A0A087XVL3_POEFO Loading...

Large ribosomal subunit protein uL14

AlphaFold DB (Q3T057), UniProt , Accession A0A087XVL3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 140 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
1M43.7Very low61.3Low242 Ų242124.4 Ų124.4100%1.19270%0.701SS**  0125.20-65.2-177.6-151.600109K3M1-K3 PolarHBondContact O-N 3.36Å
2S59.7Low63.2Low113 Ų113122 Ų12279%0.7971%0.708SS**  trans-58.5127.8172163.30000109.7R4S2-R4 PolarHBondContact O-N 3.26Å
3K58.5Low65.3Low203 Ų203117.4 Ų117.488%0.88368%0.675SS**  trans-60102.9172.7-84.9-179.1177.8170.50107.2M1 G5M1-K3 PolarHBondContact O-N 3.36Å; K3-G5 PolarHBondContact O-N 2.81Å
4R53.2Low67.2Low235 Ų235116.8 Ų116.889%0.88766%0.661SS**  trans-50.2110.9174-78.1-177.8173.7170.2-1.7108.1S2 R6S2-R4 PolarHBondContact O-N 3.26Å; R4-R6 PolarHBondContact O-N 3.21Å; R4-R6 VanDerWaalsContact O-N 3.11Å
5G54Low68.8Low70 Ų70124.4 Ų124.472%0.72268%0.675SS**  trans-55.4117.8179.600000109.1K3 G7K3-G5 PolarHBondContact O-N 2.81Å; G5-G7 PolarHBondContact O-N 2.96Å
6R54.6Low70.5Confident243 Ų243117.8 Ų117.892%0.91764%0.638SS**SBendtrans-70.9-8.6-179.1-84.4179.8167.1168-4113.4R4R4-R6 PolarHBondContact O-N 3.21Å; R4-R6 VanDerWaalsContact O-N 3.11Å
7G61.4Low72Confident48 Ų48113.9 Ų113.950%0.49562%0.622SS.*SBendtrans-95.9138.9179.700000111.7G5 S9G5-G7 PolarHBondContact O-N 2.96Å; G7-S9 VanDerWaalsContact C-N 3.25Å; G7-S9 PolarHBondContact O-N 3.31Å
8G65.8Low73.4Confident26 Ų26112.6 Ų112.627%0.26861%0.614SS.*SBendtrans-76.6-6.4177.600000114.7K109 P130G8-K109 WeakPolarHBondContact CA-O 3.32Å; G8-K109 PolarHBondContact N-O 3.32Å; G8-P130 WeakPolarHBondContact O-CD 3.49Å
9S74.1Confident74.6Confident62 Ų62108 Ų10843%0.43460%0.596SS.*  trans-83.9129.5171.861.40000110.7G7 L128G7-S9 VanDerWaalsContact C-N 3.25Å; G7-S9 PolarHBondContact O-N 3.31Å; S9-L128 CarbonylContact C-O 3.57Å; S9-L128 WeakPolarHBondContact CA-O 3.46Å
10S72Confident75.8Confident54 Ų54102.7 Ų102.738%0.37857%0.566SS.*  trans-100116.9176.1-49.30000109L128 P130S10-L128 PolarHBondContact N-O 3.41Å; S10-L128 VanDerWaalsContact O-CD2 3.27Å; S10-L128 WeakPolarHBondContact O-CD2 3.28Å; S10-P130 WeakPolarHBondContact OG-CD 3.48Å; S10-P130 WeakPolarHBondContact OG-CG 3.39Å
11G77.7Confident76.8Confident72 Ų72100.4 Ų100.474%0.74256%0.556SS**SBendtrans78.3-164.3169.700000116.3
12A84.2Confident79.4Confident96 Ų9690.6 Ų90.679%0.79351%0.51SS*.  trans-113.7135.3-175.700000110.8
13K89.7Confident81.2Confident62 Ų6286.8 Ų86.827%0.2749%0.488SS..PPolyproline II helixtrans-76.2132.5179.9178.3175.4162-177.20111.3V57 D59 L128K13-V57 WeakPolarHBondContact CE-O 3.47Å; K13-V57 PolarHBondContact NZ-O 3.11Å; K13-D59 WeakPolarHBondContact CD-OD1 3.19Å; K13-D59 IonicContact NZ-OD1 2.76Å; K13-D59 PolarHBondContact NZ-OD1 3.28Å; K13-D59 IonicContact NZ-OD2 2.76Å; K13-D59 PolarHBondContact NZ-OD2 3.27Å; K13-L128 HydrophobicContact CB-CD1 3.72Å; K13-L128 HydrophobicContact CB-CD2 4.39Å; K13-L128 HydrophobicContact CD-CD1 4.16Å; K13-L128 HydrophobicContact CG-CD1 3.95Å
14F91.6Very high83.1Confident109 Ų10978 Ų7848%0.47845%0.454SS..PPolyproline II helixtrans-69.4142.5168.3-173.6-104.2000110.8I16 K91F14-I16 HydrophobicContact CD1-CG2 4.49Å; F14-I16 PolarHBondContact O-N 3.24Å; F14-K91 HydrophobicContact CD1-CG 4.26Å; F14-K91 HydrophobicContact CD2-CD 4.48Å; F14-K91 VanDerWaalsContact CD2-CE 3.45Å; F14-K91 HydrophobicContact CD2-CG 4.34Å; F14-K91 HydrophobicContact CE1-CG 4.19Å; F14-K91 HydrophobicContact CE2-CG 4.26Å; F14-K91 HydrophobicContact CG-CG 4.33Å; F14-K91 HydrophobicContact CZ-CG 4.19Å
15R92.4Very high85.2Confident231 Ų23170.4 Ų70.487%0.87243%0.433SS*.PPolyproline II helixtrans-68123.5-177.4-173.2176178.6173.7-3.2110.5
16I95Very high87.3Confident18 Ų1867.2 Ų67.29%0.09240%0.4CS..  trans-125.9165.6177.361.5172.5000110.8F14 L18 V57 Y88F14-I16 HydrophobicContact CD1-CG2 4.49Å; F14-I16 PolarHBondContact O-N 3.24Å; I16-L18 PolarHBondContact O-N 3.18Å; I16-V57 HydrophobicContact CD1-CB 3.88Å; I16-Y88 HydrophobicContact CB-CD2 4.23Å; I16-Y88 HydrophobicContact CB-CG 4.4Å; I16-Y88 HydrophobicContact CG2-CD2 3.91Å
17S96.6Very high89.4Confident52 Ų5259 Ų5936%0.36437%0.374SS..  trans-57.1126171.1-56.60000110.5Q84 S87S17-Q84 PolarHBondContact O-NE2 3.3Å; S17-Q84 VanDerWaalsContact O-NE2 3.09Å; S17-S87 WeakPolarHBondContact CB-O 3.5Å; S17-S87 PolarHBondContact OG-O 2.85Å
18L96.6Very high91.2Very high90 Ų9057.6 Ų57.647%0.47136%0.356SS..  trans-87.6110.8176.5-54.2176.1000108.9I16 A54 A55I16-L18 PolarHBondContact O-N 3.18Å; L18-A54 HydrophobicContact CB-CB 3.8Å; L18-A54 HydrophobicContact CD1-CB 4.17Å; L18-A55 CarbonylContact C-O 3.6Å
19G96.5Very high92.7Very high26 Ų2656.7 Ų56.727%0.26835%0.346SS..  trans-98.2-10-176.500000114.9A55G19-A55 PolarHBondContact N-O 3.38Å; G19-A55 VanDerWaalsContact N-O 3.14Å
20L98.1Very high93.7Very high2 Ų254.3 Ų54.31%0.0133%0.329CS..EExtended strand (participates in β ladder)trans-12687.1-167.3-60.2174.4000111.2A24 I26 I39 A54 A55 V81 N101L20-A24 HydrophobicContact CB-CB 4.48Å; L20-A24 HydrophobicContact CD2-CB 4.29Å; L20-I26 HydrophobicContact CD1-CG2 4.08Å; L20-I26 HydrophobicContact CD2-CG2 3.74Å; L20-I39 HydrophobicContact CB-CD1 3.94Å; L20-I39 HydrophobicContact CD1-CD1 4.31Å; L20-A54 CarbonylContact O-C 3.53Å; L20-A54 VanDerWaalsContact O-CA 3.31Å; L20-A54 WeakPolarHBondContact O-CA 3.12Å; L20-A55 HydrophobicContact CB-CB 4.4Å; L20-A55 WeakPolarHBondContact CB-O 3.28Å; L20-A55 PolarHBondContact N-O 3.17Å; L20-A55 PolarHBondContact O-N 3.23Å; L20-V81 HydrophobicContact CD1-CB 4.4Å; L20-V81 HydrophobicContact CD1-CG1 3.55Å; L20-V81 HydrophobicContact CD1-CG2 3.88Å; L20-N101 HydrophobicContact CD2-CB 3.95Å
21P97.8Very high94.8Very high54 Ų5456 Ų5635%0.35133%0.333SS..EExtended strand (participates in β ladder)trans-67.2164.6171.630.6-35000111.4A24 L52 P53 A54P21-A24 WeakPolarHBondContact O-CB 3.43Å; P21-A24 PolarHBondContact O-N 2.79Å; P21-A24 VanDerWaalsContact O-N 3.13Å; P21-L52 HydrophobicContact CB-CB 4.47Å; P21-P53 WeakPolarHBondContact CA-O 3.5Å; P21-A54 HydrophobicContact CB-CB 4.48Å
22V97.7Very high95.7Very high36 Ų3653.4 Ų53.422%0.21830%0.303CS..THydrogen-bonded Turntrans-51.9142.3164.5-64.40000110.5A24 I40 L52 P53V22-A24 VanDerWaalsContact C-N 3.33Å; V22-I40 VanDerWaalsContact CG1-O 3.26Å; V22-I40 WeakPolarHBondContact CG1-O 3.44Å; V22-L52 HydrophobicContact CG2-CB 4.12Å; V22-L52 HydrophobicContact CG2-CD2 3.93Å; V22-L52 HydrophobicContact CG2-CG 4.44Å; V22-P53 HydrophobicContact CG1-CB 4.08Å; V22-P53 HydrophobicContact CG1-CG 4.26Å; V22-P53 PolarHBondContact N-O 2.93Å
23G97.3Very high96.2Very high33 Ų3350 Ų5034%0.3428%0.278SS..THydrogen-bonded Turntrans90.9-14.6-172.400000114.9V25 Y38 I39G23-V25 PolarHBondContact O-N 2.82Å; G23-Y38 WeakPolarHBondContact O-CE2 3.38Å; G23-I39 PolarHBondContact N-O 3.24Å
24A98.3Very high96.6Very high20 Ų2047.4 Ų47.417%0.16527%0.268CS..  trans-64.1136.5174.500000111.5L20 P21 V22 I39L20-A24 HydrophobicContact CB-CB 4.48Å; L20-A24 HydrophobicContact CD2-CB 4.29Å; P21-A24 WeakPolarHBondContact O-CB 3.43Å; P21-A24 PolarHBondContact O-N 2.79Å; P21-A24 VanDerWaalsContact O-N 3.13Å; V22-A24 VanDerWaalsContact C-N 3.33Å; A24-I39 HydrophobicContact CB-CD1 4.35Å; A24-I39 PolarHBondContact O-N 2.82Å
25V98.1Very high96.8Very high74 Ų7449.1 Ų49.145%0.44828%0.275SS..EExtended strand (participates in β ladder)trans-102.6123170.2178.50000108.4G23 N36 L37 Y38G23-V25 PolarHBondContact O-N 2.82Å; V25-N36 HydrophobicContact CG1-CB 3.9Å; V25-L37 CarbonylContact C-O 3.53Å; V25-L37 WeakPolarHBondContact CA-O 3.46Å; V25-Y38 HydrophobicContact CG2-CD2 3.7Å
26I98.2Very high97.1Very high3 Ų339.9 Ų39.92%0.01524%0.243CC..EExtended strand (participates in β ladder)trans-120.3158.5179.368175.7000110.7L20 N36 L37 I39 N101L20-I26 HydrophobicContact CD1-CG2 4.08Å; L20-I26 HydrophobicContact CD2-CG2 3.74Å; I26-N36 WeakPolarHBondContact O-CA 3.45Å; I26-L37 HydrophobicContact CG1-CB 3.85Å; I26-L37 HydrophobicContact CG1-CD1 4.49Å; I26-L37 PolarHBondContact N-O 2.9Å; I26-L37 PolarHBondContact O-N 2.93Å; I26-I39 HydrophobicContact CD1-CD1 4.32Å; I26-I39 HydrophobicContact CG2-CD1 4.4Å; I26-N101 HydrophobicContact CB-CB 4.07Å; I26-N101 WeakPolarHBondContact CB-O 3.34Å; I26-N101 HydrophobicContact CG2-CB 3.61Å
