A0A061I653_CRIGR Loading...

SLAM family member 7

AlphaFold DB , UniProt , Accession A0A061I653, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Slamf7, Length 325 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
1M43.8Very low47.7Very low247 Ų247143.6 Ų143.6100%1.21780%0.796SS**  0115.10-77.6177.8-87.500108.4
2A40.8Very low47.9Very low89 Ų89140 Ų14074%0.73679%0.788SS**  trans-17798.3164.200000107.2
3G42.2Very low48.3Very low81 Ų81139.2 Ų139.284%0.83579%0.787SS**  trans-92.6116.1178.600000110.7S5G3-S5 PolarHBondContact O-N 2.79Å
4F44.1Very low48.6Very low196 Ų196139.1 Ų139.186%0.8678%0.783SS**  trans-84.798.6172.1-79.6-86.8000109.9T6F4-T6 PolarHBondContact O-N 3.27Å
5S46Very low48.4Very low94 Ų94136.5 Ų136.566%0.65778%0.775SS**  trans-79.8101.9176.1-170.50000110.6G3 F7G3-S5 PolarHBondContact O-N 2.79Å; S5-F7 PolarHBondContact O-N 3.11Å; S5-F7 VanDerWaalsContact O-N 3.15Å
6T51.3Low48.3Very low123 Ų123137.9 Ų137.976%0.75577%0.774SS**  trans-76.694.8176.348.70000111.1F4 I8F4-T6 PolarHBondContact O-N 3.27Å; T6-I8 PolarHBondContact O-N 3.38Å
7F48.8Very low48.4Very low180 Ų180137.4 Ų137.479%0.78977%0.768SS**  trans-71.9103.5171-82-89.5000110.9S5 I9S5-F7 PolarHBondContact O-N 3.11Å; S5-F7 VanDerWaalsContact O-N 3.15Å; F7-I9 PolarHBondContact O-N 3.03Å
8I54.5Low48.4Very low135 Ų135136 Ų13669%0.69277%0.766SS**  trans-79.5105.3168.4-61.4177.1000108.1T6 F10T6-I8 PolarHBondContact O-N 3.38Å; I8-F10 HydrophobicContact CG2-CD2 3.88Å; I8-F10 HydrophobicContact CG2-CE2 3.89Å; I8-F10 PolarHBondContact O-N 3.49Å
9I51.9Low48.5Very low138 Ų138134.7 Ų134.771%0.70876%0.761SS**  trans-81.6100.9174.6-56.2177.9000108.5F7 T11F7-I9 PolarHBondContact O-N 3.03Å; I9-T11 HydrophobicContact CG2-CG2 4.15Å; I9-T11 PolarHBondContact O-N 3.28Å; I9-T11 VanDerWaalsContact O-N 3.1Å
10F49.3Very low48.7Very low182 Ų182133.1 Ų133.180%0.79875%0.754SS**  trans-72.795.1166.3-92.6-90.1000109.8I8 S12I8-F10 HydrophobicContact CG2-CD2 3.88Å; I8-F10 HydrophobicContact CG2-CE2 3.89Å; I8-F10 PolarHBondContact O-N 3.49Å; F10-S12 VanDerWaalsContact C-N 3.35Å; F10-S12 PolarHBondContact O-N 3.04Å
11T51.9Low49.1Very low115 Ų115129.4 Ų129.471%0.70674%0.74SS**  trans-73.888.4166.840.20000109.8I9 V13I9-T11 HydrophobicContact CG2-CG2 4.15Å; I9-T11 PolarHBondContact O-N 3.28Å; I9-T11 VanDerWaalsContact O-N 3.1Å; T11-V13 PolarHBondContact O-N 2.98Å
12S50.8Low50.4Low100 Ų100121.4 Ų121.470%0.69971%0.705SS**  trans-66.191.8172.1400000110.6F10 L14F10-S12 VanDerWaalsContact C-N 3.35Å; F10-S12 PolarHBondContact O-N 3.04Å; S12-L14 VanDerWaalsContact C-N 3.26Å; S12-L14 PolarHBondContact O-N 2.99Å
13V52.9Low52.1Low129 Ų129120.4 Ų120.478%0.78269%0.693SS**  trans-67.587.3172.3-177.50000108.9T11 C15T11-V13 PolarHBondContact O-N 2.98Å; V13-C15 PolarHBondContact O-N 3.14Å
14L52.2Low53.8Low139 Ų139117.3 Ų117.373%0.72866%0.661SS**  trans-65.488.4165.5-87.1162.2000108.3S12 Q16S12-L14 VanDerWaalsContact C-N 3.26Å; S12-L14 PolarHBondContact O-N 2.99Å; L14-Q16 PolarHBondContact O-N 3.27Å
15C46.3Very low55.8Low99 Ų99112.9 Ų112.967%0.66965%0.652SS**  trans-70.972.9171.5-164.20000109.4V13 L17V13-C15 PolarHBondContact O-N 3.14Å; C15-L17 VanDerWaalsContact C-N 3.29Å; C15-L17 PolarHBondContact O-N 3.29Å
16Q46.8Very low57.9Low160 Ų160113.3 Ų113.375%0.74865%0.646SS**  trans-70.990.8166-68.1-171.4-3.700107.5L14 P18L14-Q16 PolarHBondContact O-N 3.27Å; Q16-P18 VanDerWaalsContact O-CD 3.28Å; Q16-P18 WeakPolarHBondContact O-CD 3.26Å
17L49.5Very low60Low128 Ų128110.6 Ų110.667%0.6762%0.624SS**  trans-60.4121.6159-76.487.1000106.7C15 V19C15-L17 VanDerWaalsContact C-N 3.29Å; C15-L17 PolarHBondContact O-N 3.29Å; L17-V19 HydrophobicContact CB-CG2 4.41Å; L17-V19 PolarHBondContact O-N 3.21Å
18P48.4Very low62.2Low113 Ų113109.1 Ų109.173%0.73462%0.62SS**  trans-71.885.9169.930.7-32.7000107.8Q16 T20Q16-P18 VanDerWaalsContact O-CD 3.28Å; Q16-P18 WeakPolarHBondContact O-CD 3.26Å; P18-T20 PolarHBondContact O-N 3.42Å
19V50.7Low64.2Low111 Ų111104 Ų10467%0.67359%0.594SS**  trans-69.982.2166.1-176.90000106.8L17 A21L17-V19 HydrophobicContact CB-CG2 4.41Å; L17-V19 PolarHBondContact O-N 3.21Å; V19-A21 PolarHBondContact O-N 3.32Å
20T51Low66.3Low103 Ų103100.3 Ų100.363%0.63258%0.578SS**  trans-68.485.5171.650.40000108P18 T22 S112P18-T20 PolarHBondContact O-N 3.42Å; T20-T22 PolarHBondContact O-N 2.73Å; T20-S112 PolarHBondContact O-OG 3.13Å
21A58.2Low68.5Low55 Ų5591.9 Ų91.946%0.45554%0.542SS..  trans-66.6108.6165.600000107.6V19 S23V19-A21 PolarHBondContact O-N 3.32Å; A21-S23 PolarHBondContact O-N 3.04Å; A21-S23 VanDerWaalsContact O-N 3.15Å
22T70.8Confident70.5Confident80 Ų8088 Ų8849%0.49152%0.522SS..  trans-70.8111.1179.9-53.80000108.5T20 F114 T115T20-T22 PolarHBondContact O-N 2.73Å; T22-F114 HydrophobicContact CG2-CD2 3.75Å; T22-F114 HydrophobicContact CG2-CE2 3.94Å; T22-F114 CarbonylContact O-C 3.57Å; T22-F114 VanDerWaalsContact O-CA 3.32Å; T22-F114 WeakPolarHBondContact O-CA 3.25Å; T22-F114 VanDerWaalsContact O-CD2 3.25Å; T22-F114 WeakPolarHBondContact O-CD2 3.49Å; T22-T115 PolarHBondContact O-N 3.02Å
23S75.8Confident72.6Confident68 Ų6887.1 Ų87.148%0.47651%0.509SS..BIsolated β-bridgetrans-103.7136.1177.7-155.90000111A21 T115A21-S23 PolarHBondContact O-N 3.04Å; A21-S23 VanDerWaalsContact O-N 3.15Å; S23-T115 CarbonylContact C-O 3.58Å; S23-T115 WeakPolarHBondContact CA-O 3.43Å
24G78.4Confident74.6Confident16 Ų1683.6 Ų83.617%0.16550%0.499CS..PPolyproline II helixtrans-76170.8168.200000112.3T115G24-T115 PolarHBondContact N-O 2.88Å
25P85.7Confident76.6Confident103 Ų10378.3 Ų78.367%0.66948%0.478SS*.PPolyproline II helixtrans-64141.3174.928.2-34.8000111.1
26L91.4Very high79Confident102 Ų10276.4 Ų76.453%0.53447%0.466SS..PPolyproline II helixtrans-61.1131.9172.1-174.965.2000110E117 V119L26-E117 HydrophobicContact CD1-CB 3.56Å; L26-V119 HydrophobicContact CD1-CG2 3.84Å; L26-V119 HydrophobicContact CD2-CG2 3.89Å; L26-V119 HydrophobicContact CG-CG2 4.05Å
27K94.4Very high81.3Confident67 Ų6769.4 Ų69.429%0.29143%0.434SS..EExtended strand (participates in β ladder)trans-112.8115.4-178.9-68178.8-178.3175.90111.7S42 E117 Y118 V119K27-S42 PolarHBondContact NZ-OG 3.27Å; K27-E117 PolarHBondContact N-O 3.35Å; K27-Y118 HydrophobicContact CB-CD1 3.74Å; K27-Y118 HydrophobicContact CB-CE1 4.38Å; K27-Y118 HydrophobicContact CB-CG 4.4Å; K27-Y118 HydrophobicContact CD-CD1 4.27Å; K27-Y118 HydrophobicContact CD-CE1 4.06Å; K27-Y118 CarbonylContact O-C 3.53Å; K27-Y118 WeakPolarHBondContact O-CA 3.45Å; K27-Y118 WeakPolarHBondContact O-CB 3.28Å; K27-V119 PolarHBondContact O-N 3.31Å
28E95.2Very high83.5Confident149 Ų14966.2 Ų66.270%0.69642%0.42SS*.EExtended strand (participates in β ladder)trans-69.3136.2169.3-66-178-172.100110.5Y121E28-Y121 HydrophobicContact CG-CE2 4.3Å
29V96.2Very high85.7Confident26 Ų2660.8 Ų60.816%0.15839%0.385CS..EExtended strand (participates in β ladder)trans-130.7131.9178.5-177.90000108.1V37 F39 Y118 V119 L120 Y121V29-V37 HydrophobicContact CG1-CB 3.97Å; V29-V37 HydrophobicContact CG1-CG1 3.93Å; V29-V37 HydrophobicContact CG1-CG2 4.38Å; V29-F39 HydrophobicContact CB-CE1 4.38Å; V29-F39 HydrophobicContact CG1-CE1 4.4Å; V29-F39 HydrophobicContact CG2-CD1 4.23Å; V29-F39 HydrophobicContact CG2-CE1 4.29Å; V29-Y118 HydrophobicContact CG2-CD1 3.77Å; V29-Y118 HydrophobicContact CG2-CG 4.4Å; V29-V119 PolarHBondContact N-O 2.94Å; V29-L120 HydrophobicContact CB-CD1 4.28Å; V29-L120 HydrophobicContact CG1-CD1 3.99Å; V29-L120 WeakPolarHBondContact O-CA 3.4Å; V29-L120 WeakPolarHBondContact O-CD1 3.5Å; V29-Y121 PolarHBondContact O-N 3.29Å
30V95.8Very high87.7Confident62 Ų6259 Ų5938%0.37637%0.374SS..EExtended strand (participates in β ladder)trans-111.3132.2-178.4179.50000108.7V37 Y123 P198 I199V30-V37 WeakPolarHBondContact O-CG1 3.3Å; V30-Y123 HydrophobicContact CG1-CD2 3.86Å; V30-Y123 HydrophobicContact CG1-CE2 4.05Å; V30-P198 HydrophobicContact CG1-CB 3.75Å; V30-P198 HydrophobicContact CG2-CB 4.2Å; V30-I199 HydrophobicContact CG1-CG2 3.37Å
31G95.4Very high89.5Confident4 Ų455.5 Ų55.54%0.04135%0.352CS..EExtended strand (participates in β ladder)trans-131.3148.8176.700000112.4Y121 V122 Y123G31-Y121 PolarHBondContact N-O 2.99Å; G31-V122 WeakPolarHBondContact O-CA 3.41Å; G31-Y123 PolarHBondContact O-N 2.91Å
32A94.8Very high90.7Very high34 Ų3455.6 Ų55.628%0.28135%0.35SS..EExtended strand (participates in β ladder)trans-89144.917000000111.2G34 G35 Y123 I199A32-G34 PolarHBondContact O-N 3.38Å; A32-G35 WeakPolarHBondContact O-CA 3.46Å; A32-G35 PolarHBondContact O-N 3.37Å; A32-Y123 CarbonylContact C-O 3.57Å; A32-Y123 WeakPolarHBondContact CA-O 3.4Å; A32-I199 HydrophobicContact CB-CD1 3.61Å
33L93.8Very high91Very high81 Ų8153.3 Ų53.342%0.42433%0.333SS..THydrogen-bonded Turntrans-53.3134.9171.8-163.383000110.6G35 K95 V122 Y123 E124L33-G35 PolarHBondContact O-N 2.93Å; L33-G35 VanDerWaalsContact O-N 3.1Å; L33-K95 HydrophobicContact CD1-CG 4.37Å; L33-V122 HydrophobicContact CD1-CG1 4.21Å; L33-Y123 PolarHBondContact N-O 2.84Å; L33-E124 HydrophobicContact CB-CG 4.08Å; L33-E124 HydrophobicContact CD2-CG 3.79Å; L33-E124 HydrophobicContact CG-CG 4.39Å
34G94.9Very high90.7Very high55 Ų5555.4 Ų55.457%0.56735%0.345SS*.THydrogen-bonded Turntrans73.2-15.1-173.300000115.3A32 Q92 L93A32-G34 PolarHBondContact O-N 3.38Å; G34-Q92 WeakPolarHBondContact O-CA 3.36Å; G34-L93 PolarHBondContact N-O 3.14Å
35G95.6Very high90.3Very high28 Ų2858.1 Ų58.129%0.28935%0.354SS..  trans-76.1-159.2-179.100000114.5A32 L33 S91 Q92 L93A32-G35 WeakPolarHBondContact O-CA 3.46Å; A32-G35 PolarHBondContact O-N 3.37Å; L33-G35 PolarHBondContact O-N 2.93Å; L33-G35 VanDerWaalsContact O-N 3.1Å; G35-S91 CarbonylContact O-C 3.56Å; G35-Q92 PolarHBondContact O-N 2.77Å; G35-L93 PolarHBondContact O-N 2.99Å; G35-L93 VanDerWaalsContact O-N 3.17Å
36S95.8Very high89.5Confident59 Ų5963.8 Ų63.841%0.41337%0.368SS..EExtended strand (participates in β ladder)trans-146.2147.917670.30000112.5K89 L90S36-K89 VanDerWaalsContact OG-CE 3.26Å; S36-K89 WeakPolarHBondContact OG-CE 2.9Å; S36-L90 CarbonylContact C-O 3.5Å; S36-L90 WeakPolarHBondContact CA-O 3.47Å; S36-L90 VanDerWaalsContact CB-O 3.24Å; S36-L90 WeakPolarHBondContact CB-O 3.27Å
37V95.8Very high89Confident13 Ų1364 Ų648%0.07937%0.366CS..EExtended strand (participates in β ladder)trans-125.5156.2173.5-67.60000110.6V29 V30 F39 K89 L90 L93 L120V29-V37 HydrophobicContact CG1-CB 3.97Å; V29-V37 HydrophobicContact CG1-CG1 3.93Å; V29-V37 HydrophobicContact CG1-CG2 4.38Å; V30-V37 WeakPolarHBondContact O-CG1 3.3Å; V37-F39 HydrophobicContact CG2-CE1 4.5Å; V37-F39 HydrophobicContact CG2-CE2 4.02Å; V37-F39 HydrophobicContact CG2-CZ 3.91Å; V37-K89 WeakPolarHBondContact O-CA 3.09Å; V37-L90 HydrophobicContact CG2-CB 4.44Å; V37-L90 PolarHBondContact N-O 2.81Å; V37-L90 PolarHBondContact O-N 3.26Å; V37-L93 HydrophobicContact CG1-CD1 3.96Å; V37-L93 HydrophobicContact CG2-CD1 4.18Å; V37-L93 HydrophobicContact CG2-CD2 4.38Å; V37-L120 HydrophobicContact CG1-CD1 4.15Å; V37-L120 HydrophobicContact CG2-CD1 4.01Å; V37-L120 HydrophobicContact CG2-CD2 4.09Å
38T95.3Very high88.7Confident61 Ų6161.9 Ų61.937%0.37436%0.358SS..EExtended strand (participates in β ladder)trans-123.1120.7175.3-54.40000109.8T40 M88T38-T40 HydrophobicContact CG2-CG2 4.32Å; T38-T40 PolarHBondContact O-N 2.98Å; T38-M88 CarbonylContact C-O 3.58Å; T38-M88 WeakPolarHBondContact CA-O 3.49Å
39F94.8Very high88.4Confident0 Ų057.3 Ų57.30%034%0.338CS..EExtended strand (participates in β ladder)trans-87.6102.7177.2-56.5-79.5000109.3V29 V37 V41 W53 S87 M88 L90 Y101 Y118 L120V29-F39 HydrophobicContact CB-CE1 4.38Å; V29-F39 HydrophobicContact CG1-CE1 4.4Å; V29-F39 HydrophobicContact CG2-CD1 4.23Å; V29-F39 HydrophobicContact CG2-CE1 4.29Å; V37-F39 HydrophobicContact CG2-CE1 4.5Å; V37-F39 HydrophobicContact CG2-CE2 4.02Å; V37-F39 HydrophobicContact CG2-CZ 3.91Å; F39-V41 PolarHBondContact O-N 3.33Å; F39-W53 HydrophobicContact CB-CH2 3.31Å; F39-W53 HydrophobicContact CB-CZ2 4.27Å; F39-W53 HydrophobicContact CB-CZ3 3.66Å; F39-W53 HydrophobicContact CG-CH2 4.32Å; F39-W53 HydrophobicContact CG-CZ3 4.21Å; F39-S87 WeakPolarHBondContact O-CA 3.47Å; F39-S87 WeakPolarHBondContact O-CB 3.4Å; F39-M88 HydrophobicContact CD2-CB 4.34Å; F39-M88 HydrophobicContact CD2-CE 3.74Å; F39-M88 WeakPolarHBondContact CD2-O 3.33Å; F39-M88 HydrophobicContact CE2-CE 3.95Å; F39-M88 PolarHBondContact N-O 3.22Å; F39-M88 PolarHBondContact O-N 2.89Å; F39-L90 HydrophobicContact CE2-CB 4.09Å; F39-L90 HydrophobicContact CE2-CD2 4.49Å; F39-Y101 AromaticContact CE1-CD2 3.86Å; F39-Y101 HydrophobicContact CE1-CD2 3.86Å; F39-Y101 AromaticContact CE1-CG 3.93Å; F39-Y101 HydrophobicContact CE1-CG 3.93Å; F39-Y101 AromaticContact CE2-CD1 3.97Å; F39-Y101 HydrophobicContact CE2-CD1 3.97Å; F39-Y101 HydrophobicContact CE2-CD2 4.35Å; F39-Y101 HydrophobicContact CE2-CE1 4.19Å; F39-Y101 HydrophobicContact CE2-CG 4.05Å; F39-Y101 AromaticContact CZ-CD1 3.95Å; F39-Y101 HydrophobicContact CZ-CD1 3.95Å; F39-Y101 AromaticContact CZ-CD2 3.51Å; F39-Y101 HydrophobicContact CZ-CD2 3.51Å; F39-Y101 HydrophobicContact CZ-CE1 4.21Å; F39-Y101 AromaticContact CZ-CE2 3.82Å; F39-Y101 HydrophobicContact CZ-CE2 3.82Å; F39-Y101 AromaticContact CZ-CG 3.58Å; F39-Y101 HydrophobicContact CZ-CG 3.58Å; F39-Y118 VanDerWaalsContact C-OH 3.25Å; F39-Y118 HydrophobicContact CB-CD1 4.47Å; F39-Y118 HydrophobicContact CB-CD2 4.38Å; F39-Y118 HydrophobicContact CB-CE1 4.03Å; F39-Y118 HydrophobicContact CB-CE2 3.97Å; F39-Y118 AromaticContact CD1-CD1 3.85Å; F39-Y118 HydrophobicContact CD1-CD1 3.85Å; F39-Y118 HydrophobicContact CD1-CD2 4.05Å; F39-Y118 HydrophobicContact CD1-CE1 4.26Å; F39-Y118 HydrophobicContact CD1-CE2 4.47Å; F39-Y118 AromaticContact CD1-CG 3.72Å; F39-Y118 HydrophobicContact CD1-CG 3.72Å; F39-Y118 HydrophobicContact CE1-CG 4.41Å; F39-L120 HydrophobicContact CE1-CB 4.34Å; F39-L120 HydrophobicContact CZ-CB 4.25Å; F39-L120 HydrophobicContact CZ-CD2 4.09Å
40T92.4Very high88.2Confident74 Ų7457.8 Ų57.845%0.45434%0.341SS..  trans-85107.6-169.748.20000113.8T38 S42 Q116 Y118T38-T40 HydrophobicContact CG2-CG2 4.32Å; T38-T40 PolarHBondContact O-N 2.98Å; T40-S42 PolarHBondContact O-N 3.46Å; T40-S42 PolarHBondContact O-OG 3.14Å; T40-S42 VanDerWaalsContact O-OG 3.05Å; T40-Q116 PolarHBondContact O-NE2 3.04Å; T40-Y118 PolarHBondContact N-OH 3.3Å; T40-Y118 VanDerWaalsContact N-OH 3.16Å; T40-Y118 PolarHBondContact O-OH 3.48Å
41V89.6Confident88.1Confident28 Ų2854.8 Ų54.817%0.1732%0.323CS..  trans-60.5121.9175.51760000109.6F39 I48 W53 Y86 S87 I105F39-V41 PolarHBondContact O-N 3.33Å; V41-I48 HydrophobicContact CG1-CD1 4.09Å; V41-W53 HydrophobicContact CG2-CH2 4.42Å; V41-W53 HydrophobicContact CG2-CZ2 3.67Å; V41-Y86 WeakPolarHBondContact CG2-O 3.37Å; V41-S87 PolarHBondContact N-OG 2.88Å; V41-S87 VanDerWaalsContact N-OG 3.1Å; V41-I105 HydrophobicContact CG1-CD1 3.62Å
42S83.1Confident88Confident57 Ų5756.6 Ų56.640%0.39933%0.331SS..  trans-12492.5-176-52.90000108.7K27 T40K27-S42 PolarHBondContact NZ-OG 3.27Å; T40-S42 PolarHBondContact O-N 3.46Å; T40-S42 PolarHBondContact O-OG 3.14Å; T40-S42 VanDerWaalsContact O-OG 3.05Å
43F77.9Confident88.1Confident32 Ų3255 Ų5514%0.1432%0.318CS..  trans-121.6134-174.7-169.4-121000110.4E45 Q47 I48 I105 L110 F114F43-E45 HydrophobicContact CD1-CB 4.11Å; F43-E45 WeakPolarHBondContact CD1-O 3.48Å; F43-E45 HydrophobicContact CE1-CB 3.55Å; F43-E45 HydrophobicContact CE1-CG 3.87Å; F43-E45 HydrophobicContact CZ-CB 4.05Å; F43-E45 HydrophobicContact CZ-CG 3.83Å; F43-E45 WeakPolarHBondContact CZ-OE2 3.45Å; F43-Q47 WeakPolarHBondContact CE1-O 3.26Å; F43-I48 HydrophobicContact CB-CD1 3.93Å; F43-I48 HydrophobicContact CB-CG1 4.48Å; F43-I48 HydrophobicContact CD1-CD1 3.88Å; F43-I48 HydrophobicContact CD1-CG1 3.47Å; F43-I48 VanDerWaalsContact CD1-CG1 3.47Å; F43-I48 HydrophobicContact CE1-CG1 4Å; F43-I48 HydrophobicContact CG-CD1 4.18Å; F43-I48 HydrophobicContact CG-CG1 4.22Å; F43-I105 HydrophobicContact CB-CD1 4.02Å; F43-I105 HydrophobicContact CD1-CG2 4.32Å; F43-I105 HydrophobicContact CD2-CD1 3.95Å; F43-I105 HydrophobicContact CD2-CG2 4.1Å; F43-I105 HydrophobicContact CE1-CG2 4.41Å; F43-I105 HydrophobicContact CE2-CG2 4.28Å; F43-I105 HydrophobicContact CG-CD1 4.16Å; F43-I105 HydrophobicContact CG-CG2 4.16Å; F43-I105 HydrophobicContact CZ-CG2 4.43Å; F43-L110 HydrophobicContact CE2-CD1 3.84Å; F43-L110 HydrophobicContact CE2-CD2 4.41Å; F43-L110 HydrophobicContact CE2-CG 4.46Å; F43-L110 HydrophobicContact CZ-CD1 3.64Å; F43-L110 HydrophobicContact CZ-CD2 4.08Å; F43-L110 HydrophobicContact CZ-CG 3.92Å; F43-F114 HydrophobicContact CD2-CB 4.19Å; F43-F114 HydrophobicContact CD2-CD1 4.01Å; F43-F114 HydrophobicContact CD2-CG 4.1Å; F43-F114 HydrophobicContact CE2-CB 3.71Å; F43-F114 HydrophobicContact CE2-CD1 4.37Å; F43-F114 HydrophobicContact CE2-CG 4.01Å
