A0A087Y5G3_POEFO Loading...

Coronin

AlphaFold DB , UniProt , Accession A0A087Y5G3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 456 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
1M38.9Very low68.1Low244 Ų244125 Ų125100%1.20264%0.636SS**  094.60-75.7-174.3-117.800108.2R3M1-R3 PolarHBondContact O-N 3.25Å
2S41.5Very low70.3Confident120 Ų120124.8 Ų124.884%0.83962%0.622SS**  trans-65.4119.2173.31750000107.9K4S2-K4 PolarHBondContact O-N 2.85Å
3R44.5Very low72.2Confident236 Ų236125.6 Ų125.689%0.89162%0.622SS**  trans-62.1102.9170.1-76.4179174.6173.9-2106.2M1 V5M1-R3 PolarHBondContact O-N 3.25Å; R3-V5 PolarHBondContact O-N 3.43Å
4K53.8Low74Confident196 Ų196116.9 Ų116.985%0.85258%0.58SS**  trans-54.4106.9168.1-109.9-177.5175.3-178.40106.3S2 V6S2-K4 PolarHBondContact O-N 2.85Å; K4-V6 PolarHBondContact O-N 3.47Å
5V57.9Low75.6Confident140 Ų140114.6 Ų114.685%0.84857%0.565SS**  trans-60.7112.5172.3177.70000105.4R3 R7R3-V5 PolarHBondContact O-N 3.43Å; V5-R7 PolarHBondContact O-N 3.31Å
6V65.7Low77Confident117 Ų117108.5 Ų108.571%0.70954%0.541SS*.  trans-68.7116.6177.2177.30000106.3K4 T8K4-V6 PolarHBondContact O-N 3.47Å; V6-T8 PolarHBondContact O-N 3.31Å
7R81.1Confident78.3Confident65 Ų65109.2 Ų109.225%0.24554%0.542CS..  trans-52.5126.5175179-178.1164.4-110.1-25.9108.9V5 S9 E295 H304V5-R7 PolarHBondContact O-N 3.31Å; R7-S9 PolarHBondContact O-N 3.46Å; R7-E295 IonicContact CZ-OE2 3.12Å; R7-E295 IonicContact NH1-OE2 2.76Å; R7-E295 PolarHBondContact NH1-OE2 3.48Å; R7-E295 VanDerWaalsContact NH1-OE2 3.1Å; R7-E295 IonicContact NH2-OE1 2.84Å; R7-E295 PolarHBondContact NH2-OE1 2.87Å; R7-E295 IonicContact NH2-OE2 2.92Å; R7-E295 PolarHBondContact NH2-OE2 2.81Å; R7-H304 WeakPolarHBondContact CD-ND1 3.23Å; R7-H304 PolarHBondContact NH1-CD2 3.02Å
8T85.1Confident79.3Confident141 Ų141105.2 Ų105.287%0.86553%0.529SS*.  trans-85.3106.6178.3-58.40000108.1V6V6-T8 PolarHBondContact O-N 3.31Å
9S90.8Very high80.3Confident17 Ų17101.4 Ų101.412%0.11951%0.511CS..  trans-114.1130172168.50000109.2R7 F11 R12 E295R7-S9 PolarHBondContact O-N 3.46Å; S9-F11 PolarHBondContact O-N 2.95Å; S9-F11 PolarHBondContact OG-N 2.88Å; S9-R12 VanDerWaalsContact O-CB 3.3Å; S9-R12 WeakPolarHBondContact O-CB 3.47Å; S9-R12 PolarHBondContact O-N 2.96Å; S9-R12 PolarHBondContact OG-N 3.17Å; S9-E295 WeakPolarHBondContact CB-OE2 3.28Å; S9-E295 PolarHBondContact OG-OE2 3.44Å
10K93.8Very high81Confident96 Ų96103.9 Ų103.942%0.41752%0.519SS..THydrogen-bonded Turntrans-65-16.1172.467.9-174.8-178.3-173.50112.5D361 L362K10-D361 PolarHBondContact NZ-O 3.05Å; K10-L362 HydrophobicContact CD-CD2 4.32Å
11F96.2Very high81.6Confident3 Ų3102.4 Ų102.41%0.01352%0.523CS..THydrogen-bonded Turntrans-99.92.1-179.9-54.2-64.4000113.7S9 H13 V14 T278 I280 E295 L306 I333 V351 L362S9-F11 PolarHBondContact O-N 2.95Å; S9-F11 PolarHBondContact OG-N 2.88Å; F11-H13 PolarHBondContact O-N 2.92Å; F11-V14 HydrophobicContact CB-CG2 3.91Å; F11-V14 HydrophobicContact CD1-CG2 4.18Å; F11-V14 WeakPolarHBondContact O-CB 3.47Å; F11-V14 VanDerWaalsContact O-CG2 3.3Å; F11-V14 WeakPolarHBondContact O-CG2 3.37Å; F11-V14 PolarHBondContact O-N 3.19Å; F11-T278 HydrophobicContact CE1-CG2 3.84Å; F11-T278 VanDerWaalsContact CE2-O 3.24Å; F11-T278 WeakPolarHBondContact CE2-O 3.2Å; F11-T278 VanDerWaalsContact CZ-CB 3.46Å; F11-T278 HydrophobicContact CZ-CG2 3.72Å; F11-I280 HydrophobicContact CB-CD1 3.87Å; F11-I280 HydrophobicContact CD1-CD1 3.78Å; F11-I280 HydrophobicContact CD2-CD1 4.19Å; F11-I280 HydrophobicContact CD2-CG1 4.32Å; F11-I280 HydrophobicContact CE1-CD1 4.3Å; F11-I280 HydrophobicContact CG-CD1 3.7Å; F11-I280 HydrophobicContact CG-CG1 4.31Å; F11-E295 HydrophobicContact CD2-CG 4.33Å; F11-L306 HydrophobicContact CB-CD1 3.86Å; F11-L306 HydrophobicContact CB-CD2 4.37Å; F11-I333 HydrophobicContact CD1-CD1 4.37Å; F11-V351 HydrophobicContact CD1-CG2 3.95Å; F11-V351 HydrophobicContact CE1-CG2 4.31Å; F11-L362 HydrophobicContact CE1-CD2 3.9Å
12R93.8Very high84.2Confident122 Ų12296 Ų9646%0.4649%0.493SS..THydrogen-bonded Turntrans-52.6-32.3-178.6177.460.7-172.899.2-8.2114S9 L306S9-R12 VanDerWaalsContact O-CB 3.3Å; S9-R12 WeakPolarHBondContact O-CB 3.47Å; S9-R12 PolarHBondContact O-N 2.96Å; S9-R12 PolarHBondContact OG-N 3.17Å; R12-L306 PolarHBondContact NH1-O 3.24Å
13H95.6Very high86.8Confident136 Ų13694.6 Ų94.663%0.6347%0.474SS*.THydrogen-bonded Turntrans-108.816.4-175.3-59.5-63.4000113.2F11 F15 P352F11-H13 PolarHBondContact O-N 2.92Å; H13-F15 PolarHBondContact O-N 2.8Å; H13-P352 HydrophobicContact CB-CG 3.78Å; H13-P352 WeakPolarHBondContact O-CD 3.29Å; H13-P352 WeakPolarHBondContact O-CG 3.41Å
14V97.9Very high89.4Confident4 Ų483.6 Ų83.62%0.02443%0.433CS..  trans-55134.4168170.80000108.8F11 I280 Y293 I333 M349 T350 V351F11-V14 HydrophobicContact CB-CG2 3.91Å; F11-V14 HydrophobicContact CD1-CG2 4.18Å; F11-V14 WeakPolarHBondContact O-CB 3.47Å; F11-V14 VanDerWaalsContact O-CG2 3.3Å; F11-V14 WeakPolarHBondContact O-CG2 3.37Å; F11-V14 PolarHBondContact O-N 3.19Å; V14-I280 HydrophobicContact CG2-CD1 4.45Å; V14-Y293 HydrophobicContact CB-CE2 4.13Å; V14-Y293 HydrophobicContact CG1-CD2 4.41Å; V14-Y293 HydrophobicContact CG1-CE2 3.93Å; V14-Y293 PolarHBondContact O-OH 2.75Å; V14-I333 HydrophobicContact CG1-CD1 4.08Å; V14-I333 HydrophobicContact CG2-CD1 3.64Å; V14-M349 HydrophobicContact CG1-CB 4.43Å; V14-M349 HydrophobicContact CG1-CE 4.06Å; V14-T350 WeakPolarHBondContact CA-O 3.31Å; V14-V351 HydrophobicContact CG2-CG2 3.7Å
15F98Very high91.5Very high82 Ų8274.4 Ų74.436%0.3639%0.393SS..EExtended strand (participates in β ladder)trans-135.2148.6175.268.2-83.6000110.3H13 Q17 M349 T350 P352H13-F15 PolarHBondContact O-N 2.8Å; F15-Q17 HydrophobicContact CE2-CB 4.31Å; F15-M349 WeakPolarHBondContact O-CA 3.5Å; F15-T350 HydrophobicContact CE1-CG2 4.15Å; F15-T350 HydrophobicContact CZ-CG2 4.17Å; F15-T350 PolarHBondContact N-O 2.97Å; F15-T350 VanDerWaalsContact N-O 3.17Å; F15-T350 PolarHBondContact O-N 3.26Å; F15-P352 HydrophobicContact CD1-CG 4.42Å; F15-P352 HydrophobicContact CE1-CB 4.06Å; F15-P352 HydrophobicContact CE1-CG 4.33Å
16G98Very high93.4Very high17 Ų1770.1 Ų70.118%0.17537%0.365CS..EExtended strand (participates in β ladder)trans-95.5137.8173.400000111F309 V348 M349G16-F309 WeakPolarHBondContact O-CD2 3.41Å; G16-V348 CarbonylContact C-O 3.59Å; G16-V348 WeakPolarHBondContact CA-O 3.36Å; G16-M349 WeakPolarHBondContact CA-SD 3.15Å
17Q98.1Very high94.8Very high121 Ų12166.7 Ų66.757%0.56534%0.343SS*.EExtended strand (participates in β ladder)trans-130.3119.7174.8-176.4167.920.900109.7F15 I347 V348F15-Q17 HydrophobicContact CE2-CB 4.31Å; Q17-I347 WeakPolarHBondContact O-CA 3.41Å; Q17-V348 PolarHBondContact N-O 2.94Å; Q17-V348 PolarHBondContact O-N 3.16Å
18A97.6Very high95.5Very high37 Ų3763.7 Ų63.731%0.30633%0.332SS..EExtended strand (participates in β ladder)trans-66.1138.6169.200000109.4F309 E345A18-F309 HydrophobicContact CB-CZ 4.35Å; A18-E345 HydrophobicContact CB-CG 4.32Å
19V96.6Very high95.9Very high32 Ų3263.3 Ų63.319%0.19431%0.314CS..PPolyproline II helixtrans-69168175.7-59.90000111.2Q23 P346 V348V19-Q23 HydrophobicContact CB-CB 3.92Å; V19-Q23 HydrophobicContact CG2-CB 3.76Å; V19-P346 HydrophobicContact CB-CB 4.45Å; V19-P346 HydrophobicContact CG1-CB 3.86Å; V19-P346 HydrophobicContact CG2-CB 3.74Å; V19-P346 HydrophobicContact CG2-CG 3.86Å; V19-P346 WeakPolarHBondContact CG2-O 3.41Å; V19-P346 PolarHBondContact N-O 3.43Å; V19-V348 HydrophobicContact CG1-CG2 3.99Å
20K96Very high96.2Very high151 Ų15162.8 Ų62.866%0.65731%0.31SS*.PPolyproline II helixtrans-70.4157.2175.9-63.7178.8-176.1176.40110.5D22 Q23 C24K20-D22 VanDerWaalsContact C-N 3.26Å; K20-D22 WeakPolarHBondContact CB-OD1 3.38Å; K20-D22 PolarHBondContact O-N 2.69Å; K20-Q23 WeakPolarHBondContact O-CA 3.34Å; K20-Q23 WeakPolarHBondContact O-CB 3.3Å; K20-Q23 PolarHBondContact O-N 2.88Å; K20-C24 PolarHBondContact O-N 2.73Å
21A93.5Very high96.3Very high74 Ų7458.6 Ų58.661%0.61229%0.293SS*.G310 helixtrans-57.7-34.6-175.900000113.8Q23 C24A21-Q23 PolarHBondContact O-N 2.7Å; A21-C24 WeakPolarHBondContact O-CB 3.11Å; A21-C24 PolarHBondContact O-N 3.33Å; A21-C24 VanDerWaalsContact O-N 3.12Å
22D93.7Very high96Very high108 Ų10862.4 Ų62.458%0.57832%0.317SS*.G310 helixtrans-67.6-14.5175.760.1-36000114K20 T67K20-D22 VanDerWaalsContact C-N 3.26Å; K20-D22 WeakPolarHBondContact CB-OD1 3.38Å; K20-D22 PolarHBondContact O-N 2.69Å; D22-T67 WeakPolarHBondContact O-CB 3.39Å; D22-T67 PolarHBondContact O-OG1 3.35Å
23Q95.7Very high95.9Very high92 Ų9260 Ų6043%0.4331%0.312SS..G310 helixtrans-102.8-0.9176.2-53.5-178.3-66.400112.5V19 K20 A21 T67V19-Q23 HydrophobicContact CB-CB 3.92Å; V19-Q23 HydrophobicContact CG2-CB 3.76Å; K20-Q23 WeakPolarHBondContact O-CA 3.34Å; K20-Q23 WeakPolarHBondContact O-CB 3.3Å; K20-Q23 PolarHBondContact O-N 2.88Å; A21-Q23 PolarHBondContact O-N 2.7Å; Q23-T67 WeakPolarHBondContact O-CG2 3.37Å
24C97.8Very high95.6Very high4 Ų460.1 Ų60.13%0.02732%0.322CS..SBendtrans-82171.4170.5-66.40000110.7K20 A21 T67 G68 C344K20-C24 PolarHBondContact O-N 2.73Å; A21-C24 WeakPolarHBondContact O-CB 3.11Å; A21-C24 PolarHBondContact O-N 3.33Å; A21-C24 VanDerWaalsContact O-N 3.12Å; C24-T67 CarbonylContact O-C 3.58Å; C24-T67 WeakPolarHBondContact O-CB 3.43Å; C24-G68 PolarHBondContact O-N 3.31Å; C24-C344 WeakPolarHBondContact CA-O 3.36Å; C24-C344 WeakPolarHBondContact CB-O 3.31Å
25Y98.3Very high95.4Very high4 Ų462.2 Ų62.22%0.01633%0.329CS..EExtended strand (participates in β ladder)trans-115106.7172.2-49.4-107.4000107.6V47 L62 L64 K66 T67 Y337 K343 C344 P346Y25-V47 HydrophobicContact CD1-CG1 4.15Å; Y25-V47 HydrophobicContact CE1-CG1 3.6Å; Y25-V47 HydrophobicContact CE2-CG1 4.15Å; Y25-L62 HydrophobicContact CD1-CB 4.4Å; Y25-L62 HydrophobicContact CD1-CD1 3.76Å; Y25-L62 HydrophobicContact CE1-CB 4.33Å; Y25-L62 HydrophobicContact CE1-CD1 4.49Å; Y25-L62 HydrophobicContact CG-CD1 4.44Å; Y25-L64 WeakPolarHBondContact OH-CA 3.33Å; Y25-L64 PolarHBondContact OH-O 3.4Å; Y25-K66 VanDerWaalsContact CD1-O 3.26Å; Y25-K66 WeakPolarHBondContact CD1-O 3.46Å; Y25-K66 WeakPolarHBondContact CE1-O 3.13Å; Y25-T67 HydrophobicContact CE1-CG2 4.15Å; Y25-T67 HydrophobicContact CE2-CG2 4.35Å; Y25-Y337 HydrophobicContact CE2-CD1 4.25Å; Y25-Y337 AromaticContact CE2-CE1 3.92Å; Y25-Y337 HydrophobicContact CE2-CE1 3.92Å; Y25-K343 CarbonylContact O-C 3.33Å; Y25-K343 WeakPolarHBondContact O-CA 3.34Å; Y25-C344 HydrophobicContact CD2-CB 3.7Å; Y25-C344 HydrophobicContact CG-CB 4.1Å; Y25-C344 PolarHBondContact N-O 3.43Å; Y25-C344 PolarHBondContact O-N 3.48Å; Y25-P346 HydrophobicContact CE2-CG 4.02Å
26D97.2Very high94.9Very high50 Ų5060.9 Ų60.927%0.26733%0.326SS..EExtended strand (participates in β ladder)trans-103.9161.8-169.1-66.4-50.2000112.5I28 G68 I70 K343D26-I28 VanDerWaalsContact C-N 3.27Å; D26-I28 PolarHBondContact O-N 3.16Å; D26-G68 PolarHBondContact N-O 3.24Å; D26-I70 PolarHBondContact O-N 2.65Å; D26-K343 WeakPolarHBondContact OD1-CB 3.19Å
27D95.8Very high94.7Very high44 Ų4460.5 Ų60.524%0.23532%0.321CS..SBendtrans65.522.8178.4-98.1-21.7000115.3R69 R342D27-R69 HydrophobicContact CB-CG 4.11Å; D27-R69 IonicContact OD2-CZ 3.37Å; D27-R69 IonicContact OD2-NE 2.73Å; D27-R69 PolarHBondContact OD2-NE 2.91Å; D27-R69 IonicContact OD2-NH2 3.1Å; D27-R69 PolarHBondContact OD2-NH2 3.09Å; D27-R69 VanDerWaalsContact OD2-NH2 3.1Å; D27-R342 PolarHBondContact N-O 2.74Å; D27-R342 IonicContact OD1-NH2 3.14Å; D27-R342 PolarHBondContact OD1-NH2 3.5Å; D27-R342 VanDerWaalsContact OD1-NH2 3.14Å
28I95.6Very high94.5Very high3 Ų357.3 Ų57.32%0.01531%0.307CS..  trans-91.7123.7176.8-52.5176.9000110D26 I30 M49 V51 M60 L62 I70 R342D26-I28 VanDerWaalsContact C-N 3.27Å; D26-I28 PolarHBondContact O-N 3.16Å; I28-I30 HydrophobicContact CB-CD1 4.24Å; I28-I30 HydrophobicContact CG2-CD1 3.66Å; I28-I30 PolarHBondContact O-N 3.35Å; I28-M49 HydrophobicContact CD1-CE 4.3Å; I28-M49 HydrophobicContact CD1-SD 3.6Å; I28-M49 HydrophobicContact CG2-SD 4.41Å; I28-V51 HydrophobicContact CG2-CG1 3.69Å; I28-M60 HydrophobicContact CD1-SD 4.32Å; I28-M60 HydrophobicContact CG1-SD 4.34Å; I28-M60 HydrophobicContact CG2-SD 4.22Å; I28-L62 HydrophobicContact CD1-CD1 3.68Å; I28-I70 HydrophobicContact CD1-CG1 4.04Å; I28-I70 HydrophobicContact CG1-CB 4.18Å; I28-I70 HydrophobicContact CG1-CG1 3.98Å; I28-R342 PolarHBondContact N-O 3.11Å; I28-R342 CarbonylContact O-C 3.55Å; I28-R342 WeakPolarHBondContact O-CA 3.42Å
29R94.9Very high94.5Very high133 Ų13355.7 Ų55.750%0.50229%0.294SS..  trans-81.893.5176.2-68-176.3-70.6178.9-2.2110.8V51 D52R29-V51 CarbonylContact O-C 3.54Å; R29-V51 WeakPolarHBondContact O-CA 3.1Å; R29-V51 WeakPolarHBondContact O-CB 3.24Å; R29-D52 PolarHBondContact O-N 3.33Å
30I96.4Very high94.5Very high5 Ų554.3 Ų54.33%0.02629%0.286CS..BIsolated β-bridgetrans-69.4142.1179.6-55.9-52.3000110.6I28 T32 M49 K316 L339 H340 E341I28-I30 HydrophobicContact CB-CD1 4.24Å; I28-I30 HydrophobicContact CG2-CD1 3.66Å; I28-I30 PolarHBondContact O-N 3.35Å; I30-T32 PolarHBondContact O-N 3.46Å; I30-M49 HydrophobicContact CD1-CB 4.2Å; I30-M49 HydrophobicContact CD1-CE 3.39Å; I30-M49 HydrophobicContact CD1-SD 4.36Å; I30-M49 HydrophobicContact CG1-CE 4.46Å; I30-K316 HydrophobicContact CG2-CB 4.3Å; I30-L339 HydrophobicContact CD1-CD1 4.36Å; I30-L339 HydrophobicContact CG1-CB 4.49Å; I30-L339 HydrophobicContact CG2-CB 4.3Å; I30-L339 HydrophobicContact CG2-CD1 3.74Å; I30-H340 WeakPolarHBondContact CG1-O 3.39Å; I30-E341 PolarHBondContact N-O 2.79Å
31S95.1Very high94.7Very high8 Ų847.9 Ų47.96%0.05626%0.26CS..  trans-54.8135.1-178.6-174.30000112.7M33 F39 I50 D52S31-M33 VanDerWaalsContact C-N 3.32Å; S31-M33 WeakPolarHBondContact OG-CB 3.31Å; S31-M33 WeakPolarHBondContact OG-CG 3.34Å; S31-M33 PolarHBondContact OG-N 2.96Å; S31-F39 WeakPolarHBondContact O-CE2 3.4Å; S31-I50 PolarHBondContact N-O 3.31Å; S31-D52 VanDerWaalsContact CA-OD1 3.26Å; S31-D52 WeakPolarHBondContact CA-OD1 3.42Å
32T91Very high94.9Very high84 Ų8444.7 Ų44.752%0.51523%0.232SC..  trans-89.92.7175.555.30000113.5I30 D52I30-T32 PolarHBondContact O-N 3.46Å; T32-D52 PolarHBondContact N-OD1 3.1Å; T32-D52 PolarHBondContact OG1-OD1 3.32Å
33M90.4Very high95.1Very high72 Ų7239.7 Ų39.736%0.35521%0.205SC..  trans-57.8139.3179.9-74-65.5100.400112.5S31 W35 F39 P83S31-M33 VanDerWaalsContact C-N 3.32Å; S31-M33 WeakPolarHBondContact OG-CB 3.31Å; S31-M33 WeakPolarHBondContact OG-CG 3.34Å; S31-M33 PolarHBondContact OG-N 2.96Å; M33-W35 PolarHBondContact O-N 2.97Å; M33-F39 HydrophobicContact CB-CZ 3.98Å; M33-F39 WeakPolarHBondContact O-CE2 3.48Å; M33-F39 VanDerWaalsContact O-CZ 3.24Å; M33-F39 WeakPolarHBondContact O-CZ 3.46Å; M33-P83 HydrophobicContact CG-CB 4.09Å; M33-P83 HydrophobicContact SD-CB 4.17Å; M33-P83 HydrophobicContact SD-CG 4.19Å
34T90.2Very high95.1Very high138 Ų13836 Ų3685%0.84719%0.189SC*.  trans-8987176.5-53.30000109
35W93.4Very high95.1Very high47 Ų4738.1 Ų38.118%0.17820%0.198CC..  trans-142.6143.7176.5-163.4-106.6000109.9M33 S37 F39 L85 R133 G135 K286M33-W35 PolarHBondContact O-N 2.97Å; W35-S37 VanDerWaalsContact C-N 3.31Å; W35-S37 PolarHBondContact O-N 3.22Å; W35-F39 HydrophobicContact CB-CE1 4.01Å; W35-F39 HydrophobicContact CB-CZ 4.2Å; W35-L85 HydrophobicContact CB-CD2 4.23Å; W35-L85 HydrophobicContact CD2-CD1 4.24Å; W35-L85 HydrophobicContact CD2-CD2 4.2Å; W35-L85 HydrophobicContact CE3-CD1 4.43Å; W35-L85 HydrophobicContact CE3-CD2 4.5Å; W35-L85 HydrophobicContact CG-CB 4.31Å; W35-L85 HydrophobicContact CG-CD2 4.08Å; W35-L85 HydrophobicContact CZ2-CD1 4.32Å; W35-R133 HydrophobicContact CH2-CG 4.38Å; W35-G135 PolarHBondContact NE1-O 3.22Å; W35-K286 WeakPolarHBondContact O-CE 3.46Å; W35-K286 PolarHBondContact O-NZ 3.33Å
36D88.9Confident95.1Very high54 Ų5438.1 Ų38.129%0.28920%0.198SC..  trans-93.830.5-171.7-70.2-32.7000113.3R224D36-R224 PolarHBondContact O-NH2 3.31Å
37S92.2Very high95.1Very high10 Ų1035.7 Ų35.77%0.0719%0.186CC..SBendtrans-88.2174.616968.90000111.6W35 F39 L85 K286W35-S37 VanDerWaalsContact C-N 3.31Å; W35-S37 PolarHBondContact O-N 3.22Å; S37-F39 VanDerWaalsContact C-N 3.29Å; S37-F39 PolarHBondContact O-N 3.48Å; S37-F39 WeakPolarHBondContact OG-CD1 3.25Å; S37-F39 WeakPolarHBondContact OG-CE1 3.39Å; S37-L85 VanDerWaalsContact CB-O 3.32Å; S37-L85 WeakPolarHBondContact CB-O 3.49Å; S37-L85 PolarHBondContact OG-O 2.81Å; S37-K286 WeakPolarHBondContact O-CE 3.41Å; S37-K286 PolarHBondContact O-NZ 3.25Å
38N94.3Very high95.3Very high53 Ų5333.6 Ų33.628%0.28317%0.174SC..  trans-68.7-25.2-176.2-71.8-11000113.8C40 L271 G317 M318N38-C40 PolarHBondContact O-N 3.46Å; N38-L271 WeakPolarHBondContact OD1-CD1 3.32Å; N38-G317 CarbonylContact O-C 3.57Å; N38-G317 WeakPolarHBondContact O-CA 3.36Å; N38-M318 WeakPolarHBondContact CB-O 3.2Å; N38-M318 PolarHBondContact O-N 3.09Å
39F97.1Very high95.4Very high3 Ų333.5 Ų33.51%0.01317%0.174CC..SBendtrans57.2-2.2-170.1-75.37.4000115.5S31 M33 W35 S37 M49 I50 K286 L339S31-F39 WeakPolarHBondContact O-CE2 3.4Å; M33-F39 HydrophobicContact CB-CZ 3.98Å; M33-F39 WeakPolarHBondContact O-CE2 3.48Å; M33-F39 VanDerWaalsContact O-CZ 3.24Å; M33-F39 WeakPolarHBondContact O-CZ 3.46Å; W35-F39 HydrophobicContact CB-CE1 4.01Å; W35-F39 HydrophobicContact CB-CZ 4.2Å; S37-F39 VanDerWaalsContact C-N 3.29Å; S37-F39 PolarHBondContact O-N 3.48Å; S37-F39 WeakPolarHBondContact OG-CD1 3.25Å; S37-F39 WeakPolarHBondContact OG-CE1 3.39Å; F39-M49 WeakPolarHBondContact O-CA 3.43Å; F39-I50 HydrophobicContact CD1-CD1 3.83Å; F39-I50 HydrophobicContact CE1-CD1 4.37Å; F39-I50 HydrophobicContact CG-CD1 4.42Å; F39-I50 PolarHBondContact O-N 3.41Å; F39-K286 VanDerWaalsContact CD1-NZ 3.27Å; F39-K286 VanDerWaalsContact CD2-NZ 3.34Å; F39-K286 VanDerWaalsContact CE1-NZ 3.29Å; F39-K286 VanDerWaalsContact CE2-NZ 3.35Å; F39-K286 VanDerWaalsContact CG-NZ 3.31Å; F39-K286 VanDerWaalsContact CZ-NZ 3.33Å; F39-L339 HydrophobicContact CB-CD1 3.73Å
40C98.3Very high95.5Very high4 Ų427.2 Ų27.23%0.02715%0.15CC..EExtended strand (participates in β ladder)trans-141.3130.4-176.6-172.30000108.4N38 S48 L339N38-C40 PolarHBondContact O-N 3.46Å; C40-S48 CarbonylContact C-O 3.43Å; C40-S48 VanDerWaalsContact CA-O 3.24Å; C40-S48 WeakPolarHBondContact CA-O 3.16Å; C40-L339 HydrophobicContact CB-CD1 3.9Å; C40-L339 HydrophobicContact CB-CD2 3.82Å; C40-L339 HydrophobicContact CB-CG 3.9Å
41S98.6Very high95.5Very high16 Ų1627.7 Ų27.711%0.11215%0.153CC..EExtended strand (participates in β ladder)trans-126.1143169.2-165.50000108.1S48 I87 E88 F89S41-S48 PolarHBondContact N-O 3.02Å; S41-S48 WeakPolarHBondContact O-CA 3.12Å; S41-S48 PolarHBondContact O-N 2.9Å; S41-S48 VanDerWaalsContact O-O 3.1Å; S41-I87 WeakPolarHBondContact CB-O 3.38Å; S41-E88 WeakPolarHBondContact OG-CA 3.2Å; S41-F89 WeakPolarHBondContact O-CE2 3.1Å; S41-F89 WeakPolarHBondContact OG-CD2 3.47Å; S41-F89 PolarHBondContact OG-N 2.9Å; S41-F89 VanDerWaalsContact OG-N 3.12Å
42V98.6Very high95.4Very high6 Ų630.3 Ų30.34%0.03617%0.166CC..EExtended strand (participates in β ladder)trans-143.4145.1-17658.10000109.3F46 V47 L64 Y320 M321 P322 Y337V42-F46 WeakPolarHBondContact CA-O 3.15Å; V42-F46 WeakPolarHBondContact CG2-O 3.42Å; V42-V47 HydrophobicContact CB-CG2 4.46Å; V42-V47 HydrophobicContact CG2-CB 4.23Å; V42-L64 HydrophobicContact CG2-CD2 4.03Å; V42-Y320 VanDerWaalsContact CG1-O 3.28Å; V42-Y320 WeakPolarHBondContact CG1-O 3.19Å; V42-M321 HydrophobicContact CG1-CB 4.45Å; V42-M321 HydrophobicContact CG2-CE 3.4Å; V42-M321 VanDerWaalsContact CG2-CE 3.4Å; V42-M321 HydrophobicContact CG2-SD 4.14Å; V42-P322 WeakPolarHBondContact O-CD 3.37Å; V42-Y337 HydrophobicContact CB-CD2 4.23Å; V42-Y337 HydrophobicContact CB-CE2 4.44Å; V42-Y337 HydrophobicContact CG1-CD2 3.86Å; V42-Y337 HydrophobicContact CG1-CE2 4.24Å; V42-Y337 HydrophobicContact CG1-CG 4.46Å; V42-Y337 HydrophobicContact CG2-CD2 3.98Å; V42-Y337 HydrophobicContact CG2-CE1 4.25Å; V42-Y337 HydrophobicContact CG2-CE2 3.7Å; V42-Y337 HydrophobicContact CG2-CG 4.41Å
43N97.7Very high95.3Very high3 Ų328.3 Ų28.32%0.01616%0.159CC..  trans-137.5-178.817276.213000109.2K45 F46 F89 D94 M321N43-K45 PolarHBondContact O-N 2.87Å; N43-K45 WeakPolarHBondContact OD1-CA 3.34Å; N43-K45 PolarHBondContact OD1-N 2.9Å; N43-F46 PolarHBondContact N-O 3.33Å; N43-F46 PolarHBondContact OD1-N 3.35Å; N43-F89 HydrophobicContact CB-CB 4.17Å; N43-F89 HydrophobicContact CB-CD2 4.15Å; N43-F89 HydrophobicContact CB-CG 4.09Å; N43-F89 WeakPolarHBondContact ND2-CD1 3.36Å; N43-F89 WeakPolarHBondContact ND2-CG 3.47Å; N43-D94 VanDerWaalsContact ND2-C 3.34Å; N43-D94 VanDerWaalsContact ND2-CA 3.28Å; N43-D94 WeakPolarHBondContact ND2-CA 3.34Å; N43-D94 PolarHBondContact ND2-O 2.84Å; N43-M321 WeakPolarHBondContact O-CE 3.14Å
44P96.5Very high94.6Very high14 Ų1431.9 Ų31.99%0.09119%0.191CC..SBendtrans-63.3-9-177.8-27.538.5000116.3L64 R324 F395P44-L64 VanDerWaalsContact O-CD1 3.29Å; P44-L64 WeakPolarHBondContact O-CD1 3.46Å; P44-R324 HydrophobicContact CG-CB 3.7Å; P44-F395 HydrophobicContact CB-CD2 3.61Å; P44-F395 HydrophobicContact CB-CE1 4.27Å; P44-F395 HydrophobicContact CB-CE2 3.2Å; P44-F395 HydrophobicContact CB-CG 4.3Å; P44-F395 HydrophobicContact CB-CZ 3.56Å; P44-F395 HydrophobicContact CG-CD2 4.1Å; P44-F395 HydrophobicContact CG-CE2 3.71Å; P44-F395 HydrophobicContact CG-CZ 4.44Å
45K96.4Very high94.1Very high50 Ų5028.2 Ų28.222%0.21718%0.18CC..SBendtrans-111.2-37.4-179.6-65.7-179.871169.40113N43 P63 L64 D94 N95 D113 F395N43-K45 PolarHBondContact O-N 2.87Å; N43-K45 WeakPolarHBondContact OD1-CA 3.34Å; N43-K45 PolarHBondContact OD1-N 2.9Å; K45-P63 WeakPolarHBondContact O-CA 3.44Å; K45-L64 PolarHBondContact O-N 3.46Å; K45-D94 HydrophobicContact CD-CB 3.56Å; K45-D94 HydrophobicContact CG-CB 4.06Å; K45-N95 PolarHBondContact NZ-ND2 3.3Å; K45-N95 PolarHBondContact NZ-OD1 3.16Å; K45-D113 WeakPolarHBondContact CE-OD1 3.25Å; K45-D113 IonicContact NZ-OD1 3.46Å; K45-D113 PolarHBondContact NZ-OD1 3.37Å; K45-F395 HydrophobicContact CG-CZ 4.42Å
46F98.3Very high94Very high3 Ų327.3 Ų27.31%0.01319%0.186CC..EExtended strand (participates in β ladder)trans-136.9148.7-168.1-51.8-71.9000112.5V42 N43 V61 L62 P63 F89 D94 I111V42-F46 WeakPolarHBondContact CA-O 3.15Å; V42-F46 WeakPolarHBondContact CG2-O 3.42Å; N43-F46 PolarHBondContact N-O 3.33Å; N43-F46 PolarHBondContact OD1-N 3.35Å; F46-V61 HydrophobicContact CB-CG1 3.76Å; F46-V61 HydrophobicContact CD1-CG1 4.09Å; F46-V61 HydrophobicContact CG-CG1 3.97Å; F46-L62 CarbonylContact C-O 3.51Å; F46-L62 VanDerWaalsContact CA-O 3.23Å; F46-L62 WeakPolarHBondContact CA-O 3.38Å; F46-P63 HydrophobicContact CD1-CG 4.42Å; F46-P63 HydrophobicContact CE1-CG 4.38Å; F46-F89 HydrophobicContact CB-CE1 4.2Å; F46-F89 HydrophobicContact CB-CE2 4.3Å; F46-F89 HydrophobicContact CB-CZ 3.6Å; F46-F89 HydrophobicContact CD2-CE1 4.21Å; F46-F89 HydrophobicContact CD2-CZ 4.45Å; F46-F89 HydrophobicContact CG-CZ 4.43Å; F46-D94 WeakPolarHBondContact CD2-O 3.46Å; F46-D94 WeakPolarHBondContact CE2-O 3.39Å; F46-I111 HydrophobicContact CD1-CG2 4.31Å; F46-I111 HydrophobicContact CD2-CG2 4.43Å; F46-I111 HydrophobicContact CE1-CG2 3.97Å; F46-I111 HydrophobicContact CE2-CB 4.34Å; F46-I111 HydrophobicContact CE2-CG2 4.09Å; F46-I111 HydrophobicContact CZ-CB 4.49Å; F46-I111 HydrophobicContact CZ-CG2 3.85Å
47V98.6Very high94.3Very high0 Ų025 Ų250%018%0.175CC..EExtended strand (participates in β ladder)trans-107.2133.6159.360.20000108.4Y25 V42 M49 L62 L64 Y337Y25-V47 HydrophobicContact CD1-CG1 4.15Å; Y25-V47 HydrophobicContact CE1-CG1 3.6Å; Y25-V47 HydrophobicContact CE2-CG1 4.15Å; V42-V47 HydrophobicContact CB-CG2 4.46Å; V42-V47 HydrophobicContact CG2-CB 4.23Å; V47-M49 HydrophobicContact CG2-CG 4.13Å; V47-L62 HydrophobicContact CG1-CB 3.92Å; V47-L62 PolarHBondContact N-O 3.33Å; V47-L62 PolarHBondContact O-N 3.19Å; V47-L64 HydrophobicContact CB-CD2 4.12Å; V47-L64 HydrophobicContact CG1-CD2 4.48Å; V47-Y337 HydrophobicContact CB-CD1 4.15Å; V47-Y337 HydrophobicContact CB-CE1 4.15Å; V47-Y337 HydrophobicContact CG2-CD1 3.67Å; V47-Y337 HydrophobicContact CG2-CE1 4.19Å; V47-Y337 HydrophobicContact CG2-CG 4.29Å
48S98.6Very high94.5Very high0 Ų024.8 Ų24.80%017%0.174CC..EExtended strand (participates in β ladder)trans-124.4140.5177.7-174.30000111.3C40 S41 F59 M60 I87 I97C40-S48 CarbonylContact C-O 3.43Å; C40-S48 VanDerWaalsContact CA-O 3.24Å; C40-S48 WeakPolarHBondContact CA-O 3.16Å; S41-S48 PolarHBondContact N-O 3.02Å; S41-S48 WeakPolarHBondContact O-CA 3.12Å; S41-S48 PolarHBondContact O-N 2.9Å; S41-S48 VanDerWaalsContact O-O 3.1Å; S48-F59 VanDerWaalsContact OG-CD2 3.26Å; S48-F59 WeakPolarHBondContact OG-CD2 3.42Å; S48-M60 CarbonylContact C-O 3.51Å; S48-M60 WeakPolarHBondContact CA-O 3.35Å; S48-M60 WeakPolarHBondContact CB-O 3.35Å; S48-M60 PolarHBondContact OG-O 3.44Å; S48-I87 WeakPolarHBondContact OG-CD1 3.25Å; S48-I97 WeakPolarHBondContact OG-CD1 3.16Å
49M98Very high94.7Very high1 Ų122.3 Ų22.31%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-144.2132.5-168.9-47.3166.382.100109.6I28 I30 F39 V47 V51 F59 M60 L339 C344I28-M49 HydrophobicContact CD1-CE 4.3Å; I28-M49 HydrophobicContact CD1-SD 3.6Å; I28-M49 HydrophobicContact CG2-SD 4.41Å; I30-M49 HydrophobicContact CD1-CB 4.2Å; I30-M49 HydrophobicContact CD1-CE 3.39Å; I30-M49 HydrophobicContact CD1-SD 4.36Å; I30-M49 HydrophobicContact CG1-CE 4.46Å; F39-M49 WeakPolarHBondContact O-CA 3.43Å; V47-M49 HydrophobicContact CG2-CG 4.13Å; M49-V51 PolarHBondContact O-N 3.01Å; M49-F59 CarbonylContact O-C 3.45Å; M49-F59 WeakPolarHBondContact O-CA 3.49Å; M49-F59 WeakPolarHBondContact O-CB 3.32Å; M49-M60 PolarHBondContact N-O 2.67Å; M49-M60 PolarHBondContact O-N 3.26Å; M49-L339 HydrophobicContact CE-CD1 4.48Å; M49-L339 HydrophobicContact CE-CD2 3.1Å; M49-L339 HydrophobicContact CE-CG 4.32Å; M49-L339 HydrophobicContact CG-CD2 4.35Å; M49-C344 HydrophobicContact CE-CB 3.23Å; M49-C344 HydrophobicContact SD-CB 3.91Å
50I98.1Very high94.7Very high1 Ų123 Ų231%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-73125.2174.6-53.4-179.7000108.5S31 F39 V84 I87S31-I50 PolarHBondContact N-O 3.31Å; F39-I50 HydrophobicContact CD1-CD1 3.83Å; F39-I50 HydrophobicContact CE1-CD1 4.37Å; F39-I50 HydrophobicContact CG-CD1 4.42Å; F39-I50 PolarHBondContact O-N 3.41Å; I50-V84 HydrophobicContact CD1-CG1 3.97Å; I50-V84 HydrophobicContact CG1-CG1 4.23Å; I50-V84 HydrophobicContact CG2-CB 4.07Å; I50-V84 WeakPolarHBondContact CG2-O 3.41Å; I50-I87 HydrophobicContact CD1-CG1 4.23Å; I50-I87 HydrophobicContact CD1-CG2 4.41Å; I50-I87 HydrophobicContact CG1-CD1 3.83Å; I50-I87 HydrophobicContact CG1-CG1 3.89Å; I50-I87 HydrophobicContact CG1-CG2 4.14Å
51V96.6Very high94.7Very high14 Ų1422.9 Ų22.99%0.08516%0.163CC..EExtended strand (participates in β ladder)trans-115.6158-176.1-64.10000110.9I28 R29 M49 A53 A58 M60 T76I28-V51 HydrophobicContact CG2-CG1 3.69Å; R29-V51 CarbonylContact O-C 3.54Å; R29-V51 WeakPolarHBondContact O-CA 3.1Å; R29-V51 WeakPolarHBondContact O-CB 3.24Å; M49-V51 PolarHBondContact O-N 3.01Å; V51-A53 PolarHBondContact O-N 3.36Å; V51-A58 HydrophobicContact CG2-CB 4.18Å; V51-A58 PolarHBondContact N-O 2.77Å; V51-M60 HydrophobicContact CG1-CB 3.92Å; V51-T76 HydrophobicContact CG2-CG2 4.21Å
52D91.7Very high94.7Very high63 Ų6322.1 Ų22.134%0.33716%0.157SC..  trans-66.1133.7171.4-80.7-23.2000110.4R29 S31 T32R29-D52 PolarHBondContact O-N 3.33Å; S31-D52 VanDerWaalsContact CA-OD1 3.26Å; S31-D52 WeakPolarHBondContact CA-OD1 3.42Å; T32-D52 PolarHBondContact N-OD1 3.1Å; T32-D52 PolarHBondContact OG1-OD1 3.32Å
53A88.3Confident94.7Very high43 Ų4322.3 Ų22.336%0.35516%0.159SC..  trans-120138.817400000109.8V51 G55 A58V51-A53 PolarHBondContact O-N 3.36Å; A53-G55 PolarHBondContact O-N 3.13Å; A53-A58 HydrophobicContact CB-CB 3.87Å
54S76.5Confident94.7Very high146 Ų14623.9 Ų23.9100%1.02117%0.167SC*.SBendtrans-73.3-12.9178.652.80000113.7
55G80.9Confident94.6Very high61 Ų6129.9 Ų29.963%0.62920%0.199SC*.SBendtrans-163.9136.117500000109.9A53A53-G55 PolarHBondContact O-N 3.13Å
56G91Very high94.6Very high29 Ų2931.7 Ų31.730%0.29921%0.206SC..SBendtrans74-147.9-173.700000113.6H80G56-H80 WeakPolarHBondContact CA-O 3.19Å
57G94.5Very high94.5Very high6 Ų634.2 Ų34.26%0.06222%0.222CC..EExtended strand (participates in β ladder)trans-131141.9175.100000111.9H80 G82G57-H80 PolarHBondContact N-O 2.88Å; G57-G82 WeakPolarHBondContact CA-O 3.36Å; G57-G82 PolarHBondContact N-O 2.84Å
58A97.2Very high94.5Very high5 Ų535 Ų354%0.04123%0.23CC..EExtended strand (participates in β ladder)trans-140.2154.8178.600000112.4V51 A53 V77V51-A58 HydrophobicContact CG2-CB 4.18Å; V51-A58 PolarHBondContact N-O 2.77Å; A53-A58 HydrophobicContact CB-CB 3.87Å; A58-V77 VanDerWaalsContact CA-O 3.24Å; A58-V77 WeakPolarHBondContact CA-O 3.46Å; A58-V77 WeakPolarHBondContact CB-O 3.38Å
59F98.1Very high94.4Very high1 Ų144.4 Ų44.40%0.00427%0.266CS..EExtended strand (participates in β ladder)trans-138.4151.8167.263.6-89.1000109.8S48 M49 V61 T76 V77 V84 I87 I97 W109S48-F59 VanDerWaalsContact OG-CD2 3.26Å; S48-F59 WeakPolarHBondContact OG-CD2 3.42Å; M49-F59 CarbonylContact O-C 3.45Å; M49-F59 WeakPolarHBondContact O-CA 3.49Å; M49-F59 WeakPolarHBondContact O-CB 3.32Å; F59-V61 HydrophobicContact CD2-CG2 3.78Å; F59-V61 HydrophobicContact CE2-CG2 3.58Å; F59-T76 WeakPolarHBondContact O-CB 3.35Å; F59-V77 HydrophobicContact CD1-CB 4.02Å; F59-V77 HydrophobicContact CD1-CG1 4.34Å; F59-V77 HydrophobicContact CD2-CB 4.04Å; F59-V77 HydrophobicContact CD2-CG2 4.04Å; F59-V77 HydrophobicContact CE1-CB 3.62Å; F59-V77 HydrophobicContact CE1-CG1 3.52Å; F59-V77 HydrophobicContact CE1-CG2 4.35Å; F59-V77 HydrophobicContact CE2-CB 3.66Å; F59-V77 HydrophobicContact CE2-CG1 4.12Å; F59-V77 HydrophobicContact CE2-CG2 3.48Å; F59-V77 VanDerWaalsContact CE2-CG2 3.48Å; F59-V77 HydrophobicContact CG-CB 4.23Å; F59-V77 HydrophobicContact CZ-CB 3.45Å; F59-V77 VanDerWaalsContact CZ-CB 3.45Å; F59-V77 HydrophobicContact CZ-CG1 3.41Å; F59-V77 VanDerWaalsContact CZ-CG1 3.41Å; F59-V77 HydrophobicContact CZ-CG2 3.67Å; F59-V77 PolarHBondContact N-O 3.24Å; F59-V77 PolarHBondContact O-N 2.89Å; F59-V84 HydrophobicContact CD1-CG1 4.44Å; F59-V84 HydrophobicContact CD1-CG2 4.31Å; F59-I87 HydrophobicContact CB-CG2 4.36Å; F59-I87 HydrophobicContact CD1-CG2 4.07Å; F59-I87 HydrophobicContact CD2-CG2 4.45Å; F59-I87 HydrophobicContact CE1-CG2 4.44Å; F59-I87 HydrophobicContact CG-CG2 4.05Å; F59-I97 HydrophobicContact CE2-CD1 3.97Å; F59-I97 HydrophobicContact CE2-CG2 4.04Å; F59-I97 HydrophobicContact CZ-CG2 4.11Å; F59-W109 AromaticContact CE1-NE1 3.7Å; F59-W109 AromaticContact CZ-CD1 3.61Å; F59-W109 HydrophobicContact CZ-CD2 4.48Å; F59-W109 HydrophobicContact CZ-CG 4.05Å; F59-W109 AromaticContact CZ-NE1 3.76Å
60M97.6Very high94.3Very high18 Ų1844.7 Ų44.79%0.08927%0.267CS..EExtended strand (participates in β ladder)trans-95.7147177.5-169.5171.2-76.400109.6I28 S48 M49 V51 L62 I70 Y74 T76I28-M60 HydrophobicContact CD1-SD 4.32Å; I28-M60 HydrophobicContact CG1-SD 4.34Å; I28-M60 HydrophobicContact CG2-SD 4.22Å; S48-M60 CarbonylContact C-O 3.51Å; S48-M60 WeakPolarHBondContact CA-O 3.35Å; S48-M60 WeakPolarHBondContact CB-O 3.35Å; S48-M60 PolarHBondContact OG-O 3.44Å; M49-M60 PolarHBondContact N-O 2.67Å; M49-M60 PolarHBondContact O-N 3.26Å; V51-M60 HydrophobicContact CG1-CB 3.92Å; M60-L62 HydrophobicContact CG-CD1 4.34Å; M60-L62 HydrophobicContact CG-CD2 4.28Å; M60-L62 HydrophobicContact CG-CG 3.98Å; M60-L62 HydrophobicContact SD-CD1 3.87Å; M60-L62 HydrophobicContact SD-CD2 4.08Å; M60-L62 HydrophobicContact SD-CG 4.03Å; M60-I70 HydrophobicContact CE-CG2 4.37Å; M60-I70 HydrophobicContact SD-CG2 4Å; M60-Y74 HydrophobicContact CE-CD1 4.22Å; M60-Y74 HydrophobicContact CG-CD1 4.09Å; M60-Y74 HydrophobicContact CG-CE1 4.37Å; M60-Y74 HydrophobicContact SD-CD1 4.09Å; M60-T76 HydrophobicContact CB-CG2 4.22Å; M60-T76 HydrophobicContact CE-CG2 3.9Å; M60-T76 HydrophobicContact CG-CG2 4.43Å
61V98.3Very high94.2Very high0 Ų049.4 Ų49.40%029%0.292CS..EExtended strand (participates in β ladder)trans-130.4120.5171.2-1730000108.1F46 F59 V77 F89 I111F46-V61 HydrophobicContact CB-CG1 3.76Å; F46-V61 HydrophobicContact CD1-CG1 4.09Å; F46-V61 HydrophobicContact CG-CG1 3.97Å; F59-V61 HydrophobicContact CD2-CG2 3.78Å; F59-V61 HydrophobicContact CE2-CG2 3.58Å; V61-V77 HydrophobicContact CG2-CG2 3.98Å; V61-F89 HydrophobicContact CG1-CZ 4.18Å; V61-I111 HydrophobicContact CB-CD1 4.49Å; V61-I111 HydrophobicContact CG1-CG1 4.25Å; V61-I111 HydrophobicContact CG1-CG2 3.84Å; V61-I111 HydrophobicContact CG2-CD1 3.96Å; V61-I111 HydrophobicContact CG2-CG1 4.43Å
62L98.3Very high93.8Very high0 Ų054.7 Ų54.70%032%0.317CS..EExtended strand (participates in β ladder)trans-120133.2-177.6-65.2166.2000109.4Y25 I28 F46 V47 M60 K66 I70 Y74Y25-L62 HydrophobicContact CD1-CB 4.4Å; Y25-L62 HydrophobicContact CD1-CD1 3.76Å; Y25-L62 HydrophobicContact CE1-CB 4.33Å; Y25-L62 HydrophobicContact CE1-CD1 4.49Å; Y25-L62 HydrophobicContact CG-CD1 4.44Å; I28-L62 HydrophobicContact CD1-CD1 3.68Å; F46-L62 CarbonylContact C-O 3.51Å; F46-L62 VanDerWaalsContact CA-O 3.23Å; F46-L62 WeakPolarHBondContact CA-O 3.38Å; V47-L62 HydrophobicContact CG1-CB 3.92Å; V47-L62 PolarHBondContact N-O 3.33Å; V47-L62 PolarHBondContact O-N 3.19Å; M60-L62 HydrophobicContact CG-CD1 4.34Å; M60-L62 HydrophobicContact CG-CD2 4.28Å; M60-L62 HydrophobicContact CG-CG 3.98Å; M60-L62 HydrophobicContact SD-CD1 3.87Å; M60-L62 HydrophobicContact SD-CD2 4.08Å; M60-L62 HydrophobicContact SD-CG 4.03Å; L62-K66 HydrophobicContact CD2-CD 4.07Å; L62-I70 HydrophobicContact CD1-CD1 4.1Å; L62-I70 HydrophobicContact CD1-CG1 3.97Å; L62-I70 HydrophobicContact CD2-CD1 4.11Å; L62-I70 HydrophobicContact CD2-CG1 4.48Å; L62-I70 HydrophobicContact CD2-CG2 4.22Å; L62-Y74 HydrophobicContact CD2-CD1 3.73Å; L62-Y74 HydrophobicContact CD2-CE1 3.36Å; L62-Y74 HydrophobicContact CD2-CE2 4.35Å; L62-Y74 HydrophobicContact CD2-CG 4.34Å; L62-Y74 HydrophobicContact CG-CE1 4.39Å
63P97.8Very high93.9Very high10 Ų1056.4 Ų56.47%0.06534%0.335CS..EExtended strand (participates in β ladder)trans-54.3141.8163.3-24.634.9000110.9K45 F46 N65 K66 G114K45-P63 WeakPolarHBondContact O-CA 3.44Å; F46-P63 HydrophobicContact CD1-CG 4.42Å; F46-P63 HydrophobicContact CE1-CG 4.38Å; P63-N65 VanDerWaalsContact CB-OD1 3.25Å; P63-N65 WeakPolarHBondContact CB-OD1 3.33Å; P63-N65 PolarHBondContact O-N 3.31Å; P63-N65 VanDerWaalsContact O-N 3.07Å; P63-K66 HydrophobicContact CB-CB 4.4Å; P63-K66 WeakPolarHBondContact O-CB 3.37Å; P63-K66 PolarHBondContact O-N 3Å; P63-G114 WeakPolarHBondContact CG-O 3.31Å
