydrophobicContact CZ3-CG 3.97Å; V475-K480 HydrophobicContact CG1-CG 4.32Å; V475-K480 WeakPolarHBondContact O-CE 3.43Å; V477-K480 PolarHBondContact O-N 2.9Å
481H98.3Very high96.4Very high67 Ų6772.5 Ų72.531%0.3139%0.388SS..EExtended strand (participates in β ladder)trans-116.1133.3177.1-62.7-87.9000110.2P457 V458 Y459 A460 W465 E478P457-H481 VanDerWaalsContact CB-CD2 3.46Å; P457-H481 WeakPolarHBondContact CB-CD2 3.46Å; P457-H481 WeakPolarHBondContact CB-NE2 3.5Å; V458-H481 PolarHBondContact O-N 2.77Å; Y459-H481 WeakPolarHBondContact CA-O 3.37Å; Y459-H481 HydrophobicContact CD1-CB 3.34Å; Y459-H481 HydrophobicContact CD2-CB 4.38Å; Y459-H481 HydrophobicContact CE1-CB 3.38Å; Y459-H481 AromaticContact CE1-CG 3.71Å; Y459-H481 HydrophobicContact CE2-CB 4.41Å; Y459-H481 HydrophobicContact CG-CB 3.87Å; Y459-H481 AromaticContact CZ-CG 3.82Å; A460-H481 PolarHBondContact N-O 3.01Å; W465-H481 PolarHBondContact NE1-O 2.89Å; E478-H481 PolarHBondContact O-NE2 2.82Å
482I98.4Very high96.2Very high91 Ų9168.7 Ų68.747%0.46738%0.376SS..EExtended strand (participates in β ladder)trans-84.5125.4173.3-58-56000108.5A460 E462 W465 E484A460-I482 CarbonylContact O-C 3.53Å; A460-I482 VanDerWaalsContact O-CA 3.3Å; A460-I482 WeakPolarHBondContact O-CA 3.34Å; E462-I482 HydrophobicContact CB-CD1 4.42Å; W465-I482 HydrophobicContact CG-CD1 4.39Å; I482-E484 HydrophobicContact CG2-CG 4.04Å; I482-E484 WeakPolarHBondContact CG2-OE1 3.36Å
483F98.3Very high96Very high7 Ų769.6 Ų69.63%0.03138%0.381CS..  trans-12596.2171.2-176.6-161.1000109.1L435 Y459 A460 N461 K487 L489 I496 Q509 Y511L435-F483 HydrophobicContact CD2-CD1 3.78Å; L435-F483 HydrophobicContact CD2-CE1 4.13Å; Y459-F483 HydrophobicContact CD1-CB 4.44Å; A460-F483 PolarHBondContact O-N 2.79Å; N461-F483 WeakPolarHBondContact CA-O 3.44Å; N461-F483 WeakPolarHBondContact CB-O 3.48Å; N461-F483 PolarHBondContact N-O 3.02Å; F483-K487 HydrophobicContact CD2-CB 4.44Å; F483-K487 HydrophobicContact CE2-CB 4.01Å; F483-K487 VanDerWaalsContact CE2-O 3.25Å; F483-K487 WeakPolarHBondContact CE2-O 3.48Å; F483-K487 WeakPolarHBondContact CZ-O 3.26Å; F483-L489 HydrophobicContact CD1-CB 4.35Å; F483-L489 HydrophobicContact CD1-CD2 4.04Å; F483-L489 HydrophobicContact CD2-CB 3.94Å; F483-L489 HydrophobicContact CE1-CB 4.01Å; F483-L489 HydrophobicContact CE1-CD2 4.29Å; F483-L489 HydrophobicContact CE2-CB 3.57Å; F483-L489 HydrophobicContact CG-CB 4.35Å; F483-L489 HydrophobicContact CG-CD2 4.22Å; F483-L489 HydrophobicContact CZ-CB 3.63Å; F483-I496 HydrophobicContact CE1-CB 4.48Å; F483-I496 HydrophobicContact CE1-CG2 4.05Å; F483-I496 HydrophobicContact CZ-CG2 4.43Å; F483-I496 VanDerWaalsContact CZ-O 3.26Å; F483-I496 WeakPolarHBondContact CZ-O 3.29Å; F483-Q509 PolarHBondContact O-NE2 3.04Å; F483-Q509 PolarHBondContact O-OE1 2.77Å; F483-Y511 HydrophobicContact CD1-CD1 4.47Å; F483-Y511 AromaticContact CD1-CE1 3.67Å; F483-Y511 HydrophobicContact CD1-CE1 3.67Å; F483-Y511 AromaticContact CE1-CD1 3.73Å; F483-Y511 HydrophobicContact CE1-CD1 3.73Å; F483-Y511 AromaticContact CE1-CE1 3.36Å; F483-Y511 HydrophobicContact CE1-CE1 3.36Å; F483-Y511 HydrophobicContact CZ-CD1 4.45Å; F483-Y511 HydrophobicContact CZ-CE1 4.31Å
484E97.2Very high96.1Very high87 Ų8767.7 Ų67.741%0.40736%0.362SS..  trans-68.2141.7-176.3-67.8-62.516000112.6I482 K487 S498I482-E484 HydrophobicContact CG2-CG 4.04Å; I482-E484 WeakPolarHBondContact CG2-OE1 3.36Å; E484-K487 HydrophobicContact CB-CG 3.83Å; E484-K487 VanDerWaalsContact O-CB 3.26Å; E484-K487 WeakPolarHBondContact O-CB 3.06Å; E484-K487 WeakPolarHBondContact O-CG 3.33Å; E484-K487 PolarHBondContact O-N 3.39Å; E484-S498 PolarHBondContact O-OG 3.29Å
485M95Very high96.2Very high98 Ų9863 Ų6348%0.48335%0.345SS..THydrogen-bonded Turntrans-57.4138176.2-174.4178.966.900112K487 S498 G500 Q509M485-K487 VanDerWaalsContact C-N 3.31Å; M485-S498 WeakPolarHBondContact CA-OG 3.47Å; M485-G500 WeakPolarHBondContact SD-CA 3.34Å; M485-Q509 VanDerWaalsContact CA-OE1 3.32Å; M485-Q509 HydrophobicContact CG-CB 4.38Å
486G91.9Very high96.2Very high53 Ų5362.7 Ų62.755%0.54634%0.343SS..THydrogen-bonded Turntrans77.216.4-179.100000113.7S498G486-S498 WeakPolarHBondContact CA-O 3.2Å; G486-S498 PolarHBondContact N-O 3.41Å; G486-S498 PolarHBondContact N-OG 2.95Å
487K96.9Very high96.3Very high128 Ų12862.4 Ų62.456%0.55734%0.34SS*.  trans-111.3158.1176.3-58.8-58.7-179.6-170.60111.6F483 E484 M485 S498F483-K487 HydrophobicContact CD2-CB 4.44Å; F483-K487 HydrophobicContact CE2-CB 4.01Å; F483-K487 VanDerWaalsContact CE2-O 3.25Å; F483-K487 WeakPolarHBondContact CE2-O 3.48Å; F483-K487 WeakPolarHBondContact CZ-O 3.26Å; E484-K487 HydrophobicContact CB-CG 3.83Å; E484-K487 VanDerWaalsContact O-CB 3.26Å; E484-K487 WeakPolarHBondContact O-CB 3.06Å; E484-K487 WeakPolarHBondContact O-CG 3.33Å; E484-K487 PolarHBondContact O-N 3.39Å; M485-K487 VanDerWaalsContact C-N 3.31Å; K487-S498 PolarHBondContact N-OG 2.91Å; K487-S498 VanDerWaalsContact N-OG 3.15Å; K487-S498 PolarHBondContact O-N 3.01Å; K487-S498 PolarHBondContact O-OG 2.75Å; K487-S498 VanDerWaalsContact O-OG 3.08Å
488V97.2Very high96.4Very high86 Ų8656.6 Ų56.652%0.52131%0.305SS..EExtended strand (participates in β ladder)trans-100.8129.4168.5-177.60000109.3D495 I496 E497V488-D495 HydrophobicContact CG1-CB 4.14Å; V488-I496 CarbonylContact C-O 3.5Å; V488-I496 VanDerWaalsContact CA-O 3.25Å; V488-I496 WeakPolarHBondContact CA-O 3.25Å; V488-E497 HydrophobicContact CG2-CB 4.07Å; V488-E497 HydrophobicContact CG2-CG 4.11Å
489L97.4Very high96.4Very high39 Ų3949.6 Ų49.620%0.20427%0.272CS..EExtended strand (participates in β ladder)trans-114.2126.1171.4170.968.1000108.5L435 Y459 F483 L491 I496L435-L489 HydrophobicContact CD2-CD2 4.49Å; Y459-L489 HydrophobicContact CD1-CD2 3.47Å; Y459-L489 VanDerWaalsContact CD1-CD2 3.47Å; Y459-L489 HydrophobicContact CE1-CD1 4.26Å; Y459-L489 HydrophobicContact CE1-CD2 3.63Å; Y459-L489 HydrophobicContact CG-CD2 4.12Å; F483-L489 HydrophobicContact CD1-CB 4.35Å; F483-L489 HydrophobicContact CD1-CD2 4.04Å; F483-L489 HydrophobicContact CD2-CB 3.94Å; F483-L489 HydrophobicContact CE1-CB 4.01Å; F483-L489 HydrophobicContact CE1-CD2 4.29Å; F483-L489 HydrophobicContact CE2-CB 3.57Å; F483-L489 HydrophobicContact CG-CB 4.35Å; F483-L489 HydrophobicContact CG-CD2 4.22Å; F483-L489 HydrophobicContact CZ-CB 3.63Å; L489-L491 HydrophobicContact CD1-CD2 4.41Å; L489-L491 HydrophobicContact CD2-CD1 4.14Å; L489-L491 HydrophobicContact CD2-CD2 4.31Å; L489-L491 HydrophobicContact CD2-CG 4.06Å; L489-L491 HydrophobicContact CG-CD2 4.35Å; L489-L491 HydrophobicContact CG-CG 4.12Å; L489-I496 PolarHBondContact N-O 3.11Å; L489-I496 WeakPolarHBondContact O-CB 3.46Å; L489-I496 PolarHBondContact O-N 3.39Å
490T97.3Very high96.3Very high82 Ų8250.4 Ų50.450%0.50328%0.282SS..EExtended strand (participates in β ladder)trans-95.7122.8172.7-50.40000110L494 D495T490-L494 CarbonylContact C-O 3.5Å; T490-L494 WeakPolarHBondContact CA-O 3.07Å; T490-D495 WeakPolarHBondContact CB-OD1 3.17Å; T490-D495 VanDerWaalsContact CG2-OD1 3.28Å; T490-D495 WeakPolarHBondContact CG2-OD1 3.38Å; T490-D495 PolarHBondContact OG1-OD1 2.88Å
491L95.3Very high96.2Very high20 Ų2047.4 Ų47.411%0.10527%0.271CS..EExtended strand (participates in β ladder)trans-118.2108170.4-67.3-179.9000108.7K404 I406 A433 Y459 L489 D493 L494 I496K404-L491 HydrophobicContact CG-CB 4.38Å; K404-L491 WeakPolarHBondContact CG-O 3.46Å; I406-L491 HydrophobicContact CD1-CB 4.19Å; I406-L491 HydrophobicContact CD1-CD1 3.82Å; I406-L491 HydrophobicContact CG1-CD1 4.5Å; A433-L491 HydrophobicContact CB-CD1 4.05Å; Y459-L491 HydrophobicContact CE2-CD1 4.33Å; Y459-L491 HydrophobicContact CE2-CD2 4.48Å; L489-L491 HydrophobicContact CD1-CD2 4.41Å; L489-L491 HydrophobicContact CD2-CD1 4.14Å; L489-L491 HydrophobicContact CD2-CD2 4.31Å; L489-L491 HydrophobicContact CD2-CG 4.06Å; L489-L491 HydrophobicContact CG-CD2 4.35Å; L489-L491 HydrophobicContact CG-CG 4.12Å; L491-D493 PolarHBondContact O-N 2.8Å; L491-D493 VanDerWaalsContact O-N 3.11Å; L491-L494 PolarHBondContact N-O 3.03Å; L491-L494 PolarHBondContact O-N 3.29Å; L491-I496 HydrophobicContact CB-CD1 4.49Å; L491-I496 HydrophobicContact CD1-CD1 4Å; L491-I496 HydrophobicContact CG-CD1 4.34Å
492G93.8Very high95.9Very high37 Ų3745.3 Ų45.338%0.38126%0.264SS..THydrogen-bonded Turntrans63.5-111.5-175.600000111.1
493D91.9Very high95.7Very high32 Ų3241.4 Ų41.417%0.17124%0.244CC..THydrogen-bonded Turntrans-108.79.4178.158.9-12.6000113.6S401 P402 Q403 L491 K515S401-D493 WeakPolarHBondContact CB-OD1 3.47Å; S401-D493 PolarHBondContact OG-OD1 2.76Å; P402-D493 WeakPolarHBondContact CD-OD2 3.2Å; Q403-D493 WeakPolarHBondContact CB-OD1 3.32Å; Q403-D493 HydrophobicContact CG-CB 4.23Å; L491-D493 PolarHBondContact O-N 2.8Å; L491-D493 VanDerWaalsContact O-N 3.11Å; D493-K515 HydrophobicContact CB-CD 4.32Å; D493-K515 WeakPolarHBondContact O-CD 3.34Å; D493-K515 WeakPolarHBondContact OD2-CE 3.46Å; D493-K515 IonicContact OD2-NZ 2.82Å
494L94.7Very high95.4Very high0 Ų044 Ų440%026%0.258CS..EExtended strand (participates in β ladder)trans-103.6125.8174.5-84.4155.6000111Q383 L399 S401 K404 I406 T490 L491 F513 K515Q383-L494 HydrophobicContact CG-CD2 4.31Å; L399-L494 HydrophobicContact CD2-CD1 3.37Å; L399-L494 HydrophobicContact CD2-CD2 3.63Å; L399-L494 HydrophobicContact CD2-CG 4.16Å; S401-L494 WeakPolarHBondContact OG-CD1 3.44Å; K404-L494 HydrophobicContact CB-CD1 4.3Å; I406-L494 HydrophobicContact CD1-CD1 4.04Å; T490-L494 CarbonylContact C-O 3.5Å; T490-L494 WeakPolarHBondContact CA-O 3.07Å; L491-L494 PolarHBondContact N-O 3.03Å; L491-L494 PolarHBondContact O-N 3.29Å; L494-F513 HydrophobicContact CD2-CB 4.47Å; L494-K515 HydrophobicContact CD2-CB 4.31Å
495D96.1Very high95.3Very high70 Ų7040.8 Ų40.837%0.37425%0.246SC..EExtended strand (participates in β ladder)trans-95.7128.1167.6-75.3-31.5000109.5V488 T490 F513 Y514V488-D495 HydrophobicContact CG1-CB 4.14Å; T490-D495 WeakPolarHBondContact CB-OD1 3.17Å; T490-D495 VanDerWaalsContact CG2-OD1 3.28Å; T490-D495 WeakPolarHBondContact CG2-OD1 3.38Å; T490-D495 PolarHBondContact OG1-OD1 2.88Å; D495-F513 CarbonylContact O-C 3.59Å; D495-Y514 PolarHBondContact N-O 2.92Å; D495-Y514 PolarHBondContact O-N 3.41Å
496I97.8Very high95.3Very high0 Ų037.4 Ų37.40%023%0.233CC..EExtended strand (participates in β ladder)trans-122.5111.3-172.3-46.2-179.9000107.7I406 L435 F483 V488 L489 L491 Y511 F513I406-I496 HydrophobicContact CD1-CD1 3.64Å; L435-I496 HydrophobicContact CD1-CD1 3.78Å; L435-I496 HydrophobicContact CD1-CG2 4.09Å; F483-I496 HydrophobicContact CE1-CB 4.48Å; F483-I496 HydrophobicContact CE1-CG2 4.05Å; F483-I496 HydrophobicContact CZ-CG2 4.43Å; F483-I496 VanDerWaalsContact CZ-O 3.26Å; F483-I496 WeakPolarHBondContact CZ-O 3.29Å; V488-I496 CarbonylContact C-O 3.5Å; V488-I496 VanDerWaalsContact CA-O 3.25Å; V488-I496 WeakPolarHBondContact CA-O 3.25Å; L489-I496 PolarHBondContact N-O 3.11Å; L489-I496 WeakPolarHBondContact O-CB 3.46Å; L489-I496 PolarHBondContact O-N 3.39Å; L491-I496 HydrophobicContact CB-CD1 4.49Å; L491-I496 HydrophobicContact CD1-CD1 4Å; L491-I496 HydrophobicContact CG-CD1 4.34Å; I496-Y511 HydrophobicContact CG2-CD1 3.95Å; I496-Y511 HydrophobicContact CG2-CG 4.17Å; I496-F513 HydrophobicContact CB-CD1 4.38Å; I496-F513 HydrophobicContact CD1-CD1 4.15Å; I496-F513 HydrophobicContact CD1-CE1 4.07Å; I496-F513 HydrophobicContact CG1-CD1 3.91Å; I496-F513 HydrophobicContact CG1-CE1 4.23Å; I496-F513 HydrophobicContact CG2-CD1 3.84Å; I496-F513 HydrophobicContact CG2-CE1 3.63Å; I496-F513 HydrophobicContact CG2-CZ 4.29Å
497E97.7Very high95.5Very high47 Ų4736.2 Ų36.222%0.2222%0.218CC..EExtended strand (participates in β ladder)trans-96.6125.7177.1-175.4175.7-165.800109.9V488 Y511 R512 Y514V488-E497 HydrophobicContact CG2-CB 4.07Å; V488-E497 HydrophobicContact CG2-CG 4.11Å; E497-Y511 CarbonylContact O-C 3.57Å; E497-Y511 VanDerWaalsContact O-CA 3.27Å; E497-Y511 WeakPolarHBondContact O-CA 3.43Å; E497-R512 PolarHBondContact N-O 3.04Å; E497-R512 PolarHBondContact O-N 2.94Å; E497-Y514 HydrophobicContact CB-CE2 3.77Å; E497-Y514 WeakPolarHBondContact OE2-CE2 3.12Å; E497-Y514 PolarHBondContact OE2-OH 3.2Å
498S97.6Very high95.5Very high1 Ų130.5 Ų30.51%0.00719%0.194CC..EExtended strand (participates in β ladder)trans-93.1144.3174.758.90000111.7E484 M485 G486 K487 F510E484-S498 PolarHBondContact O-OG 3.29Å; M485-S498 WeakPolarHBondContact CA-OG 3.47Å; G486-S498 WeakPolarHBondContact CA-O 3.2Å; G486-S498 PolarHBondContact N-O 3.41Å; G486-S498 PolarHBondContact N-OG 2.95Å; K487-S498 PolarHBondContact N-OG 2.91Å; K487-S498 VanDerWaalsContact N-OG 3.15Å; K487-S498 PolarHBondContact O-N 3.01Å; K487-S498 PolarHBondContact O-OG 2.75Å; K487-S498 VanDerWaalsContact O-OG 3.08Å; S498-F510 CarbonylContact C-O 3.56Å; S498-F510 VanDerWaalsContact CA-O 3.32Å; S498-F510 WeakPolarHBondContact CA-O 3.44Å
499F96.6Very high95.5Very high6 Ų626.4 Ų26.43%0.02617%0.17CC..EExtended strand (participates in β ladder)trans-142.6148.817356.8-93.5000111.2V501 Q509 F510 R512 V521 M522 L523 V533 T536 I537F499-V501 HydrophobicContact CD2-CG1 4.12Å; F499-V501 HydrophobicContact CE2-CG1 3.97Å; F499-Q509 CarbonylContact O-C 3.59Å; F499-Q509 WeakPolarHBondContact O-CA 3.41Å; F499-Q509 WeakPolarHBondContact O-CB 3.4Å; F499-F510 HydrophobicContact CD2-CB 4.39Å; F499-F510 HydrophobicContact CE1-CB 4.43Å; F499-F510 HydrophobicContact CE2-CB 3.67Å; F499-F510 HydrophobicContact CZ-CB 3.71Å; F499-F510 PolarHBondContact N-O 3.4Å; F499-F510 PolarHBondContact O-N 3.23Å; F499-R512 HydrophobicContact CE1-CB 4.34Å; F499-V521 HydrophobicContact CZ-CG1 4.46Å; F499-M522 VanDerWaalsContact CZ-O 3.3Å; F499-M522 WeakPolarHBondContact CZ-O 3.3Å; F499-L523 HydrophobicContact CE2-CD1 3.96Å; F499-V533 HydrophobicContact CD2-CG1 4.24Å; F499-V533 HydrophobicContact CE2-CG1 4.22Å; F499-T536 HydrophobicContact CB-CG2 4.27Å; F499-T536 HydrophobicContact CD1-CG2 4.02Å; F499-T536 HydrophobicContact CG-CG2 4.36Å; F499-I537 HydrophobicContact CD1-CG2 4.35Å; F499-I537 HydrophobicContact CE1-CG2 3.73Å; F499-I537 HydrophobicContact CE2-CG2 4.1Å; F499-I537 HydrophobicContact CZ-CG2 3.58Å
500G95.5Very high95.5Very high25 Ų2524.5 Ų24.526%0.25816%0.16SC..EExtended strand (participates in β ladder)trans-80.4146.618000000112.7M485 V533M485-G500 WeakPolarHBondContact SD-CA 3.34Å; G500-V533 WeakPolarHBondContact O-CG2 3.27Å