44P68.1Low88.1Confident113 Ų11351.9 Ų51.973%0.73430%0.302SS*.SBendtrans-77.7-19.1-173.429.4-35.4000114.2
45E70.4Confident88.1Confident72 Ų7250.5 Ų50.534%0.33628%0.281SS..SBendtrans-95.5153.6-178.9-39.2-173.7126.800111.6F43 Q47 S109 L110F43-E45 HydrophobicContact CD1-CB 4.11Å; F43-E45 WeakPolarHBondContact CD1-O 3.48Å; F43-E45 HydrophobicContact CE1-CB 3.55Å; F43-E45 HydrophobicContact CE1-CG 3.87Å; F43-E45 HydrophobicContact CZ-CB 4.05Å; F43-E45 HydrophobicContact CZ-CG 3.83Å; F43-E45 WeakPolarHBondContact CZ-OE2 3.45Å; E45-Q47 PolarHBondContact O-N 3.36Å; E45-S109 WeakPolarHBondContact OE2-CB 3.35Å; E45-S109 PolarHBondContact OE2-OG 3.48Å; E45-L110 WeakPolarHBondContact OE2-CD2 3.41Å
46K68.4Low87.9Confident222 Ų22253 Ų5397%0.96529%0.287SS*.SBendtrans-83.4-9-170-67.3-174178.5-179.60115.3
47Q81.1Confident87.6Confident107 Ų10755.7 Ų55.750%0.530%0.301SS..  trans-120.9136177.2-175.4165.8-24.700109.1F43 E45 D49 S107F43-Q47 WeakPolarHBondContact CE1-O 3.26Å; E45-Q47 PolarHBondContact O-N 3.36Å; Q47-D49 PolarHBondContact NE2-OD1 3.04Å; Q47-S107 PolarHBondContact O-OG 3.27Å; Q47-S107 VanDerWaalsContact O-OG 3.09Å
48I87.6Confident87.3Confident23 Ų2362.1 Ų62.112%0.11833%0.329CS..  trans-131.4130.2169.6-64.5172.8000103.9V41 F43 V51 Y86 I105V41-I48 HydrophobicContact CG1-CD1 4.09Å; F43-I48 HydrophobicContact CB-CD1 3.93Å; F43-I48 HydrophobicContact CB-CG1 4.48Å; F43-I48 HydrophobicContact CD1-CD1 3.88Å; F43-I48 HydrophobicContact CD1-CG1 3.47Å; F43-I48 VanDerWaalsContact CD1-CG1 3.47Å; F43-I48 HydrophobicContact CE1-CG1 4Å; F43-I48 HydrophobicContact CG-CD1 4.18Å; F43-I48 HydrophobicContact CG-CG1 4.22Å; I48-V51 HydrophobicContact CG2-CG2 3.67Å; I48-Y86 HydrophobicContact CB-CD2 4.27Å; I48-Y86 HydrophobicContact CB-CE1 4.42Å; I48-Y86 HydrophobicContact CB-CE2 3.77Å; I48-Y86 HydrophobicContact CD1-CD2 3.92Å; I48-Y86 HydrophobicContact CD1-CE2 4.18Å; I48-Y86 HydrophobicContact CG2-CD1 4.08Å; I48-Y86 HydrophobicContact CG2-CD2 4.25Å; I48-Y86 HydrophobicContact CG2-CE1 3.83Å; I48-Y86 HydrophobicContact CG2-CE2 4.01Å; I48-Y86 HydrophobicContact CG2-CG 4.29Å; I48-Y86 PolarHBondContact O-OH 2.63Å; I48-I105 HydrophobicContact CB-CG2 4.46Å; I48-I105 HydrophobicContact CD1-CG2 4.13Å; I48-I105 HydrophobicContact CG1-CG2 3.95Å; I48-I105 HydrophobicContact CG2-CG2 3.8Å
49D88.9Confident87.2Confident53 Ų5362.2 Ų62.228%0.28333%0.329SS..SBendtrans-94-44.7179.5-61.5-49.1000109.8Q47 H106 S107 T108Q47-D49 PolarHBondContact NE2-OD1 3.04Å; D49-H106 PolarHBondContact N-O 2.76Å; D49-S107 WeakPolarHBondContact OD2-CA 3.26Å; D49-T108 WeakPolarHBondContact OD2-CB 3.39Å; D49-T108 WeakPolarHBondContact OD2-CG2 3.23Å; D49-T108 PolarHBondContact OD2-N 2.95Å; D49-T108 PolarHBondContact OD2-OG1 3.48Å
50T91.9Very high87.2Confident35 Ų3562.4 Ų62.422%0.21533%0.331CS..EExtended strand (participates in β ladder)trans-143.5142.3179.1-52.70000112I52 I62 V63 N64 H106T50-I52 HydrophobicContact CG2-CG1 4.08Å; T50-I62 HydrophobicContact CG2-CG2 3.74Å; T50-V63 CarbonylContact C-O 3.58Å; T50-V63 WeakPolarHBondContact CA-O 3.4Å; T50-N64 WeakPolarHBondContact CG2-OD1 3.49Å; T50-N64 PolarHBondContact OG1-OD1 2.94Å; T50-N64 VanDerWaalsContact OG1-OD1 3.04Å; T50-H106 PolarHBondContact N-O 2.96Å; T50-H106 PolarHBondContact O-N 2.85Å
51V93.9Very high87.2Confident0 Ų058.9 Ų58.90%031%0.309CS..EExtended strand (participates in β ladder)trans-119.1125.7161.5-178.60000110.3I48 V63 Y86 A103 E104 I105I48-V51 HydrophobicContact CG2-CG2 3.67Å; V51-V63 PolarHBondContact N-O 3.43Å; V51-V63 PolarHBondContact O-N 2.84Å; V51-Y86 HydrophobicContact CB-CD1 4.14Å; V51-Y86 HydrophobicContact CG2-CD1 3.66Å; V51-Y86 HydrophobicContact CG2-CG 3.84Å; V51-A103 HydrophobicContact CG1-CB 3.96Å; V51-E104 WeakPolarHBondContact CA-O 3.36Å; V51-I105 HydrophobicContact CG2-CB 4.45Å; V51-I105 HydrophobicContact CG2-CG1 4.16Å; V51-I105 HydrophobicContact CG2-CG2 4.2Å
52I94.5Very high87.4Confident41 Ų4160.1 Ų60.121%0.2131%0.314CS..EExtended strand (participates in β ladder)trans-100.1118.6174.8-56.4178.1000107.9T50 T59 E104T50-I52 HydrophobicContact CG2-CG1 4.08Å; I52-T59 HydrophobicContact CG2-CG2 3.56Å; I52-E104 HydrophobicContact CB-CB 4.36Å; I52-E104 PolarHBondContact N-O 2.93Å; I52-E104 PolarHBondContact O-N 3.12Å
53W95.5Very high87.8Confident0 Ų057.6 Ų57.60%030%0.296CS..EExtended strand (participates in β ladder)trans-98.3127.5177.9-78.898.4000110.9F39 V41 T59 V60 A61 F81 Y86 M88 R102 A103 Y118F39-W53 HydrophobicContact CB-CH2 3.31Å; F39-W53 HydrophobicContact CB-CZ2 4.27Å; F39-W53 HydrophobicContact CB-CZ3 3.66Å; F39-W53 HydrophobicContact CG-CH2 4.32Å; F39-W53 HydrophobicContact CG-CZ3 4.21Å; V41-W53 HydrophobicContact CG2-CH2 4.42Å; V41-W53 HydrophobicContact CG2-CZ2 3.67Å; W53-T59 CarbonylContact O-C 3.51Å; W53-T59 WeakPolarHBondContact O-CA 3.38Å; W53-T59 WeakPolarHBondContact O-CG2 3.47Å; W53-V60 HydrophobicContact CB-CG2 3.9Å; W53-V60 WeakPolarHBondContact O-CG2 3.47Å; W53-V60 PolarHBondContact O-N 3.4Å; W53-A61 HydrophobicContact CB-CB 4.32Å; W53-A61 PolarHBondContact N-O 2.71Å; W53-A61 PolarHBondContact O-N 3.1Å; W53-F81 AromaticContact CD1-CE1 3.79Å; W53-F81 AromaticContact CD1-CZ 3.92Å; W53-F81 AromaticContact NE1-CE1 3.67Å; W53-Y86 PolarHBondContact NE1-O 3.39Å; W53-M88 HydrophobicContact CB-SD 4.2Å; W53-M88 HydrophobicContact CD2-CB 3.89Å; W53-M88 HydrophobicContact CD2-CE 3.99Å; W53-M88 HydrophobicContact CD2-SD 4.19Å; W53-M88 HydrophobicContact CE3-CB 4.28Å; W53-M88 HydrophobicContact CE3-CE 3.59Å; W53-M88 HydrophobicContact CE3-SD 4.4Å; W53-M88 HydrophobicContact CG-CB 4.39Å; W53-M88 HydrophobicContact CG-CE 4.41Å; W53-M88 HydrophobicContact CG-SD 4.12Å; W53-M88 HydrophobicContact CH2-CB 4.18Å; W53-M88 HydrophobicContact CZ2-CB 3.77Å; W53-M88 HydrophobicContact CZ3-CB 4.41Å; W53-M88 HydrophobicContact CZ3-CE 4.1Å; W53-R102 WeakPolarHBondContact CA-O 3.35Å; W53-A103 HydrophobicContact CD2-CB 4.14Å; W53-A103 HydrophobicContact CE3-CB 3.97Å; W53-A103 HydrophobicContact CH2-CB 3.76Å; W53-A103 HydrophobicContact CZ2-CB 3.93Å; W53-A103 HydrophobicContact CZ3-CB 3.79Å; W53-Y118 AromaticContact CH2-CE2 3.67Å; W53-Y118 HydrophobicContact CH2-CE2 3.67Å; W53-Y118 HydrophobicContact CZ3-CD2 4.24Å; W53-Y118 AromaticContact CZ3-CE2 3.72Å; W53-Y118 HydrophobicContact CZ3-CE2 3.72Å
54T94.9Very high88.4Confident17 Ų1758.4 Ų58.410%0.10430%0.302CS..EExtended strand (participates in β ladder)trans-124.8138.6180-67.20000110.3N56 F58 Y101 R102T54-N56 WeakPolarHBondContact CG2-O 3.3Å; T54-F58 CarbonylContact C-O 3.58Å; T54-F58 WeakPolarHBondContact CA-O 3.05Å; T54-Y101 WeakPolarHBondContact O-CA 3.31Å; T54-R102 PolarHBondContact N-O 3.46Å; T54-R102 PolarHBondContact O-N 3.01Å
55F94.2Very high88.9Confident25 Ų2560.3 Ų60.311%0.1130%0.299CS..EExtended strand (participates in β ladder)trans-111.4119.2169.7171.5-116.4000109.1T57 F58 V60 K75 S98 V100 Y101F55-T57 PolarHBondContact O-N 3.44Å; F55-F58 PolarHBondContact N-O 3.48Å; F55-F58 PolarHBondContact O-N 2.96Å; F55-V60 HydrophobicContact CB-CG1 3.74Å; F55-K75 VanDerWaalsContact CE1-CE 3.49Å; F55-K75 VanDerWaalsContact CZ-NZ 3.25Å; F55-S98 WeakPolarHBondContact CZ-O 3.33Å; F55-V100 WeakPolarHBondContact CA-O 3.33Å; F55-V100 WeakPolarHBondContact CD2-O 3.4Å; F55-Y101 HydrophobicContact CB-CD1 4.15Å; F55-Y101 HydrophobicContact CB-CE1 3.93Å; F55-Y101 AromaticContact CD2-CD1 3.94Å; F55-Y101 HydrophobicContact CD2-CD1 3.94Å; F55-Y101 HydrophobicContact CD2-CD2 4.01Å; F55-Y101 AromaticContact CD2-CE1 3.45Å; F55-Y101 HydrophobicContact CD2-CE1 3.45Å; F55-Y101 VanDerWaalsContact CD2-CE1 3.45Å; F55-Y101 AromaticContact CD2-CE2 3.49Å; F55-Y101 HydrophobicContact CD2-CE2 3.49Å; F55-Y101 VanDerWaalsContact CD2-CE2 3.49Å; F55-Y101 HydrophobicContact CD2-CG 4.21Å; F55-Y101 AromaticContact CD2-CZ 3.2Å; F55-Y101 WeakPolarHBondContact CD2-OH 3.3Å; F55-Y101 HydrophobicContact CE2-CD2 4.4Å; F55-Y101 HydrophobicContact CE2-CE1 4.25Å; F55-Y101 AromaticContact CE2-CE2 3.61Å; F55-Y101 HydrophobicContact CE2-CE2 3.61Å; F55-Y101 AromaticContact CE2-CZ 3.53Å; F55-Y101 WeakPolarHBondContact CE2-OH 3.33Å; F55-Y101 HydrophobicContact CG-CD1 4.47Å; F55-Y101 AromaticContact CG-CE1 3.94Å; F55-Y101 HydrophobicContact CG-CE1 3.94Å
56N91.8Very high89.3Confident80 Ų8063.5 Ų63.543%0.42832%0.318SS..THydrogen-bonded Turntrans50.1-96.7-165.6-59.4-32.7000111T54 V100T54-N56 WeakPolarHBondContact CG2-O 3.3Å; N56-V100 PolarHBondContact N-O 2.88Å; N56-V100 PolarHBondContact OD1-N 3.5Å
57T88.9Confident90.1Very high116 Ų11657.1 Ų57.171%0.71229%0.294SS*.THydrogen-bonded Turntrans-112.6-4178.451.90000114.4F55F55-T57 PolarHBondContact O-N 3.44Å
58F91Very high90.3Very high149 Ų14954.4 Ų54.465%0.65429%0.291SS*.EExtended strand (participates in β ladder)trans-106.8125-172.7-59.4-79.3000112.2T54 F55 V60T54-F58 CarbonylContact C-O 3.58Å; T54-F58 WeakPolarHBondContact CA-O 3.05Å; F55-F58 PolarHBondContact N-O 3.48Å; F55-F58 PolarHBondContact O-N 2.96Å; F58-V60 PolarHBondContact O-N 2.91Å
59T92.9Very high90.3Very high62 Ų6259.9 Ų59.938%0.3831%0.313SS..EExtended strand (participates in β ladder)trans-64.1124172.2-43.80000110.2I52 W53 I62 L71I52-T59 HydrophobicContact CG2-CG2 3.56Å; W53-T59 CarbonylContact O-C 3.51Å; W53-T59 WeakPolarHBondContact O-CA 3.38Å; W53-T59 WeakPolarHBondContact O-CG2 3.47Å; T59-I62 HydrophobicContact CG2-CG1 4.31Å; T59-L71 HydrophobicContact CG2-CD1 3.6Å; T59-L71 WeakPolarHBondContact O-CD1 3.47Å
60V93.4Very high90Very high5 Ų558.9 Ų58.93%0.0331%0.309CS..EExtended strand (participates in β ladder)trans-102.8-30.5-178.6-66.90000113.2W53 F55 F58 L71 N73 I79 M88W53-V60 HydrophobicContact CB-CG2 3.9Å; W53-V60 WeakPolarHBondContact O-CG2 3.47Å; W53-V60 PolarHBondContact O-N 3.4Å; F55-V60 HydrophobicContact CB-CG1 3.74Å; F58-V60 PolarHBondContact O-N 2.91Å; V60-L71 PolarHBondContact O-N 3.4Å; V60-N73 WeakPolarHBondContact CA-ND2 3.34Å; V60-N73 PolarHBondContact O-ND2 3.39Å; V60-I79 HydrophobicContact CB-CD1 3.93Å; V60-I79 HydrophobicContact CG2-CD1 4.21Å; V60-M88 HydrophobicContact CG2-CE 4.37Å; V60-M88 HydrophobicContact CG2-SD 4.06Å
61A93.3Very high89.6Confident0 Ų059.8 Ų59.80%031%0.313CS..EExtended strand (participates in β ladder)trans-155.9157.3176.700000112W53 K69 F81W53-A61 HydrophobicContact CB-CB 4.32Å; W53-A61 PolarHBondContact N-O 2.71Å; W53-A61 PolarHBondContact O-N 3.1Å; A61-K69 WeakPolarHBondContact CA-O 3.43Å; A61-F81 HydrophobicContact CB-CE2 3.76Å; A61-F81 HydrophobicContact CB-CZ 3.7Å
62I93.1Very high88.7Confident54 Ų5468.6 Ų68.628%0.27735%0.354SS..EExtended strand (participates in β ladder)trans-125.9128.6168.8-57.5173.9000106.9T50 T59 K69T50-I62 HydrophobicContact CG2-CG2 3.74Å; T59-I62 HydrophobicContact CG2-CG1 4.31Å; I62-K69 PolarHBondContact N-O 3.49Å; I62-K69 PolarHBondContact O-N 3.11Å
63V92.6Very high87.8Confident4 Ų468.4 Ų68.42%0.02435%0.353CS..EExtended strand (participates in β ladder)trans-125.5121.3-175.2-172.10000109.7T50 V51 A68 F81 Y86T50-V63 CarbonylContact C-O 3.58Å; T50-V63 WeakPolarHBondContact CA-O 3.4Å; V51-V63 PolarHBondContact N-O 3.43Å; V51-V63 PolarHBondContact O-N 2.84Å; V63-A68 HydrophobicContact CG1-CB 4.16Å; V63-A68 HydrophobicContact CG2-CB 4.15Å; V63-F81 HydrophobicContact CG2-CD1 3.76Å; V63-F81 HydrophobicContact CG2-CD2 4.2Å; V63-F81 HydrophobicContact CG2-CE1 3.44Å; V63-F81 VanDerWaalsContact CG2-CE1 3.44Å; V63-F81 HydrophobicContact CG2-CE2 3.89Å; V63-F81 HydrophobicContact CG2-CG 4.13Å; V63-F81 HydrophobicContact CG2-CZ 3.52Å; V63-Y86 HydrophobicContact CB-CD1 4.2Å; V63-Y86 HydrophobicContact CG1-CD1 3.81Å; V63-Y86 HydrophobicContact CG1-CE1 4.36Å
64N89.4Confident86.9Confident49 Ų4975 Ų7526%0.26240%0.396SS..EExtended strand (participates in β ladder)trans-110.7166.4171.7-48.7-54.9000108.4T50 D66 N67T50-N64 WeakPolarHBondContact CG2-OD1 3.49Å; T50-N64 PolarHBondContact OG1-OD1 2.94Å; T50-N64 VanDerWaalsContact OG1-OD1 3.04Å; N64-D66 PolarHBondContact O-N 3.43Å; N64-N67 PolarHBondContact N-O 2.9Å; N64-N67 PolarHBondContact ND2-OD1 3.28Å; N64-N67 PolarHBondContact O-N 2.74Å; N64-N67 VanDerWaalsContact O-O 3.05Å
65K79.7Confident86Confident153 Ų15375.1 Ų75.167%0.66540%0.395SS*.THydrogen-bonded Turntrans-44.8-41.5177.5-174.9-176.2175.6-173.60114.7Y86K65-Y86 WeakPolarHBondContact CA-OH 3.47Å; K65-Y86 PolarHBondContact N-OH 3.1Å
66D79.1Confident85.3Confident139 Ų13978.4 Ų78.474%0.74341%0.409SS*.THydrogen-bonded Turntrans-106.1-4.4-172-43.4-70.1000113.8N64N64-D66 PolarHBondContact O-N 3.43Å
67N83.7Confident84.7Confident87 Ų8783.7 Ų83.747%0.46543%0.431SS..EExtended strand (participates in β ladder)trans-159.6144.4-178.954.278.5000114.3N64N64-N67 PolarHBondContact N-O 2.9Å; N64-N67 PolarHBondContact ND2-OD1 3.28Å; N64-N67 PolarHBondContact O-N 2.74Å; N64-N67 VanDerWaalsContact O-O 3.05Å
68A86.3Confident84.7Confident51 Ų5179.2 Ų79.242%0.42140%0.402SS..EExtended strand (participates in β ladder)trans-113.7117.5169.600000110.6V63 F81V63-A68 HydrophobicContact CG1-CB 4.16Å; V63-A68 HydrophobicContact CG2-CB 4.15Å; A68-F81 HydrophobicContact CB-CB 4.12Å; A68-F81 HydrophobicContact CB-CD2 3.62Å; A68-F81 HydrophobicContact CB-CE2 4.34Å; A68-F81 HydrophobicContact CB-CG 3.96Å
69K87.3Confident84.8Confident137 Ų13772.5 Ų72.560%0.59637%0.373SS*.EExtended strand (participates in β ladder)trans-106.294.6178.7-174179179.91800110.2A61 I62 L71A61-K69 WeakPolarHBondContact CA-O 3.43Å; I62-K69 PolarHBondContact N-O 3.49Å; I62-K69 PolarHBondContact O-N 3.11Å; K69-L71 PolarHBondContact O-N 3.1Å
70V83.4Confident84.7Confident33 Ų3374.3 Ų74.320%0.238%0.379CS..EExtended strand (participates in β ladder)trans-70.9124.5169.3-165.20000109.1K76 I79 F81V70-K76 HydrophobicContact CB-CG 4.2Å; V70-K76 HydrophobicContact CG1-CB 4.24Å; V70-K76 HydrophobicContact CG1-CG 3.82Å; V70-I79 HydrophobicContact CG1-CB 4.09Å; V70-I79 HydrophobicContact CG1-CD1 4.24Å; V70-I79 HydrophobicContact CG1-CG2 4.09Å; V70-I79 HydrophobicContact CG2-CG2 3.99Å; V70-F81 HydrophobicContact CG2-CE2 4.15Å
71L83.6Confident84.5Confident54 Ų5475.8 Ų75.828%0.28339%0.386SS..  trans-74.3159.8179.6-70.2165.8000110.8T59 V60 K69 N73T59-L71 HydrophobicContact CG2-CD1 3.6Å; T59-L71 WeakPolarHBondContact O-CD1 3.47Å; V60-L71 PolarHBondContact O-N 3.4Å; K69-L71 PolarHBondContact O-N 3.1Å; L71-N73 PolarHBondContact O-N 3.43Å; L71-N73 PolarHBondContact O-ND2 2.71Å; L71-N73 VanDerWaalsContact O-ND2 3.1Å
72Q73.4Confident83.9Confident184 Ų18477.9 Ų77.986%0.8640%0.399SS*.SBendtrans-79.393.3-177.8-170.2152-8.700110.8
73N77.3Confident82.8Confident37 Ų3783.2 Ų83.220%0.19843%0.428CS..SBendtrans-137.1166.3178.465.164.7000110.2V60 L71 K75 K76V60-N73 WeakPolarHBondContact CA-ND2 3.34Å; V60-N73 PolarHBondContact O-ND2 3.39Å; L71-N73 PolarHBondContact O-N 3.43Å; L71-N73 PolarHBondContact O-ND2 2.71Å; L71-N73 VanDerWaalsContact O-ND2 3.1Å; N73-K75 PolarHBondContact O-N 3.45Å; N73-K75 VanDerWaalsContact OD1-CA 3.29Å; N73-K75 WeakPolarHBondContact OD1-CA 3.19Å; N73-K75 WeakPolarHBondContact OD1-CB 3.49Å; N73-K75 PolarHBondContact OD1-N 3.01Å; N73-K76 WeakPolarHBondContact O-CB 3.44Å; N73-K76 PolarHBondContact O-N 2.83Å; N73-K76 PolarHBondContact OD1-N 2.97Å; N73-K76 VanDerWaalsContact OD1-N 3.16Å
74P75.9Confident81.4Confident138 Ų13886.2 Ų86.290%0.89646%0.46SS*.THydrogen-bonded Turntrans-63.3-6-179-24.735.8000116.1
75K76.3Confident80.8Confident21 Ų2185.9 Ų85.99%0.09146%0.461CS..THydrogen-bonded Turntrans-103.90.1175.8-46.4-168.4-173.6-1480113F55 N73 E77 K78 I79 L90 D97 Y101F55-K75 VanDerWaalsContact CE1-CE 3.49Å; F55-K75 VanDerWaalsContact CZ-NZ 3.25Å; N73-K75 PolarHBondContact O-N 3.45Å; N73-K75 VanDerWaalsContact OD1-CA 3.29Å; N73-K75 WeakPolarHBondContact OD1-CA 3.19Å; N73-K75 WeakPolarHBondContact OD1-CB 3.49Å; N73-K75 PolarHBondContact OD1-N 3.01Å; K75-E77 VanDerWaalsContact C-N 3.28Å; K75-E77 PolarHBondContact O-N 3.3Å; K75-E77 VanDerWaalsContact O-N 3.14Å; K75-K78 WeakPolarHBondContact O-CB 3.49Å; K75-K78 PolarHBondContact O-N 3.12Å; K75-I79 HydrophobicContact CB-CD1 3.95Å; K75-I79 HydrophobicContact CB-CG1 4.38Å; K75-I79 PolarHBondContact O-N 3.46Å; K75-L90 HydrophobicContact CB-CD1 4.49Å; K75-D97 WeakPolarHBondContact CD-OD1 2.97Å; K75-D97 WeakPolarHBondContact CE-OD1 3.01Å; K75-D97 IonicContact NZ-OD1 3.57Å; K75-D97 PolarHBondContact NZ-OD1 3.29Å; K75-Y101 PolarHBondContact NZ-OH 3.21Å
