U389_DROME Loading...

UPF0389 protein CG9231

AlphaFold DB , UniProt , Accession Q9VW12, Species DROME (Drosophila melanogaster, Fruit fly), Gene n/a, Length 125 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M48.8Very low59.6Low230 Ų230111.4 Ų111.4100%1.13364%0.638SS**  082.70-85.3173.7152.300109.5S3M1-S3 VanDerWaalsContact C-N 3.26Å; M1-S3 PolarHBondContact O-N 2.89Å; M1-S3 VanDerWaalsContact O-N 3.09Å
2L57.8Low59.9Low165 Ų165109.3 Ų109.386%0.86463%0.628SS**  trans-77.389.4161.7-9868.3000105.9K4L2-K4 PolarHBondContact O-N 3.15Å
3S52.1Low59.8Low71 Ų71117.2 Ų117.250%0.49764%0.642SS.*  trans-53131.5-176.1-77.40000109.9M1 T5 G6M1-S3 VanDerWaalsContact C-N 3.26Å; M1-S3 PolarHBondContact O-N 2.89Å; M1-S3 VanDerWaalsContact O-N 3.09Å; S3-T5 WeakPolarHBondContact CB-OG1 3.43Å; S3-T5 PolarHBondContact O-N 2.8Å; S3-G6 PolarHBondContact O-N 3.05Å
4K59.6Low59.6Low176 Ų176123.9 Ų123.977%0.76565%0.653SS**Hα-helixtrans-49.3-26.9179.8-67.8-173.4174.3-157.30112.6L2 L7 I8L2-K4 PolarHBondContact O-N 3.15Å; K4-L7 PolarHBondContact O-N 3.42Å; K4-I8 WeakPolarHBondContact O-CD1 3.3Å; K4-I8 VanDerWaalsContact O-CG1 3.23Å; K4-I8 WeakPolarHBondContact O-CG1 3.2Å; K4-I8 PolarHBondContact O-N 3.3Å
5T65.9Low59.4Low106 Ų106120.7 Ų120.765%0.6565%0.645SS**Hα-helixtrans-59.8-40.8172.253.40000113.7S3 I8 G9S3-T5 WeakPolarHBondContact CB-OG1 3.43Å; S3-T5 PolarHBondContact O-N 2.8Å; T5-I8 PolarHBondContact O-N 3.43Å; T5-G9 PolarHBondContact O-N 3.15Å
6G61Low59.3Low48 Ų48123.5 Ų123.550%0.49565%0.65SS.*Hα-helixtrans-68.3-37177.400000112.5S3 G9 A10S3-G6 PolarHBondContact O-N 3.05Å; G6-G9 PolarHBondContact O-N 2.63Å; G6-A10 WeakPolarHBondContact O-CB 3.37Å; G6-A10 PolarHBondContact O-N 3.46Å
7L63.5Low59.1Low106 Ų106119.4 Ų119.456%0.55564%0.644SS**Hα-helixtrans-68.3-40.4174.3-113.7169.1000111.6K4 A10 L11K4-L7 PolarHBondContact O-N 3.42Å; L7-A10 PolarHBondContact O-N 3.26Å; L7-L11 WeakPolarHBondContact O-CB 3.26Å; L7-L11 PolarHBondContact O-N 2.95Å
8I64Low58.9Low106 Ų106118.3 Ų118.354%0.54464%0.642SS.*Hα-helixtrans-63.4-45.1173.6-65160.8000110.1K4 T5 A10 L11 V12K4-I8 WeakPolarHBondContact O-CD1 3.3Å; K4-I8 VanDerWaalsContact O-CG1 3.23Å; K4-I8 WeakPolarHBondContact O-CG1 3.2Å; K4-I8 PolarHBondContact O-N 3.3Å; T5-I8 PolarHBondContact O-N 3.43Å; I8-A10 PolarHBondContact O-N 3.47Å; I8-L11 PolarHBondContact O-N 3.39Å; I8-V12 HydrophobicContact CG2-CG2 4.24Å; I8-V12 WeakPolarHBondContact O-CB 3.22Å; I8-V12 VanDerWaalsContact O-CG2 3.23Å; I8-V12 WeakPolarHBondContact O-CG2 3.27Å; I8-V12 PolarHBondContact O-N 3.25Å
9G60.7Low58.7Low40 Ų40114.7 Ų114.741%0.41263%0.627SS.*Hα-helixtrans-61.2-40.9176.300000113.2T5 G6 R13T5-G9 PolarHBondContact O-N 3.15Å; G6-G9 PolarHBondContact O-N 2.63Å; G9-R13 WeakPolarHBondContact O-CB 3.26Å; G9-R13 PolarHBondContact O-N 2.98Å
10A62.1Low58.5Low59 Ų59116.3 Ų116.349%0.48863%0.63SS.*Hα-helixtrans-67.7-39175.400000112.4G6 L7 I8 R13 R14G6-A10 WeakPolarHBondContact O-CB 3.37Å; G6-A10 PolarHBondContact O-N 3.46Å; L7-A10 PolarHBondContact O-N 3.26Å; I8-A10 PolarHBondContact O-N 3.47Å; A10-R13 PolarHBondContact O-N 2.98Å; A10-R14 WeakPolarHBondContact O-CB 3.47Å; A10-R14 PolarHBondContact O-N 3.16Å
11L60.5Low58.1Low118 Ų118117.8 Ų117.862%0.61863%0.634SS**Hα-helixtrans-66.8-41.3175.2-108.7149.8000112.2L7 I8 R14 S15L7-L11 WeakPolarHBondContact O-CB 3.26Å; L7-L11 PolarHBondContact O-N 2.95Å; I8-L11 PolarHBondContact O-N 3.39Å; L11-R14 PolarHBondContact O-N 3.35Å; L11-S15 PolarHBondContact O-N 3.3Å; L11-S15 VanDerWaalsContact O-N 3.16Å; L11-S15 PolarHBondContact O-OG 3.21Å
12V62.3Low58.2Low86 Ų86112 Ų11252%0.52161%0.608SS.*Hα-helixtrans-67-40.3175.91720000110.8I8 S15I8-V12 HydrophobicContact CG2-CG2 4.24Å; I8-V12 WeakPolarHBondContact O-CB 3.22Å; I8-V12 VanDerWaalsContact O-CG2 3.23Å; I8-V12 WeakPolarHBondContact O-CG2 3.27Å; I8-V12 PolarHBondContact O-N 3.25Å; V12-S15 WeakPolarHBondContact CA-OG 3.19Å; V12-S15 PolarHBondContact O-N 3.23Å; V12-S15 PolarHBondContact O-OG 3.42Å; V12-S15 VanDerWaalsContact O-OG 3.05Å
13R58.6Low58Low212 Ų212112.2 Ų112.280%0.860%0.597SS**Hα-helixtrans-69.2-36.4177.7-168.1168.6-175.9-172.5-0112.3G9 A10 S15 F16G9-R13 WeakPolarHBondContact O-CB 3.26Å; G9-R13 PolarHBondContact O-N 2.98Å; A10-R13 PolarHBondContact O-N 2.98Å; R13-S15 VanDerWaalsContact C-N 3.3Å; R13-S15 PolarHBondContact O-N 3.05Å; R13-F16 PolarHBondContact O-N 3.17Å
14R57.9Low58.2Low212 Ų212113.3 Ų113.380%0.859%0.594SS**Hα-helixtrans-70.4-27.3178-161.1167.9-172.7178.11.1112.5A10 L11A10-R14 WeakPolarHBondContact O-CB 3.47Å; A10-R14 PolarHBondContact O-N 3.16Å; L11-R14 PolarHBondContact O-N 3.35Å
15S56.3Low57.9Low76 Ų76110.1 Ų110.153%0.53159%0.589SS.*Hα-helixtrans-79-17.3178.532.10000114.1L11 V12 R13L11-S15 PolarHBondContact O-N 3.3Å; L11-S15 VanDerWaalsContact O-N 3.16Å; L11-S15 PolarHBondContact O-OG 3.21Å; V12-S15 WeakPolarHBondContact CA-OG 3.19Å; V12-S15 PolarHBondContact O-N 3.23Å; V12-S15 PolarHBondContact O-OG 3.42Å; V12-S15 VanDerWaalsContact O-OG 3.05Å; R13-S15 VanDerWaalsContact C-N 3.3Å; R13-S15 PolarHBondContact O-N 3.05Å
16F57.6Low57.4Low165 Ų165109.6 Ų109.672%0.72458%0.582SS**Hα-helixtrans-87-15.6174.7-107.3-96.8000114.8R13 S19R13-F16 PolarHBondContact O-N 3.17Å; F16-S19 PolarHBondContact O-OG 3.46Å
17G55.5Low57.1Low53 Ų53111.8 Ų111.855%0.54658%0.577SS.*Hα-helixtrans-78.9-29-175.100000115.1S19G17-S19 PolarHBondContact O-N 3.2Å
18T55.5Low56.7Low100 Ų100111.3 Ų111.361%0.61358%0.575SS**THydrogen-bonded Turntrans-74.4-7.9-177.3-26.80000113.1Q20T18-Q20 PolarHBondContact O-N 3.24Å
19S55.8Low56.4Low50 Ų50110.2 Ų110.235%0.3557%0.568SS.*Hα-helixtrans-77.9-15.8-177.2-47.20000114.1F16 G17 R23F16-S19 PolarHBondContact O-OG 3.46Å; G17-S19 PolarHBondContact O-N 3.2Å; S19-R23 WeakPolarHBondContact O-CB 3.09Å; S19-R23 WeakPolarHBondContact O-CD 3.49Å; S19-R23 WeakPolarHBondContact O-CG 3.44Å; S19-R23 PolarHBondContact O-N 2.86Å
20Q53.8Low56.1Low147 Ų147114 Ų11469%0.68758%0.575SS**Hα-helixtrans-80.3-48.9-175-64.3-94.3-5000111.6T18 R23 E24T18-Q20 PolarHBondContact O-N 3.24Å; Q20-R23 WeakPolarHBondContact O-CB 3.46Å; Q20-R23 PolarHBondContact O-N 3.25Å; Q20-E24 PolarHBondContact O-N 3.15Å; Q20-E24 VanDerWaalsContact O-N 3.16Å
21M51Low56Low148 Ų148111.2 Ų111.273%0.72955%0.552SS**Hα-helixtrans-70.1-38.6179.2-72.9-70.8-79.400112.6R23 E24 T25M21-R23 PolarHBondContact O-N 2.92Å; M21-E24 PolarHBondContact O-N 3.37Å; M21-T25 PolarHBondContact O-N 2.87Å; M21-T25 PolarHBondContact O-OG1 3.27Å
22L51.1Low56.1Low109 Ų109110.2 Ų110.257%0.57155%0.547SS*.Hα-helixtrans-61.9-34.3173-109167.1000111.4I26L22-I26 HydrophobicContact CD2-CD1 4.47Å; L22-I26 WeakPolarHBondContact O-CB 3.47Å; L22-I26 VanDerWaalsContact O-CD1 3.3Å; L22-I26 WeakPolarHBondContact O-CD1 3.3Å; L22-I26 WeakPolarHBondContact O-CG1 3.43Å; L22-I26 PolarHBondContact O-N 3.34Å