501V94.9Very high95.6Very high20 Ų2020.6 Ų20.612%0.12114%0.136CC..  trans-121.9167.2175.6-620000111.4F499 H503 P508 F510 L523 D525F499-V501 HydrophobicContact CD2-CG1 4.12Å; F499-V501 HydrophobicContact CE2-CG1 3.97Å; V501-H503 PolarHBondContact O-N 3.06Å; V501-P508 HydrophobicContact CG2-CB 3.7Å; V501-P508 HydrophobicContact CG2-CG 3.92Å; V501-P508 PolarHBondContact N-O 3.3Å; V501-F510 HydrophobicContact CG1-CB 4.31Å; V501-F510 HydrophobicContact CG1-CD2 3.94Å; V501-F510 HydrophobicContact CG1-CG 4.49Å; V501-F510 HydrophobicContact CG2-CD2 3.8Å; V501-F510 HydrophobicContact CG2-CE2 4.13Å; V501-L523 HydrophobicContact CG1-CD1 3.94Å; V501-D525 WeakPolarHBondContact CG2-O 3.37Å
502S92Very high95.7Very high22 Ų2220.6 Ų20.615%0.15413%0.134CC..  trans-98.689.1-179.9-171.70000110.8T526 G527 Y528 D570 R571S502-T526 PolarHBondContact N-OG1 3.18Å; S502-T526 VanDerWaalsContact N-OG1 3.14Å; S502-T526 CarbonylContact O-C 3.56Å; S502-T526 WeakPolarHBondContact O-CA 3.45Å; S502-G527 PolarHBondContact O-N 3.36Å; S502-Y528 WeakPolarHBondContact OG-CE1 3.48Å; S502-D570 VanDerWaalsContact CB-O 3.26Å; S502-D570 WeakPolarHBondContact CB-O 3.43Å; S502-D570 PolarHBondContact OG-O 3.4Å; S502-R571 WeakPolarHBondContact O-CA 3.19Å
503H94.4Very high95.9Very high10 Ų1018.9 Ų18.95%0.04612%0.116CC..SBendtrans-143.9155.1179.3-172.969.3000111H438 H440 V501 A505 P508 D525 R571 G572 H573H438-H503 AromaticContact NE2-CD2 3.93Å; H438-H503 AromaticContact NE2-NE2 3.9Å; H440-H503 AromaticContact CE1-CD2 3.68Å; H440-H503 AromaticContact CE1-NE2 3.1Å; H440-H503 PolarHBondContact CE1-NE2 2.83Å; H440-H503 AromaticContact ND1-CD2 3.77Å; H440-H503 AromaticContact ND1-NE2 3.1Å; H440-H503 PolarHBondContact ND1-NE2 3.4Å; V501-H503 PolarHBondContact O-N 3.06Å; H503-A505 PolarHBondContact O-N 2.85Å; H503-P508 HydrophobicContact CB-CB 4.37Å; H503-P508 HydrophobicContact CB-CG 3.95Å; H503-D525 HydrophobicContact CB-CB 4.5Å; H503-D525 WeakPolarHBondContact CB-O 3.21Å; H503-D525 IonicContact CE1-OD1 2.72Å; H503-R571 WeakPolarHBondContact CA-O 3.39Å; H503-R571 PolarHBondContact ND1-O 3.5Å; H503-G572 PolarHBondContact ND1-O 2.8Å; H503-H573 AromaticContact CE1-CE1 3.44Å; H503-H573 PolarHBondContact CE1-CE1 2.81Å; H503-H573 VanDerWaalsContact CE1-CE1 3.44Å; H503-H573 AromaticContact CE1-NE2 3.72Å
504D92Very high96Very high61 Ų6120.4 Ų20.433%0.32612%0.12SC..SBendtrans-82.647.4-172.972.3-30.5000113.8H440 R566 R571H440-D504 IonicContact CE1-OD1 3.72Å; D504-R566 IonicContact OD1-CZ 3.74Å; D504-R566 IonicContact OD1-NE 3.82Å; D504-R566 IonicContact OD1-NH2 2.75Å; D504-R566 PolarHBondContact OD1-NH2 2.86Å; D504-R566 IonicContact OD2-CZ 3.97Å; D504-R566 VanDerWaalsContact OD2-CZ 3.26Å; D504-R566 IonicContact OD2-NE 2.61Å; D504-R566 PolarHBondContact OD2-NE 2.6Å; D504-R566 IonicContact OD2-NH2 3.43Å; D504-R566 PolarHBondContact OD2-NH2 3.46Å; D504-R571 HydrophobicContact CB-CB 4.13Å; D504-R571 PolarHBondContact N-O 3.31Å; D504-R571 VanDerWaalsContact N-O 3.16Å
505A94.8Very high95.9Very high19 Ų1920.9 Ų20.916%0.15712%0.122CC..SBendtrans-118.1174175.900000112.1H438 H503 A507 P508H438-A505 HydrophobicContact CB-CB 3.83Å; H503-A505 PolarHBondContact O-N 2.85Å; A505-A507 PolarHBondContact O-N 2.81Å; A505-P508 HydrophobicContact CB-CB 4.16Å; A505-P508 HydrophobicContact CB-CG 4.32Å; A505-P508 WeakPolarHBondContact O-CD 3.32Å
506A96Very high95.5Very high27 Ų2721.9 Ų21.922%0.22313%0.127CC..SBendtrans-76.688.417900000111.2E439 K463 T464 A467E439-A506 WeakPolarHBondContact OE1-CB 3.42Å; E439-A506 PolarHBondContact OE1-N 3.04Å; E439-A506 WeakPolarHBondContact OE2-CB 3.16Å; E439-A506 PolarHBondContact OE2-N 2.8Å; K463-A506 HydrophobicContact CB-CB 4.45Å; T464-A506 PolarHBondContact N-O 2.69Å; T464-A506 PolarHBondContact OG1-O 2.88Å; A467-A506 HydrophobicContact CB-CB 3.65Å
507A95.9Very high95Very high28 Ų2824.4 Ų24.423%0.23115%0.154CC..SBendtrans53.562.1-178.100000112.5N461 K463 A505 Q509N461-A507 PolarHBondContact ND2-O 2.65Å; K463-A507 HydrophobicContact CB-CB 3.95Å; K463-A507 HydrophobicContact CD-CB 3.77Å; K463-A507 HydrophobicContact CG-CB 4.48Å; A505-A507 PolarHBondContact O-N 2.81Å; A507-Q509 PolarHBondContact O-N 2.86Å
508P97.3Very high94.7Very high8 Ų824.3 Ų24.35%0.05215%0.153CC..  trans-62134.4-179.128.3-35.2000110.5H438 V501 H503 A505H438-P508 HydrophobicContact CB-CB 3.94Å; V501-P508 HydrophobicContact CG2-CB 3.7Å; V501-P508 HydrophobicContact CG2-CG 3.92Å; V501-P508 PolarHBondContact N-O 3.3Å; H503-P508 HydrophobicContact CB-CB 4.37Å; H503-P508 HydrophobicContact CB-CG 3.95Å; A505-P508 HydrophobicContact CB-CB 4.16Å; A505-P508 HydrophobicContact CB-CG 4.32Å; A505-P508 WeakPolarHBondContact O-CD 3.32Å
509Q97.4Very high94.6Very high0 Ų024.3 Ų24.30%015%0.153CC..EExtended strand (participates in β ladder)trans-136.7145.1176.869.8-176.124.300110.9T437 N461 F483 M485 F499 A507 Y511T437-Q509 CarbonylContact C-O 3.55Å; T437-Q509 WeakPolarHBondContact CA-O 3.46Å; T437-Q509 WeakPolarHBondContact CB-O 3.5Å; T437-Q509 WeakPolarHBondContact CG2-O 3.36Å; T437-Q509 PolarHBondContact O-N 3.44Å; N461-Q509 PolarHBondContact ND2-OE1 3.5Å; N461-Q509 VanDerWaalsContact ND2-OE1 3.11Å; F483-Q509 PolarHBondContact O-NE2 3.04Å; F483-Q509 PolarHBondContact O-OE1 2.77Å; M485-Q509 VanDerWaalsContact CA-OE1 3.32Å; M485-Q509 HydrophobicContact CG-CB 4.38Å; F499-Q509 CarbonylContact O-C 3.59Å; F499-Q509 WeakPolarHBondContact O-CA 3.41Å; F499-Q509 WeakPolarHBondContact O-CB 3.4Å; A507-Q509 PolarHBondContact O-N 2.86Å; Q509-Y511 HydrophobicContact CG-CE1 4.39Å; Q509-Y511 PolarHBondContact NE2-OH 2.86Å
510F97.7Very high94.7Very high0 Ų024 Ų240%015%0.152CC..EExtended strand (participates in β ladder)trans-121.2178.3174.5-85.7-96.9000110.3T437 S498 F499 V501 M522 T524 D525T437-F510 HydrophobicContact CG2-CD1 3.82Å; T437-F510 HydrophobicContact CG2-CD2 4.41Å; T437-F510 HydrophobicContact CG2-CE1 3.71Å; T437-F510 HydrophobicContact CG2-CE2 4.29Å; T437-F510 HydrophobicContact CG2-CG 4.18Å; T437-F510 HydrophobicContact CG2-CZ 3.94Å; S498-F510 CarbonylContact C-O 3.56Å; S498-F510 VanDerWaalsContact CA-O 3.32Å; S498-F510 WeakPolarHBondContact CA-O 3.44Å; F499-F510 HydrophobicContact CD2-CB 4.39Å; F499-F510 HydrophobicContact CE1-CB 4.43Å; F499-F510 HydrophobicContact CE2-CB 3.67Å; F499-F510 HydrophobicContact CZ-CB 3.71Å; F499-F510 PolarHBondContact N-O 3.4Å; F499-F510 PolarHBondContact O-N 3.23Å; V501-F510 HydrophobicContact CG1-CB 4.31Å; V501-F510 HydrophobicContact CG1-CD2 3.94Å; V501-F510 HydrophobicContact CG1-CG 4.49Å; V501-F510 HydrophobicContact CG2-CD2 3.8Å; V501-F510 HydrophobicContact CG2-CE2 4.13Å; F510-M522 WeakPolarHBondContact CB-O 3.15Å; F510-M522 HydrophobicContact CD1-CB 3.77Å; F510-M522 HydrophobicContact CE1-CB 4.43Å; F510-T524 WeakPolarHBondContact CE1-OG1 3.34Å; F510-T524 WeakPolarHBondContact CE2-O 3.4Å; F510-T524 VanDerWaalsContact CZ-O 3.29Å; F510-T524 WeakPolarHBondContact CZ-O 3.41Å; F510-T524 WeakPolarHBondContact CZ-OG1 3.18Å; F510-D525 HydrophobicContact CE2-CB 4.15Å; F510-D525 HydrophobicContact CZ-CB 4.26Å
511Y98.2Very high94.8Very high0 Ų022.9 Ų22.90%014%0.14CC..EExtended strand (participates in β ladder)trans-131.7141.5-164.8-53.4-68.7000112.5V408 L435 V436 T437 F483 I496 E497 Q509 F513 M522V408-Y511 HydrophobicContact CG1-CD2 3.82Å; V408-Y511 HydrophobicContact CG1-CE2 3.99Å; L435-Y511 HydrophobicContact CB-CD2 4.47Å; L435-Y511 HydrophobicContact CB-CE2 3.84Å; L435-Y511 HydrophobicContact CD2-CE1 4.43Å; V436-Y511 PolarHBondContact O-OH 2.67Å; T437-Y511 HydrophobicContact CG2-CD2 4.14Å; T437-Y511 HydrophobicContact CG2-CE2 3.77Å; F483-Y511 HydrophobicContact CD1-CD1 4.47Å; F483-Y511 AromaticContact CD1-CE1 3.67Å; F483-Y511 HydrophobicContact CD1-CE1 3.67Å; F483-Y511 AromaticContact CE1-CD1 3.73Å; F483-Y511 HydrophobicContact CE1-CD1 3.73Å; F483-Y511 AromaticContact CE1-CE1 3.36Å; F483-Y511 HydrophobicContact CE1-CE1 3.36Å; F483-Y511 HydrophobicContact CZ-CD1 4.45Å; F483-Y511 HydrophobicContact CZ-CE1 4.31Å; I496-Y511 HydrophobicContact CG2-CD1 3.95Å; I496-Y511 HydrophobicContact CG2-CG 4.17Å; E497-Y511 CarbonylContact O-C 3.57Å; E497-Y511 VanDerWaalsContact O-CA 3.27Å; E497-Y511 WeakPolarHBondContact O-CA 3.43Å; Q509-Y511 HydrophobicContact CG-CE1 4.39Å; Q509-Y511 PolarHBondContact NE2-OH 2.86Å; Y511-F513 HydrophobicContact CD2-CZ 4.24Å; Y511-F513 HydrophobicContact CG-CZ 4.14Å; Y511-M522 PolarHBondContact O-N 2.87Å
512R97.7Very high94.9Very high20 Ų2022.3 Ų22.38%0.07514%0.136CC..EExtended strand (participates in β ladder)trans-109.3126160-176.9166.4177.7178.19.8108.1E497 F499 Y514 S519 F520 V521 T536 R538 D539E497-R512 PolarHBondContact N-O 3.04Å; E497-R512 PolarHBondContact O-N 2.94Å; F499-R512 HydrophobicContact CE1-CB 4.34Å; R512-Y514 HydrophobicContact CB-CE2 4.05Å; R512-Y514 WeakPolarHBondContact CD-OH 3.45Å; R512-Y514 HydrophobicContact CG-CD2 4.23Å; R512-Y514 HydrophobicContact CG-CE1 4.12Å; R512-Y514 HydrophobicContact CG-CE2 3.65Å; R512-Y514 VanDerWaalsContact NE-CE1 3.29Å; R512-Y514 PolarHBondContact NE-OH 3.49Å; R512-S519 PolarHBondContact NE-OG 2.84Å; R512-S519 PolarHBondContact NH2-OG 3.33Å; R512-F520 CarbonylContact C-O 3.56Å; R512-F520 WeakPolarHBondContact CA-O 3.29Å; R512-V521 HydrophobicContact CB-CG2 4.03Å; R512-V521 HydrophobicContact CG-CG2 3.61Å; R512-T536 WeakPolarHBondContact CD-O 3.41Å; R512-T536 PolarHBondContact NH1-O 3.49Å; R512-R538 PolarHBondContact NH1-O 2.57Å; R512-R538 PolarHBondContact NH2-O 3.49Å; R512-R538 VanDerWaalsContact NH2-O 3.13Å; R512-D539 PolarHBondContact NH2-O 3.3Å
513F97.6Very high95.2Very high0 Ų021.4 Ų21.40%013%0.129CC..EExtended strand (participates in β ladder)trans-101.6132.4179.7-56.8-92.4000108.2L399 V408 L435 L494 D495 I496 Y511 S519 F520 M522L399-F513 HydrophobicContact CD1-CB 3.85Å; L399-F513 HydrophobicContact CD1-CD1 3.64Å; L399-F513 HydrophobicContact CD1-CD2 3.68Å; L399-F513 HydrophobicContact CD1-CE1 4.12Å; L399-F513 HydrophobicContact CD1-CE2 4.16Å; L399-F513 HydrophobicContact CD1-CG 3.42Å; L399-F513 VanDerWaalsContact CD1-CG 3.42Å; L399-F513 HydrophobicContact CD1-CZ 4.38Å; L399-F513 HydrophobicContact CD2-CD1 4.39Å; V408-F513 HydrophobicContact CG2-CE1 4.08Å; V408-F513 HydrophobicContact CG2-CE2 4.26Å; V408-F513 HydrophobicContact CG2-CZ 3.45Å; V408-F513 VanDerWaalsContact CG2-CZ 3.45Å; L435-F513 HydrophobicContact CD1-CE1 3.72Å; L435-F513 HydrophobicContact CD1-CZ 4.13Å; L494-F513 HydrophobicContact CD2-CB 4.47Å; D495-F513 CarbonylContact O-C 3.59Å; I496-F513 HydrophobicContact CB-CD1 4.38Å; I496-F513 HydrophobicContact CD1-CD1 4.15Å; I496-F513 HydrophobicContact CD1-CE1 4.07Å; I496-F513 HydrophobicContact CG1-CD1 3.91Å; I496-F513 HydrophobicContact CG1-CE1 4.23Å; I496-F513 HydrophobicContact CG2-CD1 3.84Å; I496-F513 HydrophobicContact CG2-CE1 3.63Å; I496-F513 HydrophobicContact CG2-CZ 4.29Å; Y511-F513 HydrophobicContact CD2-CZ 4.24Å; Y511-F513 HydrophobicContact CG-CZ 4.14Å; F513-S519 CarbonylContact O-C 3.53Å; F513-S519 WeakPolarHBondContact O-CA 3.33Å; F513-S519 VanDerWaalsContact O-CB 3.24Å; F513-S519 WeakPolarHBondContact O-CB 2.97Å; F513-F520 AromaticContact CD2-CD1 3.97Å; F513-F520 HydrophobicContact CD2-CD1 3.97Å; F513-F520 HydrophobicContact CE2-CD1 4.46Å; F513-F520 PolarHBondContact N-O 3.34Å; F513-F520 PolarHBondContact O-N 2.65Å; F513-M522 HydrophobicContact CE2-CG 4.27Å; F513-M522 HydrophobicContact CE2-SD 4.07Å
514Y94.8Very high95.2Very high64 Ų6421 Ų2125%0.25113%0.128SC..EExtended strand (participates in β ladder)trans-120.1137.7179-60.1-93.4000110.3D495 E497 R512 H518D495-Y514 PolarHBondContact N-O 2.92Å; D495-Y514 PolarHBondContact O-N 3.41Å; E497-Y514 HydrophobicContact CB-CE2 3.77Å; E497-Y514 WeakPolarHBondContact OE2-CE2 3.12Å; E497-Y514 PolarHBondContact OE2-OH 3.2Å; R512-Y514 HydrophobicContact CB-CE2 4.05Å; R512-Y514 WeakPolarHBondContact CD-OH 3.45Å; R512-Y514 HydrophobicContact CG-CD2 4.23Å; R512-Y514 HydrophobicContact CG-CE1 4.12Å; R512-Y514 HydrophobicContact CG-CE2 3.65Å; R512-Y514 VanDerWaalsContact NE-CE1 3.29Å; R512-Y514 PolarHBondContact NE-OH 3.49Å; Y514-H518 VanDerWaalsContact CA-O 3.32Å; Y514-H518 WeakPolarHBondContact CA-O 3.5Å
515K92.1Very high95.4Very high11 Ų1118.2 Ų18.25%0.04811%0.113CC..EExtended strand (participates in β ladder)trans-146.7120.4172.3-17865.7173.681.40109.6Q383 D493 L494 G517 H518Q383-K515 HydrophobicContact CB-CB 4.09Å; Q383-K515 HydrophobicContact CB-CG 4.33Å; D493-K515 HydrophobicContact CB-CD 4.32Å; D493-K515 WeakPolarHBondContact O-CD 3.34Å; D493-K515 WeakPolarHBondContact OD2-CE 3.46Å; D493-K515 IonicContact OD2-NZ 2.82Å; L494-K515 HydrophobicContact CD2-CB 4.31Å; K515-G517 PolarHBondContact O-N 3.08Å; K515-H518 PolarHBondContact N-O 2.92Å; K515-H518 WeakPolarHBondContact O-CA 3.43Å; K515-H518 WeakPolarHBondContact O-CB 3.34Å; K515-H518 PolarHBondContact O-N 3.22Å
516D87.4Confident95.4Very high90 Ų9017.3 Ų17.348%0.48111%0.105SC..THydrogen-bonded Turntrans47.935172.7-60.1-7.1000115.3Q381Q381-D516 PolarHBondContact NE2-OD2 2.76Å; Q381-D516 PolarHBondContact OE1-OD2 2.9Å
517G86.8Confident94.9Very high53 Ų5316.7 Ų16.755%0.54610%0.102SC..THydrogen-bonded Turntrans92.3-9.3-179.800000115.1K515 R590K515-G517 PolarHBondContact O-N 3.08Å; G517-R590 PolarHBondContact O-NH1 3.3Å
518H92.7Very high94.4Very high46 Ų4620.9 Ų20.921%0.21311%0.112CC..EExtended strand (participates in β ladder)trans-90.2156.5169.5-62.6-71.1000111.2Y514 K515 D541 I644Y514-H518 VanDerWaalsContact CA-O 3.32Å; Y514-H518 WeakPolarHBondContact CA-O 3.5Å; K515-H518 PolarHBondContact N-O 2.92Å; K515-H518 WeakPolarHBondContact O-CA 3.43Å; K515-H518 WeakPolarHBondContact O-CB 3.34Å; K515-H518 PolarHBondContact O-N 3.22Å; H518-D541 VanDerWaalsContact CA-OD2 3.29Å; H518-D541 WeakPolarHBondContact CA-OD2 3.36Å; H518-D541 IonicContact CE1-OD1 2.89Å; H518-D541 IonicContact CG-OD1 3.49Å; H518-D541 IonicContact ND1-OD1 3.3Å; H518-D541 PolarHBondContact ND1-OD1 2.8Å; H518-I644 HydrophobicContact CB-CB 4.44Å; H518-I644 HydrophobicContact CB-CG2 3.6Å
519S95.5Very high94Very high1 Ų120.9 Ų20.91%0.00711%0.113CC..EExtended strand (participates in β ladder)trans-150.8148.2176.759.50000115R512 F513 A540 D541 A542R512-S519 PolarHBondContact NE-OG 2.84Å; R512-S519 PolarHBondContact NH2-OG 3.33Å; F513-S519 CarbonylContact O-C 3.53Å; F513-S519 WeakPolarHBondContact O-CA 3.33Å; F513-S519 VanDerWaalsContact O-CB 3.24Å; F513-S519 WeakPolarHBondContact O-CB 2.97Å; S519-A540 WeakPolarHBondContact OG-CA 3.24Å; S519-A540 WeakPolarHBondContact OG-CB 3.44Å; S519-D541 PolarHBondContact N-OD2 3.36Å; S519-D541 WeakPolarHBondContact O-CB 3.37Å; S519-D541 PolarHBondContact O-N 3.23Å; S519-A542 PolarHBondContact O-N 3.31Å