76K78Confident81.3Confident94 Ų9480.4 Ų80.441%0.40944%0.437SS..G310 helixtrans-50.4-44.5-171.1-174.9-172.8-178.9-172.20113.4V70 N73 K78V70-K76 HydrophobicContact CB-CG 4.2Å; V70-K76 HydrophobicContact CG1-CB 4.24Å; V70-K76 HydrophobicContact CG1-CG 3.82Å; N73-K76 WeakPolarHBondContact O-CB 3.44Å; N73-K76 PolarHBondContact O-N 2.83Å; N73-K76 PolarHBondContact OD1-N 2.97Å; N73-K76 VanDerWaalsContact OD1-N 3.16Å; K76-K78 VanDerWaalsContact C-N 3.31Å; K76-K78 PolarHBondContact O-N 2.9Å
77E80.9Confident81.9Confident191 Ų19174.7 Ų74.789%0.89341%0.407SS*.G310 helixtrans-77.3-14.4-177.7-64.8170.5-176.900113.6K75K75-E77 VanDerWaalsContact C-N 3.28Å; K75-E77 PolarHBondContact O-N 3.3Å; K75-E77 VanDerWaalsContact O-N 3.14Å
78K88.8Confident82.3Confident22 Ų2270.5 Ų70.510%0.09639%0.385CS..G310 helixtrans-87.7-21.8177.3-62.3-179.7166.8-146.60113.6K75 K76 L90 S91 Q92 D97K75-K78 WeakPolarHBondContact O-CB 3.49Å; K75-K78 PolarHBondContact O-N 3.12Å; K76-K78 VanDerWaalsContact C-N 3.31Å; K76-K78 PolarHBondContact O-N 2.9Å; K78-L90 HydrophobicContact CB-CD1 3.7Å; K78-L90 HydrophobicContact CD-CD1 4.3Å; K78-S91 WeakPolarHBondContact CB-O 3.37Å; K78-S91 VanDerWaalsContact CD-O 3.31Å; K78-S91 WeakPolarHBondContact CD-O 3.32Å; K78-S91 WeakPolarHBondContact CG-O 3.49Å; K78-S91 PolarHBondContact O-N 3.36Å; K78-S91 PolarHBondContact O-OG 2.88Å; K78-Q92 WeakPolarHBondContact CE-O 3.21Å; K78-Q92 PolarHBondContact NZ-O 3.29Å; K78-D97 IonicContact NZ-OD1 2.63Å; K78-D97 IonicContact NZ-OD2 3.87Å; K78-D97 PolarHBondContact NZ-OD2 3.23Å
79I91.7Very high82.7Confident7 Ų771.6 Ų71.64%0.03638%0.38CS..EExtended strand (participates in β ladder)trans-92.3124.5-169.6-70169.9000109.6V60 V70 K75 F81 M88 K89 L90V60-I79 HydrophobicContact CB-CD1 3.93Å; V60-I79 HydrophobicContact CG2-CD1 4.21Å; V70-I79 HydrophobicContact CG1-CB 4.09Å; V70-I79 HydrophobicContact CG1-CD1 4.24Å; V70-I79 HydrophobicContact CG1-CG2 4.09Å; V70-I79 HydrophobicContact CG2-CG2 3.99Å; K75-I79 HydrophobicContact CB-CD1 3.95Å; K75-I79 HydrophobicContact CB-CG1 4.38Å; K75-I79 PolarHBondContact O-N 3.46Å; I79-F81 HydrophobicContact CG2-CD2 4.37Å; I79-F81 HydrophobicContact CG2-CE2 3.58Å; I79-F81 HydrophobicContact CG2-CZ 3.99Å; I79-M88 HydrophobicContact CD1-SD 4.24Å; I79-M88 HydrophobicContact CG1-SD 4.26Å; I79-M88 HydrophobicContact CG2-CG 3.93Å; I79-M88 HydrophobicContact CG2-SD 3.88Å; I79-K89 WeakPolarHBondContact CA-O 3.48Å; I79-L90 HydrophobicContact CG1-CD1 3.68Å
80L90.7Very high83.1Confident100 Ų10065.1 Ų65.152%0.52435%0.352SS..EExtended strand (participates in β ladder)trans-133.3149.2179.6-62.7173000110.3K89L80-K89 HydrophobicContact CB-CB 4.47Å; L80-K89 PolarHBondContact N-O 3Å; L80-K89 PolarHBondContact O-N 3Å
81F89.5Confident83.7Confident37 Ų3764.6 Ų64.616%0.16235%0.35CS..  trans-118.393.5176.6-70.3-78.1000109W53 A61 V63 A68 V70 I79 S87 M88W53-F81 AromaticContact CD1-CE1 3.79Å; W53-F81 AromaticContact CD1-CZ 3.92Å; W53-F81 AromaticContact NE1-CE1 3.67Å; A61-F81 HydrophobicContact CB-CE2 3.76Å; A61-F81 HydrophobicContact CB-CZ 3.7Å; V63-F81 HydrophobicContact CG2-CD1 3.76Å; V63-F81 HydrophobicContact CG2-CD2 4.2Å; V63-F81 HydrophobicContact CG2-CE1 3.44Å; V63-F81 VanDerWaalsContact CG2-CE1 3.44Å; V63-F81 HydrophobicContact CG2-CE2 3.89Å; V63-F81 HydrophobicContact CG2-CG 4.13Å; V63-F81 HydrophobicContact CG2-CZ 3.52Å; A68-F81 HydrophobicContact CB-CB 4.12Å; A68-F81 HydrophobicContact CB-CD2 3.62Å; A68-F81 HydrophobicContact CB-CE2 4.34Å; A68-F81 HydrophobicContact CB-CG 3.96Å; V70-F81 HydrophobicContact CG2-CE2 4.15Å; I79-F81 HydrophobicContact CG2-CD2 4.37Å; I79-F81 HydrophobicContact CG2-CE2 3.58Å; I79-F81 HydrophobicContact CG2-CZ 3.99Å; F81-S87 WeakPolarHBondContact CD1-O 3.45Å; F81-M88 HydrophobicContact CD1-CB 4.43Å; F81-M88 HydrophobicContact CE1-CB 3.56Å; F81-M88 HydrophobicContact CE1-CG 3.9Å; F81-M88 HydrophobicContact CZ-CB 3.96Å; F81-M88 HydrophobicContact CZ-CG 3.78Å; F81-M88 HydrophobicContact CZ-SD 4.13Å
82P81.4Confident84.3Confident43 Ų4368.2 Ų68.228%0.27937%0.366SS..G310 helixtrans-66.9143.8-177.327.1-33.9000111.8G84 S85P82-G84 PolarHBondContact O-N 3.09Å; P82-G84 VanDerWaalsContact O-N 3.08Å; P82-S85 WeakPolarHBondContact O-CB 3.24Å; P82-S85 PolarHBondContact O-N 3.41Å; P82-S85 PolarHBondContact O-OG 3.5Å
83D69.1Low85.3Confident167 Ų16759.6 Ų59.689%0.89333%0.325SS*.G310 helixtrans55.228.9165.4-47.1-39.4000115.6S85D83-S85 PolarHBondContact O-N 2.8Å
84G64.7Low86.1Confident66 Ų6663.6 Ų63.668%0.6834%0.341SS*.G310 helixtrans68.711.4-17700000114P82P82-G84 PolarHBondContact O-N 3.09Å; P82-G84 VanDerWaalsContact O-N 3.08Å
85S76.3Confident86.8Confident42 Ų4260.8 Ų60.829%0.29431%0.314SS..  trans-81.3151.8179.875.20000112.1P82 D83 S87P82-S85 WeakPolarHBondContact O-CB 3.24Å; P82-S85 PolarHBondContact O-N 3.41Å; P82-S85 PolarHBondContact O-OG 3.5Å; D83-S85 PolarHBondContact O-N 2.8Å; S85-S87 PolarHBondContact O-N 2.9Å; S85-S87 VanDerWaalsContact O-N 3.15Å
86Y89.4Confident87.6Confident39 Ų3965.5 Ų65.515%0.15334%0.341CS..SBendtrans-68.7-5173.1-57.1-81.6000113.9V41 I48 V51 W53 V63 K65V41-Y86 WeakPolarHBondContact CG2-O 3.37Å; I48-Y86 HydrophobicContact CB-CD2 4.27Å; I48-Y86 HydrophobicContact CB-CE1 4.42Å; I48-Y86 HydrophobicContact CB-CE2 3.77Å; I48-Y86 HydrophobicContact CD1-CD2 3.92Å; I48-Y86 HydrophobicContact CD1-CE2 4.18Å; I48-Y86 HydrophobicContact CG2-CD1 4.08Å; I48-Y86 HydrophobicContact CG2-CD2 4.25Å; I48-Y86 HydrophobicContact CG2-CE1 3.83Å; I48-Y86 HydrophobicContact CG2-CE2 4.01Å; I48-Y86 HydrophobicContact CG2-CG 4.29Å; I48-Y86 PolarHBondContact O-OH 2.63Å; V51-Y86 HydrophobicContact CB-CD1 4.14Å; V51-Y86 HydrophobicContact CG2-CD1 3.66Å; V51-Y86 HydrophobicContact CG2-CG 3.84Å; W53-Y86 PolarHBondContact NE1-O 3.39Å; V63-Y86 HydrophobicContact CB-CD1 4.2Å; V63-Y86 HydrophobicContact CG1-CD1 3.81Å; V63-Y86 HydrophobicContact CG1-CE1 4.36Å; K65-Y86 WeakPolarHBondContact CA-OH 3.47Å; K65-Y86 PolarHBondContact N-OH 3.1Å
87S91.6Very high88.3Confident18 Ų1861.2 Ų61.213%0.12632%0.322CS..PPolyproline II helixtrans-78.6127.2-176.5-63.30000111.5F39 V41 F81 S85F39-S87 WeakPolarHBondContact O-CA 3.47Å; F39-S87 WeakPolarHBondContact O-CB 3.4Å; V41-S87 PolarHBondContact N-OG 2.88Å; V41-S87 VanDerWaalsContact N-OG 3.1Å; F81-S87 WeakPolarHBondContact CD1-O 3.45Å; S85-S87 PolarHBondContact O-N 2.9Å; S85-S87 VanDerWaalsContact O-N 3.15Å
88M93.5Very high89Confident0 Ų054 Ų540%029%0.293CS..EExtended strand (participates in β ladder)trans-88.4124.3-177.2-174170.263.700111.3T38 F39 W53 V60 I79 F81 Y101T38-M88 CarbonylContact C-O 3.58Å; T38-M88 WeakPolarHBondContact CA-O 3.49Å; F39-M88 HydrophobicContact CD2-CB 4.34Å; F39-M88 HydrophobicContact CD2-CE 3.74Å; F39-M88 WeakPolarHBondContact CD2-O 3.33Å; F39-M88 HydrophobicContact CE2-CE 3.95Å; F39-M88 PolarHBondContact N-O 3.22Å; F39-M88 PolarHBondContact O-N 2.89Å; W53-M88 HydrophobicContact CB-SD 4.2Å; W53-M88 HydrophobicContact CD2-CB 3.89Å; W53-M88 HydrophobicContact CD2-CE 3.99Å; W53-M88 HydrophobicContact CD2-SD 4.19Å; W53-M88 HydrophobicContact CE3-CB 4.28Å; W53-M88 HydrophobicContact CE3-CE 3.59Å; W53-M88 HydrophobicContact CE3-SD 4.4Å; W53-M88 HydrophobicContact CG-CB 4.39Å; W53-M88 HydrophobicContact CG-CE 4.41Å; W53-M88 HydrophobicContact CG-SD 4.12Å; W53-M88 HydrophobicContact CH2-CB 4.18Å; W53-M88 HydrophobicContact CZ2-CB 3.77Å; W53-M88 HydrophobicContact CZ3-CB 4.41Å; W53-M88 HydrophobicContact CZ3-CE 4.1Å; V60-M88 HydrophobicContact CG2-CE 4.37Å; V60-M88 HydrophobicContact CG2-SD 4.06Å; I79-M88 HydrophobicContact CD1-SD 4.24Å; I79-M88 HydrophobicContact CG1-SD 4.26Å; I79-M88 HydrophobicContact CG2-CG 3.93Å; I79-M88 HydrophobicContact CG2-SD 3.88Å; F81-M88 HydrophobicContact CD1-CB 4.43Å; F81-M88 HydrophobicContact CE1-CB 3.56Å; F81-M88 HydrophobicContact CE1-CG 3.9Å; F81-M88 HydrophobicContact CZ-CB 3.96Å; F81-M88 HydrophobicContact CZ-CG 3.78Å; F81-M88 HydrophobicContact CZ-SD 4.13Å; M88-Y101 HydrophobicContact CE-CD1 3.67Å; M88-Y101 HydrophobicContact CE-CE1 4.14Å
89K94.4Very high89.3Confident74 Ų7453.9 Ų53.932%0.32230%0.298SS..EExtended strand (participates in β ladder)trans-96.5127.1166.1-174173.5-176.9176.40109.9S36 V37 I79 L80S36-K89 VanDerWaalsContact OG-CE 3.26Å; S36-K89 WeakPolarHBondContact OG-CE 2.9Å; V37-K89 WeakPolarHBondContact O-CA 3.09Å; I79-K89 WeakPolarHBondContact CA-O 3.48Å; L80-K89 HydrophobicContact CB-CB 4.47Å; L80-K89 PolarHBondContact N-O 3Å; L80-K89 PolarHBondContact O-N 3Å
90L95.7Very high89.6Confident0 Ų056 Ų560%031%0.311CS..EExtended strand (participates in β ladder)trans-112.3129.3173.9-176.168.4000109.4S36 V37 F39 K75 K78 I79 L93 D97 Y101 L120S36-L90 CarbonylContact C-O 3.5Å; S36-L90 WeakPolarHBondContact CA-O 3.47Å; S36-L90 VanDerWaalsContact CB-O 3.24Å; S36-L90 WeakPolarHBondContact CB-O 3.27Å; V37-L90 HydrophobicContact CG2-CB 4.44Å; V37-L90 PolarHBondContact N-O 2.81Å; V37-L90 PolarHBondContact O-N 3.26Å; F39-L90 HydrophobicContact CE2-CB 4.09Å; F39-L90 HydrophobicContact CE2-CD2 4.49Å; K75-L90 HydrophobicContact CB-CD1 4.49Å; K78-L90 HydrophobicContact CB-CD1 3.7Å; K78-L90 HydrophobicContact CD-CD1 4.3Å; I79-L90 HydrophobicContact CG1-CD1 3.68Å; L90-L93 HydrophobicContact CB-CD2 4.33Å; L90-L93 HydrophobicContact CD2-CD2 3.61Å; L90-L93 HydrophobicContact CG-CD2 3.73Å; L90-D97 HydrophobicContact CD2-CB 4.21Å; L90-Y101 HydrophobicContact CD2-CE1 4.14Å; L90-Y101 VanDerWaalsContact CD2-OH 3.3Å; L90-Y101 WeakPolarHBondContact CD2-OH 3Å; L90-L120 HydrophobicContact CD2-CD2 4.29Å
91S95.7Very high89.9Confident22 Ų2251.4 Ų51.415%0.15429%0.287CS..EExtended strand (participates in β ladder)trans-120.1167.6-173.6630000113.8G35 K78 L93G35-S91 CarbonylContact O-C 3.56Å; K78-S91 WeakPolarHBondContact CB-O 3.37Å; K78-S91 VanDerWaalsContact CD-O 3.31Å; K78-S91 WeakPolarHBondContact CD-O 3.32Å; K78-S91 WeakPolarHBondContact CG-O 3.49Å; K78-S91 PolarHBondContact O-N 3.36Å; K78-S91 PolarHBondContact O-OG 2.88Å; S91-L93 VanDerWaalsContact C-N 3.34Å; S91-L93 PolarHBondContact O-N 3.35Å
92Q95.1Very high90.2Very high131 Ų13152.6 Ų52.661%0.61229%0.29SS*.SBendtrans53.146.8-179.6-54.2-177.711.700112.8G34 G35 K78G34-Q92 WeakPolarHBondContact O-CA 3.36Å; G35-Q92 PolarHBondContact O-N 2.77Å; K78-Q92 WeakPolarHBondContact CE-O 3.21Å; K78-Q92 PolarHBondContact NZ-O 3.29Å
93L95.7Very high90.8Very high2 Ų250.5 Ų50.51%0.0128%0.277CS..  trans-56.4139.8-170-64175.7000113.5G34 G35 V37 L90 S91 D97 L120 V122G34-L93 PolarHBondContact N-O 3.14Å; G35-L93 PolarHBondContact O-N 2.99Å; G35-L93 VanDerWaalsContact O-N 3.17Å; V37-L93 HydrophobicContact CG1-CD1 3.96Å; V37-L93 HydrophobicContact CG2-CD1 4.18Å; V37-L93 HydrophobicContact CG2-CD2 4.38Å; L90-L93 HydrophobicContact CB-CD2 4.33Å; L90-L93 HydrophobicContact CD2-CD2 3.61Å; L90-L93 HydrophobicContact CG-CD2 3.73Å; S91-L93 VanDerWaalsContact C-N 3.34Å; S91-L93 PolarHBondContact O-N 3.35Å; L93-D97 HydrophobicContact CD2-CB 4.18Å; L93-L120 HydrophobicContact CD2-CD2 4.04Å; L93-V122 HydrophobicContact CB-CG1 3.89Å; L93-V122 HydrophobicContact CB-CG2 4.19Å; L93-V122 HydrophobicContact CD1-CG2 4.35Å
94K93.7Very high92Very high121 Ų12144.5 Ų44.553%0.52624%0.243SC..  trans-119.7160173.4-66.4179.5179.9-176.20109.3N96 D97K94-N96 VanDerWaalsContact CB-OD1 3.26Å; K94-N96 WeakPolarHBondContact CB-OD1 3.28Å; K94-N96 PolarHBondContact O-N 3.09Å; K94-N96 VanDerWaalsContact O-N 3.14Å; K94-D97 PolarHBondContact N-OD2 3.02Å; K94-D97 VanDerWaalsContact O-CB 3.31Å; K94-D97 WeakPolarHBondContact O-CB 3.41Å; K94-D97 PolarHBondContact O-N 3.4Å
95K91.3Very high93.3Very high79 Ų7941.4 Ų41.434%0.34321%0.211SC..G310 helixtrans-52.6-38.8177.5-72.3-149.8-175.7-166.30113.1L33 D97 S98 E124 D156L33-K95 HydrophobicContact CD1-CG 4.37Å; K95-D97 PolarHBondContact O-N 3.2Å; K95-S98 VanDerWaalsContact O-CB 3.25Å; K95-S98 WeakPolarHBondContact O-CB 3.45Å; K95-S98 PolarHBondContact O-N 3.04Å; K95-S98 VanDerWaalsContact O-N 3.07Å; K95-S98 PolarHBondContact O-OG 3.21Å; K95-E124 WeakPolarHBondContact CE-OE1 3.27Å; K95-E124 WeakPolarHBondContact CE-OE2 3.37Å; K95-E124 IonicContact NZ-OE1 2.78Å; K95-E124 IonicContact NZ-OE2 3.6Å; K95-E124 PolarHBondContact NZ-OE2 3.05Å; K95-D156 IonicContact NZ-OD2 2.74Å; K95-D156 PolarHBondContact NZ-OD2 3.28Å
96N92.3Very high94.1Very high121 Ų12142.6 Ų42.665%0.64721%0.212SC*.G310 helixtrans-754.2176.174.7-24.9000115.2K94K94-N96 VanDerWaalsContact CB-OD1 3.26Å; K94-N96 WeakPolarHBondContact CB-OD1 3.28Å; K94-N96 PolarHBondContact O-N 3.09Å; K94-N96 VanDerWaalsContact O-N 3.14Å
97D93.9Very high94.1Very high4 Ų441.2 Ų41.22%0.02121%0.208CC..G310 helixtrans-83.5-13.5163-70.4-53.5000113.1K75 K78 L90 L93 K94 K95 Y101 V122K75-D97 WeakPolarHBondContact CD-OD1 2.97Å; K75-D97 WeakPolarHBondContact CE-OD1 3.01Å; K75-D97 IonicContact NZ-OD1 3.57Å; K75-D97 PolarHBondContact NZ-OD1 3.29Å; K78-D97 IonicContact NZ-OD1 2.63Å; K78-D97 IonicContact NZ-OD2 3.87Å; K78-D97 PolarHBondContact NZ-OD2 3.23Å; L90-D97 HydrophobicContact CD2-CB 4.21Å; L93-D97 HydrophobicContact CD2-CB 4.18Å; K94-D97 PolarHBondContact N-OD2 3.02Å; K94-D97 VanDerWaalsContact O-CB 3.31Å; K94-D97 WeakPolarHBondContact O-CB 3.41Å; K94-D97 PolarHBondContact O-N 3.4Å; K95-D97 PolarHBondContact O-N 3.2Å; D97-Y101 VanDerWaalsContact O-CE2 3.28Å; D97-Y101 WeakPolarHBondContact O-CE2 3.28Å; D97-Y101 PolarHBondContact O-OH 3.02Å; D97-V122 HydrophobicContact CB-CG2 4.31Å
98S95.3Very high93.9Very high39 Ų3946 Ų4627%0.27324%0.237SC..  trans-61.5151.1171.4-48.80000111.7F55 K95 L120 V122F55-S98 WeakPolarHBondContact CZ-O 3.33Å; K95-S98 VanDerWaalsContact O-CB 3.25Å; K95-S98 WeakPolarHBondContact O-CB 3.45Å; K95-S98 PolarHBondContact O-N 3.04Å; K95-S98 VanDerWaalsContact O-N 3.07Å; K95-S98 PolarHBondContact O-OG 3.21Å; S98-L120 CarbonylContact C-O 3.46Å; S98-L120 WeakPolarHBondContact CA-O 3.49Å; S98-L120 VanDerWaalsContact CB-O 3.29Å; S98-L120 WeakPolarHBondContact CB-O 3.48Å; S98-V122 WeakPolarHBondContact OG-CB 3.46Å; S98-V122 PolarHBondContact OG-N 2.88Å
99G95.5Very high93.4Very high19 Ų1949.2 Ų49.220%0.19626%0.259CS..EExtended strand (participates in β ladder)trans133.4-169.3-17800000113.1L120G99-L120 PolarHBondContact N-O 2.75Å; G99-L120 PolarHBondContact O-N 2.02Å
100V96.6Very high92.8Very high53 Ų5348 Ų4832%0.32126%0.256SS..EExtended strand (participates in β ladder)trans-84.9131.3-175.3-176.90000110.3F55 N56 Y118F55-V100 WeakPolarHBondContact CA-O 3.33Å; F55-V100 WeakPolarHBondContact CD2-O 3.4Å; N56-V100 PolarHBondContact N-O 2.88Å; N56-V100 PolarHBondContact OD1-N 3.5Å; V100-Y118 CarbonylContact C-O 3.57Å; V100-Y118 WeakPolarHBondContact CA-O 3.46Å
101Y96.5Very high92.3Very high2 Ų257.8 Ų57.81%0.00830%0.302CS..EExtended strand (participates in β ladder)trans-115.3129.6168.7-69.1-96000108.6F39 T54 F55 K75 M88 L90 D97 E117 Y118 L120F39-Y101 AromaticContact CE1-CD2 3.86Å; F39-Y101 HydrophobicContact CE1-CD2 3.86Å; F39-Y101 AromaticContact CE1-CG 3.93Å; F39-Y101 HydrophobicContact CE1-CG 3.93Å; F39-Y101 AromaticContact CE2-CD1 3.97Å; F39-Y101 HydrophobicContact CE2-CD1 3.97Å; F39-Y101 HydrophobicContact CE2-CD2 4.35Å; F39-Y101 HydrophobicContact CE2-CE1 4.19Å; F39-Y101 HydrophobicContact CE2-CG 4.05Å; F39-Y101 AromaticContact CZ-CD1 3.95Å; F39-Y101 HydrophobicContact CZ-CD1 3.95Å; F39-Y101 AromaticContact CZ-CD2 3.51Å; F39-Y101 HydrophobicContact CZ-CD2 3.51Å; F39-Y101 HydrophobicContact CZ-CE1 4.21Å; F39-Y101 AromaticContact CZ-CE2 3.82Å; F39-Y101 HydrophobicContact CZ-CE2 3.82Å; F39-Y101 AromaticContact CZ-CG 3.58Å; F39-Y101 HydrophobicContact CZ-CG 3.58Å; T54-Y101 WeakPolarHBondContact O-CA 3.31Å; F55-Y101 HydrophobicContact CB-CD1 4.15Å; F55-Y101 HydrophobicContact CB-CE1 3.93Å; F55-Y101 AromaticContact CD2-CD1 3.94Å; F55-Y101 HydrophobicContact CD2-CD1 3.94Å; F55-Y101 HydrophobicContact CD2-CD2 4.01Å; F55-Y101 AromaticContact CD2-CE1 3.45Å; F55-Y101 HydrophobicContact CD2-CE1 3.45Å; F55-Y101 VanDerWaalsContact CD2-CE1 3.45Å; F55-Y101 AromaticContact CD2-CE2 3.49Å; F55-Y101 HydrophobicContact CD2-CE2 3.49Å; F55-Y101 VanDerWaalsContact CD2-CE2 3.49Å; F55-Y101 HydrophobicContact CD2-CG 4.21Å; F55-Y101 AromaticContact CD2-CZ 3.2Å; F55-Y101 WeakPolarHBondContact CD2-OH 3.3Å; F55-Y101 HydrophobicContact CE2-CD2 4.4Å; F55-Y101 HydrophobicContact CE2-CE1 4.25Å; F55-Y101 AromaticContact CE2-CE2 3.61Å; F55-Y101 HydrophobicContact CE2-CE2 3.61Å; F55-Y101 AromaticContact CE2-CZ 3.53Å; F55-Y101 WeakPolarHBondContact CE2-OH 3.33Å; F55-Y101 HydrophobicContact CG-CD1 4.47Å; F55-Y101 AromaticContact CG-CE1 3.94Å; F55-Y101 HydrophobicContact CG-CE1 3.94Å; K75-Y101 PolarHBondContact NZ-OH 3.21Å; M88-Y101 HydrophobicContact CE-CD1 3.67Å; M88-Y101 HydrophobicContact CE-CE1 4.14Å; L90-Y101 HydrophobicContact CD2-CE1 4.14Å; L90-Y101 VanDerWaalsContact CD2-OH 3.3Å; L90-Y101 WeakPolarHBondContact CD2-OH 3Å; D97-Y101 VanDerWaalsContact O-CE2 3.28Å; D97-Y101 WeakPolarHBondContact O-CE2 3.28Å; D97-Y101 PolarHBondContact O-OH 3.02Å; Y101-E117 CarbonylContact O-C 3.52Å; Y101-E117 WeakPolarHBondContact O-CA 3.16Å; Y101-Y118 PolarHBondContact N-O 2.76Å; Y101-Y118 WeakPolarHBondContact O-CD2 3.35Å; Y101-Y118 PolarHBondContact O-N 2.96Å; Y101-L120 HydrophobicContact CD2-CB 3.92Å; Y101-L120 HydrophobicContact CE2-CB 3.69Å; Y101-L120 HydrophobicContact CE2-CD2 3.91Å; Y101-L120 HydrophobicContact CE2-CG 4.44Å