64L96.9Very high94.2Very high37 Ų3755.8 Ų55.819%0.19432%0.323CS..THydrogen-bonded Turntrans-59.5-25-176.9-68.4-175.5000114.2Y25 V42 P44 K45 V47 K66 M321 Y337Y25-L64 WeakPolarHBondContact OH-CA 3.33Å; Y25-L64 PolarHBondContact OH-O 3.4Å; V42-L64 HydrophobicContact CG2-CD2 4.03Å; P44-L64 VanDerWaalsContact O-CD1 3.29Å; P44-L64 WeakPolarHBondContact O-CD1 3.46Å; K45-L64 PolarHBondContact O-N 3.46Å; V47-L64 HydrophobicContact CB-CD2 4.12Å; V47-L64 HydrophobicContact CG1-CD2 4.48Å; L64-K66 VanDerWaalsContact C-N 3.33Å; L64-M321 HydrophobicContact CD1-CE 3.68Å; L64-M321 HydrophobicContact CD2-CE 4.17Å; L64-Y337 HydrophobicContact CD2-CE1 4.18Å; L64-Y337 WeakPolarHBondContact CD2-OH 3.48Å
65N95.3Very high95.2Very high140 Ų14049.6 Ų49.675%0.74928%0.28SS*.THydrogen-bonded Turntrans-84.5-5.6178.265.3-9.4000113.3P63 T67P63-N65 VanDerWaalsContact CB-OD1 3.25Å; P63-N65 WeakPolarHBondContact CB-OD1 3.33Å; P63-N65 PolarHBondContact O-N 3.31Å; P63-N65 VanDerWaalsContact O-N 3.07Å; N65-T67 VanDerWaalsContact C-N 3.26Å; N65-T67 PolarHBondContact O-N 2.95Å; N65-T67 VanDerWaalsContact O-N 3.14Å
66K96.1Very high95.9Very high87 Ų8748 Ų4838%0.37826%0.258SS..  trans-89.161.7178.8-164.3174.2177.3740110.7Y25 L62 P63 L64 I70 Y74Y25-K66 VanDerWaalsContact CD1-O 3.26Å; Y25-K66 WeakPolarHBondContact CD1-O 3.46Å; Y25-K66 WeakPolarHBondContact CE1-O 3.13Å; L62-K66 HydrophobicContact CD2-CD 4.07Å; P63-K66 HydrophobicContact CB-CB 4.4Å; P63-K66 WeakPolarHBondContact O-CB 3.37Å; P63-K66 PolarHBondContact O-N 3Å; L64-K66 VanDerWaalsContact C-N 3.33Å; K66-I70 HydrophobicContact CG-CD1 4.33Å; K66-I70 WeakPolarHBondContact O-CD1 3.42Å; K66-Y74 HydrophobicContact CD-CE2 3.82Å
67T97.3Very high96.3Very high57 Ų5746.7 Ų46.735%0.3524%0.244SC..  trans-86.4172.9176.664.50000111.8D22 Q23 C24 Y25 N65D22-T67 WeakPolarHBondContact O-CB 3.39Å; D22-T67 PolarHBondContact O-OG1 3.35Å; Q23-T67 WeakPolarHBondContact O-CG2 3.37Å; C24-T67 CarbonylContact O-C 3.58Å; C24-T67 WeakPolarHBondContact O-CB 3.43Å; Y25-T67 HydrophobicContact CE1-CG2 4.15Å; Y25-T67 HydrophobicContact CE2-CG2 4.35Å; N65-T67 VanDerWaalsContact C-N 3.26Å; N65-T67 PolarHBondContact O-N 2.95Å; N65-T67 VanDerWaalsContact O-N 3.14Å
68G96.9Very high96.2Very high16 Ų1648.5 Ų48.517%0.16526%0.255CS..EExtended strand (participates in β ladder)trans87.7-157-175.100000112.7C24 D26 I70C24-G68 PolarHBondContact O-N 3.31Å; D26-G68 PolarHBondContact N-O 3.24Å; G68-I70 PolarHBondContact O-N 3.31Å
69R97.1Very high95.9Very high198 Ų19849.3 Ų49.375%0.74726%0.264SS*.EExtended strand (participates in β ladder)trans-69.8120.9-178.4-168.6-177.5-171-158.7-1.9111.1D27D27-R69 HydrophobicContact CB-CG 4.11Å; D27-R69 IonicContact OD2-CZ 3.37Å; D27-R69 IonicContact OD2-NE 2.73Å; D27-R69 PolarHBondContact OD2-NE 2.91Å; D27-R69 IonicContact OD2-NH2 3.1Å; D27-R69 PolarHBondContact OD2-NH2 3.09Å; D27-R69 VanDerWaalsContact OD2-NH2 3.1Å
70I96.7Very high95.9Very high6 Ų649.8 Ų49.83%0.03127%0.266CS..PPolyproline II helixtrans-89132.2175-52-53.4000109.4D26 I28 M60 L62 K66 G68 Y74D26-I70 PolarHBondContact O-N 2.65Å; I28-I70 HydrophobicContact CD1-CG1 4.04Å; I28-I70 HydrophobicContact CG1-CB 4.18Å; I28-I70 HydrophobicContact CG1-CG1 3.98Å; M60-I70 HydrophobicContact CE-CG2 4.37Å; M60-I70 HydrophobicContact SD-CG2 4Å; L62-I70 HydrophobicContact CD1-CD1 4.1Å; L62-I70 HydrophobicContact CD1-CG1 3.97Å; L62-I70 HydrophobicContact CD2-CD1 4.11Å; L62-I70 HydrophobicContact CD2-CG1 4.48Å; L62-I70 HydrophobicContact CD2-CG2 4.22Å; K66-I70 HydrophobicContact CG-CD1 4.33Å; K66-I70 WeakPolarHBondContact O-CD1 3.42Å; G68-I70 PolarHBondContact O-N 3.31Å; I70-Y74 HydrophobicContact CG2-CD1 4.42Å; I70-Y74 HydrophobicContact CG2-CG 3.99Å
71D94.4Very high95.8Very high101 Ų10154.4 Ų54.454%0.5430%0.296SS..PPolyproline II helixtrans-66.5140.6178.2-166.9-82000110.6S73 Y74D71-S73 PolarHBondContact O-N 3.12Å; D71-S73 WeakPolarHBondContact OD1-CA 3.44Å; D71-S73 VanDerWaalsContact OD1-CB 3.26Å; D71-S73 WeakPolarHBondContact OD1-CB 3.5Å; D71-S73 PolarHBondContact OD1-N 3.37Å; D71-S73 PolarHBondContact OD1-OG 3.44Å; D71-Y74 WeakPolarHBondContact O-CB 3.28Å; D71-Y74 PolarHBondContact O-N 2.9Å
72M89.9Confident95.7Very high124 Ų12454.9 Ų54.961%0.61130%0.3SS*.THydrogen-bonded Turntrans-63.8-21.8179.4-72.3-157.3178.800113.5Y74M72-Y74 VanDerWaalsContact C-N 3.32Å
73S92.6Very high95.7Very high100 Ų10056.6 Ų56.670%0.69931%0.312SS*.THydrogen-bonded Turntrans-87.21.4174.870.40000113.5D71D71-S73 PolarHBondContact O-N 3.12Å; D71-S73 WeakPolarHBondContact OD1-CA 3.44Å; D71-S73 VanDerWaalsContact OD1-CB 3.26Å; D71-S73 WeakPolarHBondContact OD1-CB 3.5Å; D71-S73 PolarHBondContact OD1-N 3.37Å; D71-S73 PolarHBondContact OD1-OG 3.44Å
74Y95.6Very high95.7Very high29 Ų2956.2 Ų56.211%0.11431%0.309CS..  trans-57.1129.3178.4-169.4-94.8000110.1M60 L62 K66 I70 D71 M72 L116M60-Y74 HydrophobicContact CE-CD1 4.22Å; M60-Y74 HydrophobicContact CG-CD1 4.09Å; M60-Y74 HydrophobicContact CG-CE1 4.37Å; M60-Y74 HydrophobicContact SD-CD1 4.09Å; L62-Y74 HydrophobicContact CD2-CD1 3.73Å; L62-Y74 HydrophobicContact CD2-CE1 3.36Å; L62-Y74 HydrophobicContact CD2-CE2 4.35Å; L62-Y74 HydrophobicContact CD2-CG 4.34Å; L62-Y74 HydrophobicContact CG-CE1 4.39Å; K66-Y74 HydrophobicContact CD-CE2 3.82Å; I70-Y74 HydrophobicContact CG2-CD1 4.42Å; I70-Y74 HydrophobicContact CG2-CG 3.99Å; D71-Y74 WeakPolarHBondContact O-CB 3.28Å; D71-Y74 PolarHBondContact O-N 2.9Å; M72-Y74 VanDerWaalsContact C-N 3.32Å; Y74-L116 PolarHBondContact OH-O 2.7Å
75P96.2Very high95.7Very high16 Ų1654.6 Ų54.610%0.10430%0.301CS..  trans-62.8146.1-174.823.9-34.6000112.3L116 S118 P119P75-L116 HydrophobicContact CB-CB 4Å; P75-L116 HydrophobicContact CG-CB 3.62Å; P75-L116 VanDerWaalsContact CG-O 3.29Å; P75-L116 WeakPolarHBondContact CG-O 3.5Å; P75-S118 WeakPolarHBondContact CB-O 3.49Å; P75-P119 HydrophobicContact CB-CG 4.36Å
76T96.8Very high95.9Very high28 Ų2848.8 Ų48.817%0.17227%0.27CS..  trans-121.9165.1178.448.60000110.2V51 F59 M60 C78 P119 L120V51-T76 HydrophobicContact CG2-CG2 4.21Å; F59-T76 WeakPolarHBondContact O-CB 3.35Å; M60-T76 HydrophobicContact CB-CG2 4.22Å; M60-T76 HydrophobicContact CE-CG2 3.9Å; M60-T76 HydrophobicContact CG-CG2 4.43Å; T76-C78 PolarHBondContact OG1-SG 3.05Å; T76-P119 WeakPolarHBondContact O-CA 3.3Å; T76-L120 PolarHBondContact O-N 3.22Å
77V97.9Very high96Very high1 Ų144.9 Ų44.91%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-84.5120.1168.8-173.50000108.1A58 F59 V61 W109 I111 L116 L120A58-V77 VanDerWaalsContact CA-O 3.24Å; A58-V77 WeakPolarHBondContact CA-O 3.46Å; A58-V77 WeakPolarHBondContact CB-O 3.38Å; F59-V77 HydrophobicContact CD1-CB 4.02Å; F59-V77 HydrophobicContact CD1-CG1 4.34Å; F59-V77 HydrophobicContact CD2-CB 4.04Å; F59-V77 HydrophobicContact CD2-CG2 4.04Å; F59-V77 HydrophobicContact CE1-CB 3.62Å; F59-V77 HydrophobicContact CE1-CG1 3.52Å; F59-V77 HydrophobicContact CE1-CG2 4.35Å; F59-V77 HydrophobicContact CE2-CB 3.66Å; F59-V77 HydrophobicContact CE2-CG1 4.12Å; F59-V77 HydrophobicContact CE2-CG2 3.48Å; F59-V77 VanDerWaalsContact CE2-CG2 3.48Å; F59-V77 HydrophobicContact CG-CB 4.23Å; F59-V77 HydrophobicContact CZ-CB 3.45Å; F59-V77 VanDerWaalsContact CZ-CB 3.45Å; F59-V77 HydrophobicContact CZ-CG1 3.41Å; F59-V77 VanDerWaalsContact CZ-CG1 3.41Å; F59-V77 HydrophobicContact CZ-CG2 3.67Å; F59-V77 PolarHBondContact N-O 3.24Å; F59-V77 PolarHBondContact O-N 2.89Å; V61-V77 HydrophobicContact CG2-CG2 3.98Å; V77-W109 HydrophobicContact CG1-CD2 3.33Å; V77-W109 HydrophobicContact CG1-CE3 3.4Å; V77-W109 HydrophobicContact CG1-CG 3.93Å; V77-W109 HydrophobicContact CG1-CH2 3.84Å; V77-W109 HydrophobicContact CG1-CZ2 3.77Å; V77-W109 HydrophobicContact CG1-CZ3 3.64Å; V77-I111 HydrophobicContact CG2-CD1 4.18Å; V77-L116 HydrophobicContact CG2-CD1 3.83Å; V77-L120 CarbonylContact C-O 3.56Å; V77-L120 WeakPolarHBondContact CA-O 3.13Å; V77-L120 HydrophobicContact CG1-CB 4.38Å; V77-L120 HydrophobicContact CG1-CD2 4.33Å; V77-L120 HydrophobicContact CG1-CG 4.47Å; V77-L120 HydrophobicContact CG2-CB 4.28Å; V77-L120 HydrophobicContact CG2-CD2 4.24Å
78C92.4Very high96.1Very high44 Ų4444.6 Ų44.630%0.29725%0.248SC..EExtended strand (participates in β ladder)trans-14477-167-61.60000111.6T76 L120 T121T76-C78 PolarHBondContact OG1-SG 3.05Å; C78-L120 PolarHBondContact N-O 3.04Å; C78-T121 VanDerWaalsContact O-CA 3.3Å; C78-T121 WeakPolarHBondContact O-CA 3.21Å; C78-T121 WeakPolarHBondContact O-CB 3.38Å; C78-T121 WeakPolarHBondContact O-CG2 3.46Å
79G92.4Very high96.2Very high23 Ų2344.4 Ų44.424%0.23724%0.242CC..EExtended strand (participates in β ladder)trans-127.1-10.6167.700000114.7T121G79-T121 VanDerWaalsContact CA-O 3.32Å; G79-T121 WeakPolarHBondContact CA-O 3.49Å
80H97.4Very high96.2Very high10 Ų1035.2 Ų35.25%0.04621%0.208CC..EExtended strand (participates in β ladder)trans-72.1140.7175.5-81.3-66000111.9G56 G57 V84 S99 S101 D103 S105G56-H80 WeakPolarHBondContact CA-O 3.19Å; G57-H80 PolarHBondContact N-O 2.88Å; H80-V84 HydrophobicContact CB-CG2 4.27Å; H80-S99 PolarHBondContact CD2-OG 3.05Å; H80-S99 PolarHBondContact NE2-O 3.27Å; H80-S99 PolarHBondContact NE2-OG 2.98Å; H80-S101 VanDerWaalsContact CE1-CB 3.42Å; H80-S101 WeakPolarHBondContact CE1-CB 3.45Å; H80-S101 WeakPolarHBondContact ND1-CB 3.5Å; H80-D103 WeakPolarHBondContact CA-OD2 3.47Å; H80-D103 WeakPolarHBondContact CB-OD2 3.47Å; H80-D103 IonicContact CE1-OD1 3.62Å; H80-D103 IonicContact CG-OD2 2.75Å; H80-D103 IonicContact ND1-OD1 3.1Å; H80-D103 PolarHBondContact ND1-OD1 2.93Å; H80-D103 IonicContact ND1-OD2 3.4Å; H80-D103 PolarHBondContact ND1-OD2 2.92Å; H80-S105 PolarHBondContact CE1-OG 3.43Å; H80-S105 PolarHBondContact ND1-OG 3.46Å
81T96.6Very high96.1Very high116 Ų11636.9 Ų36.971%0.71222%0.22SC*.SBendtrans-91-4.7179.459.90000113.2D103T81-D103 PolarHBondContact N-OD2 3.41Å; T81-D103 WeakPolarHBondContact OG1-CB 3.4Å; T81-D103 PolarHBondContact OG1-OD2 3.1Å
82G96.1Very high96.2Very high9 Ų932.5 Ų32.59%0.09320%0.196CC..SBendtrans-140.1168.5171.900000112G57 V84 S101G57-G82 WeakPolarHBondContact CA-O 3.36Å; G57-G82 PolarHBondContact N-O 2.84Å; G82-V84 PolarHBondContact O-N 2.87Å; G82-S101 VanDerWaalsContact C-OG 3.31Å; G82-S101 PolarHBondContact O-OG 3.44Å
83P97Very high96.4Very high36 Ų3626.9 Ų26.923%0.23417%0.168CC..  trans-49.1136.5-179-29.834.4000113.6M33 S101 E102M33-P83 HydrophobicContact CG-CB 4.09Å; M33-P83 HydrophobicContact SD-CB 4.17Å; M33-P83 HydrophobicContact SD-CG 4.19Å; P83-S101 WeakPolarHBondContact O-CA 3.38Å; P83-S101 PolarHBondContact O-OG 2.96Å; P83-S101 VanDerWaalsContact O-OG 3.08Å; P83-E102 HydrophobicContact CB-CG 4.24Å; P83-E102 WeakPolarHBondContact CD-OE2 3.15Å; P83-E102 HydrophobicContact CG-CG 4.47Å; P83-E102 PolarHBondContact O-N 3.42Å
84V98.3Very high96.5Very high3 Ų322.2 Ų22.22%0.01814%0.135CC..EExtended strand (participates in β ladder)trans-76.7130.9172.5-178.70000108.3I50 F59 H80 G82 I87I50-V84 HydrophobicContact CD1-CG1 3.97Å; I50-V84 HydrophobicContact CG1-CG1 4.23Å; I50-V84 HydrophobicContact CG2-CB 4.07Å; I50-V84 WeakPolarHBondContact CG2-O 3.41Å; F59-V84 HydrophobicContact CD1-CG1 4.44Å; F59-V84 HydrophobicContact CD1-CG2 4.31Å; H80-V84 HydrophobicContact CB-CG2 4.27Å; G82-V84 PolarHBondContact O-N 2.87Å; V84-I87 HydrophobicContact CG1-CG2 3.7Å
85L97.9Very high96.6Very high2 Ų221.7 Ų21.71%0.0114%0.135CC..EExtended strand (participates in β ladder)trans-107-29.4-176-63.8-177.6000112.4W35 S37 G100 E102 R133W35-L85 HydrophobicContact CB-CD2 4.23Å; W35-L85 HydrophobicContact CD2-CD1 4.24Å; W35-L85 HydrophobicContact CD2-CD2 4.2Å; W35-L85 HydrophobicContact CE3-CD1 4.43Å; W35-L85 HydrophobicContact CE3-CD2 4.5Å; W35-L85 HydrophobicContact CG-CB 4.31Å; W35-L85 HydrophobicContact CG-CD2 4.08Å; W35-L85 HydrophobicContact CZ2-CD1 4.32Å; S37-L85 VanDerWaalsContact CB-O 3.32Å; S37-L85 WeakPolarHBondContact CB-O 3.49Å; S37-L85 PolarHBondContact OG-O 2.81Å; L85-G100 PolarHBondContact N-O 3.23Å; L85-E102 HydrophobicContact CD1-CG 3.83Å; L85-E102 HydrophobicContact CD2-CG 3.94Å; L85-E102 HydrophobicContact CG-CG 3.96Å; L85-R133 HydrophobicContact CD1-CB 3.74Å; L85-R133 HydrophobicContact CD1-CG 3.96Å
86D98.5Very high96.6Very high19 Ų1921 Ų2110%0.10213%0.13CC..EExtended strand (participates in β ladder)trans-148.5150.3178.2-156.114.1000111.5S99 G100 I136 L137D86-S99 WeakPolarHBondContact O-CA 3.37Å; D86-G100 PolarHBondContact N-O 2.92Å; D86-G100 PolarHBondContact O-N 2.84Å; D86-I136 WeakPolarHBondContact OD2-CA 3.47Å; D86-L137 HydrophobicContact CB-CG 4.43Å; D86-L137 PolarHBondContact OD2-N 2.68Å
87I98.7Very high96.7Very high5 Ų519.6 Ų19.63%0.02612%0.122CC..EExtended strand (participates in β ladder)trans-142.7138.7178.252.4169.9000110.1S41 S48 I50 F59 V84 I97 A98S41-I87 WeakPolarHBondContact CB-O 3.38Å; S48-I87 WeakPolarHBondContact OG-CD1 3.25Å; I50-I87 HydrophobicContact CD1-CG1 4.23Å; I50-I87 HydrophobicContact CD1-CG2 4.41Å; I50-I87 HydrophobicContact CG1-CD1 3.83Å; I50-I87 HydrophobicContact CG1-CG1 3.89Å; I50-I87 HydrophobicContact CG1-CG2 4.14Å; F59-I87 HydrophobicContact CB-CG2 4.36Å; F59-I87 HydrophobicContact CD1-CG2 4.07Å; F59-I87 HydrophobicContact CD2-CG2 4.45Å; F59-I87 HydrophobicContact CE1-CG2 4.44Å; F59-I87 HydrophobicContact CG-CG2 4.05Å; V84-I87 HydrophobicContact CG1-CG2 3.7Å; I87-I97 HydrophobicContact CB-CD1 4.22Å; I87-A98 VanDerWaalsContact CA-O 3.27Å; I87-A98 WeakPolarHBondContact CA-O 3.33Å
88E98.6Very high96.8Very high51 Ų5119.6 Ų19.624%0.23812%0.121CC..EExtended strand (participates in β ladder)trans-149.9124.5-179.7-161.6-172.6-169.900112.2S41 A98 L137 S138 W139S41-E88 WeakPolarHBondContact OG-CA 3.2Å; E88-A98 PolarHBondContact N-O 3.39Å; E88-A98 PolarHBondContact O-N 3.12Å; E88-L137 HydrophobicContact CB-CB 4.43Å; E88-S138 WeakPolarHBondContact OE2-CA 3.23Å; E88-S138 PolarHBondContact OE2-N 3.12Å; E88-W139 PolarHBondContact O-NE1 3.04Å; E88-W139 PolarHBondContact OE2-N 2.72Å
89F98.4Very high97.1Very high12 Ų1217.5 Ų17.55%0.05311%0.107CC..EExtended strand (participates in β ladder)trans-67.4141.1170.8-78.5-72.3000111.3S41 N43 F46 V61 I96 I97S41-F89 WeakPolarHBondContact O-CE2 3.1Å; S41-F89 WeakPolarHBondContact OG-CD2 3.47Å; S41-F89 PolarHBondContact OG-N 2.9Å; S41-F89 VanDerWaalsContact OG-N 3.12Å; N43-F89 HydrophobicContact CB-CB 4.17Å; N43-F89 HydrophobicContact CB-CD2 4.15Å; N43-F89 HydrophobicContact CB-CG 4.09Å; N43-F89 WeakPolarHBondContact ND2-CD1 3.36Å; N43-F89 WeakPolarHBondContact ND2-CG 3.47Å; F46-F89 HydrophobicContact CB-CE1 4.2Å; F46-F89 HydrophobicContact CB-CE2 4.3Å; F46-F89 HydrophobicContact CB-CZ 3.6Å; F46-F89 HydrophobicContact CD2-CE1 4.21Å; F46-F89 HydrophobicContact CD2-CZ 4.45Å; F46-F89 HydrophobicContact CG-CZ 4.43Å; V61-F89 HydrophobicContact CG1-CZ 4.18Å; F89-I96 WeakPolarHBondContact CA-O 3.49Å; F89-I96 WeakPolarHBondContact CD1-O 3.36Å; F89-I97 HydrophobicContact CD1-CB 3.74Å; F89-I97 HydrophobicContact CD1-CD1 4.23Å; F89-I97 HydrophobicContact CD1-CG1 4.15Å; F89-I97 HydrophobicContact CD2-CD1 4.25Å; F89-I97 HydrophobicContact CE1-CB 3.82Å; F89-I97 HydrophobicContact CE1-CD1 3.97Å; F89-I97 HydrophobicContact CE1-CG1 4.27Å; F89-I97 HydrophobicContact CE1-CG2 4.46Å; F89-I97 HydrophobicContact CE2-CD1 4Å; F89-I97 HydrophobicContact CG-CB 4.41Å; F89-I97 HydrophobicContact CG-CD1 4.36Å; F89-I97 HydrophobicContact CG-CG1 4.36Å; F89-I97 HydrophobicContact CZ-CD1 3.84Å
90C97.6Very high97.3Very high4 Ų416.4 Ų16.43%0.02710%0.096CC..  trans-64.1131.1172.9177.90000109.9H92 I96 W139C90-H92 PolarHBondContact O-N 3.47Å; C90-H92 PolarHBondContact SG-N 3.28Å; C90-H92 VanDerWaalsContact SG-N 3.44Å; C90-I96 HydrophobicContact CB-CB 3.83Å; C90-I96 HydrophobicContact CB-CG2 3.98Å; C90-I96 PolarHBondContact N-O 3.07Å; C90-W139 HydrophobicContact CB-CD2 4.15Å; C90-W139 HydrophobicContact CB-CZ2 4.1Å
91P95.4Very high97.4Very high42 Ų4215.9 Ų15.927%0.2739%0.094SC..SBendtrans-66.8-23.617926.2-33.9000112.4W139 R324P91-W139 HydrophobicContact CG-CB 3.99Å; P91-R324 PolarHBondContact O-NH2 3.23Å
92H95Very high97.4Very high9 Ų913.3 Ų13.34%0.0427%0.073CC..SBendtrans-99.8-12.4-174.6-45.6121.5000114.9C90 H140 P141 A143 P369C90-H92 PolarHBondContact O-N 3.47Å; C90-H92 PolarHBondContact SG-N 3.28Å; C90-H92 VanDerWaalsContact SG-N 3.44Å; H92-H140 PolarHBondContact CE1-O 2.95Å; H92-P141 PolarHBondContact NE2-O 2.86Å; H92-A143 PolarHBondContact CE1-O 2.85Å; H92-P369 WeakPolarHBondContact CA-O 3.5Å; H92-P369 VanDerWaalsContact CB-O 3.22Å; H92-P369 WeakPolarHBondContact CB-O 3.34Å; H92-P369 PolarHBondContact CD2-O 3.04Å
93N94.6Very high97.5Very high6 Ų614.4 Ų14.43%0.0328%0.077CC..  trans-145110.6177.9-172.6-25.2000110.4N95 I96 T401N93-N95 PolarHBondContact O-N 3.34Å; N93-N95 PolarHBondContact OD1-N 3.31Å; N93-I96 HydrophobicContact CB-CB 4.25Å; N93-I96 HydrophobicContact CB-CG1 3.88Å; N93-I96 PolarHBondContact O-N 2.96Å; N93-T401 WeakPolarHBondContact ND2-CG2 3.18Å
94D95.6Very high97.5Very high2 Ų214.3 Ų14.31%0.0118%0.077CC..THydrogen-bonded Turntrans-67.9-7.4-175.8-66.7-25.2000113.6N43 K45 F46 R324N43-D94 VanDerWaalsContact ND2-C 3.34Å; N43-D94 VanDerWaalsContact ND2-CA 3.28Å; N43-D94 WeakPolarHBondContact ND2-CA 3.34Å; N43-D94 PolarHBondContact ND2-O 2.84Å; K45-D94 HydrophobicContact CD-CB 3.56Å; K45-D94 HydrophobicContact CG-CB 4.06Å; F46-D94 WeakPolarHBondContact CD2-O 3.46Å; F46-D94 WeakPolarHBondContact CE2-O 3.39Å; D94-R324 IonicContact OD1-CZ 3.45Å; D94-R324 IonicContact OD1-NH1 3.45Å; D94-R324 PolarHBondContact OD1-NH1 2.93Å; D94-R324 VanDerWaalsContact OD1-NH1 3.1Å; D94-R324 IonicContact OD1-NH2 2.7Å; D94-R324 PolarHBondContact OD1-NH2 2.77Å; D94-R324 IonicContact OD2-CZ 2.6Å; D94-R324 IonicContact OD2-NH1 3.51Å; D94-R324 PolarHBondContact OD2-NH1 3.34Å; D94-R324 IonicContact OD2-NH2 3.87Å
95N96.5Very high97.5Very high18 Ų1814.3 Ų14.310%0.0968%0.077CC..THydrogen-bonded Turntrans-100.1-6.3175.3-67.981.2000113K45 N93 E110 I111 D113K45-N95 PolarHBondContact NZ-ND2 3.3Å; K45-N95 PolarHBondContact NZ-OD1 3.16Å; N93-N95 PolarHBondContact O-N 3.34Å; N93-N95 PolarHBondContact OD1-N 3.31Å; N95-E110 WeakPolarHBondContact O-CA 3.25Å; N95-I111 WeakPolarHBondContact CB-O 3.26Å; N95-I111 PolarHBondContact ND2-O 3.32Å; N95-I111 PolarHBondContact O-N 3.47Å; N95-D113 PolarHBondContact ND2-OD1 2.99Å
96I97.6Very high97.6Very high0 Ų014.3 Ų14.30%08%0.077CC..EExtended strand (participates in β ladder)trans-102.5130.6-178.4-59.1-62.6000110.5F89 C90 N93 I108 W109 E110 W139 F404F89-I96 WeakPolarHBondContact CA-O 3.49Å; F89-I96 WeakPolarHBondContact CD1-O 3.36Å; C90-I96 HydrophobicContact CB-CB 3.83Å; C90-I96 HydrophobicContact CB-CG2 3.98Å; C90-I96 PolarHBondContact N-O 3.07Å; N93-I96 HydrophobicContact CB-CB 4.25Å; N93-I96 HydrophobicContact CB-CG1 3.88Å; N93-I96 PolarHBondContact O-N 2.96Å; I96-I108 HydrophobicContact CG2-CG2 3.64Å; I96-W109 WeakPolarHBondContact CA-O 3.45Å; I96-E110 HydrophobicContact CD1-CB 3.83Å; I96-E110 HydrophobicContact CD1-CG 4.06Å; I96-W139 HydrophobicContact CG2-CH2 4.15Å; I96-W139 HydrophobicContact CG2-CZ2 3.99Å; I96-F404 HydrophobicContact CD1-CB 4.08Å; I96-F404 HydrophobicContact CD1-CD1 3.76Å; I96-F404 HydrophobicContact CD1-CD2 4.26Å; I96-F404 HydrophobicContact CD1-CE1 4.21Å; I96-F404 HydrophobicContact CD1-CG 3.77Å; I96-F404 HydrophobicContact CG1-CB 4.29Å; I96-F404 HydrophobicContact CG1-CD2 4.17Å; I96-F404 HydrophobicContact CG1-CG 4.09Å; I96-F404 HydrophobicContact CG2-CE2 4.47Å
97I98.6Very high97.6Very high0 Ų013.8 Ų13.80%07%0.074CC..EExtended strand (participates in β ladder)trans-131.6139.2174.2-171.2171.3000110.2S48 F59 I87 F89 W109 I111S48-I97 WeakPolarHBondContact OG-CD1 3.16Å; F59-I97 HydrophobicContact CE2-CD1 3.97Å; F59-I97 HydrophobicContact CE2-CG2 4.04Å; F59-I97 HydrophobicContact CZ-CG2 4.11Å; I87-I97 HydrophobicContact CB-CD1 4.22Å; F89-I97 HydrophobicContact CD1-CB 3.74Å; F89-I97 HydrophobicContact CD1-CD1 4.23Å; F89-I97 HydrophobicContact CD1-CG1 4.15Å; F89-I97 HydrophobicContact CD2-CD1 4.25Å; F89-I97 HydrophobicContact CE1-CB 3.82Å; F89-I97 HydrophobicContact CE1-CD1 3.97Å; F89-I97 HydrophobicContact CE1-CG1 4.27Å; F89-I97 HydrophobicContact CE1-CG2 4.46Å; F89-I97 HydrophobicContact CE2-CD1 4Å; F89-I97 HydrophobicContact CG-CB 4.41Å; F89-I97 HydrophobicContact CG-CD1 4.36Å; F89-I97 HydrophobicContact CG-CG1 4.36Å; F89-I97 HydrophobicContact CZ-CD1 3.84Å; I97-W109 HydrophobicContact CG2-CB 3.79Å; I97-W109 HydrophobicContact CG2-CG 4.35Å; I97-W109 PolarHBondContact N-O 2.96Å; I97-W109 PolarHBondContact O-N 2.78Å; I97-I111 HydrophobicContact CG2-CD1 3.91Å; I97-I111 HydrophobicContact CG2-CG1 3.89Å
98A98.8Very high97.6Very high0 Ų013.5 Ų13.50%07%0.073CC..EExtended strand (participates in β ladder)trans-99.9147.2171.400000110.4I87 E88 M107 I108 L137 W139 L147I87-A98 VanDerWaalsContact CA-O 3.27Å; I87-A98 WeakPolarHBondContact CA-O 3.33Å; E88-A98 PolarHBondContact N-O 3.39Å; E88-A98 PolarHBondContact O-N 3.12Å; A98-M107 CarbonylContact C-O 3.57Å; A98-M107 WeakPolarHBondContact CA-O 3.38Å; A98-I108 HydrophobicContact CB-CD1 3.61Å; A98-L137 HydrophobicContact CB-CD1 3.85Å; A98-W139 HydrophobicContact CB-CZ2 3.76Å; A98-L147 HydrophobicContact CB-CD1 4.45Å; A98-L147 HydrophobicContact CB-CD2 3.9Å
99S98.8Very high97.5Very high0 Ų011.1 Ų11.10%06%0.062CC..EExtended strand (participates in β ladder)trans-133.6137171.9620000111.8H80 D86 V106 M107 W109H80-S99 PolarHBondContact CD2-OG 3.05Å; H80-S99 PolarHBondContact NE2-O 3.27Å; H80-S99 PolarHBondContact NE2-OG 2.98Å; D86-S99 WeakPolarHBondContact O-CA 3.37Å; S99-V106 CarbonylContact O-C 3.55Å; S99-V106 VanDerWaalsContact O-CA 3.3Å; S99-V106 WeakPolarHBondContact O-CA 3.41Å; S99-M107 PolarHBondContact N-O 2.92Å; S99-M107 PolarHBondContact O-N 3.05Å; S99-W109 PolarHBondContact OG-NE1 3.47Å
100G98.5Very high97.5Very high0 Ų015.5 Ų15.50%08%0.082CC..EExtended strand (participates in β ladder)trans-112.7140.3175.200000110.3L85 D86 V134L85-G100 PolarHBondContact N-O 3.23Å; D86-G100 PolarHBondContact N-O 2.92Å; D86-G100 PolarHBondContact O-N 2.84Å; G100-V134 CarbonylContact C-O 3.55Å
101S98.1Very high97.4Very high0 Ų015.3 Ų15.30%08%0.081CC..EExtended strand (participates in β ladder)trans-133.4162.4-170171.30000114H80 G82 P83 D103 C104 S105 R133 V134H80-S101 VanDerWaalsContact CE1-CB 3.42Å; H80-S101 WeakPolarHBondContact CE1-CB 3.45Å; H80-S101 WeakPolarHBondContact ND1-CB 3.5Å; G82-S101 VanDerWaalsContact C-OG 3.31Å; G82-S101 PolarHBondContact O-OG 3.44Å; P83-S101 WeakPolarHBondContact O-CA 3.38Å; P83-S101 PolarHBondContact O-OG 2.96Å; P83-S101 VanDerWaalsContact O-OG 3.08Å; S101-D103 VanDerWaalsContact CB-OD1 3.3Å; S101-D103 WeakPolarHBondContact CB-OD1 3.42Å; S101-D103 PolarHBondContact O-N 2.89Å; S101-D103 VanDerWaalsContact OG-CG 3.28Å; S101-D103 PolarHBondContact OG-N 3.01Å; S101-D103 PolarHBondContact OG-OD1 3.5Å; S101-C104 PolarHBondContact O-N 3.09Å; S101-S105 PolarHBondContact N-O 2.95Å; S101-R133 WeakPolarHBondContact O-CA 3.47Å; S101-V134 PolarHBondContact N-O 3.07Å; S101-V134 PolarHBondContact O-N 2.85Å
102E97.4Very high97.4Very high61 Ų6116.5 Ų16.529%0.2859%0.088SC..THydrogen-bonded Turntrans-58.1-20.6164.3-71.7-162.215700114.3P83 L85 C104 R133P83-E102 HydrophobicContact CB-CG 4.24Å; P83-E102 WeakPolarHBondContact CD-OE2 3.15Å; P83-E102 HydrophobicContact CG-CG 4.47Å; P83-E102 PolarHBondContact O-N 3.42Å; L85-E102 HydrophobicContact CD1-CG 3.83Å; L85-E102 HydrophobicContact CD2-CG 3.94Å; L85-E102 HydrophobicContact CG-CG 3.96Å; E102-C104 PolarHBondContact O-N 3.34Å; E102-C104 VanDerWaalsContact O-N 3.13Å; E102-R133 HydrophobicContact CB-CB 4.3Å; E102-R133 HydrophobicContact CG-CB 4.14Å; E102-R133 IonicContact OE1-CZ 3.75Å; E102-R133 IonicContact OE1-NH1 3.81Å; E102-R133 PolarHBondContact OE1-NH1 2.98Å; E102-R133 IonicContact OE1-NH2 3.73Å; E102-R133 PolarHBondContact OE1-NH2 2.88Å
103D97.3Very high97.2Very high33 Ų3321.6 Ų21.618%0.17612%0.116CC..THydrogen-bonded Turntrans-74.28.3174.771.316.3000114.8H80 T81 S101 S105H80-D103 WeakPolarHBondContact CA-OD2 3.47Å; H80-D103 WeakPolarHBondContact CB-OD2 3.47Å; H80-D103 IonicContact CE1-OD1 3.62Å; H80-D103 IonicContact CG-OD2 2.75Å; H80-D103 IonicContact ND1-OD1 3.1Å; H80-D103 PolarHBondContact ND1-OD1 2.93Å; H80-D103 IonicContact ND1-OD2 3.4Å; H80-D103 PolarHBondContact ND1-OD2 2.92Å; T81-D103 PolarHBondContact N-OD2 3.41Å; T81-D103 WeakPolarHBondContact OG1-CB 3.4Å; T81-D103 PolarHBondContact OG1-OD2 3.1Å; S101-D103 VanDerWaalsContact CB-OD1 3.3Å; S101-D103 WeakPolarHBondContact CB-OD1 3.42Å; S101-D103 PolarHBondContact O-N 2.89Å; S101-D103 VanDerWaalsContact OG-CG 3.28Å; S101-D103 PolarHBondContact OG-N 3.01Å; S101-D103 PolarHBondContact OG-OD1 3.5Å; D103-S105 PolarHBondContact O-N 2.98Å; D103-S105 WeakPolarHBondContact OD1-CB 3.46Å; D103-S105 PolarHBondContact OD1-N 3.33Å; D103-S105 PolarHBondContact OD1-OG 3.19Å
104C98.3Very high97Very high34 Ų3424.5 Ų24.523%0.2315%0.148CC..SBendtrans694.5178.2-45.60000114.6S101 E102 K132S101-C104 PolarHBondContact O-N 3.09Å; E102-C104 PolarHBondContact O-N 3.34Å; E102-C104 VanDerWaalsContact O-N 3.13Å; C104-K132 WeakPolarHBondContact SG-CA 3.36Å
105S98.1Very high97Very high3 Ų324.5 Ų24.52%0.02115%0.148CC..EExtended strand (participates in β ladder)trans-101.4156.4177.674.20000112.5H80 S101 D103H80-S105 PolarHBondContact CE1-OG 3.43Å; H80-S105 PolarHBondContact ND1-OG 3.46Å; S101-S105 PolarHBondContact N-O 2.95Å; D103-S105 PolarHBondContact O-N 2.98Å; D103-S105 WeakPolarHBondContact OD1-CB 3.46Å; D103-S105 PolarHBondContact OD1-N 3.33Å; D103-S105 PolarHBondContact OD1-OG 3.19Å
106V98.8Very high96.9Very high1 Ų124.1 Ų24.11%0.00615%0.146CC..EExtended strand (participates in β ladder)trans-112.1130.3163179.30000108S99 I108 L127 V134 L137 L147S99-V106 CarbonylContact O-C 3.55Å; S99-V106 VanDerWaalsContact O-CA 3.3Å; S99-V106 WeakPolarHBondContact O-CA 3.41Å; V106-I108 HydrophobicContact CG1-CD1 4.35Å; V106-L127 HydrophobicContact CB-CB 4.12Å; V106-L127 HydrophobicContact CB-CD1 4.23Å; V106-L127 HydrophobicContact CG1-CD1 4.07Å; V106-L127 PolarHBondContact N-O 3.42Å; V106-L127 PolarHBondContact O-N 3.28Å; V106-V134 HydrophobicContact CG2-CB 4.22Å; V106-V134 HydrophobicContact CG2-CG1 3.66Å; V106-V134 HydrophobicContact CG2-CG2 4.27Å; V106-L137 HydrophobicContact CG1-CD2 3.8Å; V106-L137 HydrophobicContact CG2-CD2 3.91Å; V106-L147 HydrophobicContact CG1-CD2 3.85Å
107M98.6Very high96.8Very high8 Ų830.7 Ų30.74%0.03919%0.186CC..EExtended strand (participates in β ladder)trans-117.6141.1179.4-71.3-177-177.700110.6A98 S99 W109 P123 K126A98-M107 CarbonylContact C-O 3.57Å; A98-M107 WeakPolarHBondContact CA-O 3.38Å; S99-M107 PolarHBondContact N-O 2.92Å; S99-M107 PolarHBondContact O-N 3.05Å; M107-W109 HydrophobicContact CB-CH2 4.44Å; M107-W109 HydrophobicContact CB-CZ2 3.52Å; M107-W109 HydrophobicContact CG-CZ2 4.07Å; M107-W109 PolarHBondContact O-NE1 2.76Å; M107-W109 HydrophobicContact SD-CH2 3.69Å; M107-W109 HydrophobicContact SD-CZ2 3.39Å; M107-W109 WeakPolarHBondContact SD-CZ2 3.35Å; M107-P123 HydrophobicContact CB-CB 3.87Å; M107-P123 HydrophobicContact CB-CG 4.37Å; M107-P123 HydrophobicContact CG-CB 4.09Å; M107-P123 HydrophobicContact CG-CG 4.03Å; M107-P123 HydrophobicContact SD-CB 4.28Å; M107-P123 HydrophobicContact SD-CG 3.93Å; M107-K126 HydrophobicContact CE-CD 3.99Å; M107-K126 HydrophobicContact CE-CG 4.16Å; M107-K126 HydrophobicContact CG-CG 4.16Å
108I98.5Very high96.7Very high0 Ų034.1 Ų34.10%021%0.21CC..EExtended strand (participates in β ladder)trans-112.7130178.7-48.2-62.7000108.9I96 A98 V106 P123 V124 V125 L127 W139 L147 V161 F404I96-I108 HydrophobicContact CG2-CG2 3.64Å; A98-I108 HydrophobicContact CB-CD1 3.61Å; V106-I108 HydrophobicContact CG1-CD1 4.35Å; I108-P123 CarbonylContact O-C 3.45Å; I108-P123 WeakPolarHBondContact O-CB 3.26Å; I108-V124 PolarHBondContact O-N 3.16Å; I108-V125 HydrophobicContact CB-CB 4.03Å; I108-V125 HydrophobicContact CG1-CB 3.99Å; I108-V125 PolarHBondContact N-O 3.31Å; I108-V125 PolarHBondContact O-N 3.07Å; I108-L127 HydrophobicContact CD1-CD1 4.3Å; I108-L127 HydrophobicContact CG1-CD1 4.34Å; I108-W139 HydrophobicContact CD1-CH2 4.1Å; I108-W139 HydrophobicContact CD1-CZ2 4.04Å; I108-W139 HydrophobicContact CG2-CH2 4.43Å; I108-L147 HydrophobicContact CD1-CD2 3.68Å; I108-V161 HydrophobicContact CB-CG1 4.36Å; I108-V161 HydrophobicContact CD1-CG1 4.27Å; I108-V161 HydrophobicContact CD1-CG2 4.46Å; I108-V161 HydrophobicContact CG1-CG1 3.71Å; I108-V161 HydrophobicContact CG2-CG1 4.15Å; I108-F404 HydrophobicContact CG2-CE1 4.3Å; I108-F404 HydrophobicContact CG2-CZ 3.78Å
109W98.1Very high96.5Very high1 Ų137.9 Ų37.90%0.00424%0.235CC..EExtended strand (participates in β ladder)trans-123.3139.4-171.8-48.289.4000110.3F59 V77 I96 I97 S99 M107 I111 L120 P123F59-W109 AromaticContact CE1-NE1 3.7Å; F59-W109 AromaticContact CZ-CD1 3.61Å; F59-W109 HydrophobicContact CZ-CD2 4.48Å; F59-W109 HydrophobicContact CZ-CG 4.05Å; F59-W109 AromaticContact CZ-NE1 3.76Å; V77-W109 HydrophobicContact CG1-CD2 3.33Å; V77-W109 HydrophobicContact CG1-CE3 3.4Å; V77-W109 HydrophobicContact CG1-CG 3.93Å; V77-W109 HydrophobicContact CG1-CH2 3.84Å; V77-W109 HydrophobicContact CG1-CZ2 3.77Å; V77-W109 HydrophobicContact CG1-CZ3 3.64Å; I96-W109 WeakPolarHBondContact CA-O 3.45Å; I97-W109 HydrophobicContact CG2-CB 3.79Å; I97-W109 HydrophobicContact CG2-CG 4.35Å; I97-W109 PolarHBondContact N-O 2.96Å; I97-W109 PolarHBondContact O-N 2.78Å; S99-W109 PolarHBondContact OG-NE1 3.47Å; M107-W109 HydrophobicContact CB-CH2 4.44Å; M107-W109 HydrophobicContact CB-CZ2 3.52Å; M107-W109 HydrophobicContact CG-CZ2 4.07Å; M107-W109 PolarHBondContact O-NE1 2.76Å; M107-W109 HydrophobicContact SD-CH2 3.69Å; M107-W109 HydrophobicContact SD-CZ2 3.39Å; M107-W109 WeakPolarHBondContact SD-CZ2 3.35Å; W109-I111 HydrophobicContact CB-CD1 4.27Å; W109-L120 HydrophobicContact CB-CD2 4.17Å; W109-L120 HydrophobicContact CE3-CD2 3.84Å; W109-L120 HydrophobicContact CE3-CG 3.89Å; W109-L120 HydrophobicContact CZ3-CG 4.27Å; W109-P123 HydrophobicContact CD2-CB 4.19Å; W109-P123 HydrophobicContact CE3-CB 3.96Å; W109-P123 HydrophobicContact CH2-CB 3.94Å; W109-P123 HydrophobicContact CH2-CG 4.35Å; W109-P123 HydrophobicContact CZ2-CB 4.18Å; W109-P123 HydrophobicContact CZ3-CB 3.84Å; W109-P123 HydrophobicContact CZ3-CG 4.47Å
110E96.7Very high96.5Very high103 Ų10339.9 Ų39.948%0.48125%0.245SC..EExtended strand (participates in β ladder)trans-103.2118168.6-177.8173.6-160.500108.7N95 I96 V124N95-E110 WeakPolarHBondContact O-CA 3.25Å; I96-E110 HydrophobicContact CD1-CB 3.83Å; I96-E110 HydrophobicContact CD1-CG 4.06Å; E110-V124 HydrophobicContact CB-CG2 3.65Å
111I96.6Very high96.3Very high1 Ų143.2 Ų43.21%0.00527%0.265CS..PPolyproline II helixtrans-91.9122.9-178.7-53.3-54.1000108.2F46 V61 V77 N95 I97 W109 L120F46-I111 HydrophobicContact CD1-CG2 4.31Å; F46-I111 HydrophobicContact CD2-CG2 4.43Å; F46-I111 HydrophobicContact CE1-CG2 3.97Å; F46-I111 HydrophobicContact CE2-CB 4.34Å; F46-I111 HydrophobicContact CE2-CG2 4.09Å; F46-I111 HydrophobicContact CZ-CB 4.49Å; F46-I111 HydrophobicContact CZ-CG2 3.85Å; V61-I111 HydrophobicContact CB-CD1 4.49Å; V61-I111 HydrophobicContact CG1-CG1 4.25Å; V61-I111 HydrophobicContact CG1-CG2 3.84Å; V61-I111 HydrophobicContact CG2-CD1 3.96Å; V61-I111 HydrophobicContact CG2-CG1 4.43Å; V77-I111 HydrophobicContact CG2-CD1 4.18Å; N95-I111 WeakPolarHBondContact CB-O 3.26Å; N95-I111 PolarHBondContact ND2-O 3.32Å; N95-I111 PolarHBondContact O-N 3.47Å; I97-I111 HydrophobicContact CG2-CD1 3.91Å; I97-I111 HydrophobicContact CG2-CG1 3.89Å; W109-I111 HydrophobicContact CB-CD1 4.27Å; I111-L120 HydrophobicContact CD1-CD2 4.1Å
112P95Very high96.2Very high66 Ų6650.2 Ų50.243%0.42930%0.298SS..PPolyproline II helixtrans-60.4149.8175.8-23.233.8000112.7G114 G115P112-G114 PolarHBondContact O-N 3.06Å; P112-G115 PolarHBondContact O-N 3.02Å
113D91.2Very high96.2Very high117 Ų11748.8 Ų48.863%0.62629%0.294SS*.THydrogen-bonded Turntrans-58.8135.8168.3-73.3-20.4000110.8K45 N95 G115K45-D113 WeakPolarHBondContact CE-OD1 3.25Å; K45-D113 IonicContact NZ-OD1 3.46Å; K45-D113 PolarHBondContact NZ-OD1 3.37Å; N95-D113 PolarHBondContact ND2-OD1 2.99Å; D113-G115 VanDerWaalsContact C-N 3.27Å
114G90.4Very high96.1Very high67 Ų6749.4 Ų49.469%0.69130%0.299SS*.THydrogen-bonded Turntrans82.1-0.8-172.500000114.7P63 P112P63-G114 WeakPolarHBondContact CG-O 3.31Å; P112-G114 PolarHBondContact O-N 3.06Å
115G94.3Very high96Very high2 Ų247.8 Ų47.82%0.02129%0.288CS..  trans87.4-166.8175.800000113.4P112 D113P112-G115 PolarHBondContact O-N 3.02Å; D113-G115 VanDerWaalsContact C-N 3.27Å
116L96.2Very high96Very high10 Ų1052.2 Ų52.25%0.05231%0.307CS..  trans-80.9133.9-174.5-59.8-179.1000111.8Y74 P75 V77 L120Y74-L116 PolarHBondContact OH-O 2.7Å; P75-L116 HydrophobicContact CB-CB 4Å; P75-L116 HydrophobicContact CG-CB 3.62Å; P75-L116 VanDerWaalsContact CG-O 3.29Å; P75-L116 WeakPolarHBondContact CG-O 3.5Å; V77-L116 HydrophobicContact CG2-CD1 3.83Å; L116-L120 HydrophobicContact CD2-CB 4.1Å; L116-L120 HydrophobicContact CD2-CD2 4.38Å
117T94.9Very high96Very high137 Ų13752.2 Ų52.284%0.8431%0.307SS*.SBendtrans-106.4-20.517154.80000113
118S95.8Very high95.9Very high73 Ų7356.4 Ų56.451%0.5133%0.327SS..SBendtrans-143.9158.5175.155.70000109P75 L120P75-S118 WeakPolarHBondContact CB-O 3.49Å; S118-L120 PolarHBondContact O-N 3.25Å
119P96Very high95.8Very high79 Ų7957.6 Ų57.651%0.51334%0.339SS..  trans-54134.1174.8-25.334.9000111P75 T76P75-P119 HydrophobicContact CB-CG 4.36Å; T76-P119 WeakPolarHBondContact O-CA 3.3Å
120L97Very high95.8Very high41 Ų4158.2 Ų58.222%0.21534%0.342CS..BIsolated β-bridgetrans-97.3106.1177.9-177.964.8000108.5T76 V77 C78 W109 I111 L116 S118T76-L120 PolarHBondContact O-N 3.22Å; V77-L120 CarbonylContact C-O 3.56Å; V77-L120 WeakPolarHBondContact CA-O 3.13Å; V77-L120 HydrophobicContact CG1-CB 4.38Å; V77-L120 HydrophobicContact CG1-CD2 4.33Å; V77-L120 HydrophobicContact CG1-CG 4.47Å; V77-L120 HydrophobicContact CG2-CB 4.28Å; V77-L120 HydrophobicContact CG2-CD2 4.24Å; C78-L120 PolarHBondContact N-O 3.04Å; W109-L120 HydrophobicContact CB-CD2 4.17Å; W109-L120 HydrophobicContact CE3-CD2 3.84Å; W109-L120 HydrophobicContact CE3-CG 3.89Å; W109-L120 HydrophobicContact CZ3-CG 4.27Å; I111-L120 HydrophobicContact CD1-CD2 4.1Å; L116-L120 HydrophobicContact CD2-CB 4.1Å; L116-L120 HydrophobicContact CD2-CD2 4.38Å; S118-L120 PolarHBondContact O-N 3.25Å
