A0A3Q0KUL7_SCHMA Loading...

BTB domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KUL7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,256 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
1M27.8Very low67.1Low227 Ų22798.6 Ų98.6100%1.11851%0.509SS*.  0115.80-71.6172.3170.200109.3
2N34.6Very low69.2Low116 Ų11690.4 Ų90.462%0.6247%0.467SS*.  trans175.598.8151.7-110.9-67.2000109.7R4N2-R4 HydrophobicContact CB-CG 3.99Å; N2-R4 PolarHBondContact O-N 3.47Å; N2-R4 PolarHBondContact OD1-NE 3.45Å
3N35.6Very low70.7Confident167 Ų16786.5 Ų86.589%0.89346%0.462SS*.  trans-78.164.7172.9-68.36.7000109.5C5N3-C5 PolarHBondContact O-N 3.3Å
4R53.1Low72Confident140 Ų14083.9 Ų83.953%0.52847%0.466SS..  trans-7498-178.3-75.5171.3-176.6-173.41.8109.1N2N2-R4 HydrophobicContact CB-CG 3.99Å; N2-R4 PolarHBondContact O-N 3.47Å; N2-R4 PolarHBondContact OD1-NE 3.45Å
5C56.9Low73.5Confident93 Ų9386.6 Ų86.663%0.62847%0.466SS*.  trans-32.3139.4-177.1-58.20000114.9N3 I7N3-C5 PolarHBondContact O-N 3.3Å; C5-I7 PolarHBondContact O-N 3.39Å; C5-I7 VanDerWaalsContact O-N 3.11Å
6D78.8Confident74.6Confident127 Ų12788.8 Ų88.868%0.67947%0.47SS*.SBendtrans-58.1-25.6174.3-66.2-52000112.7S20 R21D6-S20 CarbonylContact O-C 3.54Å; D6-S20 WeakPolarHBondContact O-CA 3.3Å; D6-R21 PolarHBondContact O-N 2.92Å
7I86.8Confident75.8Confident108 Ų10885.4 Ų85.455%0.55445%0.45SS*.EExtended strand (participates in β ladder)trans-92.8124173.1-55.5176.3000109.6C5 T19C5-I7 PolarHBondContact O-N 3.39Å; C5-I7 VanDerWaalsContact O-N 3.11Å; I7-T19 CarbonylContact C-O 3.55Å; I7-T19 WeakPolarHBondContact CA-O 3.37Å
8V87.6Confident76.6Confident15 Ų1584.6 Ų84.69%0.09145%0.453CS..EExtended strand (participates in β ladder)trans-99.8129.7170.2-179.80000108.6L10 S18 T19 R21 L24 L36V8-L10 HydrophobicContact CG1-CD2 3.72Å; V8-L10 HydrophobicContact CG1-CG 4.19Å; V8-S18 WeakPolarHBondContact O-CA 3.47Å; V8-T19 PolarHBondContact N-O 2.97Å; V8-T19 PolarHBondContact O-N 3.28Å; V8-R21 HydrophobicContact CG2-CB 4.07Å; V8-R21 HydrophobicContact CG2-CG 4.4Å; V8-L24 HydrophobicContact CB-CD1 3.94Å; V8-L24 HydrophobicContact CG1-CD1 3.86Å; V8-L24 HydrophobicContact CG2-CD1 4.24Å; V8-L36 HydrophobicContact CG1-CD2 3.91Å; V8-L36 HydrophobicContact CG2-CD2 3.76Å
9N91.6Very high77.4Confident80 Ų8080.7 Ų80.743%0.42843%0.433SS..EExtended strand (participates in β ladder)trans-101.1125.4170.8-66.2-23.8000109.8S18 A49 I50N9-S18 WeakPolarHBondContact OD1-CB 3.24Å; N9-S18 PolarHBondContact OD1-OG 3.2Å; N9-A49 HydrophobicContact CB-CB 3.9Å; N9-A49 WeakPolarHBondContact O-CA 3.2Å; N9-I50 PolarHBondContact O-N 2.83Å
10L92Very high77.9Confident0 Ų078.7 Ų78.70%043%0.425CS..EExtended strand (participates in β ladder)trans-115.5150175.9-54.1177.1000109V8 V12 K16 F17 L24 L35 I50 I52 F59V8-L10 HydrophobicContact CG1-CD2 3.72Å; V8-L10 HydrophobicContact CG1-CG 4.19Å; L10-V12 HydrophobicContact CB-CG2 4.21Å; L10-K16 CarbonylContact O-C 3.51Å; L10-K16 WeakPolarHBondContact O-CA 3.45Å; L10-F17 HydrophobicContact CB-CB 4.48Å; L10-F17 PolarHBondContact N-O 3.41Å; L10-F17 PolarHBondContact O-N 2.96Å; L10-L24 HydrophobicContact CD1-CD1 4.11Å; L10-L24 HydrophobicContact CD1-CD2 4.3Å; L10-L35 HydrophobicContact CD2-CD2 4.48Å; L10-I50 CarbonylContact C-O 3.58Å; L10-I50 WeakPolarHBondContact CA-O 3.4Å; L10-I50 HydrophobicContact CD2-CB 3.95Å; L10-I50 HydrophobicContact CD2-CD1 4.46Å; L10-I50 HydrophobicContact CD2-CG2 4.42Å; L10-I52 HydrophobicContact CD1-CD1 4.31Å; L10-I52 HydrophobicContact CD2-CD1 4.24Å; L10-F59 HydrophobicContact CD1-CE1 4.15Å; L10-F59 HydrophobicContact CD1-CZ 3.59Å
11N93Very high78.2Confident12 Ų1277.6 Ų77.66%0.06442%0.415CS..EExtended strand (participates in β ladder)trans-122.8104.6168.6-178.6-22.7000106.9G14 R15 D45 A49 I50 F51 I52N11-G14 WeakPolarHBondContact OD1-CA 3.5Å; N11-G14 PolarHBondContact OD1-N 3.37Å; N11-G14 VanDerWaalsContact OD1-N 3.11Å; N11-G14 PolarHBondContact OD1-O 3.18Å; N11-R15 WeakPolarHBondContact CA-O 3.14Å; N11-R15 PolarHBondContact OD1-N 2.79Å; N11-D45 PolarHBondContact ND2-OD2 2.87Å; N11-A49 HydrophobicContact CB-CB 4.26Å; N11-I50 PolarHBondContact N-O 2.94Å; N11-F51 HydrophobicContact CB-CD2 4.22Å; N11-F51 CarbonylContact O-C 3.51Å; N11-F51 VanDerWaalsContact O-CA 3.28Å; N11-F51 WeakPolarHBondContact O-CA 3.34Å; N11-F51 WeakPolarHBondContact O-CD2 3.44Å; N11-I52 PolarHBondContact O-N 3.4Å
12V92.8Very high80.9Confident0 Ų072 Ų720%039%0.39CS..EExtended strand (participates in β ladder)trans-106.8117.1-175.6-170.20000108.1L10 G14 R15 F17 I52 R54 P56 F59L10-V12 HydrophobicContact CB-CG2 4.21Å; V12-G14 PolarHBondContact O-N 3.41Å; V12-R15 PolarHBondContact N-O 2.9Å; V12-R15 PolarHBondContact O-N 2.55Å; V12-F17 HydrophobicContact CB-CD2 4.09Å; V12-F17 HydrophobicContact CB-CE2 4.01Å; V12-F17 HydrophobicContact CG2-CD2 3.95Å; V12-F17 HydrophobicContact CG2-CE2 4.32Å; V12-I52 VanDerWaalsContact CA-O 3.3Å; V12-I52 WeakPolarHBondContact CA-O 3.46Å; V12-I52 HydrophobicContact CG1-CB 4.4Å; V12-I52 HydrophobicContact CG1-CG2 4.39Å; V12-I52 HydrophobicContact CG2-CB 4.19Å; V12-I52 HydrophobicContact CG2-CD1 4.35Å; V12-R54 HydrophobicContact CG1-CB 4.13Å; V12-P56 WeakPolarHBondContact O-CB 3.47Å; V12-F59 HydrophobicContact CB-CB 4.49Å; V12-F59 HydrophobicContact CB-CD1 4.08Å; V12-F59 HydrophobicContact CB-CG 4.31Å; V12-F59 HydrophobicContact CG1-CB 3.88Å; V12-F59 HydrophobicContact CG1-CD1 4.3Å; V12-F59 HydrophobicContact CG1-CG 4.01Å; V12-F59 HydrophobicContact CG2-CD1 3.56Å; V12-F59 HydrophobicContact CG2-CD2 4.44Å; V12-F59 HydrophobicContact CG2-CE1 3.7Å; V12-F59 HydrophobicContact CG2-CG 3.96Å; V12-F59 HydrophobicContact CG2-CZ 4.22Å
13G89.2Confident83.3Confident39 Ų3967.3 Ų67.340%0.40237%0.365SS..THydrogen-bonded Turntrans54.827.9-178.800000114.9I52 R54G13-I52 PolarHBondContact N-O 3.44Å; G13-R54 WeakPolarHBondContact CA-O 3.26Å; G13-R54 PolarHBondContact N-O 3.23Å
14G88.5Confident85.7Confident50 Ų5059.3 Ų59.352%0.51532%0.323SS..THydrogen-bonded Turntrans94.2-14.7-17500000115N11 V12N11-G14 WeakPolarHBondContact OD1-CA 3.5Å; N11-G14 PolarHBondContact OD1-N 3.37Å; N11-G14 VanDerWaalsContact OD1-N 3.11Å; N11-G14 PolarHBondContact OD1-O 3.18Å; V12-G14 PolarHBondContact O-N 3.41Å
15R94.4Very high87.2Confident125 Ų12554.4 Ų54.447%0.47231%0.307SS..EExtended strand (participates in β ladder)trans-95.1128.1-178.7-159.2-178.6-159.5167.65.6110.9N11 V12 F17 P56 D57N11-R15 WeakPolarHBondContact CA-O 3.14Å; N11-R15 PolarHBondContact OD1-N 2.79Å; V12-R15 PolarHBondContact N-O 2.9Å; V12-R15 PolarHBondContact O-N 2.55Å; R15-F17 HydrophobicContact CB-CE2 3.95Å; R15-F17 HydrophobicContact CG-CE2 4.16Å; R15-F17 HydrophobicContact CG-CZ 4.36Å; R15-F17 VanDerWaalsContact O-CD2 3.26Å; R15-F17 WeakPolarHBondContact O-CD2 3.45Å; R15-P56 HydrophobicContact CB-CB 3.64Å; R15-P56 HydrophobicContact CB-CG 4.27Å; R15-P56 HydrophobicContact CG-CB 4.37Å; R15-D57 IonicContact CZ-OD1 3.16Å; R15-D57 IonicContact NH1-OD1 3.84Å; R15-D57 PolarHBondContact NH1-OD1 3.49Å; R15-D57 IonicContact NH1-OD2 2.74Å; R15-D57 IonicContact NH2-OD1 2.67Å
16K91.5Very high88.1Confident122 Ų12254.2 Ų54.253%0.5329%0.293SS..EExtended strand (participates in β ladder)trans-86.3132-176.2-50.7-161.4-168.2-149.70111.8L10 D45 S47L10-K16 CarbonylContact O-C 3.51Å; L10-K16 WeakPolarHBondContact O-CA 3.45Å; K16-D45 VanDerWaalsContact CE-OD2 3.3Å; K16-D45 WeakPolarHBondContact CE-OD2 3.18Å; K16-D45 IonicContact NZ-OD1 3.17Å; K16-D45 IonicContact NZ-OD2 2.66Å; K16-D45 PolarHBondContact NZ-OD2 2.79Å; K16-S47 PolarHBondContact NZ-OG 3.27Å
17F93.7Very high87.8Confident30 Ų3049.6 Ų49.613%0.13227%0.268CS..EExtended strand (participates in β ladder)trans-125.9130.5177.9-67-92.3000110.2L10 V12 R15 P56 F59 L63L10-F17 HydrophobicContact CB-CB 4.48Å; L10-F17 PolarHBondContact N-O 3.41Å; L10-F17 PolarHBondContact O-N 2.96Å; V12-F17 HydrophobicContact CB-CD2 4.09Å; V12-F17 HydrophobicContact CB-CE2 4.01Å; V12-F17 HydrophobicContact CG2-CD2 3.95Å; V12-F17 HydrophobicContact CG2-CE2 4.32Å; R15-F17 HydrophobicContact CB-CE2 3.95Å; R15-F17 HydrophobicContact CG-CE2 4.16Å; R15-F17 HydrophobicContact CG-CZ 4.36Å; R15-F17 VanDerWaalsContact O-CD2 3.26Å; R15-F17 WeakPolarHBondContact O-CD2 3.45Å; F17-P56 HydrophobicContact CE2-CB 3.96Å; F17-P56 HydrophobicContact CZ-CB 4.16Å; F17-P56 VanDerWaalsContact CZ-O 3.29Å; F17-P56 WeakPolarHBondContact CZ-O 3.49Å; F17-F59 HydrophobicContact CB-CE1 4.03Å; F17-F59 HydrophobicContact CD1-CD1 4.14Å; F17-F59 HydrophobicContact CD1-CE1 4.13Å; F17-F59 AromaticContact CD2-CD1 3.72Å; F17-F59 HydrophobicContact CD2-CD1 3.72Å; F17-F59 AromaticContact CD2-CE1 3.88Å; F17-F59 HydrophobicContact CD2-CE1 3.88Å; F17-F59 HydrophobicContact CE1-CD1 4.15Å; F17-F59 AromaticContact CE2-CD1 3.73Å; F17-F59 HydrophobicContact CE2-CD1 3.73Å; F17-F59 HydrophobicContact CE2-CE1 4.36Å; F17-F59 AromaticContact CG-CD1 3.94Å; F17-F59 HydrophobicContact CG-CD1 3.94Å; F17-F59 AromaticContact CG-CE1 3.76Å; F17-F59 HydrophobicContact CG-CE1 3.76Å; F17-F59 AromaticContact CZ-CD1 3.95Å; F17-F59 HydrophobicContact CZ-CD1 3.95Å; F17-L63 HydrophobicContact CB-CD2 4.21Å; F17-L63 HydrophobicContact CD1-CD2 3.78Å; F17-L63 HydrophobicContact CG-CD2 4.32Å
18S91Very high86.9Confident71 Ų7152.2 Ų52.250%0.49728%0.275SS..EExtended strand (participates in β ladder)trans-109.7136.7170.5-60.50000110.5V8 N9 R67V8-S18 WeakPolarHBondContact O-CA 3.47Å; N9-S18 WeakPolarHBondContact OD1-CB 3.24Å; N9-S18 PolarHBondContact OD1-OG 3.2Å; S18-R67 PolarHBondContact O-NH2 3.28Å
19T90.9Very high86.1Confident12 Ų1257.6 Ų57.67%0.07430%0.304CS..EExtended strand (participates in β ladder)trans-156.8171.8177.1-164.30000111.5I7 V8 T23 L24 L63I7-T19 CarbonylContact C-O 3.55Å; I7-T19 WeakPolarHBondContact CA-O 3.37Å; V8-T19 PolarHBondContact N-O 2.97Å; V8-T19 PolarHBondContact O-N 3.28Å; T19-T23 WeakPolarHBondContact OG1-CB 3.48Å; T19-L24 HydrophobicContact CG2-CD1 3.7Å; T19-L24 HydrophobicContact CG2-CD2 3.83Å; T19-L24 HydrophobicContact CG2-CG 3.57Å; T19-L63 HydrophobicContact CG2-CD1 3.89Å
20S87.8Confident85.6Confident40 Ų4053.8 Ų53.828%0.2828%0.283SS..EExtended strand (participates in β ladder)trans-82.7148.7179.984.10000112.1D6 N22 T23 L24D6-S20 CarbonylContact O-C 3.54Å; D6-S20 WeakPolarHBondContact O-CA 3.3Å; S20-N22 PolarHBondContact O-N 3.14Å; S20-N22 PolarHBondContact OG-N 3.27Å; S20-T23 VanDerWaalsContact O-CB 3.31Å; S20-T23 WeakPolarHBondContact O-CB 3.34Å; S20-T23 PolarHBondContact O-N 3.26Å; S20-T23 PolarHBondContact OG-N 3.42Å; S20-T23 PolarHBondContact OG-OG1 3.05Å; S20-L24 PolarHBondContact O-N 2.83Å
21R84.6Confident85.4Confident55 Ų5555.6 Ų55.621%0.20829%0.291CS..Hα-helixtrans-54.9-35.9171.4-164.9-176.8171.492.65.3111D6 V8 T23 L24 L25 L36 D37D6-R21 PolarHBondContact O-N 2.92Å; V8-R21 HydrophobicContact CG2-CB 4.07Å; V8-R21 HydrophobicContact CG2-CG 4.4Å; R21-T23 VanDerWaalsContact C-N 3.31Å; R21-T23 PolarHBondContact O-N 2.82Å; R21-L24 PolarHBondContact O-N 3.28Å; R21-L25 HydrophobicContact CG-CD1 3.78Å; R21-L25 HydrophobicContact CG-CG 4.18Å; R21-L25 VanDerWaalsContact O-CB 3.31Å; R21-L25 WeakPolarHBondContact O-CB 3.2Å; R21-L25 VanDerWaalsContact O-CG 3.31Å; R21-L25 WeakPolarHBondContact O-CG 3.16Å; R21-L25 PolarHBondContact O-N 2.99Å; R21-L36 HydrophobicContact CG-CD1 4.2Å; R21-L36 PolarHBondContact NH1-O 3.15Å; R21-L36 VanDerWaalsContact NH2-C 3.34Å; R21-L36 PolarHBondContact NH2-O 3.12Å; R21-D37 IonicContact NH2-OD1 2.7Å; R21-D37 PolarHBondContact NH2-OD1 2.72Å
22N84.2Confident85.2Confident110 Ų11055 Ų5559%0.58829%0.288SS*.Hα-helixtrans-71.9-17.3177.2-66.6-25.9000114.7S20S20-N22 PolarHBondContact O-N 3.14Å; S20-N22 PolarHBondContact OG-N 3.27Å
23T85.3Confident84.7Confident17 Ų1755.9 Ų55.910%0.10429%0.294CS..Hα-helixtrans-77.5-49.6171.4-55.10000109.7T19 S20 R21 W26 L63 L66 R67T19-T23 WeakPolarHBondContact OG1-CB 3.48Å; S20-T23 VanDerWaalsContact O-CB 3.31Å; S20-T23 WeakPolarHBondContact O-CB 3.34Å; S20-T23 PolarHBondContact O-N 3.26Å; S20-T23 PolarHBondContact OG-N 3.42Å; S20-T23 PolarHBondContact OG-OG1 3.05Å; R21-T23 VanDerWaalsContact C-N 3.31Å; R21-T23 PolarHBondContact O-N 2.82Å; T23-W26 WeakPolarHBondContact O-CB 3.36Å; T23-W26 PolarHBondContact O-N 2.88Å; T23-L63 HydrophobicContact CG2-CD1 4.33Å; T23-L66 HydrophobicContact CG2-CB 4.03Å; T23-L66 WeakPolarHBondContact CG2-O 3.49Å; T23-R67 HydrophobicContact CG2-CG 3.63Å
24L87Confident84.3Confident0 Ų058 Ų580%030%0.296CS..Hα-helixtrans-69.6-39.9-178.7-64.7176.7000112.4V8 L10 T19 S20 R21 W26 F32 L36 L63 L66V8-L24 HydrophobicContact CB-CD1 3.94Å; V8-L24 HydrophobicContact CG1-CD1 3.86Å; V8-L24 HydrophobicContact CG2-CD1 4.24Å; L10-L24 HydrophobicContact CD1-CD1 4.11Å; L10-L24 HydrophobicContact CD1-CD2 4.3Å; T19-L24 HydrophobicContact CG2-CD1 3.7Å; T19-L24 HydrophobicContact CG2-CD2 3.83Å; T19-L24 HydrophobicContact CG2-CG 3.57Å; S20-L24 PolarHBondContact O-N 2.83Å; R21-L24 PolarHBondContact O-N 3.28Å; L24-W26 PolarHBondContact O-N 2.86Å; L24-F32 HydrophobicContact CB-CB 3.9Å; L24-F32 HydrophobicContact CB-CG 4.19Å; L24-F32 HydrophobicContact CD2-CD1 3.87Å; L24-F32 HydrophobicContact CD2-CD2 4.46Å; L24-F32 HydrophobicContact CD2-CE1 4.1Å; L24-F32 HydrophobicContact CD2-CG 4.07Å; L24-F32 HydrophobicContact CD2-CZ 4.5Å; L24-L36 HydrophobicContact CB-CD1 3.63Å; L24-L36 HydrophobicContact CD1-CD1 3.95Å; L24-L36 HydrophobicContact CG-CD1 4.46Å; L24-L63 HydrophobicContact CD2-CD1 4.27Å; L24-L66 HydrophobicContact CD2-CD1 4.2Å
25L84.6Confident84.1Confident37 Ų3756.1 Ų56.119%0.19427%0.274CS..THydrogen-bonded Turntrans-79.511.7176.5-63.2-175.5000114.5R21 S33 L36R21-L25 HydrophobicContact CG-CD1 3.78Å; R21-L25 HydrophobicContact CG-CG 4.18Å; R21-L25 VanDerWaalsContact O-CB 3.31Å; R21-L25 WeakPolarHBondContact O-CB 3.2Å; R21-L25 VanDerWaalsContact O-CG 3.31Å; R21-L25 WeakPolarHBondContact O-CG 3.16Å; R21-L25 PolarHBondContact O-N 2.99Å; L25-S33 VanDerWaalsContact CD2-CA 3.5Å; L25-L36 HydrophobicContact CD2-CB 4.19Å; L25-L36 HydrophobicContact CD2-CD1 3.84Å; L25-L36 HydrophobicContact CG-CD1 3.98Å
26W75.4Confident83.6Confident88 Ų8850.7 Ų50.733%0.33325%0.254SS..THydrogen-bonded Turntrans-63.6-44.8179.9172.638.7000111.8T23 L24 Y65 L66 S69T23-W26 WeakPolarHBondContact O-CB 3.36Å; T23-W26 PolarHBondContact O-N 2.88Å; L24-W26 PolarHBondContact O-N 2.86Å; W26-Y65 HydrophobicContact CH2-CE1 4.38Å; W26-Y65 HydrophobicContact CH2-CE2 4.48Å; W26-Y65 HydrophobicContact CZ3-CD1 4.25Å; W26-Y65 AromaticContact CZ3-CE1 3.88Å; W26-Y65 HydrophobicContact CZ3-CE1 3.88Å; W26-Y65 WeakPolarHBondContact CZ3-O 3.29Å; W26-L66 HydrophobicContact CE3-CD2 3.88Å; W26-L66 HydrophobicContact CZ3-CD2 4.38Å; W26-S69 WeakPolarHBondContact CH2-OG 3.19Å; W26-S69 VanDerWaalsContact CZ2-OG 3.26Å; W26-S69 WeakPolarHBondContact CZ2-OG 3.31Å
27N71.4Confident83Confident30 Ų3049.4 Ų49.416%0.1625%0.253CS..SBendtrans-91.2104.8161.3179.59.5000109.2N29 S30 A89 L90N27-N29 PolarHBondContact O-N 3.3Å; N27-N29 PolarHBondContact OD1-N 3.45Å; N27-S30 VanDerWaalsContact O-CB 3.3Å; N27-S30 WeakPolarHBondContact O-CB 3.43Å; N27-S30 PolarHBondContact O-N 3.13Å; N27-S30 VanDerWaalsContact O-N 3.12Å; N27-S30 PolarHBondContact O-OG 2.89Å; N27-A89 PolarHBondContact ND2-O 3.17Å; N27-L90 HydrophobicContact CB-CD2 4.32Å
28K68.4Low82Confident163 Ų16350.4 Ų50.471%0.70927%0.271SS*.THydrogen-bonded Turntrans-64.3-16.6179.8-64.5-171.9177.5-173.70114.4S33K28-S33 WeakPolarHBondContact O-CB 3.08Å; K28-S33 PolarHBondContact O-OG 3.18Å
29N70.9Confident81.1Confident128 Ų12850.8 Ų50.868%0.68428%0.279SS*.THydrogen-bonded Turntrans-101.19.2178.3-65.715.2000112.5N27N27-N29 PolarHBondContact O-N 3.3Å; N27-N29 PolarHBondContact OD1-N 3.45Å
30S82Confident80.1Confident0 Ų053.2 Ų53.20%029%0.291CS..SBendtrans-79.2164.4178.367.30000113.3N27 F32 S33 A89N27-S30 VanDerWaalsContact O-CB 3.3Å; N27-S30 WeakPolarHBondContact O-CB 3.43Å; N27-S30 PolarHBondContact O-N 3.13Å; N27-S30 VanDerWaalsContact O-N 3.12Å; N27-S30 PolarHBondContact O-OG 2.89Å; S30-F32 PolarHBondContact O-N 3.46Å; S30-F32 PolarHBondContact OG-N 3.26Å; S30-S33 PolarHBondContact O-N 2.81Å; S30-A89 WeakPolarHBondContact CA-O 3.49Å
31F87.3Confident78.9Confident38 Ų3857.4 Ų57.417%0.16732%0.317CS..Hα-helixtrans-44.5-40168.4170.9-98.2000111.8S33 I34 L35 L40 I52 F87 Y88F31-S33 PolarHBondContact O-N 3.44Å; F31-I34 PolarHBondContact O-N 3.11Å; F31-L35 HydrophobicContact CD1-CD2 4.4Å; F31-L35 HydrophobicContact CE1-CB 4.46Å; F31-L35 HydrophobicContact CE1-CD1 3.85Å; F31-L35 HydrophobicContact CE1-CD2 3.88Å; F31-L35 HydrophobicContact CE1-CG 4.3Å; F31-L35 HydrophobicContact CZ-CD1 3.78Å; F31-L35 VanDerWaalsContact O-CB 3.31Å; F31-L35 WeakPolarHBondContact O-CB 3.34Å; F31-L35 PolarHBondContact O-N 3.37Å; F31-L40 HydrophobicContact CD2-CD1 4.14Å; F31-L40 HydrophobicContact CE2-CD1 3.96Å; F31-I52 HydrophobicContact CE1-CD1 4.09Å; F31-F87 HydrophobicContact CE2-CZ 4.41Å; F31-F87 HydrophobicContact CZ-CE1 4.43Å; F31-Y88 VanDerWaalsContact CB-O 3.28Å; F31-Y88 WeakPolarHBondContact CB-O 3.19Å; F31-Y88 AromaticContact CD1-CD1 3.82Å; F31-Y88 HydrophobicContact CD1-CD1 3.82Å; F31-Y88 HydrophobicContact CD1-CE1 4.32Å; F31-Y88 HydrophobicContact CE1-CD1 4.31Å; F31-Y88 HydrophobicContact CE1-CE1 4.36Å; F31-Y88 HydrophobicContact CG-CD1 4.35Å; F31-Y88 PolarHBondContact N-O 3.1Å
32F88.3Confident78.3Confident0 Ų057 Ų570%032%0.321CS..Hα-helixtrans-68.2-26.6-176.4-50.8-72.8000114.4L24 S30 L35 L36 F59 L66 Y88 L90L24-F32 HydrophobicContact CB-CB 3.9Å; L24-F32 HydrophobicContact CB-CG 4.19Å; L24-F32 HydrophobicContact CD2-CD1 3.87Å; L24-F32 HydrophobicContact CD2-CD2 4.46Å; L24-F32 HydrophobicContact CD2-CE1 4.1Å; L24-F32 HydrophobicContact CD2-CG 4.07Å; L24-F32 HydrophobicContact CD2-CZ 4.5Å; S30-F32 PolarHBondContact O-N 3.46Å; S30-F32 PolarHBondContact OG-N 3.26Å; F32-L35 HydrophobicContact CD1-CD2 4.23Å; F32-L36 HydrophobicContact CB-CD1 4.35Å; F32-L36 WeakPolarHBondContact O-CB 3.42Å; F32-L36 WeakPolarHBondContact O-CD1 3.47Å; F32-L36 WeakPolarHBondContact O-CG 3.43Å; F32-L36 PolarHBondContact O-N 3.22Å; F32-F59 HydrophobicContact CE1-CE2 4.05Å; F32-F59 AromaticContact CZ-CE2 3.89Å; F32-F59 HydrophobicContact CZ-CE2 3.89Å; F32-L66 HydrophobicContact CD2-CD1 4.1Å; F32-L66 HydrophobicContact CE2-CD1 3.66Å; F32-L66 HydrophobicContact CZ-CD1 4.25Å; F32-Y88 AromaticContact CE1-CD1 3.77Å; F32-Y88 HydrophobicContact CE1-CD1 3.77Å; F32-Y88 HydrophobicContact CE1-CE1 4.01Å; F32-Y88 AromaticContact CE2-CD1 3.98Å; F32-Y88 HydrophobicContact CE2-CD1 3.98Å; F32-Y88 HydrophobicContact CE2-CG 4.13Å; F32-Y88 AromaticContact CZ-CD1 3.24Å; F32-Y88 HydrophobicContact CZ-CD1 3.24Å; F32-Y88 AromaticContact CZ-CE1 3.78Å; F32-Y88 HydrophobicContact CZ-CE1 3.78Å; F32-Y88 AromaticContact CZ-CG 3.71Å; F32-Y88 HydrophobicContact CZ-CG 3.71Å; F32-L90 HydrophobicContact CE2-CD1 4.46Å; F32-L90 HydrophobicContact CE2-CD2 4.4Å
33S81.7Confident78.2Confident18 Ų1857.7 Ų57.713%0.12632%0.324CS..Hα-helixtrans-68.7-48.7173.4-150.90000110.2L25 K28 S30 F31 L35 L36 D37L25-S33 VanDerWaalsContact CD2-CA 3.5Å; K28-S33 WeakPolarHBondContact O-CB 3.08Å; K28-S33 PolarHBondContact O-OG 3.18Å; S30-S33 PolarHBondContact O-N 2.81Å; F31-S33 PolarHBondContact O-N 3.44Å; S33-L35 VanDerWaalsContact C-N 3.27Å; S33-L35 PolarHBondContact O-N 3.35Å; S33-L36 PolarHBondContact O-N 2.55Å; S33-L36 VanDerWaalsContact O-N 3.11Å; S33-D37 VanDerWaalsContact O-CB 3.3Å; S33-D37 WeakPolarHBondContact O-CB 3.24Å; S33-D37 PolarHBondContact O-N 3.48Å; S33-D37 VanDerWaalsContact O-OD2 3.07Å; S33-D37 PolarHBondContact OG-OD2 3.24Å
34I81.5Confident78.3Confident85 Ų8564 Ų6444%0.43635%0.346SS..Hα-helixtrans-58.7-41.5178.2-42.4-179.4000110.8F31 G38 A39 L40F31-I34 PolarHBondContact O-N 3.11Å; I34-G38 PolarHBondContact O-N 3.39Å; I34-A39 HydrophobicContact CG2-CB 3.79Å; I34-A39 PolarHBondContact O-N 3.21Å; I34-L40 HydrophobicContact CB-CD1 4Å; I34-L40 HydrophobicContact CB-CG 4.41Å; I34-L40 HydrophobicContact CG2-CD1 3.84Å; I34-L40 HydrophobicContact CG2-CG 3.73Å
35L85.4Confident78.3Confident10 Ų1065.5 Ų65.55%0.05235%0.354CS..Hα-helixtrans-61.7-45.8174.5-166.380.3000113.2L10 F31 F32 S33 T42 I50 I52L10-L35 HydrophobicContact CD2-CD2 4.48Å; F31-L35 HydrophobicContact CD1-CD2 4.4Å; F31-L35 HydrophobicContact CE1-CB 4.46Å; F31-L35 HydrophobicContact CE1-CD1 3.85Å; F31-L35 HydrophobicContact CE1-CD2 3.88Å; F31-L35 HydrophobicContact CE1-CG 4.3Å; F31-L35 HydrophobicContact CZ-CD1 3.78Å; F31-L35 VanDerWaalsContact O-CB 3.31Å; F31-L35 WeakPolarHBondContact O-CB 3.34Å; F31-L35 PolarHBondContact O-N 3.37Å; F32-L35 HydrophobicContact CD1-CD2 4.23Å; S33-L35 VanDerWaalsContact C-N 3.27Å; S33-L35 PolarHBondContact O-N 3.35Å; L35-T42 HydrophobicContact CD1-CG2 3.34Å; L35-T42 HydrophobicContact CG-CG2 4.08Å; L35-I50 HydrophobicContact CD1-CG2 4.18Å; L35-I50 HydrophobicContact CD2-CG2 4.21Å; L35-I50 HydrophobicContact CG-CG2 4.4Å; L35-I52 HydrophobicContact CD2-CD1 4.31Å
36L83.5Confident78.4Confident11 Ų1173.9 Ų73.96%0.05839%0.392CS..Hα-helixtrans-88.4-22.7-170.6-72171.7000114V8 R21 L24 L25 F32 S33 G38V8-L36 HydrophobicContact CG1-CD2 3.91Å; V8-L36 HydrophobicContact CG2-CD2 3.76Å; R21-L36 HydrophobicContact CG-CD1 4.2Å; R21-L36 PolarHBondContact NH1-O 3.15Å; R21-L36 VanDerWaalsContact NH2-C 3.34Å; R21-L36 PolarHBondContact NH2-O 3.12Å; L24-L36 HydrophobicContact CB-CD1 3.63Å; L24-L36 HydrophobicContact CD1-CD1 3.95Å; L24-L36 HydrophobicContact CG-CD1 4.46Å; L25-L36 HydrophobicContact CD2-CB 4.19Å; L25-L36 HydrophobicContact CD2-CD1 3.84Å; L25-L36 HydrophobicContact CG-CD1 3.98Å; F32-L36 HydrophobicContact CB-CD1 4.35Å; F32-L36 WeakPolarHBondContact O-CB 3.42Å; F32-L36 WeakPolarHBondContact O-CD1 3.47Å; F32-L36 WeakPolarHBondContact O-CG 3.43Å; F32-L36 PolarHBondContact O-N 3.22Å; S33-L36 PolarHBondContact O-N 2.55Å; S33-L36 VanDerWaalsContact O-N 3.11Å; L36-G38 VanDerWaalsContact C-N 3.31Å
37D78.8Confident78.8Confident95 Ų9573.2 Ų73.251%0.50840%0.401SS..Hα-helixtrans-80.5-20.5170-60.2-31.4000110.5R21 S33R21-D37 IonicContact NH2-OD1 2.7Å; R21-D37 PolarHBondContact NH2-OD1 2.72Å; S33-D37 VanDerWaalsContact O-CB 3.3Å; S33-D37 WeakPolarHBondContact O-CB 3.24Å; S33-D37 PolarHBondContact O-N 3.48Å; S33-D37 VanDerWaalsContact O-OD2 3.07Å; S33-D37 PolarHBondContact OG-OD2 3.24Å
38G73.2Confident79.4Confident50 Ų5073.3 Ų73.352%0.51541%0.409SS..THydrogen-bonded Turntrans96.118.8168.700000114.4I34 L36 L40I34-G38 PolarHBondContact O-N 3.39Å; L36-G38 VanDerWaalsContact C-N 3.31Å; G38-L40 VanDerWaalsContact C-N 3.28Å
39A70.7Confident80.3Confident80 Ų8065.7 Ų65.766%0.66138%0.377SS*.  trans-80.7-7.4177.500000113.3I34I34-A39 HydrophobicContact CG2-CB 3.79Å; I34-A39 PolarHBondContact O-N 3.21Å
40L71Confident81.2Confident62 Ų6260.2 Ų60.233%0.32535%0.347SS..SBendtrans-109.6133.4169-74.5165.6000110.6F31 I34 G38 T42F31-L40 HydrophobicContact CD2-CD1 4.14Å; F31-L40 HydrophobicContact CE2-CD1 3.96Å; I34-L40 HydrophobicContact CB-CD1 4Å; I34-L40 HydrophobicContact CB-CG 4.41Å; I34-L40 HydrophobicContact CG2-CD1 3.84Å; I34-L40 HydrophobicContact CG2-CG 3.73Å; G38-L40 VanDerWaalsContact C-N 3.28Å; L40-T42 PolarHBondContact O-N 3.38Å
41P61.6Low81.7Confident129 Ų12963.2 Ų63.284%0.83836%0.361SS*.  trans-64.3129.1169.528.4-33000109.2
42T72.1Confident81.9Confident47 Ų4761.8 Ų61.829%0.28836%0.355SS..  trans-116117.6-175.935.60000110.6L35 L40 I50L35-T42 HydrophobicContact CD1-CG2 3.34Å; L35-T42 HydrophobicContact CG-CG2 4.08Å; L40-T42 PolarHBondContact O-N 3.38Å; T42-I50 HydrophobicContact CG2-CG2 3.59Å
43L81.8Confident82Confident124 Ų12468.1 Ų68.165%0.64939%0.388SS*.  trans-62.4145.4163.1-170.866.3000108.4F51L43-F51 HydrophobicContact CB-CB 4.29Å; L43-F51 HydrophobicContact CD2-CB 4.5Å; L43-F51 HydrophobicContact CD2-CD1 3.91Å; L43-F51 HydrophobicContact CD2-CG 4.46Å; L43-F51 HydrophobicContact CG-CB 4.42Å; L43-F51 PolarHBondContact O-N 3.18Å
44R87.3Confident82.5Confident149 Ų14971.3 Ų71.356%0.56240%0.398SS*.BIsolated β-bridgetrans-128146.5175.9-68.3179.1-179-116.74110G48 A49R44-G48 PolarHBondContact NH1-O 3.17Å; R44-A49 WeakPolarHBondContact CA-O 3.39Å
45D87.6Confident83Confident32 Ų3270.3 Ų70.317%0.17139%0.393CS..  trans-77.7174.7170.878.45.1000111.9N11 K16 S47 G48 A49N11-D45 PolarHBondContact ND2-OD2 2.87Å; K16-D45 VanDerWaalsContact CE-OD2 3.3Å; K16-D45 WeakPolarHBondContact CE-OD2 3.18Å; K16-D45 IonicContact NZ-OD1 3.17Å; K16-D45 IonicContact NZ-OD2 2.66Å; K16-D45 PolarHBondContact NZ-OD2 2.79Å; D45-S47 VanDerWaalsContact CG-OG 3.26Å; D45-S47 PolarHBondContact O-N 3.32Å; D45-S47 VanDerWaalsContact OD1-CA 3.32Å; D45-S47 WeakPolarHBondContact OD1-CA 3.38Å; D45-S47 WeakPolarHBondContact OD1-CB 3.49Å; D45-S47 PolarHBondContact OD1-N 3Å; D45-S47 PolarHBondContact OD1-OG 3.38Å; D45-S47 PolarHBondContact OD2-OG 3.4Å; D45-G48 WeakPolarHBondContact O-CA 3.3Å; D45-G48 PolarHBondContact O-N 3.17Å; D45-G48 PolarHBondContact OD1-N 3.1Å; D45-G48 VanDerWaalsContact OD1-N 3.17Å; D45-A49 PolarHBondContact N-O 3.35Å; D45-A49 PolarHBondContact OD1-N 2.89Å
46E85.7Confident83.3Confident212 Ų21271.1 Ų71.199%0.99140%0.399SS*.THydrogen-bonded Turntrans-58.6-19.3179.4-60175.1168.100113.9
47S84.4Confident83.6Confident74 Ų7475.1 Ų75.152%0.51742%0.421SS..THydrogen-bonded Turntrans-94.66.8174.264.40000113.8K16 D45 A49K16-S47 PolarHBondContact NZ-OG 3.27Å; D45-S47 VanDerWaalsContact CG-OG 3.26Å; D45-S47 PolarHBondContact O-N 3.32Å; D45-S47 VanDerWaalsContact OD1-CA 3.32Å; D45-S47 WeakPolarHBondContact OD1-CA 3.38Å; D45-S47 WeakPolarHBondContact OD1-CB 3.49Å; D45-S47 PolarHBondContact OD1-N 3Å; D45-S47 PolarHBondContact OD1-OG 3.38Å; D45-S47 PolarHBondContact OD2-OG 3.4Å; S47-A49 VanDerWaalsContact C-N 3.26Å; S47-A49 PolarHBondContact O-N 2.57Å
48G84.7Confident84.1Confident33 Ų3372.2 Ų72.234%0.3440%0.404SS..  trans76.16.3179.200000115R44 D45R44-G48 PolarHBondContact NH1-O 3.17Å; D45-G48 WeakPolarHBondContact O-CA 3.3Å; D45-G48 PolarHBondContact O-N 3.17Å; D45-G48 PolarHBondContact OD1-N 3.1Å; D45-G48 VanDerWaalsContact OD1-N 3.17Å
49A87.8Confident85.1Confident3 Ų369.9 Ų69.93%0.02538%0.38CS..PPolyproline II helixtrans-72.5143.6176.400000110.4N9 N11 R44 D45 S47 F51N9-A49 HydrophobicContact CB-CB 3.9Å; N9-A49 WeakPolarHBondContact O-CA 3.2Å; N11-A49 HydrophobicContact CB-CB 4.26Å; R44-A49 WeakPolarHBondContact CA-O 3.39Å; D45-A49 PolarHBondContact N-O 3.35Å; D45-A49 PolarHBondContact OD1-N 2.89Å; S47-A49 VanDerWaalsContact C-N 3.26Å; S47-A49 PolarHBondContact O-N 2.57Å; A49-F51 PolarHBondContact O-N 3.41Å
50I89.6Confident86.1Confident12 Ų1267.8 Ų67.86%0.06236%0.36CS..EExtended strand (participates in β ladder)trans-72.2118.8-179.1-64.3168.2000108.9N9 L10 N11 L35 T42 I52N9-I50 PolarHBondContact O-N 2.83Å; L10-I50 CarbonylContact C-O 3.58Å; L10-I50 WeakPolarHBondContact CA-O 3.4Å; L10-I50 HydrophobicContact CD2-CB 3.95Å; L10-I50 HydrophobicContact CD2-CD1 4.46Å; L10-I50 HydrophobicContact CD2-CG2 4.42Å; N11-I50 PolarHBondContact N-O 2.94Å; L35-I50 HydrophobicContact CD1-CG2 4.18Å; L35-I50 HydrophobicContact CD2-CG2 4.21Å; L35-I50 HydrophobicContact CG-CG2 4.4Å; T42-I50 HydrophobicContact CG2-CG2 3.59Å; I50-I52 HydrophobicContact CG2-CG1 4.43Å
51F92.2Very high86.9Confident64 Ų6465.9 Ų65.928%0.28135%0.352SS..EExtended strand (participates in β ladder)trans-79.4136.9178.3-175.3-105.4000111.3N11 L43 A49 D53N11-F51 HydrophobicContact CB-CD2 4.22Å; N11-F51 CarbonylContact O-C 3.51Å; N11-F51 VanDerWaalsContact O-CA 3.28Å; N11-F51 WeakPolarHBondContact O-CA 3.34Å; N11-F51 WeakPolarHBondContact O-CD2 3.44Å; L43-F51 HydrophobicContact CB-CB 4.29Å; L43-F51 HydrophobicContact CD2-CB 4.5Å; L43-F51 HydrophobicContact CD2-CD1 3.91Å; L43-F51 HydrophobicContact CD2-CG 4.46Å; L43-F51 HydrophobicContact CG-CB 4.42Å; L43-F51 PolarHBondContact O-N 3.18Å; A49-F51 PolarHBondContact O-N 3.41Å; F51-D53 HydrophobicContact CE1-CB 3.74Å; F51-D53 HydrophobicContact CZ-CB 4.23Å
52I90.6Very high88.4Confident8 Ų859.8 Ų59.84%0.04131%0.312CS..EExtended strand (participates in β ladder)trans-135116.5177.2-59.5173.6000107.5L10 N11 V12 G13 F31 L35 I50 R54 F87 Y88L10-I52 HydrophobicContact CD1-CD1 4.31Å; L10-I52 HydrophobicContact CD2-CD1 4.24Å; N11-I52 PolarHBondContact O-N 3.4Å; V12-I52 VanDerWaalsContact CA-O 3.3Å; V12-I52 WeakPolarHBondContact CA-O 3.46Å; V12-I52 HydrophobicContact CG1-CB 4.4Å; V12-I52 HydrophobicContact CG1-CG2 4.39Å; V12-I52 HydrophobicContact CG2-CB 4.19Å; V12-I52 HydrophobicContact CG2-CD1 4.35Å; G13-I52 PolarHBondContact N-O 3.44Å; F31-I52 HydrophobicContact CE1-CD1 4.09Å; L35-I52 HydrophobicContact CD2-CD1 4.31Å; I50-I52 HydrophobicContact CG2-CG1 4.43Å; I52-R54 VanDerWaalsContact C-N 3.33Å; I52-R54 HydrophobicContact CG2-CB 4.28Å; I52-R54 HydrophobicContact CG2-CG 3.85Å; I52-R54 PolarHBondContact O-N 3.47Å; I52-F87 HydrophobicContact CG2-CE1 4.25Å; I52-Y88 HydrophobicContact CG2-CE1 4.11Å
53D91.8Very high89.3Confident133 Ų13357.5 Ų57.571%0.71130%0.298SS*.  trans-84.772.3-175.4-160.825.5000111.5F51F51-D53 HydrophobicContact CE1-CB 3.74Å; F51-D53 HydrophobicContact CZ-CB 4.23Å
54R92.1Very high89.5Confident84 Ų8455.2 Ų55.232%0.31729%0.286SS..SBendtrans-141.5170.8179-60.5-56.4-68.4177.32.2111.2V12 G13 I52 E84 F87 Y88V12-R54 HydrophobicContact CG1-CB 4.13Å; G13-R54 WeakPolarHBondContact CA-O 3.26Å; G13-R54 PolarHBondContact N-O 3.23Å; I52-R54 VanDerWaalsContact C-N 3.33Å; I52-R54 HydrophobicContact CG2-CB 4.28Å; I52-R54 HydrophobicContact CG2-CG 3.85Å; I52-R54 PolarHBondContact O-N 3.47Å; R54-E84 IonicContact CZ-OE1 3.31Å; R54-E84 VanDerWaalsContact CZ-OE1 3.3Å; R54-E84 IonicContact CZ-OE2 2.84Å; R54-E84 IonicContact NE-OE1 3.65Å; R54-E84 PolarHBondContact NE-OE1 3.32Å; R54-E84 IonicContact NE-OE2 3.01Å; R54-E84 PolarHBondContact NE-OE2 2.82Å; R54-E84 IonicContact NH2-OE1 2.78Å; R54-E84 PolarHBondContact NH2-OE1 3.24Å; R54-E84 IonicContact NH2-OE2 3.83Å; R54-E84 PolarHBondContact NH2-OE2 2.87Å; R54-F87 HydrophobicContact CG-CD1 3.7Å; R54-F87 HydrophobicContact CG-CE1 3.4Å; R54-F87 VanDerWaalsContact CG-CE1 3.4Å; R54-F87 HydrophobicContact CG-CE2 4.47Å; R54-F87 HydrophobicContact CG-CG 4.38Å; R54-F87 HydrophobicContact CG-CZ 3.83Å; R54-Y88 WeakPolarHBondContact CB-OH 3.44Å
55D90.7Very high89.5Confident65 Ų6548.8 Ų48.835%0.34826%0.262SS..  trans-62.6120.6176-179.1-23.9000112D57 M58 F59D55-D57 WeakPolarHBondContact OD1-CA 3.11Å; D55-D57 PolarHBondContact OD1-N 3.31Å; D55-M58 HydrophobicContact CB-CB 4.08Å; D55-M58 HydrophobicContact CB-CG 4.18Å; D55-M58 PolarHBondContact OD1-N 3.1Å; D55-M58 VanDerWaalsContact OD1-N 3.07Å; D55-M58 VanDerWaalsContact OD2-CG 3.24Å; D55-M58 WeakPolarHBondContact OD2-CG 3.45Å; D55-F59 VanDerWaalsContact O-CB 3.26Å; D55-F59 WeakPolarHBondContact O-CB 3.47Å; D55-F59 PolarHBondContact O-N 3.29Å
56P92.2Very high89.4Confident27 Ų2747.2 Ų47.218%0.17525%0.254CS..Hα-helixtrans-72-30.9178.628.2-33.4000114.7V12 R15 F17 S60V12-P56 WeakPolarHBondContact O-CB 3.47Å; R15-P56 HydrophobicContact CB-CB 3.64Å; R15-P56 HydrophobicContact CB-CG 4.27Å; R15-P56 HydrophobicContact CG-CB 4.37Å; F17-P56 HydrophobicContact CE2-CB 3.96Å; F17-P56 HydrophobicContact CZ-CB 4.16Å; F17-P56 VanDerWaalsContact CZ-O 3.29Å; F17-P56 WeakPolarHBondContact CZ-O 3.49Å; P56-S60 PolarHBondContact O-N 2.98Å
57D90.2Very high89.3Confident95 Ų9542.3 Ų42.351%0.50823%0.226SC..Hα-helixtrans-73.3-43.6180-77.2-52.5000110R15 D55 S60R15-D57 IonicContact CZ-OD1 3.16Å; R15-D57 IonicContact NH1-OD1 3.84Å; R15-D57 PolarHBondContact NH1-OD1 3.49Å; R15-D57 IonicContact NH1-OD2 2.74Å; R15-D57 IonicContact NH2-OD1 2.67Å; D55-D57 WeakPolarHBondContact OD1-CA 3.11Å; D55-D57 PolarHBondContact OD1-N 3.31Å; D57-S60 VanDerWaalsContact O-CB 3.31Å; D57-S60 WeakPolarHBondContact O-CB 2.93Å; D57-S60 PolarHBondContact O-N 2.75Å; D57-S60 VanDerWaalsContact O-N 3.15Å; D57-S60 PolarHBondContact O-OG 3.04Å
58M89.5Confident88.9Confident34 Ų3442 Ų4217%0.16722%0.222CC..Hα-helixtrans-63.7-41.8170.1-65.1-69.3168.400111.7D55 S60 V61 I62 V76 L81 E84D55-M58 HydrophobicContact CB-CB 4.08Å; D55-M58 HydrophobicContact CB-CG 4.18Å; D55-M58 PolarHBondContact OD1-N 3.1Å; D55-M58 VanDerWaalsContact OD1-N 3.07Å; D55-M58 VanDerWaalsContact OD2-CG 3.24Å; D55-M58 WeakPolarHBondContact OD2-CG 3.45Å; M58-S60 PolarHBondContact O-N 2.81Å; M58-V61 WeakPolarHBondContact O-CB 3.31Å; M58-V61 PolarHBondContact O-N 3.36Å; M58-I62 WeakPolarHBondContact O-CG1 3.35Å; M58-I62 PolarHBondContact O-N 3.09Å; M58-V76 HydrophobicContact CE-CG1 4.15Å; M58-V76 HydrophobicContact SD-CG1 3.77Å; M58-L81 HydrophobicContact SD-CB 4.46Å; M58-L81 HydrophobicContact SD-CD1 4.47Å; M58-E84 HydrophobicContact CB-CG 3.75Å; M58-E84 HydrophobicContact CG-CG 4.37Å
59F93.4Very high88.4Confident0 Ų042 Ų420%022%0.216CC..Hα-helixtrans-60.2-29.3174-179.3-105000112.8L10 V12 F17 F32 D55 V61 I62 L63 Y88L10-F59 HydrophobicContact CD1-CE1 4.15Å; L10-F59 HydrophobicContact CD1-CZ 3.59Å; V12-F59 HydrophobicContact CB-CB 4.49Å; V12-F59 HydrophobicContact CB-CD1 4.08Å; V12-F59 HydrophobicContact CB-CG 4.31Å; V12-F59 HydrophobicContact CG1-CB 3.88Å; V12-F59 HydrophobicContact CG1-CD1 4.3Å; V12-F59 HydrophobicContact CG1-CG 4.01Å; V12-F59 HydrophobicContact CG2-CD1 3.56Å; V12-F59 HydrophobicContact CG2-CD2 4.44Å; V12-F59 HydrophobicContact CG2-CE1 3.7Å; V12-F59 HydrophobicContact CG2-CG 3.96Å; V12-F59 HydrophobicContact CG2-CZ 4.22Å; F17-F59 HydrophobicContact CB-CE1 4.03Å; F17-F59 HydrophobicContact CD1-CD1 4.14Å; F17-F59 HydrophobicContact CD1-CE1 4.13Å; F17-F59 AromaticContact CD2-CD1 3.72Å; F17-F59 HydrophobicContact CD2-CD1 3.72Å; F17-F59 AromaticContact CD2-CE1 3.88Å; F17-F59 HydrophobicContact CD2-CE1 3.88Å; F17-F59 HydrophobicContact CE1-CD1 4.15Å; F17-F59 AromaticContact CE2-CD1 3.73Å; F17-F59 HydrophobicContact CE2-CD1 3.73Å; F17-F59 HydrophobicContact CE2-CE1 4.36Å; F17-F59 AromaticContact CG-CD1 3.94Å; F17-F59 HydrophobicContact CG-CD1 3.94Å; F17-F59 AromaticContact CG-CE1 3.76Å; F17-F59 HydrophobicContact CG-CE1 3.76Å; F17-F59 AromaticContact CZ-CD1 3.95Å; F17-F59 HydrophobicContact CZ-CD1 3.95Å; F32-F59 HydrophobicContact CE1-CE2 4.05Å; F32-F59 AromaticContact CZ-CE2 3.89Å; F32-F59 HydrophobicContact CZ-CE2 3.89Å; D55-F59 VanDerWaalsContact O-CB 3.26Å; D55-F59 WeakPolarHBondContact O-CB 3.47Å; D55-F59 PolarHBondContact O-N 3.29Å; F59-V61 VanDerWaalsContact C-N 3.29Å; F59-V61 PolarHBondContact O-N 3.11Å; F59-I62 HydrophobicContact CD2-CB 4.34Å; F59-I62 HydrophobicContact CD2-CG2 4.41Å; F59-I62 PolarHBondContact O-N 2.78Å; F59-L63 HydrophobicContact CD1-CB 4.49Å; F59-L63 HydrophobicContact CE1-CB 4.11Å; F59-L63 HydrophobicContact CE1-CD2 3.88Å; F59-L63 HydrophobicContact CE1-CG 4.46Å; F59-L63 HydrophobicContact CZ-CB 4.16Å; F59-L63 HydrophobicContact CZ-CD1 4.42Å; F59-L63 HydrophobicContact CZ-CD2 4.34Å; F59-L63 VanDerWaalsContact O-CB 3.22Å; F59-L63 WeakPolarHBondContact O-CB 3.01Å; F59-L63 PolarHBondContact O-N 2.75Å; F59-Y88 HydrophobicContact CD2-CE1 4.17Å; F59-Y88 AromaticContact CD2-CE2 3.83Å; F59-Y88 HydrophobicContact CD2-CE2 3.83Å; F59-Y88 AromaticContact CD2-CZ 3.53Å; F59-Y88 WeakPolarHBondContact CD2-OH 3.43Å; F59-Y88 HydrophobicContact CE2-CE1 4.28Å
60S91.2Very high87.4Confident36 Ų3644.2 Ų44.225%0.25223%0.226SC..Hα-helixtrans-62.2-37.4173.586.90000112.1P56 D57 M58 N64P56-S60 PolarHBondContact O-N 2.98Å; D57-S60 VanDerWaalsContact O-CB 3.31Å; D57-S60 WeakPolarHBondContact O-CB 2.93Å; D57-S60 PolarHBondContact O-N 2.75Å; D57-S60 VanDerWaalsContact O-N 3.15Å; D57-S60 PolarHBondContact O-OG 3.04Å; M58-S60 PolarHBondContact O-N 2.81Å; S60-N64 WeakPolarHBondContact O-CB 3.18Å; S60-N64 PolarHBondContact O-N 2.95Å; S60-N64 PolarHBondContact O-ND2 3.4Å
61V89.4Confident86.7Confident23 Ų2344.8 Ų44.814%0.13923%0.23CC..Hα-helixtrans-70.2-44.8175.5-171.90000110.5M58 F59 L63 N64 Y65 V71 V76 L81M58-V61 WeakPolarHBondContact O-CB 3.31Å; M58-V61 PolarHBondContact O-N 3.36Å; F59-V61 VanDerWaalsContact C-N 3.29Å; F59-V61 PolarHBondContact O-N 3.11Å; V61-L63 PolarHBondContact O-N 3.05Å; V61-N64 PolarHBondContact O-N 3.4Å; V61-Y65 PolarHBondContact O-N 2.82Å; V61-V71 HydrophobicContact CG1-CG1 4.26Å; V61-V76 HydrophobicContact CG2-CG2 4.21Å; V61-L81 HydrophobicContact CB-CD1 3.82Å; V61-L81 HydrophobicContact CG1-CD1 3.78Å; V61-L81 HydrophobicContact CG1-CD2 3.76Å; V61-L81 HydrophobicContact CG1-CG 4.45Å
62I91.3Very high85.7Confident0 Ų047.5 Ų47.50%025%0.248CC..Hα-helixtrans-56.6-48.1173.8-61.4-61.5000111.3M58 F59 N64 Y65 L66 L81 E84 A85 Y88 L90 L93M58-I62 WeakPolarHBondContact O-CG1 3.35Å; M58-I62 PolarHBondContact O-N 3.09Å; F59-I62 HydrophobicContact CD2-CB 4.34Å; F59-I62 HydrophobicContact CD2-CG2 4.41Å; F59-I62 PolarHBondContact O-N 2.78Å; I62-N64 PolarHBondContact O-N 3.45Å; I62-Y65 WeakPolarHBondContact O-CB 3.08Å; I62-Y65 PolarHBondContact O-N 2.65Å; I62-L66 HydrophobicContact CG2-CD1 4.33Å; I62-L66 WeakPolarHBondContact O-CG 3.49Å; I62-L66 PolarHBondContact O-N 3.36Å; I62-L81 HydrophobicContact CD1-CD1 3.8Å; I62-L81 HydrophobicContact CG1-CD1 4.27Å; I62-E84 HydrophobicContact CD1-CB 4.19Å; I62-E84 HydrophobicContact CG1-CB 4.23Å; I62-A85 HydrophobicContact CD1-CB 4.22Å; I62-Y88 HydrophobicContact CG1-CD2 4.06Å; I62-Y88 HydrophobicContact CG1-CE2 4.23Å; I62-Y88 HydrophobicContact CG2-CD2 3.93Å; I62-Y88 HydrophobicContact CG2-CE2 4.44Å; I62-Y88 HydrophobicContact CG2-CG 4.42Å; I62-L90 HydrophobicContact CG2-CD1 3.48Å; I62-L90 VanDerWaalsContact CG2-CD1 3.48Å; I62-L93 HydrophobicContact CD1-CD2 3.47Å; I62-L93 VanDerWaalsContact CD1-CD2 3.47Å
63L91.2Very high85Confident0 Ų049.4 Ų49.40%026%0.257CS..Hα-helixtrans-69.2-33.7-178.1-178.559.7000112.2F17 T19 T23 L24 F59 V61 L66 R67F17-L63 HydrophobicContact CB-CD2 4.21Å; F17-L63 HydrophobicContact CD1-CD2 3.78Å; F17-L63 HydrophobicContact CG-CD2 4.32Å; T19-L63 HydrophobicContact CG2-CD1 3.89Å; T23-L63 HydrophobicContact CG2-CD1 4.33Å; L24-L63 HydrophobicContact CD2-CD1 4.27Å; F59-L63 HydrophobicContact CD1-CB 4.49Å; F59-L63 HydrophobicContact CE1-CB 4.11Å; F59-L63 HydrophobicContact CE1-CD2 3.88Å; F59-L63 HydrophobicContact CE1-CG 4.46Å; F59-L63 HydrophobicContact CZ-CB 4.16Å; F59-L63 HydrophobicContact CZ-CD1 4.42Å; F59-L63 HydrophobicContact CZ-CD2 4.34Å; F59-L63 VanDerWaalsContact O-CB 3.22Å; F59-L63 WeakPolarHBondContact O-CB 3.01Å; F59-L63 PolarHBondContact O-N 2.75Å; V61-L63 PolarHBondContact O-N 3.05Å; L63-L66 PolarHBondContact O-N 2.96Å; L63-R67 WeakPolarHBondContact O-CD 3.5Å; L63-R67 VanDerWaalsContact O-CG 3.26Å; L63-R67 WeakPolarHBondContact O-CG 3.14Å; L63-R67 PolarHBondContact O-N 3.06Å
64N86.7Confident83.9Confident76 Ų7649.7 Ų49.741%0.40626%0.259SS..Hα-helixtrans-69.5-41.1172.6-72.7-21.7000111.5S60 V61 I62 L66 R67 T68S60-N64 WeakPolarHBondContact O-CB 3.18Å; S60-N64 PolarHBondContact O-N 2.95Å; S60-N64 PolarHBondContact O-ND2 3.4Å; V61-N64 PolarHBondContact O-N 3.4Å; I62-N64 PolarHBondContact O-N 3.45Å; N64-L66 VanDerWaalsContact C-N 3.3Å; N64-L66 PolarHBondContact O-N 3.4Å; N64-R67 WeakPolarHBondContact O-CA 3.3Å; N64-R67 WeakPolarHBondContact O-CB 3.4Å; N64-R67 PolarHBondContact O-N 2.98Å; N64-R67 PolarHBondContact OD1-NH1 2.81Å; N64-T68 PolarHBondContact O-N 3.03Å; N64-T68 PolarHBondContact O-OG1 2.89Å; N64-T68 VanDerWaalsContact O-OG1 3.06Å
65Y86.5Confident82.8Confident13 Ų1349.9 Ų49.95%0.05129%0.287CS..Hα-helixtrans-55.9-44169.3168.8-100.3000112.1W26 V61 I62 R67 T68 S69 E70 V71 S92 L93W26-Y65 HydrophobicContact CH2-CE1 4.38Å; W26-Y65 HydrophobicContact CH2-CE2 4.48Å; W26-Y65 HydrophobicContact CZ3-CD1 4.25Å; W26-Y65 AromaticContact CZ3-CE1 3.88Å; W26-Y65 HydrophobicContact CZ3-CE1 3.88Å; W26-Y65 WeakPolarHBondContact CZ3-O 3.29Å; V61-Y65 PolarHBondContact O-N 2.82Å; I62-Y65 WeakPolarHBondContact O-CB 3.08Å; I62-Y65 PolarHBondContact O-N 2.65Å; Y65-R67 PolarHBondContact O-N 3.32Å; Y65-T68 PolarHBondContact O-N 3.42Å; Y65-S69 WeakPolarHBondContact O-CA 3.29Å; Y65-S69 PolarHBondContact O-N 3.18Å; Y65-E70 VanDerWaalsContact CA-O 3.31Å; Y65-E70 WeakPolarHBondContact CA-O 3.28Å; Y65-V71 HydrophobicContact CD2-CG2 3.5Å; Y65-V71 VanDerWaalsContact CD2-CG2 3.5Å; Y65-V71 HydrophobicContact CE2-CG2 4.13Å; Y65-V71 HydrophobicContact CG-CG2 4.24Å; Y65-S92 WeakPolarHBondContact OH-CB 3.45Å; Y65-S92 PolarHBondContact OH-OG 3.29Å; Y65-L93 HydrophobicContact CD1-CB 4.12Å; Y65-L93 HydrophobicContact CD1-CD1 4.41Å; Y65-L93 HydrophobicContact CD1-CD2 3.88Å; Y65-L93 HydrophobicContact CD1-CG 4.37Å; Y65-L93 HydrophobicContact CD2-CD1 4.02Å; Y65-L93 HydrophobicContact CE1-CB 3.68Å; Y65-L93 HydrophobicContact CE1-CD2 4.31Å; Y65-L93 HydrophobicContact CE1-CG 4.39Å; Y65-L93 HydrophobicContact CE2-CB 4.44Å; Y65-L93 HydrophobicContact CE2-CD1 4.11Å; Y65-L93 HydrophobicContact CG-CD1 4.14Å; Y65-L93 HydrophobicContact CG-CD2 4.13Å; Y65-L93 PolarHBondContact OH-N 2.69Å
66L86.6Confident82.2Confident0 Ų048.3 Ų48.30%028%0.28CS..Hα-helixtrans-64.9-17.8176.6-70173.8000114.2T23 L24 W26 F32 I62 L63 N64 L90T23-L66 HydrophobicContact CG2-CB 4.03Å; T23-L66 WeakPolarHBondContact CG2-O 3.49Å; L24-L66 HydrophobicContact CD2-CD1 4.2Å; W26-L66 HydrophobicContact CE3-CD2 3.88Å; W26-L66 HydrophobicContact CZ3-CD2 4.38Å; F32-L66 HydrophobicContact CD2-CD1 4.1Å; F32-L66 HydrophobicContact CE2-CD1 3.66Å; F32-L66 HydrophobicContact CZ-CD1 4.25Å; I62-L66 HydrophobicContact CG2-CD1 4.33Å; I62-L66 WeakPolarHBondContact O-CG 3.49Å; I62-L66 PolarHBondContact O-N 3.36Å; L63-L66 PolarHBondContact O-N 2.96Å; N64-L66 VanDerWaalsContact C-N 3.3Å; N64-L66 PolarHBondContact O-N 3.4Å; L66-L90 HydrophobicContact CD1-CD1 4.49Å; L66-L90 HydrophobicContact CD2-CD1 4.29Å; L66-L90 HydrophobicContact CD2-CD2 3.99Å; L66-L90 HydrophobicContact CG-CD1 4.41Å
67R82.5Confident81.6Confident108 Ų10850.6 Ų50.641%0.40829%0.291SS..Hα-helixtrans-90.8-46.6175.7-69.3162175.4164.4-7.7112.2S18 T23 L63 N64 Y65S18-R67 PolarHBondContact O-NH2 3.28Å; T23-R67 HydrophobicContact CG2-CG 3.63Å; L63-R67 WeakPolarHBondContact O-CD 3.5Å; L63-R67 VanDerWaalsContact O-CG 3.26Å; L63-R67 WeakPolarHBondContact O-CG 3.14Å; L63-R67 PolarHBondContact O-N 3.06Å; N64-R67 WeakPolarHBondContact O-CA 3.3Å; N64-R67 WeakPolarHBondContact O-CB 3.4Å; N64-R67 PolarHBondContact O-N 2.98Å; N64-R67 PolarHBondContact OD1-NH1 2.81Å; Y65-R67 PolarHBondContact O-N 3.32Å
68T76.2Confident81.3Confident69 Ų6947.1 Ų47.142%0.42327%0.272SS..Hα-helixtrans-104.5-17.5-16862.70000114.7N64 Y65 E70N64-T68 PolarHBondContact O-N 3.03Å; N64-T68 PolarHBondContact O-OG1 2.89Å; N64-T68 VanDerWaalsContact O-OG1 3.06Å; Y65-T68 PolarHBondContact O-N 3.42Å; T68-E70 PolarHBondContact O-N 2.81Å; T68-E70 WeakPolarHBondContact OG1-CB 3.22Å; T68-E70 PolarHBondContact OG1-N 2.85Å; T68-E70 VanDerWaalsContact OG1-N 3.07Å
69S73.5Confident81Confident32 Ų3249.1 Ų49.122%0.22428%0.283CS..SBendtrans63.79.9-164.3-40.90000115W26 Y65 R1089W26-S69 WeakPolarHBondContact CH2-OG 3.19Å; W26-S69 VanDerWaalsContact CZ2-OG 3.26Å; W26-S69 WeakPolarHBondContact CZ2-OG 3.31Å; Y65-S69 WeakPolarHBondContact O-CA 3.29Å; Y65-S69 PolarHBondContact O-N 3.18Å; S69-R1089 PolarHBondContact O-NH2 2.88Å; S69-R1089 VanDerWaalsContact O-NH2 3.09Å
70E67.8Low80.7Confident49 Ų4951.4 Ų51.423%0.22930%0.299CS..  trans-110.4159.9-179.6-63.6172-177.500110.1Y65 T68 H1087Y65-E70 VanDerWaalsContact CA-O 3.31Å; Y65-E70 WeakPolarHBondContact CA-O 3.28Å; T68-E70 PolarHBondContact O-N 2.81Å; T68-E70 WeakPolarHBondContact OG1-CB 3.22Å; T68-E70 PolarHBondContact OG1-N 2.85Å; T68-E70 VanDerWaalsContact OG1-N 3.07Å; E70-H1087 IonicContact OE1-CE1 2.79Å; E70-H1087 IonicContact OE1-CG 3.54Å; E70-H1087 IonicContact OE1-ND1 3.5Å; E70-H1087 PolarHBondContact OE1-ND1 3.34Å; E70-H1087 IonicContact OE2-ND1 3.52Å
71V74.1Confident80.6Confident24 Ų2449.7 Ų49.715%0.14529%0.287CS..  trans-136.1119.2-180-1700000107.9V61 Y65 L73 L81 L93 K96 L97V61-V71 HydrophobicContact CG1-CG1 4.26Å; Y65-V71 HydrophobicContact CD2-CG2 3.5Å; Y65-V71 VanDerWaalsContact CD2-CG2 3.5Å; Y65-V71 HydrophobicContact CE2-CG2 4.13Å; Y65-V71 HydrophobicContact CG-CG2 4.24Å; V71-L73 HydrophobicContact CG1-CD2 3.62Å; V71-L73 HydrophobicContact CG1-CG 4.21Å; V71-L81 HydrophobicContact CG1-CD2 3.83Å; V71-L93 HydrophobicContact CG1-CD1 4.41Å; V71-L93 HydrophobicContact CG2-CD1 3.43Å; V71-L93 VanDerWaalsContact CG2-CD1 3.43Å; V71-K96 HydrophobicContact CG2-CD 4.08Å; V71-L97 HydrophobicContact CG1-CD2 4.44Å
72N71.5Confident80.5Confident122 Ų12250.3 Ų50.365%0.65229%0.288SS*.  trans-90.6105.4173.9-67.2-12.1000107.9N74N72-N74 VanDerWaalsContact C-N 3.3Å
73L76.1Confident80.3Confident47 Ų4754.6 Ų54.625%0.24631%0.311CS..  trans-86.3-1179.4-60.6176.9000113V71 G75 V76 I78 L81 L97 C100V71-L73 HydrophobicContact CG1-CD2 3.62Å; V71-L73 HydrophobicContact CG1-CG 4.21Å; L73-G75 PolarHBondContact O-N 2.78Å; L73-V76 PolarHBondContact O-N 3.26Å; L73-V76 VanDerWaalsContact O-N 3.11Å; L73-I78 HydrophobicContact CD1-CD1 4.43Å; L73-I78 HydrophobicContact CD2-CG1 4.47Å; L73-L81 HydrophobicContact CD2-CD2 3.89Å; L73-L97 HydrophobicContact CD2-CD2 3.65Å; L73-C100 HydrophobicContact CD1-CB 4.02Å
74N69.7Low80.3Confident139 Ų13955.3 Ų55.374%0.74331%0.314SS*.THydrogen-bonded Turntrans-63.2104.9-175.9-63.711.7000110.8N72N72-N74 VanDerWaalsContact C-N 3.3Å
75G68.5Low80.5Confident89 Ų8951.7 Ų51.792%0.91830%0.295SS*.THydrogen-bonded Turntrans80.99.5-179.500000115.1L73L73-G75 PolarHBondContact O-N 2.78Å
76V77.3Confident80.6Confident31 Ų3154.6 Ų54.619%0.18831%0.309CS..  trans-109.4128.2179.1-174.30000109.5M58 V61 L73 I78 L81M58-V76 HydrophobicContact CE-CG1 4.15Å; M58-V76 HydrophobicContact SD-CG1 3.77Å; V61-V76 HydrophobicContact CG2-CG2 4.21Å; L73-V76 PolarHBondContact O-N 3.26Å; L73-V76 VanDerWaalsContact O-N 3.11Å; V76-I78 PolarHBondContact O-N 3.36Å; V76-L81 HydrophobicContact CG1-CB 4.05Å; V76-L81 HydrophobicContact CG1-CD2 4.14Å
77D81.1Confident80.8Confident75 Ų7558.6 Ų58.640%0.40133%0.326SS..  trans-65.2123.3172167.540.5000110.6N79 S80 L81D77-N79 VanDerWaalsContact C-N 3.25Å; D77-N79 PolarHBondContact O-N 3.29Å; D77-N79 PolarHBondContact OD1-N 3.46Å; D77-S80 PolarHBondContact O-N 3.1Å; D77-S80 VanDerWaalsContact OD2-CB 3.25Å; D77-S80 WeakPolarHBondContact OD2-CB 3.49Å; D77-S80 PolarHBondContact OD2-N 2.8Å; D77-S80 PolarHBondContact OD2-OG 3.38Å; D77-L81 WeakPolarHBondContact O-CB 3.42Å; D77-L81 PolarHBondContact O-N 2.69Å
78I82.9Confident81.2Confident23 Ų2353.4 Ų53.412%0.11831%0.307CS..Hα-helixtrans-61.7-36.4-179.2-61.2175.7000110.4L73 V76 K82 L97 C100 E101 L104L73-I78 HydrophobicContact CD1-CD1 4.43Å; L73-I78 HydrophobicContact CD2-CG1 4.47Å; V76-I78 PolarHBondContact O-N 3.36Å; I78-K82 WeakPolarHBondContact O-CB 3.46Å; I78-K82 PolarHBondContact O-N 2.79Å; I78-L97 HydrophobicContact CG2-CB 4.26Å; I78-L97 HydrophobicContact CG2-CD2 4.42Å; I78-C100 HydrophobicContact CD1-CB 4.38Å; I78-E101 HydrophobicContact CG2-CB 4.34Å; I78-L104 HydrophobicContact CD1-CD1 3.57Å
79N83.8Confident81.8Confident76 Ų7651.7 Ų51.741%0.40630%0.299SS..Hα-helixtrans-70.6-47-178.2-69.6-63.2000112D77 L81 K82 N83D77-N79 VanDerWaalsContact C-N 3.25Å; D77-N79 PolarHBondContact O-N 3.29Å; D77-N79 PolarHBondContact OD1-N 3.46Å; N79-L81 VanDerWaalsContact C-N 3.34Å; N79-L81 PolarHBondContact O-N 3.38Å; N79-K82 WeakPolarHBondContact O-CB 3.46Å; N79-K82 PolarHBondContact O-N 3.18Å; N79-N83 PolarHBondContact O-N 2.94Å; N79-N83 PolarHBondContact O-ND2 2.79Å
80S86Confident82.4Confident47 Ų4750.1 Ų50.133%0.32929%0.289SS..Hα-helixtrans-57.6-46.6173.8-61.50000111.3D77 K82 N83 E84D77-S80 PolarHBondContact O-N 3.1Å; D77-S80 VanDerWaalsContact OD2-CB 3.25Å; D77-S80 WeakPolarHBondContact OD2-CB 3.49Å; D77-S80 PolarHBondContact OD2-N 2.8Å; D77-S80 PolarHBondContact OD2-OG 3.38Å; S80-K82 VanDerWaalsContact C-N 3.35Å; S80-K82 PolarHBondContact O-N 3.46Å; S80-N83 PolarHBondContact O-N 2.98Å; S80-E84 PolarHBondContact O-N 3.04Å; S80-E84 VanDerWaalsContact O-N 3.09Å
81L89.1Confident83Confident0 Ų052 Ų520%030%0.3CS..Hα-helixtrans-67.4-33.4177.6-171.864.2000112.9M58 V61 I62 V71 L73 V76 D77 N79 E84 A85 L97M58-L81 HydrophobicContact SD-CB 4.46Å; M58-L81 HydrophobicContact SD-CD1 4.47Å; V61-L81 HydrophobicContact CB-CD1 3.82Å; V61-L81 HydrophobicContact CG1-CD1 3.78Å; V61-L81 HydrophobicContact CG1-CD2 3.76Å; V61-L81 HydrophobicContact CG1-CG 4.45Å; I62-L81 HydrophobicContact CD1-CD1 3.8Å; I62-L81 HydrophobicContact CG1-CD1 4.27Å; V71-L81 HydrophobicContact CG1-CD2 3.83Å; L73-L81 HydrophobicContact CD2-CD2 3.89Å; V76-L81 HydrophobicContact CG1-CB 4.05Å; V76-L81 HydrophobicContact CG1-CD2 4.14Å; D77-L81 WeakPolarHBondContact O-CB 3.42Å; D77-L81 PolarHBondContact O-N 2.69Å; N79-L81 VanDerWaalsContact C-N 3.34Å; N79-L81 PolarHBondContact O-N 3.38Å; L81-E84 PolarHBondContact O-N 3.05Å; L81-A85 VanDerWaalsContact O-CB 3.27Å; L81-A85 WeakPolarHBondContact O-CB 3.38Å; L81-A85 PolarHBondContact O-N 3.01Å; L81-L97 HydrophobicContact CB-CD1 4.25Å; L81-L97 HydrophobicContact CD2-CD1 4.19Å; L81-L97 HydrophobicContact CD2-CD2 3.88Å; L81-L97 HydrophobicContact CG-CD1 3.86Å; L81-L97 HydrophobicContact CG-CD2 4.42Å
82K87.1Confident83.2Confident37 Ų3753.5 Ų53.516%0.16131%0.312CS..Hα-helixtrans-66.9-38.3174.6178.6-179.3175-174.40111.3I78 N79 S80 A85 Q86 L97 S98 E101I78-K82 WeakPolarHBondContact O-CB 3.46Å; I78-K82 PolarHBondContact O-N 2.79Å; N79-K82 WeakPolarHBondContact O-CB 3.46Å; N79-K82 PolarHBondContact O-N 3.18Å; S80-K82 VanDerWaalsContact C-N 3.35Å; S80-K82 PolarHBondContact O-N 3.46Å; K82-A85 PolarHBondContact O-N 3.48Å; K82-Q86 WeakPolarHBondContact O-CG 3.26Å; K82-Q86 PolarHBondContact O-N 3.11Å; K82-L97 HydrophobicContact CB-CB 4.25Å; K82-L97 HydrophobicContact CB-CD1 4.13Å; K82-S98 WeakPolarHBondContact CE-OG 3.34Å; K82-E101 VanDerWaalsContact CD-OE2 3.31Å; K82-E101 WeakPolarHBondContact CD-OE2 3.27Å; K82-E101 WeakPolarHBondContact CE-OE2 3.35Å; K82-E101 VanDerWaalsContact NZ-CD 3.26Å; K82-E101 IonicContact NZ-OE1 3.81Å; K82-E101 PolarHBondContact NZ-OE1 3.27Å; K82-E101 VanDerWaalsContact NZ-OE1 3.16Å; K82-E101 IonicContact NZ-OE2 3.34Å; K82-E101 PolarHBondContact NZ-OE2 3.1Å
83N89Confident83.6Confident89 Ų8947.7 Ų47.748%0.47628%0.281SS..Hα-helixtrans-65.9-44.3174.4-66.8-24.3000111.9N79 S80 Q86 F87N79-N83 PolarHBondContact O-N 2.94Å; N79-N83 PolarHBondContact O-ND2 2.79Å; S80-N83 PolarHBondContact O-N 2.98Å; N83-Q86 PolarHBondContact O-N 2.82Å; N83-F87 PolarHBondContact O-N 3.17Å
84E91.1Very high84Confident16 Ų1646.5 Ų46.58%0.07528%0.275CS..Hα-helixtrans-64.8-41.3172.8-67.1-51.1138.900112.2R54 M58 I62 S80 L81 Q86 F87 Y88R54-E84 IonicContact CZ-OE1 3.31Å; R54-E84 VanDerWaalsContact CZ-OE1 3.3Å; R54-E84 IonicContact CZ-OE2 2.84Å; R54-E84 IonicContact NE-OE1 3.65Å; R54-E84 PolarHBondContact NE-OE1 3.32Å; R54-E84 IonicContact NE-OE2 3.01Å; R54-E84 PolarHBondContact NE-OE2 2.82Å; R54-E84 IonicContact NH2-OE1 2.78Å; R54-E84 PolarHBondContact NH2-OE1 3.24Å; R54-E84 IonicContact NH2-OE2 3.83Å; R54-E84 PolarHBondContact NH2-OE2 2.87Å; M58-E84 HydrophobicContact CB-CG 3.75Å; M58-E84 HydrophobicContact CG-CG 4.37Å; I62-E84 HydrophobicContact CD1-CB 4.19Å; I62-E84 HydrophobicContact CG1-CB 4.23Å; S80-E84 PolarHBondContact O-N 3.04Å; S80-E84 VanDerWaalsContact O-N 3.09Å; L81-E84 PolarHBondContact O-N 3.05Å; E84-Q86 PolarHBondContact O-N 3.25Å; E84-F87 PolarHBondContact O-N 3.36Å; E84-F87 VanDerWaalsContact O-N 3.12Å; E84-Y88 HydrophobicContact CB-CD2 4.42Å; E84-Y88 HydrophobicContact CB-CE2 4.36Å; E84-Y88 WeakPolarHBondContact O-CD2 3.18Å; E84-Y88 PolarHBondContact O-N 2.98Å
85A89.6Confident84.2Confident0 Ų046.9 Ų46.90%027%0.27CS..Hα-helixtrans-60.8-34.1176.400000112.4I62 L81 K82 A89 L90 L93 V94 L97I62-A85 HydrophobicContact CD1-CB 4.22Å; L81-A85 VanDerWaalsContact O-CB 3.27Å; L81-A85 WeakPolarHBondContact O-CB 3.38Å; L81-A85 PolarHBondContact O-N 3.01Å; K82-A85 PolarHBondContact O-N 3.48Å; A85-A89 PolarHBondContact O-N 2.73Å; A85-L90 PolarHBondContact O-N 2.7Å; A85-L93 HydrophobicContact CB-CB 4.09Å; A85-L93 HydrophobicContact CB-CD2 3.69Å; A85-L93 HydrophobicContact CB-CG 3.7Å; A85-V94 VanDerWaalsContact C-CG2 3.43Å; A85-V94 HydrophobicContact CB-CG2 3.63Å; A85-L97 HydrophobicContact CB-CD1 4.05Å
86Q89.7Confident84.2Confident74 Ų7444.5 Ų44.535%0.34624%0.235SC..Hα-helixtrans-69.3-46171-73.5177.31300111.8K82 N83 E84 Y88 A89 V94K82-Q86 WeakPolarHBondContact O-CG 3.26Å; K82-Q86 PolarHBondContact O-N 3.11Å; N83-Q86 PolarHBondContact O-N 2.82Å; E84-Q86 PolarHBondContact O-N 3.25Å; Q86-Y88 VanDerWaalsContact C-N 3.3Å; Q86-Y88 PolarHBondContact O-N 3Å; Q86-A89 PolarHBondContact O-N 2.66Å; Q86-V94 HydrophobicContact CB-CG2 4.34Å; Q86-V94 HydrophobicContact CG-CB 4.42Å; Q86-V94 HydrophobicContact CG-CG1 3.83Å; Q86-V94 HydrophobicContact CG-CG2 3.61Å
87F90.7Very high84.3Confident83 Ų8343 Ų4336%0.36423%0.226SC..Hα-helixtrans-55.9-43.4177.3175.7-92.7000112.4F31 I52 R54 N83 E84 A89F31-F87 HydrophobicContact CE2-CZ 4.41Å; F31-F87 HydrophobicContact CZ-CE1 4.43Å; I52-F87 HydrophobicContact CG2-CE1 4.25Å; R54-F87 HydrophobicContact CG-CD1 3.7Å; R54-F87 HydrophobicContact CG-CE1 3.4Å; R54-F87 VanDerWaalsContact CG-CE1 3.4Å; R54-F87 HydrophobicContact CG-CE2 4.47Å; R54-F87 HydrophobicContact CG-CG 4.38Å; R54-F87 HydrophobicContact CG-CZ 3.83Å; N83-F87 PolarHBondContact O-N 3.17Å; E84-F87 PolarHBondContact O-N 3.36Å; E84-F87 VanDerWaalsContact O-N 3.12Å; F87-A89 PolarHBondContact O-N 2.84Å
