A0A077ZC73_TRITR Loading...

MipA domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZC73, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 231 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
1M31.5Very low64.4Low247 Ų24795.4 Ų95.4100%1.21760%0.597SS**  0102.40-70.5177.8-160.700106.4S3M1-S3 PolarHBondContact O-N 3.01Å
2A39Very low67.1Low107 Ų10789.3 Ų89.388%0.88457%0.567SS**  trans-71.2115.7172.600000106.9A4A2-A4 PolarHBondContact O-N 3.29Å
3S38.6Very low69.4Low102 Ų10287 Ų8771%0.71356%0.561SS**  trans-60119.6169.4-171.60000106.3M1 T5M1-S3 PolarHBondContact O-N 3.01Å; S3-T5 VanDerWaalsContact C-N 3.28Å; S3-T5 PolarHBondContact O-N 3.14Å
4A40.7Very low71.3Confident79 Ų7981.9 Ų81.965%0.65353%0.532SS*.  trans-55.599.2168.100000106.9A2 A6A2-A4 PolarHBondContact O-N 3.29Å; A4-A6 PolarHBondContact O-N 2.8Å
5T50.3Low73.1Confident97 Ų9779.1 Ų79.160%0.59552%0.519SS*.PPolyproline II helixtrans-67.1119.2171.539.10000105S3 S7S3-T5 VanDerWaalsContact C-N 3.28Å; S3-T5 PolarHBondContact O-N 3.14Å; T5-S7 PolarHBondContact O-N 3.45Å
6A63.2Low74.4Confident87 Ų8775.1 Ų75.172%0.71949%0.494SS*.PPolyproline II helixtrans-47129.2174.600000108.4A4 E8A4-A6 PolarHBondContact O-N 2.8Å; A6-E8 PolarHBondContact O-N 3.39Å
7S71.1Confident75.6Confident71 Ų7175.2 Ų75.250%0.49748%0.483SS..PPolyproline II helixtrans-61.2126.8-178.146.40000109.6T5 L9 E38T5-S7 PolarHBondContact O-N 3.45Å; S7-L9 PolarHBondContact O-N 3.49Å; S7-E38 VanDerWaalsContact CA-O 3.32Å; S7-E38 WeakPolarHBondContact CA-O 3.47Å
8E88.2Confident76.4Confident114 Ų11474.4 Ų74.453%0.53347%0.474SS..EExtended strand (participates in β ladder)trans-98.789.3-178.1-65.7-166.1163.800109.3A6 Y37 E38A6-E8 PolarHBondContact O-N 3.39Å; E8-Y37 WeakPolarHBondContact O-CA 3.38Å; E8-E38 PolarHBondContact N-O 2.82Å; E8-E38 PolarHBondContact O-N 2.74Å
9L94.3Very high76.9Confident57 Ų5773.2 Ų73.230%0.29846%0.461SS..EExtended strand (participates in β ladder)trans-85.6133.3172.2179.563.2000110.1S7 I11 S36 Y37 R230 F231S7-L9 PolarHBondContact O-N 3.49Å; L9-I11 HydrophobicContact CD1-CD1 4.42Å; L9-I11 HydrophobicContact CD1-CG1 4.12Å; L9-I11 HydrophobicContact CD2-CD1 4.23Å; L9-I11 HydrophobicContact CG-CD1 4.45Å; L9-I11 HydrophobicContact CG-CG1 4.28Å; L9-S36 CarbonylContact C-O 3.59Å; L9-Y37 HydrophobicContact CB-CD2 4.13Å; L9-Y37 HydrophobicContact CD1-CD2 4.13Å; L9-R230 WeakPolarHBondContact O-CA 3.34Å; L9-F231 HydrophobicContact CB-CB 4.47Å; L9-F231 HydrophobicContact CB-CD2 4.18Å; L9-F231 HydrophobicContact CD2-CD2 3.9Å; L9-F231 HydrophobicContact CD2-CE2 4.21Å; L9-F231 HydrophobicContact CD2-CG 4.42Å; L9-F231 HydrophobicContact CG-CD2 3.82Å; L9-F231 HydrophobicContact CG-CE2 4.29Å; L9-F231 PolarHBondContact O-N 3.27Å
10S94.8Very high77.5Confident6 Ų670.6 Ų70.64%0.04245%0.446CS..EExtended strand (participates in β ladder)trans-134136.2166.3-163.90000110.9I35 S36 S228 W229S10-I35 WeakPolarHBondContact O-CA 3.08Å; S10-S36 VanDerWaalsContact CB-OG 3.3Å; S10-S36 WeakPolarHBondContact CB-OG 3.13Å; S10-S36 PolarHBondContact N-O 3.23Å; S10-S36 PolarHBondContact O-N 2.82Å; S10-S228 WeakPolarHBondContact OG-CB 3.43Å; S10-S228 PolarHBondContact OG-OG 2.9Å; S10-W229 VanDerWaalsContact CA-O 3.26Å; S10-W229 WeakPolarHBondContact CA-O 3.28Å; S10-W229 PolarHBondContact OG-O 2.63Å
11I96.5Very high78.2Confident82 Ų8267.8 Ų67.842%0.42143%0.428SS..EExtended strand (participates in β ladder)trans-130.1136.6177.8-57.7174.8000109.2L9 L34 S228 W229 F231L9-I11 HydrophobicContact CD1-CD1 4.42Å; L9-I11 HydrophobicContact CD1-CG1 4.12Å; L9-I11 HydrophobicContact CD2-CD1 4.23Å; L9-I11 HydrophobicContact CG-CD1 4.45Å; L9-I11 HydrophobicContact CG-CG1 4.28Å; I11-L34 CarbonylContact C-O 3.53Å; I11-L34 WeakPolarHBondContact CA-O 3.35Å; I11-S228 CarbonylContact O-C 3.51Å; I11-S228 WeakPolarHBondContact O-CA 3.21Å; I11-W229 PolarHBondContact N-O 3.41Å; I11-W229 PolarHBondContact O-N 3.2Å; I11-F231 HydrophobicContact CB-CE2 4.22Å; I11-F231 HydrophobicContact CD1-CE2 3.99Å; I11-F231 HydrophobicContact CD1-CZ 4.4Å; I11-F231 HydrophobicContact CG1-CE2 4.04Å
12G96.7Very high81.2Confident22 Ų2256.1 Ų56.123%0.22737%0.371CS..EExtended strand (participates in β ladder)trans-165.7-172.5-173.500000113.8L34 V227G12-L34 PolarHBondContact N-O 2.79Å; G12-L34 PolarHBondContact O-N 3.31Å; G12-V227 CarbonylContact C-O 3.59Å; G12-V227 WeakPolarHBondContact CA-O 3.44Å
13A97.7Very high83.8Confident60 Ų6055.8 Ų55.850%0.49635%0.347SS..EExtended strand (participates in β ladder)trans-140.7152.5176.500000110.1I32 G226 V227A13-I32 WeakPolarHBondContact CA-O 3.45Å; A13-G226 VanDerWaalsContact O-CA 3.31Å; A13-G226 WeakPolarHBondContact O-CA 3.33Å; A13-V227 PolarHBondContact N-O 3.12Å; A13-V227 PolarHBondContact O-N 2.85Å
14G96.4Very high86.3Confident15 Ų1551.8 Ų51.816%0.15532%0.322CS..EExtended strand (participates in β ladder)trans-147.3178.1177.600000112.7A31 I32 T225G14-A31 WeakPolarHBondContact O-CA 3.22Å; G14-I32 PolarHBondContact N-O 2.88Å; G14-I32 PolarHBondContact O-N 2.91Å; G14-T225 CarbonylContact C-O 3.54Å; G14-T225 WeakPolarHBondContact CA-O 3.27Å
15A97.2Very high88.5Confident40 Ų4049.9 Ų49.933%0.33130%0.298SS..EExtended strand (participates in β ladder)trans-118.1131.3168.600000108.4T29 K30 V224 T225A15-T29 HydrophobicContact CB-CG2 4.31Å; A15-K30 WeakPolarHBondContact CA-O 3.42Å; A15-V224 WeakPolarHBondContact O-CA 3.39Å; A15-T225 PolarHBondContact N-O 2.85Å; A15-T225 PolarHBondContact O-N 2.87Å
16A95.1Very high90Very high15 Ų1550.2 Ų50.212%0.12430%0.296CS..EExtended strand (participates in β ladder)trans-102.6117.8170.800000108.5T29 K30 I32 F223 V224A16-T29 CarbonylContact O-C 3.54Å; A16-T29 VanDerWaalsContact O-CA 3.25Å; A16-T29 WeakPolarHBondContact O-CA 3.37Å; A16-K30 PolarHBondContact N-O 2.89Å; A16-K30 PolarHBondContact O-N 3.25Å; A16-I32 HydrophobicContact CB-CD1 4.15Å; A16-I32 HydrophobicContact CB-CG2 3.87Å; A16-F223 CarbonylContact C-O 3.46Å; A16-V224 HydrophobicContact CB-CG2 3.94Å
17Y94.5Very high90.9Very high78 Ų7853.1 Ų53.131%0.30630%0.295SS..EExtended strand (participates in β ladder)trans-87.2124.5161.4-177.5-92.1000108.8E19 N28 F221 T222 F223Y17-E19 HydrophobicContact CE1-CG 3.76Å; Y17-E19 WeakPolarHBondContact OH-CG 3.26Å; Y17-E19 PolarHBondContact OH-OE1 2.81Å; Y17-N28 CarbonylContact C-O 3.37Å; Y17-N28 WeakPolarHBondContact CA-O 3.22Å; Y17-N28 HydrophobicContact CD2-CB 4.04Å; Y17-N28 WeakPolarHBondContact CD2-O 3.32Å; Y17-N28 HydrophobicContact CE2-CB 3.57Å; Y17-F221 HydrophobicContact CD1-CD1 4.42Å; Y17-T222 CarbonylContact O-C 3.59Å; Y17-T222 WeakPolarHBondContact O-CA 3.37Å; Y17-F223 PolarHBondContact N-O 3.44Å; Y17-F223 PolarHBondContact O-N 2.85Å
18N89.9Confident91.6Very high60 Ų6051.6 Ų51.632%0.32128%0.281SS..EExtended strand (participates in β ladder)trans-145.7123.2175.1173.4-107.7000108.1N28 F221 T222N18-N28 PolarHBondContact N-O 2.76Å; N18-N28 VanDerWaalsContact O-CA 3.25Å; N18-N28 WeakPolarHBondContact O-CA 3.34Å; N18-F221 PolarHBondContact ND2-O 3.3Å; N18-T222 PolarHBondContact ND2-OG1 3.39Å
19E86.4Confident91.8Very high51 Ų5150.1 Ų50.124%0.23828%0.28CS..  trans-82.9116.5168.7-71.1179.8-166.200107.6Y17 R217Y17-E19 HydrophobicContact CE1-CG 3.76Å; Y17-E19 WeakPolarHBondContact OH-CG 3.26Å; Y17-E19 PolarHBondContact OH-OE1 2.81Å; E19-R217 IonicContact OE2-CZ 3.89Å; E19-R217 IonicContact OE2-NH1 2.67Å; E19-R217 PolarHBondContact OE2-NH1 2.66Å; E19-R217 IonicContact OE2-NH2 2.82Å; E19-R217 PolarHBondContact OE2-NH2 2.76Å
20S88.4Confident91.7Very high22 Ų2252.6 Ų52.615%0.15429%0.288CS..  trans-59134.6173.8-177.60000109.3Y22S20-Y22 PolarHBondContact O-N 2.89Å; S20-Y22 WeakPolarHBondContact OG-CB 3.4Å; S20-Y22 WeakPolarHBondContact OG-CD2 3.46Å; S20-Y22 PolarHBondContact OG-N 3.38Å
21P91.2Very high91.7Very high11 Ų1156.8 Ų56.87%0.07132%0.324CS..SBendtrans-72.8-13.5172.734.2-37000111.8L205 I215 D216P21-L205 HydrophobicContact CB-CD1 3.63Å; P21-L205 HydrophobicContact CG-CD1 4.47Å; P21-I215 HydrophobicContact CB-CD1 4.08Å; P21-I215 HydrophobicContact CB-CG2 4.46Å; P21-I215 HydrophobicContact CG-CD1 4.28Å; P21-I215 WeakPolarHBondContact O-CA 3.39Å; P21-I215 WeakPolarHBondContact O-CD1 3.2Å; P21-D216 PolarHBondContact O-N 2.89Å
22Y94.6Very high91.5Very high3 Ų355.2 Ų55.21%0.01232%0.316CS..BIsolated β-bridgetrans-71.4133176-62.7-59.8000111.6S20 Y25 L70 E71 F72 Y156 Y157 M214 I215S20-Y22 PolarHBondContact O-N 2.89Å; S20-Y22 WeakPolarHBondContact OG-CB 3.4Å; S20-Y22 WeakPolarHBondContact OG-CD2 3.46Å; S20-Y22 PolarHBondContact OG-N 3.38Å; Y22-Y25 HydrophobicContact CD2-CE2 4.31Å; Y22-Y25 HydrophobicContact CG-CE2 4.45Å; Y22-L70 HydrophobicContact CE2-CD1 3.99Å; Y22-E71 VanDerWaalsContact CE2-O 3.29Å; Y22-E71 WeakPolarHBondContact CE2-O 3.36Å; Y22-F72 HydrophobicContact CD1-CD2 4.19Å; Y22-F72 HydrophobicContact CD2-CB 4.26Å; Y22-F72 HydrophobicContact CD2-CD2 4.12Å; Y22-F72 HydrophobicContact CE1-CB 4.49Å; Y22-F72 HydrophobicContact CE2-CB 3.85Å; Y22-F72 HydrophobicContact CE2-CD2 4.49Å; Y22-F72 AromaticContact CG-CD2 3.97Å; Y22-F72 HydrophobicContact CG-CD2 3.97Å; Y22-Y156 VanDerWaalsContact CE1-O 3.27Å; Y22-Y156 WeakPolarHBondContact CE1-O 3.4Å; Y22-Y156 PolarHBondContact OH-O 3.05Å; Y22-Y157 AromaticContact CE1-CD1 3.97Å; Y22-Y157 HydrophobicContact CE1-CD1 3.97Å; Y22-Y157 HydrophobicContact CE1-CE1 4.12Å; Y22-M214 CarbonylContact C-O 3.58Å; Y22-M214 WeakPolarHBondContact CA-O 3.43Å; Y22-M214 HydrophobicContact CD1-CB 4.04Å; Y22-M214 HydrophobicContact CD1-CE 3.91Å; Y22-M214 HydrophobicContact CE1-CB 4.37Å; Y22-M214 HydrophobicContact CE1-CE 3.65Å; Y22-M214 HydrophobicContact CE1-SD 4.48Å; Y22-I215 HydrophobicContact CD1-CD1 3.65Å; Y22-I215 HydrophobicContact CE1-CD1 3.97Å; Y22-I215 HydrophobicContact CG-CD1 4.46Å
23R93.5Very high91.4Very high99 Ų9959 Ų5937%0.37434%0.336SS..THydrogen-bonded Turntrans-53.9138.6172.3179.8178.1177.6-169.7-2.8111.3Y25 N77 D79 M82 M214 D216R23-Y25 PolarHBondContact O-N 2.78Å; R23-N77 PolarHBondContact O-ND2 2.96Å; R23-N77 PolarHBondContact O-OD1 2.98Å; R23-D79 IonicContact CZ-OD2 3.58Å; R23-D79 IonicContact NE-OD2 2.96Å; R23-D79 PolarHBondContact NE-OD2 2.89Å; R23-D79 IonicContact NH1-OD2 3.95Å; R23-D79 IonicContact NH2-OD2 2.66Å; R23-D79 PolarHBondContact NH2-OD2 3.06Å; R23-M82 HydrophobicContact CB-CE 4.44Å; R23-M82 HydrophobicContact CB-CG 4.32Å; R23-M82 HydrophobicContact CB-SD 4.28Å; R23-M82 HydrophobicContact CG-CG 4.48Å; R23-M214 PolarHBondContact N-O 3.26Å; R23-D216 WeakPolarHBondContact CA-OD2 3.46Å; R23-D216 HydrophobicContact CB-CB 4.2Å
24G92Very high91.2Very high19 Ų1957.3 Ų57.320%0.19632%0.319CS..THydrogen-bonded Turntrans81.37.4167.600000115.9N77 D78G24-N77 WeakPolarHBondContact CA-OD1 3.4Å; G24-D78 PolarHBondContact O-N 2.98Å
25Y87.6Confident91Very high39 Ų3960.5 Ų60.515%0.15333%0.331CS..  trans-85.2134.7167.5-86.5-84000112.2Y22 R23 F72 D73 D76 N77Y22-Y25 HydrophobicContact CD2-CE2 4.31Å; Y22-Y25 HydrophobicContact CG-CE2 4.45Å; R23-Y25 PolarHBondContact O-N 2.78Å; Y25-F72 AromaticContact CE2-CD2 3.78Å; Y25-F72 HydrophobicContact CE2-CD2 3.78Å; Y25-F72 HydrophobicContact CE2-CE2 4.05Å; Y25-D73 VanDerWaalsContact OH-C 3.29Å; Y25-D73 WeakPolarHBondContact OH-CA 3.42Å; Y25-D73 PolarHBondContact OH-N 2.75Å; Y25-D73 PolarHBondContact OH-O 3.4Å; Y25-D76 HydrophobicContact CE1-CB 3.86Å; Y25-N77 WeakPolarHBondContact CE2-ND2 3.33Å
26N80.9Confident90.9Very high103 Ų10360.3 Ų60.355%0.55133%0.328SS*.  trans-113.6-20.5175-60.1-51.8000113.7N28 D78N26-N28 PolarHBondContact O-N 2.94Å; N26-N28 PolarHBondContact O-ND2 3.26Å; N26-D78 VanDerWaalsContact ND2-CG 3.3Å; N26-D78 PolarHBondContact ND2-OD2 2.9Å
27E81.1Confident90.9Very high148 Ų14863.2 Ų63.269%0.69234%0.336SS*.  trans-79.7107.7180-71.5-158.5173.100111.2
28N85.9Confident90.9Very high39 Ų3963 Ų6321%0.20934%0.337CS..  trans-110.74.8-174.1-59.7-36.6000113.4Y17 N18 N26Y17-N28 CarbonylContact C-O 3.37Å; Y17-N28 WeakPolarHBondContact CA-O 3.22Å; Y17-N28 HydrophobicContact CD2-CB 4.04Å; Y17-N28 WeakPolarHBondContact CD2-O 3.32Å; Y17-N28 HydrophobicContact CE2-CB 3.57Å; N18-N28 PolarHBondContact N-O 2.76Å; N18-N28 VanDerWaalsContact O-CA 3.25Å; N18-N28 WeakPolarHBondContact O-CA 3.34Å; N26-N28 PolarHBondContact O-N 2.94Å; N26-N28 PolarHBondContact O-ND2 3.26Å
29T92.7Very high91.1Very high84 Ų8460.6 Ų60.652%0.51533%0.327SS..EExtended strand (participates in β ladder)trans-136.3123.7-175-57.70000112.6A15 A16A15-T29 HydrophobicContact CB-CG2 4.31Å; A16-T29 CarbonylContact O-C 3.54Å; A16-T29 VanDerWaalsContact O-CA 3.25Å; A16-T29 WeakPolarHBondContact O-CA 3.37Å
30K92.3Very high91.3Very high108 Ų10862.9 Ų62.947%0.4734%0.341SS..EExtended strand (participates in β ladder)trans-123.3141.8177.6-63.9-176.1178.1-1800110.7A15 A16 E71A15-K30 WeakPolarHBondContact CA-O 3.42Å; A16-K30 PolarHBondContact N-O 2.89Å; A16-K30 PolarHBondContact O-N 3.25Å; K30-E71 IonicContact NZ-OE1 3.17Å; K30-E71 PolarHBondContact NZ-OE1 2.9Å
31A94.6Very high91.6Very high95 Ų9564.6 Ų64.679%0.78535%0.353SS*.EExtended strand (participates in β ladder)trans-74.6137.9169.100000109.4G14G14-A31 WeakPolarHBondContact O-CA 3.22Å
32I92.9Very high91.9Very high49 Ų4969.8 Ų69.825%0.25138%0.375SS..EExtended strand (participates in β ladder)trans-130.2138.3-177.763169.5000111.8A13 G14 A16 L34 V224A13-I32 WeakPolarHBondContact CA-O 3.45Å; G14-I32 PolarHBondContact N-O 2.88Å; G14-I32 PolarHBondContact O-N 2.91Å; A16-I32 HydrophobicContact CB-CD1 4.15Å; A16-I32 HydrophobicContact CB-CG2 3.87Å; I32-L34 HydrophobicContact CD1-CD2 3.87Å; I32-L34 HydrophobicContact CG1-CD2 4.13Å; I32-V224 HydrophobicContact CD1-CB 4.39Å; I32-V224 HydrophobicContact CD1-CG1 3.4Å; I32-V224 HydrophobicContact CD1-CG2 4.05Å; I32-V224 HydrophobicContact CG1-CG1 4.45Å
33P94.2Very high92Very high101 Ų10169.8 Ų69.866%0.65638%0.375SS*.EExtended strand (participates in β ladder)trans-71.2140.3167.630.6-33000109.7
34L92.9Very high92.1Very high25 Ų2566.4 Ų66.413%0.13137%0.365CS..EExtended strand (participates in β ladder)trans-112.8107.7174.1-60.5-178.9000108.4I11 G12 I32 M197I11-L34 CarbonylContact C-O 3.53Å; I11-L34 WeakPolarHBondContact CA-O 3.35Å; G12-L34 PolarHBondContact N-O 2.79Å; G12-L34 PolarHBondContact O-N 3.31Å; I32-L34 HydrophobicContact CD1-CD2 3.87Å; I32-L34 HydrophobicContact CG1-CD2 4.13Å; L34-M197 HydrophobicContact CD1-CE 3.69Å; L34-M197 HydrophobicContact CD2-CE 3.49Å; L34-M197 VanDerWaalsContact CD2-CE 3.49Å; L34-M197 HydrophobicContact CG-CE 4.24Å
35I93.8Very high92.1Very high82 Ų8267.8 Ų67.842%0.42136%0.364SS..EExtended strand (participates in β ladder)trans-125.1129.6178.1-56.6171.8000107.2S10 V44S10-I35 WeakPolarHBondContact O-CA 3.08Å; I35-V44 HydrophobicContact CB-CG1 4.43Å; I35-V44 HydrophobicContact CG2-CG1 4.15Å
36S93.8Very high91.9Very high36 Ų3673.1 Ų73.125%0.25239%0.391SS..EExtended strand (participates in β ladder)trans-134.7141.1168.767.80000110.2L9 S10 V44L9-S36 CarbonylContact C-O 3.59Å; S10-S36 VanDerWaalsContact CB-OG 3.3Å; S10-S36 WeakPolarHBondContact CB-OG 3.13Å; S10-S36 PolarHBondContact N-O 3.23Å; S10-S36 PolarHBondContact O-N 2.82Å; S36-V44 VanDerWaalsContact CA-O 3.29Å; S36-V44 WeakPolarHBondContact CA-O 3.23Å
37Y95.6Very high92.2Very high76 Ų7673 Ų7330%0.29839%0.393SS..EExtended strand (participates in β ladder)trans-147.5132.2177.2176.3-101.7000108.3E8 L9 F42 Y43 V44E8-Y37 WeakPolarHBondContact O-CA 3.38Å; L9-Y37 HydrophobicContact CB-CD2 4.13Å; L9-Y37 HydrophobicContact CD1-CD2 4.13Å; Y37-F42 HydrophobicContact CE1-CB 4.46Å; Y37-F42 WeakPolarHBondContact CE1-O 3.31Å; Y37-Y43 CarbonylContact O-C 3.55Å; Y37-Y43 WeakPolarHBondContact O-CA 3.34Å; Y37-Y43 WeakPolarHBondContact O-CB 3.44Å; Y37-V44 PolarHBondContact N-O 3.04Å; Y37-V44 PolarHBondContact O-N 3.11Å
38E94.9Very high92.9Very high72 Ų7266.8 Ų66.834%0.33637%0.366SS..EExtended strand (participates in β ladder)trans-125.2124.5170.1-66-71.7167.800107.9S7 E8 R45S7-E38 VanDerWaalsContact CA-O 3.32Å; S7-E38 WeakPolarHBondContact CA-O 3.47Å; E8-E38 PolarHBondContact N-O 2.82Å; E8-E38 PolarHBondContact O-N 2.74Å; E38-R45 WeakPolarHBondContact OE1-CG 3.45Å; E38-R45 IonicContact OE1-CZ 2.73Å; E38-R45 IonicContact OE1-NE 3.33Å; E38-R45 PolarHBondContact OE1-NE 3.29Å; E38-R45 IonicContact OE1-NH2 2.66Å; E38-R45 IonicContact OE2-CZ 3.17Å; E38-R45 IonicContact OE2-NE 2.68Å; E38-R45 PolarHBondContact OE2-NE 2.78Å; E38-R45 IonicContact OE2-NH2 3.34Å; E38-R45 PolarHBondContact OE2-NH2 2.96Å; E38-R45 VanDerWaalsContact OE2-NH2 3.09Å
39G93.4Very high93.4Very high11 Ų1169.6 Ų69.611%0.11338%0.381CS..  trans-145.1178.817500000111.1S41 F42G39-S41 VanDerWaalsContact C-N 3.3Å; G39-S41 PolarHBondContact O-N 2.75Å; G39-F42 PolarHBondContact N-O 3Å; G39-F42 VanDerWaalsContact N-O 3.1Å
40D91.8Very high93.7Very high99 Ų9965.9 Ų65.953%0.52936%0.358SS..SBendtrans-67.7-24.9-168.8-62.3-19.2000114.6
