A0A3Q0KKZ2_SCHMA Loading...

RAP domain-containing protein

AlphaFold DB (A0A5K4EKV1), UniProt , Accession A0A3Q0KKZ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 716 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
1M25.5Very low35Very low211 Ų21195.1 Ų95.1100%1.03951%0.513SS*.  0-55.50-111.8176.1-177.700112.5G3 K4M1-G3 VanDerWaalsContact C-N 3.34Å; M1-G3 PolarHBondContact O-N 3.29Å; M1-K4 PolarHBondContact O-N 3.35Å
2L24.7Very low36.1Very low138 Ų13891.8 Ų91.872%0.72349%0.49SS*.Hα-helixtrans-54.1-41.6179.7-83150.4000114.4K4 I5 I6L2-K4 PolarHBondContact O-N 3.04Å; L2-K4 VanDerWaalsContact O-N 3.17Å; L2-I5 PolarHBondContact O-N 2.92Å; L2-I6 VanDerWaalsContact O-CG1 3.3Å; L2-I6 WeakPolarHBondContact O-CG1 3.49Å; L2-I6 PolarHBondContact O-N 3.5Å
3G26.2Very low36.4Very low55 Ų5589 Ų8957%0.56748%0.475SS*.Hα-helixtrans-57-29.9176.200000115.3M1M1-G3 VanDerWaalsContact C-N 3.34Å; M1-G3 PolarHBondContact O-N 3.29Å
4K32.9Very low36.9Very low161 Ų16185.8 Ų85.870%0.746%0.455SS*.Hα-helixtrans-79.2-24.6177.7-75.4-175.4175.1-178.50112.7M1 L2 T7 H8M1-K4 PolarHBondContact O-N 3.35Å; L2-K4 PolarHBondContact O-N 3.04Å; L2-K4 VanDerWaalsContact O-N 3.17Å; K4-T7 PolarHBondContact O-OG1 3.45Å; K4-H8 PolarHBondContact O-CD2 3.03Å; K4-H8 PolarHBondContact O-NE2 2.9Å
5I31.9Very low37.7Very low99 Ų9991 Ų9151%0.50847%0.466SS..Hα-helixtrans-81.7-33.6178.8-66.3165.7000110.5L2 T7 H8 V9L2-I5 PolarHBondContact O-N 2.92Å; I5-T7 PolarHBondContact O-N 3.32Å; I5-T7 VanDerWaalsContact O-N 3.15Å; I5-H8 PolarHBondContact O-N 2.98Å; I5-V9 HydrophobicContact CG2-CG2 4.11Å
6I34.7Very low38.1Very low70 Ų7094 Ų9436%0.35948%0.477SS..Hα-helixtrans-60.3-28.3-175.6-67.2166.5000112.7L2 H8 K14 I18L2-I6 VanDerWaalsContact O-CG1 3.3Å; L2-I6 WeakPolarHBondContact O-CG1 3.49Å; L2-I6 PolarHBondContact O-N 3.5Å; I6-H8 VanDerWaalsContact C-N 3.3Å; I6-H8 PolarHBondContact O-N 3.3Å; I6-K14 WeakPolarHBondContact O-CE 3.38Å; I6-K14 PolarHBondContact O-NZ 3.2Å; I6-I18 HydrophobicContact CG1-CD1 4.09Å
7T40Very low38.2Very low94 Ų9494.4 Ų94.458%0.57748%0.48SS*.THydrogen-bonded Turntrans-74.1-17.4177.140.30000114.3K4 I5K4-T7 PolarHBondContact O-OG1 3.45Å; I5-T7 PolarHBondContact O-N 3.32Å; I5-T7 VanDerWaalsContact O-N 3.15Å
8H44.7Very low38.4Very low96 Ų9691.9 Ų91.944%0.44447%0.468SS..THydrogen-bonded Turntrans-105.3-4.6-170.3-59.6-54.1000114.7K4 I5 I6 I367K4-H8 PolarHBondContact O-CD2 3.03Å; K4-H8 PolarHBondContact O-NE2 2.9Å; I5-H8 PolarHBondContact O-N 2.98Å; I6-H8 VanDerWaalsContact C-N 3.3Å; I6-H8 PolarHBondContact O-N 3.3Å; H8-I367 WeakPolarHBondContact CE1-CD1 3.28Å
9V35.9Very low38.5Very low31 Ų3194.8 Ų94.819%0.18847%0.474CS..SBendtrans-94128.5-176179.70000110.8I5 L13 K14I5-V9 HydrophobicContact CG2-CG2 4.11Å; V9-L13 HydrophobicContact CG1-CB 3.17Å; V9-L13 HydrophobicContact CG1-CD1 4.24Å; V9-L13 HydrophobicContact CG1-CG 4.32Å; V9-K14 HydrophobicContact CB-CG 4.13Å; V9-K14 HydrophobicContact CG1-CG 4.08Å; V9-K14 WeakPolarHBondContact O-CE 3.36Å
10P43.1Very low38.5Very low45 Ų4592.7 Ų92.729%0.29247%0.466SS..  trans-49.7144.3171.5-28.434.2000112.6F12 L13 K14P10-F12 HydrophobicContact CB-CD1 3.69Å; P10-F12 HydrophobicContact CB-CE1 3.63Å; P10-F12 HydrophobicContact CG-CE1 4.23Å; P10-F12 PolarHBondContact O-N 3.21Å; P10-L13 HydrophobicContact CG-CD1 4.29Å; P10-L13 PolarHBondContact O-N 3.12Å; P10-K14 PolarHBondContact O-N 3.13Å
11N45.4Very low38.2Very low46 Ų4694.5 Ų94.525%0.24647%0.473CS..Hα-helixtrans-56.2-29.5-173.5-79-16.1000113.8K14 R15 V322N11-K14 WeakPolarHBondContact O-CB 3.43Å; N11-K14 PolarHBondContact O-N 3.41Å; N11-R15 WeakPolarHBondContact O-CG 3.35Å; N11-R15 PolarHBondContact O-N 3.06Å; N11-V322 PolarHBondContact ND2-O 3.45Å
12F48.7Very low38.5Very low55 Ų5589.4 Ų89.424%0.24145%0.447CS..Hα-helixtrans-70.5-43175.683.3-91.8000112.1P10 K14 R15 Q16 L148P10-F12 HydrophobicContact CB-CD1 3.69Å; P10-F12 HydrophobicContact CB-CE1 3.63Å; P10-F12 HydrophobicContact CG-CE1 4.23Å; P10-F12 PolarHBondContact O-N 3.21Å; F12-K14 VanDerWaalsContact C-N 3.29Å; F12-K14 PolarHBondContact O-N 3.49Å; F12-R15 CarbonylContact O-C 3.06Å; F12-R15 WeakPolarHBondContact O-CA 3.42Å; F12-R15 WeakPolarHBondContact O-CB 3.41Å; F12-R15 PolarHBondContact O-N 3.32Å; F12-R15 VanDerWaalsContact O-N 3.1Å; F12-Q16 PolarHBondContact O-N 2.86Å; F12-L148 HydrophobicContact CE1-CD2 4.47Å; F12-L148 HydrophobicContact CZ-CD2 4.29Å
13L39.2Very low39.1Very low56 Ų5685.7 Ų85.729%0.29343%0.432SS..Hα-helixtrans-66.1-33173-79.5165.9000110.9V9 P10 Q16 L17V9-L13 HydrophobicContact CG1-CB 3.17Å; V9-L13 HydrophobicContact CG1-CD1 4.24Å; V9-L13 HydrophobicContact CG1-CG 4.32Å; P10-L13 HydrophobicContact CG-CD1 4.29Å; P10-L13 PolarHBondContact O-N 3.12Å; L13-Q16 PolarHBondContact O-N 3.25Å; L13-L17 HydrophobicContact CB-CD1 4.27Å; L13-L17 HydrophobicContact CD2-CD1 3.56Å; L13-L17 HydrophobicContact CD2-CG 4.34Å; L13-L17 HydrophobicContact CG-CD1 4.46Å; L13-L17 WeakPolarHBondContact O-CA 3.31Å; L13-L17 VanDerWaalsContact O-CB 3.22Å; L13-L17 WeakPolarHBondContact O-CB 3.49Å; L13-L17 PolarHBondContact O-N 3.38Å
14K44Very low39.4Very low44 Ų4488.2 Ų88.219%0.19143%0.432CS..Iπ-helixtrans-59.7-47.1168.9-70.1176.4170.9168.80111.4I6 V9 P10 N11 F12 Q16 I18 Y19I6-K14 WeakPolarHBondContact O-CE 3.38Å; I6-K14 PolarHBondContact O-NZ 3.2Å; V9-K14 HydrophobicContact CB-CG 4.13Å; V9-K14 HydrophobicContact CG1-CG 4.08Å; V9-K14 WeakPolarHBondContact O-CE 3.36Å; P10-K14 PolarHBondContact O-N 3.13Å; N11-K14 WeakPolarHBondContact O-CB 3.43Å; N11-K14 PolarHBondContact O-N 3.41Å; F12-K14 VanDerWaalsContact C-N 3.29Å; F12-K14 PolarHBondContact O-N 3.49Å; K14-Q16 VanDerWaalsContact C-N 3.34Å; K14-Q16 PolarHBondContact O-N 3Å; K14-I18 HydrophobicContact CG-CD1 4.21Å; K14-I18 WeakPolarHBondContact O-CA 3.47Å; K14-I18 WeakPolarHBondContact O-CB 3.5Å; K14-I18 PolarHBondContact O-N 2.95Å; K14-Y19 HydrophobicContact CB-CD2 4.38Å; K14-Y19 HydrophobicContact CB-CE2 4.31Å; K14-Y19 WeakPolarHBondContact O-CD2 3.4Å; K14-Y19 PolarHBondContact O-N 3.46Å
15R48.4Very low39.2Very low164 Ų16485.7 Ų85.762%0.61943%0.426SS*.Iπ-helixtrans-65.2-32.5178.8-75.6-178.6-173.7-176.22.8113.5N11 F12 Y19 P20N11-R15 WeakPolarHBondContact O-CG 3.35Å; N11-R15 PolarHBondContact O-N 3.06Å; F12-R15 CarbonylContact O-C 3.06Å; F12-R15 WeakPolarHBondContact O-CA 3.42Å; F12-R15 WeakPolarHBondContact O-CB 3.41Å; F12-R15 PolarHBondContact O-N 3.32Å; F12-R15 VanDerWaalsContact O-N 3.1Å; R15-Y19 HydrophobicContact CG-CD2 4.26Å; R15-P20 VanDerWaalsContact O-CD 3.31Å; R15-P20 WeakPolarHBondContact O-CD 3.5Å
16Q44.7Very low39.2Very low139 Ų13984.8 Ų84.865%0.6542%0.422SS*.Iπ-helixtrans-95.8-25.5-178.4-74.9-165.6-21.300115.1F12 L13 K14 P20F12-Q16 PolarHBondContact O-N 2.86Å; L13-Q16 PolarHBondContact O-N 3.25Å; K14-Q16 VanDerWaalsContact C-N 3.34Å; K14-Q16 PolarHBondContact O-N 3Å; Q16-P20 WeakPolarHBondContact O-CG 3.48Å
17L39.2Very low39Very low101 Ų10187.6 Ų87.653%0.52944%0.437SS..Iπ-helixtrans-107.5-34.9-177.9-70.6165.5000113.2L13 H21L13-L17 HydrophobicContact CB-CD1 4.27Å; L13-L17 HydrophobicContact CD2-CD1 3.56Å; L13-L17 HydrophobicContact CD2-CG 4.34Å; L13-L17 HydrophobicContact CG-CD1 4.46Å; L13-L17 WeakPolarHBondContact O-CA 3.31Å; L13-L17 VanDerWaalsContact O-CB 3.22Å; L13-L17 WeakPolarHBondContact O-CB 3.49Å; L13-L17 PolarHBondContact O-N 3.38Å; L17-H21 PolarHBondContact O-CD2 3.1Å
18I41.2Very low38.6Very low50 Ų5090.1 Ų90.126%0.25645%0.446SS..Iπ-helixtrans-104.9-46.2-169.6-62.6163000110.9I6 K14 P20 H21 H22I6-I18 HydrophobicContact CG1-CD1 4.09Å; K14-I18 HydrophobicContact CG-CD1 4.21Å; K14-I18 WeakPolarHBondContact O-CA 3.47Å; K14-I18 WeakPolarHBondContact O-CB 3.5Å; K14-I18 PolarHBondContact O-N 2.95Å; I18-P20 VanDerWaalsContact C-CD 3.46Å; I18-H21 PolarHBondContact O-N 2.84Å; I18-H22 PolarHBondContact O-N 2.77Å
19Y40.4Very low37.9Very low147 Ų14791.7 Ų91.758%0.57646%0.457SS*.Hα-helixtrans-63.7-32.7179.1-79.7-74.3000114.6K14 R15 H21 H22 S23K14-Y19 HydrophobicContact CB-CD2 4.38Å; K14-Y19 HydrophobicContact CB-CE2 4.31Å; K14-Y19 WeakPolarHBondContact O-CD2 3.4Å; K14-Y19 PolarHBondContact O-N 3.46Å; R15-Y19 HydrophobicContact CG-CD2 4.26Å; Y19-H21 VanDerWaalsContact C-N 3.28Å; Y19-H21 PolarHBondContact O-N 3.45Å; Y19-H22 PolarHBondContact O-N 3.32Å; Y19-S23 WeakPolarHBondContact O-CB 3.43Å; Y19-S23 PolarHBondContact O-N 3.37Å; Y19-S23 PolarHBondContact O-OG 3.41Å
20P40Very low37.5Very low51 Ų5197.3 Ų97.333%0.33148%0.481SS..Hα-helixtrans-66.8-31.8175.5-21.736.2000112.2R15 Q16 I18 S23 L24R15-P20 VanDerWaalsContact O-CD 3.31Å; R15-P20 WeakPolarHBondContact O-CD 3.5Å; Q16-P20 WeakPolarHBondContact O-CG 3.48Å; I18-P20 VanDerWaalsContact C-CD 3.46Å; P20-S23 VanDerWaalsContact CA-OG 3.29Å; P20-S23 WeakPolarHBondContact CA-OG 3.45Å; P20-S23 PolarHBondContact O-OG 3.01Å; P20-L24 WeakPolarHBondContact O-CB 3.29Å; P20-L24 PolarHBondContact O-N 3.05Å; P20-L24 VanDerWaalsContact O-N 3.13Å
21H31.3Very low36.7Very low132 Ų132104.9 Ų104.961%0.61151%0.509SS*.Hα-helixtrans-79-31174.8-67.9-52.4000112.3L17 I18 Y19 L24 L25L17-H21 PolarHBondContact O-CD2 3.1Å; I18-H21 PolarHBondContact O-N 2.84Å; Y19-H21 VanDerWaalsContact C-N 3.28Å; Y19-H21 PolarHBondContact O-N 3.45Å; H21-L24 PolarHBondContact O-N 2.91Å; H21-L25 PolarHBondContact O-N 3.09Å; H21-L25 VanDerWaalsContact O-N 3.16Å
22H31Very low35.8Very low103 Ų103105.7 Ų105.748%0.47752%0.522SS..Hα-helixtrans-75.3-34.1173.8-132.2-46.6000112.7I18 Y19 L24 L25 N26I18-H22 PolarHBondContact O-N 2.77Å; Y19-H22 PolarHBondContact O-N 3.32Å; H22-L24 VanDerWaalsContact C-N 3.29Å; H22-L25 PolarHBondContact O-N 3.49Å; H22-N26 PolarHBondContact O-N 3.38Å
23S38.2Very low34.7Very low60 Ų60110.3 Ų110.342%0.4255%0.55SS..Hα-helixtrans-68.8-29.217159.40000111.4Y19 P20 N26 L27Y19-S23 WeakPolarHBondContact O-CB 3.43Å; Y19-S23 PolarHBondContact O-N 3.37Å; Y19-S23 PolarHBondContact O-OG 3.41Å; P20-S23 VanDerWaalsContact CA-OG 3.29Å; P20-S23 WeakPolarHBondContact CA-OG 3.45Å; P20-S23 PolarHBondContact O-OG 3.01Å; S23-N26 PolarHBondContact O-N 3.26Å; S23-L27 VanDerWaalsContact O-CB 3.26Å; S23-L27 WeakPolarHBondContact O-CB 3.48Å; S23-L27 PolarHBondContact O-N 3.39Å
24L33Very low34Very low108 Ų108117.9 Ų117.957%0.56558%0.58SS**Hα-helixtrans-68.6-34.4170.1-113.8142.2000112.5P20 H21 H22 L28P20-L24 WeakPolarHBondContact O-CB 3.29Å; P20-L24 PolarHBondContact O-N 3.05Å; P20-L24 VanDerWaalsContact O-N 3.13Å; H21-L24 PolarHBondContact O-N 2.91Å; H22-L24 VanDerWaalsContact C-N 3.29Å; L24-L28 PolarHBondContact O-N 3.47Å
25L28.7Very low33.1Very low108 Ų108121.2 Ų121.257%0.56561%0.609SS**Hα-helixtrans-71-38.2172-97.1148.4000112.5H21 H22H21-L25 PolarHBondContact O-N 3.09Å; H21-L25 VanDerWaalsContact O-N 3.16Å; H22-L25 PolarHBondContact O-N 3.49Å
26N31.4Very low31.9Very low80 Ų80116.7 Ų116.743%0.42861%0.614SS.*Hα-helixtrans-76.3-29.5174.6-75.12.4000112.7H22 S23 L28 I29 E30H22-N26 PolarHBondContact O-N 3.38Å; S23-N26 PolarHBondContact O-N 3.26Å; N26-L28 PolarHBondContact O-N 3.28Å; N26-I29 PolarHBondContact O-N 3.3Å; N26-E30 PolarHBondContact O-N 3.03Å
27L30.8Very low30.9Very low130 Ų130120 Ų12068%0.68163%0.627SS**Hα-helixtrans-63-25.8174-127.393.3000112.4S23 I29S23-L27 VanDerWaalsContact O-CB 3.26Å; S23-L27 WeakPolarHBondContact O-CB 3.48Å; S23-L27 PolarHBondContact O-N 3.39Å; L27-I29 VanDerWaalsContact C-N 3.31Å
28L30.3Very low30Very low146 Ų146123.1 Ų123.176%0.76464%0.638SS**THydrogen-bonded Turntrans-78.1-15.7174.2-78.2166000113L24 N26L24-L28 PolarHBondContact O-N 3.47Å; N26-L28 PolarHBondContact O-N 3.28Å
29I31.7Very low29.2Very low130 Ų130126.5 Ų126.567%0.66767%0.665SS**THydrogen-bonded Turntrans-106.9-31.7-179.2-60.5178.3000111.7N26 L27 K31N26-I29 PolarHBondContact O-N 3.3Å; L27-I29 VanDerWaalsContact C-N 3.31Å; I29-K31 PolarHBondContact O-N 3.06Å
30E27Very low28.2Very low148 Ų148128.5 Ų128.569%0.69268%0.677SS**  trans-100.231.1-173.8-71-177.1159.300114.4N26 A32N26-E30 PolarHBondContact O-N 3.03Å; E30-A32 PolarHBondContact O-N 3.04Å
31K26.6Very low27.5Very low205 Ų205129.3 Ų129.389%0.89169%0.694SS**  trans-67.567.4146.8-87-172174.8-179.30108.7I29I29-K31 PolarHBondContact O-N 3.06Å
32A26.8Very low27Very low63 Ų63128.5 Ų128.552%0.52170%0.703SS.*  trans-145.592.1174.200000108.8E30E30-A32 PolarHBondContact O-N 3.04Å
33N24Very low26.8Very low152 Ų152130.3 Ų130.381%0.81372%0.717SS**  trans19.3110.4152.4-64.4-18.6000118.2
34F26.2Very low26.1Very low214 Ų214136.8 Ų136.894%0.93974%0.74SS**  trans-122.683147.9-81.6-80.2000109.8
35S23.6Very low25.6Very low114 Ų114140.1 Ų140.180%0.79775%0.75SS**  trans-72.8131.8155.150.60000109.3