88Y91.1Very high84Confident0 Ų041 Ų410%022%0.217CC..THydrogen-bonded Turntrans-79.85.1178.1-66.1-63.8000114.5F31 F32 I52 R54 F59 I62 E84 Q86 L90F31-Y88 VanDerWaalsContact CB-O 3.28Å; F31-Y88 WeakPolarHBondContact CB-O 3.19Å; F31-Y88 AromaticContact CD1-CD1 3.82Å; F31-Y88 HydrophobicContact CD1-CD1 3.82Å; F31-Y88 HydrophobicContact CD1-CE1 4.32Å; F31-Y88 HydrophobicContact CE1-CD1 4.31Å; F31-Y88 HydrophobicContact CE1-CE1 4.36Å; F31-Y88 HydrophobicContact CG-CD1 4.35Å; F31-Y88 PolarHBondContact N-O 3.1Å; F32-Y88 AromaticContact CE1-CD1 3.77Å; F32-Y88 HydrophobicContact CE1-CD1 3.77Å; F32-Y88 HydrophobicContact CE1-CE1 4.01Å; F32-Y88 AromaticContact CE2-CD1 3.98Å; F32-Y88 HydrophobicContact CE2-CD1 3.98Å; F32-Y88 HydrophobicContact CE2-CG 4.13Å; F32-Y88 AromaticContact CZ-CD1 3.24Å; F32-Y88 HydrophobicContact CZ-CD1 3.24Å; F32-Y88 AromaticContact CZ-CE1 3.78Å; F32-Y88 HydrophobicContact CZ-CE1 3.78Å; F32-Y88 AromaticContact CZ-CG 3.71Å; F32-Y88 HydrophobicContact CZ-CG 3.71Å; I52-Y88 HydrophobicContact CG2-CE1 4.11Å; R54-Y88 WeakPolarHBondContact CB-OH 3.44Å; F59-Y88 HydrophobicContact CD2-CE1 4.17Å; F59-Y88 AromaticContact CD2-CE2 3.83Å; F59-Y88 HydrophobicContact CD2-CE2 3.83Å; F59-Y88 AromaticContact CD2-CZ 3.53Å; F59-Y88 WeakPolarHBondContact CD2-OH 3.43Å; F59-Y88 HydrophobicContact CE2-CE1 4.28Å; I62-Y88 HydrophobicContact CG1-CD2 4.06Å; I62-Y88 HydrophobicContact CG1-CE2 4.23Å; I62-Y88 HydrophobicContact CG2-CD2 3.93Å; I62-Y88 HydrophobicContact CG2-CE2 4.44Å; I62-Y88 HydrophobicContact CG2-CG 4.42Å; E84-Y88 HydrophobicContact CB-CD2 4.42Å; E84-Y88 HydrophobicContact CB-CE2 4.36Å; E84-Y88 WeakPolarHBondContact O-CD2 3.18Å; E84-Y88 PolarHBondContact O-N 2.98Å; Q86-Y88 VanDerWaalsContact C-N 3.3Å; Q86-Y88 PolarHBondContact O-N 3Å; Y88-L90 VanDerWaalsContact C-N 3.3Å; Y88-L90 PolarHBondContact O-N 3.09Å
89A88.3Confident83.1Confident32 Ų3242.1 Ų42.126%0.26422%0.223SC..THydrogen-bonded Turntrans5047.3-174.200000112.9N27 S30 A85 Q86 F87 D91N27-A89 PolarHBondContact ND2-O 3.17Å; S30-A89 WeakPolarHBondContact CA-O 3.49Å; A85-A89 PolarHBondContact O-N 2.73Å; Q86-A89 PolarHBondContact O-N 2.66Å; F87-A89 PolarHBondContact O-N 2.84Å; A89-D91 PolarHBondContact O-N 2.8Å
90L86.7Confident82Confident0 Ų040 Ų400%021%0.214CC..  trans-9964.7178.5-61.1-179000110.4N27 F32 I62 L66 A85 Y88 S92 L93 V94N27-L90 HydrophobicContact CB-CD2 4.32Å; F32-L90 HydrophobicContact CE2-CD1 4.46Å; F32-L90 HydrophobicContact CE2-CD2 4.4Å; I62-L90 HydrophobicContact CG2-CD1 3.48Å; I62-L90 VanDerWaalsContact CG2-CD1 3.48Å; L66-L90 HydrophobicContact CD1-CD1 4.49Å; L66-L90 HydrophobicContact CD2-CD1 4.29Å; L66-L90 HydrophobicContact CD2-CD2 3.99Å; L66-L90 HydrophobicContact CG-CD1 4.41Å; A85-L90 PolarHBondContact O-N 2.7Å; Y88-L90 VanDerWaalsContact C-N 3.3Å; Y88-L90 PolarHBondContact O-N 3.09Å; L90-S92 PolarHBondContact O-N 2.67Å; L90-L93 HydrophobicContact CB-CB 3.99Å; L90-L93 HydrophobicContact CD1-CD2 4.39Å; L90-L93 WeakPolarHBondContact O-CA 3.41Å; L90-L93 WeakPolarHBondContact O-CB 3.47Å; L90-L93 PolarHBondContact O-N 3.42Å; L90-V94 PolarHBondContact O-N 2.89Å
91D80.5Confident80.9Confident88 Ų8841.2 Ų41.247%0.47121%0.214SC..Hα-helixtrans-48.9-36.4-177.8-55.9-30.2000113.7A89 L93 V94 K95A89-D91 PolarHBondContact O-N 2.8Å; D91-L93 VanDerWaalsContact C-N 3.3Å; D91-L93 PolarHBondContact O-N 2.79Å; D91-V94 PolarHBondContact O-N 3.38Å; D91-K95 WeakPolarHBondContact O-CB 3.45Å; D91-K95 WeakPolarHBondContact O-CG 3.36Å; D91-K95 PolarHBondContact O-N 3.21Å
92S76.3Confident79.2Confident55 Ų5545.2 Ų45.239%0.38523%0.233SC..Hα-helixtrans-66.6-28.8177.157.20000113.4Y65 L90Y65-S92 WeakPolarHBondContact OH-CB 3.45Å; Y65-S92 PolarHBondContact OH-OG 3.29Å; L90-S92 PolarHBondContact O-N 2.67Å
93L81.3Confident77.2Confident1 Ų145.9 Ų45.91%0.00524%0.239CC..Hα-helixtrans-84.2-44.7172.7-178.956000111I62 Y65 V71 A85 L90 D91 K95 K96 L97I62-L93 HydrophobicContact CD1-CD2 3.47Å; I62-L93 VanDerWaalsContact CD1-CD2 3.47Å; Y65-L93 HydrophobicContact CD1-CB 4.12Å; Y65-L93 HydrophobicContact CD1-CD1 4.41Å; Y65-L93 HydrophobicContact CD1-CD2 3.88Å; Y65-L93 HydrophobicContact CD1-CG 4.37Å; Y65-L93 HydrophobicContact CD2-CD1 4.02Å; Y65-L93 HydrophobicContact CE1-CB 3.68Å; Y65-L93 HydrophobicContact CE1-CD2 4.31Å; Y65-L93 HydrophobicContact CE1-CG 4.39Å; Y65-L93 HydrophobicContact CE2-CB 4.44Å; Y65-L93 HydrophobicContact CE2-CD1 4.11Å; Y65-L93 HydrophobicContact CG-CD1 4.14Å; Y65-L93 HydrophobicContact CG-CD2 4.13Å; Y65-L93 PolarHBondContact OH-N 2.69Å; V71-L93 HydrophobicContact CG1-CD1 4.41Å; V71-L93 HydrophobicContact CG2-CD1 3.43Å; V71-L93 VanDerWaalsContact CG2-CD1 3.43Å; A85-L93 HydrophobicContact CB-CB 4.09Å; A85-L93 HydrophobicContact CB-CD2 3.69Å; A85-L93 HydrophobicContact CB-CG 3.7Å; L90-L93 HydrophobicContact CB-CB 3.99Å; L90-L93 HydrophobicContact CD1-CD2 4.39Å; L90-L93 WeakPolarHBondContact O-CA 3.41Å; L90-L93 WeakPolarHBondContact O-CB 3.47Å; L90-L93 PolarHBondContact O-N 3.42Å; D91-L93 VanDerWaalsContact C-N 3.3Å; D91-L93 PolarHBondContact O-N 2.79Å; L93-K95 VanDerWaalsContact C-N 3.29Å; L93-K95 PolarHBondContact O-N 2.74Å; L93-K96 CarbonylContact O-C 3.57Å; L93-K96 WeakPolarHBondContact O-CA 3.02Å; L93-K96 WeakPolarHBondContact O-CB 3.35Å; L93-K96 PolarHBondContact O-N 3.42Å; L93-L97 HydrophobicContact CD1-CD1 3.94Å; L93-L97 HydrophobicContact CD1-CD2 4.36Å; L93-L97 HydrophobicContact CD1-CG 3.92Å; L93-L97 HydrophobicContact CD2-CD1 4.49Å; L93-L97 HydrophobicContact CG-CD1 3.8Å; L93-L97 HydrophobicContact CG-CG 4.24Å; L93-L97 WeakPolarHBondContact O-CG 3.33Å; L93-L97 PolarHBondContact O-N 3.26Å
94V83.3Confident75Confident22 Ų2247.1 Ų47.113%0.13324%0.244CC..Hα-helixtrans-55.5-45.7177-179.60000110.6A85 Q86 L90 D91 K96 L97 S98A85-V94 VanDerWaalsContact C-CG2 3.43Å; A85-V94 HydrophobicContact CB-CG2 3.63Å; Q86-V94 HydrophobicContact CB-CG2 4.34Å; Q86-V94 HydrophobicContact CG-CB 4.42Å; Q86-V94 HydrophobicContact CG-CG1 3.83Å; Q86-V94 HydrophobicContact CG-CG2 3.61Å; L90-V94 PolarHBondContact O-N 2.89Å; D91-V94 PolarHBondContact O-N 3.38Å; V94-K96 PolarHBondContact O-N 2.89Å; V94-L97 PolarHBondContact O-N 2.86Å; V94-S98 PolarHBondContact O-N 2.59Å; V94-S98 PolarHBondContact O-OG 3.27Å; V94-S98 VanDerWaalsContact O-OG 3.08Å
95K74.7Confident72.5Confident146 Ų14654.5 Ų54.564%0.63528%0.283SS*.Hα-helixtrans-60.5-43.8173.5-72.3169.6-177178.20112.3D91 L93 L97 L99D91-K95 WeakPolarHBondContact O-CB 3.45Å; D91-K95 WeakPolarHBondContact O-CG 3.36Å; D91-K95 PolarHBondContact O-N 3.21Å; L93-K95 VanDerWaalsContact C-N 3.29Å; L93-K95 PolarHBondContact O-N 2.74Å; K95-L97 VanDerWaalsContact C-N 3.33Å; K95-L97 PolarHBondContact O-N 2.8Å; K95-L99 VanDerWaalsContact O-CG 3.31Å; K95-L99 WeakPolarHBondContact O-CG 3.35Å; K95-L99 PolarHBondContact O-N 3.08Å
96K69.4Low69.7Low39 Ų3956.2 Ų56.217%0.1730%0.301CS..Hα-helixtrans-62.9-39.2178.8-158.1-173.5-176.4-173.20111.9V71 L93 V94 C100 L112V71-K96 HydrophobicContact CG2-CD 4.08Å; L93-K96 CarbonylContact O-C 3.57Å; L93-K96 WeakPolarHBondContact O-CA 3.02Å; L93-K96 WeakPolarHBondContact O-CB 3.35Å; L93-K96 PolarHBondContact O-N 3.42Å; V94-K96 PolarHBondContact O-N 2.89Å; K96-C100 PolarHBondContact O-N 2.73Å; K96-C100 VanDerWaalsContact O-N 3.13Å; K96-C100 PolarHBondContact O-SG 3.36Å; K96-L112 HydrophobicContact CD-CD1 4.35Å; K96-L112 HydrophobicContact CG-CD1 3.64Å
97L78.9Confident67.3Low1 Ų161.7 Ų61.71%0.00532%0.324CS..Hα-helixtrans-73.4-42.7-179.9-65.7171.1000112.2V71 L73 I78 L81 K82 A85 L93 V94 K95 L99 C100 E101V71-L97 HydrophobicContact CG1-CD2 4.44Å; L73-L97 HydrophobicContact CD2-CD2 3.65Å; I78-L97 HydrophobicContact CG2-CB 4.26Å; I78-L97 HydrophobicContact CG2-CD2 4.42Å; L81-L97 HydrophobicContact CB-CD1 4.25Å; L81-L97 HydrophobicContact CD2-CD1 4.19Å; L81-L97 HydrophobicContact CD2-CD2 3.88Å; L81-L97 HydrophobicContact CG-CD1 3.86Å; L81-L97 HydrophobicContact CG-CD2 4.42Å; K82-L97 HydrophobicContact CB-CB 4.25Å; K82-L97 HydrophobicContact CB-CD1 4.13Å; A85-L97 HydrophobicContact CB-CD1 4.05Å; L93-L97 HydrophobicContact CD1-CD1 3.94Å; L93-L97 HydrophobicContact CD1-CD2 4.36Å; L93-L97 HydrophobicContact CD1-CG 3.92Å; L93-L97 HydrophobicContact CD2-CD1 4.49Å; L93-L97 HydrophobicContact CG-CD1 3.8Å; L93-L97 HydrophobicContact CG-CG 4.24Å; L93-L97 WeakPolarHBondContact O-CG 3.33Å; L93-L97 PolarHBondContact O-N 3.26Å; V94-L97 PolarHBondContact O-N 2.86Å; K95-L97 VanDerWaalsContact C-N 3.33Å; K95-L97 PolarHBondContact O-N 2.8Å; L97-L99 VanDerWaalsContact C-N 3.28Å; L97-L99 PolarHBondContact O-N 3.16Å; L97-C100 WeakPolarHBondContact O-CA 3.27Å; L97-C100 WeakPolarHBondContact O-CB 3.28Å; L97-C100 PolarHBondContact O-N 2.94Å; L97-E101 PolarHBondContact O-N 3.22Å
98S74.2Confident64.9Low31 Ų3159.2 Ų59.222%0.21732%0.317CS..Hα-helixtrans-59.2-40.2172.6-57.70000111.8K82 V94 C100 E101 E102K82-S98 WeakPolarHBondContact CE-OG 3.34Å; V94-S98 PolarHBondContact O-N 2.59Å; V94-S98 PolarHBondContact O-OG 3.27Å; V94-S98 VanDerWaalsContact O-OG 3.08Å; S98-C100 VanDerWaalsContact C-N 3.33Å; S98-C100 PolarHBondContact O-N 2.95Å; S98-E101 WeakPolarHBondContact O-CB 3.31Å; S98-E101 PolarHBondContact O-N 3.33Å; S98-E102 PolarHBondContact O-N 3.06Å
99L64.1Low62.9Low48 Ų4860.5 Ų60.525%0.25133%0.33SS..Hα-helixtrans-62.5-37172.7-73.4166.5000112.2K95 L97 N103K95-L99 VanDerWaalsContact O-CG 3.31Å; K95-L99 WeakPolarHBondContact O-CG 3.35Å; K95-L99 PolarHBondContact O-N 3.08Å; L97-L99 VanDerWaalsContact C-N 3.28Å; L97-L99 PolarHBondContact O-N 3.16Å; L99-N103 VanDerWaalsContact O-CB 3.32Å; L99-N103 WeakPolarHBondContact O-CB 3.45Å; L99-N103 PolarHBondContact O-N 2.75Å; L99-N103 VanDerWaalsContact O-N 3.1Å; L99-N103 PolarHBondContact O-ND2 2.97Å
100C61.9Low61.2Low30 Ų3062.9 Ų62.920%0.20334%0.338CS..Hα-helixtrans-68.7-35.8175-69.30000112.9L73 I78 K96 L97 S98 L104L73-C100 HydrophobicContact CD1-CB 4.02Å; I78-C100 HydrophobicContact CD1-CB 4.38Å; K96-C100 PolarHBondContact O-N 2.73Å; K96-C100 VanDerWaalsContact O-N 3.13Å; K96-C100 PolarHBondContact O-SG 3.36Å; L97-C100 WeakPolarHBondContact O-CA 3.27Å; L97-C100 WeakPolarHBondContact O-CB 3.28Å; L97-C100 PolarHBondContact O-N 2.94Å; S98-C100 VanDerWaalsContact C-N 3.33Å; S98-C100 PolarHBondContact O-N 2.95Å; C100-L104 PolarHBondContact O-N 3.06Å
101E61.7Low60.2Low73 Ų7363.1 Ų63.134%0.34134%0.339SS..Hα-helixtrans-65.6-44.5177.8-168.5179.9151.100111.7I78 K82 L97 S98I78-E101 HydrophobicContact CG2-CB 4.34Å; K82-E101 VanDerWaalsContact CD-OE2 3.31Å; K82-E101 WeakPolarHBondContact CD-OE2 3.27Å; K82-E101 WeakPolarHBondContact CE-OE2 3.35Å; K82-E101 VanDerWaalsContact NZ-CD 3.26Å; K82-E101 IonicContact NZ-OE1 3.81Å; K82-E101 PolarHBondContact NZ-OE1 3.27Å; K82-E101 VanDerWaalsContact NZ-OE1 3.16Å; K82-E101 IonicContact NZ-OE2 3.34Å; K82-E101 PolarHBondContact NZ-OE2 3.1Å; L97-E101 PolarHBondContact O-N 3.22Å; S98-E101 WeakPolarHBondContact O-CB 3.31Å; S98-E101 PolarHBondContact O-N 3.33Å
102E52.8Low59.6Low84 Ų8460 Ų6039%0.39332%0.322SS..Hα-helixtrans-67.2-40.9174.8-69.9168.5-164.800112.3S98 L104 L105 G106S98-E102 PolarHBondContact O-N 3.06Å; E102-L104 VanDerWaalsContact C-N 3.29Å; E102-L104 PolarHBondContact O-N 3.45Å; E102-L105 PolarHBondContact O-N 3.45Å; E102-G106 PolarHBondContact O-N 2.98Å
103N45.4Very low59.5Low52 Ų5258.9 Ų58.928%0.27831%0.311SS..Hα-helixtrans-73.7-14.1-176.5-81.5-69.9000114.7L99 L105 C108L99-N103 VanDerWaalsContact O-CB 3.32Å; L99-N103 WeakPolarHBondContact O-CB 3.45Å; L99-N103 PolarHBondContact O-N 2.75Å; L99-N103 VanDerWaalsContact O-N 3.1Å; L99-N103 PolarHBondContact O-ND2 2.97Å; N103-L105 PolarHBondContact O-N 3.39Å; N103-C108 WeakPolarHBondContact OD1-CB 3.45Å
104L43.6Very low59.1Low114 Ų11461.7 Ų61.760%0.59732%0.324SS*.THydrogen-bonded Turntrans-71.8-11.6171.2-84162000113.5I78 C100 E102I78-L104 HydrophobicContact CD1-CD1 3.57Å; C100-L104 PolarHBondContact O-N 3.06Å; E102-L104 VanDerWaalsContact C-N 3.29Å; E102-L104 PolarHBondContact O-N 3.45Å
105L39.4Very low58.8Low171 Ų17161.6 Ų61.690%0.89533%0.325SS*.THydrogen-bonded Turntrans-131.7-13179.8-130.472.7000114.9E102 N103E102-L105 PolarHBondContact O-N 3.45Å; N103-L105 PolarHBondContact O-N 3.39Å
106G30.6Very low59.1Low36 Ų3656.6 Ų56.637%0.37130%0.302SS..SBendtrans-133.876.1-159.900000118.8E102 C108E102-G106 PolarHBondContact O-N 2.98Å; G106-C108 VanDerWaalsContact C-N 3.33Å; G106-C108 PolarHBondContact O-N 2.89Å
107K39.3Very low59.9Low189 Ų18954.8 Ų54.882%0.82230%0.295SS*.SBendtrans54.80.8144.5-65.6-171.1176-177.10122.5
108C40Very low59.9Low32 Ų3257.4 Ų57.422%0.21631%0.312CS..SBendtrans-87.5-12.7174.9-78.40000115N103 G106 W1104N103-C108 WeakPolarHBondContact OD1-CB 3.45Å; G106-C108 VanDerWaalsContact C-N 3.33Å; G106-C108 PolarHBondContact O-N 2.89Å; C108-W1104 HydrophobicContact CB-CZ3 4.5Å
109G48.6Very low60.2Low26 Ų2656.6 Ų56.627%0.26831%0.306SS..  trans90177179.500000113.7L111G109-L111 PolarHBondContact O-N 3.45Å
110D53.1Low60.8Low83 Ų8355 Ų5544%0.44430%0.299SS..SBendtrans-75.124.6-165.7-32.6-88.1000114.8C1060D110-C1060 HydrophobicContact CB-CB 3.91Å; D110-C1060 WeakPolarHBondContact OD2-CA 3.41Å; D110-C1060 WeakPolarHBondContact OD2-CB 3.32Å
111L66Low60.8Low4 Ų460 Ų602%0.02132%0.319CS..SBendtrans-125136-171.6-75.3167.6000110.9G109 F113 C1060 I1062 W1104 D1105 L1106 A1109G109-L111 PolarHBondContact O-N 3.45Å; L111-F113 PolarHBondContact O-N 2.9Å; L111-C1060 HydrophobicContact CD1-CB 4.29Å; L111-C1060 VanDerWaalsContact CD1-SG 3.55Å; L111-C1060 HydrophobicContact CG-CB 4.13Å; L111-I1062 HydrophobicContact CD1-CD1 3.89Å; L111-I1062 HydrophobicContact CD1-CG1 3.26Å; L111-W1104 HydrophobicContact CB-CE3 4.39Å; L111-D1105 VanDerWaalsContact CD2-O 3.23Å; L111-D1105 WeakPolarHBondContact CD2-O 3.31Å; L111-L1106 HydrophobicContact CD2-CB 4.36Å; L111-L1106 HydrophobicContact CD2-CD1 4.03Å; L111-A1109 HydrophobicContact CD2-CB 3.53Å; L111-A1109 HydrophobicContact CG-CB 4.23Å
112L66.6Low60.6Low23 Ų2358.2 Ų58.212%0.1231%0.31CS..EExtended strand (participates in β ladder)trans-77.1114.7178.1-174.7130.8000110.3K96 H114 D1105K96-L112 HydrophobicContact CD-CD1 4.35Å; K96-L112 HydrophobicContact CG-CD1 3.64Å; L112-H114 PolarHBondContact O-N 3.35Å; L112-D1105 HydrophobicContact CB-CB 4.25Å; L112-D1105 HydrophobicContact CD2-CB 4.34Å; L112-D1105 PolarHBondContact O-N 3.07Å
113F73.8Confident60.2Low31 Ų3158.7 Ų58.714%0.13631%0.314CS..EExtended strand (participates in β ladder)trans-62.1130.6171.5-173.5-106.8000110.4L111 A115 Y116 V1065 Q1102 W1104L111-F113 PolarHBondContact O-N 2.9Å; F113-A115 VanDerWaalsContact CZ-C 3.43Å; F113-A115 VanDerWaalsContact CZ-O 3.23Å; F113-A115 WeakPolarHBondContact CZ-O 3.22Å; F113-Y116 HydrophobicContact CZ-CD2 4.28Å; F113-V1065 HydrophobicContact CD2-CG2 3.74Å; F113-V1065 HydrophobicContact CE2-CG2 3.5Å; F113-V1065 HydrophobicContact CG-CG2 4.39Å; F113-V1065 HydrophobicContact CZ-CG2 4Å; F113-Q1102 HydrophobicContact CE2-CB 3.99Å; F113-Q1102 HydrophobicContact CE2-CG 4.29Å; F113-W1104 HydrophobicContact CB-CE3 4.35Å; F113-W1104 HydrophobicContact CB-CZ3 4.17Å; F113-W1104 HydrophobicContact CD2-CD2 4.13Å; F113-W1104 AromaticContact CD2-CE3 3.93Å; F113-W1104 HydrophobicContact CD2-CE3 3.93Å; F113-W1104 AromaticContact CD2-CH2 3.72Å; F113-W1104 HydrophobicContact CD2-CH2 3.72Å; F113-W1104 AromaticContact CD2-CZ2 3.93Å; F113-W1104 HydrophobicContact CD2-CZ2 3.93Å; F113-W1104 AromaticContact CD2-CZ3 3.73Å; F113-W1104 HydrophobicContact CD2-CZ3 3.73Å; F113-W1104 HydrophobicContact CE2-CH2 4.28Å; F113-W1104 HydrophobicContact CE2-CZ2 4.13Å; F113-W1104 HydrophobicContact CG-CZ3 4.42Å
114H73.2Confident59.9Low61 Ų6161.8 Ų61.828%0.28233%0.331SS..EExtended strand (participates in β ladder)trans-114.3-39.6-168.1-174.279.4000113.5L112 Y1091 V1103L112-H114 PolarHBondContact O-N 3.35Å; H114-Y1091 AromaticContact CD2-CE1 3.98Å; H114-Y1091 AromaticContact CE1-CE1 3.84Å; H114-Y1091 AromaticContact CE1-CZ 3.91Å; H114-Y1091 PolarHBondContact CE1-OH 3.48Å; H114-Y1091 AromaticContact CG-CE1 3.85Å; H114-Y1091 AromaticContact ND1-CE1 3.76Å; H114-Y1091 AromaticContact NE2-CE1 3.97Å; H114-Y1091 AromaticContact NE2-CZ 3.97Å; H114-V1103 HydrophobicContact CB-CB 4.24Å; H114-V1103 HydrophobicContact CB-CG1 4.19Å; H114-V1103 WeakPolarHBondContact CB-O 3.38Å; H114-V1103 PolarHBondContact N-O 2.96Å
115A76.9Confident59.7Low20 Ų2059.8 Ų59.817%0.16532%0.32CS..EExtended strand (participates in β ladder)trans-160.4146.6177.700000113.1F113 Q1102 V1103F113-A115 VanDerWaalsContact CZ-C 3.43Å; F113-A115 VanDerWaalsContact CZ-O 3.23Å; F113-A115 WeakPolarHBondContact CZ-O 3.22Å; A115-Q1102 WeakPolarHBondContact O-CA 3.15Å; A115-V1103 HydrophobicContact CB-CB 4.12Å; A115-V1103 HydrophobicContact CB-CG2 3.98Å; A115-V1103 PolarHBondContact N-O 2.86Å; A115-V1103 PolarHBondContact O-N 2.97Å
116Y81.6Confident59.5Low40 Ų4061.3 Ų61.316%0.15732%0.323CS..EExtended strand (participates in β ladder)trans-110.8126165.4-167.9-93.8000108.6F113 Y488 D1066 T1100 Q1102F113-Y116 HydrophobicContact CZ-CD2 4.28Å; Y116-Y488 HydrophobicContact CD1-CD1 4.11Å; Y116-Y488 HydrophobicContact CD1-CD2 4.07Å; Y116-Y488 AromaticContact CD1-CE1 3.98Å; Y116-Y488 HydrophobicContact CD1-CE1 3.98Å; Y116-Y488 AromaticContact CD1-CE2 3.93Å; Y116-Y488 HydrophobicContact CD1-CE2 3.93Å; Y116-Y488 HydrophobicContact CD1-CG 4.15Å; Y116-Y488 AromaticContact CD1-CZ 3.89Å; Y116-Y488 HydrophobicContact CD2-CE1 4.35Å; Y116-Y488 HydrophobicContact CD2-CE2 4.48Å; Y116-Y488 AromaticContact CD2-CZ 3.94Å; Y116-Y488 HydrophobicContact CE1-CD2 4.07Å; Y116-Y488 AromaticContact CE1-CE2 3.87Å; Y116-Y488 HydrophobicContact CE1-CE2 3.87Å; Y116-Y488 HydrophobicContact CE2-CE2 4.44Å; Y116-Y488 HydrophobicContact CG-CD1 4.27Å; Y116-Y488 AromaticContact CG-CE1 3.75Å; Y116-Y488 HydrophobicContact CG-CE1 3.75Å; Y116-Y488 HydrophobicContact CG-CE2 4.23Å; Y116-Y488 AromaticContact CG-CZ 3.72Å; Y116-D1066 HydrophobicContact CE2-CB 4.47Å; Y116-D1066 PolarHBondContact OH-OD2 2.62Å; Y116-T1100 HydrophobicContact CE1-CG2 4.32Å; Y116-Q1102 HydrophobicContact CD2-CG 3.85Å; Y116-Q1102 HydrophobicContact CE2-CG 4.15Å
117M85.4Confident59.9Low2 Ų262.6 Ų62.61%0.0133%0.326CS..EExtended strand (participates in β ladder)trans-116.1116.2173.4-73.5168.7-84.900108.6M271 F282 W290 T1100 I1101 V1103M117-M271 HydrophobicContact CE-CE 3.71Å; M117-M271 HydrophobicContact SD-CE 3.7Å; M117-F282 HydrophobicContact CB-CE1 4.24Å; M117-F282 HydrophobicContact CG-CD1 4.36Å; M117-F282 HydrophobicContact CG-CE1 4.24Å; M117-F282 HydrophobicContact SD-CB 4.49Å; M117-F282 HydrophobicContact SD-CD1 3.54Å; M117-F282 VanDerWaalsContact SD-CD1 3.54Å; M117-F282 HydrophobicContact SD-CE1 3.83Å; M117-F282 HydrophobicContact SD-CG 4.07Å; M117-W290 HydrophobicContact CE-CB 4.08Å; M117-W290 HydrophobicContact CE-CG 4.22Å; M117-W290 HydrophobicContact CG-CB 4.29Å; M117-W290 HydrophobicContact SD-CB 3.59Å; M117-W290 VanDerWaalsContact SD-CB 3.59Å; M117-W290 HydrophobicContact SD-CG 4.26Å; M117-T1100 CarbonylContact O-C 3.59Å; M117-T1100 WeakPolarHBondContact O-CA 3.34Å; M117-I1101 HydrophobicContact CB-CB 4.19Å; M117-I1101 HydrophobicContact CE-CB 4.03Å; M117-I1101 HydrophobicContact CE-CG2 3.85Å; M117-I1101 PolarHBondContact N-O 3.4Å; M117-I1101 PolarHBondContact O-N 3.36Å; M117-V1103 HydrophobicContact CE-CG2 3.35Å
118P78.9Confident59.7Low56 Ų5656.4 Ų56.436%0.36432%0.316SS..PPolyproline II helixtrans-69.9157.8176.929.9-35.1000111.5L491P118-L491 HydrophobicContact CG-CD1 4.11Å; P118-L491 HydrophobicContact CG-CG 4.43Å
119S81.2Confident59.5Low13 Ų1364.2 Ų64.29%0.09135%0.346CS..PPolyproline II helixtrans-55.3135.4167.9174.20000110.1H258 G1099S119-H258 WeakPolarHBondContact CB-ND1 3.11Å; S119-H258 PolarHBondContact OG-ND1 2.95Å; S119-H258 VanDerWaalsContact OG-ND1 3.11Å; S119-G1099 WeakPolarHBondContact CA-O 3.37Å
120P76.3Confident58.8Low16 Ų1664.4 Ų64.410%0.10435%0.348CS..PPolyproline II helixtrans-57.1145167-23.334000111.7F122 Y275 L292P120-F122 HydrophobicContact CB-CE1 4.41Å; P120-F122 HydrophobicContact CB-CZ 4.35Å; P120-F122 WeakPolarHBondContact O-CD2 3.42Å; P120-F122 WeakPolarHBondContact O-CE2 3.39Å; P120-F122 PolarHBondContact O-N 2.92Å; P120-Y275 WeakPolarHBondContact CD-OH 3.32Å; P120-Y275 HydrophobicContact CG-CE2 4.25Å; P120-L292 HydrophobicContact CB-CD2 4.43Å; P120-L292 HydrophobicContact CG-CD2 4.24Å
121E62.8Low58.1Low133 Ų13363.2 Ų63.262%0.62134%0.339SS*.  trans-74.9113.4172.2-70173.9172.400110.1I123E121-I123 PolarHBondContact O-N 3.05Å
122F57.4Low56.6Low37 Ų3771.7 Ų71.716%0.16237%0.371CS..  trans-89.466.7-178.6-62.5-68.7000112.2P120 L124 F131 K259 Y275 C278 L295P120-F122 HydrophobicContact CB-CE1 4.41Å; P120-F122 HydrophobicContact CB-CZ 4.35Å; P120-F122 WeakPolarHBondContact O-CD2 3.42Å; P120-F122 WeakPolarHBondContact O-CE2 3.39Å; P120-F122 PolarHBondContact O-N 2.92Å; F122-L124 PolarHBondContact O-N 2.87Å; F122-F131 HydrophobicContact CB-CE1 4.29Å; F122-F131 AromaticContact CD1-CE1 3.89Å; F122-F131 HydrophobicContact CD1-CE1 3.89Å; F122-F131 AromaticContact CD1-CZ 3.98Å; F122-F131 HydrophobicContact CD1-CZ 3.98Å; F122-K259 HydrophobicContact CD2-CD 4.29Å; F122-K259 HydrophobicContact CE2-CB 4.25Å; F122-K259 HydrophobicContact CE2-CD 4.14Å; F122-K259 HydrophobicContact CE2-CG 4.44Å; F122-K259 HydrophobicContact CZ-CD 4.41Å; F122-Y275 HydrophobicContact CZ-CD1 4.22Å; F122-Y275 HydrophobicContact CZ-CD2 4.03Å; F122-Y275 HydrophobicContact CZ-CE2 4.37Å; F122-Y275 AromaticContact CZ-CG 3.97Å; F122-Y275 HydrophobicContact CZ-CG 3.97Å; F122-C278 VanDerWaalsContact CE1-SG 3.5Å; F122-L295 HydrophobicContact CD1-CD2 4.49Å; F122-L295 HydrophobicContact CE1-CD1 4.37Å; F122-L295 HydrophobicContact CE1-CD2 4.26Å
123I43.4Very low55.3Low93 Ų9375.5 Ų75.548%0.47738%0.384SS..  trans-71.9114.5174.2-55.4178.1000109.4E121E121-I123 PolarHBondContact O-N 3.05Å
124L39.3Very low53.2Low118 Ų11875.4 Ų75.462%0.61839%0.391SS*.BIsolated β-bridgetrans-80.8126.8169.5-64.2174.6000109.6F122 F131 I298F122-L124 PolarHBondContact O-N 2.87Å; L124-F131 HydrophobicContact CD2-CE1 4.36Å; L124-I298 HydrophobicContact CD2-CD1 4.09Å
125D39.4Very low51.1Low71 Ų7176 Ų7638%0.3841%0.406SS..  trans-72.2147.4165.8-179.567.2000111S127 G128 G130D125-S127 PolarHBondContact O-N 2.93Å; D125-S127 WeakPolarHBondContact OD2-CB 3.04Å; D125-S127 PolarHBondContact OD2-N 2.83Å; D125-S127 PolarHBondContact OD2-OG 2.3Å; D125-G128 PolarHBondContact O-N 2.84Å; D125-G130 WeakPolarHBondContact CB-O 3.23Å; D125-G130 PolarHBondContact N-O 2.95Å
126E36.8Very low48.7Very low203 Ų20382.3 Ų82.395%0.94944%0.437SS*.THydrogen-bonded Turntrans-59-19.5-176.8-66.3-171.914800113.5G128E126-G128 PolarHBondContact O-N 3.39Å
127S38Very low46.1Very low63 Ų6387.5 Ų87.544%0.44146%0.461SS..THydrogen-bonded Turntrans-67.7-11.9171.768.50000114.8D125 K129D125-S127 PolarHBondContact O-N 2.93Å; D125-S127 WeakPolarHBondContact OD2-CB 3.04Å; D125-S127 PolarHBondContact OD2-N 2.83Å; D125-S127 PolarHBondContact OD2-OG 2.3Å; S127-K129 WeakPolarHBondContact O-CG 3.25Å; S127-K129 PolarHBondContact O-N 2.9Å; S127-K129 PolarHBondContact OG-N 2.8Å
128G35.6Very low43.5Very low59 Ų5995 Ų9561%0.60850%0.501SS*.SBendtrans64.913-173.600000114.4D125 E126D125-G128 PolarHBondContact O-N 2.84Å; E126-G128 PolarHBondContact O-N 3.39Å
129K35.5Very low41.1Very low197 Ų19798.3 Ų98.386%0.85752%0.515SS*.SBendtrans-133.2-8.1-166.9-71.9170-175.1170.90115S127S127-K129 WeakPolarHBondContact O-CG 3.25Å; S127-K129 PolarHBondContact O-N 2.9Å; S127-K129 PolarHBondContact OG-N 2.8Å
130G33.4Very low38.6Very low29 Ų29106.5 Ų106.530%0.29955%0.552SS.*  trans-117.6127.6177.200000112.2D125D125-G130 WeakPolarHBondContact CB-O 3.23Å; D125-G130 PolarHBondContact N-O 2.95Å
131F39.3Very low36.2Very low59 Ų59111.9 Ų111.926%0.25959%0.588SS.*BIsolated β-bridgetrans-82.7130.9152.2-80.1-50.8000108.2F122 L124 C278 L295 S296 I298F122-F131 HydrophobicContact CB-CE1 4.29Å; F122-F131 AromaticContact CD1-CE1 3.89Å; F122-F131 HydrophobicContact CD1-CE1 3.89Å; F122-F131 AromaticContact CD1-CZ 3.98Å; F122-F131 HydrophobicContact CD1-CZ 3.98Å; L124-F131 HydrophobicContact CD2-CE1 4.36Å; F131-C278 HydrophobicContact CE2-CB 4.3Å; F131-L295 HydrophobicContact CD2-CD2 4.48Å; F131-S296 WeakPolarHBondContact CD2-O 3.38Å; F131-S296 WeakPolarHBondContact CE2-O 3.42Å; F131-I298 HydrophobicContact CD2-CG1 4.32Å; F131-I298 HydrophobicContact CE1-CD1 4.42Å; F131-I298 HydrophobicContact CE1-CG1 4.33Å; F131-I298 HydrophobicContact CE2-CD1 4.36Å; F131-I298 HydrophobicContact CE2-CG1 3.46Å; F131-I298 VanDerWaalsContact CE2-CG1 3.46Å; F131-I298 HydrophobicContact CZ-CD1 3.97Å; F131-I298 HydrophobicContact CZ-CG1 3.46Å; F131-I298 VanDerWaalsContact CZ-CG1 3.46Å
132R33.9Very low34.6Very low182 Ų182109.1 Ų109.169%0.68760%0.596SS**  trans-111.9123.1172.4-148.3178.3-160.7167.19.9109.6
133W40Very low33.1Very low103 Ų103114.3 Ų114.339%0.3963%0.625SS.*  trans-62.6142.2172.9-145.163000109.6A135 K493 I494W133-A135 PolarHBondContact O-N 2.65Å; W133-K493 HydrophobicContact CH2-CB 4.42Å; W133-I494 WeakPolarHBondContact CH2-O 3.28Å; W133-I494 VanDerWaalsContact CZ3-O 3.31Å; W133-I494 WeakPolarHBondContact CZ3-O 3.31Å
134G29Very low32.6Very low29 Ų29117.9 Ų117.930%0.29964%0.639SS.*  trans-69.950.4-177.900000115N136 K493G134-N136 VanDerWaalsContact C-N 3.35Å; G134-N136 PolarHBondContact O-N 3.33Å; G134-K493 PolarHBondContact O-NZ 3.06Å
135A28.4Very low32.3Very low72 Ų72116.9 Ų116.960%0.59564%0.643SS**  trans-83.380166.800000108.5W133 K137W133-A135 PolarHBondContact O-N 2.65Å; A135-K137 PolarHBondContact O-N 3.46Å
136N27.2Very low32Very low153 Ų153119.1 Ų119.182%0.81866%0.664SS**  trans-60135174.8-1592000109.4G134 D138G134-N136 VanDerWaalsContact C-N 3.35Å; G134-N136 PolarHBondContact O-N 3.33Å; N136-D138 PolarHBondContact O-N 2.85Å
137K27.6Very low31.6Very low150 Ų150115.9 Ų115.965%0.65266%0.66SS**  trans-90.1104.9-172.2-85.5-168.7168.8-164.40111.2A135 N139A135-K137 PolarHBondContact O-N 3.46Å; K137-N139 PolarHBondContact O-N 2.99Å
138D29.2Very low31.2Very low160 Ų160116.3 Ų116.386%0.85668%0.675SS**  trans-69.983.2161.1-65.5-40.3000109.8N136 H140N136-D138 PolarHBondContact O-N 2.85Å; D138-H140 PolarHBondContact O-N 2.79Å
139N28.4Very low31Very low124 Ų124120.9 Ų120.966%0.66369%0.685SS**  trans-75.888.2-179.4-81.9-25.8000111.6K137K137-N139 PolarHBondContact O-N 2.99Å
140H30.7Very low30.7Very low185 Ų185119.3 Ų119.386%0.85669%0.686SS**  trans-128.3138.9154.4-79.319.9000107.7D138D138-H140 PolarHBondContact O-N 2.79Å
141C24.9Very low30.6Very low129 Ų129124.1 Ų124.187%0.87271%0.71SS**  cis-152153.7-4.552.60000109.5
142G28.8Very low30Very low75 Ų75125 Ų12577%0.77374%0.736SS**  trans-177.3120.9179.100000112.4
143N27Very low29.6Very low146 Ų146123.5 Ų123.578%0.78174%0.74SS**  trans-74.3144.9-175.3-58.9-34.4000111.7
144H33.2Very low29Very low168 Ų168122.9 Ų122.978%0.77875%0.75SS**  178.3122.9101.3-98.5-76.8000114.2
145S31.9Very low28.8Very low98 Ų98127.7 Ų127.769%0.68577%0.773SS**  trans44.4112.4146.555.60000122.4
146S32.8Very low28.6Very low118 Ų118133.9 Ų133.983%0.82578%0.782SS**  trans97.6147.7130.5-58.50000120
147P29.2Very low28.5Very low135 Ų135132.1 Ų132.188%0.87778%0.778SS**  trans-125.3163.5-151.239.7-23.5000116
148G29.2Very low28.4Very low72 Ų72131.7 Ų131.774%0.74279%0.788SS**  trans-173.4124168.400000115.6
149N32Very low28.2Very low154 Ų154127.1 Ų127.182%0.82477%0.772SS**  trans54.789.5155.2-61.8-7.7000120.7V151N149-V151 PolarHBondContact O-N 3.34Å
150N28.1Very low28Very low164 Ų164126.4 Ų126.488%0.87778%0.777SS**  23.893.8122.8-61.5-6.8000118.9
151V31.5Very low27.7Very low131 Ų131123.8 Ų123.879%0.79477%0.768SS**  trans-132.5127.7136.7-179.80000107N149 L153N149-V151 PolarHBondContact O-N 3.34Å; V151-L153 PolarHBondContact O-N 2.82Å
152G26.1Very low27.8Very low78 Ų78122.4 Ų122.480%0.80476%0.76SS**  trans-80.8111.9-17700000112.3
153L26.6Very low27.7Very low150 Ų150128 Ų12879%0.78577%0.768SS**  trans-92.5143.7162.3-106.367.1000109.8V151 T155V151-L153 PolarHBondContact O-N 2.82Å; L153-T155 PolarHBondContact O-N 2.9Å
154P26.9Very low27.6Very low90 Ų90129.4 Ų129.458%0.58477%0.767SS**  trans-71.5123.9-178.428.4-33.8000111.6Y156P154-Y156 HydrophobicContact CB-CE2 4.43Å; P154-Y156 HydrophobicContact CG-CE2 3.89Å; P154-Y156 PolarHBondContact O-N 2.77Å
155T25.1Very low27.3Very low130 Ų130130.5 Ų130.580%0.79877%0.77SS**  trans-75.7100.5171.4-32.40000109.3L153 T157L153-T155 PolarHBondContact O-N 2.9Å; T155-T157 VanDerWaalsContact C-N 3.3Å; T155-T157 PolarHBondContact O-N 2.86Å
156Y24.9Very low27.2Very low201 Ų201133.4 Ų133.479%0.78877%0.772SS**  trans-70.686.4173.5-71.5-77.2000110.9P154P154-Y156 HydrophobicContact CB-CE2 4.43Å; P154-Y156 HydrophobicContact CG-CE2 3.89Å; P154-Y156 PolarHBondContact O-N 2.77Å
157T25Very low27.1Very low117 Ų117131.8 Ų131.872%0.71876%0.761SS**  trans-61.6136.9162.845.50000109.9T155 A159T155-T157 VanDerWaalsContact C-N 3.3Å; T155-T157 PolarHBondContact O-N 2.86Å; T157-A159 PolarHBondContact O-N 2.76Å
158T23.9Very low27Very low141 Ų141132.6 Ų132.687%0.86576%0.758SS**  trans-64.992.4173.1490000111.2
159A25.9Very low27Very low63 Ų63133.6 Ų133.652%0.52176%0.759SS.*  trans-85.5137.1160.100000108.5T157T157-A159 PolarHBondContact O-N 2.76Å
160S24.8Very low26.7Very low109 Ų109133.6 Ų133.676%0.76276%0.758SS**  cis56.940.44182.90000113.8S162S160-S162 PolarHBondContact O-N 2.87Å
161L24.8Very low26.8Very low131 Ų131130.8 Ų130.869%0.68675%0.747SS**  trans-65.176169.7-81168.1000112.1M163L161-M163 PolarHBondContact O-N 2.82Å
162S26Very low26.7Very low99 Ų99134 Ų13469%0.69275%0.751SS**  trans-70.9116.4167.857.20000110.5S160 K164S160-S162 PolarHBondContact O-N 2.87Å; S162-K164 PolarHBondContact O-N 2.92Å
163M26.2Very low26.8Very low192 Ų192133.5 Ų133.595%0.94675%0.745SS**  trans-6399.6170.2-87.2-90.1-126.600110.2L161L161-M163 PolarHBondContact O-N 2.82Å
164K24.5Very low27Very low176 Ų176131.7 Ų131.777%0.76575%0.745SS**  trans-64.4132173.9-68.1174.3-179168.30110.8S162S162-K164 PolarHBondContact O-N 2.92Å
165K28.9Very low27.2Very low192 Ų192135 Ų13584%0.83575%0.752SS**  trans-137.4142.4142.4-117176.1-178.9178.70109.7
166H28.4Very low27.4Very low158 Ų158133.8 Ų133.873%0.73174%0.741SS**  trans-84145.3-171.6-71.4-122.3000111.6
167S30.4Very low27.7Very low84 Ų84131.3 Ų131.359%0.58774%0.741SS**  -173.715910733.80000113.1
168N27.1Very low28Very low153 Ų153132 Ų13282%0.81874%0.736SS**  trans-86.7-177-164.5-55.9-41.1000114.3
169A29.6Very low28.4Very low92 Ų92132 Ų13276%0.7673%0.726SS**  trans89.7136.9155.900000117.1
170L26.7Very low28.7Very low154 Ų154135 Ų13581%0.80674%0.738SS**  cis-165.3151.1-14.2-152.274.2000112.9
171V29.1Very low28.9Very low106 Ų106135.7 Ų135.764%0.64273%0.732SS**  trans79.9111.9140.4136.50000123.1
172K29.5Very low29.3Very low199 Ų199138.8 Ų138.887%0.86574%0.74SS**  trans71.5144.4137-64.4173.6-176.7177.40124.5
173G29.6Very low29.6Very low66 Ų66143.1 Ų143.168%0.6875%0.746SS**  trans110.497.2161.300000113.3
174S29.7Very low30Very low113 Ų113142 Ų14279%0.7974%0.743SS**  63.3127.851.283.80000112.9
175E31.9Very low30.5Very low158 Ų158139 Ų13974%0.73874%0.742SS**  cis-156166.534.7-76.8-169-176.700116.1
176N29.2Very low30.4Very low106 Ų106136.8 Ų136.857%0.56774%0.737SS**  trans47.3142.4143.3-66.6-48.3000120.9Q178N176-Q178 PolarHBondContact OD1-NE2 2.85Å
177L31.1Very low30.5Very low148 Ų148139.2 Ų139.278%0.77575%0.745SS**  cis-134.714626-83.287.2000111.1
178Q30.2Very low30.3Very low131 Ų131141.9 Ų141.961%0.61276%0.758SS**  65.913167.5-57.5-17850.300114.4N176N176-Q178 PolarHBondContact OD1-NE2 2.85Å
179H33Very low30.6Very low142 Ų142137.4 Ų137.466%0.65775%0.748SS**  cis-133175.24.8-59.6-90.1000110.1
180T31.6Very low30.7Very low126 Ų126140 Ų14077%0.77376%0.755SS**  cis-163108.436.5-580000109.5
181I29.8Very low30.9Very low124 Ų124136.2 Ų136.264%0.63675%0.746SS**  62.8101.786.9-53.1171.5000117.8
182K33.8Very low31Very low196 Ų196139 Ų13985%0.85276%0.757SS**  trans169.4103.5134-92.7162.3-173.3177.30109.1
183K31.6Very low31.3Very low190 Ų190134.5 Ų134.583%0.82675%0.751SS**  56.1128.683.6-71.2-171.3173-178.20112.9
184L34.6Very low31.6Very low167 Ų167138.9 Ų138.987%0.87476%0.756SS**  -151.9-179.853-99108.6000114
185P34.6Very low31.8Very low115 Ų115143 Ų14375%0.74775%0.754SS**  trans-128.5-167.7-139.948.5-38.7000119.3
186I26.7Very low31.9Very low144 Ų144142.5 Ų142.574%0.73876%0.756SS**  trans-60.5157.1179.8-61.4155.3000115.5T188I186-T188 HydrophobicContact CG2-CG2 3.99Å
187K31.5Very low32.1Very low209 Ų209140.8 Ų140.891%0.90976%0.764SS**  trans-129.4152.1153.6-101.3-171.6175.3-176.70111.7
188T25.8Very low32.3Very low140 Ų140139.8 Ų139.886%0.85977%0.77SS**  trans-136.2158.2-176460000112.8I186I186-T188 HydrophobicContact CG2-CG2 3.99Å
189G33.4Very low32.5Very low59 Ų59137.5 Ų137.561%0.60878%0.781SS**  trans179.313116600000109.1
190T31.8Very low32.2Very low146 Ų146137.2 Ų137.290%0.89679%0.793SS**  70.9129.853.565.50000114.3
191A31.7Very low32.3Very low76 Ų76134.1 Ų134.163%0.62879%0.787SS**  cis-171178.1-9.600000111.6
192N30.9Very low32.3Very low163 Ų163134.2 Ų134.287%0.87279%0.793SS**  trans73.2127.2152.9-56.9-22.9000122.1
193S35.4Very low32.3Very low105 Ų105131 Ų13173%0.73479%0.785SS**  171.3113.6124.6-148.60000109.7
194M34.7Very low32.4Very low159 Ų159132.3 Ų132.378%0.78379%0.785SS**  59.5139.499.8-63.4-167-162.700115.9
195R34.1Very low32.3Very low200 Ų200129.7 Ų129.776%0.75578%0.776SS**  cis-163.7166.415.2-121.4175-166174.33.6111.4
196D34Very low32.4Very low146 Ų146132.2 Ų132.278%0.78178%0.775SS**  trans32.5153.2148.3-39.7-30.2000121.6
197G34.2Very low32.8Very low71 Ų71131.1 Ų131.173%0.73277%0.771SS**  cis153.9168.1500000109.3
198S35.4Very low32.9Very low127 Ų127126.1 Ų126.189%0.88875%0.754SS**  cis-178.7123.4-17.651.10000112.5
199G33.1Very low33.2Very low82 Ų82129 Ų12985%0.84575%0.749SS**  trans96.2172.8168.200000117.7
200C27.3Very low33.1Very low137 Ų137132.2 Ų132.293%0.92675%0.752SS**  cis162.9143-36.3-1790000109.9
201G32.9Very low33Very low61 Ų61130.4 Ų130.463%0.62974%0.741SS**  trans130.296166.900000114.9
202T31.5Very low32.9Very low125 Ų125131.9 Ų131.977%0.76775%0.747SS**  68114.571.968.90000117.3
203N33.3Very low32.9Very low130 Ų130132.7 Ų132.770%0.69574%0.743SS**  trans-173.6123.2136.2-93.3-39.3000110.1
204R33.6Very low32.6Very low217 Ų217135 Ų13582%0.81974%0.742SS**  68.2143.2102.5-63.6-179.1-172-164.7-0.8115.7
205T31.5Very low32.5Very low112 Ų112133.5 Ų133.569%0.68774%0.737SS**  cis-171.9148.2-15.432.10000105.3
206K36.8Very low32.2Very low168 Ų168134 Ų13473%0.7374%0.74SS**  174.6150.385-92.9-166.5167.4-170.50111.5
207D35.9Very low32.1Very low120 Ų120134.8 Ų134.864%0.64274%0.743SS**  44.3141.7128-46.2-15.4000120.3
208N33.6Very low32.2Very low104 Ų104136 Ų13656%0.55674%0.738SS**  cis-168.5148.411.7-118.1-26.2000110.4
209R31.8Very low31.9Very low200 Ų200136 Ų13676%0.75573%0.729SS**  trans51.9149.2136.6-61.3174.6-146.4-176.75.3120.5
210N31.6Very low31.7Very low127 Ų127141 Ų14168%0.67973%0.727SS**  cis-162.3142.91.1-12213.5000113.2
211T30.3Very low32.1Very low108 Ų108139.3 Ų139.366%0.66372%0.715SS**  trans38.9109.3139.561.80000122.8
212S28.2Very low31.8Very low107 Ų107142 Ų14275%0.74872%0.719SS**  96.6146.8110.780.10000123.3
213K31.2Very low31.7Very low181 Ų181144 Ų14479%0.78772%0.72SS**  trans80.4110152.6-69.8-158.3173.6-173.80121.8
214H30.7Very low31.5Very low153 Ų153143 Ų14371%0.70872%0.718SS**  82.7143.6124.5-90.2-89000123.3
215D31Very low31.4Very low127 Ų127139.8 Ų139.868%0.67972%0.716SS**  trans72.797.3148.2-54-23.2000122.5
216Y28.4Very low31.3Very low212 Ų212140.8 Ų140.883%0.83172%0.716SS**  24.3111.3123.4-78.6-79.4000120.5
217L31.2Very low30.9Very low161 Ų161139 Ų13984%0.84372%0.715SS**  160.7156.5106.6-89.8148.1000111.9
218P35.9Very low30.7Very low97 Ų97142 Ų14263%0.6373%0.725SS**  trans-104168-175.640.3-33.6000114.1
219D29.5Very low30.6Very low128 Ų128141.5 Ų141.568%0.68473%0.73SS**  172.2124.6116.2-94.9-13.1000114.8
220F29.4Very low30.7Very low185 Ų185138.5 Ų138.581%0.81173%0.734SS**  trans55.9-175.9145.3-69.2-66000119.8
221P35.2Very low30.6Very low103 Ų103136.9 Ų136.967%0.66974%0.738SS**  -133.4170.9-6037.2-23.6000116.8
222T27.1Very low30.7Very low118 Ų118137.8 Ų137.872%0.72475%0.749SS**  trans81.7152.9149.75.70000122.1
223Q30.2Very low30.9Very low167 Ų167137.5 Ų137.578%0.7875%0.752SS**  trans72.1145.6153-80.41799.200118.6
224T28.2Very low31Very low107 Ų107134.9 Ų134.966%0.65676%0.757SS**  cis-166.3-175.6-25.45.30000108.2
225I31.6Very low31Very low150 Ų150135 Ų13577%0.76976%0.763SS**  trans73.5151.2163.8-61.7134.2000114.2
226L29.5Very low31.3Very low133 Ų133133.9 Ų133.970%0.69676%0.762SS**  cis166.5147.3-38.6-103171.8000106.5
227D28.3Very low31.4Very low130 Ų130129.9 Ų129.970%0.69576%0.76SS**  trans73.7145.5148.1-63.3-29.7000125.4
228E32.9Very low31.2Very low183 Ų183129.3 Ų129.386%0.85576%0.758SS**  trans62.1134149.5-75.7-171.2158.200121.2
229S30.5Very low31.1Very low94 Ų94134.1 Ų134.166%0.65777%0.772SS**  cis169.9-172.812.650.40000110.2
230V33.2Very low31Very low138 Ų138132.5 Ų132.584%0.83677%0.77SS**  trans76133164-172.70000117.8
231A30.5Very low30.9Very low93 Ų93129.8 Ų129.877%0.76977%0.769SS**  trans-119.6164.2178.300000111.6
232S32.8Very low30.4Very low127 Ų127129 Ų12989%0.88877%0.766SS**  trans-155.1156150.553.10000109.8
233A31.7Very low30.5Very low100 Ų100131.3 Ų131.383%0.82677%0.769SS**  trans-126.2148.7-167.600000112.6
234S33.5Very low30.5Very low126 Ų126129.8 Ų129.888%0.88177%0.766SS**  trans-164.2148.514431.80000111.6
235N29.6Very low30.5Very low156 Ų156132.3 Ų132.383%0.83477%0.768SS**  trans-153.1174.6-177.1-131.4-15.3000104.6
236P37.7Very low30.4Very low103 Ų103133.4 Ų133.467%0.66977%0.77SS**  cis-133.4-165.1-14.532.9-11000112.3
237V31.3Very low30.5Very low129 Ų129132.7 Ų132.778%0.78277%0.767SS**  trans145.2131.7130.7170.20000112.8
238N27.1Very low30.7Very low149 Ų149134.5 Ų134.580%0.79778%0.776SS**  trans-61.8148.7-177.9-44.9-33.5000114.6
239Q33.4Very low30.4Very low198 Ų198132.9 Ų132.993%0.92577%0.773SS**  -145.9170.9127-116.2171.233.500111.4
240S26.4Very low30.4Very low93 Ų93137 Ų13765%0.6578%0.781SS**  trans-94.9175.3-159.356.60000114.6
241T27.9Very low30Very low128 Ų128135.8 Ų135.879%0.78578%0.779SS**  trans65.4144.9157.938.60000117.3
242S25.8Very low30Very low87 Ų87137.7 Ų137.761%0.60878%0.781SS**  cis-177.3158.5-23.145.50000108.4
243Q27.6Very low29.7Very low167 Ų167136.6 Ų136.678%0.7877%0.765SS**  trans63.4112168-58.4172.1-12.500116.2
244N30.6Very low29.9Very low134 Ų134137.3 Ų137.372%0.71776%0.761SS**  -178.4152.398.3-88-40.2000112.5
245F28.4Very low29.7Very low161 Ų161138.3 Ų138.371%0.70675%0.752SS**  trans5146.8150.9-61.6-100.8000119.2
246E30.7Very low30.5Very low172 Ų172136.4 Ų136.480%0.80474%0.741SS**  cis-151.8160.433-152.1148.7-126.900115.7
247N30Very low31.1Very low119 Ų119138.1 Ų138.164%0.63674%0.74SS**  trans-63.1136.7-166.8-54.9-72.2000115.9
248N32.6Very low32.8Very low167 Ų167136.3 Ų136.389%0.89372%0.723SS**  trans-135.4102.6145.1-113.7-37.2000108.2H250N248-H250 PolarHBondContact O-N 2.79Å
249L27.6Very low35.5Very low150 Ų150131.7 Ų131.779%0.78570%0.696SS**  trans-92.7104.9-167.5-14079.4000111.3
250H29.9Very low38.2Very low181 Ų181124.8 Ų124.884%0.83867%0.668SS**  trans-121.9111.6160.6-88.419.8000108.5N248 T252N248-H250 PolarHBondContact O-N 2.79Å; H250-T252 PolarHBondContact O-N 3.25Å
251S24.5Very low41.3Very low111 Ų111120.4 Ų120.478%0.77664%0.637SS**  trans-78.2102.4177.651.90000109.9
252T30.2Very low44.3Very low133 Ų133116.5 Ų116.582%0.81661%0.613SS**  trans-83.4113.7165.7520000109.1H250H250-T252 PolarHBondContact O-N 3.25Å
253D27.2Very low47.5Very low104 Ų104112.8 Ų112.856%0.55659%0.587SS**  trans-60.1148.8167.1-70.2-63000110.4E255D253-E255 PolarHBondContact O-N 3.42Å
254P35.1Very low50.6Low115 Ų115105.3 Ų105.375%0.74755%0.552SS**  trans-68.6100.4176.128.1-33.4000109.8L256P254-L256 PolarHBondContact O-N 2.87Å; P254-L256 VanDerWaalsContact O-N 3.14Å
255E31Very low53.5Low147 Ų147100.8 Ų100.869%0.68753%0.529SS*.  trans-59.2116.3-176-165.6176.6174.200110.9D253 H257D253-E255 PolarHBondContact O-N 3.42Å; E255-H257 PolarHBondContact O-N 3.28Å; E255-H257 IonicContact OE1-CE1 3.2Å; E255-H257 IonicContact OE1-ND1 3.9Å; E255-H257 IonicContact OE2-CE1 2.81Å; E255-H257 PolarHBondContact OE2-CE1 2.94Å; E255-H257 IonicContact OE2-NE2 2.71Å
256L44.9Very low56.4Low117 Ų11794.1 Ų94.161%0.61350%0.503SS*.  trans-7870.3-173.6-161.382.8000110.5P254 H258P254-L256 PolarHBondContact O-N 2.87Å; P254-L256 VanDerWaalsContact O-N 3.14Å; L256-H258 PolarHBondContact O-CD2 3.47Å; L256-H258 PolarHBondContact O-N 2.9Å
257H50.8Low59.1Low138 Ų13888.3 Ų88.364%0.63948%0.475SS*.  trans-61.992.9-175.9-65.5-58.2000112.3E255 K259E255-H257 PolarHBondContact O-N 3.28Å; E255-H257 IonicContact OE1-CE1 3.2Å; E255-H257 IonicContact OE1-ND1 3.9Å; E255-H257 IonicContact OE2-CE1 2.81Å; E255-H257 PolarHBondContact OE2-CE1 2.94Å; E255-H257 IonicContact OE2-NE2 2.71Å; H257-K259 PolarHBondContact O-N 3.45Å
258H67.9Low61.6Low92 Ų9287 Ų8743%0.42647%0.465SS..PPolyproline II helixtrans-60.4133.6170.9-65.8-75000110.8S119 L256 N1098S119-H258 WeakPolarHBondContact CB-ND1 3.11Å; S119-H258 PolarHBondContact OG-ND1 2.95Å; S119-H258 VanDerWaalsContact OG-ND1 3.11Å; L256-H258 PolarHBondContact O-CD2 3.47Å; L256-H258 PolarHBondContact O-N 2.9Å; H258-N1098 VanDerWaalsContact CB-O 3.24Å; H258-N1098 WeakPolarHBondContact CB-O 3.43Å
259K83Confident63.9Low51 Ų5180.4 Ų80.422%0.22243%0.432CS..PPolyproline II helixtrans-85.9132.4-179.4-70.1166.7165.9-174.70109.5F122 H257 Y275 S276 D277 G1099F122-K259 HydrophobicContact CD2-CD 4.29Å; F122-K259 HydrophobicContact CE2-CB 4.25Å; F122-K259 HydrophobicContact CE2-CD 4.14Å; F122-K259 HydrophobicContact CE2-CG 4.44Å; F122-K259 HydrophobicContact CZ-CD 4.41Å; H257-K259 PolarHBondContact O-N 3.45Å; K259-Y275 HydrophobicContact CB-CD1 4.39Å; K259-Y275 WeakPolarHBondContact O-CD1 2.72Å; K259-S276 VanDerWaalsContact CD-OG 3.3Å; K259-S276 WeakPolarHBondContact CD-OG 3.39Å; K259-D277 WeakPolarHBondContact CD-OD1 3.41Å; K259-D277 WeakPolarHBondContact CE-OD1 3.31Å; K259-D277 IonicContact NZ-OD1 2.62Å; K259-D277 PolarHBondContact NZ-OD1 2.85Å; K259-D277 IonicContact NZ-OD2 3.84Å; K259-D277 PolarHBondContact NZ-OD2 3.38Å; K259-G1099 WeakPolarHBondContact O-CA 3.5Å
260P89.7Confident66.8Low54 Ų5473.7 Ų73.735%0.35140%0.397SS..PPolyproline II helixtrans-66.7147.8-178.828.6-36.4000111.6T262 Y275P260-T262 PolarHBondContact O-N 2.79Å; P260-Y275 WeakPolarHBondContact O-CA 3.47Å
261V92Very high69.8Low0 Ų065 Ų650%036%0.357CS..  trans-79.1109.1176.8-171.80000109.7L264 A273 A274 Y275 S1071 S1072 H1096 T1100 I1101V261-L264 HydrophobicContact CG1-CD2 3.9Å; V261-L264 HydrophobicContact CG1-CG 4Å; V261-A273 HydrophobicContact CG1-CB 4.21Å; V261-A274 CarbonylContact C-O 3.59Å; V261-A274 WeakPolarHBondContact CA-O 3.01Å; V261-Y275 HydrophobicContact CG2-CD1 4.35Å; V261-Y275 HydrophobicContact CG2-CE1 3.92Å; V261-S1071 PolarHBondContact N-OG 2.9Å; V261-S1071 WeakPolarHBondContact O-CB 3.49Å; V261-S1071 PolarHBondContact O-OG 2.88Å; V261-S1072 WeakPolarHBondContact O-CB 3.38Å; V261-S1072 PolarHBondContact O-OG 2.89Å; V261-H1096 PolarHBondContact N-O 3.14Å; V261-H1096 VanDerWaalsContact N-O 3.09Å; V261-T1100 WeakPolarHBondContact CG2-O 3.38Å; V261-I1101 HydrophobicContact CG1-CG1 4.46Å; V261-I1101 HydrophobicContact CG2-CG1 4.01Å
262T91.5Very high73.1Confident46 Ų4659.8 Ų59.828%0.28232%0.32SS..  trans-90.9-29.5-171.365.90000113.8P260 A274 Y275 A1022P260-T262 PolarHBondContact O-N 2.79Å; T262-A274 PolarHBondContact N-O 3.2Å; T262-A274 VanDerWaalsContact OG1-CB 3.27Å; T262-A274 WeakPolarHBondContact OG1-CB 3.43Å; T262-A274 PolarHBondContact OG1-O 3.05Å; T262-Y275 WeakPolarHBondContact CG2-O 3.28Å; T262-Y275 PolarHBondContact OG1-O 3.35Å; T262-A1022 WeakPolarHBondContact O-CB 3.49Å
263L92.1Very high76.2Confident9 Ų953.4 Ų53.45%0.04728%0.281CS..EExtended strand (participates in β ladder)trans-145.3147177.8-61.1166.7000110.4A273 A274 I303 I306 A1022L263-A273 CarbonylContact O-C 3.47Å; L263-A273 WeakPolarHBondContact O-CA 3.24Å; L263-A274 HydrophobicContact CB-CB 3.73Å; L263-A274 HydrophobicContact CD1-CB 4.17Å; L263-A274 HydrophobicContact CG-CB 4.2Å; L263-A274 PolarHBondContact O-N 2.96Å; L263-I303 HydrophobicContact CD1-CG2 3.96Å; L263-I306 HydrophobicContact CD1-CG1 4.45Å; L263-A1022 HydrophobicContact CD2-CB 3.93Å
264L92.8Very high79.3Confident10 Ų1048.5 Ų48.55%0.05226%0.255CS..EExtended strand (participates in β ladder)trans-130.1128.3170.5-71.5169.5000109.9V261 M271 A273 T1074 F1093 I1101V261-L264 HydrophobicContact CG1-CD2 3.9Å; V261-L264 HydrophobicContact CG1-CG 4Å; L264-M271 HydrophobicContact CD2-CG 4.43Å; L264-M271 HydrophobicContact CD2-SD 3.89Å; L264-A273 HydrophobicContact CD2-CB 3.66Å; L264-T1074 HydrophobicContact CB-CG2 3.62Å; L264-F1093 HydrophobicContact CD1-CB 4.03Å; L264-I1101 HydrophobicContact CD1-CG2 4.38Å; L264-I1101 HydrophobicContact CD2-CD1 4Å; L264-I1101 HydrophobicContact CD2-CG1 4.38Å; L264-I1101 HydrophobicContact CD2-CG2 4.21Å
265V91.7Very high81.9Confident40 Ų4043 Ų4324%0.24222%0.219CC..EExtended strand (participates in β ladder)trans-132.2122.2177.2-178.20000109.1M271 A272 I306 L308V265-M271 CarbonylContact O-C 3.59Å; V265-M271 WeakPolarHBondContact O-CA 3.23Å; V265-A272 PolarHBondContact N-O 2.66Å; V265-A272 PolarHBondContact O-N 3.04Å; V265-I306 HydrophobicContact CB-CG2 4.13Å; V265-I306 HydrophobicContact CG2-CB 3.89Å; V265-I306 HydrophobicContact CG2-CG2 3.97Å; V265-L308 HydrophobicContact CG1-CB 3.98Å
266C89.6Confident84.4Confident21 Ų2138 Ų3814%0.14220%0.2CC..EExtended strand (participates in β ladder)trans-111.1148.5179-61.20000111I270 H1076C266-I270 CarbonylContact C-O 3.43Å; C266-I270 WeakPolarHBondContact CA-O 3.48Å; C266-H1076 HydrophobicContact CB-CB 3.89Å; C266-H1076 VanDerWaalsContact CB-CG 3.42Å
267H86.3Confident86.5Confident50 Ų5033.8 Ų33.823%0.23118%0.178CC..EExtended strand (participates in β ladder)trans-153.8118.9172.3-179.1-76.6000110.2S269 I270 L308 G310H267-S269 PolarHBondContact O-N 3.38Å; H267-I270 PolarHBondContact N-O 3.27Å; H267-I270 PolarHBondContact O-N 2.61Å; H267-I270 VanDerWaalsContact O-N 3.13Å; H267-L308 HydrophobicContact CB-CD2 4.15Å; H267-L308 HydrophobicContact CB-CG 4.13Å; H267-G310 PolarHBondContact CE1-N 3.35Å; H267-G310 PolarHBondContact ND1-N 2.56Å
268Q82.5Confident88.4Confident90 Ų9027.2 Ų27.242%0.42115%0.148SC..THydrogen-bonded Turntrans50.5-126-171.8-63.517017.300110.3I270 H1076 H1078Q268-I270 VanDerWaalsContact C-N 3.32Å; Q268-I270 PolarHBondContact O-N 2.79Å; Q268-H1076 PolarHBondContact O-NE2 2.77Å; Q268-H1078 PolarHBondContact O-CD2 2.85Å
269S81.8Confident89.6Confident29 Ų2922.8 Ų22.820%0.20313%0.128CC..THydrogen-bonded Turntrans-90.823.7-179.4660000113.9H267 S283 L284H267-S269 PolarHBondContact O-N 3.38Å; S269-S283 WeakPolarHBondContact O-CA 3.37Å; S269-L284 PolarHBondContact O-N 3.09Å
270I88.6Confident90Very high9 Ų920.4 Ų20.45%0.04612%0.117CC..EExtended strand (participates in β ladder)trans-133.3141.4-173.5-51.3178.4000109.9C266 H267 Q268 V281 F282 L308 C427C266-I270 CarbonylContact C-O 3.43Å; C266-I270 WeakPolarHBondContact CA-O 3.48Å; H267-I270 PolarHBondContact N-O 3.27Å; H267-I270 PolarHBondContact O-N 2.61Å; H267-I270 VanDerWaalsContact O-N 3.13Å; Q268-I270 VanDerWaalsContact C-N 3.32Å; Q268-I270 PolarHBondContact O-N 2.79Å; I270-V281 HydrophobicContact CG2-CG1 3.76Å; I270-F282 WeakPolarHBondContact CA-O 3.27Å; I270-F282 WeakPolarHBondContact CG2-O 3.16Å; I270-L308 HydrophobicContact CB-CD2 4.33Å; I270-L308 HydrophobicContact CG2-CD1 4.33Å; I270-L308 HydrophobicContact CG2-CD2 4.03Å; I270-C427 HydrophobicContact CD1-CB 3.65Å
271M92.3Very high90.2Very high0 Ų017.8 Ų17.80%010%0.1CC..EExtended strand (participates in β ladder)trans-130.4138.4179.2176.1-176.969.400110.1M117 L264 V265 V281 F282 W290 F1093 I1101M117-M271 HydrophobicContact CE-CE 3.71Å; M117-M271 HydrophobicContact SD-CE 3.7Å; L264-M271 HydrophobicContact CD2-CG 4.43Å; L264-M271 HydrophobicContact CD2-SD 3.89Å; V265-M271 CarbonylContact O-C 3.59Å; V265-M271 WeakPolarHBondContact O-CA 3.23Å; M271-V281 CarbonylContact O-C 3.58Å; M271-V281 WeakPolarHBondContact O-CA 3.23Å; M271-F282 HydrophobicContact CE-CB 3.92Å; M271-F282 HydrophobicContact CE-CD1 4.48Å; M271-F282 HydrophobicContact CE-CD2 3.59Å; M271-F282 HydrophobicContact CE-CE2 4.18Å; M271-F282 HydrophobicContact CE-CG 3.77Å; M271-F282 PolarHBondContact N-O 3.45Å; M271-F282 PolarHBondContact O-N 3.21Å; M271-W290 HydrophobicContact CB-CE3 4.33Å; M271-W290 HydrophobicContact CB-CH2 4.2Å; M271-W290 HydrophobicContact CB-CZ3 3.68Å; M271-F1093 HydrophobicContact CE-CD1 4.49Å; M271-F1093 HydrophobicContact SD-CB 4.47Å; M271-F1093 HydrophobicContact SD-CD1 3.39Å; M271-F1093 WeakPolarHBondContact SD-CD1 3.37Å; M271-F1093 HydrophobicContact SD-CE1 3.85Å; M271-F1093 HydrophobicContact SD-CG 4.08Å; M271-I1101 HydrophobicContact CE-CD1 3.69Å; M271-I1101 HydrophobicContact CE-CG2 4.13Å; M271-I1101 HydrophobicContact SD-CG2 4.23Å
272A94.1Very high90.1Very high0 Ų017.9 Ų17.90%010%0.101CC..EExtended strand (participates in β ladder)trans-115.2129.8168.900000109.7V265 V279 V281 I306 L308 L429V265-A272 PolarHBondContact N-O 2.66Å; V265-A272 PolarHBondContact O-N 3.04Å; A272-V279 HydrophobicContact CB-CG1 4.11Å; A272-V281 HydrophobicContact CB-CG2 4.16Å; A272-I306 HydrophobicContact CB-CG2 4.07Å; A272-L308 HydrophobicContact CB-CD2 4.14Å; A272-L429 HydrophobicContact CB-CD1 3.7Å
273A94.4Very high89.8Confident0 Ų016.2 Ų16.20%09%0.091CC..EExtended strand (participates in β ladder)trans-117.4120.6179.400000110V261 L263 L264 V279 G280 F282 I1101V261-A273 HydrophobicContact CG1-CB 4.21Å; L263-A273 CarbonylContact O-C 3.47Å; L263-A273 WeakPolarHBondContact O-CA 3.24Å; L264-A273 HydrophobicContact CD2-CB 3.66Å; A273-V279 CarbonylContact O-C 3.6Å; A273-V279 VanDerWaalsContact O-CA 3.3Å; A273-V279 WeakPolarHBondContact O-CA 3.29Å; A273-G280 PolarHBondContact N-O 2.91Å; A273-G280 PolarHBondContact O-N 3.29Å; A273-F282 HydrophobicContact CB-CE2 4.11Å; A273-I1101 HydrophobicContact CB-CD1 3.51Å
274A93.7Very high89.2Confident0 Ų016.2 Ų16.20%09%0.091CC..EExtended strand (participates in β ladder)trans-80.6132.7168.300000109.7V261 T262 L263 I303 I306V261-A274 CarbonylContact C-O 3.59Å; V261-A274 WeakPolarHBondContact CA-O 3.01Å; T262-A274 PolarHBondContact N-O 3.2Å; T262-A274 VanDerWaalsContact OG1-CB 3.27Å; T262-A274 WeakPolarHBondContact OG1-CB 3.43Å; T262-A274 PolarHBondContact OG1-O 3.05Å; L263-A274 HydrophobicContact CB-CB 3.73Å; L263-A274 HydrophobicContact CD1-CB 4.17Å; L263-A274 HydrophobicContact CG-CB 4.2Å; L263-A274 PolarHBondContact O-N 2.96Å; A274-I303 HydrophobicContact CB-CB 4.13Å; A274-I303 HydrophobicContact CB-CD1 3.8Å; A274-I303 HydrophobicContact CB-CG2 4.02Å; A274-I306 HydrophobicContact CB-CD1 3.77Å
275Y89.8Confident88.2Confident0 Ų021 Ų210%011%0.112CC..  trans-89.3-149.1158.6-59-79000107.8P120 F122 K259 P260 V261 T262 C278P120-Y275 WeakPolarHBondContact CD-OH 3.32Å; P120-Y275 HydrophobicContact CG-CE2 4.25Å; F122-Y275 HydrophobicContact CZ-CD1 4.22Å; F122-Y275 HydrophobicContact CZ-CD2 4.03Å; F122-Y275 HydrophobicContact CZ-CE2 4.37Å; F122-Y275 AromaticContact CZ-CG 3.97Å; F122-Y275 HydrophobicContact CZ-CG 3.97Å; K259-Y275 HydrophobicContact CB-CD1 4.39Å; K259-Y275 WeakPolarHBondContact O-CD1 2.72Å; P260-Y275 WeakPolarHBondContact O-CA 3.47Å; V261-Y275 HydrophobicContact CG2-CD1 4.35Å; V261-Y275 HydrophobicContact CG2-CE1 3.92Å; T262-Y275 WeakPolarHBondContact CG2-O 3.28Å; T262-Y275 PolarHBondContact OG1-O 3.35Å; Y275-C278 PolarHBondContact N-O 3.03Å
276S83.4Confident86.8Confident42 Ų4224 Ų2429%0.29413%0.126SC..SBendtrans-63.6-49.4171.8360000112.7K259 P302 I303K259-S276 VanDerWaalsContact CD-OG 3.3Å; K259-S276 WeakPolarHBondContact CD-OG 3.39Å; S276-P302 WeakPolarHBondContact O-CA 3.18Å; S276-I303 PolarHBondContact O-N 3.35Å
277D87.6Confident85.1Confident28 Ų2829.2 Ų29.215%0.1516%0.159CC..SBendtrans-143.87.1-15659.6-35.7000112.5K259 I298 L299K259-D277 WeakPolarHBondContact CD-OD1 3.41Å; K259-D277 WeakPolarHBondContact CE-OD1 3.31Å; K259-D277 IonicContact NZ-OD1 2.62Å; K259-D277 PolarHBondContact NZ-OD1 2.85Å; K259-D277 IonicContact NZ-OD2 3.84Å; K259-D277 PolarHBondContact NZ-OD2 3.38Å; D277-I298 HydrophobicContact CB-CG2 4.49Å; D277-L299 WeakPolarHBondContact O-CB 3.17Å; D277-L299 PolarHBondContact O-N 3.38Å
278C91.3Very high84Confident0 Ų031.2 Ų31.20%017%0.171CC..  trans-149.9160177.953.30000110.9F122 F131 Y275 S296 I303F122-C278 VanDerWaalsContact CE1-SG 3.5Å; F131-C278 HydrophobicContact CE2-CB 4.3Å; Y275-C278 PolarHBondContact N-O 3.03Å; C278-S296 WeakPolarHBondContact CA-OG 3.5Å; C278-I303 VanDerWaalsContact O-CD1 3.28Å; C278-I303 WeakPolarHBondContact O-CD1 3.19Å
279V93.4Very high83.3Confident0 Ų027.9 Ų27.90%016%0.16CC..EExtended strand (participates in β ladder)trans-121.1120.8-178-178.10000110.6A272 A273 V281 L295 S296 I303 I306 L429 V431A272-V279 HydrophobicContact CB-CG1 4.11Å; A273-V279 CarbonylContact O-C 3.6Å; A273-V279 VanDerWaalsContact O-CA 3.3Å; A273-V279 WeakPolarHBondContact O-CA 3.29Å; V279-V281 HydrophobicContact CG1-CG2 4.18Å; V279-L295 CarbonylContact O-C 3.57Å; V279-L295 WeakPolarHBondContact O-CA 3.03Å; V279-S296 PolarHBondContact N-OG 3.31Å; V279-S296 PolarHBondContact O-N 3.34Å; V279-I303 HydrophobicContact CG2-CD1 3.62Å; V279-I306 HydrophobicContact CB-CD1 4.45Å; V279-I306 HydrophobicContact CG1-CD1 3.85Å; V279-I306 HydrophobicContact CG2-CD1 3.68Å; V279-I306 HydrophobicContact CG2-CG1 4.46Å; V279-L429 HydrophobicContact CB-CD2 4.49Å; V279-L429 HydrophobicContact CG1-CD1 4.43Å; V279-L429 HydrophobicContact CG1-CD2 4.05Å; V279-V431 HydrophobicContact CG2-CG1 4.13Å; V279-V431 HydrophobicContact CG2-CG2 3.91Å