121T95.8Very high95.8Very high70 Ų7057.9 Ų57.943%0.42935%0.35SS..  trans-105.2-27.7-172.760.30000113.8C78 G79C78-T121 VanDerWaalsContact O-CA 3.3Å; C78-T121 WeakPolarHBondContact O-CA 3.21Å; C78-T121 WeakPolarHBondContact O-CB 3.38Å; C78-T121 WeakPolarHBondContact O-CG2 3.46Å; G79-T121 VanDerWaalsContact CA-O 3.32Å; G79-T121 WeakPolarHBondContact CA-O 3.49Å
122E95.4Very high95.9Very high147 Ų14763.2 Ų63.269%0.68737%0.373SS*.SBendtrans-99.8118.3-177.6-62.3-56.8140.500110.4
123P96.6Very high96.1Very high31 Ų3164.7 Ų64.720%0.20137%0.37CS..  trans-74155.1173.333.1-36000110.7M107 I108 W109 V125 K126M107-P123 HydrophobicContact CB-CB 3.87Å; M107-P123 HydrophobicContact CB-CG 4.37Å; M107-P123 HydrophobicContact CG-CB 4.09Å; M107-P123 HydrophobicContact CG-CG 4.03Å; M107-P123 HydrophobicContact SD-CB 4.28Å; M107-P123 HydrophobicContact SD-CG 3.93Å; I108-P123 CarbonylContact O-C 3.45Å; I108-P123 WeakPolarHBondContact O-CB 3.26Å; W109-P123 HydrophobicContact CD2-CB 4.19Å; W109-P123 HydrophobicContact CE3-CB 3.96Å; W109-P123 HydrophobicContact CH2-CB 3.94Å; W109-P123 HydrophobicContact CH2-CG 4.35Å; W109-P123 HydrophobicContact CZ2-CB 4.18Å; W109-P123 HydrophobicContact CZ3-CB 3.84Å; W109-P123 HydrophobicContact CZ3-CG 4.47Å; P123-V125 VanDerWaalsContact C-N 3.33Å; P123-K126 HydrophobicContact CG-CB 4.32Å
124V95.8Very high96.4Very high46 Ų4659.1 Ų59.128%0.27934%0.34SS..SBendtrans-71.5-35.4173.3-1660000110.5I108 E110 F404 V406I108-V124 PolarHBondContact O-N 3.16Å; E110-V124 HydrophobicContact CB-CG2 3.65Å; V124-F404 HydrophobicContact CB-CE1 4.16Å; V124-F404 HydrophobicContact CG1-CD1 4.24Å; V124-F404 HydrophobicContact CG1-CE1 3.8Å; V124-V406 HydrophobicContact CG1-CB 4.45Å; V124-V406 HydrophobicContact CG1-CG2 3.74Å
125V96.9Very high96.8Very high1 Ų156.1 Ų56.11%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-139.9134.1176.1-174.90000108.8I108 P123 L127 V161 F404 V406 L411I108-V125 HydrophobicContact CB-CB 4.03Å; I108-V125 HydrophobicContact CG1-CB 3.99Å; I108-V125 PolarHBondContact N-O 3.31Å; I108-V125 PolarHBondContact O-N 3.07Å; P123-V125 VanDerWaalsContact C-N 3.33Å; V125-L127 HydrophobicContact CG1-CD2 3.54Å; V125-L127 HydrophobicContact CG1-CG 4.08Å; V125-V161 HydrophobicContact CG2-CG1 4.3Å; V125-F404 HydrophobicContact CG2-CE1 4.4Å; V125-F404 HydrophobicContact CG2-CZ 4.3Å; V125-V406 HydrophobicContact CG2-CB 4.37Å; V125-V406 HydrophobicContact CG2-CG1 3.73Å; V125-V406 HydrophobicContact CG2-CG2 3.67Å; V125-L411 HydrophobicContact CG1-CD2 3.93Å
126K97.1Very high97Very high95 Ų9556.9 Ų56.941%0.41331%0.312SS..EExtended strand (participates in β ladder)trans-112.1123.8168.1-169.1-175.5-175.7-160.30108.4M107 P123 E128M107-K126 HydrophobicContact CE-CD 3.99Å; M107-K126 HydrophobicContact CE-CG 4.16Å; M107-K126 HydrophobicContact CG-CG 4.16Å; P123-K126 HydrophobicContact CG-CB 4.32Å; K126-E128 HydrophobicContact CD-CG 4.36Å; K126-E128 WeakPolarHBondContact CD-OE1 3.45Å; K126-E128 WeakPolarHBondContact CE-OE1 3.46Å; K126-E128 HydrophobicContact CG-CG 4.26Å; K126-E128 IonicContact NZ-OE1 3.18Å; K126-E128 PolarHBondContact NZ-OE1 3.38Å
127L98.1Very high97.1Very high2 Ų256.9 Ų56.91%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-106.9120.3-178.8-53.6171.2000108.3V106 I108 V125 L147 W159 V161V106-L127 HydrophobicContact CB-CB 4.12Å; V106-L127 HydrophobicContact CB-CD1 4.23Å; V106-L127 HydrophobicContact CG1-CD1 4.07Å; V106-L127 PolarHBondContact N-O 3.42Å; V106-L127 PolarHBondContact O-N 3.28Å; I108-L127 HydrophobicContact CD1-CD1 4.3Å; I108-L127 HydrophobicContact CG1-CD1 4.34Å; V125-L127 HydrophobicContact CG1-CD2 3.54Å; V125-L127 HydrophobicContact CG1-CG 4.08Å; L127-L147 HydrophobicContact CD1-CD2 4.21Å; L127-W159 HydrophobicContact CB-CD2 4.02Å; L127-W159 HydrophobicContact CB-CE3 3.91Å; L127-W159 HydrophobicContact CB-CH2 4.03Å; L127-W159 HydrophobicContact CB-CZ2 4.12Å; L127-W159 HydrophobicContact CB-CZ3 3.92Å; L127-W159 HydrophobicContact CD1-CB 4.03Å; L127-W159 HydrophobicContact CD1-CD2 3.87Å; L127-W159 HydrophobicContact CD1-CE3 4.29Å; L127-W159 HydrophobicContact CD1-CG 3.74Å; L127-W159 HydrophobicContact CD2-CD2 4.22Å; L127-W159 HydrophobicContact CD2-CE3 3.8Å; L127-W159 HydrophobicContact CD2-CZ3 4.35Å; L127-W159 HydrophobicContact CG-CD2 4.25Å; L127-W159 HydrophobicContact CG-CE3 4.21Å; L127-V161 HydrophobicContact CD1-CG2 4.35Å
128E96.5Very high97.3Very high95 Ų9551 Ų5144%0.44428%0.277SS..EExtended strand (participates in β ladder)trans-122.8127.6-177.2-62.5-177.2155.800108.7K126K126-E128 HydrophobicContact CD-CG 4.36Å; K126-E128 WeakPolarHBondContact CD-OE1 3.45Å; K126-E128 WeakPolarHBondContact CE-OE1 3.46Å; K126-E128 HydrophobicContact CG-CG 4.26Å; K126-E128 IonicContact NZ-OE1 3.18Å; K126-E128 PolarHBondContact NZ-OE1 3.38Å
129G96.7Very high97.4Very high25 Ų2548 Ų4826%0.25825%0.254SS..  trans175.1-20.4-17700000114.6R169G129-R169 PolarHBondContact O-NH1 3.47Å; G129-R169 PolarHBondContact O-NH2 3.28Å
130H98.4Very high97.5Very high15 Ų1544.2 Ų44.27%0.06923%0.23CC..  trans-80.6147.2166.6-72.5-73.7000111.3V134 S149 G151 D153 V155H130-V134 HydrophobicContact CB-CG2 3.63Å; H130-V134 VanDerWaalsContact CD2-CG2 3.43Å; H130-V134 WeakPolarHBondContact CD2-CG2 3.35Å; H130-S149 PolarHBondContact CD2-OG 3.42Å; H130-S149 PolarHBondContact NE2-OG 2.99Å; H130-G151 PolarHBondContact CE1-N 3.45Å; H130-D153 WeakPolarHBondContact CA-OD2 3.36Å; H130-D153 WeakPolarHBondContact CB-OD2 3.17Å; H130-D153 IonicContact CE1-OD1 3.93Å; H130-D153 IonicContact CG-OD2 2.88Å; H130-D153 IonicContact ND1-OD1 3.8Å; H130-D153 PolarHBondContact ND1-OD1 2.95Å; H130-D153 IonicContact ND1-OD2 3.77Å; H130-D153 PolarHBondContact ND1-OD2 3.08Å; H130-D153 VanDerWaalsContact ND1-OD2 3.09Å; H130-V155 PolarHBondContact CE1-O 3.09Å; H130-V155 VanDerWaalsContact CE1-O 3.3Å
131C97.7Very high97.5Very high96 Ų9643.5 Ų43.565%0.64923%0.228SC*.SBendtrans-106.50.3177.269.60000113.5D153C131-D153 PolarHBondContact N-OD2 2.9Å; C131-D153 WeakPolarHBondContact SG-CB 3.3Å
132K98.4Very high97.5Very high112 Ų11240.2 Ų40.249%0.48721%0.207SC..SBendtrans-139.1170.5173-67.6179.2-176.5169.70109.5C104 V134 S152 D153C104-K132 WeakPolarHBondContact SG-CA 3.36Å; K132-V134 PolarHBondContact O-N 3.47Å; K132-S152 WeakPolarHBondContact CD-O 3.35Å; K132-D153 HydrophobicContact CB-CB 4.11Å; K132-D153 HydrophobicContact CD-CB 4.22Å; K132-D153 HydrophobicContact CG-CB 4.23Å
133R97.9Very high97.5Very high98 Ų9833.2 Ų33.237%0.3718%0.175SC..  trans-42.8134.6178.669.6-177.168.9-151.6-9112.8W35 L85 S101 E102 G151 S152W35-R133 HydrophobicContact CH2-CG 4.38Å; L85-R133 HydrophobicContact CD1-CB 3.74Å; L85-R133 HydrophobicContact CD1-CG 3.96Å; S101-R133 WeakPolarHBondContact O-CA 3.47Å; E102-R133 HydrophobicContact CB-CB 4.3Å; E102-R133 HydrophobicContact CG-CB 4.14Å; E102-R133 IonicContact OE1-CZ 3.75Å; E102-R133 IonicContact OE1-NH1 3.81Å; E102-R133 PolarHBondContact OE1-NH1 2.98Å; E102-R133 IonicContact OE1-NH2 3.73Å; E102-R133 PolarHBondContact OE1-NH2 2.88Å; R133-G151 CarbonylContact O-C 3.56Å; R133-G151 WeakPolarHBondContact O-CA 3.48Å; R133-S152 WeakPolarHBondContact CD-OG 3.32Å; R133-S152 WeakPolarHBondContact CG-OG 3.33Å; R133-S152 PolarHBondContact O-N 2.94Å
134V98.6Very high97.5Very high0 Ų032.3 Ų32.30%017%0.168CC..EExtended strand (participates in β ladder)trans-101.7121.4176.1-1740000108.4G100 S101 V106 H130 K132 L137G100-V134 CarbonylContact C-O 3.55Å; S101-V134 PolarHBondContact N-O 3.07Å; S101-V134 PolarHBondContact O-N 2.85Å; V106-V134 HydrophobicContact CG2-CB 4.22Å; V106-V134 HydrophobicContact CG2-CG1 3.66Å; V106-V134 HydrophobicContact CG2-CG2 4.27Å; H130-V134 HydrophobicContact CB-CG2 3.63Å; H130-V134 VanDerWaalsContact CD2-CG2 3.43Å; H130-V134 WeakPolarHBondContact CD2-CG2 3.35Å; K132-V134 PolarHBondContact O-N 3.47Å; V134-L137 HydrophobicContact CG1-CD2 4.43Å
135G97.8Very high97.5Very high3 Ų330.7 Ų30.73%0.03116%0.158CC..EExtended strand (participates in β ladder)trans-138.312.7-172.300000115.1W35 A150W35-G135 PolarHBondContact NE1-O 3.22Å; G135-A150 PolarHBondContact N-O 3.21Å
136I98.6Very high97.5Very high19 Ų1930.6 Ų30.610%0.09716%0.157CC..EExtended strand (participates in β ladder)trans-137.2122.5173-58.5169.8000107.1D86 S149 A150 I178 A181D86-I136 WeakPolarHBondContact OD2-CA 3.47Å; I136-S149 WeakPolarHBondContact O-CA 3.48Å; I136-A150 HydrophobicContact CB-CB 4.06Å; I136-A150 HydrophobicContact CD1-CB 4.21Å; I136-A150 HydrophobicContact CG2-CB 4.48Å; I136-A150 PolarHBondContact N-O 3.4Å; I136-A150 PolarHBondContact O-N 3.47Å; I136-I178 HydrophobicContact CD1-CB 4.36Å; I136-I178 HydrophobicContact CD1-CG2 3.86Å; I136-I178 WeakPolarHBondContact CD1-O 3.44Å; I136-A181 HydrophobicContact CG2-CB 4.05Å
137L98.7Very high97.6Very high10 Ų1026.1 Ų26.15%0.05214%0.138CC..EExtended strand (participates in β ladder)trans-119.9144.1169.8-64.5177.2000109.9D86 E88 A98 V106 V134 L147 L148D86-L137 HydrophobicContact CB-CG 4.43Å; D86-L137 PolarHBondContact OD2-N 2.68Å; E88-L137 HydrophobicContact CB-CB 4.43Å; A98-L137 HydrophobicContact CB-CD1 3.85Å; V106-L137 HydrophobicContact CG1-CD2 3.8Å; V106-L137 HydrophobicContact CG2-CD2 3.91Å; V134-L137 HydrophobicContact CG1-CD2 4.43Å; L137-L147 HydrophobicContact CD2-CD2 4.44Å; L137-L148 WeakPolarHBondContact CA-O 3.31Å
138S98.4Very high97.6Very high14 Ų1426 Ų2610%0.09814%0.137CC..EExtended strand (participates in β ladder)trans-150.6106.2170.9-163.10000111E88 L148 W183E88-S138 WeakPolarHBondContact OE2-CA 3.23Å; E88-S138 PolarHBondContact OE2-N 3.12Å; S138-L148 PolarHBondContact N-O 2.91Å; S138-L148 VanDerWaalsContact O-CB 3.28Å; S138-L148 WeakPolarHBondContact O-CB 3.2Å; S138-L148 PolarHBondContact O-N 3.41Å; S138-W183 PolarHBondContact O-NE1 3.47Å; S138-W183 VanDerWaalsContact OG-CD1 3.29Å
139W98.6Very high97.8Very high8 Ų821.5 Ų21.53%0.0312%0.116CC..EExtended strand (participates in β ladder)trans-62.3142.1171.3-73.599.6000111.2E88 C90 P91 I96 A98 I108 L147 V161 W183E88-W139 PolarHBondContact O-NE1 3.04Å; E88-W139 PolarHBondContact OE2-N 2.72Å; C90-W139 HydrophobicContact CB-CD2 4.15Å; C90-W139 HydrophobicContact CB-CZ2 4.1Å; P91-W139 HydrophobicContact CG-CB 3.99Å; I96-W139 HydrophobicContact CG2-CH2 4.15Å; I96-W139 HydrophobicContact CG2-CZ2 3.99Å; A98-W139 HydrophobicContact CB-CZ2 3.76Å; I108-W139 HydrophobicContact CD1-CH2 4.1Å; I108-W139 HydrophobicContact CD1-CZ2 4.04Å; I108-W139 HydrophobicContact CG2-CH2 4.43Å; W139-L147 HydrophobicContact CD2-CB 4.47Å; W139-L147 HydrophobicContact CD2-CD1 3.8Å; W139-L147 HydrophobicContact CE3-CB 4.02Å; W139-L147 HydrophobicContact CE3-CD1 4.21Å; W139-L147 HydrophobicContact CG-CD1 3.94Å; W139-L147 HydrophobicContact CZ2-CD2 4.5Å; W139-L147 HydrophobicContact CZ3-CB 4.07Å; W139-V161 HydrophobicContact CH2-CB 4.46Å; W139-V161 HydrophobicContact CH2-CG1 4.27Å; W139-V161 HydrophobicContact CH2-CG2 3.98Å; W139-V161 HydrophobicContact CZ3-CB 4.42Å; W139-V161 HydrophobicContact CZ3-CG2 3.86Å; W139-W183 VanDerWaalsContact O-CD1 3.23Å
140H98.3Very high97.8Very high0 Ų020.4 Ų20.40%011%0.105CC..  trans-66.6135.4175.9-165.5-83.9000110.6H92 T142 A143 V146 W183 G187 W378H92-H140 PolarHBondContact CE1-O 2.95Å; H140-T142 PolarHBondContact CE1-OG1 2.9Å; H140-T142 PolarHBondContact ND1-N 2.7Å; H140-T142 PolarHBondContact ND1-OG1 3.23Å; H140-T142 PolarHBondContact O-N 3.44Å; H140-A143 HydrophobicContact CB-CB 4.22Å; H140-A143 WeakPolarHBondContact ND1-CB 3.27Å; H140-A143 PolarHBondContact ND1-N 2.92Å; H140-V146 HydrophobicContact CB-CB 3.64Å; H140-V146 HydrophobicContact CB-CG1 3.87Å; H140-V146 WeakPolarHBondContact CB-O 3.27Å; H140-V146 PolarHBondContact N-O 3.01Å; H140-W183 AromaticContact CD2-CD2 3.9Å; H140-W183 AromaticContact CD2-CE2 3.82Å; H140-W183 AromaticContact CD2-CE3 3.8Å; H140-W183 AromaticContact CD2-CH2 3.59Å; H140-W183 AromaticContact CD2-CZ2 3.69Å; H140-W183 AromaticContact CD2-CZ3 3.62Å; H140-W183 AromaticContact NE2-CZ3 3.89Å; H140-G187 WeakPolarHBondContact NE2-CA 3.47Å; H140-G187 PolarHBondContact NE2-O 2.93Å; H140-W378 AromaticContact CD2-CE2 3.89Å; H140-W378 AromaticContact CD2-CZ2 3.83Å; H140-W378 AromaticContact CE1-CD1 3.82Å; H140-W378 AromaticContact CE1-CE2 3.89Å; H140-W378 AromaticContact CE1-NE1 3.45Å; H140-W378 PolarHBondContact CE1-NE1 2.94Å; H140-W378 AromaticContact NE2-CD1 3.84Å; H140-W378 AromaticContact NE2-CD2 3.89Å; H140-W378 AromaticContact NE2-CE2 3.14Å; H140-W378 AromaticContact NE2-CZ2 3.34Å; H140-W378 VanDerWaalsContact NE2-CZ2 3.34Å; H140-W378 WeakPolarHBondContact NE2-CZ2 3.41Å; H140-W378 AromaticContact NE2-NE1 3.08Å; H140-W378 PolarHBondContact NE2-NE1 3.23Å
141P96.1Very high97.8Very high26 Ų2619.9 Ų19.917%0.16910%0.104CC..SBendtrans-71.9-29.6-173.226.2-34.8000113.5H92 W183 N184H92-P141 PolarHBondContact NE2-O 2.86Å; P141-W183 HydrophobicContact CG-CB 4.04Å; P141-N184 WeakPolarHBondContact CG-O 3.17Å
142T96.4Very high97.8Very high1 Ų116.3 Ų16.31%0.0068%0.08CC..SBendtrans-120.8-10.7-171.861.70000114.8H140 D186 P371 S372 V373 P386H140-T142 PolarHBondContact CE1-OG1 2.9Å; H140-T142 PolarHBondContact ND1-N 2.7Å; H140-T142 PolarHBondContact ND1-OG1 3.23Å; H140-T142 PolarHBondContact O-N 3.44Å; T142-D186 WeakPolarHBondContact CG2-O 3.25Å; T142-D186 PolarHBondContact OG1-O 2.88Å; T142-P371 CarbonylContact O-C 3.59Å; T142-S372 PolarHBondContact O-N 2.93Å; T142-V373 PolarHBondContact O-N 2.79Å; T142-P386 HydrophobicContact CG2-CB 3.92Å; T142-P386 HydrophobicContact CG2-CG 4.38Å
143A96.8Very high97.8Very high1 Ų112 Ų121%0.0086%0.062CC..EExtended strand (participates in β ladder)trans-114.9123.2-170.500000108.8H92 H140 V146 V373 W378H92-A143 PolarHBondContact CE1-O 2.85Å; H140-A143 HydrophobicContact CB-CB 4.22Å; H140-A143 WeakPolarHBondContact ND1-CB 3.27Å; H140-A143 PolarHBondContact ND1-N 2.92Å; A143-V146 HydrophobicContact CB-CB 4.2Å; A143-V146 HydrophobicContact CB-CG2 3.79Å; A143-V373 CarbonylContact C-O 3.55Å; A143-V373 VanDerWaalsContact CA-O 3.32Å; A143-V373 WeakPolarHBondContact CA-O 3.48Å; A143-V373 HydrophobicContact CB-CG2 3.76Å; A143-W378 HydrophobicContact CB-CB 3.91Å; A143-W378 HydrophobicContact CB-CD2 4.48Å; A143-W378 HydrophobicContact CB-CG 3.92Å
144H95Very high97.8Very high11 Ų118.7 Ų8.75%0.0515%0.052CC..EExtended strand (participates in β ladder)trans-65.5136.3-178.5-167.8-139.4000110.6V146 P371 V373 D374 A375H144-V146 PolarHBondContact O-N 3.14Å; H144-P371 HydrophobicContact CB-CB 3.69Å; H144-P371 HydrophobicContact CB-CG 3.66Å; H144-V373 PolarHBondContact N-O 3.2Å; H144-D374 WeakPolarHBondContact CB-OD1 3.42Å; H144-D374 IonicContact CG-OD1 3.93Å; H144-D374 IonicContact ND1-OD1 3.85Å; H144-D374 PolarHBondContact ND1-OD1 2.85Å; H144-A375 WeakPolarHBondContact O-CB 3.44Å; H144-A375 PolarHBondContact O-N 2.93Å
145N95.7Very high97.8Very high12 Ų129.1 Ų9.16%0.0645%0.054CC..THydrogen-bonded Turntrans62.116175.7-59.3-38.9000116.1V161 A162 F404N145-V161 HydrophobicContact CB-CB 4.27Å; N145-V161 WeakPolarHBondContact O-CB 3.47Å; N145-V161 WeakPolarHBondContact O-CG2 3.46Å; N145-V161 PolarHBondContact O-N 2.86Å; N145-A162 HydrophobicContact CB-CB 4.17Å; N145-F404 WeakPolarHBondContact OD1-CD2 3.42Å; N145-F404 WeakPolarHBondContact OD1-CE2 3.35Å
146V98.3Very high97.9Very high0 Ų09 Ų90%05%0.053CC..EExtended strand (participates in β ladder)trans-94.6121.9171.3-179.10000109.2H140 A143 H144 W159 A375 W378 F379H140-V146 HydrophobicContact CB-CB 3.64Å; H140-V146 HydrophobicContact CB-CG1 3.87Å; H140-V146 WeakPolarHBondContact CB-O 3.27Å; H140-V146 PolarHBondContact N-O 3.01Å; A143-V146 HydrophobicContact CB-CB 4.2Å; A143-V146 HydrophobicContact CB-CG2 3.79Å; H144-V146 PolarHBondContact O-N 3.14Å; V146-W159 WeakPolarHBondContact CA-O 3.36Å; V146-A375 HydrophobicContact CG2-CB 3.63Å; V146-W378 HydrophobicContact CG1-CE3 4.24Å; V146-W378 HydrophobicContact CG1-CZ3 4.05Å; V146-W378 HydrophobicContact CG2-CE3 4.23Å; V146-F379 HydrophobicContact CG1-CE2 4.48Å; V146-F379 HydrophobicContact CG1-CZ 4.09Å; V146-F379 HydrophobicContact CG2-CE2 3.89Å; V146-F379 HydrophobicContact CG2-CZ 4.31Å
147L98.7Very high97.9Very high0 Ų08.1 Ų8.10%05%0.048CC..EExtended strand (participates in β ladder)trans-123.7135.1177.9176.863.8000109.9A98 V106 I108 L127 L137 W139 L158 W159 V161A98-L147 HydrophobicContact CB-CD1 4.45Å; A98-L147 HydrophobicContact CB-CD2 3.9Å; V106-L147 HydrophobicContact CG1-CD2 3.85Å; I108-L147 HydrophobicContact CD1-CD2 3.68Å; L127-L147 HydrophobicContact CD1-CD2 4.21Å; L137-L147 HydrophobicContact CD2-CD2 4.44Å; W139-L147 HydrophobicContact CD2-CB 4.47Å; W139-L147 HydrophobicContact CD2-CD1 3.8Å; W139-L147 HydrophobicContact CE3-CB 4.02Å; W139-L147 HydrophobicContact CE3-CD1 4.21Å; W139-L147 HydrophobicContact CG-CD1 3.94Å; W139-L147 HydrophobicContact CZ2-CD2 4.5Å; W139-L147 HydrophobicContact CZ3-CB 4.07Å; L147-L158 WeakPolarHBondContact O-CA 3.37Å; L147-W159 HydrophobicContact CB-CB 4.45Å; L147-W159 PolarHBondContact N-O 2.76Å; L147-W159 PolarHBondContact O-N 3.17Å; L147-V161 HydrophobicContact CB-CG2 3.64Å; L147-V161 HydrophobicContact CD2-CG2 4.3Å
148L98.8Very high97.9Very high0 Ų07.6 Ų7.60%05%0.046CC..EExtended strand (participates in β ladder)trans-94.4135167-177.5156000109.4L137 S138 I156 I157 L158 A181 W183 I190L137-L148 WeakPolarHBondContact CA-O 3.31Å; S138-L148 PolarHBondContact N-O 2.91Å; S138-L148 VanDerWaalsContact O-CB 3.28Å; S138-L148 WeakPolarHBondContact O-CB 3.2Å; S138-L148 PolarHBondContact O-N 3.41Å; L148-I156 HydrophobicContact CD1-CG2 3.89Å; L148-I156 HydrophobicContact CD2-CG2 4.12Å; L148-I156 HydrophobicContact CG-CG2 3.73Å; L148-I157 WeakPolarHBondContact CA-O 3.46Å; L148-L158 HydrophobicContact CB-CD2 3.84Å; L148-L158 HydrophobicContact CD1-CD2 3.95Å; L148-L158 HydrophobicContact CG-CD2 3.86Å; L148-A181 HydrophobicContact CD1-CB 4.49Å; L148-A181 HydrophobicContact CD2-CB 3.9Å; L148-W183 HydrophobicContact CB-CZ2 4.05Å; L148-W183 HydrophobicContact CD1-CZ2 4.11Å; L148-I190 HydrophobicContact CD1-CD1 3.43Å; L148-I190 VanDerWaalsContact CD1-CD1 3.43Å; L148-I190 HydrophobicContact CD1-CG1 3.8Å; L148-I190 HydrophobicContact CD1-CG2 3.88Å
149S98.8Very high97.9Very high0 Ų07.1 Ų7.10%04%0.042CC..EExtended strand (participates in β ladder)trans-125.2146.7162.265.50000111.3H130 I136 I156 I157 W159H130-S149 PolarHBondContact CD2-OG 3.42Å; H130-S149 PolarHBondContact NE2-OG 2.99Å; I136-S149 WeakPolarHBondContact O-CA 3.48Å; S149-I156 WeakPolarHBondContact O-CA 3.43Å; S149-I157 PolarHBondContact N-O 3.3Å; S149-I157 PolarHBondContact O-N 2.89Å; S149-W159 PolarHBondContact OG-NE1 3.37Å
150A98.7Very high97.8Very high2 Ų27 Ų72%0.0174%0.041CC..EExtended strand (participates in β ladder)trans-130.8133169.100000111.5G135 I136 V155 I156 I178G135-A150 PolarHBondContact N-O 3.21Å; I136-A150 HydrophobicContact CB-CB 4.06Å; I136-A150 HydrophobicContact CD1-CB 4.21Å; I136-A150 HydrophobicContact CG2-CB 4.48Å; I136-A150 PolarHBondContact N-O 3.4Å; I136-A150 PolarHBondContact O-N 3.47Å; A150-V155 WeakPolarHBondContact CA-O 3.48Å; A150-I156 HydrophobicContact CB-CG1 4.03Å; A150-I178 HydrophobicContact CB-CD1 4.11Å; A150-I178 HydrophobicContact CB-CG2 4.43Å
151G97.8Very high97.7Very high5 Ų57 Ų75%0.0524%0.041CC..EExtended strand (participates in β ladder)trans-107.1167.7-175.700000113.3H130 R133 D153 N154 V155H130-G151 PolarHBondContact CE1-N 3.45Å; R133-G151 CarbonylContact O-C 3.56Å; R133-G151 WeakPolarHBondContact O-CA 3.48Å; G151-D153 VanDerWaalsContact C-OD1 3.3Å; G151-D153 VanDerWaalsContact CA-OD1 3.26Å; G151-D153 WeakPolarHBondContact CA-OD1 3.36Å; G151-D153 PolarHBondContact O-N 3.34Å; G151-N154 PolarHBondContact O-N 2.86Å; G151-V155 PolarHBondContact N-O 3.07Å
152S97.9Very high97.5Very high20 Ų206.1 Ų6.114%0.144%0.037CC..THydrogen-bonded Turntrans-74.74170.4-58.30000113.3K132 R133K132-S152 WeakPolarHBondContact CD-O 3.35Å; R133-S152 WeakPolarHBondContact CD-OG 3.32Å; R133-S152 WeakPolarHBondContact CG-OG 3.33Å; R133-S152 PolarHBondContact O-N 2.94Å
153D98.3Very high97.3Very high21 Ų219.8 Ų9.811%0.1125%0.05CC..THydrogen-bonded Turntrans-80.30.5163.154.26.3000112.3H130 C131 K132 G151 V155H130-D153 WeakPolarHBondContact CA-OD2 3.36Å; H130-D153 WeakPolarHBondContact CB-OD2 3.17Å; H130-D153 IonicContact CE1-OD1 3.93Å; H130-D153 IonicContact CG-OD2 2.88Å; H130-D153 IonicContact ND1-OD1 3.8Å; H130-D153 PolarHBondContact ND1-OD1 2.95Å; H130-D153 IonicContact ND1-OD2 3.77Å; H130-D153 PolarHBondContact ND1-OD2 3.08Å; H130-D153 VanDerWaalsContact ND1-OD2 3.09Å; C131-D153 PolarHBondContact N-OD2 2.9Å; C131-D153 WeakPolarHBondContact SG-CB 3.3Å; K132-D153 HydrophobicContact CB-CB 4.11Å; K132-D153 HydrophobicContact CD-CB 4.22Å; K132-D153 HydrophobicContact CG-CB 4.23Å; G151-D153 VanDerWaalsContact C-OD1 3.3Å; G151-D153 VanDerWaalsContact CA-OD1 3.26Å; G151-D153 WeakPolarHBondContact CA-OD1 3.36Å; G151-D153 PolarHBondContact O-N 3.34Å; D153-V155 HydrophobicContact CB-CG2 4.3Å; D153-V155 PolarHBondContact O-N 2.86Å; D153-V155 PolarHBondContact OD1-N 3.41Å
154N98.4Very high97.1Very high30 Ų3010.2 Ų10.216%0.166%0.055CC..SBendtrans63.921.3-179.5-45.6-27.3000112.8G151 H174 D176 L177G151-N154 PolarHBondContact O-N 2.86Å; N154-H174 HydrophobicContact CB-CB 4.32Å; N154-H174 WeakPolarHBondContact CB-O 3.4Å; N154-D176 VanDerWaalsContact CG-O 3.3Å; N154-D176 WeakPolarHBondContact ND2-CA 3.37Å; N154-D176 VanDerWaalsContact OD1-C 3.31Å; N154-D176 PolarHBondContact OD1-O 3.48Å; N154-L177 VanDerWaalsContact OD1-CA 3.27Å; N154-L177 WeakPolarHBondContact OD1-CA 3.28Å; N154-L177 PolarHBondContact OD1-N 3.39Å
155V98.4Very high97.1Very high9 Ų913.2 Ų13.26%0.0557%0.069CC..  trans-99.1142.9176.7-1770000109.1H130 A150 G151 D153 I157 R169 I170 D171H130-V155 PolarHBondContact CE1-O 3.09Å; H130-V155 VanDerWaalsContact CE1-O 3.3Å; A150-V155 WeakPolarHBondContact CA-O 3.48Å; G151-V155 PolarHBondContact N-O 3.07Å; D153-V155 HydrophobicContact CB-CG2 4.3Å; D153-V155 PolarHBondContact O-N 2.86Å; D153-V155 PolarHBondContact OD1-N 3.41Å; V155-I157 HydrophobicContact CG1-CD1 4.44Å; V155-I157 HydrophobicContact CG1-CG1 3.82Å; V155-R169 HydrophobicContact CG1-CG 3.82Å; V155-I170 WeakPolarHBondContact CA-O 3.1Å; V155-D171 HydrophobicContact CB-CB 4.48Å; V155-D171 HydrophobicContact CG1-CB 4.1Å; V155-D171 HydrophobicContact CG2-CB 3.75Å
156I98.8Very high97.2Very high0 Ų016 Ų160%08%0.082CC..EExtended strand (participates in β ladder)trans-106.9131.1163.7-56.8176.5000107.9L148 S149 A150 L158 I170 I178 T192 L202L148-I156 HydrophobicContact CD1-CG2 3.89Å; L148-I156 HydrophobicContact CD2-CG2 4.12Å; L148-I156 HydrophobicContact CG-CG2 3.73Å; S149-I156 WeakPolarHBondContact O-CA 3.43Å; A150-I156 HydrophobicContact CB-CG1 4.03Å; I156-L158 HydrophobicContact CG2-CD2 4.41Å; I156-I170 HydrophobicContact CB-CB 4.19Å; I156-I170 HydrophobicContact CB-CD1 4.5Å; I156-I170 PolarHBondContact N-O 3.16Å; I156-I170 PolarHBondContact O-N 2.88Å; I156-I178 HydrophobicContact CD1-CD1 4.07Å; I156-I178 HydrophobicContact CG1-CD1 3.58Å; I156-T192 HydrophobicContact CD1-CG2 3.58Å; I156-L202 HydrophobicContact CD1-CD1 4.31Å
157I98.8Very high97.1Very high0 Ų018.8 Ų18.80%010%0.099CC..EExtended strand (participates in β ladder)trans-119.3133.7175.5-55.7178.1000109.1L148 S149 V155 W159 E166 V168L148-I157 WeakPolarHBondContact CA-O 3.46Å; S149-I157 PolarHBondContact N-O 3.3Å; S149-I157 PolarHBondContact O-N 2.89Å; V155-I157 HydrophobicContact CG1-CD1 4.44Å; V155-I157 HydrophobicContact CG1-CG1 3.82Å; I157-W159 HydrophobicContact CB-CZ2 3.9Å; I157-W159 HydrophobicContact CD1-CH2 4.19Å; I157-W159 HydrophobicContact CD1-CZ2 3.72Å; I157-W159 HydrophobicContact CG1-CZ2 4.4Å; I157-W159 HydrophobicContact CG2-CD2 3.75Å; I157-W159 HydrophobicContact CG2-CE3 4.24Å; I157-W159 HydrophobicContact CG2-CG 4.27Å; I157-W159 HydrophobicContact CG2-CH2 4.01Å; I157-W159 HydrophobicContact CG2-CZ2 3.49Å; I157-W159 VanDerWaalsContact CG2-CZ2 3.49Å; I157-W159 HydrophobicContact CG2-CZ3 4.36Å; I157-E166 HydrophobicContact CG2-CB 4.05Å; I157-E166 HydrophobicContact CG2-CG 3.63Å; I157-V168 WeakPolarHBondContact CA-O 3.23Å
158L98.7Very high97.1Very high0 Ų019.8 Ų19.80%011%0.105CC..EExtended strand (participates in β ladder)trans-104.4121.1169.7-53.3-174.6000109.5L147 L148 I156 V167 V168 W183 I190 P204 W378 F379L147-L158 WeakPolarHBondContact O-CA 3.37Å; L148-L158 HydrophobicContact CB-CD2 3.84Å; L148-L158 HydrophobicContact CD1-CD2 3.95Å; L148-L158 HydrophobicContact CG-CD2 3.86Å; I156-L158 HydrophobicContact CG2-CD2 4.41Å; L158-V167 PolarHBondContact O-N 2.65Å; L158-V168 HydrophobicContact CB-CB 4.08Å; L158-V168 HydrophobicContact CD1-CB 4.1Å; L158-V168 HydrophobicContact CD1-CG2 4.39Å; L158-V168 HydrophobicContact CG-CB 4.2Å; L158-V168 PolarHBondContact N-O 2.8Å; L158-V168 PolarHBondContact O-N 3.16Å; L158-W183 HydrophobicContact CD1-CH2 4.15Å; L158-W183 HydrophobicContact CD2-CH2 4.05Å; L158-W183 HydrophobicContact CD2-CZ2 3.83Å; L158-I190 HydrophobicContact CD2-CD1 4.08Å; L158-P204 HydrophobicContact CD1-CB 3.83Å; L158-P204 WeakPolarHBondContact CD1-O 3.46Å; L158-W378 HydrophobicContact CD1-CH2 4Å; L158-W378 HydrophobicContact CD1-CZ3 4.23Å; L158-F379 HydrophobicContact CB-CE1 4.07Å; L158-F379 HydrophobicContact CB-CZ 4.18Å; L158-F379 HydrophobicContact CD1-CE1 4.47Å
159W98.6Very high97.1Very high4 Ų424.3 Ų24.32%0.01512%0.122CC..EExtended strand (participates in β ladder)trans-103.6141.6-174.5-55.893.8000111.4L127 V146 L147 S149 I157 V161 E165 E166L127-W159 HydrophobicContact CB-CD2 4.02Å; L127-W159 HydrophobicContact CB-CE3 3.91Å; L127-W159 HydrophobicContact CB-CH2 4.03Å; L127-W159 HydrophobicContact CB-CZ2 4.12Å; L127-W159 HydrophobicContact CB-CZ3 3.92Å; L127-W159 HydrophobicContact CD1-CB 4.03Å; L127-W159 HydrophobicContact CD1-CD2 3.87Å; L127-W159 HydrophobicContact CD1-CE3 4.29Å; L127-W159 HydrophobicContact CD1-CG 3.74Å; L127-W159 HydrophobicContact CD2-CD2 4.22Å; L127-W159 HydrophobicContact CD2-CE3 3.8Å; L127-W159 HydrophobicContact CD2-CZ3 4.35Å; L127-W159 HydrophobicContact CG-CD2 4.25Å; L127-W159 HydrophobicContact CG-CE3 4.21Å; V146-W159 WeakPolarHBondContact CA-O 3.36Å; L147-W159 HydrophobicContact CB-CB 4.45Å; L147-W159 PolarHBondContact N-O 2.76Å; L147-W159 PolarHBondContact O-N 3.17Å; S149-W159 PolarHBondContact OG-NE1 3.37Å; I157-W159 HydrophobicContact CB-CZ2 3.9Å; I157-W159 HydrophobicContact CD1-CH2 4.19Å; I157-W159 HydrophobicContact CD1-CZ2 3.72Å; I157-W159 HydrophobicContact CG1-CZ2 4.4Å; I157-W159 HydrophobicContact CG2-CD2 3.75Å; I157-W159 HydrophobicContact CG2-CE3 4.24Å; I157-W159 HydrophobicContact CG2-CG 4.27Å; I157-W159 HydrophobicContact CG2-CH2 4.01Å; I157-W159 HydrophobicContact CG2-CZ2 3.49Å; I157-W159 VanDerWaalsContact CG2-CZ2 3.49Å; I157-W159 HydrophobicContact CG2-CZ3 4.36Å; W159-V161 HydrophobicContact CB-CG2 4.33Å; W159-E165 WeakPolarHBondContact CA-O 3.43Å; W159-E166 HydrophobicContact CE3-CB 4.06Å; W159-E166 HydrophobicContact CH2-CB 4.28Å; W159-E166 HydrophobicContact CZ3-CB 3.72Å
160N97.4Very high97Very high4 Ų424.5 Ų24.52%0.02112%0.123CC..EExtended strand (participates in β ladder)trans-92.698.8154.4-177-21.5000107.9A162 R163 G164 E165 V167 A375 D376 F379N160-A162 VanDerWaalsContact C-N 3.29Å; N160-A162 PolarHBondContact O-N 2.78Å; N160-A162 PolarHBondContact OD1-N 2.95Å; N160-R163 PolarHBondContact O-N 2.96Å; N160-G164 PolarHBondContact O-N 3.05Å; N160-E165 PolarHBondContact N-O 3.33Å; N160-E165 PolarHBondContact O-N 3.21Å; N160-V167 HydrophobicContact CB-CG2 3.63Å; N160-A375 HydrophobicContact CB-CB 4.46Å; N160-D376 PolarHBondContact ND2-OD1 3.41Å; N160-F379 HydrophobicContact CB-CE2 4.22Å
161V95.7Very high97Very high0 Ų028.9 Ų28.90%015%0.146CC..THydrogen-bonded Turntrans-64-33.6-173.4174.80000112.2I108 V125 L127 W139 N145 L147 W159 R163 G164 F404I108-V161 HydrophobicContact CB-CG1 4.36Å; I108-V161 HydrophobicContact CD1-CG1 4.27Å; I108-V161 HydrophobicContact CD1-CG2 4.46Å; I108-V161 HydrophobicContact CG1-CG1 3.71Å; I108-V161 HydrophobicContact CG2-CG1 4.15Å; V125-V161 HydrophobicContact CG2-CG1 4.3Å; L127-V161 HydrophobicContact CD1-CG2 4.35Å; W139-V161 HydrophobicContact CH2-CB 4.46Å; W139-V161 HydrophobicContact CH2-CG1 4.27Å; W139-V161 HydrophobicContact CH2-CG2 3.98Å; W139-V161 HydrophobicContact CZ3-CB 4.42Å; W139-V161 HydrophobicContact CZ3-CG2 3.86Å; N145-V161 HydrophobicContact CB-CB 4.27Å; N145-V161 WeakPolarHBondContact O-CB 3.47Å; N145-V161 WeakPolarHBondContact O-CG2 3.46Å; N145-V161 PolarHBondContact O-N 2.86Å; L147-V161 HydrophobicContact CB-CG2 3.64Å; L147-V161 HydrophobicContact CD2-CG2 4.3Å; W159-V161 HydrophobicContact CB-CG2 4.33Å; V161-R163 PolarHBondContact O-N 2.85Å; V161-G164 PolarHBondContact O-N 2.87Å; V161-F404 HydrophobicContact CG1-CE2 3.82Å; V161-F404 HydrophobicContact CG1-CZ 3.58Å
162A92Very high96.8Very high9 Ų933.7 Ų33.77%0.07418%0.179CC..THydrogen-bonded Turntrans-65.2-26.418000000113N145 N160 V406 H407N145-A162 HydrophobicContact CB-CB 4.17Å; N160-A162 VanDerWaalsContact C-N 3.29Å; N160-A162 PolarHBondContact O-N 2.78Å; N160-A162 PolarHBondContact OD1-N 2.95Å; A162-V406 WeakPolarHBondContact O-CA 3.36Å; A162-H407 PolarHBondContact O-N 3Å
163R91.8Very high96.7Very high77 Ų7733.6 Ų33.629%0.29118%0.178SC..THydrogen-bonded Turntrans-102.9-14.5178.1-58.7-173.9178.6-176.32.5113.3N160 V161 E165 D376 L410N160-R163 PolarHBondContact O-N 2.96Å; V161-R163 PolarHBondContact O-N 2.85Å; R163-E165 VanDerWaalsContact C-N 3.26Å; R163-E165 HydrophobicContact CB-CB 4.15Å; R163-E165 HydrophobicContact CB-CG 3.7Å; R163-E165 WeakPolarHBondContact CD-OE2 3.28Å; R163-E165 IonicContact NH1-OE2 2.66Å; R163-D376 IonicContact CZ-OD1 2.7Å; R163-D376 IonicContact CZ-OD2 2.88Å; R163-D376 IonicContact NE-OD1 3.11Å; R163-D376 IonicContact NE-OD2 3.15Å; R163-D376 IonicContact NH1-OD1 2.95Å; R163-D376 VanDerWaalsContact NH2-CG 3.27Å; R163-D376 IonicContact NH2-OD1 2.65Å; R163-D376 PolarHBondContact NH2-OD1 2.9Å; R163-D376 IonicContact NH2-OD2 3.58Å; R163-D376 PolarHBondContact NH2-OD2 3.29Å; R163-L410 HydrophobicContact CB-CD1 4.25Å; R163-L410 HydrophobicContact CG-CD1 3.95Å
164G93.4Very high96.7Very high11 Ų1132.9 Ų32.911%0.11317%0.174CC..THydrogen-bonded Turntrans66.929-171.800000112.7N160 V161N160-G164 PolarHBondContact O-N 3.05Å; V161-G164 PolarHBondContact O-N 2.87Å
165E94.8Very high96.7Very high73 Ų7336 Ų3634%0.34120%0.196SC..EExtended strand (participates in β ladder)trans-105.4135.6-171.9-71.8172.7178.200111.3W159 N160 R163 V167W159-E165 WeakPolarHBondContact CA-O 3.43Å; N160-E165 PolarHBondContact N-O 3.33Å; N160-E165 PolarHBondContact O-N 3.21Å; R163-E165 VanDerWaalsContact C-N 3.26Å; R163-E165 HydrophobicContact CB-CB 4.15Å; R163-E165 HydrophobicContact CB-CG 3.7Å; R163-E165 WeakPolarHBondContact CD-OE2 3.28Å; R163-E165 IonicContact NH1-OE2 2.66Å; E165-V167 PolarHBondContact O-N 2.71Å
166E96.7Very high96.7Very high71 Ų7138.1 Ų38.133%0.33221%0.206SC..EExtended strand (participates in β ladder)trans-73.5112.4161.6166.4165.517700108I157 W159 R169I157-E166 HydrophobicContact CG2-CB 4.05Å; I157-E166 HydrophobicContact CG2-CG 3.63Å; W159-E166 HydrophobicContact CE3-CB 4.06Å; W159-E166 HydrophobicContact CH2-CB 4.28Å; W159-E166 HydrophobicContact CZ3-CB 3.72Å; E166-R169 WeakPolarHBondContact OE1-CB 3.47Å; E166-R169 WeakPolarHBondContact OE1-CD 3.36Å; E166-R169 WeakPolarHBondContact OE1-CG 3.29Å; E166-R169 IonicContact OE1-CZ 2.67Å; E166-R169 IonicContact OE1-NE 3.13Å; E166-R169 IonicContact OE1-NH1 2.66Å; E166-R169 PolarHBondContact OE1-NH1 2.79Å; E166-R169 IonicContact OE2-NH1 2.79Å; E166-R169 PolarHBondContact OE2-NH1 3.48Å
167V97.5Very high96.6Very high59 Ų5940.3 Ų40.336%0.35822%0.218SC..EExtended strand (participates in β ladder)trans-97.4-40.2-177.3-174.40000111.4L158 N160 E165 F379L158-V167 PolarHBondContact O-N 2.65Å; N160-V167 HydrophobicContact CB-CG2 3.63Å; E165-V167 PolarHBondContact O-N 2.71Å; V167-F379 HydrophobicContact CB-CD1 4.05Å; V167-F379 HydrophobicContact CB-CD2 4.28Å; V167-F379 HydrophobicContact CB-CE1 3.61Å; V167-F379 HydrophobicContact CB-CE2 3.91Å; V167-F379 HydrophobicContact CB-CG 4.38Å; V167-F379 HydrophobicContact CB-CZ 3.57Å; V167-F379 HydrophobicContact CG1-CB 4.25Å; V167-F379 HydrophobicContact CG1-CD1 3.41Å; V167-F379 VanDerWaalsContact CG1-CD1 3.41Å; V167-F379 HydrophobicContact CG1-CD2 3.85Å; V167-F379 HydrophobicContact CG1-CE1 3.54Å; V167-F379 HydrophobicContact CG1-CE2 4.01Å; V167-F379 HydrophobicContact CG1-CG 3.59Å; V167-F379 HydrophobicContact CG1-CZ 3.87Å; V167-F379 HydrophobicContact CG2-CD2 4.16Å; V167-F379 HydrophobicContact CG2-CE1 4.34Å; V167-F379 HydrophobicContact CG2-CE2 3.71Å; V167-F379 HydrophobicContact CG2-CZ 3.82Å
168V97.9Very high96.6Very high21 Ų2140.6 Ų40.613%0.12722%0.22CC..EExtended strand (participates in β ladder)trans-133.4132.1176.7-174.90000110I157 L158 I170 P204 F379I157-V168 WeakPolarHBondContact CA-O 3.23Å; L158-V168 HydrophobicContact CB-CB 4.08Å; L158-V168 HydrophobicContact CD1-CB 4.1Å; L158-V168 HydrophobicContact CD1-CG2 4.39Å; L158-V168 HydrophobicContact CG-CB 4.2Å; L158-V168 PolarHBondContact N-O 2.8Å; L158-V168 PolarHBondContact O-N 3.16Å; V168-I170 HydrophobicContact CG1-CG1 4.18Å; V168-P204 WeakPolarHBondContact CG1-O 3.28Å; V168-F379 HydrophobicContact CG2-CD1 4.13Å; V168-F379 HydrophobicContact CG2-CE1 3.93Å
169R98.2Very high96.6Very high95 Ų9542.2 Ų42.236%0.35823%0.226SC..EExtended strand (participates in β ladder)trans-112.7129.7172.9-162.7180-174.6801110.1G129 V155 E166 D171G129-R169 PolarHBondContact O-NH1 3.47Å; G129-R169 PolarHBondContact O-NH2 3.28Å; V155-R169 HydrophobicContact CG1-CG 3.82Å; E166-R169 WeakPolarHBondContact OE1-CB 3.47Å; E166-R169 WeakPolarHBondContact OE1-CD 3.36Å; E166-R169 WeakPolarHBondContact OE1-CG 3.29Å; E166-R169 IonicContact OE1-CZ 2.67Å; E166-R169 IonicContact OE1-NE 3.13Å; E166-R169 IonicContact OE1-NH1 2.66Å; E166-R169 PolarHBondContact OE1-NH1 2.79Å; E166-R169 IonicContact OE2-NH1 2.79Å; E166-R169 PolarHBondContact OE2-NH1 3.48Å; R169-D171 HydrophobicContact CG-CB 4.42Å; R169-D171 IonicContact NE-OD2 3.55Å
170I98.3Very high96.6Very high3 Ų342.9 Ų42.92%0.01523%0.231CC..EExtended strand (participates in β ladder)trans-12295.6174.5-50.1173.9000107.6V155 I156 V168 V173 L202V155-I170 WeakPolarHBondContact CA-O 3.1Å; I156-I170 HydrophobicContact CB-CB 4.19Å; I156-I170 HydrophobicContact CB-CD1 4.5Å; I156-I170 PolarHBondContact N-O 3.16Å; I156-I170 PolarHBondContact O-N 2.88Å; V168-I170 HydrophobicContact CG1-CG1 4.18Å; I170-V173 HydrophobicContact CG2-CB 3.82Å; I170-V173 HydrophobicContact CG2-CG2 3.41Å; I170-V173 VanDerWaalsContact CG2-CG2 3.41Å; I170-L202 HydrophobicContact CD1-CD1 4.47Å