41S94.4Very high94Very high57 Ų5764.6 Ų64.640%0.39935%0.353SS..SBendtrans-128.8-16.6-177.1-51.90000113.9G39 F51 I52G39-S41 VanDerWaalsContact C-N 3.3Å; G39-S41 PolarHBondContact O-N 2.75Å; S41-F51 WeakPolarHBondContact O-CA 3.34Å; S41-F51 VanDerWaalsContact O-CD2 3.29Å; S41-F51 WeakPolarHBondContact O-CD2 2.93Å; S41-I52 PolarHBondContact O-N 2.78Å
42F96.2Very high94.2Very high120 Ų12061 Ų6153%0.52632%0.32SS..EExtended strand (participates in β ladder)trans-138.2144.1-175.8-65.2-91.5000110Y37 G39 G50 F51Y37-F42 HydrophobicContact CE1-CB 4.46Å; Y37-F42 WeakPolarHBondContact CE1-O 3.31Å; G39-F42 PolarHBondContact N-O 3Å; G39-F42 VanDerWaalsContact N-O 3.1Å; F42-G50 CarbonylContact C-O 3.57Å; F42-G50 VanDerWaalsContact CA-O 3.24Å; F42-G50 WeakPolarHBondContact CA-O 3.32Å; F42-F51 HydrophobicContact CD1-CB 4.09Å; F42-F51 AromaticContact CD1-CD2 3.66Å; F42-F51 HydrophobicContact CD1-CD2 3.66Å; F42-F51 HydrophobicContact CD1-CG 4.35Å; F42-F51 HydrophobicContact CD2-CD2 4.17Å; F42-F51 HydrophobicContact CD2-CE2 4.48Å; F42-F51 HydrophobicContact CE1-CB 3.97Å; F42-F51 AromaticContact CE1-CD2 3.18Å; F42-F51 HydrophobicContact CE1-CD2 3.18Å; F42-F51 AromaticContact CE1-CE2 3.93Å; F42-F51 HydrophobicContact CE1-CE2 3.93Å; F42-F51 AromaticContact CE1-CG 3.91Å; F42-F51 HydrophobicContact CE1-CG 3.91Å; F42-F51 AromaticContact CE2-CD2 3.73Å; F42-F51 HydrophobicContact CE2-CD2 3.73Å; F42-F51 AromaticContact CE2-CE2 3.75Å; F42-F51 HydrophobicContact CE2-CE2 3.75Å; F42-F51 HydrophobicContact CG-CD2 4.14Å; F42-F51 AromaticContact CZ-CD2 3.21Å; F42-F51 HydrophobicContact CZ-CD2 3.21Å; F42-F51 AromaticContact CZ-CE2 3.44Å; F42-F51 HydrophobicContact CZ-CE2 3.44Å; F42-F51 VanDerWaalsContact CZ-CE2 3.44Å; F42-F51 HydrophobicContact CZ-CG 4.28Å
43Y96.7Very high94.4Very high3 Ų362.9 Ų62.91%0.01233%0.33CS..EExtended strand (participates in β ladder)trans-136.4158.4171.161.6-105000111.8Y37 R45 G50 I52 E60 S62Y37-Y43 CarbonylContact O-C 3.55Å; Y37-Y43 WeakPolarHBondContact O-CA 3.34Å; Y37-Y43 WeakPolarHBondContact O-CB 3.44Å; Y43-R45 HydrophobicContact CD2-CB 3.94Å; Y43-R45 HydrophobicContact CD2-CG 3.52Å; Y43-R45 HydrophobicContact CE2-CB 4.2Å; Y43-R45 HydrophobicContact CE2-CG 4.04Å; Y43-R45 HydrophobicContact CG-CG 4.11Å; Y43-G50 PolarHBondContact N-O 2.92Å; Y43-G50 PolarHBondContact O-N 2.87Å; Y43-I52 HydrophobicContact CD1-CD1 4.22Å; Y43-I52 HydrophobicContact CD1-CG1 3.98Å; Y43-I52 HydrophobicContact CE1-CG1 4.06Å; Y43-E60 VanDerWaalsContact CE1-OE1 3.26Å; Y43-E60 WeakPolarHBondContact CE1-OE1 3.31Å; Y43-S62 WeakPolarHBondContact CE1-OG 3.14Å; Y43-S62 WeakPolarHBondContact OH-CB 3.41Å; Y43-S62 PolarHBondContact OH-OG 2.92Å
44V96.7Very high94.5Very high28 Ų2861.2 Ų61.217%0.1732%0.321CS..EExtended strand (participates in β ladder)trans-121.6106.1162.6-175.60000106.5I35 S36 Y37 T48 L49I35-V44 HydrophobicContact CB-CG1 4.43Å; I35-V44 HydrophobicContact CG2-CG1 4.15Å; S36-V44 VanDerWaalsContact CA-O 3.29Å; S36-V44 WeakPolarHBondContact CA-O 3.23Å; Y37-V44 PolarHBondContact N-O 3.04Å; Y37-V44 PolarHBondContact O-N 3.11Å; V44-T48 WeakPolarHBondContact CA-O 3.1Å; V44-L49 HydrophobicContact CB-CD2 4.21Å; V44-L49 HydrophobicContact CG1-CD2 3.99Å; V44-L49 HydrophobicContact CG2-CD2 3.44Å; V44-L49 VanDerWaalsContact CG2-CD2 3.44Å
45R92.1Very high94.6Very high49 Ų4965.7 Ų65.719%0.18534%0.341CS..EExtended strand (participates in β ladder)trans-112.9112.7178.2-72.9173.6-173158.28.4107.9E38 Y43 T47 T48 E60E38-R45 WeakPolarHBondContact OE1-CG 3.45Å; E38-R45 IonicContact OE1-CZ 2.73Å; E38-R45 IonicContact OE1-NE 3.33Å; E38-R45 PolarHBondContact OE1-NE 3.29Å; E38-R45 IonicContact OE1-NH2 2.66Å; E38-R45 IonicContact OE2-CZ 3.17Å; E38-R45 IonicContact OE2-NE 2.68Å; E38-R45 PolarHBondContact OE2-NE 2.78Å; E38-R45 IonicContact OE2-NH2 3.34Å; E38-R45 PolarHBondContact OE2-NH2 2.96Å; E38-R45 VanDerWaalsContact OE2-NH2 3.09Å; Y43-R45 HydrophobicContact CD2-CB 3.94Å; Y43-R45 HydrophobicContact CD2-CG 3.52Å; Y43-R45 HydrophobicContact CE2-CB 4.2Å; Y43-R45 HydrophobicContact CE2-CG 4.04Å; Y43-R45 HydrophobicContact CG-CG 4.11Å; R45-T47 PolarHBondContact O-N 3.19Å; R45-T48 PolarHBondContact N-O 3.47Å; R45-T48 PolarHBondContact O-N 3.14Å; R45-E60 IonicContact CZ-OE1 2.6Å; R45-E60 IonicContact CZ-OE2 2.68Å; R45-E60 IonicContact NH1-OE1 2.89Å; R45-E60 PolarHBondContact NH1-OE1 2.77Å; R45-E60 IonicContact NH1-OE2 2.8Å; R45-E60 IonicContact NH2-OE1 3.61Å; R45-E60 PolarHBondContact NH2-OE1 2.84Å; R45-E60 IonicContact NH2-OE2 2.7Å; R45-E60 PolarHBondContact NH2-OE2 3.09Å
46Q83.1Confident94.7Very high151 Ų15165 Ų6571%0.70634%0.344SS*.THydrogen-bonded Turntrans54.9-111.9-177-59.2172-27.300110.7
47T86.4Confident94.7Very high99 Ų9972.5 Ų72.561%0.60738%0.375SS*.THydrogen-bonded Turntrans-101.87178.956.20000113.2R45 S66R45-T47 PolarHBondContact O-N 3.19Å; T47-S66 WeakPolarHBondContact O-CA 3.4Å
48T95.6Very high94.7Very high19 Ų1973 Ų7312%0.11738%0.379CS..EExtended strand (participates in β ladder)trans-110122.7-175.3-51.30000111.5V44 R45 T64 A65V44-T48 WeakPolarHBondContact CA-O 3.1Å; R45-T48 PolarHBondContact N-O 3.47Å; R45-T48 PolarHBondContact O-N 3.14Å; T48-T64 HydrophobicContact CG2-CG2 3.89Å; T48-A65 CarbonylContact C-O 3.51Å; T48-A65 WeakPolarHBondContact CA-O 3.45Å
49L98Very high94.9Very high98 Ų9872.1 Ų72.151%0.51338%0.376SS..EExtended strand (participates in β ladder)trans-82.7135.3162.5-55.7179.9000108.6V44 T64 A65V44-L49 HydrophobicContact CB-CD2 4.21Å; V44-L49 HydrophobicContact CG1-CD2 3.99Å; V44-L49 HydrophobicContact CG2-CD2 3.44Å; V44-L49 VanDerWaalsContact CG2-CD2 3.44Å; L49-T64 CarbonylContact O-C 3.57Å; L49-T64 VanDerWaalsContact O-CA 3.25Å; L49-T64 WeakPolarHBondContact O-CA 3.3Å; L49-A65 HydrophobicContact CB-CB 4.47Å; L49-A65 PolarHBondContact N-O 2.93Å; L49-A65 PolarHBondContact O-N 2.67Å
50G98.4Very high95.1Very high5 Ų571.7 Ų71.75%0.05237%0.372CS..EExtended strand (participates in β ladder)trans-132.8140177.400000113.1F42 Y43 L63F42-G50 CarbonylContact C-O 3.57Å; F42-G50 VanDerWaalsContact CA-O 3.24Å; F42-G50 WeakPolarHBondContact CA-O 3.32Å; Y43-G50 PolarHBondContact N-O 2.92Å; Y43-G50 PolarHBondContact O-N 2.87Å; G50-L63 CarbonylContact C-O 3.56Å; G50-L63 VanDerWaalsContact CA-O 3.28Å; G50-L63 WeakPolarHBondContact CA-O 3.37Å
51F98.5Very high95.4Very high81 Ų8170 Ų7036%0.35536%0.362SS..EExtended strand (participates in β ladder)trans-113117.1167.7176.7-110.4000109.4S41 F42 L53 S62 L63S41-F51 WeakPolarHBondContact O-CA 3.34Å; S41-F51 VanDerWaalsContact O-CD2 3.29Å; S41-F51 WeakPolarHBondContact O-CD2 2.93Å; F42-F51 HydrophobicContact CD1-CB 4.09Å; F42-F51 AromaticContact CD1-CD2 3.66Å; F42-F51 HydrophobicContact CD1-CD2 3.66Å; F42-F51 HydrophobicContact CD1-CG 4.35Å; F42-F51 HydrophobicContact CD2-CD2 4.17Å; F42-F51 HydrophobicContact CD2-CE2 4.48Å; F42-F51 HydrophobicContact CE1-CB 3.97Å; F42-F51 AromaticContact CE1-CD2 3.18Å; F42-F51 HydrophobicContact CE1-CD2 3.18Å; F42-F51 AromaticContact CE1-CE2 3.93Å; F42-F51 HydrophobicContact CE1-CE2 3.93Å; F42-F51 AromaticContact CE1-CG 3.91Å; F42-F51 HydrophobicContact CE1-CG 3.91Å; F42-F51 AromaticContact CE2-CD2 3.73Å; F42-F51 HydrophobicContact CE2-CD2 3.73Å; F42-F51 AromaticContact CE2-CE2 3.75Å; F42-F51 HydrophobicContact CE2-CE2 3.75Å; F42-F51 HydrophobicContact CG-CD2 4.14Å; F42-F51 AromaticContact CZ-CD2 3.21Å; F42-F51 HydrophobicContact CZ-CD2 3.21Å; F42-F51 AromaticContact CZ-CE2 3.44Å; F42-F51 HydrophobicContact CZ-CE2 3.44Å; F42-F51 VanDerWaalsContact CZ-CE2 3.44Å; F42-F51 HydrophobicContact CZ-CG 4.28Å; F51-L53 HydrophobicContact CD1-CD2 3.89Å; F51-L53 HydrophobicContact CE1-CD2 3.91Å; F51-L53 PolarHBondContact O-N 2.73Å; F51-S62 CarbonylContact O-C 3.59Å; F51-S62 WeakPolarHBondContact O-CA 3.47Å; F51-S62 WeakPolarHBondContact O-CB 3.48Å; F51-L63 PolarHBondContact N-O 3Å; F51-L63 PolarHBondContact O-N 2.88Å
52I98.1Very high95.6Very high19 Ų1967.3 Ų67.310%0.09734%0.343CS..EExtended strand (participates in β ladder)trans-75115.1-174.8-58.5172.9000109S41 Y43 Q55 E60S41-I52 PolarHBondContact O-N 2.78Å; Y43-I52 HydrophobicContact CD1-CD1 4.22Å; Y43-I52 HydrophobicContact CD1-CG1 3.98Å; Y43-I52 HydrophobicContact CE1-CG1 4.06Å; I52-Q55 HydrophobicContact CG2-CB 3.93Å; I52-E60 HydrophobicContact CG1-CG 4.37Å; I52-E60 HydrophobicContact CG2-CG 4.14Å
53L97.7Very high95.8Very high89 Ų8965.6 Ų65.647%0.46634%0.339SS..EExtended strand (participates in β ladder)trans-84.9-40.2176.4-65.6177000111.9F51 L61 L63F51-L53 HydrophobicContact CD1-CD2 3.89Å; F51-L53 HydrophobicContact CE1-CD2 3.91Å; F51-L53 PolarHBondContact O-N 2.73Å; L53-L61 WeakPolarHBondContact CB-O 3.29Å; L53-L61 HydrophobicContact CD1-CD2 4.44Å; L53-L61 HydrophobicContact CD1-CG 4.44Å; L53-L61 PolarHBondContact N-O 2.92Å; L53-L63 HydrophobicContact CD1-CD2 4.04Å; L53-L63 HydrophobicContact CD1-CG 3.87Å; L53-L63 HydrophobicContact CD2-CD1 4.18Å; L53-L63 HydrophobicContact CD2-CG 4.06Å; L53-L63 HydrophobicContact CG-CG 4.08Å
54S97.2Very high95.9Very high66 Ų6666.2 Ų66.246%0.46234%0.343SS..EExtended strand (participates in β ladder)trans-149.1142.5175.264.30000110.8E60 L61S54-E60 WeakPolarHBondContact O-CA 3.18Å; S54-L61 PolarHBondContact N-O 2.84Å; S54-L61 PolarHBondContact O-N 2.82Å
55Q95Very high95.9Very high119 Ų11966.9 Ų66.956%0.55635%0.352SS*.EExtended strand (participates in β ladder)trans-139.5130.8177.4-159.9175.64700109.3I52 N59 E60I52-Q55 HydrophobicContact CG2-CB 3.93Å; Q55-N59 CarbonylContact C-O 3.51Å; Q55-N59 WeakPolarHBondContact CA-O 3.33Å; Q55-E60 HydrophobicContact CG-CB 4.47Å; Q55-E60 HydrophobicContact CG-CG 4.39Å; Q55-E60 PolarHBondContact NE2-OE2 3.41Å
56S95Very high96.2Very high67 Ų6766 Ų6647%0.46935%0.353SS..  trans-125-177173.763.80000109K58 N59S56-K58 PolarHBondContact O-N 2.8Å; S56-K58 VanDerWaalsContact O-N 3.16Å; S56-N59 PolarHBondContact N-O 3.2Å; S56-N59 WeakPolarHBondContact OG-CB 3.33Å; S56-N59 PolarHBondContact OG-N 3.37Å; S56-N59 PolarHBondContact OG-O 3.19Å
57E93.1Very high96.8Very high195 Ų19565 Ų6591%0.91134%0.343SS*.SBendtrans-58.2-29.5178.2-65.6-173.7173.300113.8
58K97.1Very high97.2Very high86 Ų8662.1 Ų62.137%0.37432%0.323SS..SBendtrans-124.7-13.4-175.7-65.7-166.7175.9-167.30114.9S56 H100 H101 E102S56-K58 PolarHBondContact O-N 2.8Å; S56-K58 VanDerWaalsContact O-N 3.16Å; K58-H100 CarbonylContact O-C 3.59Å; K58-H100 VanDerWaalsContact O-CA 3.3Å; K58-H100 WeakPolarHBondContact O-CA 3.13Å; K58-H101 PolarHBondContact O-N 2.91Å; K58-E102 WeakPolarHBondContact CD-OE1 3.33Å; K58-E102 IonicContact NZ-OE1 2.93Å; K58-E102 PolarHBondContact NZ-OE1 3.47Å; K58-E102 IonicContact NZ-OE2 3.43Å; K58-E102 PolarHBondContact NZ-OE2 2.8Å
59N98.2Very high97Very high53 Ų5365.2 Ų65.228%0.28334%0.344SS..EExtended strand (participates in β ladder)trans-127.4135.9-173.6-57.5-85.5000111Q55 S56 W98 Y99 H100Q55-N59 CarbonylContact C-O 3.51Å; Q55-N59 WeakPolarHBondContact CA-O 3.33Å; S56-N59 PolarHBondContact N-O 3.2Å; S56-N59 WeakPolarHBondContact OG-CB 3.33Å; S56-N59 PolarHBondContact OG-N 3.37Å; S56-N59 PolarHBondContact OG-O 3.19Å; N59-W98 WeakPolarHBondContact OD1-CZ2 3.28Å; N59-W98 PolarHBondContact OD1-NE1 3.1Å; N59-W98 VanDerWaalsContact OD1-NE1 3.17Å; N59-Y99 CarbonylContact C-O 3.57Å; N59-Y99 VanDerWaalsContact CA-O 3.28Å; N59-Y99 WeakPolarHBondContact CA-O 3.26Å; N59-H100 PolarHBondContact OD1-ND1 2.94Å
60E97.9Very high96.8Very high3 Ų362.1 Ų62.11%0.01433%0.327CS..EExtended strand (participates in β ladder)trans-126.1129.7171.5-172.7-171.3104.500108.5Y43 R45 I52 S54 Q55 W98 Y99Y43-E60 VanDerWaalsContact CE1-OE1 3.26Å; Y43-E60 WeakPolarHBondContact CE1-OE1 3.31Å; R45-E60 IonicContact CZ-OE1 2.6Å; R45-E60 IonicContact CZ-OE2 2.68Å; R45-E60 IonicContact NH1-OE1 2.89Å; R45-E60 PolarHBondContact NH1-OE1 2.77Å; R45-E60 IonicContact NH1-OE2 2.8Å; R45-E60 IonicContact NH2-OE1 3.61Å; R45-E60 PolarHBondContact NH2-OE1 2.84Å; R45-E60 IonicContact NH2-OE2 2.7Å; R45-E60 PolarHBondContact NH2-OE2 3.09Å; I52-E60 HydrophobicContact CG1-CG 4.37Å; I52-E60 HydrophobicContact CG2-CG 4.14Å; S54-E60 WeakPolarHBondContact O-CA 3.18Å; Q55-E60 HydrophobicContact CG-CB 4.47Å; Q55-E60 HydrophobicContact CG-CG 4.39Å; Q55-E60 PolarHBondContact NE2-OE2 3.41Å; E60-W98 CarbonylContact O-C 3.52Å; E60-W98 VanDerWaalsContact O-CA 3.28Å; E60-W98 WeakPolarHBondContact O-CA 3.31Å; E60-Y99 HydrophobicContact CB-CD2 4.41Å; E60-Y99 PolarHBondContact N-O 2.82Å; E60-Y99 PolarHBondContact O-N 2.74Å
61L98.6Very high96.6Very high63 Ų6365.1 Ų65.133%0.3334%0.34SS..EExtended strand (participates in β ladder)trans-120.2130.1172179.267.9000108.6L53 S54 A97 W98L53-L61 WeakPolarHBondContact CB-O 3.29Å; L53-L61 HydrophobicContact CD1-CD2 4.44Å; L53-L61 HydrophobicContact CD1-CG 4.44Å; L53-L61 PolarHBondContact N-O 2.92Å; S54-L61 PolarHBondContact N-O 2.84Å; S54-L61 PolarHBondContact O-N 2.82Å; L61-A97 WeakPolarHBondContact CA-O 3.14Å; L61-W98 HydrophobicContact CD1-CB 4.27Å
62S98.7Very high96.5Very high0 Ų061.3 Ų61.30%032%0.323CS..EExtended strand (participates in β ladder)trans-134149.3-176.9-56.50000112.4Y43 F51 V96 A97Y43-S62 WeakPolarHBondContact CE1-OG 3.14Å; Y43-S62 WeakPolarHBondContact OH-CB 3.41Å; Y43-S62 PolarHBondContact OH-OG 2.92Å; F51-S62 CarbonylContact O-C 3.59Å; F51-S62 WeakPolarHBondContact O-CA 3.47Å; F51-S62 WeakPolarHBondContact O-CB 3.48Å; S62-V96 CarbonylContact O-C 3.53Å; S62-V96 VanDerWaalsContact O-CA 3.25Å; S62-V96 WeakPolarHBondContact O-CA 3.36Å; S62-A97 PolarHBondContact N-O 2.91Å; S62-A97 PolarHBondContact O-N 3.41Å
63L98.8Very high96.4Very high85 Ų8561.9 Ų61.945%0.44533%0.327SS..EExtended strand (participates in β ladder)trans-75.7143.2153.7-63.9177.1000108.4G50 F51 L53 G95 V96G50-L63 CarbonylContact C-O 3.56Å; G50-L63 VanDerWaalsContact CA-O 3.28Å; G50-L63 WeakPolarHBondContact CA-O 3.37Å; F51-L63 PolarHBondContact N-O 3Å; F51-L63 PolarHBondContact O-N 2.88Å; L53-L63 HydrophobicContact CD1-CD2 4.04Å; L53-L63 HydrophobicContact CD1-CG 3.87Å; L53-L63 HydrophobicContact CD2-CD1 4.18Å; L53-L63 HydrophobicContact CD2-CG 4.06Å; L53-L63 HydrophobicContact CG-CG 4.08Å; L63-G95 CarbonylContact C-O 3.55Å; L63-G95 WeakPolarHBondContact CA-O 3.37Å; L63-V96 HydrophobicContact CD2-CG1 4.1Å
64T98.8Very high96.3Very high16 Ų1658.4 Ų58.410%0.09831%0.309CS..EExtended strand (participates in β ladder)trans-128.5151.8-177.959.30000112.3T48 L49 A94 G95 V96 A97T48-T64 HydrophobicContact CG2-CG2 3.89Å; L49-T64 CarbonylContact O-C 3.57Å; L49-T64 VanDerWaalsContact O-CA 3.25Å; L49-T64 WeakPolarHBondContact O-CA 3.3Å; T64-A94 CarbonylContact O-C 3.55Å; T64-A94 WeakPolarHBondContact O-CA 3.25Å; T64-G95 PolarHBondContact N-O 2.95Å; T64-G95 PolarHBondContact O-N 3.16Å; T64-G95 PolarHBondContact OG1-O 2.86Å; T64-V96 PolarHBondContact OG1-N 2.99Å; T64-A97 HydrophobicContact CG2-CB 3.65Å
65A98.6Very high96.2Very high42 Ų4259.2 Ų59.235%0.34732%0.32SS..EExtended strand (participates in β ladder)trans-135.5138.7163.800000108.9T48 L49 M93T48-A65 CarbonylContact C-O 3.51Å; T48-A65 WeakPolarHBondContact CA-O 3.45Å; L49-A65 HydrophobicContact CB-CB 4.47Å; L49-A65 PolarHBondContact N-O 2.93Å; L49-A65 PolarHBondContact O-N 2.67Å; A65-M93 CarbonylContact C-O 3.48Å; A65-M93 VanDerWaalsContact CA-O 3.27Å; A65-M93 WeakPolarHBondContact CA-O 3.22Å
66S97.6Very high96Very high31 Ų3158.2 Ų58.222%0.21732%0.318CS..EExtended strand (participates in β ladder)trans-148.5156.6-179.653.70000111.5T47 M93T47-S66 WeakPolarHBondContact O-CA 3.4Å; S66-M93 PolarHBondContact N-O 3.17Å; S66-M93 PolarHBondContact O-N 2.81Å
67W95.6Very high96Very high129 Ų12955.1 Ų55.149%0.48930%0.297SS..EExtended strand (participates in β ladder)trans-92.4129.2169.6-170.3-104.2000110P69 S90 A92 L116W67-P69 WeakPolarHBondContact O-CD 3.44Å; W67-S90 WeakPolarHBondContact CZ2-OG 3.28Å; W67-A92 HydrophobicContact CE3-CB 4.05Å; W67-A92 HydrophobicContact CZ3-CB 4.09Å; W67-L116 HydrophobicContact CH2-CD1 4.37Å; W67-L116 HydrophobicContact CZ3-CD1 4.04Å
68M94.8Very high96.1Very high38 Ų3851.6 Ų51.619%0.18728%0.284CS..EExtended strand (participates in β ladder)trans-95.9102.8169.9178.859.673.700108.1L70 S90 T91 M93 V123 F152M68-L70 HydrophobicContact CG-CB 4.22Å; M68-L70 PolarHBondContact O-N 2.76Å; M68-L70 HydrophobicContact SD-CB 4.31Å; M68-S90 WeakPolarHBondContact O-CA 3.32Å; M68-S90 WeakPolarHBondContact O-CB 3.24Å; M68-T91 HydrophobicContact CB-CG2 4.1Å; M68-T91 PolarHBondContact N-O 2.88Å; M68-T91 PolarHBondContact O-N 2.91Å; M68-T91 VanDerWaalsContact O-N 3.13Å; M68-M93 HydrophobicContact CB-CG 3.89Å; M68-M93 HydrophobicContact CB-SD 4.37Å; M68-V123 HydrophobicContact CE-CG2 4.14Å; M68-F152 HydrophobicContact CE-CE2 4.14Å; M68-F152 HydrophobicContact CE-CZ 3.9Å; M68-F152 HydrophobicContact CG-CE2 4.02Å; M68-F152 HydrophobicContact CG-CZ 3.9Å; M68-F152 HydrophobicContact SD-CZ 4.1Å
69P92.3Very high96Very high85 Ų8548.8 Ų48.855%0.55227%0.273SS*.  trans-80.92.2-171.935.1-38000114W67 E71W67-P69 WeakPolarHBondContact O-CD 3.44Å; P69-E71 PolarHBondContact O-N 2.91Å