27N98.3Very high97.2Very high71 Ų7139.1 Ų39.138%0.3824%0.239SC..EExtended strand (participates in β ladder)trans-69.9145.7174.9-66.6-25.8000110.3D100 N101 A102 G103N27-D100 PolarHBondContact ND2-OD2 2.99Å; N27-N101 PolarHBondContact N-O 3.02Å; N27-A102 HydrophobicContact CB-CB 4.33Å; N27-A102 CarbonylContact O-C 3.57Å; N27-A102 VanDerWaalsContact O-CA 3.29Å; N27-A102 WeakPolarHBondContact O-CA 3.36Å; N27-G103 PolarHBondContact O-N 3.1Å
28C98Very high97.3Very high19 Ų1940.4 Ų40.413%0.12824%0.236CC..EExtended strand (participates in β ladder)trans-90.4123166-164.20000108.9D30 A34 K35 L37 G103C28-D30 VanDerWaalsContact SG-CG 3.57Å; C28-D30 PolarHBondContact SG-OD1 2.89Å; C28-A34 HydrophobicContact CB-CB 3.98Å; C28-A34 WeakPolarHBondContact CB-O 3.4Å; C28-K35 PolarHBondContact N-O 3.48Å; C28-L37 HydrophobicContact CB-CD1 4.21Å; C28-L37 HydrophobicContact CB-CD2 4.43Å; C28-L37 HydrophobicContact CB-CG 4.01Å; C28-G103 WeakPolarHBondContact CA-O 3.19Å
29A97.6Very high97.4Very high6 Ų636.1 Ų36.15%0.0521%0.214CC..  trans-98.63-178.200000113.5I82 A102 G103 V104 I117 T118A29-I82 HydrophobicContact CB-CD1 3.51Å; A29-A102 HydrophobicContact CB-CB 4.16Å; A29-G103 PolarHBondContact N-O 2.65Å; A29-V104 HydrophobicContact CB-CG1 4.23Å; A29-I117 HydrophobicContact CB-CG2 4.09Å; A29-I117 CarbonylContact O-C 3.47Å; A29-I117 WeakPolarHBondContact O-CA 3.27Å; A29-T118 PolarHBondContact O-N 3.27Å
30D95.6Very high97.4Very high13 Ų1338.5 Ų38.57%0.0722%0.22CC..BIsolated β-bridgetrans-96.6169.7175.869.734.3000112.4C28 T32 V104 I105 A116C28-D30 VanDerWaalsContact SG-CG 3.57Å; C28-D30 PolarHBondContact SG-OD1 2.89Å; D30-T32 VanDerWaalsContact C-N 3.35Å; D30-T32 WeakPolarHBondContact OD1-CB 3.47Å; D30-T32 VanDerWaalsContact OD1-CG2 3.27Å; D30-T32 WeakPolarHBondContact OD1-CG2 3.22Å; D30-T32 PolarHBondContact OD1-N 2.92Å; D30-T32 PolarHBondContact OD1-OG1 2.81Å; D30-T32 WeakPolarHBondContact OD2-CG2 3.42Å; D30-V104 HydrophobicContact CB-CB 4.33Å; D30-V104 HydrophobicContact CB-CG1 3.94Å; D30-I105 WeakPolarHBondContact OD2-CB 3.47Å; D30-I105 PolarHBondContact OD2-N 3.2Å; D30-A116 WeakPolarHBondContact CA-O 3.34Å
31N95.3Very high97.4Very high88 Ų8840.7 Ų40.747%0.47124%0.235SC..SBendtrans-90.920.1176.867.6-23.8000114G33 G114 S115 A116N31-G33 PolarHBondContact O-N 3.26Å; N31-G114 VanDerWaalsContact OD1-CA 3.32Å; N31-G114 WeakPolarHBondContact OD1-CA 3.27Å; N31-S115 PolarHBondContact OD1-N 2.92Å; N31-A116 PolarHBondContact N-O 3.36Å; N31-A116 PolarHBondContact OD1-N 2.55Å
32T95.8Very high97.3Very high19 Ų1938.7 Ų38.712%0.11722%0.222CC..SBendtrans-67-21.9178.161.50000112.8D30 L72 K113 G114D30-T32 VanDerWaalsContact C-N 3.35Å; D30-T32 WeakPolarHBondContact OD1-CB 3.47Å; D30-T32 VanDerWaalsContact OD1-CG2 3.27Å; D30-T32 WeakPolarHBondContact OD1-CG2 3.22Å; D30-T32 PolarHBondContact OD1-N 2.92Å; D30-T32 PolarHBondContact OD1-OG1 2.81Å; D30-T32 WeakPolarHBondContact OD2-CG2 3.42Å; T32-L72 WeakPolarHBondContact O-CD1 3.22Å; T32-K113 HydrophobicContact CG2-CB 3.98Å; T32-K113 HydrophobicContact CG2-CD 4.38Å; T32-K113 HydrophobicContact CG2-CG 4.06Å; T32-G114 VanDerWaalsContact CG2-N 3.34Å
33G95.3Very high97.1Very high25 Ų2543 Ų4326%0.25824%0.238SC..SBendtrans98.45.8-17600000113.9N31 G68 K69N31-G33 PolarHBondContact O-N 3.26Å; G33-G68 CarbonylContact O-C 3.51Å; G33-G68 WeakPolarHBondContact O-CA 3.39Å; G33-K69 PolarHBondContact O-N 2.66Å
34A97.5Very high96.8Very high7 Ų745.4 Ų45.46%0.05826%0.262CS..EExtended strand (participates in β ladder)trans-73.8145160.900000110C28 L37 V65 L72 I105C28-A34 HydrophobicContact CB-CB 3.98Å; C28-A34 WeakPolarHBondContact CB-O 3.4Å; A34-L37 HydrophobicContact CB-CD2 4.32Å; A34-V65 HydrophobicContact CB-CB 4.43Å; A34-V65 HydrophobicContact CB-CG1 3.75Å; A34-V65 HydrophobicContact CB-CG2 3.75Å; A34-L72 HydrophobicContact CB-CD1 4.3Å; A34-I105 HydrophobicContact CB-CD1 3.73Å
35K97.3Very high96.4Very high144 Ų14448 Ų4863%0.62627%0.272SS*.EExtended strand (participates in β ladder)trans-109.4-44.5173.9-64.1-170.6175.6-1720111.5C28 K67C28-K35 PolarHBondContact N-O 3.48Å; K35-K67 HydrophobicContact CB-CB 4.12Å; K35-K67 WeakPolarHBondContact CB-O 3.43Å; K35-K67 PolarHBondContact N-O 3.14Å
36N97.5Very high96.1Very high38 Ų3853.8 Ų53.820%0.20329%0.292CS..EExtended strand (participates in β ladder)trans-128.5129.8-176.8-65.358.8000110.5V25 I26 V65 K66 K67V25-N36 HydrophobicContact CG1-CB 3.9Å; I26-N36 WeakPolarHBondContact O-CA 3.45Å; N36-V65 WeakPolarHBondContact O-CA 3.29Å; N36-K66 HydrophobicContact CB-CB 4.4Å; N36-K66 PolarHBondContact O-N 3.11Å; N36-K67 HydrophobicContact CB-CB 4.31Å; N36-K67 PolarHBondContact N-O 2.96Å
37L98.1Very high95.7Very high2 Ų257.3 Ų57.31%0.0133%0.329CS..EExtended strand (participates in β ladder)trans-105.6126.1175-57.9175.9000109.2V25 I26 C28 A34 A63 V65 A79 I105V25-L37 CarbonylContact C-O 3.53Å; V25-L37 WeakPolarHBondContact CA-O 3.46Å; I26-L37 HydrophobicContact CG1-CB 3.85Å; I26-L37 HydrophobicContact CG1-CD1 4.49Å; I26-L37 PolarHBondContact N-O 2.9Å; I26-L37 PolarHBondContact O-N 2.93Å; C28-L37 HydrophobicContact CB-CD1 4.21Å; C28-L37 HydrophobicContact CB-CD2 4.43Å; C28-L37 HydrophobicContact CB-CG 4.01Å; A34-L37 HydrophobicContact CB-CD2 4.32Å; L37-A63 HydrophobicContact CB-CB 4.14Å; L37-V65 HydrophobicContact CD2-CG2 4.03Å; L37-A79 HydrophobicContact CD1-CB 4.06Å; L37-I105 HydrophobicContact CD1-CG1 4.44Å; L37-I105 HydrophobicContact CD2-CD1 3.96Å; L37-I105 HydrophobicContact CD2-CG1 3.9Å
38Y98.4Very high95.5Very high78 Ų7862.3 Ų62.331%0.30634%0.342SS..EExtended strand (participates in β ladder)trans-102.7118.4173.9175.5-87.3000109.6G23 V25 I40 A63 T64 K66G23-Y38 WeakPolarHBondContact O-CE2 3.38Å; V25-Y38 HydrophobicContact CG2-CD2 3.7Å; Y38-I40 HydrophobicContact CD1-CG1 3.85Å; Y38-I40 HydrophobicContact CE1-CG1 4.07Å; Y38-A63 CarbonylContact O-C 3.51Å; Y38-A63 WeakPolarHBondContact O-CA 3.34Å; Y38-A63 WeakPolarHBondContact O-CB 3.43Å; Y38-T64 PolarHBondContact N-O 2.96Å; Y38-T64 PolarHBondContact O-N 2.73Å; Y38-K66 VanDerWaalsContact CB-CE 3.4Å; Y38-K66 HydrophobicContact CG-CG 4.43Å
39I98.2Very high95.5Very high0 Ų068.5 Ų68.50%037%0.374CS..EExtended strand (participates in β ladder)trans-76.1126.4-176.7-61.1177.9000110.3L20 G23 A24 I26 V61L20-I39 HydrophobicContact CB-CD1 3.94Å; L20-I39 HydrophobicContact CD1-CD1 4.31Å; G23-I39 PolarHBondContact N-O 3.24Å; A24-I39 HydrophobicContact CB-CD1 4.35Å; A24-I39 PolarHBondContact O-N 2.82Å; I26-I39 HydrophobicContact CD1-CD1 4.32Å; I26-I39 HydrophobicContact CG2-CD1 4.4Å; I39-V61 HydrophobicContact CD1-CG1 4.46Å; I39-V61 HydrophobicContact CD1-CG2 4.48Å; I39-V61 HydrophobicContact CG1-CG2 4.23Å; I39-V61 HydrophobicContact CG2-CB 4.16Å; I39-V61 HydrophobicContact CG2-CG1 4.29Å
40I97.4Very high95.4Very high76 Ų7675.7 Ų75.739%0.3941%0.411SS..EExtended strand (participates in β ladder)trans-106.6-41-179.5-59.4172.9000110.8V22 Y38 M62 T64 V76V22-I40 VanDerWaalsContact CG1-O 3.26Å; V22-I40 WeakPolarHBondContact CG1-O 3.44Å; Y38-I40 HydrophobicContact CD1-CG1 3.85Å; Y38-I40 HydrophobicContact CE1-CG1 4.07Å; I40-M62 PolarHBondContact N-O 2.83Å; I40-T64 HydrophobicContact CD1-CG2 3.37Å; I40-V76 HydrophobicContact CD1-CG2 4.41Å
41S96.7Very high95.5Very high48 Ų4882.6 Ų82.634%0.33644%0.436SS..EExtended strand (participates in β ladder)trans-153.2164.5178.369.40000111.3V61 M62S41-V61 CarbonylContact O-C 3.56Å; S41-V61 WeakPolarHBondContact O-CA 3.3Å; S41-V61 WeakPolarHBondContact O-CB 3.37Å; S41-M62 PolarHBondContact N-O 2.77Å; S41-M62 PolarHBondContact O-N 2.93Å; S41-M62 WeakPolarHBondContact OG-CB 3.09Å; S41-M62 WeakPolarHBondContact OG-CG 3.13Å