36G23.8Very low25.3Very low70 Ų70143 Ų14372%0.72277%0.765SS**  trans128.878.8161.200000114.5
37F24Very low24.9Very low209 Ų209144.1 Ų144.192%0.91778%0.779SS**  trans-146.793149.1-130.9-89.7000109.2
38E20.4Very low24.6Very low166 Ų166147 Ų14778%0.77678%0.783SS**  trans-85.2116.2167.1-76.9-172.5165.600108.6
39C23.8Very low24.4Very low120 Ų120143.9 Ų143.981%0.81177%0.772SS**  trans-100.4100.5168.2-150.90000108.4G41C39-G41 PolarHBondContact O-N 2.96Å
40K20Very low24.3Very low190 Ų190142.8 Ų142.883%0.82678%0.776SS**  trans-80.4107.6168.5-73.3-179.4-180174.80108.5
41G24.8Very low24.4Very low67 Ų67141.2 Ų141.269%0.69178%0.777SS**  trans-146.596.5170.500000108.3C39 D43C39-G41 PolarHBondContact O-N 2.96Å; G41-D43 PolarHBondContact O-N 3.25Å
42S21.7Very low24.6Very low116 Ų116138.5 Ų138.581%0.81177%0.768SS**  trans-75.297.3172.651.60000108.9
43D26.8Very low24.7Very low141 Ų141143.1 Ų143.175%0.75478%0.776SS**  trans-125108.5160.3-83.2-38.1000108.2G41 F45G41-D43 PolarHBondContact O-N 3.25Å; D43-F45 HydrophobicContact CB-CD2 4.48Å; D43-F45 PolarHBondContact O-N 3.47Å
44H22.4Very low25Very low196 Ų196136.7 Ų136.791%0.90774%0.742SS**  trans-64.176.6163.2-80.4-74000109
45F23.2Very low25.3Very low178 Ų178131.6 Ų131.678%0.78172%0.724SS**  trans-109.5113.5150.2-84.3-84.8000106.3D43 S47D43-F45 HydrophobicContact CB-CD2 4.48Å; D43-F45 PolarHBondContact O-N 3.47Å; F45-S47 PolarHBondContact O-N 3.5Å
46L22.5Very low25.7Very low168 Ų168131.3 Ų131.388%0.8872%0.722SS**  trans-5787.2161.2-75.2158.4000106.9Y48L46-Y48 VanDerWaalsContact C-N 3.27Å; L46-Y48 PolarHBondContact O-N 3.42Å
47S23.4Very low26.1Very low104 Ų104129.4 Ų129.473%0.72770%0.696SS**  trans-62.4101.615758.20000104.7F45 S49F45-S47 PolarHBondContact O-N 3.5Å; S47-S49 VanDerWaalsContact C-N 3.26Å; S47-S49 PolarHBondContact O-N 3.23Å
48Y23.7Very low26.4Very low191 Ų191122.6 Ų122.675%0.74967%0.669SS**  trans-53105.9155.8-95.1-95.1000105.5L46 S50L46-Y48 VanDerWaalsContact C-N 3.27Å; L46-Y48 PolarHBondContact O-N 3.42Å; Y48-S50 PolarHBondContact O-N 2.85Å; Y48-S50 VanDerWaalsContact O-N 3.1Å
49S25.6Very low26.6Very low79 Ų79126.2 Ų126.255%0.55268%0.675SS**  trans-53.7116.5169.248.30000106.5S47 T51S47-S49 VanDerWaalsContact C-N 3.26Å; S47-S49 PolarHBondContact O-N 3.23Å; S49-T51 PolarHBondContact O-N 2.88Å
50S30.7Very low26.9Very low107 Ų107124.3 Ų124.375%0.74867%0.668SS**SBendtrans-68.663170.743.50000110.2Y48Y48-S50 PolarHBondContact O-N 2.85Å; Y48-S50 VanDerWaalsContact O-N 3.1Å
51T28.4Very low27.3Very low116 Ų116120.9 Ų120.971%0.71267%0.668SS**  trans-131.526162.955.50000109.5S49 K53S49-T51 PolarHBondContact O-N 2.88Å; T51-K53 PolarHBondContact O-N 3.45Å
52E30.7Very low27.5Very low147 Ų147125.2 Ų125.269%0.68768%0.675SS**  trans-65.4106.3160.7-81.2-172.716700107.4L54E52-L54 PolarHBondContact O-N 3.26Å
53K29.4Very low27.8Very low161 Ų161128.1 Ų128.170%0.768%0.676SS**  trans-41.9126.6170.5-70.9170161.7-164.30109.6T51 D55T51-K53 PolarHBondContact O-N 3.45Å; K53-D55 HydrophobicContact CB-CB 4.03Å; K53-D55 WeakPolarHBondContact CD-OD2 3.25Å; K53-D55 PolarHBondContact O-N 3.38Å
54L30.6Very low28Very low17 Ų17130 Ų1309%0.08968%0.68CS.*SBendtrans-70.217.5172.5-111.7137.4000112.2E52 S56 V57 S73 L100E52-L54 PolarHBondContact O-N 3.26Å; L54-S56 VanDerWaalsContact C-N 3.29Å; L54-S56 PolarHBondContact O-N 3.08Å; L54-V57 HydrophobicContact CD2-CG1 4.24Å; L54-S73 WeakPolarHBondContact CB-O 3.07Å; L54-S73 PolarHBondContact N-O 2.94Å; L54-S73 VanDerWaalsContact N-O 3.16Å; L54-L100 HydrophobicContact CD2-CD2 3.79Å
55D32.8Very low28.5Very low107 Ų107125.4 Ų125.457%0.57267%0.668SS**THydrogen-bonded Turntrans-71-12.8-167.6-81-14000114.6K53K53-D55 HydrophobicContact CB-CB 4.03Å; K53-D55 WeakPolarHBondContact CD-OD2 3.25Å; K53-D55 PolarHBondContact O-N 3.38Å
56S32Very low29Very low107 Ų107126 Ų12675%0.74867%0.67SS**THydrogen-bonded Turntrans-104.6-2.2-177.2610000115L54L54-S56 VanDerWaalsContact C-N 3.29Å; L54-S56 PolarHBondContact O-N 3.08Å
57V31.7Very low29.7Very low31 Ų31125.5 Ų125.519%0.18867%0.668CS.*THydrogen-bonded Turntrans-109.9-24.8-161.5151.10000114.5L54 R59 L99L54-V57 HydrophobicContact CD2-CG1 4.24Å; V57-R59 PolarHBondContact O-N 2.89Å; V57-L99 HydrophobicContact CB-CB 3.95Å; V57-L99 HydrophobicContact CB-CD1 4.11Å; V57-L99 HydrophobicContact CG1-CB 3.09Å; V57-L99 HydrophobicContact CG1-CD1 3.62Å; V57-L99 HydrophobicContact CG1-CG 3.95Å; V57-L99 HydrophobicContact CG2-CB 3.7Å; V57-L99 HydrophobicContact CG2-CD1 4.05Å; V57-L99 HydrophobicContact CG2-CD2 4.32Å; V57-L99 HydrophobicContact CG2-CG 4.24Å
58I30.2Very low30.5Very low65 Ų65121.7 Ų121.733%0.33365%0.645SS.*  trans-89.477.9-179-51.8176.6000109.6L72I58-L72 HydrophobicContact CD1-CB 3.71Å; I58-L72 WeakPolarHBondContact CD1-O 3.39Å
59R24.8Very low31.7Very low242 Ų242114.9 Ų114.991%0.91362%0.622SS**  trans-107.179.3157-77.7-172-174.4176.72.8108.2V57V57-R59 PolarHBondContact O-N 2.89Å
60A30.1Very low32.8Very low80 Ų80115.3 Ų115.366%0.66163%0.63SS**  trans-93.9134.3167.300000109.8
61S28.5Very low33.8Very low118 Ų118118 Ų11883%0.82563%0.63SS**  trans-53.1140.9-173.546.90000115.8Q63S61-Q63 PolarHBondContact O-N 2.89Å; S61-Q63 VanDerWaalsContact O-N 3.14Å
62D29.3Very low35.2Very low158 Ų158113.1 Ų113.185%0.84560%0.6SS**SBendtrans-53.9106.7171-65.4-50.2000112.2
63Q27.8Very low36.9Very low178 Ų178108.3 Ų108.383%0.83258%0.582SS**SBendtrans-177.5112.5142.7-98.2158.442.500111.6S61S61-Q63 PolarHBondContact O-N 2.89Å; S61-Q63 VanDerWaalsContact O-N 3.14Å
64H30.1Very low39.2Very low180 Ų180103.3 Ų103.383%0.83357%0.565SS**  trans72.8117.2164.3-64.6-65.4000120.3K66H64-K66 PolarHBondContact O-N 3.29Å
65P32.3Very low41.4Very low100 Ų100104.6 Ų104.665%0.64957%0.572SS**  trans-90.1112.5-171.234.1-30000112.7N67P65-N67 VanDerWaalsContact CB-OD1 3.29Å; P65-N67 WeakPolarHBondContact CB-OD1 3.49Å
66K34.2Very low43.7Very low191 Ų191106.6 Ų106.683%0.8358%0.578SS**  trans-98.998.8133.3-86.6-176.6175.7179.80106.3H64 G68H64-K66 PolarHBondContact O-N 3.29Å; K66-G68 PolarHBondContact O-N 3.38Å; K66-G68 VanDerWaalsContact O-N 3.17Å
67N38.5Very low46.2Very low156 Ų156103.8 Ų103.883%0.83456%0.555SS**THydrogen-bonded Turntrans-60.7111.4-175.1-72.3-24000111.2P65P65-N67 VanDerWaalsContact CB-OD1 3.29Å; P65-N67 WeakPolarHBondContact CB-OD1 3.49Å
68G40.2Very low48.8Very low24 Ų24102.5 Ų102.525%0.24755%0.547CS..THydrogen-bonded Turntrans-175.6-40.9170.700000113.4K66K66-G68 PolarHBondContact O-N 3.38Å; K66-G68 VanDerWaalsContact O-N 3.17Å
69I47.3Very low51.4Low49 Ų49104.7 Ų104.725%0.25155%0.554SS.*G310 helixtrans-73.2-32.1-175.1-56.6174.3000112.2Q71 F81 D94I69-Q71 PolarHBondContact O-N 3.43Å; I69-Q71 VanDerWaalsContact O-N 3.16Å; I69-F81 HydrophobicContact CG1-CE2 4.37Å; I69-F81 HydrophobicContact CG1-CZ 3.91Å; I69-D94 HydrophobicContact CD1-CB 4.23Å
70A49.3Very low54.2Low88 Ų8896.3 Ų96.373%0.72753%0.532SS*.G310 helixtrans-69.9-8.3-177.200000115
71Q51.5Low57Low163 Ų16394 Ų9476%0.76251%0.508SS*.G310 helixtrans-111.913.7-175.8-72.4-174.3-18.400114.2I69 S73I69-Q71 PolarHBondContact O-N 3.43Å; I69-Q71 VanDerWaalsContact O-N 3.16Å; Q71-S73 VanDerWaalsContact C-N 3.27Å; Q71-S73 PolarHBondContact O-N 3.17Å
72L57.8Low59.8Low13 Ų1389.4 Ų89.47%0.06847%0.474CS..  trans-76.772.7177.9-62.4176.5000111.5I58 D77 L78 F81 I95I58-L72 HydrophobicContact CD1-CB 3.71Å; I58-L72 WeakPolarHBondContact CD1-O 3.39Å; L72-D77 HydrophobicContact CD2-CB 4Å; L72-L78 HydrophobicContact CD1-CD1 4.02Å; L72-L78 HydrophobicContact CD2-CB 4.49Å; L72-F81 HydrophobicContact CD1-CD1 4.43Å; L72-F81 HydrophobicContact CD2-CB 3.68Å; L72-F81 HydrophobicContact CD2-CG 4.08Å; L72-I95 HydrophobicContact CD1-CD1 4.34Å
73S67.4Low62.3Low46 Ų4686 Ų8632%0.32246%0.463SS..  trans-83.5-17.4-177.8680000114.1L54 Q71 D77L54-S73 WeakPolarHBondContact CB-O 3.07Å; L54-S73 PolarHBondContact N-O 2.94Å; L54-S73 VanDerWaalsContact N-O 3.16Å; Q71-S73 VanDerWaalsContact C-N 3.27Å; Q71-S73 PolarHBondContact O-N 3.17Å; S73-D77 PolarHBondContact N-OD2 3Å; S73-D77 PolarHBondContact OG-OD2 3.09Å
74T77.2Confident65Low56 Ų5682.6 Ų82.634%0.34445%0.447SS..SBendtrans-138.7163.7-176.867.70000112.6E76 D77 L78T74-E76 PolarHBondContact O-N 2.72Å; T74-E76 PolarHBondContact OG1-N 3.21Å; T74-D77 PolarHBondContact N-OD2 2.84Å; T74-D77 PolarHBondContact O-N 2.93Å; T74-D77 PolarHBondContact OG1-N 3.44Å; T74-D77 PolarHBondContact OG1-OD1 3.35Å; T74-D77 PolarHBondContact OG1-OD2 2.9Å; T74-L78 PolarHBondContact O-N 2.95Å; T74-L78 VanDerWaalsContact O-N 3.09Å
75I77.1Confident67.4Low44 Ų4480.2 Ų80.223%0.22645%0.448CS..Hα-helixtrans-61.2-29.6170.3-66.4175.3000111L78 K79 I107I75-L78 PolarHBondContact O-N 3.32Å; I75-K79 HydrophobicContact CG2-CD 4.35Å; I75-K79 WeakPolarHBondContact O-CG 3.29Å; I75-K79 PolarHBondContact O-N 2.88Å; I75-I107 HydrophobicContact CG2-CD1 3.9Å
76E80.9Confident69.9Low150 Ų15079.4 Ų79.470%0.70144%0.444SS*.Hα-helixtrans-71-40.3176.7-65.4-174.4165.100111.7T74 L78 K79 S80T74-E76 PolarHBondContact O-N 2.72Å; T74-E76 PolarHBondContact OG1-N 3.21Å; E76-L78 VanDerWaalsContact C-N 3.31Å; E76-L78 PolarHBondContact O-N 2.83Å; E76-K79 PolarHBondContact O-N 2.82Å; E76-S80 WeakPolarHBondContact O-CB 3.37Å; E76-S80 PolarHBondContact O-N 3.49Å; E76-S80 PolarHBondContact O-OG 3.26Å
77D83.6Confident72.4Confident48 Ų4870.8 Ų70.826%0.25741%0.408SS..Hα-helixtrans-59.5-45.6172.3-58.4-32.8000110L72 S73 T74 K79 S80 F81L72-D77 HydrophobicContact CD2-CB 4Å; S73-D77 PolarHBondContact N-OD2 3Å; S73-D77 PolarHBondContact OG-OD2 3.09Å; T74-D77 PolarHBondContact N-OD2 2.84Å; T74-D77 PolarHBondContact O-N 2.93Å; T74-D77 PolarHBondContact OG1-N 3.44Å; T74-D77 PolarHBondContact OG1-OD1 3.35Å; T74-D77 PolarHBondContact OG1-OD2 2.9Å; D77-K79 PolarHBondContact O-N 2.77Å; D77-S80 PolarHBondContact O-N 3.27Å; D77-S80 PolarHBondContact O-OG 2.93Å; D77-F81 WeakPolarHBondContact O-CB 3.36Å; D77-F81 PolarHBondContact O-N 3.31Å
78L85.9Confident74.7Confident4 Ų466.3 Ų66.32%0.02139%0.386CS..Hα-helixtrans-59.7-48.2176.1-178.767000111.5L72 T74 I75 E76 S80 F81 V82 I95 A104 I107L72-L78 HydrophobicContact CD1-CD1 4.02Å; L72-L78 HydrophobicContact CD2-CB 4.49Å; T74-L78 PolarHBondContact O-N 2.95Å; T74-L78 VanDerWaalsContact O-N 3.09Å; I75-L78 PolarHBondContact O-N 3.32Å; E76-L78 VanDerWaalsContact C-N 3.31Å; E76-L78 PolarHBondContact O-N 2.83Å; L78-S80 VanDerWaalsContact C-N 3.33Å; L78-S80 PolarHBondContact O-N 2.97Å; L78-F81 PolarHBondContact O-N 3.5Å; L78-V82 HydrophobicContact CD1-CG1 3.91Å; L78-V82 HydrophobicContact CG-CG1 4.36Å; L78-V82 WeakPolarHBondContact O-CG1 3.23Å; L78-V82 WeakPolarHBondContact O-CG2 3.37Å; L78-V82 PolarHBondContact O-N 2.88Å; L78-I95 HydrophobicContact CD1-CD1 3.78Å; L78-A104 HydrophobicContact CD2-CB 3.58Å; L78-I107 HydrophobicContact CD2-CB 4.49Å; L78-I107 HydrophobicContact CD2-CG2 4.28Å; L78-I107 HydrophobicContact CG-CG2 4.38Å
79K84.5Confident76.9Confident110 Ų11065.9 Ų65.948%0.47838%0.38SS..Hα-helixtrans-57.8-46.4177-77.2174.3-179.7176.10111.4I75 E76 D77 S83 I107I75-K79 HydrophobicContact CG2-CD 4.35Å; I75-K79 WeakPolarHBondContact O-CG 3.29Å; I75-K79 PolarHBondContact O-N 2.88Å; E76-K79 PolarHBondContact O-N 2.82Å; D77-K79 PolarHBondContact O-N 2.77Å; K79-S83 WeakPolarHBondContact O-CB 3.4Å; K79-S83 PolarHBondContact O-N 3.29Å; K79-S83 PolarHBondContact O-OG 3.49Å; K79-I107 HydrophobicContact CG-CD1 4.14Å; K79-I107 HydrophobicContact CG-CG2 4.4Å
80S85.4Confident78.9Confident67 Ų6768.2 Ų68.247%0.46939%0.393SS..Hα-helixtrans-62.7-45.5179.373.50000111.4E76 D77 L78 S83 H84E76-S80 WeakPolarHBondContact O-CB 3.37Å; E76-S80 PolarHBondContact O-N 3.49Å; E76-S80 PolarHBondContact O-OG 3.26Å; D77-S80 PolarHBondContact O-N 3.27Å; D77-S80 PolarHBondContact O-OG 2.93Å; L78-S80 VanDerWaalsContact C-N 3.33Å; L78-S80 PolarHBondContact O-N 2.97Å; S80-S83 PolarHBondContact O-N 3.49Å; S80-S83 PolarHBondContact O-OG 2.91Å; S80-H84 PolarHBondContact O-N 3.3Å; S80-H84 VanDerWaalsContact O-N 3.11Å
81F88.6Confident80.8Confident32 Ų3266 Ų6614%0.1437%0.369CS..Hα-helixtrans-60.2-53.3177.3177.5-99.5000112.2I69 L72 D77 L78 S83 H84 T87 D91 I95I69-F81 HydrophobicContact CG1-CE2 4.37Å; I69-F81 HydrophobicContact CG1-CZ 3.91Å; L72-F81 HydrophobicContact CD1-CD1 4.43Å; L72-F81 HydrophobicContact CD2-CB 3.68Å; L72-F81 HydrophobicContact CD2-CG 4.08Å; D77-F81 WeakPolarHBondContact O-CB 3.36Å; D77-F81 PolarHBondContact O-N 3.31Å; L78-F81 PolarHBondContact O-N 3.5Å; F81-S83 PolarHBondContact O-N 3.17Å; F81-H84 WeakPolarHBondContact O-CB 3.26Å; F81-H84 PolarHBondContact O-N 3.26Å; F81-H84 VanDerWaalsContact O-N 3.16Å; F81-T87 HydrophobicContact CD1-CG2 4.38Å; F81-T87 HydrophobicContact CE1-CG2 4Å; F81-T87 HydrophobicContact CZ-CG2 4.27Å; F81-T87 WeakPolarHBondContact O-CB 3.37Å; F81-T87 PolarHBondContact O-OG1 3.12Å; F81-D91 HydrophobicContact CZ-CB 4.04Å; F81-I95 HydrophobicContact CD1-CD1 4.29Å; F81-I95 HydrophobicContact CE1-CD1 4.05Å