171D96.8Very high96.6Very high94 Ų9443.1 Ų43.150%0.50323%0.234SC..  trans-117.1-11.7-173.659.73.8000114.3V155 R169V155-D171 HydrophobicContact CB-CB 4.48Å; V155-D171 HydrophobicContact CG1-CB 4.1Å; V155-D171 HydrophobicContact CG2-CB 3.75Å; R169-D171 HydrophobicContact CG-CB 4.42Å; R169-D171 IonicContact NE-OD2 3.55Å
172S93.8Very high96.7Very high107 Ų10744.2 Ų44.275%0.74824%0.241SC*.SBendtrans-101-5.5-177.569.80000114.5
173V97.2Very high97Very high18 Ų1844.8 Ų44.811%0.10924%0.241CC..SBendtrans-85.9-37.5-171.7174.30000112.4I170 L202 G207 V209I170-V173 HydrophobicContact CG2-CB 3.82Å; I170-V173 HydrophobicContact CG2-CG2 3.41Å; I170-V173 VanDerWaalsContact CG2-CG2 3.41Å; V173-L202 HydrophobicContact CG1-CD1 4.45Å; V173-L202 HydrophobicContact CG1-CD2 3.97Å; V173-G207 WeakPolarHBondContact CG2-O 3.3Å; V173-V209 HydrophobicContact CG1-CG2 3.73Å; V173-V209 HydrophobicContact CG2-CG2 4.41Å
174H98.4Very high97.2Very high6 Ų642.4 Ų42.43%0.02823%0.234CC..  trans-111.4109.9-171.9-59.694.4000111N154 D176 I178 T192N154-H174 HydrophobicContact CB-CB 4.32Å; N154-H174 WeakPolarHBondContact CB-O 3.4Å; H174-D176 VanDerWaalsContact C-N 3.34Å; H174-I178 HydrophobicContact CB-CD1 4.14Å; H174-I178 HydrophobicContact CB-CG1 3.85Å; H174-T192 WeakPolarHBondContact NE2-CB 3.49Å; H174-T192 PolarHBondContact NE2-OG1 3.34Å
175P97.9Very high97.2Very high96 Ų9647.9 Ų47.962%0.62325%0.252SS*.SBendtrans-80.6-13.2-178.232.4-36000113.8D196P175-D196 HydrophobicContact CG-CB 4.08Å
176D98Very high97.1Very high52 Ų5247.2 Ų47.228%0.27825%0.251SS..SBendtrans-142.5179.6179.2-157.2-15.8000109.6N154 H174 I178 C194 K195N154-D176 VanDerWaalsContact CG-O 3.3Å; N154-D176 WeakPolarHBondContact ND2-CA 3.37Å; N154-D176 VanDerWaalsContact OD1-C 3.31Å; N154-D176 PolarHBondContact OD1-O 3.48Å; H174-D176 VanDerWaalsContact C-N 3.34Å; D176-I178 PolarHBondContact O-N 3.1Å; D176-C194 PolarHBondContact O-SG 3.42Å; D176-K195 HydrophobicContact CB-CB 4.06Å; D176-K195 IonicContact OD1-NZ 3.81Å; D176-K195 PolarHBondContact OD1-NZ 2.8Å; D176-K195 VanDerWaalsContact OD1-NZ 3.12Å; D176-K195 WeakPolarHBondContact OD2-CD 3.36Å; D176-K195 WeakPolarHBondContact OD2-CE 3.44Å; D176-K195 WeakPolarHBondContact OD2-CG 3.43Å; D176-K195 IonicContact OD2-NZ 2.72Å; D176-K195 PolarHBondContact OD2-NZ 3.06Å
177L97.8Very high97Very high46 Ų4643.9 Ų43.924%0.24124%0.235CC..  trans-49.7127.3-172.2-174.263.8000112.7N154 Y179 C194 K195N154-L177 VanDerWaalsContact OD1-CA 3.27Å; N154-L177 WeakPolarHBondContact OD1-CA 3.28Å; N154-L177 PolarHBondContact OD1-N 3.39Å; L177-Y179 HydrophobicContact CD2-CD1 4.25Å; L177-Y179 HydrophobicContact CD2-CE1 3.97Å; L177-Y179 HydrophobicContact CG-CD1 4.43Å; L177-Y179 HydrophobicContact CG-CE1 4.45Å; L177-Y179 PolarHBondContact O-N 2.69Å; L177-C194 WeakPolarHBondContact O-CA 3.42Å; L177-K195 HydrophobicContact CB-CB 4.13Å; L177-K195 HydrophobicContact CB-CD 4.19Å; L177-K195 WeakPolarHBondContact O-CB 3.41Å; L177-K195 PolarHBondContact O-N 3.2Å
178I98.5Very high96.9Very high7 Ų741.4 Ų41.44%0.03622%0.22CC..EExtended strand (participates in β ladder)trans-77120.9170.2-58166.3000107.4I136 A150 I156 H174 D176I136-I178 HydrophobicContact CD1-CB 4.36Å; I136-I178 HydrophobicContact CD1-CG2 3.86Å; I136-I178 WeakPolarHBondContact CD1-O 3.44Å; A150-I178 HydrophobicContact CB-CD1 4.11Å; A150-I178 HydrophobicContact CB-CG2 4.43Å; I156-I178 HydrophobicContact CD1-CD1 4.07Å; I156-I178 HydrophobicContact CG1-CD1 3.58Å; H174-I178 HydrophobicContact CB-CD1 4.14Å; H174-I178 HydrophobicContact CB-CG1 3.85Å; D176-I178 PolarHBondContact O-N 3.1Å
179Y98.1Very high96.9Very high34 Ų3444 Ų4413%0.13323%0.228CC..EExtended strand (participates in β ladder)trans-85.2-45-179.8-77-37.5000111.5L177 S193 K195 P222 R224L177-Y179 HydrophobicContact CD2-CD1 4.25Å; L177-Y179 HydrophobicContact CD2-CE1 3.97Å; L177-Y179 HydrophobicContact CG-CD1 4.43Å; L177-Y179 HydrophobicContact CG-CE1 4.45Å; L177-Y179 PolarHBondContact O-N 2.69Å; Y179-S193 WeakPolarHBondContact CB-OG 3.33Å; Y179-S193 PolarHBondContact N-O 3.11Å; Y179-K195 HydrophobicContact CD2-CB 4.45Å; Y179-K195 HydrophobicContact CE1-CB 4.26Å; Y179-K195 HydrophobicContact CE2-CB 3.7Å; Y179-K195 HydrophobicContact CE2-CG 4.25Å; Y179-K195 WeakPolarHBondContact OH-CD 3.19Å; Y179-K195 VanDerWaalsContact OH-CG 3.27Å; Y179-K195 WeakPolarHBondContact OH-CG 3.46Å; Y179-P222 HydrophobicContact CD1-CB 3.9Å; Y179-P222 HydrophobicContact CD1-CG 4.24Å; Y179-P222 HydrophobicContact CD2-CB 4.05Å; Y179-P222 HydrophobicContact CE1-CB 3.91Å; Y179-P222 HydrophobicContact CE1-CG 3.82Å; Y179-P222 HydrophobicContact CE2-CB 4.04Å; Y179-P222 HydrophobicContact CE2-CG 4.45Å; Y179-P222 HydrophobicContact CG-CB 3.97Å; Y179-R224 PolarHBondContact O-NH1 2.68Å; Y179-R224 PolarHBondContact O-NH2 2.96Å
180S97.8Very high96.9Very high17 Ų1739.5 Ų39.512%0.11921%0.211CC..EExtended strand (participates in β ladder)trans-147151.7175.455.70000110.9T192 S193 A225S180-T192 CarbonylContact O-C 3.22Å; S180-T192 VanDerWaalsContact O-CA 3.25Å; S180-T192 WeakPolarHBondContact O-CA 3.4Å; S180-S193 PolarHBondContact N-OG 3.05Å; S180-S193 VanDerWaalsContact N-OG 3.16Å; S180-S193 PolarHBondContact O-N 3.22Å; S180-S193 PolarHBondContact OG-OG 3.43Å; S180-A225 PolarHBondContact OG-N 2.92Å
181A98.2Very high96.9Very high10 Ų1039.4 Ų39.48%0.08321%0.21CC..EExtended strand (participates in β ladder)trans-139.4133.4170.300000108.5I136 L148 I190 L191 T192I136-A181 HydrophobicContact CG2-CB 4.05Å; L148-A181 HydrophobicContact CD1-CB 4.49Å; L148-A181 HydrophobicContact CD2-CB 3.9Å; A181-I190 HydrophobicContact CB-CG2 4.38Å; A181-L191 CarbonylContact C-O 3.56Å; A181-L191 VanDerWaalsContact CA-O 3.25Å; A181-L191 WeakPolarHBondContact CA-O 3.06Å; A181-T192 HydrophobicContact CB-CG2 4.16Å
182C97.3Very high97Very high23 Ų2334.9 Ų34.916%0.15519%0.186CC..EExtended strand (participates in β ladder)trans-147.4153.4176.364.20000111.8I190 L191C182-I190 CarbonylContact O-C 3.46Å; C182-I190 WeakPolarHBondContact O-CA 3.19Å; C182-L191 PolarHBondContact N-O 2.75Å; C182-L191 PolarHBondContact O-N 3.05Å
183W97.8Very high97.2Very high21 Ų2129.8 Ų29.88%0.0815%0.151CC..EExtended strand (participates in β ladder)trans-78.6149.3173.1-65.4102.9000111.7S138 W139 H140 P141 L148 L158 G187 I190 P204 W378S138-W183 PolarHBondContact O-NE1 3.47Å; S138-W183 VanDerWaalsContact OG-CD1 3.29Å; W139-W183 VanDerWaalsContact O-CD1 3.23Å; H140-W183 AromaticContact CD2-CD2 3.9Å; H140-W183 AromaticContact CD2-CE2 3.82Å; H140-W183 AromaticContact CD2-CE3 3.8Å; H140-W183 AromaticContact CD2-CH2 3.59Å; H140-W183 AromaticContact CD2-CZ2 3.69Å; H140-W183 AromaticContact CD2-CZ3 3.62Å; H140-W183 AromaticContact NE2-CZ3 3.89Å; P141-W183 HydrophobicContact CG-CB 4.04Å; L148-W183 HydrophobicContact CB-CZ2 4.05Å; L148-W183 HydrophobicContact CD1-CZ2 4.11Å; L158-W183 HydrophobicContact CD1-CH2 4.15Å; L158-W183 HydrophobicContact CD2-CH2 4.05Å; L158-W183 HydrophobicContact CD2-CZ2 3.83Å; W183-G187 VanDerWaalsContact CE3-O 3.31Å; W183-G187 WeakPolarHBondContact CZ3-O 3.45Å; W183-I190 HydrophobicContact CD2-CG1 4.1Å; W183-I190 HydrophobicContact CE3-CG1 3.68Å; W183-I190 HydrophobicContact CH2-CD1 3.78Å; W183-I190 HydrophobicContact CH2-CG1 3.78Å; W183-I190 HydrophobicContact CZ2-CD1 4.19Å; W183-I190 HydrophobicContact CZ2-CG1 4.18Å; W183-I190 HydrophobicContact CZ3-CD1 4.01Å; W183-I190 HydrophobicContact CZ3-CG1 3.53Å; W183-P204 HydrophobicContact CH2-CB 3.76Å; W183-P204 HydrophobicContact CH2-CG 4.28Å; W183-P204 HydrophobicContact CZ3-CB 3.68Å; W183-P204 HydrophobicContact CZ3-CG 3.79Å; W183-W378 AromaticContact CH2-CH2 3.64Å; W183-W378 HydrophobicContact CH2-CH2 3.64Å; W183-W378 AromaticContact CH2-CZ2 3.93Å; W183-W378 HydrophobicContact CH2-CZ2 3.93Å; W183-W378 HydrophobicContact CZ3-CH2 4.03Å; W183-W378 AromaticContact CZ3-CZ2 3.85Å; W183-W378 HydrophobicContact CZ3-CZ2 3.85Å
184N96.3Very high97.2Very high26 Ų2629.1 Ų29.114%0.13915%0.146CC..  trans-74.4173.516072-26.6000110.6P141 D186 G187 S188 R189 F227P141-N184 WeakPolarHBondContact CG-O 3.17Å; N184-D186 VanDerWaalsContact C-N 3.3Å; N184-D186 PolarHBondContact ND2-OD1 2.88Å; N184-D186 PolarHBondContact O-N 3.36Å; N184-D186 PolarHBondContact OD1-OD1 3.21Å; N184-D186 VanDerWaalsContact OD1-OD1 3.04Å; N184-G187 PolarHBondContact O-N 2.88Å; N184-G187 WeakPolarHBondContact OD1-CA 3.28Å; N184-G187 PolarHBondContact OD1-N 3.18Å; N184-G187 VanDerWaalsContact OD1-N 3.11Å; N184-S188 PolarHBondContact ND2-OG 2.85Å; N184-S188 VanDerWaalsContact ND2-OG 3.12Å; N184-S188 PolarHBondContact OD1-N 2.8Å; N184-R189 HydrophobicContact CB-CB 4.28Å; N184-R189 PolarHBondContact N-O 3.43Å; N184-R189 PolarHBondContact OD1-N 3.23Å; N184-R189 PolarHBondContact OD1-O 2.95Å; N184-F227 HydrophobicContact CB-CB 4.41Å; N184-F227 HydrophobicContact CB-CD1 4.02Å; N184-F227 HydrophobicContact CB-CD2 3.53Å; N184-F227 HydrophobicContact CB-CE1 4.09Å; N184-F227 HydrophobicContact CB-CE2 3.57Å; N184-F227 HydrophobicContact CB-CG 3.73Å; N184-F227 HydrophobicContact CB-CZ 3.86Å
185R93.6Very high97.2Very high126 Ų12633.3 Ų33.348%0.47517%0.165SC..THydrogen-bonded Turntrans-56.8-36.2-170.7-171.4177-177.4179.93.4115I367 P386R185-I367 HydrophobicContact CG-CD1 4.27Å; R185-P386 HydrophobicContact CG-CG 4.5Å
186D92.8Very high97.2Very high60 Ų6030.6 Ų30.632%0.32115%0.145SC..THydrogen-bonded Turntrans-95.7-6.1-179.563.75000113.4T142 N184 S188T142-D186 WeakPolarHBondContact CG2-O 3.25Å; T142-D186 PolarHBondContact OG1-O 2.88Å; N184-D186 VanDerWaalsContact C-N 3.3Å; N184-D186 PolarHBondContact ND2-OD1 2.88Å; N184-D186 PolarHBondContact O-N 3.36Å; N184-D186 PolarHBondContact OD1-OD1 3.21Å; N184-D186 VanDerWaalsContact OD1-OD1 3.04Å; D186-S188 VanDerWaalsContact C-N 3.26Å; D186-S188 VanDerWaalsContact CG-OG 3.29Å; D186-S188 PolarHBondContact O-N 2.59Å; D186-S188 VanDerWaalsContact OD1-CB 3.26Å; D186-S188 WeakPolarHBondContact OD1-CB 3.37Å; D186-S188 PolarHBondContact OD1-N 3.29Å; D186-S188 PolarHBondContact OD1-OG 3.25Å; D186-S188 PolarHBondContact OD2-OG 3.18Å
187G95.6Very high97.1Very high0 Ų031.3 Ų31.30%015%0.146CC..SBendtrans74.110.9-176.200000114.4H140 W183 N184 R189 W378H140-G187 WeakPolarHBondContact NE2-CA 3.47Å; H140-G187 PolarHBondContact NE2-O 2.93Å; W183-G187 VanDerWaalsContact CE3-O 3.31Å; W183-G187 WeakPolarHBondContact CZ3-O 3.45Å; N184-G187 PolarHBondContact O-N 2.88Å; N184-G187 WeakPolarHBondContact OD1-CA 3.28Å; N184-G187 PolarHBondContact OD1-N 3.18Å; N184-G187 VanDerWaalsContact OD1-N 3.11Å; G187-R189 VanDerWaalsContact C-N 3.26Å; G187-R189 PolarHBondContact O-N 3.19Å; G187-W378 WeakPolarHBondContact O-CZ2 3.34Å
188S95.6Very high97.1Very high8 Ų831.8 Ų31.86%0.05615%0.146CC..SBendtrans-74.4-16.4177.367.90000113.2N184 D186 P204N184-S188 PolarHBondContact ND2-OG 2.85Å; N184-S188 VanDerWaalsContact ND2-OG 3.12Å; N184-S188 PolarHBondContact OD1-N 2.8Å; D186-S188 VanDerWaalsContact C-N 3.26Å; D186-S188 VanDerWaalsContact CG-OG 3.29Å; D186-S188 PolarHBondContact O-N 2.59Å; D186-S188 VanDerWaalsContact OD1-CB 3.26Å; D186-S188 WeakPolarHBondContact OD1-CB 3.37Å; D186-S188 PolarHBondContact OD1-N 3.29Å; D186-S188 PolarHBondContact OD1-OG 3.25Å; D186-S188 PolarHBondContact OD2-OG 3.18Å; S188-P204 WeakPolarHBondContact O-CD 3.43Å
189R96.6Very high97.1Very high75 Ų7531.4 Ų31.428%0.28314%0.144SC..  trans-138.8148.3-174.9-54.9-64.6-179.2-92.4-4112.1N184 G187 V201 L202 F227N184-R189 HydrophobicContact CB-CB 4.28Å; N184-R189 PolarHBondContact N-O 3.43Å; N184-R189 PolarHBondContact OD1-N 3.23Å; N184-R189 PolarHBondContact OD1-O 2.95Å; G187-R189 VanDerWaalsContact C-N 3.26Å; G187-R189 PolarHBondContact O-N 3.19Å; R189-V201 HydrophobicContact CB-CG1 4.11Å; R189-V201 HydrophobicContact CG-CG1 4.37Å; R189-L202 WeakPolarHBondContact CA-O 3.35Å; R189-F227 HydrophobicContact CB-CZ 4.07Å
190I98.1Very high97.1Very high0 Ų030.4 Ų30.40%014%0.14CC..EExtended strand (participates in β ladder)trans-110.8134.5168.4-61160.5000108.9L148 L158 A181 C182 W183 T192 V201 L202 P204L148-I190 HydrophobicContact CD1-CD1 3.43Å; L148-I190 VanDerWaalsContact CD1-CD1 3.43Å; L148-I190 HydrophobicContact CD1-CG1 3.8Å; L148-I190 HydrophobicContact CD1-CG2 3.88Å; L158-I190 HydrophobicContact CD2-CD1 4.08Å; A181-I190 HydrophobicContact CB-CG2 4.38Å; C182-I190 CarbonylContact O-C 3.46Å; C182-I190 WeakPolarHBondContact O-CA 3.19Å; W183-I190 HydrophobicContact CD2-CG1 4.1Å; W183-I190 HydrophobicContact CE3-CG1 3.68Å; W183-I190 HydrophobicContact CH2-CD1 3.78Å; W183-I190 HydrophobicContact CH2-CG1 3.78Å; W183-I190 HydrophobicContact CZ2-CD1 4.19Å; W183-I190 HydrophobicContact CZ2-CG1 4.18Å; W183-I190 HydrophobicContact CZ3-CD1 4.01Å; W183-I190 HydrophobicContact CZ3-CG1 3.53Å; I190-T192 HydrophobicContact CG2-CG2 3.78Å; I190-V201 CarbonylContact O-C 3.45Å; I190-V201 WeakPolarHBondContact O-CA 3.41Å; I190-L202 HydrophobicContact CB-CB 4.49Å; I190-L202 PolarHBondContact N-O 2.91Å; I190-L202 PolarHBondContact O-N 2.95Å; I190-P204 HydrophobicContact CD1-CB 3.45Å; I190-P204 VanDerWaalsContact CD1-CB 3.45Å; I190-P204 HydrophobicContact CG1-CB 3.91Å
191L98.3Very high97.1Very high1 Ų129.9 Ų29.91%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-102.7131.6167.6171.364.7000109.3A181 C182 L199 R200 V201 A225 F227 I233A181-L191 CarbonylContact C-O 3.56Å; A181-L191 VanDerWaalsContact CA-O 3.25Å; A181-L191 WeakPolarHBondContact CA-O 3.06Å; C182-L191 PolarHBondContact N-O 2.75Å; C182-L191 PolarHBondContact O-N 3.05Å; L191-L199 HydrophobicContact CD1-CB 4.45Å; L191-R200 CarbonylContact C-O 3.02Å; L191-R200 WeakPolarHBondContact CA-O 3.5Å; L191-V201 HydrophobicContact CD1-CG2 4.14Å; L191-A225 HydrophobicContact CD2-CB 3.69Å; L191-A225 HydrophobicContact CG-CB 4.19Å; L191-F227 HydrophobicContact CB-CD2 3.87Å; L191-F227 HydrophobicContact CB-CE1 4.43Å; L191-F227 HydrophobicContact CB-CE2 3.25Å; L191-F227 HydrophobicContact CB-CZ 3.58Å; L191-F227 HydrophobicContact CD2-CD2 4.38Å; L191-F227 HydrophobicContact CD2-CE2 4.46Å; L191-F227 HydrophobicContact CG-CE2 4.49Å; L191-I233 HydrophobicContact CD1-CD1 3.9Å; L191-I233 HydrophobicContact CD1-CG1 4.47Å; L191-I233 HydrophobicContact CD1-CG2 4.27Å; L191-I233 HydrophobicContact CD2-CB 4.43Å; L191-I233 HydrophobicContact CD2-CD1 4.39Å; L191-I233 HydrophobicContact CD2-CG1 4.06Å; L191-I233 HydrophobicContact CD2-CG2 3.62Å
192T98.6Very high97.1Very high0 Ų029.4 Ų29.40%013%0.132CC..EExtended strand (participates in β ladder)trans-126.4146.3178.262.50000111.2I156 H174 S180 A181 I190 L199 R200 L202I156-T192 HydrophobicContact CD1-CG2 3.58Å; H174-T192 WeakPolarHBondContact NE2-CB 3.49Å; H174-T192 PolarHBondContact NE2-OG1 3.34Å; S180-T192 CarbonylContact O-C 3.22Å; S180-T192 VanDerWaalsContact O-CA 3.25Å; S180-T192 WeakPolarHBondContact O-CA 3.4Å; A181-T192 HydrophobicContact CB-CG2 4.16Å; I190-T192 HydrophobicContact CG2-CG2 3.78Å; T192-L199 CarbonylContact O-C 3.53Å; T192-L199 VanDerWaalsContact O-CA 3.31Å; T192-L199 WeakPolarHBondContact O-CA 3.28Å; T192-R200 PolarHBondContact N-O 3.34Å; T192-R200 PolarHBondContact O-N 3.27Å; T192-R200 PolarHBondContact OG1-O 3.22Å; T192-L202 HydrophobicContact CG2-CD1 3.99Å
193S98.3Very high97.1Very high0 Ų028.9 Ų28.90%013%0.127CC..EExtended strand (participates in β ladder)trans-116.6138.9165.567.30000109.8Y179 S180 L199 V223Y179-S193 WeakPolarHBondContact CB-OG 3.33Å; Y179-S193 PolarHBondContact N-O 3.11Å; S180-S193 PolarHBondContact N-OG 3.05Å; S180-S193 VanDerWaalsContact N-OG 3.16Å; S180-S193 PolarHBondContact O-N 3.22Å; S180-S193 PolarHBondContact OG-OG 3.43Å; S193-L199 VanDerWaalsContact CB-CD2 3.45Å; S193-V223 WeakPolarHBondContact CB-O 3.45Å; S193-V223 PolarHBondContact OG-O 3.18Å
194C98.3Very high97Very high3 Ų327.9 Ų27.92%0.0212%0.124CC..EExtended strand (participates in β ladder)trans-130.9153.7-174.4179.90000111.8D176 L177 D196 K197 K198D176-C194 PolarHBondContact O-SG 3.42Å; L177-C194 WeakPolarHBondContact O-CA 3.42Å; C194-D196 WeakPolarHBondContact CB-OD1 3.19Å; C194-D196 PolarHBondContact O-N 2.93Å; C194-D196 VanDerWaalsContact SG-CG 3.53Å; C194-D196 PolarHBondContact SG-OD1 3.23Å; C194-D196 VanDerWaalsContact SG-OD1 3.32Å; C194-K197 WeakPolarHBondContact O-CA 3.31Å; C194-K197 PolarHBondContact O-N 3.31Å; C194-K198 PolarHBondContact N-O 3.49Å; C194-K198 VanDerWaalsContact N-O 3.07Å
195K97.9Very high97Very high95 Ų9529 Ų2941%0.41313%0.126SC..THydrogen-bonded Turntrans-64.6-17.8177.5-179.2168.3159.5-122.20114.1D176 L177 Y179 K197D176-K195 HydrophobicContact CB-CB 4.06Å; D176-K195 IonicContact OD1-NZ 3.81Å; D176-K195 PolarHBondContact OD1-NZ 2.8Å; D176-K195 VanDerWaalsContact OD1-NZ 3.12Å; D176-K195 WeakPolarHBondContact OD2-CD 3.36Å; D176-K195 WeakPolarHBondContact OD2-CE 3.44Å; D176-K195 WeakPolarHBondContact OD2-CG 3.43Å; D176-K195 IonicContact OD2-NZ 2.72Å; D176-K195 PolarHBondContact OD2-NZ 3.06Å; L177-K195 HydrophobicContact CB-CB 4.13Å; L177-K195 HydrophobicContact CB-CD 4.19Å; L177-K195 WeakPolarHBondContact O-CB 3.41Å; L177-K195 PolarHBondContact O-N 3.2Å; Y179-K195 HydrophobicContact CD2-CB 4.45Å; Y179-K195 HydrophobicContact CE1-CB 4.26Å; Y179-K195 HydrophobicContact CE2-CB 3.7Å; Y179-K195 HydrophobicContact CE2-CG 4.25Å; Y179-K195 WeakPolarHBondContact OH-CD 3.19Å; Y179-K195 VanDerWaalsContact OH-CG 3.27Å; Y179-K195 WeakPolarHBondContact OH-CG 3.46Å; K195-K197 PolarHBondContact O-N 3.29Å
196D97.6Very high97Very high38 Ų3830.4 Ų30.420%0.20314%0.135CC..THydrogen-bonded Turntrans-67.33.4166.675.9-11.2000113.9P175 C194 K198 R200P175-D196 HydrophobicContact CG-CB 4.08Å; C194-D196 WeakPolarHBondContact CB-OD1 3.19Å; C194-D196 PolarHBondContact O-N 2.93Å; C194-D196 VanDerWaalsContact SG-CG 3.53Å; C194-D196 PolarHBondContact SG-OD1 3.23Å; C194-D196 VanDerWaalsContact SG-OD1 3.32Å; D196-K198 WeakPolarHBondContact OD1-CB 3.42Å; D196-K198 PolarHBondContact OD1-N 3.07Å; D196-R200 IonicContact OD1-NH1 3.23Å; D196-R200 PolarHBondContact OD1-NH1 2.78Å; D196-R200 IonicContact OD2-CZ 3.6Å; D196-R200 VanDerWaalsContact OD2-CZ 3.23Å; D196-R200 IonicContact OD2-NH1 3.36Å; D196-R200 PolarHBondContact OD2-NH1 2.85Å; D196-R200 IonicContact OD2-NH2 3.32Å; D196-R200 PolarHBondContact OD2-NH2 2.96Å
197K97.1Very high97.1Very high68 Ų6828.3 Ų28.330%0.29613%0.128SC..SBendtrans69.126.2-179.3-52.6-169.7176.1-156.70114.2C194 K195 K215 P216 E218 G219C194-K197 WeakPolarHBondContact O-CA 3.31Å; C194-K197 PolarHBondContact O-N 3.31Å; K195-K197 PolarHBondContact O-N 3.29Å; K197-K215 HydrophobicContact CB-CG 4.23Å; K197-K215 HydrophobicContact CD-CG 4.34Å; K197-K215 VanDerWaalsContact O-CA 3.32Å; K197-K215 WeakPolarHBondContact O-CA 3.49Å; K197-K215 PolarHBondContact O-N 3.23Å; K197-P216 WeakPolarHBondContact O-CD 3.14Å; K197-E218 PolarHBondContact NZ-O 3.44Å; K197-G219 WeakPolarHBondContact CE-O 3.36Å; K197-G219 PolarHBondContact NZ-O 2.93Å
198K97.6Very high97.1Very high55 Ų5531.3 Ų31.324%0.23915%0.147CC..EExtended strand (participates in β ladder)trans-112.5143.9175.9-50.8-157.9-169173.60113.1C194 D196 E212 K213C194-K198 PolarHBondContact N-O 3.49Å; C194-K198 VanDerWaalsContact N-O 3.07Å; D196-K198 WeakPolarHBondContact OD1-CB 3.42Å; D196-K198 PolarHBondContact OD1-N 3.07Å; K198-E212 HydrophobicContact CB-CG 4.24Å; K198-E212 HydrophobicContact CD-CG 3.78Å; K198-E212 WeakPolarHBondContact CD-OE1 3.3Å; K198-E212 WeakPolarHBondContact CE-OE1 3.15Å; K198-E212 IonicContact NZ-OE1 2.65Å; K198-E212 PolarHBondContact NZ-OE1 2.94Å; K198-E212 IonicContact NZ-OE2 3.17Å; K198-K213 VanDerWaalsContact CA-O 3.25Å; K198-K213 WeakPolarHBondContact CA-O 3.48Å
199L97.9Very high97.2Very high0 Ų033.9 Ų33.90%016%0.162CC..EExtended strand (participates in β ladder)trans-96.4137161-56.6179.9000108.8L191 T192 S193 E212 K213 P216 V223 A225 I233L191-L199 HydrophobicContact CD1-CB 4.45Å; T192-L199 CarbonylContact O-C 3.53Å; T192-L199 VanDerWaalsContact O-CA 3.31Å; T192-L199 WeakPolarHBondContact O-CA 3.28Å; S193-L199 VanDerWaalsContact CB-CD2 3.45Å; L199-E212 CarbonylContact O-C 3.5Å; L199-E212 VanDerWaalsContact O-CA 3.3Å; L199-E212 WeakPolarHBondContact O-CA 3.49Å; L199-K213 HydrophobicContact CB-CB 4.26Å; L199-K213 PolarHBondContact N-O 3Å; L199-K213 PolarHBondContact O-N 2.8Å; L199-P216 HydrophobicContact CD1-CB 3.75Å; L199-P216 HydrophobicContact CD1-CG 4.05Å; L199-P216 HydrophobicContact CD2-CG 4.27Å; L199-P216 HydrophobicContact CG-CB 4.02Å; L199-P216 HydrophobicContact CG-CG 3.78Å; L199-V223 HydrophobicContact CD2-CG1 3.91Å; L199-A225 HydrophobicContact CD1-CB 4.18Å; L199-A225 HydrophobicContact CD2-CB 3.86Å; L199-I233 HydrophobicContact CD1-CG2 4.4Å
200R97.8Very high97.1Very high13 Ų1333.5 Ų33.55%0.04917%0.165CC..EExtended strand (participates in β ladder)trans-131.7132.1177.3-62175.6176.294-7.4111.2L191 T192 D196 L202 V209 F211 E212L191-R200 CarbonylContact C-O 3.02Å; L191-R200 WeakPolarHBondContact CA-O 3.5Å; T192-R200 PolarHBondContact N-O 3.34Å; T192-R200 PolarHBondContact O-N 3.27Å; T192-R200 PolarHBondContact OG1-O 3.22Å; D196-R200 IonicContact OD1-NH1 3.23Å; D196-R200 PolarHBondContact OD1-NH1 2.78Å; D196-R200 IonicContact OD2-CZ 3.6Å; D196-R200 VanDerWaalsContact OD2-CZ 3.23Å; D196-R200 IonicContact OD2-NH1 3.36Å; D196-R200 PolarHBondContact OD2-NH1 2.85Å; D196-R200 IonicContact OD2-NH2 3.32Å; D196-R200 PolarHBondContact OD2-NH2 2.96Å; R200-L202 HydrophobicContact CB-CD2 3.84Å; R200-V209 HydrophobicContact CB-CG1 4.28Å; R200-V209 HydrophobicContact CG-CG1 4.28Å; R200-F211 WeakPolarHBondContact CA-O 3.33Å; R200-E212 HydrophobicContact CG-CB 4.45Å; R200-E212 HydrophobicContact CG-CG 4.06Å; R200-E212 IonicContact CZ-OE2 3.34Å; R200-E212 VanDerWaalsContact CZ-OE2 3.32Å; R200-E212 IonicContact NE-OE2 2.74Å; R200-E212 PolarHBondContact NE-OE2 3.48Å; R200-E212 IonicContact NH2-OE2 3.57Å; R200-E212 PolarHBondContact NH2-OE2 2.73Å
201V97.4Very high97Very high5 Ų537.3 Ų37.33%0.0318%0.182CC..EExtended strand (participates in β ladder)trans-97.9124.8165.7-179.30000107.7R189 I190 L191 L210 F211 F227 I233R189-V201 HydrophobicContact CB-CG1 4.11Å; R189-V201 HydrophobicContact CG-CG1 4.37Å; I190-V201 CarbonylContact O-C 3.45Å; I190-V201 WeakPolarHBondContact O-CA 3.41Å; L191-V201 HydrophobicContact CD1-CG2 4.14Å; V201-L210 PolarHBondContact O-N 3.04Å; V201-F211 HydrophobicContact CB-CB 4.16Å; V201-F211 HydrophobicContact CB-CD2 4Å; V201-F211 HydrophobicContact CG1-CD2 4.13Å; V201-F211 HydrophobicContact CG2-CB 4.34Å; V201-F211 HydrophobicContact CG2-CD2 4.45Å; V201-F211 PolarHBondContact N-O 2.93Å; V201-F211 PolarHBondContact O-N 2.97Å; V201-F227 HydrophobicContact CG1-CZ 4.21Å; V201-F227 HydrophobicContact CG2-CE1 4.45Å; V201-F227 HydrophobicContact CG2-CZ 4.43Å; V201-I233 HydrophobicContact CG2-CD1 3.5Å
202L97.8Very high96.8Very high0 Ų041.2 Ų41.20%020%0.2CC..EExtended strand (participates in β ladder)trans-114146.9-173.1-50.3-179.8000111.2I156 I170 V173 R189 I190 T192 R200 P204 T208 V209I156-L202 HydrophobicContact CD1-CD1 4.31Å; I170-L202 HydrophobicContact CD1-CD1 4.47Å; V173-L202 HydrophobicContact CG1-CD1 4.45Å; V173-L202 HydrophobicContact CG1-CD2 3.97Å; R189-L202 WeakPolarHBondContact CA-O 3.35Å; I190-L202 HydrophobicContact CB-CB 4.49Å; I190-L202 PolarHBondContact N-O 2.91Å; I190-L202 PolarHBondContact O-N 2.95Å; T192-L202 HydrophobicContact CG2-CD1 3.99Å; R200-L202 HydrophobicContact CB-CD2 3.84Å; L202-P204 WeakPolarHBondContact O-CD 3.48Å; L202-T208 WeakPolarHBondContact CA-O 3.18Å; L202-V209 HydrophobicContact CD2-CB 4.11Å; L202-V209 HydrophobicContact CD2-CG1 4.35Å; L202-V209 HydrophobicContact CD2-CG2 3.65Å
203D97.3Very high96.7Very high12 Ų1242.7 Ų42.76%0.06421%0.206CC..EExtended strand (participates in β ladder)trans-77.7110.2154.1-176.1-29.8000107.3R205 K206 G207 T208 L210D203-R205 VanDerWaalsContact C-N 3.32Å; D203-R205 PolarHBondContact O-N 3.04Å; D203-R205 PolarHBondContact OD1-N 3.5Å; D203-R205 VanDerWaalsContact OD1-N 3.12Å; D203-K206 HydrophobicContact CB-CB 4.34Å; D203-K206 PolarHBondContact O-N 3.34Å; D203-K206 PolarHBondContact OD1-N 3.41Å; D203-K206 WeakPolarHBondContact OD2-CD 3.35Å; D203-K206 IonicContact OD2-NZ 3.52Å; D203-G207 WeakPolarHBondContact O-CA 3.02Å; D203-G207 PolarHBondContact O-N 3.43Å; D203-T208 PolarHBondContact N-O 2.81Å; D203-T208 PolarHBondContact O-N 2.91Å; D203-L210 HydrophobicContact CB-CD1 4.19Å; D203-L210 HydrophobicContact CB-CD2 4.25Å; D203-L210 HydrophobicContact CB-CG 4.26Å
204P96.3Very high96.7Very high0 Ų046.2 Ų46.20%023%0.225CC..THydrogen-bonded Turntrans-64.9-33.8-17229-38.8000113L158 V168 W183 S188 I190 L202 W378L158-P204 HydrophobicContact CD1-CB 3.83Å; L158-P204 WeakPolarHBondContact CD1-O 3.46Å; V168-P204 WeakPolarHBondContact CG1-O 3.28Å; W183-P204 HydrophobicContact CH2-CB 3.76Å; W183-P204 HydrophobicContact CH2-CG 4.28Å; W183-P204 HydrophobicContact CZ3-CB 3.68Å; W183-P204 HydrophobicContact CZ3-CG 3.79Å; S188-P204 WeakPolarHBondContact O-CD 3.43Å; I190-P204 HydrophobicContact CD1-CB 3.45Å; I190-P204 VanDerWaalsContact CD1-CB 3.45Å; I190-P204 HydrophobicContact CG1-CB 3.91Å; L202-P204 WeakPolarHBondContact O-CD 3.48Å; P204-W378 HydrophobicContact CB-CH2 3.97Å; P204-W378 HydrophobicContact CB-CZ2 4.32Å; P204-W378 HydrophobicContact CG-CH2 3.85Å; P204-W378 HydrophobicContact CG-CZ2 3.73Å
205R95.8Very high96.5Very high51 Ų5150.7 Ų50.719%0.19224%0.244CC..THydrogen-bonded Turntrans-81.4-27.9-174.1-69.6170.5-62.9-159.3-1.8112D203 W378 G381 E383D203-R205 VanDerWaalsContact C-N 3.32Å; D203-R205 PolarHBondContact O-N 3.04Å; D203-R205 PolarHBondContact OD1-N 3.5Å; D203-R205 VanDerWaalsContact OD1-N 3.12Å; R205-W378 VanDerWaalsContact CD-O 3.25Å; R205-W378 WeakPolarHBondContact CD-O 3.14Å; R205-W378 HydrophobicContact CG-CE3 4.44Å; R205-W378 HydrophobicContact CG-CH2 3.74Å; R205-W378 HydrophobicContact CG-CZ2 4.1Å; R205-W378 HydrophobicContact CG-CZ3 3.94Å; R205-W378 PolarHBondContact NH1-O 2.91Å; R205-G381 VanDerWaalsContact NH1-C 3.34Å; R205-G381 VanDerWaalsContact NH1-CA 3.3Å; R205-G381 PolarHBondContact NH1-O 2.97Å; R205-E383 IonicContact CZ-OE1 3.19Å; R205-E383 IonicContact NH1-OE1 3.76Å; R205-E383 IonicContact NH2-OE1 2.8Å; R205-E383 PolarHBondContact NH2-OE1 2.79Å
206K94.8Very high96.5Very high154 Ų15446.6 Ų46.667%0.6723%0.227SC*.THydrogen-bonded Turntrans-97.5-16.2178.6-60.8-180-171.71560113.2D203 T208D203-K206 HydrophobicContact CB-CB 4.34Å; D203-K206 PolarHBondContact O-N 3.34Å; D203-K206 PolarHBondContact OD1-N 3.41Å; D203-K206 WeakPolarHBondContact OD2-CD 3.35Å; D203-K206 IonicContact OD2-NZ 3.52Å; K206-T208 HydrophobicContact CB-CG2 3.95Å; K206-T208 PolarHBondContact O-N 2.68Å
207G94.1Very high96.5Very high16 Ų1645 Ų4517%0.16522%0.219CC..THydrogen-bonded Turntrans66.618.7-172.700000113.7V173 D203V173-G207 WeakPolarHBondContact CG2-O 3.3Å; D203-G207 WeakPolarHBondContact O-CA 3.02Å; D203-G207 PolarHBondContact O-N 3.43Å
208T96.6Very high96.4Very high64 Ų6447.1 Ų47.139%0.39323%0.229SC..EExtended strand (participates in β ladder)trans-95.1139-17655.70000111.7L202 D203 K206 L210L202-T208 WeakPolarHBondContact CA-O 3.18Å; D203-T208 PolarHBondContact N-O 2.81Å; D203-T208 PolarHBondContact O-N 2.91Å; K206-T208 HydrophobicContact CB-CG2 3.95Å; K206-T208 PolarHBondContact O-N 2.68Å; T208-L210 PolarHBondContact O-N 3.45Å
209V97.3Very high96.3Very high61 Ų6145 Ų4537%0.3722%0.223SC..EExtended strand (participates in β ladder)trans-73.9123.6172.2-174.60000109.6V173 R200 L202 E212V173-V209 HydrophobicContact CG1-CG2 3.73Å; V173-V209 HydrophobicContact CG2-CG2 4.41Å; R200-V209 HydrophobicContact CB-CG1 4.28Å; R200-V209 HydrophobicContact CG-CG1 4.28Å; L202-V209 HydrophobicContact CD2-CB 4.11Å; L202-V209 HydrophobicContact CD2-CG1 4.35Å; L202-V209 HydrophobicContact CD2-CG2 3.65Å; V209-E212 HydrophobicContact CG1-CB 4.17Å
210L95.4Very high96Very high67 Ų6749.7 Ų49.735%0.35126%0.256SS..EExtended strand (participates in β ladder)trans-93.1-44.9176.2-60.6174.7000111.4V201 D203 T208V201-L210 PolarHBondContact O-N 3.04Å; D203-L210 HydrophobicContact CB-CD1 4.19Å; D203-L210 HydrophobicContact CB-CD2 4.25Å; D203-L210 HydrophobicContact CB-CG 4.26Å; T208-L210 PolarHBondContact O-N 3.45Å
211F94.1Very high95.9Very high81 Ų8153.8 Ų53.836%0.35527%0.272SS..EExtended strand (participates in β ladder)trans-138.3143.8179.2-52.7-77.3000109.8R200 V201 P251 F254R200-F211 WeakPolarHBondContact CA-O 3.33Å; V201-F211 HydrophobicContact CB-CB 4.16Å; V201-F211 HydrophobicContact CB-CD2 4Å; V201-F211 HydrophobicContact CG1-CD2 4.13Å; V201-F211 HydrophobicContact CG2-CB 4.34Å; V201-F211 HydrophobicContact CG2-CD2 4.45Å; V201-F211 PolarHBondContact N-O 2.93Å; V201-F211 PolarHBondContact O-N 2.97Å; F211-P251 WeakPolarHBondContact CD1-O 3.24Å; F211-P251 HydrophobicContact CD2-CB 4.28Å; F211-P251 HydrophobicContact CG-CB 4.42Å; F211-F254 HydrophobicContact CB-CD1 4.28Å; F211-F254 HydrophobicContact CB-CE1 4.37Å
212E95.4Very high95.8Very high82 Ų8254.6 Ų54.638%0.38328%0.277SS..EExtended strand (participates in β ladder)trans-137.5129.1179-175.9175.998.800110.4K198 L199 R200 V209 F254K198-E212 HydrophobicContact CB-CG 4.24Å; K198-E212 HydrophobicContact CD-CG 3.78Å; K198-E212 WeakPolarHBondContact CD-OE1 3.3Å; K198-E212 WeakPolarHBondContact CE-OE1 3.15Å; K198-E212 IonicContact NZ-OE1 2.65Å; K198-E212 PolarHBondContact NZ-OE1 2.94Å; K198-E212 IonicContact NZ-OE2 3.17Å; L199-E212 CarbonylContact O-C 3.5Å; L199-E212 VanDerWaalsContact O-CA 3.3Å; L199-E212 WeakPolarHBondContact O-CA 3.49Å; R200-E212 HydrophobicContact CG-CB 4.45Å; R200-E212 HydrophobicContact CG-CG 4.06Å; R200-E212 IonicContact CZ-OE2 3.34Å; R200-E212 VanDerWaalsContact CZ-OE2 3.32Å; R200-E212 IonicContact NE-OE2 2.74Å; R200-E212 PolarHBondContact NE-OE2 3.48Å; R200-E212 IonicContact NH2-OE2 3.57Å; R200-E212 PolarHBondContact NH2-OE2 2.73Å; V209-E212 HydrophobicContact CG1-CB 4.17Å; E212-F254 VanDerWaalsContact C-CD1 3.41Å
213K96.8Very high95.8Very high32 Ų3255.2 Ų55.214%0.13928%0.281CS..EExtended strand (participates in β ladder)trans-108.6113.6169.6172.966.7-168.8166.70108.4K198 L199 P216 W249 F254 G255K198-K213 VanDerWaalsContact CA-O 3.25Å; K198-K213 WeakPolarHBondContact CA-O 3.48Å; L199-K213 HydrophobicContact CB-CB 4.26Å; L199-K213 PolarHBondContact N-O 3Å; L199-K213 PolarHBondContact O-N 2.8Å; K213-P216 HydrophobicContact CG-CB 4.04Å; K213-W249 HydrophobicContact CD-CE3 4.16Å; K213-W249 HydrophobicContact CD-CH2 4.31Å; K213-W249 HydrophobicContact CD-CZ3 3.83Å; K213-W249 HydrophobicContact CG-CE3 4.46Å; K213-W249 HydrophobicContact CG-CZ3 4.35Å; K213-F254 HydrophobicContact CB-CD1 3.39Å; K213-F254 HydrophobicContact CB-CE1 3.41Å; K213-F254 VanDerWaalsContact CB-CE1 3.41Å; K213-F254 HydrophobicContact CB-CG 3.94Å; K213-F254 HydrophobicContact CB-CZ 4.04Å; K213-F254 WeakPolarHBondContact CD-O 3.46Å; K213-F254 VanDerWaalsContact N-CD1 3.35Å; K213-G255 PolarHBondContact NZ-O 3.35Å
214D96.7Very high95.9Very high74 Ų7455.8 Ų55.840%0.39628%0.282SS..EExtended strand (participates in β ladder)trans-76.2132.4167.1-171.650.4000110
215K96.1Very high95.9Very high97 Ų9755.9 Ų55.942%0.42228%0.283SS..  trans48.767.5176.7-60.6169.8-169.8168.10112.6K197 H217K197-K215 HydrophobicContact CB-CG 4.23Å; K197-K215 HydrophobicContact CD-CG 4.34Å; K197-K215 VanDerWaalsContact O-CA 3.32Å; K197-K215 WeakPolarHBondContact O-CA 3.49Å; K197-K215 PolarHBondContact O-N 3.23Å; K215-H217 PolarHBondContact O-N 3.44Å
216P96.9Very high96.1Very high8 Ų854.8 Ų54.85%0.05228%0.281CS..SBendtrans-60.6-26.2170.432.6-40.5000111.4K197 L199 K213 V223 W249K197-P216 WeakPolarHBondContact O-CD 3.14Å; L199-P216 HydrophobicContact CD1-CB 3.75Å; L199-P216 HydrophobicContact CD1-CG 4.05Å; L199-P216 HydrophobicContact CD2-CG 4.27Å; L199-P216 HydrophobicContact CG-CB 4.02Å; L199-P216 HydrophobicContact CG-CG 3.78Å; K213-P216 HydrophobicContact CG-CB 4.04Å; P216-V223 HydrophobicContact CG-CG1 4.12Å; P216-V223 HydrophobicContact CG-CG2 4.39Å; P216-W249 HydrophobicContact CB-CH2 4.49Å; P216-W249 HydrophobicContact CB-CZ2 3.79Å; P216-W249 VanDerWaalsContact O-CZ2 3.24Å; P216-W249 WeakPolarHBondContact O-CZ2 3.41Å
217H97.7Very high96.2Very high6 Ų648.7 Ų48.73%0.02826%0.255CS..SBendtrans-139.8140.8177.2-63.3-82.3000108.7K215 G219 V223 S235 G237 F238 Q245K215-H217 PolarHBondContact O-N 3.44Å; H217-G219 VanDerWaalsContact C-N 3.35Å; H217-V223 HydrophobicContact CB-CG2 4.22Å; H217-S235 PolarHBondContact NE2-OG 2.72Å; H217-G237 PolarHBondContact NE2-N 3.36Å; H217-F238 WeakPolarHBondContact CB-O 3.34Å; H217-Q245 PolarHBondContact ND1-OE1 2.88Å; H217-Q245 VanDerWaalsContact ND1-OE1 3.16Å
218E95.7Very high96.3Very high111 Ų11148.4 Ų48.452%0.51925%0.25SC..SBendtrans-76.5-22.2-174.9-72.4-61.8140.100113.5K197 R240K197-E218 PolarHBondContact NZ-O 3.44Å; E218-R240 HydrophobicContact CB-CB 4.11Å
219G94.5Very high95.7Very high10 Ų1047.5 Ų47.510%0.10325%0.246CC..SBendtrans-62.1168.5179.600000113.9K197 H217 F238 S239K197-G219 WeakPolarHBondContact CE-O 3.36Å; K197-G219 PolarHBondContact NZ-O 2.93Å; H217-G219 VanDerWaalsContact C-N 3.35Å; G219-F238 WeakPolarHBondContact CA-O 3.18Å; G219-F238 PolarHBondContact N-O 2.86Å; G219-S239 VanDerWaalsContact CA-O 3.31Å; G219-S239 WeakPolarHBondContact CA-O 3.32Å
220S91.5Very high94.8Very high100 Ų10048.6 Ų48.670%0.69927%0.27SS*.SBendtrans-99.7-6.4178.155.30000113.7
221R95.3Very high94.4Very high99 Ų9947.1 Ų47.137%0.37427%0.271SS..SBendtrans-80161.4-178.8-74177.3179.8-81.4-7111.3F238 S267R221-F238 HydrophobicContact CB-CB 4.15Å; R221-F238 HydrophobicContact CB-CD1 4.27Å; R221-F238 HydrophobicContact CB-CD2 3.2Å; R221-F238 HydrophobicContact CB-CE1 4.47Å; R221-F238 HydrophobicContact CB-CE2 3.5Å; R221-F238 HydrophobicContact CB-CG 3.63Å; R221-F238 HydrophobicContact CB-CZ 4.14Å; R221-F238 VanDerWaalsContact CD-CD1 3.4Å; R221-F238 HydrophobicContact CG-CD1 4.44Å; R221-F238 HydrophobicContact CG-CD2 4.19Å; R221-F238 HydrophobicContact CG-CE2 4.35Å; R221-F238 HydrophobicContact CG-CG 4.22Å; R221-S267 PolarHBondContact NH1-O 3.27Å
222P96.7Very high94.5Very high22 Ų2244.6 Ų44.614%0.14326%0.26CS..  trans-55.9141.6-178.2-2634.9000113.4Y179 V269Y179-P222 HydrophobicContact CD1-CB 3.9Å; Y179-P222 HydrophobicContact CD1-CG 4.24Å; Y179-P222 HydrophobicContact CD2-CB 4.05Å; Y179-P222 HydrophobicContact CE1-CB 3.91Å; Y179-P222 HydrophobicContact CE1-CG 3.82Å; Y179-P222 HydrophobicContact CE2-CB 4.04Å; Y179-P222 HydrophobicContact CE2-CG 4.45Å; Y179-P222 HydrophobicContact CG-CB 3.97Å; P222-V269 HydrophobicContact CB-CG1 4.38Å; P222-V269 HydrophobicContact CB-CG2 3.88Å; P222-V269 HydrophobicContact CG-CG2 3.9Å