520F97.5Very high93.4Very high0 Ų022.7 Ų22.70%013%0.126CC..EExtended strand (participates in β ladder)trans-121.5135.5171.8177.1-104.8000110.5I385 L397 L399 R512 F513 M522 A542 L544 Y595 I644I385-F520 HydrophobicContact CD1-CB 3.55Å; I385-F520 HydrophobicContact CD1-CD1 4.32Å; I385-F520 HydrophobicContact CD1-CD2 3.6Å; I385-F520 HydrophobicContact CD1-CE2 4.34Å; I385-F520 HydrophobicContact CD1-CG 3.56Å; I385-F520 HydrophobicContact CG1-CB 4.45Å; I385-F520 HydrophobicContact CG1-CG 4.27Å; I385-F520 HydrophobicContact CG2-CD1 4.39Å; I385-F520 HydrophobicContact CG2-CD2 4.22Å; I385-F520 HydrophobicContact CG2-CE1 4.13Å; I385-F520 HydrophobicContact CG2-CE2 3.92Å; I385-F520 HydrophobicContact CG2-CG 4.42Å; I385-F520 HydrophobicContact CG2-CZ 3.85Å; L397-F520 HydrophobicContact CD1-CE1 4.1Å; L397-F520 HydrophobicContact CD1-CZ 4.22Å; L397-F520 HydrophobicContact CD2-CD1 4.18Å; L397-F520 HydrophobicContact CD2-CE1 3.49Å; L397-F520 VanDerWaalsContact CD2-CE1 3.49Å; L397-F520 HydrophobicContact CD2-CZ 4.37Å; L397-F520 HydrophobicContact CG-CE1 4.46Å; L399-F520 HydrophobicContact CD1-CD1 4.34Å; R512-F520 CarbonylContact C-O 3.56Å; R512-F520 WeakPolarHBondContact CA-O 3.29Å; F513-F520 AromaticContact CD2-CD1 3.97Å; F513-F520 HydrophobicContact CD2-CD1 3.97Å; F513-F520 HydrophobicContact CE2-CD1 4.46Å; F513-F520 PolarHBondContact N-O 3.34Å; F513-F520 PolarHBondContact O-N 2.65Å; F520-M522 HydrophobicContact CD1-CG 4.35Å; F520-M522 HydrophobicContact CE1-CG 3.61Å; F520-M522 HydrophobicContact CZ-CG 4.37Å; F520-A542 WeakPolarHBondContact CA-O 3.19Å; F520-A542 HydrophobicContact CD2-CB 3.78Å; F520-A542 VanDerWaalsContact CD2-O 3.26Å; F520-A542 WeakPolarHBondContact CD2-O 3.22Å; F520-A542 HydrophobicContact CE2-CB 4.22Å; F520-L544 HydrophobicContact CE2-CB 4.43Å; F520-L544 HydrophobicContact CZ-CB 3.73Å; F520-Y595 HydrophobicContact CE2-CD2 4.32Å; F520-I644 HydrophobicContact CB-CD1 4.15Å
521V98.3Very high92.8Very high0 Ų029 Ų290%016%0.155CC..EExtended strand (participates in β ladder)trans-114.9135.6-179.5168.40000110.4F499 R512 I537 A540 A542 Y543 L544F499-V521 HydrophobicContact CZ-CG1 4.46Å; R512-V521 HydrophobicContact CB-CG2 4.03Å; R512-V521 HydrophobicContact CG-CG2 3.61Å; V521-I537 HydrophobicContact CG1-CB 3.8Å; V521-I537 HydrophobicContact CG1-CG2 3.71Å; V521-I537 HydrophobicContact CG2-CB 4.04Å; V521-I537 HydrophobicContact CG2-CG2 4.34Å; V521-A540 HydrophobicContact CB-CB 4.41Å; V521-A540 HydrophobicContact CG2-CB 3.65Å; V521-A542 PolarHBondContact N-O 2.92Å; V521-Y543 HydrophobicContact CB-CD1 3.56Å; V521-Y543 HydrophobicContact CB-CE1 3.87Å; V521-Y543 HydrophobicContact CB-CG 4.44Å; V521-Y543 HydrophobicContact CG1-CD1 3.81Å; V521-Y543 HydrophobicContact CG1-CE1 4.16Å; V521-Y543 HydrophobicContact CG2-CD1 4.21Å; V521-Y543 HydrophobicContact CG2-CE1 3.99Å; V521-Y543 CarbonylContact O-C 3.54Å; V521-Y543 WeakPolarHBondContact O-CA 3.3Å; V521-L544 PolarHBondContact O-N 2.97Å
522M97.7Very high92.2Very high8 Ų835.9 Ų35.94%0.03919%0.187CC..EExtended strand (participates in β ladder)trans-105.2128.6161.8-62.1177.378.600109.9L397 V408 F499 F510 Y511 F513 F520 L544L397-M522 HydrophobicContact CB-CE 3.92Å; L397-M522 HydrophobicContact CB-SD 4.27Å; L397-M522 HydrophobicContact CD2-CE 4.03Å; L397-M522 HydrophobicContact CD2-CG 3.9Å; L397-M522 HydrophobicContact CD2-SD 3.34Å; L397-M522 WeakPolarHBondContact CD2-SD 3.38Å; L397-M522 HydrophobicContact CG-SD 4.41Å; V408-M522 HydrophobicContact CB-CE 4.37Å; V408-M522 HydrophobicContact CB-SD 3.95Å; V408-M522 HydrophobicContact CG1-CE 4.13Å; V408-M522 HydrophobicContact CG1-SD 3.67Å; V408-M522 HydrophobicContact CG2-SD 4.17Å; F499-M522 VanDerWaalsContact CZ-O 3.3Å; F499-M522 WeakPolarHBondContact CZ-O 3.3Å; F510-M522 WeakPolarHBondContact CB-O 3.15Å; F510-M522 HydrophobicContact CD1-CB 3.77Å; F510-M522 HydrophobicContact CE1-CB 4.43Å; Y511-M522 PolarHBondContact O-N 2.87Å; F513-M522 HydrophobicContact CE2-CG 4.27Å; F513-M522 HydrophobicContact CE2-SD 4.07Å; F520-M522 HydrophobicContact CD1-CG 4.35Å; F520-M522 HydrophobicContact CE1-CG 3.61Å; F520-M522 HydrophobicContact CZ-CG 4.37Å; M522-L544 HydrophobicContact CE-CD2 3.8Å; M522-L544 HydrophobicContact CG-CB 4.48Å; M522-L544 HydrophobicContact CG-CD2 4.39Å
523L96.8Very high91.9Very high3 Ų335.3 Ų35.32%0.01619%0.186CC..EExtended strand (participates in β ladder)trans-137.188.7171.2-177.471.7000108.6F499 V501 T526 A529 V533 I537 L544 V545 E546 L574 V582F499-L523 HydrophobicContact CE2-CD1 3.96Å; V501-L523 HydrophobicContact CG1-CD1 3.94Å; L523-T526 HydrophobicContact CD1-CG2 4.09Å; L523-T526 HydrophobicContact CG-CG2 4.19Å; L523-A529 HydrophobicContact CD2-CB 4.39Å; L523-V533 HydrophobicContact CD1-CG1 4.04Å; L523-I537 HydrophobicContact CD2-CD1 3.79Å; L523-L544 PolarHBondContact N-O 3.04Å; L523-V545 CarbonylContact O-C 3.6Å; L523-V545 WeakPolarHBondContact O-CA 3.19Å; L523-E546 PolarHBondContact O-N 3.42Å; L523-L574 HydrophobicContact CD2-CD1 4.44Å; L523-V582 HydrophobicContact CD2-CG1 3.92Å
524T96.2Very high91.7Very high3 Ų337.1 Ų37.12%0.01819%0.193CC..  trans-123.2174.1169.273.90000111.3F510 T526 L544 E546 H598F510-T524 WeakPolarHBondContact CE1-OG1 3.34Å; F510-T524 WeakPolarHBondContact CE2-O 3.4Å; F510-T524 VanDerWaalsContact CZ-O 3.29Å; F510-T524 WeakPolarHBondContact CZ-O 3.41Å; F510-T524 WeakPolarHBondContact CZ-OG1 3.18Å; T524-T526 PolarHBondContact O-N 3.29Å; T524-L544 HydrophobicContact CG2-CD2 4.48Å; T524-L544 HydrophobicContact CG2-CG 4.23Å; T524-E546 HydrophobicContact CG2-CB 4.25Å; T524-H598 HydrophobicContact CG2-CB 4.02Å
525D96.2Very high91.5Very high1 Ų136.1 Ų36.11%0.00520%0.202CC..SBendtrans49.964.6178.3-58.7-68.1000111.6H438 H443 V501 H503 F510 E546 H573 H598H438-D525 IonicContact CE1-OD2 3.16Å; H438-D525 PolarHBondContact CE1-OD2 3.32Å; H443-D525 IonicContact CE1-OD2 3.84Å; H443-D525 PolarHBondContact CE1-OD2 2.87Å; H443-D525 IonicContact NE2-OD2 2.91Å; H443-D525 PolarHBondContact NE2-OD2 3.3Å; H443-D525 VanDerWaalsContact NE2-OD2 3.16Å; V501-D525 WeakPolarHBondContact CG2-O 3.37Å; H503-D525 HydrophobicContact CB-CB 4.5Å; H503-D525 WeakPolarHBondContact CB-O 3.21Å; H503-D525 IonicContact CE1-OD1 2.72Å; F510-D525 HydrophobicContact CE2-CB 4.15Å; F510-D525 HydrophobicContact CZ-CB 4.26Å; D525-E546 PolarHBondContact N-OE1 3.2Å; D525-E546 PolarHBondContact N-OE2 3.15Å; D525-H573 IonicContact OD1-CE1 3.7Å; D525-H573 PolarHBondContact OD1-CE1 2.77Å; D525-H573 IonicContact OD1-ND1 3.99Å; D525-H573 PolarHBondContact OD1-ND1 3.36Å; D525-H598 IonicContact OD1-CD2 3.95Å; D525-H598 IonicContact OD1-CE1 3.93Å; D525-H598 PolarHBondContact OD1-CE1 3.34Å; D525-H598 IonicContact OD1-CG 2.92Å; D525-H598 IonicContact OD1-ND1 3.27Å; D525-H598 PolarHBondContact OD1-ND1 3.36Å; D525-H598 IonicContact OD1-NE2 3.39Å; D525-H598 PolarHBondContact OD1-NE2 3.04Å; D525-H598 IonicContact OD2-CD2 3.93Å; D525-H598 IonicContact OD2-CE1 2.71Å; D525-H598 IonicContact OD2-NE2 3.69Å
526T94.3Very high91.5Very high1 Ų136.6 Ų36.61%0.00621%0.206CC..  trans-147.1135.5175.1-165.50000111.2S502 L523 T524 Y528 E546 G572 H573 L574S502-T526 PolarHBondContact N-OG1 3.18Å; S502-T526 VanDerWaalsContact N-OG1 3.14Å; S502-T526 CarbonylContact O-C 3.56Å; S502-T526 WeakPolarHBondContact O-CA 3.45Å; L523-T526 HydrophobicContact CD1-CG2 4.09Å; L523-T526 HydrophobicContact CG-CG2 4.19Å; T524-T526 PolarHBondContact O-N 3.29Å; T526-Y528 VanDerWaalsContact C-N 3.33Å; T526-Y528 PolarHBondContact OG1-O 3.38Å; T526-E546 PolarHBondContact N-OE2 3.37Å; T526-G572 CarbonylContact C-O 3.55Å; T526-H573 CarbonylContact O-C 3.51Å; T526-H573 VanDerWaalsContact O-CA 3.31Å; T526-H573 WeakPolarHBondContact O-CA 3.42Å; T526-L574 HydrophobicContact CG2-CD1 3.74Å; T526-L574 HydrophobicContact CG2-CD2 4.23Å; T526-L574 HydrophobicContact CG2-CG 3.73Å; T526-L574 VanDerWaalsContact O-CG 3.28Å; T526-L574 WeakPolarHBondContact O-CG 3.33Å; T526-L574 PolarHBondContact O-N 3.08Å
527G85.5Confident91.9Very high14 Ų1432.4 Ų32.414%0.14418%0.183CC..SBendtrans-77.7-19.3175.300000113.6S502 D570 G572S502-G527 PolarHBondContact O-N 3.36Å; G527-D570 WeakPolarHBondContact CA-O 3.47Å; G527-G572 PolarHBondContact N-O 2.76Å
528Y85.7Confident92.4Very high115 Ų11535.2 Ų35.245%0.45118%0.177SC..  trans-159.4160.8173.269.3-85.6000111.3S502 T526 D570S502-Y528 WeakPolarHBondContact OG-CE1 3.48Å; T526-Y528 VanDerWaalsContact C-N 3.33Å; T526-Y528 PolarHBondContact OG1-O 3.38Å; Y528-D570 HydrophobicContact CD1-CB 4.01Å; Y528-D570 WeakPolarHBondContact CD1-O 3.17Å; Y528-D570 HydrophobicContact CE1-CB 4.11Å
529A87.8Confident92.5Very high9 Ų935.1 Ų35.17%0.07418%0.178CC..  trans-105.5112.6167.800000110.1L523 V533 R534 V582L523-A529 HydrophobicContact CD2-CB 4.39Å; A529-V533 HydrophobicContact CB-CG1 4.46Å; A529-R534 HydrophobicContact CB-CG 4.05Å; A529-R534 PolarHBondContact O-NE 2.95Å; A529-V582 HydrophobicContact CB-CB 4.43Å; A529-V582 HydrophobicContact CB-CG1 3.86Å; A529-V582 HydrophobicContact CB-CG2 3.58Å
530S84.7Confident92.6Very high38 Ų3835 Ų3527%0.26618%0.178SC..  trans-67.6160.3175.773.50000111.8H532 V533 R534S530-H532 PolarHBondContact O-N 3.39Å; S530-H532 PolarHBondContact OG-N 3.36Å; S530-V533 PolarHBondContact O-N 3.14Å; S530-V533 WeakPolarHBondContact OG-CG2 3.23Å; S530-V533 PolarHBondContact OG-N 3.49Å; S530-V533 VanDerWaalsContact OG-N 3.16Å; S530-R534 WeakPolarHBondContact O-CG 3.46Å; S530-R534 PolarHBondContact O-N 2.76Å
531E85Confident92.5Very high133 Ų13335.2 Ų35.262%0.62118%0.179SC*.Hα-helixtrans-56.7-34.9174.2-169.558.3-153.600112.6G535E531-G535 PolarHBondContact O-N 3.37Å
532H86.3Confident92.4Very high144 Ų14435.2 Ų35.267%0.66718%0.179SC*.Hα-helixtrans-64.1-47.2175.1-179.160.1000111.7S530 G535 T536S530-H532 PolarHBondContact O-N 3.39Å; S530-H532 PolarHBondContact OG-N 3.36Å; H532-G535 PolarHBondContact O-N 3.29Å; H532-T536 PolarHBondContact O-N 2.87Å; H532-T536 PolarHBondContact O-OG1 3.44Å
533V91.8Very high92.4Very high8 Ų835 Ų355%0.04818%0.178CC..Hα-helixtrans-62-48.3176.9170.40000110.1F499 G500 L523 A529 S530 G535 T536 I537F499-V533 HydrophobicContact CD2-CG1 4.24Å; F499-V533 HydrophobicContact CE2-CG1 4.22Å; G500-V533 WeakPolarHBondContact O-CG2 3.27Å; L523-V533 HydrophobicContact CD1-CG1 4.04Å; A529-V533 HydrophobicContact CB-CG1 4.46Å; S530-V533 PolarHBondContact O-N 3.14Å; S530-V533 WeakPolarHBondContact OG-CG2 3.23Å; S530-V533 PolarHBondContact OG-N 3.49Å; S530-V533 VanDerWaalsContact OG-N 3.16Å; V533-G535 VanDerWaalsContact C-N 3.28Å; V533-G535 PolarHBondContact O-N 3.45Å; V533-T536 PolarHBondContact O-N 3.22Å; V533-I537 HydrophobicContact CG1-CD1 4.09Å; V533-I537 HydrophobicContact CG1-CG2 4.44Å; V533-I537 VanDerWaalsContact O-CG1 3.3Å; V533-I537 WeakPolarHBondContact O-CG1 3.49Å; V533-I537 PolarHBondContact O-N 2.94Å
534R92.8Very high92.5Very high38 Ų3835.1 Ų35.114%0.14318%0.178CC..Hα-helixtrans-54.8-43.6176.3-70.1170.7-177.2-101.411.5111.5A529 S530 I537 R538 L581 D585 I586A529-R534 HydrophobicContact CB-CG 4.05Å; A529-R534 PolarHBondContact O-NE 2.95Å; S530-R534 WeakPolarHBondContact O-CG 3.46Å; S530-R534 PolarHBondContact O-N 2.76Å; R534-I537 PolarHBondContact O-N 3.38Å; R534-R538 WeakPolarHBondContact O-CB 3.12Å; R534-R538 PolarHBondContact O-N 3.32Å; R534-R538 VanDerWaalsContact O-N 3.09Å; R534-L581 PolarHBondContact NH1-O 2.86Å; R534-D585 IonicContact CZ-OD2 2.65Å; R534-D585 VanDerWaalsContact NH1-CB 3.33Å; R534-D585 VanDerWaalsContact NH1-CG 3.31Å; R534-D585 IonicContact NH1-OD2 3.71Å; R534-D585 PolarHBondContact NH1-OD2 2.76Å; R534-D585 IonicContact NH2-OD2 3.93Å; R534-I586 HydrophobicContact CB-CG2 3.87Å; R534-I586 HydrophobicContact CG-CG2 4.02Å
535G91Very high92.6Very high43 Ų4335 Ų3544%0.44318%0.178SC..Hα-helixtrans-61.9-42174.700000113.7E531 H532 V533E531-G535 PolarHBondContact O-N 3.37Å; H532-G535 PolarHBondContact O-N 3.29Å; V533-G535 VanDerWaalsContact C-N 3.28Å; V533-G535 PolarHBondContact O-N 3.45Å
536T92.1Very high92.6Very high21 Ų2135 Ų3513%0.12918%0.177CC..Hα-helixtrans-68.1-36.1178.4-63.90000112.7F499 R512 H532 V533F499-T536 HydrophobicContact CB-CG2 4.27Å; F499-T536 HydrophobicContact CD1-CG2 4.02Å; F499-T536 HydrophobicContact CG-CG2 4.36Å; R512-T536 WeakPolarHBondContact CD-O 3.41Å; R512-T536 PolarHBondContact NH1-O 3.49Å; H532-T536 PolarHBondContact O-N 2.87Å; H532-T536 PolarHBondContact O-OG1 3.44Å; V533-T536 PolarHBondContact O-N 3.22Å
537I96.1Very high92.7Very high1 Ų135 Ų351%0.00518%0.177CC..Hα-helixtrans-95.9-6.1-173.169.9-177.8000114.7F499 V521 L523 V533 R534 Y543 I586F499-I537 HydrophobicContact CD1-CG2 4.35Å; F499-I537 HydrophobicContact CE1-CG2 3.73Å; F499-I537 HydrophobicContact CE2-CG2 4.1Å; F499-I537 HydrophobicContact CZ-CG2 3.58Å; V521-I537 HydrophobicContact CG1-CB 3.8Å; V521-I537 HydrophobicContact CG1-CG2 3.71Å; V521-I537 HydrophobicContact CG2-CB 4.04Å; V521-I537 HydrophobicContact CG2-CG2 4.34Å; L523-I537 HydrophobicContact CD2-CD1 3.79Å; V533-I537 HydrophobicContact CG1-CD1 4.09Å; V533-I537 HydrophobicContact CG1-CG2 4.44Å; V533-I537 VanDerWaalsContact O-CG1 3.3Å; V533-I537 WeakPolarHBondContact O-CG1 3.49Å; V533-I537 PolarHBondContact O-N 2.94Å; R534-I537 PolarHBondContact O-N 3.38Å; I537-Y543 VanDerWaalsContact O-CE1 3.28Å; I537-Y543 WeakPolarHBondContact O-CE1 3.48Å; I537-Y543 PolarHBondContact O-OH 3.36Å; I537-Y543 VanDerWaalsContact O-OH 3.07Å; I537-I586 HydrophobicContact CD1-CD1 3.52Å; I537-I586 HydrophobicContact CD1-CG2 4.33Å; I537-I586 HydrophobicContact CG1-CB 4.35Å; I537-I586 HydrophobicContact CG1-CD1 3.77Å; I537-I586 HydrophobicContact CG1-CG2 4.02Å
538R96.1Very high93.2Very high113 Ų11334.7 Ų34.743%0.42617%0.172SC..  trans-60.1147.4-176.4-178.5175-82.2148.8-3.9113.1R512 R534 A540 D585 I586R512-R538 PolarHBondContact NH1-O 2.57Å; R512-R538 PolarHBondContact NH2-O 3.49Å; R512-R538 VanDerWaalsContact NH2-O 3.13Å; R534-R538 WeakPolarHBondContact O-CB 3.12Å; R534-R538 PolarHBondContact O-N 3.32Å; R534-R538 VanDerWaalsContact O-N 3.09Å; R538-A540 PolarHBondContact O-N 2.78Å; R538-D585 PolarHBondContact NE-O 2.75Å; R538-D585 VanDerWaalsContact NE-O 3.09Å; R538-D585 PolarHBondContact NH2-O 2.8Å; R538-I586 WeakPolarHBondContact CA-O 2.76Å; R538-I586 HydrophobicContact CB-CB 4.47Å