280G92Very high83.3Confident0 Ų027 Ų270%015%0.153CC..EExtended strand (participates in β ladder)trans-89.3131.2166.400000110.2A273A273-G280 PolarHBondContact N-O 2.91Å; A273-G280 PolarHBondContact O-N 3.29Å
281V92.5Very high82.8Confident0 Ų027 Ų270%015%0.153CC..EExtended strand (participates in β ladder)trans-111.4130173.4-1760000109I270 M271 A272 V279 I293 W294 L429 L442I270-V281 HydrophobicContact CG2-CG1 3.76Å; M271-V281 CarbonylContact O-C 3.58Å; M271-V281 WeakPolarHBondContact O-CA 3.23Å; A272-V281 HydrophobicContact CB-CG2 4.16Å; V279-V281 HydrophobicContact CG1-CG2 4.18Å; V281-I293 HydrophobicContact CB-CG1 4.25Å; V281-I293 HydrophobicContact CG1-CD1 3.85Å; V281-I293 HydrophobicContact CG1-CG1 3.98Å; V281-I293 WeakPolarHBondContact O-CG1 3.49Å; V281-I293 PolarHBondContact O-N 2.99Å; V281-W294 HydrophobicContact CB-CB 4.45Å; V281-W294 HydrophobicContact CB-CE3 4.47Å; V281-W294 HydrophobicContact CG2-CE3 3.85Å; V281-W294 HydrophobicContact CG2-CZ3 4.35Å; V281-W294 PolarHBondContact N-O 3.12Å; V281-W294 PolarHBondContact O-N 3.45Å; V281-L429 HydrophobicContact CG2-CD1 4.4Å; V281-L429 HydrophobicContact CG2-CD2 3.94Å; V281-L442 HydrophobicContact CB-CD1 4.15Å; V281-L442 HydrophobicContact CG1-CD1 4.19Å; V281-L442 HydrophobicContact CG2-CD1 3.89Å
282F90.5Very high82.5Confident1 Ų128.1 Ų28.10%0.00416%0.158CC..EExtended strand (participates in β ladder)trans-119.5148.4-176.7-58.7-105.7000109.8M117 I270 M271 A273 W290 H291 L292 I1101M117-F282 HydrophobicContact CB-CE1 4.24Å; M117-F282 HydrophobicContact CG-CD1 4.36Å; M117-F282 HydrophobicContact CG-CE1 4.24Å; M117-F282 HydrophobicContact SD-CB 4.49Å; M117-F282 HydrophobicContact SD-CD1 3.54Å; M117-F282 VanDerWaalsContact SD-CD1 3.54Å; M117-F282 HydrophobicContact SD-CE1 3.83Å; M117-F282 HydrophobicContact SD-CG 4.07Å; I270-F282 WeakPolarHBondContact CA-O 3.27Å; I270-F282 WeakPolarHBondContact CG2-O 3.16Å; M271-F282 HydrophobicContact CE-CB 3.92Å; M271-F282 HydrophobicContact CE-CD1 4.48Å; M271-F282 HydrophobicContact CE-CD2 3.59Å; M271-F282 HydrophobicContact CE-CE2 4.18Å; M271-F282 HydrophobicContact CE-CG 3.77Å; M271-F282 PolarHBondContact N-O 3.45Å; M271-F282 PolarHBondContact O-N 3.21Å; A273-F282 HydrophobicContact CB-CE2 4.11Å; F282-W290 HydrophobicContact CB-CE3 4.1Å; F282-H291 CarbonylContact C-O 3.57Å; F282-H291 WeakPolarHBondContact CA-O 3.04Å; F282-L292 HydrophobicContact CD1-CB 3.97Å; F282-L292 HydrophobicContact CD1-CD1 4.14Å; F282-L292 HydrophobicContact CD2-CD1 4.13Å; F282-L292 HydrophobicContact CE1-CB 3.9Å; F282-L292 HydrophobicContact CE1-CD1 3.84Å; F282-L292 HydrophobicContact CE1-CG 4.48Å; F282-L292 HydrophobicContact CE2-CD1 3.82Å; F282-L292 HydrophobicContact CG-CD1 4.29Å; F282-L292 HydrophobicContact CZ-CD1 3.67Å; F282-I1101 HydrophobicContact CD2-CD1 4.47Å; F282-I1101 HydrophobicContact CE2-CD1 3.77Å; F282-I1101 HydrophobicContact CZ-CD1 3.97Å
283S85.6Confident82.2Confident11 Ų1128.3 Ų28.38%0.07716%0.159CC..EExtended strand (participates in β ladder)trans-124.7145.4175.2-1740000110.3S269 W290 H291S269-S283 WeakPolarHBondContact O-CA 3.37Å; S283-W290 WeakPolarHBondContact O-CA 3.48Å; S283-H291 PolarHBondContact N-O 3.5Å; S283-H291 PolarHBondContact O-CE1 3.3Å; S283-H291 PolarHBondContact O-N 3.3Å; S283-H291 PolarHBondContact O-ND1 2.99Å
284L79.3Confident81.9Confident10 Ų1029.1 Ų29.15%0.05216%0.162CC..EExtended strand (participates in β ladder)trans-90.8121.7170.7176.457.6000109.1S269 W290S269-L284 PolarHBondContact O-N 3.09Å; L284-W290 HydrophobicContact CB-CD2 3.94Å; L284-W290 HydrophobicContact CB-CE3 4.06Å; L284-W290 HydrophobicContact CB-CH2 3.86Å; L284-W290 HydrophobicContact CB-CZ2 3.7Å; L284-W290 HydrophobicContact CB-CZ3 4.03Å; L284-W290 HydrophobicContact CD1-CG 4.41Å; L284-W290 HydrophobicContact CD2-CZ2 3.98Å; L284-W290 HydrophobicContact CG-CZ2 4.36Å
285K71.7Confident81.8Confident111 Ų11130.8 Ų30.848%0.48317%0.171SC..EExtended strand (participates in β ladder)trans-134.1104.9177176.1176.8174.8-175.90109.6I288 G289 H291K285-I288 HydrophobicContact CD-CD1 4.04Å; K285-I288 HydrophobicContact CG-CD1 4.34Å; K285-I288 CarbonylContact O-C 3.56Å; K285-I288 WeakPolarHBondContact O-CA 3.37Å; K285-I288 VanDerWaalsContact O-CB 3.31Å; K285-I288 WeakPolarHBondContact O-CB 3.3Å; K285-I288 PolarHBondContact O-N 3.46Å; K285-G289 PolarHBondContact N-O 2.98Å; K285-G289 PolarHBondContact O-N 3.32Å; K285-H291 VanDerWaalsContact CB-CE1 3.43Å; K285-H291 WeakPolarHBondContact CB-CE1 3.49Å
286D62.3Low81.8Confident103 Ų10330.8 Ų30.855%0.55117%0.171SC*.THydrogen-bonded Turntrans-67.4141.9179.2-60.6-38.5000111.5F1081D286-F1081 WeakPolarHBondContact OD2-CE2 3.14Å
287P53.5Low82Confident129 Ų12932.4 Ų32.484%0.83818%0.181SC*.THydrogen-bonded Turncis-90.811.6-5.238.6-36.4000113.6G289P287-G289 VanDerWaalsContact C-N 3.3Å; P287-G289 PolarHBondContact O-N 3.46Å
288I63Low82Confident93 Ų9334.8 Ų34.848%0.47719%0.192SC..THydrogen-bonded Turntrans-68.5-30.5-177.7-55.6173.5000111.2K285 A492K285-I288 HydrophobicContact CD-CD1 4.04Å; K285-I288 HydrophobicContact CG-CD1 4.34Å; K285-I288 CarbonylContact O-C 3.56Å; K285-I288 WeakPolarHBondContact O-CA 3.37Å; K285-I288 VanDerWaalsContact O-CB 3.31Å; K285-I288 WeakPolarHBondContact O-CB 3.3Å; K285-I288 PolarHBondContact O-N 3.46Å; I288-A492 HydrophobicContact CG2-CB 3.98Å
289G68.9Low82Confident19 Ų1935.1 Ų35.120%0.19619%0.194CC..EExtended strand (participates in β ladder)trans88-153.8-178.600000112.9K285 P287 H291K285-G289 PolarHBondContact N-O 2.98Å; K285-G289 PolarHBondContact O-N 3.32Å; P287-G289 VanDerWaalsContact C-N 3.3Å; P287-G289 PolarHBondContact O-N 3.46Å; G289-H291 PolarHBondContact O-ND1 3.42Å
290W80.8Confident81.9Confident12 Ų1240.1 Ų40.15%0.04523%0.227CC..EExtended strand (participates in β ladder)trans-75.6127.1178.3-70.796000111.3M117 M271 F282 S283 L284 F1093M117-W290 HydrophobicContact CE-CB 4.08Å; M117-W290 HydrophobicContact CE-CG 4.22Å; M117-W290 HydrophobicContact CG-CB 4.29Å; M117-W290 HydrophobicContact SD-CB 3.59Å; M117-W290 VanDerWaalsContact SD-CB 3.59Å; M117-W290 HydrophobicContact SD-CG 4.26Å; M271-W290 HydrophobicContact CB-CE3 4.33Å; M271-W290 HydrophobicContact CB-CH2 4.2Å; M271-W290 HydrophobicContact CB-CZ3 3.68Å; F282-W290 HydrophobicContact CB-CE3 4.1Å; S283-W290 WeakPolarHBondContact O-CA 3.48Å; L284-W290 HydrophobicContact CB-CD2 3.94Å; L284-W290 HydrophobicContact CB-CE3 4.06Å; L284-W290 HydrophobicContact CB-CH2 3.86Å; L284-W290 HydrophobicContact CB-CZ2 3.7Å; L284-W290 HydrophobicContact CB-CZ3 4.03Å; L284-W290 HydrophobicContact CD1-CG 4.41Å; L284-W290 HydrophobicContact CD2-CZ2 3.98Å; L284-W290 HydrophobicContact CG-CZ2 4.36Å; W290-F1093 HydrophobicContact CD2-CE1 4.32Å; W290-F1093 AromaticContact CE2-CE1 3.74Å; W290-F1093 AromaticContact CE2-CZ 3.85Å; W290-F1093 HydrophobicContact CH2-CE1 4.33Å; W290-F1093 HydrophobicContact CH2-CZ 4.1Å; W290-F1093 AromaticContact CZ2-CE1 3.78Å; W290-F1093 HydrophobicContact CZ2-CE1 3.78Å; W290-F1093 AromaticContact CZ2-CZ 3.46Å; W290-F1093 HydrophobicContact CZ2-CZ 3.46Å; W290-F1093 VanDerWaalsContact CZ2-CZ 3.46Å; W290-F1093 AromaticContact NE1-CE1 3.99Å
291H78.7Confident81.7Confident8 Ų841 Ų414%0.03724%0.236CC..EExtended strand (participates in β ladder)trans-138.5141.7179.359.5-76.4000111.1F282 S283 K285 G289 I293 I494F282-H291 CarbonylContact C-O 3.57Å; F282-H291 WeakPolarHBondContact CA-O 3.04Å; S283-H291 PolarHBondContact N-O 3.5Å; S283-H291 PolarHBondContact O-CE1 3.3Å; S283-H291 PolarHBondContact O-N 3.3Å; S283-H291 PolarHBondContact O-ND1 2.99Å; K285-H291 VanDerWaalsContact CB-CE1 3.43Å; K285-H291 WeakPolarHBondContact CB-CE1 3.49Å; G289-H291 PolarHBondContact O-ND1 3.42Å; H291-I293 VanDerWaalsContact CD2-CG2 3.43Å; H291-I293 WeakPolarHBondContact CD2-CG2 3.38Å; H291-I293 VanDerWaalsContact NE2-CG2 3.3Å; H291-I293 WeakPolarHBondContact NE2-CG2 3.35Å; H291-I293 PolarHBondContact O-N 3.48Å; H291-I494 WeakPolarHBondContact CD2-CD1 3.3Å
292L87Confident81.6Confident23 Ų2345.5 Ų45.512%0.1227%0.265CS..EExtended strand (participates in β ladder)trans-66.5121.5175.3-174.575.2000109.3P120 F282 W294P120-L292 HydrophobicContact CB-CD2 4.43Å; P120-L292 HydrophobicContact CG-CD2 4.24Å; F282-L292 HydrophobicContact CD1-CB 3.97Å; F282-L292 HydrophobicContact CD1-CD1 4.14Å; F282-L292 HydrophobicContact CD2-CD1 4.13Å; F282-L292 HydrophobicContact CE1-CB 3.9Å; F282-L292 HydrophobicContact CE1-CD1 3.84Å; F282-L292 HydrophobicContact CE1-CG 4.48Å; F282-L292 HydrophobicContact CE2-CD1 3.82Å; F282-L292 HydrophobicContact CG-CD1 4.29Å; F282-L292 HydrophobicContact CZ-CD1 3.67Å; L292-W294 WeakPolarHBondContact CD1-O 3.32Å
293I86.1Confident81.7Confident4 Ų446.1 Ų46.12%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-102.6-28.5178.852.4160.2000113.1V281 H291 W498V281-I293 HydrophobicContact CB-CG1 4.25Å; V281-I293 HydrophobicContact CG1-CD1 3.85Å; V281-I293 HydrophobicContact CG1-CG1 3.98Å; V281-I293 WeakPolarHBondContact O-CG1 3.49Å; V281-I293 PolarHBondContact O-N 2.99Å; H291-I293 VanDerWaalsContact CD2-CG2 3.43Å; H291-I293 WeakPolarHBondContact CD2-CG2 3.38Å; H291-I293 VanDerWaalsContact NE2-CG2 3.3Å; H291-I293 WeakPolarHBondContact NE2-CG2 3.35Å; H291-I293 PolarHBondContact O-N 3.48Å; I293-W498 HydrophobicContact CB-CB 4.37Å; I293-W498 HydrophobicContact CB-CD2 4.02Å; I293-W498 HydrophobicContact CB-CG 3.78Å; I293-W498 HydrophobicContact CD1-CD2 3.52Å; I293-W498 HydrophobicContact CD1-CE3 3.5Å; I293-W498 VanDerWaalsContact CD1-CE3 3.5Å; I293-W498 HydrophobicContact CD1-CG 4.11Å; I293-W498 HydrophobicContact CD1-CH2 3.95Å; I293-W498 HydrophobicContact CD1-CZ2 3.97Å; I293-W498 HydrophobicContact CD1-CZ3 3.71Å; I293-W498 HydrophobicContact CG1-CD2 4.34Å; I293-W498 HydrophobicContact CG1-CG 4.47Å; I293-W498 HydrophobicContact CG2-CD2 4.38Å; I293-W498 HydrophobicContact CG2-CG 4.35Å; I293-W498 HydrophobicContact CG2-CZ2 4.4Å; I293-W498 PolarHBondContact O-N 3.09Å
294W89.7Confident81.9Confident17 Ų1748 Ų486%0.06428%0.277CS..EExtended strand (participates in β ladder)trans-156.3153.8-177.9-177.283.4000111.2V281 L292 S296 L429 W440 L442 C500V281-W294 HydrophobicContact CB-CB 4.45Å; V281-W294 HydrophobicContact CB-CE3 4.47Å; V281-W294 HydrophobicContact CG2-CE3 3.85Å; V281-W294 HydrophobicContact CG2-CZ3 4.35Å; V281-W294 PolarHBondContact N-O 3.12Å; V281-W294 PolarHBondContact O-N 3.45Å; L292-W294 WeakPolarHBondContact CD1-O 3.32Å; W294-S296 VanDerWaalsContact CH2-CA 3.49Å; W294-S296 VanDerWaalsContact CH2-CB 3.43Å; W294-L429 HydrophobicContact CE3-CD2 4.32Å; W294-L429 HydrophobicContact CH2-CD2 4.18Å; W294-L429 HydrophobicContact CZ3-CD2 3.51Å; W294-W440 HydrophobicContact CH2-CD2 4.09Å; W294-W440 HydrophobicContact CH2-CE3 4.49Å; W294-W440 HydrophobicContact CH2-CG 4.23Å; W294-W440 HydrophobicContact CZ2-CG 4.35Å; W294-L442 HydrophobicContact CB-CD1 4.16Å; W294-L442 HydrophobicContact CD2-CD1 3.94Å; W294-L442 HydrophobicContact CD2-CD2 3.66Å; W294-L442 HydrophobicContact CD2-CG 4.48Å; W294-L442 HydrophobicContact CE3-CD1 3.82Å; W294-L442 HydrophobicContact CE3-CD2 4.16Å; W294-L442 HydrophobicContact CG-CD1 4.13Å; W294-L442 HydrophobicContact CG-CD2 3.89Å; W294-L442 HydrophobicContact CH2-CD2 4.42Å; W294-L442 HydrophobicContact CZ2-CD2 4Å; W294-L442 HydrophobicContact CZ3-CD1 4.41Å; W294-C500 HydrophobicContact CZ2-CB 4.34Å; W294-C500 VanDerWaalsContact NE1-CB 3.3Å; W294-C500 PolarHBondContact NE1-SG 2.82Å
295L90.8Very high82.6Confident36 Ų3648.5 Ų48.519%0.18828%0.279CS..EExtended strand (participates in β ladder)trans-134.3133172.8-176.169.7000108.5F122 F131 V279F122-L295 HydrophobicContact CD1-CD2 4.49Å; F122-L295 HydrophobicContact CE1-CD1 4.37Å; F122-L295 HydrophobicContact CE1-CD2 4.26Å; F131-L295 HydrophobicContact CD2-CD2 4.48Å; V279-L295 CarbonylContact O-C 3.57Å; V279-L295 WeakPolarHBondContact O-CA 3.03Å
296S90.2Very high83.6Confident0 Ų043.9 Ų43.90%026%0.259CS..PPolyproline II helixtrans-70.9154.6-179.782.70000112.3F131 C278 V279 W294F131-S296 WeakPolarHBondContact CD2-O 3.38Å; F131-S296 WeakPolarHBondContact CE2-O 3.42Å; C278-S296 WeakPolarHBondContact CA-OG 3.5Å; V279-S296 PolarHBondContact N-OG 3.31Å; V279-S296 PolarHBondContact O-N 3.34Å; W294-S296 VanDerWaalsContact CH2-CA 3.49Å; W294-S296 VanDerWaalsContact CH2-CB 3.43Å
297P87.6Confident85.2Confident75 Ų7539.3 Ų39.349%0.48724%0.235SC..PPolyproline II helixtrans-54.7161.2157.3-21.633.5000111.6L299P297-L299 PolarHBondContact O-N 3.03Å
298I87.8Confident87Confident78 Ų7833.7 Ų33.740%0.420%0.198SC..PPolyproline II helixtrans-59.9131.9171.7-58178.1000109.4L124 F131 D277L124-I298 HydrophobicContact CD2-CD1 4.09Å; F131-I298 HydrophobicContact CD2-CG1 4.32Å; F131-I298 HydrophobicContact CE1-CD1 4.42Å; F131-I298 HydrophobicContact CE1-CG1 4.33Å; F131-I298 HydrophobicContact CE2-CD1 4.36Å; F131-I298 HydrophobicContact CE2-CG1 3.46Å; F131-I298 VanDerWaalsContact CE2-CG1 3.46Å; F131-I298 HydrophobicContact CZ-CD1 3.97Å; F131-I298 HydrophobicContact CZ-CG1 3.46Å; F131-I298 VanDerWaalsContact CZ-CG1 3.46Å; D277-I298 HydrophobicContact CB-CG2 4.49Å
299L91.5Very high88.3Confident8 Ų830.2 Ų30.24%0.04218%0.182CC..PPolyproline II helixtrans-97151.8177.6-56.9-178.7000109.9D277 P297 G301 I303 V431 V433 W440D277-L299 WeakPolarHBondContact O-CB 3.17Å; D277-L299 PolarHBondContact O-N 3.38Å; P297-L299 PolarHBondContact O-N 3.03Å; L299-G301 PolarHBondContact O-N 3.39Å; L299-I303 HydrophobicContact CD1-CD1 4.11Å; L299-I303 HydrophobicContact CD1-CG1 3.91Å; L299-V431 HydrophobicContact CD1-CB 4.49Å; L299-V431 HydrophobicContact CD1-CG1 3.77Å; L299-V433 HydrophobicContact CB-CG2 4.27Å; L299-V433 HydrophobicContact CD1-CG2 4.36Å; L299-W440 HydrophobicContact CD2-CH2 3.98Å; L299-W440 HydrophobicContact CD2-CZ2 4.47Å
300P90.2Very high88.6Confident105 Ų10529.7 Ų29.768%0.68218%0.176SC*.SBendtrans-75.311.9-167.432.2-38.1000114.9
301G88.9Confident87.7Confident19 Ų1936.2 Ų36.220%0.19621%0.205CC..SBendtrans176.5179.6-174.400000111.8L299L299-G301 PolarHBondContact O-N 3.39Å
302P89.1Confident86Confident94 Ų9438.8 Ų38.861%0.6122%0.221SC*.  trans-63142.8-179.727.5-35000111.8S276 D304S276-P302 WeakPolarHBondContact O-CA 3.18Å; P302-D304 PolarHBondContact O-N 3.5Å
303I92.6Very high83.3Confident13 Ų1340.4 Ų40.47%0.06723%0.233CC..  trans-78.1116.4179.2-62160.2000110.1L263 A274 S276 C278 V279 L299 I306 V431L263-I303 HydrophobicContact CD1-CG2 3.96Å; A274-I303 HydrophobicContact CB-CB 4.13Å; A274-I303 HydrophobicContact CB-CD1 3.8Å; A274-I303 HydrophobicContact CB-CG2 4.02Å; S276-I303 PolarHBondContact O-N 3.35Å; C278-I303 VanDerWaalsContact O-CD1 3.28Å; C278-I303 WeakPolarHBondContact O-CD1 3.19Å; V279-I303 HydrophobicContact CG2-CD1 3.62Å; L299-I303 HydrophobicContact CD1-CD1 4.11Å; L299-I303 HydrophobicContact CD1-CG1 3.91Å; I303-I306 HydrophobicContact CG2-CD1 4.34Å; I303-I306 HydrophobicContact CG2-CG1 3.96Å; I303-V431 HydrophobicContact CG1-CG1 4.18Å; I303-V431 HydrophobicContact CG2-CG1 3.59Å
304D90.8Very high80.6Confident50 Ų5046.3 Ų46.327%0.26727%0.265SS..  trans-86-42.9-179.2-75.3-58.5000112.6P302 A432 G434P302-D304 PolarHBondContact O-N 3.5Å; D304-A432 PolarHBondContact N-O 2.93Å; D304-G434 PolarHBondContact OD2-N 3.47Å
305R92.6Very high77.9Confident22 Ų2253.5 Ų53.58%0.08330%0.299CS..EExtended strand (participates in β ladder)trans-146150.3-178-59.7-66.4-179.6-86.5-3.8111.7V431 A432 V513 D514 L516R305-V431 WeakPolarHBondContact O-CA 3.39Å; R305-A432 HydrophobicContact CB-CB 4.2Å; R305-A432 PolarHBondContact N-O 2.78Å; R305-A432 PolarHBondContact O-N 3.03Å; R305-V513 HydrophobicContact CG-CG1 4.48Å; R305-V513 WeakPolarHBondContact CG-O 3.25Å; R305-D514 PolarHBondContact NE-O 2.88Å; R305-D514 PolarHBondContact NH2-O 2.91Å; R305-L516 HydrophobicContact CB-CB 3.8Å; R305-L516 HydrophobicContact CB-CD2 4.23Å; R305-L516 HydrophobicContact CG-CB 4.39Å
306I94.4Very high74.8Confident14 Ų1459.3 Ų59.37%0.07233%0.33CS..EExtended strand (participates in β ladder)trans-126.8142.7167.4-67.2-179.1000108.5L263 V265 A272 A274 V279 I303 L429 A430 V431L263-I306 HydrophobicContact CD1-CG1 4.45Å; V265-I306 HydrophobicContact CB-CG2 4.13Å; V265-I306 HydrophobicContact CG2-CB 3.89Å; V265-I306 HydrophobicContact CG2-CG2 3.97Å; A272-I306 HydrophobicContact CB-CG2 4.07Å; A274-I306 HydrophobicContact CB-CD1 3.77Å; V279-I306 HydrophobicContact CB-CD1 4.45Å; V279-I306 HydrophobicContact CG1-CD1 3.85Å; V279-I306 HydrophobicContact CG2-CD1 3.68Å; V279-I306 HydrophobicContact CG2-CG1 4.46Å; I303-I306 HydrophobicContact CG2-CD1 4.34Å; I303-I306 HydrophobicContact CG2-CG1 3.96Å; I306-L429 HydrophobicContact CG2-CD1 3.72Å; I306-A430 CarbonylContact C-O 3.55Å; I306-A430 WeakPolarHBondContact CA-O 3.09Å; I306-V431 HydrophobicContact CG1-CG1 4.21Å; I306-V431 HydrophobicContact CG1-CG2 4.3Å
307A94Very high71.8Confident6 Ų662.5 Ų62.55%0.0535%0.353CS..EExtended strand (participates in β ladder)trans-124.5143.1159.200000109.5A430 L516 F518A307-A430 HydrophobicContact CB-CB 4.33Å; A307-A430 PolarHBondContact N-O 3.46Å; A307-A430 PolarHBondContact O-N 3.45Å; A307-L516 HydrophobicContact CB-CD2 4.29Å; A307-L516 HydrophobicContact CB-CG 4.06Å; A307-F518 HydrophobicContact CB-CD2 3.8Å; A307-F518 HydrophobicContact CB-CE2 3.8Å
308L92.7Very high68.8Low12 Ų1268.4 Ų68.46%0.06337%0.371CS..EExtended strand (participates in β ladder)trans-134.6137.4-178.4178.368.6000109V265 H267 I270 A272 C427 T428 L429V265-L308 HydrophobicContact CG1-CB 3.98Å; H267-L308 HydrophobicContact CB-CD2 4.15Å; H267-L308 HydrophobicContact CB-CG 4.13Å; I270-L308 HydrophobicContact CB-CD2 4.33Å; I270-L308 HydrophobicContact CG2-CD1 4.33Å; I270-L308 HydrophobicContact CG2-CD2 4.03Å; A272-L308 HydrophobicContact CB-CD2 4.14Å; L308-C427 HydrophobicContact CD1-CB 4.3Å; L308-T428 WeakPolarHBondContact CA-O 3.47Å; L308-L429 HydrophobicContact CD1-CD1 4.17Å
309T89.3Confident65.7Low20 Ų2070.3 Ų70.312%0.12339%0.391CS..EExtended strand (participates in β ladder)trans-142.2144.2168.4-176.60000111.3C427 T428 F518T309-C427 CarbonylContact O-C 3.51Å; T309-C427 VanDerWaalsContact O-CA 3.27Å; T309-C427 WeakPolarHBondContact O-CA 3.5Å; T309-C427 VanDerWaalsContact O-CB 3.25Å; T309-C427 WeakPolarHBondContact O-CB 3.34Å; T309-T428 PolarHBondContact N-O 3.39Å; T309-T428 PolarHBondContact O-N 3.18Å; T309-F518 HydrophobicContact CG2-CB 4.17Å; T309-F518 HydrophobicContact CG2-CD1 3.89Å; T309-F518 HydrophobicContact CG2-CD2 3.57Å; T309-F518 HydrophobicContact CG2-CE1 4.16Å; T309-F518 HydrophobicContact CG2-CE2 3.86Å; T309-F518 HydrophobicContact CG2-CG 3.6Å; T309-F518 HydrophobicContact CG2-CZ 4.16Å
310G75.4Confident62.6Low8 Ų875.5 Ų75.58%0.08243%0.425CS..EExtended strand (participates in β ladder)trans-102.5140.817900000111.1H267H267-G310 PolarHBondContact CE1-N 3.35Å; H267-G310 PolarHBondContact ND1-N 2.56Å
311K62.8Low59.6Low148 Ų14876.7 Ų76.764%0.64343%0.426SS*.SBendtrans74.7108.2-168.3-51.2169.8-171.8173.50112.6G426K311-G426 WeakPolarHBondContact CA-O 3.44Å; K311-G426 PolarHBondContact N-O 3.44Å
312T41.9Very low56.7Low63 Ų6382.2 Ų82.239%0.38746%0.458SS..  trans-67.715616637.40000110.9Y441T312-Y441 HydrophobicContact CG2-CD1 3.56Å; T312-Y441 HydrophobicContact CG2-CE1 3.86Å; T312-Y441 HydrophobicContact CG2-CG 4.06Å
313P30.5Very low53.8Low57 Ų5783 Ų8337%0.3746%0.462SS..  trans-70.7142.5-17027.6-35.6000113.3Q315 A521 V537P313-Q315 PolarHBondContact O-N 3.27Å; P313-A521 HydrophobicContact CB-CB 4.28Å; P313-V537 HydrophobicContact CG-CG1 4.04Å
314N29.7Very low50.7Low128 Ų12891.1 Ų91.168%0.68450%0.499SS*.  trans-57109.4165.1-95.36.6000110.1S317N314-S317 PolarHBondContact ND2-OG 3.2Å
315Q34.1Very low47.6Very low167 Ų16795 Ų9578%0.7853%0.527SS*.SBendtrans-75.2-13.7163.8-73.5-165.7-22.900112.5P313P313-Q315 PolarHBondContact O-N 3.27Å
316N25.2Very low44.4Very low159 Ų15996.9 Ų96.985%0.8555%0.553SS**SBendtrans-112.352.6-175.3-70.7-18.9000113.9
317S25.9Very low41.2Very low67 Ų67104.6 Ų104.647%0.46959%0.593SS.*SBendtrans-155.725.1168.371.20000117.4N314N314-S317 PolarHBondContact ND2-OG 3.2Å
318F25.2Very low37.9Very low199 Ų199111 Ų11187%0.87363%0.625SS**  trans-139.294.6171.2-81.6-75.9000112.1
319S23.8Very low34.6Very low117 Ų117116.6 Ų116.682%0.81866%0.66SS**  trans-84.5137.9168.7-171.90000110.3
320P26.5Very low31.6Very low117 Ų117122.3 Ų122.376%0.7670%0.695SS**  trans-76.7124.5-179.229.9-33.8000112.9
321N26.6Very low29.3Very low131 Ų131126.2 Ų126.270%0.70172%0.721SS**  trans45115.4164.1-82.6-3.4000120.3T323N321-T323 PolarHBondContact O-N 3.29Å
322P27.1Very low27.6Very low134 Ų134126.1 Ų126.187%0.8773%0.727SS**  trans-81.278.1164.234.7-33.3000111.4
323T27.9Very low26.9Very low112 Ų112132.9 Ų132.969%0.68775%0.751SS**  trans-135.261.317955.30000114.4N321N321-T323 PolarHBondContact O-N 3.29Å
324Q28.2Very low26.8Very low183 Ų183135.3 Ų135.386%0.85577%0.767SS**  trans-154.6122.4155.1-131.8176.214.100111.5
325P25.5Very low26.6Very low130 Ų130137.7 Ų137.784%0.84478%0.779SS**  trans-98.8129.1174.234.5-29.3000112.2
326G25.6Very low26.2Very low62 Ų62137.3 Ų137.364%0.63978%0.782SS**  trans80.3147.7-176.500000112.6
327I27.5Very low26.3Very low177 Ų177133.1 Ų133.191%0.90877%0.77SS**  cis-129168.622.8-80.2168.7000111.9
328I24Very low26.3Very low141 Ų141136 Ų13672%0.72379%0.785SS**  trans-91.7154.8-171.4-62.2158.9000111.3
329T24.1Very low26.3Very low129 Ų129133.9 Ų133.979%0.79178%0.779SS**  trans65.3160172.443.70000115.6
330T27.4Very low26.5Very low139 Ų139134.9 Ų134.985%0.85378%0.776SS**  cis-126.7172.820.147.10000114.9
331S26.6Very low26.5Very low91 Ų91134.1 Ų134.164%0.63677%0.773SS**  trans-113.3155.1-177.354.30000112.4
332L26.7Very low26.6Very low146 Ų146132.6 Ų132.676%0.76477%0.772SS**  trans66.7147.6161-60.6159.2000117.9
333F26.5Very low26.6Very low205 Ų205132.9 Ų132.990%0.89977%0.767SS**  -160.7132.1110.7-88.5-61.8000109.8
334P29.4Very low26.8Very low108 Ų108135 Ų13570%0.70177%0.772SS**  trans-88.4153.5170.935.4-32.8000111.3
335L24.8Very low26.8Very low177 Ų177133.3 Ų133.393%0.92777%0.769SS**  trans-104.9110.4167-82.4169.2000110.1
336N25.8Very low27.3Very low159 Ų159132.6 Ų132.685%0.8576%0.764SS**  -163158.4121.5-132.3-23000114.6
337A26.9Very low27.4Very low72 Ų72136.1 Ų136.160%0.59577%0.773SS**  trans60.9102.7152.900000121.1
338T25.7Very low27.3Very low128 Ų128130.9 Ų130.979%0.78576%0.763SS**  trans73.9129.6131.845.50000123.5
339M26.5Very low27.6Very low154 Ų154129.3 Ų129.376%0.75976%0.764SS**  trans73.295.3142.7-65.5-62.6175.900120.9
340N26.5Very low27.8Very low138 Ų138130.5 Ų130.574%0.73877%0.766SS**  80.4135.7125.6-71.2-5.2000122.9
341S27.9Very low28Very low100 Ų100128.4 Ų128.470%0.69976%0.757SS**  trans62.691142.559.60000119.9
342S28.5Very low28.5Very low99 Ų99129.6 Ų129.669%0.69276%0.761SS**  86.7135.3108.975.30000121.1
343N27.6Very low28.9Very low141 Ų141129.4 Ų129.475%0.75476%0.76SS**  trans87.7132.6133.3-77.3-5.3000121.9
344I30.9Very low29.3Very low156 Ų156125.4 Ų125.480%0.875%0.752SS**  trans91.1119.5145.5-68.4158.9000118.5
345N27.9Very low29.6Very low148 Ų148123.4 Ų123.479%0.79175%0.751SS**  trans-80.2-170.3167.2-65.1-40.5000110.6
346P37.4Very low30.1Very low114 Ų114121.5 Ų121.574%0.7474%0.741SS**  -125.8-134-54.335.9-18.1000109.4
347V26.1Very low30.5Very low137 Ų137120.4 Ų120.483%0.8373%0.733SS**  trans78.7126.3170.8-168.80000114.9
348G26.8Very low30.7Very low67 Ų67122.8 Ų122.869%0.69174%0.736SS**  trans-108.7-166176.600000112.7
349S28.7Very low30.9Very low108 Ų108124 Ų12476%0.75574%0.738SS**  trans-168.3143.4159.737.70000113.2
350N28.1Very low31.1Very low153 Ų153120.6 Ų120.682%0.81874%0.743SS**  trans13.2150.8136.5-40.4-25000118.4
351S32.6Very low31.3Very low95 Ų95119 Ų11966%0.66474%0.742SS**  cis-179.8172.449.352.80000114
352T37Very low31.4Very low117 Ų117120.4 Ų120.472%0.71874%0.742SS**  trans70.1141.5163.667.80000117.3
353N35.6Very low31.5Very low142 Ų142121.6 Ų121.676%0.75974%0.74SS**  cis-167.9164.6-7.4-107.3-1000107.2
354V35.4Very low31.6Very low120 Ų120120.7 Ų120.773%0.72774%0.736SS**  cis-166.7154.4-23.2115.10000104.4
355G35.2Very low31.7Very low66 Ų66119.6 Ų119.668%0.6873%0.731SS**  cis-166.7-161.42.200000107.6
356I34.2Very low31.9Very low137 Ų137119.1 Ų119.170%0.70373%0.729SS**  cis-160132.92.1-122162.2000108.1
357I34.3Very low31.6Very low136 Ų136118 Ų11870%0.69772%0.724SS**  trans50136.5141.3-57.9173.4000120.1
358N31.3Very low31.8Very low123 Ų123118.5 Ų118.566%0.65872%0.722SS**  cis-171.1161.2-19.2-101.8-11.4000110.2
359N30.3Very low32.1Very low152 Ų152120.3 Ų120.381%0.81372%0.724SS**  trans35.1126.1143.5-53.1-12.2000121.7
360G31.5Very low32.2Very low84 Ų84120.1 Ų120.187%0.86672%0.723SS**  trans-164.9116160.700000111.9
361S29.5Very low32.2Very low105 Ų105119.1 Ų119.173%0.73472%0.717SS**  trans-94.4165.6-170-154.10000113.9
362N29.7Very low32.2Very low129 Ų129122.1 Ų122.169%0.6972%0.721SS**  trans86.2131.8150.4-65.7-1.1000121.8
363N30.6Very low32Very low123 Ų123121.4 Ų121.466%0.65872%0.718SS**  trans82.6113.6134.6-67.14.4000122.6
364N30.6Very low31.7Very low123 Ų123122.3 Ų122.366%0.65872%0.721SS**  87118.9120.7-66.12.5000122.2
365N32.2Very low31.4Very low132 Ų132120.9 Ų120.971%0.70672%0.717SS**  trans89.6129.5130.2-63.9-1.5000122.1
366N32.8Very low31Very low139 Ų139124.7 Ų124.774%0.74372%0.721SS**  trans78.191.8136.4-67.45.1000122
367S31.8Very low30.8Very low91 Ų91125.1 Ų125.164%0.63673%0.725SS**  80.5120.5107.172.90000122.8
368N30.8Very low30.5Very low147 Ų147124.7 Ų124.779%0.78673%0.729SS**  trans89.4140.8130-67.4-4.6000122.9
369S31.2Very low30.3Very low104 Ų104127.1 Ų127.173%0.72774%0.738SS**  trans59.9105.1153.341.30000118.3
370S30.6Very low30.1Very low105 Ų105127.3 Ų127.373%0.73474%0.739SS**  79.6141.872.778.10000113.9
371N30.1Very low29.9Very low132 Ų132128 Ų12871%0.70673%0.731SS**  cis-162.4158.412.9-142.8-26.2000113
372Q32.5Very low29.8Very low158 Ų158128.6 Ų128.674%0.73874%0.735SS**  trans74.6133162.5-59-59-61.600122.3
373P32.8Very low29.8Very low102 Ų102131 Ų13166%0.66274%0.739SS**  trans-96.1174.7172.440.6-35.6000112.7
374I28.9Very low29.6Very low160 Ų160132.5 Ų132.582%0.82175%0.748SS**  cis92.7121.122.8-57.5177.5000116.4
375S29.2Very low29.7Very low91 Ų91133.1 Ų133.164%0.63676%0.756SS**  trans-34.5153.9-178.961.50000124.4
376N26.9Very low29.5Very low145 Ų145134 Ų13478%0.77576%0.761SS**  trans51.9150.3133.2-65.4-0.7000123.9
377N30Very low29.6Very low146 Ų146132.9 Ų132.978%0.78176%0.764SS**  trans85.9105.9155.8-63.7-16000121
378V27.7Very low29.5Very low127 Ų127135.3 Ų135.377%0.7777%0.769SS**  trans35.4105.8131.8-169.10000119
379M26.7Very low29.4Very low175 Ų175138.2 Ų138.286%0.86278%0.775SS**  -170.7171.5125.7-113.8177.1-77.100114.7
380N25.7Very low29.5Very low156 Ų156138.2 Ų138.283%0.83477%0.773SS**  trans-47.9146.6-178.7-61.2-43.4000116
381S28.3Very low29.5Very low99 Ų99139.8 Ų139.869%0.69278%0.779SS**  trans-158.3139.9137.643.40000113
382S26.6Very low29.2Very low117 Ų117140.5 Ų140.582%0.81878%0.782SS**  trans-92.3150.8166.950.20000110
383F30.3Very low29.1Very low178 Ų178141 Ų14178%0.78179%0.789SS**  trans-125.3110.9175-86.7-83.5000112.8
384N26.3Very low28.8Very low156 Ų156140.6 Ų140.683%0.83479%0.789SS**  trans-78.6155.2153.4-90.5-24.1000109.5
385T32.3Very low28.8Very low135 Ų135138 Ų13883%0.82878%0.784SS**  trans-135.296.6167.756.50000110.8
386N27.5Very low28.9Very low151 Ų151142.3 Ų142.381%0.80780%0.795SS**  trans-85.7152.4163.4-81.3-4.7000110.2
387S35.6Very low28.9Very low115 Ų115142.4 Ų142.480%0.80480%0.795SS**  trans-135.2108166.7580000109.6
388N29Very low29Very low142 Ų142142.6 Ų142.676%0.75980%0.802SS**  trans-84146.5179.4-67.5-8.8000111.3
389F30.3Very low29Very low208 Ų208142.5 Ų142.591%0.91280%0.802SS**  trans-138.1136.5151.8-91.2-80.4000109
390P32.8Very low29.4Very low104 Ų104139.4 Ų139.468%0.67580%0.797SS**  trans-106155.6-175.838.7-33.4000113.6
391T29.5Very low29.5Very low139 Ų139140 Ų14085%0.85380%0.795SS**  179.8166115.727.10000112.6
392N25.1Very low29.5Very low146 Ų146140.9 Ų140.978%0.78179%0.792SS**  trans-75.9152.4-170.6-45.1-61.8000114.4
393L29.4Very low29.7Very low170 Ų170141.2 Ų141.289%0.8978%0.784SS**  -162.3-175.6106.8-127.470.8000111.5
394S27.3Very low29.6Very low93 Ų93141 Ų14165%0.6579%0.786SS**  trans-138147.4-146.956.70000117.6
395S28.5Very low29.8Very low104 Ų104138.5 Ų138.573%0.72779%0.786SS**  trans68.4155.2153.674.10000116.8
396Q31.5Very low29.7Very low183 Ų183137.5 Ų137.586%0.85579%0.785SS**  cis-140.3175.327.5-66.6-177.3-9.600114.4
397N26.3Very low29.9Very low147 Ų147136.5 Ų136.579%0.78678%0.784SS**  trans-86.1165.9175.1-59.1-41.7000112.9
398T31.7Very low29.7Very low150 Ų150136.5 Ų136.592%0.9278%0.784SS**  trans-157.3161.9133.4-1.40000111.5
399T28.7Very low29.8Very low124 Ų124133.2 Ų133.276%0.76179%0.785SS**  trans-142140.6-159.349.40000114.7
400S34Very low30Very low111 Ų111129.2 Ų129.278%0.77678%0.779SS**  trans-166.7135.7144.3340000108.4
401Q28.9Very low29.8Very low167 Ų167131.2 Ų131.278%0.7878%0.784SS**  cis73.8136.150-69.8-1620.500113
402L27.4Very low29.8Very low119 Ų119132.6 Ų132.662%0.62379%0.787SS**  cis-158.2173.810-121.7168.2000112
403N31.2Very low29.9Very low124 Ų124133 Ų13366%0.66379%0.788SS**  trans73.1154.3157.6-69-24.1000121.1
404Q28.6Very low29.8Very low173 Ų173129 Ų12981%0.80877%0.772SS**  cis172.9133.5-41.4-111.6-17730.200108.7
405A31Very low29.6Very low103 Ų103129.1 Ų129.185%0.85177%0.773SS**  trans179.9144.1141.800000109.6
406S29.7Very low29.4Very low115 Ų115130.3 Ų130.380%0.80478%0.776SS**  trans-160.3158.2-173.757.70000113.5
407T32.4Very low29.1Very low129 Ų129128.6 Ų128.679%0.79177%0.771SS**  trans-171105.1159.320.50000107.7
408S31.2Very low28.9Very low115 Ų115129.8 Ų129.880%0.80478%0.777SS**  67.5128.987.369.40000114.5
409G30.7Very low28.6Very low74 Ų74126.9 Ų126.976%0.76376%0.763SS**  cis159.5-1693.100000108.6
410P34.7Very low28.3Very low124 Ų124127.5 Ų127.581%0.80577%0.772SS**  cis-134.7169-21.541.5-24.7000115.8
411N27.1Very low27.9Very low146 Ų146126.6 Ų126.678%0.78177%0.766SS**  trans-24.6146.3169.7-45.6-25.4000121.6
412N30.5Very low27.8Very low168 Ų168124.8 Ų124.890%0.89877%0.772SS**  -164.1155.7117.5-102.1-30.7000113.2
413L26.4Very low28.2Very low153 Ų153124.5 Ų124.580%0.80178%0.78SS**  trans-101.1157.4-178.3-120.685.6000111.7
414P27.3Very low28.7Very low88 Ų88123.8 Ų123.857%0.57178%0.783SS**  -142.3179.489.339.9-25.3000115Y455P414-Y455 HydrophobicContact CG-CE1 4.4Å
415S24.2Very low30.2Very low94 Ų94117.7 Ų117.766%0.65777%0.767SS**  trans-107178-178.255.20000113
416V24.1Very low32.4Very low130 Ų130113 Ų11379%0.78873%0.729SS**  trans76.1106.9172-165.30000116.2
417I25.3Very low35.3Very low146 Ų146107.6 Ų107.675%0.74969%0.691SS**  -173.9129.4121.7-94.1156.1000108.5S419I417-S419 PolarHBondContact O-N 3.13Å
418N22.4Very low38.2Very low172 Ų172101.8 Ų101.892%0.9266%0.655SS**  trans-72.7119.9167.8-78.2-28.6000109.2
419S24.3Very low41.2Very low90 Ų9096.3 Ų96.363%0.62962%0.617SS**  trans-131.9102.8171.253.10000111.2I417 S421I417-S419 PolarHBondContact O-N 3.13Å; S419-S421 PolarHBondContact O-N 2.85Å; S419-S421 PolarHBondContact O-OG 3Å
420S23.2Very low44.3Very low136 Ų13692.8 Ų92.895%0.95158%0.58SS**  trans-66.396.4172.552.20000109.9
421S26Very low47.3Very low92 Ų9287 Ų8764%0.64354%0.543SS*.  trans-131.4151-178.154.70000110.9S419 S423S419-S421 PolarHBondContact O-N 2.85Å; S419-S421 PolarHBondContact O-OG 3Å; S421-S423 PolarHBondContact O-N 3.33Å
422S26.7Very low50.5Low129 Ų12980 Ų8090%0.90251%0.506SS*.  trans-75.7118.7-169.352.70000112.7
423S34.2Very low53.6Low113 Ų11373.3 Ų73.379%0.7947%0.47SS*.  trans-141143.517654.40000112.6S421 G425S421-S423 PolarHBondContact O-N 3.33Å; S423-G425 PolarHBondContact O-N 2.94Å; S423-G425 VanDerWaalsContact O-N 3.11Å
424C42.1Very low56.7Low110 Ų11067.5 Ų67.574%0.74345%0.448SS*.  trans-43103.5-173.4-76.30000116.2G426 P444C424-G426 PolarHBondContact O-N 3.46Å; C424-P444 HydrophobicContact CB-CG 3.52Å
425G60.7Low59.9Low44 Ų4464.4 Ų64.445%0.45443%0.428SS..  trans-81.8112.7171.600000112.8S423S423-G425 PolarHBondContact O-N 2.94Å; S423-G425 VanDerWaalsContact O-N 3.11Å
426G78.3Confident63.4Low6 Ų661.9 Ų61.96%0.06241%0.409CS..  trans-72.1178168.300000113.4K311 C424 L442K311-G426 WeakPolarHBondContact CA-O 3.44Å; K311-G426 PolarHBondContact N-O 3.44Å; C424-G426 PolarHBondContact O-N 3.46Å; G426-L442 CarbonylContact C-O 3.52Å; G426-L442 VanDerWaalsContact CA-O 3.24Å; G426-L442 WeakPolarHBondContact CA-O 3.29Å
427C89.8Confident66.8Low0 Ų055.7 Ų55.70%037%0.371CS..EExtended strand (participates in β ladder)trans-133.7162177.964.80000113.1I270 L308 T309 L442I270-C427 HydrophobicContact CD1-CB 3.65Å; L308-C427 HydrophobicContact CD1-CB 4.3Å; T309-C427 CarbonylContact O-C 3.51Å; T309-C427 VanDerWaalsContact O-CA 3.27Å; T309-C427 WeakPolarHBondContact O-CA 3.5Å; T309-C427 VanDerWaalsContact O-CB 3.25Å; T309-C427 WeakPolarHBondContact O-CB 3.34Å; C427-L442 PolarHBondContact N-O 3.5Å; C427-L442 PolarHBondContact O-N 2.79Å
428T92.5Very high70.2Confident7 Ų751.8 Ų51.84%0.04335%0.347CS..EExtended strand (participates in β ladder)trans-114.1128.1173.9-48.60000108.9L308 T309 L439 W440 Y441 F518L308-T428 WeakPolarHBondContact CA-O 3.47Å; T309-T428 PolarHBondContact N-O 3.39Å; T309-T428 PolarHBondContact O-N 3.18Å; T428-L439 HydrophobicContact CG2-CD1 3.5Å; T428-L439 VanDerWaalsContact CG2-CD1 3.5Å; T428-L439 HydrophobicContact CG2-CG 4.35Å; T428-W440 WeakPolarHBondContact CA-O 3.37Å; T428-Y441 HydrophobicContact CG2-CD1 3.68Å; T428-Y441 HydrophobicContact CG2-CE1 3.65Å; T428-Y441 WeakPolarHBondContact OG1-CD1 3.38Å; T428-Y441 WeakPolarHBondContact OG1-CE1 3.47Å; T428-F518 HydrophobicContact CG2-CE1 3.87Å; T428-F518 HydrophobicContact CG2-CE2 4.48Å; T428-F518 HydrophobicContact CG2-CZ 3.55Å
429L95.1Very high73.6Confident0 Ų043.6 Ų43.60%030%0.303CS..EExtended strand (participates in β ladder)trans-117.9124.7179.1179.876000109.6A272 V279 V281 W294 I306 L308 V431 L439 W440A272-L429 HydrophobicContact CB-CD1 3.7Å; V279-L429 HydrophobicContact CB-CD2 4.49Å; V279-L429 HydrophobicContact CG1-CD1 4.43Å; V279-L429 HydrophobicContact CG1-CD2 4.05Å; V281-L429 HydrophobicContact CG2-CD1 4.4Å; V281-L429 HydrophobicContact CG2-CD2 3.94Å; W294-L429 HydrophobicContact CE3-CD2 4.32Å; W294-L429 HydrophobicContact CH2-CD2 4.18Å; W294-L429 HydrophobicContact CZ3-CD2 3.51Å; I306-L429 HydrophobicContact CG2-CD1 3.72Å; L308-L429 HydrophobicContact CD1-CD1 4.17Å; L429-V431 HydrophobicContact CD1-CG2 4.43Å; L429-V431 HydrophobicContact CD2-CG2 3.98Å; L429-V431 HydrophobicContact CG-CG2 3.95Å; L429-L439 WeakPolarHBondContact O-CA 3.31Å; L429-W440 HydrophobicContact CD2-CE3 4.38Å; L429-W440 PolarHBondContact N-O 3.18Å; L429-W440 PolarHBondContact O-N 3.5Å
430A96.1Very high76.9Confident0 Ų039.8 Ų39.80%028%0.275CS..EExtended strand (participates in β ladder)trans-113.1136.8168.700000110.1I306 A307 R438 L439 L516 F518 L523I306-A430 CarbonylContact C-O 3.55Å; I306-A430 WeakPolarHBondContact CA-O 3.09Å; A307-A430 HydrophobicContact CB-CB 4.33Å; A307-A430 PolarHBondContact N-O 3.46Å; A307-A430 PolarHBondContact O-N 3.45Å; A430-R438 CarbonylContact C-O 3.57Å; A430-R438 WeakPolarHBondContact CA-O 3.44Å; A430-L439 HydrophobicContact CB-CD1 3.9Å; A430-L516 HydrophobicContact CB-CD2 3.98Å; A430-F518 HydrophobicContact CB-CE2 4.24Å; A430-F518 HydrophobicContact CB-CZ 3.97Å; A430-L523 HydrophobicContact CB-CD1 3.53Å; A430-L523 HydrophobicContact CB-CD2 4.03Å; A430-L523 HydrophobicContact CB-CG 4.45Å
431V96.4Very high80.2Confident3 Ų335.2 Ų35.22%0.01824%0.237CC..EExtended strand (participates in β ladder)trans-133.3131.4-179.8-170.80000109.1V279 L299 I303 R305 I306 L429 I437 R438 W440V279-V431 HydrophobicContact CG2-CG1 4.13Å; V279-V431 HydrophobicContact CG2-CG2 3.91Å; L299-V431 HydrophobicContact CD1-CB 4.49Å; L299-V431 HydrophobicContact CD1-CG1 3.77Å; I303-V431 HydrophobicContact CG1-CG1 4.18Å; I303-V431 HydrophobicContact CG2-CG1 3.59Å; R305-V431 WeakPolarHBondContact O-CA 3.39Å; I306-V431 HydrophobicContact CG1-CG1 4.21Å; I306-V431 HydrophobicContact CG1-CG2 4.3Å; L429-V431 HydrophobicContact CD1-CG2 4.43Å; L429-V431 HydrophobicContact CD2-CG2 3.98Å; L429-V431 HydrophobicContact CG-CG2 3.95Å; V431-I437 CarbonylContact O-C 3.5Å; V431-I437 WeakPolarHBondContact O-CA 3.43Å; V431-R438 PolarHBondContact N-O 3.25Å; V431-R438 PolarHBondContact O-N 3.11Å; V431-W440 HydrophobicContact CB-CZ3 3.97Å; V431-W440 HydrophobicContact CG2-CE3 4.38Å; V431-W440 HydrophobicContact CG2-CZ3 3.7Å
432A95.8Very high83.3Confident0 Ų030.9 Ų30.90%021%0.207CC..EExtended strand (participates in β ladder)trans-109.3139.3175.800000112.2D304 R305 T436 I437 V513 L516D304-A432 PolarHBondContact N-O 2.93Å; R305-A432 HydrophobicContact CB-CB 4.2Å; R305-A432 PolarHBondContact N-O 2.78Å; R305-A432 PolarHBondContact O-N 3.03Å; A432-T436 WeakPolarHBondContact CA-O 3.47Å; A432-I437 HydrophobicContact CB-CG1 4.18Å; A432-V513 HydrophobicContact CB-CB 3.82Å; A432-V513 HydrophobicContact CB-CG1 3.87Å; A432-V513 HydrophobicContact CB-CG2 4.05Å; A432-L516 HydrophobicContact CB-CD2 4.14Å
433V94.7Very high86.1Confident26 Ų2629.5 Ų29.516%0.15818%0.183CC..EExtended strand (participates in β ladder)trans-133.9110.2173175.70000106.7L299 S435 T436L299-V433 HydrophobicContact CB-CG2 4.27Å; L299-V433 HydrophobicContact CD1-CG2 4.36Å; V433-S435 PolarHBondContact O-N 3.13Å; V433-T436 PolarHBondContact N-O 2.84Å; V433-T436 PolarHBondContact O-N 3.48Å
434G92Very high88.3Confident31 Ų3125.4 Ų25.432%0.3215%0.153SC..THydrogen-bonded Turntrans60.6-114.2-171.300000112.4D304 V513D304-G434 PolarHBondContact OD2-N 3.47Å; G434-V513 PolarHBondContact O-N 3.33Å
435S94.3Very high89.4Confident23 Ų2322.1 Ų22.116%0.16113%0.131CC..THydrogen-bonded Turntrans-94.8-14.6175.163.80000114.2V433 D507 L508 R511V433-S435 PolarHBondContact O-N 3.13Å; S435-D507 WeakPolarHBondContact CB-OD1 3.47Å; S435-D507 WeakPolarHBondContact O-CA 3.49Å; S435-D507 PolarHBondContact OG-OD1 3.45Å; S435-L508 PolarHBondContact O-N 2.88Å; S435-R511 WeakPolarHBondContact CA-O 3.34Å; S435-R511 WeakPolarHBondContact CB-O 3.44Å
436T96.5Very high89.1Confident41 Ų4124.9 Ų24.925%0.25214%0.143SC..EExtended strand (participates in β ladder)trans-89.8129.3-173-64.60000110.8A432 V433 Q505 Y506A432-T436 WeakPolarHBondContact CA-O 3.47Å; V433-T436 PolarHBondContact N-O 2.84Å; V433-T436 PolarHBondContact O-N 3.48Å; T436-Q505 HydrophobicContact CG2-CG 3.53Å; T436-Y506 CarbonylContact C-O 3.54Å; T436-Y506 WeakPolarHBondContact CA-O 3.44Å
437I97.1Very high87.2Confident0 Ų027.8 Ų27.80%017%0.173CC..EExtended strand (participates in β ladder)trans-113.8128.6177.3-54.3157.3000107.9V431 A432 Q505 Y506 V513 L516 L523 A525 W542V431-I437 CarbonylContact O-C 3.5Å; V431-I437 WeakPolarHBondContact O-CA 3.43Å; A432-I437 HydrophobicContact CB-CG1 4.18Å; I437-Q505 CarbonylContact O-C 3.57Å; I437-Q505 WeakPolarHBondContact O-CA 3.35Å; I437-Y506 PolarHBondContact N-O 2.89Å; I437-Y506 PolarHBondContact O-N 3.27Å; I437-V513 HydrophobicContact CD1-CG2 3.98Å; I437-V513 HydrophobicContact CG1-CG2 3.78Å; I437-L516 HydrophobicContact CD1-CD1 4.14Å; I437-L516 HydrophobicContact CG1-CD1 4.31Å; I437-L516 HydrophobicContact CG2-CD1 4.03Å; I437-L516 HydrophobicContact CG2-CD2 4.48Å; I437-L523 HydrophobicContact CG2-CD2 4.13Å; I437-A525 HydrophobicContact CD1-CB 3.48Å; I437-A525 VanDerWaalsContact CD1-CB 3.48Å; I437-W542 HydrophobicContact CD1-CH2 3.68Å; I437-W542 HydrophobicContact CD1-CZ2 3.64Å
438R95.5Very high84.3Confident64 Ų6435.3 Ų35.324%0.24221%0.213CC..EExtended strand (participates in β ladder)trans-110.1142.2170.5-71.6178.6174173.4-2.4110.1A430 V431 W440 Q505A430-R438 CarbonylContact C-O 3.57Å; A430-R438 WeakPolarHBondContact CA-O 3.44Å; V431-R438 PolarHBondContact N-O 3.25Å; V431-R438 PolarHBondContact O-N 3.11Å; R438-W440 HydrophobicContact CB-CE3 4.21Å; R438-W440 HydrophobicContact CB-CH2 3.26Å; R438-W440 HydrophobicContact CB-CZ2 3.88Å; R438-W440 HydrophobicContact CB-CZ3 3.43Å; R438-W440 VanDerWaalsContact CB-CZ3 3.43Å; R438-W440 HydrophobicContact CG-CH2 4.11Å; R438-Q505 HydrophobicContact CG-CB 4.34Å; R438-Q505 HydrophobicContact CG-CG 3.91Å; R438-Q505 VanDerWaalsContact NH2-OE1 3.09Å
439L95.1Very high81.1Confident0 Ų043.3 Ų43.30%025%0.253CS..EExtended strand (participates in β ladder)trans-125.9130.7-176.2-17765.5000110.6T428 L429 A430 M502 V503 G504 Y506 F518 L523 R535T428-L439 HydrophobicContact CG2-CD1 3.5Å; T428-L439 VanDerWaalsContact CG2-CD1 3.5Å; T428-L439 HydrophobicContact CG2-CG 4.35Å; L429-L439 WeakPolarHBondContact O-CA 3.31Å; A430-L439 HydrophobicContact CB-CD1 3.9Å; L439-M502 CarbonylContact O-C 3.58Å; L439-V503 HydrophobicContact CB-CB 4.39Å; L439-V503 HydrophobicContact CD2-CB 3.97Å; L439-V503 HydrophobicContact CD2-CG1 4.2Å; L439-V503 HydrophobicContact CG-CB 4Å; L439-V503 HydrophobicContact CG-CG2 4.2Å; L439-V503 PolarHBondContact O-N 2.87Å; L439-G504 PolarHBondContact N-O 2.86Å; L439-Y506 HydrophobicContact CB-CE2 4.15Å; L439-Y506 HydrophobicContact CD2-CE2 4.02Å; L439-F518 HydrophobicContact CD1-CE1 4.34Å; L439-F518 HydrophobicContact CD1-CZ 3.94Å; L439-L523 HydrophobicContact CD1-CD2 4.2Å; L439-L523 HydrophobicContact CD2-CD2 4.4Å; L439-R535 VanDerWaalsContact CD2-CZ 3.41Å
440W93.7Very high77.7Confident11 Ų1148.1 Ų48.14%0.04229%0.287CS..EExtended strand (participates in β ladder)trans-126.8143.9175.2-62.6-92.9000112.1W294 L299 T428 L429 V431 R438 L442 E501W294-W440 HydrophobicContact CH2-CD2 4.09Å; W294-W440 HydrophobicContact CH2-CE3 4.49Å; W294-W440 HydrophobicContact CH2-CG 4.23Å; W294-W440 HydrophobicContact CZ2-CG 4.35Å; L299-W440 HydrophobicContact CD2-CH2 3.98Å; L299-W440 HydrophobicContact CD2-CZ2 4.47Å; T428-W440 WeakPolarHBondContact CA-O 3.37Å; L429-W440 HydrophobicContact CD2-CE3 4.38Å; L429-W440 PolarHBondContact N-O 3.18Å; L429-W440 PolarHBondContact O-N 3.5Å; V431-W440 HydrophobicContact CB-CZ3 3.97Å; V431-W440 HydrophobicContact CG2-CE3 4.38Å; V431-W440 HydrophobicContact CG2-CZ3 3.7Å; R438-W440 HydrophobicContact CB-CE3 4.21Å; R438-W440 HydrophobicContact CB-CH2 3.26Å; R438-W440 HydrophobicContact CB-CZ2 3.88Å; R438-W440 HydrophobicContact CB-CZ3 3.43Å; R438-W440 VanDerWaalsContact CB-CZ3 3.43Å; R438-W440 HydrophobicContact CG-CH2 4.11Å; W440-L442 HydrophobicContact CB-CD2 4.16Å; W440-E501 CarbonylContact C-O 3.41Å; W440-E501 WeakPolarHBondContact CA-O 3.39Å
441Y91.2Very high74.2Confident40 Ų4052.3 Ų52.316%0.15732%0.321CS..EExtended strand (participates in β ladder)trans-96132.8156.8-63.4-39.9000108.4T312 T428 C500 E501 V503 R535T312-Y441 HydrophobicContact CG2-CD1 3.56Å; T312-Y441 HydrophobicContact CG2-CE1 3.86Å; T312-Y441 HydrophobicContact CG2-CG 4.06Å; T428-Y441 HydrophobicContact CG2-CD1 3.68Å; T428-Y441 HydrophobicContact CG2-CE1 3.65Å; T428-Y441 WeakPolarHBondContact OG1-CD1 3.38Å; T428-Y441 WeakPolarHBondContact OG1-CE1 3.47Å; Y441-C500 WeakPolarHBondContact O-CA 3.14Å; Y441-E501 PolarHBondContact N-O 3.5Å; Y441-E501 PolarHBondContact O-N 3.48Å; Y441-V503 HydrophobicContact CD1-CG2 3.89Å; Y441-V503 HydrophobicContact CD2-CB 4.49Å; Y441-V503 HydrophobicContact CD2-CG1 4.31Å; Y441-V503 HydrophobicContact CD2-CG2 3.34Å; Y441-V503 HydrophobicContact CE1-CG2 4.11Å; Y441-V503 HydrophobicContact CE2-CB 4.36Å; Y441-V503 HydrophobicContact CE2-CG1 3.73Å; Y441-V503 HydrophobicContact CE2-CG2 3.6Å; Y441-V503 HydrophobicContact CG-CG2 3.5Å; Y441-R535 PolarHBondContact OH-NH2 3.17Å
442L90.9Very high70.8Confident1 Ų158.5 Ų58.51%0.00536%0.359CS..EExtended strand (participates in β ladder)trans-118.4130.4175.5-49.9178.9000108.4V281 W294 G426 C427 W440 W498 C500V281-L442 HydrophobicContact CB-CD1 4.15Å; V281-L442 HydrophobicContact CG1-CD1 4.19Å; V281-L442 HydrophobicContact CG2-CD1 3.89Å; W294-L442 HydrophobicContact CB-CD1 4.16Å; W294-L442 HydrophobicContact CD2-CD1 3.94Å; W294-L442 HydrophobicContact CD2-CD2 3.66Å; W294-L442 HydrophobicContact CD2-CG 4.48Å; W294-L442 HydrophobicContact CE3-CD1 3.82Å; W294-L442 HydrophobicContact CE3-CD2 4.16Å; W294-L442 HydrophobicContact CG-CD1 4.13Å; W294-L442 HydrophobicContact CG-CD2 3.89Å; W294-L442 HydrophobicContact CH2-CD2 4.42Å; W294-L442 HydrophobicContact CZ2-CD2 4Å; W294-L442 HydrophobicContact CZ3-CD1 4.41Å; G426-L442 CarbonylContact C-O 3.52Å; G426-L442 VanDerWaalsContact CA-O 3.24Å; G426-L442 WeakPolarHBondContact CA-O 3.29Å; C427-L442 PolarHBondContact N-O 3.5Å; C427-L442 PolarHBondContact O-N 2.79Å; W440-L442 HydrophobicContact CB-CD2 4.16Å; L442-W498 HydrophobicContact CB-CE3 4.14Å; L442-C500 HydrophobicContact CD2-CB 3.38Å
443Y86Confident67.4Low99 Ų9964.4 Ų64.439%0.38839%0.394SS..EExtended strand (participates in β ladder)trans-142.2144.9-179.552.7-83000110.4W498 T499 E501Y443-W498 CarbonylContact O-C 3.58Å; Y443-W498 WeakPolarHBondContact O-CB 3.3Å; Y443-T499 WeakPolarHBondContact CD2-OG1 3.26Å; Y443-T499 HydrophobicContact CE2-CG2 4.48Å; Y443-T499 WeakPolarHBondContact CE2-OG1 3.44Å; Y443-T499 PolarHBondContact N-O 2.89Å; Y443-T499 PolarHBondContact O-N 3.26Å; Y443-T499 VanDerWaalsContact O-O 3.11Å; Y443-T499 PolarHBondContact O-OG1 3.02Å; Y443-E501 HydrophobicContact CE1-CB 4.44Å
444P79.5Confident64.1Low27 Ų2768 Ų6818%0.17542%0.421CS..  trans-63.2147.9178.924.6-32.2000111.2C424 S446 W498C424-P444 HydrophobicContact CB-CG 3.52Å; P444-S446 PolarHBondContact O-N 2.82Å; P444-W498 HydrophobicContact CB-CD2 4.17Å; P444-W498 HydrophobicContact CB-CG 4.39Å; P444-W498 HydrophobicContact CB-CZ2 4.2Å; P444-W498 HydrophobicContact CG-CZ2 4.3Å
445P67Low60.9Low42 Ų4275 Ų7527%0.27344%0.439SS..  trans-63.6128.8-174.726.2-33.8000111.1G447 E496P445-G447 VanDerWaalsContact C-N 3.31Å; P445-G447 PolarHBondContact O-N 3.46Å; P445-E496 HydrophobicContact CG-CB 4.04Å
446S54.4Low57.7Low102 Ų10277.5 Ų77.571%0.71347%0.468SS*.  trans-84.668.2-175.753.40000112P444 L448P444-S446 PolarHBondContact O-N 2.82Å; S446-L448 PolarHBondContact O-N 3.44Å; S446-L448 VanDerWaalsContact O-N 3.09Å
447G38.1Very low54.3Low67 Ų6778.8 Ų78.869%0.69149%0.489SS*.  trans-64.5103.5175.300000112.5P445P445-G447 VanDerWaalsContact C-N 3.31Å; P445-G447 PolarHBondContact O-N 3.46Å
448L27.8Very low50.8Low158 Ų15884.7 Ų84.783%0.82753%0.526SS*.  trans53102.3174.4-70.4171000116.7S446 S450S446-L448 PolarHBondContact O-N 3.44Å; S446-L448 VanDerWaalsContact O-N 3.09Å; L448-S450 PolarHBondContact O-N 2.94Å
449I25.4Very low47.4Very low175 Ų17592.7 Ų92.790%0.89756%0.557SS**  trans-71.479.1147.3-51.7174.2000107.5
450S23.9Very low44Very low101 Ų10196.2 Ų96.271%0.70659%0.594SS**  trans-90.7130.8167.8-166.10000109.3L448 V452L448-S450 PolarHBondContact O-N 2.94Å; S450-V452 PolarHBondContact O-N 2.83Å
451A22.4Very low40.8Very low87 Ų87102.5 Ų102.572%0.71963%0.625SS**  trans-79.5123.8-164.900000113.2
452V25.6Very low37.7Very low134 Ų134106.2 Ų106.281%0.81265%0.652SS**  trans-12968.9146.7-169.40000108.9S450S450-V452 PolarHBondContact O-N 2.83Å
453V23.4Very low34.6Very low123 Ų123113.1 Ų113.175%0.74570%0.695SS**  trans-82.1103.3149.8175.90000105.6Y455V453-Y455 HydrophobicContact CG1-CD2 3.93Å; V453-Y455 HydrophobicContact CG1-CE2 3.88Å
454S25.8Very low31.8Very low101 Ų101114.2 Ų114.271%0.70672%0.716SS**  trans-127.4100.6171.2-1670000109.3
455Y25.9Very low29.6Very low180 Ų180118.9 Ų118.971%0.70675%0.747SS**  trans-74.1122.3163.4-75.2-97.6000107.8P414 V453P414-Y455 HydrophobicContact CG-CE1 4.4Å; V453-Y455 HydrophobicContact CG1-CD2 3.93Å; V453-Y455 HydrophobicContact CG1-CE2 3.88Å
456G27Very low27.8Very low74 Ų74121.6 Ų121.676%0.76377%0.773SS**  trans-172.1103.1178.800000110.1
457G24.2Very low26.6Very low68 Ų68121.9 Ų121.970%0.70177%0.77SS**  trans-91.1-162.2177.500000112.8
458T24.9Very low26.1Very low125 Ų125127.2 Ų127.277%0.76777%0.771SS**SBendtrans60.9101163470000118.2
459Y24.3Very low26Very low232 Ų232128.1 Ų128.191%0.9177%0.769SS**  trans57.591.4143.3-56.1-70.6000120.1
460G23.4Very low26.1Very low74 Ų74127.3 Ų127.376%0.76377%0.765SS**  trans119.6170.8140.200000117.8
461M25.7Very low26.2Very low143 Ų143127.2 Ų127.270%0.70476%0.764SS**  trans64.799.2168.2-54.2-162.170.900118.8L1256M461-L1256 HydrophobicContact CE-CD2 4.36Å
462T25.5Very low26.5Very low117 Ų117128.1 Ų128.172%0.71876%0.763SS**  trans32.7128.6137.647.60000122.1
463T25.6Very low26.5Very low147 Ų147129 Ų12990%0.90276%0.762SS**  trans-121.3149.8168.549.30000112
464S28.1Very low26.7Very low121 Ų121133.7 Ų133.785%0.84677%0.768SS**  trans-154.1132169.1-172.50000111
465P33.6Very low26.8Very low126 Ų126134.3 Ų134.382%0.81877%0.77SS**  trans-119.4132.7-176.938-26.9000115.7
466A29.3Very low26.9Very low98 Ų98133.5 Ų133.581%0.8177%0.77SS**  trans-168.9151.8165.500000108.9
467T28.3Very low26.9Very low108 Ų108138.7 Ų138.766%0.66378%0.777SS**  cis-144.9-167.2-12.6-1.10000106.2
468Y28.2Very low27.1Very low179 Ų179140.2 Ų140.270%0.70277%0.774SS**  cis-143.9-17419.6-62.4-95.1000107.1
469F26.7Very low27.3Very low178 Ų178140.2 Ų140.278%0.78177%0.767SS**  cis-135.5133.210.4-81.3-94.5000108.3
470L26.2Very low27.5Very low158 Ų158136.9 Ų136.983%0.82776%0.76SS**  64.2129.397.4-62.4-173000117.5
471S26.2Very low27.7Very low98 Ų98140.3 Ų140.369%0.68576%0.761SS**  trans-121.4175.5-177.157.30000111.7
472P28.1Very low28Very low107 Ų107138.6 Ų138.670%0.69576%0.758SS**  -130.1142.5109.935.5-27.4000111.4
473L26.1Very low28.1Very low151 Ų151142 Ų14279%0.79176%0.763SS**  61.195.466.4-69.4176000114.1
474Y27.1Very low28.3Very low222 Ų222138.4 Ų138.487%0.87174%0.744SS**  trans-145.8129.8151.4-91.5-73.7000110
475P28.4Very low28.5Very low114 Ų114137.6 Ų137.674%0.7473%0.729SS**  trans-101170.2-176.939.4-36.1000114.2
476F27.9Very low28.4Very low164 Ų164138.5 Ų138.572%0.71973%0.727SS**  trans12.7121.9150.9-105.9-97.3000119.6
477M27.2Very low28.3Very low182 Ų182138.9 Ų138.990%0.89772%0.724SS**  trans-144.9148.2132.8-72.2-152.980.500109.7
478P27.9Very low28.5Very low101 Ų101138 Ų13866%0.65671%0.709SS**  trans-87161.6-175.535-36.2000114.1Q480P478-Q480 PolarHBondContact O-N 2.91Å; P478-Q480 VanDerWaalsContact O-N 3.12Å
479M28.6Very low28.7Very low125 Ų125135 Ų13562%0.61671%0.711SS**  trans-68.298.2173.1-83.7-88.8-15200112.3V482M479-V482 HydrophobicContact CE-CG2 4.13Å; M479-V482 HydrophobicContact SD-CG2 3.3Å; M479-V482 WeakPolarHBondContact SD-CG2 3.49Å
480Q29.6Very low28.9Very low161 Ų161131.8 Ų131.875%0.75271%0.708SS**  trans-133.5139.7151.3-69.7-174.8-26.300107.7P478P478-Q480 PolarHBondContact O-N 2.91Å; P478-Q480 VanDerWaalsContact O-N 3.12Å
481D27.8Very low29.3Very low146 Ų146127 Ų12778%0.78168%0.683SS**  trans55.275.1-176.8-71.4-33.1000117.9K483D481-K483 PolarHBondContact O-N 2.96Å
482V31.4Very low29.6Very low108 Ų108125.1 Ų125.166%0.65567%0.674SS**  trans-72.681159.7-174.10000110M479M479-V482 HydrophobicContact CE-CG2 4.13Å; M479-V482 HydrophobicContact SD-CG2 3.3Å; M479-V482 WeakPolarHBondContact SD-CG2 3.49Å
483K28.8Very low29.9Very low189 Ų189126.8 Ų126.882%0.82267%0.67SS**  trans-127.332.8172.6-84.9-173.5176.3173.50113.4D481D481-K483 PolarHBondContact O-N 2.96Å
484S29.6Very low30.6Very low70 Ų70122.4 Ų122.449%0.4965%0.647SS.*  trans-148.5143.116251.70000109.1D486S484-D486 VanDerWaalsContact C-N 3.3Å; S484-D486 WeakPolarHBondContact CB-OD2 3.49Å
485L31.1Very low31.4Very low105 Ų105121.4 Ų121.455%0.5565%0.647SS.*SBendtrans-96.211.8-176.8-152.672.2000112
486D32.1Very low32.8Very low145 Ų145121.3 Ų121.378%0.77564%0.637SS**  trans-102.7-1.6-158.4-51.7-71.2000114.1S484S484-D486 VanDerWaalsContact C-N 3.3Å; S484-D486 WeakPolarHBondContact CB-OD2 3.49Å
487S28.3Very low34.8Very low105 Ų105116.6 Ų116.673%0.73462%0.623SS**  trans-10721.4-172.175.50000115.2
488Y31.5Very low37.4Very low90 Ų90109.4 Ų109.435%0.35359%0.586SS.*SBendtrans-65.2133.6163.3-75.3-79.4000109.1Y116Y116-Y488 HydrophobicContact CD1-CD1 4.11Å; Y116-Y488 HydrophobicContact CD1-CD2 4.07Å; Y116-Y488 AromaticContact CD1-CE1 3.98Å; Y116-Y488 HydrophobicContact CD1-CE1 3.98Å; Y116-Y488 AromaticContact CD1-CE2 3.93Å; Y116-Y488 HydrophobicContact CD1-CE2 3.93Å; Y116-Y488 HydrophobicContact CD1-CG 4.15Å; Y116-Y488 AromaticContact CD1-CZ 3.89Å; Y116-Y488 HydrophobicContact CD2-CE1 4.35Å; Y116-Y488 HydrophobicContact CD2-CE2 4.48Å; Y116-Y488 AromaticContact CD2-CZ 3.94Å; Y116-Y488 HydrophobicContact CE1-CD2 4.07Å; Y116-Y488 AromaticContact CE1-CE2 3.87Å; Y116-Y488 HydrophobicContact CE1-CE2 3.87Å; Y116-Y488 HydrophobicContact CE2-CE2 4.44Å; Y116-Y488 HydrophobicContact CG-CD1 4.27Å; Y116-Y488 AromaticContact CG-CE1 3.75Å; Y116-Y488 HydrophobicContact CG-CE1 3.75Å; Y116-Y488 HydrophobicContact CG-CE2 4.23Å; Y116-Y488 AromaticContact CG-CZ 3.72Å
489P31.6Very low40Very low115 Ų115107.1 Ų107.175%0.74757%0.57SS**PPolyproline II helixtrans-61124.617425.6-32.9000108.4L491P489-L491 PolarHBondContact O-N 3.37Å
490P32.1Very low42.8Very low111 Ų111104.2 Ų104.272%0.72156%0.561SS**PPolyproline II helixtrans-59.8138.2-177.223.7-33.4000109.7A492P490-A492 PolarHBondContact O-N 3.03Å
491L33.8Very low45.6Very low57 Ų57101.3 Ų101.330%0.29855%0.548SS..  trans-37.8117176.8-80.4166.3000110P118 P489 K493P118-L491 HydrophobicContact CG-CD1 4.11Å; P118-L491 HydrophobicContact CG-CG 4.43Å; P489-L491 PolarHBondContact O-N 3.37Å; L491-K493 PolarHBondContact O-N 2.88Å