223V97.8Very high94.6Very high13 Ų1340.7 Ų40.78%0.07924%0.242CC..  trans-105136.5172.6175.20000108.2S193 L199 P216 H217 T236S193-V223 WeakPolarHBondContact CB-O 3.45Å; S193-V223 PolarHBondContact OG-O 3.18Å; L199-V223 HydrophobicContact CD2-CG1 3.91Å; P216-V223 HydrophobicContact CG-CG1 4.12Å; P216-V223 HydrophobicContact CG-CG2 4.39Å; H217-V223 HydrophobicContact CB-CG2 4.22Å; V223-T236 CarbonylContact C-O 3.47Å; V223-T236 VanDerWaalsContact CA-O 3.25Å; V223-T236 WeakPolarHBondContact CA-O 3.06Å; V223-T236 WeakPolarHBondContact CG1-O 3.38Å
224R98.2Very high94.7Very high24 Ų2439.1 Ų39.19%0.09124%0.235CC..EExtended strand (participates in β ladder)trans-109.8150.3166.6-62.3-74.4-175.1-117.723.2108.6D36 Y179 S235 T236 V269 L271 P272D36-R224 PolarHBondContact O-NH2 3.31Å; Y179-R224 PolarHBondContact O-NH1 2.68Å; Y179-R224 PolarHBondContact O-NH2 2.96Å; R224-S235 CarbonylContact O-C 3.48Å; R224-S235 WeakPolarHBondContact O-CA 2.76Å; R224-S235 WeakPolarHBondContact O-CB 3.48Å; R224-T236 WeakPolarHBondContact CB-OG1 3.35Å; R224-T236 PolarHBondContact N-O 2.89Å; R224-T236 PolarHBondContact O-N 2.7Å; R224-V269 HydrophobicContact CG-CG1 3.7Å; R224-L271 HydrophobicContact CG-CD2 4.29Å; R224-P272 HydrophobicContact CB-CG 4.13Å
225A97.6Very high94.7Very high2 Ų235.6 Ų35.62%0.01722%0.217CC..EExtended strand (participates in β ladder)trans-148.1145.5174.500000111.1S180 L191 L199 I233 L234S180-A225 PolarHBondContact OG-N 2.92Å; L191-A225 HydrophobicContact CD2-CB 3.69Å; L191-A225 HydrophobicContact CG-CB 4.19Å; L199-A225 HydrophobicContact CD1-CB 4.18Å; L199-A225 HydrophobicContact CD2-CB 3.86Å; A225-I233 HydrophobicContact CB-CG2 4.12Å; A225-L234 CarbonylContact C-O 3.58Å; A225-L234 VanDerWaalsContact CA-O 3.28Å; A225-L234 WeakPolarHBondContact CA-O 3.1Å
226V98.2Very high94.9Very high27 Ų2731.1 Ų31.116%0.16420%0.197CC..EExtended strand (participates in β ladder)trans-135.8151.2176.8-69.50000110.3V228 I233 L234 P272 F274 I281V226-V228 HydrophobicContact CG2-CG1 4.36Å; V226-I233 WeakPolarHBondContact O-CA 3.18Å; V226-L234 PolarHBondContact N-O 2.7Å; V226-L234 PolarHBondContact O-N 2.83Å; V226-P272 HydrophobicContact CB-CG 4.45Å; V226-P272 HydrophobicContact CG1-CB 4.34Å; V226-P272 HydrophobicContact CG1-CG 3.75Å; V226-P272 HydrophobicContact CG2-CB 3.8Å; V226-P272 HydrophobicContact CG2-CG 3.95Å; V226-F274 HydrophobicContact CG2-CB 4.31Å; V226-I281 HydrophobicContact CG2-CD1 4.14Å
227F97.5Very high94.9Very high27 Ų2730.9 Ų30.912%0.11820%0.196CC..EExtended strand (participates in β ladder)trans-69.2140.9164.8-68.7-79.5000110N184 R189 L191 V201 Q232 I233N184-F227 HydrophobicContact CB-CB 4.41Å; N184-F227 HydrophobicContact CB-CD1 4.02Å; N184-F227 HydrophobicContact CB-CD2 3.53Å; N184-F227 HydrophobicContact CB-CE1 4.09Å; N184-F227 HydrophobicContact CB-CE2 3.57Å; N184-F227 HydrophobicContact CB-CG 3.73Å; N184-F227 HydrophobicContact CB-CZ 3.86Å; R189-F227 HydrophobicContact CB-CZ 4.07Å; L191-F227 HydrophobicContact CB-CD2 3.87Å; L191-F227 HydrophobicContact CB-CE1 4.43Å; L191-F227 HydrophobicContact CB-CE2 3.25Å; L191-F227 HydrophobicContact CB-CZ 3.58Å; L191-F227 HydrophobicContact CD2-CD2 4.38Å; L191-F227 HydrophobicContact CD2-CE2 4.46Å; L191-F227 HydrophobicContact CG-CE2 4.49Å; V201-F227 HydrophobicContact CG1-CZ 4.21Å; V201-F227 HydrophobicContact CG2-CE1 4.45Å; V201-F227 HydrophobicContact CG2-CZ 4.43Å; F227-Q232 WeakPolarHBondContact CA-O 3.25Å; F227-I233 HydrophobicContact CD1-CG1 3.99Å; F227-I233 HydrophobicContact CE1-CD1 4.26Å; F227-I233 HydrophobicContact CE1-CG1 4.11Å
228V95.9Very high94.9Very high9 Ų930.7 Ų30.76%0.05520%0.195CC..  trans-121.3-178.3172-57.20000110.5V226 G230 G231 Q232 L234 L248 F274 V296V226-V228 HydrophobicContact CG2-CG1 4.36Å; V228-G230 PolarHBondContact O-N 2.88Å; V228-G231 PolarHBondContact O-N 2.85Å; V228-Q232 HydrophobicContact CG2-CB 3.69Å; V228-Q232 PolarHBondContact N-O 2.85Å; V228-L234 HydrophobicContact CG1-CB 3.64Å; V228-L248 HydrophobicContact CG2-CD1 3.64Å; V228-F274 VanDerWaalsContact CA-CE1 3.45Å; V228-F274 HydrophobicContact CB-CD1 4.17Å; V228-F274 HydrophobicContact CB-CD2 4.04Å; V228-F274 HydrophobicContact CB-CE1 3.96Å; V228-F274 HydrophobicContact CB-CE2 3.81Å; V228-F274 HydrophobicContact CB-CG 4.21Å; V228-F274 HydrophobicContact CB-CZ 3.79Å; V228-F274 HydrophobicContact CG1-CB 4.36Å; V228-F274 HydrophobicContact CG1-CD1 4.19Å; V228-F274 HydrophobicContact CG1-CD2 3.69Å; V228-F274 HydrophobicContact CG1-CE1 4.46Å; V228-F274 HydrophobicContact CG1-CE2 3.98Å; V228-F274 HydrophobicContact CG1-CG 3.8Å; V228-F274 HydrophobicContact CG1-CZ 4.36Å; V228-V296 HydrophobicContact CG2-CG1 4.19Å
229S84.2Confident95Very high45 Ų4525.8 Ų25.832%0.31517%0.173SC..G310 helixtrans-51.2140.5-179.9-71.50000112.1G231 F274S229-G231 VanDerWaalsContact C-N 3.29Å; S229-G231 PolarHBondContact O-N 2.9Å; S229-F274 VanDerWaalsContact N-CZ 3.25Å; S229-F274 WeakPolarHBondContact OG-CZ 3.18Å
230G79.4Confident95.1Very high84 Ų8435.2 Ų35.287%0.86621%0.206SC*.G310 helixtrans785.1-179.400000115.4V228 Q232V228-G230 PolarHBondContact O-N 2.88Å; G230-Q232 VanDerWaalsContact C-N 3.26Å; G230-Q232 PolarHBondContact O-N 3.02Å
231G86.8Confident95.3Very high37 Ų3737.6 Ų37.638%0.38121%0.207SC..G310 helixtrans81.83.8-179.700000114V228 S229 P251V228-G231 PolarHBondContact O-N 2.85Å; S229-G231 VanDerWaalsContact C-N 3.29Å; S229-G231 PolarHBondContact O-N 2.9Å; G231-P251 WeakPolarHBondContact O-CG 3.4Å
232Q95.1Very high95.3Very high27 Ų2735.2 Ų35.213%0.12621%0.206CC..  trans-63.5163.7169.5-67.9173.2-2400110.8F227 V228 G230 L248 W249 L258F227-Q232 WeakPolarHBondContact CA-O 3.25Å; V228-Q232 HydrophobicContact CG2-CB 3.69Å; V228-Q232 PolarHBondContact N-O 2.85Å; G230-Q232 VanDerWaalsContact C-N 3.26Å; G230-Q232 PolarHBondContact O-N 3.02Å; Q232-L248 HydrophobicContact CB-CD1 4.07Å; Q232-W249 WeakPolarHBondContact CA-O 3.45Å; Q232-W249 WeakPolarHBondContact CB-O 3.5Å; Q232-L258 VanDerWaalsContact NE2-CD1 3.26Å
233I97.6Very high95.4Very high0 Ų036.9 Ų36.90%021%0.212CC..EExtended strand (participates in β ladder)trans-121.2127.4-178.1-67.4164000108.6L191 L199 V201 A225 V226 F227 L248 W249 P251 F254L191-I233 HydrophobicContact CD1-CD1 3.9Å; L191-I233 HydrophobicContact CD1-CG1 4.47Å; L191-I233 HydrophobicContact CD1-CG2 4.27Å; L191-I233 HydrophobicContact CD2-CB 4.43Å; L191-I233 HydrophobicContact CD2-CD1 4.39Å; L191-I233 HydrophobicContact CD2-CG1 4.06Å; L191-I233 HydrophobicContact CD2-CG2 3.62Å; L199-I233 HydrophobicContact CD1-CG2 4.4Å; V201-I233 HydrophobicContact CG2-CD1 3.5Å; A225-I233 HydrophobicContact CB-CG2 4.12Å; V226-I233 WeakPolarHBondContact O-CA 3.18Å; F227-I233 HydrophobicContact CD1-CG1 3.99Å; F227-I233 HydrophobicContact CE1-CD1 4.26Å; F227-I233 HydrophobicContact CE1-CG1 4.11Å; I233-L248 CarbonylContact O-C 3.49Å; I233-L248 WeakPolarHBondContact O-CA 3.18Å; I233-W249 HydrophobicContact CB-CB 4.34Å; I233-W249 PolarHBondContact N-O 3.48Å; I233-W249 PolarHBondContact O-N 2.82Å; I233-P251 HydrophobicContact CD1-CB 4.22Å; I233-F254 HydrophobicContact CD1-CE2 3.83Å; I233-F254 HydrophobicContact CD1-CZ 3.54Å
234L98.3Very high95.4Very high0 Ų036.3 Ų36.30%021%0.208CC..EExtended strand (participates in β ladder)trans-105.2125.5170.2-174.3150000109.3A225 V226 V228 T236 V246 A247 L248 P272 I281 V296 V303A225-L234 CarbonylContact C-O 3.58Å; A225-L234 VanDerWaalsContact CA-O 3.28Å; A225-L234 WeakPolarHBondContact CA-O 3.1Å; V226-L234 PolarHBondContact N-O 2.7Å; V226-L234 PolarHBondContact O-N 2.83Å; V228-L234 HydrophobicContact CG1-CB 3.64Å; L234-T236 HydrophobicContact CD2-CG2 4.26Å; L234-V246 HydrophobicContact CD1-CG2 3.85Å; L234-V246 HydrophobicContact CD2-CG2 3.55Å; L234-V246 HydrophobicContact CG-CG2 3.75Å; L234-A247 CarbonylContact C-O 3.55Å; L234-A247 VanDerWaalsContact CA-O 3.3Å; L234-A247 WeakPolarHBondContact CA-O 2.88Å; L234-L248 HydrophobicContact CB-CD1 4.15Å; L234-P272 HydrophobicContact CD2-CB 4.44Å; L234-I281 HydrophobicContact CB-CD1 4.22Å; L234-I281 HydrophobicContact CD1-CD1 3.58Å; L234-I281 HydrophobicContact CD1-CG2 3.98Å; L234-I281 HydrophobicContact CD2-CD1 3.33Å; L234-I281 HydrophobicContact CG-CD1 3.86Å; L234-V296 HydrophobicContact CD1-CG2 4.21Å; L234-V303 HydrophobicContact CD1-CG2 4.18Å
235S98.4Very high95.4Very high0 Ų035.8 Ų35.80%021%0.207CC..EExtended strand (participates in β ladder)trans-112.7145.5175.868.80000112H217 R224 V246 A247 W249H217-S235 PolarHBondContact NE2-OG 2.72Å; R224-S235 CarbonylContact O-C 3.48Å; R224-S235 WeakPolarHBondContact O-CA 2.76Å; R224-S235 WeakPolarHBondContact O-CB 3.48Å; S235-V246 CarbonylContact O-C 3.47Å; S235-V246 WeakPolarHBondContact O-CA 3.46Å; S235-A247 PolarHBondContact N-O 2.82Å; S235-A247 PolarHBondContact O-N 2.81Å; S235-W249 PolarHBondContact OG-NE1 2.81Å
236T98.6Very high95.4Very high2 Ų235.8 Ų35.81%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-113.4140.8165.865.80000108.8V223 R224 L234 Q245 L270 P272 L283V223-T236 CarbonylContact C-O 3.47Å; V223-T236 VanDerWaalsContact CA-O 3.25Å; V223-T236 WeakPolarHBondContact CA-O 3.06Å; V223-T236 WeakPolarHBondContact CG1-O 3.38Å; R224-T236 WeakPolarHBondContact CB-OG1 3.35Å; R224-T236 PolarHBondContact N-O 2.89Å; R224-T236 PolarHBondContact O-N 2.7Å; L234-T236 HydrophobicContact CD2-CG2 4.26Å; T236-Q245 VanDerWaalsContact CA-O 3.28Å; T236-Q245 WeakPolarHBondContact CA-O 3.22Å; T236-L270 HydrophobicContact CG2-CB 4.02Å; T236-L270 PolarHBondContact OG1-O 3.45Å; T236-P272 HydrophobicContact CG2-CB 4.42Å; T236-L283 HydrophobicContact CG2-CD1 4.3Å; T236-L283 HydrophobicContact CG2-CD2 3.77Å
237G98Very high95.4Very high3 Ų334.5 Ų34.53%0.03120%0.199CC..EExtended strand (participates in β ladder)trans-168.1-153.6-177.900000110.8H217 R244 Q245H217-G237 PolarHBondContact NE2-N 3.36Å; G237-R244 WeakPolarHBondContact O-CA 3.37Å; G237-Q245 PolarHBondContact N-O 2.87Å; G237-Q245 PolarHBondContact O-N 3.29Å
238F98.3Very high95.4Very high3 Ų333.2 Ų33.21%0.01319%0.193CC..EExtended strand (participates in β ladder)trans-134.8142.1-173.5-64.8-100.9000111.4H217 G219 R221 E243 R244 S266 V269H217-F238 WeakPolarHBondContact CB-O 3.34Å; G219-F238 WeakPolarHBondContact CA-O 3.18Å; G219-F238 PolarHBondContact N-O 2.86Å; R221-F238 HydrophobicContact CB-CB 4.15Å; R221-F238 HydrophobicContact CB-CD1 4.27Å; R221-F238 HydrophobicContact CB-CD2 3.2Å; R221-F238 HydrophobicContact CB-CE1 4.47Å; R221-F238 HydrophobicContact CB-CE2 3.5Å; R221-F238 HydrophobicContact CB-CG 3.63Å; R221-F238 HydrophobicContact CB-CZ 4.14Å; R221-F238 VanDerWaalsContact CD-CD1 3.4Å; R221-F238 HydrophobicContact CG-CD1 4.44Å; R221-F238 HydrophobicContact CG-CD2 4.19Å; R221-F238 HydrophobicContact CG-CE2 4.35Å; R221-F238 HydrophobicContact CG-CG 4.22Å; F238-E243 CarbonylContact C-O 3.53Å; F238-E243 WeakPolarHBondContact CA-O 3.49Å; F238-R244 HydrophobicContact CD1-CG 3.99Å; F238-R244 HydrophobicContact CE1-CG 3.58Å; F238-R244 HydrophobicContact CZ-CG 4.18Å; F238-S266 WeakPolarHBondContact CE1-O 3.44Å; F238-V269 HydrophobicContact CE2-CG2 4.4Å
239S97.8Very high95.5Very high7 Ų733 Ų335%0.04919%0.192CC..  trans-66.6168.6168.585.70000110.4G219 M241 S242 E243 Q245G219-S239 VanDerWaalsContact CA-O 3.31Å; G219-S239 WeakPolarHBondContact CA-O 3.32Å; S239-M241 PolarHBondContact O-N 2.92Å; S239-M241 PolarHBondContact OG-N 2.9Å; S239-M241 VanDerWaalsContact OG-N 3.1Å; S239-S242 PolarHBondContact O-N 3.38Å; S239-S242 PolarHBondContact OG-N 3.32Å; S239-E243 WeakPolarHBondContact CB-OE2 3.31Å; S239-E243 PolarHBondContact N-O 2.99Å; S239-E243 WeakPolarHBondContact OG-CB 3.38Å; S239-E243 PolarHBondContact OG-N 3.33Å; S239-E243 PolarHBondContact OG-OE2 2.9Å; S239-Q245 VanDerWaalsContact CB-NE2 3.26Å
240R96.3Very high95.9Very high209 Ų20933.1 Ų33.179%0.78919%0.188SC*.THydrogen-bonded Turntrans-57.7-30.5170.9-175.3174.7177.5174-0.8112.1E218 S242E218-R240 HydrophobicContact CB-CB 4.11Å; R240-S242 PolarHBondContact O-N 3.15Å
241M95.8Very high96.3Very high149 Ų14929.8 Ų29.873%0.73415%0.151SC*.THydrogen-bonded Turntrans-87.310.2177.7-60.7-57-66.400112.9S239 E243S239-M241 PolarHBondContact O-N 2.92Å; S239-M241 PolarHBondContact OG-N 2.9Å; S239-M241 VanDerWaalsContact OG-N 3.1Å; M241-E243 VanDerWaalsContact C-N 3.34Å
242S95.7Very high96.3Very high49 Ų4934.2 Ų34.234%0.34317%0.167SC..  trans65.327.2-178.2-57.40000115.2S239 R240S239-S242 PolarHBondContact O-N 3.38Å; S239-S242 PolarHBondContact OG-N 3.32Å; R240-S242 PolarHBondContact O-N 3.15Å
243E97.9Very high95.9Very high57 Ų5738.1 Ų38.127%0.26619%0.188SC..  trans-80.2134.5167.1-64.3141.5150.100109.9F238 S239 M241 Q245 D264 T265F238-E243 CarbonylContact C-O 3.53Å; F238-E243 WeakPolarHBondContact CA-O 3.49Å; S239-E243 WeakPolarHBondContact CB-OE2 3.31Å; S239-E243 PolarHBondContact N-O 2.99Å; S239-E243 WeakPolarHBondContact OG-CB 3.38Å; S239-E243 PolarHBondContact OG-N 3.33Å; S239-E243 PolarHBondContact OG-OE2 2.9Å; M241-E243 VanDerWaalsContact C-N 3.34Å; E243-Q245 PolarHBondContact O-N 2.79Å; E243-D264 CarbonylContact C-O 3.57Å; E243-D264 VanDerWaalsContact CA-O 3.31Å; E243-D264 WeakPolarHBondContact CA-O 3.48Å; E243-T265 HydrophobicContact CG-CG2 3.75Å
244R98.3Very high95.2Very high2 Ų239.3 Ų39.31%0.00819%0.194CC..EExtended strand (participates in β ladder)trans-66.1132.8173.5-59.5-161.8-66-176.7-9.6109.8G237 F238 L263 D264 S266 G268 L270 D288G237-R244 WeakPolarHBondContact O-CA 3.37Å; F238-R244 HydrophobicContact CD1-CG 3.99Å; F238-R244 HydrophobicContact CE1-CG 3.58Å; F238-R244 HydrophobicContact CZ-CG 4.18Å; R244-L263 HydrophobicContact CB-CB 4.35Å; R244-L263 WeakPolarHBondContact O-CB 3.48Å; R244-L263 PolarHBondContact O-N 3.3Å; R244-D264 IonicContact CZ-OD1 2.7Å; R244-D264 IonicContact CZ-OD2 3.34Å; R244-D264 PolarHBondContact N-O 3.06Å; R244-D264 IonicContact NE-OD1 3.87Å; R244-D264 PolarHBondContact NE-OD1 2.85Å; R244-D264 IonicContact NE-OD2 3.25Å; R244-D264 IonicContact NH2-OD1 2.7Å; R244-D264 PolarHBondContact NH2-OD1 3.48Å; R244-D264 IonicContact NH2-OD2 3.39Å; R244-D264 PolarHBondContact NH2-OD2 2.89Å; R244-S266 WeakPolarHBondContact CD-O 3.48Å; R244-S266 VanDerWaalsContact CG-O 3.25Å; R244-S266 WeakPolarHBondContact CG-O 3.39Å; R244-S266 PolarHBondContact NH2-OG 2.95Å; R244-G268 WeakPolarHBondContact CD-O 3.42Å; R244-G268 PolarHBondContact NH1-O 2.95Å; R244-L270 HydrophobicContact CB-CD1 3.98Å; R244-D288 IonicContact CZ-OD1 3.49Å; R244-D288 IonicContact CZ-OD2 2.78Å; R244-D288 VanDerWaalsContact NH1-CG 3.34Å; R244-D288 IonicContact NH1-OD1 3.48Å; R244-D288 PolarHBondContact NH1-OD1 3.32Å; R244-D288 VanDerWaalsContact NH1-OD1 3.15Å; R244-D288 IonicContact NH1-OD2 3.52Å; R244-D288 PolarHBondContact NH1-OD2 3.22Å; R244-D288 IonicContact NH2-OD1 3.96Å; R244-D288 PolarHBondContact NH2-OD1 2.9Å; R244-D288 IonicContact NH2-OD2 2.73Å; R244-D288 PolarHBondContact NH2-OD2 3.39Å
245Q98.3Very high94.7Very high13 Ų1341 Ų416%0.06121%0.211CC..EExtended strand (participates in β ladder)trans-125.7148.7-176.4-73.1177.5-24.800110.7H217 T236 G237 S239 E243 L260 Q261 E262H217-Q245 PolarHBondContact ND1-OE1 2.88Å; H217-Q245 VanDerWaalsContact ND1-OE1 3.16Å; T236-Q245 VanDerWaalsContact CA-O 3.28Å; T236-Q245 WeakPolarHBondContact CA-O 3.22Å; G237-Q245 PolarHBondContact N-O 2.87Å; G237-Q245 PolarHBondContact O-N 3.29Å; S239-Q245 VanDerWaalsContact CB-NE2 3.26Å; E243-Q245 PolarHBondContact O-N 2.79Å; Q245-L260 HydrophobicContact CB-CD1 4.04Å; Q245-L260 HydrophobicContact CG-CD1 4.31Å; Q245-Q261 CarbonylContact C-O 3.56Å; Q245-Q261 VanDerWaalsContact CA-O 3.28Å; Q245-Q261 WeakPolarHBondContact CA-O 3.35Å; Q245-E262 HydrophobicContact CG-CG 3.89Å; Q245-E262 PolarHBondContact NE2-OE1 2.98Å
246V98.2Very high94.4Very high1 Ų148.4 Ų48.41%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-119.7132.3164.161.30000108.9L234 S235 L260 Q261 L263 L283L234-V246 HydrophobicContact CD1-CG2 3.85Å; L234-V246 HydrophobicContact CD2-CG2 3.55Å; L234-V246 HydrophobicContact CG-CG2 3.75Å; S235-V246 CarbonylContact O-C 3.47Å; S235-V246 WeakPolarHBondContact O-CA 3.46Å; V246-L260 WeakPolarHBondContact O-CA 3.46Å; V246-Q261 HydrophobicContact CG1-CB 3.79Å; V246-Q261 PolarHBondContact N-O 3.29Å; V246-Q261 PolarHBondContact O-N 2.83Å; V246-L263 HydrophobicContact CB-CD1 4.5Å; V246-L263 HydrophobicContact CG1-CD1 4.43Å; V246-L263 HydrophobicContact CG1-CD2 4.19Å; V246-L263 HydrophobicContact CG1-CG 4.48Å; V246-L283 HydrophobicContact CB-CD1 4.2Å; V246-L283 HydrophobicContact CG2-CD1 4.27Å
247A98Very high94.2Very high0 Ų049.8 Ų49.80%025%0.254CS..EExtended strand (participates in β ladder)trans-130.9142179.900000110.9L234 S235 W249 P257 T259 L260L234-A247 CarbonylContact C-O 3.55Å; L234-A247 VanDerWaalsContact CA-O 3.3Å; L234-A247 WeakPolarHBondContact CA-O 2.88Å; S235-A247 PolarHBondContact N-O 2.82Å; S235-A247 PolarHBondContact O-N 2.81Å; A247-W249 HydrophobicContact CB-CZ2 3.75Å; A247-P257 HydrophobicContact CB-CB 4.31Å; A247-T259 CarbonylContact C-O 3.57Å; A247-T259 VanDerWaalsContact CA-O 3.23Å; A247-T259 WeakPolarHBondContact CA-O 3.39Å; A247-L260 HydrophobicContact CB-CD1 3.73Å
248L97.6Very high94.1Very high0 Ų052.4 Ų52.40%027%0.268CS..EExtended strand (participates in β ladder)trans-109.8135.1172.3-172.170.4000109.5V228 Q232 I233 L234 P257 L258 T259 V296 Y302 V303V228-L248 HydrophobicContact CG2-CD1 3.64Å; Q232-L248 HydrophobicContact CB-CD1 4.07Å; I233-L248 CarbonylContact O-C 3.49Å; I233-L248 WeakPolarHBondContact O-CA 3.18Å; L234-L248 HydrophobicContact CB-CD1 4.15Å; L248-P257 CarbonylContact O-C 3.57Å; L248-P257 WeakPolarHBondContact O-CA 3.39Å; L248-P257 WeakPolarHBondContact O-CB 3.38Å; L248-L258 HydrophobicContact CB-CB 4.37Å; L248-L258 HydrophobicContact CD2-CB 4.31Å; L248-L258 HydrophobicContact CD2-CD1 3.97Å; L248-L258 HydrophobicContact CG-CB 4.45Å; L248-L258 HydrophobicContact CG-CD1 4.16Å; L248-L258 PolarHBondContact O-N 3.31Å; L248-T259 HydrophobicContact CB-CG2 3.74Å; L248-T259 PolarHBondContact N-O 2.8Å; L248-V296 HydrophobicContact CD1-CG1 4.28Å; L248-V296 HydrophobicContact CD2-CG1 4.28Å; L248-Y302 VanDerWaalsContact CD2-CB 3.49Å; L248-Y302 HydrophobicContact CD2-CG 4.28Å; L248-V303 HydrophobicContact CB-CG2 3.95Å; L248-V303 HydrophobicContact CD2-CG2 4.12Å; L248-V303 HydrophobicContact CG-CG2 4.45Å
249W96.7Very high94Very high6 Ų653.2 Ų53.22%0.02327%0.273CS..EExtended strand (participates in β ladder)trans-127.9138.9-174.8-5290.7000110.5K213 P216 Q232 I233 S235 A247 F254 P257K213-W249 HydrophobicContact CD-CE3 4.16Å; K213-W249 HydrophobicContact CD-CH2 4.31Å; K213-W249 HydrophobicContact CD-CZ3 3.83Å; K213-W249 HydrophobicContact CG-CE3 4.46Å; K213-W249 HydrophobicContact CG-CZ3 4.35Å; P216-W249 HydrophobicContact CB-CH2 4.49Å; P216-W249 HydrophobicContact CB-CZ2 3.79Å; P216-W249 VanDerWaalsContact O-CZ2 3.24Å; P216-W249 WeakPolarHBondContact O-CZ2 3.41Å; Q232-W249 WeakPolarHBondContact CA-O 3.45Å; Q232-W249 WeakPolarHBondContact CB-O 3.5Å; I233-W249 HydrophobicContact CB-CB 4.34Å; I233-W249 PolarHBondContact N-O 3.48Å; I233-W249 PolarHBondContact O-N 2.82Å; S235-W249 PolarHBondContact OG-NE1 2.81Å; A247-W249 HydrophobicContact CB-CZ2 3.75Å; W249-F254 HydrophobicContact CB-CD2 3.92Å; W249-F254 HydrophobicContact CB-CE2 3.56Å; W249-F254 HydrophobicContact CG-CE2 4.28Å; W249-P257 HydrophobicContact CD2-CB 4.11Å; W249-P257 HydrophobicContact CE3-CB 3.87Å; W249-P257 HydrophobicContact CH2-CB 3.72Å; W249-P257 HydrophobicContact CH2-CG 3.87Å; W249-P257 HydrophobicContact CZ2-CB 3.95Å; W249-P257 HydrophobicContact CZ2-CG 4.42Å; W249-P257 HydrophobicContact CZ3-CB 3.68Å; W249-P257 VanDerWaalsContact CZ3-CD 3.49Å; W249-P257 HydrophobicContact CZ3-CG 4.03Å; W249-P257 VanDerWaalsContact CZ3-N 3.33Å
250D93Very high94Very high46 Ų4656.7 Ų56.725%0.24629%0.29CS..  trans-91.6115.4163.7179.2-0.2000108.6N252 N253 F254 L258D250-N252 PolarHBondContact O-N 3.1Å; D250-N252 WeakPolarHBondContact OD1-CB 3.3Å; D250-N252 PolarHBondContact OD1-N 3.2Å; D250-N252 PolarHBondContact OD1-ND2 2.91Å; D250-N253 CarbonylContact O-C 3.6Å; D250-N253 PolarHBondContact O-N 2.58Å; D250-F254 WeakPolarHBondContact O-CD2 3.42Å; D250-F254 PolarHBondContact O-N 3.4Å; D250-L258 HydrophobicContact CB-CD1 4.22Å; D250-L258 HydrophobicContact CB-CG 4.45Å
251P87.9Confident94Very high14 Ų1448.9 Ų48.99%0.09126%0.263CS..G310 helixtrans-59-26.4178.725.6-35.2000113.6F211 G231 I233 N253 F254F211-P251 WeakPolarHBondContact CD1-O 3.24Å; F211-P251 HydrophobicContact CD2-CB 4.28Å; F211-P251 HydrophobicContact CG-CB 4.42Å; G231-P251 WeakPolarHBondContact O-CG 3.4Å; I233-P251 HydrophobicContact CD1-CB 4.22Å; P251-N253 VanDerWaalsContact C-N 3.25Å; P251-N253 PolarHBondContact O-N 2.71Å; P251-F254 VanDerWaalsContact CA-CD2 3.49Å; P251-F254 HydrophobicContact CB-CD2 4.49Å; P251-F254 HydrophobicContact CB-CE2 4.25Å
252N86.3Confident94.1Very high131 Ų13147.5 Ų47.570%0.70125%0.254SS*.G310 helixtrans-74.4-20176.9-55.4-64.5000112.3D250D250-N252 PolarHBondContact O-N 3.1Å; D250-N252 WeakPolarHBondContact OD1-CB 3.3Å; D250-N252 PolarHBondContact OD1-N 3.2Å; D250-N252 PolarHBondContact OD1-ND2 2.91Å
253N86.7Confident94.2Very high109 Ų10947.2 Ų47.258%0.58325%0.249SC*.G310 helixtrans-136.665.8177.3-171.812.3000110.6D250 P251 G255D250-N253 CarbonylContact O-C 3.6Å; D250-N253 PolarHBondContact O-N 2.58Å; P251-N253 VanDerWaalsContact C-N 3.25Å; P251-N253 PolarHBondContact O-N 2.71Å; N253-G255 PolarHBondContact O-N 3.33Å
254F83.6Confident94Very high25 Ų2546 Ų4611%0.1124%0.244CC..  trans-72.521.2-177.2-113-161.9000114.8F211 E212 K213 I233 W249 D250 P251F211-F254 HydrophobicContact CB-CD1 4.28Å; F211-F254 HydrophobicContact CB-CE1 4.37Å; E212-F254 VanDerWaalsContact C-CD1 3.41Å; K213-F254 HydrophobicContact CB-CD1 3.39Å; K213-F254 HydrophobicContact CB-CE1 3.41Å; K213-F254 VanDerWaalsContact CB-CE1 3.41Å; K213-F254 HydrophobicContact CB-CG 3.94Å; K213-F254 HydrophobicContact CB-CZ 4.04Å; K213-F254 WeakPolarHBondContact CD-O 3.46Å; K213-F254 VanDerWaalsContact N-CD1 3.35Å; I233-F254 HydrophobicContact CD1-CE2 3.83Å; I233-F254 HydrophobicContact CD1-CZ 3.54Å; W249-F254 HydrophobicContact CB-CD2 3.92Å; W249-F254 HydrophobicContact CB-CE2 3.56Å; W249-F254 HydrophobicContact CG-CE2 4.28Å; D250-F254 WeakPolarHBondContact O-CD2 3.42Å; D250-F254 PolarHBondContact O-N 3.4Å; P251-F254 VanDerWaalsContact CA-CD2 3.49Å; P251-F254 HydrophobicContact CB-CD2 4.49Å; P251-F254 HydrophobicContact CB-CE2 4.25Å
255G87.5Confident93.9Very high36 Ų3651.3 Ų51.337%0.37128%0.277SS..SBendtrans-72.3-82.6175.600000111.9K213 N253K213-G255 PolarHBondContact NZ-O 3.35Å; N253-G255 PolarHBondContact O-N 3.33Å
256E91.8Very high93.7Very high155 Ų15552.9 Ų52.972%0.72429%0.289SS*.SBendtrans-102.6148.7179-68.9-60.6143.300111
257P95.7Very high93.4Very high30 Ų3056.5 Ų56.520%0.19532%0.315CS..  trans-67.3143.7174.328.6-31.5000110.3A247 L248 W249 T259 L260A247-P257 HydrophobicContact CB-CB 4.31Å; L248-P257 CarbonylContact O-C 3.57Å; L248-P257 WeakPolarHBondContact O-CA 3.39Å; L248-P257 WeakPolarHBondContact O-CB 3.38Å; W249-P257 HydrophobicContact CD2-CB 4.11Å; W249-P257 HydrophobicContact CE3-CB 3.87Å; W249-P257 HydrophobicContact CH2-CB 3.72Å; W249-P257 HydrophobicContact CH2-CG 3.87Å; W249-P257 HydrophobicContact CZ2-CB 3.95Å; W249-P257 HydrophobicContact CZ2-CG 4.42Å; W249-P257 HydrophobicContact CZ3-CB 3.68Å; W249-P257 VanDerWaalsContact CZ3-CD 3.49Å; W249-P257 HydrophobicContact CZ3-CG 4.03Å; W249-P257 VanDerWaalsContact CZ3-N 3.33Å; P257-T259 PolarHBondContact O-N 2.91Å; P257-L260 HydrophobicContact CG-CB 4.08Å
258L95Very high93.2Very high59 Ų5957.1 Ų57.131%0.30932%0.322SS..SBendtrans-60.8-33.4170.4-65.8176.9000111.4Q232 L248 D250 Y302Q232-L258 VanDerWaalsContact NE2-CD1 3.26Å; L248-L258 HydrophobicContact CB-CB 4.37Å; L248-L258 HydrophobicContact CD2-CB 4.31Å; L248-L258 HydrophobicContact CD2-CD1 3.97Å; L248-L258 HydrophobicContact CG-CB 4.45Å; L248-L258 HydrophobicContact CG-CD1 4.16Å; L248-L258 PolarHBondContact O-N 3.31Å; D250-L258 HydrophobicContact CB-CD1 4.22Å; D250-L258 HydrophobicContact CB-CG 4.45Å; L258-Y302 HydrophobicContact CB-CD2 3.88Å; L258-Y302 HydrophobicContact CB-CE2 4.1Å; L258-Y302 HydrophobicContact CB-CG 4.47Å
259T96.3Very high93.2Very high19 Ų1957.7 Ų57.712%0.11733%0.325CS..EExtended strand (participates in β ladder)trans-155144.5173.5-159.80000109.4A247 L248 P257 P301 V303A247-T259 CarbonylContact C-O 3.57Å; A247-T259 VanDerWaalsContact CA-O 3.23Å; A247-T259 WeakPolarHBondContact CA-O 3.39Å; L248-T259 HydrophobicContact CB-CG2 3.74Å; L248-T259 PolarHBondContact N-O 2.8Å; P257-T259 PolarHBondContact O-N 2.91Å; T259-P301 WeakPolarHBondContact CB-O 3.27Å; T259-P301 WeakPolarHBondContact CG2-O 3.49Å; T259-P301 PolarHBondContact OG1-O 3.42Å; T259-V303 HydrophobicContact CG2-CB 3.75Å; T259-V303 HydrophobicContact CG2-CG2 3.52Å
260L97.3Very high93.2Very high81 Ų8157.7 Ų57.742%0.42433%0.325SS..EExtended strand (participates in β ladder)trans-134122.2172.6177.169.2000107.3Q245 V246 A247 P257Q245-L260 HydrophobicContact CB-CD1 4.04Å; Q245-L260 HydrophobicContact CG-CD1 4.31Å; V246-L260 WeakPolarHBondContact O-CA 3.46Å; A247-L260 HydrophobicContact CB-CD1 3.73Å; P257-L260 HydrophobicContact CG-CB 4.08Å
261Q97.3Very high93.4Very high45 Ų4556 Ų5621%0.2132%0.316CS..EExtended strand (participates in β ladder)trans-124.3129.7-179.6-59.6177.227.600109.8Q245 V246 V303Q245-Q261 CarbonylContact C-O 3.56Å; Q245-Q261 VanDerWaalsContact CA-O 3.28Å; Q245-Q261 WeakPolarHBondContact CA-O 3.35Å; V246-Q261 HydrophobicContact CG1-CB 3.79Å; V246-Q261 PolarHBondContact N-O 3.29Å; V246-Q261 PolarHBondContact O-N 2.83Å; Q261-V303 PolarHBondContact NE2-O 2.65Å
262E97.4Very high93.9Very high119 Ų11956.1 Ų56.156%0.55632%0.317SS*.EExtended strand (participates in β ladder)trans-85.7139.5170.6-70.3169.8175.300109.6Q245Q245-E262 HydrophobicContact CG-CG 3.89Å; Q245-E262 PolarHBondContact NE2-OE1 2.98Å
263L96.7Very high94.5Very high43 Ų4350.8 Ų50.823%0.22529%0.288CS..  trans-110.6-68.8-171.6-58.6178.5000111.8R244 V246 L270 L283 F294R244-L263 HydrophobicContact CB-CB 4.35Å; R244-L263 WeakPolarHBondContact O-CB 3.48Å; R244-L263 PolarHBondContact O-N 3.3Å; V246-L263 HydrophobicContact CB-CD1 4.5Å; V246-L263 HydrophobicContact CG1-CD1 4.43Å; V246-L263 HydrophobicContact CG1-CD2 4.19Å; V246-L263 HydrophobicContact CG1-CG 4.48Å; L263-L270 HydrophobicContact CD1-CD1 3.47Å; L263-L270 VanDerWaalsContact CD1-CD1 3.47Å; L263-L283 HydrophobicContact CD1-CD1 3.97Å; L263-F294 HydrophobicContact CD2-CE1 4.3Å; L263-F294 HydrophobicContact CD2-CZ 3.64Å
264D95.5Very high95Very high32 Ų3247.3 Ų47.317%0.17127%0.267CS..  trans-159.7179.5-179.56548.4000110.6E243 R244 S266 R292E243-D264 CarbonylContact C-O 3.57Å; E243-D264 VanDerWaalsContact CA-O 3.31Å; E243-D264 WeakPolarHBondContact CA-O 3.48Å; R244-D264 IonicContact CZ-OD1 2.7Å; R244-D264 IonicContact CZ-OD2 3.34Å; R244-D264 PolarHBondContact N-O 3.06Å; R244-D264 IonicContact NE-OD1 3.87Å; R244-D264 PolarHBondContact NE-OD1 2.85Å; R244-D264 IonicContact NE-OD2 3.25Å; R244-D264 IonicContact NH2-OD1 2.7Å; R244-D264 PolarHBondContact NH2-OD1 3.48Å; R244-D264 IonicContact NH2-OD2 3.39Å; R244-D264 PolarHBondContact NH2-OD2 2.89Å; D264-S266 VanDerWaalsContact CG-OG 3.28Å; D264-S266 WeakPolarHBondContact OD1-CB 3.2Å; D264-S266 PolarHBondContact OD1-N 2.85Å; D264-S266 PolarHBondContact OD1-OG 2.92Å; D264-R292 IonicContact OD2-CZ 3.85Å; D264-R292 IonicContact OD2-NH1 2.68Å; D264-R292 PolarHBondContact OD2-NH1 2.65Å; D264-R292 IonicContact OD2-NH2 2.88Å; D264-R292 PolarHBondContact OD2-NH2 3.22Å
265T94.9Very high95.7Very high113 Ų11346.1 Ų46.169%0.69326%0.262SS*.  trans-100.219.7-177.852.30000114E243E243-T265 HydrophobicContact CG-CG2 3.75Å
266S94.5Very high96.1Very high46 Ų4646.6 Ų46.632%0.32226%0.259SS..  trans-71.4152.8-179.6-42.80000111F238 R244 D264F238-S266 WeakPolarHBondContact CE1-O 3.44Å; R244-S266 WeakPolarHBondContact CD-O 3.48Å; R244-S266 VanDerWaalsContact CG-O 3.25Å; R244-S266 WeakPolarHBondContact CG-O 3.39Å; R244-S266 PolarHBondContact NH2-OG 2.95Å; D264-S266 VanDerWaalsContact CG-OG 3.28Å; D264-S266 WeakPolarHBondContact OD1-CB 3.2Å; D264-S266 PolarHBondContact OD1-N 2.85Å; D264-S266 PolarHBondContact OD1-OG 2.92Å
267S92.4Very high96.3Very high77 Ų7740.3 Ų40.354%0.53823%0.23SC..  trans-88.1-15.3-175.457.20000115R221R221-S267 PolarHBondContact NH1-O 3.27Å
268G93.6Very high96.3Very high14 Ų1439.5 Ų39.514%0.14423%0.225CC..SBendtrans-72.1131.9-175.700000112.7R244 L270R244-G268 WeakPolarHBondContact CD-O 3.42Å; R244-G268 PolarHBondContact NH1-O 2.95Å; G268-L270 PolarHBondContact O-N 3.28Å
269V96.8Very high96.4Very high12 Ų1237 Ų377%0.07321%0.213CC..PPolyproline II helixtrans-63.9126.2175.6-1790000109.1P222 R224 F238 G285P222-V269 HydrophobicContact CB-CG1 4.38Å; P222-V269 HydrophobicContact CB-CG2 3.88Å; P222-V269 HydrophobicContact CG-CG2 3.9Å; R224-V269 HydrophobicContact CG-CG1 3.7Å; F238-V269 HydrophobicContact CE2-CG2 4.4Å; V269-G285 WeakPolarHBondContact O-CA 3.36Å
270L97.8Very high96.5Very high5 Ų536.1 Ų36.13%0.02621%0.208CC..EExtended strand (participates in β ladder)trans-80.7123.4177-73.6169.6000110.3T236 R244 L263 G268 P272 L283T236-L270 HydrophobicContact CG2-CB 4.02Å; T236-L270 PolarHBondContact OG1-O 3.45Å; R244-L270 HydrophobicContact CB-CD1 3.98Å; L263-L270 HydrophobicContact CD1-CD1 3.47Å; L263-L270 VanDerWaalsContact CD1-CD1 3.47Å; G268-L270 PolarHBondContact O-N 3.28Å; L270-P272 WeakPolarHBondContact O-CD 3.32Å; L270-L283 HydrophobicContact CD1-CD1 4.4Å; L270-L283 HydrophobicContact CD2-CB 4.19Å
271L97.2Very high96.5Very high10 Ų1032.2 Ų32.25%0.05219%0.188CC..EExtended strand (participates in β ladder)trans-90.1116.8173.8-56.6173000108.7N38 R224 F273 C284N38-L271 WeakPolarHBondContact OD1-CD1 3.32Å; R224-L271 HydrophobicContact CG-CD2 4.29Å; L271-F273 HydrophobicContact CB-CE2 3.73Å; L271-F273 HydrophobicContact CB-CZ 4.25Å; L271-F273 WeakPolarHBondContact O-CD2 3.45Å; L271-C284 WeakPolarHBondContact CB-O 3.49Å; L271-C284 PolarHBondContact N-O 3.39Å; L271-C284 PolarHBondContact O-N 2.85Å
272P98.1Very high96.6Very high18 Ų1830.1 Ų30.112%0.11718%0.178CC..EExtended strand (participates in β ladder)trans-82.3127175.830.1-32.1000111.9R224 V226 L234 T236 L270 I281 L283R224-P272 HydrophobicContact CB-CG 4.13Å; V226-P272 HydrophobicContact CB-CG 4.45Å; V226-P272 HydrophobicContact CG1-CB 4.34Å; V226-P272 HydrophobicContact CG1-CG 3.75Å; V226-P272 HydrophobicContact CG2-CB 3.8Å; V226-P272 HydrophobicContact CG2-CG 3.95Å; L234-P272 HydrophobicContact CD2-CB 4.44Å; T236-P272 HydrophobicContact CG2-CB 4.42Å; L270-P272 WeakPolarHBondContact O-CD 3.32Å; P272-I281 HydrophobicContact CB-CD1 3.78Å; P272-I281 HydrophobicContact CB-CG1 4.33Å; P272-L283 HydrophobicContact CB-CD2 3.92Å
273F98.2Very high96.6Very high19 Ų1924.5 Ų24.58%0.08315%0.151CC..EExtended strand (participates in β ladder)trans-115.9103.8170.8-61.4-93.7000108.5L271 I281 Y282 C284 M318 Y320 F336L271-F273 HydrophobicContact CB-CE2 3.73Å; L271-F273 HydrophobicContact CB-CZ 4.25Å; L271-F273 WeakPolarHBondContact O-CD2 3.45Å; F273-I281 WeakPolarHBondContact O-CA 3.41Å; F273-Y282 PolarHBondContact N-O 2.9Å; F273-Y282 PolarHBondContact O-N 3.24Å; F273-C284 VanDerWaalsContact CE2-SG 3.53Å; F273-M318 HydrophobicContact CE2-CB 4.5Å; F273-M318 HydrophobicContact CE2-CG 4.38Å; F273-M318 HydrophobicContact CZ-CB 4.24Å; F273-M318 HydrophobicContact CZ-CG 4.31Å; F273-Y320 HydrophobicContact CB-CD2 4.33Å; F273-Y320 HydrophobicContact CB-CG 4.49Å; F273-Y320 HydrophobicContact CD1-CD2 4.41Å; F273-Y320 AromaticContact CD1-CG 3.95Å; F273-Y320 HydrophobicContact CD1-CG 3.95Å; F273-F336 HydrophobicContact CB-CE1 4.35Å; F273-F336 HydrophobicContact CD2-CE1 4.13Å; F273-F336 HydrophobicContact CG-CE1 4.12Å
274F98Very high96.6Very high35 Ų3522.4 Ų22.415%0.15414%0.141CC..EExtended strand (participates in β ladder)trans-94.7131.4-178.6-179.5-112.5000111.3V226 V228 S229 P276 I281 V296V226-F274 HydrophobicContact CG2-CB 4.31Å; V228-F274 VanDerWaalsContact CA-CE1 3.45Å; V228-F274 HydrophobicContact CB-CD1 4.17Å; V228-F274 HydrophobicContact CB-CD2 4.04Å; V228-F274 HydrophobicContact CB-CE1 3.96Å; V228-F274 HydrophobicContact CB-CE2 3.81Å; V228-F274 HydrophobicContact CB-CG 4.21Å; V228-F274 HydrophobicContact CB-CZ 3.79Å; V228-F274 HydrophobicContact CG1-CB 4.36Å; V228-F274 HydrophobicContact CG1-CD1 4.19Å; V228-F274 HydrophobicContact CG1-CD2 3.69Å; V228-F274 HydrophobicContact CG1-CE1 4.46Å; V228-F274 HydrophobicContact CG1-CE2 3.98Å; V228-F274 HydrophobicContact CG1-CG 3.8Å; V228-F274 HydrophobicContact CG1-CZ 4.36Å; S229-F274 VanDerWaalsContact N-CZ 3.25Å; S229-F274 WeakPolarHBondContact OG-CZ 3.18Å; F274-P276 HydrophobicContact CD1-CB 4.44Å; F274-P276 HydrophobicContact CE1-CB 3.91Å; F274-I281 HydrophobicContact CB-CD1 4.44Å; F274-I281 HydrophobicContact CB-CG1 4.49Å; F274-I281 HydrophobicContact CD2-CB 4.12Å; F274-V296 HydrophobicContact CE2-CB 4.46Å; F274-V296 HydrophobicContact CE2-CG2 4.33Å
275D97.8Very high96.5Very high1 Ų120.9 Ų20.91%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-102.7105.6173.4177.55.7000109.9D277 T278 G279 I280 K323D275-D277 PolarHBondContact O-N 3.26Å; D275-D277 PolarHBondContact OD1-N 3.13Å; D275-T278 WeakPolarHBondContact CB-OG1 3.36Å; D275-T278 PolarHBondContact O-N 3.36Å; D275-T278 WeakPolarHBondContact OD2-CB 3.47Å; D275-T278 WeakPolarHBondContact OD2-CG2 3.41Å; D275-T278 PolarHBondContact OD2-OG1 3.21Å; D275-G279 WeakPolarHBondContact O-CA 3.49Å; D275-G279 PolarHBondContact O-N 3.06Å; D275-I280 WeakPolarHBondContact CB-O 3.2Å; D275-I280 PolarHBondContact N-O 2.96Å; D275-K323 WeakPolarHBondContact OD1-CE 3.46Å; D275-K323 IonicContact OD1-NZ 3.07Å; D275-K323 PolarHBondContact OD1-NZ 2.87Å; D275-K323 VanDerWaalsContact OD1-NZ 3.13Å; D275-K323 WeakPolarHBondContact OD2-CE 3.34Å; D275-K323 IonicContact OD2-NZ 3.09Å; D275-K323 PolarHBondContact OD2-NZ 2.56Å
276P95.3Very high96.5Very high46 Ų4617.5 Ų17.530%0.29911%0.108SC..THydrogen-bonded Turntrans-69.2-20-177.229.5-35.7000113.7F274F274-P276 HydrophobicContact CD1-CB 4.44Å; F274-P276 HydrophobicContact CE1-CB 3.91Å