23R54.1Low56.3Low168 Ų168111.7 Ų111.763%0.63455%0.552SS**Hα-helixtrans-66-41.5173.5-82.4-178.8-177.2-71.6-0.1112.3S19 Q20 M21 I26 K27S19-R23 WeakPolarHBondContact O-CB 3.09Å; S19-R23 WeakPolarHBondContact O-CD 3.49Å; S19-R23 WeakPolarHBondContact O-CG 3.44Å; S19-R23 PolarHBondContact O-N 2.86Å; Q20-R23 WeakPolarHBondContact O-CB 3.46Å; Q20-R23 PolarHBondContact O-N 3.25Å; M21-R23 PolarHBondContact O-N 2.92Å; R23-I26 CarbonylContact O-C 3.57Å; R23-I26 PolarHBondContact O-N 3.43Å; R23-K27 WeakPolarHBondContact O-CG 3.46Å; R23-K27 PolarHBondContact O-N 2.82Å
24E54.9Low56.3Low95 Ų95108.1 Ų108.144%0.44455%0.548SS..Hα-helixtrans-62.7-43.7175.4-70.9-69.1139.900112.3Q20 M21 I26 K27Q20-E24 PolarHBondContact O-N 3.15Å; Q20-E24 VanDerWaalsContact O-N 3.16Å; M21-E24 PolarHBondContact O-N 3.37Å; E24-I26 VanDerWaalsContact C-N 3.27Å; E24-I26 PolarHBondContact O-N 3.12Å; E24-K27 VanDerWaalsContact O-CB 3.26Å; E24-K27 WeakPolarHBondContact O-CB 3.19Å; E24-K27 PolarHBondContact O-N 3.32Å; E24-K27 VanDerWaalsContact OE1-CE 3.3Å; E24-K27 WeakPolarHBondContact OE1-CE 3.29Å; E24-K27 IonicContact OE1-NZ 2.63Å; E24-K27 PolarHBondContact OE1-NZ 3.22Å; E24-K27 IonicContact OE2-NZ 3.87Å
25T53.8Low56.6Low108 Ų10899.9 Ų99.966%0.66352%0.519SS*.Hα-helixtrans-66.5-32.5175.6-48.30000111.5M21 K27M21-T25 PolarHBondContact O-N 2.87Å; M21-T25 PolarHBondContact O-OG1 3.27Å; T25-K27 VanDerWaalsContact C-N 3.29Å; T25-K27 PolarHBondContact O-N 3.03Å
26I54.5Low57.1Low96 Ų9698.6 Ų98.649%0.49250%0.502SS..Hα-helixtrans-68.6-25.4171-67.8164.3000111.4L22 R23 E24 N28 Q57L22-I26 HydrophobicContact CD2-CD1 4.47Å; L22-I26 WeakPolarHBondContact O-CB 3.47Å; L22-I26 VanDerWaalsContact O-CD1 3.3Å; L22-I26 WeakPolarHBondContact O-CD1 3.3Å; L22-I26 WeakPolarHBondContact O-CG1 3.43Å; L22-I26 PolarHBondContact O-N 3.34Å; R23-I26 CarbonylContact O-C 3.57Å; R23-I26 PolarHBondContact O-N 3.43Å; E24-I26 VanDerWaalsContact C-N 3.27Å; E24-I26 PolarHBondContact O-N 3.12Å; I26-N28 PolarHBondContact O-N 3.1Å; I26-Q57 WeakPolarHBondContact O-CG 3.36Å; I26-Q57 PolarHBondContact O-NE2 3.31Å
27K55.5Low57.5Low93 Ų9398.4 Ų98.440%0.40450%0.497SS..Hα-helixtrans-63.6-26.6-179.3-75.8178-175.8-176.60113.9R23 E24 T25 Q57R23-K27 WeakPolarHBondContact O-CG 3.46Å; R23-K27 PolarHBondContact O-N 2.82Å; E24-K27 VanDerWaalsContact O-CB 3.26Å; E24-K27 WeakPolarHBondContact O-CB 3.19Å; E24-K27 PolarHBondContact O-N 3.32Å; E24-K27 VanDerWaalsContact OE1-CE 3.3Å; E24-K27 WeakPolarHBondContact OE1-CE 3.29Å; E24-K27 IonicContact OE1-NZ 2.63Å; E24-K27 PolarHBondContact OE1-NZ 3.22Å; E24-K27 IonicContact OE2-NZ 3.87Å; T25-K27 VanDerWaalsContact C-N 3.29Å; T25-K27 PolarHBondContact O-N 3.03Å; K27-Q57 WeakPolarHBondContact O-CG 3.43Å; K27-Q57 PolarHBondContact O-N 2.91Å; K27-Q57 VanDerWaalsContact O-N 3.08Å
28N54.7Low57.8Low96 Ų9698 Ų9851%0.51348%0.481SS..EExtended strand (participates in β ladder)trans-110.368.9178.8-63.7-58.2000109.8I26 E30I26-N28 PolarHBondContact O-N 3.1Å; N28-E30 PolarHBondContact O-N 2.81Å
29H57.2Low58.3Low84 Ų8493.2 Ų93.239%0.38945%0.452SS..EExtended strand (participates in β ladder)trans-76.4120.2170.9-17157.5000108.7P31 E35H29-P31 VanDerWaalsContact O-CD 3.26Å; H29-P31 WeakPolarHBondContact O-CD 3.48Å; H29-E35 IonicContact CD2-OE1 3.97Å; H29-E35 IonicContact CD2-OE2 3.81Å; H29-E35 PolarHBondContact CD2-OE2 2.92Å; H29-E35 VanDerWaalsContact CD2-OE2 3.27Å; H29-E35 IonicContact NE2-OE1 2.54Å; H29-E35 IonicContact NE2-OE2 3.81Å
30E56.1Low58.9Low118 Ų11892.8 Ų92.855%0.55145%0.447SS*.  trans-65113.3167.6-175.1-177.5171.300107.7N28 N32N28-E30 PolarHBondContact O-N 2.81Å; E30-N32 PolarHBondContact O-N 3.08Å
31P59.3Low59.4Low2 Ų292.1 Ų92.11%0.01344%0.438CS..  trans-67.6122.7-174.826.7-30.5000109.9H29 E35 R36 L39 N53 V55 M60H29-P31 VanDerWaalsContact O-CD 3.26Å; H29-P31 WeakPolarHBondContact O-CD 3.48Å; P31-E35 WeakPolarHBondContact CA-OE2 3.4Å; P31-E35 HydrophobicContact CB-CB 3.74Å; P31-E35 WeakPolarHBondContact CB-OE2 3.43Å; P31-R36 HydrophobicContact CB-CG 4.44Å; P31-R36 HydrophobicContact CG-CG 4.38Å; P31-R36 PolarHBondContact O-NE 3.49Å; P31-L39 HydrophobicContact CB-CD1 4.22Å; P31-L39 HydrophobicContact CG-CD1 4.44Å; P31-N53 WeakPolarHBondContact CD-O 3.32Å; P31-V55 HydrophobicContact CG-CB 4.19Å; P31-V55 HydrophobicContact CG-CG2 3.88Å; P31-M60 HydrophobicContact CB-CE 3.89Å
32N62.7Low60Low97 Ų9785.2 Ų85.252%0.51940%0.404SS..  trans-57.1160.9174.2-163.5-62000110.2E30 L34 E35 R36E30-N32 PolarHBondContact O-N 3.08Å; N32-L34 PolarHBondContact O-N 3.44Å; N32-E35 HydrophobicContact CB-CG 4.43Å; N32-E35 WeakPolarHBondContact O-CA 3.37Å; N32-E35 WeakPolarHBondContact O-CB 3.45Å; N32-E35 PolarHBondContact O-N 3.15Å; N32-R36 PolarHBondContact O-N 3.11Å
33N65.8Low60.7Low116 Ų11682.7 Ų82.762%0.6241%0.405SS*.Hα-helixtrans-49.7-34.5176.4-68.1-61.5000113R37N33-R37 PolarHBondContact O-N 3.28Å; N33-R37 VanDerWaalsContact O-N 3.11Å
34L59.6Low61.1Low138 Ų13879.3 Ų79.372%0.72339%0.394SS*.Hα-helixtrans-69.2-40.2175.7-61.3-177.5000112.9N32 R37 M38N32-L34 PolarHBondContact O-N 3.44Å; L34-R37 WeakPolarHBondContact O-CB 3.41Å; L34-R37 PolarHBondContact O-N 2.92Å; L34-M38 WeakPolarHBondContact O-CB 3.2Å; L34-M38 PolarHBondContact O-N 2.76Å
35E64Low61.4Low38 Ų3877.4 Ų77.418%0.17838%0.384CS..Hα-helixtrans-70.6-35.1177.6-60.8-167.5155.300111.3H29 P31 N32 R37 M38 L39 M60H29-E35 IonicContact CD2-OE1 3.97Å; H29-E35 IonicContact CD2-OE2 3.81Å; H29-E35 PolarHBondContact CD2-OE2 2.92Å; H29-E35 VanDerWaalsContact CD2-OE2 3.27Å; H29-E35 IonicContact NE2-OE1 2.54Å; H29-E35 IonicContact NE2-OE2 3.81Å; P31-E35 WeakPolarHBondContact CA-OE2 3.4Å; P31-E35 HydrophobicContact CB-CB 3.74Å; P31-E35 WeakPolarHBondContact CB-OE2 3.43Å; N32-E35 HydrophobicContact CB-CG 4.43Å; N32-E35 WeakPolarHBondContact O-CA 3.37Å; N32-E35 WeakPolarHBondContact O-CB 3.45Å; N32-E35 PolarHBondContact O-N 3.15Å; E35-R37 VanDerWaalsContact C-N 3.34Å; E35-R37 PolarHBondContact O-N 3.27Å; E35-M38 CarbonylContact O-C 3.58Å; E35-M38 WeakPolarHBondContact O-CB 3.44Å; E35-M38 PolarHBondContact O-N 3.35Å; E35-M38 VanDerWaalsContact O-N 3.15Å; E35-L39 WeakPolarHBondContact O-CB 3.5Å; E35-L39 WeakPolarHBondContact O-CD1 3.48Å; E35-L39 VanDerWaalsContact O-CG 3.29Å; E35-L39 WeakPolarHBondContact O-CG 3.48Å; E35-L39 PolarHBondContact O-N 3.48Å; E35-M60 HydrophobicContact CB-CE 3.85Å; E35-M60 HydrophobicContact CB-SD 4.33Å; E35-M60 HydrophobicContact CG-CE 4.37Å; E35-M60 VanDerWaalsContact OE2-CE 3.29Å; E35-M60 WeakPolarHBondContact OE2-CE 3.3Å
36R65.8Low61.6Low49 Ų4981.6 Ų81.619%0.18539%0.393CS..Hα-helixtrans-57.5-46.8169.2-72.1-173.4-170.2-155.9-1.8111.3P31 N32 M38 L39 V40 I51 N53P31-R36 HydrophobicContact CB-CG 4.44Å; P31-R36 HydrophobicContact CG-CG 4.38Å; P31-R36 PolarHBondContact O-NE 3.49Å; N32-R36 PolarHBondContact O-N 3.11Å; R36-M38 VanDerWaalsContact C-N 3.32Å; R36-M38 PolarHBondContact O-N 3.5Å; R36-L39 PolarHBondContact O-N 3.47Å; R36-V40 WeakPolarHBondContact O-CG2 3.29Å; R36-V40 PolarHBondContact O-N 2.87Å; R36-V40 VanDerWaalsContact O-N 3.12Å; R36-I51 HydrophobicContact CB-CD1 3.47Å; R36-I51 VanDerWaalsContact CB-CD1 3.47Å; R36-I51 HydrophobicContact CG-CD1 3.83Å; R36-I51 HydrophobicContact CG-CG2 4.27Å; R36-I51 WeakPolarHBondContact O-CD1 3.34Å; R36-N53 PolarHBondContact NH2-OD1 3.12Å