70L93Very high95.9Very high33 Ų3353.8 Ų53.817%0.17329%0.289CS..  trans-62.6126177.6-176.760.8000108.8Y22 M68 S90 F152 Y156 Y157Y22-L70 HydrophobicContact CE2-CD1 3.99Å; M68-L70 HydrophobicContact CG-CB 4.22Å; M68-L70 PolarHBondContact O-N 2.76Å; M68-L70 HydrophobicContact SD-CB 4.31Å; L70-S90 WeakPolarHBondContact O-CA 3.33Å; L70-S90 PolarHBondContact O-N 2.75Å; L70-F152 HydrophobicContact CD2-CE1 4.19Å; L70-F152 HydrophobicContact CD2-CZ 4.32Å; L70-Y156 HydrophobicContact CB-CD1 4.34Å; L70-Y156 HydrophobicContact CB-CE1 4.09Å; L70-Y156 HydrophobicContact CD2-CD1 3.69Å; L70-Y156 HydrophobicContact CD2-CD2 3.86Å; L70-Y156 HydrophobicContact CD2-CE1 4.18Å; L70-Y156 HydrophobicContact CD2-CE2 4.36Å; L70-Y156 HydrophobicContact CD2-CG 3.51Å; L70-Y156 HydrophobicContact CG-CD1 3.62Å; L70-Y156 HydrophobicContact CG-CE1 3.88Å; L70-Y156 HydrophobicContact CG-CG 4.01Å; L70-Y156 WeakPolarHBondContact O-CE1 3.3Å; L70-Y157 WeakPolarHBondContact CD2-OH 3.46Å
71E94.6Very high95.9Very high68 Ų6854.4 Ų54.432%0.31830%0.295SS..  trans-150.6156-178.167.8-173.4164.500109.5Y22 K30 P69 R88Y22-E71 VanDerWaalsContact CE2-O 3.29Å; Y22-E71 WeakPolarHBondContact CE2-O 3.36Å; K30-E71 IonicContact NZ-OE1 3.17Å; K30-E71 PolarHBondContact NZ-OE1 2.9Å; P69-E71 PolarHBondContact O-N 2.91Å; E71-R88 CarbonylContact C-O 3.51Å; E71-R88 VanDerWaalsContact CA-O 3.31Å; E71-R88 WeakPolarHBondContact CA-O 3.32Å
72F95.5Very high95.9Very high0 Ų051.4 Ų51.40%028%0.279CS..BIsolated β-bridgetrans-136.2109.5171.5169.9-98.3000108.2Y22 Y25 P74 M82 L85 D86 K87 R88 M214Y22-F72 HydrophobicContact CD1-CD2 4.19Å; Y22-F72 HydrophobicContact CD2-CB 4.26Å; Y22-F72 HydrophobicContact CD2-CD2 4.12Å; Y22-F72 HydrophobicContact CE1-CB 4.49Å; Y22-F72 HydrophobicContact CE2-CB 3.85Å; Y22-F72 HydrophobicContact CE2-CD2 4.49Å; Y22-F72 AromaticContact CG-CD2 3.97Å; Y22-F72 HydrophobicContact CG-CD2 3.97Å; Y25-F72 AromaticContact CE2-CD2 3.78Å; Y25-F72 HydrophobicContact CE2-CD2 3.78Å; Y25-F72 HydrophobicContact CE2-CE2 4.05Å; F72-P74 HydrophobicContact CD1-CG 4.31Å; F72-P74 HydrophobicContact CE1-CB 4.37Å; F72-P74 HydrophobicContact CE1-CG 3.66Å; F72-P74 HydrophobicContact CZ-CB 4.5Å; F72-P74 HydrophobicContact CZ-CG 4.25Å; F72-M82 HydrophobicContact CD2-CE 4.23Å; F72-M82 HydrophobicContact CE2-CB 4.39Å; F72-M82 HydrophobicContact CE2-CE 3.39Å; F72-M82 HydrophobicContact CZ-CB 4.19Å; F72-M82 HydrophobicContact CZ-CE 3.85Å; F72-M82 WeakPolarHBondContact CZ-O 3.19Å; F72-L85 HydrophobicContact CE1-CB 3.64Å; F72-L85 HydrophobicContact CE1-CD1 4.43Å; F72-L85 HydrophobicContact CZ-CB 4.01Å; F72-L85 HydrophobicContact CZ-CD1 4.23Å; F72-D86 WeakPolarHBondContact CD1-O 3.35Å; F72-K87 CarbonylContact O-C 3.58Å; F72-K87 WeakPolarHBondContact O-CA 3.25Å; F72-K87 WeakPolarHBondContact O-CG 3.44Å; F72-R88 HydrophobicContact CB-CB 3.93Å; F72-R88 HydrophobicContact CB-CG 3.96Å; F72-R88 HydrophobicContact CD1-CG 4.19Å; F72-R88 PolarHBondContact N-O 2.66Å; F72-R88 PolarHBondContact O-N 2.83Å; F72-M214 HydrophobicContact CB-CE 4.45Å; F72-M214 HydrophobicContact CD1-CE 3.88Å; F72-M214 HydrophobicContact CD2-CE 3.86Å; F72-M214 HydrophobicContact CE1-CE 4.06Å; F72-M214 HydrophobicContact CE2-CE 4.1Å; F72-M214 HydrophobicContact CG-CE 3.78Å; F72-M214 HydrophobicContact CZ-CE 4.19Å
73D95.4Very high95.8Very high32 Ų3255.2 Ų55.217%0.17130%0.297CS..  trans-105.8107.7172.5-161.2-31.3000111.4Y25 A75 D76 K87Y25-D73 VanDerWaalsContact OH-C 3.29Å; Y25-D73 WeakPolarHBondContact OH-CA 3.42Å; Y25-D73 PolarHBondContact OH-N 2.75Å; Y25-D73 PolarHBondContact OH-O 3.4Å; D73-A75 PolarHBondContact O-N 2.87Å; D73-A75 VanDerWaalsContact O-N 3.08Å; D73-A75 VanDerWaalsContact OD1-CB 3.31Å; D73-A75 WeakPolarHBondContact OD1-CB 3.36Å; D73-A75 PolarHBondContact OD1-N 2.82Å; D73-D76 PolarHBondContact O-N 2.89Å; D73-D76 VanDerWaalsContact O-N 3.09Å; D73-K87 WeakPolarHBondContact OD2-CE 3.16Å; D73-K87 IonicContact OD2-NZ 3.27Å; D73-K87 PolarHBondContact OD2-NZ 2.89Å
74P96.3Very high95.8Very high16 Ų1653.8 Ų53.810%0.10429%0.288CS..G310 helixtrans-53.1-29.5176.4-20.926000113.6F72 D76 N77 Q83 L85 K87F72-P74 HydrophobicContact CD1-CG 4.31Å; F72-P74 HydrophobicContact CE1-CB 4.37Å; F72-P74 HydrophobicContact CE1-CG 3.66Å; F72-P74 HydrophobicContact CZ-CB 4.5Å; F72-P74 HydrophobicContact CZ-CG 4.25Å; P74-D76 VanDerWaalsContact C-N 3.28Å; P74-D76 PolarHBondContact O-N 3Å; P74-N77 WeakPolarHBondContact O-CB 3.26Å; P74-N77 PolarHBondContact O-N 2.78Å; P74-Q83 WeakPolarHBondContact O-CG 3.32Å; P74-L85 WeakPolarHBondContact CG-O 3.25Å; P74-K87 HydrophobicContact CG-CB 4.45Å
75A94.8Very high95.8Very high82 Ų8253.3 Ų53.368%0.67829%0.285SS*.G310 helixtrans-69.4-24.7-177.800000113.6D73D73-A75 PolarHBondContact O-N 2.87Å; D73-A75 VanDerWaalsContact O-N 3.08Å; D73-A75 VanDerWaalsContact OD1-CB 3.31Å; D73-A75 WeakPolarHBondContact OD1-CB 3.36Å; D73-A75 PolarHBondContact OD1-N 2.82Å
76D92.2Very high95.7Very high99 Ų9954.6 Ų54.653%0.52929%0.286SS..G310 helixtrans-94.96.3-179.8-65.3-22.3000112.4Y25 D73 P74Y25-D76 HydrophobicContact CE1-CB 3.86Å; D73-D76 PolarHBondContact O-N 2.89Å; D73-D76 VanDerWaalsContact O-N 3.09Å; P74-D76 VanDerWaalsContact C-N 3.28Å; P74-D76 PolarHBondContact O-N 3Å
77N94.2Very high95.7Very high2 Ų257.6 Ų57.61%0.01130%0.295CS..  trans-99.7138.3-176.1-154.8-70.1000111.8R23 G24 Y25 P74 D79 M82 Q83R23-N77 PolarHBondContact O-ND2 2.96Å; R23-N77 PolarHBondContact O-OD1 2.98Å; G24-N77 WeakPolarHBondContact CA-OD1 3.4Å; Y25-N77 WeakPolarHBondContact CE2-ND2 3.33Å; P74-N77 WeakPolarHBondContact O-CB 3.26Å; P74-N77 PolarHBondContact O-N 2.78Å; N77-D79 WeakPolarHBondContact OD1-CB 3.34Å; N77-D79 PolarHBondContact OD1-N 3.1Å; N77-M82 HydrophobicContact CB-CB 4.27Å; N77-M82 VanDerWaalsContact CG-CB 3.49Å; N77-M82 WeakPolarHBondContact OD1-CB 3.17Å; N77-Q83 HydrophobicContact CB-CG 4.39Å; N77-Q83 WeakPolarHBondContact O-CG 3.42Å; N77-Q83 PolarHBondContact O-NE2 2.73Å
78D94.2Very high95.9Very high120 Ų12052.7 Ų52.764%0.64228%0.276SS*.SBendtrans-85.1-16.5176.8-83.60.6000113.7G24 N26G24-D78 PolarHBondContact O-N 2.98Å; N26-D78 VanDerWaalsContact ND2-CG 3.3Å; N26-D78 PolarHBondContact ND2-OD2 2.9Å
79D95.9Very high96Very high27 Ų2754.2 Ų54.214%0.14429%0.285CS..  trans-85.6118.7-179.9-169.9-70000111.3R23 N77 A81 M82 Q83R23-D79 IonicContact CZ-OD2 3.58Å; R23-D79 IonicContact NE-OD2 2.96Å; R23-D79 PolarHBondContact NE-OD2 2.89Å; R23-D79 IonicContact NH1-OD2 3.95Å; R23-D79 IonicContact NH2-OD2 2.66Å; R23-D79 PolarHBondContact NH2-OD2 3.06Å; N77-D79 WeakPolarHBondContact OD1-CB 3.34Å; N77-D79 PolarHBondContact OD1-N 3.1Å; D79-A81 VanDerWaalsContact C-N 3.26Å; D79-A81 PolarHBondContact O-N 3.25Å; D79-A81 WeakPolarHBondContact OD1-CA 3.44Å; D79-A81 VanDerWaalsContact OD1-CB 3.26Å; D79-A81 WeakPolarHBondContact OD1-CB 3.4Å; D79-A81 PolarHBondContact OD1-N 2.81Å; D79-M82 HydrophobicContact CB-CB 3.98Å; D79-M82 HydrophobicContact CB-CG 3.67Å; D79-M82 WeakPolarHBondContact O-CB 3.45Å; D79-M82 PolarHBondContact O-N 3.46Å; D79-M82 VanDerWaalsContact O-N 3.09Å; D79-M82 PolarHBondContact OD1-N 3.05Å; D79-Q83 WeakPolarHBondContact O-CG 3.4Å; D79-Q83 PolarHBondContact O-N 2.85Å
80Y96.5Very high96.2Very high158 Ų15851.1 Ų51.162%0.6227%0.266SS*.THydrogen-bonded Turntrans-56.7-36.7-178.8179.1-95.9000113.6Q83 Q84Y80-Q83 WeakPolarHBondContact O-CB 3.18Å; Y80-Q83 PolarHBondContact O-N 3.21Å; Y80-Q84 HydrophobicContact CE1-CG 4.21Å; Y80-Q84 WeakPolarHBondContact O-CG 3.43Å; Y80-Q84 PolarHBondContact O-N 3.33Å; Y80-Q84 PolarHBondContact O-NE2 2.94Å
81A97.7Very high96.4Very high17 Ų1749.6 Ų49.614%0.1426%0.258CS..THydrogen-bonded Turntrans-69.5-40.517900000110.9D79 Q83 Q84 S167 L169D79-A81 VanDerWaalsContact C-N 3.26Å; D79-A81 PolarHBondContact O-N 3.25Å; D79-A81 WeakPolarHBondContact OD1-CA 3.44Å; D79-A81 VanDerWaalsContact OD1-CB 3.26Å; D79-A81 WeakPolarHBondContact OD1-CB 3.4Å; D79-A81 PolarHBondContact OD1-N 2.81Å; A81-Q83 VanDerWaalsContact C-N 3.34Å; A81-Q84 WeakPolarHBondContact O-CB 3.43Å; A81-Q84 PolarHBondContact O-N 2.57Å; A81-Q84 VanDerWaalsContact O-N 3.12Å; A81-S167 WeakPolarHBondContact CB-O 3.41Å; A81-S167 WeakPolarHBondContact O-CB 3.31Å; A81-L169 HydrophobicContact CB-CD1 4.26Å; A81-L169 HydrophobicContact CB-CD2 4.12Å; A81-L169 HydrophobicContact CB-CG 3.98Å
82M97.6Very high96.6Very high0 Ų047.5 Ų47.50%025%0.252CS..G310 helixtrans-64.3-38.1173.9-60.5-65.5-68.400111.7R23 F72 N77 D79 Q84 L85 L169 M214R23-M82 HydrophobicContact CB-CE 4.44Å; R23-M82 HydrophobicContact CB-CG 4.32Å; R23-M82 HydrophobicContact CB-SD 4.28Å; R23-M82 HydrophobicContact CG-CG 4.48Å; F72-M82 HydrophobicContact CD2-CE 4.23Å; F72-M82 HydrophobicContact CE2-CB 4.39Å; F72-M82 HydrophobicContact CE2-CE 3.39Å; F72-M82 HydrophobicContact CZ-CB 4.19Å; F72-M82 HydrophobicContact CZ-CE 3.85Å; F72-M82 WeakPolarHBondContact CZ-O 3.19Å; N77-M82 HydrophobicContact CB-CB 4.27Å; N77-M82 VanDerWaalsContact CG-CB 3.49Å; N77-M82 WeakPolarHBondContact OD1-CB 3.17Å; D79-M82 HydrophobicContact CB-CB 3.98Å; D79-M82 HydrophobicContact CB-CG 3.67Å; D79-M82 WeakPolarHBondContact O-CB 3.45Å; D79-M82 PolarHBondContact O-N 3.46Å; D79-M82 VanDerWaalsContact O-N 3.09Å; D79-M82 PolarHBondContact OD1-N 3.05Å; M82-Q84 PolarHBondContact O-N 2.92Å; M82-L85 HydrophobicContact CE-CD1 4.11Å; M82-L85 WeakPolarHBondContact O-CB 3.37Å; M82-L85 PolarHBondContact O-N 2.93Å; M82-L85 HydrophobicContact SD-CD1 3.88Å; M82-L169 HydrophobicContact SD-CD1 3.94Å; M82-M214 HydrophobicContact CE-CB 3.85Å; M82-M214 HydrophobicContact CE-CE 4.19Å; M82-M214 HydrophobicContact CE-CG 4.14Å; M82-M214 HydrophobicContact SD-CB 4.44Å
83Q97.8Very high96.8Very high80 Ų8047.7 Ų47.737%0.37425%0.253SS..G310 helixtrans-58.6-20.1173.7-70.8174.2-8.400113.3P74 N77 D79 Y80 A81P74-Q83 WeakPolarHBondContact O-CG 3.32Å; N77-Q83 HydrophobicContact CB-CG 4.39Å; N77-Q83 WeakPolarHBondContact O-CG 3.42Å; N77-Q83 PolarHBondContact O-NE2 2.73Å; D79-Q83 WeakPolarHBondContact O-CG 3.4Å; D79-Q83 PolarHBondContact O-N 2.85Å; Y80-Q83 WeakPolarHBondContact O-CB 3.18Å; Y80-Q83 PolarHBondContact O-N 3.21Å; A81-Q83 VanDerWaalsContact C-N 3.34Å
84Q98Very high96.9Very high54 Ų5448.1 Ų48.125%0.25226%0.261SS..G310 helixtrans-91.83.8175.4-51.2-49.3-67.100113.3Y80 A81 M82 R166Y80-Q84 HydrophobicContact CE1-CG 4.21Å; Y80-Q84 WeakPolarHBondContact O-CG 3.43Å; Y80-Q84 PolarHBondContact O-N 3.33Å; Y80-Q84 PolarHBondContact O-NE2 2.94Å; A81-Q84 WeakPolarHBondContact O-CB 3.43Å; A81-Q84 PolarHBondContact O-N 2.57Å; A81-Q84 VanDerWaalsContact O-N 3.12Å; M82-Q84 PolarHBondContact O-N 2.92Å; Q84-R166 HydrophobicContact CB-CG 4.24Å; Q84-R166 PolarHBondContact O-NE 2.89Å; Q84-R166 PolarHBondContact O-NH2 3.4Å
85L98.3Very high97Very high6 Ų648.2 Ų48.23%0.03127%0.265CS..SBendtrans-86.8161.3175.4-61.7-177.6000110.9F72 P74 M82 I159 E163 L169 M214F72-L85 HydrophobicContact CE1-CB 3.64Å; F72-L85 HydrophobicContact CE1-CD1 4.43Å; F72-L85 HydrophobicContact CZ-CB 4.01Å; F72-L85 HydrophobicContact CZ-CD1 4.23Å; P74-L85 WeakPolarHBondContact CG-O 3.25Å; M82-L85 HydrophobicContact CE-CD1 4.11Å; M82-L85 WeakPolarHBondContact O-CB 3.37Å; M82-L85 PolarHBondContact O-N 2.93Å; M82-L85 HydrophobicContact SD-CD1 3.88Å; L85-I159 HydrophobicContact CD1-CD1 4.41Å; L85-I159 HydrophobicContact CD2-CG1 4.47Å; L85-I159 HydrophobicContact CD2-CG2 4.07Å; L85-E163 HydrophobicContact CD2-CB 3.72Å; L85-E163 HydrophobicContact CD2-CG 4.16Å; L85-L169 HydrophobicContact CD1-CD1 3.88Å; L85-L169 HydrophobicContact CD2-CD1 4.18Å; L85-L169 HydrophobicContact CG-CD1 4.23Å; L85-M214 HydrophobicContact CD1-CE 3.94Å; L85-M214 HydrophobicContact CD1-CG 3.7Å; L85-M214 HydrophobicContact CD1-SD 4.04Å
86D98.1Very high97.2Very high70 Ų7047.4 Ų47.437%0.37425%0.252SS..PPolyproline II helixtrans-76144.4176-70.8-36.5000109.8F72 R88 E163 R166F72-D86 WeakPolarHBondContact CD1-O 3.35Å; D86-R88 PolarHBondContact O-NE 2.8Å; D86-E163 WeakPolarHBondContact CB-OE1 3.33Å; D86-E163 PolarHBondContact N-OE1 3.16Å; D86-R166 IonicContact OD1-CZ 3.41Å; D86-R166 VanDerWaalsContact OD1-CZ 3.27Å; D86-R166 IonicContact OD1-NH1 3.73Å; D86-R166 PolarHBondContact OD1-NH1 2.93Å; D86-R166 IonicContact OD1-NH2 3.87Å; D86-R166 PolarHBondContact OD1-NH2 3.19Å; D86-R166 IonicContact OD2-NH1 3.06Å; D86-R166 IonicContact OD2-NH2 3.4Å
87K97.9Very high97.5Very high93 Ų9342.8 Ų42.840%0.40423%0.227SC..PPolyproline II helixtrans-63.5138.1175.8178.7168.3-177.1162.40110.9F72 D73 P74 D89F72-K87 CarbonylContact O-C 3.58Å; F72-K87 WeakPolarHBondContact O-CA 3.25Å; F72-K87 WeakPolarHBondContact O-CG 3.44Å; D73-K87 WeakPolarHBondContact OD2-CE 3.16Å; D73-K87 IonicContact OD2-NZ 3.27Å; D73-K87 PolarHBondContact OD2-NZ 2.89Å; P74-K87 HydrophobicContact CG-CB 4.45Å; K87-D89 WeakPolarHBondContact CE-OD1 3.32Å
88R97.9Very high97.8Very high26 Ų2647.5 Ų47.510%0.09825%0.245CC..BIsolated β-bridgetrans-113.2118.6173.2-45.3-53.9172.3139.6-7.4109.2E71 F72 D86 Y155 Y156 E163E71-R88 CarbonylContact C-O 3.51Å; E71-R88 VanDerWaalsContact CA-O 3.31Å; E71-R88 WeakPolarHBondContact CA-O 3.32Å; F72-R88 HydrophobicContact CB-CB 3.93Å; F72-R88 HydrophobicContact CB-CG 3.96Å; F72-R88 HydrophobicContact CD1-CG 4.19Å; F72-R88 PolarHBondContact N-O 2.66Å; F72-R88 PolarHBondContact O-N 2.83Å; D86-R88 PolarHBondContact O-NE 2.8Å; R88-Y155 HydrophobicContact CB-CD1 4.41Å; R88-Y155 HydrophobicContact CB-CE1 3.8Å; R88-Y155 WeakPolarHBondContact CD-O 3.38Å; R88-Y155 WeakPolarHBondContact CG-O 3.42Å; R88-Y155 PolarHBondContact NE-O 2.73Å; R88-Y155 PolarHBondContact NH1-O 2.8Å; R88-Y156 HydrophobicContact CB-CD1 4.04Å; R88-Y156 HydrophobicContact CB-CE1 4.31Å; R88-E163 IonicContact CZ-OE1 3.89Å; R88-E163 VanDerWaalsContact NH2-CD 3.33Å; R88-E163 IonicContact NH2-OE1 3.68Å; R88-E163 PolarHBondContact NH2-OE1 3.34Å; R88-E163 IonicContact NH2-OE2 3.09Å; R88-E163 PolarHBondContact NH2-OE2 2.9Å
89D97.7Very high97.9Very high70 Ų7042.3 Ų42.337%0.37422%0.216SC..  trans-91.6133.8-174.6-69.7-56.4000110.8K87 N118 Y155 Y156K87-D89 WeakPolarHBondContact CE-OD1 3.32Å; D89-N118 WeakPolarHBondContact CB-ND2 3.46Å; D89-N118 PolarHBondContact O-ND2 2.85Å; D89-N118 VanDerWaalsContact O-ND2 3.09Å; D89-Y155 PolarHBondContact N-OH 2.88Å; D89-Y156 PolarHBondContact O-OH 2.61Å
90S96.4Very high98.1Very high21 Ų2143.1 Ų43.115%0.14722%0.219CC..  trans-52.5150.7163.558.90000111.5W67 M68 L70 N118W67-S90 WeakPolarHBondContact CZ2-OG 3.28Å; M68-S90 WeakPolarHBondContact O-CA 3.32Å; M68-S90 WeakPolarHBondContact O-CB 3.24Å; L70-S90 WeakPolarHBondContact O-CA 3.33Å; L70-S90 PolarHBondContact O-N 2.75Å; S90-N118 PolarHBondContact O-ND2 2.88Å
91T98.2Very high98.1Very high0 Ų038.7 Ų38.70%020%0.204CC..EExtended strand (participates in β ladder)trans-134.4162.2-172.6-167.80000113.9M68 M93 D114 L116M68-T91 HydrophobicContact CB-CG2 4.1Å; M68-T91 PolarHBondContact N-O 2.88Å; M68-T91 PolarHBondContact O-N 2.91Å; M68-T91 VanDerWaalsContact O-N 3.13Å; T91-M93 HydrophobicContact CG2-CG 4.42Å; T91-M93 HydrophobicContact CG2-SD 3.52Å; T91-M93 VanDerWaalsContact CG2-SD 3.52Å; T91-D114 PolarHBondContact OG1-OD1 2.79Å; T91-L116 WeakPolarHBondContact OG1-CB 3.34Å
92A98.3Very high98.1Very high24 Ų2440.7 Ų40.720%0.19821%0.21CC..EExtended strand (participates in β ladder)trans-89.1138.5164.900000110.1W67 V115 L116W67-A92 HydrophobicContact CE3-CB 4.05Å; W67-A92 HydrophobicContact CZ3-CB 4.09Å; A92-V115 HydrophobicContact CB-CG2 3.9Å; A92-V115 VanDerWaalsContact O-CG2 3.32Å; A92-V115 WeakPolarHBondContact O-CG2 3.3Å; A92-V115 PolarHBondContact O-N 2.81Å; A92-L116 HydrophobicContact CB-CD1 3.95Å; A92-L116 HydrophobicContact CB-CD2 4.36Å; A92-L116 HydrophobicContact CB-CG 3.93Å
93M98.6Very high98Very high4 Ų452.1 Ų52.12%0.0225%0.253CS..EExtended strand (participates in β ladder)trans-116141178.1-52-64.6-70.300109.6A65 S66 M68 T91 A112 A113 D114 V123A65-M93 CarbonylContact C-O 3.48Å; A65-M93 VanDerWaalsContact CA-O 3.27Å; A65-M93 WeakPolarHBondContact CA-O 3.22Å; S66-M93 PolarHBondContact N-O 3.17Å; S66-M93 PolarHBondContact O-N 2.81Å; M68-M93 HydrophobicContact CB-CG 3.89Å; M68-M93 HydrophobicContact CB-SD 4.37Å; T91-M93 HydrophobicContact CG2-CG 4.42Å; T91-M93 HydrophobicContact CG2-SD 3.52Å; T91-M93 VanDerWaalsContact CG2-SD 3.52Å; M93-A112 HydrophobicContact CB-CB 3.94Å; M93-A112 VanDerWaalsContact CE-O 3.24Å; M93-A112 WeakPolarHBondContact CE-O 3.49Å; M93-A113 CarbonylContact C-O 3.51Å; M93-A113 VanDerWaalsContact CA-O 3.25Å; M93-A113 WeakPolarHBondContact CA-O 3.37Å; M93-A113 VanDerWaalsContact CE-C 3.45Å; M93-D114 HydrophobicContact SD-CB 4.15Å; M93-V123 HydrophobicContact CE-CB 4.38Å; M93-V123 HydrophobicContact CE-CG2 4.01Å
94A98.8Very high97.8Very high41 Ų4155.3 Ų55.334%0.33926%0.262SS..EExtended strand (participates in β ladder)trans-125.8143.2170.800000110.9T64 A112 A113 V115T64-A94 CarbonylContact O-C 3.55Å; T64-A94 WeakPolarHBondContact O-CA 3.25Å; A94-A112 CarbonylContact O-C 3.5Å; A94-A112 VanDerWaalsContact O-CA 3.26Å; A94-A112 WeakPolarHBondContact O-CA 3.43Å; A94-A113 PolarHBondContact N-O 2.86Å; A94-A113 PolarHBondContact O-N 2.88Å; A94-V115 HydrophobicContact CB-CG1 3.55Å