277D96.1Very high96.5Very high22 Ų2217.8 Ų17.812%0.11812%0.119CC..THydrogen-bonded Turntrans-80.6-33.1-176.9-62.3-14.9000111.3D275 K323 P364 T366D275-D277 PolarHBondContact O-N 3.26Å; D275-D277 PolarHBondContact OD1-N 3.13Å; D277-K323 WeakPolarHBondContact OD2-CD 3.17Å; D277-K323 VanDerWaalsContact OD2-CE 3.31Å; D277-K323 WeakPolarHBondContact OD2-CE 3.41Å; D277-K323 WeakPolarHBondContact OD2-CG 3.46Å; D277-P364 HydrophobicContact CB-CG 3.8Å; D277-T366 WeakPolarHBondContact OD2-CB 3.41Å; D277-T366 PolarHBondContact OD2-OG1 2.94Å
278T96.4Very high96.6Very high13 Ų1314.9 Ų14.98%0.0810%0.097CC..THydrogen-bonded Turntrans-105.4-17-179.7660000113.6F11 D275 I280F11-T278 HydrophobicContact CE1-CG2 3.84Å; F11-T278 VanDerWaalsContact CE2-O 3.24Å; F11-T278 WeakPolarHBondContact CE2-O 3.2Å; F11-T278 VanDerWaalsContact CZ-CB 3.46Å; F11-T278 HydrophobicContact CZ-CG2 3.72Å; D275-T278 WeakPolarHBondContact CB-OG1 3.36Å; D275-T278 PolarHBondContact O-N 3.36Å; D275-T278 WeakPolarHBondContact OD2-CB 3.47Å; D275-T278 WeakPolarHBondContact OD2-CG2 3.41Å; D275-T278 PolarHBondContact OD2-OG1 3.21Å; T278-I280 PolarHBondContact O-N 3.08Å; T278-I280 WeakPolarHBondContact OG1-CB 2.91Å; T278-I280 WeakPolarHBondContact OG1-CG1 3.38Å; T278-I280 PolarHBondContact OG1-N 2.76Å
279G96.4Very high96.8Very high7 Ų716.5 Ų16.57%0.07211%0.106CC..THydrogen-bonded Turntrans72.210.8-170.500000113.2D275 V296D275-G279 WeakPolarHBondContact O-CA 3.49Å; D275-G279 PolarHBondContact O-N 3.06Å; G279-V296 PolarHBondContact O-N 3.28Å
280I98.3Very high96.8Very high0 Ų016.5 Ų16.50%011%0.106CC..EExtended strand (participates in β ladder)trans-84.2137178.5-61.9175.7000109.8F11 V14 D275 T278 Y282 F294 L306 I333F11-I280 HydrophobicContact CB-CD1 3.87Å; F11-I280 HydrophobicContact CD1-CD1 3.78Å; F11-I280 HydrophobicContact CD2-CD1 4.19Å; F11-I280 HydrophobicContact CD2-CG1 4.32Å; F11-I280 HydrophobicContact CE1-CD1 4.3Å; F11-I280 HydrophobicContact CG-CD1 3.7Å; F11-I280 HydrophobicContact CG-CG1 4.31Å; V14-I280 HydrophobicContact CG2-CD1 4.45Å; D275-I280 WeakPolarHBondContact CB-O 3.2Å; D275-I280 PolarHBondContact N-O 2.96Å; T278-I280 PolarHBondContact O-N 3.08Å; T278-I280 WeakPolarHBondContact OG1-CB 2.91Å; T278-I280 WeakPolarHBondContact OG1-CG1 3.38Å; T278-I280 PolarHBondContact OG1-N 2.76Å; I280-Y282 HydrophobicContact CB-CE2 4.15Å; I280-Y282 HydrophobicContact CG2-CD1 4.41Å; I280-Y282 HydrophobicContact CG2-CD2 4.03Å; I280-Y282 HydrophobicContact CG2-CE1 3.95Å; I280-Y282 HydrophobicContact CG2-CE2 3.55Å; I280-Y282 HydrophobicContact CG2-CG 4.43Å; I280-Y282 VanDerWaalsContact CG2-CZ 3.5Å; I280-F294 CarbonylContact C-O 3.6Å; I280-F294 VanDerWaalsContact CA-O 3.28Å; I280-F294 WeakPolarHBondContact CA-O 3.33Å; I280-F294 WeakPolarHBondContact CG2-O 3.47Å; I280-L306 HydrophobicContact CD1-CD1 4.04Å; I280-L306 HydrophobicContact CG1-CD1 4.08Å; I280-L306 HydrophobicContact CG2-CD1 4.45Å; I280-I333 HydrophobicContact CD1-CD1 3.67Å
281I98.4Very high96.8Very high0 Ų016.3 Ų16.30%011%0.106CC..EExtended strand (participates in β ladder)trans-113.9130.7167-169.9161.6000110.7V226 L234 P272 F273 F274 L283 Y293 F294 V296V226-I281 HydrophobicContact CG2-CD1 4.14Å; L234-I281 HydrophobicContact CB-CD1 4.22Å; L234-I281 HydrophobicContact CD1-CD1 3.58Å; L234-I281 HydrophobicContact CD1-CG2 3.98Å; L234-I281 HydrophobicContact CD2-CD1 3.33Å; L234-I281 HydrophobicContact CG-CD1 3.86Å; P272-I281 HydrophobicContact CB-CD1 3.78Å; P272-I281 HydrophobicContact CB-CG1 4.33Å; F273-I281 WeakPolarHBondContact O-CA 3.41Å; F274-I281 HydrophobicContact CB-CD1 4.44Å; F274-I281 HydrophobicContact CB-CG1 4.49Å; F274-I281 HydrophobicContact CD2-CB 4.12Å; I281-L283 HydrophobicContact CD1-CD2 4.19Å; I281-L283 HydrophobicContact CG1-CD2 3.99Å; I281-Y293 CarbonylContact O-C 3.55Å; I281-Y293 WeakPolarHBondContact O-CA 3.36Å; I281-F294 HydrophobicContact CG2-CB 3.82Å; I281-F294 HydrophobicContact CG2-CD2 4.49Å; I281-F294 PolarHBondContact N-O 2.75Å; I281-F294 PolarHBondContact O-N 2.67Å; I281-V296 HydrophobicContact CB-CG2 4.46Å; I281-V296 HydrophobicContact CG2-CG2 3.96Å
282Y98.7Very high96.9Very high0 Ų017.7 Ų17.70%011%0.11CC..EExtended strand (participates in β ladder)trans-104.7133.8175-54.4-96.3000109.6F273 I280 I291 R292 Y293 Y320 A334 F336 M349F273-Y282 PolarHBondContact N-O 2.9Å; F273-Y282 PolarHBondContact O-N 3.24Å; I280-Y282 HydrophobicContact CB-CE2 4.15Å; I280-Y282 HydrophobicContact CG2-CD1 4.41Å; I280-Y282 HydrophobicContact CG2-CD2 4.03Å; I280-Y282 HydrophobicContact CG2-CE1 3.95Å; I280-Y282 HydrophobicContact CG2-CE2 3.55Å; I280-Y282 HydrophobicContact CG2-CG 4.43Å; I280-Y282 VanDerWaalsContact CG2-CZ 3.5Å; Y282-I291 HydrophobicContact CD1-CG2 4.24Å; Y282-R292 CarbonylContact C-O 3.55Å; Y282-R292 WeakPolarHBondContact CA-O 3.4Å; Y282-Y293 VanDerWaalsContact CD1-CB 3.49Å; Y282-Y293 AromaticContact CD1-CD1 4Å; Y282-Y293 HydrophobicContact CD1-CD1 4Å; Y282-Y293 AromaticContact CD1-CG 3.95Å; Y282-Y293 HydrophobicContact CD1-CG 3.95Å; Y282-Y293 HydrophobicContact CE1-CD1 4.22Å; Y282-Y293 AromaticContact CE1-CG 4Å; Y282-Y293 HydrophobicContact CE1-CG 4Å; Y282-Y320 HydrophobicContact CD2-CE2 4.34Å; Y282-Y320 HydrophobicContact CE2-CE2 4.4Å; Y282-A334 HydrophobicContact CE2-CB 4Å; Y282-F336 VanDerWaalsContact CB-CZ 3.41Å; Y282-F336 AromaticContact CD1-CE2 3.56Å; Y282-F336 HydrophobicContact CD1-CE2 3.56Å; Y282-F336 AromaticContact CD1-CZ 3.75Å; Y282-F336 HydrophobicContact CD1-CZ 3.75Å; Y282-F336 HydrophobicContact CD2-CE2 4.16Å; Y282-F336 AromaticContact CD2-CZ 3.76Å; Y282-F336 HydrophobicContact CD2-CZ 3.76Å; Y282-F336 AromaticContact CE1-CE2 3.97Å; Y282-F336 HydrophobicContact CE1-CE2 3.97Å; Y282-F336 HydrophobicContact CE1-CZ 4.48Å; Y282-F336 HydrophobicContact CE2-CE2 4.5Å; Y282-F336 HydrophobicContact CE2-CZ 4.47Å; Y282-F336 AromaticContact CG-CE2 3.69Å; Y282-F336 HydrophobicContact CG-CE2 3.69Å; Y282-F336 AromaticContact CG-CZ 3.37Å; Y282-F336 HydrophobicContact CG-CZ 3.37Å; Y282-M349 HydrophobicContact CD1-CE 4.48Å; Y282-M349 HydrophobicContact CE1-CB 4.46Å; Y282-M349 HydrophobicContact CE1-CE 3.94Å; Y282-M349 HydrophobicContact CE1-CG 3.97Å
283L98.4Very high96.9Very high1 Ų117 Ų171%0.00511%0.105CC..EExtended strand (participates in β ladder)trans-118.7123.1179.6-54.9-173.8000109.3T236 V246 L263 L270 P272 I281 R292 F294T236-L283 HydrophobicContact CG2-CD1 4.3Å; T236-L283 HydrophobicContact CG2-CD2 3.77Å; V246-L283 HydrophobicContact CB-CD1 4.2Å; V246-L283 HydrophobicContact CG2-CD1 4.27Å; L263-L283 HydrophobicContact CD1-CD1 3.97Å; L270-L283 HydrophobicContact CD1-CD1 4.4Å; L270-L283 HydrophobicContact CD2-CB 4.19Å; P272-L283 HydrophobicContact CB-CD2 3.92Å; I281-L283 HydrophobicContact CD1-CD2 4.19Å; I281-L283 HydrophobicContact CG1-CD2 3.99Å; L283-R292 PolarHBondContact N-O 3.23Å; L283-R292 PolarHBondContact O-N 3.33Å; L283-F294 HydrophobicContact CD1-CD2 4.14Å; L283-F294 HydrophobicContact CD1-CE2 3.71Å; L283-F294 HydrophobicContact CG-CD2 4.34Å; L283-F294 HydrophobicContact CG-CE2 4.21Å
284C96.1Very high96.9Very high0 Ų016.1 Ų16.10%010%0.101CC..EExtended strand (participates in β ladder)trans-147.3142.7173.264.20000110.3L271 F273 I291 Q315 M318L271-C284 WeakPolarHBondContact CB-O 3.49Å; L271-C284 PolarHBondContact N-O 3.39Å; L271-C284 PolarHBondContact O-N 2.85Å; F273-C284 VanDerWaalsContact CE2-SG 3.53Å; C284-I291 HydrophobicContact CB-CG1 4.12Å; C284-I291 HydrophobicContact CB-CG2 4.42Å; C284-Q315 PolarHBondContact SG-NE2 2.8Å; C284-Q315 VanDerWaalsContact SG-NE2 3.4Å; C284-M318 HydrophobicContact CB-CE 4.41Å
285G94.1Very high96.9Very high0 Ų015.3 Ų15.30%010%0.098CC..EExtended strand (participates in β ladder)trans-122.1152.217900000112.1V269 G287 D288 Q315V269-G285 WeakPolarHBondContact O-CA 3.36Å; G285-G287 PolarHBondContact O-N 2.92Å; G285-D288 VanDerWaalsContact CA-OD2 3.3Å; G285-D288 WeakPolarHBondContact CA-OD2 3.48Å; G285-D288 PolarHBondContact N-OD2 3.19Å; G285-D288 VanDerWaalsContact O-CB 3.28Å; G285-D288 WeakPolarHBondContact O-CB 3.24Å; G285-D288 PolarHBondContact O-N 2.8Å; G285-Q315 WeakPolarHBondContact O-CG 3.48Å; G285-Q315 PolarHBondContact O-NE2 3.43Å
286K93.8Very high96.8Very high41 Ų4115.8 Ų15.818%0.17810%0.101CC..THydrogen-bonded Turntrans-57.2133.1171.2-68.2-170.7179.4-1730109.7W35 S37 F39 D288 K316W35-K286 WeakPolarHBondContact O-CE 3.46Å; W35-K286 PolarHBondContact O-NZ 3.33Å; S37-K286 WeakPolarHBondContact O-CE 3.41Å; S37-K286 PolarHBondContact O-NZ 3.25Å; F39-K286 VanDerWaalsContact CD1-NZ 3.27Å; F39-K286 VanDerWaalsContact CD2-NZ 3.34Å; F39-K286 VanDerWaalsContact CE1-NZ 3.29Å; F39-K286 VanDerWaalsContact CE2-NZ 3.35Å; F39-K286 VanDerWaalsContact CG-NZ 3.31Å; F39-K286 VanDerWaalsContact CZ-NZ 3.33Å; K286-D288 VanDerWaalsContact C-N 3.34Å; K286-K316 WeakPolarHBondContact CD-O 3.44Å; K286-K316 WeakPolarHBondContact CE-O 3.03Å; K286-K316 PolarHBondContact NZ-O 2.79Å
287G94.3Very high96.8Very high53 Ų5315 Ų1555%0.54610%0.095SC..THydrogen-bonded Turntrans89.8-17.6-173.300000114.9G285 S314 Q315G285-G287 PolarHBondContact O-N 2.92Å; G287-S314 VanDerWaalsContact O-CB 3.28Å; G287-S314 WeakPolarHBondContact O-CB 3.28Å; G287-Q315 PolarHBondContact N-O 2.87Å
288D96Very high96.5Very high16 Ų1620.3 Ų20.39%0.08612%0.124CC..  trans-72.7152.4174.9-67.3-38.3000111.2R244 G285 K286 S314 Q315R244-D288 IonicContact CZ-OD1 3.49Å; R244-D288 IonicContact CZ-OD2 2.78Å; R244-D288 VanDerWaalsContact NH1-CG 3.34Å; R244-D288 IonicContact NH1-OD1 3.48Å; R244-D288 PolarHBondContact NH1-OD1 3.32Å; R244-D288 VanDerWaalsContact NH1-OD1 3.15Å; R244-D288 IonicContact NH1-OD2 3.52Å; R244-D288 PolarHBondContact NH1-OD2 3.22Å; R244-D288 IonicContact NH2-OD1 3.96Å; R244-D288 PolarHBondContact NH2-OD1 2.9Å; R244-D288 IonicContact NH2-OD2 2.73Å; R244-D288 PolarHBondContact NH2-OD2 3.39Å; G285-D288 VanDerWaalsContact CA-OD2 3.3Å; G285-D288 WeakPolarHBondContact CA-OD2 3.48Å; G285-D288 PolarHBondContact N-OD2 3.19Å; G285-D288 VanDerWaalsContact O-CB 3.28Å; G285-D288 WeakPolarHBondContact O-CB 3.24Å; G285-D288 PolarHBondContact O-N 2.8Å; K286-D288 VanDerWaalsContact C-N 3.34Å; D288-S314 CarbonylContact O-C 3.55Å; D288-S314 WeakPolarHBondContact O-CA 3.22Å; D288-Q315 WeakPolarHBondContact O-CG 3.42Å; D288-Q315 PolarHBondContact O-N 2.79Å
289S96.4Very high96.3Very high48 Ų4825.4 Ų25.434%0.33615%0.146SC..SBendtrans-106.19.5170.273.60000113S311 E313S289-S311 WeakPolarHBondContact CB-O 3.28Å; S289-S311 PolarHBondContact O-N 2.74Å; S289-S311 PolarHBondContact O-OG 3.37Å; S289-S311 PolarHBondContact OG-O 3.36Å; S289-E313 WeakPolarHBondContact CA-O 3.04Å; S289-E313 VanDerWaalsContact CB-O 3.26Å; S289-E313 WeakPolarHBondContact CB-O 3.44Å
290S96.9Very high95.9Very high11 Ų1128 Ų288%0.07717%0.167CC..EExtended strand (participates in β ladder)trans-134151-174.764.30000113.3F309S290-F309 CarbonylContact C-O 3.54Å; S290-F309 WeakPolarHBondContact CA-O 3.47Å; S290-F309 WeakPolarHBondContact CB-O 3.44Å
291I98.3Very high95.7Very high2 Ų231.2 Ų31.21%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-115114.1169.6-53.7172.5000107Y282 C284 M308 F309 M318 F336 I347Y282-I291 HydrophobicContact CD1-CG2 4.24Å; C284-I291 HydrophobicContact CB-CG1 4.12Å; C284-I291 HydrophobicContact CB-CG2 4.42Å; I291-M308 CarbonylContact O-C 3.6Å; I291-M308 VanDerWaalsContact O-CA 3.31Å; I291-M308 WeakPolarHBondContact O-CA 3.3Å; I291-F309 HydrophobicContact CB-CB 4.36Å; I291-F309 HydrophobicContact CD1-CD1 4.28Å; I291-F309 HydrophobicContact CG1-CD1 4.33Å; I291-F309 PolarHBondContact N-O 3.21Å; I291-F309 PolarHBondContact O-N 3.2Å; I291-M318 HydrophobicContact CD1-CE 3.89Å; I291-M318 HydrophobicContact CD1-SD 4.39Å; I291-M318 HydrophobicContact CG1-CE 4.16Å; I291-F336 HydrophobicContact CD1-CB 4.15Å; I291-F336 HydrophobicContact CD1-CD1 4.39Å; I291-F336 HydrophobicContact CD1-CD2 4.05Å; I291-F336 HydrophobicContact CD1-CG 3.92Å; I291-F336 HydrophobicContact CG2-CE2 4.42Å; I291-F336 HydrophobicContact CG2-CZ 4.46Å; I291-I347 HydrophobicContact CD1-CD1 3.9Å
292R98.4Very high95.5Very high39 Ų3934.4 Ų34.415%0.14720%0.201CC..EExtended strand (participates in β ladder)trans-90.2148.2174.1-65.2-174.3-178.1100-2.4109.6D264 Y282 L283 F294 M308D264-R292 IonicContact OD2-CZ 3.85Å; D264-R292 IonicContact OD2-NH1 2.68Å; D264-R292 PolarHBondContact OD2-NH1 2.65Å; D264-R292 IonicContact OD2-NH2 2.88Å; D264-R292 PolarHBondContact OD2-NH2 3.22Å; Y282-R292 CarbonylContact C-O 3.55Å; Y282-R292 WeakPolarHBondContact CA-O 3.4Å; L283-R292 PolarHBondContact N-O 3.23Å; L283-R292 PolarHBondContact O-N 3.33Å; R292-F294 HydrophobicContact CB-CE2 3.93Å; R292-M308 HydrophobicContact CG-CB 4.08Å
293Y98.4Very high95.4Very high3 Ų334.5 Ų34.51%0.01220%0.201CC..EExtended strand (participates in β ladder)trans-142.1144176.341-83.8000112.9V14 I281 Y282 L306 S307 F309 M349V14-Y293 HydrophobicContact CB-CE2 4.13Å; V14-Y293 HydrophobicContact CG1-CD2 4.41Å; V14-Y293 HydrophobicContact CG1-CE2 3.93Å; V14-Y293 PolarHBondContact O-OH 2.75Å; I281-Y293 CarbonylContact O-C 3.55Å; I281-Y293 WeakPolarHBondContact O-CA 3.36Å; Y282-Y293 VanDerWaalsContact CD1-CB 3.49Å; Y282-Y293 AromaticContact CD1-CD1 4Å; Y282-Y293 HydrophobicContact CD1-CD1 4Å; Y282-Y293 AromaticContact CD1-CG 3.95Å; Y282-Y293 HydrophobicContact CD1-CG 3.95Å; Y282-Y293 HydrophobicContact CE1-CD1 4.22Å; Y282-Y293 AromaticContact CE1-CG 4Å; Y282-Y293 HydrophobicContact CE1-CG 4Å; Y293-L306 HydrophobicContact CD2-CB 3.76Å; Y293-L306 HydrophobicContact CD2-CD1 4.14Å; Y293-L306 HydrophobicContact CE2-CB 4.12Å; Y293-L306 WeakPolarHBondContact O-CB 3.48Å; Y293-L306 PolarHBondContact O-N 2.58Å; Y293-S307 PolarHBondContact N-O 2.87Å; Y293-S307 WeakPolarHBondContact OH-CB 3.24Å; Y293-S307 PolarHBondContact OH-OG 3.42Å; Y293-F309 HydrophobicContact CE1-CB 4.46Å; Y293-M349 HydrophobicContact CD1-CE 3.76Å; Y293-M349 HydrophobicContact CE1-CE 3.34Å; Y293-M349 HydrophobicContact CE2-CE 4.36Å; Y293-M349 HydrophobicContact CG-CE 4.45Å
294F98.3Very high95.3Very high1 Ų135.6 Ų35.60%0.00421%0.206CC..EExtended strand (participates in β ladder)trans-131.3152.6-174.2-56.1-107000108.6L263 I280 I281 L283 R292 V303 H304 Y305L263-F294 HydrophobicContact CD2-CE1 4.3Å; L263-F294 HydrophobicContact CD2-CZ 3.64Å; I280-F294 CarbonylContact C-O 3.6Å; I280-F294 VanDerWaalsContact CA-O 3.28Å; I280-F294 WeakPolarHBondContact CA-O 3.33Å; I280-F294 WeakPolarHBondContact CG2-O 3.47Å; I281-F294 HydrophobicContact CG2-CB 3.82Å; I281-F294 HydrophobicContact CG2-CD2 4.49Å; I281-F294 PolarHBondContact N-O 2.75Å; I281-F294 PolarHBondContact O-N 2.67Å; L283-F294 HydrophobicContact CD1-CD2 4.14Å; L283-F294 HydrophobicContact CD1-CE2 3.71Å; L283-F294 HydrophobicContact CG-CD2 4.34Å; L283-F294 HydrophobicContact CG-CE2 4.21Å; R292-F294 HydrophobicContact CB-CE2 3.93Å; F294-V303 HydrophobicContact CB-CG1 3.71Å; F294-V303 HydrophobicContact CD1-CG1 3.75Å; F294-V303 HydrophobicContact CG-CG1 3.92Å; F294-H304 CarbonylContact C-O 3.58Å; F294-H304 WeakPolarHBondContact CA-O 3.48Å; F294-Y305 VanDerWaalsContact CD1-CA 3.41Å; F294-Y305 HydrophobicContact CD1-CD2 4.12Å; F294-Y305 HydrophobicContact CD1-CG 4.48Å; F294-Y305 AromaticContact CE1-CD2 3.63Å; F294-Y305 HydrophobicContact CE1-CD2 3.63Å; F294-Y305 HydrophobicContact CE1-CG 4.17Å; F294-Y305 HydrophobicContact CE2-CD2 4.34Å; F294-Y305 AromaticContact CZ-CD2 3.74Å; F294-Y305 HydrophobicContact CZ-CD2 3.74Å; F294-Y305 HydrophobicContact CZ-CE2 4.49Å
295E97.6Very high95.4Very high17 Ų1741 Ų418%0.07923%0.227CC..EExtended strand (participates in β ladder)trans-102.5127.4170.3-166.8-179173.300109R7 S9 F11 T297 H304 L306R7-E295 IonicContact CZ-OE2 3.12Å; R7-E295 IonicContact NH1-OE2 2.76Å; R7-E295 PolarHBondContact NH1-OE2 3.48Å; R7-E295 VanDerWaalsContact NH1-OE2 3.1Å; R7-E295 IonicContact NH2-OE1 2.84Å; R7-E295 PolarHBondContact NH2-OE1 2.87Å; R7-E295 IonicContact NH2-OE2 2.92Å; R7-E295 PolarHBondContact NH2-OE2 2.81Å; S9-E295 WeakPolarHBondContact CB-OE2 3.28Å; S9-E295 PolarHBondContact OG-OE2 3.44Å; F11-E295 HydrophobicContact CD2-CG 4.33Å; E295-T297 HydrophobicContact CG-CG2 3.95Å; E295-H304 PolarHBondContact N-O 3.15Å; E295-H304 PolarHBondContact O-N 2.83Å; E295-L306 HydrophobicContact CB-CD1 4.07Å; E295-L306 HydrophobicContact CB-CD2 4.05Å; E295-L306 HydrophobicContact CB-CG 4.07Å
296V96.6Very high95.5Very high12 Ų1241.3 Ų41.37%0.07323%0.229CC..EExtended strand (participates in β ladder)trans-94.9123175.4-172.30000108.4V228 L234 L248 F274 G279 I281 Y302 V303V228-V296 HydrophobicContact CG2-CG1 4.19Å; L234-V296 HydrophobicContact CD1-CG2 4.21Å; L248-V296 HydrophobicContact CD1-CG1 4.28Å; L248-V296 HydrophobicContact CD2-CG1 4.28Å; F274-V296 HydrophobicContact CE2-CB 4.46Å; F274-V296 HydrophobicContact CE2-CG2 4.33Å; G279-V296 PolarHBondContact O-N 3.28Å; I281-V296 HydrophobicContact CB-CG2 4.46Å; I281-V296 HydrophobicContact CG2-CG2 3.96Å; V296-Y302 CarbonylContact C-O 3.59Å; V296-Y302 VanDerWaalsContact CA-O 3.29Å; V296-Y302 WeakPolarHBondContact CA-O 3.32Å; V296-V303 HydrophobicContact CG2-CG2 4.44Å
297T94.4Very high95.7Very high28 Ų2841.2 Ų41.217%0.17223%0.234CC..  trans-136.7167.6180740000111.1E295 E299 Y302 H304E295-T297 HydrophobicContact CG-CG2 3.95Å; T297-E299 PolarHBondContact O-N 2.84Å; T297-E299 PolarHBondContact OG1-N 3.23Å; T297-E299 PolarHBondContact OG1-O 3.21Å; T297-Y302 PolarHBondContact N-O 3.44Å; T297-Y302 WeakPolarHBondContact O-CA 3.48Å; T297-H304 PolarHBondContact OG1-CD2 2.93Å; T297-H304 PolarHBondContact OG1-NE2 2.66Å
298D90.9Very high95.8Very high135 Ų13541.9 Ų41.972%0.72222%0.223SC*.SBendtrans-78.6-0.8175.1-53.7-36000112.9Y302D298-Y302 WeakPolarHBondContact O-CE1 3.33Å
299E90.7Very high95.9Very high119 Ų11942.2 Ų42.256%0.55622%0.224SC*.SBendtrans-99.5123.4-179.4-172.9-169.7176.400110.4T297 Y302 H304T297-E299 PolarHBondContact O-N 2.84Å; T297-E299 PolarHBondContact OG1-N 3.23Å; T297-E299 PolarHBondContact OG1-O 3.21Å; E299-Y302 VanDerWaalsContact O-CA 3.23Å; E299-Y302 WeakPolarHBondContact O-CA 3.4Å; E299-Y302 PolarHBondContact O-N 3.27Å; E299-H304 PolarHBondContact O-CE1 2.85Å; E299-H304 PolarHBondContact O-NE2 3.13Å
300A89.8Confident95.9Very high61 Ų6143.5 Ų43.550%0.50423%0.233SC..THydrogen-bonded Turntrans-50.7136174.600000111.7Y302A300-Y302 VanDerWaalsContact C-N 3.3Å; A300-Y302 VanDerWaalsContact CA-N 3.28Å; A300-Y302 HydrophobicContact CB-CD2 4.41Å; A300-Y302 HydrophobicContact CB-CE2 3.96Å
301P93.3Very high95.9Very high69 Ų6944.4 Ų44.445%0.44824%0.24SC..THydrogen-bonded Turncis-84.222.89.736-40.9000115.5T259 V303 H304T259-P301 WeakPolarHBondContact CB-O 3.27Å; T259-P301 WeakPolarHBondContact CG2-O 3.49Å; T259-P301 PolarHBondContact OG1-O 3.42Å; P301-V303 PolarHBondContact O-N 2.63Å; P301-H304 VanDerWaalsContact CD-CE1 3.47Å; P301-H304 WeakPolarHBondContact CD-CE1 3.45Å
302Y94.3Very high95.7Very high67 Ų6754.4 Ų54.426%0.26328%0.283SS..SBendtrans68.2-45.6174.7-48.6-79.9000115.2L248 L258 V296 T297 D298 E299 A300 H304L248-Y302 VanDerWaalsContact CD2-CB 3.49Å; L248-Y302 HydrophobicContact CD2-CG 4.28Å; L258-Y302 HydrophobicContact CB-CD2 3.88Å; L258-Y302 HydrophobicContact CB-CE2 4.1Å; L258-Y302 HydrophobicContact CB-CG 4.47Å; V296-Y302 CarbonylContact C-O 3.59Å; V296-Y302 VanDerWaalsContact CA-O 3.29Å; V296-Y302 WeakPolarHBondContact CA-O 3.32Å; T297-Y302 PolarHBondContact N-O 3.44Å; T297-Y302 WeakPolarHBondContact O-CA 3.48Å; D298-Y302 WeakPolarHBondContact O-CE1 3.33Å; E299-Y302 VanDerWaalsContact O-CA 3.23Å; E299-Y302 WeakPolarHBondContact O-CA 3.4Å; E299-Y302 PolarHBondContact O-N 3.27Å; A300-Y302 VanDerWaalsContact C-N 3.3Å; A300-Y302 VanDerWaalsContact CA-N 3.28Å; A300-Y302 HydrophobicContact CB-CD2 4.41Å; A300-Y302 HydrophobicContact CB-CE2 3.96Å; Y302-H304 PolarHBondContact O-CD2 3.45Å
303V96.8Very high95.4Very high1 Ų157 Ų571%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-106114174.7-1800000108.2L234 L248 T259 Q261 F294 V296 P301L234-V303 HydrophobicContact CD1-CG2 4.18Å; L248-V303 HydrophobicContact CB-CG2 3.95Å; L248-V303 HydrophobicContact CD2-CG2 4.12Å; L248-V303 HydrophobicContact CG-CG2 4.45Å; T259-V303 HydrophobicContact CG2-CB 3.75Å; T259-V303 HydrophobicContact CG2-CG2 3.52Å; Q261-V303 PolarHBondContact NE2-O 2.65Å; F294-V303 HydrophobicContact CB-CG1 3.71Å; F294-V303 HydrophobicContact CD1-CG1 3.75Å; F294-V303 HydrophobicContact CG-CG1 3.92Å; V296-V303 HydrophobicContact CG2-CG2 4.44Å; P301-V303 PolarHBondContact O-N 2.63Å
304H96.9Very high95.3Very high25 Ų2559.9 Ų59.912%0.11632%0.318CS..EExtended strand (participates in β ladder)trans-113.9115.9-173.3-60.1-100000110.2R7 F294 E295 T297 E299 P301 Y302 L306R7-H304 WeakPolarHBondContact CD-ND1 3.23Å; R7-H304 PolarHBondContact NH1-CD2 3.02Å; F294-H304 CarbonylContact C-O 3.58Å; F294-H304 WeakPolarHBondContact CA-O 3.48Å; E295-H304 PolarHBondContact N-O 3.15Å; E295-H304 PolarHBondContact O-N 2.83Å; T297-H304 PolarHBondContact OG1-CD2 2.93Å; T297-H304 PolarHBondContact OG1-NE2 2.66Å; E299-H304 PolarHBondContact O-CE1 2.85Å; E299-H304 PolarHBondContact O-NE2 3.13Å; P301-H304 VanDerWaalsContact CD-CE1 3.47Å; P301-H304 WeakPolarHBondContact CD-CE1 3.45Å; Y302-H304 PolarHBondContact O-CD2 3.45Å; H304-L306 PolarHBondContact O-N 3.47Å
305Y97Very high95.1Very high112 Ų11260 Ų6044%0.43932%0.318SS..EExtended strand (participates in β ladder)trans-59.6126.9175178.4-104000111F294 S307 M308F294-Y305 VanDerWaalsContact CD1-CA 3.41Å; F294-Y305 HydrophobicContact CD1-CD2 4.12Å; F294-Y305 HydrophobicContact CD1-CG 4.48Å; F294-Y305 AromaticContact CE1-CD2 3.63Å; F294-Y305 HydrophobicContact CE1-CD2 3.63Å; F294-Y305 HydrophobicContact CE1-CG 4.17Å; F294-Y305 HydrophobicContact CE2-CD2 4.34Å; F294-Y305 AromaticContact CZ-CD2 3.74Å; F294-Y305 HydrophobicContact CZ-CD2 3.74Å; F294-Y305 HydrophobicContact CZ-CE2 4.49Å; Y305-S307 WeakPolarHBondContact CE2-O 3.35Å; Y305-S307 VanDerWaalsContact OH-C 3.24Å; Y305-M308 WeakPolarHBondContact OH-CB 3.19Å; Y305-M308 PolarHBondContact OH-N 3Å
306L96.8Very high95.1Very high7 Ų763.3 Ų63.34%0.03733%0.332CS..EExtended strand (participates in β ladder)trans-94.4-67.7175.9-66.9177.7000110.3F11 R12 I280 Y293 E295 H304F11-L306 HydrophobicContact CB-CD1 3.86Å; F11-L306 HydrophobicContact CB-CD2 4.37Å; R12-L306 PolarHBondContact NH1-O 3.24Å; I280-L306 HydrophobicContact CD1-CD1 4.04Å; I280-L306 HydrophobicContact CG1-CD1 4.08Å; I280-L306 HydrophobicContact CG2-CD1 4.45Å; Y293-L306 HydrophobicContact CD2-CB 3.76Å; Y293-L306 HydrophobicContact CD2-CD1 4.14Å; Y293-L306 HydrophobicContact CE2-CB 4.12Å; Y293-L306 WeakPolarHBondContact O-CB 3.48Å; Y293-L306 PolarHBondContact O-N 2.58Å; E295-L306 HydrophobicContact CB-CD1 4.07Å; E295-L306 HydrophobicContact CB-CD2 4.05Å; E295-L306 HydrophobicContact CB-CG 4.07Å; H304-L306 PolarHBondContact O-N 3.47Å
307S97.2Very high95.1Very high39 Ų3962.8 Ų62.827%0.27333%0.329SS..EExtended strand (participates in β ladder)trans-168.4-173.7-176.8-1710000110.1Y293 Y305Y293-S307 PolarHBondContact N-O 2.87Å; Y293-S307 WeakPolarHBondContact OH-CB 3.24Å; Y293-S307 PolarHBondContact OH-OG 3.42Å; Y305-S307 WeakPolarHBondContact CE2-O 3.35Å; Y305-S307 VanDerWaalsContact OH-C 3.24Å
308M97.1Very high95.2Very high67 Ų6761.4 Ų61.433%0.3332%0.321SS..EExtended strand (participates in β ladder)trans-137.5141.9174.967.8-173.6-59.800110.5I291 R292 Y305 S310I291-M308 CarbonylContact O-C 3.6Å; I291-M308 VanDerWaalsContact O-CA 3.31Å; I291-M308 WeakPolarHBondContact O-CA 3.3Å; R292-M308 HydrophobicContact CG-CB 4.08Å; Y305-M308 WeakPolarHBondContact OH-CB 3.19Å; Y305-M308 PolarHBondContact OH-N 3Å; M308-S310 WeakPolarHBondContact CE-OG 3.48Å
309F98.2Very high95.6Very high23 Ų2355 Ų5510%0.10129%0.286CS..EExtended strand (participates in β ladder)trans-88.5134.5162.9169.5-96.5000108.1G16 A18 S290 I291 Y293 I347G16-F309 WeakPolarHBondContact O-CD2 3.41Å; A18-F309 HydrophobicContact CB-CZ 4.35Å; S290-F309 CarbonylContact C-O 3.54Å; S290-F309 WeakPolarHBondContact CA-O 3.47Å; S290-F309 WeakPolarHBondContact CB-O 3.44Å; I291-F309 HydrophobicContact CB-CB 4.36Å; I291-F309 HydrophobicContact CD1-CD1 4.28Å; I291-F309 HydrophobicContact CG1-CD1 4.33Å; I291-F309 PolarHBondContact N-O 3.21Å; I291-F309 PolarHBondContact O-N 3.2Å; Y293-F309 HydrophobicContact CE1-CB 4.46Å; F309-I347 HydrophobicContact CD1-CD1 4.08Å; F309-I347 HydrophobicContact CD1-CG2 4.26Å; F309-I347 HydrophobicContact CD2-CG2 4.16Å; F309-I347 HydrophobicContact CE1-CD1 3.49Å; F309-I347 VanDerWaalsContact CE1-CD1 3.49Å; F309-I347 HydrophobicContact CE1-CG1 4.14Å; F309-I347 HydrophobicContact CE1-CG2 4.17Å; F309-I347 HydrophobicContact CE2-CG2 4.04Å; F309-I347 HydrophobicContact CG-CG2 4.26Å; F309-I347 HydrophobicContact CZ-CD1 4.02Å; F309-I347 HydrophobicContact CZ-CG1 4.16Å; F309-I347 HydrophobicContact CZ-CG2 4.04Å
310S96.8Very high95.9Very high75 Ų7551.7 Ų51.752%0.52427%0.269SS..EExtended strand (participates in β ladder)trans-128.1141.1-178.8-620000110.6M308M308-S310 WeakPolarHBondContact CE-OG 3.48Å
311S95.8Very high96.4Very high31 Ų3148.8 Ų48.822%0.21725%0.245CC..  trans-140.5173.6176.665.70000110.3S289 E313 K338S289-S311 WeakPolarHBondContact CB-O 3.28Å; S289-S311 PolarHBondContact O-N 2.74Å; S289-S311 PolarHBondContact O-OG 3.37Å; S289-S311 PolarHBondContact OG-O 3.36Å; S311-E313 PolarHBondContact OG-O 3.23Å; S311-K338 PolarHBondContact OG-NZ 3.42Å
312K93.8Very high96.6Very high211 Ų21147.6 Ų47.692%0.91724%0.237SC*.SBendtrans-87.6-28.7-178.9-64.6-179.1-179.7177.70113.4
313E93.8Very high96.7Very high94 Ų9445.3 Ų45.344%0.43923%0.229SC..SBendtrans-94.8143.4-174.4-66.2174.4-122.300110.6S289 S311 K338 H340 K343S289-E313 WeakPolarHBondContact CA-O 3.04Å; S289-E313 VanDerWaalsContact CB-O 3.26Å; S289-E313 WeakPolarHBondContact CB-O 3.44Å; S311-E313 PolarHBondContact OG-O 3.23Å; E313-K338 PolarHBondContact O-NZ 3.15Å; E313-H340 WeakPolarHBondContact CB-ND1 3.44Å; E313-H340 IonicContact OE2-CE1 2.71Å; E313-H340 IonicContact OE2-CG 2.9Å; E313-H340 IonicContact OE2-ND1 3.1Å; E313-H340 PolarHBondContact OE2-ND1 2.66Å; E313-K343 VanDerWaalsContact CD-NZ 3.35Å; E313-K343 IonicContact OE1-NZ 3.46Å; E313-K343 PolarHBondContact OE1-NZ 3.18Å; E313-K343 WeakPolarHBondContact OE2-CE 3.06Å; E313-K343 IonicContact OE2-NZ 3.53Å; E313-K343 PolarHBondContact OE2-NZ 3.42Å; E313-K343 VanDerWaalsContact OE2-NZ 3.16Å
314S95Very high96.6Very high64 Ų6446.2 Ų46.245%0.44823%0.232SC..PPolyproline II helixtrans-82145.5177.953.90000111.4G287 D288G287-S314 VanDerWaalsContact O-CB 3.28Å; G287-S314 WeakPolarHBondContact O-CB 3.28Å; D288-S314 CarbonylContact O-C 3.55Å; D288-S314 WeakPolarHBondContact O-CA 3.22Å
315Q95.6Very high96.6Very high2 Ų245.8 Ų45.81%0.00923%0.234CC..PPolyproline II helixtrans-82.7138.7176.468.8-170.361.400112C284 G285 G287 D288 M318 K338 L339C284-Q315 PolarHBondContact SG-NE2 2.8Å; C284-Q315 VanDerWaalsContact SG-NE2 3.4Å; G285-Q315 WeakPolarHBondContact O-CG 3.48Å; G285-Q315 PolarHBondContact O-NE2 3.43Å; G287-Q315 PolarHBondContact N-O 2.87Å; D288-Q315 WeakPolarHBondContact O-CG 3.42Å; D288-Q315 PolarHBondContact O-N 2.79Å; Q315-M318 HydrophobicContact CB-CE 4.32Å; Q315-K338 HydrophobicContact CB-CD 4.39Å; Q315-K338 HydrophobicContact CB-CG 3.97Å; Q315-L339 CarbonylContact C-O 3.51Å; Q315-L339 VanDerWaalsContact CA-O 3.32Å; Q315-L339 WeakPolarHBondContact CA-O 3.42Å
316K95.9Very high96.6Very high88 Ų8841.2 Ų41.238%0.38322%0.217SC..SBendtrans-94.4-17.1169-70.1-70.8-172.7170.40112.9I30 K286 L339I30-K316 HydrophobicContact CG2-CB 4.3Å; K286-K316 WeakPolarHBondContact CD-O 3.44Å; K286-K316 WeakPolarHBondContact CE-O 3.03Å; K286-K316 PolarHBondContact NZ-O 2.79Å; K316-L339 HydrophobicContact CB-CB 4.31Å; K316-L339 PolarHBondContact N-O 2.86Å
317G96.4Very high96.5Very high0 Ų044.6 Ų44.60%023%0.233CC..EExtended strand (participates in β ladder)trans-178.8172.1-175.600000109.7N38 L339N38-G317 CarbonylContact O-C 3.57Å; N38-G317 WeakPolarHBondContact O-CA 3.36Å; G317-L339 PolarHBondContact O-N 2.98Å
318M98Very high96.3Very high0 Ų043.3 Ų43.30%022%0.223CC..EExtended strand (participates in β ladder)trans-151.5122.2-175.1-168.165.868.300110.4N38 F273 C284 I291 Q315 F336 K338N38-M318 WeakPolarHBondContact CB-O 3.2Å; N38-M318 PolarHBondContact O-N 3.09Å; F273-M318 HydrophobicContact CE2-CB 4.5Å; F273-M318 HydrophobicContact CE2-CG 4.38Å; F273-M318 HydrophobicContact CZ-CB 4.24Å; F273-M318 HydrophobicContact CZ-CG 4.31Å; C284-M318 HydrophobicContact CB-CE 4.41Å; I291-M318 HydrophobicContact CD1-CE 3.89Å; I291-M318 HydrophobicContact CD1-SD 4.39Å; I291-M318 HydrophobicContact CG1-CE 4.16Å; Q315-M318 HydrophobicContact CB-CE 4.32Å; M318-F336 HydrophobicContact CG-CD1 3.57Å; M318-F336 HydrophobicContact CG-CE1 4.27Å; M318-F336 HydrophobicContact SD-CB 3.69Å; M318-F336 HydrophobicContact SD-CD1 3.72Å; M318-F336 HydrophobicContact SD-CG 4.09Å; M318-K338 HydrophobicContact CE-CB 3.91Å; M318-K338 HydrophobicContact CE-CD 4.41Å; M318-K338 HydrophobicContact CE-CG 3.87Å; M318-K338 HydrophobicContact SD-CB 3.89Å; M318-K338 HydrophobicContact SD-CG 4.47Å
319G98.3Very high96.1Very high0 Ų046.7 Ų46.70%024%0.243CC..EExtended strand (participates in β ladder)trans-94.2155.4166.500000110.8F336 Y337G319-F336 CarbonylContact O-C 3.58Å; G319-F336 WeakPolarHBondContact O-CA 3.24Å; G319-Y337 PolarHBondContact N-O 3.34Å; G319-Y337 PolarHBondContact O-N 2.88Å
320Y98.5Very high95.9Very high49 Ų4952.2 Ų52.219%0.19227%0.267CS..EExtended strand (participates in β ladder)trans-133119.5178.4180-102.4000110V42 F273 Y282 P322 A334 F336V42-Y320 VanDerWaalsContact CG1-O 3.28Å; V42-Y320 WeakPolarHBondContact CG1-O 3.19Å; F273-Y320 HydrophobicContact CB-CD2 4.33Å; F273-Y320 HydrophobicContact CB-CG 4.49Å; F273-Y320 HydrophobicContact CD1-CD2 4.41Å; F273-Y320 AromaticContact CD1-CG 3.95Å; F273-Y320 HydrophobicContact CD1-CG 3.95Å; Y282-Y320 HydrophobicContact CD2-CE2 4.34Å; Y282-Y320 HydrophobicContact CE2-CE2 4.4Å; Y320-P322 WeakPolarHBondContact O-CD 3.3Å; Y320-A334 HydrophobicContact CE2-CB 3.72Å; Y320-F336 HydrophobicContact CD2-CD1 4.05Å; Y320-F336 AromaticContact CD2-CE1 3.5Å; Y320-F336 HydrophobicContact CD2-CE1 3.5Å; Y320-F336 HydrophobicContact CD2-CE2 4.21Å; Y320-F336 AromaticContact CD2-CZ 3.55Å; Y320-F336 HydrophobicContact CD2-CZ 3.55Å; Y320-F336 HydrophobicContact CE2-CE1 4.21Å; Y320-F336 HydrophobicContact CE2-CE2 4.25Å; Y320-F336 AromaticContact CE2-CZ 3.78Å; Y320-F336 HydrophobicContact CE2-CZ 3.78Å; Y320-F336 HydrophobicContact CG-CE1 4.42Å
321M98.5Very high95.9Very high0 Ų049 Ų490%024%0.244CC..  trans-71.3126.6-176.5-179.956.58000111.8V42 N43 L64 L326 R335 Y337V42-M321 HydrophobicContact CG1-CB 4.45Å; V42-M321 HydrophobicContact CG2-CE 3.4Å; V42-M321 VanDerWaalsContact CG2-CE 3.4Å; V42-M321 HydrophobicContact CG2-SD 4.14Å; N43-M321 WeakPolarHBondContact O-CE 3.14Å; L64-M321 HydrophobicContact CD1-CE 3.68Å; L64-M321 HydrophobicContact CD2-CE 4.17Å; M321-L326 HydrophobicContact CB-CD2 4.03Å; M321-L326 HydrophobicContact CG-CD2 3.77Å; M321-R335 HydrophobicContact CB-CB 3.66Å; M321-R335 WeakPolarHBondContact CB-O 3.42Å; M321-R335 HydrophobicContact CG-CB 4.29Å; M321-R335 PolarHBondContact N-O 3.4Å; M321-Y337 HydrophobicContact CB-CE2 4.25Å; M321-Y337 HydrophobicContact CE-CE2 3.78Å; M321-Y337 VanDerWaalsContact CE-OH 3.31Å; M321-Y337 WeakPolarHBondContact CE-OH 3.14Å
322P97.6Very high95.9Very high45 Ų4547.5 Ų47.529%0.29223%0.234SC..  trans-58.1151.4168.4-2534.5000112.2V42 Y320 R324 G325V42-P322 WeakPolarHBondContact O-CD 3.37Å; Y320-P322 WeakPolarHBondContact O-CD 3.3Å; P322-R324 PolarHBondContact O-N 3.05Å; P322-G325 PolarHBondContact O-N 2.79Å
323K96.8Very high96.1Very high19 Ų1937.5 Ų37.58%0.08319%0.19CC..G310 helixtrans-50.2-36.5-176.6-71.7-74.1-178-174.80114.8D275 D277 G325 L326 I333 T366 L391D275-K323 WeakPolarHBondContact OD1-CE 3.46Å; D275-K323 IonicContact OD1-NZ 3.07Å; D275-K323 PolarHBondContact OD1-NZ 2.87Å; D275-K323 VanDerWaalsContact OD1-NZ 3.13Å; D275-K323 WeakPolarHBondContact OD2-CE 3.34Å; D275-K323 IonicContact OD2-NZ 3.09Å; D275-K323 PolarHBondContact OD2-NZ 2.56Å; D277-K323 WeakPolarHBondContact OD2-CD 3.17Å; D277-K323 VanDerWaalsContact OD2-CE 3.31Å; D277-K323 WeakPolarHBondContact OD2-CE 3.41Å; D277-K323 WeakPolarHBondContact OD2-CG 3.46Å; K323-G325 PolarHBondContact O-N 2.74Å; K323-L326 HydrophobicContact CD-CD1 3.81Å; K323-L326 PolarHBondContact O-N 3.12Å; K323-I333 PolarHBondContact NZ-O 3.44Å; K323-T366 HydrophobicContact CB-CG2 3.89Å; K323-T366 WeakPolarHBondContact CG-OG1 3.31Å; K323-L391 HydrophobicContact CB-CD1 4.14Å
324R95.9Very high96.4Very high20 Ų2033 Ų338%0.07517%0.169CC..G310 helixtrans-59.5-24177.7-65.8-172.9-69.1109.2-2.5114.2P44 P91 D94 P322 I389 F395P44-R324 HydrophobicContact CG-CB 3.7Å; P91-R324 PolarHBondContact O-NH2 3.23Å; D94-R324 IonicContact OD1-CZ 3.45Å; D94-R324 IonicContact OD1-NH1 3.45Å; D94-R324 PolarHBondContact OD1-NH1 2.93Å; D94-R324 VanDerWaalsContact OD1-NH1 3.1Å; D94-R324 IonicContact OD1-NH2 2.7Å; D94-R324 PolarHBondContact OD1-NH2 2.77Å; D94-R324 IonicContact OD2-CZ 2.6Å; D94-R324 IonicContact OD2-NH1 3.51Å; D94-R324 PolarHBondContact OD2-NH1 3.34Å; D94-R324 IonicContact OD2-NH2 3.87Å; P322-R324 PolarHBondContact O-N 3.05Å; R324-I389 HydrophobicContact CG-CD1 3.99Å; R324-F395 HydrophobicContact CB-CD2 4.2Å; R324-F395 WeakPolarHBondContact O-CD2 3.2Å
325G96.1Very high96.6Very high15 Ų1531.2 Ų31.216%0.15515%0.152CC..G310 helixtrans-100.19.5-17800000114.7P322 K323P322-G325 PolarHBondContact O-N 2.79Å; K323-G325 PolarHBondContact O-N 2.74Å
326L96.8Very high96.7Very high16 Ų1631.1 Ų31.18%0.08415%0.152CC..SBendtrans-88.8149.7179.8-55.7-178000112.3M321 K323 V328 E332 I333 R335M321-L326 HydrophobicContact CB-CD2 4.03Å; M321-L326 HydrophobicContact CG-CD2 3.77Å; K323-L326 HydrophobicContact CD-CD1 3.81Å; K323-L326 PolarHBondContact O-N 3.12Å; L326-V328 PolarHBondContact O-N 3.33Å; L326-V328 VanDerWaalsContact O-N 3.13Å; L326-E332 HydrophobicContact CB-CG 4.29Å; L326-E332 HydrophobicContact CD2-CG 4.11Å; L326-I333 VanDerWaalsContact CD1-C 3.45Å; L326-I333 VanDerWaalsContact CD1-O 3.24Å; L326-I333 WeakPolarHBondContact CD1-O 3.5Å; L326-R335 HydrophobicContact CD2-CB 3.97Å