37R66.6Low61.6Low162 Ų16279.5 Ų79.561%0.61139%0.387SS*.Hα-helixtrans-61.2-41.1174-160.197.697.5-175.49.3111.7N33 L34 E35 V40 W41N33-R37 PolarHBondContact O-N 3.28Å; N33-R37 VanDerWaalsContact O-N 3.11Å; L34-R37 WeakPolarHBondContact O-CB 3.41Å; L34-R37 PolarHBondContact O-N 2.92Å; E35-R37 VanDerWaalsContact C-N 3.34Å; E35-R37 PolarHBondContact O-N 3.27Å; R37-V40 PolarHBondContact O-N 3.02Å; R37-W41 WeakPolarHBondContact O-CB 3.03Å; R37-W41 PolarHBondContact O-N 3.16Å
38M62.2Low61.7Low43 Ų4379.5 Ų79.521%0.21239%0.388CS..Hα-helixtrans-63.5-39.9177.5-174.9-178.5-177.400112.8L34 E35 R36 W41 T42 R64 M67L34-M38 WeakPolarHBondContact O-CB 3.2Å; L34-M38 PolarHBondContact O-N 2.76Å; E35-M38 CarbonylContact O-C 3.58Å; E35-M38 WeakPolarHBondContact O-CB 3.44Å; E35-M38 PolarHBondContact O-N 3.35Å; E35-M38 VanDerWaalsContact O-N 3.15Å; R36-M38 VanDerWaalsContact C-N 3.32Å; R36-M38 PolarHBondContact O-N 3.5Å; M38-W41 PolarHBondContact O-N 3.46Å; M38-T42 WeakPolarHBondContact O-CB 3.34Å; M38-T42 PolarHBondContact O-N 2.95Å; M38-T42 PolarHBondContact O-OG1 3.44Å; M38-R64 VanDerWaalsContact CE-CA 3.42Å; M38-R64 HydrophobicContact CE-CB 3.99Å; M38-R64 HydrophobicContact CE-CG 3.55Å; M38-R64 HydrophobicContact SD-CG 4.13Å; M38-M67 HydrophobicContact CB-CE 4.31Å; M38-M67 HydrophobicContact CE-CB 3.62Å; M38-M67 HydrophobicContact CE-CE 4.09Å; M38-M67 HydrophobicContact CE-CG 3.93Å; M38-M67 HydrophobicContact CG-CE 3.42Å; M38-M67 VanDerWaalsContact CG-CE 3.42Å; M38-M67 WeakPolarHBondContact O-CE 3.46Å
39L66.5Low61.9Low0 Ų080.1 Ų80.10%040%0.4CS..Hα-helixtrans-64.9-42.2177.1-79.3158.4000112P31 E35 R36 K44 Y45 I51 V55 V59 M60 C63P31-L39 HydrophobicContact CB-CD1 4.22Å; P31-L39 HydrophobicContact CG-CD1 4.44Å; E35-L39 WeakPolarHBondContact O-CB 3.5Å; E35-L39 WeakPolarHBondContact O-CD1 3.48Å; E35-L39 VanDerWaalsContact O-CG 3.29Å; E35-L39 WeakPolarHBondContact O-CG 3.48Å; E35-L39 PolarHBondContact O-N 3.48Å; R36-L39 PolarHBondContact O-N 3.47Å; L39-K44 PolarHBondContact O-N 3.09Å; L39-Y45 HydrophobicContact CB-CD2 4.16Å; L39-Y45 HydrophobicContact CD2-CD2 4.32Å; L39-Y45 HydrophobicContact CD2-CE2 4.13Å; L39-I51 HydrophobicContact CB-CD1 4.44Å; L39-I51 HydrophobicContact CD1-CG2 3.92Å; L39-V55 HydrophobicContact CD1-CG1 4.46Å; L39-V55 HydrophobicContact CD1-CG2 3.94Å; L39-V55 HydrophobicContact CD2-CG1 4.31Å; L39-V59 HydrophobicContact CD2-CG1 4.42Å; L39-M60 HydrophobicContact CD1-CE 3.93Å; L39-M60 HydrophobicContact CG-CE 4.36Å; L39-C63 HydrophobicContact CD2-CB 4.17Å
40V67.6Low62Low41 Ų4181.7 Ų81.725%0.24841%0.408CS..Hα-helixtrans-66.4-44.9173176.20000110.4R36 R37 T42 G43 Q48 I51R36-V40 WeakPolarHBondContact O-CG2 3.29Å; R36-V40 PolarHBondContact O-N 2.87Å; R36-V40 VanDerWaalsContact O-N 3.12Å; R37-V40 PolarHBondContact O-N 3.02Å; V40-T42 VanDerWaalsContact C-N 3.29Å; V40-T42 PolarHBondContact O-N 3.4Å; V40-G43 WeakPolarHBondContact O-CA 3.38Å; V40-G43 PolarHBondContact O-N 3.48Å; V40-Q48 HydrophobicContact CG2-CG 4.24Å; V40-I51 HydrophobicContact CG2-CD1 3.78Å; V40-I51 HydrophobicContact CG2-CG1 4.33Å
41W63.8Low62.2Low134 Ų13476.5 Ų76.551%0.50838%0.383SS..Hα-helixtrans-66.9-30.8-178.5-170.546.8000112.9R37 M38 G43 M67 R70 L71R37-W41 WeakPolarHBondContact O-CB 3.03Å; R37-W41 PolarHBondContact O-N 3.16Å; M38-W41 PolarHBondContact O-N 3.46Å; W41-G43 PolarHBondContact O-N 3.09Å; W41-M67 HydrophobicContact CB-CE 4.03Å; W41-M67 HydrophobicContact CD2-CE 3.73Å; W41-M67 HydrophobicContact CD2-SD 3.72Å; W41-M67 HydrophobicContact CE3-CE 3.04Å; W41-M67 HydrophobicContact CE3-CG 4.21Å; W41-M67 HydrophobicContact CE3-SD 3.05Å; W41-M67 HydrophobicContact CG-CE 4.2Å; W41-M67 HydrophobicContact CH2-SD 3.67Å; W41-M67 HydrophobicContact CZ2-SD 4.33Å; W41-M67 HydrophobicContact CZ3-CE 3.63Å; W41-M67 HydrophobicContact CZ3-CG 3.79Å; W41-M67 HydrophobicContact CZ3-SD 3Å; W41-M67 WeakPolarHBondContact CZ3-SD 3.48Å; W41-R70 PolarHBondContact O-NH1 3.4Å; W41-L71 HydrophobicContact CH2-CD1 4.5Å; W41-L71 HydrophobicContact CH2-CD2 3.86Å; W41-L71 HydrophobicContact CH2-CG 3.94Å; W41-L71 HydrophobicContact CZ3-CD1 4.49Å; W41-L71 HydrophobicContact CZ3-CD2 4.47Å; W41-L71 HydrophobicContact CZ3-CG 4.41Å
42T65.3Low62.3Low2 Ų279 Ų791%0.01240%0.4CS..THydrogen-bonded Turntrans-73.3-5.8172.3-53.60000112.8M38 V40 K44 C63 K66 M67 R70M38-T42 WeakPolarHBondContact O-CB 3.34Å; M38-T42 PolarHBondContact O-N 2.95Å; M38-T42 PolarHBondContact O-OG1 3.44Å; V40-T42 VanDerWaalsContact C-N 3.29Å; V40-T42 PolarHBondContact O-N 3.4Å; T42-K44 VanDerWaalsContact C-N 3.28Å; T42-K44 PolarHBondContact O-N 2.85Å; T42-C63 VanDerWaalsContact CB-SG 3.51Å; T42-C63 PolarHBondContact OG1-SG 2.79Å; T42-K66 HydrophobicContact CG2-CB 3.45Å; T42-K66 VanDerWaalsContact CG2-CB 3.45Å; T42-K66 HydrophobicContact CG2-CD 3.97Å; T42-K66 HydrophobicContact CG2-CG 4.36Å; T42-M67 WeakPolarHBondContact OG1-CE 3.4Å; T42-R70 PolarHBondContact O-NH1 3.37Å; T42-R70 VanDerWaalsContact O-NH1 3.09Å; T42-R70 PolarHBondContact O-NH2 2.97Å; T42-R70 VanDerWaalsContact O-NH2 3.09Å
43G64.2Low62.1Low56 Ų5678.7 Ų78.758%0.57740%0.398SS*.THydrogen-bonded Turntrans70.622.817900000113.4V40 W41V40-G43 WeakPolarHBondContact O-CA 3.38Å; V40-G43 PolarHBondContact O-N 3.48Å; W41-G43 PolarHBondContact O-N 3.09Å
44K63.4Low61.6Low97 Ų9779.8 Ų79.842%0.42240%0.397SS..SBendtrans-79.4-32.3173.5-92.1-82.5178.2169.80111.7L39 T42L39-K44 PolarHBondContact O-N 3.09Å; T42-K44 VanDerWaalsContact C-N 3.28Å; T42-K44 PolarHBondContact O-N 2.85Å
45Y61Low61.7Low56 Ų5673.4 Ų73.422%0.2236%0.364CS..SBendtrans-130.4146.3175.6-63.2-77.7000109.9L39 E50 I51 P52L39-Y45 HydrophobicContact CB-CD2 4.16Å; L39-Y45 HydrophobicContact CD2-CD2 4.32Å; L39-Y45 HydrophobicContact CD2-CE2 4.13Å; Y45-E50 HydrophobicContact CD1-CG 4.47Å; Y45-I51 HydrophobicContact CD2-CG1 4.26Å; Y45-I51 HydrophobicContact CD2-CG2 4.49Å; Y45-I51 HydrophobicContact CG-CG1 4.21Å; Y45-P52 HydrophobicContact CE1-CG 4.46Å
46K57.7Low61.6Low195 Ų19574.1 Ų74.185%0.84837%0.373SS*.SBendtrans-81.5-28-173.4-165.6172.1-177.4-177.50112.9E50K46-E50 PolarHBondContact N-OE2 3.03Å
47S54.4Low61.6Low52 Ų5273.9 Ų73.936%0.36438%0.375SS..SBendtrans-142.2154.6-178.6178.10000111.3S49 E50S47-S49 WeakPolarHBondContact CB-OG 3.46Å; S47-S49 PolarHBondContact O-N 3.41Å; S47-S49 VanDerWaalsContact O-N 3.15Å; S47-S49 PolarHBondContact OG-N 3.19Å; S47-S49 PolarHBondContact OG-OG 2.88Å; S47-E50 PolarHBondContact O-N 3.47Å; S47-E50 VanDerWaalsContact O-N 3.15Å
48Q58Low61.8Low93 Ų9370.7 Ų70.744%0.43537%0.37SS..G310 helixtrans-55.9-26.5171-68.5179.395.300112.4V40V40-Q48 HydrophobicContact CG2-CG 4.24Å