95G98.8Very high97.8Very high18 Ų1852.9 Ų52.919%0.18625%0.251CS..EExtended strand (participates in β ladder)trans-169.1-159.2-168.900000116.3L63 T64 A111L63-G95 CarbonylContact C-O 3.55Å; L63-G95 WeakPolarHBondContact CA-O 3.37Å; T64-G95 PolarHBondContact N-O 2.95Å; T64-G95 PolarHBondContact O-N 3.16Å; T64-G95 PolarHBondContact OG1-O 2.86Å; G95-A111 CarbonylContact C-O 3.48Å; G95-A111 WeakPolarHBondContact CA-O 3.45Å
96V98.8Very high97.8Very high66 Ų6653.4 Ų53.440%0.426%0.255SS..EExtended strand (participates in β ladder)trans-129.5148.4174.6-650000110.5S62 L63 T64 S110 A111S62-V96 CarbonylContact O-C 3.53Å; S62-V96 VanDerWaalsContact O-CA 3.25Å; S62-V96 WeakPolarHBondContact O-CA 3.36Å; L63-V96 HydrophobicContact CD2-CG1 4.1Å; T64-V96 PolarHBondContact OG1-N 2.99Å; V96-S110 WeakPolarHBondContact O-CA 3.35Å; V96-S110 WeakPolarHBondContact O-CB 3.38Å; V96-A111 PolarHBondContact N-O 2.8Å; V96-A111 PolarHBondContact O-N 2.7Å
97A98.7Very high97.9Very high1 Ų151.6 Ų51.61%0.00825%0.246CC..EExtended strand (participates in β ladder)trans-134.9133.3170.600000110.6L61 S62 T64 Y99 A109L61-A97 WeakPolarHBondContact CA-O 3.14Å; S62-A97 PolarHBondContact N-O 2.91Å; S62-A97 PolarHBondContact O-N 3.41Å; T64-A97 HydrophobicContact CG2-CB 3.65Å; A97-Y99 HydrophobicContact CB-CD2 4.49Å; A97-Y99 HydrophobicContact CB-CE2 3.71Å; A97-A109 WeakPolarHBondContact CA-O 3.4Å
98W98.7Very high97.9Very high101 Ų10148.4 Ų48.438%0.38323%0.232SC..EExtended strand (participates in β ladder)trans-111.9127.8170.5173.862.8000109.6N59 E60 L61 H100 K108 A109N59-W98 WeakPolarHBondContact OD1-CZ2 3.28Å; N59-W98 PolarHBondContact OD1-NE1 3.1Å; N59-W98 VanDerWaalsContact OD1-NE1 3.17Å; E60-W98 CarbonylContact O-C 3.52Å; E60-W98 VanDerWaalsContact O-CA 3.28Å; E60-W98 WeakPolarHBondContact O-CA 3.31Å; L61-W98 HydrophobicContact CD1-CB 4.27Å; W98-H100 HydrophobicContact CH2-CB 3.68Å; W98-H100 HydrophobicContact CZ2-CB 3.57Å; W98-H100 AromaticContact CZ2-CG 3.95Å; W98-H100 AromaticContact CZ2-ND1 3.88Å; W98-H100 HydrophobicContact CZ3-CB 4.28Å; W98-K108 CarbonylContact O-C 3.58Å; W98-K108 WeakPolarHBondContact O-CA 3.4Å; W98-A109 HydrophobicContact CE3-CB 4.02Å; W98-A109 PolarHBondContact N-O 2.86Å; W98-A109 PolarHBondContact O-N 3.31Å
99Y98.3Very high97.9Very high12 Ų1248.8 Ų48.85%0.04724%0.241CC..EExtended strand (participates in β ladder)trans-113.6131.2173.2-58.8-95.4000109.6N59 E60 A97 T106 V107 K108 F129N59-Y99 CarbonylContact C-O 3.57Å; N59-Y99 VanDerWaalsContact CA-O 3.28Å; N59-Y99 WeakPolarHBondContact CA-O 3.26Å; E60-Y99 HydrophobicContact CB-CD2 4.41Å; E60-Y99 PolarHBondContact N-O 2.82Å; E60-Y99 PolarHBondContact O-N 2.74Å; A97-Y99 HydrophobicContact CB-CD2 4.49Å; A97-Y99 HydrophobicContact CB-CE2 3.71Å; Y99-T106 HydrophobicContact CD1-CG2 4.1Å; Y99-V107 CarbonylContact C-O 3.5Å; Y99-V107 WeakPolarHBondContact CA-O 3.34Å; Y99-K108 HydrophobicContact CD1-CB 3.96Å; Y99-K108 HydrophobicContact CD1-CG 4.09Å; Y99-K108 HydrophobicContact CE1-CB 3.96Å; Y99-K108 HydrophobicContact CE1-CD 3.78Å; Y99-K108 HydrophobicContact CE1-CG 3.69Å; Y99-F129 HydrophobicContact CD1-CE1 4.41Å; Y99-F129 HydrophobicContact CD1-CZ 4.14Å; Y99-F129 HydrophobicContact CE1-CE1 4.48Å; Y99-F129 HydrophobicContact CE1-CZ 4.31Å
100H98.6Very high98Very high43 Ų4346.6 Ų46.620%0.19923%0.231CC..EExtended strand (participates in β ladder)trans-115.2110.7172.5-17373.5000110.2K58 N59 W98 E102 T106 V107K58-H100 CarbonylContact O-C 3.59Å; K58-H100 VanDerWaalsContact O-CA 3.3Å; K58-H100 WeakPolarHBondContact O-CA 3.13Å; N59-H100 PolarHBondContact OD1-ND1 2.94Å; W98-H100 HydrophobicContact CH2-CB 3.68Å; W98-H100 HydrophobicContact CZ2-CB 3.57Å; W98-H100 AromaticContact CZ2-CG 3.95Å; W98-H100 AromaticContact CZ2-ND1 3.88Å; W98-H100 HydrophobicContact CZ3-CB 4.28Å; H100-E102 IonicContact NE2-OE1 3.88Å; H100-E102 PolarHBondContact NE2-OE1 2.9Å; H100-T106 CarbonylContact O-C 3.53Å; H100-T106 VanDerWaalsContact O-CA 3.24Å; H100-T106 WeakPolarHBondContact O-CA 3.45Å; H100-V107 HydrophobicContact CB-CB 4.33Å; H100-V107 PolarHBondContact N-O 3.28Å; H100-V107 PolarHBondContact O-N 2.63Å
101H97.6Very high98.1Very high65 Ų6547.4 Ų47.430%0.30124%0.239SC..EExtended strand (participates in β ladder)trans-94.4125-176.6-54.6-64000111.4K58 T106K58-H101 PolarHBondContact O-N 2.91Å; H101-T106 VanDerWaalsContact ND1-CG2 3.31Å; H101-T106 WeakPolarHBondContact ND1-CG2 3.46Å; H101-T106 PolarHBondContact ND1-OG1 2.82Å
102E97Very high98.1Very high60 Ų6048.2 Ų48.228%0.2825%0.246SC..EExtended strand (participates in β ladder)trans-129.6166.1171.1-75.2-66.7176.400110.8K58 H100 W104 G105K58-E102 WeakPolarHBondContact CD-OE1 3.33Å; K58-E102 IonicContact NZ-OE1 2.93Å; K58-E102 PolarHBondContact NZ-OE1 3.47Å; K58-E102 IonicContact NZ-OE2 3.43Å; K58-E102 PolarHBondContact NZ-OE2 2.8Å; H100-E102 IonicContact NE2-OE1 3.88Å; H100-E102 PolarHBondContact NE2-OE1 2.9Å; E102-W104 HydrophobicContact CB-CD2 4.13Å; E102-W104 HydrophobicContact CB-CG 4.16Å; E102-W104 HydrophobicContact CB-CZ2 4.11Å; E102-W104 VanDerWaalsContact CB-NE1 3.25Å; E102-W104 HydrophobicContact CG-CZ2 4.18Å; E102-W104 PolarHBondContact O-N 2.78Å; E102-G105 CarbonylContact C-O 3.51Å; E102-G105 WeakPolarHBondContact CA-O 3.24Å; E102-G105 PolarHBondContact N-O 2.87Å; E102-G105 PolarHBondContact O-N 2.86Å; E102-G105 VanDerWaalsContact O-N 3.14Å
103R94.9Very high98.2Very high240 Ų24049.1 Ų49.191%0.90625%0.253SS*.THydrogen-bonded Turntrans-60.5-29.9179-68.6-177.764.9-176.7-0.2113.1
104W95.2Very high98.2Very high147 Ų14749.6 Ų49.656%0.55726%0.256SS*.THydrogen-bonded Turntrans-86.4-11.4-178.356.8-101.4000113.1E102 V107 V128 H130E102-W104 HydrophobicContact CB-CD2 4.13Å; E102-W104 HydrophobicContact CB-CG 4.16Å; E102-W104 HydrophobicContact CB-CZ2 4.11Å; E102-W104 VanDerWaalsContact CB-NE1 3.25Å; E102-W104 HydrophobicContact CG-CZ2 4.18Å; E102-W104 PolarHBondContact O-N 2.78Å; W104-V107 HydrophobicContact CH2-CG2 3.63Å; W104-V107 HydrophobicContact CZ2-CG2 4.47Å; W104-V107 HydrophobicContact CZ3-CG2 4.42Å; W104-V128 HydrophobicContact CH2-CG2 4.3Å; W104-V128 HydrophobicContact CZ3-CG2 3.58Å; W104-H130 VanDerWaalsContact C-ND1 3.3Å; W104-H130 PolarHBondContact O-ND1 2.83Å
105G97.7Very high98.1Very high2 Ų251.4 Ų51.42%0.02126%0.262CS..EExtended strand (participates in β ladder)trans157.3179.3-173.100000113.4E102 F129 H130E102-G105 CarbonylContact C-O 3.51Å; E102-G105 WeakPolarHBondContact CA-O 3.24Å; E102-G105 PolarHBondContact N-O 2.87Å; E102-G105 PolarHBondContact O-N 2.86Å; E102-G105 VanDerWaalsContact O-N 3.14Å; G105-F129 CarbonylContact C-O 3.58Å; G105-F129 WeakPolarHBondContact CA-O 3.29Å; G105-H130 PolarHBondContact N-ND1 3.47Å
106T98.4Very high98.1Very high18 Ų1854.7 Ų54.711%0.1128%0.275CS..EExtended strand (participates in β ladder)trans-119.7133.5174-62.20000108.9Y99 H100 H101 V128 F129Y99-T106 HydrophobicContact CD1-CG2 4.1Å; H100-T106 CarbonylContact O-C 3.53Å; H100-T106 VanDerWaalsContact O-CA 3.24Å; H100-T106 WeakPolarHBondContact O-CA 3.45Å; H101-T106 VanDerWaalsContact ND1-CG2 3.31Å; H101-T106 WeakPolarHBondContact ND1-CG2 3.46Å; H101-T106 PolarHBondContact ND1-OG1 2.82Å; T106-V128 CarbonylContact O-C 3.5Å; T106-V128 WeakPolarHBondContact O-CA 3.46Å; T106-F129 HydrophobicContact CG2-CE1 3.83Å; T106-F129 HydrophobicContact CG2-CE2 3.95Å; T106-F129 HydrophobicContact CG2-CZ 3.39Å; T106-F129 PolarHBondContact N-O 2.87Å; T106-F129 PolarHBondContact O-N 2.8Å
107V98.8Very high98Very high32 Ų3257.2 Ų57.219%0.19429%0.287CS..EExtended strand (participates in β ladder)trans-95.2135.3167-179.30000108.1Y99 H100 W104 L126 S127 V128Y99-V107 CarbonylContact C-O 3.5Å; Y99-V107 WeakPolarHBondContact CA-O 3.34Å; H100-V107 HydrophobicContact CB-CB 4.33Å; H100-V107 PolarHBondContact N-O 3.28Å; H100-V107 PolarHBondContact O-N 2.63Å; W104-V107 HydrophobicContact CH2-CG2 3.63Å; W104-V107 HydrophobicContact CZ2-CG2 4.47Å; W104-V107 HydrophobicContact CZ3-CG2 4.42Å; V107-L126 HydrophobicContact CG1-CD1 3.99Å; V107-S127 CarbonylContact C-O 3.5Å; V107-S127 VanDerWaalsContact CA-O 3.32Å; V107-S127 WeakPolarHBondContact CA-O 3.25Å; V107-V128 HydrophobicContact CG2-CG2 4.49Å
108K98.5Very high98Very high26 Ų2659.2 Ų59.211%0.11330%0.297CS..EExtended strand (participates in β ladder)trans-116.1131.1170.5175.8-168.7-179.8-163.40108.6W98 Y99 S110 E125 L126 S127 F129W98-K108 CarbonylContact O-C 3.58Å; W98-K108 WeakPolarHBondContact O-CA 3.4Å; Y99-K108 HydrophobicContact CD1-CB 3.96Å; Y99-K108 HydrophobicContact CD1-CG 4.09Å; Y99-K108 HydrophobicContact CE1-CB 3.96Å; Y99-K108 HydrophobicContact CE1-CD 3.78Å; Y99-K108 HydrophobicContact CE1-CG 3.69Å; K108-S110 WeakPolarHBondContact CE-OG 3.28Å; K108-E125 WeakPolarHBondContact CE-OE2 3.39Å; K108-E125 IonicContact NZ-OE1 3.8Å; K108-E125 IonicContact NZ-OE2 2.84Å; K108-E125 PolarHBondContact NZ-OE2 2.91Å; K108-L126 WeakPolarHBondContact O-CA 3.13Å; K108-S127 PolarHBondContact N-O 2.89Å; K108-S127 PolarHBondContact O-N 3.39Å; K108-F129 HydrophobicContact CB-CE1 4.05Å
109A98.9Very high97.9Very high34 Ų3454.8 Ų54.828%0.28128%0.282SS..EExtended strand (participates in β ladder)trans-120.7129162.700000108.4A97 W98 E125 L126A97-A109 WeakPolarHBondContact CA-O 3.4Å; W98-A109 HydrophobicContact CE3-CB 4.02Å; W98-A109 PolarHBondContact N-O 2.86Å; W98-A109 PolarHBondContact O-N 3.31Å; A109-E125 CarbonylContact C-O 3.55Å; A109-E125 VanDerWaalsContact CA-O 3.3Å; A109-E125 WeakPolarHBondContact CA-O 3.45Å; A109-L126 HydrophobicContact CB-CD1 4.24Å
110S98.8Very high97.9Very high24 Ų2459.2 Ų59.217%0.16831%0.306CS..EExtended strand (participates in β ladder)trans-141.1156176.5530000112.4V96 K108 G124 E125V96-S110 WeakPolarHBondContact O-CA 3.35Å; V96-S110 WeakPolarHBondContact O-CB 3.38Å; K108-S110 WeakPolarHBondContact CE-OG 3.28Å; S110-G124 CarbonylContact O-C 3.57Å; S110-G124 WeakPolarHBondContact O-CA 3.44Å; S110-E125 PolarHBondContact N-O 3.28Å; S110-E125 PolarHBondContact O-N 3.32Å; S110-E125 WeakPolarHBondContact OG-CB 3.2Å
111A98.9Very high97.9Very high37 Ų3757.2 Ų57.231%0.30630%0.298SS..EExtended strand (participates in β ladder)trans-141.1133.3170.300000108.2G95 V96 W122 V123G95-A111 CarbonylContact C-O 3.48Å; G95-A111 WeakPolarHBondContact CA-O 3.45Å; V96-A111 PolarHBondContact N-O 2.8Å; V96-A111 PolarHBondContact O-N 2.7Å; A111-W122 HydrophobicContact CB-CE3 4.38Å; A111-W122 HydrophobicContact CB-CZ3 4.41Å; A111-V123 CarbonylContact C-O 3.55Å; A111-V123 WeakPolarHBondContact CA-O 3.17Å
112A98.8Very high97.9Very high17 Ų1759.1 Ų59.114%0.1430%0.302CS..EExtended strand (participates in β ladder)trans-140.6140.417800000110.5M93 A94 W122 V123M93-A112 HydrophobicContact CB-CB 3.94Å; M93-A112 VanDerWaalsContact CE-O 3.24Å; M93-A112 WeakPolarHBondContact CE-O 3.49Å; A94-A112 CarbonylContact O-C 3.5Å; A94-A112 VanDerWaalsContact O-CA 3.26Å; A94-A112 WeakPolarHBondContact O-CA 3.43Å; A112-W122 CarbonylContact O-C 3.59Å; A112-W122 VanDerWaalsContact O-CA 3.24Å; A112-W122 WeakPolarHBondContact O-CA 3.28Å; A112-W122 WeakPolarHBondContact O-CB 3.45Å; A112-V123 PolarHBondContact N-O 3.39Å; A112-V123 PolarHBondContact O-N 2.68Å
113A98.9Very high98Very high44 Ų4456.9 Ų56.936%0.36429%0.293SS..EExtended strand (participates in β ladder)trans-110.4151.8179.300000110.9M93 A94 G121 W122M93-A113 CarbonylContact C-O 3.51Å; M93-A113 VanDerWaalsContact CA-O 3.25Å; M93-A113 WeakPolarHBondContact CA-O 3.37Å; M93-A113 VanDerWaalsContact CE-C 3.45Å; A94-A113 PolarHBondContact N-O 2.86Å; A94-A113 PolarHBondContact O-N 2.88Å; A113-G121 WeakPolarHBondContact CA-O 3.39Å; A113-W122 HydrophobicContact CB-CB 4.06Å
114D98.6Very high98.2Very high14 Ų1445.9 Ų45.98%0.07525%0.253CS..EExtended strand (participates in β ladder)trans-59132.9170.8-179.39.2000110.4T91 M93 L116 D117 N118 S119 N120 G121T91-D114 PolarHBondContact OG1-OD1 2.79Å; M93-D114 HydrophobicContact SD-CB 4.15Å; D114-L116 PolarHBondContact OD1-N 3.21Å; D114-D117 PolarHBondContact OD1-N 2.88Å; D114-N118 WeakPolarHBondContact OD2-CA 3.09Å; D114-N118 PolarHBondContact OD2-N 2.83Å; D114-S119 PolarHBondContact OD2-N 2.79Å; D114-S119 PolarHBondContact OD2-OG 2.9Å; D114-N120 PolarHBondContact OD2-N 2.92Å; D114-N120 VanDerWaalsContact OD2-N 3.08Å; D114-G121 PolarHBondContact N-O 2.97Å
115V98.3Very high98.3Very high78 Ų7840.4 Ų40.447%0.47323%0.234SC..SBendtrans-118.94.4177.3-61.50000113.9A92 A94A92-V115 HydrophobicContact CB-CG2 3.9Å; A92-V115 VanDerWaalsContact O-CG2 3.32Å; A92-V115 WeakPolarHBondContact O-CG2 3.3Å; A92-V115 PolarHBondContact O-N 2.81Å; A94-V115 HydrophobicContact CB-CG1 3.55Å
116L98.1Very high98.4Very high87 Ų8744.9 Ų44.946%0.45526%0.257SS..SBendtrans-106.74173.9-56.2-176000112.9W67 T91 A92 D114 N118W67-L116 HydrophobicContact CH2-CD1 4.37Å; W67-L116 HydrophobicContact CZ3-CD1 4.04Å; T91-L116 WeakPolarHBondContact OG1-CB 3.34Å; A92-L116 HydrophobicContact CB-CD1 3.95Å; A92-L116 HydrophobicContact CB-CD2 4.36Å; A92-L116 HydrophobicContact CB-CG 3.93Å; D114-L116 PolarHBondContact OD1-N 3.21Å; L116-N118 PolarHBondContact O-N 2.89Å
117D96.8Very high98.4Very high119 Ų11944.3 Ų44.364%0.63625%0.254SS*.SBendtrans60.727.9178.7-54.5-28.9000114D114D114-D117 PolarHBondContact OD1-N 2.88Å
118N97.6Very high98.4Very high43 Ų4345 Ų4523%0.2326%0.258CS..SBendtrans-74-60.9176.4-74.5-5.4000110.7D89 S90 D114 L116 Y155D89-N118 WeakPolarHBondContact CB-ND2 3.46Å; D89-N118 PolarHBondContact O-ND2 2.85Å; D89-N118 VanDerWaalsContact O-ND2 3.09Å; S90-N118 PolarHBondContact O-ND2 2.88Å; D114-N118 WeakPolarHBondContact OD2-CA 3.09Å; D114-N118 PolarHBondContact OD2-N 2.83Å; L116-N118 PolarHBondContact O-N 2.89Å; N118-Y155 HydrophobicContact CB-CE1 4.2Å; N118-Y155 VanDerWaalsContact O-CD2 3.22Å; N118-Y155 WeakPolarHBondContact O-CD2 3.34Å; N118-Y155 WeakPolarHBondContact O-CE2 3.31Å
119S97.6Very high98.4Very high8 Ų846.3 Ų46.36%0.05626%0.264CS..SBendtrans-99-24.7177.870.40000113.1D114 G121 Y155D114-S119 PolarHBondContact OD2-N 2.79Å; D114-S119 PolarHBondContact OD2-OG 2.9Å; S119-G121 PolarHBondContact O-N 2.89Å; S119-G121 VanDerWaalsContact O-N 3.15Å; S119-G121 PolarHBondContact OG-N 2.79Å; S119-G121 VanDerWaalsContact OG-N 3.15Å; S119-Y155 VanDerWaalsContact CB-CB 3.49Å
120N97.2Very high98.4Very high105 Ų10548 Ų4856%0.56127%0.266SS*.  trans56.718.7-168-57.9-78.8000113.6D114D114-N120 PolarHBondContact OD2-N 2.92Å; D114-N120 VanDerWaalsContact OD2-N 3.08Å
121G98.5Very high98.3Very high2 Ų253.6 Ų53.62%0.02129%0.287CS..  trans-97.8-179.6-179.200000113.7A113 D114 S119 D149A113-G121 WeakPolarHBondContact CA-O 3.39Å; D114-G121 PolarHBondContact N-O 2.97Å; S119-G121 PolarHBondContact O-N 2.89Å; S119-G121 VanDerWaalsContact O-N 3.15Å; S119-G121 PolarHBondContact OG-N 2.79Å; S119-G121 VanDerWaalsContact OG-N 3.15Å; G121-D149 WeakPolarHBondContact CA-OD1 3.33Å
122W98.6Very high98.2Very high104 Ų10455.1 Ų55.139%0.39429%0.289SS..EExtended strand (participates in β ladder)trans-138.9154175.771-80.6000112.1A111 A112 A113 Y147 D149A111-W122 HydrophobicContact CB-CE3 4.38Å; A111-W122 HydrophobicContact CB-CZ3 4.41Å; A112-W122 CarbonylContact O-C 3.59Å; A112-W122 VanDerWaalsContact O-CA 3.24Å; A112-W122 WeakPolarHBondContact O-CA 3.28Å; A112-W122 WeakPolarHBondContact O-CB 3.45Å; A113-W122 HydrophobicContact CB-CB 4.06Å; W122-Y147 HydrophobicContact CD2-CE1 4.27Å; W122-Y147 AromaticContact CE2-CE1 3.65Å; W122-Y147 HydrophobicContact CE3-CD1 4.2Å; W122-Y147 HydrophobicContact CE3-CE1 4.35Å; W122-Y147 AromaticContact CH2-CD1 3.36Å; W122-Y147 HydrophobicContact CH2-CD1 3.36Å; W122-Y147 AromaticContact CH2-CE1 3.25Å; W122-Y147 HydrophobicContact CH2-CE1 3.25Å; W122-Y147 HydrophobicContact CH2-CG 4.47Å; W122-Y147 AromaticContact CZ2-CD1 3.78Å; W122-Y147 HydrophobicContact CZ2-CD1 3.78Å; W122-Y147 AromaticContact CZ2-CE1 3.14Å; W122-Y147 HydrophobicContact CZ2-CE1 3.14Å; W122-Y147 AromaticContact CZ3-CD1 3.6Å; W122-Y147 HydrophobicContact CZ3-CD1 3.6Å; W122-Y147 AromaticContact CZ3-CE1 3.88Å; W122-Y147 HydrophobicContact CZ3-CE1 3.88Å; W122-D149 VanDerWaalsContact CD1-CG 3.5Å; W122-D149 HydrophobicContact CD2-CB 4.47Å; W122-D149 HydrophobicContact CG-CB 4.25Å; W122-D149 PolarHBondContact N-OD1 2.99Å; W122-D149 PolarHBondContact O-N 2.68Å; W122-D149 VanDerWaalsContact O-N 3.15Å
123V98.8Very high98.1Very high14 Ų1459.7 Ų59.79%0.08531%0.307CS..EExtended strand (participates in β ladder)trans-121.7126.4-179.4177.30000109.4M68 M93 A111 A112 L146 Y147 Y148 F152M68-V123 HydrophobicContact CE-CG2 4.14Å; M93-V123 HydrophobicContact CE-CB 4.38Å; M93-V123 HydrophobicContact CE-CG2 4.01Å; A111-V123 CarbonylContact C-O 3.55Å; A111-V123 WeakPolarHBondContact CA-O 3.17Å; A112-V123 PolarHBondContact N-O 3.39Å; A112-V123 PolarHBondContact O-N 2.68Å; V123-L146 HydrophobicContact CG1-CD2 4.19Å; V123-Y147 CarbonylContact C-O 3.6Å; V123-Y147 VanDerWaalsContact CA-O 3.24Å; V123-Y147 WeakPolarHBondContact CA-O 3.24Å; V123-Y148 HydrophobicContact CB-CD1 4.25Å; V123-Y148 HydrophobicContact CG1-CD1 3.78Å; V123-Y148 HydrophobicContact CG1-CE1 3.7Å; V123-Y148 HydrophobicContact CG2-CD1 3.69Å; V123-Y148 HydrophobicContact CG2-CE1 4.06Å; V123-F152 HydrophobicContact CG2-CD1 4.36Å; V123-F152 HydrophobicContact CG2-CD2 3.59Å; V123-F152 HydrophobicContact CG2-CE1 4.34Å; V123-F152 HydrophobicContact CG2-CE2 3.57Å; V123-F152 HydrophobicContact CG2-CG 4Å; V123-F152 HydrophobicContact CG2-CZ 3.98Å