42V96.5Very high95.5Very high13 Ų1384 Ų848%0.07944%0.443CS..EExtended strand (participates in β ladder)trans-118.2129.7178.8-172.50000108.5I45 P53 A55 D59 V61V42-I45 HydrophobicContact CB-CD1 3.82Å; V42-I45 HydrophobicContact CB-CG1 4.15Å; V42-I45 HydrophobicContact CG1-CD1 3.58Å; V42-I45 HydrophobicContact CG1-CG1 3.89Å; V42-I45 HydrophobicContact CG2-CD1 4.47Å; V42-P53 HydrophobicContact CB-CB 4.39Å; V42-P53 HydrophobicContact CG2-CB 4.17Å; V42-A55 HydrophobicContact CG1-CB 4.02Å; V42-A55 HydrophobicContact CG2-CB 3.92Å; V42-D59 HydrophobicContact CG1-CB 4.39Å; V42-V61 HydrophobicContact CG1-CG1 4.3Å; V42-V61 HydrophobicContact CG2-CG1 4.14Å
43K93.6Very high95.6Very high127 Ų12785.2 Ų85.255%0.55245%0.451SS*.THydrogen-bonded Turntrans-73140.6-178.1-167.7175.9-178.2178.40110.3I45 M60K43-I45 VanDerWaalsContact C-N 3.33Å; K43-I45 PolarHBondContact O-N 3.11Å; K43-M60 HydrophobicContact CB-CB 4.23Å; K43-M60 HydrophobicContact CB-CG 4.4Å; K43-M60 VanDerWaalsContact CB-O 3.28Å; K43-M60 WeakPolarHBondContact CB-O 3.19Å; K43-M60 HydrophobicContact CD-CB 4.32Å; K43-M60 HydrophobicContact CD-CG 4.07Å; K43-M60 HydrophobicContact CD-SD 3.45Å; K43-M60 WeakPolarHBondContact CD-SD 3.4Å; K43-M60 PolarHBondContact N-O 3.41Å
44G90.5Very high95.7Very high82 Ų8284.8 Ų84.885%0.84545%0.445SS*.THydrogen-bonded Turntrans78.98.9174.100000115.5
45I90Very high95.7Very high74 Ų7484.5 Ų84.538%0.37944%0.443SS..PPolyproline II helixtrans-96.1130.4176.1-64.2-162.5000110.6V42 K43 P53 A54V42-I45 HydrophobicContact CB-CD1 3.82Å; V42-I45 HydrophobicContact CB-CG1 4.15Å; V42-I45 HydrophobicContact CG1-CD1 3.58Å; V42-I45 HydrophobicContact CG1-CG1 3.89Å; V42-I45 HydrophobicContact CG2-CD1 4.47Å; K43-I45 VanDerWaalsContact C-N 3.33Å; K43-I45 PolarHBondContact O-N 3.11Å; I45-P53 HydrophobicContact CG2-CB 4.34Å; I45-A54 WeakPolarHBondContact CD1-O 3.17Å
46K91.7Very high95.7Very high197 Ų19777.6 Ų77.686%0.85741%0.413SS*.PPolyproline II helixtrans-76.3136.8169.3-65.5-175.2179.6-1770109.9
47G90.7Very high95.7Very high77 Ų7775.8 Ų75.879%0.79440%0.403SS*.PPolyproline II helixtrans-63.9149.617400000112.1
48R94.7Very high95.5Very high175 Ų17575.9 Ų75.966%0.6640%0.404SS*.  trans-142.9141.8169.4-179.9162.2-178.11591.1108.9N50 R51R48-N50 PolarHBondContact O-N 2.92Å; R48-R51 HydrophobicContact CB-CB 4.04Å; R48-R51 HydrophobicContact CG-CB 4.42Å; R48-R51 PolarHBondContact O-N 3.24Å
49L96.7Very high95.4Very high150 Ų15073.7 Ų73.779%0.78540%0.398SS*.THydrogen-bonded Turntrans-50.1127.1-179.5-176.463.6000110.6R51L49-R51 PolarHBondContact O-N 3.46Å; L49-R51 VanDerWaalsContact O-N 3.09Å
50N95.9Very high95.3Very high157 Ų15774.3 Ų74.384%0.8440%0.401SS*.THydrogen-bonded Turntrans56.420.6178.6-56.6-26.8000115.6R48R48-N50 PolarHBondContact O-N 2.92Å
51R96.8Very high95.3Very high158 Ų15870.7 Ų70.760%0.59638%0.383SS*.  trans-109119.4175.8-173.6173.3-65.1-160.8-2.7110.7R48 L49R48-R51 HydrophobicContact CB-CB 4.04Å; R48-R51 HydrophobicContact CG-CB 4.42Å; R48-R51 PolarHBondContact O-N 3.24Å; L49-R51 PolarHBondContact O-N 3.46Å; L49-R51 VanDerWaalsContact O-N 3.09Å
52L96.7Very high95.3Very high117 Ų11770.9 Ų70.961%0.61338%0.379SS*.  trans-66.8128.3171.1-61.3-178.1000110P21 V22P21-L52 HydrophobicContact CB-CB 4.47Å; V22-L52 HydrophobicContact CG2-CB 4.12Å; V22-L52 HydrophobicContact CG2-CD2 3.93Å; V22-L52 HydrophobicContact CG2-CG 4.44Å
53P96.8Very high95.4Very high44 Ų4470.3 Ų70.329%0.28638%0.375SS..  trans-58.5139.3167.1-20.432.1000109.6P21 V22 V42 I45P21-P53 WeakPolarHBondContact CA-O 3.5Å; V22-P53 HydrophobicContact CG1-CB 4.08Å; V22-P53 HydrophobicContact CG1-CG 4.26Å; V22-P53 PolarHBondContact N-O 2.93Å; V42-P53 HydrophobicContact CB-CB 4.39Å; V42-P53 HydrophobicContact CG2-CB 4.17Å; I45-P53 HydrophobicContact CG2-CB 4.34Å
54A97.5Very high95.6Very high17 Ų1765.2 Ų65.214%0.1436%0.355CS..EExtended strand (participates in β ladder)trans-137148.3-179.500000110.8L18 L20 P21 I45L18-A54 HydrophobicContact CB-CB 3.8Å; L18-A54 HydrophobicContact CD1-CB 4.17Å; L20-A54 CarbonylContact O-C 3.53Å; L20-A54 VanDerWaalsContact O-CA 3.31Å; L20-A54 WeakPolarHBondContact O-CA 3.12Å; P21-A54 HydrophobicContact CB-CB 4.48Å; I45-A54 WeakPolarHBondContact CD1-O 3.17Å
55A97.6Very high96Very high0 Ų061.5 Ų61.50%032%0.316CS..EExtended strand (participates in β ladder)trans-114.9156.5179.500000110.6L18 G19 L20 V42 D59 V61 V81L18-A55 CarbonylContact C-O 3.6Å; G19-A55 PolarHBondContact N-O 3.38Å; G19-A55 VanDerWaalsContact N-O 3.14Å; L20-A55 HydrophobicContact CB-CB 4.4Å; L20-A55 WeakPolarHBondContact CB-O 3.28Å; L20-A55 PolarHBondContact N-O 3.17Å; L20-A55 PolarHBondContact O-N 3.23Å; V42-A55 HydrophobicContact CG1-CB 4.02Å; V42-A55 HydrophobicContact CG2-CB 3.92Å; A55-D59 WeakPolarHBondContact CA-OD2 3.48Å; A55-D59 HydrophobicContact CB-CB 3.98Å; A55-V61 HydrophobicContact CB-CG1 3.55Å; A55-V81 HydrophobicContact CB-CG2 4.26Å
56G97Very high96.3Very high0 Ų063 Ų630%032%0.319CS..  trans-128.5-175160.900000110.5G58 D59G56-G58 PolarHBondContact O-N 2.99Å; G56-D59 PolarHBondContact N-OD2 2.98Å; G56-D59 WeakPolarHBondContact O-CB 3.48Å; G56-D59 PolarHBondContact O-N 3.39Å; G56-D59 VanDerWaalsContact O-N 3.12Å
57V97.1Very high96.5Very high0 Ų060 Ų600%031%0.307CS..THydrogen-bonded Turntrans-46134.4174.6168.50000112.2K13 I16 D59 Q84 Y88 A122 E124 C125K13-V57 WeakPolarHBondContact CE-O 3.47Å; K13-V57 PolarHBondContact NZ-O 3.11Å; I16-V57 HydrophobicContact CD1-CB 3.88Å; V57-D59 VanDerWaalsContact C-N 3.29Å; V57-D59 PolarHBondContact O-N 2.92Å; V57-Q84 HydrophobicContact CG2-CB 3.93Å; V57-Q84 HydrophobicContact CG2-CG 3.62Å; V57-Y88 HydrophobicContact CG2-CE1 4.22Å; V57-A122 HydrophobicContact CB-CB 4.44Å; V57-A122 HydrophobicContact CG1-CB 3.36Å; V57-A122 HydrophobicContact CG2-CB 4.24Å; V57-E124 HydrophobicContact CG1-CB 4.01Å; V57-C125 HydrophobicContact CG1-CB 3.93Å
58G95.8Very high96.8Very high3 Ų357.6 Ų57.63%0.03128%0.282CS..THydrogen-bonded Turntrans83.3-10.1179.300000115.2G56 V81 W129G56-G58 PolarHBondContact O-N 2.99Å; G58-V81 PolarHBondContact N-O 2.85Å; G58-W129 PolarHBondContact O-NE1 2.76Å
59D96Very high96.8Very high32 Ų3254.7 Ų54.717%0.17127%0.274CS..  trans-76.3142.7176.2-66.5-30.1000111.6K13 V42 A55 G56 V57 V80 V81K13-D59 WeakPolarHBondContact CD-OD1 3.19Å; K13-D59 IonicContact NZ-OD1 2.76Å; K13-D59 PolarHBondContact NZ-OD1 3.28Å; K13-D59 IonicContact NZ-OD2 2.76Å; K13-D59 PolarHBondContact NZ-OD2 3.27Å; V42-D59 HydrophobicContact CG1-CB 4.39Å; A55-D59 WeakPolarHBondContact CA-OD2 3.48Å; A55-D59 HydrophobicContact CB-CB 3.98Å; G56-D59 PolarHBondContact N-OD2 2.98Å; G56-D59 WeakPolarHBondContact O-CB 3.48Å; G56-D59 PolarHBondContact O-N 3.39Å; G56-D59 VanDerWaalsContact O-N 3.12Å; V57-D59 VanDerWaalsContact C-N 3.29Å; V57-D59 PolarHBondContact O-N 2.92Å; D59-V80 WeakPolarHBondContact O-CA 3.45Å; D59-V81 PolarHBondContact O-N 3.01Å; D59-V81 VanDerWaalsContact O-N 3.1Å
60M95.5Very high96.8Very high13 Ų1352.9 Ų52.96%0.06427%0.271CS..EExtended strand (participates in β ladder)trans-86127168.4-177.7176.8-82.100109.7K43 A79 V80 V106 W129K43-M60 HydrophobicContact CB-CB 4.23Å; K43-M60 HydrophobicContact CB-CG 4.4Å; K43-M60 VanDerWaalsContact CB-O 3.28Å; K43-M60 WeakPolarHBondContact CB-O 3.19Å; K43-M60 HydrophobicContact CD-CB 4.32Å; K43-M60 HydrophobicContact CD-CG 4.07Å; K43-M60 HydrophobicContact CD-SD 3.45Å; K43-M60 WeakPolarHBondContact CD-SD 3.4Å; K43-M60 PolarHBondContact N-O 3.41Å; M60-A79 CarbonylContact C-O 3.57Å; M60-A79 WeakPolarHBondContact CA-O 3.47Å; M60-V80 HydrophobicContact CB-CG2 4.46Å; M60-V80 HydrophobicContact CE-CG2 4.37Å; M60-V106 HydrophobicContact CE-CG2 3.72Å; M60-W129 HydrophobicContact CB-CH2 4.39Å; M60-W129 HydrophobicContact CB-CZ2 4.16Å; M60-W129 HydrophobicContact CE-CH2 3.4Å; M60-W129 HydrophobicContact CE-CZ2 4.18Å; M60-W129 HydrophobicContact CE-CZ3 3.87Å; M60-W129 HydrophobicContact SD-CH2 4.49Å