102R95.8Very high91.8Very high62 Ų6257.8 Ų57.823%0.23430%0.302CS..EExtended strand (participates in β ladder)trans-123.9123.1-176.2179.6173.1178.8-89.3-14.7109.5W53 T54 E104 T115 E117W53-R102 WeakPolarHBondContact CA-O 3.35Å; T54-R102 PolarHBondContact N-O 3.46Å; T54-R102 PolarHBondContact O-N 3.01Å; R102-E104 IonicContact CZ-OE2 3.2Å; R102-E104 IonicContact NH1-OE2 2.71Å; R102-E104 PolarHBondContact NH1-OE2 3.34Å; R102-E104 IonicContact NH2-OE2 2.77Å; R102-E104 PolarHBondContact NH2-OE2 2.98Å; R102-T115 HydrophobicContact CG-CG2 3.9Å; R102-T115 VanDerWaalsContact NE-CG2 3.27Å; R102-T115 PolarHBondContact NH2-OG1 3.02Å; R102-E117 HydrophobicContact CB-CG 4.49Å; R102-E117 VanDerWaalsContact CD-OE1 3.31Å; R102-E117 WeakPolarHBondContact CD-OE1 3.43Å; R102-E117 HydrophobicContact CG-CG 4.17Å; R102-E117 IonicContact NE-OE1 3.88Å
103A94.9Very high91.5Very high0 Ų053.2 Ų53.20%028%0.284CS..EExtended strand (participates in β ladder)trans-99.4117.2167.500000108.5V51 W53 Q116V51-A103 HydrophobicContact CG1-CB 3.96Å; W53-A103 HydrophobicContact CD2-CB 4.14Å; W53-A103 HydrophobicContact CE3-CB 3.97Å; W53-A103 HydrophobicContact CH2-CB 3.76Å; W53-A103 HydrophobicContact CZ2-CB 3.93Å; W53-A103 HydrophobicContact CZ3-CB 3.79Å; A103-Q116 HydrophobicContact CB-CB 4.5Å; A103-Q116 PolarHBondContact N-O 2.71Å; A103-Q116 PolarHBondContact O-N 3.32Å
104E94.6Very high91.3Very high41 Ų4154.6 Ų54.619%0.19229%0.289CS..EExtended strand (participates in β ladder)trans-102.4113.4172.4-172.8-179.1102.400108.7V51 I52 R102 H106 P113V51-E104 WeakPolarHBondContact CA-O 3.36Å; I52-E104 HydrophobicContact CB-CB 4.36Å; I52-E104 PolarHBondContact N-O 2.93Å; I52-E104 PolarHBondContact O-N 3.12Å; R102-E104 IonicContact CZ-OE2 3.2Å; R102-E104 IonicContact NH1-OE2 2.71Å; R102-E104 PolarHBondContact NH1-OE2 3.34Å; R102-E104 IonicContact NH2-OE2 2.77Å; R102-E104 PolarHBondContact NH2-OE2 2.98Å; E104-H106 IonicContact OE1-CD2 3.92Å; E104-H106 IonicContact OE1-CE1 2.8Å; E104-H106 IonicContact OE1-NE2 2.59Å; E104-H106 PolarHBondContact OE1-NE2 2.96Å; E104-P113 HydrophobicContact CG-CB 3.78Å; E104-P113 HydrophobicContact CG-CG 4.22Å
105I92.7Very high91.2Very high0 Ų049 Ų490%027%0.266CS..EExtended strand (participates in β ladder)trans-100.4120.4-171.8-49.3-175.9000109.1V41 F43 I48 V51 P113 F114V41-I105 HydrophobicContact CG1-CD1 3.62Å; F43-I105 HydrophobicContact CB-CD1 4.02Å; F43-I105 HydrophobicContact CD1-CG2 4.32Å; F43-I105 HydrophobicContact CD2-CD1 3.95Å; F43-I105 HydrophobicContact CD2-CG2 4.1Å; F43-I105 HydrophobicContact CE1-CG2 4.41Å; F43-I105 HydrophobicContact CE2-CG2 4.28Å; F43-I105 HydrophobicContact CG-CD1 4.16Å; F43-I105 HydrophobicContact CG-CG2 4.16Å; F43-I105 HydrophobicContact CZ-CG2 4.43Å; I48-I105 HydrophobicContact CB-CG2 4.46Å; I48-I105 HydrophobicContact CD1-CG2 4.13Å; I48-I105 HydrophobicContact CG1-CG2 3.95Å; I48-I105 HydrophobicContact CG2-CG2 3.8Å; V51-I105 HydrophobicContact CG2-CB 4.45Å; V51-I105 HydrophobicContact CG2-CG1 4.16Å; V51-I105 HydrophobicContact CG2-CG2 4.2Å; I105-P113 CarbonylContact O-C 3.55Å; I105-P113 VanDerWaalsContact O-CA 3.31Å; I105-P113 WeakPolarHBondContact O-CA 3.31Å; I105-P113 WeakPolarHBondContact O-CB 3.41Å; I105-F114 HydrophobicContact CB-CB 4.36Å; I105-F114 HydrophobicContact CD1-CD1 3.89Å; I105-F114 HydrophobicContact CG1-CD1 4.41Å; I105-F114 PolarHBondContact N-O 3.31Å; I105-F114 PolarHBondContact O-N 3.03Å
106H91.8Very high91.3Very high67 Ų6745.5 Ų45.531%0.3125%0.25SS..EExtended strand (participates in β ladder)trans-106.2129.2175-68-105.6000109.4D49 T50 E104D49-H106 PolarHBondContact N-O 2.76Å; T50-H106 PolarHBondContact N-O 2.96Å; T50-H106 PolarHBondContact O-N 2.85Å; E104-H106 IonicContact OE1-CD2 3.92Å; E104-H106 IonicContact OE1-CE1 2.8Å; E104-H106 IonicContact OE1-NE2 2.59Å; E104-H106 PolarHBondContact OE1-NE2 2.96Å
107S89.5Confident91.5Very high11 Ų1142.7 Ų42.78%0.07723%0.233CC..  trans-141.7142.4172.4-179.90000109.5Q47 D49 S109 L110Q47-S107 PolarHBondContact O-OG 3.27Å; Q47-S107 VanDerWaalsContact O-OG 3.09Å; D49-S107 WeakPolarHBondContact OD2-CA 3.26Å; S107-S109 PolarHBondContact O-N 2.87Å; S107-S109 PolarHBondContact OG-N 2.03Å; S107-S109 PolarHBondContact OG-OG 2.97Å; S107-L110 PolarHBondContact O-N 3.1Å
108T87.6Confident91.6Very high118 Ų11842.6 Ų42.672%0.72423%0.233SC*.THydrogen-bonded Turntrans-59.5-16.3171.636.40000114.6D49D49-T108 WeakPolarHBondContact OD2-CB 3.39Å; D49-T108 WeakPolarHBondContact OD2-CG2 3.23Å; D49-T108 PolarHBondContact OD2-N 2.95Å; D49-T108 PolarHBondContact OD2-OG1 3.48Å
109S84.1Confident91.7Very high68 Ų6841.8 Ų41.848%0.47623%0.226SC..THydrogen-bonded Turntrans-81.6-16.4170.343.20000114.3E45 S107E45-S109 WeakPolarHBondContact OE2-CB 3.35Å; E45-S109 PolarHBondContact OE2-OG 3.48Å; S107-S109 PolarHBondContact O-N 2.87Å; S107-S109 PolarHBondContact OG-N 2.03Å; S107-S109 PolarHBondContact OG-OG 2.97Å
110L81.3Confident91.8Very high49 Ų4940.9 Ų40.926%0.25722%0.217SC..  trans-96.1144.8179.7-63.7179.6000112.5F43 E45 S107 S112 F114F43-L110 HydrophobicContact CE2-CD1 3.84Å; F43-L110 HydrophobicContact CE2-CD2 4.41Å; F43-L110 HydrophobicContact CE2-CG 4.46Å; F43-L110 HydrophobicContact CZ-CD1 3.64Å; F43-L110 HydrophobicContact CZ-CD2 4.08Å; F43-L110 HydrophobicContact CZ-CG 3.92Å; E45-L110 WeakPolarHBondContact OE2-CD2 3.41Å; S107-L110 PolarHBondContact O-N 3.1Å; L110-S112 WeakPolarHBondContact CB-O 3.31Å; L110-S112 WeakPolarHBondContact CD1-O 3.44Å; L110-F114 HydrophobicContact CD1-CB 3.83Å
111Q84.2Confident91.7Very high205 Ų20542.9 Ų42.996%0.95822%0.219SC*.SBendtrans-85.2-20.3170-165.1172.728.800113.1
112S85.6Confident91.6Very high22 Ų2243.1 Ų43.115%0.15422%0.221CC..SBendtrans-143.8146.6176.459.50000109.5T20 L110 F114T20-S112 PolarHBondContact O-OG 3.13Å; L110-S112 WeakPolarHBondContact CB-O 3.31Å; L110-S112 WeakPolarHBondContact CD1-O 3.44Å; S112-F114 PolarHBondContact O-N 3.34Å
113P89.9Confident91.5Very high35 Ų3541.1 Ų41.123%0.22721%0.213CC..  trans-65.8136.5-176.626.3-34.2000111.8E104 I105E104-P113 HydrophobicContact CG-CB 3.78Å; E104-P113 HydrophobicContact CG-CG 4.22Å; I105-P113 CarbonylContact O-C 3.55Å; I105-P113 VanDerWaalsContact O-CA 3.31Å; I105-P113 WeakPolarHBondContact O-CA 3.31Å; I105-P113 WeakPolarHBondContact O-CB 3.41Å
114F90.9Very high91.3Very high30 Ų3043.8 Ų43.813%0.13223%0.226CC..EExtended strand (participates in β ladder)trans-79.7134.2175.6179.4-89.6000110T22 F43 I105 L110 S112 Q116T22-F114 HydrophobicContact CG2-CD2 3.75Å; T22-F114 HydrophobicContact CG2-CE2 3.94Å; T22-F114 CarbonylContact O-C 3.57Å; T22-F114 VanDerWaalsContact O-CA 3.32Å; T22-F114 WeakPolarHBondContact O-CA 3.25Å; T22-F114 VanDerWaalsContact O-CD2 3.25Å; T22-F114 WeakPolarHBondContact O-CD2 3.49Å; F43-F114 HydrophobicContact CD2-CB 4.19Å; F43-F114 HydrophobicContact CD2-CD1 4.01Å; F43-F114 HydrophobicContact CD2-CG 4.1Å; F43-F114 HydrophobicContact CE2-CB 3.71Å; F43-F114 HydrophobicContact CE2-CD1 4.37Å; F43-F114 HydrophobicContact CE2-CG 4.01Å; I105-F114 HydrophobicContact CB-CB 4.36Å; I105-F114 HydrophobicContact CD1-CD1 3.89Å; I105-F114 HydrophobicContact CG1-CD1 4.41Å; I105-F114 PolarHBondContact N-O 3.31Å; I105-F114 PolarHBondContact O-N 3.03Å; L110-F114 HydrophobicContact CD1-CB 3.83Å; S112-F114 PolarHBondContact O-N 3.34Å; F114-Q116 HydrophobicContact CE1-CB 4.17Å
115T92.2Very high91.1Very high5 Ų546.8 Ų46.83%0.03125%0.247CC..EExtended strand (participates in β ladder)trans-107132.7-179.5-630000110.6T22 S23 G24 R102 E117T22-T115 PolarHBondContact O-N 3.02Å; S23-T115 CarbonylContact C-O 3.58Å; S23-T115 WeakPolarHBondContact CA-O 3.43Å; G24-T115 PolarHBondContact N-O 2.88Å; R102-T115 HydrophobicContact CG-CG2 3.9Å; R102-T115 VanDerWaalsContact NE-CG2 3.27Å; R102-T115 PolarHBondContact NH2-OG1 3.02Å; T115-E117 HydrophobicContact CG2-CG 3.68Å
116Q93.2Very high91.1Very high4 Ų447.8 Ų47.82%0.01925%0.252CS..EExtended strand (participates in β ladder)trans-124.5121.7168-172-177.9-26.200109.6T40 A103 F114 Y118T40-Q116 PolarHBondContact O-NE2 3.04Å; A103-Q116 HydrophobicContact CB-CB 4.5Å; A103-Q116 PolarHBondContact N-O 2.71Å; A103-Q116 PolarHBondContact O-N 3.32Å; F114-Q116 HydrophobicContact CE1-CB 4.17Å; Q116-Y118 HydrophobicContact CG-CE2 4.19Å; Q116-Y118 PolarHBondContact NE2-OH 2.8Å
117E95.3Very high91.1Very high62 Ų6246.8 Ų46.829%0.2925%0.253SS..EExtended strand (participates in β ladder)trans-111.8149.9-176-54.8-162.3150.700112.2L26 K27 Y101 R102 T115L26-E117 HydrophobicContact CD1-CB 3.56Å; K27-E117 PolarHBondContact N-O 3.35Å; Y101-E117 CarbonylContact O-C 3.52Å; Y101-E117 WeakPolarHBondContact O-CA 3.16Å; R102-E117 HydrophobicContact CB-CG 4.49Å; R102-E117 VanDerWaalsContact CD-OE1 3.31Å; R102-E117 WeakPolarHBondContact CD-OE1 3.43Å; R102-E117 HydrophobicContact CG-CG 4.17Å; R102-E117 IonicContact NE-OE1 3.88Å; T115-E117 HydrophobicContact CG2-CG 3.68Å
118Y96.8Very high91.3Very high3 Ų349.3 Ų49.31%0.01227%0.274CS..EExtended strand (participates in β ladder)trans-137.1148.5176.8-46-109.3000110.1K27 V29 F39 T40 W53 V100 Y101 Q116K27-Y118 HydrophobicContact CB-CD1 3.74Å; K27-Y118 HydrophobicContact CB-CE1 4.38Å; K27-Y118 HydrophobicContact CB-CG 4.4Å; K27-Y118 HydrophobicContact CD-CD1 4.27Å; K27-Y118 HydrophobicContact CD-CE1 4.06Å; K27-Y118 CarbonylContact O-C 3.53Å; K27-Y118 WeakPolarHBondContact O-CA 3.45Å; K27-Y118 WeakPolarHBondContact O-CB 3.28Å; V29-Y118 HydrophobicContact CG2-CD1 3.77Å; V29-Y118 HydrophobicContact CG2-CG 4.4Å; F39-Y118 VanDerWaalsContact C-OH 3.25Å; F39-Y118 HydrophobicContact CB-CD1 4.47Å; F39-Y118 HydrophobicContact CB-CD2 4.38Å; F39-Y118 HydrophobicContact CB-CE1 4.03Å; F39-Y118 HydrophobicContact CB-CE2 3.97Å; F39-Y118 AromaticContact CD1-CD1 3.85Å; F39-Y118 HydrophobicContact CD1-CD1 3.85Å; F39-Y118 HydrophobicContact CD1-CD2 4.05Å; F39-Y118 HydrophobicContact CD1-CE1 4.26Å; F39-Y118 HydrophobicContact CD1-CE2 4.47Å; F39-Y118 AromaticContact CD1-CG 3.72Å; F39-Y118 HydrophobicContact CD1-CG 3.72Å; F39-Y118 HydrophobicContact CE1-CG 4.41Å; T40-Y118 PolarHBondContact N-OH 3.3Å; T40-Y118 VanDerWaalsContact N-OH 3.16Å; T40-Y118 PolarHBondContact O-OH 3.48Å; W53-Y118 AromaticContact CH2-CE2 3.67Å; W53-Y118 HydrophobicContact CH2-CE2 3.67Å; W53-Y118 HydrophobicContact CZ3-CD2 4.24Å; W53-Y118 AromaticContact CZ3-CE2 3.72Å; W53-Y118 HydrophobicContact CZ3-CE2 3.72Å; V100-Y118 CarbonylContact C-O 3.57Å; V100-Y118 WeakPolarHBondContact CA-O 3.46Å; Y101-Y118 PolarHBondContact N-O 2.76Å; Y101-Y118 WeakPolarHBondContact O-CD2 3.35Å; Y101-Y118 PolarHBondContact O-N 2.96Å; Q116-Y118 HydrophobicContact CG-CE2 4.19Å; Q116-Y118 PolarHBondContact NE2-OH 2.8Å
119V97Very high91.7Very high22 Ų2244 Ų4413%0.13324%0.241CC..EExtended strand (participates in β ladder)trans-110.5119.1164.6-167.50000108.3L26 K27 V29 Y121L26-V119 HydrophobicContact CD1-CG2 3.84Å; L26-V119 HydrophobicContact CD2-CG2 3.89Å; L26-V119 HydrophobicContact CG-CG2 4.05Å; K27-V119 PolarHBondContact O-N 3.31Å; V29-V119 PolarHBondContact N-O 2.94Å; V119-Y121 HydrophobicContact CB-CE2 3.98Å; V119-Y121 HydrophobicContact CG1-CD2 4.31Å; V119-Y121 HydrophobicContact CG1-CE1 4.19Å; V119-Y121 HydrophobicContact CG1-CE2 3.64Å
120L97Very high92.1Very high0 Ų046 Ų460%024%0.242CC..EExtended strand (participates in β ladder)trans-90.4128.9171.9178.559.4000110V29 V37 F39 L90 L93 S98 G99 Y101 V122V29-L120 HydrophobicContact CB-CD1 4.28Å; V29-L120 HydrophobicContact CG1-CD1 3.99Å; V29-L120 WeakPolarHBondContact O-CA 3.4Å; V29-L120 WeakPolarHBondContact O-CD1 3.5Å; V37-L120 HydrophobicContact CG1-CD1 4.15Å; V37-L120 HydrophobicContact CG2-CD1 4.01Å; V37-L120 HydrophobicContact CG2-CD2 4.09Å; F39-L120 HydrophobicContact CE1-CB 4.34Å; F39-L120 HydrophobicContact CZ-CB 4.25Å; F39-L120 HydrophobicContact CZ-CD2 4.09Å; L90-L120 HydrophobicContact CD2-CD2 4.29Å; L93-L120 HydrophobicContact CD2-CD2 4.04Å; S98-L120 CarbonylContact C-O 3.46Å; S98-L120 WeakPolarHBondContact CA-O 3.49Å; S98-L120 VanDerWaalsContact CB-O 3.29Å; S98-L120 WeakPolarHBondContact CB-O 3.48Å; G99-L120 PolarHBondContact N-O 2.75Å; G99-L120 PolarHBondContact O-N 2.02Å; Y101-L120 HydrophobicContact CD2-CB 3.92Å; Y101-L120 HydrophobicContact CE2-CB 3.69Å; Y101-L120 HydrophobicContact CE2-CD2 3.91Å; Y101-L120 HydrophobicContact CE2-CG 4.44Å; L120-V122 HydrophobicContact CD1-CG2 4.33Å; L120-V122 HydrophobicContact CD2-CG2 3.86Å; L120-V122 HydrophobicContact CG-CG2 3.87Å
121Y95.4Very high92.7Very high95 Ų9545.5 Ų45.537%0.37324%0.24SC..EExtended strand (participates in β ladder)trans-112.2122.4165.5-59.5-83.8000109.4E28 V29 G31 V119 Y123E28-Y121 HydrophobicContact CG-CE2 4.3Å; V29-Y121 PolarHBondContact O-N 3.29Å; G31-Y121 PolarHBondContact N-O 2.99Å; V119-Y121 HydrophobicContact CB-CE2 3.98Å; V119-Y121 HydrophobicContact CG1-CD2 4.31Å; V119-Y121 HydrophobicContact CG1-CE1 4.19Å; V119-Y121 HydrophobicContact CG1-CE2 3.64Å; Y121-Y123 VanDerWaalsContact CB-CE2 3.48Å; Y121-Y123 HydrophobicContact CG-CE2 4.47Å
122V94.7Very high93Very high6 Ų639.1 Ų39.14%0.03622%0.216CC..EExtended strand (participates in β ladder)trans-104.6112.5177.7-175.50000110.1G31 L33 L93 D97 S98 L120G31-V122 WeakPolarHBondContact O-CA 3.41Å; L33-V122 HydrophobicContact CD1-CG1 4.21Å; L93-V122 HydrophobicContact CB-CG1 3.89Å; L93-V122 HydrophobicContact CB-CG2 4.19Å; L93-V122 HydrophobicContact CD1-CG2 4.35Å; D97-V122 HydrophobicContact CB-CG2 4.31Å; S98-V122 WeakPolarHBondContact OG-CB 3.46Å; S98-V122 PolarHBondContact OG-N 2.88Å; L120-V122 HydrophobicContact CD1-CG2 4.33Å; L120-V122 HydrophobicContact CD2-CG2 3.86Å; L120-V122 HydrophobicContact CG-CG2 3.87Å
123Y92.8Very high93.1Very high21 Ų2140.8 Ų40.88%0.08223%0.225CC..EExtended strand (participates in β ladder)trans-104.9154.8-179.2-63.7-83.3000112.2V30 G31 A32 L33 Y121 D156 N157 P198 I199V30-Y123 HydrophobicContact CG1-CD2 3.86Å; V30-Y123 HydrophobicContact CG1-CE2 4.05Å; G31-Y123 PolarHBondContact O-N 2.91Å; A32-Y123 CarbonylContact C-O 3.57Å; A32-Y123 WeakPolarHBondContact CA-O 3.4Å; L33-Y123 PolarHBondContact N-O 2.84Å; Y121-Y123 VanDerWaalsContact CB-CE2 3.48Å; Y121-Y123 HydrophobicContact CG-CE2 4.47Å; Y123-D156 HydrophobicContact CD1-CB 3.95Å; Y123-D156 WeakPolarHBondContact CD1-O 3.23Å; Y123-D156 HydrophobicContact CE1-CB 3.86Å; Y123-D156 VanDerWaalsContact CE1-O 3.28Å; Y123-D156 WeakPolarHBondContact CE1-O 3.34Å; Y123-N157 HydrophobicContact CE1-CB 3.77Å; Y123-N157 PolarHBondContact OH-ND2 3.07Å; Y123-P198 HydrophobicContact CD2-CB 4.25Å; Y123-P198 HydrophobicContact CD2-CG 4.36Å; Y123-P198 HydrophobicContact CE1-CG 4.37Å; Y123-P198 HydrophobicContact CE2-CB 3.92Å; Y123-P198 HydrophobicContact CE2-CG 3.75Å; Y123-I199 WeakPolarHBondContact O-CD1 3.47Å
124E91.4Very high92.4Very high56 Ų5642.3 Ų42.326%0.26223%0.231SC..PPolyproline II helixtrans-87.8151164.8-82127.9-168.700111.8L33 K95 N197L33-E124 HydrophobicContact CB-CG 4.08Å; L33-E124 HydrophobicContact CD2-CG 3.79Å; L33-E124 HydrophobicContact CG-CG 4.39Å; K95-E124 WeakPolarHBondContact CE-OE1 3.27Å; K95-E124 WeakPolarHBondContact CE-OE2 3.37Å; K95-E124 IonicContact NZ-OE1 2.78Å; K95-E124 IonicContact NZ-OE2 3.6Å; K95-E124 PolarHBondContact NZ-OE2 3.05Å; E124-N197 PolarHBondContact O-ND2 2.71Å
125T90.8Very high91.2Very high103 Ų10350.4 Ų50.463%0.63227%0.27SS*.PPolyproline II helixtrans-71.8127.7173.9-56.70000109S127T125-S127 PolarHBondContact O-N 3.49Å
126L92.2Very high89.8Confident22 Ų2255 Ų5512%0.11529%0.29CS..PPolyproline II helixtrans-65.6133.1-175.5-60.8-178.8000112.6V151 V158 A195 N197 S200L126-V151 HydrophobicContact CB-CG1 4.45Å; L126-V151 HydrophobicContact CD2-CG1 4.49Å; L126-V158 HydrophobicContact CD1-CG1 4.24Å; L126-V158 HydrophobicContact CD1-CG2 4.13Å; L126-V158 HydrophobicContact CD2-CG2 3.54Å; L126-V158 HydrophobicContact CG-CG2 4.48Å; L126-A195 HydrophobicContact CD1-CB 4.04Å; L126-N197 HydrophobicContact CD1-CB 4.11Å; L126-N197 HydrophobicContact CD2-CB 4.38Å; L126-N197 HydrophobicContact CG-CB 4.31Å; L126-S200 PolarHBondContact N-OG 2.81Å