124G98.8Very high97.9Very high8 Ų862.4 Ų62.48%0.08232%0.315CS..EExtended strand (participates in β ladder)trans-97.5153.6168.500000111.5S110 L146 Y147S110-G124 CarbonylContact O-C 3.57Å; S110-G124 WeakPolarHBondContact O-CA 3.44Å; G124-L146 CarbonylContact O-C 3.46Å; G124-L146 WeakPolarHBondContact O-CA 3.29Å; G124-Y147 PolarHBondContact N-O 3.45Å; G124-Y147 PolarHBondContact O-N 2.97Å
125E98.7Very high97.8Very high32 Ų3265 Ų6515%0.1534%0.344CS..EExtended strand (participates in β ladder)trans-141.4134.8169.4-168.9-167.1158.100110K108 A109 S110 S127 V145 L146 Y181K108-E125 WeakPolarHBondContact CE-OE2 3.39Å; K108-E125 IonicContact NZ-OE1 3.8Å; K108-E125 IonicContact NZ-OE2 2.84Å; K108-E125 PolarHBondContact NZ-OE2 2.91Å; A109-E125 CarbonylContact C-O 3.55Å; A109-E125 VanDerWaalsContact CA-O 3.3Å; A109-E125 WeakPolarHBondContact CA-O 3.45Å; S110-E125 PolarHBondContact N-O 3.28Å; S110-E125 PolarHBondContact O-N 3.32Å; S110-E125 WeakPolarHBondContact OG-CB 3.2Å; E125-S127 VanDerWaalsContact OE1-CB 3.32Å; E125-S127 WeakPolarHBondContact OE1-CB 3.27Å; E125-S127 PolarHBondContact OE1-OG 2.8Å; E125-V145 WeakPolarHBondContact CA-O 3.39Å; E125-L146 HydrophobicContact CB-CD2 3.87Å; E125-L146 HydrophobicContact CG-CD2 3.74Å; E125-Y181 HydrophobicContact CG-CE1 4.36Å; E125-Y181 PolarHBondContact OE1-OH 2.89Å
126L98.9Very high97.7Very high97 Ų9768 Ų6851%0.50835%0.347SS..EExtended strand (participates in β ladder)trans-123119.9162.3-179.665.3000108.5V107 K108 A109 G144 V145V107-L126 HydrophobicContact CG1-CD1 3.99Å; K108-L126 WeakPolarHBondContact O-CA 3.13Å; A109-L126 HydrophobicContact CB-CD1 4.24Å; L126-G144 CarbonylContact O-C 3.5Å; L126-G144 WeakPolarHBondContact O-CA 3.24Å; L126-V145 HydrophobicContact CB-CG1 4.12Å; L126-V145 PolarHBondContact N-O 2.83Å; L126-V145 PolarHBondContact O-N 3.13Å
127S98.7Very high97.6Very high6 Ų666.3 Ų66.34%0.04234%0.338CS..EExtended strand (participates in β ladder)trans-140.7156.6-179.159.60000113.2V107 K108 E125 L143 Y181V107-S127 CarbonylContact C-O 3.5Å; V107-S127 VanDerWaalsContact CA-O 3.32Å; V107-S127 WeakPolarHBondContact CA-O 3.25Å; K108-S127 PolarHBondContact N-O 2.89Å; K108-S127 PolarHBondContact O-N 3.39Å; E125-S127 VanDerWaalsContact OE1-CB 3.32Å; E125-S127 WeakPolarHBondContact OE1-CB 3.27Å; E125-S127 PolarHBondContact OE1-OG 2.8Å; S127-L143 CarbonylContact C-O 3.59Å; S127-L143 VanDerWaalsContact CA-O 3.26Å; S127-L143 WeakPolarHBondContact CA-O 3.45Å; S127-L143 WeakPolarHBondContact CB-O 3.34Å; S127-Y181 WeakPolarHBondContact CB-OH 3.31Å
128V98.8Very high97.7Very high47 Ų4761.1 Ų61.129%0.28531%0.312SS..EExtended strand (participates in β ladder)trans-129.2130.7175.362.60000108.9W104 T106 V107 A142 L143W104-V128 HydrophobicContact CH2-CG2 4.3Å; W104-V128 HydrophobicContact CZ3-CG2 3.58Å; T106-V128 CarbonylContact O-C 3.5Å; T106-V128 WeakPolarHBondContact O-CA 3.46Å; V107-V128 HydrophobicContact CG2-CG2 4.49Å; V128-A142 CarbonylContact O-C 3.6Å; V128-A142 VanDerWaalsContact O-CA 3.25Å; V128-A142 WeakPolarHBondContact O-CA 3.25Å; V128-L143 HydrophobicContact CG1-CB 3.93Å; V128-L143 HydrophobicContact CG1-CD2 4.02Å; V128-L143 HydrophobicContact CG1-CG 4.29Å; V128-L143 PolarHBondContact N-O 2.83Å; V128-L143 PolarHBondContact O-N 2.9Å
129F98.5Very high97.7Very high52 Ų5260.8 Ų60.823%0.22831%0.309CS..EExtended strand (participates in β ladder)trans-143.4151.8-179.859-89.6000111.7Y99 G105 T106 K108 T140 P141 A142Y99-F129 HydrophobicContact CD1-CE1 4.41Å; Y99-F129 HydrophobicContact CD1-CZ 4.14Å; Y99-F129 HydrophobicContact CE1-CE1 4.48Å; Y99-F129 HydrophobicContact CE1-CZ 4.31Å; G105-F129 CarbonylContact C-O 3.58Å; G105-F129 WeakPolarHBondContact CA-O 3.29Å; T106-F129 HydrophobicContact CG2-CE1 3.83Å; T106-F129 HydrophobicContact CG2-CE2 3.95Å; T106-F129 HydrophobicContact CG2-CZ 3.39Å; T106-F129 PolarHBondContact N-O 2.87Å; T106-F129 PolarHBondContact O-N 2.8Å; K108-F129 HydrophobicContact CB-CE1 4.05Å; F129-T140 HydrophobicContact CB-CG2 4.16Å; F129-T140 HydrophobicContact CD2-CG2 4.07Å; F129-P141 VanDerWaalsContact CA-O 3.23Å; F129-P141 WeakPolarHBondContact CA-O 3.1Å; F129-P141 WeakPolarHBondContact CB-O 3.17Å; F129-A142 HydrophobicContact CB-CB 3.61Å
130H98Very high97.7Very high69 Ų6962 Ų6232%0.31932%0.316SS..  trans-135119.3-179.3-177.964000110.9W104 G105 M132 P141W104-H130 VanDerWaalsContact C-ND1 3.3Å; W104-H130 PolarHBondContact O-ND1 2.83Å; G105-H130 PolarHBondContact N-ND1 3.47Å; H130-M132 WeakPolarHBondContact CD2-CG 3.41Å; H130-M132 PolarHBondContact O-N 3.32Å; H130-P141 PolarHBondContact N-O 2.81Å; H130-P141 VanDerWaalsContact N-O 3.11Å; H130-P141 VanDerWaalsContact O-CD 3.22Å; H130-P141 WeakPolarHBondContact O-CD 3.18Å
131K96.2Very high97.8Very high143 Ų14359.1 Ų59.162%0.62230%0.304SS*.  trans-81.6111.3176.4-173.8-179.1-179.5-178.20109.9S138K131-S138 WeakPolarHBondContact CE-OG 3.45Å; K131-S138 WeakPolarHBondContact CG-OG 3.34Å
132M97.1Very high97.8Very high69 Ų6959.9 Ų59.934%0.3431%0.31SS..EExtended strand (participates in β ladder)trans-99.3132.2174.4-60.9-178.9-64.900110.3H130 S138 L139 P141H130-M132 WeakPolarHBondContact CD2-CG 3.41Å; H130-M132 PolarHBondContact O-N 3.32Å; M132-S138 WeakPolarHBondContact O-CA 3.45Å; M132-L139 HydrophobicContact CE-CB 4.14Å; M132-L139 PolarHBondContact N-O 3.29Å; M132-L139 PolarHBondContact O-N 2.83Å; M132-P141 HydrophobicContact CE-CG 3.71Å
133Q96.7Very high97.8Very high113 Ų11359.6 Ų59.653%0.52832%0.316SS..EExtended strand (participates in β ladder)trans-105.3114.9174.7-167.465.434.400110G135 R136 L137Q133-G135 PolarHBondContact NE2-O 3.25Å; Q133-R136 PolarHBondContact NE2-O 2.87Å; Q133-L137 PolarHBondContact NE2-O 2.75Å
134I96.1Very high97.8Very high101 Ų10159.3 Ų59.352%0.51832%0.316SS..EExtended strand (participates in β ladder)trans-115.688.6178.1-51.8176.5000108.1R136 L137 L139I134-R136 PolarHBondContact O-N 2.89Å; I134-R136 VanDerWaalsContact O-N 3.14Å; I134-L137 PolarHBondContact N-O 3.49Å; I134-L137 WeakPolarHBondContact O-CB 3.49Å; I134-L137 PolarHBondContact O-N 3.05Å; I134-L139 HydrophobicContact CD1-CD1 3.82Å
135G95.8Very high97.8Very high68 Ų6860.7 Ų60.770%0.70132%0.322SS*.THydrogen-bonded Turntrans61.7-116.4-171.900000110.7Q133Q133-G135 PolarHBondContact NE2-O 3.25Å
136R95.7Very high97.8Very high141 Ų14160.8 Ų60.853%0.53232%0.324SS..THydrogen-bonded Turntrans-84.1-23.7174.3-75.7-174.8158.3-172.4-5.7113.8Q133 I134 Y188 P189Q133-R136 PolarHBondContact NE2-O 2.87Å; I134-R136 PolarHBondContact O-N 2.89Å; I134-R136 VanDerWaalsContact O-N 3.14Å; R136-Y188 HydrophobicContact CB-CD2 4.31Å; R136-Y188 HydrophobicContact CB-CE2 3.84Å; R136-P189 HydrophobicContact CB-CG 4.35Å; R136-P189 WeakPolarHBondContact O-CD 3.47Å
137L97.4Very high97.8Very high51 Ų5158 Ų5827%0.26731%0.307SS..EExtended strand (participates in β ladder)trans-75.5126.5-17817866.2000109.9Q133 I134 L139 A186 Y188Q133-L137 PolarHBondContact NE2-O 2.75Å; I134-L137 PolarHBondContact N-O 3.49Å; I134-L137 WeakPolarHBondContact O-CB 3.49Å; I134-L137 PolarHBondContact O-N 3.05Å; L137-L139 HydrophobicContact CD1-CD2 4.09Å; L137-L139 HydrophobicContact CD2-CD1 4.04Å; L137-L139 HydrophobicContact CD2-CD2 3.97Å; L137-L139 HydrophobicContact CD2-CG 3.85Å; L137-L139 HydrophobicContact CG-CD2 4.05Å; L137-L139 HydrophobicContact CG-CG 3.94Å; L137-A186 HydrophobicContact CD1-CB 4.22Å; L137-Y188 HydrophobicContact CB-CD2 4.15Å; L137-Y188 HydrophobicContact CD1-CD2 4.38Å
138S97.4Very high97.8Very high11 Ų1159 Ų598%0.07731%0.309CS..EExtended strand (participates in β ladder)trans-101.1124.8165.2-176.40000108.8K131 M132 A186 K187K131-S138 WeakPolarHBondContact CE-OG 3.45Å; K131-S138 WeakPolarHBondContact CG-OG 3.34Å; M132-S138 WeakPolarHBondContact O-CA 3.45Å; S138-A186 CarbonylContact O-C 3.55Å; S138-A186 WeakPolarHBondContact O-CA 3.45Å; S138-K187 PolarHBondContact N-O 2.92Å; S138-K187 PolarHBondContact O-N 3.39Å
139L98.2Very high97.8Very high35 Ų3557.2 Ų57.218%0.18330%0.299CS..EExtended strand (participates in β ladder)trans-115.2131.7173.2-68.3-179.8000109.5M132 I134 L137 L184 T185 A186M132-L139 HydrophobicContact CE-CB 4.14Å; M132-L139 PolarHBondContact N-O 3.29Å; M132-L139 PolarHBondContact O-N 2.83Å; I134-L139 HydrophobicContact CD1-CD1 3.82Å; L137-L139 HydrophobicContact CD1-CD2 4.09Å; L137-L139 HydrophobicContact CD2-CD1 4.04Å; L137-L139 HydrophobicContact CD2-CD2 3.97Å; L137-L139 HydrophobicContact CD2-CG 3.85Å; L137-L139 HydrophobicContact CG-CD2 4.05Å; L137-L139 HydrophobicContact CG-CG 3.94Å; L139-L184 HydrophobicContact CB-CD1 4.41Å; L139-L184 HydrophobicContact CD2-CD1 4.5Å; L139-T185 CarbonylContact C-O 3.56Å; L139-T185 WeakPolarHBondContact CA-O 3.34Å; L139-A186 HydrophobicContact CD2-CB 3.6Å
140T98.1Very high97.8Very high33 Ų3358.6 Ų58.620%0.20231%0.306CS..EExtended strand (participates in β ladder)trans-126.687.6177.9-53.20000108.9F129 T185F129-T140 HydrophobicContact CB-CG2 4.16Å; F129-T140 HydrophobicContact CD2-CG2 4.07Å; T140-T185 PolarHBondContact N-O 3.42Å; T140-T185 PolarHBondContact O-N 3.46Å
141P98.4Very high97.8Very high46 Ų4659.5 Ų59.530%0.29931%0.313SS..EExtended strand (participates in β ladder)trans-64.8144.516327.4-37.5000110.8F129 H130 M132 S183 L184F129-P141 VanDerWaalsContact CA-O 3.23Å; F129-P141 WeakPolarHBondContact CA-O 3.1Å; F129-P141 WeakPolarHBondContact CB-O 3.17Å; H130-P141 PolarHBondContact N-O 2.81Å; H130-P141 VanDerWaalsContact N-O 3.11Å; H130-P141 VanDerWaalsContact O-CD 3.22Å; H130-P141 WeakPolarHBondContact O-CD 3.18Å; M132-P141 HydrophobicContact CE-CG 3.71Å; P141-S183 CarbonylContact C-O 3.48Å; P141-S183 WeakPolarHBondContact CA-O 3.47Å; P141-L184 HydrophobicContact CB-CD1 4.17Å
142A98.6Very high97.9Very high18 Ų1852.7 Ų52.715%0.14928%0.283CS..EExtended strand (participates in β ladder)trans-140.7149.5172.200000111.6V128 F129 V182 S183V128-A142 CarbonylContact O-C 3.6Å; V128-A142 VanDerWaalsContact O-CA 3.25Å; V128-A142 WeakPolarHBondContact O-CA 3.25Å; F129-A142 HydrophobicContact CB-CB 3.61Å; A142-V182 CarbonylContact O-C 3.55Å; A142-V182 WeakPolarHBondContact O-CA 3.46Å; A142-S183 WeakPolarHBondContact CB-OG 3.41Å; A142-S183 PolarHBondContact N-O 3.42Å; A142-S183 PolarHBondContact O-N 2.84Å
143L98.8Very high98Very high98 Ų9849.4 Ų49.451%0.51327%0.267SS..EExtended strand (participates in β ladder)trans-126.8137.3169.9160.775.7000106.4S127 V128 V182S127-L143 CarbonylContact C-O 3.59Å; S127-L143 VanDerWaalsContact CA-O 3.26Å; S127-L143 WeakPolarHBondContact CA-O 3.45Å; S127-L143 WeakPolarHBondContact CB-O 3.34Å; V128-L143 HydrophobicContact CG1-CB 3.93Å; V128-L143 HydrophobicContact CG1-CD2 4.02Å; V128-L143 HydrophobicContact CG1-CG 4.29Å; V128-L143 PolarHBondContact N-O 2.83Å; V128-L143 PolarHBondContact O-N 2.9Å; L143-V182 HydrophobicContact CD1-CG1 4.1Å
144G98.7Very high98.1Very high8 Ų847 Ų478%0.08226%0.258CS..EExtended strand (participates in β ladder)trans-159.4178.7174.300000113.8L126 P180 Y181L126-G144 CarbonylContact O-C 3.5Å; L126-G144 WeakPolarHBondContact O-CA 3.24Å; G144-P180 CarbonylContact O-C 3.59Å; G144-P180 WeakPolarHBondContact O-CA 3.39Å; G144-Y181 PolarHBondContact N-O 3.47Å; G144-Y181 PolarHBondContact O-N 3.32Å
145V98.8Very high98.2Very high37 Ų3743.9 Ų43.922%0.22424%0.24CC..EExtended strand (participates in β ladder)trans-134.7131.4170.362.80000108.3E125 L126 W178 V179E125-V145 WeakPolarHBondContact CA-O 3.39Å; L126-V145 HydrophobicContact CB-CG1 4.12Å; L126-V145 PolarHBondContact N-O 2.83Å; L126-V145 PolarHBondContact O-N 3.13Å; V145-W178 HydrophobicContact CG2-CB 4.24Å; V145-W178 HydrophobicContact CG2-CE3 3.89Å; V145-V179 WeakPolarHBondContact CA-O 3.26Å
146L98.5Very high98.3Very high34 Ų3440.7 Ų40.718%0.17821%0.207CC..EExtended strand (participates in β ladder)trans-94.6138.3167.7-65.7161.7000108.1V123 G124 E125 Y148 W178 V179 Y181V123-L146 HydrophobicContact CG1-CD2 4.19Å; G124-L146 CarbonylContact O-C 3.46Å; G124-L146 WeakPolarHBondContact O-CA 3.29Å; E125-L146 HydrophobicContact CB-CD2 3.87Å; E125-L146 HydrophobicContact CG-CD2 3.74Å; L146-Y148 HydrophobicContact CB-CE1 3.88Å; L146-Y148 HydrophobicContact CD1-CE1 4.41Å; L146-W178 CarbonylContact O-C 3.54Å; L146-W178 WeakPolarHBondContact O-CA 3.24Å; L146-V179 HydrophobicContact CB-CB 4.26Å; L146-V179 PolarHBondContact N-O 2.91Å; L146-V179 PolarHBondContact O-N 2.55Å; L146-Y181 HydrophobicContact CD1-CD1 4.31Å; L146-Y181 HydrophobicContact CG-CD1 4.15Å; L146-Y181 HydrophobicContact CG-CE1 4.11Å
147Y98.8Very high98.4Very high39 Ų3934.4 Ų34.415%0.15318%0.183CC..EExtended strand (participates in β ladder)trans-109.2126.5168.9168.3-93.6000107.9W122 V123 G124 D149 D176 A177 W178W122-Y147 HydrophobicContact CD2-CE1 4.27Å; W122-Y147 AromaticContact CE2-CE1 3.65Å; W122-Y147 HydrophobicContact CE3-CD1 4.2Å; W122-Y147 HydrophobicContact CE3-CE1 4.35Å; W122-Y147 AromaticContact CH2-CD1 3.36Å; W122-Y147 HydrophobicContact CH2-CD1 3.36Å; W122-Y147 AromaticContact CH2-CE1 3.25Å; W122-Y147 HydrophobicContact CH2-CE1 3.25Å; W122-Y147 HydrophobicContact CH2-CG 4.47Å; W122-Y147 AromaticContact CZ2-CD1 3.78Å; W122-Y147 HydrophobicContact CZ2-CD1 3.78Å; W122-Y147 AromaticContact CZ2-CE1 3.14Å; W122-Y147 HydrophobicContact CZ2-CE1 3.14Å; W122-Y147 AromaticContact CZ3-CD1 3.6Å; W122-Y147 HydrophobicContact CZ3-CD1 3.6Å; W122-Y147 AromaticContact CZ3-CE1 3.88Å; W122-Y147 HydrophobicContact CZ3-CE1 3.88Å; V123-Y147 CarbonylContact C-O 3.6Å; V123-Y147 VanDerWaalsContact CA-O 3.24Å; V123-Y147 WeakPolarHBondContact CA-O 3.24Å; G124-Y147 PolarHBondContact N-O 3.45Å; G124-Y147 PolarHBondContact O-N 2.97Å; Y147-D149 HydrophobicContact CE1-CB 3.91Å; Y147-D176 HydrophobicContact CE2-CB 3.81Å; Y147-D176 PolarHBondContact OH-OD1 3.3Å; Y147-A177 CarbonylContact C-O 3.56Å; Y147-A177 WeakPolarHBondContact CA-O 3.39Å; Y147-W178 AromaticContact CD2-CD2 3.85Å; Y147-W178 HydrophobicContact CD2-CD2 3.85Å; Y147-W178 AromaticContact CD2-CE2 3.42Å; Y147-W178 VanDerWaalsContact CD2-CE2 3.42Å; Y147-W178 HydrophobicContact CD2-CE3 4.22Å; Y147-W178 HydrophobicContact CD2-CG 4.46Å; Y147-W178 AromaticContact CD2-CH2 3.86Å; Y147-W178 HydrophobicContact CD2-CH2 3.86Å; Y147-W178 AromaticContact CD2-CZ2 3.44Å; Y147-W178 HydrophobicContact CD2-CZ2 3.44Å; Y147-W178 VanDerWaalsContact CD2-CZ2 3.44Å; Y147-W178 HydrophobicContact CD2-CZ3 4.23Å; Y147-W178 AromaticContact CD2-NE1 3.78Å; Y147-W178 AromaticContact CE2-CE2 3.94Å; Y147-W178 AromaticContact CE2-CZ2 3.85Å; Y147-W178 HydrophobicContact CE2-CZ2 3.85Å; Y147-W178 AromaticContact CE2-NE1 3.99Å; Y147-W178 HydrophobicContact CG-CH2 4.3Å; Y147-W178 HydrophobicContact CG-CZ2 4.31Å; Y147-W178 HydrophobicContact CG-CZ3 4.47Å
148Y98.7Very high98.5Very high25 Ų2532 Ų3210%0.09817%0.171CC..EExtended strand (participates in β ladder)trans-108.3126.4169.8-56.6-28.9000107.8V123 L146 F152 S153 D176 A177 V179 I209V123-Y148 HydrophobicContact CB-CD1 4.25Å; V123-Y148 HydrophobicContact CG1-CD1 3.78Å; V123-Y148 HydrophobicContact CG1-CE1 3.7Å; V123-Y148 HydrophobicContact CG2-CD1 3.69Å; V123-Y148 HydrophobicContact CG2-CE1 4.06Å; L146-Y148 HydrophobicContact CB-CE1 3.88Å; L146-Y148 HydrophobicContact CD1-CE1 4.41Å; Y148-F152 AromaticContact CD1-CD1 3.96Å; Y148-F152 HydrophobicContact CD1-CD1 3.96Å; Y148-F152 AromaticContact CD1-CE1 3.93Å; Y148-F152 HydrophobicContact CD1-CE1 3.93Å; Y148-F152 HydrophobicContact CD2-CD1 4.11Å; Y148-F152 HydrophobicContact CD2-CE1 4.08Å; Y148-F152 HydrophobicContact CE1-CE1 4.14Å; Y148-F152 HydrophobicContact CE2-CE1 4.28Å; Y148-F152 AromaticContact CG-CD1 3.67Å; Y148-F152 HydrophobicContact CG-CD1 3.67Å; Y148-F152 AromaticContact CG-CE1 3.9Å; Y148-F152 HydrophobicContact CG-CE1 3.9Å; Y148-S153 WeakPolarHBondContact CB-OG 3.33Å; Y148-D176 CarbonylContact O-C 3.56Å; Y148-D176 VanDerWaalsContact O-CA 3.29Å; Y148-D176 WeakPolarHBondContact O-CA 3.48Å; Y148-A177 HydrophobicContact CD2-CB 4.26Å; Y148-A177 PolarHBondContact N-O 3.14Å; Y148-A177 PolarHBondContact O-N 2.93Å; Y148-V179 HydrophobicContact CD2-CG2 3.98Å; Y148-V179 HydrophobicContact CE2-CG2 3.62Å; Y148-I209 HydrophobicContact CD2-CD1 4.14Å; Y148-I209 HydrophobicContact CE2-CD1 4.12Å