49S58.1Low62.3Low109 Ų10970.6 Ų70.676%0.76237%0.371SS*.G310 helixtrans-78.1-20.4-179.159.50000114.4S47 I51S47-S49 WeakPolarHBondContact CB-OG 3.46Å; S47-S49 PolarHBondContact O-N 3.41Å; S47-S49 VanDerWaalsContact O-N 3.15Å; S47-S49 PolarHBondContact OG-N 3.19Å; S47-S49 PolarHBondContact OG-OG 2.88Å; S49-I51 VanDerWaalsContact C-N 3.35Å
50E60.4Low62.5Low118 Ų11870.9 Ų70.955%0.55137%0.373SS*.G310 helixtrans-90.4-4.5-179.3-159.9-173.1171.800112.1Y45 K46 S47 P52Y45-E50 HydrophobicContact CD1-CG 4.47Å; K46-E50 PolarHBondContact N-OE2 3.03Å; S47-E50 PolarHBondContact O-N 3.47Å; S47-E50 VanDerWaalsContact O-N 3.15Å; E50-P52 VanDerWaalsContact O-CD 3.27Å; E50-P52 WeakPolarHBondContact O-CD 3.13Å
51I59.2Low62.9Low9 Ų975 Ų755%0.04639%0.389CS..SBendtrans-76.9118.3-175.2-51.6172.4000108R36 L39 V40 Y45 S49 N53 V55R36-I51 HydrophobicContact CB-CD1 3.47Å; R36-I51 VanDerWaalsContact CB-CD1 3.47Å; R36-I51 HydrophobicContact CG-CD1 3.83Å; R36-I51 HydrophobicContact CG-CG2 4.27Å; R36-I51 WeakPolarHBondContact O-CD1 3.34Å; L39-I51 HydrophobicContact CB-CD1 4.44Å; L39-I51 HydrophobicContact CD1-CG2 3.92Å; V40-I51 HydrophobicContact CG2-CD1 3.78Å; V40-I51 HydrophobicContact CG2-CG1 4.33Å; Y45-I51 HydrophobicContact CD2-CG1 4.26Å; Y45-I51 HydrophobicContact CD2-CG2 4.49Å; Y45-I51 HydrophobicContact CG-CG1 4.21Å; S49-I51 VanDerWaalsContact C-N 3.35Å; I51-N53 PolarHBondContact O-N 2.81Å; I51-V55 HydrophobicContact CG2-CG2 4.12Å
52P61.4Low63.5Low55 Ų5576.2 Ų76.236%0.35739%0.394SS..  trans-59.3139172.924-31.1000109.4Y45 E50 F54 V55Y45-P52 HydrophobicContact CE1-CG 4.46Å; E50-P52 VanDerWaalsContact O-CD 3.27Å; E50-P52 WeakPolarHBondContact O-CD 3.13Å; P52-F54 PolarHBondContact O-N 2.88Å; P52-V55 HydrophobicContact CG-CG2 4.23Å
53N58.3Low63.9Low90 Ų9076.1 Ų76.148%0.48139%0.393SS..SBendtrans-58.6-20.5178.3-68.5-54.4000112.5P31 R36 I51P31-N53 WeakPolarHBondContact CD-O 3.32Å; R36-N53 PolarHBondContact NH2-OD1 3.12Å; I51-N53 PolarHBondContact O-N 2.81Å
54F56.2Low64.5Low138 Ų13879.9 Ų79.961%0.60539%0.39SS*.  trans-115.7115.8173.4-62.3-77.9000109.4P52P52-F54 PolarHBondContact O-N 2.88Å
55V62.1Low65.5Low4 Ų479.2 Ų79.22%0.02439%0.391CS..EExtended strand (participates in β ladder)trans-112.2121.8171.3176.40000107P31 L39 I51 P52 V59 M60P31-V55 HydrophobicContact CG-CB 4.19Å; P31-V55 HydrophobicContact CG-CG2 3.88Å; L39-V55 HydrophobicContact CD1-CG1 4.46Å; L39-V55 HydrophobicContact CD1-CG2 3.94Å; L39-V55 HydrophobicContact CD2-CG1 4.31Å; I51-V55 HydrophobicContact CG2-CG2 4.12Å; P52-V55 HydrophobicContact CG-CG2 4.23Å; V55-V59 HydrophobicContact CG1-CB 3.64Å; V55-V59 HydrophobicContact CG1-CG1 3.71Å; V55-M60 HydrophobicContact CG1-CE 4.33Å
56S62.2Low66.5Low53 Ų5381.1 Ų81.137%0.37140%0.4SS..EExtended strand (participates in β ladder)trans-59.4140.3175.5178.80000110.3D58 V59 M60S56-D58 PolarHBondContact O-N 2.84Å; S56-D58 VanDerWaalsContact O-N 3.1Å; S56-V59 WeakPolarHBondContact O-CA 3.08Å; S56-V59 WeakPolarHBondContact O-CB 3.33Å; S56-V59 PolarHBondContact O-N 3.05Å; S56-M60 PolarHBondContact O-N 2.92Å
57Q65.5Low67.5Low45 Ų4572.3 Ų72.321%0.2136%0.362CS..Hα-helixtrans-49.6-36.5177-72.8-70.711.100113.2I26 K27 V59 M60 E61I26-Q57 WeakPolarHBondContact O-CG 3.36Å; I26-Q57 PolarHBondContact O-NE2 3.31Å; K27-Q57 WeakPolarHBondContact O-CG 3.43Å; K27-Q57 PolarHBondContact O-N 2.91Å; K27-Q57 VanDerWaalsContact O-N 3.08Å; Q57-V59 VanDerWaalsContact C-N 3.25Å; Q57-V59 PolarHBondContact O-N 2.7Å; Q57-M60 CarbonylContact O-C 3.55Å; Q57-M60 WeakPolarHBondContact O-CA 3.48Å; Q57-M60 WeakPolarHBondContact O-CB 3.31Å; Q57-M60 PolarHBondContact O-N 2.85Å; Q57-E61 WeakPolarHBondContact O-CG 3.34Å; Q57-E61 PolarHBondContact O-N 3.35Å
58D71.1Confident69.1Low95 Ų9576.8 Ų76.851%0.50837%0.371SS..Hα-helixtrans-57.5-38.5175.7-88.620000112.7S56 R62S56-D58 PolarHBondContact O-N 2.84Å; S56-D58 VanDerWaalsContact O-N 3.1Å; D58-R62 WeakPolarHBondContact O-CB 3.42Å; D58-R62 WeakPolarHBondContact O-CD 3.4Å; D58-R62 WeakPolarHBondContact O-CG 3.36Å; D58-R62 PolarHBondContact O-N 2.91Å; D58-R62 VanDerWaalsContact O-N 3.15Å
59V72Confident70.6Confident40 Ų4076.4 Ų76.424%0.24237%0.371CS..Hα-helixtrans-71.9-38.8177.4-179.90000109.9L39 V55 S56 Q57 C63L39-V59 HydrophobicContact CD2-CG1 4.42Å; V55-V59 HydrophobicContact CG1-CB 3.64Å; V55-V59 HydrophobicContact CG1-CG1 3.71Å; S56-V59 WeakPolarHBondContact O-CA 3.08Å; S56-V59 WeakPolarHBondContact O-CB 3.33Å; S56-V59 PolarHBondContact O-N 3.05Å; Q57-V59 VanDerWaalsContact C-N 3.25Å; Q57-V59 PolarHBondContact O-N 2.7Å; V59-C63 WeakPolarHBondContact O-CB 3.41Å; V59-C63 PolarHBondContact O-N 3.4Å
60M71.6Confident71.9Confident7 Ų776.3 Ų76.33%0.03435%0.354CS..Hα-helixtrans-65.5-44177-167.258.767.500111.9P31 E35 L39 V55 S56 Q57 C63 R64P31-M60 HydrophobicContact CB-CE 3.89Å; E35-M60 HydrophobicContact CB-CE 3.85Å; E35-M60 HydrophobicContact CB-SD 4.33Å; E35-M60 HydrophobicContact CG-CE 4.37Å; E35-M60 VanDerWaalsContact OE2-CE 3.29Å; E35-M60 WeakPolarHBondContact OE2-CE 3.3Å; L39-M60 HydrophobicContact CD1-CE 3.93Å; L39-M60 HydrophobicContact CG-CE 4.36Å; V55-M60 HydrophobicContact CG1-CE 4.33Å; S56-M60 PolarHBondContact O-N 2.92Å; Q57-M60 CarbonylContact O-C 3.55Å; Q57-M60 WeakPolarHBondContact O-CA 3.48Å; Q57-M60 WeakPolarHBondContact O-CB 3.31Å; Q57-M60 PolarHBondContact O-N 2.85Å; M60-C63 VanDerWaalsContact O-CB 3.31Å; M60-C63 WeakPolarHBondContact O-CB 3.42Å; M60-C63 PolarHBondContact O-N 2.89Å; M60-R64 VanDerWaalsContact O-CG 3.3Å; M60-R64 WeakPolarHBondContact O-CG 3.37Å; M60-R64 PolarHBondContact O-N 2.91Å
61E74.3Confident73.3Confident126 Ų12674.8 Ų74.859%0.58935%0.349SS*.Hα-helixtrans-62.5-45.5176.7-72.5-174.4179.700111.7Q57 C63 R64 N65Q57-E61 WeakPolarHBondContact O-CG 3.34Å; Q57-E61 PolarHBondContact O-N 3.35Å; E61-C63 VanDerWaalsContact C-N 3.29Å; E61-C63 PolarHBondContact O-N 2.87Å; E61-R64 PolarHBondContact O-N 3.09Å; E61-N65 PolarHBondContact O-N 3.25Å
62R76.7Confident74.9Confident161 Ų16176.6 Ų76.661%0.60837%0.365SS*.Hα-helixtrans-62.4-37.8174.3-70.4173.7-167.8-121.88.5111.8D58 N65 K66D58-R62 WeakPolarHBondContact O-CB 3.42Å; D58-R62 WeakPolarHBondContact O-CD 3.4Å; D58-R62 WeakPolarHBondContact O-CG 3.36Å; D58-R62 PolarHBondContact O-N 2.91Å; D58-R62 VanDerWaalsContact O-N 3.15Å; R62-N65 PolarHBondContact O-N 2.9Å; R62-K66 WeakPolarHBondContact O-CG 3.41Å; R62-K66 PolarHBondContact O-N 3.44Å
63C75.4Confident76.5Confident0 Ų078.7 Ų78.70%037%0.373CS..Hα-helixtrans-62-50.7175.3-173.80000110.8L39 T42 V59 M60 E61 N65 K66 M67L39-C63 HydrophobicContact CD2-CB 4.17Å; T42-C63 VanDerWaalsContact CB-SG 3.51Å; T42-C63 PolarHBondContact OG1-SG 2.79Å; V59-C63 WeakPolarHBondContact O-CB 3.41Å; V59-C63 PolarHBondContact O-N 3.4Å; M60-C63 VanDerWaalsContact O-CB 3.31Å; M60-C63 WeakPolarHBondContact O-CB 3.42Å; M60-C63 PolarHBondContact O-N 2.89Å; E61-C63 VanDerWaalsContact C-N 3.29Å; E61-C63 PolarHBondContact O-N 2.87Å; C63-N65 VanDerWaalsContact C-N 3.32Å; C63-N65 PolarHBondContact O-N 3.43Å; C63-K66 PolarHBondContact O-N 3.37Å; C63-M67 WeakPolarHBondContact O-CB 3.23Å; C63-M67 PolarHBondContact O-N 3.36Å