539D95.1Very high93.3Very high43 Ų4329.3 Ų29.323%0.2315%0.151CC..SBendtrans5450.7172.4-169.641.9000112.7R512 Y543 I586 G588 D589 R590R512-D539 PolarHBondContact NH2-O 3.3Å; D539-Y543 PolarHBondContact N-OH 2.75Å; D539-Y543 VanDerWaalsContact N-OH 3.16Å; D539-I586 PolarHBondContact N-O 2.82Å; D539-G588 VanDerWaalsContact OD1-C 3.28Å; D539-G588 VanDerWaalsContact OD1-CA 3.22Å; D539-G588 WeakPolarHBondContact OD1-CA 3.27Å; D539-D589 PolarHBondContact OD1-N 3.49Å; D539-R590 VanDerWaalsContact CG-NE 3.29Å; D539-R590 WeakPolarHBondContact O-CD 3.42Å; D539-R590 PolarHBondContact O-NE 2.73Å; D539-R590 WeakPolarHBondContact OD1-CG 3.2Å; D539-R590 IonicContact OD1-NE 2.66Å; D539-R590 PolarHBondContact OD1-NE 2.8Å; D539-R590 IonicContact OD2-CZ 3.63Å; D539-R590 VanDerWaalsContact OD2-CZ 3.23Å; D539-R590 IonicContact OD2-NE 3.43Å; D539-R590 PolarHBondContact OD2-NE 3.36Å; D539-R590 IonicContact OD2-NH2 2.85Å; D539-R590 PolarHBondContact OD2-NH2 2.82Å
540A96.7Very high93.4Very high0 Ų030.2 Ų30.20%016%0.155CC..  trans-90.9156.6167.600000111.9S519 V521 R538 Y543 T591S519-A540 WeakPolarHBondContact OG-CA 3.24Å; S519-A540 WeakPolarHBondContact OG-CB 3.44Å; V521-A540 HydrophobicContact CB-CB 4.41Å; V521-A540 HydrophobicContact CG2-CB 3.65Å; R538-A540 PolarHBondContact O-N 2.78Å; A540-Y543 HydrophobicContact CB-CE1 3.85Å; A540-Y543 HydrophobicContact CB-CE2 3.89Å; A540-Y543 PolarHBondContact N-OH 3.39Å; A540-Y543 WeakPolarHBondContact O-CE2 3.47Å; A540-T591 VanDerWaalsContact O-CA 3.27Å; A540-T591 WeakPolarHBondContact O-CA 3.29Å; A540-T591 WeakPolarHBondContact O-CB 3.33Å; A540-T591 PolarHBondContact O-OG1 2.89Å
541D95.8Very high93Very high4 Ų430.1 Ų30.12%0.02115%0.151CC..SBendtrans-74.9-34.1-177.8-55-110.6000111H518 S519 R590 K592 R593 I644H518-D541 VanDerWaalsContact CA-OD2 3.29Å; H518-D541 WeakPolarHBondContact CA-OD2 3.36Å; H518-D541 IonicContact CE1-OD1 2.89Å; H518-D541 IonicContact CG-OD1 3.49Å; H518-D541 IonicContact ND1-OD1 3.3Å; H518-D541 PolarHBondContact ND1-OD1 2.8Å; S519-D541 PolarHBondContact N-OD2 3.36Å; S519-D541 WeakPolarHBondContact O-CB 3.37Å; S519-D541 PolarHBondContact O-N 3.23Å; D541-R590 WeakPolarHBondContact OD2-CD 3.42Å; D541-K592 PolarHBondContact O-N 2.91Å; D541-R593 PolarHBondContact O-N 3.32Å; D541-I644 HydrophobicContact CB-CD1 4.05Å; D541-I644 HydrophobicContact CB-CG2 3.47Å; D541-I644 VanDerWaalsContact CB-CG2 3.47Å
542A96.9Very high92.4Very high0 Ų025.4 Ų25.40%013%0.129CC..EExtended strand (participates in β ladder)trans-148158.1168.700000114.1S519 F520 V521 R593 Y642 I644S519-A542 PolarHBondContact O-N 3.31Å; F520-A542 WeakPolarHBondContact CA-O 3.19Å; F520-A542 HydrophobicContact CD2-CB 3.78Å; F520-A542 VanDerWaalsContact CD2-O 3.26Å; F520-A542 WeakPolarHBondContact CD2-O 3.22Å; F520-A542 HydrophobicContact CE2-CB 4.22Å; V521-A542 PolarHBondContact N-O 2.92Å; A542-R593 CarbonylContact C-O 3.59Å; A542-R593 WeakPolarHBondContact CA-O 3.25Å; A542-R593 HydrophobicContact CB-CB 3.94Å; A542-R593 WeakPolarHBondContact CB-O 3.42Å; A542-Y642 HydrophobicContact CB-CD1 4.39Å; A542-Y642 HydrophobicContact CB-CE1 3.82Å; A542-I644 HydrophobicContact CB-CD1 3.97Å
543Y98.3Very high92.1Very high3 Ų321 Ų211%0.01211%0.11CC..EExtended strand (participates in β ladder)trans-130.8143.7-177-63.2-95.8000111.2V521 I537 D539 A540 M583 I586 L587 T591 R593 Y595V521-Y543 HydrophobicContact CB-CD1 3.56Å; V521-Y543 HydrophobicContact CB-CE1 3.87Å; V521-Y543 HydrophobicContact CB-CG 4.44Å; V521-Y543 HydrophobicContact CG1-CD1 3.81Å; V521-Y543 HydrophobicContact CG1-CE1 4.16Å; V521-Y543 HydrophobicContact CG2-CD1 4.21Å; V521-Y543 HydrophobicContact CG2-CE1 3.99Å; V521-Y543 CarbonylContact O-C 3.54Å; V521-Y543 WeakPolarHBondContact O-CA 3.3Å; I537-Y543 VanDerWaalsContact O-CE1 3.28Å; I537-Y543 WeakPolarHBondContact O-CE1 3.48Å; I537-Y543 PolarHBondContact O-OH 3.36Å; I537-Y543 VanDerWaalsContact O-OH 3.07Å; D539-Y543 PolarHBondContact N-OH 2.75Å; D539-Y543 VanDerWaalsContact N-OH 3.16Å; A540-Y543 HydrophobicContact CB-CE1 3.85Å; A540-Y543 HydrophobicContact CB-CE2 3.89Å; A540-Y543 PolarHBondContact N-OH 3.39Å; A540-Y543 WeakPolarHBondContact O-CE2 3.47Å; Y543-M583 HydrophobicContact CD1-CE 4.06Å; Y543-M583 HydrophobicContact CD2-CE 3.66Å; Y543-M583 HydrophobicContact CE1-CE 4.45Å; Y543-M583 HydrophobicContact CE2-CE 4.06Å; Y543-M583 HydrophobicContact CG-CE 3.65Å; Y543-I586 HydrophobicContact CD1-CD1 4.07Å; Y543-I586 HydrophobicContact CE1-CD1 3.61Å; Y543-I586 HydrophobicContact CE1-CG1 4.23Å; Y543-I586 PolarHBondContact OH-O 3.3Å; Y543-I586 VanDerWaalsContact OH-O 3.08Å; Y543-L587 HydrophobicContact CD2-CD2 4.32Å; Y543-L587 HydrophobicContact CE2-CD2 3.97Å; Y543-T591 HydrophobicContact CD2-CG2 3.83Å; Y543-T591 HydrophobicContact CE2-CG2 3.69Å; Y543-R593 PolarHBondContact N-O 3.04Å; Y543-Y595 WeakPolarHBondContact O-CD2 3.11Å; Y543-Y595 PolarHBondContact O-N 3.33Å
544L98.3Very high91.4Very high6 Ų620.7 Ų20.73%0.03111%0.108CC..EExtended strand (participates in β ladder)trans-106.8110.6154.1173.166.2000107.2I387 F520 V521 M522 L523 T524 Y595 T633I387-L544 HydrophobicContact CG1-CD1 4.23Å; I387-L544 HydrophobicContact CG1-CD2 4.42Å; F520-L544 HydrophobicContact CE2-CB 4.43Å; F520-L544 HydrophobicContact CZ-CB 3.73Å; V521-L544 PolarHBondContact O-N 2.97Å; M522-L544 HydrophobicContact CE-CD2 3.8Å; M522-L544 HydrophobicContact CG-CB 4.48Å; M522-L544 HydrophobicContact CG-CD2 4.39Å; L523-L544 PolarHBondContact N-O 3.04Å; T524-L544 HydrophobicContact CG2-CD2 4.48Å; T524-L544 HydrophobicContact CG2-CG 4.23Å; L544-Y595 WeakPolarHBondContact CA-O 3.22Å; L544-T633 HydrophobicContact CD1-CG2 4.08Å
545V97.9Very high90.5Very high1 Ų121.1 Ų21.11%0.00611%0.109CC..EExtended strand (participates in β ladder)trans-116.1140.5-175.5690000111L523 S547 M583 I594 Y595 L596 G597 M613L523-V545 CarbonylContact O-C 3.6Å; L523-V545 WeakPolarHBondContact O-CA 3.19Å; V545-S547 PolarHBondContact O-N 3.39Å; V545-M583 HydrophobicContact CB-SD 3.9Å; V545-M583 HydrophobicContact CG1-CG 4.24Å; V545-M583 HydrophobicContact CG1-SD 4.04Å; V545-M583 HydrophobicContact CG2-CG 4.38Å; V545-M583 HydrophobicContact CG2-SD 3.81Å; V545-I594 HydrophobicContact CG1-CG2 3.76Å; V545-Y595 PolarHBondContact N-O 3.15Å; V545-L596 HydrophobicContact CG1-CD2 4.03Å; V545-G597 PolarHBondContact O-N 2.79Å; V545-M613 HydrophobicContact CG1-CE 3.72Å
546E97.4Very high89.6Confident0 Ų025.4 Ų25.40%012%0.119CC..EExtended strand (participates in β ladder)trans-66.7130.7176.1171.9166.5-115.600112.1L523 T524 D525 T526 N548 H573 L574 G597 H598L523-E546 PolarHBondContact O-N 3.42Å; T524-E546 HydrophobicContact CG2-CB 4.25Å; D525-E546 PolarHBondContact N-OE1 3.2Å; D525-E546 PolarHBondContact N-OE2 3.15Å; T526-E546 PolarHBondContact N-OE2 3.37Å; E546-N548 HydrophobicContact CG-CB 3.74Å; E546-H573 WeakPolarHBondContact OE1-CB 3.37Å; E546-H573 IonicContact OE1-CE1 3.36Å; E546-H573 IonicContact OE1-CG 3.15Å; E546-H573 IonicContact OE1-ND1 3.54Å; E546-H573 PolarHBondContact OE1-ND1 2.81Å; E546-H573 WeakPolarHBondContact OE2-CA 3.19Å; E546-H573 IonicContact OE2-ND1 3.88Å; E546-L574 HydrophobicContact CB-CB 4.37Å; E546-L574 HydrophobicContact CG-CB 4.09Å; E546-L574 PolarHBondContact OE2-N 2.84Å; E546-G597 WeakPolarHBondContact CA-O 3.2Å; E546-H598 HydrophobicContact CB-CB 4.28Å; E546-H598 HydrophobicContact CG-CB 4.1Å; E546-H598 IonicContact OE1-CE1 3.18Å; E546-H598 IonicContact OE1-CG 2.83Å; E546-H598 IonicContact OE1-ND1 3.64Å; E546-H598 PolarHBondContact OE1-ND1 2.88Å
547S94.9Very high88.5Confident0 Ų025.4 Ų25.40%012%0.123CC..  trans-132.868.2168.8-61.30000106.6V545 N576 G597 L599 N604V545-S547 PolarHBondContact O-N 3.39Å; S547-N576 WeakPolarHBondContact CB-OD1 3.3Å; S547-N576 PolarHBondContact O-OD1 3.31Å; S547-G597 PolarHBondContact N-O 3.16Å; S547-L599 WeakPolarHBondContact O-CG 3.22Å; S547-N604 PolarHBondContact O-ND2 3.27Å
548N96Very high87.7Confident8 Ų830.3 Ų30.34%0.04316%0.164CC..  trans-71.1-47.1-163.3-178.5-100000111.8E546 H573 L574 H598 S600 N604E546-N548 HydrophobicContact CG-CB 3.74Å; N548-H573 HydrophobicContact CB-CB 3.57Å; N548-L574 VanDerWaalsContact CB-O 3.25Å; N548-L574 WeakPolarHBondContact CB-O 3.32Å; N548-L574 PolarHBondContact N-O 3.38Å; N548-H598 WeakPolarHBondContact CA-O 3.41Å; N548-H598 PolarHBondContact ND2-ND1 2.74Å; N548-H598 PolarHBondContact ND2-O 2.76Å; N548-S600 WeakPolarHBondContact O-CA 3.2Å; N548-S600 WeakPolarHBondContact O-CB 3.21Å; N548-S600 PolarHBondContact O-N 2.99Å; N548-N604 WeakPolarHBondContact O-CB 3.49Å; N548-N604 PolarHBondContact O-ND2 2.86Å
549H89Confident86.8Confident2 Ų228.1 Ų28.11%0.00916%0.156CC..BIsolated β-bridgetrans-144.8149.1-172.960.5-81000112L554 I567 S575 N576 N603H549-L554 HydrophobicContact CB-CB 4.29Å; H549-L554 WeakPolarHBondContact CD2-CD2 3.07Å; H549-I567 VanDerWaalsContact CE1-CG2 3.48Å; H549-I567 WeakPolarHBondContact CE1-CG2 3.11Å; H549-I567 WeakPolarHBondContact ND1-CG2 3.47Å; H549-S575 WeakPolarHBondContact O-CA 3.49Å; H549-N576 PolarHBondContact O-N 3.17Å; H549-N603 WeakPolarHBondContact CA-O 3.19Å; H549-N603 HydrophobicContact CB-CB 4.17Å; H549-N603 WeakPolarHBondContact CB-O 3.45Å
550D88.5Confident86.1Confident28 Ų2829.9 Ų29.915%0.1517%0.17CC..  trans-77.9131.8158.2172.8-93000108.4E552 M553 L554 N603 L608D550-E552 PolarHBondContact O-N 2.93Å; D550-E552 WeakPolarHBondContact OD1-CA 3.27Å; D550-E552 WeakPolarHBondContact OD1-CB 3.06Å; D550-E552 PolarHBondContact OD1-N 3.43Å; D550-M553 HydrophobicContact CB-CB 4Å; D550-M553 HydrophobicContact CB-CG 3.93Å; D550-M553 HydrophobicContact CB-SD 4.07Å; D550-M553 PolarHBondContact O-N 2.83Å; D550-M553 WeakPolarHBondContact OD1-CG 3.31Å; D550-M553 PolarHBondContact OD1-N 2.97Å; D550-L554 WeakPolarHBondContact O-CB 3.27Å; D550-L554 PolarHBondContact O-N 2.94Å; D550-N603 PolarHBondContact N-O 2.85Å; D550-L608 HydrophobicContact CB-CD1 4.38Å
551L77.7Confident85.1Confident37 Ų3737.6 Ų37.619%0.19420%0.2CC..Hα-helixtrans-59.5-37.6-174.6-73.2172.3000111.8R555 L568L551-R555 WeakPolarHBondContact O-CB 3.35Å; L551-R555 WeakPolarHBondContact O-CD 3.41Å; L551-R555 WeakPolarHBondContact O-CG 3.38Å; L551-R555 PolarHBondContact O-N 2.85Å; L551-L568 HydrophobicContact CD2-CD2 3.47Å; L551-L568 VanDerWaalsContact CD2-CD2 3.47Å
552E71Confident84.3Confident33 Ų3341.5 Ų41.515%0.15423%0.227CC..Hα-helixtrans-78.4-42.5-176.7-66.1-57.7106.500111.6V163 P164 D550 L554 R555 M556V163-E552 HydrophobicContact CG1-CG 3.86Å; V163-E552 WeakPolarHBondContact CG1-OE1 3.48Å; P164-E552 WeakPolarHBondContact CD-OE2 3.41Å; P164-E552 WeakPolarHBondContact CG-OE2 3.48Å; P164-E552 VanDerWaalsContact O-OE2 3.07Å; D550-E552 PolarHBondContact O-N 2.93Å; D550-E552 WeakPolarHBondContact OD1-CA 3.27Å; D550-E552 WeakPolarHBondContact OD1-CB 3.06Å; D550-E552 PolarHBondContact OD1-N 3.43Å; E552-L554 VanDerWaalsContact C-N 3.28Å; E552-L554 PolarHBondContact O-N 3.32Å; E552-R555 PolarHBondContact O-N 3.01Å; E552-R555 VanDerWaalsContact OE1-CD 3.29Å; E552-R555 WeakPolarHBondContact OE1-CD 3.41Å; E552-R555 IonicContact OE1-CZ 3.32Å; E552-R555 IonicContact OE1-NE 3.02Å; E552-R555 IonicContact OE1-NH1 2.79Å; E552-R555 PolarHBondContact OE1-NH1 2.96Å; E552-M556 WeakPolarHBondContact O-CB 3.11Å; E552-M556 WeakPolarHBondContact O-CG 3.29Å; E552-M556 PolarHBondContact O-N 3.17Å
553M79.8Confident83.7Confident53 Ų5344 Ų4426%0.26124%0.24SC..Hα-helixtrans-57.6-43.4170.6-68.5-173.470.200111.2D550 G557 N603 M605 L608D550-M553 HydrophobicContact CB-CB 4Å; D550-M553 HydrophobicContact CB-CG 3.93Å; D550-M553 HydrophobicContact CB-SD 4.07Å; D550-M553 PolarHBondContact O-N 2.83Å; D550-M553 WeakPolarHBondContact OD1-CG 3.31Å; D550-M553 PolarHBondContact OD1-N 2.97Å; M553-G557 VanDerWaalsContact O-CA 3.25Å; M553-G557 WeakPolarHBondContact O-CA 3.39Å; M553-G557 PolarHBondContact O-N 3.14Å; M553-N603 HydrophobicContact CB-CB 4.37Å; M553-N603 PolarHBondContact O-OD1 3.23Å; M553-M605 HydrophobicContact CE-CG 4.01Å; M553-M605 HydrophobicContact SD-CG 4.07Å; M553-L608 HydrophobicContact CG-CD1 4.44Å; M553-L608 HydrophobicContact SD-CD1 3.51Å; M553-L608 VanDerWaalsContact SD-CD1 3.51Å
554L77.7Confident83Confident0 Ų045 Ų450%024%0.244CC..Hα-helixtrans-64.9-43176.8-179.963.5000112.2H549 D550 E552 Y559 K564 I567 L568 N603H549-L554 HydrophobicContact CB-CB 4.29Å; H549-L554 WeakPolarHBondContact CD2-CD2 3.07Å; D550-L554 WeakPolarHBondContact O-CB 3.27Å; D550-L554 PolarHBondContact O-N 2.94Å; E552-L554 VanDerWaalsContact C-N 3.28Å; E552-L554 PolarHBondContact O-N 3.32Å; L554-Y559 HydrophobicContact CD1-CD2 4.19Å; L554-K564 HydrophobicContact CD1-CG 4.1Å; L554-K564 HydrophobicContact CG-CG 4.37Å; L554-K564 VanDerWaalsContact O-CD 3.31Å; L554-K564 WeakPolarHBondContact O-CD 3.49Å; L554-K564 WeakPolarHBondContact O-CE 3.25Å; L554-I567 HydrophobicContact CD1-CD1 3.77Å; L554-I567 HydrophobicContact CD1-CG2 4.4Å; L554-I567 HydrophobicContact CD2-CB 3.9Å; L554-I567 HydrophobicContact CD2-CG2 3.46Å; L554-I567 VanDerWaalsContact CD2-CG2 3.46Å; L554-L568 HydrophobicContact CD2-CD1 4.38Å; L554-L568 HydrophobicContact CD2-CD2 3.86Å; L554-L568 HydrophobicContact CD2-CG 3.73Å; L554-N603 WeakPolarHBondContact CA-OD1 3.38Å; L554-N603 HydrophobicContact CB-CB 4Å; L554-N603 HydrophobicContact CD1-CB 4.12Å
555R73.9Confident82.1Confident48 Ų4849.7 Ų49.718%0.18127%0.266CS..Hα-helixtrans-66.3-40.1-179.9-77.1166.1-179.1-179.30.9112.2P166 L551 E552 K564P166-R555 HydrophobicContact CG-CB 4.07Å; L551-R555 WeakPolarHBondContact O-CB 3.35Å; L551-R555 WeakPolarHBondContact O-CD 3.41Å; L551-R555 WeakPolarHBondContact O-CG 3.38Å; L551-R555 PolarHBondContact O-N 2.85Å; E552-R555 PolarHBondContact O-N 3.01Å; E552-R555 VanDerWaalsContact OE1-CD 3.29Å; E552-R555 WeakPolarHBondContact OE1-CD 3.41Å; E552-R555 IonicContact OE1-CZ 3.32Å; E552-R555 IonicContact OE1-NE 3.02Å; E552-R555 IonicContact OE1-NH1 2.79Å; E552-R555 PolarHBondContact OE1-NH1 2.96Å; R555-K564 PolarHBondContact O-NZ 3.27Å
556M71.5Confident81.7Confident133 Ų13353.9 Ų53.966%0.65528%0.282SS*.Hα-helixtrans-87.6-16.8-178.5-61.8-57-69.500113.3P166 E552P166-M556 HydrophobicContact CG-SD 4.08Å; E552-M556 WeakPolarHBondContact O-CB 3.11Å; E552-M556 WeakPolarHBondContact O-CG 3.29Å; E552-M556 PolarHBondContact O-N 3.17Å
557G70.7Confident81.1Confident20 Ų2054.3 Ų54.321%0.20628%0.284CS..SBendtrans-64.5166.4-176.700000114.1M553 Y559 K564M553-G557 VanDerWaalsContact O-CA 3.25Å; M553-G557 WeakPolarHBondContact O-CA 3.39Å; M553-G557 PolarHBondContact O-N 3.14Å; G557-Y559 PolarHBondContact O-N 2.81Å; G557-Y559 VanDerWaalsContact O-N 3.17Å; G557-K564 WeakPolarHBondContact O-CE 3.43Å; G557-K564 PolarHBondContact O-NZ 2.97Å
558A78.6Confident80.6Confident105 Ų10557.5 Ų57.587%0.86830%0.301SS*.SBendtrans-73.7-4.9-173.300000114.6