327E94.6Very high96.8Very high79 Ų7927.1 Ų27.137%0.36913%0.134SC..  trans-84.481.5174.3-72.1171.9-145.900111N329 K330 E332 R335E327-N329 PolarHBondContact O-N 2.77Å; E327-N329 VanDerWaalsContact O-N 3.17Å; E327-K330 HydrophobicContact CB-CB 4.37Å; E327-K330 HydrophobicContact CB-CG 4.49Å; E327-K330 PolarHBondContact O-N 2.91Å; E327-K330 WeakPolarHBondContact OE2-CD 3.32Å; E327-K330 WeakPolarHBondContact OE2-CE 3.46Å; E327-K330 IonicContact OE2-NZ 3.33Å; E327-K330 PolarHBondContact OE2-NZ 3Å; E327-E332 HydrophobicContact CB-CB 4.39Å; E327-E332 WeakPolarHBondContact CB-OE2 3.4Å; E327-E332 PolarHBondContact N-OE2 3.35Å; E327-E332 PolarHBondContact O-N 3.06Å; E327-R335 VanDerWaalsContact CD-NH2 3.33Å; E327-R335 IonicContact OE1-CZ 3.45Å; E327-R335 IonicContact OE1-NH2 3.57Å; E327-R335 PolarHBondContact OE1-NH2 3.33Å
328V94.2Very high96.9Very high11 Ų1127.2 Ų27.27%0.06714%0.135CC..G310 helixtrans-56.1-33.9-178.8-61.60000113.5L326 K330 C331 F358 Y363 L391L326-V328 PolarHBondContact O-N 3.33Å; L326-V328 VanDerWaalsContact O-N 3.13Å; V328-K330 PolarHBondContact O-N 3.34Å; V328-C331 PolarHBondContact O-N 3.04Å; V328-C331 VanDerWaalsContact O-N 3.09Å; V328-F358 HydrophobicContact CB-CE2 4.19Å; V328-F358 HydrophobicContact CG2-CD2 4.41Å; V328-F358 HydrophobicContact CG2-CE2 4.3Å; V328-Y363 HydrophobicContact CB-CD2 4.22Å; V328-Y363 HydrophobicContact CB-CE1 4.38Å; V328-Y363 HydrophobicContact CB-CE2 3.91Å; V328-Y363 HydrophobicContact CG1-CD1 3.98Å; V328-Y363 HydrophobicContact CG1-CD2 4.33Å; V328-Y363 HydrophobicContact CG1-CE1 3.86Å; V328-Y363 HydrophobicContact CG1-CE2 4.23Å; V328-Y363 HydrophobicContact CG1-CG 4.21Å; V328-L391 HydrophobicContact CG1-CB 3.94Å; V328-L391 HydrophobicContact CG1-CD1 4.2Å
329N92.1Very high96.9Very high138 Ų13827.2 Ų27.274%0.73814%0.135SC*.G310 helixtrans-65.6-19.9178-64.3-21.2000113.1E327E327-N329 PolarHBondContact O-N 2.77Å; E327-N329 VanDerWaalsContact O-N 3.17Å
330K93.9Very high96.9Very high140 Ų14027.5 Ų27.561%0.60914%0.136SC*.G310 helixtrans-104.111.6177.6-62-171.9-168.5157.30112.8E327 V328 E332 T350E327-K330 HydrophobicContact CB-CB 4.37Å; E327-K330 HydrophobicContact CB-CG 4.49Å; E327-K330 PolarHBondContact O-N 2.91Å; E327-K330 WeakPolarHBondContact OE2-CD 3.32Å; E327-K330 WeakPolarHBondContact OE2-CE 3.46Å; E327-K330 IonicContact OE2-NZ 3.33Å; E327-K330 PolarHBondContact OE2-NZ 3Å; V328-K330 PolarHBondContact O-N 3.34Å; K330-E332 PolarHBondContact O-N 2.57Å; K330-T350 WeakPolarHBondContact O-CG2 3.45Å
331C95.9Very high96.6Very high7 Ų731.7 Ų31.75%0.04716%0.158CC..THydrogen-bonded Turntrans56.531.8-175.9-60.90000113V328 T350 V351 L362 Y363V328-C331 PolarHBondContact O-N 3.04Å; V328-C331 VanDerWaalsContact O-N 3.09Å; C331-T350 HydrophobicContact CB-CG2 4.45Å; C331-T350 WeakPolarHBondContact O-CA 3.42Å; C331-V351 WeakPolarHBondContact CB-O 3.3Å; C331-V351 PolarHBondContact O-N 3.46Å; C331-L362 HydrophobicContact CB-CD1 4.29Å; C331-Y363 WeakPolarHBondContact CA-OH 3.41Å
332E97.3Very high96.5Very high0 Ų036.7 Ų36.70%018%0.176CC..EExtended strand (participates in β ladder)trans-72.9121.7170.6176.4176.2-145.900109.9L326 E327 K330 R335 V348 Y363L326-E332 HydrophobicContact CB-CG 4.29Å; L326-E332 HydrophobicContact CD2-CG 4.11Å; E327-E332 HydrophobicContact CB-CB 4.39Å; E327-E332 WeakPolarHBondContact CB-OE2 3.4Å; E327-E332 PolarHBondContact N-OE2 3.35Å; E327-E332 PolarHBondContact O-N 3.06Å; K330-E332 PolarHBondContact O-N 2.57Å; E332-R335 WeakPolarHBondContact OE1-CB 3.39Å; E332-R335 WeakPolarHBondContact OE1-CG 3.38Å; E332-R335 IonicContact OE1-CZ 3.82Å; E332-R335 IonicContact OE1-NE 3.33Å; E332-R335 PolarHBondContact OE1-NE 2.98Å; E332-R335 IonicContact OE1-NH2 3.24Å; E332-R335 PolarHBondContact OE1-NH2 3.18Å; E332-R335 IonicContact OE2-CZ 2.95Å; E332-R335 IonicContact OE2-NE 2.83Å; E332-R335 PolarHBondContact OE2-NE 2.88Å; E332-R335 IonicContact OE2-NH2 2.66Å; E332-R335 PolarHBondContact OE2-NH2 2.93Å; E332-V348 HydrophobicContact CB-CG1 4.17Å; E332-V348 HydrophobicContact CG-CG1 3.82Å; E332-V348 WeakPolarHBondContact OE1-CG1 3.47Å; E332-Y363 VanDerWaalsContact C-OH 3.24Å; E332-Y363 PolarHBondContact N-OH 2.86Å; E332-Y363 VanDerWaalsContact N-OH 3.07Å; E332-Y363 WeakPolarHBondContact O-CE1 3.4Å; E332-Y363 PolarHBondContact O-OH 3.05Å
333I98.1Very high96.4Very high0 Ų036.2 Ų36.20%017%0.17CC..EExtended strand (participates in β ladder)trans-106.1-18.2-178.856.4160000113.4F11 V14 I280 K323 L326 M349 V351 Y363F11-I333 HydrophobicContact CD1-CD1 4.37Å; V14-I333 HydrophobicContact CG1-CD1 4.08Å; V14-I333 HydrophobicContact CG2-CD1 3.64Å; I280-I333 HydrophobicContact CD1-CD1 3.67Å; K323-I333 PolarHBondContact NZ-O 3.44Å; L326-I333 VanDerWaalsContact CD1-C 3.45Å; L326-I333 VanDerWaalsContact CD1-O 3.24Å; L326-I333 WeakPolarHBondContact CD1-O 3.5Å; I333-M349 HydrophobicContact CG1-CB 4.34Å; I333-M349 WeakPolarHBondContact CG1-O 3.24Å; I333-M349 PolarHBondContact N-O 2.99Å; I333-V351 HydrophobicContact CB-CG2 4.49Å; I333-V351 HydrophobicContact CD1-CG2 3.79Å; I333-V351 HydrophobicContact CG1-CG2 4.11Å; I333-V351 HydrophobicContact CG2-CG2 3.62Å; I333-Y363 HydrophobicContact CG2-CE1 4.44Å
334A98.7Very high96.5Very high0 Ų035.3 Ų35.30%017%0.166CC..EExtended strand (participates in β ladder)trans-156.4150.5172.500000110.5Y282 Y320 F336 M349Y282-A334 HydrophobicContact CE2-CB 4Å; Y320-A334 HydrophobicContact CE2-CB 3.72Å; A334-F336 HydrophobicContact CB-CE2 4.26Å; A334-M349 HydrophobicContact CB-CB 3.98Å; A334-M349 HydrophobicContact CB-CG 4Å; A334-M349 WeakPolarHBondContact O-CB 3.37Å; A334-M349 PolarHBondContact O-N 3.13Å
335R98.8Very high96.6Very high26 Ų2635.6 Ų35.610%0.09817%0.168CC..EExtended strand (participates in β ladder)trans-128.9122.7170.4-160.7-178.9-67.2-178.2-8.9109.7M321 L326 E327 E332 Y337 I347 V348M321-R335 HydrophobicContact CB-CB 3.66Å; M321-R335 WeakPolarHBondContact CB-O 3.42Å; M321-R335 HydrophobicContact CG-CB 4.29Å; M321-R335 PolarHBondContact N-O 3.4Å; L326-R335 HydrophobicContact CD2-CB 3.97Å; E327-R335 VanDerWaalsContact CD-NH2 3.33Å; E327-R335 IonicContact OE1-CZ 3.45Å; E327-R335 IonicContact OE1-NH2 3.57Å; E327-R335 PolarHBondContact OE1-NH2 3.33Å; E332-R335 WeakPolarHBondContact OE1-CB 3.39Å; E332-R335 WeakPolarHBondContact OE1-CG 3.38Å; E332-R335 IonicContact OE1-CZ 3.82Å; E332-R335 IonicContact OE1-NE 3.33Å; E332-R335 PolarHBondContact OE1-NE 2.98Å; E332-R335 IonicContact OE1-NH2 3.24Å; E332-R335 PolarHBondContact OE1-NH2 3.18Å; E332-R335 IonicContact OE2-CZ 2.95Å; E332-R335 IonicContact OE2-NE 2.83Å; E332-R335 PolarHBondContact OE2-NE 2.88Å; E332-R335 IonicContact OE2-NH2 2.66Å; E332-R335 PolarHBondContact OE2-NH2 2.93Å; R335-Y337 HydrophobicContact CB-CE2 4.37Å; R335-Y337 HydrophobicContact CG-CE2 3.9Å; R335-I347 WeakPolarHBondContact CA-O 3.26Å; R335-V348 HydrophobicContact CG-CG2 4.38Å
336F98.8Very high96.7Very high0 Ų035.2 Ų35.20%016%0.163CC..EExtended strand (participates in β ladder)trans-96.9145.4174.1-74.6-81.3000110.4F273 Y282 I291 M318 G319 Y320 A334 P346 I347 M349F273-F336 HydrophobicContact CB-CE1 4.35Å; F273-F336 HydrophobicContact CD2-CE1 4.13Å; F273-F336 HydrophobicContact CG-CE1 4.12Å; Y282-F336 VanDerWaalsContact CB-CZ 3.41Å; Y282-F336 AromaticContact CD1-CE2 3.56Å; Y282-F336 HydrophobicContact CD1-CE2 3.56Å; Y282-F336 AromaticContact CD1-CZ 3.75Å; Y282-F336 HydrophobicContact CD1-CZ 3.75Å; Y282-F336 HydrophobicContact CD2-CE2 4.16Å; Y282-F336 AromaticContact CD2-CZ 3.76Å; Y282-F336 HydrophobicContact CD2-CZ 3.76Å; Y282-F336 AromaticContact CE1-CE2 3.97Å; Y282-F336 HydrophobicContact CE1-CE2 3.97Å; Y282-F336 HydrophobicContact CE1-CZ 4.48Å; Y282-F336 HydrophobicContact CE2-CE2 4.5Å; Y282-F336 HydrophobicContact CE2-CZ 4.47Å; Y282-F336 AromaticContact CG-CE2 3.69Å; Y282-F336 HydrophobicContact CG-CE2 3.69Å; Y282-F336 AromaticContact CG-CZ 3.37Å; Y282-F336 HydrophobicContact CG-CZ 3.37Å; I291-F336 HydrophobicContact CD1-CB 4.15Å; I291-F336 HydrophobicContact CD1-CD1 4.39Å; I291-F336 HydrophobicContact CD1-CD2 4.05Å; I291-F336 HydrophobicContact CD1-CG 3.92Å; I291-F336 HydrophobicContact CG2-CE2 4.42Å; I291-F336 HydrophobicContact CG2-CZ 4.46Å; M318-F336 HydrophobicContact CG-CD1 3.57Å; M318-F336 HydrophobicContact CG-CE1 4.27Å; M318-F336 HydrophobicContact SD-CB 3.69Å; M318-F336 HydrophobicContact SD-CD1 3.72Å; M318-F336 HydrophobicContact SD-CG 4.09Å; G319-F336 CarbonylContact O-C 3.58Å; G319-F336 WeakPolarHBondContact O-CA 3.24Å; Y320-F336 HydrophobicContact CD2-CD1 4.05Å; Y320-F336 AromaticContact CD2-CE1 3.5Å; Y320-F336 HydrophobicContact CD2-CE1 3.5Å; Y320-F336 HydrophobicContact CD2-CE2 4.21Å; Y320-F336 AromaticContact CD2-CZ 3.55Å; Y320-F336 HydrophobicContact CD2-CZ 3.55Å; Y320-F336 HydrophobicContact CE2-CE1 4.21Å; Y320-F336 HydrophobicContact CE2-CE2 4.25Å; Y320-F336 AromaticContact CE2-CZ 3.78Å; Y320-F336 HydrophobicContact CE2-CZ 3.78Å; Y320-F336 HydrophobicContact CG-CE1 4.42Å; A334-F336 HydrophobicContact CB-CE2 4.26Å; F336-P346 CarbonylContact O-C 3.48Å; F336-P346 WeakPolarHBondContact O-CA 3.32Å; F336-I347 HydrophobicContact CB-CB 4.21Å; F336-I347 PolarHBondContact N-O 2.7Å; F336-I347 PolarHBondContact O-N 3.49Å; F336-M349 HydrophobicContact CD2-CG 3.85Å; F336-M349 HydrophobicContact CD2-SD 4.31Å; F336-M349 HydrophobicContact CE2-CG 3.88Å
337Y98.6Very high96.8Very high4 Ų434.4 Ų34.42%0.01616%0.159CC..EExtended strand (participates in β ladder)trans-114.486.4173.6-76.8-106.9000107.5Y25 V42 V47 L64 G319 M321 R335 L339 P346Y25-Y337 HydrophobicContact CE2-CD1 4.25Å; Y25-Y337 AromaticContact CE2-CE1 3.92Å; Y25-Y337 HydrophobicContact CE2-CE1 3.92Å; V42-Y337 HydrophobicContact CB-CD2 4.23Å; V42-Y337 HydrophobicContact CB-CE2 4.44Å; V42-Y337 HydrophobicContact CG1-CD2 3.86Å; V42-Y337 HydrophobicContact CG1-CE2 4.24Å; V42-Y337 HydrophobicContact CG1-CG 4.46Å; V42-Y337 HydrophobicContact CG2-CD2 3.98Å; V42-Y337 HydrophobicContact CG2-CE1 4.25Å; V42-Y337 HydrophobicContact CG2-CE2 3.7Å; V42-Y337 HydrophobicContact CG2-CG 4.41Å; V47-Y337 HydrophobicContact CB-CD1 4.15Å; V47-Y337 HydrophobicContact CB-CE1 4.15Å; V47-Y337 HydrophobicContact CG2-CD1 3.67Å; V47-Y337 HydrophobicContact CG2-CE1 4.19Å; V47-Y337 HydrophobicContact CG2-CG 4.29Å; L64-Y337 HydrophobicContact CD2-CE1 4.18Å; L64-Y337 WeakPolarHBondContact CD2-OH 3.48Å; G319-Y337 PolarHBondContact N-O 3.34Å; G319-Y337 PolarHBondContact O-N 2.88Å; M321-Y337 HydrophobicContact CB-CE2 4.25Å; M321-Y337 HydrophobicContact CE-CE2 3.78Å; M321-Y337 VanDerWaalsContact CE-OH 3.31Å; M321-Y337 WeakPolarHBondContact CE-OH 3.14Å; R335-Y337 HydrophobicContact CB-CE2 4.37Å; R335-Y337 HydrophobicContact CG-CE2 3.9Å; Y337-L339 PolarHBondContact O-N 2.99Å; Y337-P346 HydrophobicContact CD1-CG 4.16Å; Y337-P346 HydrophobicContact CE1-CG 4Å
338K98.5Very high97Very high2 Ų232 Ų321%0.00915%0.15CC..EExtended strand (participates in β ladder)trans-75.4121.9-174.2179.8178.6173.3-172.30110.1S311 E313 Q315 M318 H340 E345 I347S311-K338 PolarHBondContact OG-NZ 3.42Å; E313-K338 PolarHBondContact O-NZ 3.15Å; Q315-K338 HydrophobicContact CB-CD 4.39Å; Q315-K338 HydrophobicContact CB-CG 3.97Å; M318-K338 HydrophobicContact CE-CB 3.91Å; M318-K338 HydrophobicContact CE-CD 4.41Å; M318-K338 HydrophobicContact CE-CG 3.87Å; M318-K338 HydrophobicContact SD-CB 3.89Å; M318-K338 HydrophobicContact SD-CG 4.47Å; K338-H340 WeakPolarHBondContact CE-CE1 3.35Å; K338-H340 PolarHBondContact O-CD2 2.89Å; K338-E345 WeakPolarHBondContact CB-O 3.44Å; K338-E345 PolarHBondContact N-O 3.31Å; K338-E345 PolarHBondContact O-N 2.72Å; K338-I347 HydrophobicContact CB-CD1 3.73Å; K338-I347 HydrophobicContact CD-CD1 3.78Å; K338-I347 HydrophobicContact CG-CD1 4.39Å
339L98.2Very high97.2Very high0 Ų031.5 Ų31.50%015%0.146CC..EExtended strand (participates in β ladder)trans-85.2130.1173.9-51.2-161.6000109.9I30 F39 C40 M49 Q315 K316 G317 Y337I30-L339 HydrophobicContact CD1-CD1 4.36Å; I30-L339 HydrophobicContact CG1-CB 4.49Å; I30-L339 HydrophobicContact CG2-CB 4.3Å; I30-L339 HydrophobicContact CG2-CD1 3.74Å; F39-L339 HydrophobicContact CB-CD1 3.73Å; C40-L339 HydrophobicContact CB-CD1 3.9Å; C40-L339 HydrophobicContact CB-CD2 3.82Å; C40-L339 HydrophobicContact CB-CG 3.9Å; M49-L339 HydrophobicContact CE-CD1 4.48Å; M49-L339 HydrophobicContact CE-CD2 3.1Å; M49-L339 HydrophobicContact CE-CG 4.32Å; M49-L339 HydrophobicContact CG-CD2 4.35Å; Q315-L339 CarbonylContact C-O 3.51Å; Q315-L339 VanDerWaalsContact CA-O 3.32Å; Q315-L339 WeakPolarHBondContact CA-O 3.42Å; K316-L339 HydrophobicContact CB-CB 4.31Å; K316-L339 PolarHBondContact N-O 2.86Å; G317-L339 PolarHBondContact O-N 2.98Å; Y337-L339 PolarHBondContact O-N 2.99Å
340H96.3Very high97.5Very high6 Ų625.8 Ų25.83%0.02812%0.117CC..  trans-107.9-170.4165.5-56.9-99.6000108.3I30 E313 K338 R342 K343 E345I30-H340 WeakPolarHBondContact CG1-O 3.39Å; E313-H340 WeakPolarHBondContact CB-ND1 3.44Å; E313-H340 IonicContact OE2-CE1 2.71Å; E313-H340 IonicContact OE2-CG 2.9Å; E313-H340 IonicContact OE2-ND1 3.1Å; E313-H340 PolarHBondContact OE2-ND1 2.66Å; K338-H340 WeakPolarHBondContact CE-CE1 3.35Å; K338-H340 PolarHBondContact O-CD2 2.89Å; H340-R342 VanDerWaalsContact C-N 3.34Å; H340-R342 PolarHBondContact O-N 2.95Å; H340-K343 HydrophobicContact CB-CD 4.48Å; H340-K343 HydrophobicContact CB-CG 3.61Å; H340-K343 WeakPolarHBondContact CD2-CE 3.33Å; H340-K343 VanDerWaalsContact CG-CE 3.43Å; H340-K343 PolarHBondContact N-O 3.4Å; H340-K343 WeakPolarHBondContact NE2-CE 3.15Å; H340-E345 IonicContact CE1-OE2 3.16Å; H340-E345 PolarHBondContact CE1-OE2 3.49Å; H340-E345 WeakPolarHBondContact NE2-CB 3.26Å; H340-E345 IonicContact NE2-OE2 3.22Å; H340-E345 PolarHBondContact NE2-OE2 3.48Å
341E94Very high97.7Very high137 Ų13719.3 Ų19.364%0.649%0.088SC*.SBendtrans-65.6-38.8179.1-169.3179.216400112.7I30I30-E341 PolarHBondContact N-O 2.79Å
342R95.4Very high97.7Very high105 Ų10522.3 Ų22.340%0.39611%0.108SC..SBendtrans-1298.5-171.8-65.2-65.7-67.1-98-11.7115.3D27 I28 H340D27-R342 PolarHBondContact N-O 2.74Å; D27-R342 IonicContact OD1-NH2 3.14Å; D27-R342 PolarHBondContact OD1-NH2 3.5Å; D27-R342 VanDerWaalsContact OD1-NH2 3.14Å; I28-R342 PolarHBondContact N-O 3.11Å; I28-R342 CarbonylContact O-C 3.55Å; I28-R342 WeakPolarHBondContact O-CA 3.42Å; H340-R342 VanDerWaalsContact C-N 3.34Å; H340-R342 PolarHBondContact O-N 2.95Å
343K95.7Very high97.5Very high36 Ų3626.7 Ų26.716%0.15713%0.125CC..EExtended strand (participates in β ladder)trans-149.1153.3-177.964.7170.4178.3177.60113Y25 D26 E313 H340 E345Y25-K343 CarbonylContact O-C 3.33Å; Y25-K343 WeakPolarHBondContact O-CA 3.34Å; D26-K343 WeakPolarHBondContact OD1-CB 3.19Å; E313-K343 VanDerWaalsContact CD-NZ 3.35Å; E313-K343 IonicContact OE1-NZ 3.46Å; E313-K343 PolarHBondContact OE1-NZ 3.18Å; E313-K343 WeakPolarHBondContact OE2-CE 3.06Å; E313-K343 IonicContact OE2-NZ 3.53Å; E313-K343 PolarHBondContact OE2-NZ 3.42Å; E313-K343 VanDerWaalsContact OE2-NZ 3.16Å; H340-K343 HydrophobicContact CB-CD 4.48Å; H340-K343 HydrophobicContact CB-CG 3.61Å; H340-K343 WeakPolarHBondContact CD2-CE 3.33Å; H340-K343 VanDerWaalsContact CG-CE 3.43Å; H340-K343 PolarHBondContact N-O 3.4Å; H340-K343 WeakPolarHBondContact NE2-CE 3.15Å; K343-E345 IonicContact NZ-OE1 2.85Å; K343-E345 PolarHBondContact NZ-OE1 2.7Å
344C98.2Very high96.9Very high0 Ų037.3 Ų37.30%017%0.171CC..EExtended strand (participates in β ladder)trans-101.4126.2159.6-163.60000109.5C24 Y25 M49C24-C344 WeakPolarHBondContact CA-O 3.36Å; C24-C344 WeakPolarHBondContact CB-O 3.31Å; Y25-C344 HydrophobicContact CD2-CB 3.7Å; Y25-C344 HydrophobicContact CG-CB 4.1Å; Y25-C344 PolarHBondContact N-O 3.43Å; Y25-C344 PolarHBondContact O-N 3.48Å; M49-C344 HydrophobicContact CE-CB 3.23Å; M49-C344 HydrophobicContact SD-CB 3.91Å
345E98.3Very high96.3Very high25 Ų2539.4 Ų39.412%0.11719%0.185CC..EExtended strand (participates in β ladder)trans-118.7108-179.8-178.2177.6-106.700110A18 K338 H340 K343A18-E345 HydrophobicContact CB-CG 4.32Å; K338-E345 WeakPolarHBondContact CB-O 3.44Å; K338-E345 PolarHBondContact N-O 3.31Å; K338-E345 PolarHBondContact O-N 2.72Å; H340-E345 IonicContact CE1-OE2 3.16Å; H340-E345 PolarHBondContact CE1-OE2 3.49Å; H340-E345 WeakPolarHBondContact NE2-CB 3.26Å; H340-E345 IonicContact NE2-OE2 3.22Å; H340-E345 PolarHBondContact NE2-OE2 3.48Å; K343-E345 IonicContact NZ-OE1 2.85Å; K343-E345 PolarHBondContact NZ-OE1 2.7Å
346P98.5Very high95.5Very high7 Ų746.3 Ų46.35%0.04522%0.224CC..EExtended strand (participates in β ladder)trans-62.9135.4170.3-2433.3000112.4V19 Y25 F336 Y337V19-P346 HydrophobicContact CB-CB 4.45Å; V19-P346 HydrophobicContact CG1-CB 3.86Å; V19-P346 HydrophobicContact CG2-CB 3.74Å; V19-P346 HydrophobicContact CG2-CG 3.86Å; V19-P346 WeakPolarHBondContact CG2-O 3.41Å; V19-P346 PolarHBondContact N-O 3.43Å; Y25-P346 HydrophobicContact CE2-CG 4.02Å; F336-P346 CarbonylContact O-C 3.48Å; F336-P346 WeakPolarHBondContact O-CA 3.32Å; Y337-P346 HydrophobicContact CD1-CG 4.16Å; Y337-P346 HydrophobicContact CE1-CG 4Å
347I98.6Very high95.1Very high0 Ų052.8 Ų52.80%026%0.258CS..EExtended strand (participates in β ladder)trans-124.4116.8174.6-57.2161000107.9Q17 I291 F309 R335 F336 K338 M349Q17-I347 WeakPolarHBondContact O-CA 3.41Å; I291-I347 HydrophobicContact CD1-CD1 3.9Å; F309-I347 HydrophobicContact CD1-CD1 4.08Å; F309-I347 HydrophobicContact CD1-CG2 4.26Å; F309-I347 HydrophobicContact CD2-CG2 4.16Å; F309-I347 HydrophobicContact CE1-CD1 3.49Å; F309-I347 VanDerWaalsContact CE1-CD1 3.49Å; F309-I347 HydrophobicContact CE1-CG1 4.14Å; F309-I347 HydrophobicContact CE1-CG2 4.17Å; F309-I347 HydrophobicContact CE2-CG2 4.04Å; F309-I347 HydrophobicContact CG-CG2 4.26Å; F309-I347 HydrophobicContact CZ-CD1 4.02Å; F309-I347 HydrophobicContact CZ-CG1 4.16Å; F309-I347 HydrophobicContact CZ-CG2 4.04Å; R335-I347 WeakPolarHBondContact CA-O 3.26Å; F336-I347 HydrophobicContact CB-CB 4.21Å; F336-I347 PolarHBondContact N-O 2.7Å; F336-I347 PolarHBondContact O-N 3.49Å; K338-I347 HydrophobicContact CB-CD1 3.73Å; K338-I347 HydrophobicContact CD-CD1 3.78Å; K338-I347 HydrophobicContact CG-CD1 4.39Å; I347-M349 HydrophobicContact CG2-SD 4.17Å
348V98.6Very high94.8Very high29 Ų2954.6 Ų54.618%0.17627%0.266CS..EExtended strand (participates in β ladder)trans-91.5125.2-177.4177.10000109.1G16 Q17 V19 E332 R335 T350G16-V348 CarbonylContact C-O 3.59Å; G16-V348 WeakPolarHBondContact CA-O 3.36Å; Q17-V348 PolarHBondContact N-O 2.94Å; Q17-V348 PolarHBondContact O-N 3.16Å; V19-V348 HydrophobicContact CG1-CG2 3.99Å; E332-V348 HydrophobicContact CB-CG1 4.17Å; E332-V348 HydrophobicContact CG-CG1 3.82Å; E332-V348 WeakPolarHBondContact OE1-CG1 3.47Å; R335-V348 HydrophobicContact CG-CG2 4.38Å; V348-T350 WeakPolarHBondContact CG1-OG1 3.28Å
349M98.6Very high94.6Very high0 Ų055.5 Ų55.50%027%0.27CS..EExtended strand (participates in β ladder)trans-99.9115.1174.8-54-56.8-64.800109.4V14 F15 G16 Y282 Y293 I333 A334 F336 I347V14-M349 HydrophobicContact CG1-CB 4.43Å; V14-M349 HydrophobicContact CG1-CE 4.06Å; F15-M349 WeakPolarHBondContact O-CA 3.5Å; G16-M349 WeakPolarHBondContact CA-SD 3.15Å; Y282-M349 HydrophobicContact CD1-CE 4.48Å; Y282-M349 HydrophobicContact CE1-CB 4.46Å; Y282-M349 HydrophobicContact CE1-CE 3.94Å; Y282-M349 HydrophobicContact CE1-CG 3.97Å; Y293-M349 HydrophobicContact CD1-CE 3.76Å; Y293-M349 HydrophobicContact CE1-CE 3.34Å; Y293-M349 HydrophobicContact CE2-CE 4.36Å; Y293-M349 HydrophobicContact CG-CE 4.45Å; I333-M349 HydrophobicContact CG1-CB 4.34Å; I333-M349 WeakPolarHBondContact CG1-O 3.24Å; I333-M349 PolarHBondContact N-O 2.99Å; A334-M349 HydrophobicContact CB-CB 3.98Å; A334-M349 HydrophobicContact CB-CG 4Å; A334-M349 WeakPolarHBondContact O-CB 3.37Å; A334-M349 PolarHBondContact O-N 3.13Å; F336-M349 HydrophobicContact CD2-CG 3.85Å; F336-M349 HydrophobicContact CD2-SD 4.31Å; F336-M349 HydrophobicContact CE2-CG 3.88Å; I347-M349 HydrophobicContact CG2-SD 4.17Å
350T98.4Very high94.3Very high18 Ų1861.7 Ų61.711%0.1130%0.3CS..EExtended strand (participates in β ladder)trans-118.6136.7-169.8-580000111.8V14 F15 K330 C331 V348V14-T350 WeakPolarHBondContact CA-O 3.31Å; F15-T350 HydrophobicContact CE1-CG2 4.15Å; F15-T350 HydrophobicContact CZ-CG2 4.17Å; F15-T350 PolarHBondContact N-O 2.97Å; F15-T350 VanDerWaalsContact N-O 3.17Å; F15-T350 PolarHBondContact O-N 3.26Å; K330-T350 WeakPolarHBondContact O-CG2 3.45Å; C331-T350 HydrophobicContact CB-CG2 4.45Å; C331-T350 WeakPolarHBondContact O-CA 3.42Å; V348-T350 WeakPolarHBondContact CG1-OG1 3.28Å
351V97.9Very high94.2Very high3 Ų364.6 Ų64.62%0.01832%0.315CS..  trans-88.2116.2163.3-178.40000108.1F11 V14 C331 I333 R353 L362F11-V351 HydrophobicContact CD1-CG2 3.95Å; F11-V351 HydrophobicContact CE1-CG2 4.31Å; V14-V351 HydrophobicContact CG2-CG2 3.7Å; C331-V351 WeakPolarHBondContact CB-O 3.3Å; C331-V351 PolarHBondContact O-N 3.46Å; I333-V351 HydrophobicContact CB-CG2 4.49Å; I333-V351 HydrophobicContact CD1-CG2 3.79Å; I333-V351 HydrophobicContact CG1-CG2 4.11Å; I333-V351 HydrophobicContact CG2-CG2 3.62Å; V351-R353 HydrophobicContact CG1-CG 4.2Å; V351-R353 PolarHBondContact O-N 2.84Å; V351-L362 HydrophobicContact CB-CD1 3.85Å; V351-L362 HydrophobicContact CB-CD2 4.49Å; V351-L362 HydrophobicContact CG1-CD1 4Å; V351-L362 HydrophobicContact CG1-CD2 4.21Å; V351-L362 HydrophobicContact CG2-CD1 4.19Å; V351-L362 HydrophobicContact CG2-CD2 4.19Å
352P96.1Very high94.3Very high71 Ų7158.1 Ų58.146%0.46129%0.285SS..  trans-71.497-177.826.8-32.4000111H13 F15H13-P352 HydrophobicContact CB-CG 3.78Å; H13-P352 WeakPolarHBondContact O-CD 3.29Å; H13-P352 WeakPolarHBondContact O-CG 3.41Å; F15-P352 HydrophobicContact CD1-CG 4.42Å; F15-P352 HydrophobicContact CE1-CB 4.06Å; F15-P352 HydrophobicContact CE1-CG 4.33Å
353R92.8Very high94.3Very high92 Ų9253.3 Ų53.335%0.34727%0.267SS..  trans-112.4149.4168.8-64.9-69.4-176.998.2-1.3109.9V351 Q359 D361 L362V351-R353 HydrophobicContact CG1-CG 4.2Å; V351-R353 PolarHBondContact O-N 2.84Å; R353-Q359 HydrophobicContact CG-CG 4.47Å; R353-D361 IonicContact CZ-OD2 2.72Å; R353-D361 IonicContact NH1-OD1 2.89Å; R353-D361 PolarHBondContact NH1-OD1 3.06Å; R353-D361 IonicContact NH1-OD2 3.21Å; R353-D361 PolarHBondContact NH1-OD2 2.73Å; R353-D361 IonicContact NH2-OD1 3.81Å; R353-D361 IonicContact NH2-OD2 3.68Å; R353-D361 PolarHBondContact NH2-OD2 2.83Å; R353-L362 HydrophobicContact CG-CD1 4.25Å
354K85.4Confident94.3Very high222 Ų22254 Ų5497%0.96528%0.275SS*.  trans-109.370.6173.6-65.7-175.9-180-178.10108.6
355S86.5Confident94.2Very high44 Ų4458.2 Ų58.231%0.30830%0.297SS..  trans-152137.4179.5-1710000109.9L357 Q359S355-L357 VanDerWaalsContact C-N 3.29Å; S355-L357 PolarHBondContact OG-N 2.75Å; S355-Q359 PolarHBondContact OG-NE2 3.24Å
356D82.5Confident94.1Very high172 Ų17257.3 Ų57.392%0.9229%0.294SS*.SBendtrans-88.1-2.5172.3-55.2-45.3000111.8
357L90.4Very high93.8Very high135 Ų13559.3 Ų59.371%0.70730%0.303SS*.SBendtrans-83.4147.4177.3-59176.5000110.5S355 Q359S355-L357 VanDerWaalsContact C-N 3.29Å; S355-L357 PolarHBondContact OG-N 2.75Å; L357-Q359 PolarHBondContact O-N 3.1Å; L357-Q359 PolarHBondContact O-NE2 2.73Å
358F92.1Very high93.5Very high42 Ų4259.5 Ų59.518%0.18431%0.305CS..  trans-57.5126.3170.9-178.8-107.1000110.7V328 E360 Y363 L391 K392V328-F358 HydrophobicContact CB-CE2 4.19Å; V328-F358 HydrophobicContact CG2-CD2 4.41Å; V328-F358 HydrophobicContact CG2-CE2 4.3Å; F358-E360 HydrophobicContact CD1-CG 3.58Å; F358-E360 HydrophobicContact CE1-CB 4.45Å; F358-E360 HydrophobicContact CE1-CG 3.78Å; F358-E360 PolarHBondContact O-N 3.48Å; F358-Y363 HydrophobicContact CD2-CD2 4.45Å; F358-Y363 AromaticContact CE2-CD2 3.86Å; F358-Y363 HydrophobicContact CE2-CD2 3.86Å; F358-Y363 HydrophobicContact CE2-CG 4.15Å; F358-Y363 HydrophobicContact CZ-CD2 4.23Å; F358-Y363 HydrophobicContact CZ-CG 4.23Å; F358-L391 HydrophobicContact CE2-CB 4.46Å; F358-L391 HydrophobicContact CZ-CB 4.49Å; F358-K392 HydrophobicContact CB-CG 4.39Å; F358-K392 HydrophobicContact CD1-CB 4.1Å; F358-K392 HydrophobicContact CD1-CD 4.26Å; F358-K392 HydrophobicContact CD1-CG 3.98Å; F358-K392 HydrophobicContact CD2-CB 4.39Å; F358-K392 HydrophobicContact CD2-CG 4.44Å; F358-K392 HydrophobicContact CE1-CB 3.97Å; F358-K392 HydrophobicContact CE1-CG 4.37Å; F358-K392 HydrophobicContact CE2-CB 4.27Å; F358-K392 HydrophobicContact CG-CB 4.3Å; F358-K392 HydrophobicContact CG-CG 4.02Å; F358-K392 HydrophobicContact CZ-CB 4.05Å
359Q93.4Very high93.2Very high21 Ų2158.8 Ų58.810%0.09830%0.301CS..  trans-89.883.6-177.1-58-62.7-75.300110.2R353 S355 L357 D361 L362 Y363R353-Q359 HydrophobicContact CG-CG 4.47Å; S355-Q359 PolarHBondContact OG-NE2 3.24Å; L357-Q359 PolarHBondContact O-N 3.1Å; L357-Q359 PolarHBondContact O-NE2 2.73Å; Q359-D361 PolarHBondContact O-N 3.18Å; Q359-D361 VanDerWaalsContact O-N 3.13Å; Q359-L362 HydrophobicContact CB-CB 4.07Å; Q359-L362 HydrophobicContact CB-CD1 3.85Å; Q359-L362 HydrophobicContact CB-CG 3.88Å; Q359-L362 HydrophobicContact CG-CD1 4.12Å; Q359-L362 PolarHBondContact O-N 2.9Å; Q359-Y363 HydrophobicContact CB-CD2 4.35Å; Q359-Y363 HydrophobicContact CB-CE2 4.4Å; Q359-Y363 WeakPolarHBondContact O-CD2 3.46Å; Q359-Y363 PolarHBondContact O-N 3.02Å; Q359-Y363 VanDerWaalsContact O-N 3.16Å
360E93.4Very high93Very high131 Ų13162.4 Ų62.461%0.61232%0.318SS*.THydrogen-bonded Turntrans-56.6-29.2-179.3-66-179.1177.200112.7F358 L362 Y363F358-E360 HydrophobicContact CD1-CG 3.58Å; F358-E360 HydrophobicContact CE1-CB 4.45Å; F358-E360 HydrophobicContact CE1-CG 3.78Å; F358-E360 PolarHBondContact O-N 3.48Å; E360-L362 VanDerWaalsContact C-N 3.3Å; E360-L362 PolarHBondContact O-N 3.39Å; E360-Y363 CarbonylContact O-C 3.6Å; E360-Y363 PolarHBondContact O-N 2.78Å
361D93.9Very high92.8Very high66 Ų6662.2 Ų62.235%0.35332%0.317SS..THydrogen-bonded Turntrans-70.5-24.4176.673-60.2000113.5K10 R353 Q359K10-D361 PolarHBondContact NZ-O 3.05Å; R353-D361 IonicContact CZ-OD2 2.72Å; R353-D361 IonicContact NH1-OD1 2.89Å; R353-D361 PolarHBondContact NH1-OD1 3.06Å; R353-D361 IonicContact NH1-OD2 3.21Å; R353-D361 PolarHBondContact NH1-OD2 2.73Å; R353-D361 IonicContact NH2-OD1 3.81Å; R353-D361 IonicContact NH2-OD2 3.68Å; R353-D361 PolarHBondContact NH2-OD2 2.83Å; Q359-D361 PolarHBondContact O-N 3.18Å; Q359-D361 VanDerWaalsContact O-N 3.13Å
362L95Very high92.7Very high1 Ų163.4 Ų63.41%0.00533%0.326CS..THydrogen-bonded Turntrans-91.7-24.8177.2-59.7-175.5000112.6K10 F11 C331 V351 R353 Q359 E360 P364K10-L362 HydrophobicContact CD-CD2 4.32Å; F11-L362 HydrophobicContact CE1-CD2 3.9Å; C331-L362 HydrophobicContact CB-CD1 4.29Å; V351-L362 HydrophobicContact CB-CD1 3.85Å; V351-L362 HydrophobicContact CB-CD2 4.49Å; V351-L362 HydrophobicContact CG1-CD1 4Å; V351-L362 HydrophobicContact CG1-CD2 4.21Å; V351-L362 HydrophobicContact CG2-CD1 4.19Å; V351-L362 HydrophobicContact CG2-CD2 4.19Å; R353-L362 HydrophobicContact CG-CD1 4.25Å; Q359-L362 HydrophobicContact CB-CB 4.07Å; Q359-L362 HydrophobicContact CB-CD1 3.85Å; Q359-L362 HydrophobicContact CB-CG 3.88Å; Q359-L362 HydrophobicContact CG-CD1 4.12Å; Q359-L362 PolarHBondContact O-N 2.9Å; E360-L362 VanDerWaalsContact C-N 3.3Å; E360-L362 PolarHBondContact O-N 3.39Å; L362-P364 WeakPolarHBondContact O-CD 3.46Å
363Y96.3Very high92.7Very high4 Ų460.1 Ų60.12%0.01630%0.304CS..  trans-127.971.9-172.7-55.6-66.6000110.3V328 C331 E332 I333 F358 Q359 E360 L391V328-Y363 HydrophobicContact CB-CD2 4.22Å; V328-Y363 HydrophobicContact CB-CE1 4.38Å; V328-Y363 HydrophobicContact CB-CE2 3.91Å; V328-Y363 HydrophobicContact CG1-CD1 3.98Å; V328-Y363 HydrophobicContact CG1-CD2 4.33Å; V328-Y363 HydrophobicContact CG1-CE1 3.86Å; V328-Y363 HydrophobicContact CG1-CE2 4.23Å; V328-Y363 HydrophobicContact CG1-CG 4.21Å; C331-Y363 WeakPolarHBondContact CA-OH 3.41Å; E332-Y363 VanDerWaalsContact C-OH 3.24Å; E332-Y363 PolarHBondContact N-OH 2.86Å; E332-Y363 VanDerWaalsContact N-OH 3.07Å; E332-Y363 WeakPolarHBondContact O-CE1 3.4Å; E332-Y363 PolarHBondContact O-OH 3.05Å; I333-Y363 HydrophobicContact CG2-CE1 4.44Å; F358-Y363 HydrophobicContact CD2-CD2 4.45Å; F358-Y363 AromaticContact CE2-CD2 3.86Å; F358-Y363 HydrophobicContact CE2-CD2 3.86Å; F358-Y363 HydrophobicContact CE2-CG 4.15Å; F358-Y363 HydrophobicContact CZ-CD2 4.23Å; F358-Y363 HydrophobicContact CZ-CG 4.23Å; Q359-Y363 HydrophobicContact CB-CD2 4.35Å; Q359-Y363 HydrophobicContact CB-CE2 4.4Å; Q359-Y363 WeakPolarHBondContact O-CD2 3.46Å; Q359-Y363 PolarHBondContact O-N 3.02Å; Q359-Y363 VanDerWaalsContact O-N 3.16Å; E360-Y363 CarbonylContact O-C 3.6Å; E360-Y363 PolarHBondContact O-N 2.78Å; Y363-L391 HydrophobicContact CD1-CD1 4.11Å
364P96.4Very high92.8Very high51 Ų5158.5 Ų58.533%0.33130%0.303SS..  trans-61.8167166.231.7-36.1000109.9D277 L362 T366D277-P364 HydrophobicContact CB-CG 3.8Å; L362-P364 WeakPolarHBondContact O-CD 3.46Å; P364-T366 PolarHBondContact O-N 2.75Å
365D96Very high93.3Very high88 Ų8848.3 Ų48.347%0.47126%0.26SS..  trans-57.2126.8173.4-67.5-18.6000110.1L388 I389 S390D365-L388 HydrophobicContact CB-CB 3.98Å; D365-L388 HydrophobicContact CB-CD1 4.36Å; D365-I389 WeakPolarHBondContact CA-O 3.22Å; D365-S390 WeakPolarHBondContact OD1-CA 3.08Å; D365-S390 WeakPolarHBondContact OD1-CB 3.23Å
366T95.1Very high93.6Very high6 Ų649.4 Ų49.44%0.03726%0.262CS..EExtended strand (participates in β ladder)trans-112.8169-171.2-164.80000111D277 K323 P364 G368 L388 I389 L391D277-T366 WeakPolarHBondContact OD2-CB 3.41Å; D277-T366 PolarHBondContact OD2-OG1 2.94Å; K323-T366 HydrophobicContact CB-CG2 3.89Å; K323-T366 WeakPolarHBondContact CG-OG1 3.31Å; P364-T366 PolarHBondContact O-N 2.75Å; T366-G368 PolarHBondContact O-N 2.89Å; T366-L388 CarbonylContact O-C 3.54Å; T366-L388 WeakPolarHBondContact O-CA 3.35Å; T366-I389 HydrophobicContact CG2-CG1 4.23Å; T366-I389 PolarHBondContact N-O 3.29Å; T366-I389 PolarHBondContact O-N 3.05Å; T366-L391 HydrophobicContact CG2-CD1 4.03Å; T366-L391 HydrophobicContact CG2-CD2 3.73Å; T366-L391 HydrophobicContact CG2-CG 3.8Å
367I93.1Very high94.3Very high49 Ų4944.7 Ų44.725%0.25124%0.235SC..EExtended strand (participates in β ladder)trans-64.7120.9179-58.6178000109.8R185 P386 L388R185-I367 HydrophobicContact CG-CD1 4.27Å; I367-P386 HydrophobicContact CB-CB 4.41Å; I367-P386 HydrophobicContact CD1-CB 4.18Å; I367-P386 HydrophobicContact CD1-CG 4.12Å; I367-P386 HydrophobicContact CG1-CB 3.89Å; I367-P386 HydrophobicContact CG1-CG 4.02Å; I367-P386 HydrophobicContact CG2-CB 3.89Å; I367-L388 HydrophobicContact CG1-CD2 4.25Å
368G92.5Very high94.6Very high4 Ų438.4 Ų38.44%0.04120%0.201CC..  trans-82.8176.6176.600000113.5T366 E370 V387T366-G368 PolarHBondContact O-N 2.89Å; G368-E370 VanDerWaalsContact C-N 3.29Å; G368-V387 PolarHBondContact N-O 3.2Å
369P92.3Very high94.8Very high14 Ų1438 Ų389%0.09120%0.2CC..SBendtrans-79.5-11.9176.934.7-34.1000112.5H92 P371 T398H92-P369 WeakPolarHBondContact CA-O 3.5Å; H92-P369 VanDerWaalsContact CB-O 3.22Å; H92-P369 WeakPolarHBondContact CB-O 3.34Å; H92-P369 PolarHBondContact CD2-O 3.04Å; P369-P371 WeakPolarHBondContact O-CD 3.17Å; P369-T398 HydrophobicContact CB-CG2 4.48Å; P369-T398 HydrophobicContact CG-CG2 4.34Å
370E93.4Very high95Very high77 Ų7743.9 Ų43.936%0.3623%0.232SC..SBendtrans-78124.1-178-66.6-60.7152.300110.5G368 V387G368-E370 VanDerWaalsContact C-N 3.29Å; E370-V387 HydrophobicContact CB-CB 4.26Å; E370-V387 HydrophobicContact CB-CG1 4.32Å; E370-V387 HydrophobicContact CB-CG2 4.4Å
371P95.1Very high95Very high14 Ų1439.6 Ų39.69%0.09122%0.223CC..  trans-71.3143.6174.830-32.6000110T142 H144 P369 K402T142-P371 CarbonylContact O-C 3.59Å; H144-P371 HydrophobicContact CB-CB 3.69Å; H144-P371 HydrophobicContact CB-CG 3.66Å; P369-P371 WeakPolarHBondContact O-CD 3.17Å; P371-K402 HydrophobicContact CG-CD 4.08Å
372S95.4Very high95.1Very high27 Ų2741 Ų4119%0.18923%0.226CC..SBendtrans-80.6-28.4179.9-53.10000112.9T142 P385 P386 V387T142-S372 PolarHBondContact O-N 2.93Å; S372-P385 VanDerWaalsContact CB-O 3.3Å; S372-P385 WeakPolarHBondContact CB-O 3.49Å; S372-P385 PolarHBondContact OG-O 3.32Å; S372-P386 WeakPolarHBondContact OG-CA 3.49Å; S372-V387 PolarHBondContact OG-N 3.03Å
373V95.8Very high95Very high2 Ų245.4 Ų45.41%0.01225%0.247CC..EExtended strand (participates in β ladder)trans-142.2157.4179.3-67.90000110.5T142 A143 H144 W378 K382 A384T142-V373 PolarHBondContact O-N 2.79Å; A143-V373 CarbonylContact C-O 3.55Å; A143-V373 VanDerWaalsContact CA-O 3.32Å; A143-V373 WeakPolarHBondContact CA-O 3.48Å; A143-V373 HydrophobicContact CB-CG2 3.76Å; H144-V373 PolarHBondContact N-O 3.2Å; V373-W378 HydrophobicContact CG2-CB 3.87Å; V373-W378 HydrophobicContact CG2-CG 4.4Å; V373-K382 HydrophobicContact CG1-CB 4.48Å; V373-K382 HydrophobicContact CG1-CD 3.69Å; V373-K382 HydrophobicContact CG1-CG 3.91Å; V373-A384 HydrophobicContact CG1-CB 3.75Å
374D94.9Very high94.8Very high59 Ų5946.3 Ų46.332%0.31626%0.255SS..EExtended strand (participates in β ladder)trans-88.6158.2169.3-74-53.5000111.3H144 D376 E377 W378 K402H144-D374 WeakPolarHBondContact CB-OD1 3.42Å; H144-D374 IonicContact CG-OD1 3.93Å; H144-D374 IonicContact ND1-OD1 3.85Å; H144-D374 PolarHBondContact ND1-OD1 2.85Å; D374-D376 VanDerWaalsContact C-N 3.35Å; D374-D376 PolarHBondContact O-N 2.88Å; D374-E377 HydrophobicContact CB-CG 4.49Å; D374-E377 PolarHBondContact N-OE2 3.29Å; D374-E377 PolarHBondContact O-N 2.85Å; D374-E377 VanDerWaalsContact O-N 3.07Å; D374-W378 PolarHBondContact O-N 3.41Å; D374-K402 IonicContact OD1-NZ 3.3Å; D374-K402 PolarHBondContact OD1-NZ 3.07Å; D374-K402 IonicContact OD2-NZ 2.74Å; D374-K402 PolarHBondContact OD2-NZ 2.98Å
375A94.9Very high94.7Very high7 Ų748.7 Ų48.76%0.05827%0.27CS..Hα-helixtrans-48.8-51.8-177.300000113.2H144 V146 N160 E377 W378 F379H144-A375 WeakPolarHBondContact O-CB 3.44Å; H144-A375 PolarHBondContact O-N 2.93Å; V146-A375 HydrophobicContact CG2-CB 3.63Å; N160-A375 HydrophobicContact CB-CB 4.46Å; A375-E377 VanDerWaalsContact C-N 3.27Å; A375-E377 PolarHBondContact O-N 3.48Å; A375-W378 PolarHBondContact O-N 2.97Å; A375-W378 VanDerWaalsContact O-N 3.16Å; A375-F379 HydrophobicContact CB-CD2 4.31Å; A375-F379 HydrophobicContact CB-CE2 4.24Å; A375-F379 WeakPolarHBondContact O-CD2 3.46Å; A375-F379 PolarHBondContact O-N 2.88Å
376D94.3Very high94.6Very high67 Ų6745.3 Ų45.336%0.35825%0.253SS..Hα-helixtrans-60.5-37.6-177.9-66.2-31000111.9N160 R163 D374 N380N160-D376 PolarHBondContact ND2-OD1 3.41Å; R163-D376 IonicContact CZ-OD1 2.7Å; R163-D376 IonicContact CZ-OD2 2.88Å; R163-D376 IonicContact NE-OD1 3.11Å; R163-D376 IonicContact NE-OD2 3.15Å; R163-D376 IonicContact NH1-OD1 2.95Å; R163-D376 VanDerWaalsContact NH2-CG 3.27Å; R163-D376 IonicContact NH2-OD1 2.65Å; R163-D376 PolarHBondContact NH2-OD1 2.9Å; R163-D376 IonicContact NH2-OD2 3.58Å; R163-D376 PolarHBondContact NH2-OD2 3.29Å; D374-D376 VanDerWaalsContact C-N 3.35Å; D374-D376 PolarHBondContact O-N 2.88Å; D376-N380 WeakPolarHBondContact O-CB 3.22Å; D376-N380 VanDerWaalsContact O-CG 3.24Å; D376-N380 PolarHBondContact O-N 2.84Å; D376-N380 PolarHBondContact O-ND2 3.28Å