82V85.8Confident82.6Confident20 Ų2058.3 Ų58.312%0.12133%0.333CS..Hα-helixtrans-70.3-22.2-177.8-560000113.1L78 I92 I107 A111L78-V82 HydrophobicContact CD1-CG1 3.91Å; L78-V82 HydrophobicContact CG-CG1 4.36Å; L78-V82 WeakPolarHBondContact O-CG1 3.23Å; L78-V82 WeakPolarHBondContact O-CG2 3.37Å; L78-V82 PolarHBondContact O-N 2.88Å; V82-I92 HydrophobicContact CG1-CG1 4.33Å; V82-I107 HydrophobicContact CG2-CG2 3.9Å; V82-A111 HydrophobicContact CB-CB 3.56Å; V82-A111 HydrophobicContact CG1-CB 4.27Å; V82-A111 HydrophobicContact CG2-CB 3.69Å
83S82.3Confident84.1Confident88 Ų8858.4 Ų58.462%0.61533%0.334SS*.Hα-helixtrans-85.1-9.9174.972.10000114.1K79 S80 F81K79-S83 WeakPolarHBondContact O-CB 3.4Å; K79-S83 PolarHBondContact O-N 3.29Å; K79-S83 PolarHBondContact O-OG 3.49Å; S80-S83 PolarHBondContact O-N 3.49Å; S80-S83 PolarHBondContact O-OG 2.91Å; F81-S83 PolarHBondContact O-N 3.17Å
84H84.3Confident85.1Confident106 Ų10660.2 Ų60.249%0.49134%0.339SS..SBendtrans-70.4133.1-175.7-164.2-84.6000110.8S80 F81 S86 T87S80-H84 PolarHBondContact O-N 3.3Å; S80-H84 VanDerWaalsContact O-N 3.11Å; F81-H84 WeakPolarHBondContact O-CB 3.26Å; F81-H84 PolarHBondContact O-N 3.26Å; F81-H84 VanDerWaalsContact O-N 3.16Å; H84-S86 PolarHBondContact CE1-OG 3.02Å; H84-S86 VanDerWaalsContact CE1-OG 3.31Å; H84-S86 PolarHBondContact ND1-N 3.16Å; H84-S86 PolarHBondContact ND1-OG 3.33Å; H84-S86 PolarHBondContact O-N 3.23Å; H84-T87 WeakPolarHBondContact O-CB 3.29Å; H84-T87 PolarHBondContact O-N 3.09Å; H84-T87 PolarHBondContact O-OG1 2.94Å
85P80.6Confident85.6Confident130 Ų13058.1 Ų58.184%0.84433%0.326SS*.THydrogen-bonded Turntrans-59.9-20.6-175.7-2633.8000115.6
86S85.4Confident85.9Confident83 Ų8359 Ų5958%0.5833%0.331SS*.THydrogen-bonded Turntrans-88.3-10.5178.369.40000114H84 T88H84-S86 PolarHBondContact CE1-OG 3.02Å; H84-S86 VanDerWaalsContact CE1-OG 3.31Å; H84-S86 PolarHBondContact ND1-N 3.16Å; H84-S86 PolarHBondContact ND1-OG 3.33Å; H84-S86 PolarHBondContact O-N 3.23Å; S86-T88 PolarHBondContact O-N 3.1Å
87T86.9Confident86Confident10 Ų1052.4 Ų52.46%0.06130%0.301CS..  trans-70.8125-177.1-60.80000109.1F81 H84 D91 I92 M115F81-T87 HydrophobicContact CD1-CG2 4.38Å; F81-T87 HydrophobicContact CE1-CG2 4Å; F81-T87 HydrophobicContact CZ-CG2 4.27Å; F81-T87 WeakPolarHBondContact O-CB 3.37Å; F81-T87 PolarHBondContact O-OG1 3.12Å; H84-T87 WeakPolarHBondContact O-CB 3.29Å; H84-T87 PolarHBondContact O-N 3.09Å; H84-T87 PolarHBondContact O-OG1 2.94Å; T87-D91 HydrophobicContact CG2-CB 4.09Å; T87-I92 HydrophobicContact CG2-CD1 4.18Å; T87-I92 HydrophobicContact CG2-CG1 3.75Å; T87-M115 WeakPolarHBondContact O-CE 3.34Å
88T86.9Confident85.7Confident62 Ų6258.8 Ų58.838%0.3832%0.321SS..  trans-94.6163.8-179.871.10000111.4S86 N90 D91 I92S86-T88 PolarHBondContact O-N 3.1Å; T88-N90 PolarHBondContact O-N 3.19Å; T88-D91 WeakPolarHBondContact CA-OD2 3.46Å; T88-D91 VanDerWaalsContact CB-OD2 3.28Å; T88-D91 WeakPolarHBondContact CB-OD2 3.23Å; T88-D91 WeakPolarHBondContact CG2-OD2 3.13Å; T88-D91 PolarHBondContact N-OD2 2.88Å; T88-D91 WeakPolarHBondContact O-CB 3.21Å; T88-D91 PolarHBondContact O-N 3.21Å; T88-D91 VanDerWaalsContact O-N 3.14Å; T88-D91 PolarHBondContact OG1-N 2.78Å; T88-D91 PolarHBondContact OG1-OD2 3.38Å; T88-I92 PolarHBondContact O-N 3.1Å
89A86.3Confident85.2Confident15 Ų1563.1 Ų63.112%0.12434%0.344CS..Hα-helixtrans-58.4-35.5174.200000112.3I92 L93 L112 M115 W175A89-I92 PolarHBondContact O-N 3.2Å; A89-L93 WeakPolarHBondContact O-CG 3.45Å; A89-L93 PolarHBondContact O-N 3.37Å; A89-L112 HydrophobicContact CB-CD1 3.99Å; A89-L112 WeakPolarHBondContact O-CD1 3.4Å; A89-M115 HydrophobicContact CB-SD 4.47Å; A89-W175 HydrophobicContact CB-CG 4.27Å
90N88.4Confident85.2Confident98 Ų9859.1 Ų59.152%0.52433%0.327SS..Hα-helixtrans-68.5-39.7176.9-69.6-19.8000111.6T88 I92 L93 D94T88-N90 PolarHBondContact O-N 3.19Å; N90-I92 PolarHBondContact O-N 2.97Å; N90-L93 PolarHBondContact O-N 3.01Å; N90-L93 VanDerWaalsContact O-N 3.16Å; N90-D94 WeakPolarHBondContact O-CB 3.5Å; N90-D94 VanDerWaalsContact O-CG 3.26Å; N90-D94 PolarHBondContact O-N 3.49Å
91D90Very high85.3Confident41 Ų4158.6 Ų58.622%0.21932%0.323CS..Hα-helixtrans-60.1-35.4177.3-59.5-44.1000111.7F81 T87 T88F81-D91 HydrophobicContact CZ-CB 4.04Å; T87-D91 HydrophobicContact CG2-CB 4.09Å; T88-D91 WeakPolarHBondContact CA-OD2 3.46Å; T88-D91 VanDerWaalsContact CB-OD2 3.28Å; T88-D91 WeakPolarHBondContact CB-OD2 3.23Å; T88-D91 WeakPolarHBondContact CG2-OD2 3.13Å; T88-D91 PolarHBondContact N-OD2 2.88Å; T88-D91 WeakPolarHBondContact O-CB 3.21Å; T88-D91 PolarHBondContact O-N 3.21Å; T88-D91 VanDerWaalsContact O-N 3.14Å; T88-D91 PolarHBondContact OG1-N 2.78Å; T88-D91 PolarHBondContact OG1-OD2 3.38Å
92I89.1Confident85.3Confident2 Ų258.2 Ų58.21%0.0132%0.324CS..Hα-helixtrans-73.5-43.2175.5-61.3170.7000111.2V82 T87 T88 A89 N90 D94 I95 C108 A111 L112 M115V82-I92 HydrophobicContact CG1-CG1 4.33Å; T87-I92 HydrophobicContact CG2-CD1 4.18Å; T87-I92 HydrophobicContact CG2-CG1 3.75Å; T88-I92 PolarHBondContact O-N 3.1Å; A89-I92 PolarHBondContact O-N 3.2Å; N90-I92 PolarHBondContact O-N 2.97Å; I92-D94 PolarHBondContact O-N 3.3Å; I92-I95 WeakPolarHBondContact O-CB 3.35Å; I92-I95 WeakPolarHBondContact O-CG1 3.3Å; I92-I95 PolarHBondContact O-N 3.07Å; I92-C108 HydrophobicContact CG2-CB 4.09Å; I92-A111 HydrophobicContact CD1-CB 4.03Å; I92-L112 HydrophobicContact CB-CD1 4.07Å; I92-L112 HydrophobicContact CG2-CB 4.36Å; I92-L112 HydrophobicContact CG2-CD1 4.11Å; I92-M115 HydrophobicContact CD1-SD 3.78Å
93L90.2Very high85.5Confident15 Ų1559.8 Ų59.88%0.07933%0.33CS..Hα-helixtrans-68.8-22.3-179.9-71.1174.6000113.2A89 N90 I95 L112 W175 K180 F181 L184A89-L93 WeakPolarHBondContact O-CG 3.45Å; A89-L93 PolarHBondContact O-N 3.37Å; N90-L93 PolarHBondContact O-N 3.01Å; N90-L93 VanDerWaalsContact O-N 3.16Å; L93-I95 VanDerWaalsContact C-N 3.28Å; L93-L112 HydrophobicContact CD1-CD1 4.28Å; L93-L112 HydrophobicContact CD2-CD1 4.01Å; L93-L112 HydrophobicContact CD2-CD2 4.31Å; L93-L112 HydrophobicContact CG-CD1 3.74Å; L93-W175 HydrophobicContact CD1-CB 3.86Å; L93-K180 HydrophobicContact CB-CB 4.21Å; L93-K180 HydrophobicContact CB-CD 4.37Å; L93-K180 HydrophobicContact CD2-CB 4.31Å; L93-K180 WeakPolarHBondContact O-CD 3.4Å; L93-F181 HydrophobicContact CD2-CB 4.06Å; L93-F181 HydrophobicContact CD2-CD2 4.5Å; L93-L184 HydrophobicContact CD2-CD2 4.32Å
94D88.8Confident85.9Confident83 Ų8355.6 Ų55.644%0.44430%0.301SS..THydrogen-bonded Turntrans-78.9-8.1176.6-73.6-18.3000113.7I69 N90 I92 D96 K180I69-D94 HydrophobicContact CD1-CB 4.23Å; N90-D94 WeakPolarHBondContact O-CB 3.5Å; N90-D94 VanDerWaalsContact O-CG 3.26Å; N90-D94 PolarHBondContact O-N 3.49Å; I92-D94 PolarHBondContact O-N 3.3Å; D94-D96 PolarHBondContact O-N 2.99Å; D94-K180 IonicContact OD1-NZ 2.57Å; D94-K180 PolarHBondContact OD1-NZ 3.39Å
95I86.7Confident86.2Confident12 Ų1250.5 Ų50.56%0.06228%0.277CS..SBendtrans-66.8127.7173.4-57.8173.7000109.3L72 L78 F81 I92 L93 I97 L100L72-I95 HydrophobicContact CD1-CD1 4.34Å; L78-I95 HydrophobicContact CD1-CD1 3.78Å; F81-I95 HydrophobicContact CD1-CD1 4.29Å; F81-I95 HydrophobicContact CE1-CD1 4.05Å; I92-I95 WeakPolarHBondContact O-CB 3.35Å; I92-I95 WeakPolarHBondContact O-CG1 3.3Å; I92-I95 PolarHBondContact O-N 3.07Å; L93-I95 VanDerWaalsContact C-N 3.28Å; I95-I97 WeakPolarHBondContact O-CG2 3.31Å; I95-I97 PolarHBondContact O-N 3.47Å; I95-L100 HydrophobicContact CG2-CD1 3.84Å
96D83Confident86.6Confident63 Ų6344.7 Ų44.734%0.33724%0.24SC..  trans-71.798.6174-170-6.6000110.7D94 R98D94-D96 PolarHBondContact O-N 2.99Å; D96-R98 VanDerWaalsContact C-N 3.3Å; D96-R98 PolarHBondContact O-N 3.04Å; D96-R98 WeakPolarHBondContact OD1-CB 3.34Å; D96-R98 WeakPolarHBondContact OD1-CG 3.41Å; D96-R98 IonicContact OD1-CZ 3.64Å; D96-R98 PolarHBondContact OD1-N 3.29Å; D96-R98 VanDerWaalsContact OD1-N 3.12Å; D96-R98 IonicContact OD1-NE 2.86Å; D96-R98 PolarHBondContact OD1-NE 3.13Å; D96-R98 IonicContact OD1-NH2 3.55Å; D96-R98 IonicContact OD2-CZ 3.49Å; D96-R98 IonicContact OD2-NE 3.42Å; D96-R98 PolarHBondContact OD2-NE 3.46Å; D96-R98 IonicContact OD2-NH2 2.73Å; D96-R98 PolarHBondContact OD2-NH2 3.31Å
97I82.3Confident86.8Confident12 Ų1241.6 Ų41.66%0.06222%0.217CC..G310 helixtrans-75.6-15-176.568.2168.2000114.2I95 L99 L100 L183 L184 T187I95-I97 WeakPolarHBondContact O-CG2 3.31Å; I95-I97 PolarHBondContact O-N 3.47Å; I97-L99 PolarHBondContact O-N 2.86Å; I97-L100 HydrophobicContact CB-CD1 4.28Å; I97-L100 HydrophobicContact CG2-CD1 4.16Å; I97-L100 PolarHBondContact O-N 3.41Å; I97-L100 VanDerWaalsContact O-N 3.13Å; I97-L183 HydrophobicContact CD1-CB 4.39Å; I97-L183 HydrophobicContact CD1-CD2 4.29Å; I97-L183 HydrophobicContact CD1-CG 3.78Å; I97-L183 WeakPolarHBondContact CD1-O 3.43Å; I97-L183 HydrophobicContact CG1-CD2 4.31Å; I97-L183 HydrophobicContact CG1-CG 4.29Å; I97-L184 HydrophobicContact CD1-CB 4.13Å; I97-L184 HydrophobicContact CD1-CD1 4.31Å; I97-L184 HydrophobicContact CG2-CD1 3.92Å; I97-T187 HydrophobicContact CD1-CG2 4.13Å
98R78Confident87Confident182 Ų18241.1 Ų41.169%0.68721%0.214SC*.G310 helixtrans-63.7-19.6-169-68.1173.6-68.3-175.41.5113.4D96D96-R98 VanDerWaalsContact C-N 3.3Å; D96-R98 PolarHBondContact O-N 3.04Å; D96-R98 WeakPolarHBondContact OD1-CB 3.34Å; D96-R98 WeakPolarHBondContact OD1-CG 3.41Å; D96-R98 IonicContact OD1-CZ 3.64Å; D96-R98 PolarHBondContact OD1-N 3.29Å; D96-R98 VanDerWaalsContact OD1-N 3.12Å; D96-R98 IonicContact OD1-NE 2.86Å; D96-R98 PolarHBondContact OD1-NE 3.13Å; D96-R98 IonicContact OD1-NH2 3.55Å; D96-R98 IonicContact OD2-CZ 3.49Å; D96-R98 IonicContact OD2-NE 3.42Å; D96-R98 PolarHBondContact OD2-NE 3.46Å; D96-R98 IonicContact OD2-NH2 2.73Å; D96-R98 PolarHBondContact OD2-NH2 3.31Å
99L76.7Confident87.1Confident94 Ų9438.2 Ų38.249%0.49220%0.196SC..G310 helixtrans-119.54.3-175.2-65.2169.7000111.9V57 I97V57-L99 HydrophobicContact CB-CB 3.95Å; V57-L99 HydrophobicContact CB-CD1 4.11Å; V57-L99 HydrophobicContact CG1-CB 3.09Å; V57-L99 HydrophobicContact CG1-CD1 3.62Å; V57-L99 HydrophobicContact CG1-CG 3.95Å; V57-L99 HydrophobicContact CG2-CB 3.7Å; V57-L99 HydrophobicContact CG2-CD1 4.05Å; V57-L99 HydrophobicContact CG2-CD2 4.32Å; V57-L99 HydrophobicContact CG2-CG 4.24Å; I97-L99 PolarHBondContact O-N 2.86Å
100L82.9Confident87.1Confident26 Ų2638 Ų3814%0.13619%0.192CC..SBendtrans-78.4144.2177.7-70.2-176.5000111L54 I95 I97 A104L54-L100 HydrophobicContact CD2-CD2 3.79Å; I95-L100 HydrophobicContact CG2-CD1 3.84Å; I97-L100 HydrophobicContact CB-CD1 4.28Å; I97-L100 HydrophobicContact CG2-CD1 4.16Å; I97-L100 PolarHBondContact O-N 3.41Å; I97-L100 VanDerWaalsContact O-N 3.13Å; L100-A104 HydrophobicContact CB-CB 4.01Å; L100-A104 HydrophobicContact CD1-CB 4.3Å; L100-A104 HydrophobicContact CD2-CB 4.34Å; L100-A104 HydrophobicContact CG-CB 4.45Å
101P87.4Confident87Confident57 Ų5733.8 Ų33.837%0.3717%0.172SC..  trans-55.8153.3165.5-23.933.4000112E103 A104 C105P101-E103 VanDerWaalsContact C-N 3.25Å; P101-E103 PolarHBondContact O-N 2.91Å; P101-E103 VanDerWaalsContact O-N 3.17Å; P101-A104 HydrophobicContact CB-CB 4.48Å; P101-A104 WeakPolarHBondContact O-CB 3.48Å; P101-A104 PolarHBondContact O-N 2.92Å; P101-C105 PolarHBondContact O-N 2.9Å; P101-C105 VanDerWaalsContact O-N 3.12Å
102S89.8Confident86.8Confident24 Ų2431.9 Ų31.917%0.16816%0.161CC..Hα-helixtrans-48.4-46.4179.151.90000112.9A104 C105 A106 S194 L195S102-A104 VanDerWaalsContact C-N 3.33Å; S102-A104 PolarHBondContact O-N 3.27Å; S102-C105 WeakPolarHBondContact O-CB 3.45Å; S102-C105 PolarHBondContact O-N 3.47Å; S102-A106 PolarHBondContact O-N 3.02Å; S102-A106 VanDerWaalsContact O-N 3.12Å; S102-S194 PolarHBondContact OG-O 3.3Å; S102-L195 VanDerWaalsContact O-CD2 3.28Å; S102-L195 WeakPolarHBondContact O-CD2 3.34Å
103E90.2Very high86.4Confident52 Ų5231.8 Ų31.824%0.24316%0.161CC..Hα-helixtrans-66.9-34.1-179-158.369.7-174.600112.4P101 A106 I107 S196 S199P101-E103 VanDerWaalsContact C-N 3.25Å; P101-E103 PolarHBondContact O-N 2.91Å; P101-E103 VanDerWaalsContact O-N 3.17Å; E103-A106 PolarHBondContact O-N 3.42Å; E103-I107 HydrophobicContact CG-CD1 4.43Å; E103-I107 WeakPolarHBondContact O-CD1 3.43Å; E103-I107 VanDerWaalsContact O-CG1 3.22Å; E103-I107 WeakPolarHBondContact O-CG1 3.03Å; E103-I107 PolarHBondContact O-N 3.43Å; E103-S196 PolarHBondContact OE1-OG 3.34Å; E103-S196 PolarHBondContact OE2-N 2.86Å; E103-S196 PolarHBondContact OE2-OG 3.33Å; E103-S199 VanDerWaalsContact CD-OG 3.32Å; E103-S199 WeakPolarHBondContact OE1-CB 3.48Å; E103-S199 PolarHBondContact OE1-OG 3.5Å