559Y77.9Confident79.6Confident66 Ų6658.3 Ų58.326%0.25931%0.311SS..SBendtrans-62142.7-176.9-76.34.5000112L554 G557 L563 K564 I567 E602 N603L554-Y559 HydrophobicContact CD1-CD2 4.19Å; G557-Y559 PolarHBondContact O-N 2.81Å; G557-Y559 VanDerWaalsContact O-N 3.17Å; Y559-L563 HydrophobicContact CD1-CD2 4.29Å; Y559-L563 HydrophobicContact CD2-CD2 3.5Å; Y559-L563 VanDerWaalsContact CD2-CD2 3.5Å; Y559-L563 HydrophobicContact CD2-CG 3.89Å; Y559-L563 HydrophobicContact CE2-CD2 3.87Å; Y559-L563 HydrophobicContact CE2-CG 4.45Å; Y559-L563 HydrophobicContact CG-CD2 3.72Å; Y559-L563 HydrophobicContact CG-CG 4.36Å; Y559-K564 WeakPolarHBondContact O-CE 3.49Å; Y559-I567 HydrophobicContact CD2-CD1 3.79Å; Y559-I567 HydrophobicContact CE2-CD1 3.94Å; Y559-E602 HydrophobicContact CE1-CB 4.13Å; Y559-E602 HydrophobicContact CE1-CG 4.07Å; Y559-N603 VanDerWaalsContact CD2-ND2 3.3Å; Y559-N603 WeakPolarHBondContact CD2-ND2 3.48Å; Y559-N603 WeakPolarHBondContact CE2-ND2 3.49Å
560P78.8Confident79.2Confident81 Ų8163.9 Ų63.953%0.52634%0.341SS..  trans-59.4147.9171.8-22.933.4000111.4S562 L563 K564P560-S562 PolarHBondContact O-N 3.35Å; P560-S562 VanDerWaalsContact O-N 3.16Å; P560-L563 WeakPolarHBondContact O-CB 3.32Å; P560-L563 PolarHBondContact O-N 3.33Å; P560-K564 PolarHBondContact O-N 3.41Å; P560-K564 VanDerWaalsContact O-N 3.1Å
561W75.9Confident79Confident162 Ų16270.8 Ų70.861%0.61437%0.365SS*.Hα-helixtrans-52.4-40.9-178.4178.6-115.2000113.4L563 K564 Q565W561-L563 VanDerWaalsContact C-N 3.28Å; W561-L563 PolarHBondContact O-N 3.35Å; W561-K564 HydrophobicContact CE3-CB 4.31Å; W561-K564 HydrophobicContact CE3-CD 4.3Å; W561-K564 PolarHBondContact O-N 2.85Å; W561-Q565 HydrophobicContact CD2-CG 4.03Å; W561-Q565 VanDerWaalsContact CE2-CG 3.49Å; W561-Q565 HydrophobicContact CG-CG 4.42Å; W561-Q565 HydrophobicContact CH2-CG 4.34Å; W561-Q565 HydrophobicContact CZ2-CG 3.68Å; W561-Q565 VanDerWaalsContact NE1-OE1 3.14Å; W561-Q565 WeakPolarHBondContact O-CG 3.05Å; W561-Q565 PolarHBondContact O-N 3.06Å
562S80Confident79.6Confident85 Ų8569 Ų6959%0.59436%0.356SS*.Hα-helixtrans-60.5-35.5177.558.40000113.3P560 R566P560-S562 PolarHBondContact O-N 3.35Å; P560-S562 VanDerWaalsContact O-N 3.16Å; S562-R566 PolarHBondContact O-N 3.27Å; S562-R566 VanDerWaalsContact O-N 3.12Å
563L82.9Confident80.6Confident54 Ų5468.4 Ų68.428%0.28335%0.353SS..Hα-helixtrans-74-40.3176.6-179.457.3000110.9Y559 P560 W561 Q565 R566 I567Y559-L563 HydrophobicContact CD1-CD2 4.29Å; Y559-L563 HydrophobicContact CD2-CD2 3.5Å; Y559-L563 VanDerWaalsContact CD2-CD2 3.5Å; Y559-L563 HydrophobicContact CD2-CG 3.89Å; Y559-L563 HydrophobicContact CE2-CD2 3.87Å; Y559-L563 HydrophobicContact CE2-CG 4.45Å; Y559-L563 HydrophobicContact CG-CD2 3.72Å; Y559-L563 HydrophobicContact CG-CG 4.36Å; P560-L563 WeakPolarHBondContact O-CB 3.32Å; P560-L563 PolarHBondContact O-N 3.33Å; W561-L563 VanDerWaalsContact C-N 3.28Å; W561-L563 PolarHBondContact O-N 3.35Å; L563-Q565 VanDerWaalsContact C-N 3.34Å; L563-Q565 PolarHBondContact O-N 2.86Å; L563-R566 WeakPolarHBondContact O-CB 3.48Å; L563-R566 PolarHBondContact O-N 2.88Å; L563-I567 HydrophobicContact CD1-CD1 4.14Å; L563-I567 HydrophobicContact CD1-CG1 4.34Å; L563-I567 HydrophobicContact CG-CD1 3.97Å; L563-I567 WeakPolarHBondContact O-CG1 3.24Å; L563-I567 PolarHBondContact O-N 3.12Å
564K83.7Confident81.3Confident23 Ų2366 Ų6610%0.134%0.341CS..Hα-helixtrans-58.7-45.7173.2-64.3178.9178.4175.30111.4L554 R555 G557 Y559 P560 W561 R566 I567 L568L554-K564 HydrophobicContact CD1-CG 4.1Å; L554-K564 HydrophobicContact CG-CG 4.37Å; L554-K564 VanDerWaalsContact O-CD 3.31Å; L554-K564 WeakPolarHBondContact O-CD 3.49Å; L554-K564 WeakPolarHBondContact O-CE 3.25Å; R555-K564 PolarHBondContact O-NZ 3.27Å; G557-K564 WeakPolarHBondContact O-CE 3.43Å; G557-K564 PolarHBondContact O-NZ 2.97Å; Y559-K564 WeakPolarHBondContact O-CE 3.49Å; P560-K564 PolarHBondContact O-N 3.41Å; P560-K564 VanDerWaalsContact O-N 3.1Å; W561-K564 HydrophobicContact CE3-CB 4.31Å; W561-K564 HydrophobicContact CE3-CD 4.3Å; W561-K564 PolarHBondContact O-N 2.85Å; K564-R566 VanDerWaalsContact C-N 3.33Å; K564-R566 PolarHBondContact O-N 2.92Å; K564-I567 PolarHBondContact O-N 3.05Å; K564-L568 WeakPolarHBondContact O-CB 3.48Å; K564-L568 WeakPolarHBondContact O-CG 3.27Å; K564-L568 PolarHBondContact O-N 3.18Å
565Q80Confident81.9Confident105 Ų10566 Ų6649%0.49134%0.341SS..Hα-helixtrans-62.6-37.7176.5-72.1-169.5-68.200113.1W561 L563 G569W561-Q565 HydrophobicContact CD2-CG 4.03Å; W561-Q565 VanDerWaalsContact CE2-CG 3.49Å; W561-Q565 HydrophobicContact CG-CG 4.42Å; W561-Q565 HydrophobicContact CH2-CG 4.34Å; W561-Q565 HydrophobicContact CZ2-CG 3.68Å; W561-Q565 VanDerWaalsContact NE1-OE1 3.14Å; W561-Q565 WeakPolarHBondContact O-CG 3.05Å; W561-Q565 PolarHBondContact O-N 3.06Å; L563-Q565 VanDerWaalsContact C-N 3.34Å; L563-Q565 PolarHBondContact O-N 2.86Å; Q565-G569 PolarHBondContact O-N 3.48Å; Q565-G569 VanDerWaalsContact O-N 3.12Å
566R88.8Confident82.7Confident89 Ų8963.8 Ų63.834%0.33633%0.333SS..Hα-helixtrans-62.8-47.1174.5176.8-174.5171.5-96.8-2.2110.8D504 S562 L563 K564 G569 G572D504-R566 IonicContact OD1-CZ 3.74Å; D504-R566 IonicContact OD1-NE 3.82Å; D504-R566 IonicContact OD1-NH2 2.75Å; D504-R566 PolarHBondContact OD1-NH2 2.86Å; D504-R566 IonicContact OD2-CZ 3.97Å; D504-R566 VanDerWaalsContact OD2-CZ 3.26Å; D504-R566 IonicContact OD2-NE 2.61Å; D504-R566 PolarHBondContact OD2-NE 2.6Å; D504-R566 IonicContact OD2-NH2 3.43Å; D504-R566 PolarHBondContact OD2-NH2 3.46Å; S562-R566 PolarHBondContact O-N 3.27Å; S562-R566 VanDerWaalsContact O-N 3.12Å; L563-R566 WeakPolarHBondContact O-CB 3.48Å; L563-R566 PolarHBondContact O-N 2.88Å; K564-R566 VanDerWaalsContact C-N 3.33Å; K564-R566 PolarHBondContact O-N 2.92Å; R566-G569 PolarHBondContact O-N 2.96Å; R566-G572 WeakPolarHBondContact O-CA 3.38Å
567I86.5Confident83.5Confident8 Ų860.3 Ų60.34%0.04132%0.317CS..Hα-helixtrans-64.6-43.3-178.5-66.3163.4000111.1H549 L554 Y559 L563 K564 G569 G572 H573H549-I567 VanDerWaalsContact CE1-CG2 3.48Å; H549-I567 WeakPolarHBondContact CE1-CG2 3.11Å; H549-I567 WeakPolarHBondContact ND1-CG2 3.47Å; L554-I567 HydrophobicContact CD1-CD1 3.77Å; L554-I567 HydrophobicContact CD1-CG2 4.4Å; L554-I567 HydrophobicContact CD2-CB 3.9Å; L554-I567 HydrophobicContact CD2-CG2 3.46Å; L554-I567 VanDerWaalsContact CD2-CG2 3.46Å; Y559-I567 HydrophobicContact CD2-CD1 3.79Å; Y559-I567 HydrophobicContact CE2-CD1 3.94Å; L563-I567 HydrophobicContact CD1-CD1 4.14Å; L563-I567 HydrophobicContact CD1-CG1 4.34Å; L563-I567 HydrophobicContact CG-CD1 3.97Å; L563-I567 WeakPolarHBondContact O-CG1 3.24Å; L563-I567 PolarHBondContact O-N 3.12Å; K564-I567 PolarHBondContact O-N 3.05Å; I567-G569 VanDerWaalsContact C-N 3.28Å; I567-G569 PolarHBondContact O-N 3.48Å; I567-G572 WeakPolarHBondContact O-CA 3.28Å; I567-H573 HydrophobicContact CG2-CB 4.49Å; I567-H573 PolarHBondContact O-N 2.73Å; I567-H573 VanDerWaalsContact O-N 3.09Å
568L83.1Confident84.3Confident67 Ų6762.7 Ų62.735%0.35133%0.325SS..THydrogen-bonded Turntrans-76-9.2179.3-69.9169.6000114.5L551 L554 K564L551-L568 HydrophobicContact CD2-CD2 3.47Å; L551-L568 VanDerWaalsContact CD2-CD2 3.47Å; L554-L568 HydrophobicContact CD2-CD1 4.38Å; L554-L568 HydrophobicContact CD2-CD2 3.86Å; L554-L568 HydrophobicContact CD2-CG 3.73Å; K564-L568 WeakPolarHBondContact O-CB 3.48Å; K564-L568 WeakPolarHBondContact O-CG 3.27Å; K564-L568 PolarHBondContact O-N 3.18Å
569G76.3Confident85.1Confident25 Ų2557.7 Ų57.726%0.25828%0.284SS..SBendtrans-85.7168.1-174.100000113.1Q565 R566 I567 R571 G572Q565-G569 PolarHBondContact O-N 3.48Å; Q565-G569 VanDerWaalsContact O-N 3.12Å; R566-G569 PolarHBondContact O-N 2.96Å; I567-G569 VanDerWaalsContact C-N 3.28Å; I567-G569 PolarHBondContact O-N 3.48Å; G569-R571 PolarHBondContact O-N 3.05Å; G569-G572 WeakPolarHBondContact O-CA 3.28Å; G569-G572 PolarHBondContact O-N 3.34Å
570D79.8Confident85.8Confident120 Ų12054.6 Ų54.664%0.64227%0.271SS*.THydrogen-bonded Turntrans-57.8-15.7179.6-60.2-9.1000114.8S502 G527 Y528S502-D570 VanDerWaalsContact CB-O 3.26Å; S502-D570 WeakPolarHBondContact CB-O 3.43Å; S502-D570 PolarHBondContact OG-O 3.4Å; G527-D570 WeakPolarHBondContact CA-O 3.47Å; Y528-D570 HydrophobicContact CD1-CB 4.01Å; Y528-D570 WeakPolarHBondContact CD1-O 3.17Å; Y528-D570 HydrophobicContact CE1-CB 4.11Å
571R85Confident86.3Confident173 Ų17353.7 Ų53.765%0.65326%0.262SS*.THydrogen-bonded Turntrans-112.213.7176.4-62.1-175.1176.6176.2-1.8113.3S502 H503 D504 G569S502-R571 WeakPolarHBondContact O-CA 3.19Å; H503-R571 WeakPolarHBondContact CA-O 3.39Å; H503-R571 PolarHBondContact ND1-O 3.5Å; D504-R571 HydrophobicContact CB-CB 4.13Å; D504-R571 PolarHBondContact N-O 3.31Å; D504-R571 VanDerWaalsContact N-O 3.16Å; G569-R571 PolarHBondContact O-N 3.05Å
572G89.3Confident87.1Confident0 Ų046.1 Ų46.10%023%0.233CC..SBendtrans-91.2-120.3179.700000111.3H503 T526 G527 R566 I567 G569H503-G572 PolarHBondContact ND1-O 2.8Å; T526-G572 CarbonylContact C-O 3.55Å; G527-G572 PolarHBondContact N-O 2.76Å; R566-G572 WeakPolarHBondContact O-CA 3.38Å; I567-G572 WeakPolarHBondContact O-CA 3.28Å; G569-G572 WeakPolarHBondContact O-CA 3.28Å; G569-G572 PolarHBondContact O-N 3.34Å
573H93.2Very high87.9Confident20 Ų2042.1 Ų42.19%0.09321%0.205CC..  trans-138.1152-174.3-62.9-81.3000110.9H503 D525 T526 E546 N548 I567 S575 H598H503-H573 AromaticContact CE1-CE1 3.44Å; H503-H573 PolarHBondContact CE1-CE1 2.81Å; H503-H573 VanDerWaalsContact CE1-CE1 3.44Å; H503-H573 AromaticContact CE1-NE2 3.72Å; D525-H573 IonicContact OD1-CE1 3.7Å; D525-H573 PolarHBondContact OD1-CE1 2.77Å; D525-H573 IonicContact OD1-ND1 3.99Å; D525-H573 PolarHBondContact OD1-ND1 3.36Å; T526-H573 CarbonylContact O-C 3.51Å; T526-H573 VanDerWaalsContact O-CA 3.31Å; T526-H573 WeakPolarHBondContact O-CA 3.42Å; E546-H573 WeakPolarHBondContact OE1-CB 3.37Å; E546-H573 IonicContact OE1-CE1 3.36Å; E546-H573 IonicContact OE1-CG 3.15Å; E546-H573 IonicContact OE1-ND1 3.54Å; E546-H573 PolarHBondContact OE1-ND1 2.81Å; E546-H573 WeakPolarHBondContact OE2-CA 3.19Å; E546-H573 IonicContact OE2-ND1 3.88Å; N548-H573 HydrophobicContact CB-CB 3.57Å; I567-H573 HydrophobicContact CG2-CB 4.49Å; I567-H573 PolarHBondContact O-N 2.73Å; I567-H573 VanDerWaalsContact O-N 3.09Å; H573-S575 PolarHBondContact O-N 3.11Å; H573-H598 AromaticContact CE1-CE1 3.68Å; H573-H598 AromaticContact CE1-ND1 3.93Å; H573-H598 AromaticContact ND1-CE1 3.94Å; H573-H598 AromaticContact ND1-ND1 3.73Å
574L93.2Very high88.4Confident2 Ų240.4 Ų40.41%0.0120%0.197CC..  trans-67.7131.7171.3-64.3178.1000109.4L523 T526 E546 N548 D578 V582L523-L574 HydrophobicContact CD2-CD1 4.44Å; T526-L574 HydrophobicContact CG2-CD1 3.74Å; T526-L574 HydrophobicContact CG2-CD2 4.23Å; T526-L574 HydrophobicContact CG2-CG 3.73Å; T526-L574 VanDerWaalsContact O-CG 3.28Å; T526-L574 WeakPolarHBondContact O-CG 3.33Å; T526-L574 PolarHBondContact O-N 3.08Å; E546-L574 HydrophobicContact CB-CB 4.37Å; E546-L574 HydrophobicContact CG-CB 4.09Å; E546-L574 PolarHBondContact OE2-N 2.84Å; N548-L574 VanDerWaalsContact CB-O 3.25Å; N548-L574 WeakPolarHBondContact CB-O 3.32Å; N548-L574 PolarHBondContact N-O 3.38Å; L574-D578 HydrophobicContact CB-CB 4.41Å; L574-D578 HydrophobicContact CD2-CB 3.96Å; L574-V582 HydrophobicContact CD1-CG2 4.23Å
575S91.7Very high88.8Confident0 Ų042.9 Ų42.90%021%0.211CC..BIsolated β-bridgetrans-68.7168.9164.268.60000110.5H549 H573 D577 D578 G579H549-S575 WeakPolarHBondContact O-CA 3.49Å; H573-S575 PolarHBondContact O-N 3.11Å; S575-D577 VanDerWaalsContact C-N 3.26Å; S575-D577 PolarHBondContact O-N 2.81Å; S575-D578 PolarHBondContact O-N 3.43Å; S575-D578 WeakPolarHBondContact OG-CB 3.43Å; S575-D578 PolarHBondContact OG-N 2.79Å; S575-D578 PolarHBondContact OG-OD2 3.1Å; S575-G579 PolarHBondContact O-N 3.15Å
576N90.2Very high89.5Confident1 Ų137.9 Ų37.91%0.00519%0.188CC..Hα-helixtrans-55.1-44.9172.6-64.2-15.6000111.3S547 H549 A580 N604 T612S547-N576 WeakPolarHBondContact CB-OD1 3.3Å; S547-N576 PolarHBondContact O-OD1 3.31Å; H549-N576 PolarHBondContact O-N 3.17Å; N576-A580 WeakPolarHBondContact O-CB 3.49Å; N576-A580 PolarHBondContact O-N 3.3Å; N576-N604 PolarHBondContact ND2-OD1 2.95Å; N576-N604 PolarHBondContact OD1-ND2 2.77Å; N576-T612 HydrophobicContact CB-CG2 3.71Å
577D87.6Confident89.9Confident60 Ų6034.9 Ų34.932%0.32118%0.178SC..Hα-helixtrans-64.3-47.8178.9-62.7-90.9000112S575 G579 A580 L581 T612S575-D577 VanDerWaalsContact C-N 3.26Å; S575-D577 PolarHBondContact O-N 2.81Å; D577-G579 PolarHBondContact O-N 2.85Å; D577-A580 PolarHBondContact O-N 2.78Å; D577-L581 WeakPolarHBondContact O-CG 3.31Å; D577-L581 PolarHBondContact O-N 2.75Å; D577-T612 HydrophobicContact CB-CG2 4.49Å
578D88.5Confident90.1Very high71 Ų7135.4 Ų35.438%0.3819%0.186SC..Hα-helixtrans-66.7-39.9-178.6-63.1-48.2000111.1L574 S575 A580 L581 V582L574-D578 HydrophobicContact CB-CB 4.41Å; L574-D578 HydrophobicContact CD2-CB 3.96Å; S575-D578 PolarHBondContact O-N 3.43Å; S575-D578 WeakPolarHBondContact OG-CB 3.43Å; S575-D578 PolarHBondContact OG-N 2.79Å; S575-D578 PolarHBondContact OG-OD2 3.1Å; D578-A580 VanDerWaalsContact C-N 3.33Å; D578-A580 PolarHBondContact O-N 3.02Å; D578-L581 PolarHBondContact O-N 3.14Å; D578-V582 VanDerWaalsContact O-CG2 3.32Å; D578-V582 WeakPolarHBondContact O-CG2 3.43Å; D578-V582 PolarHBondContact O-N 3.04Å
579G94.8Very high90.4Very high0 Ų038.8 Ų38.80%021%0.205CC..Hα-helixtrans-57-46.9172.700000111.5S575 D577 V582 M583S575-G579 PolarHBondContact O-N 3.15Å; D577-G579 PolarHBondContact O-N 2.85Å; G579-V582 WeakPolarHBondContact O-CB 3.42Å; G579-V582 PolarHBondContact O-N 3.08Å; G579-M583 WeakPolarHBondContact O-CG 3.4Å; G579-M583 PolarHBondContact O-N 3.37Å; G579-M583 VanDerWaalsContact O-N 3.13Å
580A93.4Very high91.1Very high0 Ų042 Ų420%021%0.209CC..Hα-helixtrans-65.5-40.717800000113.3N576 D577 D578 V582 M583 T584 M613 T616N576-A580 WeakPolarHBondContact O-CB 3.49Å; N576-A580 PolarHBondContact O-N 3.3Å; D577-A580 PolarHBondContact O-N 2.78Å; D578-A580 VanDerWaalsContact C-N 3.33Å; D578-A580 PolarHBondContact O-N 3.02Å; A580-V582 VanDerWaalsContact C-N 3.28Å; A580-V582 PolarHBondContact O-N 3.16Å; A580-M583 WeakPolarHBondContact O-CB 3.14Å; A580-M583 PolarHBondContact O-N 2.76Å; A580-M583 VanDerWaalsContact O-N 3.11Å; A580-T584 PolarHBondContact O-N 2.82Å; A580-T584 VanDerWaalsContact O-N 3.09Å; A580-M613 VanDerWaalsContact CA-SD 3.56Å; A580-M613 HydrophobicContact CB-CE 4.13Å; A580-M613 HydrophobicContact CB-SD 3.72Å; A580-T616 HydrophobicContact CB-CG2 3.73Å