492A33.5Very low48.5Very low60 Ų6099.9 Ų99.950%0.49654%0.538SS..  trans-55.8100-171.900000109.8I288 P490 I494I288-A492 HydrophobicContact CG2-CB 3.98Å; P490-A492 PolarHBondContact O-N 3.03Å; A492-I494 PolarHBondContact O-N 2.87Å
493K33.1Very low51.2Low142 Ų14295.7 Ų95.762%0.61751%0.512SS*.  trans-63.2100.5-165.7-69.5-169.1176.9-172.70109.5W133 G134 L491 K495W133-K493 HydrophobicContact CH2-CB 4.42Å; G134-K493 PolarHBondContact O-NZ 3.06Å; L491-K493 PolarHBondContact O-N 2.88Å; K493-K495 PolarHBondContact O-N 2.89Å
494I40.5Very low54.2Low59 Ų5987.4 Ų87.430%0.30348%0.48SS..  trans-61127.2167.3-56.9-168.8000106.3W133 H291 A492 E496W133-I494 WeakPolarHBondContact CH2-O 3.28Å; W133-I494 VanDerWaalsContact CZ3-O 3.31Å; W133-I494 WeakPolarHBondContact CZ3-O 3.31Å; H291-I494 WeakPolarHBondContact CD2-CD1 3.3Å; A492-I494 PolarHBondContact O-N 2.87Å; I494-E496 VanDerWaalsContact CG2-O 3.23Å; I494-E496 WeakPolarHBondContact CG2-O 3.43Å; I494-E496 PolarHBondContact O-N 2.88Å
495K45.7Very low57.2Low200 Ų20089.1 Ų89.187%0.8748%0.481SS*.SBendtrans-62.3-20.6-168.2-151.9172.5-175.7179.40113.3K493K493-K495 PolarHBondContact O-N 2.89Å
496E56.3Low60.3Low112 Ų11285.1 Ų85.152%0.52346%0.458SS..SBendtrans-140134.1178.5-67.3168.3-160.600109.4P445 I494P445-E496 HydrophobicContact CG-CB 4.04Å; I494-E496 VanDerWaalsContact CG2-O 3.23Å; I494-E496 WeakPolarHBondContact CG2-O 3.43Å; I494-E496 PolarHBondContact O-N 2.88Å
497P71.4Confident63.3Low66 Ų6680.7 Ų80.743%0.42944%0.435SS..PPolyproline II helixtrans-71.9168.9174.631.8-35.9000111.8T499P497-T499 PolarHBondContact O-N 2.9Å
498W81.8Confident66.4Low30 Ų3075.7 Ų75.711%0.11440%0.4CS..PPolyproline II helixtrans-66.5130.5172.5-78.831.9000111I293 L442 Y443 P444I293-W498 HydrophobicContact CB-CB 4.37Å; I293-W498 HydrophobicContact CB-CD2 4.02Å; I293-W498 HydrophobicContact CB-CG 3.78Å; I293-W498 HydrophobicContact CD1-CD2 3.52Å; I293-W498 HydrophobicContact CD1-CE3 3.5Å; I293-W498 VanDerWaalsContact CD1-CE3 3.5Å; I293-W498 HydrophobicContact CD1-CG 4.11Å; I293-W498 HydrophobicContact CD1-CH2 3.95Å; I293-W498 HydrophobicContact CD1-CZ2 3.97Å; I293-W498 HydrophobicContact CD1-CZ3 3.71Å; I293-W498 HydrophobicContact CG1-CD2 4.34Å; I293-W498 HydrophobicContact CG1-CG 4.47Å; I293-W498 HydrophobicContact CG2-CD2 4.38Å; I293-W498 HydrophobicContact CG2-CG 4.35Å; I293-W498 HydrophobicContact CG2-CZ2 4.4Å; I293-W498 PolarHBondContact O-N 3.09Å; L442-W498 HydrophobicContact CB-CE3 4.14Å; Y443-W498 CarbonylContact O-C 3.58Å; Y443-W498 WeakPolarHBondContact O-CB 3.3Å; P444-W498 HydrophobicContact CB-CD2 4.17Å; P444-W498 HydrophobicContact CB-CG 4.39Å; P444-W498 HydrophobicContact CB-CZ2 4.2Å; P444-W498 HydrophobicContact CG-CZ2 4.3Å
499T82.4Confident69.4Low53 Ų5376 Ų7633%0.32541%0.407SS..EExtended strand (participates in β ladder)trans-62.4141.9170.128.40000111.1Y443 P497Y443-T499 WeakPolarHBondContact CD2-OG1 3.26Å; Y443-T499 HydrophobicContact CE2-CG2 4.48Å; Y443-T499 WeakPolarHBondContact CE2-OG1 3.44Å; Y443-T499 PolarHBondContact N-O 2.89Å; Y443-T499 PolarHBondContact O-N 3.26Å; Y443-T499 VanDerWaalsContact O-O 3.11Å; Y443-T499 PolarHBondContact O-OG1 3.02Å; P497-T499 PolarHBondContact O-N 2.9Å
500C87.6Confident72.3Confident64 Ų6479.3 Ų79.343%0.43241%0.41SS..EExtended strand (participates in β ladder)trans-133.6140.6-174.564.20000112.7W294 Y441 L442W294-C500 HydrophobicContact CZ2-CB 4.34Å; W294-C500 VanDerWaalsContact NE1-CB 3.3Å; W294-C500 PolarHBondContact NE1-SG 2.82Å; Y441-C500 WeakPolarHBondContact O-CA 3.14Å; L442-C500 HydrophobicContact CD2-CB 3.38Å
501E86.9Confident75.1Confident100 Ų10079.4 Ų79.447%0.46740%0.396SS..EExtended strand (participates in β ladder)trans-120129.2174-174.5-168.9165.200108.9W440 Y441 Y443 V503W440-E501 CarbonylContact C-O 3.41Å; W440-E501 WeakPolarHBondContact CA-O 3.39Å; Y441-E501 PolarHBondContact N-O 3.5Å; Y441-E501 PolarHBondContact O-N 3.48Å; Y443-E501 HydrophobicContact CE1-CB 4.44Å; E501-V503 PolarHBondContact O-N 2.87Å
502M89.2Confident77.9Confident117 Ų11778.9 Ų78.958%0.57640%0.398SS*.EExtended strand (participates in β ladder)trans-86.9103.8172.6-174.8172.461.800109.4L439L439-M502 CarbonylContact O-C 3.58Å
503V89Confident80.8Confident19 Ų1976.2 Ų76.212%0.11538%0.375CS..EExtended strand (participates in β ladder)trans-76.2-25.8-170.8-162.60000112.4L439 Y441 E501L439-V503 HydrophobicContact CB-CB 4.39Å; L439-V503 HydrophobicContact CD2-CB 3.97Å; L439-V503 HydrophobicContact CD2-CG1 4.2Å; L439-V503 HydrophobicContact CG-CB 4Å; L439-V503 HydrophobicContact CG-CG2 4.2Å; L439-V503 PolarHBondContact O-N 2.87Å; Y441-V503 HydrophobicContact CD1-CG2 3.89Å; Y441-V503 HydrophobicContact CD2-CB 4.49Å; Y441-V503 HydrophobicContact CD2-CG1 4.31Å; Y441-V503 HydrophobicContact CD2-CG2 3.34Å; Y441-V503 HydrophobicContact CE1-CG2 4.11Å; Y441-V503 HydrophobicContact CE2-CB 4.36Å; Y441-V503 HydrophobicContact CE2-CG1 3.73Å; Y441-V503 HydrophobicContact CE2-CG2 3.6Å; Y441-V503 HydrophobicContact CG-CG2 3.5Å; E501-V503 PolarHBondContact O-N 2.87Å
504G89.9Confident83.5Confident15 Ų1569.7 Ų69.716%0.15535%0.347CS..EExtended strand (participates in β ladder)trans174.9159.817700000113.8L439L439-G504 PolarHBondContact N-O 2.86Å
505Q94.2Very high86Confident106 Ų10667.9 Ų67.950%0.49534%0.337SS..EExtended strand (participates in β ladder)trans-118.1132.8162.3-172.6-179.8-80.400108T436 I437 R438T436-Q505 HydrophobicContact CG2-CG 3.53Å; I437-Q505 CarbonylContact O-C 3.57Å; I437-Q505 WeakPolarHBondContact O-CA 3.35Å; R438-Q505 HydrophobicContact CG-CB 4.34Å; R438-Q505 HydrophobicContact CG-CG 3.91Å; R438-Q505 VanDerWaalsContact NH2-OE1 3.09Å
506Y95.2Very high88.3Confident21 Ų2159.1 Ų59.18%0.08230%0.299CS..EExtended strand (participates in β ladder)trans-128.7159.2-173.7-51.8-58.2000109.9T436 I437 L439 L523 R535 N540 W542T436-Y506 CarbonylContact C-O 3.54Å; T436-Y506 WeakPolarHBondContact CA-O 3.44Å; I437-Y506 PolarHBondContact N-O 2.89Å; I437-Y506 PolarHBondContact O-N 3.27Å; L439-Y506 HydrophobicContact CB-CE2 4.15Å; L439-Y506 HydrophobicContact CD2-CE2 4.02Å; Y506-L523 HydrophobicContact CD2-CD2 4.48Å; Y506-R535 HydrophobicContact CE2-CG 4.49Å; Y506-R535 WeakPolarHBondContact OH-CD 3.35Å; Y506-R535 PolarHBondContact OH-NE 3.42Å; Y506-N540 PolarHBondContact OH-O 2.87Å; Y506-W542 HydrophobicContact CD1-CB 3.41Å; Y506-W542 VanDerWaalsContact CD1-CB 3.41Å; Y506-W542 HydrophobicContact CD1-CD2 4.23Å; Y506-W542 AromaticContact CD1-CG 3.77Å; Y506-W542 HydrophobicContact CD1-CG 3.77Å; Y506-W542 HydrophobicContact CD2-CE3 4.29Å; Y506-W542 HydrophobicContact CE1-CB 3.82Å; Y506-W542 HydrophobicContact CG-CB 4.05Å; Y506-W542 AromaticContact CG-CD2 3.93Å; Y506-W542 HydrophobicContact CG-CD2 3.93Å; Y506-W542 HydrophobicContact CG-CE3 4.12Å; Y506-W542 AromaticContact CG-CG 3.92Å; Y506-W542 HydrophobicContact CG-CG 3.92Å
507D94.8Very high90.1Very high52 Ų5254.9 Ų54.928%0.27828%0.28SS..EExtended strand (participates in β ladder)trans-133.8137.5178.7-177.171.4000110.7S435 N509 K510 W542S435-D507 WeakPolarHBondContact CB-OD1 3.47Å; S435-D507 WeakPolarHBondContact O-CA 3.49Å; S435-D507 PolarHBondContact OG-OD1 3.45Å; D507-N509 VanDerWaalsContact C-N 3.25Å; D507-N509 PolarHBondContact O-N 3.02Å; D507-N509 VanDerWaalsContact OD2-CA 3.29Å; D507-N509 WeakPolarHBondContact OD2-CA 3.44Å; D507-N509 PolarHBondContact OD2-N 3.09Å; D507-N509 VanDerWaalsContact OD2-N 3.08Å; D507-K510 PolarHBondContact OD2-N 3.21Å; D507-W542 PolarHBondContact O-NE1 2.84Å
508L94.2Very high91Very high0 Ų053.3 Ų53.30%027%0.266CS..SBendtrans-91.453.8177.5-164.562.4000111.1S435 K510 R511 V513 A525 L531 W542 V544S435-L508 PolarHBondContact O-N 2.88Å; L508-K510 VanDerWaalsContact C-N 3.32Å; L508-K510 PolarHBondContact O-N 3.36Å; L508-R511 PolarHBondContact O-N 3.38Å; L508-V513 HydrophobicContact CB-CG2 4.15Å; L508-V513 HydrophobicContact CD2-CG2 4.03Å; L508-A525 HydrophobicContact CD2-CB 4.32Å; L508-L531 HydrophobicContact CD1-CB 4.09Å; L508-L531 HydrophobicContact CG-CB 4.13Å; L508-L531 HydrophobicContact CG-CD1 4.38Å; L508-L531 WeakPolarHBondContact O-CD1 3.38Å; L508-W542 HydrophobicContact CD1-CZ2 4.26Å; L508-V544 HydrophobicContact CD1-CG1 3.88Å; L508-V544 HydrophobicContact CD1-CG2 4.2Å
509N93.6Very high91.3Very high96 Ų9652.1 Ų52.151%0.51326%0.262SS..THydrogen-bonded Turntrans46.148.6-177.2-60.2-11.7000113.5D507 R511 L531 V544D507-N509 VanDerWaalsContact C-N 3.25Å; D507-N509 PolarHBondContact O-N 3.02Å; D507-N509 VanDerWaalsContact OD2-CA 3.29Å; D507-N509 WeakPolarHBondContact OD2-CA 3.44Å; D507-N509 PolarHBondContact OD2-N 3.09Å; D507-N509 VanDerWaalsContact OD2-N 3.08Å; N509-R511 PolarHBondContact O-N 2.94Å; N509-R511 VanDerWaalsContact O-N 3.11Å; N509-L531 HydrophobicContact CB-CD1 3.87Å; N509-V544 WeakPolarHBondContact ND2-CG1 3.39Å
510K92.6Very high91.2Very high185 Ų18552 Ų5280%0.80427%0.272SS*.THydrogen-bonded Turntrans57.317.9-177.6-52.8-178.9-177.1178.80115.3D507 L508D507-K510 PolarHBondContact OD2-N 3.21Å; L508-K510 VanDerWaalsContact C-N 3.32Å; L508-K510 PolarHBondContact O-N 3.36Å
511R92.5Very high90.8Very high113 Ų11350.9 Ų50.943%0.42627%0.267SS..SBendtrans-100.2149.8170.3-58.6-60-171.2-174.90.4110.7S435 L508 N509 L531S435-R511 WeakPolarHBondContact CA-O 3.34Å; S435-R511 WeakPolarHBondContact CB-O 3.44Å; L508-R511 PolarHBondContact O-N 3.38Å; N509-R511 PolarHBondContact O-N 2.94Å; N509-R511 VanDerWaalsContact O-N 3.11Å; R511-L531 HydrophobicContact CB-CD1 3.97Å; R511-L531 HydrophobicContact CG-CD1 3.59Å; R511-L531 HydrophobicContact CG-CG 4.42Å
512S91.6Very high90.7Very high47 Ų4747.5 Ų47.533%0.32925%0.251SS..  trans-58.6136.8177.749.90000112.6D514 S527S512-D514 PolarHBondContact O-N 3.13Å; S512-D514 VanDerWaalsContact O-N 3.17Å; S512-D514 PolarHBondContact OG-OD2 2.92Å; S512-S527 VanDerWaalsContact O-CB 3.26Å; S512-S527 WeakPolarHBondContact O-CB 3.22Å; S512-S527 PolarHBondContact O-OG 3.06Å
513V94Very high90.9Very high4 Ų441.9 Ų41.92%0.02422%0.224CC..  trans-79.393.8171.1179.90000109.2R305 A432 G434 I437 L508 Y515 L516 A525R305-V513 HydrophobicContact CG-CG1 4.48Å; R305-V513 WeakPolarHBondContact CG-O 3.25Å; A432-V513 HydrophobicContact CB-CB 3.82Å; A432-V513 HydrophobicContact CB-CG1 3.87Å; A432-V513 HydrophobicContact CB-CG2 4.05Å; G434-V513 PolarHBondContact O-N 3.33Å; I437-V513 HydrophobicContact CD1-CG2 3.98Å; I437-V513 HydrophobicContact CG1-CG2 3.78Å; L508-V513 HydrophobicContact CB-CG2 4.15Å; L508-V513 HydrophobicContact CD2-CG2 4.03Å; V513-Y515 WeakPolarHBondContact CG1-O 3.19Å; V513-L516 HydrophobicContact CG1-CB 4.02Å; V513-L516 HydrophobicContact CG1-CD1 4.27Å; V513-A525 HydrophobicContact CG1-CB 4.07Å
514D90.5Very high91Very high4 Ų441 Ų412%0.02122%0.218CC..  trans-75.7-28.2-179.1-65.7-78.8000112.7R305 S512 L526 S527 R528R305-D514 PolarHBondContact NE-O 2.88Å; R305-D514 PolarHBondContact NH2-O 2.91Å; S512-D514 PolarHBondContact O-N 3.13Å; S512-D514 VanDerWaalsContact O-N 3.17Å; S512-D514 PolarHBondContact OG-OD2 2.92Å; D514-L526 PolarHBondContact N-O 3.17Å; D514-S527 VanDerWaalsContact OD2-CA 3.29Å; D514-S527 WeakPolarHBondContact OD2-CA 3.25Å; D514-S527 PolarHBondContact OD2-OG 2.88Å; D514-R528 HydrophobicContact CB-CG 4.13Å; D514-R528 IonicContact OD1-CZ 3.16Å; D514-R528 IonicContact OD1-NE 3.34Å; D514-R528 PolarHBondContact OD1-NE 2.8Å; D514-R528 IonicContact OD1-NH2 2.59Å; D514-R528 PolarHBondContact OD1-NH2 2.86Å; D514-R528 PolarHBondContact OD2-N 2.85Å; D514-R528 IonicContact OD2-NE 2.65Å
515Y92.3Very high91.2Very high22 Ų2240.3 Ų40.39%0.08621%0.211CC..EExtended strand (participates in β ladder)trans-142.7144.2173.2-46.4-81.6000110.8V513 A525 L526 Y553 V1018V513-Y515 WeakPolarHBondContact CG1-O 3.19Å; Y515-A525 CarbonylContact O-C 3.58Å; Y515-A525 WeakPolarHBondContact O-CA 3.48Å; Y515-L526 HydrophobicContact CD2-CB 3.97Å; Y515-L526 HydrophobicContact CD2-CD1 4.43Å; Y515-L526 PolarHBondContact N-O 2.82Å; Y515-L526 PolarHBondContact O-N 2.86Å; Y515-Y553 HydrophobicContact CD1-CD1 4.02Å; Y515-Y553 AromaticContact CD1-CE1 3.44Å; Y515-Y553 HydrophobicContact CD1-CE1 3.44Å; Y515-Y553 VanDerWaalsContact CD1-CE1 3.44Å; Y515-Y553 HydrophobicContact CD2-CD1 4.15Å; Y515-Y553 HydrophobicContact CD2-CE1 4.32Å; Y515-Y553 HydrophobicContact CE1-CD1 4.23Å; Y515-Y553 AromaticContact CE1-CE1 3.9Å; Y515-Y553 HydrophobicContact CE1-CE1 3.9Å; Y515-Y553 HydrophobicContact CE2-CD1 4.37Å; Y515-Y553 AromaticContact CG-CD1 3.95Å; Y515-Y553 HydrophobicContact CG-CD1 3.95Å; Y515-Y553 AromaticContact CG-CE1 3.66Å; Y515-Y553 HydrophobicContact CG-CE1 3.66Å; Y515-V1018 HydrophobicContact CD1-CG1 4.21Å; Y515-V1018 HydrophobicContact CE1-CG1 3.52Å; Y515-V1018 HydrophobicContact CE1-CG2 4.36Å; Y515-V1018 WeakPolarHBondContact OH-CG2 3.44Å
516L94.6Very high91.2Very high16 Ų1635.2 Ų35.28%0.08419%0.187CC..EExtended strand (participates in β ladder)trans-141.9128.5179.6-173.172000108.8R305 A307 A430 A432 I437 V513 L523 A525R305-L516 HydrophobicContact CB-CB 3.8Å; R305-L516 HydrophobicContact CB-CD2 4.23Å; R305-L516 HydrophobicContact CG-CB 4.39Å; A307-L516 HydrophobicContact CB-CD2 4.29Å; A307-L516 HydrophobicContact CB-CG 4.06Å; A430-L516 HydrophobicContact CB-CD2 3.98Å; A432-L516 HydrophobicContact CB-CD2 4.14Å; I437-L516 HydrophobicContact CD1-CD1 4.14Å; I437-L516 HydrophobicContact CG1-CD1 4.31Å; I437-L516 HydrophobicContact CG2-CD1 4.03Å; I437-L516 HydrophobicContact CG2-CD2 4.48Å; V513-L516 HydrophobicContact CG1-CB 4.02Å; V513-L516 HydrophobicContact CG1-CD1 4.27Å; L516-L523 HydrophobicContact CD1-CD1 3.94Å; L516-L523 HydrophobicContact CD1-CG 4.48Å; L516-L523 HydrophobicContact CG-CD1 4.34Å; L516-A525 HydrophobicContact CD1-CB 3.86Å
517L93.5Very high91.1Very high23 Ų2334.2 Ų34.212%0.1218%0.183CC..EExtended strand (participates in β ladder)trans-157.1161.8-177.966.2162.7000113.4I519 V524 Y553 V555L517-I519 HydrophobicContact CD1-CD1 3.93Å; L517-I519 HydrophobicContact CD1-CG1 3.85Å; L517-I519 HydrophobicContact CG-CD1 4.41Å; L517-I519 HydrophobicContact CG-CG1 4.25Å; L517-V524 HydrophobicContact CD2-CB 4.23Å; L517-V524 HydrophobicContact CD2-CG1 4.39Å; L517-V524 HydrophobicContact CG-CB 4.49Å; L517-V524 PolarHBondContact N-O 3.36Å; L517-V524 PolarHBondContact O-N 3.15Å; L517-Y553 HydrophobicContact CD1-CD2 4.48Å; L517-Y553 HydrophobicContact CD1-CE2 3.74Å; L517-Y553 HydrophobicContact CD2-CE2 4.29Å; L517-V555 HydrophobicContact CD1-CG2 3.7Å
518F90.6Very high90.8Very high33 Ų3335.5 Ų35.515%0.14518%0.184CC..EExtended strand (participates in β ladder)trans-97.4138.5164.9-69.4-77.7000110.5A307 T309 T428 A430 L439 H522 L523A307-F518 HydrophobicContact CB-CD2 3.8Å; A307-F518 HydrophobicContact CB-CE2 3.8Å; T309-F518 HydrophobicContact CG2-CB 4.17Å; T309-F518 HydrophobicContact CG2-CD1 3.89Å; T309-F518 HydrophobicContact CG2-CD2 3.57Å; T309-F518 HydrophobicContact CG2-CE1 4.16Å; T309-F518 HydrophobicContact CG2-CE2 3.86Å; T309-F518 HydrophobicContact CG2-CG 3.6Å; T309-F518 HydrophobicContact CG2-CZ 4.16Å; T428-F518 HydrophobicContact CG2-CE1 3.87Å; T428-F518 HydrophobicContact CG2-CE2 4.48Å; T428-F518 HydrophobicContact CG2-CZ 3.55Å; A430-F518 HydrophobicContact CB-CE2 4.24Å; A430-F518 HydrophobicContact CB-CZ 3.97Å; L439-F518 HydrophobicContact CD1-CE1 4.34Å; L439-F518 HydrophobicContact CD1-CZ 3.94Å; F518-H522 CarbonylContact C-O 3.57Å; F518-H522 VanDerWaalsContact CA-O 3.3Å; F518-H522 WeakPolarHBondContact CA-O 3.07Å; F518-L523 HydrophobicContact CD1-CB 4.21Å; F518-L523 HydrophobicContact CD1-CD1 4.18Å; F518-L523 HydrophobicContact CE1-CB 3.9Å; F518-L523 HydrophobicContact CE1-CD1 3.79Å; F518-L523 HydrophobicContact CE1-CG 4.4Å; F518-L523 HydrophobicContact CE2-CD1 4.37Å; F518-L523 HydrophobicContact CZ-CD1 3.88Å
519I87.5Confident90.6Very high4 Ų441.3 Ų41.32%0.02121%0.207CC..EExtended strand (participates in β ladder)trans-125.7105.6169.9-60.6174.4000106.9L517 A521 H522 V524 V555 L561 I575L517-I519 HydrophobicContact CD1-CD1 3.93Å; L517-I519 HydrophobicContact CD1-CG1 3.85Å; L517-I519 HydrophobicContact CG-CD1 4.41Å; L517-I519 HydrophobicContact CG-CG1 4.25Å; I519-A521 PolarHBondContact O-N 3.16Å; I519-H522 PolarHBondContact N-O 2.98Å; I519-H522 WeakPolarHBondContact O-CB 3.44Å; I519-H522 PolarHBondContact O-N 3.04Å; I519-V524 HydrophobicContact CD1-CG2 4.21Å; I519-V555 HydrophobicContact CD1-CG1 3.97Å; I519-V555 HydrophobicContact CD1-CG2 3.69Å; I519-V555 HydrophobicContact CG1-CG1 4.02Å; I519-V555 HydrophobicContact CG1-CG2 4.07Å; I519-V555 HydrophobicContact CG2-CG1 3.96Å; I519-L561 HydrophobicContact CD1-CB 4.16Å; I519-L561 HydrophobicContact CD1-CD1 4.21Å; I519-I575 HydrophobicContact CB-CD1 3.96Å; I519-I575 HydrophobicContact CD1-CD1 3.47Å; I519-I575 VanDerWaalsContact CD1-CD1 3.47Å; I519-I575 HydrophobicContact CG1-CD1 4.28Å; I519-I575 HydrophobicContact CG2-CD1 3.93Å
520G80.3Confident90.4Very high51 Ų5136.7 Ų36.753%0.52618%0.182SC..THydrogen-bonded Turntrans58.1-124.9-161.600000110.4
521A79.2Confident90.3Very high41 Ų4128.8 Ų28.834%0.33915%0.148SC..THydrogen-bonded Turntrans-88.9-7174.800000114.1P313 I519 V537P313-A521 HydrophobicContact CB-CB 4.28Å; I519-A521 PolarHBondContact O-N 3.16Å; A521-V537 HydrophobicContact CB-CG1 4.25Å; A521-V537 HydrophobicContact CB-CG2 3.98Å; A521-V537 VanDerWaalsContact O-CG2 3.27Å; A521-V537 WeakPolarHBondContact O-CG2 3.24Å
522H85.5Confident90.2Very high28 Ų2823.5 Ų23.513%0.1313%0.129CC..EExtended strand (participates in β ladder)trans-83.6132.5-176.2-63.2-93000111.2F518 I519 R535 I575F518-H522 CarbonylContact C-O 3.57Å; F518-H522 VanDerWaalsContact CA-O 3.3Å; F518-H522 WeakPolarHBondContact CA-O 3.07Å; I519-H522 PolarHBondContact N-O 2.98Å; I519-H522 WeakPolarHBondContact O-CB 3.44Å; I519-H522 PolarHBondContact O-N 3.04Å; H522-R535 PolarHBondContact ND1-O 2.92Å; H522-I575 HydrophobicContact CB-CG2 3.72Å; H522-I575 VanDerWaalsContact CG-CG2 3.44Å
523L92.5Very high90.2Very high0 Ų021.2 Ų21.20%011%0.113CC..EExtended strand (participates in β ladder)trans-85.4130.7167.9-18066.6000109.1A430 I437 L439 Y506 L516 F518 V534 R535A430-L523 HydrophobicContact CB-CD1 3.53Å; A430-L523 HydrophobicContact CB-CD2 4.03Å; A430-L523 HydrophobicContact CB-CG 4.45Å; I437-L523 HydrophobicContact CG2-CD2 4.13Å; L439-L523 HydrophobicContact CD1-CD2 4.2Å; L439-L523 HydrophobicContact CD2-CD2 4.4Å; Y506-L523 HydrophobicContact CD2-CD2 4.48Å; L516-L523 HydrophobicContact CD1-CD1 3.94Å; L516-L523 HydrophobicContact CD1-CG 4.48Å; L516-L523 HydrophobicContact CG-CD1 4.34Å; F518-L523 HydrophobicContact CD1-CB 4.21Å; F518-L523 HydrophobicContact CD1-CD1 4.18Å; F518-L523 HydrophobicContact CE1-CB 3.9Å; F518-L523 HydrophobicContact CE1-CD1 3.79Å; F518-L523 HydrophobicContact CE1-CG 4.4Å; F518-L523 HydrophobicContact CE2-CD1 4.37Å; F518-L523 HydrophobicContact CZ-CD1 3.88Å; L523-V534 WeakPolarHBondContact O-CA 3.13Å; L523-R535 HydrophobicContact CB-CB 3.94Å; L523-R535 PolarHBondContact O-N 3.16Å
524V92.5Very high90Very high0 Ų021.1 Ų21.10%011%0.113CC..EExtended strand (participates in β ladder)trans-125.5135.6177-1780000109.8L517 I519 L526 G533 V534 L561 I575L517-V524 HydrophobicContact CD2-CB 4.23Å; L517-V524 HydrophobicContact CD2-CG1 4.39Å; L517-V524 HydrophobicContact CG-CB 4.49Å; L517-V524 PolarHBondContact N-O 3.36Å; L517-V524 PolarHBondContact O-N 3.15Å; I519-V524 HydrophobicContact CD1-CG2 4.21Å; V524-L526 HydrophobicContact CG1-CD2 4.07Å; V524-L526 HydrophobicContact CG1-CG 4.31Å; V524-G533 CarbonylContact C-O 3.54Å; V524-G533 WeakPolarHBondContact CA-O 3.09Å; V524-V534 HydrophobicContact CG1-CG2 4.33Å; V524-V534 HydrophobicContact CG2-CG1 4.41Å; V524-V534 HydrophobicContact CG2-CG2 4.19Å; V524-L561 HydrophobicContact CG1-CD2 4.05Å; V524-I575 HydrophobicContact CG2-CD1 3.97Å
525A94.6Very high89.9Confident0 Ų021 Ų210%011%0.112CC..EExtended strand (participates in β ladder)trans-124.2143169.300000110.1I437 L508 V513 Y515 L516 G533 W542I437-A525 HydrophobicContact CD1-CB 3.48Å; I437-A525 VanDerWaalsContact CD1-CB 3.48Å; L508-A525 HydrophobicContact CD2-CB 4.32Å; V513-A525 HydrophobicContact CG1-CB 4.07Å; Y515-A525 CarbonylContact O-C 3.58Å; Y515-A525 WeakPolarHBondContact O-CA 3.48Å; L516-A525 HydrophobicContact CD1-CB 3.86Å; A525-G533 PolarHBondContact N-O 2.96Å; A525-G533 PolarHBondContact O-N 2.88Å; A525-W542 HydrophobicContact CB-CH2 3.77Å; A525-W542 HydrophobicContact CB-CZ2 4.24Å
526L93.6Very high89.3Confident0 Ų021 Ų210%011%0.112CC..EExtended strand (participates in β ladder)trans-129.5144.5179.9-54.8173.6000109.9D514 Y515 V524 L531 V532 I550 Y553 L561 L563D514-L526 PolarHBondContact N-O 3.17Å; Y515-L526 HydrophobicContact CD2-CB 3.97Å; Y515-L526 HydrophobicContact CD2-CD1 4.43Å; Y515-L526 PolarHBondContact N-O 2.82Å; Y515-L526 PolarHBondContact O-N 2.86Å; V524-L526 HydrophobicContact CG1-CD2 4.07Å; V524-L526 HydrophobicContact CG1-CG 4.31Å; L526-L531 CarbonylContact C-O 3.57Å; L526-L531 WeakPolarHBondContact CA-O 3.47Å; L526-V532 HydrophobicContact CD2-CB 4.18Å; L526-V532 HydrophobicContact CD2-CG1 3.88Å; L526-V532 HydrophobicContact CD2-CG2 3.86Å; L526-I550 HydrophobicContact CD2-CD1 4.28Å; L526-Y553 HydrophobicContact CD1-CD1 4.18Å; L526-Y553 HydrophobicContact CD1-CD2 4.44Å; L526-Y553 HydrophobicContact CD1-CG 3.92Å; L526-L561 HydrophobicContact CD2-CD2 4.2Å; L526-L563 HydrophobicContact CD1-CD2 3.83Å; L526-L563 HydrophobicContact CD2-CD2 4.17Å
527S93Very high88.5Confident0 Ų021.8 Ų21.80%012%0.118CC..EExtended strand (participates in β ladder)trans-120.1141.9169.2-174.50000110.9S512 D514 Y529 G530 L531S512-S527 VanDerWaalsContact O-CB 3.26Å; S512-S527 WeakPolarHBondContact O-CB 3.22Å; S512-S527 PolarHBondContact O-OG 3.06Å; D514-S527 VanDerWaalsContact OD2-CA 3.29Å; D514-S527 WeakPolarHBondContact OD2-CA 3.25Å; D514-S527 PolarHBondContact OD2-OG 2.88Å; S527-Y529 PolarHBondContact O-N 2.89Å; S527-Y529 VanDerWaalsContact O-N 3.11Å; S527-Y529 WeakPolarHBondContact OG-CD2 3.34Å; S527-G530 PolarHBondContact O-N 2.84Å; S527-L531 PolarHBondContact N-O 2.9Å; S527-L531 PolarHBondContact O-N 2.9Å
528R89.3Confident87.5Confident78 Ų7827.5 Ų27.529%0.29415%0.146SC..THydrogen-bonded Turntrans-56.4-26.6175.2-80.5179.8-75.2169.36.5112.5D514 G530 P549 I550 I1016 V1018D514-R528 HydrophobicContact CB-CG 4.13Å; D514-R528 IonicContact OD1-CZ 3.16Å; D514-R528 IonicContact OD1-NE 3.34Å; D514-R528 PolarHBondContact OD1-NE 2.8Å; D514-R528 IonicContact OD1-NH2 2.59Å; D514-R528 PolarHBondContact OD1-NH2 2.86Å; D514-R528 PolarHBondContact OD2-N 2.85Å; D514-R528 IonicContact OD2-NE 2.65Å; R528-G530 PolarHBondContact O-N 3.14Å; R528-G530 VanDerWaalsContact O-N 3.11Å; R528-P549 CarbonylContact O-C 3.59Å; R528-P549 VanDerWaalsContact O-CA 3.25Å; R528-P549 WeakPolarHBondContact O-CA 3.47Å; R528-P549 WeakPolarHBondContact O-CB 3.33Å; R528-I550 WeakPolarHBondContact CA-O 3.46Å; R528-I550 PolarHBondContact O-N 2.8Å; R528-I550 VanDerWaalsContact O-N 3.15Å; R528-I1016 PolarHBondContact NH1-O 3.35Å; R528-V1018 HydrophobicContact CG-CG2 4.27Å
529Y89.7Confident86.9Confident122 Ų12230 Ų3048%0.47816%0.164SC..THydrogen-bonded Turntrans-68.1-0.7173.7-64-75.1000114.6S527S527-Y529 PolarHBondContact O-N 2.89Å; S527-Y529 VanDerWaalsContact O-N 3.11Å; S527-Y529 WeakPolarHBondContact OG-CD2 3.34Å
530G88.6Confident86.6Confident0 Ų033.2 Ų33.20%018%0.181CC..THydrogen-bonded Turntrans93.317.2178.700000113.9S527 R528 S546 T547S527-G530 PolarHBondContact O-N 2.84Å; R528-G530 PolarHBondContact O-N 3.14Å; R528-G530 VanDerWaalsContact O-N 3.11Å; G530-S546 CarbonylContact O-C 3.58Å; G530-S546 WeakPolarHBondContact O-CA 3.49Å; G530-T547 VanDerWaalsContact O-CG2 3.22Å; G530-T547 WeakPolarHBondContact O-CG2 3.24Å; G530-T547 PolarHBondContact O-N 3.16Å
531L90.8Very high86.7Confident18 Ų1832.5 Ų32.59%0.09417%0.17CC..EExtended strand (participates in β ladder)trans-89.5134.9173.4-61.6-170.8000111.5L508 N509 R511 L526 S527 V544 W545L508-L531 HydrophobicContact CD1-CB 4.09Å; L508-L531 HydrophobicContact CG-CB 4.13Å; L508-L531 HydrophobicContact CG-CD1 4.38Å; L508-L531 WeakPolarHBondContact O-CD1 3.38Å; N509-L531 HydrophobicContact CB-CD1 3.87Å; R511-L531 HydrophobicContact CB-CD1 3.97Å; R511-L531 HydrophobicContact CG-CD1 3.59Å; R511-L531 HydrophobicContact CG-CG 4.42Å; L526-L531 CarbonylContact C-O 3.57Å; L526-L531 WeakPolarHBondContact CA-O 3.47Å; S527-L531 PolarHBondContact N-O 2.9Å; S527-L531 PolarHBondContact O-N 2.9Å; L531-V544 HydrophobicContact CB-CG1 4.33Å; L531-V544 HydrophobicContact CD1-CG1 4.37Å; L531-W545 WeakPolarHBondContact CA-O 3.17Å
532V91.1Very high87.2Confident2 Ų233 Ų331%0.01216%0.163CC..EExtended strand (participates in β ladder)trans-119.9114.6173.4-178.60000107.7L526 V534 V544 W545 T547 I550 L563 I573L526-V532 HydrophobicContact CD2-CB 4.18Å; L526-V532 HydrophobicContact CD2-CG1 3.88Å; L526-V532 HydrophobicContact CD2-CG2 3.86Å; V532-V534 HydrophobicContact CG1-CG2 4.08Å; V532-V544 WeakPolarHBondContact O-CA 3.39Å; V532-W545 PolarHBondContact N-O 2.81Å; V532-W545 PolarHBondContact O-N 2.96Å; V532-T547 HydrophobicContact CG2-CG2 3.96Å; V532-I550 HydrophobicContact CG2-CD1 3.85Å; V532-L563 HydrophobicContact CG2-CD1 3.95Å; V532-I573 HydrophobicContact CG1-CD1 4.3Å; V532-I573 HydrophobicContact CG2-CD1 4.3Å
533G90.3Very high87.2Confident0 Ų033.3 Ų33.30%017%0.165CC..EExtended strand (participates in β ladder)trans-105.5130.417300000110.8V524 A525 W542 Q543V524-G533 CarbonylContact C-O 3.54Å; V524-G533 WeakPolarHBondContact CA-O 3.09Å; A525-G533 PolarHBondContact N-O 2.96Å; A525-G533 PolarHBondContact O-N 2.88Å; G533-W542 VanDerWaalsContact C-CH2 3.46Å; G533-Q543 CarbonylContact C-O 3.53Å; G533-Q543 WeakPolarHBondContact CA-O 3.39Å
534V90Very high86.9Confident2 Ų234.9 Ų34.91%0.01217%0.174CC..EExtended strand (participates in β ladder)trans-132.6136.1177.3-176.50000110.4L523 V524 V532 Q543 W545 I575 F578L523-V534 WeakPolarHBondContact O-CA 3.13Å; V524-V534 HydrophobicContact CG1-CG2 4.33Å; V524-V534 HydrophobicContact CG2-CG1 4.41Å; V524-V534 HydrophobicContact CG2-CG2 4.19Å; V532-V534 HydrophobicContact CG1-CG2 4.08Å; V534-Q543 PolarHBondContact N-O 2.87Å; V534-Q543 PolarHBondContact O-N 2.86Å; V534-Q543 VanDerWaalsContact O-N 3.08Å; V534-W545 HydrophobicContact CB-CZ3 4.21Å; V534-W545 HydrophobicContact CG2-CZ3 4.43Å; V534-I575 HydrophobicContact CG1-CG2 4.45Å; V534-F578 HydrophobicContact CB-CD1 3.88Å; V534-F578 HydrophobicContact CB-CE1 3.63Å; V534-F578 HydrophobicContact CG1-CD1 3.87Å; V534-F578 HydrophobicContact CG1-CE1 3.99Å; V534-F578 HydrophobicContact CG2-CD1 4.14Å; V534-F578 HydrophobicContact CG2-CE1 3.4Å; V534-F578 HydrophobicContact CG2-CZ 3.97Å
535R88.2Confident86.5Confident2 Ų237.3 Ų37.31%0.00818%0.183CC..EExtended strand (participates in β ladder)trans-90.8125.3171.8-178.3-179.9164.1-114.30.9110.7L439 Y441 Y506 H522 L523 N540 A541 W542L439-R535 VanDerWaalsContact CD2-CZ 3.41Å; Y441-R535 PolarHBondContact OH-NH2 3.17Å; Y506-R535 HydrophobicContact CE2-CG 4.49Å; Y506-R535 WeakPolarHBondContact OH-CD 3.35Å; Y506-R535 PolarHBondContact OH-NE 3.42Å; H522-R535 PolarHBondContact ND1-O 2.92Å; L523-R535 HydrophobicContact CB-CB 3.94Å; L523-R535 PolarHBondContact O-N 3.16Å; R535-N540 PolarHBondContact NE-OD1 2.84Å; R535-N540 PolarHBondContact NH2-OD1 2.74Å; R535-A541 WeakPolarHBondContact CA-O 3.29Å; R535-W542 HydrophobicContact CB-CE3 3.99Å; R535-W542 HydrophobicContact CB-CZ3 4.2Å
536H79.4Confident86Confident21 Ų2141 Ų4110%0.09721%0.209CC..  trans-78.8118.8166.5-173.4-119.6000110.3M538 T539 N540 A541 P579H536-M538 PolarHBondContact O-N 3.29Å; H536-T539 PolarHBondContact ND1-N 2.96Å; H536-T539 PolarHBondContact ND1-OG1 2.78Å; H536-N540 WeakPolarHBondContact O-CA 3.44Å; H536-N540 PolarHBondContact O-N 2.94Å; H536-A541 HydrophobicContact CB-CB 4.35Å; H536-A541 PolarHBondContact N-O 2.96Å; H536-P579 WeakPolarHBondContact NE2-CB 3.49Å; H536-P579 WeakPolarHBondContact NE2-CG 3.29Å
537V77.7Confident85.5Confident32 Ų3242.4 Ų42.419%0.19422%0.218CC..THydrogen-bonded Turntrans-65.5-37.9-169.3-174.60000112.8P313 A521P313-V537 HydrophobicContact CG-CG1 4.04Å; A521-V537 HydrophobicContact CB-CG1 4.25Å; A521-V537 HydrophobicContact CB-CG2 3.98Å; A521-V537 VanDerWaalsContact O-CG2 3.27Å; A521-V537 WeakPolarHBondContact O-CG2 3.24Å
538M72.6Confident85.2Confident144 Ų14445 Ų4571%0.70923%0.233SC*.THydrogen-bonded Turntrans-80.8-31-173-165.762.973.800113.6H536H536-M538 PolarHBondContact O-N 3.29Å
539T78.5Confident85.3Confident85 Ų8543.6 Ų43.652%0.52124%0.235SC..THydrogen-bonded Turntrans-107.70.9-17862.20000113.5H536 A541H536-T539 PolarHBondContact ND1-N 2.96Å; H536-T539 PolarHBondContact ND1-OG1 2.78Å; T539-A541 PolarHBondContact O-N 2.77Å; T539-A541 WeakPolarHBondContact OG1-CB 3.26Å; T539-A541 PolarHBondContact OG1-N 2.8Å
540N80.9Confident85.4Confident72 Ų7237.8 Ų37.839%0.38521%0.212SC..  trans54.56.8-168.6-73.3-41.3000115.6Y506 R535 H536 W542Y506-N540 PolarHBondContact OH-O 2.87Å; R535-N540 PolarHBondContact NE-OD1 2.84Å; R535-N540 PolarHBondContact NH2-OD1 2.74Å; H536-N540 WeakPolarHBondContact O-CA 3.44Å; H536-N540 PolarHBondContact O-N 2.94Å; N540-W542 PolarHBondContact O-N 3.17Å
541A82.7Confident85.7Confident36 Ų3638.7 Ų38.730%0.29822%0.216SC..  trans-63.2128.5-176.600000110.9R535 H536 T539R535-A541 WeakPolarHBondContact CA-O 3.29Å; H536-A541 HydrophobicContact CB-CB 4.35Å; H536-A541 PolarHBondContact N-O 2.96Å; T539-A541 PolarHBondContact O-N 2.77Å; T539-A541 WeakPolarHBondContact OG1-CB 3.26Å; T539-A541 PolarHBondContact OG1-N 2.8Å
542W89.8Confident85.8Confident50 Ų5038.2 Ų38.219%0.18922%0.215CC..EExtended strand (participates in β ladder)trans-94.6130.5169.4-177.3-115.4000109.1I437 Y506 D507 L508 A525 G533 R535 N540 V544I437-W542 HydrophobicContact CD1-CH2 3.68Å; I437-W542 HydrophobicContact CD1-CZ2 3.64Å; Y506-W542 HydrophobicContact CD1-CB 3.41Å; Y506-W542 VanDerWaalsContact CD1-CB 3.41Å; Y506-W542 HydrophobicContact CD1-CD2 4.23Å; Y506-W542 AromaticContact CD1-CG 3.77Å; Y506-W542 HydrophobicContact CD1-CG 3.77Å; Y506-W542 HydrophobicContact CD2-CE3 4.29Å; Y506-W542 HydrophobicContact CE1-CB 3.82Å; Y506-W542 HydrophobicContact CG-CB 4.05Å; Y506-W542 AromaticContact CG-CD2 3.93Å; Y506-W542 HydrophobicContact CG-CD2 3.93Å; Y506-W542 HydrophobicContact CG-CE3 4.12Å; Y506-W542 AromaticContact CG-CG 3.92Å; Y506-W542 HydrophobicContact CG-CG 3.92Å; D507-W542 PolarHBondContact O-NE1 2.84Å; L508-W542 HydrophobicContact CD1-CZ2 4.26Å; A525-W542 HydrophobicContact CB-CH2 3.77Å; A525-W542 HydrophobicContact CB-CZ2 4.24Å; G533-W542 VanDerWaalsContact C-CH2 3.46Å; R535-W542 HydrophobicContact CB-CE3 3.99Å; R535-W542 HydrophobicContact CB-CZ3 4.2Å; N540-W542 PolarHBondContact O-N 3.17Å; W542-V544 HydrophobicContact CZ2-CG2 4.33Å
543Q84.6Confident86Confident36 Ų3641.2 Ų41.217%0.16823%0.226CC..EExtended strand (participates in β ladder)trans-133.1134.4-176.8-58.1180-68.100108.3G533 V534 W545G533-Q543 CarbonylContact C-O 3.53Å; G533-Q543 WeakPolarHBondContact CA-O 3.39Å; V534-Q543 PolarHBondContact N-O 2.87Å; V534-Q543 PolarHBondContact O-N 2.86Å; V534-Q543 VanDerWaalsContact O-N 3.08Å; Q543-W545 HydrophobicContact CB-CE3 4.26Å; Q543-W545 HydrophobicContact CB-CH2 3.07Å; Q543-W545 HydrophobicContact CB-CZ2 3.61Å; Q543-W545 HydrophobicContact CB-CZ3 3.42Å; Q543-W545 VanDerWaalsContact CB-CZ3 3.42Å; Q543-W545 HydrophobicContact CG-CH2 3.99Å; Q543-W545 HydrophobicContact CG-CZ2 4.36Å; Q543-W545 VanDerWaalsContact O-CZ3 3.29Å; Q543-W545 WeakPolarHBondContact O-CZ3 3.26Å
544V87.5Confident86.1Confident32 Ų3241.7 Ų41.719%0.19423%0.23CC..EExtended strand (participates in β ladder)trans-129132.5-176.1-176.40000109.6L508 N509 L531 V532 W542L508-V544 HydrophobicContact CD1-CG1 3.88Å; L508-V544 HydrophobicContact CD1-CG2 4.2Å; N509-V544 WeakPolarHBondContact ND2-CG1 3.39Å; L531-V544 HydrophobicContact CB-CG1 4.33Å; L531-V544 HydrophobicContact CD1-CG1 4.37Å; V532-V544 WeakPolarHBondContact O-CA 3.39Å; W542-V544 HydrophobicContact CZ2-CG2 4.33Å
545W83.9Confident86.1Confident51 Ų5144.2 Ų44.219%0.19325%0.245CC..EExtended strand (participates in β ladder)trans-128.1159.3177.4-59.1-97.4000111.2L531 V532 V534 Q543 F578 L587L531-W545 WeakPolarHBondContact CA-O 3.17Å; V532-W545 PolarHBondContact N-O 2.81Å; V532-W545 PolarHBondContact O-N 2.96Å; V534-W545 HydrophobicContact CB-CZ3 4.21Å; V534-W545 HydrophobicContact CG2-CZ3 4.43Å; Q543-W545 HydrophobicContact CB-CE3 4.26Å; Q543-W545 HydrophobicContact CB-CH2 3.07Å; Q543-W545 HydrophobicContact CB-CZ2 3.61Å; Q543-W545 HydrophobicContact CB-CZ3 3.42Å; Q543-W545 VanDerWaalsContact CB-CZ3 3.42Å; Q543-W545 HydrophobicContact CG-CH2 3.99Å; Q543-W545 HydrophobicContact CG-CZ2 4.36Å; Q543-W545 VanDerWaalsContact O-CZ3 3.29Å; Q543-W545 WeakPolarHBondContact O-CZ3 3.26Å; W545-F578 HydrophobicContact CE3-CE1 4.26Å; W545-F578 AromaticContact CH2-CD1 3.57Å; W545-F578 HydrophobicContact CH2-CD1 3.57Å; W545-F578 AromaticContact CH2-CE1 3.6Å; W545-F578 HydrophobicContact CH2-CE1 3.6Å; W545-F578 AromaticContact CZ3-CD1 3.88Å; W545-F578 HydrophobicContact CZ3-CD1 3.88Å; W545-F578 AromaticContact CZ3-CE1 3.45Å; W545-F578 HydrophobicContact CZ3-CE1 3.45Å; W545-F578 VanDerWaalsContact CZ3-CE1 3.45Å; W545-L587 HydrophobicContact CB-CD2 4.18Å; W545-L587 HydrophobicContact CD2-CB 4.42Å; W545-L587 HydrophobicContact CD2-CD1 4.17Å; W545-L587 HydrophobicContact CD2-CD2 3.56Å; W545-L587 HydrophobicContact CD2-CG 4.24Å; W545-L587 HydrophobicContact CE3-CD1 4.41Å; W545-L587 HydrophobicContact CE3-CD2 3.72Å; W545-L587 HydrophobicContact CG-CB 4.31Å; W545-L587 HydrophobicContact CG-CD2 3.79Å; W545-L587 HydrophobicContact CH2-CD1 3.71Å; W545-L587 HydrophobicContact CZ2-CD1 3.47Å; W545-L587 VanDerWaalsContact CZ2-CD1 3.47Å; W545-L587 HydrophobicContact CZ2-CD2 4.44Å; W545-L587 HydrophobicContact CZ2-CG 4.38Å; W545-L587 HydrophobicContact CZ3-CD1 4.21Å; W545-L587 HydrophobicContact CZ3-CD2 4.22Å
546S83.3Confident86Confident77 Ų7744.5 Ų44.554%0.53825%0.249SC..EExtended strand (participates in β ladder)trans-105.2142.6174.5-167.80000111.1G530G530-S546 CarbonylContact O-C 3.58Å; G530-S546 WeakPolarHBondContact O-CA 3.49Å
547T83.9Confident85.9Confident30 Ų3045.9 Ų45.918%0.18427%0.268CS..  trans-140.9-176.5174.9-176.70000109G530 V532 I550 L563G530-T547 VanDerWaalsContact O-CG2 3.22Å; G530-T547 WeakPolarHBondContact O-CG2 3.24Å; G530-T547 PolarHBondContact O-N 3.16Å; V532-T547 HydrophobicContact CG2-CG2 3.96Å; T547-I550 HydrophobicContact CG2-CD1 3.97Å; T547-I550 HydrophobicContact CG2-CG1 4.1Å; T547-L563 HydrophobicContact CG2-CD1 4.42Å
548V86.2Confident85.7Confident54 Ų5447.9 Ų47.933%0.32728%0.284SS..SBendtrans-59.2144.7171.1-179.40000109.7I550 C565V548-I550 PolarHBondContact O-N 3.03Å; V548-C565 HydrophobicContact CB-CB 4.13Å; V548-C565 HydrophobicContact CG1-CB 3.95Å
549P92.1Very high85.9Confident50 Ų5044.4 Ų44.433%0.32527%0.266SS..  trans-44.6125.9174.8-3437.9000113.7R528 C565 A566R528-P549 CarbonylContact O-C 3.59Å; R528-P549 VanDerWaalsContact O-CA 3.25Å; R528-P549 WeakPolarHBondContact O-CA 3.47Å; R528-P549 WeakPolarHBondContact O-CB 3.33Å; P549-C565 WeakPolarHBondContact O-CA 3.44Å; P549-A566 HydrophobicContact CB-CB 3.98Å; P549-A566 PolarHBondContact O-N 3.22Å
550I92.5Very high86.3Confident0 Ų041.9 Ų41.90%025%0.249CC..EExtended strand (participates in β ladder)trans-91.6124-173.4-61.4163.7000108.1L526 R528 V532 T547 V548 S552 L563L526-I550 HydrophobicContact CD2-CD1 4.28Å; R528-I550 WeakPolarHBondContact CA-O 3.46Å; R528-I550 PolarHBondContact O-N 2.8Å; R528-I550 VanDerWaalsContact O-N 3.15Å; V532-I550 HydrophobicContact CG2-CD1 3.85Å; T547-I550 HydrophobicContact CG2-CD1 3.97Å; T547-I550 HydrophobicContact CG2-CG1 4.1Å; V548-I550 PolarHBondContact O-N 3.03Å; I550-S552 WeakPolarHBondContact CG2-O 3.27Å; I550-L563 HydrophobicContact CD1-CD1 3.84Å; I550-L563 HydrophobicContact CD1-CD2 4.28Å; I550-L563 HydrophobicContact CG1-CD1 4.17Å; I550-L563 HydrophobicContact CG2-CD2 4.13Å
551L93.2Very high86.7Confident18 Ų1838.5 Ų38.59%0.09423%0.231CC..EExtended strand (participates in β ladder)trans-109.2-25.9-179.9-56.2-174.2000112.4G564 A566 P600 T602 I1016L551-G564 PolarHBondContact N-O 2.78Å; L551-A566 HydrophobicContact CD1-CB 3.81Å; L551-A566 HydrophobicContact CD2-CB 4.26Å; L551-A566 HydrophobicContact CG-CB 3.98Å; L551-P600 HydrophobicContact CD1-CB 3.63Å; L551-T602 HydrophobicContact CD1-CG2 4.12Å; L551-I1016 HydrophobicContact CB-CD1 3.94Å; L551-I1016 HydrophobicContact CD1-CD1 4.1Å; L551-I1016 HydrophobicContact CD2-CD1 3.92Å; L551-I1016 HydrophobicContact CG-CD1 4.2Å
552S93.8Very high87.3Confident9 Ų936.8 Ų36.86%0.06322%0.217CC..EExtended strand (participates in β ladder)trans-149.2163.9174.557.50000111.5I550 G564 I601I550-S552 WeakPolarHBondContact CG2-O 3.27Å; S552-G564 PolarHBondContact N-O 2.98Å; S552-G564 VanDerWaalsContact N-O 3.16Å; S552-G564 PolarHBondContact O-N 3.46Å; S552-G564 WeakPolarHBondContact OG-CA 3.14Å; S552-I601 PolarHBondContact OG-O 2.86Å
553Y94.1Very high87.5Confident64 Ų6434.4 Ų34.425%0.25121%0.207SC..EExtended strand (participates in β ladder)trans-145.8160.1172.577.7-82.5000110.8Y515 L517 L526 V555 L561 L562Y515-Y553 HydrophobicContact CD1-CD1 4.02Å; Y515-Y553 AromaticContact CD1-CE1 3.44Å; Y515-Y553 HydrophobicContact CD1-CE1 3.44Å; Y515-Y553 VanDerWaalsContact CD1-CE1 3.44Å; Y515-Y553 HydrophobicContact CD2-CD1 4.15Å; Y515-Y553 HydrophobicContact CD2-CE1 4.32Å; Y515-Y553 HydrophobicContact CE1-CD1 4.23Å; Y515-Y553 AromaticContact CE1-CE1 3.9Å; Y515-Y553 HydrophobicContact CE1-CE1 3.9Å; Y515-Y553 HydrophobicContact CE2-CD1 4.37Å; Y515-Y553 AromaticContact CG-CD1 3.95Å; Y515-Y553 HydrophobicContact CG-CD1 3.95Å; Y515-Y553 AromaticContact CG-CE1 3.66Å; Y515-Y553 HydrophobicContact CG-CE1 3.66Å; L517-Y553 HydrophobicContact CD1-CD2 4.48Å; L517-Y553 HydrophobicContact CD1-CE2 3.74Å; L517-Y553 HydrophobicContact CD2-CE2 4.29Å; L526-Y553 HydrophobicContact CD1-CD1 4.18Å; L526-Y553 HydrophobicContact CD1-CD2 4.44Å; L526-Y553 HydrophobicContact CD1-CG 3.92Å; Y553-V555 HydrophobicContact CD2-CG2 4.49Å; Y553-V555 HydrophobicContact CE2-CG2 4.43Å; Y553-L561 HydrophobicContact CD2-CD1 3.99Å; Y553-L562 CarbonylContact C-O 3.58Å; Y553-L562 WeakPolarHBondContact CA-O 3.48Å; Y553-L562 WeakPolarHBondContact CB-O 3.31Å
554A92.7Very high88Confident10 Ų1032.7 Ų32.78%0.08320%0.199CC..EExtended strand (participates in β ladder)trans-148.6154.8170.300000110.3L562 L604 V606A554-L562 PolarHBondContact N-O 2.8Å; A554-L562 PolarHBondContact O-N 2.97Å; A554-L604 HydrophobicContact CB-CB 4.33Å; A554-L604 HydrophobicContact CB-CD2 3.97Å; A554-L604 HydrophobicContact CB-CG 3.85Å; A554-V606 HydrophobicContact CB-CG2 3.78Å
555V90.1Very high88.3Confident55 Ų5531.1 Ų31.133%0.33319%0.19SC..EExtended strand (participates in β ladder)trans-112.7126.3179.4-173.10000109.3L517 I519 Y553 G557 L561L517-V555 HydrophobicContact CD1-CG2 3.7Å; I519-V555 HydrophobicContact CD1-CG1 3.97Å; I519-V555 HydrophobicContact CD1-CG2 3.69Å; I519-V555 HydrophobicContact CG1-CG1 4.02Å; I519-V555 HydrophobicContact CG1-CG2 4.07Å; I519-V555 HydrophobicContact CG2-CG1 3.96Å; Y553-V555 HydrophobicContact CD2-CG2 4.49Å; Y553-V555 HydrophobicContact CE2-CG2 4.43Å; V555-G557 WeakPolarHBondContact CG1-O 3.28Å; V555-L561 HydrophobicContact CG2-CD1 4.36Å
556A87Confident88.8Confident9 Ų930.5 Ų30.57%0.07420%0.196CC..EExtended strand (participates in β ladder)trans-107.699.6178.400000109.5L560 V606 M620A556-L560 HydrophobicContact CB-CB 4.21Å; A556-L560 HydrophobicContact CB-CD2 4.29Å; A556-L560 PolarHBondContact N-O 2.82Å; A556-L560 PolarHBondContact O-N 2.94Å; A556-V606 HydrophobicContact CB-CG1 3.97Å; A556-M620 HydrophobicContact CB-CE 4.36Å; A556-M620 HydrophobicContact CB-SD 4.38Å
557G76.7Confident89.3Confident49 Ų4928.6 Ų28.651%0.50518%0.182SC..THydrogen-bonded Turntrans67.6-147.3-176.600000112.6V555V555-G557 WeakPolarHBondContact CG1-O 3.28Å
558S73.5Confident89.8Confident75 Ų7527.1 Ų27.152%0.52417%0.174SC..THydrogen-bonded Turntrans-94.15.5-175.448.50000115
559E77.6Confident90.2Very high71 Ų7124.7 Ų24.733%0.33216%0.159SC..THydrogen-bonded Turntrans-139.6-27.6-161.8-46.6-172.4174.200115.6N574 I575 Q576E559-N574 CarbonylContact O-C 3.5Å; E559-N574 WeakPolarHBondContact O-CA 3.49Å; E559-I575 PolarHBondContact O-N 2.94Å; E559-Q576 HydrophobicContact CB-CG 4.42Å; E559-Q576 VanDerWaalsContact CD-CD 3.44Å; E559-Q576 HydrophobicContact CG-CG 4.22Å; E559-Q576 VanDerWaalsContact CG-NE2 3.34Å; E559-Q576 PolarHBondContact OE1-NE2 3.25Å
560L85.6Confident90.3Very high32 Ų3222.3 Ų22.317%0.16814%0.143CC..EExtended strand (participates in β ladder)trans-118116.4-167.4-168.175.2000110.6A556 L562 N574 M620A556-L560 HydrophobicContact CB-CB 4.21Å; A556-L560 HydrophobicContact CB-CD2 4.29Å; A556-L560 PolarHBondContact N-O 2.82Å; A556-L560 PolarHBondContact O-N 2.94Å; L560-L562 HydrophobicContact CD2-CD2 3.89Å; L560-L562 HydrophobicContact CG-CD2 4.01Å; L560-N574 HydrophobicContact CD1-CB 4.05Å; L560-M620 HydrophobicContact CD2-CE 3.78Å; L560-M620 HydrophobicContact CD2-SD 4.31Å
561L91.1Very high90.2Very high0 Ų022.7 Ų22.70%015%0.146CC..EExtended strand (participates in β ladder)trans-95.9128171.5171.565.4000108.8I519 V524 L526 Y553 V555 L563 S572 I573 I575I519-L561 HydrophobicContact CD1-CB 4.16Å; I519-L561 HydrophobicContact CD1-CD1 4.21Å; V524-L561 HydrophobicContact CG1-CD2 4.05Å; L526-L561 HydrophobicContact CD2-CD2 4.2Å; Y553-L561 HydrophobicContact CD2-CD1 3.99Å; V555-L561 HydrophobicContact CG2-CD1 4.36Å; L561-L563 HydrophobicContact CD1-CD2 4.18Å; L561-L563 HydrophobicContact CD2-CD2 4.13Å; L561-L563 HydrophobicContact CG-CD2 4.01Å; L561-L563 HydrophobicContact CG-CG 4.45Å; L561-S572 CarbonylContact O-C 3.46Å; L561-S572 WeakPolarHBondContact O-CA 3.3Å; L561-I573 HydrophobicContact CB-CB 4.28Å; L561-I573 PolarHBondContact N-O 3.37Å; L561-I573 PolarHBondContact O-N 3.11Å; L561-I575 HydrophobicContact CB-CD1 3.93Å
562L93.6Very high90Very high0 Ų022.4 Ų22.40%015%0.146CC..EExtended strand (participates in β ladder)trans-105.1139.6171.2-54-170.7000109.7Y553 A554 L560 I570 C571 M592 L604 V606 I622Y553-L562 CarbonylContact C-O 3.58Å; Y553-L562 WeakPolarHBondContact CA-O 3.48Å; Y553-L562 WeakPolarHBondContact CB-O 3.31Å; A554-L562 PolarHBondContact N-O 2.8Å; A554-L562 PolarHBondContact O-N 2.97Å; L560-L562 HydrophobicContact CD2-CD2 3.89Å; L560-L562 HydrophobicContact CG-CD2 4.01Å; L562-I570 HydrophobicContact CB-CG2 4.24Å; L562-I570 HydrophobicContact CD1-CG2 4.48Å; L562-C571 CarbonylContact C-O 3.59Å; L562-C571 WeakPolarHBondContact CA-O 3.3Å; L562-M592 HydrophobicContact CD1-SD 4.5Å; L562-M592 HydrophobicContact CD2-SD 3.92Å; L562-L604 HydrophobicContact CB-CD2 3.74Å; L562-V606 HydrophobicContact CD1-CG2 3.57Å; L562-V606 HydrophobicContact CG-CG2 4.43Å; L562-I622 HydrophobicContact CD1-CD1 3.69Å; L562-I622 HydrophobicContact CD1-CG1 4.36Å
563L94.4Very high89.7Confident0 Ų022 Ų220%014%0.143CC..EExtended strand (participates in β ladder)trans-122.4123.3179-58178.9000109.4L526 V532 T547 I550 L561 I570 C571 I573L526-L563 HydrophobicContact CD1-CD2 3.83Å; L526-L563 HydrophobicContact CD2-CD2 4.17Å; V532-L563 HydrophobicContact CG2-CD1 3.95Å; T547-L563 HydrophobicContact CG2-CD1 4.42Å; I550-L563 HydrophobicContact CD1-CD1 3.84Å; I550-L563 HydrophobicContact CD1-CD2 4.28Å; I550-L563 HydrophobicContact CG1-CD1 4.17Å; I550-L563 HydrophobicContact CG2-CD2 4.13Å; L561-L563 HydrophobicContact CD1-CD2 4.18Å; L561-L563 HydrophobicContact CD2-CD2 4.13Å; L561-L563 HydrophobicContact CG-CD2 4.01Å; L561-L563 HydrophobicContact CG-CG 4.45Å; L563-I570 CarbonylContact O-C 3.53Å; L563-I570 WeakPolarHBondContact O-CA 3.19Å; L563-C571 HydrophobicContact CB-CB 4.48Å; L563-C571 PolarHBondContact N-O 2.99Å; L563-C571 PolarHBondContact O-N 3.27Å; L563-I573 HydrophobicContact CD1-CD1 3.55Å; L563-I573 HydrophobicContact CD1-CG1 4.47Å; L563-I573 HydrophobicContact CG-CD1 4.3Å
564G95.1Very high89.2Confident0 Ų020.2 Ų20.20%014%0.138CC..EExtended strand (participates in β ladder)trans-86.9116.9168.300000110L551 S552L551-G564 PolarHBondContact N-O 2.78Å; S552-G564 PolarHBondContact N-O 2.98Å; S552-G564 VanDerWaalsContact N-O 3.16Å; S552-G564 PolarHBondContact O-N 3.46Å; S552-G564 WeakPolarHBondContact OG-CA 3.14Å
565C94.5Very high88.6Confident0 Ų019.9 Ų19.90%013%0.134CC..EExtended strand (participates in β ladder)trans-102.7155.2-169.4-640000112.8V548 P549 S567 G568 C569 I601V548-C565 HydrophobicContact CB-CB 4.13Å; V548-C565 HydrophobicContact CG1-CB 3.95Å; P549-C565 WeakPolarHBondContact O-CA 3.44Å; C565-S567 PolarHBondContact O-N 3.08Å; C565-S567 VanDerWaalsContact O-N 3.08Å; C565-G568 PolarHBondContact O-N 3.23Å; C565-G568 VanDerWaalsContact O-N 3.08Å; C565-C569 WeakPolarHBondContact CB-O 3.32Å; C565-C569 PolarHBondContact N-O 2.82Å; C565-I601 PolarHBondContact O-N 3.37Å
566A94.4Very high87.8Confident38 Ų3821.9 Ų21.931%0.31414%0.14SC..THydrogen-bonded Turntrans-64.5-10.1176.300000115P549 L551P549-A566 HydrophobicContact CB-CB 3.98Å; P549-A566 PolarHBondContact O-N 3.22Å; L551-A566 HydrophobicContact CD1-CB 3.81Å; L551-A566 HydrophobicContact CD2-CB 4.26Å; L551-A566 HydrophobicContact CG-CB 3.98Å
567S92.7Very high87Confident36 Ų3626.3 Ų26.325%0.25216%0.158SC..THydrogen-bonded Turntrans-92.97.8174.664.70000113.7C565 C569 R594C565-S567 PolarHBondContact O-N 3.08Å; C565-S567 VanDerWaalsContact O-N 3.08Å; S567-C569 VanDerWaalsContact C-N 3.35Å; S567-C569 PolarHBondContact OG-SG 2.96Å; S567-R594 PolarHBondContact O-NH1 2.92Å
568G94.2Very high86.4Confident0 Ų024.3 Ų24.30%014%0.135CC..SBendtrans74.518.6-177.700000114.7C565 R594 D595 D599C565-G568 PolarHBondContact O-N 3.23Å; C565-G568 VanDerWaalsContact O-N 3.08Å; G568-R594 CarbonylContact O-C 3.59Å; G568-R594 WeakPolarHBondContact O-CA 3.49Å; G568-D595 PolarHBondContact O-N 2.97Å; G568-D599 VanDerWaalsContact CA-O 3.24Å; G568-D599 WeakPolarHBondContact CA-O 3.41Å
569C94.4Very high85.6Confident2 Ų223 Ų231%0.01413%0.125CC..EExtended strand (participates in β ladder)trans-105.1153.7171.365.80000113.3C565 S567 C571 E591 Y593 R594C565-C569 WeakPolarHBondContact CB-O 3.32Å; C565-C569 PolarHBondContact N-O 2.82Å; S567-C569 VanDerWaalsContact C-N 3.35Å; S567-C569 PolarHBondContact OG-SG 2.96Å; C569-C571 VanDerWaalsContact SG-SG 3.65Å; C569-E591 HydrophobicContact CB-CG 4.04Å; C569-Y593 CarbonylContact C-O 3.6Å; C569-Y593 WeakPolarHBondContact CA-O 3.29Å; C569-Y593 WeakPolarHBondContact CB-O 3.5Å; C569-R594 HydrophobicContact CB-CB 4.45Å
570I94.9Very high84.7Confident0 Ų026.1 Ų26.10%014%0.143CC..EExtended strand (participates in β ladder)trans-102113.1165.7-54.8177.2000106.6L562 L563 M592 Y593 I601 L604 Y624 I634L562-I570 HydrophobicContact CB-CG2 4.24Å; L562-I570 HydrophobicContact CD1-CG2 4.48Å; L563-I570 CarbonylContact O-C 3.53Å; L563-I570 WeakPolarHBondContact O-CA 3.19Å; I570-M592 WeakPolarHBondContact O-CB 3.23Å; I570-M592 PolarHBondContact O-N 3.23Å; I570-Y593 HydrophobicContact CD1-CD1 4.09Å; I570-Y593 HydrophobicContact CG1-CD1 4.48Å; I570-Y593 PolarHBondContact N-O 2.82Å; I570-Y593 PolarHBondContact O-N 3.38Å; I570-I601 HydrophobicContact CD1-CD1 4.19Å; I570-I601 HydrophobicContact CG1-CD1 3.49Å; I570-I601 VanDerWaalsContact CG1-CD1 3.49Å; I570-L604 HydrophobicContact CD1-CD1 3.98Å; I570-L604 HydrophobicContact CG2-CD2 4.39Å; I570-Y624 HydrophobicContact CD1-CD1 4.01Å; I570-Y624 HydrophobicContact CD1-CG 4.4Å; I570-I634 HydrophobicContact CD1-CD1 3.69Å
571C91.1Very high83.4Confident8 Ų828 Ų285%0.05415%0.148CC..EExtended strand (participates in β ladder)trans-96.4133.5173.6-67.60000109.8L562 L563 C569 V589 T590L562-C571 CarbonylContact C-O 3.59Å; L562-C571 WeakPolarHBondContact CA-O 3.3Å; L563-C571 HydrophobicContact CB-CB 4.48Å; L563-C571 PolarHBondContact N-O 2.99Å; L563-C571 PolarHBondContact O-N 3.27Å; C569-C571 VanDerWaalsContact SG-SG 3.65Å; C571-V589 HydrophobicContact CB-CG1 3.78Å; C571-T590 CarbonylContact C-O 3.51Å; C571-T590 WeakPolarHBondContact CA-O 3.21Å
572S89.3Confident81.7Confident13 Ų1331.1 Ų31.19%0.09116%0.163CC..EExtended strand (participates in β ladder)trans-104.6142174.167.10000111.1L561 L588 T590L561-S572 CarbonylContact O-C 3.46Å; L561-S572 WeakPolarHBondContact O-CA 3.3Å; S572-L588 VanDerWaalsContact O-O 3.06Å; S572-T590 PolarHBondContact N-O 3.24Å; S572-T590 PolarHBondContact O-N 3.05Å; S572-T590 PolarHBondContact O-OG1 2.89Å; S572-T590 PolarHBondContact OG-O 3.09Å; S572-T590 PolarHBondContact OG-OG1 2.97Å
573I86.8Confident79.8Confident0 Ų037.1 Ų37.10%020%0.2CC..EExtended strand (participates in β ladder)trans-131.8111-176.6-65.3-176.3000107.6V532 L561 L563 I575 F578 V589V532-I573 HydrophobicContact CG1-CD1 4.3Å; V532-I573 HydrophobicContact CG2-CD1 4.3Å; L561-I573 HydrophobicContact CB-CB 4.28Å; L561-I573 PolarHBondContact N-O 3.37Å; L561-I573 PolarHBondContact O-N 3.11Å; L563-I573 HydrophobicContact CD1-CD1 3.55Å; L563-I573 HydrophobicContact CD1-CG1 4.47Å; L563-I573 HydrophobicContact CG-CD1 4.3Å; I573-I575 HydrophobicContact CG2-CG1 4.34Å; I573-F578 HydrophobicContact CG2-CE2 3.4Å; I573-F578 VanDerWaalsContact CG2-CE2 3.4Å; I573-F578 HydrophobicContact CG2-CZ 3.42Å; I573-F578 VanDerWaalsContact CG2-CZ 3.42Å; I573-V589 HydrophobicContact CD1-CG2 4Å; I573-V589 HydrophobicContact CG1-CB 4.5Å; I573-V589 HydrophobicContact CG1-CG1 4.46Å; I573-V589 HydrophobicContact CG1-CG2 4.16Å
574N84.1Confident78Confident27 Ų2742.1 Ų42.114%0.14423%0.227CC..EExtended strand (participates in β ladder)trans-88.3111.9174-179.9-73.7000109.9E559 L560 Q576 K577 F578E559-N574 CarbonylContact O-C 3.5Å; E559-N574 WeakPolarHBondContact O-CA 3.49Å; L560-N574 HydrophobicContact CD1-CB 4.05Å; N574-Q576 PolarHBondContact OD1-N 3.29Å; N574-K577 HydrophobicContact CB-CD 4.19Å; N574-K577 PolarHBondContact O-N 3.03Å; N574-K577 VanDerWaalsContact OD1-CG 3.29Å; N574-K577 WeakPolarHBondContact OD1-CG 3.21Å; N574-K577 PolarHBondContact OD1-N 3.31Å; N574-F578 VanDerWaalsContact O-CD2 3.26Å; N574-F578 WeakPolarHBondContact O-CD2 3.49Å; N574-F578 WeakPolarHBondContact O-CE2 3.43Å
575I80.1Confident75.9Confident2 Ų248 Ų481%0.0126%0.258CS..G310 helixtrans-75-33.8-170.5-68165.5000112I519 H522 V524 V534 E559 L561 I573 K577 F578I519-I575 HydrophobicContact CB-CD1 3.96Å; I519-I575 HydrophobicContact CD1-CD1 3.47Å; I519-I575 VanDerWaalsContact CD1-CD1 3.47Å; I519-I575 HydrophobicContact CG1-CD1 4.28Å; I519-I575 HydrophobicContact CG2-CD1 3.93Å; H522-I575 HydrophobicContact CB-CG2 3.72Å; H522-I575 VanDerWaalsContact CG-CG2 3.44Å; V524-I575 HydrophobicContact CG2-CD1 3.97Å; V534-I575 HydrophobicContact CG1-CG2 4.45Å; E559-I575 PolarHBondContact O-N 2.94Å; L561-I575 HydrophobicContact CB-CD1 3.93Å; I573-I575 HydrophobicContact CG2-CG1 4.34Å; I575-K577 PolarHBondContact O-N 3Å; I575-F578 HydrophobicContact CG1-CE2 4.45Å; I575-F578 WeakPolarHBondContact O-CB 3.44Å; I575-F578 WeakPolarHBondContact O-CD2 3.33Å; I575-F578 PolarHBondContact O-N 3.44Å; I575-F578 VanDerWaalsContact O-N 3.12Å
576Q72Confident74.1Confident98 Ų9852.5 Ų52.546%0.45828%0.282SS..G310 helixtrans-63.1-26.3175.4-74.8-172.76.500113.4E559 N574 F578 P579E559-Q576 HydrophobicContact CB-CG 4.42Å; E559-Q576 VanDerWaalsContact CD-CD 3.44Å; E559-Q576 HydrophobicContact CG-CG 4.22Å; E559-Q576 VanDerWaalsContact CG-NE2 3.34Å; E559-Q576 PolarHBondContact OE1-NE2 3.25Å; N574-Q576 PolarHBondContact OD1-N 3.29Å; Q576-F578 VanDerWaalsContact C-N 3.28Å; Q576-F578 PolarHBondContact O-N 3.07Å; Q576-P579 WeakPolarHBondContact O-CD 3.38Å; Q576-P579 WeakPolarHBondContact O-CG 3.42Å
577K71.2Confident72.4Confident102 Ų10252 Ų5244%0.44327%0.274SS..G310 helixtrans-78.5-7.2177-72.4173.9-171.6179.90114N574 I575 L580 R581 L588N574-K577 HydrophobicContact CB-CD 4.19Å; N574-K577 PolarHBondContact O-N 3.03Å; N574-K577 VanDerWaalsContact OD1-CG 3.29Å; N574-K577 WeakPolarHBondContact OD1-CG 3.21Å; N574-K577 PolarHBondContact OD1-N 3.31Å; I575-K577 PolarHBondContact O-N 3Å; K577-L580 PolarHBondContact O-N 2.72Å; K577-R581 PolarHBondContact O-N 3.02Å; K577-L588 HydrophobicContact CB-CD1 3.9Å; K577-L588 HydrophobicContact CD-CD1 3.51Å; K577-L588 HydrophobicContact CG-CD1 4.31Å
578F63.7Low71.1Confident7 Ų752.1 Ų52.13%0.03127%0.272CS..Hα-helixtrans-60.2-53.6176.1-77.4-133.2000111.4V534 W545 I573 N574 I575 Q576 L580 R581 I582 L587V534-F578 HydrophobicContact CB-CD1 3.88Å; V534-F578 HydrophobicContact CB-CE1 3.63Å; V534-F578 HydrophobicContact CG1-CD1 3.87Å; V534-F578 HydrophobicContact CG1-CE1 3.99Å; V534-F578 HydrophobicContact CG2-CD1 4.14Å; V534-F578 HydrophobicContact CG2-CE1 3.4Å; V534-F578 HydrophobicContact CG2-CZ 3.97Å; W545-F578 HydrophobicContact CE3-CE1 4.26Å; W545-F578 AromaticContact CH2-CD1 3.57Å; W545-F578 HydrophobicContact CH2-CD1 3.57Å; W545-F578 AromaticContact CH2-CE1 3.6Å; W545-F578 HydrophobicContact CH2-CE1 3.6Å; W545-F578 AromaticContact CZ3-CD1 3.88Å; W545-F578 HydrophobicContact CZ3-CD1 3.88Å; W545-F578 AromaticContact CZ3-CE1 3.45Å; W545-F578 HydrophobicContact CZ3-CE1 3.45Å; W545-F578 VanDerWaalsContact CZ3-CE1 3.45Å; I573-F578 HydrophobicContact CG2-CE2 3.4Å; I573-F578 VanDerWaalsContact CG2-CE2 3.4Å; I573-F578 HydrophobicContact CG2-CZ 3.42Å; I573-F578 VanDerWaalsContact CG2-CZ 3.42Å; N574-F578 VanDerWaalsContact O-CD2 3.26Å; N574-F578 WeakPolarHBondContact O-CD2 3.49Å; N574-F578 WeakPolarHBondContact O-CE2 3.43Å; I575-F578 HydrophobicContact CG1-CE2 4.45Å; I575-F578 WeakPolarHBondContact O-CB 3.44Å; I575-F578 WeakPolarHBondContact O-CD2 3.33Å; I575-F578 PolarHBondContact O-N 3.44Å; I575-F578 VanDerWaalsContact O-N 3.12Å; Q576-F578 VanDerWaalsContact C-N 3.28Å; Q576-F578 PolarHBondContact O-N 3.07Å; F578-L580 PolarHBondContact O-N 3.12Å; F578-R581 PolarHBondContact O-N 3.47Å; F578-I582 WeakPolarHBondContact O-CG1 3.47Å; F578-I582 PolarHBondContact O-N 3.04Å; F578-L587 HydrophobicContact CD1-CD1 3.69Å; F578-L587 HydrophobicContact CD2-CD1 4.05Å; F578-L587 HydrophobicContact CE1-CD1 3.44Å; F578-L587 VanDerWaalsContact CE1-CD1 3.44Å; F578-L587 HydrophobicContact CE1-CD2 3.93Å; F578-L587 HydrophobicContact CE1-CG 4.19Å; F578-L587 HydrophobicContact CE2-CD1 3.83Å; F578-L587 HydrophobicContact CE2-CD2 4.48Å; F578-L587 HydrophobicContact CE2-CG 4.29Å; F578-L587 HydrophobicContact CG-CD1 4Å; F578-L587 HydrophobicContact CZ-CD1 3.53Å; F578-L587 HydrophobicContact CZ-CD2 3.67Å; F578-L587 HydrophobicContact CZ-CG 3.9Å