104A89.7Confident85.7Confident0 Ų036.4 Ų36.40%018%0.177CC..Hα-helixtrans-68.2-39.8176.100000111.2L78 L100 P101 S102 A106 I107 C108L78-A104 HydrophobicContact CD2-CB 3.58Å; L100-A104 HydrophobicContact CB-CB 4.01Å; L100-A104 HydrophobicContact CD1-CB 4.3Å; L100-A104 HydrophobicContact CD2-CB 4.34Å; L100-A104 HydrophobicContact CG-CB 4.45Å; P101-A104 HydrophobicContact CB-CB 4.48Å; P101-A104 WeakPolarHBondContact O-CB 3.48Å; P101-A104 PolarHBondContact O-N 2.92Å; S102-A104 VanDerWaalsContact C-N 3.33Å; S102-A104 PolarHBondContact O-N 3.27Å; A104-A106 VanDerWaalsContact C-N 3.34Å; A104-A106 PolarHBondContact O-N 3.32Å; A104-I107 PolarHBondContact O-N 3.4Å; A104-C108 PolarHBondContact O-N 2.85Å; A104-C108 PolarHBondContact O-SG 3.41Å; A104-C108 VanDerWaalsContact O-SG 3.34Å
105C90.4Very high85.2Confident0 Ų036.4 Ų36.40%018%0.176CC..Hα-helixtrans-58.5-45.6171.5-64.60000111.6P101 S102 I107 C108 L109P101-C105 PolarHBondContact O-N 2.9Å; P101-C105 VanDerWaalsContact O-N 3.12Å; S102-C105 WeakPolarHBondContact O-CB 3.45Å; S102-C105 PolarHBondContact O-N 3.47Å; C105-I107 PolarHBondContact O-N 3.24Å; C105-C108 PolarHBondContact O-N 3.2Å; C105-L109 PolarHBondContact O-N 2.92Å
106A89.9Confident84.3Confident8 Ų838.6 Ų38.67%0.06619%0.186CC..Hα-helixtrans-63-41177.100000112.5S102 E103 A104 L109 E110 T188 L195S102-A106 PolarHBondContact O-N 3.02Å; S102-A106 VanDerWaalsContact O-N 3.12Å; E103-A106 PolarHBondContact O-N 3.42Å; A104-A106 VanDerWaalsContact C-N 3.34Å; A104-A106 PolarHBondContact O-N 3.32Å; A106-L109 PolarHBondContact O-N 3.34Å; A106-E110 VanDerWaalsContact O-CB 3.24Å; A106-E110 WeakPolarHBondContact O-CB 3.45Å; A106-E110 PolarHBondContact O-N 3.09Å; A106-T188 HydrophobicContact CB-CG2 4.12Å; A106-L195 HydrophobicContact CB-CD2 3.79Å
107I89.8Confident83.5Confident17 Ų1737.4 Ų37.49%0.08718%0.179CC..Hα-helixtrans-60.9-45.5175.5-71.7163.4000111.1I75 L78 K79 V82 E103 A104 C105 E110 A111I75-I107 HydrophobicContact CG2-CD1 3.9Å; L78-I107 HydrophobicContact CD2-CB 4.49Å; L78-I107 HydrophobicContact CD2-CG2 4.28Å; L78-I107 HydrophobicContact CG-CG2 4.38Å; K79-I107 HydrophobicContact CG-CD1 4.14Å; K79-I107 HydrophobicContact CG-CG2 4.4Å; V82-I107 HydrophobicContact CG2-CG2 3.9Å; E103-I107 HydrophobicContact CG-CD1 4.43Å; E103-I107 WeakPolarHBondContact O-CD1 3.43Å; E103-I107 VanDerWaalsContact O-CG1 3.22Å; E103-I107 WeakPolarHBondContact O-CG1 3.03Å; E103-I107 PolarHBondContact O-N 3.43Å; A104-I107 PolarHBondContact O-N 3.4Å; C105-I107 PolarHBondContact O-N 3.24Å; I107-E110 PolarHBondContact O-N 2.76Å; I107-A111 VanDerWaalsContact O-CB 3.3Å; I107-A111 WeakPolarHBondContact O-CB 3.27Å; I107-A111 PolarHBondContact O-N 3.49Å
108C90.1Very high82.5Confident0 Ų039.8 Ų39.80%020%0.195CC..Hα-helixtrans-60.6-47177.1-69.60000111.5I92 A104 C105 A111 L112 L184I92-C108 HydrophobicContact CG2-CB 4.09Å; A104-C108 PolarHBondContact O-N 2.85Å; A104-C108 PolarHBondContact O-SG 3.41Å; A104-C108 VanDerWaalsContact O-SG 3.34Å; C105-C108 PolarHBondContact O-N 3.2Å; C108-A111 PolarHBondContact O-N 3.46Å; C108-L112 WeakPolarHBondContact O-CB 3.45Å; C108-L112 PolarHBondContact O-N 3.27Å; C108-L184 HydrophobicContact CB-CD1 3.96Å; C108-L184 HydrophobicContact CB-CD2 4.39Å
109L88.7Confident82Confident2 Ų233.9 Ų33.91%0.0118%0.182CC..Hα-helixtrans-60.9-48.9177.7-179.362000111C105 A106 A111 L112 L113 F181 L184 V185 T188 L203C105-L109 PolarHBondContact O-N 2.92Å; A106-L109 PolarHBondContact O-N 3.34Å; L109-A111 PolarHBondContact O-N 2.9Å; L109-L112 PolarHBondContact O-N 2.97Å; L109-L113 HydrophobicContact CD1-CD1 3.91Å; L109-L113 HydrophobicContact CD1-CG 4.2Å; L109-L113 HydrophobicContact CG-CD1 4Å; L109-L113 WeakPolarHBondContact O-CB 3.44Å; L109-L113 VanDerWaalsContact O-CG 3.22Å; L109-L113 WeakPolarHBondContact O-CG 3.45Å; L109-L113 PolarHBondContact O-N 3.17Å; L109-F181 HydrophobicContact CD1-CE2 3.97Å; L109-L184 HydrophobicContact CB-CD1 4.41Å; L109-L184 HydrophobicContact CB-CD2 4.23Å; L109-L184 HydrophobicContact CB-CG 4.19Å; L109-L184 HydrophobicContact CD1-CD2 4.25Å; L109-L184 HydrophobicContact CD1-CG 4.31Å; L109-V185 HydrophobicContact CD1-CG2 3.76Å; L109-T188 HydrophobicContact CD2-CG2 4.19Å; L109-L203 HydrophobicContact CD2-CD1 3.95Å
110E86.4Confident81.9Confident9 Ų931.6 Ų31.64%0.04217%0.167CC..Hα-helixtrans-60.9-43.3179.4169.7165.2-155.700112.5A106 I107 L113 R114 R202 Y206A106-E110 VanDerWaalsContact O-CB 3.24Å; A106-E110 WeakPolarHBondContact O-CB 3.45Å; A106-E110 PolarHBondContact O-N 3.09Å; I107-E110 PolarHBondContact O-N 2.76Å; E110-L113 PolarHBondContact O-N 3Å; E110-R114 HydrophobicContact CG-CG 4.47Å; E110-R114 WeakPolarHBondContact O-CB 3.39Å; E110-R114 WeakPolarHBondContact O-CG 3.37Å; E110-R114 PolarHBondContact O-N 2.76Å; E110-R114 IonicContact OE1-CZ 3.28Å; E110-R114 IonicContact OE1-NE 2.79Å; E110-R114 IonicContact OE1-NH1 3.97Å; E110-R114 PolarHBondContact OE1-NH1 3.02Å; E110-R114 IonicContact OE1-NH2 3.73Å; E110-R114 PolarHBondContact OE1-NH2 2.95Å; E110-R202 WeakPolarHBondContact OE1-CD 3.31Å; E110-R202 IonicContact OE1-CZ 2.78Å; E110-R202 IonicContact OE1-NE 2.88Å; E110-R202 PolarHBondContact OE1-NE 2.96Å; E110-R202 IonicContact OE1-NH1 2.8Å; E110-R202 PolarHBondContact OE1-NH1 2.91Å; E110-R202 IonicContact OE2-CZ 3.63Å; E110-R202 IonicContact OE2-NH1 3.73Å; E110-R202 PolarHBondContact OE2-NH1 2.77Å; E110-Y206 HydrophobicContact CB-CE2 4.09Å; E110-Y206 HydrophobicContact CG-CE2 4.48Å; E110-Y206 WeakPolarHBondContact CG-OH 3.48Å
111A86.1Confident81.7Confident11 Ų1135.8 Ų35.89%0.09119%0.19CC..Hα-helixtrans-61.5-49.7177.600000111.4V82 I92 I107 C108 L109 L113 R114 M115V82-A111 HydrophobicContact CB-CB 3.56Å; V82-A111 HydrophobicContact CG1-CB 4.27Å; V82-A111 HydrophobicContact CG2-CB 3.69Å; I92-A111 HydrophobicContact CD1-CB 4.03Å; I107-A111 VanDerWaalsContact O-CB 3.3Å; I107-A111 WeakPolarHBondContact O-CB 3.27Å; I107-A111 PolarHBondContact O-N 3.49Å; C108-A111 PolarHBondContact O-N 3.46Å; L109-A111 PolarHBondContact O-N 2.9Å; A111-L113 VanDerWaalsContact C-N 3.27Å; A111-L113 PolarHBondContact O-N 3.42Å; A111-R114 PolarHBondContact O-N 3.26Å; A111-R114 VanDerWaalsContact O-N 3.16Å; A111-M115 WeakPolarHBondContact O-CG 3.32Å; A111-M115 PolarHBondContact O-N 3.07Å; A111-M115 VanDerWaalsContact O-N 3.15Å
112L85.8Confident81.5Confident0 Ų039 Ų390%020%0.203CC..Hα-helixtrans-55.6-43.1177.9-168.599.6000112A89 I92 L93 C108 L109 W175 F181A89-L112 HydrophobicContact CB-CD1 3.99Å; A89-L112 WeakPolarHBondContact O-CD1 3.4Å; I92-L112 HydrophobicContact CB-CD1 4.07Å; I92-L112 HydrophobicContact CG2-CB 4.36Å; I92-L112 HydrophobicContact CG2-CD1 4.11Å; L93-L112 HydrophobicContact CD1-CD1 4.28Å; L93-L112 HydrophobicContact CD2-CD1 4.01Å; L93-L112 HydrophobicContact CD2-CD2 4.31Å; L93-L112 HydrophobicContact CG-CD1 3.74Å; C108-L112 WeakPolarHBondContact O-CB 3.45Å; C108-L112 PolarHBondContact O-N 3.27Å; L109-L112 PolarHBondContact O-N 2.97Å; L112-W175 HydrophobicContact CD2-CE3 3.62Å; L112-W175 HydrophobicContact CD2-CH2 3.94Å; L112-W175 HydrophobicContact CD2-CZ3 3.2Å; L112-W175 HydrophobicContact CG-CE3 4.24Å; L112-W175 HydrophobicContact CG-CH2 4.38Å; L112-W175 HydrophobicContact CG-CZ3 3.99Å; L112-F181 HydrophobicContact CD2-CD2 3.44Å; L112-F181 VanDerWaalsContact CD2-CD2 3.44Å; L112-F181 HydrophobicContact CD2-CE2 3.57Å
113L81Confident81.2Confident1 Ų141.4 Ų41.41%0.00521%0.214CC..Hα-helixtrans-74.6-32.7-179.6-64-178.2000112.7L109 E110 A111 M115 Q116 L163 W175 F181 Y206 F210L109-L113 HydrophobicContact CD1-CD1 3.91Å; L109-L113 HydrophobicContact CD1-CG 4.2Å; L109-L113 HydrophobicContact CG-CD1 4Å; L109-L113 WeakPolarHBondContact O-CB 3.44Å; L109-L113 VanDerWaalsContact O-CG 3.22Å; L109-L113 WeakPolarHBondContact O-CG 3.45Å; L109-L113 PolarHBondContact O-N 3.17Å; E110-L113 PolarHBondContact O-N 3Å; A111-L113 VanDerWaalsContact C-N 3.27Å; A111-L113 PolarHBondContact O-N 3.42Å; L113-M115 VanDerWaalsContact C-N 3.33Å; L113-M115 PolarHBondContact O-N 3.27Å; L113-Q116 PolarHBondContact O-N 2.94Å; L113-L163 HydrophobicContact CB-CD2 3.87Å; L113-L163 HydrophobicContact CD1-CD2 4.15Å; L113-L163 HydrophobicContact CD2-CD2 3.61Å; L113-L163 HydrophobicContact CG-CD2 4.04Å; L113-W175 HydrophobicContact CD2-CH2 4.13Å; L113-F181 HydrophobicContact CD2-CE2 4.24Å; L113-F181 HydrophobicContact CD2-CZ 4.44Å; L113-Y206 HydrophobicContact CB-CD1 4.27Å; L113-Y206 HydrophobicContact CB-CE1 3.87Å; L113-Y206 HydrophobicContact CD1-CD1 3.19Å; L113-Y206 HydrophobicContact CD1-CD2 3.98Å; L113-Y206 HydrophobicContact CD1-CE1 3.61Å; L113-Y206 HydrophobicContact CD1-CE2 4.39Å; L113-Y206 HydrophobicContact CD1-CG 3.4Å; L113-Y206 VanDerWaalsContact CD1-CG 3.4Å; L113-Y206 HydrophobicContact CG-CD1 4.34Å; L113-Y206 HydrophobicContact CG-CE1 4.39Å; L113-F210 HydrophobicContact CD1-CE2 4.02Å; L113-F210 HydrophobicContact CD1-CZ 3.92Å; L113-F210 HydrophobicContact CD2-CZ 3.82Å
114R77Confident81Confident111 Ų11140 Ų4042%0.41921%0.208SC..Hα-helixtrans-66.9-31.3175.2-84.1-176.6171.5141.13.3113.1E110 A111 Q116 N117 E159E110-R114 HydrophobicContact CG-CG 4.47Å; E110-R114 WeakPolarHBondContact O-CB 3.39Å; E110-R114 WeakPolarHBondContact O-CG 3.37Å; E110-R114 PolarHBondContact O-N 2.76Å; E110-R114 IonicContact OE1-CZ 3.28Å; E110-R114 IonicContact OE1-NE 2.79Å; E110-R114 IonicContact OE1-NH1 3.97Å; E110-R114 PolarHBondContact OE1-NH1 3.02Å; E110-R114 IonicContact OE1-NH2 3.73Å; E110-R114 PolarHBondContact OE1-NH2 2.95Å; A111-R114 PolarHBondContact O-N 3.26Å; A111-R114 VanDerWaalsContact O-N 3.16Å; R114-Q116 PolarHBondContact O-N 3.25Å; R114-N117 PolarHBondContact O-N 3.41Å; R114-E159 IonicContact CZ-OE2 3.04Å; R114-E159 IonicContact NE-OE2 3.76Å; R114-E159 IonicContact NH2-OE2 3.97Å; R114-E159 PolarHBondContact NH2-OE2 3.2Å
115M76.5Confident81Confident84 Ų8445.1 Ų45.141%0.41423%0.232SC..THydrogen-bonded Turntrans-57.5-20.4179-68.7-176.377.600114T87 A89 I92 A111 L113T87-M115 WeakPolarHBondContact O-CE 3.34Å; A89-M115 HydrophobicContact CB-SD 4.47Å; I92-M115 HydrophobicContact CD1-SD 3.78Å; A111-M115 WeakPolarHBondContact O-CG 3.32Å; A111-M115 PolarHBondContact O-N 3.07Å; A111-M115 VanDerWaalsContact O-N 3.15Å; L113-M115 VanDerWaalsContact C-N 3.33Å; L113-M115 PolarHBondContact O-N 3.27Å
116Q68.6Low81.1Confident58 Ų5848.2 Ų48.227%0.27125%0.253SS..THydrogen-bonded Turntrans-94.5-12.1-179.8-58.9-56.2-35.400114.1L113 R114 Y173 W175L113-Q116 PolarHBondContact O-N 2.94Å; R114-Q116 PolarHBondContact O-N 3.25Å; Q116-Y173 PolarHBondContact OE1-OH 2.48Å; Q116-W175 HydrophobicContact CG-CZ2 3.89Å
117N65.8Low81.1Confident37 Ų3748 Ų4820%0.19825%0.251CS..SBendtrans-86.7134.5-178-82.7-30.1000110.8R114 S119 I162R114-N117 PolarHBondContact O-N 3.41Å; N117-S119 PolarHBondContact O-N 3.28Å; N117-I162 PolarHBondContact ND2-O 2.81Å; N117-I162 PolarHBondContact OD1-O 3.29Å
118P61.8Low81.3Confident62 Ų6250.2 Ų50.240%0.40326%0.261SS..  trans-57.8140.4171.423.8-31.3000109.6Y120 L123P118-Y120 PolarHBondContact O-N 2.88Å; P118-L123 HydrophobicContact CG-CD1 4.47Å
119S67.5Low81.5Confident59 Ų5954.5 Ų54.541%0.41328%0.284SS..  trans-61.3113.2177.361.80000109.3N117 D121 L122N117-S119 PolarHBondContact O-N 3.28Å; S119-D121 PolarHBondContact O-N 2.9Å; S119-D121 VanDerWaalsContact O-N 3.08Å; S119-L122 PolarHBondContact O-N 3.4Å; S119-L122 VanDerWaalsContact OG-CD1 3.22Å; S119-L122 WeakPolarHBondContact OG-CD1 3.22Å; S119-L122 WeakPolarHBondContact OG-CG 3.36Å
120Y73.8Confident81.7Confident45 Ų4557.1 Ų57.118%0.17630%0.298CS..Hα-helixtrans-54.9-27.6177-78.2-76000112.6P118 L122 L123 I124 H155P118-Y120 PolarHBondContact O-N 2.88Å; Y120-L122 VanDerWaalsContact C-N 3.34Å; Y120-L122 PolarHBondContact O-N 2.88Å; Y120-L123 HydrophobicContact CD1-CD1 4.12Å; Y120-L123 WeakPolarHBondContact O-CB 3.19Å; Y120-L123 PolarHBondContact O-N 2.74Å; Y120-L123 VanDerWaalsContact O-N 3.15Å; Y120-I124 VanDerWaalsContact O-CG1 3.28Å; Y120-I124 WeakPolarHBondContact O-CG1 3.22Å; Y120-I124 PolarHBondContact O-N 3.32Å; Y120-H155 HydrophobicContact CD1-CB 3.43Å; Y120-H155 VanDerWaalsContact CD1-CB 3.43Å; Y120-H155 HydrophobicContact CD2-CB 4.15Å; Y120-H155 HydrophobicContact CE1-CB 3.7Å; Y120-H155 HydrophobicContact CE2-CB 4.37Å; Y120-H155 HydrophobicContact CG-CB 3.67Å
121D79.5Confident82.1Confident114 Ų11457.4 Ų57.461%0.6130%0.3SS*.Hα-helixtrans-58.7-42175.8-65-30.9000112.7S119 I124 H125S119-D121 PolarHBondContact O-N 2.9Å; S119-D121 VanDerWaalsContact O-N 3.08Å; D121-I124 PolarHBondContact O-N 3.17Å; D121-H125 WeakPolarHBondContact O-CB 3.23Å; D121-H125 PolarHBondContact O-CD2 3Å; D121-H125 VanDerWaalsContact O-CD2 3.22Å; D121-H125 PolarHBondContact O-N 2.91Å