581L88.7Confident91.9Very high63 Ų6336.3 Ų36.333%0.3318%0.179SC..Hα-helixtrans-66.5-27.9173.7-70.8171.9000113R534 D577 D578 T584 T616 Y620R534-L581 PolarHBondContact NH1-O 2.86Å; D577-L581 WeakPolarHBondContact O-CG 3.31Å; D577-L581 PolarHBondContact O-N 2.75Å; D578-L581 PolarHBondContact O-N 3.14Å; L581-T584 PolarHBondContact O-OG1 2.66Å; L581-T616 HydrophobicContact CD2-CG2 4.29Å; L581-Y620 HydrophobicContact CD2-CE2 4.15Å
582V93Very high92.3Very high2 Ų231.1 Ų31.11%0.01216%0.161CC..Hα-helixtrans-65.5-45169.6171.50000110L523 A529 L574 D578 G579 A580 T584 D585 I586L523-V582 HydrophobicContact CD2-CG1 3.92Å; A529-V582 HydrophobicContact CB-CB 4.43Å; A529-V582 HydrophobicContact CB-CG1 3.86Å; A529-V582 HydrophobicContact CB-CG2 3.58Å; L574-V582 HydrophobicContact CD1-CG2 4.23Å; D578-V582 VanDerWaalsContact O-CG2 3.32Å; D578-V582 WeakPolarHBondContact O-CG2 3.43Å; D578-V582 PolarHBondContact O-N 3.04Å; G579-V582 WeakPolarHBondContact O-CB 3.42Å; G579-V582 PolarHBondContact O-N 3.08Å; A580-V582 VanDerWaalsContact C-N 3.28Å; A580-V582 PolarHBondContact O-N 3.16Å; V582-T584 VanDerWaalsContact C-N 3.34Å; V582-T584 PolarHBondContact O-N 2.86Å; V582-D585 PolarHBondContact O-N 3.47Å; V582-I586 HydrophobicContact CG1-CD1 4.03Å; V582-I586 WeakPolarHBondContact O-CG1 3.21Å
583M97.4Very high92.6Very high1 Ų133 Ų331%0.00517%0.168CC..Hα-helixtrans-60.8-39.6-179.8-63.7-47-59.900112.4Y543 V545 G579 A580 D585 I586 L587 I594 M613 L617Y543-M583 HydrophobicContact CD1-CE 4.06Å; Y543-M583 HydrophobicContact CD2-CE 3.66Å; Y543-M583 HydrophobicContact CE1-CE 4.45Å; Y543-M583 HydrophobicContact CE2-CE 4.06Å; Y543-M583 HydrophobicContact CG-CE 3.65Å; V545-M583 HydrophobicContact CB-SD 3.9Å; V545-M583 HydrophobicContact CG1-CG 4.24Å; V545-M583 HydrophobicContact CG1-SD 4.04Å; V545-M583 HydrophobicContact CG2-CG 4.38Å; V545-M583 HydrophobicContact CG2-SD 3.81Å; G579-M583 WeakPolarHBondContact O-CG 3.4Å; G579-M583 PolarHBondContact O-N 3.37Å; G579-M583 VanDerWaalsContact O-N 3.13Å; A580-M583 WeakPolarHBondContact O-CB 3.14Å; A580-M583 PolarHBondContact O-N 2.76Å; A580-M583 VanDerWaalsContact O-N 3.11Å; M583-D585 PolarHBondContact O-N 2.92Å; M583-I586 HydrophobicContact CE-CD1 4.09Å; M583-I586 HydrophobicContact CE-CG1 4.18Å; M583-I586 PolarHBondContact O-N 3.08Å; M583-I586 HydrophobicContact SD-CD1 3.8Å; M583-I586 HydrophobicContact SD-CG1 4.27Å; M583-L587 HydrophobicContact CB-CD1 4.16Å; M583-L587 HydrophobicContact CB-CG 4.34Å; M583-L587 HydrophobicContact CE-CD2 3.52Å; M583-L587 HydrophobicContact CE-CG 3.93Å; M583-L587 WeakPolarHBondContact O-CG 3.34Å; M583-L587 PolarHBondContact O-N 2.89Å; M583-I594 HydrophobicContact CE-CD1 3.98Å; M583-I594 HydrophobicContact CE-CG1 4.09Å; M583-I594 HydrophobicContact CE-CG2 4.25Å; M583-M613 HydrophobicContact CB-SD 4.08Å; M583-M613 HydrophobicContact CG-CE 3.84Å; M583-M613 HydrophobicContact CG-SD 3.74Å; M583-L617 HydrophobicContact CB-CD2 3.86Å
584T93.3Very high92.8Very high19 Ų1932.1 Ų32.112%0.11716%0.164CC..Hα-helixtrans-56.8-27.1179.860.40000113.9A580 L581 V582 T616 L617 Y620 L622A580-T584 PolarHBondContact O-N 2.82Å; A580-T584 VanDerWaalsContact O-N 3.09Å; L581-T584 PolarHBondContact O-OG1 2.66Å; V582-T584 VanDerWaalsContact C-N 3.34Å; V582-T584 PolarHBondContact O-N 2.86Å; T584-T616 HydrophobicContact CG2-CG2 4.19Å; T584-L617 HydrophobicContact CG2-CD2 3.85Å; T584-Y620 HydrophobicContact CG2-CD1 3.97Å; T584-Y620 HydrophobicContact CG2-CD2 3.69Å; T584-Y620 HydrophobicContact CG2-CE1 4.36Å; T584-Y620 HydrophobicContact CG2-CE2 4.11Å; T584-Y620 HydrophobicContact CG2-CG 3.59Å; T584-L622 HydrophobicContact CG2-CD1 4.2Å
585D90.7Very high93.1Very high74 Ų7432.1 Ų32.140%0.39616%0.164SC..Hα-helixtrans-97.7-13.7-174.7-60.7-18.1000113.8R534 R538 V582 M583R534-D585 IonicContact CZ-OD2 2.65Å; R534-D585 VanDerWaalsContact NH1-CB 3.33Å; R534-D585 VanDerWaalsContact NH1-CG 3.31Å; R534-D585 IonicContact NH1-OD2 3.71Å; R534-D585 PolarHBondContact NH1-OD2 2.76Å; R534-D585 IonicContact NH2-OD2 3.93Å; R538-D585 PolarHBondContact NE-O 2.75Å; R538-D585 VanDerWaalsContact NE-O 3.09Å; R538-D585 PolarHBondContact NH2-O 2.8Å; V582-D585 PolarHBondContact O-N 3.47Å; M583-D585 PolarHBondContact O-N 2.92Å
586I95.7Very high93.4Very high1 Ų132.2 Ų32.21%0.00516%0.164CC..Hα-helixtrans-117.1-18.8-172.470.4174.6000113.8R534 I537 R538 D539 Y543 V582 M583R534-I586 HydrophobicContact CB-CG2 3.87Å; R534-I586 HydrophobicContact CG-CG2 4.02Å; I537-I586 HydrophobicContact CD1-CD1 3.52Å; I537-I586 HydrophobicContact CD1-CG2 4.33Å; I537-I586 HydrophobicContact CG1-CB 4.35Å; I537-I586 HydrophobicContact CG1-CD1 3.77Å; I537-I586 HydrophobicContact CG1-CG2 4.02Å; R538-I586 WeakPolarHBondContact CA-O 2.76Å; R538-I586 HydrophobicContact CB-CB 4.47Å; D539-I586 PolarHBondContact N-O 2.82Å; Y543-I586 HydrophobicContact CD1-CD1 4.07Å; Y543-I586 HydrophobicContact CE1-CD1 3.61Å; Y543-I586 HydrophobicContact CE1-CG1 4.23Å; Y543-I586 PolarHBondContact OH-O 3.3Å; Y543-I586 VanDerWaalsContact OH-O 3.08Å; V582-I586 HydrophobicContact CG1-CD1 4.03Å; V582-I586 WeakPolarHBondContact O-CG1 3.21Å; M583-I586 HydrophobicContact CE-CD1 4.09Å; M583-I586 HydrophobicContact CE-CG1 4.18Å; M583-I586 PolarHBondContact O-N 3.08Å; M583-I586 HydrophobicContact SD-CD1 3.8Å; M583-I586 HydrophobicContact SD-CG1 4.27Å
587L96Very high93.7Very high25 Ų2532.1 Ų32.113%0.13116%0.164CC..  trans-60.9144.6174.9-71.6173.4000110.7Y543 M583 T591 I594 L617 L622 F628Y543-L587 HydrophobicContact CD2-CD2 4.32Å; Y543-L587 HydrophobicContact CE2-CD2 3.97Å; M583-L587 HydrophobicContact CB-CD1 4.16Å; M583-L587 HydrophobicContact CB-CG 4.34Å; M583-L587 HydrophobicContact CE-CD2 3.52Å; M583-L587 HydrophobicContact CE-CG 3.93Å; M583-L587 WeakPolarHBondContact O-CG 3.34Å; M583-L587 PolarHBondContact O-N 2.89Å; L587-T591 HydrophobicContact CD2-CG2 3.41Å; L587-T591 VanDerWaalsContact CD2-CG2 3.41Å; L587-I594 HydrophobicContact CD1-CD1 3.97Å; L587-I594 HydrophobicContact CD2-CD1 3.86Å; L587-I594 HydrophobicContact CD2-CG1 4.27Å; L587-L617 HydrophobicContact CD1-CD1 3.99Å; L587-L617 HydrophobicContact CD1-CD2 3.69Å; L587-L617 HydrophobicContact CD1-CG 4.49Å; L587-L622 HydrophobicContact CD1-CD1 4.06Å; L587-F628 HydrophobicContact CD1-CE1 4.08Å; L587-F628 HydrophobicContact CD1-CE2 4.28Å; L587-F628 HydrophobicContact CD1-CZ 3.76Å
588G91.5Very high94Very high20 Ų2029.4 Ų29.421%0.20615%0.149CC..  trans-145.6-178.5177.400000111.3D539 R590 T591D539-G588 VanDerWaalsContact OD1-C 3.28Å; D539-G588 VanDerWaalsContact OD1-CA 3.22Å; D539-G588 WeakPolarHBondContact OD1-CA 3.27Å; G588-R590 PolarHBondContact O-N 3.28Å; G588-R590 VanDerWaalsContact O-N 3.1Å; G588-T591 PolarHBondContact N-OG1 3.32Å; G588-T591 PolarHBondContact O-N 3.41Å; G588-T591 PolarHBondContact O-OG1 3.12Å
589D90Very high94.4Very high138 Ų13827 Ų2774%0.73814%0.136SC*.THydrogen-bonded Turntrans-61.2-29-166.3-70.7-25.5000113.7D539 Q627D539-D589 PolarHBondContact OD1-N 3.49Å; D589-Q627 VanDerWaalsContact CA-NE2 3.34Å; D589-Q627 PolarHBondContact O-NE2 2.71Å; D589-Q627 VanDerWaalsContact O-NE2 3.16Å
590R91.3Very high94.2Very high93 Ų9327.4 Ų27.435%0.35114%0.139SC..THydrogen-bonded Turntrans-82.9-13.5-179.481.2-175.573.9-161.3-0.2113.9G517 D539 D541 G588 K592G517-R590 PolarHBondContact O-NH1 3.3Å; D539-R590 VanDerWaalsContact CG-NE 3.29Å; D539-R590 WeakPolarHBondContact O-CD 3.42Å; D539-R590 PolarHBondContact O-NE 2.73Å; D539-R590 WeakPolarHBondContact OD1-CG 3.2Å; D539-R590 IonicContact OD1-NE 2.66Å; D539-R590 PolarHBondContact OD1-NE 2.8Å; D539-R590 IonicContact OD2-CZ 3.63Å; D539-R590 VanDerWaalsContact OD2-CZ 3.23Å; D539-R590 IonicContact OD2-NE 3.43Å; D539-R590 PolarHBondContact OD2-NE 3.36Å; D539-R590 IonicContact OD2-NH2 2.85Å; D539-R590 PolarHBondContact OD2-NH2 2.82Å; D541-R590 WeakPolarHBondContact OD2-CD 3.42Å; G588-R590 PolarHBondContact O-N 3.28Å; G588-R590 VanDerWaalsContact O-N 3.1Å; R590-K592 WeakPolarHBondContact O-CG 3.01Å; R590-K592 PolarHBondContact O-N 3.45Å
591T94.9Very high94Very high0 Ų034.9 Ų34.90%017%0.171CC..  trans-65.2128.9-176.4-52.20000110.5A540 Y543 L587 G588 F628A540-T591 VanDerWaalsContact O-CA 3.27Å; A540-T591 WeakPolarHBondContact O-CA 3.29Å; A540-T591 WeakPolarHBondContact O-CB 3.33Å; A540-T591 PolarHBondContact O-OG1 2.89Å; Y543-T591 HydrophobicContact CD2-CG2 3.83Å; Y543-T591 HydrophobicContact CE2-CG2 3.69Å; L587-T591 HydrophobicContact CD2-CG2 3.41Å; L587-T591 VanDerWaalsContact CD2-CG2 3.41Å; G588-T591 PolarHBondContact N-OG1 3.32Å; G588-T591 PolarHBondContact O-N 3.41Å; G588-T591 PolarHBondContact O-OG1 3.12Å; T591-F628 WeakPolarHBondContact O-CB 3.42Å
592K94.5Very high93.8Very high63 Ų6337.6 Ų37.627%0.27418%0.182SC..  trans-120.1-30.2178.8-55.8-54176.9178.30113.8E349 D541 R590 F628 Q629E349-K592 WeakPolarHBondContact OE2-CE 3.32Å; E349-K592 IonicContact OE2-NZ 3.61Å; E349-K592 PolarHBondContact OE2-NZ 3.03Å; D541-K592 PolarHBondContact O-N 2.91Å; R590-K592 WeakPolarHBondContact O-CG 3.01Å; R590-K592 PolarHBondContact O-N 3.45Å; K592-F628 VanDerWaalsContact C-CB 3.46Å; K592-F628 CarbonylContact O-C 3.54Å; K592-F628 WeakPolarHBondContact O-CA 3.37Å; K592-F628 VanDerWaalsContact O-CB 3.28Å; K592-F628 WeakPolarHBondContact O-CB 3.35Å; K592-Q629 PolarHBondContact O-N 2.86Å
593R95.8Very high93.6Very high41 Ų4137.6 Ų37.616%0.15518%0.182CC..EExtended strand (participates in β ladder)trans-138136.5-177.1-59.5-161.7179.1-174.34113.7D541 A542 Y543 Y595 Q629 F631 Y642D541-R593 PolarHBondContact O-N 3.32Å; A542-R593 CarbonylContact C-O 3.59Å; A542-R593 WeakPolarHBondContact CA-O 3.25Å; A542-R593 HydrophobicContact CB-CB 3.94Å; A542-R593 WeakPolarHBondContact CB-O 3.42Å; Y543-R593 PolarHBondContact N-O 3.04Å; R593-Y595 HydrophobicContact CB-CE2 3.97Å; R593-Y595 WeakPolarHBondContact CD-OH 3.39Å; R593-Y595 PolarHBondContact NH1-OH 2.75Å; R593-Q629 WeakPolarHBondContact CA-O 3.38Å; R593-F631 HydrophobicContact CB-CD2 4.2Å; R593-F631 HydrophobicContact CB-CE2 4.15Å; R593-F631 VanDerWaalsContact CD-CE2 3.43Å; R593-F631 HydrophobicContact CG-CD2 4.22Å; R593-F631 HydrophobicContact CG-CE2 3.68Å; R593-Y642 HydrophobicContact CB-CE1 4.09Å; R593-Y642 HydrophobicContact CG-CD1 4.33Å; R593-Y642 HydrophobicContact CG-CE1 3.8Å; R593-Y642 HydrophobicContact CG-CE2 4.16Å; R593-Y642 VanDerWaalsContact CZ-CE2 3.46Å; R593-Y642 VanDerWaalsContact NH1-CD2 3.32Å
594I97.7Very high93.1Very high0 Ų038 Ų380%018%0.184CC..EExtended strand (participates in β ladder)trans-121.9117.8171.6-53173000107.6V545 M583 L587 L596 L617 F628 Q629 I630 F631V545-I594 HydrophobicContact CG1-CG2 3.76Å; M583-I594 HydrophobicContact CE-CD1 3.98Å; M583-I594 HydrophobicContact CE-CG1 4.09Å; M583-I594 HydrophobicContact CE-CG2 4.25Å; L587-I594 HydrophobicContact CD1-CD1 3.97Å; L587-I594 HydrophobicContact CD2-CD1 3.86Å; L587-I594 HydrophobicContact CD2-CG1 4.27Å; I594-L596 HydrophobicContact CG2-CD2 4.24Å; I594-L617 HydrophobicContact CD1-CD1 3.64Å; I594-F628 HydrophobicContact CD1-CD2 3.71Å; I594-F628 HydrophobicContact CD1-CE2 3.64Å; I594-F628 HydrophobicContact CD1-CZ 4.49Å; I594-F628 HydrophobicContact CG1-CD2 4.24Å; I594-Q629 PolarHBondContact N-O 2.74Å; I594-I630 CarbonylContact O-C 3.54Å; I594-I630 WeakPolarHBondContact O-CA 3.44Å; I594-F631 PolarHBondContact O-N 2.7Å
595Y98.1Very high92.6Very high3 Ų341.7 Ų41.71%0.01220%0.201CC..EExtended strand (participates in β ladder)trans-96.9127.2173.7-63.8-86.7000109.5I387 F520 Y543 L544 V545 R593 G597 F631 T633 T639 Y642I387-Y595 HydrophobicContact CD1-CD1 3.66Å; I387-Y595 HydrophobicContact CD1-CD2 3.82Å; I387-Y595 HydrophobicContact CD1-CE1 3.88Å; I387-Y595 HydrophobicContact CD1-CE2 4.03Å; I387-Y595 HydrophobicContact CD1-CG 3.64Å; I387-Y595 HydrophobicContact CG1-CD1 4.46Å; I387-Y595 HydrophobicContact CG1-CG 4.36Å; F520-Y595 HydrophobicContact CE2-CD2 4.32Å; Y543-Y595 WeakPolarHBondContact O-CD2 3.11Å; Y543-Y595 PolarHBondContact O-N 3.33Å; L544-Y595 WeakPolarHBondContact CA-O 3.22Å; V545-Y595 PolarHBondContact N-O 3.15Å; R593-Y595 HydrophobicContact CB-CE2 3.97Å; R593-Y595 WeakPolarHBondContact CD-OH 3.39Å; R593-Y595 PolarHBondContact NH1-OH 2.75Å; Y595-G597 PolarHBondContact O-N 3.43Å; Y595-F631 CarbonylContact C-O 3.59Å; Y595-F631 WeakPolarHBondContact CA-O 3.39Å; Y595-F631 HydrophobicContact CD1-CB 3.49Å; Y595-F631 VanDerWaalsContact CD1-CB 3.49Å; Y595-F631 HydrophobicContact CD1-CG 4.26Å; Y595-F631 HydrophobicContact CE1-CB 3.66Å; Y595-F631 HydrophobicContact CE1-CD2 4.32Å; Y595-F631 AromaticContact CE1-CG 3.93Å; Y595-F631 HydrophobicContact CE1-CG 3.93Å; Y595-F631 HydrophobicContact CG-CB 4.31Å; Y595-T633 HydrophobicContact CD1-CG2 4.46Å; Y595-T639 HydrophobicContact CD1-CG2 4.28Å; Y595-T639 HydrophobicContact CE1-CG2 4.31Å; Y595-Y642 HydrophobicContact CE2-CD1 4.37Å; Y595-Y642 VanDerWaalsContact OH-CB 3.24Å; Y595-Y642 WeakPolarHBondContact OH-CB 3.29Å
596L97.8Very high92.5Very high1 Ų141.1 Ų41.11%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-87.1109.8176.9-55-173.6000109.4V545 I594 L599 A609 H610 M613 I630 F631 T633V545-L596 HydrophobicContact CG1-CD2 4.03Å; I594-L596 HydrophobicContact CG2-CD2 4.24Å; L596-L599 HydrophobicContact CB-CD1 4.45Å; L596-L599 WeakPolarHBondContact O-CD1 3.27Å; L596-A609 VanDerWaalsContact CD1-C 3.46Å; L596-A609 HydrophobicContact CD1-CB 4.03Å; L596-A609 WeakPolarHBondContact CD1-O 3.39Å; L596-H610 VanDerWaalsContact CD1-CA 3.48Å; L596-H610 HydrophobicContact CD1-CB 4.25Å; L596-M613 HydrophobicContact CD1-CB 4.29Å; L596-M613 HydrophobicContact CD2-CB 4.15Å; L596-M613 HydrophobicContact CD2-CE 3.55Å; L596-M613 HydrophobicContact CD2-CG 4Å; L596-I630 HydrophobicContact CD1-CG2 3.75Å; L596-I630 HydrophobicContact CD2-CG2 4.11Å; L596-I630 HydrophobicContact CG-CG2 3.79Å; L596-F631 PolarHBondContact N-O 2.93Å; L596-T633 WeakPolarHBondContact O-CB 3.44Å; L596-T633 VanDerWaalsContact O-CG2 3.31Å; L596-T633 WeakPolarHBondContact O-CG2 3.41Å; L596-T633 PolarHBondContact O-N 3.49Å; L596-T633 PolarHBondContact O-OG1 3Å
597G96.6Very high91.9Very high0 Ų046.8 Ų46.80%022%0.222CC..EExtended strand (participates in β ladder)trans-112.6167.4-17300000113.7S390 V545 E546 S547 Y595 L599S390-G597 WeakPolarHBondContact OG-CA 3.37Å; V545-G597 PolarHBondContact O-N 2.79Å; E546-G597 WeakPolarHBondContact CA-O 3.2Å; S547-G597 PolarHBondContact N-O 3.16Å; Y595-G597 PolarHBondContact O-N 3.43Å; G597-L599 VanDerWaalsContact C-N 3.33Å; G597-L599 WeakPolarHBondContact O-CD1 3.34Å; G597-L599 PolarHBondContact O-N 2.9Å