579P56.3Low70.2Confident47 Ų4754.4 Ų54.431%0.30529%0.286SS..Hα-helixtrans-43-41.6172.9-23.715.9000115H536 Q576H536-P579 WeakPolarHBondContact NE2-CB 3.49Å; H536-P579 WeakPolarHBondContact NE2-CG 3.29Å; Q576-P579 WeakPolarHBondContact O-CD 3.38Å; Q576-P579 WeakPolarHBondContact O-CG 3.42Å
580L58.6Low69.7Low137 Ų13757.4 Ų57.472%0.71730%0.304SS*.Hα-helixtrans-81.9-15.9-175-61.3176.4000113.7K577 F578K577-L580 PolarHBondContact O-N 2.72Å; F578-L580 PolarHBondContact O-N 3.12Å
581R60.1Low69.4Low72 Ų7262.4 Ų62.427%0.27233%0.327SS..Hα-helixtrans-110.47.7-176.5-71.1-156.4162.1-147.9-13.7114.7K577 F578 V583 D584 N585 D586K577-R581 PolarHBondContact O-N 3.02Å; F578-R581 PolarHBondContact O-N 3.47Å; R581-V583 PolarHBondContact O-N 2.94Å; R581-D584 PolarHBondContact O-N 2.84Å; R581-N585 PolarHBondContact O-N 3.41Å; R581-D586 WeakPolarHBondContact CD-O 3.41Å; R581-D586 IonicContact CZ-OD2 3.55Å; R581-D586 PolarHBondContact NH1-O 3.15Å; R581-D586 IonicContact NH1-OD2 3.3Å; R581-D586 PolarHBondContact NH1-OD2 2.82Å; R581-D586 IonicContact NH2-OD2 2.66Å
582I53.8Low69.3Low64 Ų6463.1 Ų63.133%0.32833%0.33SS..THydrogen-bonded Turntrans-55.7-34.5171.9-59.4-179.7000111.1F578F578-I582 WeakPolarHBondContact O-CG1 3.47Å; F578-I582 PolarHBondContact O-N 3.04Å
583V54.7Low69.5Low127 Ų12763.5 Ų63.577%0.7733%0.33SS*.THydrogen-bonded Turntrans-67.9-43.4-178.8-174.70000112.3R581R581-V583 PolarHBondContact O-N 2.94Å
584D56.1Low69.8Low104 Ų10467.4 Ų67.456%0.55635%0.345SS*.THydrogen-bonded Turntrans-88.7-15.3-171.1-57.7-37000113.6R581 D586R581-D584 PolarHBondContact O-N 2.84Å; D584-D586 HydrophobicContact CB-CB 4.05Å; D584-D586 PolarHBondContact O-N 2.96Å
585N51.4Low70.3Confident123 Ų12366.2 Ų66.266%0.65834%0.338SS*.  trans56.7-1.6-164.5-68-85.6000115.7R581 L587R581-N585 PolarHBondContact O-N 3.41Å; N585-L587 PolarHBondContact O-N 3.19Å
586D56.8Low70.9Confident95 Ų9570.4 Ų70.451%0.50837%0.365SS..  trans-78.881.3-174.1-173.748000112R581 D584 L588R581-D586 WeakPolarHBondContact CD-O 3.41Å; R581-D586 IonicContact CZ-OD2 3.55Å; R581-D586 PolarHBondContact NH1-O 3.15Å; R581-D586 IonicContact NH1-OD2 3.3Å; R581-D586 PolarHBondContact NH1-OD2 2.82Å; R581-D586 IonicContact NH2-OD2 2.66Å; D584-D586 HydrophobicContact CB-CB 4.05Å; D584-D586 PolarHBondContact O-N 2.96Å; D586-L588 PolarHBondContact O-N 2.81Å
587L58.1Low71.9Confident28 Ų2871.8 Ų71.815%0.14738%0.375CS..  trans-67132.4-176.6-156.875.8000112.5W545 F578 N585 V589W545-L587 HydrophobicContact CB-CD2 4.18Å; W545-L587 HydrophobicContact CD2-CB 4.42Å; W545-L587 HydrophobicContact CD2-CD1 4.17Å; W545-L587 HydrophobicContact CD2-CD2 3.56Å; W545-L587 HydrophobicContact CD2-CG 4.24Å; W545-L587 HydrophobicContact CE3-CD1 4.41Å; W545-L587 HydrophobicContact CE3-CD2 3.72Å; W545-L587 HydrophobicContact CG-CB 4.31Å; W545-L587 HydrophobicContact CG-CD2 3.79Å; W545-L587 HydrophobicContact CH2-CD1 3.71Å; W545-L587 HydrophobicContact CZ2-CD1 3.47Å; W545-L587 VanDerWaalsContact CZ2-CD1 3.47Å; W545-L587 HydrophobicContact CZ2-CD2 4.44Å; W545-L587 HydrophobicContact CZ2-CG 4.38Å; W545-L587 HydrophobicContact CZ3-CD1 4.21Å; W545-L587 HydrophobicContact CZ3-CD2 4.22Å; F578-L587 HydrophobicContact CD1-CD1 3.69Å; F578-L587 HydrophobicContact CD2-CD1 4.05Å; F578-L587 HydrophobicContact CE1-CD1 3.44Å; F578-L587 VanDerWaalsContact CE1-CD1 3.44Å; F578-L587 HydrophobicContact CE1-CD2 3.93Å; F578-L587 HydrophobicContact CE1-CG 4.19Å; F578-L587 HydrophobicContact CE2-CD1 3.83Å; F578-L587 HydrophobicContact CE2-CD2 4.48Å; F578-L587 HydrophobicContact CE2-CG 4.29Å; F578-L587 HydrophobicContact CG-CD1 4Å; F578-L587 HydrophobicContact CZ-CD1 3.53Å; F578-L587 HydrophobicContact CZ-CD2 3.67Å; F578-L587 HydrophobicContact CZ-CG 3.9Å; N585-L587 PolarHBondContact O-N 3.19Å; L587-V589 HydrophobicContact CD2-CG2 3.99Å; L587-V589 PolarHBondContact O-N 3Å
588L65.3Low73Confident38 Ų3875.5 Ų75.520%0.19939%0.386CS..  trans-7465.1177.4-75.1168.9000112.6S572 K577 D586 T590S572-L588 VanDerWaalsContact O-O 3.06Å; K577-L588 HydrophobicContact CB-CD1 3.9Å; K577-L588 HydrophobicContact CD-CD1 3.51Å; K577-L588 HydrophobicContact CG-CD1 4.31Å; D586-L588 PolarHBondContact O-N 2.81Å; L588-T590 HydrophobicContact CD2-CG2 4.09Å; L588-T590 PolarHBondContact O-N 3.27Å
589V76.5Confident74.5Confident48 Ų4876 Ų7629%0.29139%0.39SS..EExtended strand (participates in β ladder)trans-84.484.9160.2-172.70000107.3C571 I573 L587C571-V589 HydrophobicContact CB-CG1 3.78Å; I573-V589 HydrophobicContact CD1-CG2 4Å; I573-V589 HydrophobicContact CG1-CB 4.5Å; I573-V589 HydrophobicContact CG1-CG1 4.46Å; I573-V589 HydrophobicContact CG1-CG2 4.16Å; L587-V589 HydrophobicContact CD2-CG2 3.99Å; L587-V589 PolarHBondContact O-N 3Å
590T83.6Confident76.4Confident66 Ų6675 Ų7541%0.40538%0.383SS..EExtended strand (participates in β ladder)trans-91.4123.1-178.546.60000110.8C571 S572 L588 M592C571-T590 CarbonylContact C-O 3.51Å; C571-T590 WeakPolarHBondContact CA-O 3.21Å; S572-T590 PolarHBondContact N-O 3.24Å; S572-T590 PolarHBondContact O-N 3.05Å; S572-T590 PolarHBondContact O-OG1 2.89Å; S572-T590 PolarHBondContact OG-O 3.09Å; S572-T590 PolarHBondContact OG-OG1 2.97Å; L588-T590 HydrophobicContact CD2-CG2 4.09Å; L588-T590 PolarHBondContact O-N 3.27Å; T590-M592 PolarHBondContact O-N 3.14Å; T590-M592 VanDerWaalsContact O-N 3.14Å
591E88.3Confident78.2Confident104 Ų10468.5 Ų68.549%0.48635%0.349SS..EExtended strand (participates in β ladder)trans-62.5115.8168.9-176.6165.2144.700109.1C569 R594C569-E591 HydrophobicContact CB-CG 4.04Å; E591-R594 VanDerWaalsContact CD-NH2 3.25Å; E591-R594 IonicContact OE1-CZ 3.74Å; E591-R594 VanDerWaalsContact OE1-CZ 3.31Å; E591-R594 IonicContact OE1-NE 2.88Å; E591-R594 PolarHBondContact OE1-NE 3.45Å; E591-R594 IonicContact OE1-NH2 3.91Å; E591-R594 PolarHBondContact OE1-NH2 3.45Å; E591-R594 VanDerWaalsContact OE1-NH2 3.14Å; E591-R594 IonicContact OE2-CZ 3.96Å; E591-R594 IonicContact OE2-NE 3.75Å; E591-R594 IonicContact OE2-NH2 3.8Å; E591-R594 PolarHBondContact OE2-NH2 3.06Å
592M88.6Confident79.9Confident23 Ų2365.4 Ų65.411%0.11334%0.338CS..EExtended strand (participates in β ladder)trans-95.5-40.4-175.7178.5174.4177.200111.1L562 I570 T590 M620 I622 P645L562-M592 HydrophobicContact CD1-SD 4.5Å; L562-M592 HydrophobicContact CD2-SD 3.92Å; I570-M592 WeakPolarHBondContact O-CB 3.23Å; I570-M592 PolarHBondContact O-N 3.23Å; T590-M592 PolarHBondContact O-N 3.14Å; T590-M592 VanDerWaalsContact O-N 3.14Å; M592-M620 HydrophobicContact CE-SD 3.81Å; M592-I622 HydrophobicContact CE-CD1 3.68Å; M592-I622 HydrophobicContact SD-CD1 4.34Å; M592-P645 HydrophobicContact CE-CG 3.54Å; M592-P645 HydrophobicContact CG-CG 3.88Å; M592-P645 WeakPolarHBondContact O-CD 3.31Å
593Y93.2Very high81.9Confident22 Ų2262.5 Ų62.59%0.08632%0.324CS..EExtended strand (participates in β ladder)trans-152.6158.9-178.4-178.2-94.4000110.5C569 I570 Y624 I634 P645C569-Y593 CarbonylContact C-O 3.6Å; C569-Y593 WeakPolarHBondContact CA-O 3.29Å; C569-Y593 WeakPolarHBondContact CB-O 3.5Å; I570-Y593 HydrophobicContact CD1-CD1 4.09Å; I570-Y593 HydrophobicContact CG1-CD1 4.48Å; I570-Y593 PolarHBondContact N-O 2.82Å; I570-Y593 PolarHBondContact O-N 3.38Å; Y593-Y624 HydrophobicContact CD1-CE1 4.18Å; Y593-Y624 AromaticContact CE1-CE1 3.68Å; Y593-Y624 HydrophobicContact CE1-CE1 3.68Å; Y593-Y624 AromaticContact CE1-CZ 3.79Å; Y593-Y624 WeakPolarHBondContact CE1-OH 3.42Å; Y593-I634 HydrophobicContact CD1-CD1 3.87Å; Y593-I634 HydrophobicContact CD1-CG2 4.37Å; Y593-I634 HydrophobicContact CD2-CD1 4.14Å; Y593-I634 HydrophobicContact CD2-CG2 4.21Å; Y593-I634 HydrophobicContact CE1-CD1 4.49Å; Y593-I634 HydrophobicContact CE1-CG2 3.99Å; Y593-I634 HydrophobicContact CE2-CG2 3.79Å; Y593-I634 HydrophobicContact CG-CD1 3.69Å; Y593-I634 HydrophobicContact CG-CG2 4.49Å; Y593-P645 HydrophobicContact CD2-CB 4.42Å
594R94.4Very high83.8Confident82 Ų8257.2 Ų57.231%0.30929%0.291SS..EExtended strand (participates in β ladder)trans-140.6130.3174.5178.9173.9-68.4-79.5-0.5110.1S567 G568 C569 E591S567-R594 PolarHBondContact O-NH1 2.92Å; G568-R594 CarbonylContact O-C 3.59Å; G568-R594 WeakPolarHBondContact O-CA 3.49Å; C569-R594 HydrophobicContact CB-CB 4.45Å; E591-R594 VanDerWaalsContact CD-NH2 3.25Å; E591-R594 IonicContact OE1-CZ 3.74Å; E591-R594 VanDerWaalsContact OE1-CZ 3.31Å; E591-R594 IonicContact OE1-NE 2.88Å; E591-R594 PolarHBondContact OE1-NE 3.45Å; E591-R594 IonicContact OE1-NH2 3.91Å; E591-R594 PolarHBondContact OE1-NH2 3.45Å; E591-R594 VanDerWaalsContact OE1-NH2 3.14Å; E591-R594 IonicContact OE2-CZ 3.96Å; E591-R594 IonicContact OE2-NE 3.75Å; E591-R594 IonicContact OE2-NH2 3.8Å; E591-R594 PolarHBondContact OE2-NH2 3.06Å
595D93.6Very high85.6Confident1 Ų153 Ų531%0.00527%0.27CS..  trans-60133173.6173.978.1000110G568 L597 R598 D599 Y624 R630G568-D595 PolarHBondContact O-N 2.97Å; D595-L597 PolarHBondContact O-N 2.86Å; D595-L597 VanDerWaalsContact O-N 3.15Å; D595-L597 WeakPolarHBondContact OD2-CA 3.19Å; D595-L597 WeakPolarHBondContact OD2-CB 3.37Å; D595-L597 PolarHBondContact OD2-N 2.87Å; D595-R598 PolarHBondContact O-N 3.3Å; D595-R598 PolarHBondContact OD2-N 2.81Å; D595-R598 VanDerWaalsContact OD2-N 3.16Å; D595-D599 WeakPolarHBondContact OD2-CB 3.43Å; D595-D599 PolarHBondContact OD2-N 2.93Å; D595-D599 VanDerWaalsContact OD2-N 3.16Å; D595-Y624 HydrophobicContact CB-CE2 4.29Å; D595-Y624 PolarHBondContact OD1-OH 3.34Å; D595-R630 IonicContact OD1-CZ 3.99Å; D595-R630 IonicContact OD1-NH1 3.12Å; D595-R630 PolarHBondContact OD1-NH1 2.73Å; D595-R630 IonicContact OD1-NH2 2.64Å; D595-R630 PolarHBondContact OD1-NH2 3.15Å; D595-R630 IonicContact OD2-CZ 3.23Å; D595-R630 IonicContact OD2-NH1 2.95Å; D595-R630 IonicContact OD2-NH2 3.74Å; D595-R630 PolarHBondContact OD2-NH2 3.11Å
596P93.2Very high87.5Confident90 Ų9048.5 Ų48.558%0.58425%0.247SC*.THydrogen-bonded Turntrans-57.8-29.3-176.9-28.536.3000114.9
597L93.4Very high89Confident128 Ų12845.2 Ų45.267%0.6723%0.228SC*.THydrogen-bonded Turntrans-92.8-0.3178.3-50-174.5000112.6D595 D599D595-L597 PolarHBondContact O-N 2.86Å; D595-L597 VanDerWaalsContact O-N 3.15Å; D595-L597 WeakPolarHBondContact OD2-CA 3.19Å; D595-L597 WeakPolarHBondContact OD2-CB 3.37Å; D595-L597 PolarHBondContact OD2-N 2.87Å; L597-D599 PolarHBondContact O-N 3.35Å
598R94.1Very high90.1Very high179 Ų17946.6 Ų46.668%0.67524%0.235SC*.  trans5826.2-174-51.7-179.2179.9-169.2-0.5113.7D595D595-R598 PolarHBondContact O-N 3.3Å; D595-R598 PolarHBondContact OD2-N 2.81Å; D595-R598 VanDerWaalsContact OD2-N 3.16Å
599D95.4Very high90.5Very high18 Ų1845 Ų4510%0.09623%0.227CC..  trans-68.7128.4-178.4-169.1-6.6000110.6G568 D595 L597 I601 T626 L627 S628 R630G568-D599 VanDerWaalsContact CA-O 3.24Å; G568-D599 WeakPolarHBondContact CA-O 3.41Å; D595-D599 WeakPolarHBondContact OD2-CB 3.43Å; D595-D599 PolarHBondContact OD2-N 2.93Å; D595-D599 VanDerWaalsContact OD2-N 3.16Å; L597-D599 PolarHBondContact O-N 3.35Å; D599-I601 PolarHBondContact O-N 3.27Å; D599-T626 HydrophobicContact CB-CG2 4.29Å; D599-T626 WeakPolarHBondContact OD2-CB 3.25Å; D599-T626 PolarHBondContact OD2-OG1 2.97Å; D599-L627 PolarHBondContact OD1-N 2.78Å; D599-S628 PolarHBondContact OD1-N 2.95Å; D599-S628 WeakPolarHBondContact OD2-CB 3.4Å; D599-S628 PolarHBondContact OD2-OG 2.91Å; D599-R630 IonicContact OD2-CZ 3.3Å; D599-R630 IonicContact OD2-NE 2.77Å; D599-R630 PolarHBondContact OD2-NE 3.26Å; D599-R630 IonicContact OD2-NH2 3.82Å; D599-R630 PolarHBondContact OD2-NH2 2.79Å
600P96.1Very high89.9Confident27 Ų2746.4 Ų46.418%0.17524%0.238CC..  trans-55.2131.5-176-27.634.9000113.2L551 T602 T626 L627L551-P600 HydrophobicContact CD1-CB 3.63Å; P600-T602 PolarHBondContact O-N 2.83Å; P600-T626 VanDerWaalsContact O-CA 3.32Å; P600-T626 WeakPolarHBondContact O-CA 3.32Å; P600-L627 HydrophobicContact CB-CB 4.09Å; P600-L627 HydrophobicContact CB-CD2 4.35Å; P600-L627 HydrophobicContact CG-CB 4.22Å; P600-L627 HydrophobicContact CG-CD2 3.86Å; P600-L627 PolarHBondContact O-N 2.63Å
601I96.4Very high88.7Confident0 Ų050.5 Ų50.50%025%0.25CC..EExtended strand (participates in β ladder)trans-9093.6-173.8-61.8178.2000110.2S552 C565 I570 D599 Y624 G625S552-I601 PolarHBondContact OG-O 2.86Å; C565-I601 PolarHBondContact O-N 3.37Å; I570-I601 HydrophobicContact CD1-CD1 4.19Å; I570-I601 HydrophobicContact CG1-CD1 3.49Å; I570-I601 VanDerWaalsContact CG1-CD1 3.49Å; D599-I601 PolarHBondContact O-N 3.27Å; I601-Y624 HydrophobicContact CD1-CD2 4.09Å; I601-Y624 HydrophobicContact CD1-CE2 4.23Å; I601-Y624 HydrophobicContact CG1-CD2 4.03Å; I601-Y624 HydrophobicContact CG1-CE2 4.3Å; I601-Y624 HydrophobicContact CG2-CD2 4.11Å; I601-Y624 HydrophobicContact CG2-CG 4.32Å; I601-G625 CarbonylContact C-O 3.41Å
602T95.1Very high86.9Confident6 Ų648 Ų484%0.03724%0.241CC..EExtended strand (participates in β ladder)trans-88.7-12.5-171.555.30000114.3L551 P600 G625 T626 L627 M657 V658 I1016L551-T602 HydrophobicContact CD1-CG2 4.12Å; P600-T602 PolarHBondContact O-N 2.83Å; T602-G625 PolarHBondContact N-O 3.43Å; T602-G625 PolarHBondContact OG1-O 3.13Å; T602-T626 VanDerWaalsContact OG1-C 3.29Å; T602-T626 PolarHBondContact OG1-O 2.92Å; T602-L627 HydrophobicContact CG2-CB 4.14Å; T602-L627 HydrophobicContact CG2-CD1 4.45Å; T602-M657 HydrophobicContact CG2-CG 3.89Å; T602-M657 HydrophobicContact CG2-SD 4.33Å; T602-V658 WeakPolarHBondContact CB-O 3.48Å; T602-V658 PolarHBondContact OG1-O 2.8Å; T602-I1016 HydrophobicContact CG2-CD1 3.63Å
603A95.2Very high85Confident3 Ų352.9 Ų52.93%0.02528%0.278CS..EExtended strand (participates in β ladder)trans-143.7148.2172.500000111.6Y624 G625 V658 V661A603-Y624 CarbonylContact O-C 3.57Å; A603-Y624 VanDerWaalsContact O-CA 3.27Å; A603-Y624 WeakPolarHBondContact O-CA 3.33Å; A603-Y624 WeakPolarHBondContact O-CB 3.37Å; A603-G625 PolarHBondContact N-O 3.31Å; A603-G625 VanDerWaalsContact N-O 3.15Å; A603-G625 PolarHBondContact O-N 3.37Å; A603-V658 HydrophobicContact CB-CG1 4.25Å; A603-V661 HydrophobicContact CB-CB 4.35Å; A603-V661 HydrophobicContact CB-CG2 3.96Å
604L94.7Very high83Confident17 Ų1762.8 Ų62.89%0.08932%0.317CS..EExtended strand (participates in β ladder)trans-149.2137.7-176.9-168.763.6000111.1A554 L562 I570 I622A554-L604 HydrophobicContact CB-CB 4.33Å; A554-L604 HydrophobicContact CB-CD2 3.97Å; A554-L604 HydrophobicContact CB-CG 3.85Å; L562-L604 HydrophobicContact CB-CD2 3.74Å; I570-L604 HydrophobicContact CD1-CD1 3.98Å; I570-L604 HydrophobicContact CG2-CD2 4.39Å; L604-I622 HydrophobicContact CD1-CG2 3.55Å; L604-I622 HydrophobicContact CG-CG2 4.48Å
605S93.9Very high80.9Confident16 Ų1660 Ų6011%0.11231%0.311CS..EExtended strand (participates in β ladder)trans-145.3141.6176.6-178.50000109.8I622 A623 V661 L663S605-I622 CarbonylContact O-C 3.58Å; S605-I622 WeakPolarHBondContact O-CA 3.35Å; S605-I622 WeakPolarHBondContact O-CG2 3.35Å; S605-A623 PolarHBondContact N-O 3.11Å; S605-A623 PolarHBondContact O-N 2.99Å; S605-V661 WeakPolarHBondContact CB-O 3.31Å; S605-L663 PolarHBondContact OG-N 3.32Å; S605-L663 VanDerWaalsContact OG-N 3.1Å
606V91.3Very high78.9Confident28 Ų2865.4 Ų65.417%0.1735%0.348CS..EExtended strand (participates in β ladder)trans-123.5133.9178.1-174.70000109.2A554 A556 L562 L608 M620 E621 I622A554-V606 HydrophobicContact CB-CG2 3.78Å; A556-V606 HydrophobicContact CB-CG1 3.97Å; L562-V606 HydrophobicContact CD1-CG2 3.57Å; L562-V606 HydrophobicContact CG-CG2 4.43Å; V606-L608 HydrophobicContact CG1-CD2 4.15Å; V606-L608 HydrophobicContact CG1-CG 4.38Å; V606-M620 HydrophobicContact CG1-CG 3.83Å; V606-M620 HydrophobicContact CG1-SD 4.46Å; V606-E621 WeakPolarHBondContact CA-O 3.19Å; V606-I622 HydrophobicContact CG1-CG1 4.34Å; V606-I622 HydrophobicContact CG2-CG1 4.23Å; V606-I622 HydrophobicContact CG2-CG2 4.26Å
607H88Confident77.3Confident26 Ų2668.1 Ų68.112%0.1235%0.347CS..EExtended strand (participates in β ladder)trans-114.5134.2166.2-17374.9000108.8E621 L663 E665 R685H607-E621 HydrophobicContact CB-CB 4.4Å; H607-E621 IonicContact CD2-OE2 3.34Å; H607-E621 PolarHBondContact CD2-OE2 3.32Å; H607-E621 PolarHBondContact N-O 2.94Å; H607-E621 PolarHBondContact O-N 3.49Å; H607-L663 HydrophobicContact CB-CB 4.46Å; H607-L663 HydrophobicContact CB-CD2 3.82Å; H607-L663 HydrophobicContact CB-CG 3.92Å; H607-E665 VanDerWaalsContact CE1-CG 3.5Å; H607-E665 WeakPolarHBondContact CE1-CG 3.31Å; H607-R685 PolarHBondContact CD2-NH2 2.88Å
608L83Confident76.1Confident56 Ų5664.7 Ų64.729%0.29333%0.329SS..EExtended strand (participates in β ladder)trans-112.3102.8176.7-67.3-178.2000108.7V606 N618 W619 M620V606-L608 HydrophobicContact CG1-CD2 4.15Å; V606-L608 HydrophobicContact CG1-CG 4.38Å; L608-N618 HydrophobicContact CB-CB 4.36Å; L608-W619 WeakPolarHBondContact CA-O 3.49Å; L608-M620 HydrophobicContact CD2-CB 4.06Å; L608-M620 HydrophobicContact CD2-CE 4.29Å; L608-M620 HydrophobicContact CD2-CG 3.8Å
609S72.1Confident75.2Confident4 Ų458.4 Ų58.43%0.02831%0.305CS..  trans-56.1142.5-176.6-49.20000111.2N618 W619 G688S609-N618 VanDerWaalsContact O-CB 3.3Å; S609-N618 WeakPolarHBondContact O-CB 3.44Å; S609-N618 PolarHBondContact O-ND2 3.44Å; S609-W619 PolarHBondContact N-O 2.84Å; S609-G688 WeakPolarHBondContact CB-O 3.36Å; S609-G688 PolarHBondContact OG-O 3.45Å
610P64.8Low74.7Confident79 Ų7959 Ų5951%0.51331%0.308SS..  trans-53.3150.8178.8-28.235.3000113.3T612P610-T612 PolarHBondContact O-N 3.15Å
611K58.8Low74.4Confident152 Ų15257.7 Ų57.766%0.66130%0.299SS*.  trans-65.3101175.6-72.6-174.8176.9-179.70110.3N618K611-N618 WeakPolarHBondContact CE-OD1 3.49Å; K611-N618 VanDerWaalsContact CG-OD1 3.24Å; K611-N618 WeakPolarHBondContact CG-OD1 3.25Å
612T50.7Low74.3Confident50 Ų5057.8 Ų57.831%0.30730%0.3SS..  trans-72.8151.4169.883.90000110.1P610 Y614 S615P610-T612 PolarHBondContact O-N 3.15Å; T612-Y614 PolarHBondContact O-N 3.48Å; T612-Y614 PolarHBondContact OG1-N 3.21Å; T612-S615 PolarHBondContact O-N 2.82Å; T612-S615 PolarHBondContact O-OG 2.79Å; T612-S615 PolarHBondContact OG1-OG 3.23Å
613S47.9Very low74.3Confident127 Ų12757.5 Ų57.589%0.88830%0.298SS*.THydrogen-bonded Turntrans-59.4-12.9179.6-44.20000114.7
614Y50.1Low74.4Confident229 Ų22957.3 Ų57.390%0.89830%0.297SS*.THydrogen-bonded Turntrans-97.7-10-179.8-58.2-79.1000113.5T612T612-Y614 PolarHBondContact O-N 3.48Å; T612-Y614 PolarHBondContact OG1-N 3.21Å
615S50.5Low74.5Confident25 Ų2556.5 Ų56.518%0.17529%0.293CS..  trans-132.6111.4-17059.30000111.8T612 R617T612-S615 PolarHBondContact O-N 2.82Å; T612-S615 PolarHBondContact O-OG 2.79Å; T612-S615 PolarHBondContact OG1-OG 3.23Å; S615-R617 PolarHBondContact O-N 2.97Å; S615-R617 VanDerWaalsContact O-N 3.14Å
616S53.3Low74.6Confident113 Ų11355.8 Ų55.879%0.7929%0.287SS*.SBendtrans-67-13.4-178.961.70000114.7
617R58.9Low74.8Confident147 Ų14757.1 Ų57.156%0.55529%0.293SS*.SBendtrans-133.4145.1-179.7-74.1178178.9174.3-0.2110S615 P638S615-R617 PolarHBondContact O-N 2.97Å; S615-R617 VanDerWaalsContact O-N 3.14Å; R617-P638 HydrophobicContact CB-CB 3.68Å; R617-P638 WeakPolarHBondContact O-CG 3.47Å
618N68.4Low75.1Confident56 Ų5658.7 Ų58.730%0.29931%0.307SS..  trans-66.3146.6176.7-57.645.4000110.8L608 S609 K611L608-N618 HydrophobicContact CB-CB 4.36Å; S609-N618 VanDerWaalsContact O-CB 3.3Å; S609-N618 WeakPolarHBondContact O-CB 3.44Å; S609-N618 PolarHBondContact O-ND2 3.44Å; K611-N618 WeakPolarHBondContact CE-OD1 3.49Å; K611-N618 VanDerWaalsContact CG-OD1 3.24Å; K611-N618 WeakPolarHBondContact CG-OD1 3.25Å
619W74.9Confident75.6Confident48 Ų4856 Ų5618%0.18229%0.294CS..  trans-68.3149.6163.5-74.757.7000109.6L608 S609 V635 H637 P638 I689L608-W619 WeakPolarHBondContact CA-O 3.49Å; S609-W619 PolarHBondContact N-O 2.84Å; W619-V635 HydrophobicContact CE3-CG1 3.57Å; W619-V635 HydrophobicContact CZ3-CG1 3.82Å; W619-H637 AromaticContact CE2-CD2 3.4Å; W619-H637 AromaticContact CE2-NE2 3.67Å; W619-H637 AromaticContact CH2-CD2 3.4Å; W619-H637 WeakPolarHBondContact CH2-CD2 3.44Å; W619-H637 AromaticContact CH2-NE2 3.94Å; W619-H637 AromaticContact CZ2-CD2 3.09Å; W619-H637 WeakPolarHBondContact CZ2-CD2 3.36Å; W619-H637 AromaticContact CZ2-NE2 3.26Å; W619-H637 VanDerWaalsContact CZ2-NE2 3.26Å; W619-H637 WeakPolarHBondContact CZ2-NE2 3.39Å; W619-H637 AromaticContact CZ3-CD2 3.95Å; W619-H637 AromaticContact NE1-CD2 3.98Å; W619-H637 AromaticContact NE1-NE2 3.95Å; W619-P638 HydrophobicContact CG-CG 4.08Å; W619-I689 HydrophobicContact CD2-CG1 3.99Å; W619-I689 HydrophobicContact CD2-CG2 4.46Å; W619-I689 HydrophobicContact CE3-CG1 4.22Å; W619-I689 HydrophobicContact CE3-CG2 3.83Å; W619-I689 HydrophobicContact CH2-CB 4.25Å; W619-I689 HydrophobicContact CH2-CD1 3.6Å; W619-I689 HydrophobicContact CH2-CG1 3.73Å; W619-I689 HydrophobicContact CH2-CG2 3.49Å; W619-I689 VanDerWaalsContact CH2-CG2 3.49Å; W619-I689 HydrophobicContact CZ2-CB 4.43Å; W619-I689 HydrophobicContact CZ2-CD1 3.23Å; W619-I689 HydrophobicContact CZ2-CG1 3.44Å; W619-I689 VanDerWaalsContact CZ2-CG1 3.44Å; W619-I689 HydrophobicContact CZ2-CG2 4.14Å; W619-I689 HydrophobicContact CZ3-CB 4.32Å; W619-I689 HydrophobicContact CZ3-CD1 4.46Å; W619-I689 HydrophobicContact CZ3-CG1 4.12Å; W619-I689 HydrophobicContact CZ3-CG2 3.32Å
620M85Confident76.7Confident30 Ų3057.1 Ų57.115%0.14830%0.297CS..EExtended strand (participates in β ladder)trans-114.1110.8173.7-166178.4-52.500109.6A556 L560 M592 V606 L608 I622 V635 Q636A556-M620 HydrophobicContact CB-CE 4.36Å; A556-M620 HydrophobicContact CB-SD 4.38Å; L560-M620 HydrophobicContact CD2-CE 3.78Å; L560-M620 HydrophobicContact CD2-SD 4.31Å; M592-M620 HydrophobicContact CE-SD 3.81Å; V606-M620 HydrophobicContact CG1-CG 3.83Å; V606-M620 HydrophobicContact CG1-SD 4.46Å; L608-M620 HydrophobicContact CD2-CB 4.06Å; L608-M620 HydrophobicContact CD2-CE 4.29Å; L608-M620 HydrophobicContact CD2-CG 3.8Å; M620-I622 HydrophobicContact CG-CD1 4.17Å; M620-I622 HydrophobicContact CG-CG1 3.97Å; M620-I622 HydrophobicContact SD-CD1 4Å; M620-I622 HydrophobicContact SD-CG1 4.39Å; M620-V635 WeakPolarHBondContact O-CA 3.27Å; M620-Q636 PolarHBondContact N-O 3.36Å; M620-Q636 PolarHBondContact O-N 2.84Å
621E89.9Confident78.3Confident0 Ų053.4 Ų53.40%027%0.273CS..EExtended strand (participates in β ladder)trans-108.5123178.9-56.5177.6157.200107.4V606 H607 V635 L663 R685 I690V606-E621 WeakPolarHBondContact CA-O 3.19Å; H607-E621 HydrophobicContact CB-CB 4.4Å; H607-E621 IonicContact CD2-OE2 3.34Å; H607-E621 PolarHBondContact CD2-OE2 3.32Å; H607-E621 PolarHBondContact N-O 2.94Å; H607-E621 PolarHBondContact O-N 3.49Å; E621-V635 HydrophobicContact CG-CG1 4.32Å; E621-V635 HydrophobicContact CG-CG2 4.38Å; E621-L663 HydrophobicContact CB-CD2 3.81Å; E621-R685 IonicContact OE1-NE 2.81Å; E621-R685 IonicContact OE2-CZ 3.26Å; E621-R685 IonicContact OE2-NE 2.7Å; E621-R685 PolarHBondContact OE2-NE 3.41Å; E621-R685 IonicContact OE2-NH2 2.74Å; E621-R685 PolarHBondContact OE2-NH2 3.48Å; E621-I690 HydrophobicContact CB-CD1 4.34Å; E621-I690 HydrophobicContact CG-CD1 4.37Å; E621-I690 WeakPolarHBondContact OE1-CG1 3.41Å; E621-I690 PolarHBondContact OE1-N 2.77Å; E621-I690 WeakPolarHBondContact OE2-CD1 3.36Å
622I93.5Very high80Confident1 Ų146.1 Ų46.11%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-126.5121.2-172.6-48.9170.9000108.5L562 M592 L604 S605 V606 M620 I634L562-I622 HydrophobicContact CD1-CD1 3.69Å; L562-I622 HydrophobicContact CD1-CG1 4.36Å; M592-I622 HydrophobicContact CE-CD1 3.68Å; M592-I622 HydrophobicContact SD-CD1 4.34Å; L604-I622 HydrophobicContact CD1-CG2 3.55Å; L604-I622 HydrophobicContact CG-CG2 4.48Å; S605-I622 CarbonylContact O-C 3.58Å; S605-I622 WeakPolarHBondContact O-CA 3.35Å; S605-I622 WeakPolarHBondContact O-CG2 3.35Å; V606-I622 HydrophobicContact CG1-CG1 4.34Å; V606-I622 HydrophobicContact CG2-CG1 4.23Å; V606-I622 HydrophobicContact CG2-CG2 4.26Å; M620-I622 HydrophobicContact CG-CD1 4.17Å; M620-I622 HydrophobicContact CG-CG1 3.97Å; M620-I622 HydrophobicContact SD-CD1 4Å; M620-I622 HydrophobicContact SD-CG1 4.39Å; I622-I634 HydrophobicContact CB-CD1 4.16Å; I622-I634 HydrophobicContact CB-CG1 3.69Å; I622-I634 HydrophobicContact CD1-CD1 4.15Å; I622-I634 HydrophobicContact CD1-CG1 4.34Å; I622-I634 HydrophobicContact CG1-CG1 4.4Å; I622-I634 HydrophobicContact CG2-CD1 4.44Å; I622-I634 HydrophobicContact CG2-CG1 4.36Å; I622-I634 PolarHBondContact N-O 3.11Å; I622-I634 PolarHBondContact O-N 2.95Å
623A95.5Very high82.1Confident0 Ų043.8 Ų43.80%023%0.227CC..EExtended strand (participates in β ladder)trans-104.5131.6171.700000109.6S605 C632 L633 V661 L663 L668S605-A623 PolarHBondContact N-O 3.11Å; S605-A623 PolarHBondContact O-N 2.99Å; A623-C632 CarbonylContact C-O 3.6Å; A623-C632 VanDerWaalsContact CA-O 3.31Å; A623-C632 WeakPolarHBondContact CA-O 3.37Å; A623-L633 HydrophobicContact CB-CD1 4.31Å; A623-V661 HydrophobicContact CB-CG1 3.51Å; A623-L663 HydrophobicContact CB-CB 3.97Å; A623-L663 HydrophobicContact CB-CD2 4.28Å; A623-L668 HydrophobicContact CB-CD1 3.66Å
624Y97.2Very high84.2Confident0 Ų037.8 Ų37.80%019%0.185CC..EExtended strand (participates in β ladder)trans-130.4151.3-179.873.9-97.6000111.8I570 Y593 D595 I601 A603 T626 V631 C632 I634I570-Y624 HydrophobicContact CD1-CD1 4.01Å; I570-Y624 HydrophobicContact CD1-CG 4.4Å; Y593-Y624 HydrophobicContact CD1-CE1 4.18Å; Y593-Y624 AromaticContact CE1-CE1 3.68Å; Y593-Y624 HydrophobicContact CE1-CE1 3.68Å; Y593-Y624 AromaticContact CE1-CZ 3.79Å; Y593-Y624 WeakPolarHBondContact CE1-OH 3.42Å; D595-Y624 HydrophobicContact CB-CE2 4.29Å; D595-Y624 PolarHBondContact OD1-OH 3.34Å; I601-Y624 HydrophobicContact CD1-CD2 4.09Å; I601-Y624 HydrophobicContact CD1-CE2 4.23Å; I601-Y624 HydrophobicContact CG1-CD2 4.03Å; I601-Y624 HydrophobicContact CG1-CE2 4.3Å; I601-Y624 HydrophobicContact CG2-CD2 4.11Å; I601-Y624 HydrophobicContact CG2-CG 4.32Å; A603-Y624 CarbonylContact O-C 3.57Å; A603-Y624 VanDerWaalsContact O-CA 3.27Å; A603-Y624 WeakPolarHBondContact O-CA 3.33Å; A603-Y624 WeakPolarHBondContact O-CB 3.37Å; Y624-T626 HydrophobicContact CD2-CG2 3.97Å; Y624-T626 HydrophobicContact CE2-CG2 3.77Å; Y624-V631 CarbonylContact O-C 3.58Å; Y624-V631 WeakPolarHBondContact O-CA 3.31Å; Y624-C632 HydrophobicContact CD1-CB 3.82Å; Y624-C632 HydrophobicContact CD2-CB 4.03Å; Y624-C632 HydrophobicContact CE1-CB 3.36Å; Y624-C632 HydrophobicContact CE2-CB 3.58Å; Y624-C632 HydrophobicContact CG-CB 4.13Å; Y624-C632 PolarHBondContact N-O 3.48Å; Y624-C632 PolarHBondContact O-N 3.02Å; Y624-I634 HydrophobicContact CD1-CD1 4.48Å; Y624-I634 HydrophobicContact CD1-CG2 4.49Å; Y624-I634 HydrophobicContact CE1-CD1 4.5Å; Y624-I634 HydrophobicContact CE1-CG2 3.83Å
625G96.6Very high86.1Confident0 Ų027.6 Ų27.60%015%0.146CC..EExtended strand (participates in β ladder)trans-119.9147.9177.700000110.8I601 T602 A603 R630I601-G625 CarbonylContact C-O 3.41Å; T602-G625 PolarHBondContact N-O 3.43Å; T602-G625 PolarHBondContact OG1-O 3.13Å; A603-G625 PolarHBondContact N-O 3.31Å; A603-G625 VanDerWaalsContact N-O 3.15Å; A603-G625 PolarHBondContact O-N 3.37Å; G625-R630 WeakPolarHBondContact CA-O 3.33Å
626T96.8Very high87.7Confident0 Ų027.5 Ų27.50%014%0.143CC..EExtended strand (participates in β ladder)trans-117.4166.4-173.878.10000114.3D599 P600 T602 Y624 S628 G629 R630 V658D599-T626 HydrophobicContact CB-CG2 4.29Å; D599-T626 WeakPolarHBondContact OD2-CB 3.25Å; D599-T626 PolarHBondContact OD2-OG1 2.97Å; P600-T626 VanDerWaalsContact O-CA 3.32Å; P600-T626 WeakPolarHBondContact O-CA 3.32Å; T602-T626 VanDerWaalsContact OG1-C 3.29Å; T602-T626 PolarHBondContact OG1-O 2.92Å; Y624-T626 HydrophobicContact CD2-CG2 3.97Å; Y624-T626 HydrophobicContact CE2-CG2 3.77Å; T626-S628 VanDerWaalsContact C-N 3.27Å; T626-S628 PolarHBondContact O-N 2.95Å; T626-S628 PolarHBondContact OG1-OG 3.05Å; T626-G629 PolarHBondContact O-N 2.89Å; T626-G629 VanDerWaalsContact O-N 3.15Å; T626-R630 HydrophobicContact CG2-CB 4.4Å; T626-R630 PolarHBondContact N-O 3.42Å; T626-R630 PolarHBondContact OG1-N 3.22Å; T626-V658 PolarHBondContact O-N 3.15Å
627L95.2Very high88.7Confident56 Ų5624.8 Ų24.829%0.29312%0.118SC..THydrogen-bonded Turntrans-60.2-33.7177-177.963.5000112.7D599 P600 T602 G629 M657 P1014D599-L627 PolarHBondContact OD1-N 2.78Å; P600-L627 HydrophobicContact CB-CB 4.09Å; P600-L627 HydrophobicContact CB-CD2 4.35Å; P600-L627 HydrophobicContact CG-CB 4.22Å; P600-L627 HydrophobicContact CG-CD2 3.86Å; P600-L627 PolarHBondContact O-N 2.63Å; T602-L627 HydrophobicContact CG2-CB 4.14Å; T602-L627 HydrophobicContact CG2-CD1 4.45Å; L627-G629 VanDerWaalsContact C-N 3.31Å; L627-G629 PolarHBondContact O-N 2.86Å; L627-M657 HydrophobicContact CD1-CB 4.13Å; L627-M657 HydrophobicContact CD1-CE 3.52Å; L627-M657 HydrophobicContact CD1-CG 4.01Å; L627-M657 VanDerWaalsContact O-CA 3.26Å; L627-M657 WeakPolarHBondContact O-CA 3.31Å; L627-M657 PolarHBondContact O-N 2.65Å; L627-P1014 HydrophobicContact CD1-CB 4.03Å; L627-P1014 HydrophobicContact CD1-CG 4.3Å; L627-P1014 HydrophobicContact CD2-CG 4.28Å
628S93.5Very high89.1Confident59 Ų5918.5 Ų18.541%0.41310%0.096SC..THydrogen-bonded Turntrans-78.7-4.1177.170.80000115.5D599 T626D599-S628 PolarHBondContact OD1-N 2.95Å; D599-S628 WeakPolarHBondContact OD2-CB 3.4Å; D599-S628 PolarHBondContact OD2-OG 2.91Å; T626-S628 VanDerWaalsContact C-N 3.27Å; T626-S628 PolarHBondContact O-N 2.95Å; T626-S628 PolarHBondContact OG1-OG 3.05Å
629G94Very high88.9Confident1 Ų123.8 Ų23.81%0.0112%0.119CC..SBendtrans95.75.4-179.700000115.5T626 L627 H654 S656T626-G629 PolarHBondContact O-N 2.89Å; T626-G629 VanDerWaalsContact O-N 3.15Å; L627-G629 VanDerWaalsContact C-N 3.31Å; L627-G629 PolarHBondContact O-N 2.86Å; G629-H654 WeakPolarHBondContact O-CB 3.11Å; G629-H654 PolarHBondContact O-N 3.42Å; G629-S656 VanDerWaalsContact CA-O 3.23Å; G629-S656 WeakPolarHBondContact CA-O 3.11Å
630R96Very high88.5Confident27 Ų2723.4 Ų23.410%0.10212%0.122CC..EExtended strand (participates in β ladder)trans-76.1144.6173.8-61.9-174.9-69.3125.6-1.3111.3D595 D599 G625 T626 N652 V658D595-R630 IonicContact OD1-CZ 3.99Å; D595-R630 IonicContact OD1-NH1 3.12Å; D595-R630 PolarHBondContact OD1-NH1 2.73Å; D595-R630 IonicContact OD1-NH2 2.64Å; D595-R630 PolarHBondContact OD1-NH2 3.15Å; D595-R630 IonicContact OD2-CZ 3.23Å; D595-R630 IonicContact OD2-NH1 2.95Å; D595-R630 IonicContact OD2-NH2 3.74Å; D595-R630 PolarHBondContact OD2-NH2 3.11Å; D599-R630 IonicContact OD2-CZ 3.3Å; D599-R630 IonicContact OD2-NE 2.77Å; D599-R630 PolarHBondContact OD2-NE 3.26Å; D599-R630 IonicContact OD2-NH2 3.82Å; D599-R630 PolarHBondContact OD2-NH2 2.79Å; G625-R630 WeakPolarHBondContact CA-O 3.33Å; T626-R630 HydrophobicContact CG2-CB 4.4Å; T626-R630 PolarHBondContact N-O 3.42Å; T626-R630 PolarHBondContact OG1-N 3.22Å; R630-N652 WeakPolarHBondContact CG-OD1 3.36Å; R630-V658 WeakPolarHBondContact O-CG2 3.36Å
631V96.7Very high87.4Confident0 Ų026 Ų260%014%0.139CC..EExtended strand (participates in β ladder)trans-117.4124.6169.5-176.60000107.7Y624 T650 F651 V658 V661 L668 W681Y624-V631 CarbonylContact O-C 3.58Å; Y624-V631 WeakPolarHBondContact O-CA 3.31Å; V631-T650 CarbonylContact O-C 3.58Å; V631-F651 HydrophobicContact CB-CB 4.33Å; V631-F651 HydrophobicContact CB-CD2 4.47Å; V631-F651 HydrophobicContact CG1-CD2 4.48Å; V631-F651 PolarHBondContact N-O 2.9Å; V631-F651 WeakPolarHBondContact O-CD2 3.41Å; V631-F651 PolarHBondContact O-N 2.98Å; V631-V658 HydrophobicContact CG2-CG1 4.31Å; V631-V658 HydrophobicContact CG2-CG2 4.06Å; V631-V661 HydrophobicContact CG1-CG1 4.21Å; V631-V661 HydrophobicContact CG1-CG2 4.09Å; V631-L668 HydrophobicContact CG1-CD1 4.47Å; V631-L668 HydrophobicContact CG1-CD2 4.18Å; V631-W681 HydrophobicContact CB-CH2 4.46Å; V631-W681 HydrophobicContact CG2-CH2 4.37Å
632C95.5Very high86.2Confident0 Ų029.7 Ų29.70%018%0.178CC..EExtended strand (participates in β ladder)trans-121.8147.5-175.2-64.30000110.4A623 Y624 L647A623-C632 CarbonylContact C-O 3.6Å; A623-C632 VanDerWaalsContact CA-O 3.31Å; A623-C632 WeakPolarHBondContact CA-O 3.37Å; Y624-C632 HydrophobicContact CD1-CB 3.82Å; Y624-C632 HydrophobicContact CD2-CB 4.03Å; Y624-C632 HydrophobicContact CE1-CB 3.36Å; Y624-C632 HydrophobicContact CE2-CB 3.58Å; Y624-C632 HydrophobicContact CG-CB 4.13Å; Y624-C632 PolarHBondContact N-O 3.48Å; Y624-C632 PolarHBondContact O-N 3.02Å; C632-L647 HydrophobicContact CB-CD1 4.09Å
633L94.2Very high85.3Confident1 Ų138.1 Ų38.11%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-120.9121.6175.2176.466.2000108.9A623 F648 Q649 L663 I690A623-L633 HydrophobicContact CB-CD1 4.31Å; L633-F648 HydrophobicContact CD2-CB 4.45Å; L633-F648 HydrophobicContact CD2-CD1 3.76Å; L633-F648 HydrophobicContact CD2-CE1 4.42Å; L633-F648 HydrophobicContact CD2-CG 4.36Å; L633-F648 HydrophobicContact CG-CB 4.3Å; L633-F648 HydrophobicContact CG-CD1 4.5Å; L633-F648 WeakPolarHBondContact O-CB 3.49Å; L633-F648 PolarHBondContact O-N 2.91Å; L633-Q649 PolarHBondContact N-O 3.11Å; L633-Q649 PolarHBondContact O-N 2.84Å; L633-L663 HydrophobicContact CD1-CD2 3.81Å; L633-I690 HydrophobicContact CD1-CD1 3.92Å; L633-I690 HydrophobicContact CD2-CD1 3.62Å; L633-I690 HydrophobicContact CD2-CG2 4.07Å; L633-I690 HydrophobicContact CG-CD1 4.34Å
634I92.7Very high84.5Confident0 Ų042.2 Ų42.20%024%0.239CC..EExtended strand (participates in β ladder)trans-116.9149.917364.1-179.9000110.1I570 Y593 I622 Y624 P645 Q646 L647I570-I634 HydrophobicContact CD1-CD1 3.69Å; Y593-I634 HydrophobicContact CD1-CD1 3.87Å; Y593-I634 HydrophobicContact CD1-CG2 4.37Å; Y593-I634 HydrophobicContact CD2-CD1 4.14Å; Y593-I634 HydrophobicContact CD2-CG2 4.21Å; Y593-I634 HydrophobicContact CE1-CD1 4.49Å; Y593-I634 HydrophobicContact CE1-CG2 3.99Å; Y593-I634 HydrophobicContact CE2-CG2 3.79Å; Y593-I634 HydrophobicContact CG-CD1 3.69Å; Y593-I634 HydrophobicContact CG-CG2 4.49Å; I622-I634 HydrophobicContact CB-CD1 4.16Å; I622-I634 HydrophobicContact CB-CG1 3.69Å; I622-I634 HydrophobicContact CD1-CD1 4.15Å; I622-I634 HydrophobicContact CD1-CG1 4.34Å; I622-I634 HydrophobicContact CG1-CG1 4.4Å; I622-I634 HydrophobicContact CG2-CD1 4.44Å; I622-I634 HydrophobicContact CG2-CG1 4.36Å; I622-I634 PolarHBondContact N-O 3.11Å; I622-I634 PolarHBondContact O-N 2.95Å; Y624-I634 HydrophobicContact CD1-CD1 4.48Å; Y624-I634 HydrophobicContact CD1-CG2 4.49Å; Y624-I634 HydrophobicContact CE1-CD1 4.5Å; Y624-I634 HydrophobicContact CE1-CG2 3.83Å; I634-P645 HydrophobicContact CB-CB 4.14Å; I634-P645 HydrophobicContact CD1-CB 4.01Å; I634-P645 HydrophobicContact CD1-CG 4.35Å; I634-P645 HydrophobicContact CG1-CB 4.22Å; I634-Q646 CarbonylContact C-O 3.52Å; I634-Q646 WeakPolarHBondContact CA-O 3.35Å; I634-Q646 WeakPolarHBondContact CB-O 3.3Å; I634-L647 HydrophobicContact CG2-CB 4.35Å; I634-L647 HydrophobicContact CG2-CD1 3.83Å
635V88.9Confident84Confident16 Ų1642.4 Ų42.410%0.09724%0.24CC..EExtended strand (participates in β ladder)trans-133.3141.2-178.6-176.90000110.1W619 M620 E621 P645 Q646 F648W619-V635 HydrophobicContact CE3-CG1 3.57Å; W619-V635 HydrophobicContact CZ3-CG1 3.82Å; M620-V635 WeakPolarHBondContact O-CA 3.27Å; E621-V635 HydrophobicContact CG-CG1 4.32Å; E621-V635 HydrophobicContact CG-CG2 4.38Å; V635-P645 WeakPolarHBondContact O-CA 3.45Å; V635-Q646 PolarHBondContact N-O 2.83Å; V635-Q646 PolarHBondContact O-N 2.84Å; V635-F648 HydrophobicContact CG2-CB 4.15Å; V635-F648 HydrophobicContact CG2-CD2 4.25Å; V635-F648 HydrophobicContact CG2-CG 4.33Å
636Q84.4Confident83.5Confident23 Ų2349.4 Ų49.411%0.10727%0.273CS..EExtended strand (participates in β ladder)trans-121.7126.2172.5-164.8178.343.500110.6M620 Y643 P645M620-Q636 PolarHBondContact N-O 3.36Å; M620-Q636 PolarHBondContact O-N 2.84Å; Q636-Y643 PolarHBondContact NE2-O 3.36Å; Q636-P645 HydrophobicContact CB-CB 4.24Å; Q636-P645 HydrophobicContact CB-CG 4.24Å
637H74.4Confident83.2Confident56 Ų5653 Ų5326%0.25929%0.292SS..  trans-72.9144.7176.6-161.7-123.9000110.6W619 E639 T640W619-H637 AromaticContact CE2-CD2 3.4Å; W619-H637 AromaticContact CE2-NE2 3.67Å; W619-H637 AromaticContact CH2-CD2 3.4Å; W619-H637 WeakPolarHBondContact CH2-CD2 3.44Å; W619-H637 AromaticContact CH2-NE2 3.94Å; W619-H637 AromaticContact CZ2-CD2 3.09Å; W619-H637 WeakPolarHBondContact CZ2-CD2 3.36Å; W619-H637 AromaticContact CZ2-NE2 3.26Å; W619-H637 VanDerWaalsContact CZ2-NE2 3.26Å; W619-H637 WeakPolarHBondContact CZ2-NE2 3.39Å; W619-H637 AromaticContact CZ3-CD2 3.95Å; W619-H637 AromaticContact NE1-CD2 3.98Å; W619-H637 AromaticContact NE1-NE2 3.95Å; H637-E639 IonicContact CE1-OE2 2.75Å; H637-E639 PolarHBondContact CE1-OE2 3.29Å; H637-E639 WeakPolarHBondContact ND1-CB 3.34Å; H637-E639 IonicContact ND1-OE2 3.01Å; H637-E639 PolarHBondContact ND1-OE2 2.92Å; H637-E639 PolarHBondContact O-N 3Å; H637-T640 HydrophobicContact CB-CG2 3.83Å; H637-T640 VanDerWaalsContact CB-OG1 3.3Å; H637-T640 WeakPolarHBondContact CB-OG1 3.26Å; H637-T640 PolarHBondContact N-OG1 3.41Å; H637-T640 PolarHBondContact O-N 2.94Å; H637-T640 PolarHBondContact O-OG1 2.96Å
638P68.5Low82.8Confident15 Ų1553.4 Ų53.410%0.09729%0.291CS..THydrogen-bonded Turntrans-65.2-22.9-179.9-16.429.2000113.8R617 W619 V641R617-P638 HydrophobicContact CB-CB 3.68Å; R617-P638 WeakPolarHBondContact O-CG 3.47Å; W619-P638 HydrophobicContact CG-CG 4.08Å; P638-V641 VanDerWaalsContact O-CG2 3.31Å; P638-V641 WeakPolarHBondContact O-CG2 3.42Å
639E63.6Low82.6Confident167 Ų16752.5 Ų52.578%0.7828%0.28SS*.THydrogen-bonded Turntrans-87-22.6174.6-54.7174.1159.400112.5H637 V641H637-E639 IonicContact CE1-OE2 2.75Å; H637-E639 PolarHBondContact CE1-OE2 3.29Å; H637-E639 WeakPolarHBondContact ND1-CB 3.34Å; H637-E639 IonicContact ND1-OE2 3.01Å; H637-E639 PolarHBondContact ND1-OE2 2.92Å; H637-E639 PolarHBondContact O-N 3Å; E639-V641 VanDerWaalsContact C-N 3.27Å; E639-V641 PolarHBondContact O-N 2.75Å
640T65.7Low82.6Confident40 Ų4055.1 Ų55.125%0.24530%0.296CS..  trans-9220.7176.570.10000112.4H637 G642 Y643H637-T640 HydrophobicContact CB-CG2 3.83Å; H637-T640 VanDerWaalsContact CB-OG1 3.3Å; H637-T640 WeakPolarHBondContact CB-OG1 3.26Å; H637-T640 PolarHBondContact N-OG1 3.41Å; H637-T640 PolarHBondContact O-N 2.94Å; H637-T640 PolarHBondContact O-OG1 2.96Å; T640-G642 PolarHBondContact O-N 3.03Å; T640-Y643 HydrophobicContact CG2-CD2 4.44Å; T640-Y643 PolarHBondContact O-N 3.07Å
641V63.5Low82.5Confident84 Ų8454.6 Ų54.651%0.50930%0.295SS..THydrogen-bonded Turntrans-67.396.5175.41740000109.1P638 E639P638-V641 VanDerWaalsContact O-CG2 3.31Å; P638-V641 WeakPolarHBondContact O-CG2 3.42Å; E639-V641 VanDerWaalsContact C-N 3.27Å; E639-V641 PolarHBondContact O-N 2.75Å
642G64.9Low82.2Confident78 Ų7860.7 Ų60.780%0.80433%0.327SS*.THydrogen-bonded Turntrans139.8-22.6-169.700000112.9T640T640-G642 PolarHBondContact O-N 3.03Å
643Y73.9Confident81.7Confident178 Ų17863 Ų6370%0.69834%0.342SS*.SBendtrans-93.2155165.4-60.5-93.2000110.1Q636 T640Q636-Y643 PolarHBondContact NE2-O 3.36Å; T640-Y643 HydrophobicContact CG2-CD2 4.44Å; T640-Y643 PolarHBondContact O-N 3.07Å
644S78.3Confident81.7Confident85 Ų8563.5 Ų63.559%0.59434%0.344SS*.PPolyproline II helixtrans-61.4142.8171.954.30000111.2
645P87.2Confident81.5Confident5 Ų573.9 Ų73.93%0.03238%0.383CS..PPolyproline II helixtrans-55.5148.1171-22.333.6000111.9M592 Y593 I634 V635 Q636M592-P645 HydrophobicContact CE-CG 3.54Å; M592-P645 HydrophobicContact CG-CG 3.88Å; M592-P645 WeakPolarHBondContact O-CD 3.31Å; Y593-P645 HydrophobicContact CD2-CB 4.42Å; I634-P645 HydrophobicContact CB-CB 4.14Å; I634-P645 HydrophobicContact CD1-CB 4.01Å; I634-P645 HydrophobicContact CD1-CG 4.35Å; I634-P645 HydrophobicContact CG1-CB 4.22Å; V635-P645 WeakPolarHBondContact O-CA 3.45Å; Q636-P645 HydrophobicContact CB-CB 4.24Å; Q636-P645 HydrophobicContact CB-CG 4.24Å
646Q86.4Confident81.6Confident147 Ų14774.9 Ų74.969%0.68739%0.391SS*.EExtended strand (participates in β ladder)trans-93.1138.8179.9-63.8-179.2-300110.2I634 V635 F648I634-Q646 CarbonylContact C-O 3.52Å; I634-Q646 WeakPolarHBondContact CA-O 3.35Å; I634-Q646 WeakPolarHBondContact CB-O 3.3Å; V635-Q646 PolarHBondContact N-O 2.83Å; V635-Q646 PolarHBondContact O-N 2.84Å; Q646-F648 PolarHBondContact O-N 2.98Å
647L89.1Confident82.1Confident75 Ų7574.9 Ų74.939%0.39339%0.391SS..EExtended strand (participates in β ladder)trans-74.3121.6171.1-176.265.8000109.5C632 I634C632-L647 HydrophobicContact CB-CD1 4.09Å; I634-L647 HydrophobicContact CG2-CB 4.35Å; I634-L647 HydrophobicContact CG2-CD1 3.83Å
648F87.2Confident83Confident64 Ų6472.2 Ų72.228%0.28138%0.379SS..EExtended strand (participates in β ladder)trans-102.1-46.4-172.4-173.4-82.9000112L633 V635 Q646 I690 T692L633-F648 HydrophobicContact CD2-CB 4.45Å; L633-F648 HydrophobicContact CD2-CD1 3.76Å; L633-F648 HydrophobicContact CD2-CE1 4.42Å; L633-F648 HydrophobicContact CD2-CG 4.36Å; L633-F648 HydrophobicContact CG-CB 4.3Å; L633-F648 HydrophobicContact CG-CD1 4.5Å; L633-F648 WeakPolarHBondContact O-CB 3.49Å; L633-F648 PolarHBondContact O-N 2.91Å; V635-F648 HydrophobicContact CG2-CB 4.15Å; V635-F648 HydrophobicContact CG2-CD2 4.25Å; V635-F648 HydrophobicContact CG2-CG 4.33Å; Q646-F648 PolarHBondContact O-N 2.98Å; F648-I690 HydrophobicContact CD1-CG2 4.3Å; F648-I690 HydrophobicContact CE1-CB 4.39Å; F648-I690 HydrophobicContact CE1-CG2 3.59Å; F648-I690 WeakPolarHBondContact CE2-O 3.22Å; F648-I690 HydrophobicContact CZ-CB 4.3Å; F648-I690 HydrophobicContact CZ-CG2 3.86Å; F648-I690 WeakPolarHBondContact CZ-O 3.45Å; F648-T692 HydrophobicContact CE1-CG2 3.84Å; F648-T692 HydrophobicContact CE2-CG2 3.97Å; F648-T692 HydrophobicContact CZ-CG2 3.44Å; F648-T692 VanDerWaalsContact CZ-CG2 3.44Å
649Q90.2Very high84.1Confident40 Ų4073.1 Ų73.119%0.18738%0.384CS..EExtended strand (participates in β ladder)trans-152.6146.2178.2-168.2163.423.700110.9L633 F651 S695 S696L633-Q649 PolarHBondContact N-O 3.11Å; L633-Q649 PolarHBondContact O-N 2.84Å; Q649-F651 HydrophobicContact CB-CE2 4.2Å; Q649-F651 HydrophobicContact CB-CZ 4.3Å; Q649-F651 HydrophobicContact CG-CD2 4.42Å; Q649-F651 HydrophobicContact CG-CE1 3.99Å; Q649-F651 HydrophobicContact CG-CE2 3.83Å; Q649-F651 HydrophobicContact CG-CZ 3.61Å; Q649-S695 PolarHBondContact NE2-OG 2.8Å; Q649-S695 VanDerWaalsContact NE2-OG 3.09Å; Q649-S696 PolarHBondContact OE1-OG 3.21Å
650T93.4Very high85.4Confident56 Ų5667.2 Ų67.234%0.34436%0.355SS..EExtended strand (participates in β ladder)trans-125.2136.7173.2-59.50000109V631V631-T650 CarbonylContact O-C 3.58Å
651F92.9Very high86.8Confident16 Ų1665.7 Ų65.77%0.0735%0.345CS..EExtended strand (participates in β ladder)trans-121.3112.4178.8-51.5-92.6000109.8V631 Q649 V653 L668 W681V631-F651 HydrophobicContact CB-CB 4.33Å; V631-F651 HydrophobicContact CB-CD2 4.47Å; V631-F651 HydrophobicContact CG1-CD2 4.48Å; V631-F651 PolarHBondContact N-O 2.9Å; V631-F651 WeakPolarHBondContact O-CD2 3.41Å; V631-F651 PolarHBondContact O-N 2.98Å; Q649-F651 HydrophobicContact CB-CE2 4.2Å; Q649-F651 HydrophobicContact CB-CZ 4.3Å; Q649-F651 HydrophobicContact CG-CD2 4.42Å; Q649-F651 HydrophobicContact CG-CE1 3.99Å; Q649-F651 HydrophobicContact CG-CE2 3.83Å; Q649-F651 HydrophobicContact CG-CZ 3.61Å; F651-V653 HydrophobicContact CB-CG1 4.48Å; F651-V653 PolarHBondContact O-N 3Å; F651-L668 HydrophobicContact CD2-CD2 3.88Å; F651-L668 HydrophobicContact CE2-CD2 3.34Å; F651-L668 HydrophobicContact CZ-CD2 3.93Å; F651-W681 HydrophobicContact CB-CH2 4.04Å; F651-W681 HydrophobicContact CB-CZ2 3.6Å; F651-W681 HydrophobicContact CD1-CD2 4.32Å; F651-W681 AromaticContact CD1-CE2 3.58Å; F651-W681 AromaticContact CD1-CZ2 3.76Å; F651-W681 HydrophobicContact CD1-CZ2 3.76Å; F651-W681 AromaticContact CD1-NE1 3.46Å; F651-W681 HydrophobicContact CD2-CZ2 4.49Å; F651-W681 AromaticContact CE1-CD1 3.84Å; F651-W681 HydrophobicContact CE1-CD2 4.29Å; F651-W681 AromaticContact CE1-CE2 3.97Å; F651-W681 HydrophobicContact CE1-CG 4.23Å; F651-W681 AromaticContact CE1-NE1 3.69Å; F651-W681 HydrophobicContact CG-CH2 4.22Å; F651-W681 AromaticContact CG-CZ2 3.73Å; F651-W681 HydrophobicContact CG-CZ2 3.73Å
652N91.9Very high88.2Confident128 Ų12863.3 Ų63.368%0.68433%0.331SS*.EExtended strand (participates in β ladder)trans-93.779.1177.1-60.2-21.2000108.8R630R630-N652 WeakPolarHBondContact CG-OD1 3.36Å
653V85.4Confident89.5Confident50 Ų5060 Ų6030%0.30330%0.295SS..  trans-119-28.8-172.4-69.70000115.8F651 R679 W681F651-V653 HydrophobicContact CB-CG1 4.48Å; F651-V653 PolarHBondContact O-N 3Å; V653-R679 HydrophobicContact CB-CG 4.37Å; V653-R679 HydrophobicContact CG1-CG 4.5Å; V653-R679 HydrophobicContact CG2-CB 4.33Å; V653-R679 HydrophobicContact CG2-CG 4.17Å; V653-W681 HydrophobicContact CB-CZ2 4.27Å; V653-W681 HydrophobicContact CG1-CZ2 3.77Å; V653-W681 HydrophobicContact CG2-CH2 3.56Å; V653-W681 HydrophobicContact CG2-CZ2 3.57Å
654H92.5Very high90.1Very high11 Ų1152.5 Ų52.55%0.05127%0.268CS..  trans-97.5149.9174.6-57.2-73.3000109.4G629 S670 C672 H677G629-H654 WeakPolarHBondContact O-CB 3.11Å; G629-H654 PolarHBondContact O-N 3.42Å; H654-S670 PolarHBondContact NE2-OG 3.23Å; H654-C672 HydrophobicContact CB-CB 3.79Å; H654-C672 PolarHBondContact ND1-SG 3.19Å; H654-H677 AromaticContact CE1-ND1 3.75Å; H654-H677 PolarHBondContact CE1-O 3.12Å; H654-H677 VanDerWaalsContact CE1-O 3.25Å; H654-H677 AromaticContact ND1-ND1 3.4Å; H654-H677 PolarHBondContact ND1-ND1 3.07Å
655R89.9Confident90.3Very high217 Ų21754.2 Ų54.282%0.81927%0.267SS*.SBendtrans-97.8-3173.4-66.3-179.2173.9-173.2-4113.2
656S91Very high90.2Very high37 Ų3757.2 Ų57.226%0.25928%0.279SS..SBendtrans-138.8157.7-171.3-72.30000110.1G629 V658 C672 E674G629-S656 VanDerWaalsContact CA-O 3.23Å; G629-S656 WeakPolarHBondContact CA-O 3.11Å; S656-V658 PolarHBondContact O-N 3.06Å; S656-C672 WeakPolarHBondContact O-CB 3.26Å; S656-E674 WeakPolarHBondContact CB-OE2 3.47Å; S656-E674 PolarHBondContact OG-OE2 3.38Å
657M93.4Very high90.4Very high23 Ų2351.8 Ų51.811%0.11325%0.253CS..  trans-35.9121.9-179.5-175.4-162.8-6400113.7T602 L627 T659 C672 N673 P1014 I1016T602-M657 HydrophobicContact CG2-CG 3.89Å; T602-M657 HydrophobicContact CG2-SD 4.33Å; L627-M657 HydrophobicContact CD1-CB 4.13Å; L627-M657 HydrophobicContact CD1-CE 3.52Å; L627-M657 HydrophobicContact CD1-CG 4.01Å; L627-M657 VanDerWaalsContact O-CA 3.26Å; L627-M657 WeakPolarHBondContact O-CA 3.31Å; L627-M657 PolarHBondContact O-N 2.65Å; M657-T659 PolarHBondContact O-N 3.33Å; M657-T659 HydrophobicContact SD-CG2 4.47Å; M657-C672 CarbonylContact O-C 3.58Å; M657-C672 WeakPolarHBondContact O-CA 3.17Å; M657-C672 VanDerWaalsContact O-CB 3.25Å; M657-C672 WeakPolarHBondContact O-CB 3.49Å; M657-N673 HydrophobicContact CB-CB 4.5Å; M657-N673 PolarHBondContact O-N 2.86Å; M657-P1014 HydrophobicContact CE-CB 3.96Å; M657-I1016 HydrophobicContact CE-CD1 4.3Å; M657-I1016 HydrophobicContact CE-CG1 3.79Å; M657-I1016 HydrophobicContact SD-CD1 4.09Å; M657-I1016 HydrophobicContact SD-CG1 3.91Å; M657-I1016 HydrophobicContact SD-CG2 4.36Å
658V94.2Very high90.6Very high0 Ų048.3 Ų48.30%023%0.234CC..EExtended strand (participates in β ladder)trans-72.6112.9171-171.10000108.8T602 A603 T626 R630 V631 S656 R660 V661 V671T602-V658 WeakPolarHBondContact CB-O 3.48Å; T602-V658 PolarHBondContact OG1-O 2.8Å; A603-V658 HydrophobicContact CB-CG1 4.25Å; T626-V658 PolarHBondContact O-N 3.15Å; R630-V658 WeakPolarHBondContact O-CG2 3.36Å; V631-V658 HydrophobicContact CG2-CG1 4.31Å; V631-V658 HydrophobicContact CG2-CG2 4.06Å; S656-V658 PolarHBondContact O-N 3.06Å; V658-R660 VanDerWaalsContact CG1-O 3.3Å; V658-R660 WeakPolarHBondContact CG1-O 3.36Å; V658-V661 HydrophobicContact CG1-CG2 3.59Å; V658-V671 CarbonylContact C-O 3.48Å; V658-V671 WeakPolarHBondContact CG1-O 3.45Å
659T91.4Very high90.9Very high34 Ų3445.3 Ų45.321%0.20922%0.222CC..EExtended strand (participates in β ladder)trans-87.2-28-178.354.50000112.1M657 V671 C672 N673M657-T659 PolarHBondContact O-N 3.33Å; M657-T659 HydrophobicContact SD-CG2 4.47Å; T659-V671 PolarHBondContact N-O 3.07Å; T659-V671 PolarHBondContact OG1-O 3.33Å; T659-V671 VanDerWaalsContact OG1-O 3.12Å; T659-C672 PolarHBondContact OG1-O 3.44Å; T659-N673 HydrophobicContact CG2-CB 3.96Å
660R91.9Very high91.1Very high44 Ų4443.4 Ų43.417%0.16621%0.213CC..EExtended strand (participates in β ladder)trans-145.4148.2173.7-62.6-171.2-170.4121.521.8112.5V658 S670 V671 H1019 N1024 G1026V658-R660 VanDerWaalsContact CG1-O 3.3Å; V658-R660 WeakPolarHBondContact CG1-O 3.36Å; R660-S670 CarbonylContact O-C 3.57Å; R660-S670 WeakPolarHBondContact O-CA 3.35Å; R660-V671 HydrophobicContact CB-CB 4.28Å; R660-V671 HydrophobicContact CB-CG2 4.3Å; R660-V671 PolarHBondContact N-O 3.38Å; R660-V671 VanDerWaalsContact N-O 3.1Å; R660-V671 PolarHBondContact O-N 3.15Å; R660-H1019 PolarHBondContact NH2-CD2 3.34Å; R660-H1019 PolarHBondContact NH2-NE2 3.01Å; R660-H1019 VanDerWaalsContact NH2-NE2 3.16Å; R660-N1024 PolarHBondContact NH1-OD1 2.93Å; R660-N1024 PolarHBondContact NH2-OD1 3.11Å; R660-G1026 WeakPolarHBondContact CD-O 3.39Å; R660-G1026 PolarHBondContact NH1-O 2.96Å
661V94.2Very high91.1Very high8 Ų840.9 Ų40.95%0.04820%0.197CC..EExtended strand (participates in β ladder)trans-133.8142.1164.7178.90000107.1A603 S605 A623 V631 V658 L668 I669A603-V661 HydrophobicContact CB-CB 4.35Å; A603-V661 HydrophobicContact CB-CG2 3.96Å; S605-V661 WeakPolarHBondContact CB-O 3.31Å; A623-V661 HydrophobicContact CB-CG1 3.51Å; V631-V661 HydrophobicContact CG1-CG1 4.21Å; V631-V661 HydrophobicContact CG1-CG2 4.09Å; V658-V661 HydrophobicContact CG1-CG2 3.59Å; V661-L668 HydrophobicContact CG1-CD1 3.67Å; V661-I669 CarbonylContact C-O 3.57Å; V661-I669 VanDerWaalsContact CA-O 3.29Å; V661-I669 WeakPolarHBondContact CA-O 3.44Å
662V93.1Very high91Very high34 Ų3440.2 Ų40.221%0.20620%0.195CC..EExtended strand (participates in β ladder)trans-137.1126.6173173.90000108.9I669 P1027 L1035V662-I669 PolarHBondContact N-O 2.85Å; V662-I669 PolarHBondContact O-N 2.95Å; V662-P1027 HydrophobicContact CB-CG 4.05Å; V662-P1027 HydrophobicContact CG1-CG 4.44Å; V662-P1027 HydrophobicContact CG2-CG 3.73Å; V662-L1035 HydrophobicContact CG1-CD1 4.22Å; V662-L1035 HydrophobicContact CG1-CD2 4.49Å
663L91.5Very high90.8Very high8 Ų838.4 Ų38.44%0.04219%0.185CC..EExtended strand (participates in β ladder)trans-110.8116.6175.1179.464.3000109.9S605 H607 E621 A623 L633 L668 V683 I690S605-L663 PolarHBondContact OG-N 3.32Å; S605-L663 VanDerWaalsContact OG-N 3.1Å; H607-L663 HydrophobicContact CB-CB 4.46Å; H607-L663 HydrophobicContact CB-CD2 3.82Å; H607-L663 HydrophobicContact CB-CG 3.92Å; E621-L663 HydrophobicContact CB-CD2 3.81Å; A623-L663 HydrophobicContact CB-CB 3.97Å; A623-L663 HydrophobicContact CB-CD2 4.28Å; L633-L663 HydrophobicContact CD1-CD2 3.81Å; L663-L668 HydrophobicContact CD1-CB 4.45Å; L663-L668 HydrophobicContact CD1-CD1 4.39Å; L663-V683 HydrophobicContact CD1-CG2 4.32Å; L663-I690 HydrophobicContact CD1-CD1 4.21Å; L663-I690 HydrophobicContact CD2-CD1 4.3Å
664S87.7Confident90.7Very high21 Ų2139.7 Ų39.715%0.14719%0.187CC..  trans-113-178.2174.375.20000111.7K666 Y667 R685S664-K666 PolarHBondContact O-N 2.96Å; S664-K666 VanDerWaalsContact O-N 3.15Å; S664-K666 PolarHBondContact OG-N 3.25Å; S664-Y667 PolarHBondContact N-O 2.9Å; S664-Y667 PolarHBondContact OG-N 2.87Å; S664-Y667 PolarHBondContact OG-O 3.31Å; S664-R685 PolarHBondContact O-NH1 2.91Å; S664-R685 PolarHBondContact O-NH2 3.46Å; S664-R685 VanDerWaalsContact O-NH2 3.11Å
665E81.2Confident90Very high120 Ų12044.7 Ų44.756%0.56121%0.209SC*.SBendtrans-59.3-22.5177-65.5-165.6176.200113.8H607 R685H607-E665 VanDerWaalsContact CE1-CG 3.5Å; H607-E665 WeakPolarHBondContact CE1-CG 3.31Å; E665-R685 VanDerWaalsContact CA-NH1 3.29Å; E665-R685 PolarHBondContact O-NH1 3.5Å
666K85.2Confident89.6Confident69 Ų6936.2 Ų36.230%0.318%0.179SC..SBendtrans-130.5-22.3-172.4-175.7172.6-176.4176.30115.3S664 K682 V683 D1033S664-K666 PolarHBondContact O-N 2.96Å; S664-K666 VanDerWaalsContact O-N 3.15Å; S664-K666 PolarHBondContact OG-N 3.25Å; K666-K682 CarbonylContact O-C 3.55Å; K666-K682 VanDerWaalsContact O-CA 3.29Å; K666-K682 WeakPolarHBondContact O-CA 3.35Å; K666-V683 PolarHBondContact O-N 2.95Å; K666-D1033 WeakPolarHBondContact CB-OD1 3.39Å; K666-D1033 WeakPolarHBondContact CD-OD1 3.48Å; K666-D1033 WeakPolarHBondContact CD-OD2 3.32Å; K666-D1033 WeakPolarHBondContact CE-OD2 3.29Å; K666-D1033 IonicContact NZ-OD2 3.4Å; K666-D1033 PolarHBondContact NZ-OD2 2.82Å