61V97.3Very high96.8Very high1 Ų152.6 Ų52.61%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-120.1155.7179-60.60000110.3I39 S41 V42 A55 P78 A79 V81I39-V61 HydrophobicContact CD1-CG1 4.46Å; I39-V61 HydrophobicContact CD1-CG2 4.48Å; I39-V61 HydrophobicContact CG1-CG2 4.23Å; I39-V61 HydrophobicContact CG2-CB 4.16Å; I39-V61 HydrophobicContact CG2-CG1 4.29Å; S41-V61 CarbonylContact O-C 3.56Å; S41-V61 WeakPolarHBondContact O-CA 3.3Å; S41-V61 WeakPolarHBondContact O-CB 3.37Å; V42-V61 HydrophobicContact CG1-CG1 4.3Å; V42-V61 HydrophobicContact CG2-CG1 4.14Å; A55-V61 HydrophobicContact CB-CG1 3.55Å; V61-P78 CarbonylContact O-C 3.52Å; V61-P78 WeakPolarHBondContact O-CA 3.16Å; V61-A79 HydrophobicContact CG2-CB 4.04Å; V61-A79 PolarHBondContact N-O 3.43Å; V61-A79 PolarHBondContact O-N 2.85Å; V61-V81 HydrophobicContact CG1-CG2 4.19Å; V61-V81 HydrophobicContact CG2-CG2 4.49Å
62M97.3Very high96.7Very high51 Ų5145.6 Ų45.625%0.25124%0.239SC..EExtended strand (participates in β ladder)trans-95.3127.2165.3-57.6-55.7-57.800108.3I40 S41 V76 P78I40-M62 PolarHBondContact N-O 2.83Å; S41-M62 PolarHBondContact N-O 2.77Å; S41-M62 PolarHBondContact O-N 2.93Å; S41-M62 WeakPolarHBondContact OG-CB 3.09Å; S41-M62 WeakPolarHBondContact OG-CG 3.13Å; M62-V76 HydrophobicContact CB-CG1 4.18Å; M62-V76 HydrophobicContact CE-CG1 3.58Å; M62-P78 HydrophobicContact CE-CB 4.46Å; M62-P78 HydrophobicContact CE-CG 3.97Å; M62-P78 HydrophobicContact SD-CB 4.2Å; M62-P78 HydrophobicContact SD-CG 4.21Å
63A98Very high96.7Very high1 Ų145.7 Ų45.71%0.00823%0.231CC..EExtended strand (participates in β ladder)trans-133.5156.2-175.600000112.7L37 Y38 H77 A79L37-A63 HydrophobicContact CB-CB 4.14Å; Y38-A63 CarbonylContact O-C 3.51Å; Y38-A63 WeakPolarHBondContact O-CA 3.34Å; Y38-A63 WeakPolarHBondContact O-CB 3.43Å; A63-H77 PolarHBondContact N-O 2.71Å; A63-H77 PolarHBondContact O-N 3.03Å; A63-H77 VanDerWaalsContact O-O 3.13Å; A63-A79 HydrophobicContact CB-CB 4.39Å
64T98Very high96.6Very high21 Ų2153.1 Ų53.113%0.12926%0.259CS..EExtended strand (participates in β ladder)trans-111.6146.2166.847.60000110.6Y38 I40 K66 K75 V76Y38-T64 PolarHBondContact N-O 2.96Å; Y38-T64 PolarHBondContact O-N 2.73Å; I40-T64 HydrophobicContact CD1-CG2 3.37Å; T64-K66 PolarHBondContact O-N 3Å; T64-K75 WeakPolarHBondContact CG2-O 3.44Å; T64-V76 HydrophobicContact CG2-CG2 4.06Å
65V98Very high96.5Very high4 Ų457.9 Ų57.92%0.02428%0.277CS..EExtended strand (participates in β ladder)trans-81.4115.2174.5-1780000109.3A34 N36 L37 K67 L72 R73 I105A34-V65 HydrophobicContact CB-CB 4.43Å; A34-V65 HydrophobicContact CB-CG1 3.75Å; A34-V65 HydrophobicContact CB-CG2 3.75Å; N36-V65 WeakPolarHBondContact O-CA 3.29Å; L37-V65 HydrophobicContact CD2-CG2 4.03Å; V65-K67 WeakPolarHBondContact CG1-O 3.5Å; V65-L72 HydrophobicContact CB-CB 4.39Å; V65-L72 HydrophobicContact CG1-CB 4.5Å; V65-L72 HydrophobicContact CG2-CB 4.1Å; V65-R73 HydrophobicContact CB-CG 4.49Å; V65-R73 HydrophobicContact CG1-CG 4.15Å; V65-I105 HydrophobicContact CG2-CD1 4.07Å
66K96.5Very high96.5Very high104 Ų10462.1 Ų62.145%0.45230%0.302SS..EExtended strand (participates in β ladder)trans-84-45177.5-67.3-66.9-178.81770111.8N36 Y38 T64 R73N36-K66 HydrophobicContact CB-CB 4.4Å; N36-K66 PolarHBondContact O-N 3.11Å; Y38-K66 VanDerWaalsContact CB-CE 3.4Å; Y38-K66 HydrophobicContact CG-CG 4.43Å; T64-K66 PolarHBondContact O-N 3Å; K66-R73 PolarHBondContact O-NE 3.25Å; K66-R73 VanDerWaalsContact O-NE 3.11Å
67K96.8Very high96.4Very high135 Ų13563.3 Ų63.359%0.58731%0.308SS*.EExtended strand (participates in β ladder)trans-124.8136.2176.8-64.6-177.3179.5-179.60109K35 N36 V65K35-K67 HydrophobicContact CB-CB 4.12Å; K35-K67 WeakPolarHBondContact CB-O 3.43Å; K35-K67 PolarHBondContact N-O 3.14Å; N36-K67 HydrophobicContact CB-CB 4.31Å; N36-K67 PolarHBondContact N-O 2.96Å; V65-K67 WeakPolarHBondContact CG1-O 3.5Å
68G95.8Very high96.4Very high26 Ų2663.9 Ų63.927%0.26831%0.311SS..EExtended strand (participates in β ladder)trans148.8-169.8-176.800000112.6G33G33-G68 CarbonylContact O-C 3.51Å; G33-G68 WeakPolarHBondContact O-CA 3.39Å
69K96.3Very high96.5Very high114 Ų11463.7 Ų63.750%0.49631%0.31SS..  trans-51.7135.9175.8-71.8-178.8178.5174.70111.5G33 E71 L72 R73G33-K69 PolarHBondContact O-N 2.66Å; K69-E71 PolarHBondContact O-N 2.93Å; K69-E71 VanDerWaalsContact O-N 3.17Å; K69-L72 HydrophobicContact CB-CD1 4.35Å; K69-L72 HydrophobicContact CB-CG 4.47Å; K69-L72 PolarHBondContact O-N 3.38Å; K69-L72 VanDerWaalsContact O-N 3.11Å; K69-R73 PolarHBondContact O-N 3.15Å
70P96.4Very high96.6Very high113 Ų11362.2 Ų62.273%0.73430%0.302SS*.G310 helixtrans-53.1-38.1-178.5-28.135.3000114L72 R73P70-L72 VanDerWaalsContact C-N 3.25Å; P70-L72 PolarHBondContact O-N 2.96Å; P70-R73 PolarHBondContact O-N 2.9Å
71E96.1Very high96.7Very high150 Ų15061.6 Ų61.670%0.70130%0.299SS*.G310 helixtrans-62.5-27.2-178.6-63.7172.5-165.100114.7K69 K75K69-E71 PolarHBondContact O-N 2.93Å; K69-E71 VanDerWaalsContact O-N 3.17Å; E71-K75 WeakPolarHBondContact O-CD 3.45Å; E71-K75 WeakPolarHBondContact O-CE 3.33Å; E71-K75 PolarHBondContact O-NZ 2.88Å
72L95.1Very high96.7Very high12 Ų1261.5 Ų61.56%0.06330%0.298CS..G310 helixtrans-90.6-23.9-179.1-64175.8000112.4T32 A34 V65 K69 P70 H77T32-L72 WeakPolarHBondContact O-CD1 3.22Å; A34-L72 HydrophobicContact CB-CD1 4.3Å; V65-L72 HydrophobicContact CB-CB 4.39Å; V65-L72 HydrophobicContact CG1-CB 4.5Å; V65-L72 HydrophobicContact CG2-CB 4.1Å; K69-L72 HydrophobicContact CB-CD1 4.35Å; K69-L72 HydrophobicContact CB-CG 4.47Å; K69-L72 PolarHBondContact O-N 3.38Å; K69-L72 VanDerWaalsContact O-N 3.11Å; P70-L72 VanDerWaalsContact C-N 3.25Å; P70-L72 PolarHBondContact O-N 2.96Å; L72-H77 PolarHBondContact O-NE2 2.85Å
73R95.4Very high96.7Very high118 Ų11860.5 Ų60.545%0.44529%0.292SS..BIsolated β-bridgetrans-70.1157.1-178.3-66.817968.5-165.8-2.7110.9V65 K66 K69 P70 K75V65-R73 HydrophobicContact CB-CG 4.49Å; V65-R73 HydrophobicContact CG1-CG 4.15Å; K66-R73 PolarHBondContact O-NE 3.25Å; K66-R73 VanDerWaalsContact O-NE 3.11Å; K69-R73 PolarHBondContact O-N 3.15Å; P70-R73 PolarHBondContact O-N 2.9Å; R73-K75 PolarHBondContact O-N 2.9Å
74K94.6Very high96.7Very high201 Ų20160.5 Ų60.587%0.87429%0.291SS*.THydrogen-bonded Turntrans58.613.9178.9-53.5-179.7179.3-1790114.8
75K96.4Very high96.7Very high117 Ų11767 Ų6751%0.50931%0.314SS..SBendtrans-116.2149173.5-67.7175.6-174.6165.70109.7T64 E71 R73 H77T64-K75 WeakPolarHBondContact CG2-O 3.44Å; E71-K75 WeakPolarHBondContact O-CD 3.45Å; E71-K75 WeakPolarHBondContact O-CE 3.33Å; E71-K75 PolarHBondContact O-NZ 2.88Å; R73-K75 PolarHBondContact O-N 2.9Å; K75-H77 WeakPolarHBondContact CB-NE2 3.37Å; K75-H77 PolarHBondContact O-CD2 3.39Å
76V96.8Very high96.7Very high88 Ų8872.6 Ų72.653%0.53334%0.338SS..EExtended strand (participates in β ladder)trans-90.2125.1176.1-177.50000108.5I40 M62 T64I40-V76 HydrophobicContact CD1-CG2 4.41Å; M62-V76 HydrophobicContact CB-CG1 4.18Å; M62-V76 HydrophobicContact CE-CG1 3.58Å; T64-V76 HydrophobicContact CG2-CG2 4.06Å
77H96.3Very high96.8Very high26 Ų2669.9 Ų69.912%0.1233%0.332CS..EExtended strand (participates in β ladder)trans-125.4140.3178-55.5-83.6000109.8A63 L72 K75 I105A63-H77 PolarHBondContact N-O 2.71Å; A63-H77 PolarHBondContact O-N 3.03Å; A63-H77 VanDerWaalsContact O-O 3.13Å; L72-H77 PolarHBondContact O-NE2 2.85Å; K75-H77 WeakPolarHBondContact CB-NE2 3.37Å; K75-H77 PolarHBondContact O-CD2 3.39Å; H77-I105 HydrophobicContact CB-CG2 3.99Å
78P96.9Very high96.8Very high11 Ų1163.4 Ų63.47%0.07130%0.304CS..EExtended strand (participates in β ladder)trans-63.4143.2163.9-15.128.3000110.6V61 M62 V106 N108V61-P78 CarbonylContact O-C 3.52Å; V61-P78 WeakPolarHBondContact O-CA 3.16Å; M62-P78 HydrophobicContact CE-CB 4.46Å; M62-P78 HydrophobicContact CE-CG 3.97Å; M62-P78 HydrophobicContact SD-CB 4.2Å; M62-P78 HydrophobicContact SD-CG 4.21Å; P78-V106 HydrophobicContact CB-CG2 3.89Å; P78-V106 PolarHBondContact O-N 3.3Å; P78-V106 VanDerWaalsContact O-O 3.09Å; P78-N108 WeakPolarHBondContact CG-OD1 3.34Å
79A97.6Very high96.8Very high0 Ų069.3 Ų69.30%032%0.318CS..EExtended strand (participates in β ladder)trans-141.9155.8173.500000110.4L37 M60 V61 A63 V104L37-A79 HydrophobicContact CD1-CB 4.06Å; M60-A79 CarbonylContact C-O 3.57Å; M60-A79 WeakPolarHBondContact CA-O 3.47Å; V61-A79 HydrophobicContact CG2-CB 4.04Å; V61-A79 PolarHBondContact N-O 3.43Å; V61-A79 PolarHBondContact O-N 2.85Å; A63-A79 HydrophobicContact CB-CB 4.39Å; A79-V104 CarbonylContact C-O 3.52Å; A79-V104 WeakPolarHBondContact CA-O 3.41Å; A79-V104 WeakPolarHBondContact CB-O 3.38Å