598H95.4Very high91Very high2 Ų248.2 Ų48.21%0.00923%0.229CC..  trans64.332.3168.1-147.2-97.6000114.8S390 N395 D442 H443 T524 D525 E546 N548 H573S390-H598 PolarHBondContact OG-N 3.38Å; N395-H598 VanDerWaalsContact CG-CD2 3.48Å; N395-H598 PolarHBondContact ND2-CD2 3.18Å; N395-H598 PolarHBondContact ND2-NE2 2.59Å; N395-H598 PolarHBondContact OD1-CD2 3.07Å; D442-H598 IonicContact OD2-NE2 3.72Å; H443-H598 AromaticContact NE2-NE2 3.7Å; T524-H598 HydrophobicContact CG2-CB 4.02Å; D525-H598 IonicContact OD1-CD2 3.95Å; D525-H598 IonicContact OD1-CE1 3.93Å; D525-H598 PolarHBondContact OD1-CE1 3.34Å; D525-H598 IonicContact OD1-CG 2.92Å; D525-H598 IonicContact OD1-ND1 3.27Å; D525-H598 PolarHBondContact OD1-ND1 3.36Å; D525-H598 IonicContact OD1-NE2 3.39Å; D525-H598 PolarHBondContact OD1-NE2 3.04Å; D525-H598 IonicContact OD2-CD2 3.93Å; D525-H598 IonicContact OD2-CE1 2.71Å; D525-H598 IonicContact OD2-NE2 3.69Å; E546-H598 HydrophobicContact CB-CB 4.28Å; E546-H598 HydrophobicContact CG-CB 4.1Å; E546-H598 IonicContact OE1-CE1 3.18Å; E546-H598 IonicContact OE1-CG 2.83Å; E546-H598 IonicContact OE1-ND1 3.64Å; E546-H598 PolarHBondContact OE1-ND1 2.88Å; N548-H598 WeakPolarHBondContact CA-O 3.41Å; N548-H598 PolarHBondContact ND2-ND1 2.74Å; N548-H598 PolarHBondContact ND2-O 2.76Å; H573-H598 AromaticContact CE1-CE1 3.68Å; H573-H598 AromaticContact CE1-ND1 3.93Å; H573-H598 AromaticContact ND1-CE1 3.94Å; H573-H598 AromaticContact ND1-ND1 3.73Å
599L94.9Very high90.8Very high22 Ų2247.3 Ų47.312%0.11522%0.22CC..  trans-64.5137-178-77.667.5000112.1G391 S392 S547 L596 G597 K606 A609G391-L599 WeakPolarHBondContact CA-O 3.36Å; S392-L599 PolarHBondContact N-O 2.98Å; S547-L599 WeakPolarHBondContact O-CG 3.22Å; L596-L599 HydrophobicContact CB-CD1 4.45Å; L596-L599 WeakPolarHBondContact O-CD1 3.27Å; G597-L599 VanDerWaalsContact C-N 3.33Å; G597-L599 WeakPolarHBondContact O-CD1 3.34Å; G597-L599 PolarHBondContact O-N 2.9Å; L599-K606 HydrophobicContact CD2-CB 4.38Å; L599-K606 HydrophobicContact CD2-CG 3.83Å; L599-A609 HydrophobicContact CD2-CB 4.23Å
600S91.9Very high90.9Very high7 Ų742.7 Ų42.75%0.04919%0.194CC..  trans-69.8126.9168.1-170.70000109N548 E602 N603 N604N548-S600 WeakPolarHBondContact O-CA 3.2Å; N548-S600 WeakPolarHBondContact O-CB 3.21Å; N548-S600 PolarHBondContact O-N 2.99Å; S600-E602 VanDerWaalsContact C-N 3.26Å; S600-E602 PolarHBondContact O-N 3.04Å; S600-N603 PolarHBondContact OG-N 2.94Å; S600-N604 WeakPolarHBondContact O-CB 3.34Å; S600-N604 PolarHBondContact O-N 2.85Å
601K89.2Confident90.5Very high157 Ų15742.8 Ų42.868%0.68320%0.199SC*.SBendtrans-64.6-32.5177.2-175.6175.1-179.2174.20113.1S392S392-K601 PolarHBondContact OG-N 2.98Å
602E85.2Confident89.9Confident121 Ų12143.7 Ų43.757%0.56521%0.205SC*.SBendtrans-101.6-31.1-171.4-63-69.1157.300112.6Y559 S600Y559-E602 HydrophobicContact CE1-CB 4.13Å; Y559-E602 HydrophobicContact CE1-CG 4.07Å; S600-E602 VanDerWaalsContact C-N 3.26Å; S600-E602 PolarHBondContact O-N 3.04Å
603N87Confident89.9Confident1 Ų140.7 Ų40.71%0.00519%0.192CC..SBendtrans-11724.9-171.6-52.6-73.2000112.6H549 D550 M553 L554 Y559 S600H549-N603 WeakPolarHBondContact CA-O 3.19Å; H549-N603 HydrophobicContact CB-CB 4.17Å; H549-N603 WeakPolarHBondContact CB-O 3.45Å; D550-N603 PolarHBondContact N-O 2.85Å; M553-N603 HydrophobicContact CB-CB 4.37Å; M553-N603 PolarHBondContact O-OD1 3.23Å; L554-N603 WeakPolarHBondContact CA-OD1 3.38Å; L554-N603 HydrophobicContact CB-CB 4Å; L554-N603 HydrophobicContact CD1-CB 4.12Å; Y559-N603 VanDerWaalsContact CD2-ND2 3.3Å; Y559-N603 WeakPolarHBondContact CD2-ND2 3.48Å; Y559-N603 WeakPolarHBondContact CE2-ND2 3.49Å; S600-N603 PolarHBondContact OG-N 2.94Å
604N86.8Confident89.6Confident9 Ų941.6 Ų41.65%0.04820%0.198CC..  trans-152.7167.1173.1-147.2-8.7000111.4S547 N548 N576 S600S547-N604 PolarHBondContact O-ND2 3.27Å; N548-N604 WeakPolarHBondContact O-CB 3.49Å; N548-N604 PolarHBondContact O-ND2 2.86Å; N576-N604 PolarHBondContact ND2-OD1 2.95Å; N576-N604 PolarHBondContact OD1-ND2 2.77Å; S600-N604 WeakPolarHBondContact O-CB 3.34Å; S600-N604 PolarHBondContact O-N 2.85Å
605M83.8Confident88.8Confident97 Ų9746.5 Ų46.548%0.47822%0.221SC..  trans-134.7146.8167.2-62.4178.458.200108.1M553 E607 L608 A609M553-M605 HydrophobicContact CE-CG 4.01Å; M553-M605 HydrophobicContact SD-CG 4.07Å; M605-E607 VanDerWaalsContact C-N 3.26Å; M605-E607 PolarHBondContact O-N 2.78Å; M605-L608 HydrophobicContact CB-CB 4.26Å; M605-L608 HydrophobicContact CB-CD1 4.01Å; M605-L608 HydrophobicContact CB-CG 4.05Å; M605-L608 HydrophobicContact CG-CD1 4.15Å; M605-L608 PolarHBondContact O-N 2.76Å; M605-L608 VanDerWaalsContact O-N 3.14Å; M605-L608 HydrophobicContact SD-CD1 4.19Å; M605-A609 PolarHBondContact O-N 3.34Å
606K87.5Confident88.1Confident62 Ų6246.5 Ų46.527%0.2722%0.221SC..Hα-helixtrans-58.5-44-179.5-67.4-172.2-174.4-164.70111.2L599 L608 A609 H610 D632 T633 D634L599-K606 HydrophobicContact CD2-CB 4.38Å; L599-K606 HydrophobicContact CD2-CG 3.83Å; K606-L608 VanDerWaalsContact C-N 3.27Å; K606-L608 PolarHBondContact O-N 3.01Å; K606-A609 PolarHBondContact O-N 3.32Å; K606-H610 WeakPolarHBondContact O-CB 3.43Å; K606-H610 PolarHBondContact O-N 2.74Å; K606-D632 HydrophobicContact CD-CB 4.33Å; K606-T633 WeakPolarHBondContact CE-O 2.95Å; K606-T633 PolarHBondContact NZ-O 3.46Å; K606-D634 IonicContact NZ-OD2 3.39Å; K606-D634 PolarHBondContact NZ-OD2 3.32Å
607E83.7Confident87.8Confident120 Ų12046.5 Ų46.556%0.56122%0.221SC*.Hα-helixtrans-61.6-36.4-180-58.578.5-174.600111.6M605 M611M605-E607 VanDerWaalsContact C-N 3.26Å; M605-E607 PolarHBondContact O-N 2.78Å; E607-M611 WeakPolarHBondContact O-CB 3.37Å; E607-M611 PolarHBondContact O-N 2.76Å
608L78.5Confident87.3Confident55 Ų5550.1 Ų50.129%0.28824%0.243SC..Hα-helixtrans-70.7-47176.1-70.6175000111.3D550 M553 M605 K606 H610 M611 T612D550-L608 HydrophobicContact CB-CD1 4.38Å; M553-L608 HydrophobicContact CG-CD1 4.44Å; M553-L608 HydrophobicContact SD-CD1 3.51Å; M553-L608 VanDerWaalsContact SD-CD1 3.51Å; M605-L608 HydrophobicContact CB-CB 4.26Å; M605-L608 HydrophobicContact CB-CD1 4.01Å; M605-L608 HydrophobicContact CB-CG 4.05Å; M605-L608 HydrophobicContact CG-CD1 4.15Å; M605-L608 PolarHBondContact O-N 2.76Å; M605-L608 VanDerWaalsContact O-N 3.14Å; M605-L608 HydrophobicContact SD-CD1 4.19Å; K606-L608 VanDerWaalsContact C-N 3.27Å; K606-L608 PolarHBondContact O-N 3.01Å; L608-H610 VanDerWaalsContact C-N 3.3Å; L608-H610 PolarHBondContact O-N 2.92Å; L608-M611 PolarHBondContact O-N 3.29Å; L608-T612 WeakPolarHBondContact O-CB 3.27Å; L608-T612 PolarHBondContact O-N 2.75Å; L608-T612 PolarHBondContact O-OG1 2.82Å
609A86.8Confident86.7Confident1 Ų157.6 Ų57.61%0.00827%0.271CS..Hα-helixtrans-57.8-45.2176.700000111.6L596 L599 M605 K606 M613L596-A609 VanDerWaalsContact CD1-C 3.46Å; L596-A609 HydrophobicContact CD1-CB 4.03Å; L596-A609 WeakPolarHBondContact CD1-O 3.39Å; L599-A609 HydrophobicContact CD2-CB 4.23Å; M605-A609 PolarHBondContact O-N 3.34Å; K606-A609 PolarHBondContact O-N 3.32Å; A609-M613 WeakPolarHBondContact O-CB 3.44Å; A609-M613 PolarHBondContact O-N 3.06Å; A609-M613 VanDerWaalsContact O-N 3.1Å
610H91.6Very high86.3Confident42 Ų4262.4 Ų62.419%0.19429%0.289CS..Hα-helixtrans-60.3-53.1177.4-162.2107.6000112L596 K606 L608 T612 M613 E614 I630 D632L596-H610 VanDerWaalsContact CD1-CA 3.48Å; L596-H610 HydrophobicContact CD1-CB 4.25Å; K606-H610 WeakPolarHBondContact O-CB 3.43Å; K606-H610 PolarHBondContact O-N 2.74Å; L608-H610 VanDerWaalsContact C-N 3.3Å; L608-H610 PolarHBondContact O-N 2.92Å; H610-T612 PolarHBondContact O-N 2.81Å; H610-M613 PolarHBondContact O-N 2.69Å; H610-E614 IonicContact CD2-OE2 3.46Å; H610-E614 WeakPolarHBondContact O-CB 3.21Å; H610-E614 PolarHBondContact O-N 2.71Å; H610-I630 PolarHBondContact CE1-O 2.87Å; H610-D632 IonicContact CE1-OD1 3.01Å; H610-D632 IonicContact CG-OD1 4Å; H610-D632 IonicContact ND1-OD1 3.21Å; H610-D632 PolarHBondContact ND1-OD1 3.08Å; H610-D632 IonicContact ND1-OD2 3.43Å
611M83.4Confident86Confident94 Ų9469.5 Ų69.546%0.46333%0.326SS..Hα-helixtrans-61.1-45.2-178.6-174.6-179.6-60.900111.6E607 L608 M613 E614 E615E607-M611 WeakPolarHBondContact O-CB 3.37Å; E607-M611 PolarHBondContact O-N 2.76Å; L608-M611 PolarHBondContact O-N 3.29Å; M611-M613 VanDerWaalsContact C-N 3.33Å; M611-M613 PolarHBondContact O-N 2.76Å; M611-E614 PolarHBondContact O-N 3Å; M611-E615 HydrophobicContact CG-CG 4.18Å; M611-E615 VanDerWaalsContact O-CB 3.29Å; M611-E615 WeakPolarHBondContact O-CB 3.38Å; M611-E615 VanDerWaalsContact O-CG 3.29Å; M611-E615 WeakPolarHBondContact O-CG 3.38Å; M611-E615 PolarHBondContact O-N 2.83Å
612T81.7Confident85.9Confident20 Ų2064.3 Ų64.312%0.12331%0.306CS..Hα-helixtrans-60.9-42.6177.9-59.70000111.8N576 D577 L608 H610 T616N576-T612 HydrophobicContact CB-CG2 3.71Å; D577-T612 HydrophobicContact CB-CG2 4.49Å; L608-T612 WeakPolarHBondContact O-CB 3.27Å; L608-T612 PolarHBondContact O-N 2.75Å; L608-T612 PolarHBondContact O-OG1 2.82Å; H610-T612 PolarHBondContact O-N 2.81Å; T612-T616 WeakPolarHBondContact O-CB 3.21Å; T612-T616 PolarHBondContact O-N 3.4Å; T612-T616 VanDerWaalsContact O-N 3.1Å; T612-T616 PolarHBondContact O-OG1 3.29Å
613M93.9Very high85.8Confident0 Ų059.5 Ų59.50%029%0.289CS..Hα-helixtrans-64.2-52.5176.6-176.367.566.900111V545 A580 M583 L596 A609 H610 M611 T616 L617 I630V545-M613 HydrophobicContact CG1-CE 3.72Å; A580-M613 VanDerWaalsContact CA-SD 3.56Å; A580-M613 HydrophobicContact CB-CE 4.13Å; A580-M613 HydrophobicContact CB-SD 3.72Å; M583-M613 HydrophobicContact CB-SD 4.08Å; M583-M613 HydrophobicContact CG-CE 3.84Å; M583-M613 HydrophobicContact CG-SD 3.74Å; L596-M613 HydrophobicContact CD1-CB 4.29Å; L596-M613 HydrophobicContact CD2-CB 4.15Å; L596-M613 HydrophobicContact CD2-CE 3.55Å; L596-M613 HydrophobicContact CD2-CG 4Å; A609-M613 WeakPolarHBondContact O-CB 3.44Å; A609-M613 PolarHBondContact O-N 3.06Å; A609-M613 VanDerWaalsContact O-N 3.1Å; H610-M613 PolarHBondContact O-N 2.69Å; M611-M613 VanDerWaalsContact C-N 3.33Å; M611-M613 PolarHBondContact O-N 2.76Å; M613-T616 PolarHBondContact O-N 2.96Å; M613-L617 HydrophobicContact CG-CD1 3.88Å; M613-L617 HydrophobicContact CG-CG 4.42Å; M613-L617 WeakPolarHBondContact O-CB 3.23Å; M613-L617 VanDerWaalsContact O-CG 3.23Å; M613-L617 WeakPolarHBondContact O-CG 3.48Å; M613-L617 PolarHBondContact O-N 2.97Å; M613-L617 HydrophobicContact SD-CD1 3.77Å; M613-L617 HydrophobicContact SD-CG 4.07Å; M613-I630 HydrophobicContact CB-CD1 4.1Å; M613-I630 HydrophobicContact CG-CD1 3.64Å; M613-I630 HydrophobicContact CG-CG1 4.12Å; M613-I630 HydrophobicContact CG-CG2 4.31Å
614E91.1Very high85.8Confident59 Ų5959.8 Ų59.828%0.27629%0.29SS..Hα-helixtrans-57.3-54.2-179.6178.6167.6-14400111.3H610 M611 T616 L617 T618 V624 N625 I630H610-E614 IonicContact CD2-OE2 3.46Å; H610-E614 WeakPolarHBondContact O-CB 3.21Å; H610-E614 PolarHBondContact O-N 2.71Å; M611-E614 PolarHBondContact O-N 3Å; E614-T616 VanDerWaalsContact C-N 3.33Å; E614-T616 PolarHBondContact O-N 2.78Å; E614-L617 PolarHBondContact O-N 3.1Å; E614-T618 WeakPolarHBondContact O-CB 3.19Å; E614-T618 PolarHBondContact O-N 2.94Å; E614-T618 PolarHBondContact O-OG1 2.93Å; E614-V624 HydrophobicContact CG-CG1 4.04Å; E614-N625 PolarHBondContact OE1-ND2 2.93Å; E614-I630 HydrophobicContact CB-CD1 3.79Å
615E80.7Confident85.8Confident103 Ų10363.5 Ų63.548%0.48131%0.31SS..Hα-helixtrans-61.7-39.9-178.2-72.9-175.4174.100112.7M611 R619M611-E615 HydrophobicContact CG-CG 4.18Å; M611-E615 VanDerWaalsContact O-CB 3.29Å; M611-E615 WeakPolarHBondContact O-CB 3.38Å; M611-E615 VanDerWaalsContact O-CG 3.29Å; M611-E615 WeakPolarHBondContact O-CG 3.38Å; M611-E615 PolarHBondContact O-N 2.83Å; E615-R619 WeakPolarHBondContact O-CB 3.4Å; E615-R619 PolarHBondContact O-N 3.12Å
616T83.5Confident85.8Confident4 Ų467.4 Ų67.43%0.02533%0.327CS..Hα-helixtrans-67.8-46.6179.3-60.90000110.5A580 L581 T584 T612 M613 E614 R619 Y620A580-T616 HydrophobicContact CB-CG2 3.73Å; L581-T616 HydrophobicContact CD2-CG2 4.29Å; T584-T616 HydrophobicContact CG2-CG2 4.19Å; T612-T616 WeakPolarHBondContact O-CB 3.21Å; T612-T616 PolarHBondContact O-N 3.4Å; T612-T616 VanDerWaalsContact O-N 3.1Å; T612-T616 PolarHBondContact O-OG1 3.29Å; M613-T616 PolarHBondContact O-N 2.96Å; E614-T616 VanDerWaalsContact C-N 3.33Å; E614-T616 PolarHBondContact O-N 2.78Å; T616-R619 WeakPolarHBondContact O-CB 3.49Å; T616-R619 PolarHBondContact O-N 2.75Å; T616-Y620 HydrophobicContact CG2-CD2 4.37Å; T616-Y620 HydrophobicContact CG2-CE2 4.36Å; T616-Y620 VanDerWaalsContact O-CD2 3.3Å; T616-Y620 WeakPolarHBondContact O-CD2 3.49Å; T616-Y620 PolarHBondContact O-N 3.48Å
617L90.3Very high85.8Confident0 Ų067.9 Ų67.90%033%0.33CS..Hα-helixtrans-65.1-42.3178.7-66.4-178.1000111.7M583 T584 L587 I594 M613 E614 R619 Y620 D621 L622 V624 F628 I630M583-L617 HydrophobicContact CB-CD2 3.86Å; T584-L617 HydrophobicContact CG2-CD2 3.85Å; L587-L617 HydrophobicContact CD1-CD1 3.99Å; L587-L617 HydrophobicContact CD1-CD2 3.69Å; L587-L617 HydrophobicContact CD1-CG 4.49Å; I594-L617 HydrophobicContact CD1-CD1 3.64Å; M613-L617 HydrophobicContact CG-CD1 3.88Å; M613-L617 HydrophobicContact CG-CG 4.42Å; M613-L617 WeakPolarHBondContact O-CB 3.23Å; M613-L617 VanDerWaalsContact O-CG 3.23Å; M613-L617 WeakPolarHBondContact O-CG 3.48Å; M613-L617 PolarHBondContact O-N 2.97Å; M613-L617 HydrophobicContact SD-CD1 3.77Å; M613-L617 HydrophobicContact SD-CG 4.07Å; E614-L617 PolarHBondContact O-N 3.1Å; L617-R619 VanDerWaalsContact C-N 3.3Å; L617-R619 PolarHBondContact O-N 2.66Å; L617-Y620 CarbonylContact O-C 3.57Å; L617-Y620 PolarHBondContact O-N 2.89Å; L617-Y620 VanDerWaalsContact O-N 3.15Å; L617-D621 PolarHBondContact O-N 3.47Å; L617-L622 HydrophobicContact CB-CB 4.34Å; L617-L622 HydrophobicContact CB-CD1 4.47Å; L617-L622 HydrophobicContact CD2-CD1 3.64Å; L617-L622 WeakPolarHBondContact O-CB 3.25Å; L617-L622 PolarHBondContact O-N 3.14Å; L617-V624 HydrophobicContact CB-CG2 3.36Å; L617-V624 HydrophobicContact CD1-CG2 4.21Å; L617-V624 HydrophobicContact CG-CG2 4.43Å; L617-F628 HydrophobicContact CB-CZ 4.47Å; L617-F628 HydrophobicContact CD1-CE2 3.59Å; L617-F628 HydrophobicContact CD1-CZ 3.88Å; L617-I630 HydrophobicContact CD1-CD1 4.36Å
618T85.7Confident86.2Confident76 Ų7662.4 Ų62.447%0.46631%0.305SS..Hα-helixtrans-60.6-38.8173.1-60.70000112E614 Y620 D621E614-T618 WeakPolarHBondContact O-CB 3.19Å; E614-T618 PolarHBondContact O-N 2.94Å; E614-T618 PolarHBondContact O-OG1 2.93Å; T618-Y620 PolarHBondContact O-N 2.71Å; T618-D621 PolarHBondContact O-N 3.28Å