667Y90.9Very high89.6Confident33 Ų3336 Ų3613%0.12917%0.173CC..EExtended strand (participates in β ladder)trans-132.6140.6-176.1-60-72.1000112.6S664 T680 W681 K682 V699S664-Y667 PolarHBondContact N-O 2.9Å; S664-Y667 PolarHBondContact OG-N 2.87Å; S664-Y667 PolarHBondContact OG-O 3.31Å; Y667-T680 HydrophobicContact CD1-CG2 3.83Å; Y667-T680 HydrophobicContact CG-CG2 4.25Å; Y667-W681 CarbonylContact C-O 3.53Å; Y667-W681 VanDerWaalsContact CA-O 3.26Å; Y667-W681 WeakPolarHBondContact CA-O 3.45Å; Y667-K682 HydrophobicContact CD1-CB 4.36Å; Y667-K682 HydrophobicContact CE1-CB 4.3Å; Y667-V699 HydrophobicContact CE1-CG1 4.46Å; Y667-V699 HydrophobicContact CE1-CG2 4.26Å
668L93.2Very high89.6Confident1 Ų134.9 Ų34.91%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-98.6126.8155.717563.8000106.6A623 V631 F651 V661 L663 T680 W681 V683A623-L668 HydrophobicContact CB-CD1 3.66Å; V631-L668 HydrophobicContact CG1-CD1 4.47Å; V631-L668 HydrophobicContact CG1-CD2 4.18Å; F651-L668 HydrophobicContact CD2-CD2 3.88Å; F651-L668 HydrophobicContact CE2-CD2 3.34Å; F651-L668 HydrophobicContact CZ-CD2 3.93Å; V661-L668 HydrophobicContact CG1-CD1 3.67Å; L663-L668 HydrophobicContact CD1-CB 4.45Å; L663-L668 HydrophobicContact CD1-CD1 4.39Å; L668-T680 WeakPolarHBondContact O-CA 3.47Å; L668-W681 HydrophobicContact CB-CE3 4.09Å; L668-W681 HydrophobicContact CD2-CE3 3.86Å; L668-W681 HydrophobicContact CD2-CZ3 4.02Å; L668-W681 HydrophobicContact CG-CE3 3.79Å; L668-W681 HydrophobicContact CG-CZ3 3.98Å; L668-W681 PolarHBondContact N-O 2.68Å; L668-W681 PolarHBondContact O-N 2.91Å; L668-V683 HydrophobicContact CB-CG2 3.63Å
669I94.1Very high89.5Confident2 Ų238.2 Ų38.21%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-122138.7176.4-52.7-166.5000108.2V661 V662 V678 T680 P1027 L1035 F1037 A1053V661-I669 CarbonylContact C-O 3.57Å; V661-I669 VanDerWaalsContact CA-O 3.29Å; V661-I669 WeakPolarHBondContact CA-O 3.44Å; V662-I669 PolarHBondContact N-O 2.85Å; V662-I669 PolarHBondContact O-N 2.95Å; I669-V678 HydrophobicContact CG2-CG1 3.89Å; I669-T680 HydrophobicContact CD1-CG2 4.18Å; I669-T680 HydrophobicContact CG1-CG2 3.77Å; I669-P1027 HydrophobicContact CD1-CG 4.47Å; I669-P1027 HydrophobicContact CG2-CG 4.35Å; I669-L1035 HydrophobicContact CD1-CB 4.22Å; I669-L1035 HydrophobicContact CD1-CD1 3.62Å; I669-L1035 HydrophobicContact CG1-CD1 4.31Å; I669-F1037 HydrophobicContact CG2-CE2 4.38Å; I669-F1037 HydrophobicContact CG2-CZ 3.98Å; I669-A1053 HydrophobicContact CD1-CB 3.55Å
670S95Very high89.6Confident0 Ų036.6 Ų36.60%017%0.171CC..EExtended strand (participates in β ladder)trans-134.1146.6174.661.90000110.6H654 R660 V678 R679 W681H654-S670 PolarHBondContact NE2-OG 3.23Å; R660-S670 CarbonylContact O-C 3.57Å; R660-S670 WeakPolarHBondContact O-CA 3.35Å; S670-V678 CarbonylContact O-C 3.59Å; S670-V678 WeakPolarHBondContact O-CA 3.42Å; S670-R679 PolarHBondContact N-O 3.43Å; S670-R679 PolarHBondContact O-N 3.35Å; S670-R679 PolarHBondContact OG-O 3.09Å; S670-R679 VanDerWaalsContact OG-O 3.1Å; S670-W681 WeakPolarHBondContact OG-CH2 3.27Å; S670-W681 WeakPolarHBondContact OG-CZ3 3.25Å
671V93.3Very high89.7Confident3 Ų335 Ų352%0.01817%0.165CC..EExtended strand (participates in β ladder)trans-133.7133.2177.1-166.20000107.9V658 T659 R660 H676 H677 V678 F1037V658-V671 CarbonylContact C-O 3.48Å; V658-V671 WeakPolarHBondContact CG1-O 3.45Å; T659-V671 PolarHBondContact N-O 3.07Å; T659-V671 PolarHBondContact OG1-O 3.33Å; T659-V671 VanDerWaalsContact OG1-O 3.12Å; R660-V671 HydrophobicContact CB-CB 4.28Å; R660-V671 HydrophobicContact CB-CG2 4.3Å; R660-V671 PolarHBondContact N-O 3.38Å; R660-V671 VanDerWaalsContact N-O 3.1Å; R660-V671 PolarHBondContact O-N 3.15Å; V671-H676 HydrophobicContact CG1-CB 4.41Å; V671-H677 WeakPolarHBondContact CA-O 3.48Å; V671-V678 HydrophobicContact CG1-CG2 4.18Å; V671-V678 HydrophobicContact CG2-CG1 4.46Å; V671-V678 HydrophobicContact CG2-CG2 4.1Å; V671-F1037 HydrophobicContact CG2-CE1 3.99Å; V671-F1037 HydrophobicContact CG2-CZ 3.89Å
672C91Very high89.6Confident2 Ų239 Ų391%0.01418%0.182CC..EExtended strand (participates in β ladder)trans-104179.5171.275.50000112.8H654 S656 M657 T659 H677H654-C672 HydrophobicContact CB-CB 3.79Å; H654-C672 PolarHBondContact ND1-SG 3.19Å; S656-C672 WeakPolarHBondContact O-CB 3.26Å; M657-C672 CarbonylContact O-C 3.58Å; M657-C672 WeakPolarHBondContact O-CA 3.17Å; M657-C672 VanDerWaalsContact O-CB 3.25Å; M657-C672 WeakPolarHBondContact O-CB 3.49Å; T659-C672 PolarHBondContact OG1-O 3.44Å; C672-H677 PolarHBondContact N-O 3.32Å; C672-H677 VanDerWaalsContact N-O 3.08Å
673N86.7Confident89.3Confident90 Ų9037.7 Ų37.748%0.48117%0.174SC..SBendtrans-67.6-52174.4-175.7-33.1000110.7M657 T659 F675 H676M657-N673 HydrophobicContact CB-CB 4.5Å; M657-N673 PolarHBondContact O-N 2.86Å; T659-N673 HydrophobicContact CG2-CB 3.96Å; N673-F675 PolarHBondContact O-N 2.91Å; N673-F675 VanDerWaalsContact O-N 3.15Å; N673-H676 PolarHBondContact O-N 2.96Å
674E82.4Confident89Confident76 Ų7638.9 Ų38.936%0.35518%0.181SC..G310 helixtrans-58.6110.6-171.4-169.6177.4172.300112.7S656 H676 H677S656-E674 WeakPolarHBondContact CB-OE2 3.47Å; S656-E674 PolarHBondContact OG-OE2 3.38Å; E674-H676 PolarHBondContact O-N 3.36Å; E674-H677 WeakPolarHBondContact O-CB 3.5Å; E674-H677 PolarHBondContact O-N 3.36Å
675F78Confident88.8Confident116 Ų11640.5 Ų40.551%0.50918%0.184SC..G310 helixtrans49.923.5-174.1-51-72.3000114.5N673 H677 H703 M704N673-F675 PolarHBondContact O-N 2.91Å; N673-F675 VanDerWaalsContact O-N 3.15Å; F675-H677 PolarHBondContact O-N 3.19Å; F675-H703 HydrophobicContact CB-CB 4.45Å; F675-H703 WeakPolarHBondContact CB-ND1 3.27Å; F675-H703 WeakPolarHBondContact O-CB 3.3Å; F675-H703 PolarHBondContact O-ND1 2.87Å; F675-M704 PolarHBondContact O-N 3.13Å
676H83Confident88.4Confident39 Ų3940.9 Ų40.918%0.18118%0.184CC..G310 helixtrans42.848.5-166.4-61.3-43.2000112.9V671 N673 E674 V678 M704V671-H676 HydrophobicContact CG1-CB 4.41Å; N673-H676 PolarHBondContact O-N 2.96Å; E674-H676 PolarHBondContact O-N 3.36Å; H676-V678 PolarHBondContact O-N 3.46Å; H676-M704 HydrophobicContact CB-CB 3.93Å; H676-M704 PolarHBondContact CD2-O 3.4Å; H676-M704 PolarHBondContact O-N 3.02Å; H676-M704 VanDerWaalsContact O-N 3.15Å
677H89.7Confident87.8Confident32 Ų3246.9 Ų46.915%0.14821%0.205CC..EExtended strand (participates in β ladder)trans-61.4119.8177.8179.2-145.8000110.5H654 V671 C672 E674 F675 S701 H703H654-H677 AromaticContact CE1-ND1 3.75Å; H654-H677 PolarHBondContact CE1-O 3.12Å; H654-H677 VanDerWaalsContact CE1-O 3.25Å; H654-H677 AromaticContact ND1-ND1 3.4Å; H654-H677 PolarHBondContact ND1-ND1 3.07Å; V671-H677 WeakPolarHBondContact CA-O 3.48Å; C672-H677 PolarHBondContact N-O 3.32Å; C672-H677 VanDerWaalsContact N-O 3.08Å; E674-H677 WeakPolarHBondContact O-CB 3.5Å; E674-H677 PolarHBondContact O-N 3.36Å; F675-H677 PolarHBondContact O-N 3.19Å; H677-S701 PolarHBondContact NE2-OG 3.45Å; H677-S701 VanDerWaalsContact NE2-OG 3.1Å; H677-H703 AromaticContact CD2-CE1 3.9Å; H677-H703 AromaticContact CG-CE1 3.8Å
678V93.1Very high86.8Confident0 Ų046.7 Ų46.70%021%0.212CC..EExtended strand (participates in β ladder)trans-97132.2174-174.60000109.4I669 S670 V671 H676 S701 F702 M704 F1037I669-V678 HydrophobicContact CG2-CG1 3.89Å; S670-V678 CarbonylContact O-C 3.59Å; S670-V678 WeakPolarHBondContact O-CA 3.42Å; V671-V678 HydrophobicContact CG1-CG2 4.18Å; V671-V678 HydrophobicContact CG2-CG1 4.46Å; V671-V678 HydrophobicContact CG2-CG2 4.1Å; H676-V678 PolarHBondContact O-N 3.46Å; V678-S701 WeakPolarHBondContact O-CA 3.39Å; V678-F702 HydrophobicContact CB-CD1 4.31Å; V678-F702 HydrophobicContact CB-CD2 4.14Å; V678-F702 HydrophobicContact CB-CE1 3.96Å; V678-F702 HydrophobicContact CB-CE2 3.8Å; V678-F702 HydrophobicContact CB-CG 4.39Å; V678-F702 HydrophobicContact CB-CZ 3.71Å; V678-F702 HydrophobicContact CG1-CE1 3.82Å; V678-F702 HydrophobicContact CG1-CE2 4.2Å; V678-F702 HydrophobicContact CG1-CZ 3.61Å; V678-F702 HydrophobicContact CG2-CD2 4.15Å; V678-F702 HydrophobicContact CG2-CE2 3.65Å; V678-F702 HydrophobicContact CG2-CZ 3.95Å; V678-F702 PolarHBondContact N-O 3.16Å; V678-F702 PolarHBondContact O-N 3.01Å; V678-F702 VanDerWaalsContact O-N 3.16Å; V678-M704 HydrophobicContact CG2-CE 4.07Å; V678-M704 HydrophobicContact CG2-CG 3.8Å; V678-M704 HydrophobicContact CG2-SD 4.1Å; V678-F1037 HydrophobicContact CG1-CE2 3.78Å; V678-F1037 HydrophobicContact CG1-CZ 3.83Å; V678-F1037 HydrophobicContact CG2-CE2 4.11Å; V678-F1037 HydrophobicContact CG2-CZ 3.95Å
679R93.9Very high85.8Confident70 Ų7048.9 Ų48.926%0.26422%0.224SC..EExtended strand (participates in β ladder)trans-126.4126.9168.8-168.472.8-176-161.8-2.2110.4V653 S670 W681 G700 S701V653-R679 HydrophobicContact CB-CG 4.37Å; V653-R679 HydrophobicContact CG1-CG 4.5Å; V653-R679 HydrophobicContact CG2-CB 4.33Å; V653-R679 HydrophobicContact CG2-CG 4.17Å; S670-R679 PolarHBondContact N-O 3.43Å; S670-R679 PolarHBondContact O-N 3.35Å; S670-R679 PolarHBondContact OG-O 3.09Å; S670-R679 VanDerWaalsContact OG-O 3.1Å; R679-W681 HydrophobicContact CB-CH2 4.14Å; R679-W681 HydrophobicContact CB-CZ2 4.48Å; R679-W681 HydrophobicContact CB-CZ3 4.44Å; R679-W681 HydrophobicContact CG-CH2 3.86Å; R679-W681 HydrophobicContact CG-CZ2 3.71Å; R679-W681 HydrophobicContact CG-CZ3 4.33Å; R679-W681 WeakPolarHBondContact O-CZ3 3.42Å; R679-G700 WeakPolarHBondContact CD-O 3.42Å; R679-S701 PolarHBondContact NH1-OG 3.1Å
680T93.7Very high85.3Confident0 Ų049 Ų490%022%0.224CC..EExtended strand (participates in β ladder)trans-122.9136-178.3-58.80000111.5Y667 L668 I669 V699 G700 A1053Y667-T680 HydrophobicContact CD1-CG2 3.83Å; Y667-T680 HydrophobicContact CG-CG2 4.25Å; L668-T680 WeakPolarHBondContact O-CA 3.47Å; I669-T680 HydrophobicContact CD1-CG2 4.18Å; I669-T680 HydrophobicContact CG1-CG2 3.77Å; T680-V699 HydrophobicContact CG2-CB 4.49Å; T680-V699 PolarHBondContact O-N 2.75Å; T680-G700 PolarHBondContact N-O 3.03Å; T680-G700 PolarHBondContact O-N 2.91Å; T680-A1053 PolarHBondContact OG1-O 2.81Å
681W93.3Very high84.3Confident11 Ų1150.1 Ų50.14%0.04223%0.232CC..EExtended strand (participates in β ladder)trans-121.5145.3170.6-50.4-107.3000110.2V631 F651 V653 Y667 L668 S670 R679 T697V631-W681 HydrophobicContact CB-CH2 4.46Å; V631-W681 HydrophobicContact CG2-CH2 4.37Å; F651-W681 HydrophobicContact CB-CH2 4.04Å; F651-W681 HydrophobicContact CB-CZ2 3.6Å; F651-W681 HydrophobicContact CD1-CD2 4.32Å; F651-W681 AromaticContact CD1-CE2 3.58Å; F651-W681 AromaticContact CD1-CZ2 3.76Å; F651-W681 HydrophobicContact CD1-CZ2 3.76Å; F651-W681 AromaticContact CD1-NE1 3.46Å; F651-W681 HydrophobicContact CD2-CZ2 4.49Å; F651-W681 AromaticContact CE1-CD1 3.84Å; F651-W681 HydrophobicContact CE1-CD2 4.29Å; F651-W681 AromaticContact CE1-CE2 3.97Å; F651-W681 HydrophobicContact CE1-CG 4.23Å; F651-W681 AromaticContact CE1-NE1 3.69Å; F651-W681 HydrophobicContact CG-CH2 4.22Å; F651-W681 AromaticContact CG-CZ2 3.73Å; F651-W681 HydrophobicContact CG-CZ2 3.73Å; V653-W681 HydrophobicContact CB-CZ2 4.27Å; V653-W681 HydrophobicContact CG1-CZ2 3.77Å; V653-W681 HydrophobicContact CG2-CH2 3.56Å; V653-W681 HydrophobicContact CG2-CZ2 3.57Å; Y667-W681 CarbonylContact C-O 3.53Å; Y667-W681 VanDerWaalsContact CA-O 3.26Å; Y667-W681 WeakPolarHBondContact CA-O 3.45Å; L668-W681 HydrophobicContact CB-CE3 4.09Å; L668-W681 HydrophobicContact CD2-CE3 3.86Å; L668-W681 HydrophobicContact CD2-CZ3 4.02Å; L668-W681 HydrophobicContact CG-CE3 3.79Å; L668-W681 HydrophobicContact CG-CZ3 3.98Å; L668-W681 PolarHBondContact N-O 2.68Å; L668-W681 PolarHBondContact O-N 2.91Å; S670-W681 WeakPolarHBondContact OG-CH2 3.27Å; S670-W681 WeakPolarHBondContact OG-CZ3 3.25Å; R679-W681 HydrophobicContact CB-CH2 4.14Å; R679-W681 HydrophobicContact CB-CZ2 4.48Å; R679-W681 HydrophobicContact CB-CZ3 4.44Å; R679-W681 HydrophobicContact CG-CH2 3.86Å; R679-W681 HydrophobicContact CG-CZ2 3.71Å; R679-W681 HydrophobicContact CG-CZ3 4.33Å; R679-W681 WeakPolarHBondContact O-CZ3 3.42Å; W681-T697 CarbonylContact C-O 3.57Å; W681-T697 WeakPolarHBondContact CA-O 3.25Å; W681-T697 WeakPolarHBondContact CB-O 3.23Å
682K91Very high83.2Confident93 Ų9354 Ų5440%0.40426%0.256SS..EExtended strand (participates in β ladder)trans-80.3122165.8178.4-177.8178.9-174.80108.4K666 Y667 S696 T697 V699K666-K682 CarbonylContact O-C 3.55Å; K666-K682 VanDerWaalsContact O-CA 3.29Å; K666-K682 WeakPolarHBondContact O-CA 3.35Å; Y667-K682 HydrophobicContact CD1-CB 4.36Å; Y667-K682 HydrophobicContact CE1-CB 4.3Å; K682-S696 CarbonylContact O-C 3.58Å; K682-S696 WeakPolarHBondContact O-CA 3.42Å; K682-T697 PolarHBondContact N-O 2.85Å; K682-T697 PolarHBondContact O-N 2.99Å; K682-V699 HydrophobicContact CB-CG2 3.64Å
683V88.2Confident82Confident6 Ų661.7 Ų61.74%0.03629%0.292CS..  trans-95.5130.3178176.20000108.4L663 K666 L668 I690L663-V683 HydrophobicContact CD1-CG2 4.32Å; K666-V683 PolarHBondContact O-N 2.95Å; L668-V683 HydrophobicContact CB-CG2 3.63Å; V683-I690 HydrophobicContact CG1-CB 4.3Å; V683-I690 HydrophobicContact CG1-CD1 3.85Å; V683-I690 HydrophobicContact CG1-CG1 3.61Å; V683-I690 HydrophobicContact CG1-CG2 3.78Å
684T84.9Confident81.1Confident32 Ų3261.5 Ų61.520%0.19630%0.296CS..  trans-104.5121.7179.925.10000110.6S691 P694T684-S691 PolarHBondContact O-N 2.77Å; T684-P694 HydrophobicContact CG2-CG 3.98Å; T684-P694 PolarHBondContact OG1-O 2.95Å
685R83.4Confident80.7Confident55 Ų5560.7 Ų60.721%0.20830%0.298CS..EExtended strand (participates in β ladder)trans-105.8134176.9-66.4-171.5172.477.9-9.6111.7H607 E621 S664 E665 I689 I690H607-R685 PolarHBondContact CD2-NH2 2.88Å; E621-R685 IonicContact OE1-NE 2.81Å; E621-R685 IonicContact OE2-CZ 3.26Å; E621-R685 IonicContact OE2-NE 2.7Å; E621-R685 PolarHBondContact OE2-NE 3.41Å; E621-R685 IonicContact OE2-NH2 2.74Å; E621-R685 PolarHBondContact OE2-NH2 3.48Å; S664-R685 PolarHBondContact O-NH1 2.91Å; S664-R685 PolarHBondContact O-NH2 3.46Å; S664-R685 VanDerWaalsContact O-NH2 3.11Å; E665-R685 VanDerWaalsContact CA-NH1 3.29Å; E665-R685 PolarHBondContact O-NH1 3.5Å; R685-I689 CarbonylContact C-O 3.4Å; R685-I689 WeakPolarHBondContact CA-O 3.33Å; R685-I689 WeakPolarHBondContact CB-O 3.34Å; R685-I690 HydrophobicContact CG-CG1 3.91Å
686F73.4Confident80.9Confident128 Ų12855.7 Ų55.756%0.56128%0.277SS*.EExtended strand (participates in β ladder)trans-111124.7172.6-175.7-114.5000108.6G688 I689F686-G688 PolarHBondContact O-N 3.15Å; F686-G688 VanDerWaalsContact O-N 3.11Å; F686-I689 PolarHBondContact N-O 2.79Å; F686-I689 WeakPolarHBondContact O-CB 3.22Å; F686-I689 PolarHBondContact O-N 3.29Å
687R72.4Confident81.1Confident196 Ų19657 Ų5774%0.7429%0.288SS*.THydrogen-bonded Turntrans50.732.3-174.7-65.5-176.1159.496.9-4.2114.7
688G69.7Low81.2Confident28 Ų2859.3 Ų59.329%0.28931%0.306SS..THydrogen-bonded Turntrans86.37.6179.900000115.6S609 F686S609-G688 WeakPolarHBondContact CB-O 3.36Å; S609-G688 PolarHBondContact OG-O 3.45Å; F686-G688 PolarHBondContact O-N 3.15Å; F686-G688 VanDerWaalsContact O-N 3.11Å
689I72.6Confident81Confident47 Ų4762.4 Ų62.424%0.24133%0.325CS..EExtended strand (participates in β ladder)trans-119.6135.2-174.4-52.7158.6000108.7W619 R685 F686 S691W619-I689 HydrophobicContact CD2-CG1 3.99Å; W619-I689 HydrophobicContact CD2-CG2 4.46Å; W619-I689 HydrophobicContact CE3-CG1 4.22Å; W619-I689 HydrophobicContact CE3-CG2 3.83Å; W619-I689 HydrophobicContact CH2-CB 4.25Å; W619-I689 HydrophobicContact CH2-CD1 3.6Å; W619-I689 HydrophobicContact CH2-CG1 3.73Å; W619-I689 HydrophobicContact CH2-CG2 3.49Å; W619-I689 VanDerWaalsContact CH2-CG2 3.49Å; W619-I689 HydrophobicContact CZ2-CB 4.43Å; W619-I689 HydrophobicContact CZ2-CD1 3.23Å; W619-I689 HydrophobicContact CZ2-CG1 3.44Å; W619-I689 VanDerWaalsContact CZ2-CG1 3.44Å; W619-I689 HydrophobicContact CZ2-CG2 4.14Å; W619-I689 HydrophobicContact CZ3-CB 4.32Å; W619-I689 HydrophobicContact CZ3-CD1 4.46Å; W619-I689 HydrophobicContact CZ3-CG1 4.12Å; W619-I689 HydrophobicContact CZ3-CG2 3.32Å; R685-I689 CarbonylContact C-O 3.4Å; R685-I689 WeakPolarHBondContact CA-O 3.33Å; R685-I689 WeakPolarHBondContact CB-O 3.34Å; F686-I689 PolarHBondContact N-O 2.79Å; F686-I689 WeakPolarHBondContact O-CB 3.22Å; F686-I689 PolarHBondContact O-N 3.29Å; I689-S691 PolarHBondContact O-N 2.92Å
690I82Confident80.7Confident4 Ų459.4 Ų59.42%0.02132%0.316CS..EExtended strand (participates in β ladder)trans-57.2127.6173.1-60.7169.9000110.8E621 L633 F648 L663 V683 R685E621-I690 HydrophobicContact CB-CD1 4.34Å; E621-I690 HydrophobicContact CG-CD1 4.37Å; E621-I690 WeakPolarHBondContact OE1-CG1 3.41Å; E621-I690 PolarHBondContact OE1-N 2.77Å; E621-I690 WeakPolarHBondContact OE2-CD1 3.36Å; L633-I690 HydrophobicContact CD1-CD1 3.92Å; L633-I690 HydrophobicContact CD2-CD1 3.62Å; L633-I690 HydrophobicContact CD2-CG2 4.07Å; L633-I690 HydrophobicContact CG-CD1 4.34Å; F648-I690 HydrophobicContact CD1-CG2 4.3Å; F648-I690 HydrophobicContact CE1-CB 4.39Å; F648-I690 HydrophobicContact CE1-CG2 3.59Å; F648-I690 WeakPolarHBondContact CE2-O 3.22Å; F648-I690 HydrophobicContact CZ-CB 4.3Å; F648-I690 HydrophobicContact CZ-CG2 3.86Å; F648-I690 WeakPolarHBondContact CZ-O 3.45Å; L663-I690 HydrophobicContact CD1-CD1 4.21Å; L663-I690 HydrophobicContact CD2-CD1 4.3Å; V683-I690 HydrophobicContact CG1-CB 4.3Å; V683-I690 HydrophobicContact CG1-CD1 3.85Å; V683-I690 HydrophobicContact CG1-CG1 3.61Å; V683-I690 HydrophobicContact CG1-CG2 3.78Å; R685-I690 HydrophobicContact CG-CG1 3.91Å
691S73.7Confident80.6Confident24 Ų2461.3 Ų61.317%0.16833%0.329CS..  trans-98.3145.5-180-171.30000111.4T684 I689 Q693T684-S691 PolarHBondContact O-N 2.77Å; I689-S691 PolarHBondContact O-N 2.92Å; S691-Q693 VanDerWaalsContact C-N 3.31Å; S691-Q693 PolarHBondContact OG-N 3.24Å; S691-Q693 VanDerWaalsContact OG-N 3.11Å; S691-Q693 PolarHBondContact OG-O 3.48Å
692T70.5Confident80.5Confident85 Ų8561.3 Ų61.352%0.52133%0.33SS..SBendtrans-80.3-16.4168.153.50000112.3F648 P694 S695F648-T692 HydrophobicContact CE1-CG2 3.84Å; F648-T692 HydrophobicContact CE2-CG2 3.97Å; F648-T692 HydrophobicContact CZ-CG2 3.44Å; F648-T692 VanDerWaalsContact CZ-CG2 3.44Å; T692-P694 CarbonylContact C-O 3.55Å; T692-P694 CarbonylContact O-C 3.39Å; T692-S695 WeakPolarHBondContact O-CA 3.3Å; T692-S695 PolarHBondContact O-N 3.27Å; T692-S695 VanDerWaalsContact O-N 3.17Å
693Q67.2Low80.3Confident164 Ų16460.3 Ų60.377%0.76633%0.326SS*.SBendtrans-130.6117.8-178.6-65.8-171.6-3.600111.1S691S691-Q693 VanDerWaalsContact C-N 3.31Å; S691-Q693 PolarHBondContact OG-N 3.24Å; S691-Q693 VanDerWaalsContact OG-N 3.11Å; S691-Q693 PolarHBondContact OG-O 3.48Å
694P67Low80Confident86 Ų8660.2 Ų60.256%0.55833%0.326SS*.SBendcis-60.1156.1-16.631.2-36.4000110.9T684 T692T684-P694 HydrophobicContact CG2-CG 3.98Å; T684-P694 PolarHBondContact OG1-O 2.95Å; T692-P694 CarbonylContact C-O 3.55Å; T692-P694 CarbonylContact O-C 3.39Å
695S74.2Confident79.3Confident58 Ų5860.4 Ų60.441%0.40633%0.327SS..  trans-75163.5176.2-162.90000111.6Q649 T692 T697Q649-S695 PolarHBondContact NE2-OG 2.8Å; Q649-S695 VanDerWaalsContact NE2-OG 3.09Å; T692-S695 WeakPolarHBondContact O-CA 3.3Å; T692-S695 PolarHBondContact O-N 3.27Å; T692-S695 VanDerWaalsContact O-N 3.17Å; S695-T697 PolarHBondContact O-N 3.2Å; S695-T697 VanDerWaalsContact O-N 3.11Å
696S82.5Confident78.6Confident11 Ų1160.7 Ų60.78%0.07733%0.332CS..  trans-53.9112.3177.8-55.60000111.7Q649 K682Q649-S696 PolarHBondContact OE1-OG 3.21Å; K682-S696 CarbonylContact O-C 3.58Å; K682-S696 WeakPolarHBondContact O-CA 3.42Å
697T87.6Confident78.1Confident67 Ų6756.6 Ų56.641%0.41132%0.316SS..EExtended strand (participates in β ladder)trans-91.5131.3-17236.70000111.4W681 K682 S695W681-T697 CarbonylContact C-O 3.57Å; W681-T697 WeakPolarHBondContact CA-O 3.25Å; W681-T697 WeakPolarHBondContact CB-O 3.23Å; K682-T697 PolarHBondContact N-O 2.85Å; K682-T697 PolarHBondContact O-N 2.99Å; S695-T697 PolarHBondContact O-N 3.2Å; S695-T697 VanDerWaalsContact O-N 3.11Å
698P90.5Very high77.3Confident81 Ų8151.4 Ų51.453%0.52630%0.302SS..EExtended strand (participates in β ladder)trans-67.7139.8178.428.7-34.5000111.6
699V89.9Confident76.5Confident64 Ų6454 Ų5439%0.38831%0.313SS..EExtended strand (participates in β ladder)trans-124.4-42.5-175.4-1760000112.5Y667 T680 K682 S1054 T1055Y667-V699 HydrophobicContact CE1-CG1 4.46Å; Y667-V699 HydrophobicContact CE1-CG2 4.26Å; T680-V699 HydrophobicContact CG2-CB 4.49Å; T680-V699 PolarHBondContact O-N 2.75Å; K682-V699 HydrophobicContact CB-CG2 3.64Å; V699-S1054 WeakPolarHBondContact CG1-O 3.41Å; V699-T1055 HydrophobicContact CG1-CG2 4.45Å
700G87.8Confident75.4Confident8 Ų856.2 Ų56.28%0.08233%0.325CS..EExtended strand (participates in β ladder)trans-140.8144.9-171.100000112.8R679 T680 S1054R679-G700 WeakPolarHBondContact CD-O 3.42Å; T680-G700 PolarHBondContact N-O 3.03Å; T680-G700 PolarHBondContact O-N 2.91Å; G700-S1054 WeakPolarHBondContact CA-O 3.19Å
701S91.8Very high73.5Confident39 Ų3962.9 Ų62.927%0.27336%0.361SS..EExtended strand (participates in β ladder)trans-153.2106.2177.5-164.80000108.8H677 V678 R679H677-S701 PolarHBondContact NE2-OG 3.45Å; H677-S701 VanDerWaalsContact NE2-OG 3.1Å; V678-S701 WeakPolarHBondContact O-CA 3.39Å; R679-S701 PolarHBondContact NH1-OG 3.1Å
702F89.8Confident72.1Confident12 Ų1267 Ų675%0.05339%0.385CS..EExtended strand (participates in β ladder)trans-155.1162.6-173.859.4-86.8000111.1V678 M704 F1037V678-F702 HydrophobicContact CB-CD1 4.31Å; V678-F702 HydrophobicContact CB-CD2 4.14Å; V678-F702 HydrophobicContact CB-CE1 3.96Å; V678-F702 HydrophobicContact CB-CE2 3.8Å; V678-F702 HydrophobicContact CB-CG 4.39Å; V678-F702 HydrophobicContact CB-CZ 3.71Å; V678-F702 HydrophobicContact CG1-CE1 3.82Å; V678-F702 HydrophobicContact CG1-CE2 4.2Å; V678-F702 HydrophobicContact CG1-CZ 3.61Å; V678-F702 HydrophobicContact CG2-CD2 4.15Å; V678-F702 HydrophobicContact CG2-CE2 3.65Å; V678-F702 HydrophobicContact CG2-CZ 3.95Å; V678-F702 PolarHBondContact N-O 3.16Å; V678-F702 PolarHBondContact O-N 3.01Å; V678-F702 VanDerWaalsContact O-N 3.16Å; F702-M704 HydrophobicContact CD2-CG 4.18Å; F702-M704 HydrophobicContact CE2-CG 3.87Å; F702-M704 HydrophobicContact CE2-SD 4.34Å; F702-F1037 HydrophobicContact CE2-CD2 4.28Å; F702-F1037 HydrophobicContact CE2-CE2 4.33Å; F702-F1037 HydrophobicContact CZ-CD2 4.03Å; F702-F1037 AromaticContact CZ-CE2 3.84Å; F702-F1037 HydrophobicContact CZ-CE2 3.84Å
703H86.7Confident71.2Confident72 Ų7263.6 Ų63.633%0.33336%0.364SS..EExtended strand (participates in β ladder)trans-102.6144.7177.3-64.9-74.9000110.9F675 H677F675-H703 HydrophobicContact CB-CB 4.45Å; F675-H703 WeakPolarHBondContact CB-ND1 3.27Å; F675-H703 WeakPolarHBondContact O-CB 3.3Å; F675-H703 PolarHBondContact O-ND1 2.87Å; H677-H703 AromaticContact CD2-CE1 3.9Å; H677-H703 AromaticContact CG-CE1 3.8Å
704M82.1Confident70.6Confident4 Ų461.2 Ų61.22%0.0235%0.353CS..  trans-111.353.4171.8-64.4-162.4-50.400111F675 H676 V678 F702 I706 P1025 F1037F675-M704 PolarHBondContact O-N 3.13Å; H676-M704 HydrophobicContact CB-CB 3.93Å; H676-M704 PolarHBondContact CD2-O 3.4Å; H676-M704 PolarHBondContact O-N 3.02Å; H676-M704 VanDerWaalsContact O-N 3.15Å; V678-M704 HydrophobicContact CG2-CE 4.07Å; V678-M704 HydrophobicContact CG2-CG 3.8Å; V678-M704 HydrophobicContact CG2-SD 4.1Å; F702-M704 HydrophobicContact CD2-CG 4.18Å; F702-M704 HydrophobicContact CE2-CG 3.87Å; F702-M704 HydrophobicContact CE2-SD 4.34Å; M704-I706 PolarHBondContact O-N 3.25Å; M704-P1025 HydrophobicContact CE-CB 4.16Å; M704-P1025 HydrophobicContact CE-CG 4.15Å; M704-F1037 HydrophobicContact CE-CD1 3.42Å; M704-F1037 VanDerWaalsContact CE-CD1 3.42Å; M704-F1037 HydrophobicContact CE-CE1 3.56Å; M704-F1037 HydrophobicContact CE-CG 4Å; M704-F1037 HydrophobicContact CE-CZ 4.28Å; M704-F1037 HydrophobicContact SD-CB 3.49Å; M704-F1037 WeakPolarHBondContact SD-CB 3.48Å; M704-F1037 HydrophobicContact SD-CD1 3.41Å; M704-F1037 WeakPolarHBondContact SD-CD1 3.26Å; M704-F1037 HydrophobicContact SD-CD2 3.76Å; M704-F1037 HydrophobicContact SD-CE1 3.94Å; M704-F1037 HydrophobicContact SD-CE2 4.29Å; M704-F1037 HydrophobicContact SD-CG 3.29Å; M704-F1037 WeakPolarHBondContact SD-CG 3.48Å; M704-F1037 HydrophobicContact SD-CZ 4.36Å
705T70.8Confident70Confident36 Ų3662.6 Ų62.622%0.22135%0.352CS..  trans-51.6133-178.9-42.80000111.4L707 L716 I720 Q1039T705-L707 HydrophobicContact CG2-CD2 4.32Å; T705-L716 HydrophobicContact CG2-CD2 4.44Å; T705-I720 HydrophobicContact CG2-CD1 4.49Å; T705-Q1039 PolarHBondContact O-NE2 2.54Å
706I67.8Low69.2Low61 Ų6162.7 Ų62.731%0.31335%0.348SS..  trans-105.5138.6163.8-58.8176000105.9M704M704-I706 PolarHBondContact O-N 3.25Å
707L62.6Low68Low42 Ų4264.1 Ų64.122%0.2236%0.356CS..  trans-9898176.5-60.8175.8000108.2T705 T713 L716 V717 I720 L1041 T1042T705-L707 HydrophobicContact CG2-CD2 4.32Å; L707-T713 HydrophobicContact CD2-CG2 4.45Å; L707-L716 HydrophobicContact CD2-CD2 4.39Å; L707-V717 HydrophobicContact CD1-CG2 4.15Å; L707-V717 HydrophobicContact CD2-CG2 3.96Å; L707-V717 HydrophobicContact CG-CG2 4.5Å; L707-I720 HydrophobicContact CD2-CD1 4.15Å; L707-L1041 PolarHBondContact N-O 3.08Å; L707-T1042 HydrophobicContact CB-CG2 4.1Å
708D56.4Low66.7Low86 Ų8665.3 Ų65.346%0.4636%0.36SS..  trans-66.6145.4170.9-69-36.8000110.7N710 T713D708-N710 PolarHBondContact O-N 3.35Å; D708-N710 VanDerWaalsContact O-N 3.09Å; D708-T713 WeakPolarHBondContact O-CB 3.47Å; D708-T713 WeakPolarHBondContact O-CG2 3.38Å; D708-T713 PolarHBondContact O-OG1 3.3Å
709T53.3Low65.2Low83 Ų8364.2 Ų64.251%0.50935%0.354SS..SBendtrans-84.529.3-177.354.90000114.1Q1044T709-Q1044 VanDerWaalsContact CG2-OE1 3.31Å
710N49.7Very low63.7Low93 Ų9364.1 Ų64.150%0.49735%0.35SS..SBendtrans-89.1148.8178.6-63.1-33.7000110.3D708 T712 T713D708-N710 PolarHBondContact O-N 3.35Å; D708-N710 VanDerWaalsContact O-N 3.09Å; N710-T712 PolarHBondContact O-N 3.1Å; N710-T713 WeakPolarHBondContact O-CA 3.49Å; N710-T713 WeakPolarHBondContact O-CB 3.18Å; N710-T713 PolarHBondContact O-N 2.91Å; N710-T713 PolarHBondContact O-OG1 2.82Å; N710-T713 VanDerWaalsContact O-OG1 3.1Å
711N40.7Very low62.4Low144 Ų14467 Ų6777%0.7736%0.364SS*.Hα-helixtrans-59.2-22.5-179-68.1-3.1000113.9T713 Q714N711-T713 VanDerWaalsContact C-N 3.31Å; N711-Q714 PolarHBondContact O-N 3.12Å
712T45.5Very low61.1Low110 Ų11069.7 Ų69.768%0.67537%0.372SS*.Hα-helixtrans-67.4-30171.341.70000112.8N710 Q714N710-T712 PolarHBondContact O-N 3.1Å; T712-Q714 VanDerWaalsContact C-N 3.34Å
713T51.1Low59.2Low14 Ų1470.4 Ų70.49%0.08638%0.38CS..Hα-helixtrans-77-18.5178.9-26.70000112.6L707 D708 N710 N711 Q715 L716 V717L707-T713 HydrophobicContact CD2-CG2 4.45Å; D708-T713 WeakPolarHBondContact O-CB 3.47Å; D708-T713 WeakPolarHBondContact O-CG2 3.38Å; D708-T713 PolarHBondContact O-OG1 3.3Å; N710-T713 WeakPolarHBondContact O-CA 3.49Å; N710-T713 WeakPolarHBondContact O-CB 3.18Å; N710-T713 PolarHBondContact O-N 2.91Å; N710-T713 PolarHBondContact O-OG1 2.82Å; N710-T713 VanDerWaalsContact O-OG1 3.1Å; N711-T713 VanDerWaalsContact C-N 3.31Å; T713-Q715 VanDerWaalsContact C-N 3.29Å; T713-Q715 PolarHBondContact O-N 2.86Å; T713-L716 HydrophobicContact CG2-CB 4.11Å; T713-L716 HydrophobicContact CG2-CD2 3.98Å; T713-L716 CarbonylContact O-C 3.6Å; T713-L716 WeakPolarHBondContact O-CA 3.48Å; T713-L716 WeakPolarHBondContact O-CB 3.44Å; T713-L716 PolarHBondContact O-N 3.06Å; T713-V717 WeakPolarHBondContact O-CG2 3.32Å; T713-V717 PolarHBondContact O-N 3.03Å
714Q54Low57.4Low114 Ų11467.5 Ų67.553%0.53337%0.369SS..Hα-helixtrans-53.1-49.3172.4-120.977.17.300110.5N711 T712 L716 V717 D718N711-Q714 PolarHBondContact O-N 3.12Å; T712-Q714 VanDerWaalsContact C-N 3.34Å; Q714-L716 PolarHBondContact O-N 3.25Å; Q714-V717 WeakPolarHBondContact O-CB 3.48Å; Q714-V717 PolarHBondContact O-N 2.89Å; Q714-V717 VanDerWaalsContact O-N 3.11Å; Q714-D718 VanDerWaalsContact O-CG 3.22Å; Q714-D718 PolarHBondContact O-N 3.45Å
715Q55.8Low55.9Low115 Ų11572 Ų7254%0.53739%0.389SS..Hα-helixtrans-61.9-31177.1-64-176.8-7.900113.1T713 S719T713-Q715 VanDerWaalsContact C-N 3.29Å; T713-Q715 PolarHBondContact O-N 2.86Å; Q715-S719 VanDerWaalsContact O-CB 3.28Å; Q715-S719 WeakPolarHBondContact O-CB 3.49Å; Q715-S719 PolarHBondContact O-N 3.35Å; Q715-S719 PolarHBondContact O-OG 2.68Å
716L56.2Low55Low60 Ų6073.8 Ų73.831%0.31440%0.395SS..Hα-helixtrans-73.1-42.6174.7-169.280.5000111.1T705 L707 T713 Q714 S719 I720T705-L716 HydrophobicContact CG2-CD2 4.44Å; L707-L716 HydrophobicContact CD2-CD2 4.39Å; T713-L716 HydrophobicContact CG2-CB 4.11Å; T713-L716 HydrophobicContact CG2-CD2 3.98Å; T713-L716 CarbonylContact O-C 3.6Å; T713-L716 WeakPolarHBondContact O-CA 3.48Å; T713-L716 WeakPolarHBondContact O-CB 3.44Å; T713-L716 PolarHBondContact O-N 3.06Å; Q714-L716 PolarHBondContact O-N 3.25Å; L716-S719 PolarHBondContact O-N 3.01Å; L716-I720 HydrophobicContact CD2-CD1 4.22Å; L716-I720 HydrophobicContact CG-CD1 3.92Å; L716-I720 WeakPolarHBondContact O-CB 3.41Å; L716-I720 VanDerWaalsContact O-CG1 3.23Å; L716-I720 WeakPolarHBondContact O-CG1 3.35Å; L716-I720 PolarHBondContact O-N 3.33Å
717V58.4Low53.9Low41 Ų4174.3 Ų74.325%0.24840%0.403CS..Hα-helixtrans-60.9-47.1174.3171.50000110L707 T713 Q714 S719 I720 L721L707-V717 HydrophobicContact CD1-CG2 4.15Å; L707-V717 HydrophobicContact CD2-CG2 3.96Å; L707-V717 HydrophobicContact CG-CG2 4.5Å; T713-V717 WeakPolarHBondContact O-CG2 3.32Å; T713-V717 PolarHBondContact O-N 3.03Å; Q714-V717 WeakPolarHBondContact O-CB 3.48Å; Q714-V717 PolarHBondContact O-N 2.89Å; Q714-V717 VanDerWaalsContact O-N 3.11Å; V717-S719 PolarHBondContact O-N 2.87Å; V717-I720 PolarHBondContact O-N 3.04Å; V717-L721 WeakPolarHBondContact O-CB 3.29Å; V717-L721 PolarHBondContact O-N 3.26Å
718D60.2Low53.2Low93 Ų9378 Ų7850%0.49742%0.419SS..Hα-helixtrans-60.2-44.1175.8-65.2-31.5000111.2Q714 L721 E722Q714-D718 VanDerWaalsContact O-CG 3.22Å; Q714-D718 PolarHBondContact O-N 3.45Å; D718-L721 PolarHBondContact O-N 3.15Å; D718-E722 VanDerWaalsContact O-CB 3.29Å; D718-E722 WeakPolarHBondContact O-CB 3.33Å; D718-E722 PolarHBondContact O-N 3.29Å
719S58.7Low52.7Low58 Ų5880.9 Ų80.941%0.40643%0.427SS..Hα-helixtrans-64.6-40.3176.9-620000112.8Q715 L716 V717 A723Q715-S719 VanDerWaalsContact O-CB 3.28Å; Q715-S719 WeakPolarHBondContact O-CB 3.49Å; Q715-S719 PolarHBondContact O-N 3.35Å; Q715-S719 PolarHBondContact O-OG 2.68Å; L716-S719 PolarHBondContact O-N 3.01Å; V717-S719 PolarHBondContact O-N 2.87Å; S719-A723 VanDerWaalsContact O-CB 3.29Å; S719-A723 WeakPolarHBondContact O-CB 3.22Å; S719-A723 PolarHBondContact O-N 3.48Å
720I58.9Low52.2Low61 Ų6180.7 Ų80.731%0.31342%0.42SS..Hα-helixtrans-69-40.9176.2-71.1166.5000110.4T705 L707 L716 V717 A723 A724T705-I720 HydrophobicContact CG2-CD1 4.49Å; L707-I720 HydrophobicContact CD2-CD1 4.15Å; L716-I720 HydrophobicContact CD2-CD1 4.22Å; L716-I720 HydrophobicContact CG-CD1 3.92Å; L716-I720 WeakPolarHBondContact O-CB 3.41Å; L716-I720 VanDerWaalsContact O-CG1 3.23Å; L716-I720 WeakPolarHBondContact O-CG1 3.35Å; L716-I720 PolarHBondContact O-N 3.33Å; V717-I720 PolarHBondContact O-N 3.04Å; I720-A723 PolarHBondContact O-N 3.15Å; I720-A724 VanDerWaalsContact O-CB 3.28Å; I720-A724 WeakPolarHBondContact O-CB 3.46Å; I720-A724 PolarHBondContact O-N 2.93Å
721L61.1Low52Low68 Ų6883.4 Ų83.436%0.35644%0.435SS..Hα-helixtrans-67-42.1177.9-175.964.3000111.2V717 D718 A724 Q725V717-L721 WeakPolarHBondContact O-CB 3.29Å; V717-L721 PolarHBondContact O-N 3.26Å; D718-L721 PolarHBondContact O-N 3.15Å; L721-A724 PolarHBondContact O-N 3.26Å; L721-Q725 WeakPolarHBondContact O-CB 3.02Å; L721-Q725 VanDerWaalsContact O-CG 3.26Å; L721-Q725 WeakPolarHBondContact O-CG 3.36Å; L721-Q725 PolarHBondContact O-N 2.83Å
722E63Low52Low96 Ų9682.3 Ų82.345%0.44943%0.428SS..Hα-helixtrans-65.9-42.1175.6-158.8-147.3-16900111.2D718 Q725 K726D718-E722 VanDerWaalsContact O-CB 3.29Å; D718-E722 WeakPolarHBondContact O-CB 3.33Å; D718-E722 PolarHBondContact O-N 3.29Å; E722-Q725 PolarHBondContact O-N 3.16Å; E722-K726 HydrophobicContact CG-CD 4.31Å; E722-K726 WeakPolarHBondContact O-CB 3.28Å; E722-K726 WeakPolarHBondContact O-CD 3.29Å; E722-K726 VanDerWaalsContact O-CG 3.24Å; E722-K726 WeakPolarHBondContact O-CG 3.2Å; E722-K726 PolarHBondContact O-N 2.93Å; E722-K726 WeakPolarHBondContact OE1-CE 3.48Å; E722-K726 IonicContact OE1-NZ 3.48Å; E722-K726 PolarHBondContact OE1-NZ 3.41Å; E722-K726 IonicContact OE2-NZ 3.62Å; E722-K726 PolarHBondContact OE2-NZ 2.87Å
723A50Low51.4Low27 Ų2781.5 Ų81.522%0.22342%0.42CS..Hα-helixtrans-61.6-42.6172.700000112.1S719 I720 K726 C727S719-A723 VanDerWaalsContact O-CB 3.29Å; S719-A723 WeakPolarHBondContact O-CB 3.22Å; S719-A723 PolarHBondContact O-N 3.48Å; I720-A723 PolarHBondContact O-N 3.15Å; A723-K726 PolarHBondContact O-N 3.39Å; A723-C727 PolarHBondContact O-N 2.88Å; A723-C727 PolarHBondContact O-SG 3.24Å; A723-C727 VanDerWaalsContact O-SG 3.37Å
724A49.4Very low50.6Low12 Ų1286.8 Ų86.810%0.09945%0.454CS..Hα-helixtrans-62.8-45.4175.700000112.2I720 L721 K726 C727 H728 I885I720-A724 VanDerWaalsContact O-CB 3.28Å; I720-A724 WeakPolarHBondContact O-CB 3.46Å; I720-A724 PolarHBondContact O-N 2.93Å; L721-A724 PolarHBondContact O-N 3.26Å; A724-K726 VanDerWaalsContact C-N 3.34Å; A724-K726 PolarHBondContact O-N 3.41Å; A724-C727 PolarHBondContact O-N 2.84Å; A724-H728 WeakPolarHBondContact O-CB 3.26Å; A724-H728 PolarHBondContact O-N 3.08Å; A724-I885 HydrophobicContact CB-CD1 3.46Å; A724-I885 VanDerWaalsContact CB-CD1 3.46Å; A724-I885 HydrophobicContact CB-CG1 3.72Å; A724-I885 HydrophobicContact CB-CG2 4.49Å
725Q50.3Low49.7Very low97 Ų9786.9 Ų86.945%0.45346%0.463SS..Hα-helixtrans-63.4-38.1175.9-73.2177.819.500112.1L721 E722 H728 K729L721-Q725 WeakPolarHBondContact O-CB 3.02Å; L721-Q725 VanDerWaalsContact O-CG 3.26Å; L721-Q725 WeakPolarHBondContact O-CG 3.36Å; L721-Q725 PolarHBondContact O-N 2.83Å; E722-Q725 PolarHBondContact O-N 3.16Å; Q725-H728 PolarHBondContact O-N 2.89Å; Q725-K729 WeakPolarHBondContact O-CB 3.49Å; Q725-K729 WeakPolarHBondContact O-CG 3.37Å; Q725-K729 PolarHBondContact O-N 3.48Å
726K52.9Low48.5Very low75 Ų7585.9 Ų85.933%0.32647%0.465SS..Hα-helixtrans-64.4-47174.6-75.6165.4175174.50111.5E722 A723 A724 H728 K729 Q730 V741E722-K726 HydrophobicContact CG-CD 4.31Å; E722-K726 WeakPolarHBondContact O-CB 3.28Å; E722-K726 WeakPolarHBondContact O-CD 3.29Å; E722-K726 VanDerWaalsContact O-CG 3.24Å; E722-K726 WeakPolarHBondContact O-CG 3.2Å; E722-K726 PolarHBondContact O-N 2.93Å; E722-K726 WeakPolarHBondContact OE1-CE 3.48Å; E722-K726 IonicContact OE1-NZ 3.48Å; E722-K726 PolarHBondContact OE1-NZ 3.41Å; E722-K726 IonicContact OE2-NZ 3.62Å; E722-K726 PolarHBondContact OE2-NZ 2.87Å; A723-K726 PolarHBondContact O-N 3.39Å; A724-K726 VanDerWaalsContact C-N 3.34Å; A724-K726 PolarHBondContact O-N 3.41Å; K726-H728 PolarHBondContact O-N 2.86Å; K726-K729 PolarHBondContact O-N 2.94Å; K726-Q730 PolarHBondContact O-N 3.05Å; K726-Q730 VanDerWaalsContact O-N 3.11Å; K726-V741 HydrophobicContact CD-CG1 4.21Å
727C44.9Very low47.2Very low72 Ų7290.9 Ų90.949%0.48649%0.486SS..Hα-helixtrans-61.5-42.5174.2-70.70000112.6A723 A724 Q730 N731A723-C727 PolarHBondContact O-N 2.88Å; A723-C727 PolarHBondContact O-SG 3.24Å; A723-C727 VanDerWaalsContact O-SG 3.37Å; A724-C727 PolarHBondContact O-N 2.84Å; C727-Q730 PolarHBondContact O-N 2.83Å; C727-N731 PolarHBondContact O-N 2.93Å; C727-N731 VanDerWaalsContact O-N 3.13Å
728H46.2Very low45.8Very low119 Ų11994.3 Ų94.355%0.55150%0.503SS*.Hα-helixtrans-65-40.6178.7-170.574.4000112A724 Q725 K726 Q730 N731 L732A724-H728 WeakPolarHBondContact O-CB 3.26Å; A724-H728 PolarHBondContact O-N 3.08Å; Q725-H728 PolarHBondContact O-N 2.89Å; K726-H728 PolarHBondContact O-N 2.86Å; H728-Q730 VanDerWaalsContact C-N 3.33Å; H728-Q730 PolarHBondContact O-N 3.48Å; H728-N731 PolarHBondContact O-N 2.93Å; H728-L732 PolarHBondContact O-N 2.88Å
729K46.6Very low44.3Very low146 Ų14697.5 Ų97.564%0.63552%0.515SS*.Hα-helixtrans-64.4-32.8174.3-75.7173.9179.5174.60113.2Q725 K726Q725-K729 WeakPolarHBondContact O-CB 3.49Å; Q725-K729 WeakPolarHBondContact O-CG 3.37Å; Q725-K729 PolarHBondContact O-N 3.48Å; K726-K729 PolarHBondContact O-N 2.94Å
730Q43.2Very low42.9Very low80 Ų80100.5 Ų100.537%0.37453%0.526SS..Hα-helixtrans-70.9-38.6174.4-75.5-173.2-3100112.6K726 C727 H728 L732 N733 E739K726-Q730 PolarHBondContact O-N 3.05Å; K726-Q730 VanDerWaalsContact O-N 3.11Å; C727-Q730 PolarHBondContact O-N 2.83Å; H728-Q730 VanDerWaalsContact C-N 3.33Å; H728-Q730 PolarHBondContact O-N 3.48Å; Q730-L732 PolarHBondContact O-N 2.87Å; Q730-N733 PolarHBondContact O-N 3.44Å; Q730-E739 PolarHBondContact NE2-O 2.77Å
731N45.3Very low41.4Very low149 Ų149101.4 Ų101.480%0.79753%0.534SS*.Hα-helixtrans-67.4-12.3177-86.4-4000114.5C727 H728C727-N731 PolarHBondContact O-N 2.93Å; C727-N731 VanDerWaalsContact O-N 3.13Å; H728-N731 PolarHBondContact O-N 2.93Å
732L41.6Very low39.6Very low122 Ų122107.6 Ų107.664%0.63955%0.552SS**THydrogen-bonded Turntrans-87.5-1.7175.4-77.1162.6000113.8H728 Q730H728-L732 PolarHBondContact O-N 2.88Å; Q730-L732 PolarHBondContact O-N 2.87Å
733N31.6Very low38Very low93 Ų93106.7 Ų106.750%0.49756%0.561SS.*  trans-132.795-175.1-143.44.6000111.4Q730 T735Q730-N733 PolarHBondContact O-N 3.44Å; N733-T735 PolarHBondContact O-N 3.07Å
734P33.7Very low36.9Very low124 Ų124111.9 Ų111.981%0.80558%0.581SS**THydrogen-bonded Turntrans-65.3-5-169.7-2535.2000116.9
735T35.2Very low35.9Very low117 Ų117115.6 Ų115.672%0.71861%0.606SS**THydrogen-bonded Turntrans-103.9-6.1-162.547.20000115.4N733N733-T735 PolarHBondContact O-N 3.07Å
736T31.7Very low34.8Very low94 Ų94116.9 Ų116.958%0.57762%0.621SS**  trans-11686-178.252.30000112.8
737Q29Very low33.6Very low164 Ų164119.8 Ų119.877%0.76664%0.639SS**  trans-79.1134.9169.4-66.2-171.4-3.300111.8
738N29.5Very low32.8Very low113 Ų113119.2 Ų119.260%0.60465%0.645SS**  trans8235.9165.4-50.3-65.2000119.9R890N738-R890 PolarHBondContact OD1-NH1 3.11Å; N738-R890 VanDerWaalsContact OD1-NH1 3.15Å
739E27.3Very low31.8Very low160 Ų160119.9 Ų119.975%0.74866%0.657SS**  trans-104.7101.9153.6-73.9-152.8130.200111.7Q730Q730-E739 PolarHBondContact NE2-O 2.77Å
740I28.9Very low30.8Very low121 Ų121120.6 Ų120.662%0.62167%0.668SS**  trans-87.5107.5176.4-58.3174.4000108.5R742I740-R742 PolarHBondContact O-N 3.48Å
741V28.6Very low30.1Very low81 Ų81125 Ų12549%0.49169%0.693SS.*  trans-69.3119.8177.7-175.60000110.3K726 A743K726-V741 HydrophobicContact CD-CG1 4.21Å; V741-A743 PolarHBondContact O-N 3.03Å
742R23.9Very low29.4Very low197 Ų197122.6 Ų122.674%0.74369%0.688SS**  trans-94.594.6179.4-170.4-167.4-60.1147.52.7110.5I740 H744I740-R742 PolarHBondContact O-N 3.48Å; R742-H744 WeakPolarHBondContact CD-NE2 3.37Å; R742-H744 PolarHBondContact O-N 2.88Å
743A27.6Very low28.7Very low77 Ų77128.8 Ų128.864%0.63670%0.703SS**  trans-70.6108170.500000110.2V741V741-A743 PolarHBondContact O-N 3.03Å
744H26.8Very low28.6Very low136 Ų136131.4 Ų131.463%0.6372%0.717SS**  trans-90.3128.6169.9-83.7-92000110R742R742-H744 WeakPolarHBondContact CD-NE2 3.37Å; R742-H744 PolarHBondContact O-N 2.88Å
745S29.4Very low28.6Very low91 Ų91133 Ų13364%0.63672%0.719SS**  trans-117.487.1158.2-177.40000108.8L747S745-L747 PolarHBondContact O-N 2.98Å
746V26.7Very low28.5Very low124 Ų124134.2 Ų134.275%0.75272%0.721SS**  trans-92.582.4166.7-178.40000106.8G748V746-G748 PolarHBondContact O-N 2.64Å
747L27.8Very low28.6Very low136 Ų136136.9 Ų136.971%0.71273%0.732SS**  trans-75.175.3169.4-90.7166.4000109.5S745S745-L747 PolarHBondContact O-N 2.98Å
748G27.9Very low28.7Very low59 Ų59133.1 Ų133.161%0.60872%0.724SS**  trans-69.5137.6170.300000111.1V746 N750V746-G748 PolarHBondContact O-N 2.64Å; G748-N750 PolarHBondContact O-N 2.86Å
749T25.3Very low28.8Very low133 Ų133135.3 Ų135.382%0.81674%0.736SS**SBendtrans-65.1113.6174.8500000111.1
750N25.2Very low29.1Very low162 Ų162132.2 Ų132.287%0.86673%0.731SS**  trans-177.284153.3-96.1-28.4000113.7G748G748-N750 PolarHBondContact O-N 2.86Å
751L28.7Very low29.3Very low172 Ų172132.9 Ų132.990%0.90174%0.736SS**  trans-151.5136.3158.6-73.9178.2000108.2
752S31.2Very low29.5Very low99 Ų99135.4 Ų135.469%0.69275%0.747SS**  cis-155.4114.2-23.545.50000108.1N754S752-N754 PolarHBondContact O-N 2.83Å; S752-N754 VanDerWaalsContact O-N 3.15Å
753R26.9Very low30Very low252 Ų252132.1 Ų132.195%0.95174%0.744SS**  trans-90.772-172.1-166-177-174.5179.42.3112.2
754N30.2Very low30.3Very low147 Ų147133.9 Ų133.979%0.78674%0.743SS**  trans-85.3120.9166.5-86.92000110.3S752S752-N754 PolarHBondContact O-N 2.83Å; S752-N754 VanDerWaalsContact O-N 3.15Å
755N33.6Very low30.6Very low158 Ų158133.1 Ų133.185%0.84574%0.744SS**  trans-147.4115.6154.6-136.413.2000108.5
756N32.1Very low30.7Very low143 Ų143135 Ų13577%0.76575%0.752SS**  trans-76.1134.4177.6-65.8-27.2000109.3
757N33.4Very low30.9Very low149 Ų149134.4 Ų134.480%0.79775%0.748SS**  -170.5119.2118.9-101.1-14.9000114.6
758S32.4Very low31Very low86 Ų86134.8 Ų134.860%0.60175%0.75SS**  trans50.2132133.666.50000122.5
759N31.1Very low31Very low159 Ų159138.2 Ų138.285%0.8576%0.755SS**  trans71.4125.8151.9-51.4-14.2000115.5
760S33.3Very low31.2Very low94 Ų94137.3 Ų137.366%0.65775%0.749SS**  cis-174.3123.238.7160.70000111.7
761N32.5Very low31.4Very low136 Ų136134.5 Ų134.573%0.72774%0.742SS**  trans59.6136.6140.4-57.3-9.2000122.7
762N34Very low31.5Very low133 Ų133134.3 Ų134.371%0.71174%0.742SS**  trans76.8114.9146.3-61.84.1000116.9
763N33.9Very low31.3Very low129 Ų129139 Ų13969%0.6975%0.745SS**  72.7136.385.1-70.945.5000112.3
764D34Very low31.3Very low114 Ų114134.8 Ų134.861%0.6174%0.739SS**  cis-155.8156.84.3-113.8-41000111.5
765N32.3Very low31.1Very low120 Ų120131.7 Ų131.764%0.64272%0.723SS**  trans36.1124.9146.4-59.3-45000122.6
766T31.4Very low30.8Very low131 Ų131129.7 Ų129.780%0.80472%0.719SS**  trans69.8156.3134.463.60000119.2
767V30.8Very low30.6Very low111 Ų111127.6 Ų127.667%0.67371%0.707SS**  cis-164.5152.1-17.1131.20000106.8
768N30.1Very low30.2Very low143 Ų143124.9 Ų124.977%0.76570%0.7SS**  trans64.5155.2169.4-72.30.4000117.7
769D28.9Very low29.9Very low132 Ų132130.4 Ų130.471%0.70671%0.709SS**  cis-161.4173.5-32-156.3-11.4000109
770T30Very low29.8Very low113 Ų113129.4 Ų129.469%0.69370%0.703SS**  trans72.4123.6160.562.60000121.2
771S29.1Very low29.3Very low103 Ų103132.3 Ų132.372%0.7271%0.711SS**  trans50.691.7144.259.20000121.1
772N31Very low29.1Very low168 Ų168135.2 Ų135.290%0.89872%0.717SS**  -155.199.5113.3-113.4-36.8000111.6I774N772-I774 PolarHBondContact O-N 3.31Å
773R26Very low28.6Very low198 Ų198135.6 Ų135.675%0.74772%0.715SS**  trans-87.386.5-172.6-105-174.3173.6-175.80.6112.4N775R773-N775 HydrophobicContact CB-CB 4.22Å; R773-N775 HydrophobicContact CG-CB 4.39Å; R773-N775 PolarHBondContact O-N 2.81Å
774I28Very low28.2Very low164 Ų164141 Ų14184%0.84173%0.725SS**  trans-75.7108.8149.3-61.4176.1000105.9N772 P776N772-I774 PolarHBondContact O-N 3.31Å; I774-P776 VanDerWaalsContact O-CD 3.26Å; I774-P776 WeakPolarHBondContact O-CD 3.44Å
775N25.6Very low27.9Very low81 Ų81142.8 Ų142.843%0.43373%0.73SS.*  trans-123.585.4-156.3-148.142.6000112.9R773 L777R773-N775 HydrophobicContact CB-CB 4.22Å; R773-N775 HydrophobicContact CG-CB 4.39Å; R773-N775 PolarHBondContact O-N 2.81Å; N775-L777 VanDerWaalsContact ND2-CD1 3.31Å; N775-L777 WeakPolarHBondContact ND2-CD1 3.33Å; N775-L777 PolarHBondContact O-N 3.01Å
776P28Very low27.5Very low117 Ų117142.3 Ų142.376%0.7674%0.736SS**  trans-83.197.2170.232.7-30.4000109.5I774I774-P776 VanDerWaalsContact O-CD 3.26Å; I774-P776 WeakPolarHBondContact O-CD 3.44Å
777L27.1Very low27.4Very low98 Ų98145.4 Ų145.451%0.51374%0.741SS.*  trans-129.2139-175.3-74.3-175.5000115.6N775N775-L777 VanDerWaalsContact ND2-CD1 3.31Å; N775-L777 WeakPolarHBondContact ND2-CD1 3.33Å; N775-L777 PolarHBondContact O-N 3.01Å
778S24.1Very low27.1Very low93 Ų93143.3 Ų143.365%0.6574%0.741SS**  trans-85.9152.6166.545.30000112
779Y27.8Very low27.1Very low201 Ų201141.7 Ų141.779%0.78874%0.742SS**  trans-136114.7158.3-73.4-89.3000106.4
780N27.8Very low27Very low138 Ų138140.7 Ų140.774%0.73874%0.736SS**  63.284.563.9-77.4-13.9000115
781L23.4Very low26.9Very low156 Ų156140.1 Ų140.182%0.81774%0.737SS**  trans11.2122134.9-171.578000117.5
782F27.7Very low26.9Very low197 Ų197147 Ų14786%0.86475%0.747SS**  trans-142.2151.5144.1-101.2-74.7000111.7
783Q24.1Very low26.7Very low140 Ų140144.3 Ų144.365%0.65474%0.741SS**  trans-114127.2-170.8160.5-165.2-25.400109.7H785Q783-H785 PolarHBondContact NE2-CE1 2.86Å; Q783-H785 VanDerWaalsContact NE2-CE1 3.32Å
784W25.7Very low26.9Very low242 Ų242140.7 Ų140.792%0.91775%0.746SS**  trans-139.7157.8165-84.890.9000111.7
785H26.2Very low26.9Very low153 Ų153138.9 Ų138.971%0.70875%0.748SS**  trans-105.8167.3-160.6-73.6-24.2000115.2Q783Q783-H785 PolarHBondContact NE2-CE1 2.86Å; Q783-H785 VanDerWaalsContact NE2-CE1 3.32Å
786S24.4Very low27.1Very low110 Ų110140 Ų14077%0.76977%0.769SS**  trans-80.2129.3-176.8-178.30000112.8
787H29.3Very low27Very low196 Ų196144.1 Ų144.191%0.90778%0.778SS**  trans-140.3133.3149.4-80.6-77.6000108.3
788G25.7Very low27.1Very low66 Ų66143.2 Ų143.268%0.6879%0.792SS**  trans-130.9158.2176.700000111.8
789S29.6Very low27.4Very low110 Ų110145.4 Ų145.477%0.76980%0.801SS**  trans-163.1126.7161.4-88.10000113.6
790N26.6Very low27.8Very low111 Ų111140.7 Ų140.759%0.59480%0.795SS**  trans46.898.6133.6-58.5-8.6000120.2
791S27.5Very low28Very low100 Ų100144.4 Ų144.470%0.69980%0.799SS**  47.2130.8116.169.20000120.9
792R28.4Very low28.4Very low248 Ų248142.4 Ų142.494%0.93679%0.789SS**  -169.915697-101.3169.3179.4-173.7-1.2112
793S26.8Very low28.7Very low111 Ų111140.1 Ų140.178%0.77679%0.785SS**  trans-106.4139.7179.254.20000111.6
794S32Very low29.1Very low123 Ų123140.6 Ų140.686%0.8679%0.791SS**  trans-150.7121.9163.955.50000111.4
795S27.8Very low29.4Very low125 Ų125134.1 Ų134.187%0.87478%0.779SS**  trans-84.5143.3174.952.30000112.4
796A29.7Very low29.8Very low105 Ų105132.2 Ų132.287%0.86878%0.783SS**  trans-154.7158.9158.200000111.1
797Q26.2Very low30.3Very low204 Ų204130.9 Ų130.995%0.95378%0.778SS**  trans-95.4152.1178.9-62.4159.3-44.400110.6
798G29Very low30.6Very low78 Ų78126.7 Ų126.780%0.80477%0.771SS**  trans-179.294.717600000115.6
799V30.1Very low31Very low140 Ų140129.1 Ų129.185%0.84877%0.772SS**  trans-113.1150.8162.8-148.70000104.1
800P35.9Very low31.3Very low102 Ų102128.9 Ų128.966%0.66277%0.771SS**  cis-155.9-161.239.539.1-13.3000117.6
801R32Very low31.8Very low216 Ų216129 Ų12982%0.81578%0.781SS**  trans77.2152.2155-72.2-175.5168.8175.9-0.4118.1
802D31.8Very low32.4Very low114 Ų114129.9 Ų129.961%0.6178%0.784SS**  cis-163.9168.6-9.4-115.8-18.6000113
803L33.7Very low32.6Very low149 Ų149125.8 Ų125.878%0.7878%0.779SS**  trans68.1150.5164.3-49.7127.9000117.1
804L31.8Very low33Very low149 Ų149124.9 Ų124.978%0.7877%0.773SS**  cis-165-171.9-20.6-105.8178.7000105.9
805T33.6Very low33.1Very low107 Ų107124 Ų12466%0.65677%0.767SS**  cis-144.1144.95.743.80000110.7
806S34.4Very low33.4Very low113 Ų113122.8 Ų122.879%0.7976%0.759SS**  trans42.4147.414368.60000123.1
807A34.7Very low33.4Very low82 Ų82123.1 Ų123.168%0.67876%0.755SS**  cis-151.2131.812.700000110.6
808S34.6Very low33.8Very low107 Ų107118 Ų11875%0.74874%0.742SS**  68.5137.798.680.30000115.9
809T35Very low33.8Very low117 Ų117119.2 Ų119.272%0.71874%0.738SS**  cis-154.4150.736.248.20000115.6
810S36.5Very low33.9Very low106 Ų106121 Ų12174%0.74174%0.737SS**  trans54.6142.5144.659.50000122.5
811S35.9Very low33.5Very low114 Ų114120.3 Ų120.380%0.79773%0.734SS**  cis-167.8162-6.1420000112.6
812P40Very low33.5Very low117 Ų117115.8 Ų115.876%0.7673%0.726SS**  trans-129.5-152.1-164.842.9-24.5000115.3
813L34Very low33.4Very low162 Ų162115.4 Ų115.485%0.84873%0.728SS**  trans110.8147.1167.2-62.8164.4000115.9
814S35.1Very low33.3Very low92 Ų92115.5 Ų115.564%0.64372%0.724SS**  cis-168.3167.5-10.551.90000114.1
815S33.4Very low33.3Very low105 Ų105115.8 Ų115.873%0.73472%0.721SS**  trans63.8150.3146.148.50000122
816S34.1Very low33Very low100 Ų100118.4 Ų118.470%0.69973%0.726SS**  cis-177157.9-16.151.90000113.4
817S30.4Very low32.8Very low112 Ų112118.7 Ų118.778%0.78372%0.719SS**  trans63.3158.4150.3450000120.5
818S33.4Very low32.6Very low97 Ų97121.6 Ų121.668%0.67872%0.718SS**  cis-167.5148.6-0.841.50000113.4
819S28.9Very low32.4Very low103 Ų103126.5 Ų126.572%0.7273%0.727SS**  trans51.1163.4145.3630000121.5
820Q33.5Very low32Very low178 Ų178128 Ų12883%0.83273%0.73SS**  cis-155.2-172.913.9-145.5153.8-3.600113.3
821S27.7Very low31.6Very low86 Ų86127.1 Ų127.160%0.60173%0.729SS**  trans-51.7176-172.356.50000118.8
822D32.1Very low31Very low121 Ų121129.8 Ų129.865%0.64773%0.734SS**  cis-149143.432.5-94.1-71.8000113.2
823T28.3Very low30.3Very low106 Ų106131 Ų13165%0.6573%0.734SS**  56.214287.583.40000115.8
824H33Very low30.2Very low152 Ų152128.9 Ų128.970%0.70473%0.73SS**  cis-158.8163.324.2-125.1-65.9000113.7
825Q31.2Very low29.8Very low154 Ų154127.7 Ų127.772%0.7273%0.725SS**  trans69.3123.9158.7-64.7171.731.100118.5
826Q27Very low29.4Very low162 Ų162129.1 Ų129.176%0.75773%0.73SS**  74.9125.660.9-74176.9-29.700112.8
827N30.4Very low28.8Very low119 Ų119129.5 Ų129.564%0.63673%0.731SS**  cis-157.7164.535.8-99.9-31.2000115.1
828H31.1Very low28.5Very low144 Ų144128.6 Ų128.667%0.66772%0.724SS**  trans31.9124.5156.9-52.7-55.9000120.1
829F29.8Very low28.1Very low210 Ų210129.5 Ų129.592%0.92173%0.731SS**  -141.7158.560.8-110.5-96000115.1
830N25.4Very low28Very low149 Ų149131 Ų13180%0.79773%0.731SS**  trans-86.8143-178-70.5-33.6000113.5
831A28.7Very low27.6Very low87 Ų87131.4 Ų131.472%0.71973%0.725SS**  -170.3119.8121.800000112.1
832N23.8Very low27.4Very low169 Ų169134.9 Ų134.990%0.90474%0.736SS**  trans-90.6122160.3-79.7-44.4000108.8
833L26.1Very low27.1Very low142 Ų142136.4 Ų136.474%0.74374%0.739SS**  trans-158.8159.5170.8-97.4119.7000110.2A835L833-A835 HydrophobicContact CD2-CB 3.85Å; L833-A835 HydrophobicContact CG-CB 4.37Å
834P30.7Very low26.9Very low118 Ų118136 Ų13677%0.76674%0.741SS**  cis-91139.3-9.836.6-32.1000110.9
835A26.7Very low26.5Very low67 Ų67136.6 Ų136.655%0.55475%0.748SS**  65100.55800000111.3L833L833-A835 HydrophobicContact CD2-CB 3.85Å; L833-A835 HydrophobicContact CG-CB 4.37Å
836V24.3Very low26.2Very low136 Ų136135.7 Ų135.782%0.82475%0.748SS**  82.1101.669.5171.60000113
837C23.3Very low26.2Very low108 Ų108137.4 Ų137.473%0.7376%0.759SS**  trans66.7176.1141.9-147.30000119.3
838S24.2Very low25.8Very low92 Ų92136.8 Ų136.864%0.64376%0.763SS**  trans68.3115.8174.1-46.10000114.3
839S25Very low25.7Very low116 Ų116134.8 Ų134.881%0.81177%0.766SS**  cis52.580.242-59.70000114
840N26.9Very low25.6Very low135 Ų135132.1 Ų132.172%0.72276%0.761SS**  trans-152.6113.8150.8-83.6-32.7000104.9
841R24.2Very low25.5Very low187 Ų187132.6 Ų132.671%0.70676%0.762SS**  cis62.892.430.4-154.7-176.1-158.9-109.25.9112.9Q843R841-Q843 PolarHBondContact O-N 2.83Å
842L23.7Very low25.5Very low158 Ų158135 Ų13583%0.82777%0.768SS**  trans31.882.4147.5-69.2163.9000116.6
843Q25Very low25.6Very low153 Ų153133.6 Ų133.672%0.71576%0.756SS**  trans-139118.4148.3-62.1-175.7-1100104.7R841R841-Q843 PolarHBondContact O-N 2.83Å
844S24.1Very low25.7Very low99 Ų99132.1 Ų132.169%0.69276%0.755SS**  cis55.966.537.787.30000112.7
845L25.7Very low25.5Very low163 Ų163132.1 Ų132.185%0.85375%0.749SS**  trans-110.395.7151-79.6173.3000107.7M847L845-M847 PolarHBondContact O-N 3.37Å
846D23.9Very low25.7Very low135 Ų135134.2 Ų134.272%0.72276%0.759SS**  trans-64.3127.6166.7-61.3-85.2000109.7
847M26.3Very low25.7Very low199 Ų199132.5 Ų132.598%0.9875%0.753SS**  trans-102.486.9142-75-157.4-171.400107.2L845L845-M847 PolarHBondContact O-N 3.37Å
848S23.9Very low26Very low105 Ų105134.7 Ų134.773%0.73476%0.757SS**  trans-74.1134.9176.148.50000110.9
849S27.5Very low26Very low103 Ų103134.6 Ų134.672%0.7276%0.763SS**  trans-155.4128.6148.155.10000111.7
850N27.9Very low26.2Very low154 Ų154136.4 Ų136.482%0.82477%0.769SS**  trans66.468.8153.2-56.5-7000118
851I24.6Very low26.1Very low158 Ų158141.4 Ų141.481%0.8178%0.778SS**  trans-48.7136.6138.7-66.4163.9000109.9
852T27.7Very low26.4Very low139 Ų139138.4 Ų138.485%0.85379%0.785SS**  trans-145.6116.2143.7-43.70000110.1
853Q25.2Very low26.4Very low139 Ų139137.6 Ų137.665%0.6578%0.782SS**  trans-87.7166.4174.4-117.1177.317.500109.4N855Q853-N855 PolarHBondContact OE1-OD1 3.5Å
854P29.4Very low26.5Very low111 Ų111138 Ų13872%0.72179%0.788SS**  -157.8140.164.439.4-16.6000120.3
855N25.7Very low26.7Very low118 Ų118136.6 Ų136.663%0.63179%0.79SS**  53.5161.3119-52.7-22.5000124.9Q853Q853-N855 PolarHBondContact OE1-OD1 3.5Å
856S30.5Very low26.7Very low110 Ų110136.1 Ų136.177%0.76979%0.788SS**  trans76.7123.7173.370.20000116.9
857S26Very low26.8Very low100 Ų100135.4 Ų135.470%0.69979%0.788SS**  cis97.3140.211.888.50000117.5
858N27.9Very low26.8Very low154 Ų154132.5 Ų132.582%0.82478%0.775SS**  trans78.9121-175-51.3-27.8000113.1
859A26Very low26.9Very low91 Ų91134.2 Ų134.275%0.75278%0.776SS**  cis96.112324.500000115.3
860T29.2Very low26.9Very low154 Ų154136.5 Ų136.595%0.94578%0.776SS**  trans-158.3154.2150.616.60000110.9
861R23.3Very low26.8Very low240 Ų240134.9 Ų134.991%0.90677%0.771SS**  trans-100.6148.6177.4-68.4162.1148.8175.8-9.2110.9
862S29.9Very low26.9Very low123 Ų123134.7 Ų134.786%0.8677%0.767SS**  trans161.2165.2133.553.60000112.3
863N25.2Very low26.9Very low141 Ų141131.1 Ų131.175%0.75476%0.758SS**  cis-170.2152.2-47.5-156.216.5000107.5
864L26.1Very low27Very low161 Ų161132.6 Ų132.684%0.84377%0.769SS**  trans65.1154.2-176.6-65.267.7000114.6
865G28.2Very low26.9Very low71 Ų71130.2 Ų130.273%0.73277%0.765SS**  cis172.1154.7-11.800000114.8
866N26.6Very low27.1Very low152 Ų152130.6 Ų130.681%0.81377%0.767SS**  trans60.7125.3156.4-73.914.9000124
867T25.1Very low27Very low120 Ų120132.1 Ų132.174%0.73677%0.765SS**  trans84.2152.4132.252.70000123.3