149D98.7Very high98.5Very high11 Ų1131.7 Ų31.76%0.05917%0.168CC..  trans-69.9161.3172.388-55.4000111.1G121 W122 Y147 N151 F152 S153 D176G121-D149 WeakPolarHBondContact CA-OD1 3.33Å; W122-D149 VanDerWaalsContact CD1-CG 3.5Å; W122-D149 HydrophobicContact CD2-CB 4.47Å; W122-D149 HydrophobicContact CG-CB 4.25Å; W122-D149 PolarHBondContact N-OD1 2.99Å; W122-D149 PolarHBondContact O-N 2.68Å; W122-D149 VanDerWaalsContact O-N 3.15Å; Y147-D149 HydrophobicContact CE1-CB 3.91Å; D149-N151 PolarHBondContact O-N 2.89Å; D149-N151 WeakPolarHBondContact OD2-CB 3.32Å; D149-N151 PolarHBondContact OD2-N 3.23Å; D149-N151 PolarHBondContact OD2-ND2 3.48Å; D149-N151 VanDerWaalsContact OD2-ND2 3.08Å; D149-F152 PolarHBondContact O-N 3.09Å; D149-F152 VanDerWaalsContact OD1-CB 3.28Å; D149-F152 WeakPolarHBondContact OD1-CB 3.45Å; D149-F152 PolarHBondContact OD1-N 3.03Å; D149-S153 PolarHBondContact O-N 3.4Å; D149-S153 PolarHBondContact O-OG 2.73Å; D149-D176 WeakPolarHBondContact CA-OD1 3.24Å
150E98.6Very high98.5Very high81 Ų8132 Ų3238%0.37917%0.173SC..Hα-helixtrans-48.6-42.4178.1-178.6173.8-166.500113.1F152 S153 D154 Q175 D176E150-F152 PolarHBondContact O-N 2.87Å; E150-S153 PolarHBondContact O-N 3.09Å; E150-D154 WeakPolarHBondContact O-CB 3.35Å; E150-D154 PolarHBondContact O-N 3.33Å; E150-Q175 VanDerWaalsContact CD-NE2 3.28Å; E150-Q175 PolarHBondContact OE1-NE2 3.31Å; E150-D176 PolarHBondContact N-OD1 3.43Å; E150-D176 VanDerWaalsContact N-OD1 3.14Å
151N98.7Very high98.5Very high88 Ų8835.8 Ų35.847%0.47119%0.189SC..Hα-helixtrans-66.1-41179.7-62-55.9000112.4D149 Y155D149-N151 PolarHBondContact O-N 2.89Å; D149-N151 WeakPolarHBondContact OD2-CB 3.32Å; D149-N151 PolarHBondContact OD2-N 3.23Å; D149-N151 PolarHBondContact OD2-ND2 3.48Å; D149-N151 VanDerWaalsContact OD2-ND2 3.08Å; N151-Y155 VanDerWaalsContact O-CB 3.28Å; N151-Y155 WeakPolarHBondContact O-CB 3.23Å; N151-Y155 PolarHBondContact O-N 2.77Å; N151-Y155 VanDerWaalsContact O-N 3.12Å
152F98.7Very high98.5Very high0 Ų036.3 Ų36.30%019%0.194CC..Hα-helixtrans-64-50.9174.5-173.4-80.2000110.6M68 L70 V123 Y148 D149 E150 Y155 Y156M68-F152 HydrophobicContact CE-CE2 4.14Å; M68-F152 HydrophobicContact CE-CZ 3.9Å; M68-F152 HydrophobicContact CG-CE2 4.02Å; M68-F152 HydrophobicContact CG-CZ 3.9Å; M68-F152 HydrophobicContact SD-CZ 4.1Å; L70-F152 HydrophobicContact CD2-CE1 4.19Å; L70-F152 HydrophobicContact CD2-CZ 4.32Å; V123-F152 HydrophobicContact CG2-CD1 4.36Å; V123-F152 HydrophobicContact CG2-CD2 3.59Å; V123-F152 HydrophobicContact CG2-CE1 4.34Å; V123-F152 HydrophobicContact CG2-CE2 3.57Å; V123-F152 HydrophobicContact CG2-CG 4Å; V123-F152 HydrophobicContact CG2-CZ 3.98Å; Y148-F152 AromaticContact CD1-CD1 3.96Å; Y148-F152 HydrophobicContact CD1-CD1 3.96Å; Y148-F152 AromaticContact CD1-CE1 3.93Å; Y148-F152 HydrophobicContact CD1-CE1 3.93Å; Y148-F152 HydrophobicContact CD2-CD1 4.11Å; Y148-F152 HydrophobicContact CD2-CE1 4.08Å; Y148-F152 HydrophobicContact CE1-CE1 4.14Å; Y148-F152 HydrophobicContact CE2-CE1 4.28Å; Y148-F152 AromaticContact CG-CD1 3.67Å; Y148-F152 HydrophobicContact CG-CD1 3.67Å; Y148-F152 AromaticContact CG-CE1 3.9Å; Y148-F152 HydrophobicContact CG-CE1 3.9Å; D149-F152 PolarHBondContact O-N 3.09Å; D149-F152 VanDerWaalsContact OD1-CB 3.28Å; D149-F152 WeakPolarHBondContact OD1-CB 3.45Å; D149-F152 PolarHBondContact OD1-N 3.03Å; E150-F152 PolarHBondContact O-N 2.87Å; F152-Y155 PolarHBondContact O-N 3.01Å; F152-Y156 AromaticContact CD1-CD2 3.83Å; F152-Y156 HydrophobicContact CD1-CD2 3.83Å; F152-Y156 HydrophobicContact CD1-CE2 4.25Å; F152-Y156 HydrophobicContact CD2-CD2 4.27Å; F152-Y156 AromaticContact CD2-CE2 3.89Å; F152-Y156 HydrophobicContact CD2-CE2 3.89Å; F152-Y156 AromaticContact CE1-CD2 3.57Å; F152-Y156 HydrophobicContact CE1-CD2 3.57Å; F152-Y156 AromaticContact CE1-CE2 3.87Å; F152-Y156 HydrophobicContact CE1-CE2 3.87Å; F152-Y156 HydrophobicContact CE2-CD2 4.04Å; F152-Y156 AromaticContact CE2-CE2 3.47Å; F152-Y156 HydrophobicContact CE2-CE2 3.47Å; F152-Y156 VanDerWaalsContact CE2-CE2 3.47Å; F152-Y156 HydrophobicContact CG-CD2 4.17Å; F152-Y156 HydrophobicContact CG-CE2 4.26Å; F152-Y156 AromaticContact CZ-CD2 3.68Å; F152-Y156 HydrophobicContact CZ-CD2 3.68Å; F152-Y156 AromaticContact CZ-CE2 3.45Å; F152-Y156 HydrophobicContact CZ-CE2 3.45Å; F152-Y156 VanDerWaalsContact CZ-CE2 3.45Å; F152-Y156 VanDerWaalsContact O-CD2 3.25Å; F152-Y156 WeakPolarHBondContact O-CD2 3.31Å; F152-Y156 PolarHBondContact O-N 3.3Å
153S98.5Very high98.5Very high0 Ų035.6 Ų35.60%019%0.187CC..Hα-helixtrans-59.6-50-179.4-67.50000111.9Y148 D149 E150 Y155 Y156 Y157 Q175Y148-S153 WeakPolarHBondContact CB-OG 3.33Å; D149-S153 PolarHBondContact O-N 3.4Å; D149-S153 PolarHBondContact O-OG 2.73Å; E150-S153 PolarHBondContact O-N 3.09Å; S153-Y155 VanDerWaalsContact C-N 3.33Å; S153-Y155 PolarHBondContact O-N 2.7Å; S153-Y156 PolarHBondContact O-N 2.97Å; S153-Y157 WeakPolarHBondContact O-CB 3.4Å; S153-Y157 VanDerWaalsContact O-CD2 3.31Å; S153-Y157 WeakPolarHBondContact O-CD2 3.42Å; S153-Y157 PolarHBondContact O-N 2.86Å; S153-Q175 WeakPolarHBondContact CB-O 3.25Å; S153-Q175 PolarHBondContact OG-O 3.1Å
154D98.5Very high98.5Very high61 Ų6132 Ų3233%0.32617%0.171SC..Hα-helixtrans-66.3-35.4-176.8-16759.5000112E150 Y156 G158 S173 A174E150-D154 WeakPolarHBondContact O-CB 3.35Å; E150-D154 PolarHBondContact O-N 3.33Å; D154-Y156 PolarHBondContact O-N 3.08Å; D154-G158 WeakPolarHBondContact O-CA 3.37Å; D154-G158 PolarHBondContact O-N 3.39Å; D154-S173 VanDerWaalsContact OD1-CA 3.32Å; D154-S173 WeakPolarHBondContact OD1-CA 3.27Å; D154-A174 PolarHBondContact OD1-N 2.74Å
155Y98.5Very high98.5Very high37 Ų3740.5 Ų40.515%0.14520%0.2CC..Hα-helixtrans-61.5-43.6174.3179.1-100.9000112.5R88 D89 N118 S119 N151 F152 S153R88-Y155 HydrophobicContact CB-CD1 4.41Å; R88-Y155 HydrophobicContact CB-CE1 3.8Å; R88-Y155 WeakPolarHBondContact CD-O 3.38Å; R88-Y155 WeakPolarHBondContact CG-O 3.42Å; R88-Y155 PolarHBondContact NE-O 2.73Å; R88-Y155 PolarHBondContact NH1-O 2.8Å; D89-Y155 PolarHBondContact N-OH 2.88Å; N118-Y155 HydrophobicContact CB-CE1 4.2Å; N118-Y155 VanDerWaalsContact O-CD2 3.22Å; N118-Y155 WeakPolarHBondContact O-CD2 3.34Å; N118-Y155 WeakPolarHBondContact O-CE2 3.31Å; S119-Y155 VanDerWaalsContact CB-CB 3.49Å; N151-Y155 VanDerWaalsContact O-CB 3.28Å; N151-Y155 WeakPolarHBondContact O-CB 3.23Å; N151-Y155 PolarHBondContact O-N 2.77Å; N151-Y155 VanDerWaalsContact O-N 3.12Å; F152-Y155 PolarHBondContact O-N 3.01Å; S153-Y155 VanDerWaalsContact C-N 3.33Å; S153-Y155 PolarHBondContact O-N 2.7Å
156Y98.1Very high98.5Very high0 Ų044 Ų440%021%0.209CC..Hα-helixtrans-90-23.6-174.7-73.7-70.2000114.2Y22 L70 R88 D89 F152 S153 D154Y22-Y156 VanDerWaalsContact CE1-O 3.27Å; Y22-Y156 WeakPolarHBondContact CE1-O 3.4Å; Y22-Y156 PolarHBondContact OH-O 3.05Å; L70-Y156 HydrophobicContact CB-CD1 4.34Å; L70-Y156 HydrophobicContact CB-CE1 4.09Å; L70-Y156 HydrophobicContact CD2-CD1 3.69Å; L70-Y156 HydrophobicContact CD2-CD2 3.86Å; L70-Y156 HydrophobicContact CD2-CE1 4.18Å; L70-Y156 HydrophobicContact CD2-CE2 4.36Å; L70-Y156 HydrophobicContact CD2-CG 3.51Å; L70-Y156 HydrophobicContact CG-CD1 3.62Å; L70-Y156 HydrophobicContact CG-CE1 3.88Å; L70-Y156 HydrophobicContact CG-CG 4.01Å; L70-Y156 WeakPolarHBondContact O-CE1 3.3Å; R88-Y156 HydrophobicContact CB-CD1 4.04Å; R88-Y156 HydrophobicContact CB-CE1 4.31Å; D89-Y156 PolarHBondContact O-OH 2.61Å; F152-Y156 AromaticContact CD1-CD2 3.83Å; F152-Y156 HydrophobicContact CD1-CD2 3.83Å; F152-Y156 HydrophobicContact CD1-CE2 4.25Å; F152-Y156 HydrophobicContact CD2-CD2 4.27Å; F152-Y156 AromaticContact CD2-CE2 3.89Å; F152-Y156 HydrophobicContact CD2-CE2 3.89Å; F152-Y156 AromaticContact CE1-CD2 3.57Å; F152-Y156 HydrophobicContact CE1-CD2 3.57Å; F152-Y156 AromaticContact CE1-CE2 3.87Å; F152-Y156 HydrophobicContact CE1-CE2 3.87Å; F152-Y156 HydrophobicContact CE2-CD2 4.04Å; F152-Y156 AromaticContact CE2-CE2 3.47Å; F152-Y156 HydrophobicContact CE2-CE2 3.47Å; F152-Y156 VanDerWaalsContact CE2-CE2 3.47Å; F152-Y156 HydrophobicContact CG-CD2 4.17Å; F152-Y156 HydrophobicContact CG-CE2 4.26Å; F152-Y156 AromaticContact CZ-CD2 3.68Å; F152-Y156 HydrophobicContact CZ-CD2 3.68Å; F152-Y156 AromaticContact CZ-CE2 3.45Å; F152-Y156 HydrophobicContact CZ-CE2 3.45Å; F152-Y156 VanDerWaalsContact CZ-CE2 3.45Å; F152-Y156 VanDerWaalsContact O-CD2 3.25Å; F152-Y156 WeakPolarHBondContact O-CD2 3.31Å; F152-Y156 PolarHBondContact O-N 3.3Å; S153-Y156 PolarHBondContact O-N 2.97Å; D154-Y156 PolarHBondContact O-N 3.08Å
157Y98.2Very high98.4Very high9 Ų943 Ų434%0.03521%0.205CC..Hα-helixtrans-128.2-7.9-172.4-51.4-64.2000113.8Y22 L70 S153 I209 S212 I215Y22-Y157 AromaticContact CE1-CD1 3.97Å; Y22-Y157 HydrophobicContact CE1-CD1 3.97Å; Y22-Y157 HydrophobicContact CE1-CE1 4.12Å; L70-Y157 WeakPolarHBondContact CD2-OH 3.46Å; S153-Y157 WeakPolarHBondContact O-CB 3.4Å; S153-Y157 VanDerWaalsContact O-CD2 3.31Å; S153-Y157 WeakPolarHBondContact O-CD2 3.42Å; S153-Y157 PolarHBondContact O-N 2.86Å; Y157-I209 HydrophobicContact CD1-CG2 3.93Å; Y157-I209 HydrophobicContact CD2-CD1 4.34Å; Y157-I209 HydrophobicContact CD2-CG1 3.92Å; Y157-I209 HydrophobicContact CD2-CG2 4.33Å; Y157-I209 HydrophobicContact CE1-CG2 3.75Å; Y157-I209 HydrophobicContact CE2-CD1 3.68Å; Y157-I209 HydrophobicContact CE2-CG1 3.79Å; Y157-I209 HydrophobicContact CE2-CG2 4.18Å; Y157-I209 HydrophobicContact CG-CG2 4.21Å; Y157-S212 VanDerWaalsContact O-CB 3.26Å; Y157-S212 WeakPolarHBondContact O-CB 3.11Å; Y157-S212 PolarHBondContact O-OG 3.05Å; Y157-I215 HydrophobicContact CD1-CD1 3.89Å; Y157-I215 HydrophobicContact CD1-CG1 4.23Å; Y157-I215 HydrophobicContact CE1-CD1 4.07Å
158G98.3Very high98.4Very high2 Ų244.5 Ų44.52%0.02123%0.232CC..  trans-75153.4177.400000113.2D154 Y172D154-G158 WeakPolarHBondContact O-CA 3.37Å; D154-G158 PolarHBondContact O-N 3.39Å; G158-Y172 WeakPolarHBondContact CA-O 3.34Å
159I98.6Very high98.4Very high3 Ų344.2 Ų44.22%0.01523%0.232CC..BIsolated β-bridgetrans-128111.5171.9-59.3-178.2000107.7L85 E163 L169 S171 Y172 P213 M214L85-I159 HydrophobicContact CD1-CD1 4.41Å; L85-I159 HydrophobicContact CD2-CG1 4.47Å; L85-I159 HydrophobicContact CD2-CG2 4.07Å; I159-E163 HydrophobicContact CG2-CB 3.79Å; I159-L169 HydrophobicContact CD1-CB 3.85Å; I159-L169 HydrophobicContact CD1-CD1 3.95Å; I159-S171 VanDerWaalsContact O-CA 3.28Å; I159-S171 WeakPolarHBondContact O-CA 3.36Å; I159-S171 WeakPolarHBondContact O-CB 3.42Å; I159-Y172 PolarHBondContact N-O 3.09Å; I159-Y172 PolarHBondContact O-N 3.27Å; I159-P213 HydrophobicContact CD1-CB 3.73Å; I159-P213 HydrophobicContact CD1-CG 3.89Å; I159-M214 HydrophobicContact CD1-CG 3.82Å; I159-M214 HydrophobicContact CG1-CG 3.87Å; I159-M214 HydrophobicContact CG1-SD 4.16Å
160S98.3Very high98.3Very high42 Ų4246.7 Ų46.729%0.29426%0.255SS..  trans-65.7159.4177.867.20000112.4S162 E163 S164S160-S162 PolarHBondContact O-N 3.19Å; S160-S162 PolarHBondContact OG-OG 2.6Å; S160-E163 VanDerWaalsContact CB-OE2 3.27Å; S160-E163 WeakPolarHBondContact CB-OE2 3.31Å; S160-E163 PolarHBondContact N-OE2 3.27Å; S160-E163 PolarHBondContact O-N 3.03Å; S160-E163 VanDerWaalsContact O-N 3.08Å; S160-E163 WeakPolarHBondContact OG-CB 3.39Å; S160-E163 VanDerWaalsContact OG-CG 3.29Å; S160-E163 WeakPolarHBondContact OG-CG 3.37Å; S160-E163 PolarHBondContact OG-N 2.79Å; S160-E163 VanDerWaalsContact OG-N 3.12Å; S160-E163 PolarHBondContact OG-OE2 3.21Å; S160-S164 WeakPolarHBondContact O-CB 3.48Å; S160-S164 PolarHBondContact O-N 2.9Å
161E98.4Very high98.3Very high112 Ų11245.2 Ų45.252%0.52325%0.253SS..Hα-helixtrans-56.6-32.7171.9-74.3-64.3147.700113R165 S171E161-R165 WeakPolarHBondContact O-CG 3.17Å; E161-R165 PolarHBondContact O-N 2.89Å; E161-R165 PolarHBondContact O-NH1 2.9Å; E161-S171 VanDerWaalsContact OE1-CB 3.26Å; E161-S171 WeakPolarHBondContact OE1-CB 3.4Å; E161-S171 PolarHBondContact OE1-OG 2.9Å
162S98.4Very high98.3Very high57 Ų5743.4 Ų43.440%0.39924%0.24SC..Hα-helixtrans-67.5-46.1173.426.20000112.5S160 R165 R166S160-S162 PolarHBondContact O-N 3.19Å; S160-S162 PolarHBondContact OG-OG 2.6Å; S162-R165 PolarHBondContact O-N 2.68Å; S162-R166 WeakPolarHBondContact O-CG 3.47Å; S162-R166 PolarHBondContact O-N 2.83Å
163E98.4Very high98.3Very high4 Ų446.6 Ų46.62%0.01926%0.262CS..Hα-helixtrans-64-43.8177-78.4167.1119.300111.2L85 D86 R88 I159 S160 R165 R166 S167L85-E163 HydrophobicContact CD2-CB 3.72Å; L85-E163 HydrophobicContact CD2-CG 4.16Å; D86-E163 WeakPolarHBondContact CB-OE1 3.33Å; D86-E163 PolarHBondContact N-OE1 3.16Å; R88-E163 IonicContact CZ-OE1 3.89Å; R88-E163 VanDerWaalsContact NH2-CD 3.33Å; R88-E163 IonicContact NH2-OE1 3.68Å; R88-E163 PolarHBondContact NH2-OE1 3.34Å; R88-E163 IonicContact NH2-OE2 3.09Å; R88-E163 PolarHBondContact NH2-OE2 2.9Å; I159-E163 HydrophobicContact CG2-CB 3.79Å; S160-E163 VanDerWaalsContact CB-OE2 3.27Å; S160-E163 WeakPolarHBondContact CB-OE2 3.31Å; S160-E163 PolarHBondContact N-OE2 3.27Å; S160-E163 PolarHBondContact O-N 3.03Å; S160-E163 VanDerWaalsContact O-N 3.08Å; S160-E163 WeakPolarHBondContact OG-CB 3.39Å; S160-E163 VanDerWaalsContact OG-CG 3.29Å; S160-E163 WeakPolarHBondContact OG-CG 3.37Å; S160-E163 PolarHBondContact OG-N 2.79Å; S160-E163 VanDerWaalsContact OG-N 3.12Å; S160-E163 PolarHBondContact OG-OE2 3.21Å; E163-R165 VanDerWaalsContact C-N 3.34Å; E163-R165 PolarHBondContact O-N 2.91Å; E163-R166 WeakPolarHBondContact O-CG 3.32Å; E163-R166 PolarHBondContact O-N 2.78Å; E163-S167 VanDerWaalsContact O-CB 3.29Å; E163-S167 WeakPolarHBondContact O-CB 3.25Å; E163-S167 PolarHBondContact O-N 2.94Å; E163-S167 PolarHBondContact O-OG 2.84Å
164S98.5Very high98.3Very high23 Ų2346.6 Ų46.616%0.16126%0.262CS..Hα-helixtrans-55.5-47.2175.9174.90000111.8S160 R166 G168 L169 S171S160-S164 WeakPolarHBondContact O-CB 3.48Å; S160-S164 PolarHBondContact O-N 2.9Å; S164-R166 VanDerWaalsContact C-N 3.31Å; S164-R166 PolarHBondContact O-N 2.6Å; S164-G168 WeakPolarHBondContact O-CA 3.26Å; S164-G168 PolarHBondContact O-N 3.24Å; S164-L169 VanDerWaalsContact CA-O 3.23Å; S164-L169 WeakPolarHBondContact CA-O 3.17Å; S164-L169 WeakPolarHBondContact CB-O 3.33Å; S164-L169 PolarHBondContact OG-O 3.39Å; S164-S171 PolarHBondContact OG-N 3.09Å
165R98.3Very high98.3Very high185 Ų18547.2 Ų47.270%0.69826%0.263SS*.Hα-helixtrans-62.1-32.6179-75.9-172.5-60.5-93.23.4114.4E161 S162 E163E161-R165 WeakPolarHBondContact O-CG 3.17Å; E161-R165 PolarHBondContact O-N 2.89Å; E161-R165 PolarHBondContact O-NH1 2.9Å; S162-R165 PolarHBondContact O-N 2.68Å; E163-R165 VanDerWaalsContact C-N 3.34Å; E163-R165 PolarHBondContact O-N 2.91Å
166R98Very high98.3Very high110 Ų11048.2 Ų48.242%0.41527%0.271SS..Hα-helixtrans-94.8-29.7-177.166.6-174.4-170.5-17711.7113.5Q84 D86 S162 E163 S164Q84-R166 HydrophobicContact CB-CG 4.24Å; Q84-R166 PolarHBondContact O-NE 2.89Å; Q84-R166 PolarHBondContact O-NH2 3.4Å; D86-R166 IonicContact OD1-CZ 3.41Å; D86-R166 VanDerWaalsContact OD1-CZ 3.27Å; D86-R166 IonicContact OD1-NH1 3.73Å; D86-R166 PolarHBondContact OD1-NH1 2.93Å; D86-R166 IonicContact OD1-NH2 3.87Å; D86-R166 PolarHBondContact OD1-NH2 3.19Å; D86-R166 IonicContact OD2-NH1 3.06Å; D86-R166 IonicContact OD2-NH2 3.4Å; S162-R166 WeakPolarHBondContact O-CG 3.47Å; S162-R166 PolarHBondContact O-N 2.83Å; E163-R166 WeakPolarHBondContact O-CG 3.32Å; E163-R166 PolarHBondContact O-N 2.78Å; S164-R166 VanDerWaalsContact C-N 3.31Å; S164-R166 PolarHBondContact O-N 2.6Å
167S97.9Very high98.3Very high13 Ų1348.2 Ų48.29%0.09127%0.271CS..Hα-helixtrans-87-30.8177.862.80000113.4A81 E163 L169A81-S167 WeakPolarHBondContact CB-O 3.41Å; A81-S167 WeakPolarHBondContact O-CB 3.31Å; E163-S167 VanDerWaalsContact O-CB 3.29Å; E163-S167 WeakPolarHBondContact O-CB 3.25Å; E163-S167 PolarHBondContact O-N 2.94Å; E163-S167 PolarHBondContact O-OG 2.84Å; S167-L169 WeakPolarHBondContact OG-CB 3.47Å; S167-L169 PolarHBondContact OG-N 3.42Å; S167-L169 VanDerWaalsContact OG-N 3.1Å
168G98Very high98.3Very high71 Ų7155 Ų5573%0.73230%0.297SS*.  trans80.10.6-168.100000114S164S164-G168 WeakPolarHBondContact O-CA 3.26Å; S164-G168 PolarHBondContact O-N 3.24Å
169L98Very high98.3Very high19 Ų1955 Ų5510%0.09930%0.297CS..PPolyproline II helixtrans-74.2152.4170.3-61.8172.8000110A81 M82 L85 I159 S164 S167 P213A81-L169 HydrophobicContact CB-CD1 4.26Å; A81-L169 HydrophobicContact CB-CD2 4.12Å; A81-L169 HydrophobicContact CB-CG 3.98Å; M82-L169 HydrophobicContact SD-CD1 3.94Å; L85-L169 HydrophobicContact CD1-CD1 3.88Å; L85-L169 HydrophobicContact CD2-CD1 4.18Å; L85-L169 HydrophobicContact CG-CD1 4.23Å; I159-L169 HydrophobicContact CD1-CB 3.85Å; I159-L169 HydrophobicContact CD1-CD1 3.95Å; S164-L169 VanDerWaalsContact CA-O 3.23Å; S164-L169 WeakPolarHBondContact CA-O 3.17Å; S164-L169 WeakPolarHBondContact CB-O 3.33Å; S164-L169 PolarHBondContact OG-O 3.39Å; S167-L169 WeakPolarHBondContact OG-CB 3.47Å; S167-L169 PolarHBondContact OG-N 3.42Å; S167-L169 VanDerWaalsContact OG-N 3.1Å; L169-P213 HydrophobicContact CB-CB 4.2Å; L169-P213 HydrophobicContact CD2-CB 4.19Å
170A98.3Very high98.3Very high64 Ų6457.8 Ų57.853%0.52932%0.315SS..PPolyproline II helixtrans-64.1143.6172.900000110P213A170-P213 HydrophobicContact CB-CG 4.13Å
171S98.4Very high98.3Very high49 Ų4957.4 Ų57.434%0.34331%0.307SS..PPolyproline II helixtrans-63.7147.2166.251.50000109.7I159 E161 S164I159-S171 VanDerWaalsContact O-CA 3.28Å; I159-S171 WeakPolarHBondContact O-CA 3.36Å; I159-S171 WeakPolarHBondContact O-CB 3.42Å; E161-S171 VanDerWaalsContact OE1-CB 3.26Å; E161-S171 WeakPolarHBondContact OE1-CB 3.4Å; E161-S171 PolarHBondContact OE1-OG 2.9Å; S164-S171 PolarHBondContact OG-N 3.09Å