127S91.8Very high88.1Confident46 Ų4659.1 Ų59.132%0.32232%0.318SS..  trans-68.3174.1166.958.70000111.5T125 P129 S202T125-S127 PolarHBondContact O-N 3.49Å; S127-P129 VanDerWaalsContact O-CD 3.31Å; S127-P129 WeakPolarHBondContact O-CD 3.24Å; S127-S202 VanDerWaalsContact O-CB 3.26Å; S127-S202 WeakPolarHBondContact O-CB 3.48Å; S127-S202 PolarHBondContact O-OG 2.8Å
128A93.3Very high86.4Confident64 Ų6458.9 Ų58.953%0.52932%0.323SS..PPolyproline II helixtrans-67.1116.9174.900000109.9K130 S202A128-K130 PolarHBondContact O-N 3.5Å; A128-S202 WeakPolarHBondContact CA-OG 3.33Å
129P94.9Very high84.7Confident5 Ų565.8 Ų65.83%0.03235%0.353CS..PPolyproline II helixtrans-66138.6-179.527.1-35000111S127 S150 V151 A195 S202 S204S127-P129 VanDerWaalsContact O-CD 3.31Å; S127-P129 WeakPolarHBondContact O-CD 3.24Å; P129-S150 CarbonylContact C-O 3.59Å; P129-S150 VanDerWaalsContact CA-O 3.25Å; P129-S150 WeakPolarHBondContact CA-O 3.26Å; P129-V151 HydrophobicContact CB-CG1 4.07Å; P129-A195 HydrophobicContact CB-CB 4.14Å; P129-A195 HydrophobicContact CG-CB 4.02Å; P129-S202 VanDerWaalsContact CD-OG 3.23Å; P129-S202 WeakPolarHBondContact CD-OG 3.25Å; P129-S204 WeakPolarHBondContact O-CA 3.34Å; P129-S204 VanDerWaalsContact O-CB 3.28Å; P129-S204 WeakPolarHBondContact O-CB 3.26Å
130K93.4Very high83Confident112 Ų11273 Ų7349%0.48739%0.391SS..EExtended strand (participates in β ladder)trans-85.1150.6173.7-72.6179.3169.8175.50110.1A128 C149 S150 E152A128-K130 PolarHBondContact O-N 3.5Å; K130-C149 WeakPolarHBondContact O-CA 3.13Å; K130-S150 PolarHBondContact N-O 2.97Å; K130-S150 PolarHBondContact O-N 3.28Å; K130-S150 VanDerWaalsContact O-N 3.08Å; K130-E152 HydrophobicContact CD-CG 4.14Å; K130-E152 VanDerWaalsContact CE-OE1 3.23Å; K130-E152 WeakPolarHBondContact CE-OE1 3.41Å; K130-E152 IonicContact NZ-OE1 2.75Å; K130-E152 PolarHBondContact NZ-OE1 2.9Å
131V93.6Very high81.5Confident37 Ų3776 Ų7622%0.22442%0.422CS..EExtended strand (participates in β ladder)trans-110.9122.7170.6171.70000107.4L147 T148 W162 C193 V207V131-L147 HydrophobicContact CG1-CB 4.16Å; V131-L147 HydrophobicContact CG1-CD1 4.38Å; V131-L147 HydrophobicContact CG1-CD2 4.12Å; V131-L147 HydrophobicContact CG1-CG 4.46Å; V131-T148 WeakPolarHBondContact CA-O 3.42Å; V131-W162 HydrophobicContact CB-CH2 4.25Å; V131-W162 HydrophobicContact CG1-CH2 3.74Å; V131-W162 HydrophobicContact CG2-CH2 3.52Å; V131-W162 HydrophobicContact CG2-CZ2 4.44Å; V131-W162 HydrophobicContact CG2-CZ3 4.01Å; V131-C193 HydrophobicContact CG2-CB 4.33Å; V131-V207 HydrophobicContact CB-CG2 4.28Å; V131-V207 HydrophobicContact CG1-CG2 4.3Å; V131-V207 HydrophobicContact CG2-CG2 4.29Å
132T90.9Very high80.5Confident72 Ų7272.7 Ų72.744%0.44241%0.412SS..EExtended strand (participates in β ladder)trans-109.7160.9168.256.90000109.9L147 T148T132-L147 CarbonylContact O-C 3.47Å; T132-L147 WeakPolarHBondContact O-CA 3.42Å; T132-T148 PolarHBondContact N-O 3.37Å; T132-T148 PolarHBondContact O-N 2.91Å; T132-T148 PolarHBondContact OG1-O 2.89Å
133T86.8Confident79.7Confident57 Ų5773 Ų7335%0.3542%0.415SS..EExtended strand (participates in β ladder)trans-127.6123.9-172.5-54.30000108.7E135 T145 K146 L147 L212T133-E135 PolarHBondContact O-N 2.86Å; T133-T145 HydrophobicContact CG2-CG2 4.04Å; T133-T145 WeakPolarHBondContact CG2-OG1 3.48Å; T133-K146 WeakPolarHBondContact CA-O 3.48Å; T133-L147 HydrophobicContact CG2-CD2 4.04Å; T133-L147 WeakPolarHBondContact OG1-CD2 3.35Å; T133-L212 HydrophobicContact CG2-CD2 4.21Å; T133-L212 WeakPolarHBondContact OG1-CD2 3.39Å
134D77Confident79.3Confident67 Ų6775.4 Ų75.436%0.35843%0.432SS..EExtended strand (participates in β ladder)trans-73.2114.4172.4-70.1-13.5000108.8Q136 T145 K146D134-Q136 PolarHBondContact O-N 3.08Å; D134-T145 PolarHBondContact O-OG1 2.84Å; D134-K146 HydrophobicContact CB-CB 4.17Å; D134-K146 PolarHBondContact N-O 2.69Å; D134-K146 WeakPolarHBondContact OD2-CD 3.36Å
135E65.3Low79Confident200 Ų20073 Ų7394%0.93542%0.421SS*.  trans-62.1110.3177.2-73.3-173-168.700110.9T133T133-E135 PolarHBondContact O-N 2.86Å
136Q62.6Low79Confident100 Ų10072.6 Ų72.647%0.46741%0.411SS..  trans-131.3120.5-176.7-169.485.562.500107.6D134 S138 T144D134-Q136 PolarHBondContact O-N 3.08Å; Q136-S138 PolarHBondContact O-N 2.78Å; Q136-T144 WeakPolarHBondContact CB-O 3.49Å; Q136-T144 VanDerWaalsContact CG-O 3.31Å; Q136-T144 WeakPolarHBondContact CG-O 3.37Å
137P56.5Low79Confident92 Ų9271.6 Ų71.660%0.59741%0.405SS*.  trans-65.4129.8-171.124-33.9000111.6
138S61.1Low79.1Confident57 Ų5771.1 Ų71.140%0.39940%0.401SS..  trans-55.6140.7174.457.80000111.6Q136Q136-S138 PolarHBondContact O-N 2.78Å
139K59.3Low79.1Confident148 Ų14868.2 Ų68.264%0.64338%0.376SS*.BIsolated β-bridgetrans-133.5130178.6-68.8-176.2-179-179.20111G141 S142K139-G141 VanDerWaalsContact C-N 3.32Å; K139-G141 PolarHBondContact O-N 3.4Å; K139-S142 PolarHBondContact N-O 2.81Å; K139-S142 PolarHBondContact O-N 2.95Å
140N61.7Low79Confident174 Ų17470.2 Ų70.293%0.9339%0.39SS*.THydrogen-bonded Turntrans53.342.1171.3-54.6-7.1000114.2S142N140-S142 PolarHBondContact O-N 2.95Å
141G65.4Low78.9Confident63 Ų6365.5 Ų65.565%0.64937%0.371SS*.THydrogen-bonded Turntrans73.71.6-179.300000115.4K139K139-G141 VanDerWaalsContact C-N 3.32Å; K139-G141 PolarHBondContact O-N 3.4Å
142S74.6Confident78.2Confident24 Ų2470 Ų7017%0.16839%0.39CS..EExtended strand (participates in β ladder)trans-104121.4169.6-148.90000109K139 N140 S181 K183K139-S142 PolarHBondContact N-O 2.81Å; K139-S142 PolarHBondContact O-N 2.95Å; N140-S142 PolarHBondContact O-N 2.95Å; S142-S181 PolarHBondContact OG-OG 3.39Å; S142-K183 VanDerWaalsContact OG-CE 3.3Å; S142-K183 WeakPolarHBondContact OG-CE 3.31Å; S142-K183 VanDerWaalsContact OG-CG 3.31Å; S142-K183 WeakPolarHBondContact OG-CG 3.5Å
143C79Confident77.3Confident13 Ų1372.9 Ų72.99%0.08840%0.398CS..EExtended strand (participates in β ladder)trans-84.3134.7165.1172.30000108.1S181 W182 C213C143-S181 CarbonylContact O-C 3.49Å; C143-S181 VanDerWaalsContact O-CA 3.24Å; C143-S181 WeakPolarHBondContact O-CA 3.39Å; C143-S181 PolarHBondContact O-OG 3.03Å; C143-S181 VanDerWaalsContact O-OG 3.13Å; C143-W182 PolarHBondContact N-O 3.47Å; C143-W182 PolarHBondContact O-N 3.29Å; C143-C213 HydrophobicContact CB-CB 3.48Å; C143-C213 VanDerWaalsContact CB-CB 3.48Å; C143-C213 WeakPolarHBondContact CB-SG 3.45Å; C143-C213 WeakPolarHBondContact SG-CB 3.41Å; C143-C213 CovalentContact SG-SG 2.03Å; C143-C213 PolarHBondContact SG-SG 2.8Å
144T84.7Confident76.1Confident71 Ų7179.3 Ų79.344%0.43642%0.424SS..EExtended strand (participates in β ladder)trans-142.2115.9175-60.80000107.8Q136 I180 S181Q136-T144 WeakPolarHBondContact CB-O 3.49Å; Q136-T144 VanDerWaalsContact CG-O 3.31Å; Q136-T144 WeakPolarHBondContact CG-O 3.37Å; T144-I180 VanDerWaalsContact CA-O 3.32Å; T144-I180 WeakPolarHBondContact CA-O 3.37Å; T144-I180 WeakPolarHBondContact CG2-O 3.37Å; T144-S181 PolarHBondContact OG1-OG 3.32Å
145T84.6Confident75.5Confident7 Ų777.5 Ų77.54%0.04342%0.421CS..EExtended strand (participates in β ladder)trans-139.7168.2-178.4177.30000109.5T133 D134 I180T133-T145 HydrophobicContact CG2-CG2 4.04Å; T133-T145 WeakPolarHBondContact CG2-OG1 3.48Å; D134-T145 PolarHBondContact O-OG1 2.84Å; T145-I180 HydrophobicContact CG2-CD1 3.76Å; T145-I180 HydrophobicContact CG2-CG1 3.61Å; T145-I180 PolarHBondContact N-O 2.94Å; T145-I180 VanDerWaalsContact N-O 3.1Å; T145-I180 PolarHBondContact O-N 3.46Å; T145-I180 VanDerWaalsContact O-O 3.09Å
146K89.6Confident75.7Confident94 Ų9471.9 Ų71.941%0.40940%0.397SS..EExtended strand (participates in β ladder)trans-113.9132.2175.1-58.7171.7-171.6165.40108.4T133 D134 I177T133-K146 WeakPolarHBondContact CA-O 3.48Å; D134-K146 HydrophobicContact CB-CB 4.17Å; D134-K146 PolarHBondContact N-O 2.69Å; D134-K146 WeakPolarHBondContact OD2-CD 3.36Å; K146-I177 HydrophobicContact CB-CG2 4.21Å
147L92Very high76.7Confident0 Ų072 Ų720%040%0.401CS..EExtended strand (participates in β ladder)trans-95.9127.9169.5-56.7-178.8000108.9V131 T132 T133 W162 I177 L178 I180 L191 L212V131-L147 HydrophobicContact CG1-CB 4.16Å; V131-L147 HydrophobicContact CG1-CD1 4.38Å; V131-L147 HydrophobicContact CG1-CD2 4.12Å; V131-L147 HydrophobicContact CG1-CG 4.46Å; T132-L147 CarbonylContact O-C 3.47Å; T132-L147 WeakPolarHBondContact O-CA 3.42Å; T133-L147 HydrophobicContact CG2-CD2 4.04Å; T133-L147 WeakPolarHBondContact OG1-CD2 3.35Å; L147-W162 HydrophobicContact CB-CH2 3.53Å; L147-W162 HydrophobicContact CB-CZ2 3.69Å; L147-W162 HydrophobicContact CB-CZ3 4.39Å; L147-W162 HydrophobicContact CD1-CH2 3.93Å; L147-W162 HydrophobicContact CD1-CZ3 4.03Å; L147-W162 HydrophobicContact CG-CH2 4.38Å; L147-I177 CarbonylContact O-C 3.55Å; L147-I177 VanDerWaalsContact O-CA 3.3Å; L147-I177 WeakPolarHBondContact O-CA 3.28Å; L147-L178 HydrophobicContact CB-CB 4.45Å; L147-L178 PolarHBondContact N-O 3.16Å; L147-L178 PolarHBondContact O-N 3.22Å; L147-I180 HydrophobicContact CD1-CG2 4.33Å; L147-L191 HydrophobicContact CD1-CD1 3.54Å; L147-L212 HydrophobicContact CD1-CD1 3.75Å; L147-L212 HydrophobicContact CD2-CD1 3.75Å; L147-L212 HydrophobicContact CD2-CD2 3.74Å; L147-L212 HydrophobicContact CD2-CG 4.37Å; L147-L212 HydrophobicContact CG-CD1 4.27Å
148T94.1Very high78.4Confident37 Ų3769 Ų6923%0.22738%0.381CS..EExtended strand (participates in β ladder)trans-108.1130.5173.5-65.60000108.3V131 T132V131-T148 WeakPolarHBondContact CA-O 3.42Å; T132-T148 PolarHBondContact N-O 3.37Å; T132-T148 PolarHBondContact O-N 2.91Å; T132-T148 PolarHBondContact OG1-O 2.89Å
149C93.9Very high80Confident3 Ų370 Ų702%0.0239%0.385CS..EExtended strand (participates in β ladder)trans-105.9132.8177.2-176.80000111K130 Y160 W162 A176 C193K130-C149 WeakPolarHBondContact O-CA 3.13Å; C149-Y160 HydrophobicContact CB-CD1 4.17Å; C149-W162 HydrophobicContact CB-CH2 4.45Å; C149-W162 HydrophobicContact CB-CZ2 3.64Å; C149-A176 WeakPolarHBondContact CB-O 3.08Å; C149-A176 PolarHBondContact N-O 2.87Å; C149-C193 HydrophobicContact CB-CB 3.74Å; C149-C193 WeakPolarHBondContact CB-SG 3.46Å; C149-C193 WeakPolarHBondContact SG-CB 3.25Å; C149-C193 CovalentContact SG-SG 2.02Å; C149-C193 PolarHBondContact SG-SG 2.95Å
150S92.7Very high81.7Confident46 Ų4665.3 Ų65.332%0.32236%0.363SS..EExtended strand (participates in β ladder)trans-145.6149.3176.357.10000112.1P129 K130P129-S150 CarbonylContact C-O 3.59Å; P129-S150 VanDerWaalsContact CA-O 3.25Å; P129-S150 WeakPolarHBondContact CA-O 3.26Å; K130-S150 PolarHBondContact N-O 2.97Å; K130-S150 PolarHBondContact O-N 3.28Å; K130-S150 VanDerWaalsContact O-N 3.08Å
151V92.3Very high83.4Confident14 Ų1457.1 Ų57.19%0.08532%0.32CS..  trans-84.3157.5157.3-74.10000109.9L126 P129 E153 V158 Y160 A195L126-V151 HydrophobicContact CB-CG1 4.45Å; L126-V151 HydrophobicContact CD2-CG1 4.49Å; P129-V151 HydrophobicContact CB-CG1 4.07Å; V151-E153 WeakPolarHBondContact CG2-O 3.39Å; V151-V158 HydrophobicContact CG2-CG2 4.39Å; V151-Y160 PolarHBondContact N-OH 3.27Å; V151-A195 HydrophobicContact CG1-CB 4.25Å
152E78.4Confident84.8Confident131 Ų13154.1 Ų54.161%0.61229%0.289SS*.SBendtrans-72.3-32.7-173.1-62.2-170.7112.800114.1K130K130-E152 HydrophobicContact CD-CG 4.14Å; K130-E152 VanDerWaalsContact CE-OE1 3.23Å; K130-E152 WeakPolarHBondContact CE-OE1 3.41Å; K130-E152 IonicContact NZ-OE1 2.75Å; K130-E152 PolarHBondContact NZ-OE1 2.9Å
153E71.3Confident85.8Confident132 Ų13256.1 Ų56.162%0.61730%0.295SS*.SBendtrans-97145.9174.1-62.4176.7142.100108.6V151 G155V151-E153 WeakPolarHBondContact CG2-O 3.39Å; E153-G155 VanDerWaalsContact C-N 3.25Å; E153-G155 PolarHBondContact O-N 3.31Å
154E62.4Low86.4Confident193 Ų19355.7 Ų55.790%0.90229%0.292SS*.  trans-67.485.8174.3-70.9-170150.600110.1D156E154-D156 PolarHBondContact O-N 2.59Å
155G63.1Low86.7Confident28 Ų2854.6 Ų54.629%0.28928%0.283SS..  trans-69.6118.2-177.600000111.9E153 N157 V158E153-G155 VanDerWaalsContact C-N 3.25Å; E153-G155 PolarHBondContact O-N 3.31Å; G155-N157 PolarHBondContact O-N 2.87Å; G155-V158 WeakPolarHBondContact O-CG2 3.46Å; G155-V158 PolarHBondContact O-N 3.45Å
156D69.4Low86.8Confident83 Ų8355.7 Ų55.744%0.44430%0.295SS..THydrogen-bonded Turntrans-53125.6171.1-60-76.6000110.5K95 Y123 E154 V158K95-D156 IonicContact NZ-OD2 2.74Å; K95-D156 PolarHBondContact NZ-OD2 3.28Å; Y123-D156 HydrophobicContact CD1-CB 3.95Å; Y123-D156 WeakPolarHBondContact CD1-O 3.23Å; Y123-D156 HydrophobicContact CE1-CB 3.86Å; Y123-D156 VanDerWaalsContact CE1-O 3.28Å; Y123-D156 WeakPolarHBondContact CE1-O 3.34Å; E154-D156 PolarHBondContact O-N 2.59Å; D156-V158 PolarHBondContact O-N 2.75Å
157N85.4Confident85.9Confident103 Ų10358.7 Ų58.755%0.55131%0.311SS*.THydrogen-bonded Turntrans5445.2176.3-161.813.8000115Y123 G155Y123-N157 HydrophobicContact CE1-CB 3.77Å; Y123-N157 PolarHBondContact OH-ND2 3.07Å; G155-N157 PolarHBondContact O-N 2.87Å
158V91.2Very high84.9Confident27 Ų2761.5 Ų61.516%0.16434%0.34CS..  trans-84.3126.1172.5178.20000111.7L126 V151 G155 D156 Y160 A195 N197L126-V158 HydrophobicContact CD1-CG1 4.24Å; L126-V158 HydrophobicContact CD1-CG2 4.13Å; L126-V158 HydrophobicContact CD2-CG2 3.54Å; L126-V158 HydrophobicContact CG-CG2 4.48Å; V151-V158 HydrophobicContact CG2-CG2 4.39Å; G155-V158 WeakPolarHBondContact O-CG2 3.46Å; G155-V158 PolarHBondContact O-N 3.45Å; D156-V158 PolarHBondContact O-N 2.75Å; V158-Y160 HydrophobicContact CB-CE2 4.23Å; V158-Y160 HydrophobicContact CG1-CD1 4.37Å; V158-Y160 HydrophobicContact CG1-CD2 4.08Å; V158-Y160 HydrophobicContact CG1-CE1 3.93Å; V158-Y160 HydrophobicContact CG1-CE2 3.61Å; V158-Y160 HydrophobicContact CG1-CG 4.45Å; V158-A195 HydrophobicContact CG1-CB 4.12Å; V158-N197 HydrophobicContact CG2-CB 4.31Å
159T94.6Very high83.8Confident79 Ų7964 Ų6449%0.48537%0.365SS..EExtended strand (participates in β ladder)trans-100.5143.3168.157.90000110.2A195 R196T159-A195 CarbonylContact O-C 3.58Å; T159-A195 WeakPolarHBondContact O-CA 3.31Å; T159-R196 PolarHBondContact N-O 3Å; T159-R196 PolarHBondContact O-N 3.37Å; T159-R196 PolarHBondContact OG1-O 2.96Å
160Y95.5Very high83.4Confident49 Ų4969.5 Ų69.519%0.19239%0.39CS..EExtended strand (participates in β ladder)trans-121.1148.8-178.9-64.1-87.4000110.6C149 V151 V158 G175 A176 A195C149-Y160 HydrophobicContact CB-CD1 4.17Å; V151-Y160 PolarHBondContact N-OH 3.27Å; V158-Y160 HydrophobicContact CB-CE2 4.23Å; V158-Y160 HydrophobicContact CG1-CD1 4.37Å; V158-Y160 HydrophobicContact CG1-CD2 4.08Å; V158-Y160 HydrophobicContact CG1-CE1 3.93Å; V158-Y160 HydrophobicContact CG1-CE2 3.61Å; V158-Y160 HydrophobicContact CG1-CG 4.45Å; Y160-G175 CarbonylContact C-O 3.53Å; Y160-G175 WeakPolarHBondContact O-CA 3.39Å; Y160-G175 PolarHBondContact O-N 2.82Å; Y160-A176 HydrophobicContact CD2-CB 3.85Å; Y160-A176 HydrophobicContact CE2-CB 4.44Å; Y160-A176 HydrophobicContact CG-CB 3.95Å; Y160-A195 HydrophobicContact CD1-CB 3.92Å; Y160-A195 HydrophobicContact CE1-CB 3.91Å
161S96.3Very high83.1Confident2 Ų271.1 Ų71.11%0.01439%0.392CS..EExtended strand (participates in β ladder)trans-156154175.153.90000110H173 M194 R196S161-H173 CarbonylContact C-O 3.58Å; S161-H173 VanDerWaalsContact CA-O 3.28Å; S161-H173 WeakPolarHBondContact CA-O 3.4Å; S161-M194 PolarHBondContact N-O 2.89Å; S161-M194 PolarHBondContact O-N 2.82Å; S161-M194 PolarHBondContact OG-O 2.87Å; S161-R196 PolarHBondContact OG-NH1 3.17Å
162W96.5Very high83.2Confident0 Ų075.7 Ų75.70%042%0.416CS..EExtended strand (participates in β ladder)trans-119.9135.3-176.8-73.790.2000111V131 L147 C149 L172 H173 A176 L178 L191 C193V131-W162 HydrophobicContact CB-CH2 4.25Å; V131-W162 HydrophobicContact CG1-CH2 3.74Å; V131-W162 HydrophobicContact CG2-CH2 3.52Å; V131-W162 HydrophobicContact CG2-CZ2 4.44Å; V131-W162 HydrophobicContact CG2-CZ3 4.01Å; L147-W162 HydrophobicContact CB-CH2 3.53Å; L147-W162 HydrophobicContact CB-CZ2 3.69Å; L147-W162 HydrophobicContact CB-CZ3 4.39Å; L147-W162 HydrophobicContact CD1-CH2 3.93Å; L147-W162 HydrophobicContact CD1-CZ3 4.03Å; L147-W162 HydrophobicContact CG-CH2 4.38Å; C149-W162 HydrophobicContact CB-CH2 4.45Å; C149-W162 HydrophobicContact CB-CZ2 3.64Å; W162-L172 WeakPolarHBondContact O-CA 3.48Å; W162-H173 HydrophobicContact CB-CB 4.37Å; W162-H173 PolarHBondContact N-O 3.05Å; W162-H173 PolarHBondContact O-N 2.96Å; W162-A176 PolarHBondContact NE1-O 3.23Å; W162-L178 HydrophobicContact CB-CB 4.46Å; W162-L178 HydrophobicContact CB-CD1 4.38Å; W162-L178 HydrophobicContact CB-CD2 4.1Å; W162-L178 HydrophobicContact CD2-CB 3.76Å; W162-L178 HydrophobicContact CD2-CD2 3.9Å; W162-L178 HydrophobicContact CD2-CG 4.42Å; W162-L178 HydrophobicContact CE3-CB 4.41Å; W162-L178 HydrophobicContact CE3-CD2 3.84Å; W162-L178 HydrophobicContact CG-CB 3.79Å; W162-L178 HydrophobicContact CG-CD2 4.06Å; W162-L178 HydrophobicContact CG-CG 4.36Å; W162-L178 HydrophobicContact CZ2-CB 4.24Å; W162-L178 HydrophobicContact CZ3-CD2 4.46Å; W162-L191 HydrophobicContact CZ3-CB 4.34Å; W162-C193 HydrophobicContact CD2-CB 4Å; W162-C193 HydrophobicContact CE3-CB 3.9Å; W162-C193 HydrophobicContact CH2-CB 4.05Å; W162-C193 HydrophobicContact CZ2-CB 4.13Å; W162-C193 HydrophobicContact CZ3-CB 3.92Å