868I27.5Very low27.1Very low138 Ų138134.4 Ų134.471%0.70876%0.762SS**  trans88.196.1167.7-55.7134.6000116.4
869N25.2Very low27.2Very low141 Ų141131.2 Ų131.275%0.75475%0.752SS**  38.9167.3122.4-53.3-4.5000122.7
870E27.9Very low27.2Very low152 Ų152134.2 Ų134.271%0.7176%0.756SS**  trans74.593.5169.7-65.5172-146.900113.8
871T26.3Very low27.1Very low119 Ų119130.3 Ų130.373%0.7374%0.739SS**  79.913083.352.40000115.1
872E25.3Very low27.3Very low154 Ų154125.7 Ų125.772%0.7273%0.728SS**  trans73139.2174.8-45.4-164.5140.500116.5Y1202E872-Y1202 WeakPolarHBondContact CB-OH 3.4Å; E872-Y1202 WeakPolarHBondContact OE2-CE1 3.09Å; E872-Y1202 VanDerWaalsContact OE2-CZ 3.31Å; E872-Y1202 PolarHBondContact OE2-OH 3.17Å
873G27.6Very low27.2Very low65 Ų65122.9 Ų122.967%0.6771%0.708SS**  trans111.154.2165.800000120.2
874I28.1Very low27.5Very low169 Ų169120.9 Ų120.987%0.86770%0.697SS**  trans-120.135.3166.1-40.6-177000111.6
875G28.1Very low27.8Very low62 Ų62117.1 Ų117.164%0.63968%0.677SS**SBendtrans-94.7-43.9-178.100000115.4
876D29.1Very low27.9Very low126 Ų126117.7 Ų117.767%0.67467%0.666SS**SBendtrans-99-7.2-155.8-67.4-73.7000116.7F878 S879D876-F878 VanDerWaalsContact C-N 3.25Å; D876-F878 PolarHBondContact O-N 3.01Å; D876-F878 VanDerWaalsContact O-N 3.17Å; D876-S879 WeakPolarHBondContact O-CB 3.4Å; D876-S879 PolarHBondContact O-N 3.19Å; D876-S879 PolarHBondContact O-OG 3.21Å
877I28.7Very low28Very low142 Ų142114.9 Ų114.973%0.72865%0.654SS**G310 helixtrans-65.2-23.9-169.9-66175.4000113.4S879I877-S879 VanDerWaalsContact C-N 3.29Å; I877-S879 PolarHBondContact O-N 2.97Å
878F28.6Very low28Very low147 Ų147115 Ų11565%0.64565%0.65SS**G310 helixtrans-81.33178.2-79.8-79.3000115.3D876 N880D876-F878 VanDerWaalsContact C-N 3.25Å; D876-F878 PolarHBondContact O-N 3.01Å; D876-F878 VanDerWaalsContact O-N 3.17Å; F878-N880 PolarHBondContact O-N 3.41Å
879S29Very low27.9Very low88 Ų88113.4 Ų113.462%0.61565%0.648SS**G310 helixtrans-73.2-20.8-172.654.30000116.4D876 I877D876-S879 WeakPolarHBondContact O-CB 3.4Å; D876-S879 PolarHBondContact O-N 3.19Å; D876-S879 PolarHBondContact O-OG 3.21Å; I877-S879 VanDerWaalsContact C-N 3.29Å; I877-S879 PolarHBondContact O-N 2.97Å
880N27.1Very low28Very low154 Ų154114.6 Ų114.682%0.82464%0.642SS**SBendtrans-127.25.4-171-80.6-27.8000115.8F878 Q882F878-N880 PolarHBondContact O-N 3.41Å; N880-Q882 PolarHBondContact O-N 3.32Å
881A26.1Very low27.9Very low72 Ų72112.4 Ų112.460%0.59564%0.64SS**  trans-98.675.6-173.900000113.3S883A881-S883 PolarHBondContact O-N 3.4Å
882Q28Very low27.8Very low143 Ų143112.2 Ų112.267%0.66864%0.638SS**  trans-75.578.9-172.7-170.1162.4-21.400113.8N880N880-Q882 PolarHBondContact O-N 3.32Å
883S28.1Very low27.7Very low63 Ų63115.4 Ų115.444%0.44164%0.644SS.*  trans-115.7118174.656.60000112.3A881 I885A881-S883 PolarHBondContact O-N 3.4Å; S883-I885 VanDerWaalsContact C-N 3.32Å; S883-I885 PolarHBondContact O-N 3.21Å
884D31.7Very low27.5Very low99 Ų99119.7 Ų119.753%0.52965%0.65SS.*  trans-78.182.4171.1-88.9-54.9000110.1V886 R1058D884-V886 VanDerWaalsContact C-N 3.27Å; D884-V886 PolarHBondContact O-N 2.8Å; D884-R1058 IonicContact OD1-CZ 3.86Å; D884-R1058 IonicContact OD1-NE 2.77Å; D884-R1058 PolarHBondContact OD1-NE 2.96Å; D884-R1058 IonicContact OD1-NH2 2.69Å; D884-R1058 PolarHBondContact OD1-NH2 2.89Å; D884-R1058 IonicContact OD2-NH2 2.75Å; D884-R1058 PolarHBondContact OD2-NH2 2.85Å; D884-R1058 VanDerWaalsContact OD2-NH2 3.17Å
885I31.8Very low27.5Very low82 Ų82119.1 Ų119.142%0.42164%0.644SS.*  trans-73.580.3177.5-55.2154.9000109.5A724 S883 V887A724-I885 HydrophobicContact CB-CD1 3.46Å; A724-I885 VanDerWaalsContact CB-CD1 3.46Å; A724-I885 HydrophobicContact CB-CG1 3.72Å; A724-I885 HydrophobicContact CB-CG2 4.49Å; S883-I885 VanDerWaalsContact C-N 3.32Å; S883-I885 PolarHBondContact O-N 3.21Å; I885-V887 HydrophobicContact CG2-CG2 3.91Å
886V30.1Very low27.4Very low83 Ų83123.8 Ų123.850%0.50365%0.649SS.*  trans-93.290.4168.1-169.50000108.4D884 L888D884-V886 VanDerWaalsContact C-N 3.27Å; D884-V886 PolarHBondContact O-N 2.8Å; V886-L888 HydrophobicContact CG1-CD2 3.91Å; V886-L888 HydrophobicContact CG1-CG 3.94Å; V886-L888 PolarHBondContact O-N 3.06Å
887V27.7Very low27.1Very low93 Ų93126.4 Ų126.456%0.56466%0.663SS**  trans-69105172.6-175.60000108.6I885 P889I885-V887 HydrophobicContact CG2-CG2 3.91Å; V887-P889 WeakPolarHBondContact O-CD 3.26Å
888L25.4Very low27.1Very low124 Ų124123.7 Ų123.765%0.64966%0.662SS**  trans-102.8109175-69.2178.8000110.9V886 R890V886-L888 HydrophobicContact CG1-CD2 3.91Å; V886-L888 HydrophobicContact CG1-CG 3.94Å; V886-L888 PolarHBondContact O-N 3.06Å; L888-R890 PolarHBondContact O-N 2.92Å
889P26.9Very low27Very low103 Ų103123 Ų12367%0.66968%0.675SS**  trans-68.5115159.4-14.829.9000109.8V887V887-P889 WeakPolarHBondContact O-CD 3.26Å
890R25.5Very low27Very low167 Ų167122.5 Ų122.563%0.6368%0.684SS**  trans-55.9144.2145.3-78.3178.2175.5173.2-1.5106.9N738 L888N738-R890 PolarHBondContact OD1-NH1 3.11Å; N738-R890 VanDerWaalsContact OD1-NH1 3.15Å; L888-R890 PolarHBondContact O-N 2.92Å
891T26.2Very low26.9Very low106 Ų106120.1 Ų120.165%0.6568%0.68SS**  cis-158.1169.324.4-11.60000111.7
892T24.6Very low27.1Very low114 Ų114126 Ų12670%0.69969%0.694SS**  trans3125.515551.30000119.7
893W24.2Very low27.1Very low222 Ų222124.7 Ų124.784%0.84169%0.692SS**  trans-114.587.8144.9-74.296.5000109
894L23.3Very low27Very low154 Ų154130.3 Ų130.381%0.80671%0.711SS**  trans-89.5128.3142.1-78.4168.3000105.2
895H28.1Very low26.8Very low158 Ų158129.8 Ų129.873%0.73172%0.715SS**  trans-131113.4157.1-149-61.7000106.3
896E25.7Very low26.8Very low160 Ų160132.2 Ų132.275%0.74873%0.729SS**  trans-75.8148.6168.4-65169.6122.100108.1A898E896-A898 PolarHBondContact O-N 3Å; E896-A898 VanDerWaalsContact O-N 3.14Å
897D23.3Very low26.6Very low180 Ų180134.9 Ų134.996%0.96374%0.741SS**  trans-73.299.9165.4-73.3-56000108.1
898A28.5Very low26.7Very low86 Ų86138 Ų13871%0.71175%0.749SS**  trans-127.9126.9178.500000110.5E896E896-A898 PolarHBondContact O-N 3Å; E896-A898 VanDerWaalsContact O-N 3.14Å
899S26Very low26.8Very low131 Ų131138.9 Ų138.992%0.91675%0.754SS**  trans-77154.2-178.548.10000112.8
900G28Very low26.8Very low79 Ų79139.2 Ų139.281%0.81476%0.757SS**  trans-159.393175.200000111.8
901S24.9Very low27Very low104 Ų104136.4 Ų136.473%0.72776%0.763SS**  trans-75.9140.917352.10000111.6
902H30.9Very low27.3Very low195 Ų195136.1 Ų136.190%0.90377%0.766SS**  trans-125.2127.5156.1-119.8-74.6000109.8
903N28Very low27.7Very low115 Ų115137.3 Ų137.362%0.61577%0.768SS**  trans-91157179.9-62.2-27.9000110.9
904Q26.2Very low28.1Very low181 Ų181132.8 Ų132.885%0.84676%0.76SS**  trans61.8150.5141.5-73.1157.9-26.900117.3
905S28Very low28.5Very low88 Ų88132.9 Ų132.962%0.61576%0.756SS**  cis-149.6179.713.346.30000111.8
906D31.9Very low28.5Very low134 Ų134131 Ų13172%0.71776%0.756SS**  trans70.5161.3154.3-49.9-45000120.4
907N26.5Very low28.7Very low139 Ų139129.8 Ų129.874%0.74376%0.755SS**  -168.1167.6-59-122.3-25.2000109.4
908E29.7Very low29Very low159 Ų159126 Ų12674%0.74374%0.739SS**  trans64.9111.2153.4-72.2-169158.900123.4
909L27.6Very low28.9Very low142 Ų142128.7 Ų128.774%0.74374%0.741SS**  98.6148.8114.4-77.5171.7000124.3
910C26.8Very low28.9Very low109 Ų109127.8 Ų127.874%0.73673%0.734SS**  trans64.7118.3165-63.60000119.3
911S29Very low28.8Very low108 Ų108132.4 Ų132.476%0.75574%0.739SS**  cis102.31079.588.20000118.3
912S33.5Very low28.9Very low101 Ų101130.5 Ų130.571%0.70674%0.737SS**  trans-173.9111.4149.154.80000107.9
913N31.2Very low28.7Very low138 Ų138128.3 Ų128.374%0.73873%0.731SS**  7613794-66.513.6000112.4
914D33.6Very low28.7Very low127 Ų127129.2 Ų129.268%0.67974%0.736SS**  cis-124.6146.216.3-79.2-52.1000111.6
915Q31.1Very low28.7Very low157 Ų157126.8 Ų126.873%0.73473%0.728SS**  53.2135.584.7-57.5-169.37.300114.4
916T29.3Very low28.8Very low119 Ų119129 Ų12973%0.7373%0.733SS**  cis-172.5157.90.719.60000107.6
917D29.2Very low28.6Very low134 Ų134128.3 Ų128.372%0.71773%0.734SS**  cis-167.4178.3-15.4-155.2-8000110.7
918T28.9Very low28.9Very low101 Ų101128.1 Ų128.162%0.6274%0.738SS**  trans66.9117.6155.257.60000122.2
919N27Very low29.2Very low142 Ų142124.2 Ų124.276%0.75973%0.732SS**  61.4125.6124.5-61.7-28.1000123.5
920S26.9Very low29.5Very low111 Ų111124 Ų12478%0.77673%0.732SS**  90.6150.7128.676.10000121.5
921L25.1Very low29.9Very low176 Ų176123.9 Ų123.992%0.92173%0.728SS**  trans-22137.2178.9-65.974.1000118.3
922G26.9Very low30.1Very low65 Ų65125.3 Ų125.367%0.6773%0.727SS**  trans146.8113.3137.400000117.4
923N26.2Very low30.1Very low148 Ų148125.6 Ų125.679%0.79173%0.725SS**  trans49.9129.6132.9-63.3-8.5000122.1
924N27.6Very low30.4Very low135 Ų135125.8 Ų125.872%0.72273%0.725SS**  trans88.6117.4134.4-67.6-8.2000122.1
925L27.4Very low30.5Very low129 Ų129125.1 Ų125.168%0.67572%0.721SS**  trans64.1121.9139.4-79.484.9000120.7
926N28.9Very low30.7Very low134 Ų134123.6 Ų123.672%0.71772%0.718SS**  45.8150.2113.8-43.3-7.4000119.1
927T29.4Very low31.1Very low121 Ų121124.7 Ų124.774%0.74272%0.719SS**  cis-172.7179.636.1-28.10000110.3
928V31.5Very low31.5Very low135 Ų135122.9 Ų122.982%0.81871%0.713SS**  trans75.4135.5164.5-167.30000113.9
929A35.4Very low31.7Very low76 Ų76123.5 Ų123.563%0.62872%0.717SS**  cis-148.1166.20.400000107.4
930N34.2Very low32Very low137 Ų137122.9 Ų122.973%0.73371%0.713SS**  cis-172.6170.6-6.9-97.90.7000104.4
931T35Very low32.3Very low107 Ų107123.6 Ų123.666%0.65671%0.709SS**  cis-172153.5-9.629.20000102.7
932N34.1Very low32.7Very low139 Ų139123.2 Ų123.274%0.74370%0.701SS**  cis-163.5-177.119.7-105.9-2.5000104.7
933T34Very low32.9Very low106 Ų106126.8 Ų126.865%0.6571%0.705SS**  cis-179.8165-9.734.90000103.7
934I37.3Very low33.1Very low143 Ų143124.2 Ų124.273%0.73370%0.699SS**  cis-170145.8-0.4-104.7165.2000102.2
935D35Very low33.2Very low113 Ų113124.4 Ų124.460%0.60470%0.7SS**  cis-148.6157.69.7-120.432000108.4
936N36Very low33.2Very low125 Ų125125 Ų12567%0.66870%0.703SS**  58.3136.786.1-52.6-16.4000114.7
937D37Very low33Very low141 Ų141125.3 Ų125.375%0.75470%0.703SS**  cis-169-173.8-1.1-137.8-5.8000110.9
938V37.3Very low32.8Very low97 Ų97125.6 Ų125.659%0.58870%0.7SS**  cis-156.8125.5-5.674.50000112.1
939T33.4Very low32.7Very low114 Ų114126.9 Ų126.970%0.69970%0.697SS**  trans51.9176.3144.368.50000123
940N34Very low32.1Very low128 Ų128134.1 Ų134.168%0.68471%0.708SS**  cis-157.2135.3-21.1-109.8-24.5000108.5
941N32Very low31.7Very low127 Ų127131.9 Ų131.968%0.67971%0.709SS**  75.812084.6-95-42.2000119.7
942H35Very low31.2Very low167 Ų167135.9 Ų135.977%0.77372%0.717SS**  170.1129.8120.1-89.4-46.7000117.1
943N30.5Very low30.7Very low141 Ų141135.9 Ų135.975%0.75472%0.717SS**  trans16152.1131.1-64.4-2.7000121.9
944S31Very low30.3Very low93 Ų93142.1 Ų142.165%0.6573%0.728SS**  cis-175.8169.1-3.749.60000113.4
945N28.8Very low29.7Very low140 Ų140139.7 Ų139.775%0.74972%0.724SS**  trans86.9134.5147.1-81.4-11.8000124.7
946I27.1Very low29.4Very low142 Ų142139.5 Ų139.573%0.72873%0.732SS**  trans95.4112.8136.6-77.7168.5000122.8
947L25.3Very low28.9Very low140 Ų140139.7 Ų139.773%0.73374%0.743SS**  trans58.5135.4150.3-88.776.1000125.1
948N25.8Very low28.5Very low126 Ų126137.2 Ų137.267%0.67474%0.742SS**  trans92.1135139.1-77.7-11.6000123.6
949H28.2Very low28.2Very low162 Ų162138.2 Ų138.275%0.7575%0.752SS**  trans71105.2154.8-64.7-42.6000122.7
950R24.2Very low28Very low229 Ų229144.6 Ų144.686%0.86476%0.763SS**  8478.9111.9-157.9179.3-165.2159.13.3119.8
951A24.1Very low27.8Very low90 Ų90140.8 Ų140.874%0.74475%0.754SS**  77.7139.512800000122.2
952K24.4Very low27.8Very low190 Ų190140.5 Ų140.583%0.82675%0.752SS**  trans82.4137.9163.3-61.7-175.7177-1790119.2
953N24.4Very low27.6Very low140 Ų140140.3 Ų140.375%0.74975%0.752SS**  trans79.2131.6157.1-61.2-20.1000120.3
954R25Very low27.5Very low236 Ų236141.1 Ų141.189%0.89175%0.751SS**  trans69.7154.2154.9-67.9173.3-175.8-173.80.4116.7
955S26.2Very low27.4Very low92 Ų92139.6 Ų139.664%0.64374%0.74SS**  cis-168.4160.4-19.549.60000112.3
956S27.7Very low27.7Very low110 Ų110136.1 Ų136.177%0.76972%0.724SS**  trans45104.5143.463.20000120.6
957S26.1Very low27.7Very low128 Ų128138.4 Ų138.490%0.89572%0.723SS**  trans-150.426.7167.856.10000116
958A27.5Very low28Very low90 Ų90142.5 Ų142.574%0.74473%0.729SS**SBendtrans-106.6-31-176.500000116.1R960A958-R960 PolarHBondContact O-N 2.78Å
959C31.2Very low28.3Very low118 Ų118144.6 Ų144.680%0.79773%0.729SS**THydrogen-bonded Turntrans-83.7-3.6-162.8-54.70000116.5
960R30Very low28.3Very low248 Ų248141.5 Ų141.594%0.93672%0.717SS**THydrogen-bonded Turntrans-88.9-3.7-175.1-73.5-170.9174.6-173-1.8115.7A958A958-R960 PolarHBondContact O-N 2.78Å
961G29.3Very low28.4Very low48 Ų48137.3 Ų137.350%0.49571%0.712SS.*SBendtrans-83.9-24.3-17800000116.2Q963 Q964G961-Q963 PolarHBondContact O-N 3.44Å; G961-Q964 PolarHBondContact O-N 3.41Å
962L32.3Very low28.7Very low120 Ų120141 Ų14163%0.62871%0.714SS**Hα-helixtrans-73.3-22.5-163.9-77.2165.3000115.2Q964 S965 V966L962-Q964 PolarHBondContact O-N 3.04Å; L962-S965 PolarHBondContact O-OG 3.39Å; L962-V966 WeakPolarHBondContact O-CG2 3.47Å
963Q31.5Very low28.8Very low164 Ų164136.6 Ų136.677%0.76671%0.708SS**Hα-helixtrans-70.5-13175.5-80.8-170.2-10.900114.4G961G961-Q963 PolarHBondContact O-N 3.44Å
964Q28.6Very low29Very low157 Ų157137.1 Ų137.173%0.73471%0.709SS**Hα-helixtrans-106.3-27.2-179.6-68.8-177.6-10.600113.3G961 L962G961-Q964 PolarHBondContact O-N 3.41Å; L962-Q964 PolarHBondContact O-N 3.04Å
965S28.2Very low29Very low61 Ų61133 Ų13343%0.42770%0.704SS.*Hα-helixtrans-73.6-30.2177.656.50000113.8L962L962-S965 PolarHBondContact O-OG 3.39Å
966V34.3Very low28.9Very low67 Ų67134.4 Ų134.441%0.40671%0.713SS.*G310 helixtrans-69-36.7-178.6177.60000111.9L962 R968 Y969L962-V966 WeakPolarHBondContact O-CG2 3.47Å; V966-R968 PolarHBondContact O-N 3.18Å; V966-Y969 PolarHBondContact O-N 2.88Å
967R28.3Very low28.9Very low191 Ų191136.4 Ų136.472%0.72172%0.715SS**G310 helixtrans-62.2-4.8-179.4-57.3-168.2-166.6-161.72.9115.2
968R30.7Very low29.2Very low226 Ų226138.1 Ų138.185%0.85371%0.714SS**G310 helixtrans-98.2-1.4173.3-67.6-171.1178.7-176.3-0.2114V966V966-R968 PolarHBondContact O-N 3.18Å
969Y31.4Very low29.3Very low170 Ų170140.9 Ų140.967%0.66772%0.716SS**SBendtrans-103.1-6177-88.6-80.6000114.5V966 I1011V966-Y969 PolarHBondContact O-N 2.88Å; Y969-I1011 HydrophobicContact CE1-CD1 4.12Å
970D29.6Very low29.3Very low96 Ų96142.6 Ų142.651%0.51372%0.718SS.*SBendtrans-98.61-175-66.7-53.6000114.7
971N26.7Very low29.2Very low142 Ų142135.4 Ų135.476%0.75971%0.705SS**SBendtrans-98.9-3.3-170-86.712.9000116.7
972E28.4Very low29.3Very low167 Ų167140 Ų14078%0.7872%0.717SS**SBendtrans-115.939-177.8-66.9-171.3155.200113.5H1008E972-H1008 IonicContact OE1-CE1 3.45Å
973S27.7Very low29Very low98 Ų98141 Ų14169%0.68572%0.723SS**SBendtrans-156.49.7168.256.90000117
974I28.4Very low28.9Very low150 Ų150138.5 Ų138.577%0.76972%0.719SS**  trans-139.891.3179.1-49.9178.1000110.4
975N24.9Very low28.8Very low150 Ų150137.8 Ų137.880%0.80272%0.72SS**  trans-149.860.7167.5-163.411.8000113.2
976C25.1Very low28.8Very low121 Ų121141 Ų14182%0.81874%0.737SS**  trans-140.773.8170-73.10000110
977N27.4Very low28.3Very low152 Ų152143 Ų14381%0.81375%0.753SS**  trans-174.886.9157.7-99-23000110
978N31.8Very low28.1Very low164 Ų164143.2 Ų143.288%0.87776%0.759SS**  trans-95.4122.2162-107.5-13.1000108.2
979N28.6Very low27.9Very low148 Ų148137.5 Ų137.579%0.79175%0.754SS**  trans-72.7132.5179.4-62.4-58.8000110.7
980N32.8Very low27.6Very low155 Ų155134.7 Ų134.783%0.82976%0.759SS**  trans-154.4104.3144.4-101.5-30.3000110.8
981S28.1Very low27.5Very low97 Ų97134.7 Ų134.768%0.67877%0.767SS**  trans39153.9135.359.10000123
982I30.6Very low27.5Very low145 Ų145136 Ų13674%0.74477%0.768SS**  trans88.591.8164.4-49.4-178.9000117
983N27Very low27.4Very low140 Ų140133.7 Ų133.775%0.74976%0.761SS**  trans69.7123.3135.7-64.9-4.5000124
984T28.2Very low27.4Very low111 Ų111135.1 Ų135.168%0.68176%0.761SS**  trans71.3102.4133.956.20000122.1
985N26.6Very low27.4Very low142 Ų142134 Ų13476%0.75976%0.757SS**  89.9146.4118.8-64.7-10.9000122.5
986T28.1Very low27.4Very low129 Ų129133 Ų13379%0.79176%0.757SS**  trans75.693.3153.937.90000121.9
987C23.9Very low27.5Very low109 Ų109133.6 Ų133.674%0.73675%0.75SS**  71113.1118.6-63.20000122.8
988K24.6Very low27.4Very low195 Ų195134 Ų13485%0.84875%0.751SS**  26.8127.6121.5-56.6176.6178.91790116.9
989S25.6Very low27.3Very low107 Ų107133.2 Ų133.275%0.74875%0.747SS**  171.4167.674.445.40000112
990S26.6Very low27.1Very low111 Ų111131.7 Ų131.778%0.77674%0.744SS**  trans59160.7166.260.60000119
991S27Very low27Very low96 Ų96132.2 Ų132.267%0.67175%0.745SS**  cis-169.3159.2-37.355.90000110.5
992Q27.1Very low27.1Very low168 Ų168133.2 Ų133.279%0.78575%0.747SS**  trans74.2150.7156.5-77.6-179.7-19.800120.5
993N26.3Very low26.9Very low119 Ų119131.1 Ų131.164%0.63675%0.745SS**  trans77.997152.2-62.2-7.3000122.2
994N26.8Very low27.1Very low128 Ų128132.1 Ų132.168%0.68475%0.75SS**  90.8133.9113.5-63.4-7000122.6
995N27.6Very low27Very low127 Ų127134.5 Ų134.568%0.67976%0.759SS**  trans74.5103.2141.3-61.50.5000122.1
996T25.3Very low27.1Very low130 Ų130133.7 Ų133.780%0.79876%0.759SS**  31.6100.8123.8580000121
997I27.7Very low27.1Very low132 Ų132134.7 Ų134.768%0.67777%0.766SS**  trans-143.3137.6144.7-70.799.9000104.9D999I997-D999 WeakPolarHBondContact CG2-OD1 3.31Å
998L25Very low27.2Very low160 Ų160135.9 Ų135.984%0.83876%0.76SS**  cis81.539.517.4-151.297.1000117.7T1000L998-T1000 PolarHBondContact O-N 3.08Å
999D29.3Very low27.3Very low148 Ų148136.3 Ų136.379%0.79176%0.762SS**  trans-78.8113.5174.4-74.3-44.1000113.3I997I997-D999 WeakPolarHBondContact CG2-OD1 3.31Å
1000T25.2Very low27.3Very low117 Ų117139.2 Ų139.272%0.71876%0.763SS**  trans-89.3109.9168.4-63.20000109.1L998 T1002L998-T1000 PolarHBondContact O-N 3.08Å; T1000-T1002 PolarHBondContact O-N 2.74Å; T1000-T1002 VanDerWaalsContact O-N 3.11Å
1001I31.5Very low27.5Very low165 Ų165138.9 Ų138.985%0.84675%0.752SS**  trans-79.497177-58179.9000109.8
1002T29.2Very low27.6Very low119 Ų119141.4 Ų141.473%0.7376%0.756SS**  trans-66.1145.3164.438.10000111.6T1000T1000-T1002 PolarHBondContact O-N 2.74Å; T1000-T1002 VanDerWaalsContact O-N 3.11Å
1003S26.6Very low27.9Very low100 Ų100140.9 Ų140.970%0.69975%0.747SS**  trans-61.1139.6-174.354.60000114.9
1004N30.6Very low28.2Very low162 Ų162137.6 Ų137.687%0.86673%0.732SS**  trans-135.2144.4148.6-98.1-38.8000109.5T1006N1004-T1006 PolarHBondContact O-N 2.88Å
1005N26.1Very low28.8Very low160 Ų160138.2 Ų138.286%0.85673%0.734SS**  trans-86103.8-163-70.8-40.6000113.6
1006T30Very low29.9Very low125 Ų125133.2 Ų133.277%0.76771%0.707SS**  trans-137.6144.7154.653.60000110.6N1004 H1008N1004-T1006 PolarHBondContact O-N 2.88Å; T1006-H1008 VanDerWaalsContact C-N 3.34Å; T1006-H1008 PolarHBondContact O-N 2.81Å
1007T26.4Very low30.6Very low151 Ų151133 Ų13393%0.92670%0.701SS**  trans-83.964.8-16752.50000113.7
1008H26.7Very low31.3Very low133 Ų133127.7 Ų127.762%0.61668%0.675SS**  trans-90.7137.4166.3-92.7-112.7000111.7E972 T1006 H1010E972-H1008 IonicContact OE1-CE1 3.45Å; T1006-H1008 VanDerWaalsContact C-N 3.34Å; T1006-H1008 PolarHBondContact O-N 2.81Å; H1008-H1010 VanDerWaalsContact C-N 3.33Å; H1008-H1010 PolarHBondContact O-N 2.8Å
1009K26.1Very low32.4Very low205 Ų205123.1 Ų123.189%0.89165%0.649SS**  trans-71.287.8170.2-80.8-175.7174.9177.30109.7I1011K1009-I1011 PolarHBondContact O-N 2.7Å
1010H25.4Very low33.4Very low168 Ų168123.3 Ų123.378%0.77864%0.643SS**  trans-61.7104.1173.4-119.6-92.1000110.1H1008 I1012H1008-H1010 VanDerWaalsContact C-N 3.33Å; H1008-H1010 PolarHBondContact O-N 2.8Å; H1010-I1012 VanDerWaalsContact C-N 3.29Å; H1010-I1012 PolarHBondContact O-N 3.07Å
1011I31.3Very low34.8Very low103 Ų103121.3 Ų121.353%0.52863%0.625SS.*  trans-74.189.6171.8-58.3177.7000107Y969 K1009 R1013Y969-I1011 HydrophobicContact CE1-CD1 4.12Å; K1009-I1011 PolarHBondContact O-N 2.7Å; I1011-R1013 HydrophobicContact CG2-CG 4.28Å; I1011-R1013 PolarHBondContact O-N 2.77Å
1012I29.2Very low36.1Very low150 Ų150113.8 Ų113.877%0.76959%0.587SS**  trans-63.2100.8172.8-59.5175.7000107.5H1010H1010-I1012 VanDerWaalsContact C-N 3.29Å; H1010-I1012 PolarHBondContact O-N 3.07Å
1013R32.9Very low38.2Very low156 Ų156110.4 Ų110.459%0.58957%0.565SS**  trans-80.8123.2175.7-57.9-174-172.1-156.42.7107.8I1011 I1015I1011-R1013 HydrophobicContact CG2-CG 4.28Å; I1011-R1013 PolarHBondContact O-N 2.77Å; R1013-I1015 PolarHBondContact O-N 2.66Å; R1013-I1015 VanDerWaalsContact O-N 3.16Å
1014P33.6Very low40.9Very low51 Ų51107.3 Ų107.333%0.33154%0.541SS..  trans-63.2119.9173.125.9-32.6000108.9L627 M657 I1016L627-P1014 HydrophobicContact CD1-CB 4.03Å; L627-P1014 HydrophobicContact CD1-CG 4.3Å; L627-P1014 HydrophobicContact CD2-CG 4.28Å; M657-P1014 HydrophobicContact CE-CB 3.96Å; P1014-I1016 VanDerWaalsContact C-N 3.3Å; P1014-I1016 HydrophobicContact CB-CG1 4.49Å; P1014-I1016 PolarHBondContact O-N 2.97Å
1015I38.8Very low43.5Very low141 Ų141100.1 Ų100.172%0.72350%0.503SS*.  trans-74.190.3173.2-58.2177.5000107R1013 D1017R1013-I1015 PolarHBondContact O-N 2.66Å; R1013-I1015 VanDerWaalsContact O-N 3.16Å; I1015-D1017 PolarHBondContact O-N 2.75Å
1016I50.3Low46.1Very low22 Ų2292.7 Ų92.711%0.11346%0.464CS..  trans-79.6103.6170.7-51.5-170.4000107.2R528 L551 T602 M657 P1014 V1018R528-I1016 PolarHBondContact NH1-O 3.35Å; L551-I1016 HydrophobicContact CB-CD1 3.94Å; L551-I1016 HydrophobicContact CD1-CD1 4.1Å; L551-I1016 HydrophobicContact CD2-CD1 3.92Å; L551-I1016 HydrophobicContact CG-CD1 4.2Å; T602-I1016 HydrophobicContact CG2-CD1 3.63Å; M657-I1016 HydrophobicContact CE-CD1 4.3Å; M657-I1016 HydrophobicContact CE-CG1 3.79Å; M657-I1016 HydrophobicContact SD-CD1 4.09Å; M657-I1016 HydrophobicContact SD-CG1 3.91Å; M657-I1016 HydrophobicContact SD-CG2 4.36Å; P1014-I1016 VanDerWaalsContact C-N 3.3Å; P1014-I1016 HydrophobicContact CB-CG1 4.49Å; P1014-I1016 PolarHBondContact O-N 2.97Å; I1016-V1018 PolarHBondContact O-N 3.41Å
1017D41.4Very low48.8Very low124 Ų12487.6 Ų87.666%0.66343%0.433SS*.  trans-69.196.3170.4-85.2-37.3000110.4I1015 H1019I1015-D1017 PolarHBondContact O-N 2.75Å; D1017-H1019 VanDerWaalsContact C-N 3.31Å; D1017-H1019 PolarHBondContact O-N 3.25Å; D1017-H1019 PolarHBondContact O-ND1 2.75Å
1018V42.7Very low51.6Low22 Ų2282.1 Ų82.113%0.13340%0.396CS..  trans-60.498.9166.2-176.40000106.6Y515 R528 I1016 K1020Y515-V1018 HydrophobicContact CD1-CG1 4.21Å; Y515-V1018 HydrophobicContact CE1-CG1 3.52Å; Y515-V1018 HydrophobicContact CE1-CG2 4.36Å; Y515-V1018 WeakPolarHBondContact OH-CG2 3.44Å; R528-V1018 HydrophobicContact CG-CG2 4.27Å; I1016-V1018 PolarHBondContact O-N 3.41Å; V1018-K1020 PolarHBondContact O-N 2.98Å; V1018-K1020 VanDerWaalsContact O-N 3.14Å
1019H47.4Very low54Low64 Ų6477 Ų7730%0.29638%0.379SS..  trans-49.8125.2-179.8-6734.5000108.2R660 D1017 H1021R660-H1019 PolarHBondContact NH2-CD2 3.34Å; R660-H1019 PolarHBondContact NH2-NE2 3.01Å; R660-H1019 VanDerWaalsContact NH2-NE2 3.16Å; D1017-H1019 VanDerWaalsContact C-N 3.31Å; D1017-H1019 PolarHBondContact O-N 3.25Å; D1017-H1019 PolarHBondContact O-ND1 2.75Å; H1019-H1021 PolarHBondContact O-N 2.87Å
1020K49.5Very low55.7Low152 Ų15275.2 Ų75.266%0.66137%0.374SS*.  trans-53.5116.6169.1-68.8-175177.3-175.10106.3V1018 A1022 N1023V1018-K1020 PolarHBondContact O-N 2.98Å; V1018-K1020 VanDerWaalsContact O-N 3.14Å; K1020-A1022 HydrophobicContact CB-CB 4.2Å; K1020-A1022 WeakPolarHBondContact O-CA 3.5Å; K1020-A1022 WeakPolarHBondContact O-CB 3.48Å; K1020-A1022 PolarHBondContact O-N 3.1Å; K1020-N1023 PolarHBondContact O-N 2.89Å; K1020-N1023 VanDerWaalsContact O-N 3.16Å
1021H54.4Low57.3Low74 Ų7473.9 Ų73.934%0.34336%0.362SS..G310 helixtrans-55-25.8-164.2-70.9-99.4000112.6H1019 N1023 N1024H1019-H1021 PolarHBondContact O-N 2.87Å; H1021-N1023 PolarHBondContact O-N 2.84Å; H1021-N1024 PolarHBondContact O-N 3.1Å
1022A59.1Low58.6Low7 Ų770.4 Ų70.46%0.05834%0.343CS..G310 helixtrans-16.8-49.1157.100000117.7T262 L263 K1020 S1072 F1073T262-A1022 WeakPolarHBondContact O-CB 3.49Å; L263-A1022 HydrophobicContact CD2-CB 3.93Å; K1020-A1022 HydrophobicContact CB-CB 4.2Å; K1020-A1022 WeakPolarHBondContact O-CA 3.5Å; K1020-A1022 WeakPolarHBondContact O-CB 3.48Å; K1020-A1022 PolarHBondContact O-N 3.1Å; A1022-S1072 CarbonylContact O-C 3.49Å; A1022-S1072 WeakPolarHBondContact O-CA 3.38Å; A1022-S1072 VanDerWaalsContact O-CB 3.27Å; A1022-S1072 WeakPolarHBondContact O-CB 3.44Å; A1022-F1073 PolarHBondContact O-N 2.86Å; A1022-F1073 VanDerWaalsContact O-O 3.13Å
1023N74.2Confident60.4Low48 Ų4866.4 Ų66.426%0.25732%0.324SS..G310 helixtrans-136.638.8-173.8-67.7-90.4000111.2K1020 H1021 P1025 S1071 F1073K1020-N1023 PolarHBondContact O-N 2.89Å; K1020-N1023 VanDerWaalsContact O-N 3.16Å; H1021-N1023 PolarHBondContact O-N 2.84Å; N1023-P1025 WeakPolarHBondContact O-CD 3.49Å; N1023-S1071 PolarHBondContact ND2-O 3.43Å; N1023-F1073 HydrophobicContact CB-CD1 4.42Å; N1023-F1073 HydrophobicContact CB-CE1 3.83Å; N1023-F1073 HydrophobicContact CB-CZ 4.4Å; N1023-F1073 WeakPolarHBondContact OD1-CD1 3.38Å
1024N81.8Confident62.7Low36 Ų3660.1 Ų60.119%0.19330%0.302CS..  trans-66.7116.3175.8174-1.5000110.2R660 H1021 G1026 Y1028 F1073R660-N1024 PolarHBondContact NH1-OD1 2.93Å; R660-N1024 PolarHBondContact NH2-OD1 3.11Å; H1021-N1024 PolarHBondContact O-N 3.1Å; N1024-G1026 PolarHBondContact O-N 3.35Å; N1024-G1026 VanDerWaalsContact O-N 3.13Å; N1024-G1026 PolarHBondContact OD1-N 2.99Å; N1024-Y1028 VanDerWaalsContact O-CE2 3.25Å; N1024-Y1028 WeakPolarHBondContact O-CE2 3.1Å; N1024-Y1028 PolarHBondContact O-OH 3.35Å; N1024-F1073 WeakPolarHBondContact O-CE2 3.31Å
1025P85.1Confident65.3Low11 Ų1158.1 Ų58.17%0.07129%0.289CS..  trans-71.9-3.9-177.625.7-33.5000115.3M704 N1023 F1037 V1038M704-P1025 HydrophobicContact CE-CB 4.16Å; M704-P1025 HydrophobicContact CE-CG 4.15Å; N1023-P1025 WeakPolarHBondContact O-CD 3.49Å; P1025-F1037 CarbonylContact O-C 3.53Å; P1025-F1037 WeakPolarHBondContact O-CA 3.27Å; P1025-F1037 WeakPolarHBondContact O-CB 3.38Å; P1025-F1037 WeakPolarHBondContact O-CD1 3.38Å; P1025-V1038 VanDerWaalsContact CA-O 3.3Å; P1025-V1038 WeakPolarHBondContact CA-O 3.17Å; P1025-V1038 VanDerWaalsContact CB-O 3.26Å; P1025-V1038 WeakPolarHBondContact CB-O 3.32Å; P1025-V1038 PolarHBondContact O-N 3.28Å
1026G82Confident67.7Low4 Ų451.5 Ų51.54%0.04126%0.255CS..  trans102.9-153.2178.700000114.5R660 N1024 Y1028R660-G1026 WeakPolarHBondContact CD-O 3.39Å; R660-G1026 PolarHBondContact NH1-O 2.96Å; N1024-G1026 PolarHBondContact O-N 3.35Å; N1024-G1026 VanDerWaalsContact O-N 3.13Å; N1024-G1026 PolarHBondContact OD1-N 2.99Å; G1026-Y1028 VanDerWaalsContact CA-CD2 3.49Å
1027P87.1Confident69.7Low18 Ų1850.4 Ų50.412%0.11725%0.25CC..  cis-79.2153.412.333.1-33.7000112.8V662 I669 L1035 V1036 F1037 A1053V662-P1027 HydrophobicContact CB-CG 4.05Å; V662-P1027 HydrophobicContact CG1-CG 4.44Å; V662-P1027 HydrophobicContact CG2-CG 3.73Å; I669-P1027 HydrophobicContact CD1-CG 4.47Å; I669-P1027 HydrophobicContact CG2-CG 4.35Å; P1027-L1035 HydrophobicContact CB-CB 4.3Å; P1027-L1035 HydrophobicContact CB-CD2 4.35Å; P1027-V1036 CarbonylContact C-O 3.56Å; P1027-V1036 VanDerWaalsContact CA-O 3.25Å; P1027-V1036 WeakPolarHBondContact CA-O 3.39Å; P1027-F1037 HydrophobicContact CB-CD1 4.03Å; P1027-F1037 HydrophobicContact CB-CD2 4.45Å; P1027-F1037 HydrophobicContact CB-CE1 3.77Å; P1027-F1037 HydrophobicContact CB-CE2 4.17Å; P1027-F1037 HydrophobicContact CB-CG 4.38Å; P1027-F1037 HydrophobicContact CB-CZ 3.84Å; P1027-F1037 VanDerWaalsContact CD-CE1 3.42Å; P1027-F1037 HydrophobicContact CG-CE1 4.01Å; P1027-F1037 HydrophobicContact CG-CZ 3.99Å; P1027-F1037 VanDerWaalsContact N-CE1 3.34Å; P1027-A1053 HydrophobicContact CB-CB 3.79Å
1028Y85.4Confident72.1Confident35 Ų3544.5 Ų44.514%0.13722%0.218CC..BIsolated β-bridgetrans-118143-174.6-72.2-80.6000112.2N1024 G1026 L1035 V1036 V1038 V1075N1024-Y1028 VanDerWaalsContact O-CE2 3.25Å; N1024-Y1028 WeakPolarHBondContact O-CE2 3.1Å; N1024-Y1028 PolarHBondContact O-OH 3.35Å; G1026-Y1028 VanDerWaalsContact CA-CD2 3.49Å; Y1028-L1035 CarbonylContact O-C 3.56Å; Y1028-L1035 WeakPolarHBondContact O-CA 3.35Å; Y1028-V1036 PolarHBondContact N-O 3.35Å; Y1028-V1036 PolarHBondContact O-N 3.31Å; Y1028-V1038 HydrophobicContact CD2-CG2 4.4Å; Y1028-V1075 HydrophobicContact CD1-CB 3.68Å; Y1028-V1075 HydrophobicContact CD1-CG2 4Å; Y1028-V1075 HydrophobicContact CD2-CB 4.12Å; Y1028-V1075 HydrophobicContact CD2-CG2 3.52Å; Y1028-V1075 HydrophobicContact CE1-CB 4.09Å; Y1028-V1075 HydrophobicContact CE1-CG2 4.2Å; Y1028-V1075 HydrophobicContact CE2-CB 4.49Å; Y1028-V1075 HydrophobicContact CE2-CG2 3.76Å; Y1028-V1075 HydrophobicContact CG-CB 3.68Å; Y1028-V1075 HydrophobicContact CG-CG1 4.45Å; Y1028-V1075 HydrophobicContact CG-CG2 3.64Å
1029G76.5Confident74.2Confident26 Ų2644 Ų4427%0.26821%0.214SC..  trans125.5128.8171.700000112.1L1035 E1077 R1090G1029-L1035 WeakPolarHBondContact O-CD2 3.44Å; G1029-E1077 VanDerWaalsContact CA-OE1 3.22Å; G1029-E1077 WeakPolarHBondContact CA-OE1 3.43Å; G1029-R1090 VanDerWaalsContact CA-NH2 3.34Å
1030E62.5Low76.1Confident167 Ų16742 Ų4278%0.7821%0.205SC*.SBendtrans-103.2-37.9-174.4-63.8-172.8162.300112.7E1077E1030-E1077 PolarHBondContact N-OE1 3.11Å; E1030-E1077 PolarHBondContact N-OE2 2.81Å
1031R58.6Low77.6Confident141 Ų14137.5 Ų37.553%0.53219%0.187SC..SBendtrans-111.9-30.7-160.4-57.3-174.6-167.9-177.815.7117.4D1033 E1077 D1079R1031-D1033 PolarHBondContact O-N 2.83Å; R1031-E1077 PolarHBondContact N-OE2 3.44Å; R1031-D1079 IonicContact CZ-OD1 2.85Å; R1031-D1079 IonicContact CZ-OD2 3.96Å; R1031-D1079 VanDerWaalsContact CZ-OD2 3.3Å; R1031-D1079 IonicContact NH1-OD1 3.6Å; R1031-D1079 PolarHBondContact NH1-OD1 2.9Å; R1031-D1079 IonicContact NH1-OD2 2.82Å; R1031-D1079 PolarHBondContact NH1-OD2 2.82Å; R1031-D1079 IonicContact NH2-OD1 3.42Å; R1031-D1079 IonicContact NH2-OD2 3.55Å; R1031-D1079 PolarHBondContact NH2-OD2 2.86Å
1032E57.9Low78.7Confident29 Ų2936.1 Ų36.114%0.13618%0.184CC..SBendtrans-100.826.8-165.1-49.3-163.7158.200115.9V1034 P1088 R1114E1032-V1034 PolarHBondContact O-N 2.91Å; E1032-P1088 HydrophobicContact CG-CG 4.29Å; E1032-R1114 VanDerWaalsContact CB-NH2 3.26Å; E1032-R1114 PolarHBondContact O-NH2 2.86Å; E1032-R1114 VanDerWaalsContact O-NH2 3.08Å; E1032-R1114 IonicContact OE2-CZ 3.19Å; E1032-R1114 VanDerWaalsContact OE2-CZ 3.26Å; E1032-R1114 IonicContact OE2-NH1 2.77Å; E1032-R1114 PolarHBondContact OE2-NH1 3.17Å; E1032-R1114 IonicContact OE2-NH2 2.74Å; E1032-R1114 PolarHBondContact OE2-NH2 3.18Å
1033D66.7Low79.5Confident66 Ų6638.5 Ų38.535%0.35320%0.199SC..SBendtrans65-8.1176.2-139.117.5000115.4K666 R1031K666-D1033 WeakPolarHBondContact CB-OD1 3.39Å; K666-D1033 WeakPolarHBondContact CD-OD1 3.48Å; K666-D1033 WeakPolarHBondContact CD-OD2 3.32Å; K666-D1033 WeakPolarHBondContact CE-OD2 3.29Å; K666-D1033 IonicContact NZ-OD2 3.4Å; K666-D1033 PolarHBondContact NZ-OD2 2.82Å; R1031-D1033 PolarHBondContact O-N 2.83Å
1034V80.8Confident79.8Confident24 Ų2441.2 Ų41.215%0.14521%0.21CC..  trans-110.6108.4-178.3175.90000108.7E1032 V1036 L1052 R1090 L1110E1032-V1034 PolarHBondContact O-N 2.91Å; V1034-V1036 HydrophobicContact CG1-CG1 4.34Å; V1034-L1052 HydrophobicContact CG1-CD1 3.7Å; V1034-R1090 PolarHBondContact O-NH1 2.82Å; V1034-R1090 PolarHBondContact O-NH2 3.02Å; V1034-L1110 HydrophobicContact CG1-CD2 3.8Å
1035L88.6Confident79.9Confident10 Ų1040 Ų405%0.05221%0.205CC..  trans-93.9140.6171.2-77.4164.6000109.7V662 I669 P1027 Y1028 G1029 A1053V662-L1035 HydrophobicContact CG1-CD1 4.22Å; V662-L1035 HydrophobicContact CG1-CD2 4.49Å; I669-L1035 HydrophobicContact CD1-CB 4.22Å; I669-L1035 HydrophobicContact CD1-CD1 3.62Å; I669-L1035 HydrophobicContact CG1-CD1 4.31Å; P1027-L1035 HydrophobicContact CB-CB 4.3Å; P1027-L1035 HydrophobicContact CB-CD2 4.35Å; Y1028-L1035 CarbonylContact O-C 3.56Å; Y1028-L1035 WeakPolarHBondContact O-CA 3.35Å; G1029-L1035 WeakPolarHBondContact O-CD2 3.44Å; L1035-A1053 HydrophobicContact CB-CB 3.69Å; L1035-A1053 VanDerWaalsContact O-CB 3.27Å; L1035-A1053 WeakPolarHBondContact O-CB 3.3Å; L1035-A1053 PolarHBondContact O-N 3.29Å
1036V90.7Very high79.9Confident1 Ų142.3 Ų42.31%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-125.6146.4177-59.70000113P1027 Y1028 V1034 V1050 R1051 I1059 L1106 L1110P1027-V1036 CarbonylContact C-O 3.56Å; P1027-V1036 VanDerWaalsContact CA-O 3.25Å; P1027-V1036 WeakPolarHBondContact CA-O 3.39Å; Y1028-V1036 PolarHBondContact N-O 3.35Å; Y1028-V1036 PolarHBondContact O-N 3.31Å; V1034-V1036 HydrophobicContact CG1-CG1 4.34Å; V1036-V1050 HydrophobicContact CB-CG1 3.98Å; V1036-V1050 HydrophobicContact CG1-CG1 4.22Å; V1036-V1050 HydrophobicContact CG2-CG1 4.27Å; V1036-R1051 CarbonylContact C-O 3.58Å; V1036-R1051 WeakPolarHBondContact CA-O 3.4Å; V1036-I1059 HydrophobicContact CG1-CD1 3.7Å; V1036-L1106 HydrophobicContact CG2-CD2 4.06Å; V1036-L1110 HydrophobicContact CG1-CD2 3.97Å
1037F91.8Very high80.1Confident0 Ų045 Ų450%023%0.228CC..EExtended strand (participates in β ladder)trans-99.1151.4161.8-67.7-80.6000110.4I669 V671 V678 F702 M704 P1025 P1027 V1050 R1051 A1053I669-F1037 HydrophobicContact CG2-CE2 4.38Å; I669-F1037 HydrophobicContact CG2-CZ 3.98Å; V671-F1037 HydrophobicContact CG2-CE1 3.99Å; V671-F1037 HydrophobicContact CG2-CZ 3.89Å; V678-F1037 HydrophobicContact CG1-CE2 3.78Å; V678-F1037 HydrophobicContact CG1-CZ 3.83Å; V678-F1037 HydrophobicContact CG2-CE2 4.11Å; V678-F1037 HydrophobicContact CG2-CZ 3.95Å; F702-F1037 HydrophobicContact CE2-CD2 4.28Å; F702-F1037 HydrophobicContact CE2-CE2 4.33Å; F702-F1037 HydrophobicContact CZ-CD2 4.03Å; F702-F1037 AromaticContact CZ-CE2 3.84Å; F702-F1037 HydrophobicContact CZ-CE2 3.84Å; M704-F1037 HydrophobicContact CE-CD1 3.42Å; M704-F1037 VanDerWaalsContact CE-CD1 3.42Å; M704-F1037 HydrophobicContact CE-CE1 3.56Å; M704-F1037 HydrophobicContact CE-CG 4Å; M704-F1037 HydrophobicContact CE-CZ 4.28Å; M704-F1037 HydrophobicContact SD-CB 3.49Å; M704-F1037 WeakPolarHBondContact SD-CB 3.48Å; M704-F1037 HydrophobicContact SD-CD1 3.41Å; M704-F1037 WeakPolarHBondContact SD-CD1 3.26Å; M704-F1037 HydrophobicContact SD-CD2 3.76Å; M704-F1037 HydrophobicContact SD-CE1 3.94Å; M704-F1037 HydrophobicContact SD-CE2 4.29Å; M704-F1037 HydrophobicContact SD-CG 3.29Å; M704-F1037 WeakPolarHBondContact SD-CG 3.48Å; M704-F1037 HydrophobicContact SD-CZ 4.36Å; P1025-F1037 CarbonylContact O-C 3.53Å; P1025-F1037 WeakPolarHBondContact O-CA 3.27Å; P1025-F1037 WeakPolarHBondContact O-CB 3.38Å; P1025-F1037 WeakPolarHBondContact O-CD1 3.38Å; P1027-F1037 HydrophobicContact CB-CD1 4.03Å; P1027-F1037 HydrophobicContact CB-CD2 4.45Å; P1027-F1037 HydrophobicContact CB-CE1 3.77Å; P1027-F1037 HydrophobicContact CB-CE2 4.17Å; P1027-F1037 HydrophobicContact CB-CG 4.38Å; P1027-F1037 HydrophobicContact CB-CZ 3.84Å; P1027-F1037 VanDerWaalsContact CD-CE1 3.42Å; P1027-F1037 HydrophobicContact CG-CE1 4.01Å; P1027-F1037 HydrophobicContact CG-CZ 3.99Å; P1027-F1037 VanDerWaalsContact N-CE1 3.34Å; F1037-V1050 CarbonylContact O-C 3.58Å; F1037-V1050 WeakPolarHBondContact O-CA 3.42Å; F1037-R1051 PolarHBondContact N-O 3.03Å; F1037-R1051 PolarHBondContact O-N 2.79Å; F1037-A1053 HydrophobicContact CD2-CB 3.5Å; F1037-A1053 VanDerWaalsContact CD2-CB 3.5Å; F1037-A1053 HydrophobicContact CE2-CB 3.39Å; F1037-A1053 HydrophobicContact CG-CB 4.44Å; F1037-A1053 HydrophobicContact CZ-CB 4.29Å
1038V90.6Very high80.2Confident0 Ų044.1 Ų44.10%022%0.223CC..EExtended strand (participates in β ladder)trans-118.8102.4173.7-179.50000107.8P1025 Y1028 L1048 F1073 V1075 I1092P1025-V1038 VanDerWaalsContact CA-O 3.3Å; P1025-V1038 WeakPolarHBondContact CA-O 3.17Å; P1025-V1038 VanDerWaalsContact CB-O 3.26Å; P1025-V1038 WeakPolarHBondContact CB-O 3.32Å; P1025-V1038 PolarHBondContact O-N 3.28Å; Y1028-V1038 HydrophobicContact CD2-CG2 4.4Å; V1038-L1048 HydrophobicContact CG1-CB 3.98Å; V1038-L1048 HydrophobicContact CG1-CD1 3.83Å; V1038-L1048 HydrophobicContact CG1-CD2 4.34Å; V1038-L1048 HydrophobicContact CG1-CG 4.28Å; V1038-F1073 HydrophobicContact CB-CD2 4.17Å; V1038-F1073 HydrophobicContact CB-CE2 3.65Å; V1038-F1073 HydrophobicContact CB-CZ 4.2Å; V1038-F1073 HydrophobicContact CG1-CD2 3.75Å; V1038-F1073 HydrophobicContact CG1-CE1 4.47Å; V1038-F1073 HydrophobicContact CG1-CE2 3.57Å; V1038-F1073 HydrophobicContact CG1-CG 4.3Å; V1038-F1073 HydrophobicContact CG1-CZ 3.95Å; V1038-V1075 HydrophobicContact CG2-CG2 3.75Å; V1038-I1092 HydrophobicContact CG2-CD1 4.43Å
1039Q88.4Confident80.4Confident10 Ų1043.3 Ų43.35%0.04722%0.22CC..EExtended strand (participates in β ladder)trans-95.7119.2-176.1-177.5-175.922.300110.4T705 L1041 F1049T705-Q1039 PolarHBondContact O-NE2 2.54Å; Q1039-L1041 HydrophobicContact CG-CD2 4.13Å; Q1039-F1049 HydrophobicContact CB-CB 4.35Å; Q1039-F1049 PolarHBondContact N-O 3.22Å; Q1039-F1049 PolarHBondContact O-N 2.92Å
1040K86.1Confident81Confident23 Ų2342 Ų4210%0.121%0.207CC..  trans-99.4118.4168.3-172.2-179.5168.6-169.50108.1T1042 P1043 A1045 L1048 I1070 F1073K1040-T1042 WeakPolarHBondContact CE-O 3.24Å; K1040-P1043 VanDerWaalsContact CE-O 3.27Å; K1040-P1043 WeakPolarHBondContact CE-O 3.37Å; K1040-P1043 PolarHBondContact NZ-O 2.81Å; K1040-A1045 HydrophobicContact CG-CB 3.98Å; K1040-L1048 HydrophobicContact CB-CD2 3.56Å; K1040-L1048 HydrophobicContact CD-CD2 4.22Å; K1040-L1048 HydrophobicContact CG-CD2 3.79Å; K1040-I1070 VanDerWaalsContact CE-O 3.26Å; K1040-I1070 WeakPolarHBondContact CE-O 3.41Å; K1040-I1070 PolarHBondContact NZ-O 2.67Å; K1040-F1073 HydrophobicContact CB-CE1 4.27Å
1041L81.2Confident82.3Confident57 Ų5736.1 Ų36.130%0.29818%0.178SC..SBendtrans-75.3-37.8-170.5-75.9-177.3000114.3L707 Q1039 F1049L707-L1041 PolarHBondContact N-O 3.08Å; Q1039-L1041 HydrophobicContact CG-CD2 4.13Å; L1041-F1049 HydrophobicContact CB-CE2 4.49Å; L1041-F1049 HydrophobicContact CD1-CD2 4.07Å; L1041-F1049 HydrophobicContact CD1-CE2 3.38Å; L1041-F1049 HydrophobicContact CD1-CZ 4.04Å; L1041-F1049 HydrophobicContact CG-CD2 3.87Å; L1041-F1049 HydrophobicContact CG-CE2 3.6Å
1042T78.1Confident83.8Confident45 Ų4531.3 Ų31.328%0.27616%0.162SC..SBendtrans-131.8154.4177.559.50000110L707 K1040 Q1044 A1045L707-T1042 HydrophobicContact CB-CG2 4.1Å; K1040-T1042 WeakPolarHBondContact CE-O 3.24Å; T1042-Q1044 PolarHBondContact O-N 3.38Å; T1042-Q1044 VanDerWaalsContact O-N 3.1Å; T1042-A1045 VanDerWaalsContact O-CB 3.29Å; T1042-A1045 WeakPolarHBondContact O-CB 3.4Å; T1042-A1045 PolarHBondContact O-N 3.36Å; T1042-A1045 PolarHBondContact OG1-N 2.82Å
1043P76.4Confident85.3Confident57 Ų5729.9 Ų29.937%0.3716%0.156SC..THydrogen-bonded Turntrans-57.4-25.1179.8-26.435.3000114.9K1040K1040-P1043 VanDerWaalsContact CE-O 3.27Å; K1040-P1043 WeakPolarHBondContact CE-O 3.37Å; K1040-P1043 PolarHBondContact NZ-O 2.81Å
1044Q79.3Confident86.4Confident106 Ų10627.1 Ų27.150%0.49514%0.141SC..THydrogen-bonded Turntrans-100.96.8-179.7-56.879.6-1.500113.3T709 T1042 N1046 S1069T709-Q1044 VanDerWaalsContact CG2-OE1 3.31Å; T1042-Q1044 PolarHBondContact O-N 3.38Å; T1042-Q1044 VanDerWaalsContact O-N 3.1Å; Q1044-N1046 PolarHBondContact O-N 3.16Å; Q1044-S1069 WeakPolarHBondContact CA-OG 3.42Å; Q1044-S1069 WeakPolarHBondContact O-CB 3.32Å; Q1044-S1069 PolarHBondContact O-OG 3.29Å
1045A83.7Confident86.7Confident10 Ų1029 Ų298%0.08315%0.153CC..  trans-62132.6-176.900000112.7K1040 T1042 Q1047 I1070K1040-A1045 HydrophobicContact CG-CB 3.98Å; T1042-A1045 VanDerWaalsContact O-CB 3.29Å; T1042-A1045 WeakPolarHBondContact O-CB 3.4Å; T1042-A1045 PolarHBondContact O-N 3.36Å; T1042-A1045 PolarHBondContact OG1-N 2.82Å; A1045-Q1047 VanDerWaalsContact C-N 3.29Å; A1045-I1070 PolarHBondContact O-N 3.08Å; A1045-I1070 VanDerWaalsContact O-N 3.1Å
1046N85.6Confident86.6Confident59 Ų5928.9 Ų28.932%0.31615%0.154SC..SBendtrans-90.713.2168.262.80.3000112.9Q1044 S1064 R1067 S1068Q1044-N1046 PolarHBondContact O-N 3.16Å; N1046-S1064 WeakPolarHBondContact O-CB 3.34Å; N1046-S1064 PolarHBondContact O-N 3.08Å; N1046-R1067 WeakPolarHBondContact CB-O 3.16Å; N1046-R1067 PolarHBondContact ND2-O 2.93Å; N1046-S1068 WeakPolarHBondContact CA-O 3.41Å; N1046-S1068 WeakPolarHBondContact CB-O 3.26Å
1047Q85.9Confident86.4Confident60 Ų6036.1 Ų36.128%0.2819%0.185SC..EExtended strand (participates in β ladder)trans-137.3151.3178.858.3171.4-35.100112.6A1045 F1049 V1061 I1062A1045-Q1047 VanDerWaalsContact C-N 3.29Å; Q1047-F1049 HydrophobicContact CG-CE2 4.33Å; Q1047-F1049 HydrophobicContact CG-CZ 4.42Å; Q1047-V1061 HydrophobicContact CB-CG1 4.41Å; Q1047-I1062 CarbonylContact C-O 3.47Å; Q1047-I1062 WeakPolarHBondContact CA-O 3.4Å; Q1047-I1062 VanDerWaalsContact CB-O 3.31Å; Q1047-I1062 WeakPolarHBondContact CB-O 3.4Å
1048L89.7Confident86.1Confident0 Ų039.1 Ų39.10%020%0.197CC..EExtended strand (participates in β ladder)trans-129.7136.4176-56.2172000110.6V1038 K1040 V1061 I1062 I1070 F1073 T1094V1038-L1048 HydrophobicContact CG1-CB 3.98Å; V1038-L1048 HydrophobicContact CG1-CD1 3.83Å; V1038-L1048 HydrophobicContact CG1-CD2 4.34Å; V1038-L1048 HydrophobicContact CG1-CG 4.28Å; K1040-L1048 HydrophobicContact CB-CD2 3.56Å; K1040-L1048 HydrophobicContact CD-CD2 4.22Å; K1040-L1048 HydrophobicContact CG-CD2 3.79Å; L1048-V1061 WeakPolarHBondContact O-CA 3.19Å; L1048-I1062 HydrophobicContact CB-CB 4.26Å; L1048-I1062 HydrophobicContact CD1-CD1 4.43Å; L1048-I1062 PolarHBondContact N-O 2.71Å; L1048-I1062 PolarHBondContact O-N 3.47Å; L1048-I1070 HydrophobicContact CD1-CD1 4.09Å; L1048-I1070 HydrophobicContact CD1-CG2 4.29Å; L1048-I1070 HydrophobicContact CD2-CD1 4.36Å; L1048-I1070 HydrophobicContact CD2-CG2 4.47Å; L1048-I1070 HydrophobicContact CG-CD1 3.73Å; L1048-F1073 HydrophobicContact CD1-CB 4Å; L1048-F1073 HydrophobicContact CD1-CD1 4.11Å; L1048-F1073 HydrophobicContact CD1-CG 4.04Å; L1048-F1073 HydrophobicContact CD2-CD1 3.95Å; L1048-F1073 HydrophobicContact CD2-CE1 4.09Å; L1048-T1094 HydrophobicContact CD1-CG2 3.62Å
1049F88.7Confident85.7Confident18 Ų1840.6 Ų40.68%0.07920%0.204CC..EExtended strand (participates in β ladder)trans-98.7115.6175.1-58.6-82.8000110.1Q1039 L1041 Q1047 V1061Q1039-F1049 HydrophobicContact CB-CB 4.35Å; Q1039-F1049 PolarHBondContact N-O 3.22Å; Q1039-F1049 PolarHBondContact O-N 2.92Å; L1041-F1049 HydrophobicContact CB-CE2 4.49Å; L1041-F1049 HydrophobicContact CD1-CD2 4.07Å; L1041-F1049 HydrophobicContact CD1-CE2 3.38Å; L1041-F1049 HydrophobicContact CD1-CZ 4.04Å; L1041-F1049 HydrophobicContact CG-CD2 3.87Å; L1041-F1049 HydrophobicContact CG-CE2 3.6Å; Q1047-F1049 HydrophobicContact CG-CE2 4.33Å; Q1047-F1049 HydrophobicContact CG-CZ 4.42Å; F1049-V1061 HydrophobicContact CD1-CB 4.42Å; F1049-V1061 HydrophobicContact CD1-CG1 3.94Å; F1049-V1061 HydrophobicContact CD1-CG2 3.73Å; F1049-V1061 HydrophobicContact CE1-CG1 3.8Å; F1049-V1061 HydrophobicContact CE1-CG2 3.88Å; F1049-V1061 HydrophobicContact CZ-CG1 4.43Å
1050V89.3Confident85.4Confident0 Ų040.2 Ų40.20%020%0.203CC..EExtended strand (participates in β ladder)trans-86.2126.2173.7-171.40000108.6V1036 F1037 R1058 I1059 C1060 I1062 I1092 L1106V1036-V1050 HydrophobicContact CB-CG1 3.98Å; V1036-V1050 HydrophobicContact CG1-CG1 4.22Å; V1036-V1050 HydrophobicContact CG2-CG1 4.27Å; F1037-V1050 CarbonylContact O-C 3.58Å; F1037-V1050 WeakPolarHBondContact O-CA 3.42Å; V1050-R1058 WeakPolarHBondContact O-CA 3.49Å; V1050-I1059 PolarHBondContact O-N 3.06Å; V1050-C1060 PolarHBondContact N-O 3.38Å; V1050-I1062 HydrophobicContact CG2-CD1 4.45Å; V1050-I1092 HydrophobicContact CG2-CD1 3.78Å; V1050-L1106 HydrophobicContact CG1-CD1 4.05Å
1051R89.8Confident85.4Confident43 Ų4340 Ų4016%0.16220%0.203CC..EExtended strand (participates in β ladder)trans-125.2142.6-177.5-66.2-177.3179.7-83.7-0.6111.6V1036 F1037 A1053 G1056 K1057V1036-R1051 CarbonylContact C-O 3.58Å; V1036-R1051 WeakPolarHBondContact CA-O 3.4Å; F1037-R1051 PolarHBondContact N-O 3.03Å; F1037-R1051 PolarHBondContact O-N 2.79Å; R1051-A1053 PolarHBondContact O-N 3.38Å; R1051-G1056 WeakPolarHBondContact CD-O 3.32Å; R1051-G1056 PolarHBondContact NH1-O 3.34Å; R1051-K1057 CarbonylContact C-O 3.56Å; R1051-K1057 WeakPolarHBondContact CA-O 3.45Å
1052L89.6Confident85.7Confident39 Ų3937.2 Ų37.220%0.20419%0.189CC..EExtended strand (participates in β ladder)trans-69.2119.5172.9-177.463000110.1V1034 S1054 T1055 G1056 K1057 I1059V1034-L1052 HydrophobicContact CG1-CD1 3.7Å; L1052-S1054 WeakPolarHBondContact CG-OG 3.41Å; L1052-S1054 PolarHBondContact O-N 3.29Å; L1052-T1055 HydrophobicContact CD2-CG2 4.49Å; L1052-T1055 PolarHBondContact O-N 3.2Å; L1052-G1056 WeakPolarHBondContact O-CA 3.46Å; L1052-G1056 PolarHBondContact O-N 2.8Å; L1052-K1057 PolarHBondContact N-O 3.05Å; L1052-I1059 HydrophobicContact CB-CD1 4Å; L1052-I1059 HydrophobicContact CB-CG1 4.16Å; L1052-I1059 HydrophobicContact CD1-CD1 4.47Å
1053A90.8Very high86Confident0 Ų038.2 Ų38.20%019%0.19CC..THydrogen-bonded Turntrans-68.7-18.9-172.300000114.4I669 T680 P1027 L1035 F1037 R1051I669-A1053 HydrophobicContact CD1-CB 3.55Å; T680-A1053 PolarHBondContact OG1-O 2.81Å; P1027-A1053 HydrophobicContact CB-CB 3.79Å; L1035-A1053 HydrophobicContact CB-CB 3.69Å; L1035-A1053 VanDerWaalsContact O-CB 3.27Å; L1035-A1053 WeakPolarHBondContact O-CB 3.3Å; L1035-A1053 PolarHBondContact O-N 3.29Å; F1037-A1053 HydrophobicContact CD2-CB 3.5Å; F1037-A1053 VanDerWaalsContact CD2-CB 3.5Å; F1037-A1053 HydrophobicContact CE2-CB 3.39Å; F1037-A1053 HydrophobicContact CG-CB 4.44Å; F1037-A1053 HydrophobicContact CZ-CB 4.29Å; R1051-A1053 PolarHBondContact O-N 3.38Å
1054S88.6Confident86.3Confident7 Ų735.8 Ų35.85%0.04918%0.175CC..THydrogen-bonded Turntrans-76.7-23175.757.80000114.3V699 G700 L1052V699-S1054 WeakPolarHBondContact CG1-O 3.41Å; G700-S1054 WeakPolarHBondContact CA-O 3.19Å; L1052-S1054 WeakPolarHBondContact CG-OG 3.41Å; L1052-S1054 PolarHBondContact O-N 3.29Å
1055T88.5Confident86.3Confident65 Ų6533.3 Ų33.340%0.39917%0.166SC..THydrogen-bonded Turntrans-136.2-17.3-172.662.10000115.6V699 L1052 K1057V699-T1055 HydrophobicContact CG1-CG2 4.45Å; L1052-T1055 HydrophobicContact CD2-CG2 4.49Å; L1052-T1055 PolarHBondContact O-N 3.2Å; T1055-K1057 PolarHBondContact O-N 2.61Å; T1055-K1057 WeakPolarHBondContact OG1-CB 3.48Å; T1055-K1057 PolarHBondContact OG1-N 2.71Å
1056G86.6Confident86Confident7 Ų734.3 Ų34.37%0.07217%0.171CC..  trans80.8-3.6-171.900000114.4R1051 L1052 R1058R1051-G1056 WeakPolarHBondContact CD-O 3.32Å; R1051-G1056 PolarHBondContact NH1-O 3.34Å; L1052-G1056 WeakPolarHBondContact O-CA 3.46Å; L1052-G1056 PolarHBondContact O-N 2.8Å; G1056-R1058 PolarHBondContact O-N 3.17Å
1057K85.5Confident85.8Confident152 Ų15240.3 Ų40.366%0.66119%0.189SC*.  trans-58.5126.3177.5-176.5-177.4175.3-176.50110R1051 L1052 T1055R1051-K1057 CarbonylContact C-O 3.56Å; R1051-K1057 WeakPolarHBondContact CA-O 3.45Å; L1052-K1057 PolarHBondContact N-O 3.05Å; T1055-K1057 PolarHBondContact O-N 2.61Å; T1055-K1057 WeakPolarHBondContact OG1-CB 3.48Å; T1055-K1057 PolarHBondContact OG1-N 2.71Å
1058R84.6Confident85.6Confident64 Ų6438.3 Ų38.324%0.24218%0.181CC..EExtended strand (participates in β ladder)trans-63.5130.3171.1174.7162.348.6161.1-5.1110D884 V1050 G1056D884-R1058 IonicContact OD1-CZ 3.86Å; D884-R1058 IonicContact OD1-NE 2.77Å; D884-R1058 PolarHBondContact OD1-NE 2.96Å; D884-R1058 IonicContact OD1-NH2 2.69Å; D884-R1058 PolarHBondContact OD1-NH2 2.89Å; D884-R1058 IonicContact OD2-NH2 2.75Å; D884-R1058 PolarHBondContact OD2-NH2 2.85Å; D884-R1058 VanDerWaalsContact OD2-NH2 3.17Å; V1050-R1058 WeakPolarHBondContact O-CA 3.49Å; G1056-R1058 PolarHBondContact O-N 3.17Å
1059I83.1Confident85.6Confident30 Ų3039.7 Ų39.715%0.15419%0.191CC..EExtended strand (participates in β ladder)trans-95.2-47179.9-57.3-179000109.5V1036 V1050 L1052 A1109 L1110V1036-I1059 HydrophobicContact CG1-CD1 3.7Å; V1050-I1059 PolarHBondContact O-N 3.06Å; L1052-I1059 HydrophobicContact CB-CD1 4Å; L1052-I1059 HydrophobicContact CB-CG1 4.16Å; L1052-I1059 HydrophobicContact CD1-CD1 4.47Å; I1059-A1109 HydrophobicContact CG2-CB 4.28Å; I1059-L1110 HydrophobicContact CD1-CD2 3.81Å
1060C83Confident85.7Confident2 Ų238.8 Ų38.81%0.01419%0.187CC..EExtended strand (participates in β ladder)trans-163172.1-178.150.30000110.2D110 L111 V1050 A1109D110-C1060 HydrophobicContact CB-CB 3.91Å; D110-C1060 WeakPolarHBondContact OD2-CA 3.41Å; D110-C1060 WeakPolarHBondContact OD2-CB 3.32Å; L111-C1060 HydrophobicContact CD1-CB 4.29Å; L111-C1060 VanDerWaalsContact CD1-SG 3.55Å; L111-C1060 HydrophobicContact CG-CB 4.13Å; V1050-C1060 PolarHBondContact N-O 3.38Å; C1060-A1109 HydrophobicContact CB-CB 4.25Å
1061V85.9Confident85.7Confident18 Ų1840.1 Ų40.111%0.10920%0.196CC..EExtended strand (participates in β ladder)trans-123.4130.9173.5-167.50000109.2Q1047 L1048 F1049Q1047-V1061 HydrophobicContact CB-CG1 4.41Å; L1048-V1061 WeakPolarHBondContact O-CA 3.19Å; F1049-V1061 HydrophobicContact CD1-CB 4.42Å; F1049-V1061 HydrophobicContact CD1-CG1 3.94Å; F1049-V1061 HydrophobicContact CD1-CG2 3.73Å; F1049-V1061 HydrophobicContact CE1-CG1 3.8Å; F1049-V1061 HydrophobicContact CE1-CG2 3.88Å; F1049-V1061 HydrophobicContact CZ-CG1 4.43Å
1062I87.1Confident85.8Confident0 Ų038 Ų380%019%0.188CC..EExtended strand (participates in β ladder)trans-90.6133.9167.2-65.4170.5000107.9L111 Q1047 L1048 V1050 I1092 W1104L111-I1062 HydrophobicContact CD1-CD1 3.89Å; L111-I1062 HydrophobicContact CD1-CG1 3.26Å; Q1047-I1062 CarbonylContact C-O 3.47Å; Q1047-I1062 WeakPolarHBondContact CA-O 3.4Å; Q1047-I1062 VanDerWaalsContact CB-O 3.31Å; Q1047-I1062 WeakPolarHBondContact CB-O 3.4Å; L1048-I1062 HydrophobicContact CB-CB 4.26Å; L1048-I1062 HydrophobicContact CD1-CD1 4.43Å; L1048-I1062 PolarHBondContact N-O 2.71Å; L1048-I1062 PolarHBondContact O-N 3.47Å; V1050-I1062 HydrophobicContact CG2-CD1 4.45Å; I1062-I1092 HydrophobicContact CD1-CB 4.07Å; I1062-I1092 HydrophobicContact CD1-CD1 3.71Å; I1062-I1092 HydrophobicContact CD1-CG1 4.48Å; I1062-I1092 HydrophobicContact CD1-CG2 3.79Å; I1062-W1104 HydrophobicContact CD1-CB 4.37Å; I1062-W1104 HydrophobicContact CD1-CG 4.11Å; I1062-W1104 HydrophobicContact CG1-CD2 4.42Å; I1062-W1104 HydrophobicContact CG1-CG 4.38Å; I1062-W1104 HydrophobicContact CG2-CD2 3.88Å; I1062-W1104 VanDerWaalsContact CG2-CE2 3.45Å; I1062-W1104 HydrophobicContact CG2-CE3 4.41Å; I1062-W1104 HydrophobicContact CG2-CG 4.32Å; I1062-W1104 HydrophobicContact CG2-CH2 4.23Å; I1062-W1104 HydrophobicContact CG2-CZ2 3.67Å
1063H83.8Confident86Confident65 Ų6536.3 Ų36.330%0.30118%0.179SC..EExtended strand (participates in β ladder)trans-117.9136.7167-58.287.6000109.1V1065 W1104H1063-V1065 PolarHBondContact O-N 2.89Å; H1063-W1104 WeakPolarHBondContact O-CH2 3.11Å; H1063-W1104 VanDerWaalsContact O-CZ2 3.25Å; H1063-W1104 WeakPolarHBondContact O-CZ2 2.99Å
1064S82.2Confident86Confident7 Ų737.3 Ų37.35%0.04919%0.185CC..  trans-63.1127.4176.3-173.30000110.7N1046 D1066 R1067 S1068 H1096 Q1102N1046-S1064 WeakPolarHBondContact O-CB 3.34Å; N1046-S1064 PolarHBondContact O-N 3.08Å; S1064-D1066 VanDerWaalsContact C-N 3.29Å; S1064-D1066 PolarHBondContact O-N 3.41Å; S1064-D1066 PolarHBondContact OG-OD1 3.04Å; S1064-R1067 WeakPolarHBondContact O-CA 3.11Å; S1064-R1067 PolarHBondContact O-N 3.04Å; S1064-S1068 VanDerWaalsContact CB-O 3.31Å; S1064-S1068 WeakPolarHBondContact CB-O 3.06Å; S1064-S1068 PolarHBondContact OG-O 3.4Å; S1064-H1096 VanDerWaalsContact CA-CE1 3.45Å; S1064-H1096 WeakPolarHBondContact CA-CE1 3.48Å; S1064-H1096 WeakPolarHBondContact CB-CE1 3.48Å; S1064-H1096 PolarHBondContact OG-CE1 3.32Å; S1064-H1096 PolarHBondContact OG-ND1 2.79Å; S1064-Q1102 PolarHBondContact OG-NE2 3.11Å; S1064-Q1102 PolarHBondContact OG-OE1 3.05Å
1065V79.5Confident86Confident53 Ų5338.1 Ų38.132%0.32119%0.19SC..THydrogen-bonded Turntrans-61.9-38.6-174.81800000111.6F113 H1063 R1067 W1104F113-V1065 HydrophobicContact CD2-CG2 3.74Å; F113-V1065 HydrophobicContact CE2-CG2 3.5Å; F113-V1065 HydrophobicContact CG-CG2 4.39Å; F113-V1065 HydrophobicContact CZ-CG2 4Å; H1063-V1065 PolarHBondContact O-N 2.89Å; V1065-R1067 VanDerWaalsContact C-N 3.32Å; V1065-W1104 HydrophobicContact CG2-CH2 3.57Å; V1065-W1104 HydrophobicContact CG2-CZ2 3.92Å
1066D77.7Confident85.9Confident32 Ų3236 Ų3617%0.17118%0.175CC..THydrogen-bonded Turntrans-90.17.5176.46415.4000113.2Y116 S1064 S1068 N1098 T1100 Q1102Y116-D1066 HydrophobicContact CE2-CB 4.47Å; Y116-D1066 PolarHBondContact OH-OD2 2.62Å; S1064-D1066 VanDerWaalsContact C-N 3.29Å; S1064-D1066 PolarHBondContact O-N 3.41Å; S1064-D1066 PolarHBondContact OG-OD1 3.04Å; D1066-S1068 VanDerWaalsContact CG-OG 3.3Å; D1066-S1068 PolarHBondContact O-N 3.06Å; D1066-S1068 VanDerWaalsContact O-N 3.1Å; D1066-S1068 WeakPolarHBondContact OD1-CB 3.46Å; D1066-S1068 PolarHBondContact OD1-N 2.84Å; D1066-S1068 PolarHBondContact OD1-OG 3.15Å; D1066-S1068 PolarHBondContact OD2-OG 3.5Å; D1066-N1098 PolarHBondContact OD2-ND2 2.74Å; D1066-T1100 PolarHBondContact OD2-OG1 2.85Å; D1066-Q1102 VanDerWaalsContact CG-NE2 3.29Å; D1066-Q1102 PolarHBondContact OD1-NE2 3.47Å; D1066-Q1102 PolarHBondContact OD2-NE2 2.75Å
1067R81.1Confident85.5Confident185 Ų18537.1 Ų37.170%0.69818%0.179SC*.  trans594.2-172.7-57.7-176.6175.2-140.74.3116.4N1046 S1064 V1065N1046-R1067 WeakPolarHBondContact CB-O 3.16Å; N1046-R1067 PolarHBondContact ND2-O 2.93Å; S1064-R1067 WeakPolarHBondContact O-CA 3.11Å; S1064-R1067 PolarHBondContact O-N 3.04Å; V1065-R1067 VanDerWaalsContact C-N 3.32Å