377E96Very high94.6Very high74 Ų7447.9 Ų47.935%0.34627%0.269SS..Hα-helixtrans-69-42.5177.7-55.8-173121.600111.4D374 A375 N380 G381 K382D374-E377 HydrophobicContact CB-CG 4.49Å; D374-E377 PolarHBondContact N-OE2 3.29Å; D374-E377 PolarHBondContact O-N 2.85Å; D374-E377 VanDerWaalsContact O-N 3.07Å; A375-E377 VanDerWaalsContact C-N 3.27Å; A375-E377 PolarHBondContact O-N 3.48Å; E377-N380 CarbonylContact O-C 3.57Å; E377-N380 PolarHBondContact O-N 3.36Å; E377-G381 PolarHBondContact O-N 2.77Å; E377-K382 HydrophobicContact CB-CB 4.07Å; E377-K382 HydrophobicContact CB-CD 3.71Å; E377-K382 HydrophobicContact CG-CD 4.3Å; E377-K382 WeakPolarHBondContact O-CB 3.32Å; E377-K382 PolarHBondContact O-N 3.02Å; E377-K382 IonicContact OE1-NZ 3.42Å; E377-K382 PolarHBondContact OE1-NZ 3.18Å; E377-K382 IonicContact OE2-NZ 2.69Å; E377-K382 PolarHBondContact OE2-NZ 3.49Å
378W97.3Very high94.7Very high2 Ų249.4 Ų49.41%0.00828%0.277CS..Hα-helixtrans-65.6-46.1-178.9-179.181.1000112.4H140 A143 V146 L158 W183 G187 P204 R205 V373 D374 A375 N380 G381 K382H140-W378 AromaticContact CD2-CE2 3.89Å; H140-W378 AromaticContact CD2-CZ2 3.83Å; H140-W378 AromaticContact CE1-CD1 3.82Å; H140-W378 AromaticContact CE1-CE2 3.89Å; H140-W378 AromaticContact CE1-NE1 3.45Å; H140-W378 PolarHBondContact CE1-NE1 2.94Å; H140-W378 AromaticContact NE2-CD1 3.84Å; H140-W378 AromaticContact NE2-CD2 3.89Å; H140-W378 AromaticContact NE2-CE2 3.14Å; H140-W378 AromaticContact NE2-CZ2 3.34Å; H140-W378 VanDerWaalsContact NE2-CZ2 3.34Å; H140-W378 WeakPolarHBondContact NE2-CZ2 3.41Å; H140-W378 AromaticContact NE2-NE1 3.08Å; H140-W378 PolarHBondContact NE2-NE1 3.23Å; A143-W378 HydrophobicContact CB-CB 3.91Å; A143-W378 HydrophobicContact CB-CD2 4.48Å; A143-W378 HydrophobicContact CB-CG 3.92Å; V146-W378 HydrophobicContact CG1-CE3 4.24Å; V146-W378 HydrophobicContact CG1-CZ3 4.05Å; V146-W378 HydrophobicContact CG2-CE3 4.23Å; L158-W378 HydrophobicContact CD1-CH2 4Å; L158-W378 HydrophobicContact CD1-CZ3 4.23Å; W183-W378 AromaticContact CH2-CH2 3.64Å; W183-W378 HydrophobicContact CH2-CH2 3.64Å; W183-W378 AromaticContact CH2-CZ2 3.93Å; W183-W378 HydrophobicContact CH2-CZ2 3.93Å; W183-W378 HydrophobicContact CZ3-CH2 4.03Å; W183-W378 AromaticContact CZ3-CZ2 3.85Å; W183-W378 HydrophobicContact CZ3-CZ2 3.85Å; G187-W378 WeakPolarHBondContact O-CZ2 3.34Å; P204-W378 HydrophobicContact CB-CH2 3.97Å; P204-W378 HydrophobicContact CB-CZ2 4.32Å; P204-W378 HydrophobicContact CG-CH2 3.85Å; P204-W378 HydrophobicContact CG-CZ2 3.73Å; R205-W378 VanDerWaalsContact CD-O 3.25Å; R205-W378 WeakPolarHBondContact CD-O 3.14Å; R205-W378 HydrophobicContact CG-CE3 4.44Å; R205-W378 HydrophobicContact CG-CH2 3.74Å; R205-W378 HydrophobicContact CG-CZ2 4.1Å; R205-W378 HydrophobicContact CG-CZ3 3.94Å; R205-W378 PolarHBondContact NH1-O 2.91Å; V373-W378 HydrophobicContact CG2-CB 3.87Å; V373-W378 HydrophobicContact CG2-CG 4.4Å; D374-W378 PolarHBondContact O-N 3.41Å; A375-W378 PolarHBondContact O-N 2.97Å; A375-W378 VanDerWaalsContact O-N 3.16Å; W378-N380 PolarHBondContact O-N 3.48Å; W378-G381 PolarHBondContact O-N 2.82Å; W378-K382 WeakPolarHBondContact CA-O 3.44Å
379F97Very high94.8Very high34 Ų3451.9 Ų51.915%0.14929%0.288CS..Hα-helixtrans-61.9-31.3175.1-75.4-64.7000112V146 L158 N160 V167 V168 A375 G381V146-F379 HydrophobicContact CG1-CE2 4.48Å; V146-F379 HydrophobicContact CG1-CZ 4.09Å; V146-F379 HydrophobicContact CG2-CE2 3.89Å; V146-F379 HydrophobicContact CG2-CZ 4.31Å; L158-F379 HydrophobicContact CB-CE1 4.07Å; L158-F379 HydrophobicContact CB-CZ 4.18Å; L158-F379 HydrophobicContact CD1-CE1 4.47Å; N160-F379 HydrophobicContact CB-CE2 4.22Å; V167-F379 HydrophobicContact CB-CD1 4.05Å; V167-F379 HydrophobicContact CB-CD2 4.28Å; V167-F379 HydrophobicContact CB-CE1 3.61Å; V167-F379 HydrophobicContact CB-CE2 3.91Å; V167-F379 HydrophobicContact CB-CG 4.38Å; V167-F379 HydrophobicContact CB-CZ 3.57Å; V167-F379 HydrophobicContact CG1-CB 4.25Å; V167-F379 HydrophobicContact CG1-CD1 3.41Å; V167-F379 VanDerWaalsContact CG1-CD1 3.41Å; V167-F379 HydrophobicContact CG1-CD2 3.85Å; V167-F379 HydrophobicContact CG1-CE1 3.54Å; V167-F379 HydrophobicContact CG1-CE2 4.01Å; V167-F379 HydrophobicContact CG1-CG 3.59Å; V167-F379 HydrophobicContact CG1-CZ 3.87Å; V167-F379 HydrophobicContact CG2-CD2 4.16Å; V167-F379 HydrophobicContact CG2-CE1 4.34Å; V167-F379 HydrophobicContact CG2-CE2 3.71Å; V167-F379 HydrophobicContact CG2-CZ 3.82Å; V168-F379 HydrophobicContact CG2-CD1 4.13Å; V168-F379 HydrophobicContact CG2-CE1 3.93Å; A375-F379 HydrophobicContact CB-CD2 4.31Å; A375-F379 HydrophobicContact CB-CE2 4.24Å; A375-F379 WeakPolarHBondContact O-CD2 3.46Å; A375-F379 PolarHBondContact O-N 2.88Å; F379-G381 PolarHBondContact O-N 2.82Å
380N96.1Very high95Very high144 Ų14453.7 Ų53.777%0.7730%0.302SS*.THydrogen-bonded Turntrans-78.96.4173.2-74.8-43.3000114.4D376 E377 W378D376-N380 WeakPolarHBondContact O-CB 3.22Å; D376-N380 VanDerWaalsContact O-CG 3.24Å; D376-N380 PolarHBondContact O-N 2.84Å; D376-N380 PolarHBondContact O-ND2 3.28Å; E377-N380 CarbonylContact O-C 3.57Å; E377-N380 PolarHBondContact O-N 3.36Å; W378-N380 PolarHBondContact O-N 3.48Å
381G95.1Very high95Very high42 Ų4250.3 Ų50.343%0.43329%0.286SS..THydrogen-bonded Turntrans104.8-5.2171.900000115.2R205 E377 W378 F379 E383R205-G381 VanDerWaalsContact NH1-C 3.34Å; R205-G381 VanDerWaalsContact NH1-CA 3.3Å; R205-G381 PolarHBondContact NH1-O 2.97Å; E377-G381 PolarHBondContact O-N 2.77Å; W378-G381 PolarHBondContact O-N 2.82Å; F379-G381 PolarHBondContact O-N 2.82Å; G381-E383 PolarHBondContact O-N 3.37Å
382K95.4Very high94.8Very high95 Ų9555.2 Ų55.241%0.41331%0.306SS..  trans-69.5127.3179.1-166-176.4179-171.50110V373 E377 W378V373-K382 HydrophobicContact CG1-CB 4.48Å; V373-K382 HydrophobicContact CG1-CD 3.69Å; V373-K382 HydrophobicContact CG1-CG 3.91Å; E377-K382 HydrophobicContact CB-CB 4.07Å; E377-K382 HydrophobicContact CB-CD 3.71Å; E377-K382 HydrophobicContact CG-CD 4.3Å; E377-K382 WeakPolarHBondContact O-CB 3.32Å; E377-K382 PolarHBondContact O-N 3.02Å; E377-K382 IonicContact OE1-NZ 3.42Å; E377-K382 PolarHBondContact OE1-NZ 3.18Å; E377-K382 IonicContact OE2-NZ 2.69Å; E377-K382 PolarHBondContact OE2-NZ 3.49Å; W378-K382 WeakPolarHBondContact CA-O 3.44Å
383E92.6Very high94.1Very high94 Ų9460.7 Ų60.744%0.43933%0.333SS..  trans-117.2140.9173.2-66.9-179.2175.600108.8R205 G381R205-E383 IonicContact CZ-OE1 3.19Å; R205-E383 IonicContact NH1-OE1 3.76Å; R205-E383 IonicContact NH2-OE1 2.8Å; R205-E383 PolarHBondContact NH2-OE1 2.79Å; G381-E383 PolarHBondContact O-N 3.37Å
384A92.9Very high93.1Very high22 Ų2262 Ų6218%0.18235%0.348CS..  trans-147.3141.1174.200000110.2V373V373-A384 HydrophobicContact CG1-CB 3.75Å
385P93.2Very high92.2Very high101 Ų10163.2 Ų63.266%0.65635%0.35SS*.PPolyproline II helixtrans-64.9154.1175.629-34.6000110.6S372S372-P385 VanDerWaalsContact CB-O 3.3Å; S372-P385 WeakPolarHBondContact CB-O 3.49Å; S372-P385 PolarHBondContact OG-O 3.32Å
386P94.1Very high90.8Very high17 Ų1767.4 Ų67.411%0.1137%0.374CS..PPolyproline II helixtrans-56.9140.9177.722-32000111.7T142 R185 I367 S372 L388T142-P386 HydrophobicContact CG2-CB 3.92Å; T142-P386 HydrophobicContact CG2-CG 4.38Å; R185-P386 HydrophobicContact CG-CG 4.5Å; I367-P386 HydrophobicContact CB-CB 4.41Å; I367-P386 HydrophobicContact CD1-CB 4.18Å; I367-P386 HydrophobicContact CD1-CG 4.12Å; I367-P386 HydrophobicContact CG1-CB 3.89Å; I367-P386 HydrophobicContact CG1-CG 4.02Å; I367-P386 HydrophobicContact CG2-CB 3.89Å; S372-P386 WeakPolarHBondContact OG-CA 3.49Å; P386-L388 HydrophobicContact CG-CD2 4.3Å; P386-L388 PolarHBondContact O-N 3.4Å
387V95.1Very high89.3Confident61 Ų6166.5 Ų66.537%0.3738%0.376SS..PPolyproline II helixtrans-69.9118.6172.4-176.50000108.4G368 E370 S372G368-V387 PolarHBondContact N-O 3.2Å; E370-V387 HydrophobicContact CB-CB 4.26Å; E370-V387 HydrophobicContact CB-CG1 4.32Å; E370-V387 HydrophobicContact CB-CG2 4.4Å; S372-V387 PolarHBondContact OG-N 3.03Å
388L95.4Very high87.4Confident81 Ų8164.1 Ų64.142%0.42437%0.367SS..EExtended strand (participates in β ladder)trans-90.8147.5-178.3-53.7-178000111.5D365 T366 I367 P386D365-L388 HydrophobicContact CB-CB 3.98Å; D365-L388 HydrophobicContact CB-CD1 4.36Å; T366-L388 CarbonylContact O-C 3.54Å; T366-L388 WeakPolarHBondContact O-CA 3.35Å; I367-L388 HydrophobicContact CG1-CD2 4.25Å; P386-L388 HydrophobicContact CG-CD2 4.3Å; P386-L388 PolarHBondContact O-N 3.4Å
389I94.7Very high84.9Confident55 Ų5570.1 Ų70.128%0.28240%0.404SS..EExtended strand (participates in β ladder)trans-131.2151.1175.362.9170.4000110.4R324 D365 T366R324-I389 HydrophobicContact CG-CD1 3.99Å; D365-I389 WeakPolarHBondContact CA-O 3.22Å; T366-I389 HydrophobicContact CG2-CG1 4.23Å; T366-I389 PolarHBondContact N-O 3.29Å; T366-I389 PolarHBondContact O-N 3.05Å
390S95.6Very high82.6Confident53 Ų5376.6 Ų76.637%0.37143%0.432SS..  trans-83.8139.9170.4-168.70000110.5D365 K392D365-S390 WeakPolarHBondContact OD1-CA 3.08Å; D365-S390 WeakPolarHBondContact OD1-CB 3.23Å; S390-K392 VanDerWaalsContact C-N 3.31Å; S390-K392 PolarHBondContact OG-N 2.84Å
391L94.4Very high80.5Confident6 Ų673 Ų733%0.03142%0.415CS..SBendtrans-88.13.4174.7-60.8177.5000113.5K323 V328 F358 Y363 T366 D393 G394K323-L391 HydrophobicContact CB-CD1 4.14Å; V328-L391 HydrophobicContact CG1-CB 3.94Å; V328-L391 HydrophobicContact CG1-CD1 4.2Å; F358-L391 HydrophobicContact CE2-CB 4.46Å; F358-L391 HydrophobicContact CZ-CB 4.49Å; Y363-L391 HydrophobicContact CD1-CD1 4.11Å; T366-L391 HydrophobicContact CG2-CD1 4.03Å; T366-L391 HydrophobicContact CG2-CD2 3.73Å; T366-L391 HydrophobicContact CG2-CG 3.8Å; L391-D393 VanDerWaalsContact C-N 3.29Å; L391-D393 PolarHBondContact O-N 3.38Å; L391-G394 PolarHBondContact O-N 2.83Å
392K90.3Very high78.6Confident117 Ų11775 Ų7551%0.50941%0.412SS..THydrogen-bonded Turntrans-60-37.1-174.9-174.1172.9-177.3167.60113.5F358 S390 G394F358-K392 HydrophobicContact CB-CG 4.39Å; F358-K392 HydrophobicContact CD1-CB 4.1Å; F358-K392 HydrophobicContact CD1-CD 4.26Å; F358-K392 HydrophobicContact CD1-CG 3.98Å; F358-K392 HydrophobicContact CD2-CB 4.39Å; F358-K392 HydrophobicContact CD2-CG 4.44Å; F358-K392 HydrophobicContact CE1-CB 3.97Å; F358-K392 HydrophobicContact CE1-CG 4.37Å; F358-K392 HydrophobicContact CE2-CB 4.27Å; F358-K392 HydrophobicContact CG-CB 4.3Å; F358-K392 HydrophobicContact CG-CG 4.02Å; F358-K392 HydrophobicContact CZ-CB 4.05Å; S390-K392 VanDerWaalsContact C-N 3.31Å; S390-K392 PolarHBondContact OG-N 2.84Å; K392-G394 PolarHBondContact O-N 2.6Å
393D80.4Confident76.9Confident141 Ų14176.6 Ų76.675%0.75442%0.421SS*.THydrogen-bonded Turntrans-85.56.3180-59.7-39.2000112.8L391L391-D393 VanDerWaalsContact C-N 3.29Å; L391-D393 PolarHBondContact O-N 3.38Å
394G76.1Confident75.8Confident31 Ų3173.4 Ų73.432%0.3241%0.406SS..  trans74.3-160.2-177.200000113.3L391 K392 V396L391-G394 PolarHBondContact O-N 2.83Å; K392-G394 PolarHBondContact O-N 2.6Å; G394-V396 PolarHBondContact O-N 2.75Å
395F74.8Confident74.9Confident84 Ų8478.6 Ų78.637%0.36842%0.424SS..  trans-73.4110.4177.5177.6-112.8000110.6P44 K45 R324 A397P44-F395 HydrophobicContact CB-CD2 3.61Å; P44-F395 HydrophobicContact CB-CE1 4.27Å; P44-F395 HydrophobicContact CB-CE2 3.2Å; P44-F395 HydrophobicContact CB-CG 4.3Å; P44-F395 HydrophobicContact CB-CZ 3.56Å; P44-F395 HydrophobicContact CG-CD2 4.1Å; P44-F395 HydrophobicContact CG-CE2 3.71Å; P44-F395 HydrophobicContact CG-CZ 4.44Å; K45-F395 HydrophobicContact CG-CZ 4.42Å; R324-F395 HydrophobicContact CB-CD2 4.2Å; R324-F395 WeakPolarHBondContact O-CD2 3.2Å; F395-A397 HydrophobicContact CE1-CB 3.77Å; F395-A397 HydrophobicContact CZ-CB 4.03Å
396V66.9Low74.1Confident94 Ų9474.8 Ų74.857%0.5740%0.399SS*.  trans-96109.7165.1-176.10000107.2G394 T398G394-V396 PolarHBondContact O-N 2.75Å; V396-T398 PolarHBondContact O-N 3.36Å
397A61.9Low73.3Confident48 Ų4878.5 Ų78.540%0.39742%0.415SS..  trans-54.6141.3171.900000109.4F395 T399F395-A397 HydrophobicContact CE1-CB 3.77Å; F395-A397 HydrophobicContact CZ-CB 4.03Å; A397-T399 VanDerWaalsContact C-N 3.28Å; A397-T399 PolarHBondContact O-N 2.77Å; A397-T399 PolarHBondContact O-OG1 3.13Å
398T56.8Low72.1Confident25 Ų2583.4 Ų83.415%0.15343%0.431CS..  trans-58.989.4-179.8-37.50000109.7P369 V396 K400 T401P369-T398 HydrophobicContact CB-CG2 4.48Å; P369-T398 HydrophobicContact CG-CG2 4.34Å; V396-T398 PolarHBondContact O-N 3.36Å; T398-K400 PolarHBondContact O-N 3.17Å; T398-T401 PolarHBondContact O-OG1 2.94Å
399T43.8Very low70.6Confident128 Ų12884 Ų8479%0.78544%0.442SS*.THydrogen-bonded Turntrans-76.6-15.3-175.726.60000111.8A397A397-T399 VanDerWaalsContact C-N 3.28Å; A397-T399 PolarHBondContact O-N 2.77Å; A397-T399 PolarHBondContact O-OG1 3.13Å
400K47.9Very low69.3Low170 Ų17084.6 Ų84.674%0.73945%0.445SS*.THydrogen-bonded Turntrans-118.669.5167.9-66.1-177.3-178.9178.10108.4T398 K402T398-K400 PolarHBondContact O-N 3.17Å; K400-K402 PolarHBondContact O-N 3.41Å
401T52Low67.6Low67 Ų6784.1 Ų84.141%0.41144%0.439SS..  trans-55.2107.8168.9-330000106.6N93 T398 E403N93-T401 WeakPolarHBondContact ND2-CG2 3.18Å; T398-T401 PolarHBondContact O-OG1 2.94Å; T401-E403 VanDerWaalsContact C-N 3.32Å; T401-E403 PolarHBondContact O-N 2.62Å
402K55.9Low65.3Low84 Ų8492.1 Ų92.137%0.36547%0.473SS..  trans-56.8107.2168.4-148.9179.3-175.8-169.70103.8P371 D374 K400 F404P371-K402 HydrophobicContact CG-CD 4.08Å; D374-K402 IonicContact OD1-NZ 3.3Å; D374-K402 PolarHBondContact OD1-NZ 3.07Å; D374-K402 IonicContact OD2-NZ 2.74Å; D374-K402 PolarHBondContact OD2-NZ 2.98Å; K400-K402 PolarHBondContact O-N 3.41Å; K402-F404 PolarHBondContact O-N 3.2Å; K402-F404 VanDerWaalsContact O-N 3.15Å
403E59.8Low63Low130 Ų13092 Ų9261%0.60748%0.482SS*.  trans-51.2128.1-168.4-78.3177.7129.200108.4T401 K405T401-E403 VanDerWaalsContact C-N 3.32Å; T401-E403 PolarHBondContact O-N 2.62Å; E403-K405 HydrophobicContact CB-CD 4.4Å; E403-K405 HydrophobicContact CB-CG 3.86Å; E403-K405 PolarHBondContact O-N 3.09Å; E403-K405 WeakPolarHBondContact OE2-CE 3.47Å; E403-K405 IonicContact OE2-NZ 3.34Å; E403-K405 PolarHBondContact OE2-NZ 2.99Å
404F69.4Low61Low26 Ų2689.7 Ų89.711%0.11447%0.473CS..  trans-71.379172.9-176.3-103.8000108I96 I108 V124 V125 N145 V161 K402 V406I96-F404 HydrophobicContact CD1-CB 4.08Å; I96-F404 HydrophobicContact CD1-CD1 3.76Å; I96-F404 HydrophobicContact CD1-CD2 4.26Å; I96-F404 HydrophobicContact CD1-CE1 4.21Å; I96-F404 HydrophobicContact CD1-CG 3.77Å; I96-F404 HydrophobicContact CG1-CB 4.29Å; I96-F404 HydrophobicContact CG1-CD2 4.17Å; I96-F404 HydrophobicContact CG1-CG 4.09Å; I96-F404 HydrophobicContact CG2-CE2 4.47Å; I108-F404 HydrophobicContact CG2-CE1 4.3Å; I108-F404 HydrophobicContact CG2-CZ 3.78Å; V124-F404 HydrophobicContact CB-CE1 4.16Å; V124-F404 HydrophobicContact CG1-CD1 4.24Å; V124-F404 HydrophobicContact CG1-CE1 3.8Å; V125-F404 HydrophobicContact CG2-CE1 4.4Å; V125-F404 HydrophobicContact CG2-CZ 4.3Å; N145-F404 WeakPolarHBondContact OD1-CD2 3.42Å; N145-F404 WeakPolarHBondContact OD1-CE2 3.35Å; V161-F404 HydrophobicContact CG1-CE2 3.82Å; V161-F404 HydrophobicContact CG1-CZ 3.58Å; K402-F404 PolarHBondContact O-N 3.2Å; K402-F404 VanDerWaalsContact O-N 3.15Å; F404-V406 HydrophobicContact CD1-CG2 3.64Å; F404-V406 HydrophobicContact CE1-CG2 3.16Å; F404-V406 HydrophobicContact CZ-CG2 3.74Å; F404-V406 PolarHBondContact O-N 3.44Å
405K73.7Confident58.9Low131 Ų13193.7 Ų93.757%0.5749%0.492SS*.  trans-84.9103.3-179.3-73.7-174.2176.7160.50109.2E403E403-K405 HydrophobicContact CB-CD 4.4Å; E403-K405 HydrophobicContact CB-CG 3.86Å; E403-K405 PolarHBondContact O-N 3.09Å; E403-K405 WeakPolarHBondContact OE2-CE 3.47Å; E403-K405 IonicContact OE2-NZ 3.34Å; E403-K405 PolarHBondContact OE2-NZ 2.99Å
406V76.5Confident56.7Low22 Ų2294.4 Ų94.413%0.13351%0.514CS..  trans-85.5128.7169.8-178.70000109.4V124 V125 A162 F404 K408 L411V124-V406 HydrophobicContact CG1-CB 4.45Å; V124-V406 HydrophobicContact CG1-CG2 3.74Å; V125-V406 HydrophobicContact CG2-CB 4.37Å; V125-V406 HydrophobicContact CG2-CG1 3.73Å; V125-V406 HydrophobicContact CG2-CG2 3.67Å; A162-V406 WeakPolarHBondContact O-CA 3.36Å; F404-V406 HydrophobicContact CD1-CG2 3.64Å; F404-V406 HydrophobicContact CE1-CG2 3.16Å; F404-V406 HydrophobicContact CZ-CG2 3.74Å; F404-V406 PolarHBondContact O-N 3.44Å; V406-K408 VanDerWaalsContact C-N 3.28Å; V406-K408 PolarHBondContact O-N 2.78Å; V406-L411 HydrophobicContact CG1-CD1 3.25Å; V406-L411 HydrophobicContact CG1-CD2 4.2Å; V406-L411 HydrophobicContact CG1-CG 3.83Å
407H77.8Confident55Low94 Ų9495.6 Ų95.644%0.43553%0.526SS..  trans-76.681.2175.6-67.5-77.5000109.9A162 S409 L410 L411A162-H407 PolarHBondContact O-N 3Å; H407-S409 PolarHBondContact O-N 2.7Å; H407-L410 HydrophobicContact CB-CB 4.25Å; H407-L410 HydrophobicContact CB-CD1 3.74Å; H407-L410 HydrophobicContact CB-CG 3.99Å; H407-L410 PolarHBondContact O-N 3.45Å; H407-L411 PolarHBondContact O-N 3.02Å
408K69.8Low53.6Low165 Ų16598.6 Ų98.672%0.71755%0.55SS**THydrogen-bonded Turntrans-53.6-25-177.6-66-172.7179-176.70114.3V406V406-K408 VanDerWaalsContact C-N 3.28Å; V406-K408 PolarHBondContact O-N 2.78Å
409S64.5Low52.5Low94 Ų94100.7 Ų100.766%0.65758%0.578SS**THydrogen-bonded Turntrans-69.4-31.7174.254.70000113.4H407H407-S409 PolarHBondContact O-N 2.7Å
410L66.2Low51.9Low66 Ų66100.2 Ų100.235%0.34658%0.579SS.*THydrogen-bonded Turntrans-83.9-30.4-178-60.4177.9000112R163 H407 K412 T413R163-L410 HydrophobicContact CB-CD1 4.25Å; R163-L410 HydrophobicContact CG-CD1 3.95Å; H407-L410 HydrophobicContact CB-CB 4.25Å; H407-L410 HydrophobicContact CB-CD1 3.74Å; H407-L410 HydrophobicContact CB-CG 3.99Å; H407-L410 PolarHBondContact O-N 3.45Å; L410-K412 PolarHBondContact O-N 2.87Å; L410-T413 PolarHBondContact O-N 3.25Å; L410-T413 PolarHBondContact O-OG1 2.91Å
411L60.8Low51.2Low44 Ų44101.4 Ų101.423%0.2359%0.588CS.*G310 helixtrans-62.9-23.5178.6-69-177.8000114.9V125 V406 H407 T413V125-L411 HydrophobicContact CG1-CD2 3.93Å; V406-L411 HydrophobicContact CG1-CD1 3.25Å; V406-L411 HydrophobicContact CG1-CD2 4.2Å; V406-L411 HydrophobicContact CG1-CG 3.83Å; H407-L411 PolarHBondContact O-N 3.02Å; L411-T413 PolarHBondContact O-N 2.96Å
412K46.6Very low50.5Low173 Ų173103.5 Ų103.575%0.75260%0.602SS**G310 helixtrans-74.5-10.2-176.1-71.9-175.2176.9-175.90113.8L410L410-K412 PolarHBondContact O-N 2.87Å
413T40.5Very low50.1Low115 Ų115106.2 Ų106.271%0.70662%0.621SS**G310 helixtrans-84.9-9.5-168.1-25.60000114L410 L411L410-T413 PolarHBondContact O-N 3.25Å; L410-T413 PolarHBondContact O-OG1 2.91Å; L411-T413 PolarHBondContact O-N 2.96Å
414T39Very low49.7Very low92 Ų92104.9 Ų104.956%0.56462%0.618SS**G310 helixtrans-102.2-1.9-173.537.20000115.8
415T32.2Very low49.1Very low115 Ų115106.5 Ų106.571%0.70663%0.633SS**  trans-94.77.4-177.335.60000116S417T415-S417 PolarHBondContact O-N 2.84Å
416A28.5Very low48.6Very low100 Ų100102.4 Ų102.483%0.82663%0.627SS**  trans-96.990.2-178.400000112.7
417S30.6Very low48.1Very low119 Ų119108 Ų10883%0.83265%0.652SS**  trans-138.7125.714772.20000113.4T415T415-S417 PolarHBondContact O-N 2.84Å
418A34.3Very low47.5Very low110 Ų110106.2 Ų106.291%0.90965%0.647SS**SBendtrans69.386.6162.100000119.5
419G31.7Very low47.4Very low70 Ų70104.7 Ų104.772%0.72264%0.643SS**SBendtrans143.3110.7149.100000115.1
420S31.3Very low48.1Very low118 Ų118103.1 Ų103.183%0.82563%0.632SS**  trans73.2109.717871.40000116.2P422S420-P422 WeakPolarHBondContact O-CD 3.34Å
421Q33.8Very low48.6Very low195 Ų195104.7 Ų104.791%0.91164%0.64SS**  trans-69.4127.6163.8-72.5-164.2-24.400109.4
422P38.3Very low49.5Very low111 Ų111111.3 Ų111.372%0.72166%0.662SS**  trans-91.2145.1144.711.49.4000108.6S420 D424S420-P422 WeakPolarHBondContact O-CD 3.34Å; P422-D424 PolarHBondContact O-N 2.86Å
423D45.9Very low51.3Low141 Ų141109.8 Ų109.875%0.75466%0.655SS**  trans-67.984.4-173.1-154.4-12.8000111.9S425D423-S425 PolarHBondContact O-N 2.72Å; D423-S425 WeakPolarHBondContact OD1-CB 3.26Å; D423-S425 PolarHBondContact OD1-OG 2.92Å
424D53.1Low53.5Low101 Ų101110 Ų11054%0.5465%0.648SS.*THydrogen-bonded Turntrans-79.916.2178.4-166.824.4000113P422 V428P422-D424 PolarHBondContact O-N 2.86Å; D424-V428 WeakPolarHBondContact O-CG2 3.15Å
425S56.7Low55.6Low61 Ų61109.3 Ų109.343%0.42764%0.644SS.*Hα-helixtrans-75.7-28.3-177.664.10000112.9D423 Q429D423-S425 PolarHBondContact O-N 2.72Å; D423-S425 WeakPolarHBondContact OD1-CB 3.26Å; D423-S425 PolarHBondContact OD1-OG 2.92Å; S425-Q429 WeakPolarHBondContact O-CB 3.17Å; S425-Q429 WeakPolarHBondContact O-CG 3.2Å; S425-Q429 PolarHBondContact O-N 2.8Å
426G62.6Low58.4Low44 Ų44111.1 Ų111.145%0.45464%0.642SS.*Hα-helixtrans-78.4-40.9-176.200000114.4Q429 S430G426-Q429 PolarHBondContact O-N 2.83Å; G426-S430 PolarHBondContact O-N 3.36Å
427E65.2Low61.2Low139 Ų139110.7 Ų110.765%0.6563%0.626SS**Hα-helixtrans-75.1-38.1-177.5-123.7174.9172.100111.6Q429 S430 L431E427-Q429 VanDerWaalsContact C-N 3.29Å; E427-Q429 PolarHBondContact O-N 3.17Å; E427-S430 PolarHBondContact O-N 3.06Å; E427-S430 PolarHBondContact O-OG 2.86Å; E427-L431 WeakPolarHBondContact O-CB 3.14Å; E427-L431 WeakPolarHBondContact O-CG 3.4Å; E427-L431 PolarHBondContact O-N 2.82Å
428V65.8Low63.8Low57 Ų57110.7 Ų110.735%0.34562%0.616SS.*Hα-helixtrans-66.2-33.7173177.70000111.5D424 R432D424-V428 WeakPolarHBondContact O-CG2 3.15Å; V428-R432 WeakPolarHBondContact O-CB 3.36Å; V428-R432 WeakPolarHBondContact O-CG 3.21Å; V428-R432 PolarHBondContact O-N 2.77Å
429Q67.1Low66.5Low133 Ų133112.2 Ų112.262%0.62160%0.602SS**Hα-helixtrans-73-38.3175.6-78.3178.917.600112.8S425 G426 E427 R432 K433S425-Q429 WeakPolarHBondContact O-CB 3.17Å; S425-Q429 WeakPolarHBondContact O-CG 3.2Å; S425-Q429 PolarHBondContact O-N 2.8Å; G426-Q429 PolarHBondContact O-N 2.83Å; E427-Q429 VanDerWaalsContact C-N 3.29Å; E427-Q429 PolarHBondContact O-N 3.17Å; Q429-R432 PolarHBondContact O-N 2.84Å; Q429-K433 WeakPolarHBondContact O-CB 3.26Å; Q429-K433 PolarHBondContact O-N 2.87Å
430S79.3Confident69.2Low61 Ų61111.5 Ų111.543%0.42759%0.589SS.*Hα-helixtrans-65.5-44.6176.366.70000111.1G426 E427 R432 K433 E434G426-S430 PolarHBondContact O-N 3.36Å; E427-S430 PolarHBondContact O-N 3.06Å; E427-S430 PolarHBondContact O-OG 2.86Å; S430-R432 PolarHBondContact O-N 2.86Å; S430-K433 WeakPolarHBondContact O-CB 3.45Å; S430-K433 PolarHBondContact O-N 2.84Å; S430-E434 PolarHBondContact O-N 3.36Å
431L76.4Confident71.9Confident99 Ų99108.5 Ų108.552%0.51857%0.571SS.*Hα-helixtrans-64.7-39.1176.5-70.7168.3000112.4E427 K433 E434 V435E427-L431 WeakPolarHBondContact O-CB 3.14Å; E427-L431 WeakPolarHBondContact O-CG 3.4Å; E427-L431 PolarHBondContact O-N 2.82Å; L431-K433 VanDerWaalsContact C-N 3.3Å; L431-K433 PolarHBondContact O-N 3.46Å; L431-E434 PolarHBondContact O-N 3.4Å; L431-V435 WeakPolarHBondContact O-CB 3.46Å; L431-V435 VanDerWaalsContact O-CG2 3.28Å; L431-V435 WeakPolarHBondContact O-CG2 3.29Å; L431-V435 PolarHBondContact O-N 2.9Å
432R79.9Confident74.5Confident184 Ų184104.6 Ų104.669%0.69456%0.556SS**Hα-helixtrans-63.6-36.8174.5-79.8176.4-177.8-167.52.9112.4V428 Q429 S430 K436V428-R432 WeakPolarHBondContact O-CB 3.36Å; V428-R432 WeakPolarHBondContact O-CG 3.21Å; V428-R432 PolarHBondContact O-N 2.77Å; Q429-R432 PolarHBondContact O-N 2.84Å; S430-R432 PolarHBondContact O-N 2.86Å; R432-K436 WeakPolarHBondContact O-CB 3.4Å; R432-K436 PolarHBondContact O-N 2.89Å; R432-K436 VanDerWaalsContact O-N 3.13Å
433K84.2Confident77Confident140 Ų140106.4 Ų106.461%0.60956%0.555SS**Hα-helixtrans-67.6-45.7175.9-170.9-178.8176.4-173.20110.6Q429 S430 L431 V435 K436 D437Q429-K433 WeakPolarHBondContact O-CB 3.26Å; Q429-K433 PolarHBondContact O-N 2.87Å; S430-K433 WeakPolarHBondContact O-CB 3.45Å; S430-K433 PolarHBondContact O-N 2.84Å; L431-K433 VanDerWaalsContact C-N 3.3Å; L431-K433 PolarHBondContact O-N 3.46Å; K433-V435 PolarHBondContact O-N 3.02Å; K433-K436 WeakPolarHBondContact O-CB 3.45Å; K433-K436 PolarHBondContact O-N 3.49Å; K433-K436 VanDerWaalsContact O-N 3.09Å; K433-D437 VanDerWaalsContact O-CG 3.28Å; K433-D437 PolarHBondContact O-N 2.74Å
434E86.9Confident79.1Confident119 Ų119106.6 Ų106.656%0.55655%0.551SS**Hα-helixtrans-63.8-40.9179.5-160.9167.9-155.700112.4S430 L431 K436 D437 L438S430-E434 PolarHBondContact O-N 3.36Å; L431-E434 PolarHBondContact O-N 3.4Å; E434-K436 VanDerWaalsContact C-N 3.3Å; E434-K436 PolarHBondContact O-N 3.18Å; E434-D437 PolarHBondContact O-N 2.71Å; E434-L438 HydrophobicContact CG-CD1 4.48Å; E434-L438 WeakPolarHBondContact O-CB 3.46Å; E434-L438 WeakPolarHBondContact O-CG 3.47Å; E434-L438 PolarHBondContact O-N 2.7Å
435V84.9Confident80.7Confident78 Ų78107 Ų10747%0.47355%0.553SS.*Hα-helixtrans-63.2-36.3172.6169.90000111.9L431 K433 K439L431-V435 WeakPolarHBondContact O-CB 3.46Å; L431-V435 VanDerWaalsContact O-CG2 3.28Å; L431-V435 WeakPolarHBondContact O-CG2 3.29Å; L431-V435 PolarHBondContact O-N 2.9Å; K433-V435 PolarHBondContact O-N 3.02Å; V435-K439 HydrophobicContact CG1-CD 4.43Å; V435-K439 WeakPolarHBondContact O-CB 3.21Å; V435-K439 WeakPolarHBondContact O-CG 3.4Å; V435-K439 PolarHBondContact O-N 2.86Å; V435-K439 VanDerWaalsContact O-N 3.1Å
436K89.4Confident82.3Confident154 Ų154107.1 Ų107.167%0.6755%0.551SS**Hα-helixtrans-69-42.8177.5-171.4-178.3178.2-175.90111.2R432 K433 E434 K439 A440R432-K436 WeakPolarHBondContact O-CB 3.4Å; R432-K436 PolarHBondContact O-N 2.89Å; R432-K436 VanDerWaalsContact O-N 3.13Å; K433-K436 WeakPolarHBondContact O-CB 3.45Å; K433-K436 PolarHBondContact O-N 3.49Å; K433-K436 VanDerWaalsContact O-N 3.09Å; E434-K436 VanDerWaalsContact C-N 3.3Å; E434-K436 PolarHBondContact O-N 3.18Å; K436-K439 PolarHBondContact O-N 3.21Å; K436-A440 PolarHBondContact O-N 2.89Å; K436-A440 VanDerWaalsContact O-N 3.1Å
437D87.8Confident83.6Confident91 Ų91111.5 Ų111.549%0.48756%0.558SS.*Hα-helixtrans-67.7-40.3-180-65.3-17.2000111K433 E434 K439 A440 A441K433-D437 VanDerWaalsContact O-CG 3.28Å; K433-D437 PolarHBondContact O-N 2.74Å; E434-D437 PolarHBondContact O-N 2.71Å; D437-K439 PolarHBondContact O-N 3.39Å; D437-A440 PolarHBondContact O-N 3.46Å; D437-A441 PolarHBondContact O-N 3.46Å
438L86.3Confident84.7Confident119 Ų119112.9 Ų112.962%0.62356%0.557SS**Hα-helixtrans-64.3-38.7174.1-76.6168.1000112.9E434 A441 L442E434-L438 HydrophobicContact CG-CD1 4.48Å; E434-L438 WeakPolarHBondContact O-CB 3.46Å; E434-L438 WeakPolarHBondContact O-CG 3.47Å; E434-L438 PolarHBondContact O-N 2.7Å; L438-A441 PolarHBondContact O-N 3.07Å; L438-L442 WeakPolarHBondContact O-CB 3.17Å; L438-L442 PolarHBondContact O-N 2.92Å
439K89.5Confident85.8Confident142 Ų142113.4 Ų113.462%0.61756%0.56SS**Hα-helixtrans-64.5-41.3175.2-80.1-179.7179.6-175.90112.1V435 K436 D437 L442 E443V435-K439 HydrophobicContact CG1-CD 4.43Å; V435-K439 WeakPolarHBondContact O-CB 3.21Å; V435-K439 WeakPolarHBondContact O-CG 3.4Å; V435-K439 PolarHBondContact O-N 2.86Å; V435-K439 VanDerWaalsContact O-N 3.1Å; K436-K439 PolarHBondContact O-N 3.21Å; D437-K439 PolarHBondContact O-N 3.39Å; K439-L442 PolarHBondContact O-N 3.25Å; K439-E443 PolarHBondContact O-N 2.99Å
440A88.9Confident86.7Confident54 Ų54113.3 Ų113.345%0.44656%0.558SS.*Hα-helixtrans-63.7-43.7176.400000111.5K436 D437 L442 E443 E444K436-A440 PolarHBondContact O-N 2.89Å; K436-A440 VanDerWaalsContact O-N 3.1Å; D437-A440 PolarHBondContact O-N 3.46Å; A440-L442 VanDerWaalsContact C-N 3.31Å; A440-L442 PolarHBondContact O-N 2.66Å; A440-E443 PolarHBondContact O-N 3.35Å; A440-E444 PolarHBondContact O-N 2.81Å
441A87.9Confident86.9Confident55 Ų55115.2 Ų115.246%0.45556%0.56SS.*Hα-helixtrans-62.5-37.8176.100000112.3D437 L438 E444 L445D437-A441 PolarHBondContact O-N 3.46Å; L438-A441 PolarHBondContact O-N 3.07Å; A441-E444 PolarHBondContact O-N 2.83Å; A441-L445 WeakPolarHBondContact O-CB 3.25Å; A441-L445 PolarHBondContact O-N 3.33Å
442L89.6Confident87.2Confident113 Ų113115.8 Ų115.859%0.59256%0.563SS**Hα-helixtrans-67.7-40.9176.9-16972.5000112.1L438 K439 A440 L445 T446L438-L442 WeakPolarHBondContact O-CB 3.17Å; L438-L442 PolarHBondContact O-N 2.92Å; K439-L442 PolarHBondContact O-N 3.25Å; A440-L442 VanDerWaalsContact C-N 3.31Å; A440-L442 PolarHBondContact O-N 2.66Å; L442-L445 PolarHBondContact O-N 2.94Å; L442-T446 VanDerWaalsContact O-CB 3.31Å; L442-T446 WeakPolarHBondContact O-CB 3.01Å; L442-T446 PolarHBondContact O-N 3.19Å; L442-T446 PolarHBondContact O-OG1 2.94Å
443E89.5Confident87.2Confident150 Ų150113.3 Ų113.370%0.70156%0.559SS**Hα-helixtrans-63-42.3174.5-86-176.6159.500111.8K439 A440 T446 K447K439-E443 PolarHBondContact O-N 2.99Å; A440-E443 PolarHBondContact O-N 3.35Å; E443-T446 PolarHBondContact O-N 2.97Å; E443-K447 WeakPolarHBondContact O-CB 3.47Å; E443-K447 PolarHBondContact O-N 3.16Å
444E89.8Confident86.9Confident144 Ų144111.9 Ų111.967%0.67356%0.563SS**Hα-helixtrans-64.4-43.6177.3-169.2176.4179.800111.6A440 A441 K447 R448A440-E444 PolarHBondContact O-N 2.81Å; A441-E444 PolarHBondContact O-N 2.83Å; E444-K447 PolarHBondContact O-N 2.85Å; E444-R448 WeakPolarHBondContact O-CB 3.43Å; E444-R448 PolarHBondContact O-N 2.74Å
445L88.3Confident85.7Confident109 Ų109114.6 Ų114.657%0.57157%0.573SS**Hα-helixtrans-63.9-42.1175.8-16077.1000111.4A441 L442 K447 R448 V449A441-L445 WeakPolarHBondContact O-CB 3.25Å; A441-L445 PolarHBondContact O-N 3.33Å; L442-L445 PolarHBondContact O-N 2.94Å; L445-K447 VanDerWaalsContact C-N 3.32Å; L445-K447 PolarHBondContact O-N 3.22Å; L445-R448 PolarHBondContact O-N 3.38Å; L445-V449 WeakPolarHBondContact O-CG2 3.4Å; L445-V449 PolarHBondContact O-N 3.12Å
446T89.6Confident84Confident65 Ų65120.6 Ų120.640%0.39960%0.602SS.*Hα-helixtrans-63.7-39.2177.8-56.30000111.4L442 E443 V449 K450L442-T446 VanDerWaalsContact O-CB 3.31Å; L442-T446 WeakPolarHBondContact O-CB 3.01Å; L442-T446 PolarHBondContact O-N 3.19Å; L442-T446 PolarHBondContact O-OG1 2.94Å; E443-T446 PolarHBondContact O-N 2.97Å; T446-V449 PolarHBondContact O-N 2.9Å; T446-K450 WeakPolarHBondContact O-CG 3.44Å; T446-K450 PolarHBondContact O-N 3.23Å; T446-K450 VanDerWaalsContact O-N 3.09Å
447K89.8Confident83.7Confident136 Ų136119 Ų11959%0.59160%0.599SS**Hα-helixtrans-64.8-43.6174.7-171.6-179176.1-172.40111.3E443 E444 L445 V449 K450 E451E443-K447 WeakPolarHBondContact O-CB 3.47Å; E443-K447 PolarHBondContact O-N 3.16Å; E444-K447 PolarHBondContact O-N 2.85Å; L445-K447 VanDerWaalsContact C-N 3.32Å; L445-K447 PolarHBondContact O-N 3.22Å; K447-V449 VanDerWaalsContact C-N 3.34Å; K447-V449 PolarHBondContact O-N 3.14Å; K447-K450 PolarHBondContact O-N 2.87Å; K447-E451 VanDerWaalsContact CE-OE1 3.31Å; K447-E451 WeakPolarHBondContact CE-OE1 3.45Å; K447-E451 WeakPolarHBondContact O-CG 3.02Å; K447-E451 PolarHBondContact O-N 3.21Å
448R87.6Confident83.5Confident168 Ų168120.4 Ų120.463%0.63460%0.604SS**Hα-helixtrans-64.9-36.6178.3-164.8169.7-179.5170.3-1.2112.6E444 L445 E451 L452E444-R448 WeakPolarHBondContact O-CB 3.43Å; E444-R448 PolarHBondContact O-N 2.74Å; L445-R448 PolarHBondContact O-N 3.38Å; R448-E451 PolarHBondContact O-N 2.96Å; R448-L452 WeakPolarHBondContact O-CG 3.26Å; R448-L452 PolarHBondContact O-N 2.78Å; R448-L452 VanDerWaalsContact O-N 3.11Å
449V88.4Confident83.3Confident68 Ų68120.5 Ų120.541%0.41260%0.603SS.*Hα-helixtrans-63.5-47.3172.6170.30000110.7L445 T446 K447 E451 L452 E453L445-V449 WeakPolarHBondContact O-CG2 3.4Å; L445-V449 PolarHBondContact O-N 3.12Å; T446-V449 PolarHBondContact O-N 2.9Å; K447-V449 VanDerWaalsContact C-N 3.34Å; K447-V449 PolarHBondContact O-N 3.14Å; V449-E451 VanDerWaalsContact C-N 3.32Å; V449-E451 PolarHBondContact O-N 2.54Å; V449-L452 PolarHBondContact O-N 3.18Å; V449-L452 VanDerWaalsContact O-N 3.09Å; V449-E453 HydrophobicContact CG1-CG 4.35Å; V449-E453 WeakPolarHBondContact O-CG 3.37Å; V449-E453 PolarHBondContact O-N 3.36Å
450K86Confident83Confident131 Ų131119.2 Ų119.257%0.5760%0.603SS**Hα-helixtrans-62-35.9176.5-73.6-179.3178.2-1790113.5T446 K447 L452 E453 T454T446-K450 WeakPolarHBondContact O-CG 3.44Å; T446-K450 PolarHBondContact O-N 3.23Å; T446-K450 VanDerWaalsContact O-N 3.09Å; K447-K450 PolarHBondContact O-N 2.87Å; K450-L452 VanDerWaalsContact C-N 3.32Å; K450-E453 PolarHBondContact O-N 2.93Å; K450-T454 WeakPolarHBondContact O-CG2 3.47Å; K450-T454 PolarHBondContact O-N 2.89Å; K450-T454 VanDerWaalsContact O-N 3.16Å; K450-T454 PolarHBondContact O-OG1 3.1Å
451E84.9Confident82.6Confident101 Ų101123.3 Ų123.347%0.47261%0.612SS.*Hα-helixtrans-69.7-28175.4-74.4175.8-172.400113K447 R448 V449 T454K447-E451 VanDerWaalsContact CE-OE1 3.31Å; K447-E451 WeakPolarHBondContact CE-OE1 3.45Å; K447-E451 WeakPolarHBondContact O-CG 3.02Å; K447-E451 PolarHBondContact O-N 3.21Å; R448-E451 PolarHBondContact O-N 2.96Å; V449-E451 VanDerWaalsContact C-N 3.32Å; V449-E451 PolarHBondContact O-N 2.54Å; E451-T454 WeakPolarHBondContact CA-OG1 3.37Å; E451-T454 PolarHBondContact O-OG1 2.73Å
452L81.2Confident82.2Confident111 Ų111127.9 Ų127.958%0.58162%0.623SS**Hα-helixtrans-80.2-36.7174-72.7166.9000111.7R448 V449 K450 T454 K455R448-L452 WeakPolarHBondContact O-CG 3.26Å; R448-L452 PolarHBondContact O-N 2.78Å; R448-L452 VanDerWaalsContact O-N 3.11Å; V449-L452 PolarHBondContact O-N 3.18Å; V449-L452 VanDerWaalsContact O-N 3.09Å; K450-L452 VanDerWaalsContact C-N 3.32Å; L452-T454 VanDerWaalsContact C-N 3.29Å; L452-T454 PolarHBondContact O-N 3.39Å; L452-K455 PolarHBondContact O-N 3.14Å
453E81.1Confident81.7Confident131 Ų131128.9 Ų128.961%0.61263%0.625SS**Hα-helixtrans-68.6-24.5176.4-73.1175.1165.900113.3V449 K450V449-E453 HydrophobicContact CG1-CG 4.35Å; V449-E453 WeakPolarHBondContact O-CG 3.37Å; V449-E453 PolarHBondContact O-N 3.36Å; K450-E453 PolarHBondContact O-N 2.93Å
454T76.9Confident81.1Confident111 Ų111127.3 Ų127.368%0.68162%0.619SS**THydrogen-bonded Turntrans-87.9-5.4177.245.10000114K450 E451 L452K450-T454 WeakPolarHBondContact O-CG2 3.47Å; K450-T454 PolarHBondContact O-N 2.89Å; K450-T454 VanDerWaalsContact O-N 3.16Å; K450-T454 PolarHBondContact O-OG1 3.1Å; E451-T454 WeakPolarHBondContact CA-OG1 3.37Å; E451-T454 PolarHBondContact O-OG1 2.73Å; L452-T454 VanDerWaalsContact C-N 3.29Å; L452-T454 PolarHBondContact O-N 3.39Å
455K62.7Low80.4Confident176 Ų176125.9 Ų125.977%0.76562%0.615SS**  trans-102.8-0.6177.6-82.5-179.2176.2174.50114L452L452-K455 PolarHBondContact O-N 3.14Å
456N48.2Very low79.7Confident204 Ų204127.5 Ų127.5100%1.09162%0.619SS**  trans-106.40163.6-76.3-24000109.3

Retrieved 456 of 456 residues in 627.3 ms (Link to these results)

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