163K94.7Very high83.9Confident67 Ų6773.5 Ų73.529%0.29141%0.405SS..EExtended strand (participates in β ladder)trans-110.8117170.8-176.9-177.8180-1730109I165 E171 I192 M194K163-I165 HydrophobicContact CD-CD1 4.06Å; K163-I165 HydrophobicContact CD-CG1 4.16Å; K163-I165 HydrophobicContact CG-CD1 4.38Å; K163-I165 HydrophobicContact CG-CG1 3.97Å; K163-E171 WeakPolarHBondContact CA-O 3.41Å; K163-I192 PolarHBondContact N-O 2.8Å; K163-I192 PolarHBondContact O-N 3.24Å; K163-M194 HydrophobicContact CB-CE 3.69Å; K163-M194 HydrophobicContact CB-SD 4.43Å
164A92.2Very high85Confident3 Ų373.6 Ų73.63%0.02541%0.41CS..EExtended strand (participates in β ladder)trans-98.8130.2168.800000110.3E171 T190 L191A164-E171 HydrophobicContact CB-CB 4.23Å; A164-E171 PolarHBondContact N-O 3.47Å; A164-E171 PolarHBondContact O-N 2.93Å; A164-E171 VanDerWaalsContact O-N 3.09Å; A164-T190 WeakPolarHBondContact CA-O 3.16Å; A164-L191 HydrophobicContact CB-CD2 3.51Å
165I91.4Very high86.5Confident48 Ų4866 Ų6625%0.24638%0.384CS..EExtended strand (participates in β ladder)trans-119.7114.6-175.8-52.7-179.5000107.8K163 K189 T190 I192K163-I165 HydrophobicContact CD-CD1 4.06Å; K163-I165 HydrophobicContact CD-CG1 4.16Å; K163-I165 HydrophobicContact CG-CD1 4.38Å; K163-I165 HydrophobicContact CG-CG1 3.97Å; I165-K189 WeakPolarHBondContact O-CA 3.47Å; I165-T190 PolarHBondContact N-O 2.99Å; I165-T190 PolarHBondContact O-N 2.81Å; I165-I192 HydrophobicContact CD1-CD1 3.97Å
166G85.4Confident88Confident30 Ų3066.1 Ų66.131%0.30938%0.382SS..SBendtrans-128.9-158.4172.500000110.9G168G166-G168 PolarHBondContact O-N 3.1Å
167Q70.3Confident89.1Confident157 Ų15766.9 Ų66.973%0.73439%0.385SS*.SBendtrans-79.210174.4-65-172-10.100114.3K187Q167-K187 HydrophobicContact CB-CD 4.38Å; Q167-K187 HydrophobicContact CG-CD 4.44Å; Q167-K187 VanDerWaalsContact OE1-CD 3.32Å; Q167-K187 VanDerWaalsContact OE1-CE 3.25Å
168G71.2Confident89.5Confident60 Ų6062.4 Ų62.462%0.61936%0.361SS*.SBendtrans-117.1-157.9179.300000112G166G166-G168 PolarHBondContact O-N 3.1Å
169A72.6Confident89.4Confident90 Ų9065.7 Ų65.774%0.74438%0.383SS*.SBendtrans-61153167.600000111E171A169-E171 PolarHBondContact O-N 2.92Å
170H83.7Confident89.1Confident118 Ų11862.8 Ų62.855%0.54636%0.364SS..PPolyproline II helixtrans-69126.6170.7-59.1134.5000109.7
171E88.3Confident88.5Confident80 Ų8063.6 Ų63.637%0.37438%0.377SS..EExtended strand (participates in β ladder)trans-89.2132.7171.9-58.8154.8169.300107.9K163 A164 A169 K189K163-E171 WeakPolarHBondContact CA-O 3.41Å; A164-E171 HydrophobicContact CB-CB 4.23Å; A164-E171 PolarHBondContact N-O 3.47Å; A164-E171 PolarHBondContact O-N 2.93Å; A164-E171 VanDerWaalsContact O-N 3.09Å; A169-E171 PolarHBondContact O-N 2.92Å; E171-K189 IonicContact OE1-NZ 2.79Å; E171-K189 PolarHBondContact OE1-NZ 2.87Å; E171-K189 IonicContact OE2-NZ 3.99Å; E171-K189 PolarHBondContact OE2-NZ 2.92Å
172L93.1Very high87.8Confident110 Ų11065 Ų6558%0.57638%0.382SS*.EExtended strand (participates in β ladder)trans-115.7132.9175.4-173.776000108.5W162 M194W162-L172 WeakPolarHBondContact O-CA 3.48Å; L172-M194 HydrophobicContact CD1-CE 3.69Å
173H93.6Very high87.1Confident85 Ų8569.9 Ų69.939%0.39440%0.403SS..EExtended strand (participates in β ladder)trans-129.8133.3175.5-57.2-85.1000109.8S161 W162 L178S161-H173 CarbonylContact C-O 3.58Å; S161-H173 VanDerWaalsContact CA-O 3.28Å; S161-H173 WeakPolarHBondContact CA-O 3.4Å; W162-H173 HydrophobicContact CB-CB 4.37Å; W162-H173 PolarHBondContact N-O 3.05Å; W162-H173 PolarHBondContact O-N 2.96Å; H173-L178 HydrophobicContact CB-CD1 4.02Å
174D94.8Very high86.3Confident133 Ų13374 Ų7471%0.71143%0.428SS*.EExtended strand (participates in β ladder)trans-90.8149.5177.7-62.8-49.7000111.7
175G93.8Very high85.4Confident34 Ų3477.5 Ų77.535%0.35146%0.464SS..SBendtrans103.1169.4-177.300000114Y160Y160-G175 CarbonylContact C-O 3.53Å; Y160-G175 WeakPolarHBondContact O-CA 3.39Å; Y160-G175 PolarHBondContact O-N 2.82Å
176A93.8Very high84.9Confident30 Ų3079.2 Ų79.225%0.24847%0.471CS..SBendtrans-78.1-25.7-176.400000113.6C149 Y160 W162C149-A176 WeakPolarHBondContact CB-O 3.08Å; C149-A176 PolarHBondContact N-O 2.87Å; Y160-A176 HydrophobicContact CD2-CB 3.85Å; Y160-A176 HydrophobicContact CE2-CB 4.44Å; Y160-A176 HydrophobicContact CG-CB 3.95Å; W162-A176 PolarHBondContact NE1-O 3.23Å
177I93.9Very high84.7Confident100 Ų10084.5 Ų84.551%0.51349%0.485SS..EExtended strand (participates in β ladder)trans-107.2122.7-171.4-55.8175.2000110.3K146 L147K146-I177 HydrophobicContact CB-CG2 4.21Å; L147-I177 CarbonylContact O-C 3.55Å; L147-I177 VanDerWaalsContact O-CA 3.3Å; L147-I177 WeakPolarHBondContact O-CA 3.28Å
178L92.6Very high85.4Confident9 Ų979.2 Ų79.25%0.04746%0.461CS..EExtended strand (participates in β ladder)trans-110.8108.6172.5-178.568.5000110.2L147 W162 H173 I180 L191L147-L178 HydrophobicContact CB-CB 4.45Å; L147-L178 PolarHBondContact N-O 3.16Å; L147-L178 PolarHBondContact O-N 3.22Å; W162-L178 HydrophobicContact CB-CB 4.46Å; W162-L178 HydrophobicContact CB-CD1 4.38Å; W162-L178 HydrophobicContact CB-CD2 4.1Å; W162-L178 HydrophobicContact CD2-CB 3.76Å; W162-L178 HydrophobicContact CD2-CD2 3.9Å; W162-L178 HydrophobicContact CD2-CG 4.42Å; W162-L178 HydrophobicContact CE3-CB 4.41Å; W162-L178 HydrophobicContact CE3-CD2 3.84Å; W162-L178 HydrophobicContact CG-CB 3.79Å; W162-L178 HydrophobicContact CG-CD2 4.06Å; W162-L178 HydrophobicContact CG-CG 4.36Å; W162-L178 HydrophobicContact CZ2-CB 4.24Å; W162-L178 HydrophobicContact CZ3-CD2 4.46Å; H173-L178 HydrophobicContact CB-CD1 4.02Å; L178-I180 HydrophobicContact CD2-CG2 3.91Å; L178-I180 HydrophobicContact CG-CG2 3.92Å; L178-I180 PolarHBondContact O-N 2.91Å; L178-L191 HydrophobicContact CD2-CD1 4.36Å; L178-L191 HydrophobicContact CD2-CD2 4.19Å
179P89.5Confident86.3Confident95 Ų9580.1 Ų80.162%0.61745%0.447SS*.EExtended strand (participates in β ladder)trans-72.3125.9168.230-31.9000109.5
180I87.4Confident87.2Confident19 Ų1977.7 Ų77.710%0.09742%0.423CS..EExtended strand (participates in β ladder)trans-115.2148.817468161.6000111T144 T145 L147 L178 L191 L212T144-I180 VanDerWaalsContact CA-O 3.32Å; T144-I180 WeakPolarHBondContact CA-O 3.37Å; T144-I180 WeakPolarHBondContact CG2-O 3.37Å; T145-I180 HydrophobicContact CG2-CD1 3.76Å; T145-I180 HydrophobicContact CG2-CG1 3.61Å; T145-I180 PolarHBondContact N-O 2.94Å; T145-I180 VanDerWaalsContact N-O 3.1Å; T145-I180 PolarHBondContact O-N 3.46Å; T145-I180 VanDerWaalsContact O-O 3.09Å; L147-I180 HydrophobicContact CD1-CG2 4.33Å; L178-I180 HydrophobicContact CD2-CG2 3.91Å; L178-I180 HydrophobicContact CG-CG2 3.92Å; L178-I180 PolarHBondContact O-N 2.91Å; I180-L191 HydrophobicContact CD1-CD1 4.36Å; I180-L191 HydrophobicContact CG2-CD1 3.86Å; I180-L212 HydrophobicContact CD1-CB 4.4Å; I180-L212 HydrophobicContact CD1-CD1 3.69Å
181S83.7Confident87.7Confident66 Ų6672.2 Ų72.246%0.46240%0.398SS..EExtended strand (participates in β ladder)trans-133.9136.1162.3-164.10000108.2S142 C143 T144S142-S181 PolarHBondContact OG-OG 3.39Å; C143-S181 CarbonylContact O-C 3.49Å; C143-S181 VanDerWaalsContact O-CA 3.24Å; C143-S181 WeakPolarHBondContact O-CA 3.39Å; C143-S181 PolarHBondContact O-OG 3.03Å; C143-S181 VanDerWaalsContact O-OG 3.13Å; T144-S181 PolarHBondContact OG1-OG 3.32Å
182W82.4Confident88.1Confident30 Ų3070 Ų7011%0.11439%0.389CS..EExtended strand (participates in β ladder)trans-138.4139.1-178.4-176.280.6000109.9C143 L184 E186 A209 R210 C213C143-W182 PolarHBondContact N-O 3.47Å; C143-W182 PolarHBondContact O-N 3.29Å; W182-L184 HydrophobicContact CH2-CD1 3.99Å; W182-L184 HydrophobicContact CZ3-CD1 4.48Å; W182-E186 WeakPolarHBondContact CA-OE2 2.76Å; W182-A209 HydrophobicContact CG-CB 4.45Å; W182-R210 HydrophobicContact CH2-CB 4.32Å; W182-R210 HydrophobicContact CH2-CG 3.88Å; W182-R210 HydrophobicContact CZ2-CB 4.12Å; W182-R210 HydrophobicContact CZ2-CG 4.11Å; W182-R210 HydrophobicContact CZ3-CG 4.41Å; W182-C213 HydrophobicContact CE3-CB 4.17Å
183K81.6Confident88.2Confident103 Ų10364.8 Ų64.845%0.44836%0.361SS..EExtended strand (participates in β ladder)trans-120.4146.2177.3-63169.4-165.8143.70111.1S142 G185 E186S142-K183 VanDerWaalsContact OG-CE 3.3Å; S142-K183 WeakPolarHBondContact OG-CE 3.31Å; S142-K183 VanDerWaalsContact OG-CG 3.31Å; S142-K183 WeakPolarHBondContact OG-CG 3.5Å; K183-G185 PolarHBondContact O-N 2.77Å; K183-G185 VanDerWaalsContact O-N 3.1Å; K183-E186 HydrophobicContact CB-CG 4.06Å; K183-E186 PolarHBondContact N-OE2 2.99Å; K183-E186 IonicContact NZ-OE1 2.63Å; K183-E186 WeakPolarHBondContact O-CB 3.45Å; K183-E186 PolarHBondContact O-N 2.87Å
184L76.4Confident88.3Confident154 Ų15462 Ų6281%0.80635%0.349SS*.THydrogen-bonded Turntrans-58.9116.9175.8-173.563.9000110.4W182W182-L184 HydrophobicContact CH2-CD1 3.99Å; W182-L184 HydrophobicContact CZ3-CD1 4.48Å
185G74.6Confident88.4Confident76 Ų7655.6 Ų55.678%0.78432%0.315SS*.THydrogen-bonded Turntrans104.5-8.3-175.500000114.9K183K183-G185 PolarHBondContact O-N 2.77Å; K183-G185 VanDerWaalsContact O-N 3.1Å
186E79.8Confident88.4Confident84 Ų8458.5 Ų58.539%0.39332%0.315SS..SBendtrans-71152.6168.4-72.417517000111.4W182 K183W182-E186 WeakPolarHBondContact CA-OE2 2.76Å; K183-E186 HydrophobicContact CB-CG 4.06Å; K183-E186 PolarHBondContact N-OE2 2.99Å; K183-E186 IonicContact NZ-OE1 2.63Å; K183-E186 WeakPolarHBondContact O-CB 3.45Å; K183-E186 PolarHBondContact O-N 2.87Å
187K82.1Confident88.4Confident141 Ų14158 Ų5861%0.61331%0.308SS*.PPolyproline II helixtrans-67.9142.6178.7-66.7178.2172.3-165.80110.4Q167Q167-K187 HydrophobicContact CB-CD 4.38Å; Q167-K187 HydrophobicContact CG-CD 4.44Å; Q167-K187 VanDerWaalsContact OE1-CD 3.32Å; Q167-K187 VanDerWaalsContact OE1-CE 3.25Å
188E85.6Confident88.3Confident47 Ų4756.2 Ų56.222%0.2230%0.303CS..PPolyproline II helixtrans-60.2138.7-178.8-160.159.3-123.800112.1L208 A209 R210E188-L208 HydrophobicContact CG-CD2 4.14Å; E188-A209 PolarHBondContact OE1-N 3.46Å; E188-R210 WeakPolarHBondContact OE1-CB 3.3Å; E188-R210 PolarHBondContact OE1-N 2.98Å; E188-R210 WeakPolarHBondContact OE2-CB 2.99Å; E188-R210 IonicContact OE2-CZ 3.18Å; E188-R210 IonicContact OE2-NE 2.84Å; E188-R210 PolarHBondContact OE2-NE 2.95Å; E188-R210 IonicContact OE2-NH2 2.71Å; E188-R210 PolarHBondContact OE2-NH2 2.86Å
189K88.9Confident88.3Confident78 Ų7858.5 Ų58.534%0.33932%0.315SS..  trans-120128.4170.7-72.4-170172.5-169.90109.3I165 E171 L191 A209I165-K189 WeakPolarHBondContact O-CA 3.47Å; E171-K189 IonicContact OE1-NZ 2.79Å; E171-K189 PolarHBondContact OE1-NZ 2.87Å; E171-K189 IonicContact OE2-NZ 3.99Å; E171-K189 PolarHBondContact OE2-NZ 2.92Å; K189-L191 HydrophobicContact CB-CD2 4.34Å; K189-A209 HydrophobicContact CB-CB 4.17Å; K189-A209 WeakPolarHBondContact O-CB 3.35Å; K189-A209 PolarHBondContact O-N 3.04Å
190T92.6Very high88.5Confident39 Ų3954.9 Ų54.924%0.23929%0.292CS..EExtended strand (participates in β ladder)trans-93.2127169.9-57.10000109A164 I165 I192 P206 V207A164-T190 WeakPolarHBondContact CA-O 3.16Å; I165-T190 PolarHBondContact N-O 2.99Å; I165-T190 PolarHBondContact O-N 2.81Å; T190-I192 HydrophobicContact CG2-CG1 4.44Å; T190-P206 HydrophobicContact CG2-CB 3.55Å; T190-V207 CarbonylContact C-O 3.54Å; T190-V207 WeakPolarHBondContact CA-O 3.29Å
191L93.6Very high88.8Confident4 Ų461 Ų612%0.02132%0.319CS..EExtended strand (participates in β ladder)trans-112.2129.8-174.6-52.2176.2000109L147 W162 A164 L178 I180 K189 V207 L212L147-L191 HydrophobicContact CD1-CD1 3.54Å; W162-L191 HydrophobicContact CZ3-CB 4.34Å; A164-L191 HydrophobicContact CB-CD2 3.51Å; L178-L191 HydrophobicContact CD2-CD1 4.36Å; L178-L191 HydrophobicContact CD2-CD2 4.19Å; I180-L191 HydrophobicContact CD1-CD1 4.36Å; I180-L191 HydrophobicContact CG2-CD1 3.86Å; K189-L191 HydrophobicContact CB-CD2 4.34Å; L191-V207 PolarHBondContact N-O 2.92Å; L191-V207 PolarHBondContact O-N 3.08Å; L191-L212 HydrophobicContact CD1-CD1 4.25Å
192I96Very high89.3Confident33 Ų3358.7 Ų58.717%0.16930%0.304CS..EExtended strand (participates in β ladder)trans-131.8120.9179.8-55.1175.3000108K163 I165 T190 P206K163-I192 PolarHBondContact N-O 2.8Å; K163-I192 PolarHBondContact O-N 3.24Å; I165-I192 HydrophobicContact CD1-CD1 3.97Å; T190-I192 HydrophobicContact CG2-CG1 4.44Å; I192-P206 HydrophobicContact CD1-CB 4.47Å; I192-P206 HydrophobicContact CD1-CG 4.45Å; I192-P206 HydrophobicContact CG1-CB 4.13Å; I192-P206 HydrophobicContact CG1-CG 4.48Å
193C96.4Very high90Very high0 Ų059.8 Ų59.80%032%0.316CS..EExtended strand (participates in β ladder)trans-81.3143.7167.21790000110.1V131 C149 W162 S203 S204V131-C193 HydrophobicContact CG2-CB 4.33Å; C149-C193 HydrophobicContact CB-CB 3.74Å; C149-C193 WeakPolarHBondContact CB-SG 3.46Å; C149-C193 WeakPolarHBondContact SG-CB 3.25Å; C149-C193 CovalentContact SG-SG 2.02Å; C149-C193 PolarHBondContact SG-SG 2.95Å; W162-C193 HydrophobicContact CD2-CB 4Å; W162-C193 HydrophobicContact CE3-CB 3.9Å; W162-C193 HydrophobicContact CH2-CB 4.05Å; W162-C193 HydrophobicContact CZ2-CB 4.13Å; W162-C193 HydrophobicContact CZ3-CB 3.92Å; C193-S203 CarbonylContact O-C 3.52Å; C193-S203 WeakPolarHBondContact O-CA 3.42Å; C193-S204 PolarHBondContact N-OG 3.1Å; C193-S204 PolarHBondContact O-N 2.79Å
194M95.9Very high90.7Very high26 Ų2655.4 Ų55.413%0.12830%0.298CS..EExtended strand (participates in β ladder)trans-124.1119.2173-59.4165.5-70.800108.7S161 K163 L172 R196 S202S161-M194 PolarHBondContact N-O 2.89Å; S161-M194 PolarHBondContact O-N 2.82Å; S161-M194 PolarHBondContact OG-O 2.87Å; K163-M194 HydrophobicContact CB-CE 3.69Å; K163-M194 HydrophobicContact CB-SD 4.43Å; L172-M194 HydrophobicContact CD1-CE 3.69Å; M194-R196 PolarHBondContact SD-NH2 2.83Å; M194-S202 WeakPolarHBondContact CA-O 3.33Å
195A95.6Very high91.5Very high0 Ų054.7 Ų54.70%030%0.295CS..EExtended strand (participates in β ladder)trans-102.4139.6173.700000109.7L126 P129 V151 V158 T159 Y160 H201 S202L126-A195 HydrophobicContact CD1-CB 4.04Å; P129-A195 HydrophobicContact CB-CB 4.14Å; P129-A195 HydrophobicContact CG-CB 4.02Å; V151-A195 HydrophobicContact CG1-CB 4.25Å; V158-A195 HydrophobicContact CG1-CB 4.12Å; T159-A195 CarbonylContact O-C 3.58Å; T159-A195 WeakPolarHBondContact O-CA 3.31Å; Y160-A195 HydrophobicContact CD1-CB 3.92Å; Y160-A195 HydrophobicContact CE1-CB 3.91Å; A195-H201 WeakPolarHBondContact O-CA 3.35Å; A195-S202 PolarHBondContact N-O 2.82Å; A195-S202 PolarHBondContact O-N 3.14Å
196R94.2Very high92.5Very high95 Ų9555.2 Ų55.236%0.35829%0.285SS..EExtended strand (participates in β ladder)trans-139.9138.2-179.5-51.7-169.9-176.878.38.3111.7T159 S161 M194 S200 H201T159-R196 PolarHBondContact N-O 3Å; T159-R196 PolarHBondContact O-N 3.37Å; T159-R196 PolarHBondContact OG1-O 2.96Å; S161-R196 PolarHBondContact OG-NH1 3.17Å; M194-R196 PolarHBondContact SD-NH2 2.83Å; R196-S200 WeakPolarHBondContact CA-O 3.36Å; R196-H201 HydrophobicContact CB-CB 4.47Å; R196-H201 HydrophobicContact CG-CB 3.82Å
197N93.4Very high93.1Very high18 Ų1852.7 Ų52.710%0.09628%0.275CS..EExtended strand (participates in β ladder)trans-126.3175.8165.875.50.6000109.4E124 L126 V158 I199 S200E124-N197 PolarHBondContact O-ND2 2.71Å; L126-N197 HydrophobicContact CD1-CB 4.11Å; L126-N197 HydrophobicContact CD2-CB 4.38Å; L126-N197 HydrophobicContact CG-CB 4.31Å; V158-N197 HydrophobicContact CG2-CB 4.31Å; N197-I199 PolarHBondContact O-N 2.81Å; N197-I199 VanDerWaalsContact OD1-CG1 3.27Å; N197-I199 WeakPolarHBondContact OD1-CG1 3.44Å; N197-I199 PolarHBondContact OD1-N 2.68Å; N197-S200 PolarHBondContact N-O 3.27Å; N197-S200 PolarHBondContact O-N 3.45Å; N197-S200 VanDerWaalsContact O-O 3.1Å; N197-S200 PolarHBondContact OD1-N 3.15Å; N197-S200 PolarHBondContact OD1-O 2.89Å; N197-S200 PolarHBondContact OD1-OG 2.9Å