122L82.3Confident82.4Confident125 Ų12566 Ų6665%0.65433%0.33SS*.Hα-helixtrans-65.6-40.3175.2-71.1177.4000111.6S119 Y120 H125 S126S119-L122 PolarHBondContact O-N 3.4Å; S119-L122 VanDerWaalsContact OG-CD1 3.22Å; S119-L122 WeakPolarHBondContact OG-CD1 3.22Å; S119-L122 WeakPolarHBondContact OG-CG 3.36Å; Y120-L122 VanDerWaalsContact C-N 3.34Å; Y120-L122 PolarHBondContact O-N 2.88Å; L122-H125 PolarHBondContact O-N 3.3Å; L122-S126 VanDerWaalsContact O-CB 3.3Å; L122-S126 WeakPolarHBondContact O-CB 3.26Å; L122-S126 PolarHBondContact O-N 3.37Å
123L83.6Confident82.7Confident75 Ų7571 Ų7139%0.39336%0.357SS..Hα-helixtrans-63.9-42.3176.5-67.9174.6000111.5P118 Y120 S126 A127P118-L123 HydrophobicContact CG-CD1 4.47Å; Y120-L123 HydrophobicContact CD1-CD1 4.12Å; Y120-L123 WeakPolarHBondContact O-CB 3.19Å; Y120-L123 PolarHBondContact O-N 2.74Å; Y120-L123 VanDerWaalsContact O-N 3.15Å; L123-S126 PolarHBondContact O-N 3.04Å; L123-A127 WeakPolarHBondContact O-CB 3.23Å; L123-A127 PolarHBondContact O-N 3.06Å
124I87.6Confident83.1Confident21 Ų2171.3 Ų71.311%0.10836%0.359CS..Hα-helixtrans-65-46.9177.3-69.2166.6000110.3Y120 D121 S126 A127 Q128 L148 I151 T152Y120-I124 VanDerWaalsContact O-CG1 3.28Å; Y120-I124 WeakPolarHBondContact O-CG1 3.22Å; Y120-I124 PolarHBondContact O-N 3.32Å; D121-I124 PolarHBondContact O-N 3.17Å; I124-S126 VanDerWaalsContact C-N 3.35Å; I124-S126 PolarHBondContact O-N 3.15Å; I124-A127 PolarHBondContact O-N 2.82Å; I124-Q128 HydrophobicContact CG2-CG 4.46Å; I124-Q128 VanDerWaalsContact O-CG 3.27Å; I124-Q128 WeakPolarHBondContact O-CG 3.25Å; I124-Q128 PolarHBondContact O-N 2.93Å; I124-L148 HydrophobicContact CG2-CD1 4.31Å; I124-I151 HydrophobicContact CG1-CG2 3.78Å; I124-T152 HydrophobicContact CD1-CG2 4.3Å; I124-T152 HydrophobicContact CG1-CG2 4.13Å; I124-T152 HydrophobicContact CG2-CG2 4.04Å
125H89.5Confident83.7Confident109 Ų10970.8 Ų70.851%0.50536%0.364SS..Hα-helixtrans-62-41.6177.5-82.4-52.2000112.6D121 L122 Q128 N129D121-H125 WeakPolarHBondContact O-CB 3.23Å; D121-H125 PolarHBondContact O-CD2 3Å; D121-H125 VanDerWaalsContact O-CD2 3.22Å; D121-H125 PolarHBondContact O-N 2.91Å; L122-H125 PolarHBondContact O-N 3.3Å; H125-Q128 PolarHBondContact ND1-OE1 3.5Å; H125-Q128 PolarHBondContact O-N 2.79Å; H125-N129 PolarHBondContact O-N 3.41Å; H125-N129 PolarHBondContact O-ND2 3.5Å
126S91.1Very high84.1Confident64 Ų6471 Ų7145%0.44838%0.379SS..Hα-helixtrans-60.1-50.3174.2-174.70000111.4L122 L123 I124 Q128 N129 D130L122-S126 VanDerWaalsContact O-CB 3.3Å; L122-S126 WeakPolarHBondContact O-CB 3.26Å; L122-S126 PolarHBondContact O-N 3.37Å; L123-S126 PolarHBondContact O-N 3.04Å; I124-S126 VanDerWaalsContact C-N 3.35Å; I124-S126 PolarHBondContact O-N 3.15Å; S126-Q128 VanDerWaalsContact C-N 3.28Å; S126-Q128 PolarHBondContact O-N 3.45Å; S126-N129 PolarHBondContact O-N 3.49Å; S126-N129 VanDerWaalsContact O-N 3.08Å; S126-D130 PolarHBondContact O-N 3.18Å
127A90.8Very high84.8Confident4 Ų472.2 Ų72.23%0.03339%0.394CS..Hα-helixtrans-62.3-32.7178.200000113.3L123 I124 L131 L148 I151L123-A127 WeakPolarHBondContact O-CB 3.23Å; L123-A127 PolarHBondContact O-N 3.06Å; I124-A127 PolarHBondContact O-N 2.82Å; A127-L131 PolarHBondContact O-N 3.27Å; A127-L131 VanDerWaalsContact O-N 3.09Å; A127-L148 HydrophobicContact CB-CB 4.35Å; A127-L148 HydrophobicContact CB-CD1 3.94Å; A127-I151 HydrophobicContact CB-CD1 4.34Å
128Q94.1Very high85.2Confident63 Ų6372.2 Ų72.229%0.29440%0.403SS..Hα-helixtrans-65.3-43.7172.9-75.3172.8-9.500111.9I124 H125 S126 L131 R132 L148I124-Q128 HydrophobicContact CG2-CG 4.46Å; I124-Q128 VanDerWaalsContact O-CG 3.27Å; I124-Q128 WeakPolarHBondContact O-CG 3.25Å; I124-Q128 PolarHBondContact O-N 2.93Å; H125-Q128 PolarHBondContact ND1-OE1 3.5Å; H125-Q128 PolarHBondContact O-N 2.79Å; S126-Q128 VanDerWaalsContact C-N 3.28Å; S126-Q128 PolarHBondContact O-N 3.45Å; Q128-L131 PolarHBondContact O-N 3.44Å; Q128-R132 WeakPolarHBondContact O-CB 3.41Å; Q128-R132 PolarHBondContact O-N 2.83Å; Q128-L148 HydrophobicContact CG-CD1 3.73Å; Q128-L148 HydrophobicContact CG-CD2 3.95Å
129N94.2Very high86Confident91 Ų9169.6 Ų69.649%0.48739%0.387SS..Hα-helixtrans-65.4-42.7177.4-71.9-26000111.3H125 S126 L131 R132 N133H125-N129 PolarHBondContact O-N 3.41Å; H125-N129 PolarHBondContact O-ND2 3.5Å; S126-N129 PolarHBondContact O-N 3.49Å; S126-N129 VanDerWaalsContact O-N 3.08Å; N129-L131 PolarHBondContact O-N 2.97Å; N129-R132 PolarHBondContact O-N 3.39Å; N129-N133 WeakPolarHBondContact O-CB 3.2Å; N129-N133 VanDerWaalsContact O-CG 3.22Å; N129-N133 PolarHBondContact O-N 2.93Å; N129-N133 PolarHBondContact O-ND2 3.42Å
130D92.8Very high86.8Confident57 Ų5769.1 Ų69.131%0.30538%0.379SS..Hα-helixtrans-57.5-47.2175.4-71.7-13.9000111.9S126 R132 N133 S134S126-D130 PolarHBondContact O-N 3.18Å; D130-R132 VanDerWaalsContact C-N 3.34Å; D130-R132 PolarHBondContact O-N 2.82Å; D130-N133 PolarHBondContact O-N 3.27Å; D130-S134 WeakPolarHBondContact O-CB 3.45Å; D130-S134 PolarHBondContact O-N 3.29Å
131L94.7Very high87.6Confident15 Ų1569.7 Ų69.78%0.07938%0.381CS..Hα-helixtrans-61.3-43.8176.817659.7000111.6A127 Q128 N129 S134 I135 W141 H144 Y145 L148A127-L131 PolarHBondContact O-N 3.27Å; A127-L131 VanDerWaalsContact O-N 3.09Å; Q128-L131 PolarHBondContact O-N 3.44Å; N129-L131 PolarHBondContact O-N 2.97Å; L131-S134 PolarHBondContact O-N 3.44Å; L131-I135 HydrophobicContact CD1-CD1 3.88Å; L131-I135 HydrophobicContact CD1-CG1 4.14Å; L131-I135 HydrophobicContact CG-CD1 3.97Å; L131-I135 WeakPolarHBondContact O-CG1 3.33Å; L131-I135 PolarHBondContact O-N 2.98Å; L131-W141 HydrophobicContact CD1-CB 4.08Å; L131-H144 HydrophobicContact CB-CB 4.09Å; L131-H144 HydrophobicContact CD1-CB 4.02Å; L131-Y145 HydrophobicContact CD2-CD2 4.33Å; L131-L148 HydrophobicContact CD2-CD2 3.75Å
132R93.3Very high88.4Confident190 Ų19064.3 Ų64.372%0.71735%0.353SS*.Hα-helixtrans-63.8-43.4-178.8-149177.1-167.9170.81.8111.3Q128 N129 D130 I135 A136Q128-R132 WeakPolarHBondContact O-CB 3.41Å; Q128-R132 PolarHBondContact O-N 2.83Å; N129-R132 PolarHBondContact O-N 3.39Å; D130-R132 VanDerWaalsContact C-N 3.34Å; D130-R132 PolarHBondContact O-N 2.82Å; R132-I135 PolarHBondContact O-N 2.92Å; R132-A136 WeakPolarHBondContact O-CB 3.35Å; R132-A136 PolarHBondContact O-N 3.07Å; R132-A136 VanDerWaalsContact O-N 3.07Å
133N91.8Very high88.8Confident105 Ų10558.7 Ų58.756%0.56132%0.324SS*.Hα-helixtrans-63.5-43.9175.7-69.5-19.7000111.3N129 D130 I135 A136 S137N129-N133 WeakPolarHBondContact O-CB 3.2Å; N129-N133 VanDerWaalsContact O-CG 3.22Å; N129-N133 PolarHBondContact O-N 2.93Å; N129-N133 PolarHBondContact O-ND2 3.42Å; D130-N133 PolarHBondContact O-N 3.27Å; N133-I135 PolarHBondContact O-N 2.98Å; N133-A136 PolarHBondContact O-N 2.87Å; N133-S137 WeakPolarHBondContact O-CB 3.25Å; N133-S137 PolarHBondContact O-N 2.91Å; N133-S137 PolarHBondContact O-OG 3.38Å
134S89.3Confident89.3Confident8 Ų858 Ų586%0.05632%0.318CS..Hα-helixtrans-63.2-40.7178.7-169.20000112.9D130 L131 S137 G138 G139 D140 W141 H144D130-S134 WeakPolarHBondContact O-CB 3.45Å; D130-S134 PolarHBondContact O-N 3.29Å; L131-S134 PolarHBondContact O-N 3.44Å; S134-S137 PolarHBondContact O-OG 3.02Å; S134-G138 PolarHBondContact O-N 3.06Å; S134-G138 VanDerWaalsContact O-N 3.14Å; S134-G139 PolarHBondContact O-N 2.83Å; S134-D140 VanDerWaalsContact OG-C 3.32Å; S134-D140 PolarHBondContact OG-N 2.89Å; S134-W141 VanDerWaalsContact OG-CA 3.31Å; S134-W141 WeakPolarHBondContact OG-CA 3.36Å; S134-W141 PolarHBondContact OG-N 3.38Å; S134-H144 VanDerWaalsContact CB-CD2 3.42Å; S134-H144 WeakPolarHBondContact CB-CD2 3.45Å; S134-H144 PolarHBondContact OG-CD2 3.47Å; S134-H144 VanDerWaalsContact OG-CD2 3.29Å
135I88.8Confident89.7Confident101 Ų10158 Ų5852%0.51832%0.317SS..Hα-helixtrans-64.7-42.9174.4-67.4167.5000110.7L131 R132 N133 G138 W141L131-I135 HydrophobicContact CD1-CD1 3.88Å; L131-I135 HydrophobicContact CD1-CG1 4.14Å; L131-I135 HydrophobicContact CG-CD1 3.97Å; L131-I135 WeakPolarHBondContact O-CG1 3.33Å; L131-I135 PolarHBondContact O-N 2.98Å; R132-I135 PolarHBondContact O-N 2.92Å; N133-I135 PolarHBondContact O-N 2.98Å; I135-G138 PolarHBondContact O-N 3.46Å; I135-W141 HydrophobicContact CG1-CB 3.72Å; I135-W141 HydrophobicContact CG1-CG 4.14Å
136A85.7Confident89.9Confident89 Ų8952.8 Ų52.874%0.73629%0.293SS*.Hα-helixtrans-67.5-34.7-178.600000112.9R132 N133R132-A136 WeakPolarHBondContact O-CB 3.35Å; R132-A136 PolarHBondContact O-N 3.07Å; R132-A136 VanDerWaalsContact O-N 3.07Å; N133-A136 PolarHBondContact O-N 2.87Å
137S82.2Confident89.9Confident82 Ų8252.7 Ų52.757%0.57329%0.285SS*.Hα-helixtrans-88.8-3.6179.264.80000114.5N133 S134 G139N133-S137 WeakPolarHBondContact O-CB 3.25Å; N133-S137 PolarHBondContact O-N 2.91Å; N133-S137 PolarHBondContact O-OG 3.38Å; S134-S137 PolarHBondContact O-OG 3.02Å; S137-G139 PolarHBondContact O-N 3.35Å
138G73.9Confident90Very high38 Ų3852.8 Ų52.839%0.39228%0.284SS..THydrogen-bonded Turntrans71.517.5-173.300000114.2S134 I135S134-G138 PolarHBondContact O-N 3.06Å; S134-G138 VanDerWaalsContact O-N 3.14Å; I135-G138 PolarHBondContact O-N 3.46Å
139G79.6Confident89.9Confident6 Ų650.4 Ų50.46%0.06227%0.274CS..  trans-71.5-170.6179.400000114.6S134 S137 W141S134-G139 PolarHBondContact O-N 2.83Å; S137-G139 PolarHBondContact O-N 3.35Å; G139-W141 PolarHBondContact O-N 2.6Å
140D84Confident89.7Confident49 Ų4947 Ų4726%0.26226%0.255SS..  trans-72.762.5177.8-174.910.9000112.3S134 P142 S143 H144 K403S134-D140 VanDerWaalsContact OG-C 3.32Å; S134-D140 PolarHBondContact OG-N 2.89Å; D140-P142 VanDerWaalsContact C-N 3.28Å; D140-P142 WeakPolarHBondContact OD1-CD 3.32Å; D140-S143 PolarHBondContact O-N 3.22Å; D140-S143 PolarHBondContact OD1-N 3.49Å; D140-S143 PolarHBondContact OD1-OG 3.26Å; D140-S143 WeakPolarHBondContact OD2-CB 3.5Å; D140-S143 PolarHBondContact OD2-OG 3.36Å; D140-H144 PolarHBondContact O-CD2 3.3Å; D140-H144 VanDerWaalsContact O-CD2 3.28Å; D140-K403 WeakPolarHBondContact OD2-CE 3.48Å; D140-K403 IonicContact OD2-NZ 2.7Å
141W91.9Very high89.5Confident57 Ų5745.3 Ų45.322%0.21625%0.245CC..Hα-helixtrans-59.2-30.1178.271.9-98000113.5L131 S134 I135 G139 S143 H144 Y145 L326 Q371 W372L131-W141 HydrophobicContact CD1-CB 4.08Å; S134-W141 VanDerWaalsContact OG-CA 3.31Å; S134-W141 WeakPolarHBondContact OG-CA 3.36Å; S134-W141 PolarHBondContact OG-N 3.38Å; I135-W141 HydrophobicContact CG1-CB 3.72Å; I135-W141 HydrophobicContact CG1-CG 4.14Å; G139-W141 PolarHBondContact O-N 2.6Å; W141-S143 VanDerWaalsContact C-N 3.31Å; W141-S143 PolarHBondContact O-N 3.15Å; W141-H144 PolarHBondContact O-N 3.18Å; W141-Y145 HydrophobicContact CZ3-CG 4.48Å; W141-Y145 VanDerWaalsContact O-CB 3.26Å; W141-Y145 WeakPolarHBondContact O-CB 3.32Å; W141-Y145 PolarHBondContact O-N 2.98Å; W141-L326 HydrophobicContact CZ3-CD2 4.38Å; W141-Q371 HydrophobicContact CZ2-CB 4.33Å; W141-W372 HydrophobicContact CH2-CB 3.91Å; W141-W372 AromaticContact CH2-CD1 3.88Å; W141-W372 HydrophobicContact CH2-CG 4.32Å; W141-W372 HydrophobicContact CZ2-CB 3.88Å
142P94.4Very high89Confident1 Ų147 Ų471%0.00626%0.256CS..Hα-helixtrans-55.5-42.9173.8-30.440.1000113.3D140 Y145 I146 L326 Q371 A375 I402D140-P142 VanDerWaalsContact C-N 3.28Å; D140-P142 WeakPolarHBondContact OD1-CD 3.32Å; P142-Y145 PolarHBondContact O-N 2.94Å; P142-I146 WeakPolarHBondContact O-CG1 3.44Å; P142-I146 PolarHBondContact O-N 3.13Å; P142-L326 HydrophobicContact CB-CD2 3.77Å; P142-Q371 HydrophobicContact CG-CB 3.92Å; P142-A375 HydrophobicContact CB-CB 3.88Å; P142-A375 HydrophobicContact CG-CB 4.31Å; P142-I402 HydrophobicContact CB-CD1 3.85Å
143S92.7Very high88.6Confident7 Ų740.1 Ų40.15%0.04923%0.231CC..Hα-helixtrans-64.6-43177.8-69.40000112.6D140 W141 K147 Q399D140-S143 PolarHBondContact O-N 3.22Å; D140-S143 PolarHBondContact OD1-N 3.49Å; D140-S143 PolarHBondContact OD1-OG 3.26Å; D140-S143 WeakPolarHBondContact OD2-CB 3.5Å; D140-S143 PolarHBondContact OD2-OG 3.36Å; W141-S143 VanDerWaalsContact C-N 3.31Å; W141-S143 PolarHBondContact O-N 3.15Å; S143-K147 PolarHBondContact O-N 2.89Å; S143-K147 VanDerWaalsContact O-N 3.14Å; S143-Q399 PolarHBondContact O-NE2 3.43Å
144H93.7Very high88.2Confident60 Ų6035.8 Ų35.828%0.27821%0.207SC..Hα-helixtrans-69.5-36.1176.3-65.2-72.9000112.3L131 S134 D140 W141 K147 L148L131-H144 HydrophobicContact CB-CB 4.09Å; L131-H144 HydrophobicContact CD1-CB 4.02Å; S134-H144 VanDerWaalsContact CB-CD2 3.42Å; S134-H144 WeakPolarHBondContact CB-CD2 3.45Å; S134-H144 PolarHBondContact OG-CD2 3.47Å; S134-H144 VanDerWaalsContact OG-CD2 3.29Å; D140-H144 PolarHBondContact O-CD2 3.3Å; D140-H144 VanDerWaalsContact O-CD2 3.28Å; W141-H144 PolarHBondContact O-N 3.18Å; H144-K147 PolarHBondContact O-N 3.09Å; H144-L148 WeakPolarHBondContact O-CB 3.37Å; H144-L148 PolarHBondContact O-N 3.24Å