80V97.1Very high96.8Very high0 Ų065.8 Ų65.80%030%0.301CS..EExtended strand (participates in β ladder)trans-113.7135.2173.4174.20000109.1D59 M60 G103 V104 V106 W129 I132D59-V80 WeakPolarHBondContact O-CA 3.45Å; M60-V80 HydrophobicContact CB-CG2 4.46Å; M60-V80 HydrophobicContact CE-CG2 4.37Å; V80-G103 CarbonylContact O-C 3.54Å; V80-G103 WeakPolarHBondContact O-CA 3.45Å; V80-V104 HydrophobicContact CB-CG2 4.4Å; V80-V104 PolarHBondContact N-O 2.82Å; V80-V104 PolarHBondContact O-N 2.78Å; V80-V106 HydrophobicContact CB-CG1 4.45Å; V80-V106 HydrophobicContact CG2-CG1 3.96Å; V80-V106 HydrophobicContact CG2-CG2 3.99Å; V80-W129 HydrophobicContact CG1-CG 4.3Å; V80-W129 HydrophobicContact CG2-CD2 4.16Å; V80-W129 HydrophobicContact CG2-CH2 4.46Å; V80-W129 HydrophobicContact CG2-CZ2 3.96Å; V80-I132 HydrophobicContact CB-CD1 3.72Å; V80-I132 HydrophobicContact CG1-CD1 3.74Å; V80-I132 HydrophobicContact CG2-CD1 4.05Å
81V97.8Very high96.6Very high0 Ų068.4 Ų68.40%030%0.301CS..EExtended strand (participates in β ladder)trans-76.9123175-1790000109.4L20 A55 G58 D59 V61L20-V81 HydrophobicContact CD1-CB 4.4Å; L20-V81 HydrophobicContact CD1-CG1 3.55Å; L20-V81 HydrophobicContact CD1-CG2 3.88Å; A55-V81 HydrophobicContact CB-CG2 4.26Å; G58-V81 PolarHBondContact N-O 2.85Å; D59-V81 PolarHBondContact O-N 3.01Å; D59-V81 VanDerWaalsContact O-N 3.1Å; V61-V81 HydrophobicContact CG1-CG2 4.19Å; V61-V81 HydrophobicContact CG2-CG2 4.49Å
82I97.6Very high96.5Very high0 Ų066.9 Ų66.90%030%0.298CS..EExtended strand (participates in β ladder)trans-107.9-25.1-177.859.6156.7000113.6A29 A102 V104 I117 V121 A122 I132A29-I82 HydrophobicContact CB-CD1 3.51Å; I82-A102 HydrophobicContact CD1-CB 4.26Å; I82-A102 HydrophobicContact CG1-CB 4.05Å; I82-A102 VanDerWaalsContact CG1-O 3.3Å; I82-A102 WeakPolarHBondContact CG1-O 3.43Å; I82-A102 PolarHBondContact N-O 3.02Å; I82-V104 HydrophobicContact CD1-CG1 4.34Å; I82-V104 HydrophobicContact CG2-CG1 4.43Å; I82-V104 HydrophobicContact CG2-CG2 3.68Å; I82-I117 HydrophobicContact CD1-CG2 3.82Å; I82-V121 HydrophobicContact CB-CG1 4.19Å; I82-V121 HydrophobicContact CB-CG2 4.35Å; I82-V121 HydrophobicContact CD1-CG2 4.11Å; I82-V121 HydrophobicContact CG2-CG1 4.31Å; I82-A122 VanDerWaalsContact O-CB 3.32Å; I82-A122 WeakPolarHBondContact O-CB 3.34Å; I82-A122 PolarHBondContact O-N 3.42Å; I82-A122 VanDerWaalsContact O-N 3.11Å; I82-I132 HydrophobicContact CG2-CG2 4.08Å
83R97.9Very high96.5Very high30 Ų3067.5 Ų67.511%0.11331%0.308CS..EExtended strand (participates in β ladder)trans-141.8142.8-177.7-70.1-175.2-93161.7-8.6110.1F98 D100 A102 T118 P120R83-F98 HydrophobicContact CB-CB 3.96Å; R83-F98 HydrophobicContact CB-CD1 4.18Å; R83-F98 HydrophobicContact CB-CD2 4.26Å; R83-F98 HydrophobicContact CB-CG 3.86Å; R83-F98 HydrophobicContact CG-CB 4.28Å; R83-F98 HydrophobicContact CG-CD1 3.59Å; R83-F98 HydrophobicContact CG-CD2 4.36Å; R83-F98 HydrophobicContact CG-CE1 3.97Å; R83-F98 HydrophobicContact CG-CG 3.8Å; R83-D100 IonicContact CZ-OD1 3.45Å; R83-D100 IonicContact NE-OD1 3.84Å; R83-D100 IonicContact NH1-OD1 2.65Å; R83-D100 PolarHBondContact NH1-OD1 2.86Å; R83-D100 IonicContact NH1-OD2 3.5Å; R83-A102 HydrophobicContact CB-CB 4.13Å; R83-A102 PolarHBondContact N-O 3.06Å; R83-A102 PolarHBondContact O-N 2.8Å; R83-A102 VanDerWaalsContact O-N 3.15Å; R83-T118 PolarHBondContact NH2-O 2.74Å; R83-P120 WeakPolarHBondContact CD-O 3.34Å; R83-P120 WeakPolarHBondContact CG-O 3.47Å; R83-P120 PolarHBondContact NE-O 3.22Å
84Q97.6Very high96.5Very high0 Ų065.8 Ų65.80%031%0.31CS..  trans-137.7139.4173.474.8179.839.500112S17 V57 K86 Y88 F98 N101S17-Q84 PolarHBondContact O-NE2 3.3Å; S17-Q84 VanDerWaalsContact O-NE2 3.09Å; V57-Q84 HydrophobicContact CG2-CB 3.93Å; V57-Q84 HydrophobicContact CG2-CG 3.62Å; Q84-K86 WeakPolarHBondContact CG-O 3.45Å; Q84-K86 PolarHBondContact NE2-O 3.39Å; Q84-Y88 HydrophobicContact CG-CD1 3.77Å; Q84-Y88 HydrophobicContact CG-CE1 3.84Å; Q84-F98 PolarHBondContact O-N 2.93Å; Q84-N101 WeakPolarHBondContact CA-OD1 3.47Å
85R98Very high96.6Very high158 Ų15862.4 Ų62.460%0.59630%0.295SS*.SBendtrans-72.5-30.1172.7-68.2-172.3114.9-179.39.7113.3S87 Y97 F98 E99 N101R85-S87 PolarHBondContact O-N 2.98Å; R85-Y97 WeakPolarHBondContact O-CB 3.4Å; R85-F98 WeakPolarHBondContact CA-O 3.41Å; R85-E99 VanDerWaalsContact CZ-O 3.29Å; R85-E99 PolarHBondContact NE-O 2.92Å; R85-E99 PolarHBondContact NH2-O 3.1Å; R85-E99 VanDerWaalsContact NH2-O 3.14Å; R85-N101 PolarHBondContact N-OD1 2.91Å
86K98.1Very high96.6Very high121 Ų12158.7 Ų58.753%0.52628%0.281SS..SBendtrans-69.4123.4-179.5-177.361175.1179.90109.1Q84 Y88Q84-K86 WeakPolarHBondContact CG-O 3.45Å; Q84-K86 PolarHBondContact NE2-O 3.39Å; K86-Y88 PolarHBondContact O-N 3.19Å
87S97.8Very high96.6Very high47 Ų4762.3 Ų62.333%0.32929%0.286SS..  trans-57.1140.2176.862.60000112.2S17 R85 L96S17-S87 WeakPolarHBondContact CB-O 3.5Å; S17-S87 PolarHBondContact OG-O 2.85Å; R85-S87 PolarHBondContact O-N 2.98Å; S87-L96 WeakPolarHBondContact CA-O 3.21Å
88Y97.2Very high96.7Very high0 Ų061.9 Ų61.90%028%0.284CS..EExtended strand (participates in β ladder)trans-138.115017464-83.4000110.7I16 V57 Q84 K86 F95 L96 F98 A122 E124I16-Y88 HydrophobicContact CB-CD2 4.23Å; I16-Y88 HydrophobicContact CB-CG 4.4Å; I16-Y88 HydrophobicContact CG2-CD2 3.91Å; V57-Y88 HydrophobicContact CG2-CE1 4.22Å; Q84-Y88 HydrophobicContact CG-CD1 3.77Å; Q84-Y88 HydrophobicContact CG-CE1 3.84Å; K86-Y88 PolarHBondContact O-N 3.19Å; Y88-F95 WeakPolarHBondContact O-CA 3.35Å; Y88-L96 WeakPolarHBondContact CD1-O 3.32Å; Y88-L96 PolarHBondContact N-O 2.81Å; Y88-L96 PolarHBondContact O-N 3.5Å; Y88-F98 HydrophobicContact CE1-CE2 4.44Å; Y88-A122 WeakPolarHBondContact OH-CB 3.21Å; Y88-E124 HydrophobicContact CE2-CG 4.23Å; Y88-E124 WeakPolarHBondContact CE2-OE2 3.3Å; Y88-E124 PolarHBondContact OH-OE2 2.76Å
89R96.2Very high96.8Very high149 Ų14969.2 Ų69.256%0.56232%0.317SS*.EExtended strand (participates in β ladder)trans-92130-176.9-172.4180172.7-171.9-0.7110.2F95R89-F95 HydrophobicContact CB-CD1 4.17Å; R89-F95 HydrophobicContact CB-CE1 3.82Å; R89-F95 HydrophobicContact CB-CE2 4.25Å; R89-F95 HydrophobicContact CB-CZ 3.87Å; R89-F95 HydrophobicContact CG-CD2 4.39Å; R89-F95 HydrophobicContact CG-CE1 4.43Å; R89-F95 HydrophobicContact CG-CE2 3.97Å; R89-F95 HydrophobicContact CG-CZ 4Å
90R95.3Very high96.8Very high40 Ų4070.6 Ų70.615%0.15133%0.325CS..  trans-82.1167.1170.2-76.1-175.2164.7169.81.9111.6D92 G93 V94 E124 A140R90-D92 VanDerWaalsContact C-N 3.25Å; R90-D92 WeakPolarHBondContact CB-OD1 3.32Å; R90-D92 PolarHBondContact O-N 3.2Å; R90-G93 PolarHBondContact O-N 3.03Å; R90-V94 PolarHBondContact N-O 3.43Å; R90-E124 WeakPolarHBondContact CG-OE1 3.31Å; R90-E124 IonicContact CZ-OE1 3.6Å; R90-E124 IonicContact NE-OE1 2.83Å; R90-E124 PolarHBondContact NE-OE1 2.83Å; R90-E124 IonicContact NE-OE2 4Å; R90-E124 IonicContact NH2-OE1 3.51Å; R90-E124 IonicContact NH2-OE2 3.43Å; R90-E124 PolarHBondContact NH2-OE2 2.74Å; R90-A140 VanDerWaalsContact CZ-OXT 3.24Å; R90-A140 PolarHBondContact NH1-OXT 3.06Å; R90-A140 PolarHBondContact NH2-O 3.38Å; R90-A140 PolarHBondContact NH2-OXT 3.26Å
91K92.1Very high96.8Very high169 Ų16972.5 Ų72.574%0.73534%0.335SS*.THydrogen-bonded Turntrans-63.4-31.6179.9-68.9-176.7179.2177.90113F14 G93F14-K91 HydrophobicContact CD1-CG 4.26Å; F14-K91 HydrophobicContact CD2-CD 4.48Å; F14-K91 VanDerWaalsContact CD2-CE 3.45Å; F14-K91 HydrophobicContact CD2-CG 4.34Å; F14-K91 HydrophobicContact CE1-CG 4.19Å; F14-K91 HydrophobicContact CE2-CG 4.26Å; F14-K91 HydrophobicContact CG-CG 4.33Å; F14-K91 HydrophobicContact CZ-CG 4.19Å; K91-G93 PolarHBondContact O-N 2.91Å
92D94.7Very high96.9Very high117 Ų11772.5 Ų72.563%0.62634%0.335SS*.THydrogen-bonded Turntrans-74.7-6174.857.77.6000113.4R90 V94R90-D92 VanDerWaalsContact C-N 3.25Å; R90-D92 WeakPolarHBondContact CB-OD1 3.32Å; R90-D92 PolarHBondContact O-N 3.2Å; D92-V94 PolarHBondContact OD1-N 2.91Å; D92-V94 VanDerWaalsContact OD1-N 3.07Å