198P93.1Very high93.4Very high63 Ų6349 Ų4941%0.40926%0.262SS..THydrogen-bonded Turntrans-61.1-9.6-174.1-3039.5000117.1V30 Y123V30-P198 HydrophobicContact CG1-CB 3.75Å; V30-P198 HydrophobicContact CG2-CB 4.2Å; Y123-P198 HydrophobicContact CD2-CB 4.25Å; Y123-P198 HydrophobicContact CD2-CG 4.36Å; Y123-P198 HydrophobicContact CE1-CG 4.37Å; Y123-P198 HydrophobicContact CE2-CB 3.92Å; Y123-P198 HydrophobicContact CE2-CG 3.75Å
199I92.4Very high93.5Very high57 Ų5747.1 Ų47.129%0.29225%0.254SS..THydrogen-bonded Turntrans-116.1-17.9177.662.9168.2000114.7V30 A32 Y123 N197V30-I199 HydrophobicContact CG1-CG2 3.37Å; A32-I199 HydrophobicContact CB-CD1 3.61Å; Y123-I199 WeakPolarHBondContact O-CD1 3.47Å; N197-I199 PolarHBondContact O-N 2.81Å; N197-I199 VanDerWaalsContact OD1-CG1 3.27Å; N197-I199 WeakPolarHBondContact OD1-CG1 3.44Å; N197-I199 PolarHBondContact OD1-N 2.68Å
200S93Very high93.1Very high20 Ų2048.7 Ų48.714%0.1426%0.258CS..EExtended strand (participates in β ladder)trans-153.1154.4-166.168.10000113.2L126 R196 N197L126-S200 PolarHBondContact N-OG 2.81Å; R196-S200 WeakPolarHBondContact CA-O 3.36Å; N197-S200 PolarHBondContact N-O 3.27Å; N197-S200 PolarHBondContact O-N 3.45Å; N197-S200 VanDerWaalsContact O-O 3.1Å; N197-S200 PolarHBondContact OD1-N 3.15Å; N197-S200 PolarHBondContact OD1-O 2.89Å; N197-S200 PolarHBondContact OD1-OG 2.9Å
201H93.8Very high92.6Very high146 Ų14651 Ų5168%0.67627%0.269SS*.EExtended strand (participates in β ladder)trans-128.4147.5167.968.9-78.4000109.3A195 R196A195-H201 WeakPolarHBondContact O-CA 3.35Å; R196-H201 HydrophobicContact CB-CB 4.47Å; R196-H201 HydrophobicContact CG-CB 3.82Å
202S94.8Very high91.9Very high19 Ų1952.2 Ų52.213%0.13328%0.275CS..EExtended strand (participates in β ladder)trans-140.8164.9-178.5-173.30000109.4S127 A128 P129 M194 A195S127-S202 VanDerWaalsContact O-CB 3.26Å; S127-S202 WeakPolarHBondContact O-CB 3.48Å; S127-S202 PolarHBondContact O-OG 2.8Å; A128-S202 WeakPolarHBondContact CA-OG 3.33Å; P129-S202 VanDerWaalsContact CD-OG 3.23Å; P129-S202 WeakPolarHBondContact CD-OG 3.25Å; M194-S202 WeakPolarHBondContact CA-O 3.33Å; A195-S202 PolarHBondContact N-O 2.82Å; A195-S202 PolarHBondContact O-N 3.14Å
203S96.1Very high90.8Very high53 Ų5351.1 Ų51.137%0.37127%0.27SS..EExtended strand (participates in β ladder)trans-145.8147.1-178.6-62.10000111.8C193C193-S203 CarbonylContact O-C 3.52Å; C193-S203 WeakPolarHBondContact O-CA 3.42Å
204S96.2Very high89.2Confident11 Ų1156.1 Ų56.18%0.07729%0.293CS..PPolyproline II helixtrans-70.2163.4178.272.20000110.9P129 C193P129-S204 WeakPolarHBondContact O-CA 3.34Å; P129-S204 VanDerWaalsContact O-CB 3.28Å; P129-S204 WeakPolarHBondContact O-CB 3.26Å; C193-S204 PolarHBondContact N-OG 3.1Å; C193-S204 PolarHBondContact O-N 2.79Å
205N94.5Very high87.2Confident139 Ų13960.9 Ų60.974%0.74332%0.319SS*.PPolyproline II helixtrans-57.2147.5158.2-70.6-40.7000109.6
206P93.9Very high85Confident87 Ų8763.4 Ų63.457%0.56534%0.335SS*.PPolyproline II helixtrans-68.7133.7177.6-16.230.3000111.5T190 I192T190-P206 HydrophobicContact CG2-CB 3.55Å; I192-P206 HydrophobicContact CD1-CB 4.47Å; I192-P206 HydrophobicContact CD1-CG 4.45Å; I192-P206 HydrophobicContact CG1-CB 4.13Å; I192-P206 HydrophobicContact CG1-CG 4.48Å
207V92.2Very high82.9Confident31 Ų3161.9 Ų61.919%0.18834%0.342CS..EExtended strand (participates in β ladder)trans-111.5136.2179.5-171.80000109.5V131 T190 L191 L212V131-V207 HydrophobicContact CB-CG2 4.28Å; V131-V207 HydrophobicContact CG1-CG2 4.3Å; V131-V207 HydrophobicContact CG2-CG2 4.29Å; T190-V207 CarbonylContact C-O 3.54Å; T190-V207 WeakPolarHBondContact CA-O 3.29Å; L191-V207 PolarHBondContact N-O 2.92Å; L191-V207 PolarHBondContact O-N 3.08Å; V207-L212 HydrophobicContact CG1-CD1 3.61Å; V207-L212 HydrophobicContact CG1-CD2 3.89Å; V207-L212 HydrophobicContact CG1-CG 3.73Å
208L90.4Very high80.7Confident64 Ų6466.2 Ų66.234%0.33537%0.366SS..EExtended strand (participates in β ladder)trans-92.6133.8176.9-63.2179.9000110.8E188 R210 N211E188-L208 HydrophobicContact CG-CD2 4.14Å; L208-R210 VanDerWaalsContact C-N 3.25Å; L208-R210 PolarHBondContact O-N 2.8Å; L208-N211 HydrophobicContact CB-CB 4.42Å; L208-N211 WeakPolarHBondContact CB-OD1 3.34Å; L208-N211 PolarHBondContact O-N 2.9Å
209A86.1Confident78.7Confident6 Ų669.3 Ų69.35%0.0538%0.378CS..THydrogen-bonded Turntrans-59.2-34.7-179.400000113W182 E188 K189W182-A209 HydrophobicContact CG-CB 4.45Å; E188-A209 PolarHBondContact OE1-N 3.46Å; K189-A209 HydrophobicContact CB-CB 4.17Å; K189-A209 WeakPolarHBondContact O-CB 3.35Å; K189-A209 PolarHBondContact O-N 3.04Å
210R81.8Confident76.7Confident112 Ų11272.9 Ų72.942%0.42340%0.398SS..THydrogen-bonded Turntrans-65.1-49.2175.7-177.4-169.9-43.1-1704.2113.4W182 E188 L208 L212 C213 E214W182-R210 HydrophobicContact CH2-CB 4.32Å; W182-R210 HydrophobicContact CH2-CG 3.88Å; W182-R210 HydrophobicContact CZ2-CB 4.12Å; W182-R210 HydrophobicContact CZ2-CG 4.11Å; W182-R210 HydrophobicContact CZ3-CG 4.41Å; E188-R210 WeakPolarHBondContact OE1-CB 3.3Å; E188-R210 PolarHBondContact OE1-N 2.98Å; E188-R210 WeakPolarHBondContact OE2-CB 2.99Å; E188-R210 IonicContact OE2-CZ 3.18Å; E188-R210 IonicContact OE2-NE 2.84Å; E188-R210 PolarHBondContact OE2-NE 2.95Å; E188-R210 IonicContact OE2-NH2 2.71Å; E188-R210 PolarHBondContact OE2-NH2 2.86Å; L208-R210 VanDerWaalsContact C-N 3.25Å; L208-R210 PolarHBondContact O-N 2.8Å; R210-L212 PolarHBondContact O-N 3.49Å; R210-C213 WeakPolarHBondContact O-CA 3.22Å; R210-C213 WeakPolarHBondContact O-CB 3.36Å; R210-C213 PolarHBondContact O-N 3.09Å; R210-E214 PolarHBondContact O-N 2.82Å; R210-E214 VanDerWaalsContact O-N 3.12Å
211N82.3Confident74.6Confident87 Ų8780.5 Ų80.547%0.46543%0.428SS..Hα-helixtrans-57.9-40.3-172.8-65.134.9000111.2L208 C213 E214L208-N211 HydrophobicContact CB-CB 4.42Å; L208-N211 WeakPolarHBondContact CB-OD1 3.34Å; L208-N211 PolarHBondContact O-N 2.9Å; N211-C213 PolarHBondContact O-N 2.85Å; N211-E214 PolarHBondContact O-N 3.34Å; N211-E214 VanDerWaalsContact O-N 3.14Å
212L77.8Confident72.5Confident29 Ų2977.2 Ų77.215%0.15242%0.422CS..Hα-helixtrans-58.4-14.1175.7-68.4165.6000114.8T133 L147 I180 L191 V207 R210T133-L212 HydrophobicContact CG2-CD2 4.21Å; T133-L212 WeakPolarHBondContact OG1-CD2 3.39Å; L147-L212 HydrophobicContact CD1-CD1 3.75Å; L147-L212 HydrophobicContact CD2-CD1 3.75Å; L147-L212 HydrophobicContact CD2-CD2 3.74Å; L147-L212 HydrophobicContact CD2-CG 4.37Å; L147-L212 HydrophobicContact CG-CD1 4.27Å; I180-L212 HydrophobicContact CD1-CB 4.4Å; I180-L212 HydrophobicContact CD1-CD1 3.69Å; L191-L212 HydrophobicContact CD1-CD1 4.25Å; V207-L212 HydrophobicContact CG1-CD1 3.61Å; V207-L212 HydrophobicContact CG1-CD2 3.89Å; V207-L212 HydrophobicContact CG1-CG 3.73Å; R210-L212 PolarHBondContact O-N 3.49Å
213C72.1Confident70.6Confident10 Ų1078 Ų787%0.06843%0.428CS..Hα-helixtrans-118.2-10.5-177.4-61.20000112.9C143 W182 R210 N211 T216C143-C213 HydrophobicContact CB-CB 3.48Å; C143-C213 VanDerWaalsContact CB-CB 3.48Å; C143-C213 WeakPolarHBondContact CB-SG 3.45Å; C143-C213 WeakPolarHBondContact SG-CB 3.41Å; C143-C213 CovalentContact SG-SG 2.03Å; C143-C213 PolarHBondContact SG-SG 2.8Å; W182-C213 HydrophobicContact CE3-CB 4.17Å; R210-C213 WeakPolarHBondContact O-CA 3.22Å; R210-C213 WeakPolarHBondContact O-CB 3.36Å; R210-C213 PolarHBondContact O-N 3.09Å; N211-C213 PolarHBondContact O-N 2.85Å; C213-T216 PolarHBondContact O-OG1 2.53Å
214E64.4Low68.9Low105 Ų10580.2 Ų80.249%0.49144%0.44SS..Hα-helixtrans-82.4-31.2-175-163.6156.3-171.600111.7R210 N211 T216 A217 N218R210-E214 PolarHBondContact O-N 2.82Å; R210-E214 VanDerWaalsContact O-N 3.12Å; N211-E214 PolarHBondContact O-N 3.34Å; N211-E214 VanDerWaalsContact O-N 3.14Å; E214-T216 VanDerWaalsContact C-N 3.25Å; E214-T216 PolarHBondContact O-N 2.9Å; E214-A217 WeakPolarHBondContact O-CB 3.42Å; E214-A217 PolarHBondContact O-N 3.47Å; E214-A217 VanDerWaalsContact O-N 3.09Å; E214-N218 PolarHBondContact O-ND2 3.05Å
215D53.1Low67.4Low126 Ų12688.7 Ų88.767%0.67447%0.471SS*.Hα-helixtrans-59.7-33.1173.7-72.1-36.5000112.7A217D215-A217 VanDerWaalsContact C-N 3.3Å; D215-A217 PolarHBondContact O-N 2.63Å
216T50.5Low66Low53 Ų5388.9 Ų88.933%0.32547%0.465SS..Hα-helixtrans-70.2-25.9177.5650000113.1C213 E214C213-T216 PolarHBondContact O-OG1 2.53Å; E214-T216 VanDerWaalsContact C-N 3.25Å; E214-T216 PolarHBondContact O-N 2.9Å
217A49.3Very low64.9Low63 Ų6389.5 Ų89.552%0.52146%0.463SS..Hα-helixtrans-75.7-23.7-176.300000113.4E214 D215E214-A217 WeakPolarHBondContact O-CB 3.42Å; E214-A217 PolarHBondContact O-N 3.47Å; E214-A217 VanDerWaalsContact O-N 3.09Å; D215-A217 VanDerWaalsContact C-N 3.3Å; D215-A217 PolarHBondContact O-N 2.63Å
218N46.8Very low64.1Low109 Ų10993.7 Ų93.758%0.58348%0.484SS*.Hα-helixtrans-74.5-27-178.5-74-62.5000113.1E214E214-N218 PolarHBondContact O-ND2 3.05Å
219L52.1Low63.3Low128 Ų12898.9 Ų98.967%0.6750%0.5SS*.Hα-helixtrans-70.8-44.6-179.7-65173.9000112.2K221 S222L219-K221 PolarHBondContact O-N 3.38Å; L219-S222 PolarHBondContact O-N 2.75Å; L219-S222 PolarHBondContact O-OG 2.85Å
220D49.8Very low62.9Low132 Ų132102.2 Ų102.271%0.70652%0.52SS*.Hα-helixtrans-61.2-31.3-178.4-116.3-13.8000112.3S222 S223D220-S222 PolarHBondContact O-N 3.22Å; D220-S223 WeakPolarHBondContact O-CB 3.28Å; D220-S223 PolarHBondContact O-N 2.8Å
221K49.8Very low63Low180 Ų180102 Ų10278%0.78353%0.527SS*.THydrogen-bonded Turntrans-69.6-17.4178.6-155.1173.6-174.71790113.7L219 S223L219-K221 PolarHBondContact O-N 3.38Å; K221-S223 VanDerWaalsContact C-N 3.34Å
222S48.4Very low63.1Low78 Ų78101 Ų10155%0.54553%0.525SS..THydrogen-bonded Turntrans-88.18173.871.40000114.5L219 D220L219-S222 PolarHBondContact O-N 2.75Å; L219-S222 PolarHBondContact O-OG 2.85Å; D220-S222 PolarHBondContact O-N 3.22Å
223S55Low63.6Low35 Ų35104.6 Ų104.625%0.24555%0.548CS..  trans-53.9122.5-179.9-1710000111.5D220 K221 R225 F226D220-S223 WeakPolarHBondContact O-CB 3.28Å; D220-S223 PolarHBondContact O-N 2.8Å; K221-S223 VanDerWaalsContact C-N 3.34Å; S223-R225 PolarHBondContact O-N 2.81Å; S223-F226 WeakPolarHBondContact O-CB 3.49Å; S223-F226 PolarHBondContact O-N 2.99Å
224P60.6Low64.3Low99 Ų99106.8 Ų106.864%0.64357%0.566SS**Hα-helixtrans-63-19.2-176.224-34000112.7I227 L228P224-I227 PolarHBondContact O-N 2.65Å; P224-L228 WeakPolarHBondContact O-CB 3.49Å; P224-L228 PolarHBondContact O-N 3.07Å
225R65.7Low65.6Low190 Ų190105.9 Ų105.972%0.71756%0.564SS**Hα-helixtrans-62.4-40.6170.5-64.7177.2178.7151.10.4112S223 L228 Y229S223-R225 PolarHBondContact O-N 2.81Å; R225-L228 PolarHBondContact O-N 2.8Å; R225-Y229 WeakPolarHBondContact O-CD2 3.45Å; R225-Y229 PolarHBondContact O-N 2.79Å; R225-Y229 VanDerWaalsContact O-N 3.12Å
226F65Low67.5Low143 Ų143104.2 Ų104.263%0.62756%0.558SS**Hα-helixtrans-67.4-40.1179.7-119.6-79.7000111.5S223 Y229 T230S223-F226 WeakPolarHBondContact O-CB 3.49Å; S223-F226 PolarHBondContact O-N 2.99Å; F226-Y229 PolarHBondContact O-N 2.79Å; F226-T230 HydrophobicContact CD1-CG2 4.12Å; F226-T230 WeakPolarHBondContact O-CB 3.48Å; F226-T230 WeakPolarHBondContact O-CG2 3.47Å; F226-T230 PolarHBondContact O-N 2.86Å; F226-T230 PolarHBondContact O-OG1 2.79Å
227I70Confident69.4Low100 Ų100108.2 Ų108.251%0.51357%0.572SS.*Hα-helixtrans-63.4-45.2174.1-56.6176.4000110.1P224 Y229 T230 L231P224-I227 PolarHBondContact O-N 2.65Å; I227-Y229 VanDerWaalsContact C-N 3.3Å; I227-Y229 PolarHBondContact O-N 2.77Å; I227-T230 PolarHBondContact O-N 3.32Å; I227-T230 PolarHBondContact O-OG1 2.89Å; I227-L231 WeakPolarHBondContact O-CB 3.37Å; I227-L231 PolarHBondContact O-N 2.88Å; I227-L231 VanDerWaalsContact O-N 3.1Å
228L74.9Confident71.4Confident119 Ų119107.9 Ų107.962%0.62357%0.565SS**Hα-helixtrans-61.7-32.1-179.8-175.763.1000113.7P224 R225 P232P224-L228 WeakPolarHBondContact O-CB 3.49Å; P224-L228 PolarHBondContact O-N 3.07Å; R225-L228 PolarHBondContact O-N 2.8Å; L228-P232 WeakPolarHBondContact O-CD 3.48Å; L228-P232 WeakPolarHBondContact O-CG 3.32Å
229Y74.4Confident73.6Confident172 Ų172107 Ų10768%0.67556%0.56SS**Hα-helixtrans-90.3-31177.1-69.7-61000114.3R225 F226 I227 V233R225-Y229 WeakPolarHBondContact O-CD2 3.45Å; R225-Y229 PolarHBondContact O-N 2.79Å; R225-Y229 VanDerWaalsContact O-N 3.12Å; F226-Y229 PolarHBondContact O-N 2.79Å; I227-Y229 VanDerWaalsContact C-N 3.3Å; I227-Y229 PolarHBondContact O-N 2.77Å; Y229-V233 WeakPolarHBondContact O-CG2 3.31Å
230T78.3Confident75.5Confident77 Ų77104.5 Ų104.547%0.47255%0.55SS..Hα-helixtrans-79-39.5-178.249.80000113F226 I227 V233 A234F226-T230 HydrophobicContact CD1-CG2 4.12Å; F226-T230 WeakPolarHBondContact O-CB 3.48Å; F226-T230 WeakPolarHBondContact O-CG2 3.47Å; F226-T230 PolarHBondContact O-N 2.86Å; F226-T230 PolarHBondContact O-OG1 2.79Å; I227-T230 PolarHBondContact O-N 3.32Å; I227-T230 PolarHBondContact O-OG1 2.89Å; T230-V233 PolarHBondContact O-N 2.83Å; T230-A234 PolarHBondContact O-N 2.95Å; T230-A234 VanDerWaalsContact O-N 3.1Å
231L82.5Confident77.6Confident108 Ų108102.8 Ų102.857%0.56554%0.541SS*.Hα-helixtrans-62.9-45.4-176.3-167.671.3000113.5I227 V233 A234 I235I227-L231 WeakPolarHBondContact O-CB 3.37Å; I227-L231 PolarHBondContact O-N 2.88Å; I227-L231 VanDerWaalsContact O-N 3.1Å; L231-V233 PolarHBondContact O-N 2.81Å; L231-A234 PolarHBondContact O-N 2.97Å; L231-I235 HydrophobicContact CG-CD1 4.17Å; L231-I235 WeakPolarHBondContact O-CG1 3.32Å; L231-I235 PolarHBondContact O-N 3.19Å; L231-I235 VanDerWaalsContact O-N 3.11Å
232P85.4Confident79.5Confident66 Ų6699.4 Ų99.443%0.42953%0.53SS..Hα-helixtrans-66.2-36.3178.3-20.634.3000112.8L228 I235 V236L228-P232 WeakPolarHBondContact O-CD 3.48Å; L228-P232 WeakPolarHBondContact O-CG 3.32Å; P232-I235 PolarHBondContact O-N 3.47Å; P232-V236 WeakPolarHBondContact O-CG2 3.29Å; P232-V236 PolarHBondContact O-N 2.87Å
233V87.6Confident81.5Confident103 Ų103100.8 Ų100.862%0.62453%0.53SS*.Hα-helixtrans-65.9-41.5178.7175.20000110.7Y229 T230 L231 I235 V236 F237Y229-V233 WeakPolarHBondContact O-CG2 3.31Å; T230-V233 PolarHBondContact O-N 2.83Å; L231-V233 PolarHBondContact O-N 2.81Å; V233-I235 VanDerWaalsContact C-N 3.35Å; V233-I235 PolarHBondContact O-N 2.96Å; V233-V236 PolarHBondContact O-N 2.89Å; V233-F237 WeakPolarHBondContact O-CB 3.37Å; V233-F237 PolarHBondContact O-N 2.73Å
234A87.8Confident83.2Confident56 Ų56101.3 Ų101.346%0.46354%0.536SS..Hα-helixtrans-63.6-38.1173.900000112.7T230 L231 S238T230-A234 PolarHBondContact O-N 2.95Å; T230-A234 VanDerWaalsContact O-N 3.1Å; L231-A234 PolarHBondContact O-N 2.97Å; A234-S238 WeakPolarHBondContact O-CB 3.48Å; A234-S238 PolarHBondContact O-N 3.02Å; A234-S238 PolarHBondContact O-OG 2.85Å
235I90.9Very high84.5Confident87 Ų87103.7 Ų103.745%0.44654%0.537SS..Hα-helixtrans-65.9-46.5175.2-68164.8000110.9L231 P232 V233 F237 S238 L239L231-I235 HydrophobicContact CG-CD1 4.17Å; L231-I235 WeakPolarHBondContact O-CG1 3.32Å; L231-I235 PolarHBondContact O-N 3.19Å; L231-I235 VanDerWaalsContact O-N 3.11Å; P232-I235 PolarHBondContact O-N 3.47Å; V233-I235 VanDerWaalsContact C-N 3.35Å; V233-I235 PolarHBondContact O-N 2.96Å; I235-F237 PolarHBondContact O-N 3.2Å; I235-S238 WeakPolarHBondContact CA-OG 3.32Å; I235-S238 PolarHBondContact O-N 3.16Å; I235-S238 PolarHBondContact O-OG 2.88Å; I235-S238 VanDerWaalsContact O-OG 3.04Å; I235-L239 HydrophobicContact CG2-CD1 3.89Å; I235-L239 HydrophobicContact CG2-CG 4.46Å; I235-L239 WeakPolarHBondContact O-CB 3.35Å; I235-L239 VanDerWaalsContact O-CG 3.26Å; I235-L239 WeakPolarHBondContact O-CG 3.31Å; I235-L239 PolarHBondContact O-N 2.79Å
236V92.7Very high85.5Confident91 Ų9196.8 Ų96.855%0.55252%0.52SS*.Hα-helixtrans-63.3-41.6177.4171.80000111.5P232 V233 L239 T240P232-V236 WeakPolarHBondContact O-CG2 3.29Å; P232-V236 PolarHBondContact O-N 2.87Å; V233-V236 PolarHBondContact O-N 2.89Å; V236-L239 PolarHBondContact O-N 2.83Å; V236-T240 WeakPolarHBondContact O-CG2 3.39Å; V236-T240 PolarHBondContact O-N 2.85Å; V236-T240 PolarHBondContact O-OG1 2.98Å
237F91.3Very high86.5Confident137 Ų13793.7 Ų93.760%0.60151%0.513SS*.Hα-helixtrans-66.6-41.9178.6-172.3-106.8000112.7V233 I235 T240 L241V233-F237 WeakPolarHBondContact O-CB 3.37Å; V233-F237 PolarHBondContact O-N 2.73Å; I235-F237 PolarHBondContact O-N 3.2Å; F237-T240 PolarHBondContact O-N 3.15Å; F237-T240 PolarHBondContact O-OG1 3.2Å; F237-L241 HydrophobicContact CD1-CD1 3.96Å; F237-L241 HydrophobicContact CE1-CD1 3.59Å; F237-L241 HydrophobicContact CE1-CG 4.38Å; F237-L241 HydrophobicContact CZ-CD1 4.1Å; F237-L241 WeakPolarHBondContact O-CG 3.49Å; F237-L241 PolarHBondContact O-N 3.14Å; F237-L241 VanDerWaalsContact O-N 3.14Å