145Y94.9Very high87.5Confident21 Ų2136.9 Ų36.98%0.08221%0.212CC..Hα-helixtrans-63-46176.3172.8-100.7000111.3L131 W141 P142 L148 E149 N325 L326L131-Y145 HydrophobicContact CD2-CD2 4.33Å; W141-Y145 HydrophobicContact CZ3-CG 4.48Å; W141-Y145 VanDerWaalsContact O-CB 3.26Å; W141-Y145 WeakPolarHBondContact O-CB 3.32Å; W141-Y145 PolarHBondContact O-N 2.98Å; P142-Y145 PolarHBondContact O-N 2.94Å; Y145-L148 PolarHBondContact O-N 2.92Å; Y145-E149 HydrophobicContact CD1-CG 4.42Å; Y145-E149 HydrophobicContact CD2-CG 4.22Å; Y145-E149 HydrophobicContact CE1-CG 3.91Å; Y145-E149 HydrophobicContact CE2-CG 3.65Å; Y145-E149 WeakPolarHBondContact CE2-OE1 3.48Å; Y145-E149 VanDerWaalsContact CZ-CG 3.48Å; Y145-E149 VanDerWaalsContact CZ-OE1 3.27Å; Y145-E149 WeakPolarHBondContact O-CB 3.17Å; Y145-E149 WeakPolarHBondContact O-CG 3.41Å; Y145-E149 PolarHBondContact O-N 3.22Å; Y145-E149 VanDerWaalsContact OH-CD 3.3Å; Y145-E149 PolarHBondContact OH-OE1 2.86Å; Y145-N325 PolarHBondContact OH-ND2 3.03Å; Y145-L326 HydrophobicContact CD1-CB 4.15Å; Y145-L326 HydrophobicContact CD1-CD2 4.03Å; Y145-L326 HydrophobicContact CD1-CG 4.38Å; Y145-L326 HydrophobicContact CE1-CB 3.89Å
146I94.3Very high86.4Confident0 Ų038.5 Ų38.50%022%0.215CC..Hα-helixtrans-62.2-44.2177.2-76.3-172.7000111.4P142 E149 H150 L326 Y327 A330 L398 I402P142-I146 WeakPolarHBondContact O-CG1 3.44Å; P142-I146 PolarHBondContact O-N 3.13Å; I146-E149 PolarHBondContact O-N 2.97Å; I146-H150 VanDerWaalsContact O-CB 3.29Å; I146-H150 WeakPolarHBondContact O-CB 3.41Å; I146-H150 PolarHBondContact O-N 3.29Å; I146-L326 HydrophobicContact CD1-CG 4.36Å; I146-L326 HydrophobicContact CG1-CG 4.43Å; I146-Y327 HydrophobicContact CB-CD2 4.48Å; I146-Y327 HydrophobicContact CG1-CD2 4.46Å; I146-Y327 HydrophobicContact CG2-CD2 4.19Å; I146-A330 HydrophobicContact CD1-CB 4Å; I146-L398 HydrophobicContact CG2-CB 3.63Å; I146-L398 HydrophobicContact CG2-CD1 4.37Å; I146-I402 HydrophobicContact CD1-CB 4.26Å; I146-I402 HydrophobicContact CD1-CD1 3.71Å; I146-I402 HydrophobicContact CD1-CG1 4Å; I146-I402 HydrophobicContact CD1-CG2 3.38Å
147K91.7Very high85.5Confident63 Ų6336 Ų3627%0.27419%0.188SC..Hα-helixtrans-56.9-51.5176.2172.3166.1-170.8-177.30111.7S143 H144 E149 H150 I151 E395S143-K147 PolarHBondContact O-N 2.89Å; S143-K147 VanDerWaalsContact O-N 3.14Å; H144-K147 PolarHBondContact O-N 3.09Å; K147-E149 PolarHBondContact O-N 3.19Å; K147-H150 WeakPolarHBondContact O-CB 3.33Å; K147-H150 PolarHBondContact O-N 3.43Å; K147-I151 HydrophobicContact CG-CD1 3.77Å; K147-I151 WeakPolarHBondContact O-CG1 3.46Å; K147-I151 PolarHBondContact O-N 3.31Å; K147-E395 HydrophobicContact CB-CG 4.42Å; K147-E395 WeakPolarHBondContact CD-OE1 3.24Å; K147-E395 WeakPolarHBondContact CE-OE1 3.32Å; K147-E395 HydrophobicContact CG-CG 4.38Å; K147-E395 VanDerWaalsContact CG-OE1 3.24Å; K147-E395 WeakPolarHBondContact CG-OE1 3.28Å; K147-E395 IonicContact NZ-OE1 3.65Å
148L92.5Very high84.5Confident5 Ų533.6 Ų33.63%0.02617%0.168CC..Hα-helixtrans-60-47.8179.2177.662.6000111.9F12 I124 A127 Q128 L131 H144 Y145 H150 T152F12-L148 HydrophobicContact CE1-CD2 4.47Å; F12-L148 HydrophobicContact CZ-CD2 4.29Å; I124-L148 HydrophobicContact CG2-CD1 4.31Å; A127-L148 HydrophobicContact CB-CB 4.35Å; A127-L148 HydrophobicContact CB-CD1 3.94Å; Q128-L148 HydrophobicContact CG-CD1 3.73Å; Q128-L148 HydrophobicContact CG-CD2 3.95Å; L131-L148 HydrophobicContact CD2-CD2 3.75Å; H144-L148 WeakPolarHBondContact O-CB 3.37Å; H144-L148 PolarHBondContact O-N 3.24Å; Y145-L148 PolarHBondContact O-N 2.92Å; L148-H150 VanDerWaalsContact C-N 3.28Å; L148-H150 PolarHBondContact O-N 3.39Å; L148-T152 HydrophobicContact CD1-CG2 3.91Å; L148-T152 HydrophobicContact CG-CG2 4.46Å; L148-T152 WeakPolarHBondContact O-CB 2.97Å; L148-T152 VanDerWaalsContact O-CG2 3.23Å; L148-T152 WeakPolarHBondContact O-CG2 3.47Å; L148-T152 PolarHBondContact O-N 3.24Å; L148-T152 PolarHBondContact O-OG1 3.21Å
149E91.9Very high83.6Confident14 Ų1435 Ų357%0.06517%0.165CC..Hα-helixtrans-62.4-35.5177.1-73.2-84.6177.400111.9Y145 I146 K147 T152 K153 Y327Y145-E149 HydrophobicContact CD1-CG 4.42Å; Y145-E149 HydrophobicContact CD2-CG 4.22Å; Y145-E149 HydrophobicContact CE1-CG 3.91Å; Y145-E149 HydrophobicContact CE2-CG 3.65Å; Y145-E149 WeakPolarHBondContact CE2-OE1 3.48Å; Y145-E149 VanDerWaalsContact CZ-CG 3.48Å; Y145-E149 VanDerWaalsContact CZ-OE1 3.27Å; Y145-E149 WeakPolarHBondContact O-CB 3.17Å; Y145-E149 WeakPolarHBondContact O-CG 3.41Å; Y145-E149 PolarHBondContact O-N 3.22Å; Y145-E149 VanDerWaalsContact OH-CD 3.3Å; Y145-E149 PolarHBondContact OH-OE1 2.86Å; I146-E149 PolarHBondContact O-N 2.97Å; K147-E149 PolarHBondContact O-N 3.19Å; E149-T152 WeakPolarHBondContact CA-OG1 3.43Å; E149-T152 PolarHBondContact O-OG1 2.95Å; E149-K153 VanDerWaalsContact O-CB 3.29Å; E149-K153 WeakPolarHBondContact O-CB 3.38Å; E149-K153 WeakPolarHBondContact O-CD 3.39Å; E149-K153 VanDerWaalsContact O-CG 3.3Å; E149-K153 WeakPolarHBondContact O-CG 3.45Å; E149-K153 PolarHBondContact O-N 3.17Å; E149-K153 VanDerWaalsContact O-N 3.1Å; E149-Y327 HydrophobicContact CB-CD1 4.19Å; E149-Y327 HydrophobicContact CB-CD2 3.55Å; E149-Y327 HydrophobicContact CB-CE2 4.12Å; E149-Y327 HydrophobicContact CB-CG 3.57Å; E149-Y327 HydrophobicContact CG-CG 4.32Å
150H90.8Very high82.4Confident19 Ų1934.8 Ų34.89%0.08816%0.162CC..Hα-helixtrans-64.9-56.7176.9-164.584.3000111.5I146 K147 L148 T152 K153 W154 Y327 E395 L398I146-H150 VanDerWaalsContact O-CB 3.29Å; I146-H150 WeakPolarHBondContact O-CB 3.41Å; I146-H150 PolarHBondContact O-N 3.29Å; K147-H150 WeakPolarHBondContact O-CB 3.33Å; K147-H150 PolarHBondContact O-N 3.43Å; L148-H150 VanDerWaalsContact C-N 3.28Å; L148-H150 PolarHBondContact O-N 3.39Å; H150-T152 VanDerWaalsContact C-N 3.31Å; H150-T152 PolarHBondContact O-N 2.96Å; H150-K153 PolarHBondContact O-N 3.27Å; H150-K153 VanDerWaalsContact O-N 3.16Å; H150-W154 AromaticContact CD2-CD1 3.81Å; H150-W154 AromaticContact CE1-CD1 3.32Å; H150-W154 AromaticContact CE1-NE1 3.61Å; H150-W154 AromaticContact CG-CD1 3.76Å; H150-W154 AromaticContact ND1-CD1 3.47Å; H150-W154 AromaticContact ND1-NE1 3.69Å; H150-W154 AromaticContact NE2-CD1 3.55Å; H150-W154 PolarHBondContact O-N 2.98Å; H150-Y327 HydrophobicContact CB-CE2 3.77Å; H150-Y327 AromaticContact ND1-CE2 3.94Å; H150-Y327 PolarHBondContact ND1-OH 3.11Å; H150-E395 HydrophobicContact CB-CG 4.48Å; H150-L398 VanDerWaalsContact ND1-CD1 3.29Å; H150-L398 WeakPolarHBondContact ND1-CD1 3.05Å
151I86.9Confident81Confident21 Ų2132.9 Ų32.911%0.10815%0.153CC..Hα-helixtrans-57.7-47.3-178.6-64.1167.1000110.1I124 A127 K147 K153 W154 H155 E395I124-I151 HydrophobicContact CG1-CG2 3.78Å; A127-I151 HydrophobicContact CB-CD1 4.34Å; K147-I151 HydrophobicContact CG-CD1 3.77Å; K147-I151 WeakPolarHBondContact O-CG1 3.46Å; K147-I151 PolarHBondContact O-N 3.31Å; I151-K153 VanDerWaalsContact C-N 3.29Å; I151-K153 PolarHBondContact O-N 2.94Å; I151-W154 PolarHBondContact O-N 3.31Å; I151-H155 VanDerWaalsContact O-CB 3.31Å; I151-H155 WeakPolarHBondContact O-CB 3.45Å; I151-H155 PolarHBondContact O-N 2.92Å; I151-H155 PolarHBondContact O-ND1 3.44Å; I151-E395 WeakPolarHBondContact CG1-OE2 3.24Å
152T85.9Confident79.1Confident50 Ų5032.1 Ų32.131%0.30715%0.152SC..Hα-helixtrans-65.4-29.6-178.753.80000113.5I124 L148 E149 H150 H155I124-T152 HydrophobicContact CD1-CG2 4.3Å; I124-T152 HydrophobicContact CG1-CG2 4.13Å; I124-T152 HydrophobicContact CG2-CG2 4.04Å; L148-T152 HydrophobicContact CD1-CG2 3.91Å; L148-T152 HydrophobicContact CG-CG2 4.46Å; L148-T152 WeakPolarHBondContact O-CB 2.97Å; L148-T152 VanDerWaalsContact O-CG2 3.23Å; L148-T152 WeakPolarHBondContact O-CG2 3.47Å; L148-T152 PolarHBondContact O-N 3.24Å; L148-T152 PolarHBondContact O-OG1 3.21Å; E149-T152 WeakPolarHBondContact CA-OG1 3.43Å; E149-T152 PolarHBondContact O-OG1 2.95Å; H150-T152 VanDerWaalsContact C-N 3.31Å; H150-T152 PolarHBondContact O-N 2.96Å; T152-H155 PolarHBondContact O-CE1 2.93Å; T152-H155 PolarHBondContact O-ND1 3.44Å
153K84.6Confident77Confident46 Ų4632.4 Ų32.420%0.215%0.154CC..Hα-helixtrans-80.2-39.8175.9-80171.4167.7-82.30113.3E149 H150 I151 D286 T288 Y327E149-K153 VanDerWaalsContact O-CB 3.29Å; E149-K153 WeakPolarHBondContact O-CB 3.38Å; E149-K153 WeakPolarHBondContact O-CD 3.39Å; E149-K153 VanDerWaalsContact O-CG 3.3Å; E149-K153 WeakPolarHBondContact O-CG 3.45Å; E149-K153 PolarHBondContact O-N 3.17Å; E149-K153 VanDerWaalsContact O-N 3.1Å; H150-K153 PolarHBondContact O-N 3.27Å; H150-K153 VanDerWaalsContact O-N 3.16Å; I151-K153 VanDerWaalsContact C-N 3.29Å; I151-K153 PolarHBondContact O-N 2.94Å; K153-D286 IonicContact NZ-OD1 3.14Å; K153-D286 IonicContact NZ-OD2 3.75Å; K153-D286 PolarHBondContact NZ-OD2 3.17Å; K153-T288 PolarHBondContact NZ-OG1 2.97Å; K153-Y327 HydrophobicContact CD-CD1 3.84Å; K153-Y327 HydrophobicContact CD-CE1 3.25Å
154W82.3Confident75.1Confident15 Ų1534.8 Ų34.86%0.05716%0.163CC..Hα-helixtrans-102.3-17.5-167-61.5108000115.2H150 I151 K156 F157 D158 V289 R292 Y327 F331H150-W154 AromaticContact CD2-CD1 3.81Å; H150-W154 AromaticContact CE1-CD1 3.32Å; H150-W154 AromaticContact CE1-NE1 3.61Å; H150-W154 AromaticContact CG-CD1 3.76Å; H150-W154 AromaticContact ND1-CD1 3.47Å; H150-W154 AromaticContact ND1-NE1 3.69Å; H150-W154 AromaticContact NE2-CD1 3.55Å; H150-W154 PolarHBondContact O-N 2.98Å; I151-W154 PolarHBondContact O-N 3.31Å; W154-K156 PolarHBondContact O-N 3.4Å; W154-F157 HydrophobicContact CE3-CB 3.94Å; W154-F157 HydrophobicContact CE3-CD2 4.06Å; W154-F157 HydrophobicContact CE3-CG 4Å; W154-F157 HydrophobicContact CZ3-CD2 4.35Å; W154-F157 HydrophobicContact CZ3-CG 4.22Å; W154-F157 WeakPolarHBondContact O-CA 3.35Å; W154-F157 WeakPolarHBondContact O-CB 3.49Å; W154-F157 PolarHBondContact O-N 3.3Å; W154-D158 PolarHBondContact O-N 3.05Å; W154-V289 HydrophobicContact CH2-CG2 4.44Å; W154-R292 HydrophobicContact CH2-CB 3.31Å; W154-R292 HydrophobicContact CH2-CG 3.52Å; W154-R292 HydrophobicContact CZ2-CB 3.96Å; W154-R292 HydrophobicContact CZ2-CG 4.22Å; W154-R292 HydrophobicContact CZ3-CB 4.08Å; W154-R292 HydrophobicContact CZ3-CG 3.81Å; W154-Y327 PolarHBondContact NE1-OH 2.77Å; W154-F331 HydrophobicContact CH2-CZ 4.43Å; W154-F331 HydrophobicContact CZ2-CE1 4.44Å; W154-F331 AromaticContact CZ2-CE2 3.88Å; W154-F331 HydrophobicContact CZ2-CE2 3.88Å; W154-F331 AromaticContact CZ2-CZ 3.6Å; W154-F331 HydrophobicContact CZ2-CZ 3.6Å; W154-F331 AromaticContact NE1-CE2 3.9Å
155H74.2Confident72.8Confident31 Ų3138.1 Ų38.114%0.14418%0.179CC..THydrogen-bonded Turntrans-51.1-38.2-178.268-76.7000114Y120 I151 T152Y120-H155 HydrophobicContact CD1-CB 3.43Å; Y120-H155 VanDerWaalsContact CD1-CB 3.43Å; Y120-H155 HydrophobicContact CD2-CB 4.15Å; Y120-H155 HydrophobicContact CE1-CB 3.7Å; Y120-H155 HydrophobicContact CE2-CB 4.37Å; Y120-H155 HydrophobicContact CG-CB 3.67Å; I151-H155 VanDerWaalsContact O-CB 3.31Å; I151-H155 WeakPolarHBondContact O-CB 3.45Å; I151-H155 PolarHBondContact O-N 2.92Å; I151-H155 PolarHBondContact O-ND1 3.44Å; T152-H155 PolarHBondContact O-CE1 2.93Å; T152-H155 PolarHBondContact O-ND1 3.44Å
156K66.9Low70.2Confident135 Ų13542.5 Ų42.559%0.58720%0.203SC*.THydrogen-bonded Turntrans-75.2-27.6177.1-58.1-168.1176.8-174.50114.2W154W154-K156 PolarHBondContact O-N 3.4Å
157F66Low67.5Low37 Ų3750.1 Ų50.116%0.16224%0.244CC..THydrogen-bonded Turntrans-80.6-29.4178.4-78.3-90.6000111.7W154 E159 V236 T239 Q240 V289W154-F157 HydrophobicContact CE3-CB 3.94Å; W154-F157 HydrophobicContact CE3-CD2 4.06Å; W154-F157 HydrophobicContact CE3-CG 4Å; W154-F157 HydrophobicContact CZ3-CD2 4.35Å; W154-F157 HydrophobicContact CZ3-CG 4.22Å; W154-F157 WeakPolarHBondContact O-CA 3.35Å; W154-F157 WeakPolarHBondContact O-CB 3.49Å; W154-F157 PolarHBondContact O-N 3.3Å; F157-E159 VanDerWaalsContact C-N 3.28Å; F157-V236 HydrophobicContact CE1-CG1 3.8Å; F157-V236 HydrophobicContact CZ-CG1 3.91Å; F157-T239 HydrophobicContact CD1-CG2 4.46Å; F157-T239 HydrophobicContact CE1-CG2 4.28Å; F157-Q240 HydrophobicContact CD1-CG 3.7Å; F157-Q240 HydrophobicContact CE1-CG 4.14Å; F157-V289 HydrophobicContact CE1-CG1 4.32Å; F157-V289 HydrophobicContact CE2-CG2 4.43Å; F157-V289 HydrophobicContact CZ-CG1 4.11Å; F157-V289 HydrophobicContact CZ-CG2 4.19Å