1068S83.5Confident84.9Confident18 Ų1830.7 Ų30.713%0.12615%0.151CC..  trans-67.6157.9-178.868.70000112.4N1046 S1064 D1066 I1070 H1096N1046-S1068 WeakPolarHBondContact CA-O 3.41Å; N1046-S1068 WeakPolarHBondContact CB-O 3.26Å; S1064-S1068 VanDerWaalsContact CB-O 3.31Å; S1064-S1068 WeakPolarHBondContact CB-O 3.06Å; S1064-S1068 PolarHBondContact OG-O 3.4Å; D1066-S1068 VanDerWaalsContact CG-OG 3.3Å; D1066-S1068 PolarHBondContact O-N 3.06Å; D1066-S1068 VanDerWaalsContact O-N 3.1Å; D1066-S1068 WeakPolarHBondContact OD1-CB 3.46Å; D1066-S1068 PolarHBondContact OD1-N 2.84Å; D1066-S1068 PolarHBondContact OD1-OG 3.15Å; D1066-S1068 PolarHBondContact OD2-OG 3.5Å; S1068-I1070 PolarHBondContact O-N 3.26Å; S1068-H1096 WeakPolarHBondContact OG-CB 3.29Å; S1068-H1096 PolarHBondContact OG-ND1 3.47Å
1069S87.8Confident83.9Confident28 Ų2831.3 Ų31.320%0.19616%0.159CC..  trans-69.3124.4179.6164.60000110.1Q1044 S1071 S1097Q1044-S1069 WeakPolarHBondContact CA-OG 3.42Å; Q1044-S1069 WeakPolarHBondContact O-CB 3.32Å; Q1044-S1069 PolarHBondContact O-OG 3.29Å; S1069-S1071 PolarHBondContact O-N 3.15Å; S1069-S1097 PolarHBondContact N-OG 3.06Å; S1069-S1097 PolarHBondContact O-N 3.31Å; S1069-S1097 PolarHBondContact O-OG 3.27Å
1070I90.8Very high82.4Confident0 Ų031.3 Ų31.30%017%0.167CC..EExtended strand (participates in β ladder)trans-69.4102.5177.1-64166.5000107.9K1040 A1045 L1048 S1068 S1072 T1094 G1095 H1096K1040-I1070 VanDerWaalsContact CE-O 3.26Å; K1040-I1070 WeakPolarHBondContact CE-O 3.41Å; K1040-I1070 PolarHBondContact NZ-O 2.67Å; A1045-I1070 PolarHBondContact O-N 3.08Å; A1045-I1070 VanDerWaalsContact O-N 3.1Å; L1048-I1070 HydrophobicContact CD1-CD1 4.09Å; L1048-I1070 HydrophobicContact CD1-CG2 4.29Å; L1048-I1070 HydrophobicContact CD2-CD1 4.36Å; L1048-I1070 HydrophobicContact CD2-CG2 4.47Å; L1048-I1070 HydrophobicContact CG-CD1 3.73Å; S1068-I1070 PolarHBondContact O-N 3.26Å; I1070-S1072 VanDerWaalsContact CG2-O 3.31Å; I1070-S1072 WeakPolarHBondContact CG2-O 3.26Å; I1070-T1094 HydrophobicContact CD1-CG2 4.41Å; I1070-T1094 HydrophobicContact CG2-CG2 4.18Å; I1070-G1095 CarbonylContact C-O 3.49Å; I1070-H1096 WeakPolarHBondContact CG1-CE1 3.46Å
1071S90.8Very high80.8Confident27 Ų2737.5 Ų37.519%0.18919%0.194CC..EExtended strand (participates in β ladder)trans-80.4-26.4-177.255.90000113V261 N1023 S1069 G1095 H1096V261-S1071 PolarHBondContact N-OG 2.9Å; V261-S1071 WeakPolarHBondContact O-CB 3.49Å; V261-S1071 PolarHBondContact O-OG 2.88Å; N1023-S1071 PolarHBondContact ND2-O 3.43Å; S1069-S1071 PolarHBondContact O-N 3.15Å; S1071-G1095 PolarHBondContact N-O 2.82Å; S1071-G1095 PolarHBondContact OG-O 3.35Å; S1071-H1096 WeakPolarHBondContact OG-CA 3.35Å; S1071-H1096 PolarHBondContact OG-N 3.36Å; S1071-H1096 PolarHBondContact OG-O 2.89Å
1072S91.6Very high78.9Confident0 Ų044.6 Ų44.60%023%0.231CC..EExtended strand (participates in β ladder)trans-150.6162.3172.355.30000112.3V261 A1022 I1070 T1094 G1095V261-S1072 WeakPolarHBondContact O-CB 3.38Å; V261-S1072 PolarHBondContact O-OG 2.89Å; A1022-S1072 CarbonylContact O-C 3.49Å; A1022-S1072 WeakPolarHBondContact O-CA 3.38Å; A1022-S1072 VanDerWaalsContact O-CB 3.27Å; A1022-S1072 WeakPolarHBondContact O-CB 3.44Å; I1070-S1072 VanDerWaalsContact CG2-O 3.31Å; I1070-S1072 WeakPolarHBondContact CG2-O 3.26Å; S1072-T1094 CarbonylContact O-C 3.51Å; S1072-T1094 WeakPolarHBondContact O-CA 3.41Å; S1072-G1095 PolarHBondContact N-O 2.87Å; S1072-G1095 PolarHBondContact O-N 2.84Å; S1072-G1095 VanDerWaalsContact O-O 3.1Å
1073F92.6Very high76.9Confident2 Ų250 Ų501%0.00925%0.252CS..EExtended strand (participates in β ladder)trans-149.5158.2171.463.2-94.9000111.8A1022 N1023 N1024 V1038 K1040 L1048 F1093 T1094A1022-F1073 PolarHBondContact O-N 2.86Å; A1022-F1073 VanDerWaalsContact O-O 3.13Å; N1023-F1073 HydrophobicContact CB-CD1 4.42Å; N1023-F1073 HydrophobicContact CB-CE1 3.83Å; N1023-F1073 HydrophobicContact CB-CZ 4.4Å; N1023-F1073 WeakPolarHBondContact OD1-CD1 3.38Å; N1024-F1073 WeakPolarHBondContact O-CE2 3.31Å; V1038-F1073 HydrophobicContact CB-CD2 4.17Å; V1038-F1073 HydrophobicContact CB-CE2 3.65Å; V1038-F1073 HydrophobicContact CB-CZ 4.2Å; V1038-F1073 HydrophobicContact CG1-CD2 3.75Å; V1038-F1073 HydrophobicContact CG1-CE1 4.47Å; V1038-F1073 HydrophobicContact CG1-CE2 3.57Å; V1038-F1073 HydrophobicContact CG1-CG 4.3Å; V1038-F1073 HydrophobicContact CG1-CZ 3.95Å; K1040-F1073 HydrophobicContact CB-CE1 4.27Å; L1048-F1073 HydrophobicContact CD1-CB 4Å; L1048-F1073 HydrophobicContact CD1-CD1 4.11Å; L1048-F1073 HydrophobicContact CD1-CG 4.04Å; L1048-F1073 HydrophobicContact CD2-CD1 3.95Å; L1048-F1073 HydrophobicContact CD2-CE1 4.09Å; F1073-F1093 CarbonylContact C-O 3.52Å; F1073-F1093 WeakPolarHBondContact CA-O 3.42Å; F1073-F1093 WeakPolarHBondContact CB-O 3.47Å; F1073-T1094 HydrophobicContact CB-CG2 4.13Å
1074T90.7Very high74.8Confident22 Ų2254.5 Ų54.514%0.13528%0.283CS..EExtended strand (participates in β ladder)trans-150.6151.5169.8-167.80000110.9L264 I1092 F1093L264-T1074 HydrophobicContact CB-CG2 3.62Å; T1074-I1092 WeakPolarHBondContact O-CA 3.47Å; T1074-F1093 HydrophobicContact CG2-CB 4.05Å; T1074-F1093 HydrophobicContact CG2-CD2 4.43Å; T1074-F1093 PolarHBondContact N-O 2.92Å; T1074-F1093 PolarHBondContact O-N 3.16Å
1075V89.2Confident72.9Confident23 Ų2357.8 Ų57.814%0.13932%0.318CS..EExtended strand (participates in β ladder)trans-111.9131.4177.7-166.50000108.5Y1028 V1038 Y1091 I1092 L1106Y1028-V1075 HydrophobicContact CD1-CB 3.68Å; Y1028-V1075 HydrophobicContact CD1-CG2 4Å; Y1028-V1075 HydrophobicContact CD2-CB 4.12Å; Y1028-V1075 HydrophobicContact CD2-CG2 3.52Å; Y1028-V1075 HydrophobicContact CE1-CB 4.09Å; Y1028-V1075 HydrophobicContact CE1-CG2 4.2Å; Y1028-V1075 HydrophobicContact CE2-CB 4.49Å; Y1028-V1075 HydrophobicContact CE2-CG2 3.76Å; Y1028-V1075 HydrophobicContact CG-CB 3.68Å; Y1028-V1075 HydrophobicContact CG-CG1 4.45Å; Y1028-V1075 HydrophobicContact CG-CG2 3.64Å; V1038-V1075 HydrophobicContact CG2-CG2 3.75Å; V1075-Y1091 WeakPolarHBondContact CA-O 3.4Å; V1075-I1092 HydrophobicContact CG1-CG1 4.1Å; V1075-I1092 HydrophobicContact CG2-CG1 4.11Å; V1075-L1106 HydrophobicContact CG1-CD2 4.22Å
1076H86.1Confident71.4Confident21 Ų2157.6 Ų57.610%0.09732%0.322CS..EExtended strand (participates in β ladder)trans-131.9130.7-171.2-176.851.2000111.3C266 Q268 R1090 Y1091 F1093C266-H1076 HydrophobicContact CB-CB 3.89Å; C266-H1076 VanDerWaalsContact CB-CG 3.42Å; Q268-H1076 PolarHBondContact O-NE2 2.77Å; H1076-R1090 WeakPolarHBondContact O-CA 3.35Å; H1076-Y1091 PolarHBondContact N-O 2.92Å; H1076-Y1091 PolarHBondContact O-N 3.01Å; H1076-F1093 HydrophobicContact CB-CD2 4.26Å; H1076-F1093 HydrophobicContact CB-CE2 3.91Å
1077E79.5Confident70.4Confident31 Ų3160.2 Ų60.215%0.14533%0.333CS..EExtended strand (participates in β ladder)trans-92.4116.6170.2-54-156.6151.800109.3G1029 E1030 R1031 R1090G1029-E1077 VanDerWaalsContact CA-OE1 3.22Å; G1029-E1077 WeakPolarHBondContact CA-OE1 3.43Å; E1030-E1077 PolarHBondContact N-OE1 3.11Å; E1030-E1077 PolarHBondContact N-OE2 2.81Å; R1031-E1077 PolarHBondContact N-OE2 3.44Å; E1077-R1090 HydrophobicContact CG-CG 4.19Å; E1077-R1090 IonicContact OE1-CZ 2.66Å; E1077-R1090 IonicContact OE1-NE 3.17Å; E1077-R1090 PolarHBondContact OE1-NE 3.35Å; E1077-R1090 IonicContact OE1-NH2 3.94Å; E1077-R1090 PolarHBondContact OE1-NH2 2.84Å
1078H71.7Confident69.5Low16 Ų1652.5 Ų52.57%0.07431%0.307CS..EExtended strand (participates in β ladder)trans-107.1109.2178.1-174.5-65.7000110.3Q268 G1080 R1089 Y1091Q268-H1078 PolarHBondContact O-CD2 2.85Å; H1078-G1080 PolarHBondContact O-N 2.75Å; H1078-R1089 PolarHBondContact N-O 2.78Å; H1078-R1089 PolarHBondContact O-N 3.19Å; H1078-Y1091 HydrophobicContact CB-CD2 4.09Å; H1078-Y1091 HydrophobicContact CB-CE2 4.07Å
1079D64.3Low69Low77 Ų7754.9 Ų54.941%0.41231%0.313SS..  trans-60.5118.8169-75.1-38.3000110.8R1031R1031-D1079 IonicContact CZ-OD1 2.85Å; R1031-D1079 IonicContact CZ-OD2 3.96Å; R1031-D1079 VanDerWaalsContact CZ-OD2 3.3Å; R1031-D1079 IonicContact NH1-OD1 3.6Å; R1031-D1079 PolarHBondContact NH1-OD1 2.9Å; R1031-D1079 IonicContact NH1-OD2 2.82Å; R1031-D1079 PolarHBondContact NH1-OD2 2.82Å; R1031-D1079 IonicContact NH2-OD1 3.42Å; R1031-D1079 IonicContact NH2-OD2 3.55Å; R1031-D1079 PolarHBondContact NH2-OD2 2.86Å
1080G52.3Low68.7Low31 Ų3153.7 Ų53.732%0.3230%0.304SS..  trans-60.1144.3171.500000110.9H1078 N1082H1078-G1080 PolarHBondContact O-N 2.75Å; G1080-N1082 PolarHBondContact O-N 2.85Å
1081F49.4Very low68.6Low131 Ų13154.2 Ų54.258%0.57531%0.306SS*.SBendtrans-5787.3-171.6-72.7-81.7000114.6D286 R1083D286-F1081 WeakPolarHBondContact OD2-CE2 3.14Å; F1081-R1083 PolarHBondContact O-N 2.82Å
1082N45.7Very low68.6Low168 Ų16852.9 Ų52.990%0.89830%0.297SS*.SBendtrans45.818.1166.3-74.26.8000117.8G1080 V1084G1080-N1082 PolarHBondContact O-N 2.85Å; N1082-V1084 PolarHBondContact O-N 3.47Å
1083R44.2Very low68.6Low114 Ų11452.9 Ų52.943%0.4330%0.297SS..  trans-81.2118174.1-72.1-170.8179.2-151.3-1.8109.2F1081 G1085 A1086F1081-R1083 PolarHBondContact O-N 2.82Å; R1083-G1085 PolarHBondContact O-N 2.82Å; R1083-G1085 VanDerWaalsContact O-N 3.15Å; R1083-A1086 HydrophobicContact CB-CB 4.1Å; R1083-A1086 WeakPolarHBondContact O-CB 3.4Å; R1083-A1086 PolarHBondContact O-N 2.77Å
1084V39.9Very low68.6Low159 Ų15952.8 Ų52.896%0.96430%0.297SS*.THydrogen-bonded Turntrans-54.9118.7173.6-1790000108.9N1082N1082-V1084 PolarHBondContact O-N 3.47Å
1085G42.6Very low68.7Low75 Ų7551.8 Ų51.877%0.77329%0.29SS*.THydrogen-bonded Turntrans91.54.2-178.700000116.5R1083R1083-G1085 PolarHBondContact O-N 2.82Å; R1083-G1085 VanDerWaalsContact O-N 3.15Å
1086A47.9Very low68.9Low49 Ų4950.7 Ų50.741%0.40528%0.284SS..PPolyproline II helixtrans-80126.3170.100000111.2R1083R1083-A1086 HydrophobicContact CB-CB 4.1Å; R1083-A1086 WeakPolarHBondContact O-CB 3.4Å; R1083-A1086 PolarHBondContact O-N 2.77Å
1087H55.7Low69.1Low87 Ų8752.2 Ų52.240%0.40330%0.297SS..PPolyproline II helixtrans-66.2142.9173.9-58.8120.4000111.5E70E70-H1087 IonicContact OE1-CE1 2.79Å; E70-H1087 IonicContact OE1-CG 3.54Å; E70-H1087 IonicContact OE1-ND1 3.5Å; E70-H1087 PolarHBondContact OE1-ND1 3.34Å; E70-H1087 IonicContact OE2-ND1 3.52Å
1088P62.5Low69.4Low24 Ų2452.9 Ų52.916%0.15630%0.301CS..PPolyproline II helixtrans-66.7139.4172.130-33.4000109.9E1032 T1107E1032-P1088 HydrophobicContact CG-CG 4.29Å; P1088-T1107 PolarHBondContact O-OG1 2.86Å
1089R73.3Confident70.2Confident67 Ų6752.1 Ų52.125%0.25330%0.298SS..EExtended strand (participates in β ladder)trans-93133.7178.4-72.1-168.1176.9-167.4-2.2111.1S69 H1078 Y1091 D1105 T1107S69-R1089 PolarHBondContact O-NH2 2.88Å; S69-R1089 VanDerWaalsContact O-NH2 3.09Å; H1078-R1089 PolarHBondContact N-O 2.78Å; H1078-R1089 PolarHBondContact O-N 3.19Å; R1089-Y1091 HydrophobicContact CB-CD2 4.45Å; R1089-Y1091 HydrophobicContact CB-CE2 3.88Å; R1089-Y1091 WeakPolarHBondContact CD-OH 3.48Å; R1089-Y1091 PolarHBondContact NH1-OH 3.15Å; R1089-D1105 IonicContact NH1-OD2 3.14Å; R1089-T1107 WeakPolarHBondContact CA-OG1 3.14Å
1090R82.8Confident71.4Confident4 Ų448.8 Ų48.82%0.01528%0.28CS..EExtended strand (participates in β ladder)trans-100.3116.7174.2-71.5172.9160.2-167.5-6108.2G1029 V1034 H1076 E1077 L1106 T1107 L1110G1029-R1090 VanDerWaalsContact CA-NH2 3.34Å; V1034-R1090 PolarHBondContact O-NH1 2.82Å; V1034-R1090 PolarHBondContact O-NH2 3.02Å; H1076-R1090 WeakPolarHBondContact O-CA 3.35Å; E1077-R1090 HydrophobicContact CG-CG 4.19Å; E1077-R1090 IonicContact OE1-CZ 2.66Å; E1077-R1090 IonicContact OE1-NE 3.17Å; E1077-R1090 PolarHBondContact OE1-NE 3.35Å; E1077-R1090 IonicContact OE1-NH2 3.94Å; E1077-R1090 PolarHBondContact OE1-NH2 2.84Å; R1090-L1106 HydrophobicContact CB-CB 4.03Å; R1090-L1106 HydrophobicContact CB-CD2 4.25Å; R1090-L1106 HydrophobicContact CB-CG 4.35Å; R1090-L1106 WeakPolarHBondContact O-CA 3.33Å; R1090-L1106 WeakPolarHBondContact O-CB 3.3Å; R1090-L1106 PolarHBondContact O-N 3.04Å; R1090-T1107 PolarHBondContact N-OG1 3.41Å; R1090-L1110 VanDerWaalsContact NH1-CD1 3.28Å
1091Y86.8Confident73.2Confident10 Ų1047.3 Ų47.34%0.03927%0.265CS..EExtended strand (participates in β ladder)trans-110.4137.8175.8-65.5-64.3000110.3H114 V1075 H1076 H1078 R1089 V1103 W1104 D1105H114-Y1091 AromaticContact CD2-CE1 3.98Å; H114-Y1091 AromaticContact CE1-CE1 3.84Å; H114-Y1091 AromaticContact CE1-CZ 3.91Å; H114-Y1091 PolarHBondContact CE1-OH 3.48Å; H114-Y1091 AromaticContact CG-CE1 3.85Å; H114-Y1091 AromaticContact ND1-CE1 3.76Å; H114-Y1091 AromaticContact NE2-CE1 3.97Å; H114-Y1091 AromaticContact NE2-CZ 3.97Å; V1075-Y1091 WeakPolarHBondContact CA-O 3.4Å; H1076-Y1091 PolarHBondContact N-O 2.92Å; H1076-Y1091 PolarHBondContact O-N 3.01Å; H1078-Y1091 HydrophobicContact CB-CD2 4.09Å; H1078-Y1091 HydrophobicContact CB-CE2 4.07Å; R1089-Y1091 HydrophobicContact CB-CD2 4.45Å; R1089-Y1091 HydrophobicContact CB-CE2 3.88Å; R1089-Y1091 WeakPolarHBondContact CD-OH 3.48Å; R1089-Y1091 PolarHBondContact NH1-OH 3.15Å; Y1091-V1103 HydrophobicContact CD1-CG1 4.25Å; Y1091-V1103 HydrophobicContact CG-CG1 4.43Å; Y1091-W1104 CarbonylContact C-O 3.5Å; Y1091-W1104 VanDerWaalsContact CA-O 3.29Å; Y1091-W1104 WeakPolarHBondContact CA-O 3.47Å; Y1091-D1105 HydrophobicContact CD1-CB 4.36Å; Y1091-D1105 HydrophobicContact CE1-CB 4.21Å
1092I91Very high75.1Confident0 Ų041.1 Ų41.10%024%0.238CC..EExtended strand (participates in β ladder)trans-100.7124.3164.1-58.9174.2000107.1V1038 V1050 I1062 T1074 V1075 T1094 V1103 W1104 L1106V1038-I1092 HydrophobicContact CG2-CD1 4.43Å; V1050-I1092 HydrophobicContact CG2-CD1 3.78Å; I1062-I1092 HydrophobicContact CD1-CB 4.07Å; I1062-I1092 HydrophobicContact CD1-CD1 3.71Å; I1062-I1092 HydrophobicContact CD1-CG1 4.48Å; I1062-I1092 HydrophobicContact CD1-CG2 3.79Å; T1074-I1092 WeakPolarHBondContact O-CA 3.47Å; V1075-I1092 HydrophobicContact CG1-CG1 4.1Å; V1075-I1092 HydrophobicContact CG2-CG1 4.11Å; I1092-T1094 HydrophobicContact CG2-CG2 4.16Å; I1092-V1103 WeakPolarHBondContact O-CA 3.29Å; I1092-W1104 HydrophobicContact CB-CB 4.34Å; I1092-W1104 PolarHBondContact N-O 3.23Å; I1092-W1104 PolarHBondContact O-N 3.35Å; I1092-L1106 HydrophobicContact CD1-CB 4.31Å; I1092-L1106 HydrophobicContact CD1-CD1 4.26Å; I1092-L1106 HydrophobicContact CD1-CD2 4.05Å; I1092-L1106 HydrophobicContact CD1-CG 4.42Å; I1092-L1106 HydrophobicContact CG1-CB 4.25Å; I1092-L1106 HydrophobicContact CG1-CD2 4.21Å
1093F92.1Very high77.2Confident0 Ų033.1 Ų33.10%020%0.195CC..EExtended strand (participates in β ladder)trans-100.4133.7170.4-63.1-100000108L264 M271 W290 F1073 T1074 H1076 V1103L264-F1093 HydrophobicContact CD1-CB 4.03Å; M271-F1093 HydrophobicContact CE-CD1 4.49Å; M271-F1093 HydrophobicContact SD-CB 4.47Å; M271-F1093 HydrophobicContact SD-CD1 3.39Å; M271-F1093 WeakPolarHBondContact SD-CD1 3.37Å; M271-F1093 HydrophobicContact SD-CE1 3.85Å; M271-F1093 HydrophobicContact SD-CG 4.08Å; W290-F1093 HydrophobicContact CD2-CE1 4.32Å; W290-F1093 AromaticContact CE2-CE1 3.74Å; W290-F1093 AromaticContact CE2-CZ 3.85Å; W290-F1093 HydrophobicContact CH2-CE1 4.33Å; W290-F1093 HydrophobicContact CH2-CZ 4.1Å; W290-F1093 AromaticContact CZ2-CE1 3.78Å; W290-F1093 HydrophobicContact CZ2-CE1 3.78Å; W290-F1093 AromaticContact CZ2-CZ 3.46Å; W290-F1093 HydrophobicContact CZ2-CZ 3.46Å; W290-F1093 VanDerWaalsContact CZ2-CZ 3.46Å; W290-F1093 AromaticContact NE1-CE1 3.99Å; F1073-F1093 CarbonylContact C-O 3.52Å; F1073-F1093 WeakPolarHBondContact CA-O 3.42Å; F1073-F1093 WeakPolarHBondContact CB-O 3.47Å; T1074-F1093 HydrophobicContact CG2-CB 4.05Å; T1074-F1093 HydrophobicContact CG2-CD2 4.43Å; T1074-F1093 PolarHBondContact N-O 2.92Å; T1074-F1093 PolarHBondContact O-N 3.16Å; H1076-F1093 HydrophobicContact CB-CD2 4.26Å; H1076-F1093 HydrophobicContact CB-CE2 3.91Å; F1093-V1103 HydrophobicContact CD1-CB 4.31Å; F1093-V1103 HydrophobicContact CD1-CG1 3.93Å; F1093-V1103 HydrophobicContact CD1-CG2 3.55Å; F1093-V1103 HydrophobicContact CE1-CB 4.31Å; F1093-V1103 HydrophobicContact CE1-CG1 3.64Å; F1093-V1103 HydrophobicContact CE1-CG2 3.64Å; F1093-V1103 HydrophobicContact CE2-CG1 4.44Å; F1093-V1103 HydrophobicContact CG-CG1 4.43Å; F1093-V1103 HydrophobicContact CZ-CG1 3.91Å
1094T93.4Very high79.2Confident0 Ų027.7 Ų27.70%018%0.175CC..EExtended strand (participates in β ladder)trans-123.9123.1177.249.50000108.3L1048 I1070 S1072 F1073 I1092 H1096 I1101 Q1102 W1104L1048-T1094 HydrophobicContact CD1-CG2 3.62Å; I1070-T1094 HydrophobicContact CD1-CG2 4.41Å; I1070-T1094 HydrophobicContact CG2-CG2 4.18Å; S1072-T1094 CarbonylContact O-C 3.51Å; S1072-T1094 WeakPolarHBondContact O-CA 3.41Å; F1073-T1094 HydrophobicContact CB-CG2 4.13Å; I1092-T1094 HydrophobicContact CG2-CG2 4.16Å; T1094-H1096 VanDerWaalsContact C-NE2 3.34Å; T1094-H1096 WeakPolarHBondContact CB-NE2 3.32Å; T1094-H1096 PolarHBondContact O-CD2 3.26Å; T1094-H1096 PolarHBondContact O-NE2 3.45Å; T1094-H1096 PolarHBondContact OG1-NE2 3.25Å; T1094-I1101 CarbonylContact O-C 3.6Å; T1094-I1101 VanDerWaalsContact O-CA 3.3Å; T1094-I1101 WeakPolarHBondContact O-CA 3.41Å; T1094-Q1102 PolarHBondContact N-O 3.3Å; T1094-Q1102 PolarHBondContact O-N 3.33Å; T1094-Q1102 WeakPolarHBondContact OG1-CB 3.49Å; T1094-Q1102 PolarHBondContact OG1-O 3.24Å; T1094-W1104 PolarHBondContact OG1-NE1 3.31Å
1095G92.7Very high81.2Confident0 Ų020.3 Ų20.30%013%0.13CC..EExtended strand (participates in β ladder)trans-103.5142.1175.600000109.4I1070 S1071 S1072 T1100I1070-G1095 CarbonylContact C-O 3.49Å; S1071-G1095 PolarHBondContact N-O 2.82Å; S1071-G1095 PolarHBondContact OG-O 3.35Å; S1072-G1095 PolarHBondContact N-O 2.87Å; S1072-G1095 PolarHBondContact O-N 2.84Å; S1072-G1095 VanDerWaalsContact O-O 3.1Å; G1095-T1100 WeakPolarHBondContact CA-O 3.48Å
1096H92.6Very high83.2Confident0 Ų016.8 Ų16.80%09%0.093CC..EExtended strand (participates in β ladder)trans-121.3161.9-162.4-65.1-90.6000113.7V261 S1064 S1068 I1070 S1071 T1094 N1098 G1099 T1100 Q1102V261-H1096 PolarHBondContact N-O 3.14Å; V261-H1096 VanDerWaalsContact N-O 3.09Å; S1064-H1096 VanDerWaalsContact CA-CE1 3.45Å; S1064-H1096 WeakPolarHBondContact CA-CE1 3.48Å; S1064-H1096 WeakPolarHBondContact CB-CE1 3.48Å; S1064-H1096 PolarHBondContact OG-CE1 3.32Å; S1064-H1096 PolarHBondContact OG-ND1 2.79Å; S1068-H1096 WeakPolarHBondContact OG-CB 3.29Å; S1068-H1096 PolarHBondContact OG-ND1 3.47Å; I1070-H1096 WeakPolarHBondContact CG1-CE1 3.46Å; S1071-H1096 WeakPolarHBondContact OG-CA 3.35Å; S1071-H1096 PolarHBondContact OG-N 3.36Å; S1071-H1096 PolarHBondContact OG-O 2.89Å; T1094-H1096 VanDerWaalsContact C-NE2 3.34Å; T1094-H1096 WeakPolarHBondContact CB-NE2 3.32Å; T1094-H1096 PolarHBondContact O-CD2 3.26Å; T1094-H1096 PolarHBondContact O-NE2 3.45Å; T1094-H1096 PolarHBondContact OG1-NE2 3.25Å; H1096-N1098 WeakPolarHBondContact CB-OD1 3.16Å; H1096-N1098 PolarHBondContact O-N 3.14Å; H1096-G1099 PolarHBondContact O-N 3.43Å; H1096-T1100 WeakPolarHBondContact CB-OG1 3.44Å; H1096-T1100 PolarHBondContact CD2-O 2.96Å; H1096-T1100 PolarHBondContact N-O 2.82Å; H1096-Q1102 PolarHBondContact CE1-OE1 3.12Å; H1096-Q1102 VanDerWaalsContact CE1-OE1 3.32Å; H1096-Q1102 WeakPolarHBondContact NE2-CB 3.42Å; H1096-Q1102 WeakPolarHBondContact NE2-CG 3.04Å; H1096-Q1102 PolarHBondContact NE2-N 3.42Å; H1096-Q1102 PolarHBondContact NE2-OE1 3.25Å
1097S90.5Very high84.7Confident54 Ų5414.8 Ų14.838%0.3788%0.076SC..THydrogen-bonded Turntrans-63.4-24.3-178.160.40000113.6S1069 G1099S1069-S1097 PolarHBondContact N-OG 3.06Å; S1069-S1097 PolarHBondContact O-N 3.31Å; S1069-S1097 PolarHBondContact O-OG 3.27Å; S1097-G1099 VanDerWaalsContact C-N 3.33Å
1098N86.3Confident85.4Confident44 Ų4412.9 Ų12.924%0.2357%0.071CC..THydrogen-bonded Turntrans-90.213.1173.964-1.8000113.3H258 D1066 H1096 T1100H258-N1098 VanDerWaalsContact CB-O 3.24Å; H258-N1098 WeakPolarHBondContact CB-O 3.43Å; D1066-N1098 PolarHBondContact OD2-ND2 2.74Å; H1096-N1098 WeakPolarHBondContact CB-OD1 3.16Å; H1096-N1098 PolarHBondContact O-N 3.14Å; N1098-T1100 VanDerWaalsContact C-N 3.27Å; N1098-T1100 PolarHBondContact O-N 2.7Å; N1098-T1100 WeakPolarHBondContact OD1-CG2 3.45Å; N1098-T1100 PolarHBondContact OD1-N 2.82Å; N1098-T1100 PolarHBondContact OD1-OG1 2.75Å
1099G88Confident85.8Confident0 Ų012 Ų120%07%0.065CC..SBendtrans76.63.1178.200000115.6S119 K259 H1096 S1097S119-G1099 WeakPolarHBondContact CA-O 3.37Å; K259-G1099 WeakPolarHBondContact O-CA 3.5Å; H1096-G1099 PolarHBondContact O-N 3.43Å; S1097-G1099 VanDerWaalsContact C-N 3.33Å
1100T88.8Confident86Confident7 Ų78.8 Ų8.84%0.0435%0.053CC..  trans-79.4161176.374.20000111.5Y116 M117 V261 D1066 G1095 H1096 N1098Y116-T1100 HydrophobicContact CE1-CG2 4.32Å; M117-T1100 CarbonylContact O-C 3.59Å; M117-T1100 WeakPolarHBondContact O-CA 3.34Å; V261-T1100 WeakPolarHBondContact CG2-O 3.38Å; D1066-T1100 PolarHBondContact OD2-OG1 2.85Å; G1095-T1100 WeakPolarHBondContact CA-O 3.48Å; H1096-T1100 WeakPolarHBondContact CB-OG1 3.44Å; H1096-T1100 PolarHBondContact CD2-O 2.96Å; H1096-T1100 PolarHBondContact N-O 2.82Å; N1098-T1100 VanDerWaalsContact C-N 3.27Å; N1098-T1100 PolarHBondContact O-N 2.7Å; N1098-T1100 WeakPolarHBondContact OD1-CG2 3.45Å; N1098-T1100 PolarHBondContact OD1-N 2.82Å; N1098-T1100 PolarHBondContact OD1-OG1 2.75Å
1101I91.7Very high85.4Confident1 Ų111 Ų111%0.0057%0.065CC..EExtended strand (participates in β ladder)trans-129.2124.6171.6-49.5166.5000108.8M117 V261 L264 M271 A273 F282 T1094M117-I1101 HydrophobicContact CB-CB 4.19Å; M117-I1101 HydrophobicContact CE-CB 4.03Å; M117-I1101 HydrophobicContact CE-CG2 3.85Å; M117-I1101 PolarHBondContact N-O 3.4Å; M117-I1101 PolarHBondContact O-N 3.36Å; V261-I1101 HydrophobicContact CG1-CG1 4.46Å; V261-I1101 HydrophobicContact CG2-CG1 4.01Å; L264-I1101 HydrophobicContact CD1-CG2 4.38Å; L264-I1101 HydrophobicContact CD2-CD1 4Å; L264-I1101 HydrophobicContact CD2-CG1 4.38Å; L264-I1101 HydrophobicContact CD2-CG2 4.21Å; M271-I1101 HydrophobicContact CE-CD1 3.69Å; M271-I1101 HydrophobicContact CE-CG2 4.13Å; M271-I1101 HydrophobicContact SD-CG2 4.23Å; A273-I1101 HydrophobicContact CB-CD1 3.51Å; F282-I1101 HydrophobicContact CD2-CD1 4.47Å; F282-I1101 HydrophobicContact CE2-CD1 3.77Å; F282-I1101 HydrophobicContact CZ-CD1 3.97Å; T1094-I1101 CarbonylContact O-C 3.6Å; T1094-I1101 VanDerWaalsContact O-CA 3.3Å; T1094-I1101 WeakPolarHBondContact O-CA 3.41Å
1102Q89.4Confident84.3Confident0 Ų014 Ų140%08%0.082CC..EExtended strand (participates in β ladder)trans-114.6137.4-178.8-66.3172.526.900109.8F113 A115 Y116 S1064 D1066 T1094 H1096 W1104F113-Q1102 HydrophobicContact CE2-CB 3.99Å; F113-Q1102 HydrophobicContact CE2-CG 4.29Å; A115-Q1102 WeakPolarHBondContact O-CA 3.15Å; Y116-Q1102 HydrophobicContact CD2-CG 3.85Å; Y116-Q1102 HydrophobicContact CE2-CG 4.15Å; S1064-Q1102 PolarHBondContact OG-NE2 3.11Å; S1064-Q1102 PolarHBondContact OG-OE1 3.05Å; D1066-Q1102 VanDerWaalsContact CG-NE2 3.29Å; D1066-Q1102 PolarHBondContact OD1-NE2 3.47Å; D1066-Q1102 PolarHBondContact OD2-NE2 2.75Å; T1094-Q1102 PolarHBondContact N-O 3.3Å; T1094-Q1102 PolarHBondContact O-N 3.33Å; T1094-Q1102 WeakPolarHBondContact OG1-CB 3.49Å; T1094-Q1102 PolarHBondContact OG1-O 3.24Å; H1096-Q1102 PolarHBondContact CE1-OE1 3.12Å; H1096-Q1102 VanDerWaalsContact CE1-OE1 3.32Å; H1096-Q1102 WeakPolarHBondContact NE2-CB 3.42Å; H1096-Q1102 WeakPolarHBondContact NE2-CG 3.04Å; H1096-Q1102 PolarHBondContact NE2-N 3.42Å; H1096-Q1102 PolarHBondContact NE2-OE1 3.25Å; Q1102-W1104 HydrophobicContact CB-CZ2 4.42Å
1103V88.3Confident82.9Confident0 Ų016.9 Ų16.90%010%0.102CC..EExtended strand (participates in β ladder)trans-120.8136.4-172.7-167.20000111.4H114 A115 M117 Y1091 I1092 F1093H114-V1103 HydrophobicContact CB-CB 4.24Å; H114-V1103 HydrophobicContact CB-CG1 4.19Å; H114-V1103 WeakPolarHBondContact CB-O 3.38Å; H114-V1103 PolarHBondContact N-O 2.96Å; A115-V1103 HydrophobicContact CB-CB 4.12Å; A115-V1103 HydrophobicContact CB-CG2 3.98Å; A115-V1103 PolarHBondContact N-O 2.86Å; A115-V1103 PolarHBondContact O-N 2.97Å; M117-V1103 HydrophobicContact CE-CG2 3.35Å; Y1091-V1103 HydrophobicContact CD1-CG1 4.25Å; Y1091-V1103 HydrophobicContact CG-CG1 4.43Å; I1092-V1103 WeakPolarHBondContact O-CA 3.29Å; F1093-V1103 HydrophobicContact CD1-CB 4.31Å; F1093-V1103 HydrophobicContact CD1-CG1 3.93Å; F1093-V1103 HydrophobicContact CD1-CG2 3.55Å; F1093-V1103 HydrophobicContact CE1-CB 4.31Å; F1093-V1103 HydrophobicContact CE1-CG1 3.64Å; F1093-V1103 HydrophobicContact CE1-CG2 3.64Å; F1093-V1103 HydrophobicContact CE2-CG1 4.44Å; F1093-V1103 HydrophobicContact CG-CG1 4.43Å; F1093-V1103 HydrophobicContact CZ-CG1 3.91Å
1104W86.6Confident81.4Confident0 Ų022.1 Ų22.10%012%0.121CC..EExtended strand (participates in β ladder)trans-130.7131.8-171.3-51.289.4000111.2C108 L111 F113 I1062 H1063 V1065 Y1091 I1092 T1094 Q1102 L1106C108-W1104 HydrophobicContact CB-CZ3 4.5Å; L111-W1104 HydrophobicContact CB-CE3 4.39Å; F113-W1104 HydrophobicContact CB-CE3 4.35Å; F113-W1104 HydrophobicContact CB-CZ3 4.17Å; F113-W1104 HydrophobicContact CD2-CD2 4.13Å; F113-W1104 AromaticContact CD2-CE3 3.93Å; F113-W1104 HydrophobicContact CD2-CE3 3.93Å; F113-W1104 AromaticContact CD2-CH2 3.72Å; F113-W1104 HydrophobicContact CD2-CH2 3.72Å; F113-W1104 AromaticContact CD2-CZ2 3.93Å; F113-W1104 HydrophobicContact CD2-CZ2 3.93Å; F113-W1104 AromaticContact CD2-CZ3 3.73Å; F113-W1104 HydrophobicContact CD2-CZ3 3.73Å; F113-W1104 HydrophobicContact CE2-CH2 4.28Å; F113-W1104 HydrophobicContact CE2-CZ2 4.13Å; F113-W1104 HydrophobicContact CG-CZ3 4.42Å; I1062-W1104 HydrophobicContact CD1-CB 4.37Å; I1062-W1104 HydrophobicContact CD1-CG 4.11Å; I1062-W1104 HydrophobicContact CG1-CD2 4.42Å; I1062-W1104 HydrophobicContact CG1-CG 4.38Å; I1062-W1104 HydrophobicContact CG2-CD2 3.88Å; I1062-W1104 VanDerWaalsContact CG2-CE2 3.45Å; I1062-W1104 HydrophobicContact CG2-CE3 4.41Å; I1062-W1104 HydrophobicContact CG2-CG 4.32Å; I1062-W1104 HydrophobicContact CG2-CH2 4.23Å; I1062-W1104 HydrophobicContact CG2-CZ2 3.67Å; H1063-W1104 WeakPolarHBondContact O-CH2 3.11Å; H1063-W1104 VanDerWaalsContact O-CZ2 3.25Å; H1063-W1104 WeakPolarHBondContact O-CZ2 2.99Å; V1065-W1104 HydrophobicContact CG2-CH2 3.57Å; V1065-W1104 HydrophobicContact CG2-CZ2 3.92Å; Y1091-W1104 CarbonylContact C-O 3.5Å; Y1091-W1104 VanDerWaalsContact CA-O 3.29Å; Y1091-W1104 WeakPolarHBondContact CA-O 3.47Å; I1092-W1104 HydrophobicContact CB-CB 4.34Å; I1092-W1104 PolarHBondContact N-O 3.23Å; I1092-W1104 PolarHBondContact O-N 3.35Å; T1094-W1104 PolarHBondContact OG1-NE1 3.31Å; Q1102-W1104 HydrophobicContact CB-CZ2 4.42Å; W1104-L1106 PolarHBondContact O-N 3.07Å
1105D82.6Confident79.4Confident5 Ų526.4 Ų26.43%0.02715%0.148CC..EExtended strand (participates in β ladder)trans-85.3104.6176.3-175.8-47.7000110.7L111 L112 R1089 Y1091 T1107 T1108L111-D1105 VanDerWaalsContact CD2-O 3.23Å; L111-D1105 WeakPolarHBondContact CD2-O 3.31Å; L112-D1105 HydrophobicContact CB-CB 4.25Å; L112-D1105 HydrophobicContact CD2-CB 4.34Å; L112-D1105 PolarHBondContact O-N 3.07Å; R1089-D1105 IonicContact NH1-OD2 3.14Å; Y1091-D1105 HydrophobicContact CD1-CB 4.36Å; Y1091-D1105 HydrophobicContact CE1-CB 4.21Å; D1105-T1107 PolarHBondContact OD1-N 2.99Å; D1105-T1107 VanDerWaalsContact OD1-N 3.14Å; D1105-T1108 PolarHBondContact OD1-N 2.67Å; D1105-T1108 VanDerWaalsContact OD1-N 3.09Å; D1105-T1108 PolarHBondContact OD1-OG1 2.97Å
1106L84.3Confident76.9Confident0 Ų029.8 Ų29.80%018%0.183CC..Hα-helixtrans-80.3-24.8179.7176.764.3000112.8L111 V1036 V1050 V1075 R1090 I1092 W1104 T1108 A1109 L1110L111-L1106 HydrophobicContact CD2-CB 4.36Å; L111-L1106 HydrophobicContact CD2-CD1 4.03Å; V1036-L1106 HydrophobicContact CG2-CD2 4.06Å; V1050-L1106 HydrophobicContact CG1-CD1 4.05Å; V1075-L1106 HydrophobicContact CG1-CD2 4.22Å; R1090-L1106 HydrophobicContact CB-CB 4.03Å; R1090-L1106 HydrophobicContact CB-CD2 4.25Å; R1090-L1106 HydrophobicContact CB-CG 4.35Å; R1090-L1106 WeakPolarHBondContact O-CA 3.33Å; R1090-L1106 WeakPolarHBondContact O-CB 3.3Å; R1090-L1106 PolarHBondContact O-N 3.04Å; I1092-L1106 HydrophobicContact CD1-CB 4.31Å; I1092-L1106 HydrophobicContact CD1-CD1 4.26Å; I1092-L1106 HydrophobicContact CD1-CD2 4.05Å; I1092-L1106 HydrophobicContact CD1-CG 4.42Å; I1092-L1106 HydrophobicContact CG1-CB 4.25Å; I1092-L1106 HydrophobicContact CG1-CD2 4.21Å; W1104-L1106 PolarHBondContact O-N 3.07Å; L1106-T1108 PolarHBondContact O-N 2.77Å; L1106-A1109 PolarHBondContact O-N 3.28Å; L1106-L1110 HydrophobicContact CD1-CD1 4.47Å; L1106-L1110 HydrophobicContact CD1-CD2 4.41Å; L1106-L1110 HydrophobicContact CD1-CG 4.03Å; L1106-L1110 HydrophobicContact CD2-CD1 4.1Å; L1106-L1110 HydrophobicContact CG-CD1 3.8Å; L1106-L1110 HydrophobicContact CG-CG 3.87Å; L1106-L1110 WeakPolarHBondContact O-CG 3.24Å; L1106-L1110 PolarHBondContact O-N 3.11Å
1107T79.1Confident74Confident8 Ų832.9 Ų32.95%0.04920%0.204CC..Hα-helixtrans-58.2-36.3179-67.90000111.3P1088 R1089 R1090 D1105 L1110 N1111P1088-T1107 PolarHBondContact O-OG1 2.86Å; R1089-T1107 WeakPolarHBondContact CA-OG1 3.14Å; R1090-T1107 PolarHBondContact N-OG1 3.41Å; D1105-T1107 PolarHBondContact OD1-N 2.99Å; D1105-T1107 VanDerWaalsContact OD1-N 3.14Å; T1107-L1110 PolarHBondContact O-N 2.83Å; T1107-N1111 WeakPolarHBondContact O-CB 3.4Å; T1107-N1111 PolarHBondContact O-N 3.36Å
1108T70.4Confident71.1Confident46 Ų4633.5 Ų33.528%0.28222%0.219SC..Hα-helixtrans-59.6-53.7176.6-55.20000112.3D1105 L1106 L1110 N1111 L1112D1105-T1108 PolarHBondContact OD1-N 2.67Å; D1105-T1108 VanDerWaalsContact OD1-N 3.09Å; D1105-T1108 PolarHBondContact OD1-OG1 2.97Å; L1106-T1108 PolarHBondContact O-N 2.77Å; T1108-L1110 VanDerWaalsContact C-N 3.34Å; T1108-L1110 PolarHBondContact O-N 2.85Å; T1108-N1111 PolarHBondContact O-N 3.42Å; T1108-L1112 HydrophobicContact CG2-CD1 4.38Å; T1108-L1112 WeakPolarHBondContact O-CG 3.47Å; T1108-L1112 PolarHBondContact O-N 2.85Å; T1108-L1112 VanDerWaalsContact O-N 3.12Å
1109A72Confident68.5Low5 Ų537.3 Ų37.34%0.04124%0.239CC..Hα-helixtrans-66.5-33.6178.800000112.9L111 I1059 C1060 L1106 S1113L111-A1109 HydrophobicContact CD2-CB 3.53Å; L111-A1109 HydrophobicContact CG-CB 4.23Å; I1059-A1109 HydrophobicContact CG2-CB 4.28Å; C1060-A1109 HydrophobicContact CB-CB 4.25Å; L1106-A1109 PolarHBondContact O-N 3.28Å; A1109-S1113 WeakPolarHBondContact O-CB 3.4Å; A1109-S1113 PolarHBondContact O-N 3.34Å
1110L76.5Confident65.6Low1 Ų142.9 Ų42.91%0.00528%0.275CS..Hα-helixtrans-66.6-41.5175.8-70.9179.4000112.4V1034 V1036 I1059 R1090 L1106 T1107 T1108 S1113 R1114V1034-L1110 HydrophobicContact CG1-CD2 3.8Å; V1036-L1110 HydrophobicContact CG1-CD2 3.97Å; I1059-L1110 HydrophobicContact CD1-CD2 3.81Å; R1090-L1110 VanDerWaalsContact NH1-CD1 3.28Å; L1106-L1110 HydrophobicContact CD1-CD1 4.47Å; L1106-L1110 HydrophobicContact CD1-CD2 4.41Å; L1106-L1110 HydrophobicContact CD1-CG 4.03Å; L1106-L1110 HydrophobicContact CD2-CD1 4.1Å; L1106-L1110 HydrophobicContact CG-CD1 3.8Å; L1106-L1110 HydrophobicContact CG-CG 3.87Å; L1106-L1110 WeakPolarHBondContact O-CG 3.24Å; L1106-L1110 PolarHBondContact O-N 3.11Å; T1107-L1110 PolarHBondContact O-N 2.83Å; T1108-L1110 VanDerWaalsContact C-N 3.34Å; T1108-L1110 PolarHBondContact O-N 2.85Å; L1110-S1113 WeakPolarHBondContact O-CB 3.26Å; L1110-S1113 PolarHBondContact O-N 2.92Å; L1110-S1113 PolarHBondContact O-OG 2.93Å; L1110-R1114 WeakPolarHBondContact O-CG 3.36Å; L1110-R1114 PolarHBondContact O-N 3.09Å
1111N69.6Low62.7Low50 Ų5044.6 Ų44.627%0.26729%0.294SS..Hα-helixtrans-67.5-40.4177-74.4-12.5000111.7T1107 T1108 S1113 R1114 T1115T1107-N1111 WeakPolarHBondContact O-CB 3.4Å; T1107-N1111 PolarHBondContact O-N 3.36Å; T1108-N1111 PolarHBondContact O-N 3.42Å; N1111-S1113 VanDerWaalsContact C-N 3.27Å; N1111-S1113 PolarHBondContact O-N 2.96Å; N1111-R1114 WeakPolarHBondContact O-CB 3.33Å; N1111-R1114 PolarHBondContact O-N 2.84Å; N1111-R1114 VanDerWaalsContact O-N 3.07Å; N1111-R1114 PolarHBondContact OD1-NH1 3.26Å; N1111-T1115 PolarHBondContact O-N 2.93Å
1112L64.4Low59.6Low74 Ų7450.8 Ų50.839%0.38734%0.335SS..Hα-helixtrans-58.4-37.5169.6-71.9165.7000112.4T1108 R1114 T1115T1108-L1112 HydrophobicContact CG2-CD1 4.38Å; T1108-L1112 WeakPolarHBondContact O-CG 3.47Å; T1108-L1112 PolarHBondContact O-N 2.85Å; T1108-L1112 VanDerWaalsContact O-N 3.12Å; L1112-R1114 VanDerWaalsContact C-N 3.26Å; L1112-R1114 PolarHBondContact O-N 2.91Å; L1112-T1115 PolarHBondContact O-N 2.66Å; L1112-T1115 PolarHBondContact O-OG1 2.78Å
1113S62.5Low56.5Low60 Ų6057.6 Ų57.642%0.4237%0.37SS..Hα-helixtrans-68.3-22.9176.583.50000113.9A1109 L1110 N1111A1109-S1113 WeakPolarHBondContact O-CB 3.4Å; A1109-S1113 PolarHBondContact O-N 3.34Å; L1110-S1113 WeakPolarHBondContact O-CB 3.26Å; L1110-S1113 PolarHBondContact O-N 2.92Å; L1110-S1113 PolarHBondContact O-OG 2.93Å; N1111-S1113 VanDerWaalsContact C-N 3.27Å; N1111-S1113 PolarHBondContact O-N 2.96Å
1114R60.7Low53.5Low109 Ų10966.2 Ų66.241%0.41141%0.413SS..Hα-helixtrans-81.1-32.3177.7-72.1172.6171.8134.41.5112.9E1032 L1110 N1111 L1112 G1116E1032-R1114 VanDerWaalsContact CB-NH2 3.26Å; E1032-R1114 PolarHBondContact O-NH2 2.86Å; E1032-R1114 VanDerWaalsContact O-NH2 3.08Å; E1032-R1114 IonicContact OE2-CZ 3.19Å; E1032-R1114 VanDerWaalsContact OE2-CZ 3.26Å; E1032-R1114 IonicContact OE2-NH1 2.77Å; E1032-R1114 PolarHBondContact OE2-NH1 3.17Å; E1032-R1114 IonicContact OE2-NH2 2.74Å; E1032-R1114 PolarHBondContact OE2-NH2 3.18Å; L1110-R1114 WeakPolarHBondContact O-CG 3.36Å; L1110-R1114 PolarHBondContact O-N 3.09Å; N1111-R1114 WeakPolarHBondContact O-CB 3.33Å; N1111-R1114 PolarHBondContact O-N 2.84Å; N1111-R1114 VanDerWaalsContact O-N 3.07Å; N1111-R1114 PolarHBondContact OD1-NH1 3.26Å; L1112-R1114 VanDerWaalsContact C-N 3.26Å; L1112-R1114 PolarHBondContact O-N 2.91Å; R1114-G1116 VanDerWaalsContact C-N 3.28Å; R1114-G1116 PolarHBondContact O-N 3.03Å
1115T49.9Very low50.6Low90 Ų9071.8 Ų71.855%0.55245%0.447SS*.SBendtrans-80.2-3.6-176540000114.3N1111 L1112 S1117N1111-T1115 PolarHBondContact O-N 2.93Å; L1112-T1115 PolarHBondContact O-N 2.66Å; L1112-T1115 PolarHBondContact O-OG1 2.78Å; T1115-S1117 PolarHBondContact O-N 3.01Å; T1115-S1117 PolarHBondContact OG1-OG 3.11Å
1116G40.5Very low47.8Very low71 Ų7177.9 Ų77.973%0.73248%0.478SS*.  trans72.6-16.7177.700000115.3R1114 G1118R1114-G1116 VanDerWaalsContact C-N 3.28Å; R1114-G1116 PolarHBondContact O-N 3.03Å; G1116-G1118 VanDerWaalsContact C-N 3.31Å; G1116-G1118 PolarHBondContact O-N 2.94Å
1117S31Very low45.1Very low65 Ų6583.8 Ų83.846%0.45552%0.516SS..  trans-70.375.9174.9570000111.9T1115 L1119T1115-S1117 PolarHBondContact O-N 3.01Å; T1115-S1117 PolarHBondContact OG1-OG 3.11Å; S1117-L1119 PolarHBondContact O-N 2.96Å
1118G30.1Very low42.8Very low67 Ų6790.8 Ų90.869%0.69155%0.553SS**PPolyproline II helixtrans-66.9123.7170.500000110.9G1116G1116-G1118 VanDerWaalsContact C-N 3.31Å; G1116-G1118 PolarHBondContact O-N 2.94Å
1119L31.4Very low40.7Very low125 Ų12594.1 Ų94.165%0.65458%0.579SS**PPolyproline II helixtrans-58.1130.3164.6-92.1158.7000108.9S1117 G1121S1117-L1119 PolarHBondContact O-N 2.96Å; L1119-G1121 PolarHBondContact O-N 3.14Å
1120P27.6Very low38.7Very low117 Ų11798.8 Ų98.876%0.7661%0.611SS**PPolyproline II helixtrans-67.2116.2166.928.1-31.5000108.1
1121G28.1Very low36.5Very low43 Ų43105.1 Ų105.144%0.44365%0.65SS.*PPolyproline II helixtrans-57.9154167.600000110.4L1119 L1123L1119-G1121 PolarHBondContact O-N 3.14Å; G1121-L1123 VanDerWaalsContact C-N 3.28Å; G1121-L1123 PolarHBondContact O-N 3.47Å
1122P26.1Very low34.4Very low131 Ų131110.5 Ų110.585%0.85168%0.676SS**SBendtrans-72.275.5-166.529.4-36.9000113.7
1123L25.4Very low32.7Very low142 Ų142115.3 Ų115.374%0.74370%0.702SS**  trans-109.291160.9-93.9166.7000108.6G1121 T1125G1121-L1123 VanDerWaalsContact C-N 3.28Å; G1121-L1123 PolarHBondContact O-N 3.47Å; L1123-T1125 VanDerWaalsContact C-N 3.32Å; L1123-T1125 PolarHBondContact O-N 3.23Å
1124M23.7Very low31.1Very low182 Ų182117.5 Ų117.590%0.89771%0.712SS**  trans-66.588.2168.4-86.2-80.9-75.700110
1125T26Very low29.6Very low117 Ų117120.6 Ų120.672%0.71874%0.737SS**  trans-118.6114.7165.3-51.40000108.4L1123L1123-T1125 VanDerWaalsContact C-N 3.32Å; L1123-T1125 PolarHBondContact O-N 3.23Å
1126I25.4Very low28.6Very low132 Ų132119.4 Ų119.468%0.67774%0.743SS**  trans-64.2125.5-171.3-61.3164.2000110.2N1128I1126-N1128 PolarHBondContact O-N 3.34Å
1127P27.9Very low28Very low124 Ų124120.7 Ų120.781%0.80575%0.746SS**  trans-76.293.9172.330.8-32.7000109.6S1129P1127-S1129 PolarHBondContact O-N 2.91Å
1128N28.9Very low27.8Very low155 Ų155127.9 Ų127.983%0.82977%0.765SS**  trans-62130.3171-84.6-10.3000110.3I1126I1126-N1128 PolarHBondContact O-N 3.34Å
1129S27.9Very low27.5Very low116 Ų116132 Ų13281%0.81177%0.771SS**  trans-81.6137.3-167.456.60000114.3P1127P1127-S1129 PolarHBondContact O-N 2.91Å
1130S29.4Very low27.3Very low104 Ų104134.9 Ų134.973%0.72778%0.779SS**  trans-163.1143.5135.756.40000112.7
1131T29.4Very low27.2Very low133 Ų133134 Ų13482%0.81678%0.776SS**  trans52.798.3159.453.70000118.4
1132M26.4Very low27.1Very low164 Ų164140.2 Ų140.281%0.80879%0.793SS**  trans-65.8159.4149.1-70.1-176.7170.700111T1134M1132-T1134 HydrophobicContact SD-CG2 4.06Å
1133N28.6Very low27Very low175 Ų175142 Ų14294%0.93679%0.79SS**  trans-132.7135.8134.5-98.1-28.3000107.9
1134T28.9Very low26.9Very low105 Ų105142.1 Ų142.164%0.64479%0.79SS**  trans-108.3131.8-174.749.80000110.7M1132M1132-T1134 HydrophobicContact SD-CG2 4.06Å
1135D28.9Very low27Very low175 Ų175139.3 Ų139.394%0.93678%0.783SS**  trans-172.1132.6140.5-97.8-24.6000110
1136G29.3Very low27.1Very low65 Ų65138.5 Ų138.567%0.6778%0.782SS**  trans153.688.1-175.900000112.9Y1138G1136-Y1138 PolarHBondContact O-N 2.87Å
1137A27.2Very low27Very low97 Ų97141.5 Ų141.580%0.80279%0.786SS**  trans-72.3125.5-172.100000113.6N1139A1137-N1139 PolarHBondContact O-N 3.06Å
1138Y26.3Very low27.2Very low217 Ų217141.6 Ų141.685%0.85179%0.787SS**  trans-78.793.9168.9-86-96.7000111G1136 F1140G1136-Y1138 PolarHBondContact O-N 2.87Å; Y1138-F1140 PolarHBondContact O-N 2.71Å
1139N25.4Very low27.1Very low152 Ų152142.2 Ų142.281%0.81379%0.79SS**  trans-80.8101166.5-92.5-17.9000110.5A1137 S1141A1137-N1139 PolarHBondContact O-N 3.06Å; N1139-S1141 PolarHBondContact O-N 3.11Å; N1139-S1141 VanDerWaalsContact O-N 3.07Å
1140F25.4Very low27.1Very low186 Ų186140.1 Ų140.182%0.81679%0.787SS**  trans-77.680.8170.5-109.8-88.2000110.9Y1138Y1138-F1140 PolarHBondContact O-N 2.71Å
1141S25.7Very low26.9Very low100 Ų100143 Ų14370%0.69979%0.792SS**  trans-82.4110.8167.154.90000110.4N1139 E1143N1139-S1141 PolarHBondContact O-N 3.11Å; N1139-S1141 VanDerWaalsContact O-N 3.07Å; S1141-E1143 PolarHBondContact O-N 2.86Å
1142H26.4Very low26.9Very low173 Ų173144 Ų14480%0.80179%0.791SS**  trans-63.9100.4171.9-97.5-79.4000111.3I1144H1142-I1144 PolarHBondContact O-N 3.48Å
1143E23.8Very low27Very low168 Ų168143.3 Ų143.379%0.78579%0.791SS**  trans-80.9102.6158.6-78.3-156.1128.900109.9S1141 T1145S1141-E1143 PolarHBondContact O-N 2.86Å; E1143-T1145 VanDerWaalsContact C-N 3.31Å; E1143-T1145 HydrophobicContact CB-CG2 4.47Å; E1143-T1145 PolarHBondContact O-N 3.03Å; E1143-T1145 VanDerWaalsContact O-N 3.07Å
1144I24Very low26.9Very low145 Ų145142.9 Ų142.974%0.74479%0.789SS**  trans-77.985167.7-57.2174.8000107.3H1142 S1146H1142-I1144 PolarHBondContact O-N 3.48Å; I1144-S1146 VanDerWaalsContact C-N 3.34Å; I1144-S1146 PolarHBondContact O-N 2.95Å
1145T26.7Very low26.8Very low122 Ų122146 Ų14675%0.74880%0.798SS**  trans-70.791.2174.156.20000109.7E1143E1143-T1145 VanDerWaalsContact C-N 3.31Å; E1143-T1145 HydrophobicContact CB-CG2 4.47Å; E1143-T1145 PolarHBondContact O-N 3.03Å; E1143-T1145 VanDerWaalsContact O-N 3.07Å
1146S26.3Very low26.8Very low100 Ų100144.4 Ų144.470%0.69979%0.789SS**  trans-66.7139-176.651.10000113I1144I1144-S1146 VanDerWaalsContact C-N 3.34Å; I1144-S1146 PolarHBondContact O-N 2.95Å
1147Y24.8Very low26.6Very low196 Ų196145.8 Ų145.877%0.76979%0.789SS**  trans-63.8134.8166-68.4-91.6000110.1N1149Y1147-N1149 PolarHBondContact O-N 3.31Å
1148P30.4Very low26.6Very low126 Ų126151.9 Ų151.982%0.81879%0.793SS**  trans-76.387.8177.430.7-34.6000111.5
1149N27.8Very low26.7Very low167 Ų167145.7 Ų145.789%0.89380%0.795SS**  trans-66.8126.1157.3-80.2-41000108.6Y1147Y1147-N1149 PolarHBondContact O-N 3.31Å
1150G28.6Very low26.8Very low73 Ų73142.2 Ų142.275%0.75379%0.794SS**  trans-16228-164.500000118
1151I24.6Very low26.8Very low163 Ų163140.9 Ų140.984%0.83680%0.796SS**  trans-127.696.9163.7-56.3179.8000109.3
1152I28.4Very low27Very low156 Ų156143.4 Ų143.480%0.881%0.807SS**SBendtrans-159.8113.4147-95.8143.1000107.7
1153N29.5Very low26.9Very low149 Ų149143.6 Ų143.680%0.79781%0.811SS**  trans29.8114.6150.7-51.7-17.7000120.2
1154N25.8Very low26.9Very low166 Ų166142 Ų14289%0.88881%0.807SS**  trans-59.6132.3155.3-80-24.6000111.4
1155M27.8Very low27Very low170 Ų170143.4 Ų143.484%0.83781%0.813SS**  trans-147.3115.8136-96.3-154.2-86.900112
1156N27.9Very low26.9Very low142 Ų142144.4 Ų144.476%0.75981%0.812SS**  trans60.290143.4-56.3-13.1000121.4
1157S25Very low26.9Very low94 Ų94143.3 Ų143.366%0.65782%0.816SS**  86.3157.4112.5-153.60000121.5
1158Y28Very low26.9Very low225 Ų225138.1 Ų138.188%0.88281%0.814SS**  trans72.276.7165.2-61.8-67.3000120.3
1159G28Very low26.7Very low87 Ų87139.3 Ų139.390%0.89781%0.813SS**  82.9141.5107.200000120.2
1160G28.1Very low26.7Very low78 Ų78135.9 Ų135.980%0.80480%0.802SS**  trans152.896.8170.400000113.4
1161N26.4Very low26.6Very low159 Ų159140.2 Ų140.285%0.8581%0.808SS**  trans-88.5147.1176.7-54.2-34.4000111.1
1162T28.9Very low26.7Very low153 Ų153135.8 Ų135.894%0.93980%0.802SS**  -169.6161.4128.810.70000112.2
1163M24.8Very low26.6Very low176 Ų176135.8 Ų135.887%0.86780%0.803SS**  trans-105.7140.2-172.6-81.1-173.7-72.200114
1164L23.4Very low26.4Very low134 Ų134135.5 Ų135.570%0.70280%0.801SS**  14.4129.6121.8-173.9147.8000118.1
1165M26.8Very low26.4Very low176 Ų176132.7 Ų132.787%0.86779%0.786SS**  trans-143.1149.7145.2-86.8-57.2-71.800110
1166I23.1Very low26.6Very low143 Ų143132.3 Ų132.373%0.73378%0.782SS**  trans-117.9141.8178.6-62.1171.6000108.5
1167G27.3Very low26.5Very low77 Ų77129.5 Ų129.579%0.79477%0.773SS**  trans-152.4150.9174.100000110.5
1168A25.4Very low26.7Very low86 Ų86131.3 Ų131.371%0.71178%0.775SS**  trans-139.3174.6-164.600000113.9
1169N24.9Very low26.6Very low151 Ų151127.7 Ų127.781%0.80777%0.772SS**  trans103.6143.4154.9-60.1-23.8000120.7
1170S28.4Very low26.5Very low95 Ų95130 Ų13066%0.66477%0.768SS**  trans78.3118.8144.154.50000122
1171N26.9Very low26.3Very low165 Ų165133.6 Ų133.688%0.88276%0.764SS**  49136.5119.1-43.1-14.7000119.3
1172G26.4Very low26.2Very low69 Ų69133.7 Ų133.771%0.71176%0.762SS**  cis146.7179.70.200000112.1
1173L25.2Very low26Very low156 Ų156135.1 Ų135.182%0.81775%0.752SS**  trans71.8127.9162.4-72.7163.4000121
1174L25.4Very low26.2Very low144 Ų144132 Ų13275%0.75475%0.745SS**  trans72.3153.9147.4-58.7166.3000117.2
1175N27.5Very low26.4Very low106 Ų106132 Ų13257%0.56775%0.746SS**  cis-158.4163.12.6-138.4-18.1000113.2
1176H31.3Very low26.3Very low162 Ų162131.4 Ų131.475%0.7574%0.74SS**  trans61.1158.5155.9-59.8-41.8000120.2
1177S26.2Very low26.4Very low83 Ų83132.7 Ų132.758%0.5875%0.747SS**  cis-173.2167.2-31.557.50000110.5
1178N29.5Very low26.2Very low132 Ų132137.5 Ų137.571%0.70674%0.743SS**  trans79.5116172.5-47.9-41.1000114.7
1179N25.7Very low26.3Very low150 Ų150140.8 Ų140.880%0.80275%0.748SS**  65.912571.1-63.7-25.5000111.7
1180V25.6Very low26.3Very low135 Ų135139.1 Ų139.182%0.81874%0.739SS**  -145.6152.256.8160.80000113.2
1181Q22.9Very low26.3Very low153 Ų153141.7 Ų141.772%0.71575%0.745SS**  trans-100.5153.7169.6-62.9174.7-43.800112.3
1182I24.8Very low26.4Very low161 Ų161140.8 Ų140.883%0.82674%0.741SS**  trans-139.4131.4147.8-57.8-176.9000108.9
1183Y25Very low26.3Very low183 Ų183145.5 Ų145.572%0.71875%0.75SS**  trans-117.5164.7168.7-77.9-88.5000109.4
1184P29Very low26.3Very low110 Ų110146.5 Ų146.571%0.71475%0.75SS**  -149.2138.7108.935.1-17.8000117.4
1185N27.7Very low26.2Very low136 Ų136144.9 Ų144.973%0.72775%0.75SS**  41.8121.2124.1-49.3-24.9000120.1
1186H24.5Very low26Very low162 Ų162147 Ų14775%0.7576%0.76SS**  63.9110.470.4-82-66000116.5
1187I25.7Very low25.6Very low171 Ų171149.9 Ų149.988%0.87777%0.766SS**  trans-133.8131.4140.3-65-175.5000107.8
1188Y22.4Very low25.5Very low178 Ų178150.5 Ų150.570%0.69877%0.771SS**  trans-95.9153.2170-111.7-94.5000109.5
1189N26.4Very low25.2Very low155 Ų155148.8 Ų148.883%0.82977%0.765SS**  trans-146.9108.1144.8-15712.6000110.7
1190N25Very low25.2Very low116 Ų116147.5 Ų147.562%0.6276%0.758SS**  trans-76.2143.1166.1-77.6-22.7000108.7
1191N28.5Very low25.2Very low148 Ų148149.6 Ų149.679%0.79175%0.752SS**  trans-174.6165130-96.5-34.3000112.3
1192N29.6Very low25.3Very low146 Ų146148.4 Ų148.478%0.78174%0.742SS**  trans71.883.4169.6-57.3-13.3000116.7Q1194N1192-Q1194 PolarHBondContact O-N 3.14Å; N1192-Q1194 VanDerWaalsContact O-N 3.13Å
1193N24.5Very low25.4Very low169 Ų169148.9 Ų148.990%0.90474%0.741SS**  trans-54.8107.4146-73.4-26.7000109.8
1194Q24.5Very low25.4Very low177 Ų177143.6 Ų143.683%0.82774%0.742SS**  trans-169.1167.7154.9-114170.636.700111.2N1192N1192-Q1194 PolarHBondContact O-N 3.14Å; N1192-Q1194 VanDerWaalsContact O-N 3.13Å
1195C24.2Very low25.3Very low110 Ų110143.5 Ų143.574%0.74374%0.743SS**  trans71.1139.9173.3-58.60000117.1
1196L24.2Very low25.2Very low151 Ų151144.7 Ų144.779%0.79174%0.742SS**  cis-154.4135.8-15.2-120.9168.4000109.3
1197Y21.1Very low25.3Very low221 Ų221144.4 Ų144.487%0.86774%0.744SS**  trans-82.6119.8160.6-100.4-94.5000108.5
1198S24.4Very low25.4Very low97 Ų97139.8 Ų139.868%0.67874%0.738SS**  trans-167.4113.7153.6-145.60000103.8
1199T23.4Very low25.6Very low96 Ų96134.6 Ų134.659%0.58974%0.739SS**  cis51138.746.577.20000113.8
1200D24.9Very low25.9Very low123 Ų123132.1 Ų132.166%0.65873%0.731SS**  trans95.3114.1153.7-54.7-49.1000121
1201Y26.4Very low26.3Very low178 Ų178131.5 Ų131.570%0.69873%0.732SS**  trans73.6107.3140.1-78.1-114.5000121.5
1202Y24.5Very low26.4Very low129 Ų129129.5 Ų129.551%0.50673%0.73SS.*  54.6139.5118-89.5-105.2000122.9E872E872-Y1202 WeakPolarHBondContact CB-OH 3.4Å; E872-Y1202 WeakPolarHBondContact OE2-CE1 3.09Å; E872-Y1202 VanDerWaalsContact OE2-CZ 3.31Å; E872-Y1202 PolarHBondContact OE2-OH 3.17Å
1203H27.1Very low26.7Very low170 Ų170126.6 Ų126.679%0.78772%0.721SS**  trans67.4156.3161.5-65.1-43.4000118.9
1204G26.2Very low27.3Very low73 Ų73124.2 Ų124.275%0.75370%0.704SS**  trans110.775.3156.400000116F1206G1204-F1206 PolarHBondContact O-N 3.4Å
1205C25.7Very low27.8Very low107 Ų107121.3 Ų121.372%0.72369%0.694SS**  trans-62.6127.3163.6179.80000110.9
1206F26.4Very low28.4Very low161 Ų161122.4 Ų122.471%0.70669%0.692SS**  trans-144.8156.3154.1-101-77.6000110.4G1204G1204-F1206 PolarHBondContact O-N 3.4Å
1207I26.4Very low28.8Very low157 Ų157124.8 Ų124.881%0.80569%0.69SS**  trans-130.6139.1-167.3-59.1168.7000108.5
1208G28.2Very low29.5Very low73 Ų73121.4 Ų121.475%0.75369%0.686SS**  trans164.589.3164.900000118.5
1209G26.8Very low30Very low69 Ų69123.8 Ų123.871%0.71169%0.691SS**  trans71-174.2151.300000118.4
1210P32.6Very low30.3Very low103 Ų103126.7 Ų126.767%0.66970%0.697SS**  cis-83.3163.11.634.4-35.6000114E1214P1210-E1214 WeakPolarHBondContact CB-OE2 3.5Å
1211T32.7Very low30.6Very low104 Ų104127.5 Ų127.564%0.63870%0.702SS**  trans-93.6174177.247.80000112.5S1213 E1214T1211-S1213 PolarHBondContact O-N 3.19Å; T1211-E1214 PolarHBondContact O-N 3.03Å
1212S31.6Very low30.7Very low105 Ų105125 Ų12573%0.73471%0.709SS**THydrogen-bonded Turntrans-64.613.1-169.747.40000117.4
1213S35.1Very low30.9Very low85 Ų85127.6 Ų127.659%0.59473%0.726SS**THydrogen-bonded Turntrans-96.5-13.3174.944.30000114.8T1211T1211-S1213 PolarHBondContact O-N 3.19Å
1214E37Very low31Very low120 Ų120128.2 Ų128.256%0.56173%0.734SS**SBendtrans-91.8-31.7175.6-64.5-164.7128.600113.3P1210 T1211 L1216 R1217 L1218P1210-E1214 WeakPolarHBondContact CB-OE2 3.5Å; T1211-E1214 PolarHBondContact O-N 3.03Å; E1214-L1216 PolarHBondContact O-N 3.19Å; E1214-R1217 WeakPolarHBondContact O-CA 3.3Å; E1214-R1217 WeakPolarHBondContact O-CB 3.31Å; E1214-R1217 PolarHBondContact O-N 3.44Å; E1214-L1218 PolarHBondContact O-N 2.92Å
1215L35.2Very low31.1Very low115 Ų115128 Ų12860%0.60273%0.732SS**THydrogen-bonded Turntrans-63.5-27174.8-114.5167.3000112.8R1217L1215-R1217 VanDerWaalsContact C-N 3.25Å; L1215-R1217 PolarHBondContact O-N 2.93Å
1216L35.7Very low31.2Very low134 Ų134132.6 Ų132.670%0.70274%0.74SS**THydrogen-bonded Turntrans-80.2-1172.8-109.9157.9000113.7E1214E1214-L1216 PolarHBondContact O-N 3.19Å
1217R34.3Very low31.4Very low201 Ų201130.2 Ų130.276%0.75874%0.743SS**THydrogen-bonded Turntrans-114.2-15.4-179.9-149.9173.4-178.1-164-1.2113.5E1214 L1215 L1219E1214-R1217 WeakPolarHBondContact O-CA 3.3Å; E1214-R1217 WeakPolarHBondContact O-CB 3.31Å; E1214-R1217 PolarHBondContact O-N 3.44Å; L1215-R1217 VanDerWaalsContact C-N 3.25Å; L1215-R1217 PolarHBondContact O-N 2.93Å; R1217-L1219 VanDerWaalsContact C-N 3.29Å
1218L35.4Very low31.6Very low149 Ų149127.6 Ų127.678%0.7874%0.738SS**THydrogen-bonded Turntrans-81.6-2.5167.3-86.7163.3000113.8E1214E1214-L1218 PolarHBondContact O-N 2.92Å
1219L34Very low31.8Very low148 Ų148129.5 Ų129.578%0.77574%0.74SS**THydrogen-bonded Turntrans-96.25178.6-94.3165.8000114.5R1217R1217-L1219 VanDerWaalsContact C-N 3.29Å
1220E30.5Very low31.9Very low156 Ų156130.9 Ų130.973%0.72975%0.745SS**SBendtrans-131.40.9-164.4-138.7175.3-15000116.7
1221N30.8Very low31.9Very low140 Ų140131.3 Ų131.375%0.74975%0.75SS**SBendtrans-145.1148.2176.6-83.2-81.1000113.4
1222C29.3Very low31.8Very low125 Ų125131.5 Ų131.585%0.84576%0.756SS**  trans65.387.7-171.7-54.80000113
1223Q27.3Very low31.7Very low185 Ų185134.2 Ų134.286%0.86476%0.759SS**  62.8145.453.1-62.9-164.2-7.200116.1
1224L28.9Very low31.3Very low182 Ų182135.9 Ų135.995%0.95377%0.766SS**  trans79.2118.3-173.6-50171.1000114.3
1225G28.8Very low31Very low69 Ų69134.5 Ų134.571%0.71178%0.775SS**  cis-170.4163.4-4.300000114.3
1226F28.2Very low30.7Very low203 Ų203135 Ų13589%0.8978%0.778SS**  trans-40.6167.1-178.3-54.8-90.3000118.1
1227S31.2Very low30.3Very low111 Ų111138.6 Ų138.678%0.77678%0.783SS**  cis-164.8163.129.753.90000114
1228S29.5Very low30Very low102 Ų102133.4 Ų133.471%0.71378%0.778SS**  cis17697.8-43.650.20000111.7
1229S31.7Very low29.8Very low113 Ų113134.5 Ų134.579%0.7978%0.779SS**  trans-152.6102.3168.255.90000110
1230A30.2Very low29.4Very low98 Ų98137.3 Ų137.381%0.8178%0.779SS**  69.7127.170.200000112
1231S33.1Very low29.4Very low112 Ų112136.7 Ų136.778%0.78378%0.78SS**  cis-145.8141.925-70.50000111.5
1232S30.2Very low29.3Very low108 Ų108135.8 Ų135.876%0.75578%0.78SS**  73132.981.8-139.20000113.6
1233M29.4Very low29.5Very low162 Ų162135.8 Ų135.880%0.79878%0.778SS**  cis-137.2151.49.9-79.8-166.9-68.600110.4
1234T27.4Very low29.5Very low121 Ų121131 Ų13174%0.74277%0.771SS**  57.5112.772.7-29.70000113.3
1235A30.3Very low29.7Very low90 Ų90129.6 Ų129.674%0.74476%0.764SS**  163.5165.896.300000109.5
1236L28.1Very low29.7Very low126 Ų126130.7 Ų130.766%0.6676%0.761SS**  cis-168.9155.6-19.1-105.6171.3000109.3
1237Y28.6Very low29.6Very low209 Ų209128 Ų12882%0.8276%0.755SS**  trans59.1166.4165-60.4-61.3000119.8
1238S27.2Very low29.5Very low93 Ų93129.5 Ų129.565%0.6575%0.754SS**  cis168.2165.6-42.9-177.90000108.7
1239E31.2Very low29.4Very low171 Ų171128.8 Ų128.880%0.79975%0.749SS**  trans74.1160.9166.9-53.9-157.8138.700118.8
1240R26.1Very low29.1Very low207 Ų207130.3 Ų130.378%0.78175%0.747SS**  -173.6157.3-50.7-140.4-179.7-176.1-171.71.2108.4
1241L28.9Very low29.1Very low144 Ų144132 Ų13275%0.75474%0.741SS**  trans68.8152.8163.7-51.1154.2000115.3
1242T29.1Very low28.9Very low121 Ų121133.6 Ų133.674%0.74274%0.736SS**  cis-158156.2-18.614.60000109.3
1243P33.9Very low29Very low124 Ų124135.6 Ų135.681%0.80573%0.733SS**  trans-100.1151.7175.337.8-32.2000113.8
1244A27.7Very low29Very low85 Ų85133.9 Ų133.970%0.70273%0.732SS**  trans-169.1154.8153.600000111.9
1245D32Very low29.3Very low152 Ų152131.5 Ų131.581%0.81373%0.732SS**  trans56.4156.4150.5-55.7-23.1000122.7
1246S30.3Very low29.3Very low92 Ų92137.6 Ų137.664%0.64375%0.75SS**  cis-169.4140.5-39.862.40000110
1247L25.8Very low29.3Very low147 Ų147138.2 Ų138.277%0.7776%0.755SS**  trans57.6144.9151.4-72165.7000121.4
1248N29.3Very low29.4Very low142 Ų142134.5 Ų134.576%0.75975%0.752SS**  trans69.9152156.8-59.2-27.3000119.2
1249S26.8Very low29.5Very low87 Ų87136.8 Ų136.861%0.60876%0.757SS**  cis-168.5160.7-31.356.10000110.5
1250I26.6Very low29.4Very low145 Ų145134.8 Ų134.874%0.74476%0.755SS**  trans69.7122.1136.4-82167.8000120.9
1251I29.2Very low29.6Very low133 Ų133130.3 Ų130.368%0.68275%0.753SS**  trans84.9110.6143.9-77.3175.6000121.8
1252H29.7Very low29.7Very low146 Ų146129.3 Ų129.368%0.67675%0.753SS**  trans67163.9139-69.4-143.5000118.8
1253H32.4Very low29.7Very low150 Ų150129.9 Ų129.969%0.69475%0.754SS**  cis-138.2145.82.9-131.8-64.8000112.1
1254T28Very low29.4Very low126 Ų126130.4 Ų130.477%0.77375%0.75SS**  trans-10.1142.5159.853.90000120.6
1255G34.5Very low29.5Very low72 Ų72134.2 Ų134.274%0.74275%0.754SS**  trans145.669.5132.300000120.3
1256L29.7Very low29.3Very low218 Ų218132.5 Ų132.5100%1.14175%0.748SS**  trans-1760135.5-102.7163.2000111.7M461M461-L1256 HydrophobicContact CE-CD2 4.36Å

Retrieved 1,256 of 1,256 residues in 250.5 ms (Link to these results)

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