238S90.8Very high87Confident55 Ų5598.4 Ų98.439%0.38553%0.525SS..Hα-helixtrans-66.9-38.8175.148.30000112.4A234 I235 L241 I242A234-S238 WeakPolarHBondContact O-CB 3.48Å; A234-S238 PolarHBondContact O-N 3.02Å; A234-S238 PolarHBondContact O-OG 2.85Å; I235-S238 WeakPolarHBondContact CA-OG 3.32Å; I235-S238 PolarHBondContact O-N 3.16Å; I235-S238 PolarHBondContact O-OG 2.88Å; I235-S238 VanDerWaalsContact O-OG 3.04Å; S238-L241 PolarHBondContact O-N 2.98Å; S238-I242 WeakPolarHBondContact O-CD1 3.36Å; S238-I242 VanDerWaalsContact O-CG1 3.27Å; S238-I242 WeakPolarHBondContact O-CG1 3.39Å; S238-I242 PolarHBondContact O-N 3.26Å
239L93.6Very high86.8Confident91 Ų9196 Ų9648%0.47652%0.515SS..Hα-helixtrans-62.2-43.2174.1-73.4170.2000112.7I235 V236 L241 I242 I243I235-L239 HydrophobicContact CG2-CD1 3.89Å; I235-L239 HydrophobicContact CG2-CG 4.46Å; I235-L239 WeakPolarHBondContact O-CB 3.35Å; I235-L239 VanDerWaalsContact O-CG 3.26Å; I235-L239 WeakPolarHBondContact O-CG 3.31Å; I235-L239 PolarHBondContact O-N 2.79Å; V236-L239 PolarHBondContact O-N 2.83Å; L239-L241 VanDerWaalsContact C-N 3.34Å; L239-L241 PolarHBondContact O-N 3.45Å; L239-I242 PolarHBondContact O-N 3.34Å; L239-I243 VanDerWaalsContact O-CG1 3.3Å; L239-I243 WeakPolarHBondContact O-CG1 3.45Å; L239-I243 PolarHBondContact O-N 2.9Å
240T92Very high86.4Confident75 Ų7594.9 Ų94.946%0.4652%0.516SS..Hα-helixtrans-66.8-35.2177.6560000112.4V236 F237 A244V236-T240 WeakPolarHBondContact O-CG2 3.39Å; V236-T240 PolarHBondContact O-N 2.85Å; V236-T240 PolarHBondContact O-OG1 2.98Å; F237-T240 PolarHBondContact O-N 3.15Å; F237-T240 PolarHBondContact O-OG1 3.2Å; T240-A244 VanDerWaalsContact O-CB 3.28Å; T240-A244 WeakPolarHBondContact O-CB 3.44Å; T240-A244 PolarHBondContact O-N 3.04Å
241L92.3Very high85.5Confident97 Ų97100 Ų10051%0.50853%0.532SS..Hα-helixtrans-64.9-42.4171.9-71.6175.5000112.6F237 S238 L239 A244 F245F237-L241 HydrophobicContact CD1-CD1 3.96Å; F237-L241 HydrophobicContact CE1-CD1 3.59Å; F237-L241 HydrophobicContact CE1-CG 4.38Å; F237-L241 HydrophobicContact CZ-CD1 4.1Å; F237-L241 WeakPolarHBondContact O-CG 3.49Å; F237-L241 PolarHBondContact O-N 3.14Å; F237-L241 VanDerWaalsContact O-N 3.14Å; S238-L241 PolarHBondContact O-N 2.98Å; L239-L241 VanDerWaalsContact C-N 3.34Å; L239-L241 PolarHBondContact O-N 3.45Å; L241-A244 PolarHBondContact O-N 3.21Å; L241-F245 WeakPolarHBondContact O-CB 3.47Å; L241-F245 PolarHBondContact O-N 2.88Å
242I91.1Very high84.3Confident108 Ų10898 Ų9855%0.55454%0.537SS*.Hα-helixtrans-62-45.7176.6-69.9162.6000110.8S238 L239 F245 A246S238-I242 WeakPolarHBondContact O-CD1 3.36Å; S238-I242 VanDerWaalsContact O-CG1 3.27Å; S238-I242 WeakPolarHBondContact O-CG1 3.39Å; S238-I242 PolarHBondContact O-N 3.26Å; L239-I242 PolarHBondContact O-N 3.34Å; I242-F245 PolarHBondContact O-N 2.87Å; I242-A246 PolarHBondContact O-N 2.84Å
243I90.2Very high82.6Confident108 Ų108104 Ų10455%0.55456%0.556SS**Hα-helixtrans-63.1-45177.1-66.6163.8000110.7L239 F245 A246 V247L239-I243 VanDerWaalsContact O-CG1 3.3Å; L239-I243 WeakPolarHBondContact O-CG1 3.45Å; L239-I243 PolarHBondContact O-N 2.9Å; I243-F245 VanDerWaalsContact C-N 3.29Å; I243-F245 PolarHBondContact O-N 3.31Å; I243-A246 PolarHBondContact O-N 2.87Å; I243-V247 WeakPolarHBondContact O-CG2 3.4Å; I243-V247 PolarHBondContact O-N 2.93Å
244A89.2Confident80.9Confident46 Ų46102.3 Ų102.338%0.3856%0.56SS.*Hα-helixtrans-63.1-34.3177.400000112.7T240 L241 R248T240-A244 VanDerWaalsContact O-CB 3.28Å; T240-A244 WeakPolarHBondContact O-CB 3.44Å; T240-A244 PolarHBondContact O-N 3.04Å; L241-A244 PolarHBondContact O-N 3.21Å; A244-R248 VanDerWaalsContact O-CG 3.26Å; A244-R248 WeakPolarHBondContact O-CG 3.48Å; A244-R248 PolarHBondContact O-N 2.78Å
245F88.1Confident78.8Confident148 Ų148105.3 Ų105.365%0.64958%0.577SS**Hα-helixtrans-69.2-47.9173.9-170-94.5000111.6L241 I242 I243 V247 R248 T249L241-F245 WeakPolarHBondContact O-CB 3.47Å; L241-F245 PolarHBondContact O-N 2.88Å; I242-F245 PolarHBondContact O-N 2.87Å; I243-F245 VanDerWaalsContact C-N 3.29Å; I243-F245 PolarHBondContact O-N 3.31Å; F245-V247 PolarHBondContact O-N 2.77Å; F245-R248 WeakPolarHBondContact O-CB 3.43Å; F245-R248 PolarHBondContact O-N 2.77Å; F245-R248 VanDerWaalsContact O-N 3.14Å; F245-T249 HydrophobicContact CD1-CG2 4.04Å; F245-T249 HydrophobicContact CE1-CG2 3.72Å; F245-T249 HydrophobicContact CZ-CG2 4.18Å; F245-T249 PolarHBondContact O-N 2.85Å
246A87.2Confident76.5Confident45 Ų45110.6 Ų110.637%0.37260%0.597SS.*Hα-helixtrans-55.5-51177.900000112I242 I243 R248 T249 E250I242-A246 PolarHBondContact O-N 2.84Å; I243-A246 PolarHBondContact O-N 2.87Å; A246-R248 VanDerWaalsContact C-N 3.28Å; A246-R248 PolarHBondContact O-N 2.71Å; A246-T249 PolarHBondContact O-N 2.83Å; A246-T249 PolarHBondContact O-OG1 2.83Å; A246-E250 PolarHBondContact O-N 3.1Å
247V86.4Confident73.8Confident79 Ų79116.1 Ų116.148%0.47961%0.614SS.*Hα-helixtrans-60.7-34.4178.6173.30000112.3I243 F245 K251I243-V247 WeakPolarHBondContact O-CG2 3.4Å; I243-V247 PolarHBondContact O-N 2.93Å; F245-V247 PolarHBondContact O-N 2.77Å; V247-K251 PolarHBondContact O-N 2.92Å
248R80.5Confident71.2Confident199 Ų199116.5 Ų116.575%0.75162%0.622SS**Hα-helixtrans-66.9-40.9172.4-74.8172.8-179.7-165.90.7111.9A244 F245 A246 G252A244-R248 VanDerWaalsContact O-CG 3.26Å; A244-R248 WeakPolarHBondContact O-CG 3.48Å; A244-R248 PolarHBondContact O-N 2.78Å; F245-R248 WeakPolarHBondContact O-CB 3.43Å; F245-R248 PolarHBondContact O-N 2.77Å; F245-R248 VanDerWaalsContact O-N 3.14Å; A246-R248 VanDerWaalsContact C-N 3.28Å; A246-R248 PolarHBondContact O-N 2.71Å; R248-G252 PolarHBondContact O-N 3Å
249T70.9Confident68.6Low68 Ų68119.4 Ų119.442%0.41764%0.638SS.*Hα-helixtrans-69.6-2917960.80000113.9F245 A246F245-T249 HydrophobicContact CD1-CG2 4.04Å; F245-T249 HydrophobicContact CE1-CG2 3.72Å; F245-T249 HydrophobicContact CZ-CG2 4.18Å; F245-T249 PolarHBondContact O-N 2.85Å; A246-T249 PolarHBondContact O-N 2.83Å; A246-T249 PolarHBondContact O-OG1 2.83Å
250E66.6Low65.7Low148 Ų148122.8 Ų122.869%0.69265%0.651SS**Hα-helixtrans-75.3-45.1174.2-68.3-167.2139.300112.3A246 G252 K253A246-E250 PolarHBondContact O-N 3.1Å; E250-G252 PolarHBondContact O-N 3.01Å; E250-G252 VanDerWaalsContact O-N 3.11Å; E250-K253 PolarHBondContact O-N 2.8Å
251K57.8Low62.7Low186 Ų186129.5 Ų129.581%0.80967%0.668SS**Hα-helixtrans-58.9-24.4174.7-91.6-170.6170.6-175.50113.3V247 K253V247-K251 PolarHBondContact O-N 2.92Å; K251-K253 VanDerWaalsContact C-N 3.28Å; K251-K253 PolarHBondContact O-N 2.88Å
252G57.4Low59.9Low66 Ų66130.8 Ų130.868%0.6868%0.68SS**THydrogen-bonded Turntrans-72.4-6.8174.800000116.1R248 E250R248-G252 PolarHBondContact O-N 3Å; E250-G252 PolarHBondContact O-N 3.01Å; E250-G252 VanDerWaalsContact O-N 3.11Å
253K51.2Low57.1Low190 Ų190132 Ų13283%0.82669%0.687SS**THydrogen-bonded Turntrans-106.75.9-175.6-72.9-179.3176175.10115.2E250 K251E250-K253 PolarHBondContact O-N 2.8Å; K251-K253 VanDerWaalsContact C-N 3.28Å; K251-K253 PolarHBondContact O-N 2.88Å
254G51.4Low54.2Low68 Ų68133.2 Ų133.270%0.70170%0.695SS**  trans-108.544.7-164.300000118
255S42.3Very low51.4Low119 Ų119140.6 Ų140.683%0.83272%0.719SS**  trans-160.9117.3161.4-169.40000114.2
256K43.4Very low48.7Very low199 Ų199138.5 Ų138.587%0.86572%0.721SS**  trans-169.2108.2154.5-134.2179.1-176.3-179.10111.8
257K37Very low46.7Very low206 Ų206141.7 Ų141.790%0.89674%0.738SS**  trans-175.1147.9158.7-111.4176.2-178.8-175.30110
258D36.1Very low44.2Very low145 Ų145144.2 Ų144.278%0.77575%0.748SS**  trans-123.3173.7-166.4-52.8-79.8000113.1
259T35.6Very low41.8Very low117 Ų117142.6 Ų142.672%0.71875%0.749SS**  trans109.3123.2145.4-53.50000119.8
260E32.7Very low39.8Very low161 Ų161145.8 Ų145.875%0.75276%0.76SS**  trans62.3126.2160.4-71179.311500120.1
261R29.9Very low37.9Very low217 Ų217146 Ų14682%0.81977%0.765SS**  75.2139.564.8-91.5-175.2174.6165.4-2.1113.9
262V33.4Very low36.8Very low124 Ų124142 Ų14275%0.75276%0.756SS**  cis-100.9-1255.7-150.60000111.5
263D30.9Very low35.6Very low132 Ų132146 Ų14671%0.70676%0.758SS**  cis-148-154.6-4.4-155.775.4000111.3
264N30.9Very low34.7Very low134 Ų134146.4 Ų146.472%0.71776%0.755SS**  trans-108.1139.6-156.6-61.7-80.5000116.9
265F30.4Very low33.9Very low201 Ų201147.7 Ų147.788%0.88276%0.759SS**  -157.3145120.6-148.4-100.9000111.8
266C31.4Very low33.6Very low104 Ų104148.7 Ų148.770%0.70376%0.76SS**  trans-168.1177-174.1-1000000108.9
267P44.5Very low33.5Very low113 Ų113146.7 Ų146.773%0.73476%0.758SS**  cis-101.4-127414.310.7000110.5
268L33.6Very low33.9Very low132 Ų132142 Ų14269%0.69175%0.749SS**  cis-172.2144.25.3-165.371.4000104.9
269E30.7Very low33.9Very low165 Ų165145 Ų14577%0.77175%0.75SS**  cis-158.8173.4-2.3-119.6165173.800106.2
270E27.4Very low34.1Very low135 Ų135145.1 Ų145.163%0.63175%0.745SS**  cis-152.7149-6178.2-95.5129.800107T272E270-T272 PolarHBondContact OE1-N 2.82Å
271N28Very low34.2Very low151 Ų151143.8 Ų143.881%0.80774%0.743SS**  trans-165.8112.5158.451-20.6000114.4
272T34.3Very low34.7Very low102 Ų102141.4 Ų141.463%0.62674%0.741SS**  trans-54.5130.4157.235.60000111.4E270E270-T272 PolarHBondContact OE1-N 2.82Å
273E32.6Very low34.7Very low152 Ų152146.2 Ų146.271%0.7175%0.746SS**  61129.490.9-122.5-169.115600113.1
274Y31.7Very low34.7Very low198 Ų198144 Ų14478%0.77674%0.741SS**  cis-148.2169.322.2-16.1-103.8000110.3
275A35.2Very low35Very low95 Ų95145.5 Ų145.579%0.78575%0.748SS**  trans-103.9152.8176.600000113.3
276T35.8Very low35.3Very low139 Ų139144.4 Ų144.485%0.85375%0.746SS**  trans-148.3126.4164.6-62.10000111.2
277I41.8Very low35.5Very low158 Ų158147.6 Ų147.681%0.8176%0.756SS**  trans-133.3150.1158.6-27.1177.8000105.1
278P45.8Very low35.1Very low108 Ų108149.7 Ų149.770%0.70176%0.761SS**  -154.7152.798.740.6-23.4000116.5
279Y34.5Very low35.3Very low208 Ų208147.6 Ų147.682%0.81676%0.763SS**  trans68.4157.4140.5-97.4-159.2000120.7
280I40.9Very low35.8Very low119 Ų119144.1 Ų144.161%0.6176%0.762SS**  cis-150152.4-0.8-148.3-178.8000114.6
281N33.3Very low36.4Very low132 Ų132145.9 Ų145.971%0.70678%0.776SS**  trans61.1153.2147-126.91.6000125.7
282E40.7Very low37Very low167 Ų167143.8 Ų143.878%0.7877%0.768SS**  trans-99.7165179.1-47.7169.212000113.7
283R33.3Very low37.3Very low226 Ų226146.7 Ų146.785%0.85378%0.779SS**  179.8153.3123.1-100.1-176.6-77-179.7-5.1109.5
284S30.8Very low37.4Very low86 Ų86149.1 Ų149.160%0.60178%0.783SS**  cis174.4155.2-26.149.90000108
285L37.3Very low37.6Very low164 Ų164144.8 Ų144.886%0.85978%0.782SS**  trans84.3111.2166.4-61.8160.8000117.7
286E38Very low38Very low179 Ų179146.2 Ų146.284%0.83678%0.781SS**  trans-62156.5141.7-66.6124.9104.400111.3
287D34.5Very low38.2Very low171 Ų171145.6 Ų145.691%0.91478%0.777SS**  -154.3160.2119.4-132-25.4000110.2
288D37.5Very low38.1Very low156 Ų156146.4 Ų146.483%0.83478%0.777SS**  trans-109.9175.7-164.3-152.8-10.8000114
289A37.2Very low37.9Very low89 Ų89148.5 Ų148.574%0.73678%0.781SS**  trans92.9169.515400000122
290A40.8Very low38.5Very low91 Ų91144.1 Ų144.175%0.75278%0.778SS**  trans81.379.1173.700000119.2T292A290-T292 PolarHBondContact O-N 2.9Å
291N40.9Very low38.4Very low172 Ų172148 Ų14892%0.9279%0.791SS**  trans-56.3131.9156.7-74.6-34.8000111.6
292T40.3Very low38.9Very low107 Ų107146.7 Ų146.766%0.65680%0.798SS**  trans-143.9115.3158.8-48.70000110.1A290 Y294A290-T292 PolarHBondContact O-N 2.9Å; T292-Y294 HydrophobicContact CG2-CD2 4.12Å; T292-Y294 HydrophobicContact CG2-CE2 3.59Å
293L39.4Very low39.1Very low163 Ų163145.3 Ų145.385%0.85380%0.801SS**  trans-115.6109.9-178.7-171.9148.1000110.2
294Y34.6Very low39.5Very low204 Ų204143.9 Ų143.980%0.880%0.801SS**  trans-88.1128.3174.8-73.6-84.8000110.8T292T292-Y294 HydrophobicContact CG2-CD2 4.12Å; T292-Y294 HydrophobicContact CG2-CE2 3.59Å
295S37Very low39.8Very low106 Ų106145 Ų14574%0.74181%0.809SS**  trans-101.8120.4171.8-173.80000110.1
296T42.8Very low39.9Very low125 Ų125141.3 Ų141.377%0.76779%0.794SS**  trans-91.9108.8-179.3-57.50000110.2Q298T296-Q298 PolarHBondContact O-N 3.04Å
297V40Very low40Very low127 Ų127138.7 Ų138.777%0.7780%0.796SS**  trans-71.7113.8177.3179.90000110.2
298Q39.5Very low40.1Very low175 Ų175140.2 Ų140.282%0.81879%0.79SS**PPolyproline II helixtrans-83.3127169.7-66.6-169.56.100110.5T296 P300T296-Q298 PolarHBondContact O-N 3.04Å; Q298-P300 WeakPolarHBondContact O-CD 3.28Å
299I43.4Very low40.5Very low151 Ų151140.5 Ų140.577%0.77479%0.791SS**PPolyproline II helixtrans-87.3121.1176.5-57.5173.2000108.9
300P45.1Very low40.7Very low117 Ų117142.5 Ų142.576%0.7680%0.796SS**PPolyproline II helixtrans-63.6137.4175.2-2234.1000112Q298Q298-P300 WeakPolarHBondContact O-CD 3.28Å
301K40.8Very low40.7Very low200 Ų200142.6 Ų142.687%0.8780%0.797SS**PPolyproline II helixtrans-72.8138.2174.1-68.7-179.3179.3176.80110.3V303K301-V303 PolarHBondContact O-N 3.1Å
302A41.8Very low40.8Very low105 Ų105143.4 Ų143.487%0.86880%0.795SS**PPolyproline II helixtrans-61.8124.3-179.400000112.1
303V45.8Very low41.3Very low137 Ų137143.8 Ų143.883%0.8380%0.8SS**PPolyproline II helixtrans-81.6126.2172.91780000108.9K301 S305K301-V303 PolarHBondContact O-N 3.1Å; V303-S305 PolarHBondContact O-N 3.27Å
304K42Very low41.4Very low197 Ų197141.4 Ų141.486%0.85779%0.794SS**PPolyproline II helixtrans-71.4126.2169.3-77.3-174.6173.9-177.40109.4
305S37.2Very low41.5Very low110 Ų110140.5 Ų140.577%0.76980%0.799SS**PPolyproline II helixtrans-67.6135.4173-168.40000111V303V303-S305 PolarHBondContact O-N 3.27Å
306P38.2Very low41.4Very low85 Ų85146.8 Ų146.855%0.55281%0.807SS**PPolyproline II helixtrans-68.8133.5167.3-13.528.5000110.7Y308P306-Y308 HydrophobicContact CB-CD2 4.32Å; P306-Y308 HydrophobicContact CB-CE2 3.81Å; P306-Y308 HydrophobicContact CG-CE2 4.27Å; P306-Y308 WeakPolarHBondContact O-CD2 3.35Å; P306-Y308 PolarHBondContact O-N 3.33Å
307S40.6Very low40.9Very low124 Ų124152.2 Ų152.287%0.86781%0.814SS**  trans-76.7105.7174.4530000110.9
308Y37.1Very low40.7Very low203 Ų203155.4 Ų155.480%0.79682%0.82SS**PPolyproline II helixtrans-92.2129.9170.6-72.5-84.7000110.8P306P306-Y308 HydrophobicContact CB-CD2 4.32Å; P306-Y308 HydrophobicContact CB-CE2 3.81Å; P306-Y308 HydrophobicContact CG-CE2 4.27Å; P306-Y308 WeakPolarHBondContact O-CD2 3.35Å; P306-Y308 PolarHBondContact O-N 3.33Å
309L46.1Very low40.5Very low163 Ų163154.7 Ų154.785%0.85382%0.821SS**PPolyproline II helixtrans-75.8150.2167-69.5167.2000109.8A311L309-A311 PolarHBondContact O-N 3.18Å
310P40.9Very low40Very low130 Ų130152.7 Ų152.784%0.84482%0.82SS**PPolyproline II helixtrans-66.6132.5175.4-16.530.7000111.2
311A40.7Very low39.6Very low94 Ų94156.8 Ų156.878%0.77783%0.826SS**PPolyproline II helixtrans-86.6147.2163.400000109.8L309L309-A311 PolarHBondContact O-N 3.18Å
312E43.7Very low39.5Very low188 Ų188155.8 Ų155.888%0.87983%0.825SS**PPolyproline II helixtrans-66.8142.7175.9-66.2-178.5116.100111.6
313P50.8Low39.2Very low116 Ų116158.3 Ų158.375%0.75382%0.824SS**PPolyproline II helixtrans-72.8140.2174.230.6-33.9000110.9M315P313-M315 PolarHBondContact O-N 3.15Å
314P41Very low38.9Very low113 Ų113159.8 Ų159.873%0.73483%0.825SS**PPolyproline II helixtrans-66.8135.9178.427.1-34000112W316P314-W316 PolarHBondContact O-N 3.31Å
315M36.9Very low39.3Very low184 Ų184161.8 Ų161.891%0.90684%0.843SS**PPolyproline II helixtrans-61.4122.2178.8177.5177.56200112.1P313P313-M315 PolarHBondContact O-N 3.15Å
316W34.1Very low39.4Very low238 Ų238164.4 Ų164.490%0.90285%0.847SS**PPolyproline II helixtrans-74.1134.5174.8-69.389.2000111.3P314P314-W316 PolarHBondContact O-N 3.31Å
317R34Very low39.5Very low240 Ų240168.6 Ų168.691%0.90686%0.862SS**PPolyproline II helixtrans-72.7135.3174-64-176.1-177.5-170.40.9110.1
318Q34.3Very low39.4Very low194 Ų194171.1 Ų171.191%0.90786%0.862SS**PPolyproline II helixtrans-66.7132.4164.7-68.5171.8-86.900109.5
319L35.8Very low39.5Very low160 Ų160169.2 Ų169.284%0.83887%0.866SS**  trans-91.2114.6163.9-77.5166.3000108.2
320S32Very low39.1Very low109 Ų109169.6 Ų169.676%0.76287%0.867SS**PPolyproline II helixtrans-75.3121.7168.747.80000109.6E322S320-E322 PolarHBondContact O-N 3.33Å
321F38.3Very low39Very low202 Ų202172.2 Ų172.289%0.88687%0.868SS**PPolyproline II helixtrans-77.5119.3163.6-78.7-87.3000108.8
322E39.1Very low38.9Very low179 Ų179177.8 Ų177.884%0.83688%0.875SS**PPolyproline II helixtrans-99.8123.1-179.8-165.7159.4-150.600108.6S320S320-E322 PolarHBondContact O-N 3.33Å
323N35.5Very low38.5Very low159 Ų159177 Ų17785%0.8587%0.874SS**PPolyproline II helixtrans-71.2131.2-177.4-76-24.6000110.6
324I39.6Very low37.5Very low168 Ų168182.1 Ų182.186%0.86288%0.884SS**PPolyproline II helixtrans-101.9143.4163.9-61.6179.8000108.2
325I49.5Very low37.2Very low239 Ų239188.4 Ų188.4100%1.22690%0.898SS**  trans-76.80-172-57.4168.8000111.1

Retrieved 325 of 325 residues in 74.2 ms (Link to these results)