64R76.5Confident78.2Confident135 Ų13578.2 Ų78.251%0.50937%0.37SS..Hα-helixtrans-57.7-40.9175.5-68.517471.397.21.7112.8M38 M60 E61 M67 R68M38-R64 VanDerWaalsContact CE-CA 3.42Å; M38-R64 HydrophobicContact CE-CB 3.99Å; M38-R64 HydrophobicContact CE-CG 3.55Å; M38-R64 HydrophobicContact SD-CG 4.13Å; M60-R64 VanDerWaalsContact O-CG 3.3Å; M60-R64 WeakPolarHBondContact O-CG 3.37Å; M60-R64 PolarHBondContact O-N 2.91Å; E61-R64 PolarHBondContact O-N 3.09Å; R64-M67 WeakPolarHBondContact O-CB 3.42Å; R64-M67 PolarHBondContact O-N 3.15Å; R64-R68 PolarHBondContact O-N 3.31Å; R64-R68 VanDerWaalsContact O-N 3.15Å
65N82.8Confident80.1Confident82 Ų8276.7 Ų76.744%0.43937%0.366SS..Hα-helixtrans-67.2-47.5178.1-16947.8000112.4E61 R62 C63 M67 R68 I69E61-N65 PolarHBondContact O-N 3.25Å; R62-N65 PolarHBondContact O-N 2.9Å; C63-N65 VanDerWaalsContact C-N 3.32Å; C63-N65 PolarHBondContact O-N 3.43Å; N65-M67 PolarHBondContact O-N 2.99Å; N65-R68 PolarHBondContact O-N 3.31Å; N65-R68 PolarHBondContact OD1-NH1 3.24Å; N65-I69 WeakPolarHBondContact O-CG1 3.41Å; N65-I69 PolarHBondContact O-N 2.97Å; N65-I69 VanDerWaalsContact O-N 3.15Å
66K82Confident81.7Confident97 Ų9781.9 Ų81.942%0.42239%0.392SS..Hα-helixtrans-58.5-37.9175-77.3-176.8175.7-165.60111.9T42 R62 C63 I69 R70T42-K66 HydrophobicContact CG2-CB 3.45Å; T42-K66 VanDerWaalsContact CG2-CB 3.45Å; T42-K66 HydrophobicContact CG2-CD 3.97Å; T42-K66 HydrophobicContact CG2-CG 4.36Å; R62-K66 WeakPolarHBondContact O-CG 3.41Å; R62-K66 PolarHBondContact O-N 3.44Å; C63-K66 PolarHBondContact O-N 3.37Å; K66-I69 PolarHBondContact O-N 3.29Å; K66-R70 WeakPolarHBondContact O-CG 3.23Å; K66-R70 PolarHBondContact O-N 2.91Å
67M80.4Confident83.3Confident10 Ų1081.9 Ų81.95%0.04940%0.396CS..Hα-helixtrans-61-46.8177.5-16564.590.500112.4M38 W41 T42 C63 R64 N65 I69 R70 L71M38-M67 HydrophobicContact CB-CE 4.31Å; M38-M67 HydrophobicContact CE-CB 3.62Å; M38-M67 HydrophobicContact CE-CE 4.09Å; M38-M67 HydrophobicContact CE-CG 3.93Å; M38-M67 HydrophobicContact CG-CE 3.42Å; M38-M67 VanDerWaalsContact CG-CE 3.42Å; M38-M67 WeakPolarHBondContact O-CE 3.46Å; W41-M67 HydrophobicContact CB-CE 4.03Å; W41-M67 HydrophobicContact CD2-CE 3.73Å; W41-M67 HydrophobicContact CD2-SD 3.72Å; W41-M67 HydrophobicContact CE3-CE 3.04Å; W41-M67 HydrophobicContact CE3-CG 4.21Å; W41-M67 HydrophobicContact CE3-SD 3.05Å; W41-M67 HydrophobicContact CG-CE 4.2Å; W41-M67 HydrophobicContact CH2-SD 3.67Å; W41-M67 HydrophobicContact CZ2-SD 4.33Å; W41-M67 HydrophobicContact CZ3-CE 3.63Å; W41-M67 HydrophobicContact CZ3-CG 3.79Å; W41-M67 HydrophobicContact CZ3-SD 3Å; W41-M67 WeakPolarHBondContact CZ3-SD 3.48Å; T42-M67 WeakPolarHBondContact OG1-CE 3.4Å; C63-M67 WeakPolarHBondContact O-CB 3.23Å; C63-M67 PolarHBondContact O-N 3.36Å; R64-M67 WeakPolarHBondContact O-CB 3.42Å; R64-M67 PolarHBondContact O-N 3.15Å; N65-M67 PolarHBondContact O-N 2.99Å; M67-I69 VanDerWaalsContact C-N 3.31Å; M67-I69 PolarHBondContact O-N 3.26Å; M67-R70 PolarHBondContact O-N 3.4Å; M67-L71 HydrophobicContact CG-CD1 3.94Å; M67-L71 WeakPolarHBondContact O-CB 3Å; M67-L71 WeakPolarHBondContact O-CG 3.48Å; M67-L71 PolarHBondContact O-N 3.2Å
68R86.9Confident84.9Confident146 Ų14684.6 Ų84.655%0.55141%0.411SS*.Hα-helixtrans-59.8-43.3178.4-169-176.9-59.8106.1-2111.7R64 N65 L71 A72R64-R68 PolarHBondContact O-N 3.31Å; R64-R68 VanDerWaalsContact O-N 3.15Å; N65-R68 PolarHBondContact O-N 3.31Å; N65-R68 PolarHBondContact OD1-NH1 3.24Å; R68-L71 PolarHBondContact O-N 3.42Å; R68-A72 WeakPolarHBondContact O-CB 3.46Å; R68-A72 PolarHBondContact O-N 3.33Å
69I89.2Confident86.1Confident84 Ų8484.3 Ų84.343%0.43141%0.413SS..Hα-helixtrans-65.1-42.1178.6-62.4164.4000110.6N65 K66 M67 A72 N73N65-I69 WeakPolarHBondContact O-CG1 3.41Å; N65-I69 PolarHBondContact O-N 2.97Å; N65-I69 VanDerWaalsContact O-N 3.15Å; K66-I69 PolarHBondContact O-N 3.29Å; M67-I69 VanDerWaalsContact C-N 3.31Å; M67-I69 PolarHBondContact O-N 3.26Å; I69-A72 PolarHBondContact O-N 3.15Å; I69-N73 WeakPolarHBondContact O-CB 3.39Å; I69-N73 VanDerWaalsContact O-CG 3.31Å; I69-N73 PolarHBondContact O-N 2.93Å; I69-N73 PolarHBondContact O-OD1 2.93Å
70R86.7Confident87.3Confident108 Ų10885.2 Ų85.241%0.40843%0.425SS..Hα-helixtrans-63.2-45.9176.1-74.9-178.9174.6-167.9-0.1112.3W41 T42 K66 M67 N73 I74W41-R70 PolarHBondContact O-NH1 3.4Å; T42-R70 PolarHBondContact O-NH1 3.37Å; T42-R70 VanDerWaalsContact O-NH1 3.09Å; T42-R70 PolarHBondContact O-NH2 2.97Å; T42-R70 VanDerWaalsContact O-NH2 3.09Å; K66-R70 WeakPolarHBondContact O-CG 3.23Å; K66-R70 PolarHBondContact O-N 2.91Å; M67-R70 PolarHBondContact O-N 3.4Å; R70-N73 PolarHBondContact O-N 3.4Å; R70-I74 VanDerWaalsContact O-CG1 3.28Å; R70-I74 WeakPolarHBondContact O-CG1 3.46Å; R70-I74 PolarHBondContact O-N 2.94Å
71L89.3Confident88.5Confident86 Ų8688.9 Ų88.945%0.4545%0.447SS..Hα-helixtrans-58.4-46.8175.4-80.1157.7000111.4W41 M67 R68 N73 I74 M75W41-L71 HydrophobicContact CH2-CD1 4.5Å; W41-L71 HydrophobicContact CH2-CD2 3.86Å; W41-L71 HydrophobicContact CH2-CG 3.94Å; W41-L71 HydrophobicContact CZ3-CD1 4.49Å; W41-L71 HydrophobicContact CZ3-CD2 4.47Å; W41-L71 HydrophobicContact CZ3-CG 4.41Å; M67-L71 HydrophobicContact CG-CD1 3.94Å; M67-L71 WeakPolarHBondContact O-CB 3Å; M67-L71 WeakPolarHBondContact O-CG 3.48Å; M67-L71 PolarHBondContact O-N 3.2Å; R68-L71 PolarHBondContact O-N 3.42Å; L71-N73 PolarHBondContact O-N 3.41Å; L71-I74 PolarHBondContact O-N 3.43Å; L71-M75 WeakPolarHBondContact O-CG 3.28Å; L71-M75 PolarHBondContact O-N 3.3Å
72A93.4Very high89.6Confident46 Ų4684.7 Ų84.738%0.3844%0.438SS..Hα-helixtrans-61.5-44.7177.600000111.8R68 I69 I74 M75 I76R68-A72 WeakPolarHBondContact O-CB 3.46Å; R68-A72 PolarHBondContact O-N 3.33Å; I69-A72 PolarHBondContact O-N 3.15Å; A72-I74 VanDerWaalsContact C-N 3.33Å; A72-I74 PolarHBondContact O-N 3.29Å; A72-M75 PolarHBondContact O-N 3.5Å; A72-M75 VanDerWaalsContact O-N 3.16Å; A72-I76 VanDerWaalsContact O-CG1 3.27Å; A72-I76 WeakPolarHBondContact O-CG1 3.32Å; A72-I76 PolarHBondContact O-N 3.5Å
73N93.6Very high90.5Very high99 Ų9980.5 Ų80.553%0.52943%0.433SS..Hα-helixtrans-62.6-39.4177.4-746.1000112.3I69 R70 L71 I76 A77I69-N73 WeakPolarHBondContact O-CB 3.39Å; I69-N73 VanDerWaalsContact O-CG 3.31Å; I69-N73 PolarHBondContact O-N 2.93Å; I69-N73 PolarHBondContact O-OD1 2.93Å; R70-N73 PolarHBondContact O-N 3.4Å; L71-N73 PolarHBondContact O-N 3.41Å; N73-I76 PolarHBondContact O-N 2.97Å; N73-A77 WeakPolarHBondContact O-CB 3.45Å; N73-A77 PolarHBondContact O-N 3.41Å
74I93.8Very high91.5Very high81 Ų8183.5 Ų83.542%0.41546%0.457SS..Hα-helixtrans-63-43.7174.1-69164.9000110.4R70 L71 A72 A77 L78R70-I74 VanDerWaalsContact O-CG1 3.28Å; R70-I74 WeakPolarHBondContact O-CG1 3.46Å; R70-I74 PolarHBondContact O-N 2.94Å; L71-I74 PolarHBondContact O-N 3.43Å; A72-I74 VanDerWaalsContact C-N 3.33Å; A72-I74 PolarHBondContact O-N 3.29Å; I74-A77 PolarHBondContact O-N 3.32Å; I74-L78 HydrophobicContact CG2-CD1 3.78Å; I74-L78 HydrophobicContact CG2-CG 4.31Å; I74-L78 WeakPolarHBondContact O-CB 3.35Å; I74-L78 WeakPolarHBondContact O-CG 3.31Å; I74-L78 PolarHBondContact O-N 2.89Å