93G95.2Very high96.9Very high26 Ų2672.5 Ų72.527%0.26834%0.335SS..SBendtrans95.9-10.1178.900000114.9R90 K91R90-G93 PolarHBondContact O-N 3.03Å; K91-G93 PolarHBondContact O-N 2.91Å
94V96.4Very high96.9Very high81 Ų8171 Ų7149%0.49133%0.329SS..  trans-68.7138.4178.9179.60000110.1R90 D92R90-V94 PolarHBondContact N-O 3.43Å; D92-V94 PolarHBondContact OD1-N 2.91Å; D92-V94 VanDerWaalsContact OD1-N 3.07Å
95F96.6Very high96.9Very high131 Ų13171.1 Ų71.158%0.57533%0.33SS*.EExtended strand (participates in β ladder)trans-94.9128.7169.6-76.8-100.6000109.7Y88 R89Y88-F95 WeakPolarHBondContact O-CA 3.35Å; R89-F95 HydrophobicContact CB-CD1 4.17Å; R89-F95 HydrophobicContact CB-CE1 3.82Å; R89-F95 HydrophobicContact CB-CE2 4.25Å; R89-F95 HydrophobicContact CB-CZ 3.87Å; R89-F95 HydrophobicContact CG-CD2 4.39Å; R89-F95 HydrophobicContact CG-CE1 4.43Å; R89-F95 HydrophobicContact CG-CE2 3.97Å; R89-F95 HydrophobicContact CG-CZ 4Å
96L96.3Very high96.8Very high39 Ų3963.8 Ų63.820%0.20430%0.303CS..EExtended strand (participates in β ladder)trans-120.8146.8177.5-174.465.6000110.4S87 Y88 F98S87-L96 WeakPolarHBondContact CA-O 3.21Å; Y88-L96 WeakPolarHBondContact CD1-O 3.32Å; Y88-L96 PolarHBondContact N-O 2.81Å; Y88-L96 PolarHBondContact O-N 3.5Å; L96-F98 HydrophobicContact CD2-CE2 3.9Å; L96-F98 HydrophobicContact CD2-CZ 4.04Å; L96-F98 HydrophobicContact CG-CE2 4.28Å
97Y96.9Very high96.6Very high164 Ų16460.9 Ų60.964%0.64329%0.293SS*.  trans-147.2156.3167.266.9-83.2000109.9R85R85-Y97 WeakPolarHBondContact O-CB 3.4Å
98F97.8Very high96.1Very high17 Ų1764.8 Ų64.88%0.07531%0.31CS..  trans-106.3162.4176.2-68.9-95000111.1R83 Q84 R85 Y88 L96 D100 P120 A122 A140R83-F98 HydrophobicContact CB-CB 3.96Å; R83-F98 HydrophobicContact CB-CD1 4.18Å; R83-F98 HydrophobicContact CB-CD2 4.26Å; R83-F98 HydrophobicContact CB-CG 3.86Å; R83-F98 HydrophobicContact CG-CB 4.28Å; R83-F98 HydrophobicContact CG-CD1 3.59Å; R83-F98 HydrophobicContact CG-CD2 4.36Å; R83-F98 HydrophobicContact CG-CE1 3.97Å; R83-F98 HydrophobicContact CG-CG 3.8Å; Q84-F98 PolarHBondContact O-N 2.93Å; R85-F98 WeakPolarHBondContact CA-O 3.41Å; Y88-F98 HydrophobicContact CE1-CE2 4.44Å; L96-F98 HydrophobicContact CD2-CE2 3.9Å; L96-F98 HydrophobicContact CD2-CZ 4.04Å; L96-F98 HydrophobicContact CG-CE2 4.28Å; F98-D100 VanDerWaalsContact C-N 3.27Å; F98-D100 PolarHBondContact O-N 2.91Å; F98-P120 HydrophobicContact CD1-CG 4.3Å; F98-P120 HydrophobicContact CE1-CB 4.31Å; F98-P120 HydrophobicContact CE1-CG 4.18Å; F98-A122 HydrophobicContact CE2-CB 3.7Å; F98-A122 HydrophobicContact CZ-CB 3.68Å; F98-A140 HydrophobicContact CE1-CB 4.16Å; F98-A140 HydrophobicContact CZ-CB 4.13Å
99E97.8Very high95.6Very high164 Ų16471 Ų7177%0.76634%0.337SS*.SBendtrans-61.9-34.9177.5-173.3-175.8175.700112.6R85R85-E99 VanDerWaalsContact CZ-O 3.29Å; R85-E99 PolarHBondContact NE-O 2.92Å; R85-E99 PolarHBondContact NH2-O 3.1Å; R85-E99 VanDerWaalsContact NH2-O 3.14Å
100D98Very high95.1Very high29 Ų2964 Ų6416%0.15531%0.311CS..SBendtrans-137.7172.4-175.873.6-35.8000112.9N27 R83 F98N27-D100 PolarHBondContact ND2-OD2 2.99Å; R83-D100 IonicContact CZ-OD1 3.45Å; R83-D100 IonicContact NE-OD1 3.84Å; R83-D100 IonicContact NH1-OD1 2.65Å; R83-D100 PolarHBondContact NH1-OD1 2.86Å; R83-D100 IonicContact NH1-OD2 3.5Å; F98-D100 VanDerWaalsContact C-N 3.27Å; F98-D100 PolarHBondContact O-N 2.91Å
101N98.4Very high94.9Very high40 Ų4065.6 Ų65.621%0.21432%0.32CS..  trans-100.4122.7170.4-59.6-54.6000108L20 I26 N27 Q84 R85L20-N101 HydrophobicContact CD2-CB 3.95Å; I26-N101 HydrophobicContact CB-CB 4.07Å; I26-N101 WeakPolarHBondContact CB-O 3.34Å; I26-N101 HydrophobicContact CG2-CB 3.61Å; N27-N101 PolarHBondContact N-O 3.02Å; Q84-N101 WeakPolarHBondContact CA-OD1 3.47Å; R85-N101 PolarHBondContact N-OD1 2.91Å
102A98.3Very high95Very high0 Ų059 Ų590%029%0.293CS..EExtended strand (participates in β ladder)trans-139.4149.8-17700000112.7N27 A29 I82 R83N27-A102 HydrophobicContact CB-CB 4.33Å; N27-A102 CarbonylContact O-C 3.57Å; N27-A102 VanDerWaalsContact O-CA 3.29Å; N27-A102 WeakPolarHBondContact O-CA 3.36Å; A29-A102 HydrophobicContact CB-CB 4.16Å; I82-A102 HydrophobicContact CD1-CB 4.26Å; I82-A102 HydrophobicContact CG1-CB 4.05Å; I82-A102 VanDerWaalsContact CG1-O 3.3Å; I82-A102 WeakPolarHBondContact CG1-O 3.43Å; I82-A102 PolarHBondContact N-O 3.02Å; R83-A102 HydrophobicContact CB-CB 4.13Å; R83-A102 PolarHBondContact N-O 3.06Å; R83-A102 PolarHBondContact O-N 2.8Å; R83-A102 VanDerWaalsContact O-N 3.15Å
103G97.9Very high94.9Very high0 Ų059.1 Ų59.10%029%0.288CS..EExtended strand (participates in β ladder)trans-141.8166175.100000112.6N27 C28 A29 V80N27-G103 PolarHBondContact O-N 3.1Å; C28-G103 WeakPolarHBondContact CA-O 3.19Å; A29-G103 PolarHBondContact N-O 2.65Å; V80-G103 CarbonylContact O-C 3.54Å; V80-G103 WeakPolarHBondContact O-CA 3.45Å
104V97.7Very high94.8Very high0 Ų058.3 Ų58.30%028%0.279CS..EExtended strand (participates in β ladder)trans-124.4140.5178.4-73.50000110.1A29 D30 A79 V80 I82 I117 I132A29-V104 HydrophobicContact CB-CG1 4.23Å; D30-V104 HydrophobicContact CB-CB 4.33Å; D30-V104 HydrophobicContact CB-CG1 3.94Å; A79-V104 CarbonylContact C-O 3.52Å; A79-V104 WeakPolarHBondContact CA-O 3.41Å; A79-V104 WeakPolarHBondContact CB-O 3.38Å; V80-V104 HydrophobicContact CB-CG2 4.4Å; V80-V104 PolarHBondContact N-O 2.82Å; V80-V104 PolarHBondContact O-N 2.78Å; I82-V104 HydrophobicContact CD1-CG1 4.34Å; I82-V104 HydrophobicContact CG2-CG1 4.43Å; I82-V104 HydrophobicContact CG2-CG2 3.68Å; V104-I117 HydrophobicContact CG1-CD1 4.13Å; V104-I117 HydrophobicContact CG1-CG1 4.07Å; V104-I117 HydrophobicContact CG1-CG2 4.23Å; V104-I132 HydrophobicContact CG2-CD1 3.71Å; V104-I132 HydrophobicContact CG2-CG1 4.25Å
105I97.3Very high94.7Very high2 Ų258.5 Ų58.51%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-76.3132179.1-62.2-179.8000108.9D30 A34 L37 V65 H77 K113D30-I105 WeakPolarHBondContact OD2-CB 3.47Å; D30-I105 PolarHBondContact OD2-N 3.2Å; A34-I105 HydrophobicContact CB-CD1 3.73Å; L37-I105 HydrophobicContact CD1-CG1 4.44Å; L37-I105 HydrophobicContact CD2-CD1 3.96Å; L37-I105 HydrophobicContact CD2-CG1 3.9Å; V65-I105 HydrophobicContact CG2-CD1 4.07Å; H77-I105 HydrophobicContact CB-CG2 3.99Å; I105-K113 HydrophobicContact CG2-CB 4.1Å; I105-K113 HydrophobicContact CG2-CD 4.15Å; I105-K113 PolarHBondContact O-N 3.26Å
106V96.1Very high94.6Very high4 Ų454.5 Ų54.52%0.02428%0.276CS..BIsolated β-bridgetrans-127.4163.1179-56.70000110.9M60 P78 V80 E111 I132M60-V106 HydrophobicContact CE-CG2 3.72Å; P78-V106 HydrophobicContact CB-CG2 3.89Å; P78-V106 PolarHBondContact O-N 3.3Å; P78-V106 VanDerWaalsContact O-O 3.09Å; V80-V106 HydrophobicContact CB-CG1 4.45Å; V80-V106 HydrophobicContact CG2-CG1 3.96Å; V80-V106 HydrophobicContact CG2-CG2 3.99Å; V106-E111 CarbonylContact C-O 3.48Å; V106-E111 WeakPolarHBondContact CA-O 3.13Å; V106-E111 WeakPolarHBondContact CB-O 3.43Å; V106-I132 HydrophobicContact CG1-CD1 4.36Å
107N93.7Very high94.7Very high59 Ų5953.3 Ų53.332%0.31627%0.269SS..  trans-79.3176.316972.214.3000111K109 G110 E111N107-K109 PolarHBondContact O-N 3.5Å; N107-K109 VanDerWaalsContact O-N 3.1Å; N107-K109 WeakPolarHBondContact OD1-CA 3.4Å; N107-K109 VanDerWaalsContact OD1-CB 3.31Å; N107-K109 WeakPolarHBondContact OD1-CB 3.2Å; N107-K109 PolarHBondContact OD1-N 2.84Å; N107-G110 PolarHBondContact O-N 2.84Å; N107-G110 PolarHBondContact OD1-N 2.86Å; N107-E111 PolarHBondContact N-O 2.95Å; N107-E111 PolarHBondContact ND2-OE2 3.5Å; N107-E111 PolarHBondContact OD1-N 2.83Å; N107-E111 PolarHBondContact OD1-O 2.94Å
108N88.4Confident94.6Very high129 Ų12950.3 Ų50.369%0.6927%0.268SS*.THydrogen-bonded Turntrans-62.3-19.7179.3-70-14.5000114P78P78-N108 WeakPolarHBondContact CG-OD1 3.34Å