172Y98.5Very high98.3Very high50 Ų5055.6 Ų55.620%0.19630%0.304CS..BIsolated β-bridgetrans-149.9136.7-177.2-174.3-102.7000109.3G158 I159 A174 E207 E208 D211G158-Y172 WeakPolarHBondContact CA-O 3.34Å; I159-Y172 PolarHBondContact N-O 3.09Å; I159-Y172 PolarHBondContact O-N 3.27Å; Y172-A174 HydrophobicContact CD1-CB 4.18Å; Y172-A174 HydrophobicContact CE1-CB 3.66Å; Y172-E207 PolarHBondContact OH-O 2.85Å; Y172-E208 WeakPolarHBondContact OH-CA 3.08Å; Y172-E208 PolarHBondContact OH-O 3.45Å; Y172-E208 VanDerWaalsContact OH-O 3.1Å; Y172-D211 HydrophobicContact CE2-CB 3.75Å
173S98.4Very high98.3Very high67 Ų6754.4 Ų54.447%0.46930%0.295SS..  trans-115.6111.6174.9-176.60000106.6D154 Q175D154-S173 VanDerWaalsContact OD1-CA 3.32Å; D154-S173 WeakPolarHBondContact OD1-CA 3.27Å; S173-Q175 PolarHBondContact O-OE1 3.45Å; S173-Q175 PolarHBondContact OG-OE1 3.15Å; S173-Q175 VanDerWaalsContact OG-OE1 3.07Å
174A98Very high98.3Very high0 Ų058 Ų580%031%0.314CS..  trans-83.9131.7-178.300000109.7D154 Y172D154-A174 PolarHBondContact OD1-N 2.74Å; Y172-A174 HydrophobicContact CD1-CB 4.18Å; Y172-A174 HydrophobicContact CE1-CB 3.66Å
175Q97.9Very high98.3Very high74 Ų7457.7 Ų57.735%0.34631%0.311SS..  trans-95.2-174-178.7-55-50.211600111.4E150 S153 S173 A177 E208E150-Q175 VanDerWaalsContact CD-NE2 3.28Å; E150-Q175 PolarHBondContact OE1-NE2 3.31Å; S153-Q175 WeakPolarHBondContact CB-O 3.25Å; S153-Q175 PolarHBondContact OG-O 3.1Å; S173-Q175 PolarHBondContact O-OE1 3.45Å; S173-Q175 PolarHBondContact OG-OE1 3.15Å; S173-Q175 VanDerWaalsContact OG-OE1 3.07Å; Q175-A177 PolarHBondContact O-N 2.91Å; Q175-E208 HydrophobicContact CB-CG 4.29Å
176D98.7Very high98.3Very high59 Ų5950 Ų5032%0.31629%0.287SS..  trans-53.5128.8172.8-59-80.7000111.4Y147 Y148 D149 E150Y147-D176 HydrophobicContact CE2-CB 3.81Å; Y147-D176 PolarHBondContact OH-OD1 3.3Å; Y148-D176 CarbonylContact O-C 3.56Å; Y148-D176 VanDerWaalsContact O-CA 3.29Å; Y148-D176 WeakPolarHBondContact O-CA 3.48Å; D149-D176 WeakPolarHBondContact CA-OD1 3.24Å; E150-D176 PolarHBondContact N-OD1 3.43Å; E150-D176 VanDerWaalsContact N-OD1 3.14Å
177A98.5Very high98.3Very high0 Ų049 Ų490%029%0.286CS..EExtended strand (participates in β ladder)trans-117135.4-176.200000111.5Y147 Y148 Q175 P206 E208 I209Y147-A177 CarbonylContact C-O 3.56Å; Y147-A177 WeakPolarHBondContact CA-O 3.39Å; Y148-A177 HydrophobicContact CD2-CB 4.26Å; Y148-A177 PolarHBondContact N-O 3.14Å; Y148-A177 PolarHBondContact O-N 2.93Å; Q175-A177 PolarHBondContact O-N 2.91Å; A177-P206 HydrophobicContact CB-CG 4.01Å; A177-E208 HydrophobicContact CB-CB 4.19Å; A177-I209 HydrophobicContact CB-CD1 4.12Å; A177-I209 HydrophobicContact CB-CG1 4Å
178W98.7Very high98.2Very high151 Ų15153.2 Ų53.257%0.57230%0.301SS*.EExtended strand (participates in β ladder)trans-110107.9173-64.583000109.5V145 L146 Y147 P180V145-W178 HydrophobicContact CG2-CB 4.24Å; V145-W178 HydrophobicContact CG2-CE3 3.89Å; L146-W178 CarbonylContact O-C 3.54Å; L146-W178 WeakPolarHBondContact O-CA 3.24Å; Y147-W178 AromaticContact CD2-CD2 3.85Å; Y147-W178 HydrophobicContact CD2-CD2 3.85Å; Y147-W178 AromaticContact CD2-CE2 3.42Å; Y147-W178 VanDerWaalsContact CD2-CE2 3.42Å; Y147-W178 HydrophobicContact CD2-CE3 4.22Å; Y147-W178 HydrophobicContact CD2-CG 4.46Å; Y147-W178 AromaticContact CD2-CH2 3.86Å; Y147-W178 HydrophobicContact CD2-CH2 3.86Å; Y147-W178 AromaticContact CD2-CZ2 3.44Å; Y147-W178 HydrophobicContact CD2-CZ2 3.44Å; Y147-W178 VanDerWaalsContact CD2-CZ2 3.44Å; Y147-W178 HydrophobicContact CD2-CZ3 4.23Å; Y147-W178 AromaticContact CD2-NE1 3.78Å; Y147-W178 AromaticContact CE2-CE2 3.94Å; Y147-W178 AromaticContact CE2-CZ2 3.85Å; Y147-W178 HydrophobicContact CE2-CZ2 3.85Å; Y147-W178 AromaticContact CE2-NE1 3.99Å; Y147-W178 HydrophobicContact CG-CH2 4.3Å; Y147-W178 HydrophobicContact CG-CZ2 4.31Å; Y147-W178 HydrophobicContact CG-CZ3 4.47Å; W178-P180 WeakPolarHBondContact O-CD 3.38Å
179V98.4Very high98.1Very high2 Ų251.6 Ų51.61%0.01228%0.277CS..EExtended strand (participates in β ladder)trans-10695.4-173.4-174.90000109.4V145 L146 Y148 L205 P206 I209V145-V179 WeakPolarHBondContact CA-O 3.26Å; L146-V179 HydrophobicContact CB-CB 4.26Å; L146-V179 PolarHBondContact N-O 2.91Å; L146-V179 PolarHBondContact O-N 2.55Å; Y148-V179 HydrophobicContact CD2-CG2 3.98Å; Y148-V179 HydrophobicContact CE2-CG2 3.62Å; V179-L205 HydrophobicContact CG1-CD2 4.34Å; V179-P206 HydrophobicContact CG2-CG 4.26Å; V179-I209 HydrophobicContact CG2-CD1 3.75Å
180P98.5Very high98Very high61 Ų6154.7 Ų54.740%0.39629%0.293SS..EExtended strand (participates in β ladder)trans-71.8143.9174.731.9-34.8000110.1G144 W178 S203 E204G144-P180 CarbonylContact O-C 3.59Å; G144-P180 WeakPolarHBondContact O-CA 3.39Å; W178-P180 WeakPolarHBondContact O-CD 3.38Å; P180-S203 WeakPolarHBondContact O-CA 3.39Å; P180-E204 HydrophobicContact CG-CB 4.07Å; P180-E204 PolarHBondContact O-N 2.86Å; P180-E204 VanDerWaalsContact O-N 3.1Å
181Y98.4Very high97.8Very high35 Ų3553.7 Ų53.714%0.13729%0.288CS..EExtended strand (participates in β ladder)trans-144155.6-17977.4-95.3000112.5E125 S127 G144 L146 Y202 S203E125-Y181 HydrophobicContact CG-CE1 4.36Å; E125-Y181 PolarHBondContact OE1-OH 2.89Å; S127-Y181 WeakPolarHBondContact CB-OH 3.31Å; G144-Y181 PolarHBondContact N-O 3.47Å; G144-Y181 PolarHBondContact O-N 3.32Å; L146-Y181 HydrophobicContact CD1-CD1 4.31Å; L146-Y181 HydrophobicContact CG-CD1 4.15Å; L146-Y181 HydrophobicContact CG-CE1 4.11Å; Y181-Y202 CarbonylContact C-O 3.5Å; Y181-Y202 WeakPolarHBondContact CA-O 3.4Å; Y181-Y202 WeakPolarHBondContact CB-O 3.47Å; Y181-S203 VanDerWaalsContact CB-OG 3.31Å; Y181-S203 WeakPolarHBondContact CB-OG 3.2Å
182V98.7Very high97.5Very high74 Ų7458.2 Ų58.245%0.44830%0.304SS..EExtended strand (participates in β ladder)trans-126.1144.9167.2-64.60000109.3A142 L143 G201 Y202A142-V182 CarbonylContact O-C 3.55Å; A142-V182 WeakPolarHBondContact O-CA 3.46Å; L143-V182 HydrophobicContact CD1-CG1 4.1Å; V182-G201 WeakPolarHBondContact O-CA 3.08Å; V182-Y202 HydrophobicContact CG2-CD1 4.31Å; V182-Y202 PolarHBondContact N-O 3.41Å; V182-Y202 PolarHBondContact O-N 3.33Å
183S98.2Very high97.3Very high31 Ų3159.3 Ų59.322%0.21731%0.311CS..EExtended strand (participates in β ladder)trans-145.316017566.50000112.6P141 A142 A200P141-S183 CarbonylContact C-O 3.48Å; P141-S183 WeakPolarHBondContact CA-O 3.47Å; A142-S183 WeakPolarHBondContact CB-OG 3.41Å; A142-S183 PolarHBondContact N-O 3.42Å; A142-S183 PolarHBondContact O-N 2.84Å; S183-A200 CarbonylContact C-O 3.43Å; S183-A200 WeakPolarHBondContact CA-O 3.17Å; S183-A200 VanDerWaalsContact CB-O 3.28Å; S183-A200 WeakPolarHBondContact CB-O 3.45Å
184L98.5Very high97.3Very high81 Ų8158.3 Ų58.342%0.42430%0.302SS..EExtended strand (participates in β ladder)trans-139.3119.2174.9179.563.9000109L139 P141 S199 A200L139-L184 HydrophobicContact CB-CD1 4.41Å; L139-L184 HydrophobicContact CD2-CD1 4.5Å; P141-L184 HydrophobicContact CB-CD1 4.17Å; L184-S199 CarbonylContact O-C 3.42Å; L184-S199 VanDerWaalsContact O-CA 3.32Å; L184-S199 WeakPolarHBondContact O-CA 3.28Å; L184-A200 PolarHBondContact N-O 3.08Å; L184-A200 PolarHBondContact O-N 2.88Å
185T98Very high97.2Very high15 Ų1559.3 Ų59.39%0.09231%0.308CS..EExtended strand (participates in β ladder)trans-106.4131.5171.6-55.20000110.5L139 T140 K187 M197 A198 S199L139-T185 CarbonylContact C-O 3.56Å; L139-T185 WeakPolarHBondContact CA-O 3.34Å; T140-T185 PolarHBondContact N-O 3.42Å; T140-T185 PolarHBondContact O-N 3.46Å; T185-K187 HydrophobicContact CG2-CG 4.46Å; T185-M197 HydrophobicContact CG2-CG 4.42Å; T185-A198 CarbonylContact C-O 3.58Å; T185-S199 PolarHBondContact OG1-OG 3.15Å
186A98.3Very high97.2Very high24 Ų2459.4 Ų59.420%0.19831%0.31CS..EExtended strand (participates in β ladder)trans-113.7132.8173.200000110.3L137 S138 L139 M197 A198L137-A186 HydrophobicContact CD1-CB 4.22Å; S138-A186 CarbonylContact O-C 3.55Å; S138-A186 WeakPolarHBondContact O-CA 3.45Å; L139-A186 HydrophobicContact CD2-CB 3.6Å; A186-M197 WeakPolarHBondContact O-CA 3.29Å; A186-A198 PolarHBondContact N-O 3.17Å; A186-A198 PolarHBondContact O-N 2.82Å
187K97.2Very high97.2Very high90 Ų9058.3 Ų58.339%0.39130%0.304SS..EExtended strand (participates in β ladder)trans-127.3132.2171.8-66.5-176.7178.7-175.50110.2S138 T185 V195 L196 M197S138-K187 PolarHBondContact N-O 2.92Å; S138-K187 PolarHBondContact O-N 3.39Å; T185-K187 HydrophobicContact CG2-CG 4.46Å; K187-V195 HydrophobicContact CB-CG1 4.24Å; K187-L196 CarbonylContact C-O 3.56Å; K187-L196 WeakPolarHBondContact CA-O 3.36Å; K187-M197 HydrophobicContact CG-CG 4.21Å
188Y97.6Very high97.1Very high101 Ų10160 Ų6040%0.39632%0.317SS..EExtended strand (participates in β ladder)trans-133.4110-179.4-170.5-87.1000111.2R136 L137 I190 L196R136-Y188 HydrophobicContact CB-CD2 4.31Å; R136-Y188 HydrophobicContact CB-CE2 3.84Å; L137-Y188 HydrophobicContact CB-CD2 4.15Å; L137-Y188 HydrophobicContact CD1-CD2 4.38Å; Y188-I190 HydrophobicContact CD1-CG1 3.95Å; Y188-I190 HydrophobicContact CE1-CG1 4.11Å; Y188-L196 PolarHBondContact N-O 3.06Å; Y188-L196 PolarHBondContact O-N 3.37Å
189P96Very high97.1Very high36 Ų3653.9 Ų53.923%0.23430%0.298CS..EExtended strand (participates in β ladder)trans-74.7127.1175.229.9-31.5000111.5R136 V194 V195R136-P189 HydrophobicContact CB-CG 4.35Å; R136-P189 WeakPolarHBondContact O-CD 3.47Å; P189-V194 CarbonylContact C-O 3.52Å; P189-V194 WeakPolarHBondContact CA-O 3.01Å; P189-V195 HydrophobicContact CB-CG2 4.41Å
190I95.5Very high97.1Very high85 Ų8555.4 Ų55.444%0.43631%0.311SS..EExtended strand (participates in β ladder)trans-102.4104.9168-57.7179.9000107.9Y188 V194 L196Y188-I190 HydrophobicContact CD1-CG1 3.95Å; Y188-I190 HydrophobicContact CE1-CG1 4.11Å; I190-V194 HydrophobicContact CB-CB 4.3Å; I190-V194 HydrophobicContact CB-CG1 4.43Å; I190-V194 PolarHBondContact N-O 3.12Å; I190-V194 PolarHBondContact O-N 2.82Å; I190-L196 HydrophobicContact CD1-CD1 3.54Å; I190-L196 HydrophobicContact CD1-CD2 4.29Å; I190-L196 HydrophobicContact CD1-CG 3.7Å; I190-L196 HydrophobicContact CG1-CD1 4.37Å; I190-L196 HydrophobicContact CG1-CG 4.28Å
191G93.7Very high97Very high42 Ų4253.3 Ų53.343%0.43330%0.3SS..THydrogen-bonded Turntrans71.9-147.2-174.900000111.5
192E91.2Very high96.9Very high144 Ų14454.6 Ų54.667%0.67331%0.305SS*.THydrogen-bonded Turntrans-90-30.8-174.6-65.5-177.4167.100113.2R230E192-R230 PolarHBondContact O-NE 3.07Å; E192-R230 PolarHBondContact O-NH2 2.83Å
193H94.8Very high96.9Very high73 Ų7352.3 Ų52.334%0.33829%0.292SS..THydrogen-bonded Turntrans-114.1-36.1-168.9-49.8119.6000114.4W229 R230H193-W229 HydrophobicContact CB-CD2 3.76Å; H193-W229 VanDerWaalsContact CB-CE2 3.48Å; H193-W229 HydrophobicContact CB-CE3 3.97Å; H193-W229 HydrophobicContact CB-CG 4.45Å; H193-W229 HydrophobicContact CB-CH2 3.73Å; H193-W229 HydrophobicContact CB-CZ2 3.48Å; H193-W229 VanDerWaalsContact CB-CZ2 3.48Å; H193-W229 HydrophobicContact CB-CZ3 3.96Å; H193-W229 AromaticContact CG-CE2 3.84Å; H193-W229 AromaticContact CG-CH2 3.92Å; H193-W229 AromaticContact CG-CZ2 3.47Å; H193-W229 VanDerWaalsContact CG-CZ2 3.47Å; H193-W229 AromaticContact ND1-CH2 3.75Å; H193-W229 AromaticContact ND1-CZ2 3.57Å; H193-W229 CarbonylContact O-C 3.54Å; H193-W229 WeakPolarHBondContact O-CA 3.26Å; H193-R230 PolarHBondContact CD2-O 3.23Å; H193-R230 PolarHBondContact O-N 2.68Å
194V97.8Very high96.8Very high47 Ų4755.3 Ų55.329%0.28530%0.303SS..EExtended strand (participates in β ladder)trans-84.3129.1-173.7179.50000110P189 I190 V227 W229P189-V194 CarbonylContact C-O 3.52Å; P189-V194 WeakPolarHBondContact CA-O 3.01Å; I190-V194 HydrophobicContact CB-CB 4.3Å; I190-V194 HydrophobicContact CB-CG1 4.43Å; I190-V194 PolarHBondContact N-O 3.12Å; I190-V194 PolarHBondContact O-N 2.82Å; V194-V227 HydrophobicContact CG1-CG2 3.7Å; V194-W229 HydrophobicContact CG2-CE3 4.16Å; V194-W229 HydrophobicContact CG2-CZ3 4.19Å
195V97.2Very high96.7Very high20 Ų2052.3 Ų52.312%0.12129%0.287CS..EExtended strand (participates in β ladder)trans-123.6119.3174.8-1770000109.3K187 P189 V227 S228 R230K187-V195 HydrophobicContact CB-CG1 4.24Å; P189-V195 HydrophobicContact CB-CG2 4.41Å; V195-V227 WeakPolarHBondContact O-CA 3.4Å; V195-S228 PolarHBondContact N-O 2.82Å; V195-S228 PolarHBondContact O-N 3.08Å; V195-R230 HydrophobicContact CG2-CB 4.4Å
196L98Very high96.7Very high76 Ų7652.9 Ų52.940%0.39829%0.291SS..EExtended strand (participates in β ladder)trans-80.8142.2167.5-61.5-173000110K187 Y188 I190 V227K187-L196 CarbonylContact C-O 3.56Å; K187-L196 WeakPolarHBondContact CA-O 3.36Å; Y188-L196 PolarHBondContact N-O 3.06Å; Y188-L196 PolarHBondContact O-N 3.37Å; I190-L196 HydrophobicContact CD1-CD1 3.54Å; I190-L196 HydrophobicContact CD1-CD2 4.29Å; I190-L196 HydrophobicContact CD1-CG 3.7Å; I190-L196 HydrophobicContact CG1-CD1 4.37Å; I190-L196 HydrophobicContact CG1-CG 4.28Å; L196-V227 HydrophobicContact CD2-CB 4.26Å; L196-V227 HydrophobicContact CD2-CG2 4.12Å
197M97Very high96.6Very high37 Ų3757.9 Ų57.918%0.18231%0.31CS..EExtended strand (participates in β ladder)trans-132.4140177.1-172.6-175.376.600110.6L34 T185 A186 K187 V224 T225 G226L34-M197 HydrophobicContact CD1-CE 3.69Å; L34-M197 HydrophobicContact CD2-CE 3.49Å; L34-M197 VanDerWaalsContact CD2-CE 3.49Å; L34-M197 HydrophobicContact CG-CE 4.24Å; T185-M197 HydrophobicContact CG2-CG 4.42Å; A186-M197 WeakPolarHBondContact O-CA 3.29Å; K187-M197 HydrophobicContact CG-CG 4.21Å; M197-V224 HydrophobicContact CE-CG1 3.71Å; M197-T225 CarbonylContact O-C 3.57Å; M197-T225 WeakPolarHBondContact O-CA 3.25Å; M197-G226 PolarHBondContact N-O 2.71Å; M197-G226 PolarHBondContact O-N 2.82Å
198A98.1Very high96.6Very high34 Ų3456 Ų5628%0.28130%0.303SS..EExtended strand (participates in β ladder)trans-134.7143.5162.700000108.9T185 A186 F223 V224 T225T185-A198 CarbonylContact C-O 3.58Å; A186-A198 PolarHBondContact N-O 3.17Å; A186-A198 PolarHBondContact O-N 2.82Å; A198-F223 HydrophobicContact CB-CE2 4.47Å; A198-V224 CarbonylContact C-O 3.58Å; A198-V224 VanDerWaalsContact CA-O 3.22Å; A198-V224 WeakPolarHBondContact CA-O 3.42Å; A198-T225 HydrophobicContact CB-CG2 4.4Å
199S97.4Very high96.6Very high24 Ų2451.2 Ų51.217%0.16828%0.284CS..EExtended strand (participates in β ladder)trans-140.7135.1174.8-161.20000109.5L184 T185 F223 V224L184-S199 CarbonylContact O-C 3.42Å; L184-S199 VanDerWaalsContact O-CA 3.32Å; L184-S199 WeakPolarHBondContact O-CA 3.28Å; T185-S199 PolarHBondContact OG1-OG 3.15Å; S199-F223 CarbonylContact O-C 3.55Å; S199-F223 WeakPolarHBondContact O-CA 3.41Å; S199-F223 WeakPolarHBondContact O-CD2 3.23Å; S199-V224 PolarHBondContact N-O 3.15Å; S199-V224 PolarHBondContact O-N 3.22Å
200A98Very high96.7Very high33 Ų3351 Ų5127%0.27328%0.282SS..EExtended strand (participates in β ladder)trans-121.5140.2171.700000109S183 L184 F221 T222 F223S183-A200 CarbonylContact C-O 3.43Å; S183-A200 WeakPolarHBondContact CA-O 3.17Å; S183-A200 VanDerWaalsContact CB-O 3.28Å; S183-A200 WeakPolarHBondContact CB-O 3.45Å; L184-A200 PolarHBondContact N-O 3.08Å; L184-A200 PolarHBondContact O-N 2.88Å; A200-F221 HydrophobicContact CB-CE2 4.38Å; A200-F221 HydrophobicContact CB-CZ 4.42Å; A200-T222 CarbonylContact C-O 3.54Å; A200-T222 WeakPolarHBondContact CA-O 3.29Å; A200-F223 HydrophobicContact CB-CD2 4.09Å
201G97.3Very high96.8Very high17 Ų1752 Ų5218%0.17529%0.289CS..EExtended strand (participates in β ladder)trans-137.5140.8176.700000110.3V182 F221 T222V182-G201 WeakPolarHBondContact O-CA 3.08Å; G201-F221 WeakPolarHBondContact O-CA 3.36Å; G201-F221 VanDerWaalsContact O-CD2 3.31Å; G201-F221 WeakPolarHBondContact O-CD2 3.43Å; G201-T222 PolarHBondContact N-O 3.38Å; G201-T222 PolarHBondContact O-N 3.19Å
202Y97.4Very high97Very high63 Ų6350.1 Ų50.125%0.24727%0.269CS..EExtended strand (participates in β ladder)trans-130.8130.7176.4176.9-94.9000108.9Y181 V182 E204 E219 S220Y181-Y202 CarbonylContact C-O 3.5Å; Y181-Y202 WeakPolarHBondContact CA-O 3.4Å; Y181-Y202 WeakPolarHBondContact CB-O 3.47Å; V182-Y202 HydrophobicContact CG2-CD1 4.31Å; V182-Y202 PolarHBondContact N-O 3.41Å; V182-Y202 PolarHBondContact O-N 3.33Å; Y202-E204 HydrophobicContact CE1-CG 3.76Å; Y202-E204 WeakPolarHBondContact CE1-OE1 3.38Å; Y202-E204 PolarHBondContact OH-OE1 2.73Å; Y202-E204 PolarHBondContact OH-OE2 3.1Å; Y202-E219 HydrophobicContact CE2-CB 3.69Å; Y202-E219 HydrophobicContact CE2-CG 4.14Å; Y202-E219 WeakPolarHBondContact CE2-OE2 3.32Å; Y202-E219 PolarHBondContact OH-OE2 2.89Å; Y202-S220 WeakPolarHBondContact CA-O 3.46Å
203S97.5Very high97.4Very high25 Ų2545 Ų4518%0.17525%0.248CC..EExtended strand (participates in β ladder)trans-127.5133.3176.1-57.40000109.9P180 Y181 E219 S220P180-S203 WeakPolarHBondContact O-CA 3.39Å; Y181-S203 VanDerWaalsContact CB-OG 3.31Å; Y181-S203 WeakPolarHBondContact CB-OG 3.2Å; S203-E219 CarbonylContact O-C 3.56Å; S203-E219 WeakPolarHBondContact O-CA 3.48Å; S203-S220 PolarHBondContact N-O 2.84Å; S203-S220 PolarHBondContact O-N 2.69Å