75M95.6Very high92.4Very high106 Ų10682.3 Ų82.352%0.52246%0.46SS..Hα-helixtrans-62.9-44.6177.6-69.8-78.577.700112.4L71 A72 A77 L78 T79L71-M75 WeakPolarHBondContact O-CG 3.28Å; L71-M75 PolarHBondContact O-N 3.3Å; A72-M75 PolarHBondContact O-N 3.5Å; A72-M75 VanDerWaalsContact O-N 3.16Å; M75-A77 VanDerWaalsContact C-N 3.31Å; M75-A77 PolarHBondContact O-N 3.02Å; M75-L78 HydrophobicContact CE-CB 4.34Å; M75-L78 HydrophobicContact CE-CD1 3.43Å; M75-L78 VanDerWaalsContact CE-CD1 3.43Å; M75-L78 HydrophobicContact CE-CG 4.47Å; M75-L78 PolarHBondContact O-N 3.16Å; M75-T79 WeakPolarHBondContact O-CB 3.48Å; M75-T79 PolarHBondContact O-N 2.91Å; M75-T79 PolarHBondContact O-OG1 3.32Å
76I96.3Very high92.8Very high112 Ų11285.5 Ų85.557%0.57447%0.474SS*.Hα-helixtrans-58.5-46.4176-66.6162.1000110.4A72 N73 T79 A80A72-I76 VanDerWaalsContact O-CG1 3.27Å; A72-I76 WeakPolarHBondContact O-CG1 3.32Å; A72-I76 PolarHBondContact O-N 3.5Å; N73-I76 PolarHBondContact O-N 2.97Å; I76-T79 PolarHBondContact O-N 2.9Å; I76-A80 WeakPolarHBondContact O-CB 3.27Å; I76-A80 PolarHBondContact O-N 3.44Å
77A97.1Very high93.3Very high54 Ų5485.3 Ų85.345%0.44648%0.481SS..Hα-helixtrans-62.8-45.2178.700000112.1N73 I74 M75 T79 A80 V81N73-A77 WeakPolarHBondContact O-CB 3.45Å; N73-A77 PolarHBondContact O-N 3.41Å; I74-A77 PolarHBondContact O-N 3.32Å; M75-A77 VanDerWaalsContact C-N 3.31Å; M75-A77 PolarHBondContact O-N 3.02Å; A77-T79 PolarHBondContact O-N 2.89Å; A77-A80 PolarHBondContact O-N 3.04Å; A77-V81 VanDerWaalsContact O-CG2 3.31Å; A77-V81 WeakPolarHBondContact O-CG2 3.45Å; A77-V81 PolarHBondContact O-N 3.47Å
78L97.1Very high93.8Very high101 Ų10192.4 Ų92.453%0.52951%0.508SS..Hα-helixtrans-63.7-41178.1-73.6172.5000112.2I74 M75 V81 G82I74-L78 HydrophobicContact CG2-CD1 3.78Å; I74-L78 HydrophobicContact CG2-CG 4.31Å; I74-L78 WeakPolarHBondContact O-CB 3.35Å; I74-L78 WeakPolarHBondContact O-CG 3.31Å; I74-L78 PolarHBondContact O-N 2.89Å; M75-L78 HydrophobicContact CE-CB 4.34Å; M75-L78 HydrophobicContact CE-CD1 3.43Å; M75-L78 VanDerWaalsContact CE-CD1 3.43Å; M75-L78 HydrophobicContact CE-CG 4.47Å; M75-L78 PolarHBondContact O-N 3.16Å; L78-V81 PolarHBondContact O-N 3.42Å; L78-G82 PolarHBondContact O-N 2.9Å
79T96.7Very high93.6Very high89 Ų8988.6 Ų88.655%0.54650%0.504SS..Hα-helixtrans-63.3-45.5174.9-59.70000111.2M75 I76 A77 V81 G82 C83M75-T79 WeakPolarHBondContact O-CB 3.48Å; M75-T79 PolarHBondContact O-N 2.91Å; M75-T79 PolarHBondContact O-OG1 3.32Å; I76-T79 PolarHBondContact O-N 2.9Å; A77-T79 PolarHBondContact O-N 2.89Å; T79-V81 VanDerWaalsContact C-N 3.34Å; T79-V81 PolarHBondContact O-N 2.97Å; T79-G82 PolarHBondContact O-N 3.42Å; T79-C83 PolarHBondContact O-N 3.2Å; T79-C83 PolarHBondContact O-SG 3.18Å
80A97.2Very high93.4Very high59 Ų5986.6 Ų86.649%0.48850%0.504SS..Hα-helixtrans-60.6-42.3177.800000112.2I76 A77 C83 A84I76-A80 WeakPolarHBondContact O-CB 3.27Å; I76-A80 PolarHBondContact O-N 3.44Å; A77-A80 PolarHBondContact O-N 3.04Å; A80-C83 PolarHBondContact O-N 2.94Å; A80-A84 PolarHBondContact O-N 3.43Å
81V97.3Very high93.3Very high84 Ų8487.9 Ų87.951%0.50951%0.512SS..Hα-helixtrans-63.4-44.4174.5171.90000111.1A77 L78 T79 C83 A84 I85A77-V81 VanDerWaalsContact O-CG2 3.31Å; A77-V81 WeakPolarHBondContact O-CG2 3.45Å; A77-V81 PolarHBondContact O-N 3.47Å; L78-V81 PolarHBondContact O-N 3.42Å; T79-V81 VanDerWaalsContact C-N 3.34Å; T79-V81 PolarHBondContact O-N 2.97Å; V81-C83 VanDerWaalsContact C-N 3.35Å; V81-C83 PolarHBondContact O-N 3.4Å; V81-A84 PolarHBondContact O-N 2.96Å; V81-I85 HydrophobicContact CG1-CD1 3.83Å; V81-I85 HydrophobicContact CG1-CG1 4.43Å; V81-I85 WeakPolarHBondContact O-CG1 3.4Å; V81-I85 PolarHBondContact O-N 3.27Å
82G96.9Very high92.9Very high38 Ų3889.1 Ų89.139%0.39252%0.516SS..Hα-helixtrans-58.4-44.2175.600000112.6L78 T79 I85 M86L78-G82 PolarHBondContact O-N 2.9Å; T79-G82 PolarHBondContact O-N 3.42Å; G82-I85 PolarHBondContact O-N 3.43Å; G82-M86 WeakPolarHBondContact O-CB 3.36Å; G82-M86 PolarHBondContact O-N 2.95Å
83C96.7Very high92Very high74 Ų7489.4 Ų89.450%0.552%0.519SS..Hα-helixtrans-61.5-44.1174-65.90000111.9T79 A80 V81 I85 M86 V87T79-C83 PolarHBondContact O-N 3.2Å; T79-C83 PolarHBondContact O-SG 3.18Å; A80-C83 PolarHBondContact O-N 2.94Å; V81-C83 VanDerWaalsContact C-N 3.35Å; V81-C83 PolarHBondContact O-N 3.4Å; C83-I85 PolarHBondContact O-N 2.96Å; C83-M86 PolarHBondContact O-N 2.89Å; C83-V87 WeakPolarHBondContact O-CG2 3.37Å; C83-V87 PolarHBondContact O-N 2.86Å
84A95.4Very high91Very high62 Ų6288.4 Ų88.451%0.51252%0.524SS..Hα-helixtrans-62.6-43.5178.900000112.3A80 V81 M86 V87 Y88A80-A84 PolarHBondContact O-N 3.43Å; V81-A84 PolarHBondContact O-N 2.96Å; A84-M86 VanDerWaalsContact C-N 3.33Å; A84-M86 PolarHBondContact O-N 3.28Å; A84-V87 PolarHBondContact O-N 3.48Å; A84-Y88 PolarHBondContact O-N 3.5Å
85I95.2Very high89.9Confident110 Ų11093.1 Ų93.156%0.56454%0.542SS*.Hα-helixtrans-61.3-43.9174.7-68167.6000110.2V81 G82 C83 V87 Y88 S89V81-I85 HydrophobicContact CG1-CD1 3.83Å; V81-I85 HydrophobicContact CG1-CG1 4.43Å; V81-I85 WeakPolarHBondContact O-CG1 3.4Å; V81-I85 PolarHBondContact O-N 3.27Å; G82-I85 PolarHBondContact O-N 3.43Å; C83-I85 PolarHBondContact O-N 2.96Å; I85-V87 PolarHBondContact O-N 3.37Å; I85-Y88 PolarHBondContact O-N 3.5Å; I85-S89 WeakPolarHBondContact O-CB 3.32Å; I85-S89 PolarHBondContact O-N 3.24Å
86M92.7Very high88.5Confident149 Ų14994.6 Ų94.673%0.73455%0.545SS*.Hα-helixtrans-65.3-38.8179.6-168.7147.6-164.300112.4G82 C83 A84 G90G82-M86 WeakPolarHBondContact O-CB 3.36Å; G82-M86 PolarHBondContact O-N 2.95Å; C83-M86 PolarHBondContact O-N 2.89Å; A84-M86 VanDerWaalsContact C-N 3.33Å; A84-M86 PolarHBondContact O-N 3.28Å; M86-G90 PolarHBondContact O-N 2.86Å
87V92.5Very high86.9Confident93 Ų9391 Ų9156%0.56454%0.535SS*.Hα-helixtrans-65.2-43.3173.8171.40000111.1C83 A84 I85 G90 K91C83-V87 WeakPolarHBondContact O-CG2 3.37Å; C83-V87 PolarHBondContact O-N 2.86Å; A84-V87 PolarHBondContact O-N 3.48Å; I85-V87 PolarHBondContact O-N 3.37Å; V87-G90 PolarHBondContact O-N 3.45Å; V87-K91 HydrophobicContact CG1-CD 4.22Å; V87-K91 WeakPolarHBondContact O-CG 3.45Å; V87-K91 PolarHBondContact O-N 2.91Å
88Y89.8Confident85.2Confident160 Ų16092.2 Ų92.263%0.62753%0.532SS*.Hα-helixtrans-63.1-47.1177.1-178.3-93.8000111.7A84 I85 G90 K91 Q92A84-Y88 PolarHBondContact O-N 3.5Å; I85-Y88 PolarHBondContact O-N 3.5Å; Y88-G90 VanDerWaalsContact C-N 3.35Å; Y88-G90 PolarHBondContact O-N 3.24Å; Y88-K91 PolarHBondContact O-N 3.48Å; Y88-Q92 WeakPolarHBondContact O-CB 3.41Å; Y88-Q92 PolarHBondContact O-N 2.83Å