109K87.1Confident94.5Very high130 Ų13051 Ų5157%0.56528%0.28SS*.THydrogen-bonded Turntrans-83.9-14.8174.4-59.2179.8-179174.20112.3G8 N107 E111G8-K109 WeakPolarHBondContact CA-O 3.32Å; G8-K109 PolarHBondContact N-O 3.32Å; N107-K109 PolarHBondContact O-N 3.5Å; N107-K109 VanDerWaalsContact O-N 3.1Å; N107-K109 WeakPolarHBondContact OD1-CA 3.4Å; N107-K109 VanDerWaalsContact OD1-CB 3.31Å; N107-K109 WeakPolarHBondContact OD1-CB 3.2Å; N107-K109 PolarHBondContact OD1-N 2.84Å; K109-E111 HydrophobicContact CB-CG 4.45Å
110G85.7Confident94.5Very high3 Ų345.2 Ų45.23%0.03126%0.257CS..SBendtrans90.314.2-17600000114.7N107N107-G110 PolarHBondContact O-N 2.84Å; N107-G110 PolarHBondContact OD1-N 2.86Å
111E90.9Very high94.4Very high73 Ų7343.8 Ų43.834%0.34125%0.249SC..  trans-85.6140.4171.4-53.3167.8135.800109.1V106 N107 K109 R131V106-E111 CarbonylContact C-O 3.48Å; V106-E111 WeakPolarHBondContact CA-O 3.13Å; V106-E111 WeakPolarHBondContact CB-O 3.43Å; N107-E111 PolarHBondContact N-O 2.95Å; N107-E111 PolarHBondContact ND2-OE2 3.5Å; N107-E111 PolarHBondContact OD1-N 2.83Å; N107-E111 PolarHBondContact OD1-O 2.94Å; K109-E111 HydrophobicContact CB-CG 4.45Å; E111-R131 HydrophobicContact CG-CG 4.44Å
112M92.9Very high94.4Very high31 Ų3141.9 Ų41.915%0.15324%0.239CC..BIsolated β-bridgetrans-65142.8-178.862.7174.651.200112.5G114 I117 R131 I132 N135M112-G114 VanDerWaalsContact CG-O 3.22Å; M112-G114 WeakPolarHBondContact CG-O 3.32Å; M112-G114 VanDerWaalsContact SD-O 3.37Å; M112-I117 HydrophobicContact CE-CD1 3.8Å; M112-I117 HydrophobicContact CE-CG1 4.05Å; M112-R131 WeakPolarHBondContact CE-O 3.37Å; M112-I132 HydrophobicContact CE-CB 4.41Å; M112-I132 HydrophobicContact CE-CG1 4.18Å; M112-N135 HydrophobicContact CE-CB 3.75Å; M112-N135 HydrophobicContact SD-CB 3.69Å; M112-N135 VanDerWaalsContact SD-CG 3.6Å; M112-N135 PolarHBondContact SD-ND2 2.9Å; M112-N135 VanDerWaalsContact SD-ND2 3.38Å
113K93.9Very high94.3Very high119 Ų11947 Ų4752%0.51726%0.261SS..SBendtrans-83.6-34.4172.5-173177.8-179.5178.80111.8T32 I105T32-K113 HydrophobicContact CG2-CB 3.98Å; T32-K113 HydrophobicContact CG2-CD 4.38Å; T32-K113 HydrophobicContact CG2-CG 4.06Å; I105-K113 HydrophobicContact CG2-CB 4.1Å; I105-K113 HydrophobicContact CG2-CD 4.15Å; I105-K113 PolarHBondContact O-N 3.26Å
114G93.3Very high94.1Very high9 Ų948.6 Ų48.69%0.09327%0.269CS..SBendtrans-74.7176.317100000112N31 T32 M112N31-G114 VanDerWaalsContact OD1-CA 3.32Å; N31-G114 WeakPolarHBondContact OD1-CA 3.27Å; T32-G114 VanDerWaalsContact CG2-N 3.34Å; M112-G114 VanDerWaalsContact CG-O 3.22Å; M112-G114 WeakPolarHBondContact CG-O 3.32Å; M112-G114 VanDerWaalsContact SD-O 3.37Å
115S94.4Very high94Very high85 Ų8548.6 Ų48.659%0.59427%0.269SS*.SBendtrans-110.2-21.1178.5-47.50000113.1N31 N135N31-S115 PolarHBondContact OD1-N 2.92Å; S115-N135 PolarHBondContact O-OD1 2.93Å
116A94.6Very high93.9Very high48 Ų4849 Ų4940%0.39727%0.272SS..  trans-143.6150.4-177.700000110.9D30 N31D30-A116 WeakPolarHBondContact CA-O 3.34Å; N31-A116 PolarHBondContact N-O 3.36Å; N31-A116 PolarHBondContact OD1-N 2.55Å
117I96.7Very high93.8Very high13 Ų1353.8 Ų53.87%0.06730%0.297CS..EExtended strand (participates in β ladder)trans-111.1129.1176.1-53.6-179.2000109.5A29 I82 V104 M112 V121 I132 N135A29-I117 HydrophobicContact CB-CG2 4.09Å; A29-I117 CarbonylContact O-C 3.47Å; A29-I117 WeakPolarHBondContact O-CA 3.27Å; I82-I117 HydrophobicContact CD1-CG2 3.82Å; V104-I117 HydrophobicContact CG1-CD1 4.13Å; V104-I117 HydrophobicContact CG1-CG1 4.07Å; V104-I117 HydrophobicContact CG1-CG2 4.23Å; M112-I117 HydrophobicContact CE-CD1 3.8Å; M112-I117 HydrophobicContact CE-CG1 4.05Å; I117-V121 HydrophobicContact CD1-CG2 4.06Å; I117-V121 HydrophobicContact CG2-CG2 3.94Å; I117-I132 HydrophobicContact CD1-CB 4.39Å; I117-I132 HydrophobicContact CD1-CG2 3.56Å; I117-N135 PolarHBondContact N-O 2.83Å
118T95.9Very high93.8Very high102 Ų10251.8 Ų51.863%0.62629%0.287SS*.EExtended strand (participates in β ladder)trans-85.5125.5173.8-54.80000110.5A29 R83A29-T118 PolarHBondContact O-N 3.27Å; R83-T118 PolarHBondContact NH2-O 2.74Å
119G95.4Very high94.1Very high32 Ų3246.5 Ų46.533%0.3326%0.257SS..EExtended strand (participates in β ladder)trans83.9-174.9177.400000114.1
120P96.9Very high94.3Very high41 Ų4143.1 Ų43.127%0.26625%0.248SC..EExtended strand (participates in β ladder)trans-75154.4-175.729.5-33.4000112.3R83 F98 S138R83-P120 WeakPolarHBondContact CD-O 3.34Å; R83-P120 WeakPolarHBondContact CG-O 3.47Å; R83-P120 PolarHBondContact NE-O 3.22Å; F98-P120 HydrophobicContact CD1-CG 4.3Å; F98-P120 HydrophobicContact CE1-CB 4.31Å; F98-P120 HydrophobicContact CE1-CG 4.18Å; P120-S138 WeakPolarHBondContact CA-O 3.44Å; P120-S138 WeakPolarHBondContact CA-OG 3.31Å; P120-S138 WeakPolarHBondContact CB-OG 3.26Å
121V97.6Very high94.6Very high0 Ų050.2 Ų50.20%027%0.274CS..EExtended strand (participates in β ladder)trans-117137.6171.7175.50000109I82 I117 C125 I132 A136 S138 I139 A140I82-V121 HydrophobicContact CB-CG1 4.19Å; I82-V121 HydrophobicContact CB-CG2 4.35Å; I82-V121 HydrophobicContact CD1-CG2 4.11Å; I82-V121 HydrophobicContact CG2-CG1 4.31Å; I117-V121 HydrophobicContact CD1-CG2 4.06Å; I117-V121 HydrophobicContact CG2-CG2 3.94Å; V121-C125 HydrophobicContact CG1-CB 3.98Å; V121-I132 HydrophobicContact CG1-CG2 4.08Å; V121-I132 HydrophobicContact CG2-CG2 4.49Å; V121-A136 HydrophobicContact CB-CB 3.96Å; V121-A136 HydrophobicContact CG2-CB 3.6Å; V121-S138 PolarHBondContact N-O 3.45Å; V121-I139 VanDerWaalsContact O-CA 3.28Å; V121-I139 WeakPolarHBondContact O-CA 3.21Å; V121-A140 PolarHBondContact O-N 3.33Å
122A97.3Very high94.8Very high0 Ų046.7 Ų46.70%026%0.258CS..  trans-65.9138.8174.900000112.1V57 I82 Y88 F98 E124 C125 A126 A140V57-A122 HydrophobicContact CB-CB 4.44Å; V57-A122 HydrophobicContact CG1-CB 3.36Å; V57-A122 HydrophobicContact CG2-CB 4.24Å; I82-A122 VanDerWaalsContact O-CB 3.32Å; I82-A122 WeakPolarHBondContact O-CB 3.34Å; I82-A122 PolarHBondContact O-N 3.42Å; I82-A122 VanDerWaalsContact O-N 3.11Å; Y88-A122 WeakPolarHBondContact OH-CB 3.21Å; F98-A122 HydrophobicContact CE2-CB 3.7Å; F98-A122 HydrophobicContact CZ-CB 3.68Å; A122-E124 PolarHBondContact O-N 2.88Å; A122-C125 WeakPolarHBondContact O-CA 3.31Å; A122-C125 WeakPolarHBondContact O-CB 3Å; A122-C125 PolarHBondContact O-N 2.77Å; A122-A126 PolarHBondContact O-N 3.07Å; A122-A140 CarbonylContact C-O 3.58Å; A122-A140 WeakPolarHBondContact CA-O 3.08Å
123K95.7Very high94.9Very high106 Ų10646.5 Ų46.546%0.46126%0.261SS..Hα-helixtrans-51.6-41.3176.8-177178178.1178.40112.3C125 A126 D127 I139 A140K123-C125 PolarHBondContact O-N 3.04Å; K123-A126 PolarHBondContact O-N 3.39Å; K123-D127 VanDerWaalsContact O-CG 3.28Å; K123-D127 PolarHBondContact O-N 2.84Å; K123-I139 HydrophobicContact CB-CG2 4.11Å; K123-A140 WeakPolarHBondContact CB-O 3.37Å; K123-A140 PolarHBondContact N-O 3.09Å
124E95.4Very high94.8Very high35 Ų3545.2 Ų45.216%0.16427%0.267CS..Hα-helixtrans-62.1-29.9178.9-62.975-16500112.5V57 Y88 R90 A122 L128V57-E124 HydrophobicContact CG1-CB 4.01Å; Y88-E124 HydrophobicContact CE2-CG 4.23Å; Y88-E124 WeakPolarHBondContact CE2-OE2 3.3Å; Y88-E124 PolarHBondContact OH-OE2 2.76Å; R90-E124 WeakPolarHBondContact CG-OE1 3.31Å; R90-E124 IonicContact CZ-OE1 3.6Å; R90-E124 IonicContact NE-OE1 2.83Å; R90-E124 PolarHBondContact NE-OE1 2.83Å; R90-E124 IonicContact NE-OE2 4Å; R90-E124 IonicContact NH2-OE1 3.51Å; R90-E124 IonicContact NH2-OE2 3.43Å; R90-E124 PolarHBondContact NH2-OE2 2.74Å; A122-E124 PolarHBondContact O-N 2.88Å; E124-L128 VanDerWaalsContact O-CD1 3.31Å; E124-L128 WeakPolarHBondContact O-CD1 3.39Å; E124-L128 VanDerWaalsContact O-CG 3.3Å; E124-L128 WeakPolarHBondContact O-CG 3.08Å
125C95.5Very high94.9Very high0 Ų047.8 Ų47.80%028%0.279CS..Hα-helixtrans-78.9-41.7172.3-176.30000111.5V57 V121 A122 K123 L128 W129V57-C125 HydrophobicContact CG1-CB 3.93Å; V121-C125 HydrophobicContact CG1-CB 3.98Å; A122-C125 WeakPolarHBondContact O-CA 3.31Å; A122-C125 WeakPolarHBondContact O-CB 3Å; A122-C125 PolarHBondContact O-N 2.77Å; K123-C125 PolarHBondContact O-N 3.04Å; C125-L128 PolarHBondContact O-N 3.12Å; C125-W129 PolarHBondContact O-N 2.73Å