204E96.5Very high97.5Very high95 Ų9541.5 Ų41.544%0.44423%0.232SC..EExtended strand (participates in β ladder)trans-82.2126.6167.6-64.2-77.6-177.300107.9P180 Y202P180-E204 HydrophobicContact CG-CB 4.07Å; P180-E204 PolarHBondContact O-N 2.86Å; P180-E204 VanDerWaalsContact O-N 3.1Å; Y202-E204 HydrophobicContact CE1-CG 3.76Å; Y202-E204 WeakPolarHBondContact CE1-OE1 3.38Å; Y202-E204 PolarHBondContact OH-OE1 2.73Å; Y202-E204 PolarHBondContact OH-OE2 3.1Å
205L96.6Very high97.4Very high18 Ų1840.1 Ų40.19%0.09422%0.223CC..PPolyproline II helixtrans-88.6123.9177.9-58.6178.6000108.6P21 V179 I209 T210 N218P21-L205 HydrophobicContact CB-CD1 3.63Å; P21-L205 HydrophobicContact CG-CD1 4.47Å; V179-L205 HydrophobicContact CG1-CD2 4.34Å; L205-I209 HydrophobicContact CB-CB 4.47Å; L205-I209 HydrophobicContact CB-CG2 4.31Å; L205-I209 HydrophobicContact CD1-CG2 4.36Å; L205-I209 HydrophobicContact CD2-CD1 4.39Å; L205-T210 HydrophobicContact CB-CG2 3.5Å; L205-T210 WeakPolarHBondContact O-CG2 3.22Å; L205-N218 WeakPolarHBondContact CB-O 3.46Å; L205-N218 PolarHBondContact N-O 2.96Å
206P97.3Very high97.2Very high26 Ų2643.4 Ų43.417%0.16924%0.24CC..PPolyproline II helixtrans-75.9173-178.436.6-40.2000111.5A177 V179 E208 I209 T210A177-P206 HydrophobicContact CB-CG 4.01Å; V179-P206 HydrophobicContact CG2-CG 4.26Å; P206-E208 VanDerWaalsContact C-N 3.25Å; P206-E208 VanDerWaalsContact CB-OE2 3.31Å; P206-E208 WeakPolarHBondContact CB-OE2 3.42Å; P206-E208 PolarHBondContact O-N 2.61Å; P206-I209 HydrophobicContact CG-CD1 4.37Å; P206-I209 HydrophobicContact CG-CG1 4.27Å; P206-I209 PolarHBondContact O-N 3.12Å; P206-T210 WeakPolarHBondContact O-CG2 3.28Å; P206-T210 PolarHBondContact O-N 3.48Å; P206-T210 PolarHBondContact O-OG1 3.39Å
207E97Very high96.9Very high129 Ų12944.3 Ų44.360%0.60324%0.238SC*.Hα-helixtrans-61.7-31.4-177.661.6-173.9-168.400113Y172 I209 T210 D211Y172-E207 PolarHBondContact OH-O 2.85Å; E207-I209 PolarHBondContact O-N 2.8Å; E207-I209 VanDerWaalsContact O-N 3.09Å; E207-T210 WeakPolarHBondContact CA-OG1 3.38Å; E207-T210 PolarHBondContact O-N 3.08Å; E207-D211 VanDerWaalsContact O-CB 3.25Å; E207-D211 WeakPolarHBondContact O-CB 3.47Å; E207-D211 PolarHBondContact O-N 2.98Å
208E97.6Very high96.7Very high52 Ų5247.9 Ų47.924%0.24326%0.258CS..Hα-helixtrans-63.6-17.3175.4-5984.6177.800113.4Y172 Q175 A177 P206Y172-E208 WeakPolarHBondContact OH-CA 3.08Å; Y172-E208 PolarHBondContact OH-O 3.45Å; Y172-E208 VanDerWaalsContact OH-O 3.1Å; Q175-E208 HydrophobicContact CB-CG 4.29Å; A177-E208 HydrophobicContact CB-CB 4.19Å; P206-E208 VanDerWaalsContact C-N 3.25Å; P206-E208 VanDerWaalsContact CB-OE2 3.31Å; P206-E208 WeakPolarHBondContact CB-OE2 3.42Å; P206-E208 PolarHBondContact O-N 2.61Å
209I97.5Very high96.4Very high0 Ų051.1 Ų51.10%027%0.267CS..Hα-helixtrans-102-48.2171.7-61.9-175.8000110Y148 Y157 A177 V179 L205 P206 E207 D211 S212 I215Y148-I209 HydrophobicContact CD2-CD1 4.14Å; Y148-I209 HydrophobicContact CE2-CD1 4.12Å; Y157-I209 HydrophobicContact CD1-CG2 3.93Å; Y157-I209 HydrophobicContact CD2-CD1 4.34Å; Y157-I209 HydrophobicContact CD2-CG1 3.92Å; Y157-I209 HydrophobicContact CD2-CG2 4.33Å; Y157-I209 HydrophobicContact CE1-CG2 3.75Å; Y157-I209 HydrophobicContact CE2-CD1 3.68Å; Y157-I209 HydrophobicContact CE2-CG1 3.79Å; Y157-I209 HydrophobicContact CE2-CG2 4.18Å; Y157-I209 HydrophobicContact CG-CG2 4.21Å; A177-I209 HydrophobicContact CB-CD1 4.12Å; A177-I209 HydrophobicContact CB-CG1 4Å; V179-I209 HydrophobicContact CG2-CD1 3.75Å; L205-I209 HydrophobicContact CB-CB 4.47Å; L205-I209 HydrophobicContact CB-CG2 4.31Å; L205-I209 HydrophobicContact CD1-CG2 4.36Å; L205-I209 HydrophobicContact CD2-CD1 4.39Å; P206-I209 HydrophobicContact CG-CD1 4.37Å; P206-I209 HydrophobicContact CG-CG1 4.27Å; P206-I209 PolarHBondContact O-N 3.12Å; E207-I209 PolarHBondContact O-N 2.8Å; E207-I209 VanDerWaalsContact O-N 3.09Å; I209-D211 PolarHBondContact O-N 3.07Å; I209-S212 VanDerWaalsContact O-CB 3.23Å; I209-S212 WeakPolarHBondContact O-CB 3.1Å; I209-S212 PolarHBondContact O-N 3.04Å; I209-I215 HydrophobicContact CG2-CG1 4.16Å; I209-I215 VanDerWaalsContact O-CG1 3.24Å; I209-I215 WeakPolarHBondContact O-CG1 3.26Å
210T97.6Very high96.2Very high31 Ų3151 Ų5119%0.1927%0.266CS..Hα-helixtrans-76.1-22.5-169.355.30000114.6L205 P206 E207 S212 I215 N218L205-T210 HydrophobicContact CB-CG2 3.5Å; L205-T210 WeakPolarHBondContact O-CG2 3.22Å; P206-T210 WeakPolarHBondContact O-CG2 3.28Å; P206-T210 PolarHBondContact O-N 3.48Å; P206-T210 PolarHBondContact O-OG1 3.39Å; E207-T210 WeakPolarHBondContact CA-OG1 3.38Å; E207-T210 PolarHBondContact O-N 3.08Å; T210-S212 PolarHBondContact O-N 3.18Å; T210-I215 HydrophobicContact CG2-CG2 4.45Å; T210-N218 HydrophobicContact CG2-CB 4.37Å
211D97.8Very high96Very high106 Ų10653.3 Ų53.357%0.56727%0.27SS*.THydrogen-bonded Turntrans-76.3-11.7172.8-77.2-11.1000112.6Y172 E207 I209 P213Y172-D211 HydrophobicContact CE2-CB 3.75Å; E207-D211 VanDerWaalsContact O-CB 3.25Å; E207-D211 WeakPolarHBondContact O-CB 3.47Å; E207-D211 PolarHBondContact O-N 2.98Å; I209-D211 PolarHBondContact O-N 3.07Å; D211-P213 WeakPolarHBondContact O-CD 3.29Å
212S98.1Very high95.9Very high2 Ų254.9 Ų54.91%0.01428%0.276CS..SBendtrans-61.9129.4172.3174.70000110.1Y157 I209 T210 M214 I215Y157-S212 VanDerWaalsContact O-CB 3.26Å; Y157-S212 WeakPolarHBondContact O-CB 3.11Å; Y157-S212 PolarHBondContact O-OG 3.05Å; I209-S212 VanDerWaalsContact O-CB 3.23Å; I209-S212 WeakPolarHBondContact O-CB 3.1Å; I209-S212 PolarHBondContact O-N 3.04Å; T210-S212 PolarHBondContact O-N 3.18Å; S212-M214 PolarHBondContact O-N 3.06Å; S212-M214 WeakPolarHBondContact OG-CB 3.18Å; S212-M214 PolarHBondContact OG-N 3.21Å; S212-I215 PolarHBondContact O-N 2.66Å
213P97.9Very high95.9Very high37 Ų3755.8 Ų55.824%0.2428%0.282CS..THydrogen-bonded Turntrans-61.2-9.2173.8-22.933.7000114.4I159 L169 A170 D211 I215I159-P213 HydrophobicContact CD1-CB 3.73Å; I159-P213 HydrophobicContact CD1-CG 3.89Å; L169-P213 HydrophobicContact CB-CB 4.2Å; L169-P213 HydrophobicContact CD2-CB 4.19Å; A170-P213 HydrophobicContact CB-CG 4.13Å; D211-P213 WeakPolarHBondContact O-CD 3.29Å; P213-I215 VanDerWaalsContact C-N 3.31Å
214M97.2Very high95.9Very high0 Ų055.6 Ų55.60%028%0.279CS..THydrogen-bonded Turntrans-75.2-19.5172.7-60.7-176.768.600113.1Y22 R23 F72 M82 L85 I159 S212Y22-M214 CarbonylContact C-O 3.58Å; Y22-M214 WeakPolarHBondContact CA-O 3.43Å; Y22-M214 HydrophobicContact CD1-CB 4.04Å; Y22-M214 HydrophobicContact CD1-CE 3.91Å; Y22-M214 HydrophobicContact CE1-CB 4.37Å; Y22-M214 HydrophobicContact CE1-CE 3.65Å; Y22-M214 HydrophobicContact CE1-SD 4.48Å; R23-M214 PolarHBondContact N-O 3.26Å; F72-M214 HydrophobicContact CB-CE 4.45Å; F72-M214 HydrophobicContact CD1-CE 3.88Å; F72-M214 HydrophobicContact CD2-CE 3.86Å; F72-M214 HydrophobicContact CE1-CE 4.06Å; F72-M214 HydrophobicContact CE2-CE 4.1Å; F72-M214 HydrophobicContact CG-CE 3.78Å; F72-M214 HydrophobicContact CZ-CE 4.19Å; M82-M214 HydrophobicContact CE-CB 3.85Å; M82-M214 HydrophobicContact CE-CE 4.19Å; M82-M214 HydrophobicContact CE-CG 4.14Å; M82-M214 HydrophobicContact SD-CB 4.44Å; L85-M214 HydrophobicContact CD1-CE 3.94Å; L85-M214 HydrophobicContact CD1-CG 3.7Å; L85-M214 HydrophobicContact CD1-SD 4.04Å; I159-M214 HydrophobicContact CD1-CG 3.82Å; I159-M214 HydrophobicContact CG1-CG 3.87Å; I159-M214 HydrophobicContact CG1-SD 4.16Å; S212-M214 PolarHBondContact O-N 3.06Å; S212-M214 WeakPolarHBondContact OG-CB 3.18Å; S212-M214 PolarHBondContact OG-N 3.21Å
215I96.4Very high95.9Very high18 Ų1853.9 Ų53.99%0.09228%0.275CS..BIsolated β-bridgetrans-107.2133.9-167.5-57.5-54.8000110.7P21 Y22 Y157 I209 T210 S212 P213 R217P21-I215 HydrophobicContact CB-CD1 4.08Å; P21-I215 HydrophobicContact CB-CG2 4.46Å; P21-I215 HydrophobicContact CG-CD1 4.28Å; P21-I215 WeakPolarHBondContact O-CA 3.39Å; P21-I215 WeakPolarHBondContact O-CD1 3.2Å; Y22-I215 HydrophobicContact CD1-CD1 3.65Å; Y22-I215 HydrophobicContact CE1-CD1 3.97Å; Y22-I215 HydrophobicContact CG-CD1 4.46Å; Y157-I215 HydrophobicContact CD1-CD1 3.89Å; Y157-I215 HydrophobicContact CD1-CG1 4.23Å; Y157-I215 HydrophobicContact CE1-CD1 4.07Å; I209-I215 HydrophobicContact CG2-CG1 4.16Å; I209-I215 VanDerWaalsContact O-CG1 3.24Å; I209-I215 WeakPolarHBondContact O-CG1 3.26Å; T210-I215 HydrophobicContact CG2-CG2 4.45Å; S212-I215 PolarHBondContact O-N 2.66Å; P213-I215 VanDerWaalsContact C-N 3.31Å; I215-R217 WeakPolarHBondContact CG2-O 3.02Å
216D93.4Very high96Very high89 Ų8953.8 Ų53.848%0.47628%0.279SS..  trans-120.810.9177.368.7-3.6000113.5P21 R23P21-D216 PolarHBondContact O-N 2.89Å; R23-D216 WeakPolarHBondContact CA-OD2 3.46Å; R23-D216 HydrophobicContact CB-CB 4.2Å
217R90.9Very high96Very high95 Ų9555.9 Ų55.936%0.35829%0.291SS..  trans-138.2145.4-176.8-68.8169-172.3-92.210111.5E19 I215E19-R217 IonicContact OE2-CZ 3.89Å; E19-R217 IonicContact OE2-NH1 2.67Å; E19-R217 PolarHBondContact OE2-NH1 2.66Å; E19-R217 IonicContact OE2-NH2 2.82Å; E19-R217 PolarHBondContact OE2-NH2 2.76Å; I215-R217 WeakPolarHBondContact CG2-O 3.02Å
218N92.9Very high96Very high112 Ų11250.6 Ų50.660%0.59927%0.268SS*.SBendtrans-97.5-2179.4-59-0.3000112.9L205 T210L205-N218 WeakPolarHBondContact CB-O 3.46Å; L205-N218 PolarHBondContact N-O 2.96Å; T210-N218 HydrophobicContact CG2-CB 4.37Å
219E92.4Very high96Very high102 Ų10254 Ų5448%0.47728%0.279SS..EExtended strand (participates in β ladder)trans-142.8155-174.860.4-176.2-152.900110.5Y202 S203Y202-E219 HydrophobicContact CE2-CB 3.69Å; Y202-E219 HydrophobicContact CE2-CG 4.14Å; Y202-E219 WeakPolarHBondContact CE2-OE2 3.32Å; Y202-E219 PolarHBondContact OH-OE2 2.89Å; S203-E219 CarbonylContact O-C 3.56Å; S203-E219 WeakPolarHBondContact O-CA 3.48Å
220S93.1Very high95.8Very high21 Ų2158.3 Ų58.315%0.14730%0.295CS..EExtended strand (participates in β ladder)trans-123.2128.1172-171.90000110.2Y202 S203Y202-S220 WeakPolarHBondContact CA-O 3.46Å; S203-S220 PolarHBondContact N-O 2.84Å; S203-S220 PolarHBondContact O-N 2.69Å
221F94.6Very high95.6Very high81 Ų8164.5 Ų64.536%0.35532%0.32SS..EExtended strand (participates in β ladder)trans-118133.5176.1-178.5-100.9000110.5Y17 N18 A200 G201 F223Y17-F221 HydrophobicContact CD1-CD1 4.42Å; N18-F221 PolarHBondContact ND2-O 3.3Å; A200-F221 HydrophobicContact CB-CE2 4.38Å; A200-F221 HydrophobicContact CB-CZ 4.42Å; G201-F221 WeakPolarHBondContact O-CA 3.36Å; G201-F221 VanDerWaalsContact O-CD2 3.31Å; G201-F221 WeakPolarHBondContact O-CD2 3.43Å; F221-F223 HydrophobicContact CE1-CB 3.67Å; F221-F223 HydrophobicContact CZ-CB 4.02Å
222T94.4Very high95.5Very high50 Ų5062.4 Ų62.431%0.30731%0.307SS..EExtended strand (participates in β ladder)trans-128.9131.9175.3-58.90000110.1Y17 N18 A200 G201 V224Y17-T222 CarbonylContact O-C 3.59Å; Y17-T222 WeakPolarHBondContact O-CA 3.37Å; N18-T222 PolarHBondContact ND2-OG1 3.39Å; A200-T222 CarbonylContact C-O 3.54Å; A200-T222 WeakPolarHBondContact CA-O 3.29Å; G201-T222 PolarHBondContact N-O 3.38Å; G201-T222 PolarHBondContact O-N 3.19Å; T222-V224 HydrophobicContact CG2-CG2 4.19Å
223F97Very high95.3Very high83 Ų8365.6 Ų65.636%0.36432%0.323SS..EExtended strand (participates in β ladder)trans-129.6119.4174.6-178.5-114000111A16 Y17 A198 S199 A200 F221 T225A16-F223 CarbonylContact C-O 3.46Å; Y17-F223 PolarHBondContact N-O 3.44Å; Y17-F223 PolarHBondContact O-N 2.85Å; A198-F223 HydrophobicContact CB-CE2 4.47Å; S199-F223 CarbonylContact O-C 3.55Å; S199-F223 WeakPolarHBondContact O-CA 3.41Å; S199-F223 WeakPolarHBondContact O-CD2 3.23Å; A200-F223 HydrophobicContact CB-CD2 4.09Å; F221-F223 HydrophobicContact CE1-CB 3.67Å; F221-F223 HydrophobicContact CZ-CB 4.02Å; F223-T225 HydrophobicContact CD1-CG2 4.11Å; F223-T225 HydrophobicContact CE1-CG2 3.27Å; F223-T225 HydrophobicContact CE2-CG2 4.25Å; F223-T225 HydrophobicContact CZ-CG2 3.35Å
224V96.9Very high95.2Very high21 Ų2167.2 Ų67.213%0.12733%0.327CS..EExtended strand (participates in β ladder)trans-112.2135.1179.4176.40000109.4A15 A16 I32 M197 A198 S199 T222A15-V224 WeakPolarHBondContact O-CA 3.39Å; A16-V224 HydrophobicContact CB-CG2 3.94Å; I32-V224 HydrophobicContact CD1-CB 4.39Å; I32-V224 HydrophobicContact CD1-CG1 3.4Å; I32-V224 HydrophobicContact CD1-CG2 4.05Å; I32-V224 HydrophobicContact CG1-CG1 4.45Å; M197-V224 HydrophobicContact CE-CG1 3.71Å; A198-V224 CarbonylContact C-O 3.58Å; A198-V224 VanDerWaalsContact CA-O 3.22Å; A198-V224 WeakPolarHBondContact CA-O 3.42Å; S199-V224 PolarHBondContact N-O 3.15Å; S199-V224 PolarHBondContact O-N 3.22Å; T222-V224 HydrophobicContact CG2-CG2 4.19Å
225T98Very high95.1Very high59 Ų5971.1 Ų71.136%0.36235%0.347SS..EExtended strand (participates in β ladder)trans-129150.1167.260.40000110.1G14 A15 M197 A198 F223G14-T225 CarbonylContact C-O 3.54Å; G14-T225 WeakPolarHBondContact CA-O 3.27Å; A15-T225 PolarHBondContact N-O 2.85Å; A15-T225 PolarHBondContact O-N 2.87Å; M197-T225 CarbonylContact O-C 3.57Å; M197-T225 WeakPolarHBondContact O-CA 3.25Å; A198-T225 HydrophobicContact CB-CG2 4.4Å; F223-T225 HydrophobicContact CD1-CG2 4.11Å; F223-T225 HydrophobicContact CE1-CG2 3.27Å; F223-T225 HydrophobicContact CE2-CG2 4.25Å; F223-T225 HydrophobicContact CZ-CG2 3.35Å
226G97.8Very high95Very high16 Ų1674.4 Ų74.417%0.16536%0.362CS..EExtended strand (participates in β ladder)trans-179-177.4174.300000114.9A13 M197A13-G226 VanDerWaalsContact O-CA 3.31Å; A13-G226 WeakPolarHBondContact O-CA 3.33Å; M197-G226 PolarHBondContact N-O 2.71Å; M197-G226 PolarHBondContact O-N 2.82Å
227V98Very high95.1Very high70 Ų7073.5 Ų73.542%0.42436%0.355SS..EExtended strand (participates in β ladder)trans-133.5139.5-178.261.40000109.3G12 A13 V194 V195 L196G12-V227 CarbonylContact C-O 3.59Å; G12-V227 WeakPolarHBondContact CA-O 3.44Å; A13-V227 PolarHBondContact N-O 3.12Å; A13-V227 PolarHBondContact O-N 2.85Å; V194-V227 HydrophobicContact CG1-CG2 3.7Å; V195-V227 WeakPolarHBondContact O-CA 3.4Å; L196-V227 HydrophobicContact CD2-CB 4.26Å; L196-V227 HydrophobicContact CD2-CG2 4.12Å
228S97.1Very high95.4Very high18 Ų1871.9 Ų71.913%0.12636%0.355CS..EExtended strand (participates in β ladder)trans-135.6152.4176.464.30000111.7S10 I11 V195S10-S228 WeakPolarHBondContact OG-CB 3.43Å; S10-S228 PolarHBondContact OG-OG 2.9Å; I11-S228 CarbonylContact O-C 3.51Å; I11-S228 WeakPolarHBondContact O-CA 3.21Å; V195-S228 PolarHBondContact N-O 2.82Å; V195-S228 PolarHBondContact O-N 3.08Å
229W96.8Very high95.6Very high122 Ų12268.8 Ų68.846%0.46234%0.336SS..EExtended strand (participates in β ladder)trans-102.9115174.2-175.8-79.4000109.1S10 I11 H193 V194 F231S10-W229 VanDerWaalsContact CA-O 3.26Å; S10-W229 WeakPolarHBondContact CA-O 3.28Å; S10-W229 PolarHBondContact OG-O 2.63Å; I11-W229 PolarHBondContact N-O 3.41Å; I11-W229 PolarHBondContact O-N 3.2Å; H193-W229 HydrophobicContact CB-CD2 3.76Å; H193-W229 VanDerWaalsContact CB-CE2 3.48Å; H193-W229 HydrophobicContact CB-CE3 3.97Å; H193-W229 HydrophobicContact CB-CG 4.45Å; H193-W229 HydrophobicContact CB-CH2 3.73Å; H193-W229 HydrophobicContact CB-CZ2 3.48Å; H193-W229 VanDerWaalsContact CB-CZ2 3.48Å; H193-W229 HydrophobicContact CB-CZ3 3.96Å; H193-W229 AromaticContact CG-CE2 3.84Å; H193-W229 AromaticContact CG-CH2 3.92Å; H193-W229 AromaticContact CG-CZ2 3.47Å; H193-W229 VanDerWaalsContact CG-CZ2 3.47Å; H193-W229 AromaticContact ND1-CH2 3.75Å; H193-W229 AromaticContact ND1-CZ2 3.57Å; H193-W229 CarbonylContact O-C 3.54Å; H193-W229 WeakPolarHBondContact O-CA 3.26Å; V194-W229 HydrophobicContact CG2-CE3 4.16Å; V194-W229 HydrophobicContact CG2-CZ3 4.19Å; W229-F231 AromaticContact CD1-CE1 3.98Å; W229-F231 AromaticContact CD1-CE2 3.9Å; W229-F231 AromaticContact CD1-CZ 3.88Å
230R94.4Very high95.9Very high92 Ų9266.1 Ų66.135%0.34732%0.324SS..EExtended strand (participates in β ladder)trans-83.9127.9171-176177.664.6160.93.8109.7L9 E192 H193 V195L9-R230 WeakPolarHBondContact O-CA 3.34Å; E192-R230 PolarHBondContact O-NE 3.07Å; E192-R230 PolarHBondContact O-NH2 2.83Å; H193-R230 PolarHBondContact CD2-O 3.23Å; H193-R230 PolarHBondContact O-N 2.68Å; V195-R230 HydrophobicContact CG2-CB 4.4Å
231F92.2Very high96.1Very high160 Ų16070.2 Ų70.270%0.70234%0.34SS*.  trans-85.70177.8-65.9-93.7000112.2L9 I11 W229L9-F231 HydrophobicContact CB-CB 4.47Å; L9-F231 HydrophobicContact CB-CD2 4.18Å; L9-F231 HydrophobicContact CD2-CD2 3.9Å; L9-F231 HydrophobicContact CD2-CE2 4.21Å; L9-F231 HydrophobicContact CD2-CG 4.42Å; L9-F231 HydrophobicContact CG-CD2 3.82Å; L9-F231 HydrophobicContact CG-CE2 4.29Å; L9-F231 PolarHBondContact O-N 3.27Å; I11-F231 HydrophobicContact CB-CE2 4.22Å; I11-F231 HydrophobicContact CD1-CE2 3.99Å; I11-F231 HydrophobicContact CD1-CZ 4.4Å; I11-F231 HydrophobicContact CG1-CE2 4.04Å; W229-F231 AromaticContact CD1-CE1 3.98Å; W229-F231 AromaticContact CD1-CE2 3.9Å; W229-F231 AromaticContact CD1-CZ 3.88Å

Retrieved 231 of 231 residues in 685.4 ms (Link to these results)

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