89S84Confident83.5Confident66 Ų6690.1 Ų90.146%0.46253%0.526SS..Hα-helixtrans-60.1-43.8175.8-178.20000111.5I85 K91 Q92 A93I85-S89 WeakPolarHBondContact O-CB 3.32Å; I85-S89 PolarHBondContact O-N 3.24Å; S89-K91 PolarHBondContact O-N 3.41Å; S89-Q92 PolarHBondContact O-N 2.84Å; S89-A93 WeakPolarHBondContact O-CB 3.33Å; S89-A93 PolarHBondContact O-N 3.19Å
90G84.6Confident81.9Confident42 Ų4291.4 Ų91.443%0.43353%0.533SS..Hα-helixtrans-61.4-42.3175.300000112.8M86 V87 Y88 A94M86-G90 PolarHBondContact O-N 2.86Å; V87-G90 PolarHBondContact O-N 3.45Å; Y88-G90 VanDerWaalsContact C-N 3.35Å; Y88-G90 PolarHBondContact O-N 3.24Å; G90-A94 VanDerWaalsContact O-CB 3.29Å; G90-A94 WeakPolarHBondContact O-CB 3.27Å; G90-A94 PolarHBondContact O-N 2.86Å
91K84.8Confident80.4Confident134 Ų13492.9 Ų92.958%0.58354%0.536SS*.Hα-helixtrans-67.9-36174.6-70.6-179.178.3179.50112.2V87 Y88 S89 K95V87-K91 HydrophobicContact CG1-CD 4.22Å; V87-K91 WeakPolarHBondContact O-CG 3.45Å; V87-K91 PolarHBondContact O-N 2.91Å; Y88-K91 PolarHBondContact O-N 3.48Å; S89-K91 PolarHBondContact O-N 3.41Å; K91-K95 WeakPolarHBondContact O-CB 3.43Å; K91-K95 VanDerWaalsContact O-CG 3.27Å; K91-K95 WeakPolarHBondContact O-CG 3.29Å; K91-K95 PolarHBondContact O-N 3.14Å
92Q80Confident79Confident112 Ų11295 Ų9552%0.52354%0.539SS..Hα-helixtrans-68-44.3176.6-173.7173.216.400111.4Y88 S89 K95 K96Y88-Q92 WeakPolarHBondContact O-CB 3.41Å; Y88-Q92 PolarHBondContact O-N 2.83Å; S89-Q92 PolarHBondContact O-N 2.84Å; Q92-K95 PolarHBondContact O-N 3.44Å; Q92-K96 PolarHBondContact O-N 2.93Å
93A73.8Confident77.7Confident53 Ų5398.4 Ų98.444%0.43855%0.546SS..Hα-helixtrans-62.2-43.4174.500000111.6S89 K95 K96 G97S89-A93 WeakPolarHBondContact O-CB 3.33Å; S89-A93 PolarHBondContact O-N 3.19Å; A93-K95 VanDerWaalsContact C-N 3.34Å; A93-K95 PolarHBondContact O-N 3.26Å; A93-K96 PolarHBondContact O-N 3.3Å; A93-G97 PolarHBondContact O-N 3.24Å
94A73.3Confident76.7Confident78 Ų7898.5 Ų98.565%0.64554%0.541SS*.Hα-helixtrans-61.1-41.3174.500000112.2G90 G97G90-A94 VanDerWaalsContact O-CB 3.29Å; G90-A94 WeakPolarHBondContact O-CB 3.27Å; G90-A94 PolarHBondContact O-N 2.86Å; A94-G97 PolarHBondContact O-N 3.08Å
95K71Confident75.5Confident180 Ų180101 Ų10178%0.78355%0.546SS*.Hα-helixtrans-67-37.6174.7-76.7177.8-178.5-174.20113.1K91 Q92 A93 G97K91-K95 WeakPolarHBondContact O-CB 3.43Å; K91-K95 VanDerWaalsContact O-CG 3.27Å; K91-K95 WeakPolarHBondContact O-CG 3.29Å; K91-K95 PolarHBondContact O-N 3.14Å; Q92-K95 PolarHBondContact O-N 3.44Å; A93-K95 VanDerWaalsContact C-N 3.34Å; A93-K95 PolarHBondContact O-N 3.26Å; K95-G97 PolarHBondContact O-N 2.96Å; K95-G97 VanDerWaalsContact O-N 3.14Å
96K66.9Low74.6Confident136 Ų136101.3 Ų101.359%0.59155%0.545SS*.Hα-helixtrans-61.2-19.9175.7-153.6168.6-164.3-840111Q92 A93 E98Q92-K96 PolarHBondContact O-N 2.93Å; A93-K96 PolarHBondContact O-N 3.3Å; K96-E98 HydrophobicContact CB-CG 4.3Å; K96-E98 HydrophobicContact CD-CG 4.15Å; K96-E98 WeakPolarHBondContact CD-OE1 3.49Å; K96-E98 HydrophobicContact CG-CG 3.93Å; K96-E98 IonicContact NZ-OE1 3.68Å; K96-E98 PolarHBondContact NZ-OE1 3.23Å; K96-E98 IonicContact NZ-OE2 3.27Å; K96-E98 PolarHBondContact O-N 2.54Å; K96-E98 VanDerWaalsContact O-N 3.08Å
97G62.1Low73.7Confident36 Ų36101 Ų10137%0.37154%0.535SS..THydrogen-bonded Turntrans58.527.217600000111.4A93 A94 K95 S99A93-G97 PolarHBondContact O-N 3.24Å; A94-G97 PolarHBondContact O-N 3.08Å; K95-G97 PolarHBondContact O-N 2.96Å; K95-G97 VanDerWaalsContact O-N 3.14Å; G97-S99 PolarHBondContact O-N 2.82Å
98E60.3Low73Confident80 Ų80100.9 Ų100.937%0.37453%0.528SS..  trans-70.880.2170-75.5-179.2163.700106.7K96K96-E98 HydrophobicContact CB-CG 4.3Å; K96-E98 HydrophobicContact CD-CG 4.15Å; K96-E98 WeakPolarHBondContact CD-OE1 3.49Å; K96-E98 HydrophobicContact CG-CG 3.93Å; K96-E98 IonicContact NZ-OE1 3.68Å; K96-E98 PolarHBondContact NZ-OE1 3.23Å; K96-E98 IonicContact NZ-OE2 3.27Å; K96-E98 PolarHBondContact O-N 2.54Å; K96-E98 VanDerWaalsContact O-N 3.08Å
99S62.8Low72.5Confident58 Ų5899.9 Ų99.941%0.40653%0.527SS..  trans-52.1140.2159.6166.80000107.8G97 T101 K102 M103G97-S99 PolarHBondContact O-N 2.82Å; S99-T101 PolarHBondContact O-N 3.17Å; S99-T101 PolarHBondContact OG-N 3.29Å; S99-T101 PolarHBondContact OG-OG1 3.35Å; S99-K102 PolarHBondContact O-N 3.04Å; S99-M103 PolarHBondContact O-N 3.32Å
100V62.9Low72.2Confident116 Ų116101.7 Ų101.770%0.70353%0.529SS*.Hα-helixtrans-46.2-32.2171.7179.40000111N104V100-N104 WeakPolarHBondContact O-CB 3.41Å; V100-N104 PolarHBondContact O-N 2.93Å
101T66Low71.8Confident90 Ų90105 Ų10555%0.55253%0.531SS*.Hα-helixtrans-66.6-39.2176.7-30.80000113.4S99 N104 L105S99-T101 PolarHBondContact O-N 3.17Å; S99-T101 PolarHBondContact OG-N 3.29Å; S99-T101 PolarHBondContact OG-OG1 3.35Å; T101-N104 PolarHBondContact O-N 2.88Å; T101-L105 WeakPolarHBondContact O-CG 3.4Å; T101-L105 PolarHBondContact O-N 3.49Å
102K67.5Low71.4Confident129 Ų129103.6 Ų103.656%0.56153%0.53SS*.Hα-helixtrans-69.1-43.8178.3-70.5-175.6-179.2173.70111.2S99 N104 L105 E106S99-K102 PolarHBondContact O-N 3.04Å; K102-N104 VanDerWaalsContact C-N 3.28Å; K102-N104 PolarHBondContact O-N 2.9Å; K102-L105 PolarHBondContact O-N 3.18Å; K102-E106 WeakPolarHBondContact O-CB 3.33Å; K102-E106 PolarHBondContact O-N 3.43Å
103M70.3Confident71.2Confident109 Ų109102.4 Ų102.454%0.53753%0.527SS..Hα-helixtrans-63.7-36.6177.5-170.2168.166.600111.2S99 W107S99-M103 PolarHBondContact O-N 3.32Å; M103-W107 WeakPolarHBondContact O-CB 3.34Å; M103-W107 PolarHBondContact O-N 3.48Å
104N73.9Confident71.2Confident75 Ų75102.7 Ų102.740%0.40153%0.526SS..Hα-helixtrans-65.7-44.1174-168.650.7000112.6V100 T101 K102 W107 H108V100-N104 WeakPolarHBondContact O-CB 3.41Å; V100-N104 PolarHBondContact O-N 2.93Å; T101-N104 PolarHBondContact O-N 2.88Å; K102-N104 VanDerWaalsContact C-N 3.28Å; K102-N104 PolarHBondContact O-N 2.9Å; N104-W107 PolarHBondContact O-N 2.74Å; N104-H108 PolarHBondContact ND2-NE2 3.22Å; N104-H108 PolarHBondContact O-CD2 2.92Å; N104-H108 PolarHBondContact O-N 2.78Å; N104-H108 PolarHBondContact OD1-NE2 3.3Å
105L72.2Confident71Confident116 Ų116104 Ų10461%0.60752%0.518SS*.Hα-helixtrans-66.4-39.5177.4-71173.4000112.1T101 K102 H108 K109T101-L105 WeakPolarHBondContact O-CG 3.4Å; T101-L105 PolarHBondContact O-N 3.49Å; K102-L105 PolarHBondContact O-N 3.18Å; L105-H108 PolarHBondContact O-N 3.1Å; L105-K109 WeakPolarHBondContact O-CB 3.46Å; L105-K109 PolarHBondContact O-N 3.41Å
106E76Confident70.8Confident116 Ų116102.2 Ų102.254%0.54251%0.513SS..Hα-helixtrans-62.4-43.5173.9-174.4173.6-161.200110.9K102 K109 Q110K102-E106 WeakPolarHBondContact O-CB 3.33Å; K102-E106 PolarHBondContact O-N 3.43Å; E106-K109 PolarHBondContact O-N 3.39Å; E106-K109 VanDerWaalsContact O-N 3.17Å; E106-Q110 WeakPolarHBondContact O-CG 3.44Å; E106-Q110 PolarHBondContact O-N 2.95Å
107W74.1Confident70.5Confident141 Ų14199 Ų9953%0.53451%0.508SS..Hα-helixtrans-62.1-43.1177-176.460000113.1M103 N104 K109 Q110 F111M103-W107 WeakPolarHBondContact O-CB 3.34Å; M103-W107 PolarHBondContact O-N 3.48Å; N104-W107 PolarHBondContact O-N 2.74Å; W107-K109 VanDerWaalsContact C-N 3.33Å; W107-Q110 WeakPolarHBondContact O-CG 3.46Å; W107-F111 WeakPolarHBondContact O-CB 3.01Å; W107-F111 PolarHBondContact O-N 3.02Å