158D61.5Low64.9Low30 Ų3053.3 Ų53.316%0.1626%0.264CS..SBendtrans-80.7-8.3177.6-75.2-42.9000113.3W154 G160 S161 I162 H243W154-D158 PolarHBondContact O-N 3.05Å; D158-G160 PolarHBondContact O-N 3.15Å; D158-G160 VanDerWaalsContact O-N 3.13Å; D158-S161 WeakPolarHBondContact CA-OG 3.42Å; D158-S161 PolarHBondContact O-N 3.08Å; D158-S161 PolarHBondContact O-OG 3.46Å; D158-S161 PolarHBondContact OD1-OG 3.06Å; D158-I162 HydrophobicContact CB-CD1 3.72Å; D158-I162 HydrophobicContact CB-CG1 4.17Å; D158-I162 PolarHBondContact O-N 3.42Å; D158-H243 IonicContact OD1-CD2 3.33Å; D158-H243 IonicContact OD1-CE1 2.73Å; D158-H243 IonicContact OD1-NE2 2.56Å; D158-H243 PolarHBondContact OD1-NE2 3.15Å
159E54.8Low62.5Low69 Ų6960.7 Ų60.732%0.32230%0.304SS..THydrogen-bonded Turntrans-52.3117.9172.4-77-171.1-158.100110.8R114 F157R114-E159 IonicContact CZ-OE2 3.04Å; R114-E159 IonicContact NE-OE2 3.76Å; R114-E159 IonicContact NH2-OE2 3.97Å; R114-E159 PolarHBondContact NH2-OE2 3.2Å; F157-E159 VanDerWaalsContact C-N 3.28Å
160G54.1Low60.2Low1 Ų165.4 Ų65.41%0.0133%0.33CS..THydrogen-bonded Turntrans87.3-7.5-177.700000116.5D158 G205 Y206 N209D158-G160 PolarHBondContact O-N 3.15Å; D158-G160 VanDerWaalsContact O-N 3.13Å; G160-G205 CarbonylContact O-C 3.57Å; G160-G205 VanDerWaalsContact O-O 3.06Å; G160-Y206 VanDerWaalsContact CA-CD1 3.46Å; G160-Y206 PolarHBondContact O-N 2.92Å; G160-N209 PolarHBondContact O-ND2 2.96Å
161S54.8Low58.3Low9 Ų970.4 Ų70.46%0.06335%0.348CS..THydrogen-bonded Turntrans-103-12.4177.482.50000114.1D158 K247D158-S161 WeakPolarHBondContact CA-OG 3.42Å; D158-S161 PolarHBondContact O-N 3.08Å; D158-S161 PolarHBondContact O-OG 3.46Å; D158-S161 PolarHBondContact OD1-OG 3.06Å; S161-K247 PolarHBondContact O-NZ 3Å; S161-K247 PolarHBondContact OG-NZ 2.91Å
162I52.9Low56.8Low41 Ų4174.2 Ų74.221%0.2137%0.369CS..  trans-118.6115.5174.3-55.5175.8000105.9N117 D158N117-I162 PolarHBondContact ND2-O 2.81Å; N117-I162 PolarHBondContact OD1-O 3.29Å; D158-I162 HydrophobicContact CB-CD1 3.72Å; D158-I162 HydrophobicContact CB-CG1 4.17Å; D158-I162 PolarHBondContact O-N 3.42Å
163L49.4Very low55.9Low6 Ų674.6 Ų74.63%0.03137%0.365CS..  trans-116.1-35.7-178.2-95.1157.4000113.1L113 Y206 N209 F210L113-L163 HydrophobicContact CB-CD2 3.87Å; L113-L163 HydrophobicContact CD1-CD2 4.15Å; L113-L163 HydrophobicContact CD2-CD2 3.61Å; L113-L163 HydrophobicContact CG-CD2 4.04Å; L163-Y206 HydrophobicContact CD1-CD1 4.4Å; L163-N209 HydrophobicContact CD1-CB 3.42Å; L163-N209 VanDerWaalsContact CD1-CB 3.42Å; L163-N209 WeakPolarHBondContact CD1-ND2 3.47Å; L163-F210 HydrophobicContact CD1-CE1 3.5Å; L163-F210 HydrophobicContact CD1-CE2 4.07Å; L163-F210 HydrophobicContact CD1-CZ 3.21Å; L163-F210 HydrophobicContact CD2-CE1 4.41Å; L163-F210 HydrophobicContact CD2-CZ 4.01Å; L163-F210 HydrophobicContact CG-CE1 4.5Å; L163-F210 HydrophobicContact CG-CZ 4.25Å
164F52.5Low55.5Low57 Ų5777.2 Ų77.225%0.2539%0.389CS..  trans-138.5104-173.6-51.9-63.2000109.5N166 Y171 Y173 M176 F210F164-N166 PolarHBondContact O-N 3.25Å; F164-Y171 HydrophobicContact CD2-CD1 4.37Å; F164-Y171 HydrophobicContact CD2-CE1 4.12Å; F164-Y171 AromaticContact CE2-CD1 3.94Å; F164-Y171 HydrophobicContact CE2-CD1 3.94Å; F164-Y171 AromaticContact CE2-CE1 3.78Å; F164-Y171 HydrophobicContact CE2-CE1 3.78Å; F164-Y173 HydrophobicContact CD1-CD2 4.14Å; F164-Y173 AromaticContact CD1-CE2 3.51Å; F164-Y173 HydrophobicContact CD1-CE2 3.51Å; F164-Y173 AromaticContact CE1-CD2 3.8Å; F164-Y173 HydrophobicContact CE1-CD2 3.8Å; F164-Y173 AromaticContact CE1-CE2 3.6Å; F164-Y173 HydrophobicContact CE1-CE2 3.6Å; F164-M176 HydrophobicContact CE1-SD 3.77Å; F164-M176 HydrophobicContact CE2-CE 3.97Å; F164-M176 HydrophobicContact CE2-SD 4.18Å; F164-M176 HydrophobicContact CZ-CE 3.51Å; F164-M176 HydrophobicContact CZ-SD 3.32Å; F164-M176 WeakPolarHBondContact CZ-SD 3.42Å; F164-F210 HydrophobicContact CE2-CE1 4.12Å; F164-F210 HydrophobicContact CZ-CE1 4.27Å
165H45.1Very low55.3Low131 Ų13177.5 Ų77.561%0.60639%0.39SS*.  trans-74.2-10.4170.3-108.6-57.6000112.6N167H165-N167 PolarHBondContact O-N 3.21Å
166N40.3Very low55.4Low112 Ų11276.1 Ų76.160%0.59938%0.384SS*.  trans-77.5110.2178.9-77.4-12.7000110.2F164 N168F164-N166 PolarHBondContact O-N 3.25Å; N166-N168 PolarHBondContact O-N 3.17Å
167N38.1Very low55.9Low160 Ų16075.9 Ų75.986%0.85638%0.383SS*.  trans-61.81.6172.5-82.1-19.1000114.6H165 N169H165-N167 PolarHBondContact O-N 3.21Å; N167-N169 PolarHBondContact O-N 3.06Å
168N37.6Very low56.9Low130 Ų13075.6 Ų75.670%0.69539%0.385SS*.SBendtrans-79.9112.8169.7-70.9-4.6000106.8N166 D170N166-N168 PolarHBondContact O-N 3.17Å; N168-D170 PolarHBondContact O-N 3.05Å
169N42.6Very low58.2Low161 Ų16182.3 Ų82.386%0.86142%0.416SS*.  trans-57.56.9179.3-86.6-31.3000115.3N167N167-N169 PolarHBondContact O-N 3.06Å
170D42.7Very low59.8Low113 Ų11384.1 Ų84.160%0.60442%0.423SS*.  trans-93.6114.3175.1-71.2-43.6000109.7N168 D172N168-D170 PolarHBondContact O-N 3.05Å; D170-D172 HydrophobicContact CB-CB 3.79Å; D170-D172 PolarHBondContact O-N 3.38Å
171Y51Low61.5Low123 Ų12384 Ų8448%0.48242%0.422SS..  trans-61.656.2155.7-64.4-90.4000109.8F164 Y173 M176 K177F164-Y171 HydrophobicContact CD2-CD1 4.37Å; F164-Y171 HydrophobicContact CD2-CE1 4.12Å; F164-Y171 AromaticContact CE2-CD1 3.94Å; F164-Y171 HydrophobicContact CE2-CD1 3.94Å; F164-Y171 AromaticContact CE2-CE1 3.78Å; F164-Y171 HydrophobicContact CE2-CE1 3.78Å; Y171-Y173 PolarHBondContact O-N 2.98Å; Y171-M176 HydrophobicContact CD1-CE 3.76Å; Y171-M176 HydrophobicContact CD1-SD 4.21Å; Y171-M176 HydrophobicContact CE1-CE 4.35Å; Y171-K177 WeakPolarHBondContact O-CE 3.32Å
172D55.3Low63.1Low101 Ų10185.5 Ų85.554%0.5443%0.429SS..  trans-87.616.8-169.6-107.61.7000113.4D170 S174 K177D170-D172 HydrophobicContact CB-CB 3.79Å; D170-D172 PolarHBondContact O-N 3.38Å; D172-S174 PolarHBondContact O-N 3.31Å; D172-K177 IonicContact OD1-NZ 3.91Å; D172-K177 PolarHBondContact OD1-NZ 3.03Å
173Y67.7Low64.9Low59 Ų5987.4 Ų87.423%0.23144%0.44CS..  trans-71.2108.9162.4-64.4-72.5000109Q116 F164 Y171 W175 M176 K177Q116-Y173 PolarHBondContact OE1-OH 2.48Å; F164-Y173 HydrophobicContact CD1-CD2 4.14Å; F164-Y173 AromaticContact CD1-CE2 3.51Å; F164-Y173 HydrophobicContact CD1-CE2 3.51Å; F164-Y173 AromaticContact CE1-CD2 3.8Å; F164-Y173 HydrophobicContact CE1-CD2 3.8Å; F164-Y173 AromaticContact CE1-CE2 3.6Å; F164-Y173 HydrophobicContact CE1-CE2 3.6Å; Y171-Y173 PolarHBondContact O-N 2.98Å; Y173-W175 AromaticContact CD1-NE1 3.54Å; Y173-W175 HydrophobicContact CG-CZ2 4.16Å; Y173-W175 AromaticContact CG-NE1 3.72Å; Y173-W175 PolarHBondContact O-N 3.38Å; Y173-M176 HydrophobicContact CD2-SD 3.93Å; Y173-M176 HydrophobicContact CG-SD 4.44Å; Y173-M176 WeakPolarHBondContact O-CB 3.42Å; Y173-M176 PolarHBondContact O-N 3.25Å; Y173-K177 PolarHBondContact O-N 3.21Å
174S74.8Confident66.8Low100 Ų10087.3 Ų87.370%0.69944%0.439SS*.THydrogen-bonded Turntrans-52-38.5176.855.20000112.5D172 M176 K177D172-S174 PolarHBondContact O-N 3.31Å; S174-M176 VanDerWaalsContact C-N 3.31Å; S174-M176 PolarHBondContact O-N 3.03Å; S174-K177 PolarHBondContact O-N 2.99Å; S174-K177 VanDerWaalsContact O-N 3.14Å
175W78.8Confident68.6Low21 Ų2184.6 Ų84.68%0.0843%0.427CS..THydrogen-bonded Turntrans-65.1-31.7177.665.1-102.8000112.9A89 L93 L112 L113 Q116 Y173 K177 S178 F181A89-W175 HydrophobicContact CB-CG 4.27Å; L93-W175 HydrophobicContact CD1-CB 3.86Å; L112-W175 HydrophobicContact CD2-CE3 3.62Å; L112-W175 HydrophobicContact CD2-CH2 3.94Å; L112-W175 HydrophobicContact CD2-CZ3 3.2Å; L112-W175 HydrophobicContact CG-CE3 4.24Å; L112-W175 HydrophobicContact CG-CH2 4.38Å; L112-W175 HydrophobicContact CG-CZ3 3.99Å; L113-W175 HydrophobicContact CD2-CH2 4.13Å; Q116-W175 HydrophobicContact CG-CZ2 3.89Å; Y173-W175 AromaticContact CD1-NE1 3.54Å; Y173-W175 HydrophobicContact CG-CZ2 4.16Å; Y173-W175 AromaticContact CG-NE1 3.72Å; Y173-W175 PolarHBondContact O-N 3.38Å; W175-K177 VanDerWaalsContact C-N 3.29Å; W175-K177 PolarHBondContact O-N 2.84Å; W175-S178 VanDerWaalsContact O-CB 3.27Å; W175-S178 WeakPolarHBondContact O-CB 3.32Å; W175-S178 PolarHBondContact O-N 3.43Å; W175-S178 PolarHBondContact O-OG 3.04Å; W175-F181 HydrophobicContact CE3-CD2 4.11Å; W175-F181 HydrophobicContact CE3-CG 4.41Å; W175-F181 AromaticContact CZ3-CD2 3.75Å; W175-F181 HydrophobicContact CZ3-CD2 3.75Å; W175-F181 AromaticContact CZ3-CE2 3.7Å; W175-F181 HydrophobicContact CZ3-CE2 3.7Å; W175-F181 HydrophobicContact CZ3-CG 4.32Å; W175-F181 HydrophobicContact CZ3-CZ 4.23Å; W175-F181 WeakPolarHBondContact O-CB 3.38Å
176M76.5Confident70.7Confident3 Ų381.9 Ų81.92%0.01542%0.416CS..THydrogen-bonded Turntrans-64.4-39.3174.4-74.6-174.678.200109.8F164 Y171 Y173 S174 S178 F181 F210 R213F164-M176 HydrophobicContact CE1-SD 3.77Å; F164-M176 HydrophobicContact CE2-CE 3.97Å; F164-M176 HydrophobicContact CE2-SD 4.18Å; F164-M176 HydrophobicContact CZ-CE 3.51Å; F164-M176 HydrophobicContact CZ-SD 3.32Å; F164-M176 WeakPolarHBondContact CZ-SD 3.42Å; Y171-M176 HydrophobicContact CD1-CE 3.76Å; Y171-M176 HydrophobicContact CD1-SD 4.21Å; Y171-M176 HydrophobicContact CE1-CE 4.35Å; Y173-M176 HydrophobicContact CD2-SD 3.93Å; Y173-M176 HydrophobicContact CG-SD 4.44Å; Y173-M176 WeakPolarHBondContact O-CB 3.42Å; Y173-M176 PolarHBondContact O-N 3.25Å; S174-M176 VanDerWaalsContact C-N 3.31Å; S174-M176 PolarHBondContact O-N 3.03Å; M176-S178 PolarHBondContact O-N 3.47Å; M176-S178 VanDerWaalsContact O-N 3.14Å; M176-F181 HydrophobicContact CE-CE1 4.38Å; M176-F181 VanDerWaalsContact O-CD1 3.29Å; M176-F181 WeakPolarHBondContact O-CD1 3.42Å; M176-F210 HydrophobicContact CE-CD1 3.96Å; M176-F210 HydrophobicContact CE-CE1 3.77Å; M176-R213 PolarHBondContact O-NH1 3.27Å; M176-R213 PolarHBondContact O-NH2 3.23Å
177K78.4Confident73.1Confident129 Ų12978.1 Ų78.156%0.56140%0.398SS*.THydrogen-bonded Turntrans-71.4-1.4179.1-60.8177.6-172.9169.40113.2Y171 D172 Y173 S174 W175Y171-K177 WeakPolarHBondContact O-CE 3.32Å; D172-K177 IonicContact OD1-NZ 3.91Å; D172-K177 PolarHBondContact OD1-NZ 3.03Å; Y173-K177 PolarHBondContact O-N 3.21Å; S174-K177 PolarHBondContact O-N 2.99Å; S174-K177 VanDerWaalsContact O-N 3.14Å; W175-K177 VanDerWaalsContact C-N 3.29Å; W175-K177 PolarHBondContact O-N 2.84Å
178S85.7Confident75.6Confident31 Ų3170.5 Ų70.522%0.21736%0.357CS..SBendtrans-77.8144-179.2760000112.9W175 M176 K180 F181 D182W175-S178 VanDerWaalsContact O-CB 3.27Å; W175-S178 WeakPolarHBondContact O-CB 3.32Å; W175-S178 PolarHBondContact O-N 3.43Å; W175-S178 PolarHBondContact O-OG 3.04Å; M176-S178 PolarHBondContact O-N 3.47Å; M176-S178 VanDerWaalsContact O-N 3.14Å; S178-K180 PolarHBondContact O-N 2.92Å; S178-F181 PolarHBondContact O-N 3.45Å; S178-F181 VanDerWaalsContact O-N 3.17Å; S178-F181 WeakPolarHBondContact OG-CB 3.36Å; S178-F181 PolarHBondContact OG-N 2.99Å; S178-F181 VanDerWaalsContact OG-N 3.14Å; S178-D182 PolarHBondContact O-N 3.29Å
179E88.5Confident78.1Confident171 Ų17164.8 Ų64.880%0.79933%0.328SS*.Hα-helixtrans-61.6-28171.9-64.5179.9175.800112.1D182 L183E179-D182 PolarHBondContact O-N 2.92Å; E179-L183 WeakPolarHBondContact O-CB 3.36Å; E179-L183 PolarHBondContact O-N 2.93Å
180K90.1Very high80.4Confident107 Ų10760.9 Ų60.947%0.46532%0.318SS..Hα-helixtrans-64.6-40.1175.6-61.3-168.6-176.8-168.20111.8L93 D94 S178 L183 L184L93-K180 HydrophobicContact CB-CB 4.21Å; L93-K180 HydrophobicContact CB-CD 4.37Å; L93-K180 HydrophobicContact CD2-CB 4.31Å; L93-K180 WeakPolarHBondContact O-CD 3.4Å; D94-K180 IonicContact OD1-NZ 2.57Å; D94-K180 PolarHBondContact OD1-NZ 3.39Å; S178-K180 PolarHBondContact O-N 2.92Å; K180-L183 PolarHBondContact O-N 3.46Å; K180-L184 WeakPolarHBondContact O-CB 3.49Å; K180-L184 PolarHBondContact O-N 3.05Å
181F88.7Confident82.6Confident0 Ų057.4 Ų57.40%030%0.302CS..Hα-helixtrans-66.8-43.2174.1177.7-106.2000111.4L93 L109 L112 L113 W175 M176 S178 L183 L184 V185 F210L93-F181 HydrophobicContact CD2-CB 4.06Å; L93-F181 HydrophobicContact CD2-CD2 4.5Å; L109-F181 HydrophobicContact CD1-CE2 3.97Å; L112-F181 HydrophobicContact CD2-CD2 3.44Å; L112-F181 VanDerWaalsContact CD2-CD2 3.44Å; L112-F181 HydrophobicContact CD2-CE2 3.57Å; L113-F181 HydrophobicContact CD2-CE2 4.24Å; L113-F181 HydrophobicContact CD2-CZ 4.44Å; W175-F181 HydrophobicContact CE3-CD2 4.11Å; W175-F181 HydrophobicContact CE3-CG 4.41Å; W175-F181 AromaticContact CZ3-CD2 3.75Å; W175-F181 HydrophobicContact CZ3-CD2 3.75Å; W175-F181 AromaticContact CZ3-CE2 3.7Å; W175-F181 HydrophobicContact CZ3-CE2 3.7Å; W175-F181 HydrophobicContact CZ3-CG 4.32Å; W175-F181 HydrophobicContact CZ3-CZ 4.23Å; W175-F181 WeakPolarHBondContact O-CB 3.38Å; M176-F181 HydrophobicContact CE-CE1 4.38Å; M176-F181 VanDerWaalsContact O-CD1 3.29Å; M176-F181 WeakPolarHBondContact O-CD1 3.42Å; S178-F181 PolarHBondContact O-N 3.45Å; S178-F181 VanDerWaalsContact O-N 3.17Å; S178-F181 WeakPolarHBondContact OG-CB 3.36Å; S178-F181 PolarHBondContact OG-N 2.99Å; S178-F181 VanDerWaalsContact OG-N 3.14Å; F181-L183 VanDerWaalsContact C-N 3.31Å; F181-L183 PolarHBondContact O-N 3.31Å; F181-L184 PolarHBondContact O-N 3.42Å; F181-V185 HydrophobicContact CD1-CG2 4.32Å; F181-V185 HydrophobicContact CD2-CG2 4.23Å; F181-V185 HydrophobicContact CE1-CG2 3.85Å; F181-V185 HydrophobicContact CE2-CG2 3.74Å; F181-V185 HydrophobicContact CZ-CG2 3.54Å; F181-V185 WeakPolarHBondContact O-CG2 3.3Å; F181-V185 PolarHBondContact O-N 3.37Å; F181-F210 HydrophobicContact CZ-CE2 4.46Å; F181-F210 HydrophobicContact CZ-CZ 4.39Å