619R83Confident87Confident159 Ų15964.6 Ų64.660%0.631%0.313SS*.Hα-helixtrans-63.8-27.3177.3-174.2-171.6-54.9151.55.3113.2E615 T616 L617 D621E615-R619 WeakPolarHBondContact O-CB 3.4Å; E615-R619 PolarHBondContact O-N 3.12Å; T616-R619 WeakPolarHBondContact O-CB 3.49Å; T616-R619 PolarHBondContact O-N 2.75Å; L617-R619 VanDerWaalsContact C-N 3.3Å; L617-R619 PolarHBondContact O-N 2.66Å; R619-D621 VanDerWaalsContact C-N 3.27Å
620Y86.6Confident87.4Confident123 Ų12365 Ų6548%0.48232%0.316SS..THydrogen-bonded Turntrans-91.616.4175-81.4-105.9000112.4L581 T584 T616 L617 T618 L622L581-Y620 HydrophobicContact CD2-CE2 4.15Å; T584-Y620 HydrophobicContact CG2-CD1 3.97Å; T584-Y620 HydrophobicContact CG2-CD2 3.69Å; T584-Y620 HydrophobicContact CG2-CE1 4.36Å; T584-Y620 HydrophobicContact CG2-CE2 4.11Å; T584-Y620 HydrophobicContact CG2-CG 3.59Å; T616-Y620 HydrophobicContact CG2-CD2 4.37Å; T616-Y620 HydrophobicContact CG2-CE2 4.36Å; T616-Y620 VanDerWaalsContact O-CD2 3.3Å; T616-Y620 WeakPolarHBondContact O-CD2 3.49Å; T616-Y620 PolarHBondContact O-N 3.48Å; L617-Y620 CarbonylContact O-C 3.57Å; L617-Y620 PolarHBondContact O-N 2.89Å; L617-Y620 VanDerWaalsContact O-N 3.15Å; T618-Y620 PolarHBondContact O-N 2.71Å; Y620-L622 PolarHBondContact O-N 3.16Å
621D86.2Confident87.6Confident157 Ų15765.6 Ų65.684%0.8432%0.317SS*.THydrogen-bonded Turntrans56.930-179.6-63.3-50000113.6L617 T618 R619L617-D621 PolarHBondContact O-N 3.47Å; T618-D621 PolarHBondContact O-N 3.28Å; R619-D621 VanDerWaalsContact C-N 3.27Å
622L87.9Confident88.1Confident47 Ų4764.3 Ų64.325%0.24631%0.312CS..  trans-86.8141.6174.8-62.1166.6000110.1T584 L587 L617 Y620 V624 F628T584-L622 HydrophobicContact CG2-CD1 4.2Å; L587-L622 HydrophobicContact CD1-CD1 4.06Å; L617-L622 HydrophobicContact CB-CB 4.34Å; L617-L622 HydrophobicContact CB-CD1 4.47Å; L617-L622 HydrophobicContact CD2-CD1 3.64Å; L617-L622 WeakPolarHBondContact O-CB 3.25Å; L617-L622 PolarHBondContact O-N 3.14Å; Y620-L622 PolarHBondContact O-N 3.16Å; L622-V624 PolarHBondContact O-N 3.44Å; L622-F628 HydrophobicContact CB-CE1 4.24Å; L622-F628 HydrophobicContact CB-CZ 4.07Å
623G82.9Confident88.7Confident20 Ų2063.5 Ų63.521%0.20631%0.308CS..  trans-73.552.7-170.800000115.6N625 H626 Q627 F628G623-N625 PolarHBondContact O-N 2.98Å; G623-H626 PolarHBondContact O-N 2.82Å; G623-H626 VanDerWaalsContact O-N 3.09Å; G623-Q627 WeakPolarHBondContact O-CB 3.47Å; G623-Q627 PolarHBondContact O-N 2.82Å; G623-F628 PolarHBondContact O-N 3.27Å
624V85.5Confident88.7Confident7 Ų765.4 Ų65.44%0.04232%0.318CS..BIsolated β-bridgetrans-57.1137.6173.2-167.70000109.6E614 L617 L622 H626 F628 I630E614-V624 HydrophobicContact CG-CG1 4.04Å; L617-V624 HydrophobicContact CB-CG2 3.36Å; L617-V624 HydrophobicContact CD1-CG2 4.21Å; L617-V624 HydrophobicContact CG-CG2 4.43Å; L622-V624 PolarHBondContact O-N 3.44Å; V624-H626 PolarHBondContact O-CD2 2.85Å; V624-H626 VanDerWaalsContact O-CD2 3.32Å; V624-H626 PolarHBondContact O-N 2.87Å; V624-F628 HydrophobicContact CB-CE2 4.22Å; V624-F628 HydrophobicContact CB-CZ 4.46Å; V624-F628 HydrophobicContact CG1-CE2 4.38Å; V624-F628 HydrophobicContact CG2-CE2 3.74Å; V624-F628 HydrophobicContact CG2-CZ 3.77Å; V624-I630 HydrophobicContact CG1-CD1 3.67Å; V624-I630 HydrophobicContact CG1-CG1 4.21Å
625N87.1Confident88.7Confident88 Ų8864.3 Ų64.347%0.47132%0.316SS..THydrogen-bonded Turntrans62.73.1-175.8-54.9-42.5000115.6E614 G623 F628E614-N625 PolarHBondContact OE1-ND2 2.93Å; G623-N625 PolarHBondContact O-N 2.98Å; N625-F628 PolarHBondContact N-O 2.61Å
626H85.3Confident89.2Confident178 Ų17863.8 Ų63.882%0.82432%0.316SS*.THydrogen-bonded Turntrans-119-49.2177.9-66.3-63.2000112.3G623 V624G623-H626 PolarHBondContact O-N 2.82Å; G623-H626 VanDerWaalsContact O-N 3.09Å; V624-H626 PolarHBondContact O-CD2 2.85Å; V624-H626 VanDerWaalsContact O-CD2 3.32Å; V624-H626 PolarHBondContact O-N 2.87Å
627Q85.8Confident89.5Confident72 Ų7266.3 Ų66.334%0.33633%0.334SS..THydrogen-bonded Turntrans-102.1-38.4-179.8-177173.4500111.8D589 G623D589-Q627 VanDerWaalsContact CA-NE2 3.34Å; D589-Q627 PolarHBondContact O-NE2 2.71Å; D589-Q627 VanDerWaalsContact O-NE2 3.16Å; G623-Q627 WeakPolarHBondContact O-CB 3.47Å; G623-Q627 PolarHBondContact O-N 2.82Å
628F93.5Very high89.6Confident6 Ų667.5 Ų67.53%0.02634%0.344CS..BIsolated β-bridgetrans-142.3163177.457.9-93.5000111.2L587 T591 K592 I594 L617 L622 G623 V624 N625L587-F628 HydrophobicContact CD1-CE1 4.08Å; L587-F628 HydrophobicContact CD1-CE2 4.28Å; L587-F628 HydrophobicContact CD1-CZ 3.76Å; T591-F628 WeakPolarHBondContact O-CB 3.42Å; K592-F628 VanDerWaalsContact C-CB 3.46Å; K592-F628 CarbonylContact O-C 3.54Å; K592-F628 WeakPolarHBondContact O-CA 3.37Å; K592-F628 VanDerWaalsContact O-CB 3.28Å; K592-F628 WeakPolarHBondContact O-CB 3.35Å; I594-F628 HydrophobicContact CD1-CD2 3.71Å; I594-F628 HydrophobicContact CD1-CE2 3.64Å; I594-F628 HydrophobicContact CD1-CZ 4.49Å; I594-F628 HydrophobicContact CG1-CD2 4.24Å; L617-F628 HydrophobicContact CB-CZ 4.47Å; L617-F628 HydrophobicContact CD1-CE2 3.59Å; L617-F628 HydrophobicContact CD1-CZ 3.88Å; L622-F628 HydrophobicContact CB-CE1 4.24Å; L622-F628 HydrophobicContact CB-CZ 4.07Å; G623-F628 PolarHBondContact O-N 3.27Å; V624-F628 HydrophobicContact CB-CE2 4.22Å; V624-F628 HydrophobicContact CB-CZ 4.46Å; V624-F628 HydrophobicContact CG1-CE2 4.38Å; V624-F628 HydrophobicContact CG2-CE2 3.74Å; V624-F628 HydrophobicContact CG2-CZ 3.77Å; N625-F628 PolarHBondContact N-O 2.61Å
629Q93.7Very high90Very high100 Ų10064.9 Ų64.947%0.46733%0.328SS..EExtended strand (participates in β ladder)trans-120148.8178.1-73.1177.6-1100111.1K592 R593 I594 F631K592-Q629 PolarHBondContact O-N 2.86Å; R593-Q629 WeakPolarHBondContact CA-O 3.38Å; I594-Q629 PolarHBondContact N-O 2.74Å; Q629-F631 HydrophobicContact CB-CD2 4.23Å; Q629-F631 HydrophobicContact CB-CE2 3.5Å; Q629-F631 VanDerWaalsContact CB-CE2 3.5Å; Q629-F631 HydrophobicContact CB-CZ 4.03Å; Q629-F631 VanDerWaalsContact OE1-CZ 3.29Å
630I95.4Very high90.3Very high11 Ų1164.6 Ų64.66%0.05633%0.333CS..EExtended strand (participates in β ladder)trans-98.3134.9174.3-59.2163.7000107.8I594 L596 H610 M613 E614 L617 V624I594-I630 CarbonylContact O-C 3.54Å; I594-I630 WeakPolarHBondContact O-CA 3.44Å; L596-I630 HydrophobicContact CD1-CG2 3.75Å; L596-I630 HydrophobicContact CD2-CG2 4.11Å; L596-I630 HydrophobicContact CG-CG2 3.79Å; H610-I630 PolarHBondContact CE1-O 2.87Å; M613-I630 HydrophobicContact CB-CD1 4.1Å; M613-I630 HydrophobicContact CG-CD1 3.64Å; M613-I630 HydrophobicContact CG-CG1 4.12Å; M613-I630 HydrophobicContact CG-CG2 4.31Å; E614-I630 HydrophobicContact CB-CD1 3.79Å; L617-I630 HydrophobicContact CD1-CD1 4.36Å; V624-I630 HydrophobicContact CG1-CD1 3.67Å; V624-I630 HydrophobicContact CG1-CG1 4.21Å
631F95.9Very high90.4Very high53 Ų5361.9 Ų61.923%0.23233%0.327CS..EExtended strand (participates in β ladder)trans-126.6137.1-178.3-71.3-91.6000110.7R593 I594 Y595 L596 Q629R593-F631 HydrophobicContact CB-CD2 4.2Å; R593-F631 HydrophobicContact CB-CE2 4.15Å; R593-F631 VanDerWaalsContact CD-CE2 3.43Å; R593-F631 HydrophobicContact CG-CD2 4.22Å; R593-F631 HydrophobicContact CG-CE2 3.68Å; I594-F631 PolarHBondContact O-N 2.7Å; Y595-F631 CarbonylContact C-O 3.59Å; Y595-F631 WeakPolarHBondContact CA-O 3.39Å; Y595-F631 HydrophobicContact CD1-CB 3.49Å; Y595-F631 VanDerWaalsContact CD1-CB 3.49Å; Y595-F631 HydrophobicContact CD1-CG 4.26Å; Y595-F631 HydrophobicContact CE1-CB 3.66Å; Y595-F631 HydrophobicContact CE1-CD2 4.32Å; Y595-F631 AromaticContact CE1-CG 3.93Å; Y595-F631 HydrophobicContact CE1-CG 3.93Å; Y595-F631 HydrophobicContact CG-CB 4.31Å; L596-F631 PolarHBondContact N-O 2.93Å; Q629-F631 HydrophobicContact CB-CD2 4.23Å; Q629-F631 HydrophobicContact CB-CE2 3.5Å; Q629-F631 VanDerWaalsContact CB-CE2 3.5Å; Q629-F631 HydrophobicContact CB-CZ 4.03Å; Q629-F631 VanDerWaalsContact OE1-CZ 3.29Å
632D94Very high90.7Very high67 Ų6755.5 Ų55.536%0.35829%0.291SS..EExtended strand (participates in β ladder)trans-86.5143.2175.4-55.3-28.2000110.5K606 H610K606-D632 HydrophobicContact CD-CB 4.33Å; H610-D632 IonicContact CE1-OD1 3.01Å; H610-D632 IonicContact CG-OD1 4Å; H610-D632 IonicContact ND1-OD1 3.21Å; H610-D632 PolarHBondContact ND1-OD1 3.08Å; H610-D632 IonicContact ND1-OD2 3.43Å
633T95.4Very high90.6Very high4 Ų454.8 Ų54.83%0.02529%0.292CS..  trans-101.7170.8171.566.20000110.9I387 S390 L544 Y595 L596 K606 T639I387-T633 HydrophobicContact CB-CG2 4.2Å; I387-T633 HydrophobicContact CG1-CG2 4.24Å; I387-T633 HydrophobicContact CG2-CG2 3.81Å; S390-T633 WeakPolarHBondContact CB-OG1 3.36Å; L544-T633 HydrophobicContact CD1-CG2 4.08Å; Y595-T633 HydrophobicContact CD1-CG2 4.46Å; L596-T633 WeakPolarHBondContact O-CB 3.44Å; L596-T633 VanDerWaalsContact O-CG2 3.31Å; L596-T633 WeakPolarHBondContact O-CG2 3.41Å; L596-T633 PolarHBondContact O-N 3.49Å; L596-T633 PolarHBondContact O-OG1 3Å; K606-T633 WeakPolarHBondContact CE-O 2.95Å; K606-T633 PolarHBondContact NZ-O 3.46Å; T633-T639 HydrophobicContact CG2-CG2 4.33Å
634D92.9Very high90.7Very high40 Ų4054.9 Ų54.921%0.21429%0.288CS..  trans-136.8144.5179.2-166.2-87.1000110.5A389 S390 K606 D636 S637A389-D634 VanDerWaalsContact CA-O 3.31Å; A389-D634 WeakPolarHBondContact CA-O 3.34Å; S390-D634 PolarHBondContact N-O 3.34Å; S390-D634 CarbonylContact O-C 3.59Å; K606-D634 IonicContact NZ-OD2 3.39Å; K606-D634 PolarHBondContact NZ-OD2 3.32Å; D634-D636 PolarHBondContact O-N 3.26Å; D634-D636 VanDerWaalsContact OD1-CA 3.3Å; D634-D636 WeakPolarHBondContact OD1-CA 3.43Å; D634-D636 WeakPolarHBondContact OD1-CB 3.42Å; D634-D636 PolarHBondContact OD1-N 3.43Å; D634-S637 PolarHBondContact OD1-N 3.33Å; D634-S637 PolarHBondContact OD1-OG 3.2Å
635P91.4Very high91Very high36 Ų3657.3 Ų57.323%0.23430%0.3CS..SBendtrans-72.2-18.8176.128.1-35.9000113.4A389 S390A389-P635 WeakPolarHBondContact CB-O 3.33Å; S390-P635 WeakPolarHBondContact O-CA 3.3Å
636D90.4Very high91.2Very high92 Ų9255.7 Ų55.749%0.49229%0.291SS..SBendtrans-123.2-7.2-170.6-72.6-54.5000114.1K416 D634K416-D636 WeakPolarHBondContact CE-O 3.48Å; K416-D636 PolarHBondContact NZ-O 3Å; D634-D636 PolarHBondContact O-N 3.26Å; D634-D636 VanDerWaalsContact OD1-CA 3.3Å; D634-D636 WeakPolarHBondContact OD1-CA 3.43Å; D634-D636 WeakPolarHBondContact OD1-CB 3.42Å; D634-D636 PolarHBondContact OD1-N 3.43Å
637S91.4Very high91.5Very high57 Ų5748.9 Ų48.940%0.39926%0.261SS..SBendtrans-133.6136.1-176.8-45.20000111.5L388 D634L388-S637 CarbonylContact O-C 3.59Å; D634-S637 PolarHBondContact OD1-N 3.33Å; D634-S637 PolarHBondContact OD1-OG 3.2Å
638A92.6Very high91.8Very high24 Ų2447.5 Ų47.520%0.19826%0.257CS..  trans-72.4145.7176.500000111.1I387 L388 L420 V424I387-A638 WeakPolarHBondContact O-CA 3.39Å; L388-A638 HydrophobicContact CD2-CB 4.33Å; L420-A638 HydrophobicContact CD2-CB 4.39Å; V424-A638 HydrophobicContact CG1-CB 4.09Å
639T93.2Very high91.7Very high22 Ų2250.1 Ų50.114%0.13527%0.271CS..  trans-66.9174166.862.40000110.4N386 I387 Y595 T633N386-T639 PolarHBondContact ND2-O 3Å; N386-T639 PolarHBondContact ND2-OG1 2.86Å; I387-T639 HydrophobicContact CB-CG2 3.87Å; I387-T639 HydrophobicContact CD1-CG2 4.4Å; I387-T639 PolarHBondContact N-OG1 3.1Å; I387-T639 VanDerWaalsContact N-OG1 3.08Å; I387-T639 PolarHBondContact O-N 3.35Å; Y595-T639 HydrophobicContact CD1-CG2 4.28Å; Y595-T639 HydrophobicContact CE1-CG2 4.31Å; T633-T639 HydrophobicContact CG2-CG2 4.33Å
640E89.5Confident91.6Very high153 Ų15346.8 Ų46.872%0.71526%0.258SS*.  trans-65.7158.3165.6-64-175.3168.600110.8N386 Y642N386-E640 PolarHBondContact ND2-O 3.3Å; N386-E640 VanDerWaalsContact ND2-O 3.09Å; E640-Y642 PolarHBondContact O-N 2.93Å
641L89.6Confident91.3Very high65 Ų6549.4 Ų49.434%0.3427%0.272SS..  trans-69.3126.4169.5-71.1166.8000108.2I384 N386 V424I384-L641 HydrophobicContact CG2-CB 4.06Å; I384-L641 HydrophobicContact CG2-CD2 3.45Å; I384-L641 VanDerWaalsContact CG2-CD2 3.45Å; I384-L641 HydrophobicContact CG2-CG 4.26Å; N386-L641 HydrophobicContact CB-CD2 3.75Å; V424-L641 HydrophobicContact CB-CD1 4.29Å; V424-L641 HydrophobicContact CB-CD2 4.34Å; V424-L641 HydrophobicContact CB-CG 4.17Å; V424-L641 HydrophobicContact CG2-CD2 4.46Å
642Y91Very high91Very high23 Ų2349.1 Ų49.19%0.0928%0.276CS..EExtended strand (participates in β ladder)trans-115.6123.6175.5176.4-129.2000110.4I384 I385 A542 R593 Y595 E640 I644I384-Y642 CarbonylContact C-O 3.57Å; I384-Y642 WeakPolarHBondContact CA-O 3.11Å; I385-Y642 PolarHBondContact N-O 3.37Å; I385-Y642 PolarHBondContact O-N 3.26Å; A542-Y642 HydrophobicContact CB-CD1 4.39Å; A542-Y642 HydrophobicContact CB-CE1 3.82Å; R593-Y642 HydrophobicContact CB-CE1 4.09Å; R593-Y642 HydrophobicContact CG-CD1 4.33Å; R593-Y642 HydrophobicContact CG-CE1 3.8Å; R593-Y642 HydrophobicContact CG-CE2 4.16Å; R593-Y642 VanDerWaalsContact CZ-CE2 3.46Å; R593-Y642 VanDerWaalsContact NH1-CD2 3.32Å; Y595-Y642 HydrophobicContact CE2-CD1 4.37Å; Y595-Y642 VanDerWaalsContact OH-CB 3.24Å; Y595-Y642 WeakPolarHBondContact OH-CB 3.29Å; E640-Y642 PolarHBondContact O-N 2.93Å; Y642-I644 HydrophobicContact CD1-CD1 4.49Å; Y642-I644 HydrophobicContact CD1-CG1 3.96Å; Y642-I644 HydrophobicContact CE1-CD1 4.01Å; Y642-I644 HydrophobicContact CE1-CG1 3.5Å
643A87.2Confident90.7Very high32 Ų3247.6 Ų47.626%0.26427%0.269SS..EExtended strand (participates in β ladder)trans-95.5132.5174.100000110.7E382 Q383E382-A643 HydrophobicContact CB-CB 3.76Å; E382-A643 HydrophobicContact CG-CB 3.6Å; E382-A643 WeakPolarHBondContact OE2-CB 3.4Å; Q383-A643 WeakPolarHBondContact O-CA 3.32Å
644I84.3Confident90.3Very high23 Ų2351.5 Ų51.512%0.11829%0.291CS..  trans-104.40168.4-47.1-175000109.4E382 Q383 I385 H518 F520 D541 A542 Y642E382-I644 WeakPolarHBondContact CA-O 3.32Å; Q383-I644 PolarHBondContact N-O 2.87Å; Q383-I644 VanDerWaalsContact N-O 3.1Å; Q383-I644 PolarHBondContact O-N 3.42Å; I385-I644 HydrophobicContact CD1-CD1 3.17Å; I385-I644 HydrophobicContact CD1-CG1 3.62Å; H518-I644 HydrophobicContact CB-CB 4.44Å; H518-I644 HydrophobicContact CB-CG2 3.6Å; F520-I644 HydrophobicContact CB-CD1 4.15Å; D541-I644 HydrophobicContact CB-CD1 4.05Å; D541-I644 HydrophobicContact CB-CG2 3.47Å; D541-I644 VanDerWaalsContact CB-CG2 3.47Å; A542-I644 HydrophobicContact CB-CD1 3.97Å; Y642-I644 HydrophobicContact CD1-CD1 4.49Å; Y642-I644 HydrophobicContact CD1-CG1 3.96Å; Y642-I644 HydrophobicContact CE1-CD1 4.01Å; Y642-I644 HydrophobicContact CE1-CG1 3.5Å

Retrieved 644 of 644 residues in 299.1 ms (Link to these results)

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