126A95Very high94.9Very high9 Ų944.8 Ų44.87%0.07426%0.259CS..Hα-helixtrans-61.9-42.7-179.900000112.3A122 K123 L128 W129 A133 I139A122-A126 PolarHBondContact O-N 3.07Å; K123-A126 PolarHBondContact O-N 3.39Å; A126-L128 PolarHBondContact O-N 2.8Å; A126-W129 PolarHBondContact O-N 3.4Å; A126-A133 HydrophobicContact CB-CB 3.84Å; A126-I139 HydrophobicContact CB-CD1 3.87Å; A126-I139 HydrophobicContact CB-CG1 4.24Å; A126-I139 HydrophobicContact CB-CG2 3.91Å
127D93.7Very high94.7Very high105 Ų10546 Ų4656%0.56128%0.276SS*.Hα-helixtrans-62.4-32.1178.5-69-13.4000112.1K123K123-D127 VanDerWaalsContact O-CG 3.28Å; K123-D127 PolarHBondContact O-N 2.84Å
128L93.7Very high94.6Very high18 Ų1848.2 Ų48.29%0.09429%0.293CS..Hα-helixtrans-87.1-31.5-179-66.5173.1000113.2S9 S10 K13 E124 C125 A126 P130S9-L128 CarbonylContact C-O 3.57Å; S9-L128 WeakPolarHBondContact CA-O 3.46Å; S10-L128 PolarHBondContact N-O 3.41Å; S10-L128 VanDerWaalsContact O-CD2 3.27Å; S10-L128 WeakPolarHBondContact O-CD2 3.28Å; K13-L128 HydrophobicContact CB-CD1 3.72Å; K13-L128 HydrophobicContact CB-CD2 4.39Å; K13-L128 HydrophobicContact CD-CD1 4.16Å; K13-L128 HydrophobicContact CG-CD1 3.95Å; E124-L128 VanDerWaalsContact O-CD1 3.31Å; E124-L128 WeakPolarHBondContact O-CD1 3.39Å; E124-L128 VanDerWaalsContact O-CG 3.3Å; E124-L128 WeakPolarHBondContact O-CG 3.08Å; C125-L128 PolarHBondContact O-N 3.12Å; A126-L128 PolarHBondContact O-N 2.8Å; L128-P130 WeakPolarHBondContact O-CD 3.44Å
129W94.3Very high94.6Very high18 Ų1847.7 Ų47.77%0.06829%0.285CS..  trans-125.788.5-169.1-59.2102.2000110.7G58 M60 V80 C125 A126 R131 I132 A133G58-W129 PolarHBondContact O-NE1 2.76Å; M60-W129 HydrophobicContact CB-CH2 4.39Å; M60-W129 HydrophobicContact CB-CZ2 4.16Å; M60-W129 HydrophobicContact CE-CH2 3.4Å; M60-W129 HydrophobicContact CE-CZ2 4.18Å; M60-W129 HydrophobicContact CE-CZ3 3.87Å; M60-W129 HydrophobicContact SD-CH2 4.49Å; V80-W129 HydrophobicContact CG1-CG 4.3Å; V80-W129 HydrophobicContact CG2-CD2 4.16Å; V80-W129 HydrophobicContact CG2-CH2 4.46Å; V80-W129 HydrophobicContact CG2-CZ2 3.96Å; C125-W129 PolarHBondContact O-N 2.73Å; A126-W129 PolarHBondContact O-N 3.4Å; W129-R131 VanDerWaalsContact C-N 3.29Å; W129-R131 PolarHBondContact O-N 2.9Å; W129-I132 HydrophobicContact CB-CB 3.84Å; W129-I132 HydrophobicContact CB-CD1 3.67Å; W129-I132 HydrophobicContact CB-CG1 3.83Å; W129-I132 HydrophobicContact CG-CD1 3.92Å; W129-I132 WeakPolarHBondContact O-CA 3.34Å; W129-I132 WeakPolarHBondContact O-CB 3.45Å; W129-I132 PolarHBondContact O-N 3.24Å; W129-A133 PolarHBondContact O-N 3.14Å
130P92.1Very high94.4Very high58 Ų5848.7 Ų48.738%0.37729%0.29SS..Hα-helixtrans-57.3-39.6-173.2-2734.4000113.4G8 S10 L128 I132 A133 S134G8-P130 WeakPolarHBondContact O-CD 3.49Å; S10-P130 WeakPolarHBondContact OG-CD 3.48Å; S10-P130 WeakPolarHBondContact OG-CG 3.39Å; L128-P130 WeakPolarHBondContact O-CD 3.44Å; P130-I132 VanDerWaalsContact C-N 3.3Å; P130-I132 PolarHBondContact O-N 3.09Å; P130-A133 WeakPolarHBondContact O-CB 3.36Å; P130-A133 PolarHBondContact O-N 3Å; P130-S134 PolarHBondContact O-N 2.8Å; P130-S134 PolarHBondContact O-OG 2.97Å
131R91.7Very high94.3Very high152 Ų15249.1 Ų49.157%0.57429%0.292SS*.Hα-helixtrans-66.8-30.9177.8-65.6-60.5-170.2-174.51.1112.8E111 M112 W129 N135E111-R131 HydrophobicContact CG-CG 4.44Å; M112-R131 WeakPolarHBondContact CE-O 3.37Å; W129-R131 VanDerWaalsContact C-N 3.29Å; W129-R131 PolarHBondContact O-N 2.9Å; R131-N135 PolarHBondContact O-ND2 2.9Å
132I94.8Very high94.2Very high0 Ų051.7 Ų51.70%031%0.307CS..Hα-helixtrans-71.8-45.9173.6-63.6-179000109.4V80 I82 V104 V106 M112 I117 V121 W129 P130 S134 N135 A136V80-I132 HydrophobicContact CB-CD1 3.72Å; V80-I132 HydrophobicContact CG1-CD1 3.74Å; V80-I132 HydrophobicContact CG2-CD1 4.05Å; I82-I132 HydrophobicContact CG2-CG2 4.08Å; V104-I132 HydrophobicContact CG2-CD1 3.71Å; V104-I132 HydrophobicContact CG2-CG1 4.25Å; V106-I132 HydrophobicContact CG1-CD1 4.36Å; M112-I132 HydrophobicContact CE-CB 4.41Å; M112-I132 HydrophobicContact CE-CG1 4.18Å; I117-I132 HydrophobicContact CD1-CB 4.39Å; I117-I132 HydrophobicContact CD1-CG2 3.56Å; V121-I132 HydrophobicContact CG1-CG2 4.08Å; V121-I132 HydrophobicContact CG2-CG2 4.49Å; W129-I132 HydrophobicContact CB-CB 3.84Å; W129-I132 HydrophobicContact CB-CD1 3.67Å; W129-I132 HydrophobicContact CB-CG1 3.83Å; W129-I132 HydrophobicContact CG-CD1 3.92Å; W129-I132 WeakPolarHBondContact O-CA 3.34Å; W129-I132 WeakPolarHBondContact O-CB 3.45Å; W129-I132 PolarHBondContact O-N 3.24Å; P130-I132 VanDerWaalsContact C-N 3.3Å; P130-I132 PolarHBondContact O-N 3.09Å; I132-S134 VanDerWaalsContact C-N 3.33Å; I132-S134 PolarHBondContact O-N 2.85Å; I132-N135 PolarHBondContact O-N 3.13Å; I132-A136 PolarHBondContact O-N 3.11Å
133A93.8Very high94Very high26 Ų2654.6 Ų54.622%0.21532%0.324CS..Hα-helixtrans-56.5-45.3176.700000112.3A126 W129 P130 N135 A136 I139A126-A133 HydrophobicContact CB-CB 3.84Å; W129-A133 PolarHBondContact O-N 3.14Å; P130-A133 WeakPolarHBondContact O-CB 3.36Å; P130-A133 PolarHBondContact O-N 3Å; A133-N135 VanDerWaalsContact C-N 3.26Å; A133-N135 PolarHBondContact O-N 3.38Å; A133-A136 PolarHBondContact O-N 3.28Å; A133-I139 HydrophobicContact CB-CD1 4.39Å
134S92.8Very high93.9Very high92 Ų9251.5 Ų51.564%0.64332%0.316SS*.Hα-helixtrans-65.4-22.4-177.6-570000115.1P130 I132P130-S134 PolarHBondContact O-N 2.8Å; P130-S134 PolarHBondContact O-OG 2.97Å; I132-S134 VanDerWaalsContact C-N 3.33Å; I132-S134 PolarHBondContact O-N 2.85Å
135N94.6Very high93.8Very high64 Ų6452.6 Ų52.634%0.34233%0.326SS..THydrogen-bonded Turntrans-11311.1-178.5-58.7-84.7000112.3M112 S115 I117 R131 I132 A133M112-N135 HydrophobicContact CE-CB 3.75Å; M112-N135 HydrophobicContact SD-CB 3.69Å; M112-N135 VanDerWaalsContact SD-CG 3.6Å; M112-N135 PolarHBondContact SD-ND2 2.9Å; M112-N135 VanDerWaalsContact SD-ND2 3.38Å; S115-N135 PolarHBondContact O-OD1 2.93Å; I117-N135 PolarHBondContact N-O 2.83Å; R131-N135 PolarHBondContact O-ND2 2.9Å; I132-N135 PolarHBondContact O-N 3.13Å; A133-N135 VanDerWaalsContact C-N 3.26Å; A133-N135 PolarHBondContact O-N 3.38Å
136A94.7Very high93.7Very high21 Ų2156.1 Ų56.117%0.17435%0.347CS..EExtended strand (participates in β ladder)trans-83.4131.7173.500000109.9V121 I132 A133 S138 I139V121-A136 HydrophobicContact CB-CB 3.96Å; V121-A136 HydrophobicContact CG2-CB 3.6Å; I132-A136 PolarHBondContact O-N 3.11Å; A133-A136 PolarHBondContact O-N 3.28Å; A136-S138 VanDerWaalsContact C-N 3.33Å; A136-I139 HydrophobicContact CB-CG1 4.24Å
137G91.3Very high93.6Very high74 Ų7459.4 Ų59.476%0.76337%0.367SS*.EExtended strand (participates in β ladder)trans-71.2-28.2176.200000113.5
138S95.3Very high93.6Very high60 Ų6055.9 Ų55.942%0.4235%0.352SS..EExtended strand (participates in β ladder)trans-151.5149.6173.553.10000110.7P120 V121 A136P120-S138 WeakPolarHBondContact CA-O 3.44Å; P120-S138 WeakPolarHBondContact CA-OG 3.31Å; P120-S138 WeakPolarHBondContact CB-OG 3.26Å; V121-S138 PolarHBondContact N-O 3.45Å; A136-S138 VanDerWaalsContact C-N 3.33Å
139I95.9Very high93.6Very high91 Ų9159.1 Ų59.147%0.46737%0.373SS..EExtended strand (participates in β ladder)trans-120.2128.7177.2-60.1169.8000107.9V121 K123 A126 A133 A136V121-I139 VanDerWaalsContact O-CA 3.28Å; V121-I139 WeakPolarHBondContact O-CA 3.21Å; K123-I139 HydrophobicContact CB-CG2 4.11Å; A126-I139 HydrophobicContact CB-CD1 3.87Å; A126-I139 HydrophobicContact CB-CG1 4.24Å; A126-I139 HydrophobicContact CB-CG2 3.91Å; A133-I139 HydrophobicContact CB-CD1 4.39Å; A136-I139 HydrophobicContact CB-CG1 4.24Å
140A91.4Very high93.5Very high53 Ų5362.8 Ų62.844%0.43840%0.401SS..  trans-115.40-178.800000111.7R90 F98 V121 A122 K123R90-A140 VanDerWaalsContact CZ-OXT 3.24Å; R90-A140 PolarHBondContact NH1-OXT 3.06Å; R90-A140 PolarHBondContact NH2-O 3.38Å; R90-A140 PolarHBondContact NH2-OXT 3.26Å; F98-A140 HydrophobicContact CE1-CB 4.16Å; F98-A140 HydrophobicContact CZ-CB 4.13Å; V121-A140 PolarHBondContact O-N 3.33Å; A122-A140 CarbonylContact C-O 3.58Å; A122-A140 WeakPolarHBondContact CA-O 3.08Å; K123-A140 WeakPolarHBondContact CB-O 3.37Å; K123-A140 PolarHBondContact N-O 3.09Å

Retrieved 140 of 140 residues in 63 ms (Link to these results)