108H76.9Confident70.3Confident91 Ų91104.2 Ų104.242%0.42152%0.523SS..Hα-helixtrans-66.5-36.5173.8-72.2-54.6000112.3N104 L105 F111 N112N104-H108 PolarHBondContact ND2-NE2 3.22Å; N104-H108 PolarHBondContact O-CD2 2.92Å; N104-H108 PolarHBondContact O-N 2.78Å; N104-H108 PolarHBondContact OD1-NE2 3.3Å; L105-H108 PolarHBondContact O-N 3.1Å; H108-F111 PolarHBondContact O-N 3.18Å; H108-N112 PolarHBondContact O-N 3.39Å; H108-N112 VanDerWaalsContact O-N 3.1Å
109K78.5Confident70.3Confident139 Ų139103.5 Ų103.560%0.60454%0.537SS*.Hα-helixtrans-67.8-47.2179.3-164-178.6179.2-167.70111.9L105 E106 W107 F111 N112 D113L105-K109 WeakPolarHBondContact O-CB 3.46Å; L105-K109 PolarHBondContact O-N 3.41Å; E106-K109 PolarHBondContact O-N 3.39Å; E106-K109 VanDerWaalsContact O-N 3.17Å; W107-K109 VanDerWaalsContact C-N 3.33Å; K109-F111 VanDerWaalsContact C-N 3.25Å; K109-F111 PolarHBondContact O-N 2.86Å; K109-N112 PolarHBondContact O-N 3.4Å; K109-D113 WeakPolarHBondContact O-CB 3.4Å; K109-D113 VanDerWaalsContact O-CG 3.3Å; K109-D113 PolarHBondContact O-N 3.16Å
110Q79.3Confident69.8Low105 Ų105104.6 Ų104.649%0.49154%0.544SS..Hα-helixtrans-60.5-36.2175.962.5174.595.200111.8E106 W107 D113 S114E106-Q110 WeakPolarHBondContact O-CG 3.44Å; E106-Q110 PolarHBondContact O-N 2.95Å; W107-Q110 WeakPolarHBondContact O-CG 3.46Å; Q110-D113 PolarHBondContact O-N 3.37Å; Q110-S114 WeakPolarHBondContact O-CB 3.42Å; Q110-S114 PolarHBondContact O-N 2.89Å; Q110-S114 PolarHBondContact O-OG 3.04Å
111F75.5Confident69.3Low112 Ų112102.8 Ų102.849%0.49154%0.542SS..Hα-helixtrans-71-39.9-178.5-166.5-102.6000111.2W107 H108 K109 Q115W107-F111 WeakPolarHBondContact O-CB 3.01Å; W107-F111 PolarHBondContact O-N 3.02Å; H108-F111 PolarHBondContact O-N 3.18Å; K109-F111 VanDerWaalsContact C-N 3.25Å; K109-F111 PolarHBondContact O-N 2.86Å; F111-Q115 HydrophobicContact CD1-CG 4.47Å; F111-Q115 VanDerWaalsContact CD1-NE2 3.32Å; F111-Q115 VanDerWaalsContact CE1-CD 3.44Å; F111-Q115 HydrophobicContact CE1-CG 4.23Å; F111-Q115 HydrophobicContact CZ-CG 4.46Å; F111-Q115 WeakPolarHBondContact O-CB 3.26Å; F111-Q115 VanDerWaalsContact O-CG 3.26Å; F111-Q115 WeakPolarHBondContact O-CG 3.44Å; F111-Q115 PolarHBondContact O-N 3.49Å; F111-Q115 VanDerWaalsContact O-N 3.1Å
112N76.7Confident68.5Low103 Ų103103.6 Ų103.655%0.55155%0.548SS*.Hα-helixtrans-66.8-42.5173.6-85.933.1000112.4H108 K109 Q115 Q116H108-N112 PolarHBondContact O-N 3.39Å; H108-N112 VanDerWaalsContact O-N 3.1Å; K109-N112 PolarHBondContact O-N 3.4Å; N112-Q115 PolarHBondContact O-N 3.06Å; N112-Q116 WeakPolarHBondContact O-CB 3.38Å; N112-Q116 PolarHBondContact O-N 2.95Å
113D75.7Confident67.8Low88 Ų88101.7 Ų101.747%0.47156%0.557SS.*Hα-helixtrans-65.8-43.1179.8-71-10.2000111.1K109 Q110 Q116 S117K109-D113 WeakPolarHBondContact O-CB 3.4Å; K109-D113 VanDerWaalsContact O-CG 3.3Å; K109-D113 PolarHBondContact O-N 3.16Å; Q110-D113 PolarHBondContact O-N 3.37Å; D113-Q116 PolarHBondContact O-N 3.24Å; D113-S117 PolarHBondContact O-N 3.02Å
114S73.3Confident66.7Low58 Ų58101.2 Ų101.241%0.40657%0.57SS.*Hα-helixtrans-60.5-46.9174.7-67.90000111.5Q110 Q116 S117 E118Q110-S114 WeakPolarHBondContact O-CB 3.42Å; Q110-S114 PolarHBondContact O-N 2.89Å; Q110-S114 PolarHBondContact O-OG 3.04Å; S114-Q116 VanDerWaalsContact C-N 3.32Å; S114-Q116 PolarHBondContact O-N 3.42Å; S114-S117 PolarHBondContact O-N 2.95Å; S114-S117 PolarHBondContact O-OG 3.48Å; S114-E118 WeakPolarHBondContact O-CG 3.33Å; S114-E118 PolarHBondContact O-N 2.81Å
115Q69.8Low65.4Low105 Ų105110.9 Ų110.949%0.49161%0.608SS.*Hα-helixtrans-63.7-36.4177.8-72.4-172.3113.200112.6F111 N112 G119F111-Q115 HydrophobicContact CD1-CG 4.47Å; F111-Q115 VanDerWaalsContact CD1-NE2 3.32Å; F111-Q115 VanDerWaalsContact CE1-CD 3.44Å; F111-Q115 HydrophobicContact CE1-CG 4.23Å; F111-Q115 HydrophobicContact CZ-CG 4.46Å; F111-Q115 WeakPolarHBondContact O-CB 3.26Å; F111-Q115 VanDerWaalsContact O-CG 3.26Å; F111-Q115 WeakPolarHBondContact O-CG 3.44Å; F111-Q115 PolarHBondContact O-N 3.49Å; F111-Q115 VanDerWaalsContact O-N 3.1Å; N112-Q115 PolarHBondContact O-N 3.06Å; Q115-G119 PolarHBondContact O-N 3.39Å
116Q65.6Low65Low144 Ų144110.6 Ų110.667%0.67361%0.608SS**Hα-helixtrans-70.5-34.8176.7-173.2149.772.900112N112 D113 S114 S120N112-Q116 WeakPolarHBondContact O-CB 3.38Å; N112-Q116 PolarHBondContact O-N 2.95Å; D113-Q116 PolarHBondContact O-N 3.24Å; S114-Q116 VanDerWaalsContact C-N 3.32Å; S114-Q116 PolarHBondContact O-N 3.42Å; Q116-S120 WeakPolarHBondContact O-CB 3.32Å; Q116-S120 PolarHBondContact O-N 3.48Å; Q116-S120 VanDerWaalsContact O-N 3.16Å; Q116-S120 PolarHBondContact O-OG 3Å
117S60.9Low64.5Low68 Ų68110.3 Ų110.348%0.47661%0.612SS.*Hα-helixtrans-69.4-39.5174.675.10000112.6D113 S114 S120 A121D113-S117 PolarHBondContact O-N 3.02Å; S114-S117 PolarHBondContact O-N 2.95Å; S114-S117 PolarHBondContact O-OG 3.48Å; S117-S120 PolarHBondContact O-OG 2.92Å; S117-A121 WeakPolarHBondContact O-CB 3.4Å; S117-A121 PolarHBondContact O-N 3.3Å
118E59Low63.9Low146 Ų146108.6 Ų108.668%0.68262%0.616SS**Hα-helixtrans-72-39.7176.6-68.5-176.5-169.200111.6S114 S120 A121S114-E118 WeakPolarHBondContact O-CG 3.33Å; S114-E118 PolarHBondContact O-N 2.81Å; E118-S120 VanDerWaalsContact C-N 3.29Å; E118-S120 PolarHBondContact O-N 3.13Å; E118-A121 PolarHBondContact O-N 3.1Å
119G58.5Low63.2Low65 Ų65109.6 Ų109.667%0.6763%0.628SS**Hα-helixtrans-69.6-20.8178.400000114.7Q115Q115-G119 PolarHBondContact O-N 3.39Å
120S52.8Low62.2Low80 Ų80107.8 Ų107.856%0.55963%0.629SS**Hα-helixtrans-99.3-4.5177.556.10000114.3Q116 S117 E118Q116-S120 WeakPolarHBondContact O-CB 3.32Å; Q116-S120 PolarHBondContact O-N 3.48Å; Q116-S120 VanDerWaalsContact O-N 3.16Å; Q116-S120 PolarHBondContact O-OG 3Å; S117-S120 PolarHBondContact O-OG 2.92Å; E118-S120 VanDerWaalsContact C-N 3.29Å; E118-S120 PolarHBondContact O-N 3.13Å
121A52.1Low61.1Low79 Ų79108 Ų10865%0.65364%0.638SS**THydrogen-bonded Turntrans-86.97.3-174.900000117S117 E118S117-A121 WeakPolarHBondContact O-CB 3.4Å; S117-A121 PolarHBondContact O-N 3.3Å; E118-A121 PolarHBondContact O-N 3.1Å
122P49.7Very low60Low106 Ų106107.7 Ų107.769%0.68865%0.649SS**THydrogen-bonded Turntrans-135.360.5153.839-25.4000113A124P122-A124 VanDerWaalsContact C-N 3.25Å
123A53.3Low58.8Low90 Ų90108.1 Ų108.174%0.74466%0.656SS**  trans-95.122.815100000111.6K125A123-K125 VanDerWaalsContact C-N 3.29Å; A123-K125 PolarHBondContact O-N 2.93Å
124A47.6Very low57.3Low98 Ų98109.8 Ų109.881%0.8167%0.672SS**  trans-75.782.6166.400000109.3P122P122-A124 VanDerWaalsContact C-N 3.25Å
125K45.6Very low55.9Low278 Ų278114.5 Ų114.5100%1.20970%0.696SS**  trans-129.70153.5-81.2-165.4177.5-173.50108.5A123A123-K125 VanDerWaalsContact C-N 3.29Å; A123-K125 PolarHBondContact O-N 2.93Å

Retrieved 125 of 125 residues in 63.7 ms (Link to these results)