182D88.3Confident84.4Confident39 Ų3951.6 Ų51.621%0.20928%0.279CS..Hα-helixtrans-60.3-42.8176-72.7-32.5000111.9S178 E179 V185 L186 R213 Y214S178-D182 PolarHBondContact O-N 3.29Å; E179-D182 PolarHBondContact O-N 2.92Å; D182-V185 PolarHBondContact O-N 2.64Å; D182-L186 VanDerWaalsContact O-CB 3.31Å; D182-L186 WeakPolarHBondContact O-CB 3.28Å; D182-L186 VanDerWaalsContact O-CG 3.25Å; D182-L186 WeakPolarHBondContact O-CG 3.15Å; D182-L186 PolarHBondContact O-N 3.38Å; D182-R213 IonicContact OD1-CZ 3.81Å; D182-R213 IonicContact OD1-NE 2.79Å; D182-R213 PolarHBondContact OD1-NE 3.24Å; D182-R213 IonicContact OD1-NH1 3.73Å; D182-R213 IonicContact OD1-NH2 2.89Å; D182-R213 PolarHBondContact OD1-NH2 3.46Å; D182-R213 IonicContact OD2-CZ 3.73Å; D182-R213 IonicContact OD2-NE 3.76Å; D182-R213 IonicContact OD2-NH2 3.2Å; D182-R213 PolarHBondContact OD2-NH2 3.46Å; D182-Y214 HydrophobicContact CB-CE1 4.29Å; D182-Y214 WeakPolarHBondContact OD1-CE1 3.39Å; D182-Y214 VanDerWaalsContact OD1-CZ 3.29Å; D182-Y214 PolarHBondContact OD1-OH 2.87Å
183L90.3Very high86.1Confident82 Ų8251.9 Ų51.943%0.42928%0.281SS..Hα-helixtrans-60.5-46.6174.2-173.663.9000111.1I97 E179 K180 F181 V185 L186 T187I97-L183 HydrophobicContact CD1-CB 4.39Å; I97-L183 HydrophobicContact CD1-CD2 4.29Å; I97-L183 HydrophobicContact CD1-CG 3.78Å; I97-L183 WeakPolarHBondContact CD1-O 3.43Å; I97-L183 HydrophobicContact CG1-CD2 4.31Å; I97-L183 HydrophobicContact CG1-CG 4.29Å; E179-L183 WeakPolarHBondContact O-CB 3.36Å; E179-L183 PolarHBondContact O-N 2.93Å; K180-L183 PolarHBondContact O-N 3.46Å; F181-L183 VanDerWaalsContact C-N 3.31Å; F181-L183 PolarHBondContact O-N 3.31Å; L183-V185 PolarHBondContact O-N 3.33Å; L183-L186 PolarHBondContact O-N 3.22Å; L183-T187 WeakPolarHBondContact O-CB 3.47Å; L183-T187 PolarHBondContact O-N 3.43Å; L183-T187 PolarHBondContact O-OG1 3.29Å
184L90.7Very high87.2Confident3 Ų352.7 Ų52.72%0.01630%0.295CS..Hα-helixtrans-59-47.5177.6177.262000112.7L93 I97 C108 L109 K180 F181 T188L93-L184 HydrophobicContact CD2-CD2 4.32Å; I97-L184 HydrophobicContact CD1-CB 4.13Å; I97-L184 HydrophobicContact CD1-CD1 4.31Å; I97-L184 HydrophobicContact CG2-CD1 3.92Å; C108-L184 HydrophobicContact CB-CD1 3.96Å; C108-L184 HydrophobicContact CB-CD2 4.39Å; L109-L184 HydrophobicContact CB-CD1 4.41Å; L109-L184 HydrophobicContact CB-CD2 4.23Å; L109-L184 HydrophobicContact CB-CG 4.19Å; L109-L184 HydrophobicContact CD1-CD2 4.25Å; L109-L184 HydrophobicContact CD1-CG 4.31Å; K180-L184 WeakPolarHBondContact O-CB 3.49Å; K180-L184 PolarHBondContact O-N 3.05Å; F181-L184 PolarHBondContact O-N 3.42Å; L184-T188 VanDerWaalsContact O-CB 3.32Å; L184-T188 WeakPolarHBondContact O-CB 3.03Å; L184-T188 PolarHBondContact O-N 3.34Å; L184-T188 PolarHBondContact O-OG1 3.27Å
185V88.7Confident88Confident1 Ų148.9 Ų48.91%0.00627%0.267CS..Hα-helixtrans-65.8-47.3180174.20000111.2L109 F181 D182 L183 T188 A189 F207 Y214L109-V185 HydrophobicContact CD1-CG2 3.76Å; F181-V185 HydrophobicContact CD1-CG2 4.32Å; F181-V185 HydrophobicContact CD2-CG2 4.23Å; F181-V185 HydrophobicContact CE1-CG2 3.85Å; F181-V185 HydrophobicContact CE2-CG2 3.74Å; F181-V185 HydrophobicContact CZ-CG2 3.54Å; F181-V185 WeakPolarHBondContact O-CG2 3.3Å; F181-V185 PolarHBondContact O-N 3.37Å; D182-V185 PolarHBondContact O-N 2.64Å; L183-V185 PolarHBondContact O-N 3.33Å; V185-T188 PolarHBondContact O-N 3.22Å; V185-A189 WeakPolarHBondContact O-CB 3.44Å; V185-A189 PolarHBondContact O-N 2.93Å; V185-F207 HydrophobicContact CG1-CD2 3.94Å; V185-F207 HydrophobicContact CG1-CE2 3.5Å; V185-F207 VanDerWaalsContact CG1-CE2 3.5Å; V185-F207 HydrophobicContact CG1-CZ 4.35Å; V185-Y214 HydrophobicContact CB-CE2 4.17Å; V185-Y214 HydrophobicContact CG1-CD2 4.04Å; V185-Y214 HydrophobicContact CG1-CE1 4.43Å; V185-Y214 HydrophobicContact CG1-CE2 3.52Å; V185-Y214 HydrophobicContact CG2-CE2 4.48Å
186L89.6Confident88.5Confident73 Ų7349.7 Ų49.738%0.38228%0.276SS..Hα-helixtrans-68.7-40.4-177.6-70174.7000112.3D182 L183 A189 A190 Y214 V218D182-L186 VanDerWaalsContact O-CB 3.31Å; D182-L186 WeakPolarHBondContact O-CB 3.28Å; D182-L186 VanDerWaalsContact O-CG 3.25Å; D182-L186 WeakPolarHBondContact O-CG 3.15Å; D182-L186 PolarHBondContact O-N 3.38Å; L183-L186 PolarHBondContact O-N 3.22Å; L186-A189 PolarHBondContact O-N 2.78Å; L186-A190 WeakPolarHBondContact O-CB 3.49Å; L186-A190 PolarHBondContact O-N 3.32Å; L186-Y214 HydrophobicContact CD1-CD1 4.48Å; L186-Y214 HydrophobicContact CD2-CD1 3.76Å; L186-Y214 HydrophobicContact CD2-CE1 4.36Å; L186-Y214 HydrophobicContact CD2-CG 4.34Å; L186-Y214 HydrophobicContact CG-CD1 4.08Å; L186-Y214 HydrophobicContact CG-CE1 4.19Å; L186-V218 HydrophobicContact CD2-CG1 4.45Å
187T90.4Very high89.1Confident33 Ų3352 Ų5220%0.20229%0.287CS..Hα-helixtrans-64.4-43.3174.7-66.50000111I97 L183 A189 A190 C191I97-T187 HydrophobicContact CD1-CG2 4.13Å; L183-T187 WeakPolarHBondContact O-CB 3.47Å; L183-T187 PolarHBondContact O-N 3.43Å; L183-T187 PolarHBondContact O-OG1 3.29Å; T187-A189 VanDerWaalsContact C-N 3.3Å; T187-A189 PolarHBondContact O-N 2.9Å; T187-A190 PolarHBondContact O-N 3.3Å; T187-C191 PolarHBondContact O-N 2.83Å; T187-C191 PolarHBondContact O-SG 2.87Å; T187-C191 VanDerWaalsContact O-SG 3.39Å
188T91.4Very high89.5Confident1 Ų150 Ų501%0.00628%0.28CS..Hα-helixtrans-62-39.6175.9-52.50000111.4A106 L109 L184 V185 C191 A192 L195 L203A106-T188 HydrophobicContact CB-CG2 4.12Å; L109-T188 HydrophobicContact CD2-CG2 4.19Å; L184-T188 VanDerWaalsContact O-CB 3.32Å; L184-T188 WeakPolarHBondContact O-CB 3.03Å; L184-T188 PolarHBondContact O-N 3.34Å; L184-T188 PolarHBondContact O-OG1 3.27Å; V185-T188 PolarHBondContact O-N 3.22Å; T188-C191 PolarHBondContact O-N 3.41Å; T188-A192 PolarHBondContact O-N 2.83Å; T188-L195 HydrophobicContact CG2-CD1 4.44Å; T188-L203 HydrophobicContact CG2-CD1 3.86Å; T188-L203 HydrophobicContact CG2-CD2 4.25Å
189A90.6Very high89.7Confident10 Ų1048.7 Ų48.78%0.08327%0.271CS..Hα-helixtrans-68.5-37.8175.300000113.4V185 L186 T187 C191 A192 F207 V218 V222V185-A189 WeakPolarHBondContact O-CB 3.44Å; V185-A189 PolarHBondContact O-N 2.93Å; L186-A189 PolarHBondContact O-N 2.78Å; T187-A189 VanDerWaalsContact C-N 3.3Å; T187-A189 PolarHBondContact O-N 2.9Å; A189-C191 VanDerWaalsContact C-N 3.27Å; A189-C191 PolarHBondContact O-N 3.4Å; A189-A192 WeakPolarHBondContact O-CB 3.46Å; A189-A192 PolarHBondContact O-N 2.74Å; A189-F207 HydrophobicContact CB-CD2 4.44Å; A189-F207 HydrophobicContact CB-CE2 3.82Å; A189-V218 HydrophobicContact CB-CG1 3.72Å; A189-V222 HydrophobicContact CB-CG2 4.09Å
190A89.4Confident89.8Confident79 Ų7941.1 Ų41.165%0.65324%0.236SC*.Hα-helixtrans-64.8-32.2176.400000112.3L186 T187 A192L186-A190 WeakPolarHBondContact O-CB 3.49Å; L186-A190 PolarHBondContact O-N 3.32Å; T187-A190 PolarHBondContact O-N 3.3Å; A190-A192 VanDerWaalsContact C-N 3.35Å
191C89.3Confident89.8Confident39 Ų3936.6 Ų36.626%0.26422%0.217SC..THydrogen-bonded Turntrans-89.710.1177.4-61.30000114.2T187 T188 A189 N193 S194T187-C191 PolarHBondContact O-N 2.83Å; T187-C191 PolarHBondContact O-SG 2.87Å; T187-C191 VanDerWaalsContact O-SG 3.39Å; T188-C191 PolarHBondContact O-N 3.41Å; A189-C191 VanDerWaalsContact C-N 3.27Å; A189-C191 PolarHBondContact O-N 3.4Å; C191-N193 PolarHBondContact O-N 2.9Å; C191-N193 VanDerWaalsContact O-N 3.1Å; C191-N193 PolarHBondContact O-OD1 3.34Å; C191-S194 PolarHBondContact O-N 2.86Å
192A90.1Very high89.7Confident1 Ų140.6 Ų40.61%0.00823%0.232CC..G310 helixtrans-58.2-27.6-172.700000114.4T188 A189 A190 S194 L200 L203 V222T188-A192 PolarHBondContact O-N 2.83Å; A189-A192 WeakPolarHBondContact O-CB 3.46Å; A189-A192 PolarHBondContact O-N 2.74Å; A190-A192 VanDerWaalsContact C-N 3.35Å; A192-S194 PolarHBondContact O-N 2.9Å; A192-L200 HydrophobicContact CB-CD1 3.88Å; A192-L203 HydrophobicContact CB-CD2 4.07Å; A192-V222 HydrophobicContact CB-CG2 4.26Å
193N89.9Confident89.7Confident108 Ų10838.9 Ų38.958%0.57822%0.223SC*.G310 helixtrans-68.6-19.417664.6-29.2000114.2C191C191-N193 PolarHBondContact O-N 2.9Å; C191-N193 VanDerWaalsContact O-N 3.1Å; C191-N193 PolarHBondContact O-OD1 3.34Å
194S90.9Very high89.6Confident76 Ų7635 Ų3553%0.53120%0.203SC..G310 helixtrans-109.110.1-177.8-57.40000112.8S102 C191 A192S102-S194 PolarHBondContact OG-O 3.3Å; C191-S194 PolarHBondContact O-N 2.86Å; A192-S194 PolarHBondContact O-N 2.9Å
195L91.2Very high89.4Confident19 Ų1935 Ų3510%0.09920%0.204CC..SBendtrans-85151.9176.1-69.4177.7000111.3S102 A106 T188 L200 L203S102-L195 VanDerWaalsContact O-CD2 3.28Å; S102-L195 WeakPolarHBondContact O-CD2 3.34Å; A106-L195 HydrophobicContact CB-CD2 3.79Å; T188-L195 HydrophobicContact CG2-CD1 4.44Å; L195-L200 HydrophobicContact CB-CB 4.21Å; L195-L203 HydrophobicContact CD1-CB 4.4Å; L195-L203 HydrophobicContact CD1-CD2 3.72Å
196S90.7Very high89.1Confident39 Ų3935.4 Ų35.427%0.27321%0.205SC..  trans-58.3156.6163.465.60000110.9E103 E198 S199 L200E103-S196 PolarHBondContact OE1-OG 3.34Å; E103-S196 PolarHBondContact OE2-N 2.86Å; E103-S196 PolarHBondContact OE2-OG 3.33Å; S196-E198 PolarHBondContact O-N 2.81Å; S196-S199 PolarHBondContact O-N 3Å; S196-S199 VanDerWaalsContact OG-CB 3.24Å; S196-S199 WeakPolarHBondContact OG-CB 3.37Å; S196-S199 PolarHBondContact OG-N 2.96Å; S196-S199 PolarHBondContact OG-OG 3.49Å; S196-S199 VanDerWaalsContact OG-OG 3.13Å; S196-L200 VanDerWaalsContact O-CB 3.32Å; S196-L200 WeakPolarHBondContact O-CB 3.47Å; S196-L200 PolarHBondContact O-N 3.35Å
197I88.9Confident88.9Confident50 Ų5032 Ų3226%0.25619%0.187SC..Hα-helixtrans-57.5-42.3178.9-71.5171.1000110.2L200 L201 L233I197-L200 PolarHBondContact O-N 3.39Å; I197-L201 HydrophobicContact CG2-CD1 3.94Å; I197-L201 HydrophobicContact CG2-CG 4.46Å; I197-L201 WeakPolarHBondContact O-CB 3.39Å; I197-L201 VanDerWaalsContact O-CG 3.28Å; I197-L201 WeakPolarHBondContact O-CG 3.34Å; I197-L201 PolarHBondContact O-N 2.98Å; I197-L233 HydrophobicContact CD1-CD2 4.26Å; I197-L233 HydrophobicContact CG1-CD2 4.46Å; I197-L233 HydrophobicContact CG2-CD2 3.37Å
198E87.2Confident88.5Confident87 Ų8731.2 Ų31.241%0.40718%0.184SC..Hα-helixtrans-61.5-49.2178.7-64.876.9-171.900111.1S196 L201 R202 H237S196-E198 PolarHBondContact O-N 2.81Å; E198-L201 PolarHBondContact O-N 3.06Å; E198-R202 WeakPolarHBondContact O-CG 3.46Å; E198-R202 PolarHBondContact O-N 3.29Å; E198-H237 IonicContact OE1-CE1 3.17Å; E198-H237 IonicContact OE1-NE2 2.78Å
199S89.2Confident87.8Confident4 Ų433.5 Ų33.53%0.02820%0.196CC..Hα-helixtrans-67.4-35.5179.1-70.60000112.3E103 S196 R202 L203E103-S199 VanDerWaalsContact CD-OG 3.32Å; E103-S199 WeakPolarHBondContact OE1-CB 3.48Å; E103-S199 PolarHBondContact OE1-OG 3.5Å; S196-S199 PolarHBondContact O-N 3Å; S196-S199 VanDerWaalsContact OG-CB 3.24Å; S196-S199 WeakPolarHBondContact OG-CB 3.37Å; S196-S199 PolarHBondContact OG-N 2.96Å; S196-S199 PolarHBondContact OG-OG 3.49Å; S196-S199 VanDerWaalsContact OG-OG 3.13Å; S199-R202 PolarHBondContact O-N 3.04Å; S199-L203 VanDerWaalsContact O-CB 3.29Å; S199-L203 WeakPolarHBondContact O-CB 3.44Å; S199-L203 PolarHBondContact O-N 2.93Å
200L90.5Very high87.1Confident12 Ų1233.4 Ų33.46%0.06319%0.194CC..Hα-helixtrans-65.6-41.7174.8-178.360.9000112.1A192 L195 S196 I197 L203 A204 V222 H225 I226A192-L200 HydrophobicContact CB-CD1 3.88Å; L195-L200 HydrophobicContact CB-CB 4.21Å; S196-L200 VanDerWaalsContact O-CB 3.32Å; S196-L200 WeakPolarHBondContact O-CB 3.47Å; S196-L200 PolarHBondContact O-N 3.35Å; I197-L200 PolarHBondContact O-N 3.39Å; L200-L203 PolarHBondContact O-N 2.82Å; L200-A204 PolarHBondContact O-N 2.89Å; L200-V222 HydrophobicContact CD1-CG1 4.05Å; L200-H225 HydrophobicContact CD2-CB 4.22Å; L200-I226 HydrophobicContact CD1-CG1 4.23Å; L200-I226 HydrophobicContact CD2-CG1 3.59Å; L200-I226 HydrophobicContact CG-CD1 4.16Å; L200-I226 HydrophobicContact CG-CG1 3.57Å
201L89.2Confident86.5Confident12 Ų1230.7 Ų30.76%0.06317%0.167CC..Hα-helixtrans-67.1-41.8176-71.7171000111.9I197 E198 A204 G205 I226 H237 L241I197-L201 HydrophobicContact CG2-CD1 3.94Å; I197-L201 HydrophobicContact CG2-CG 4.46Å; I197-L201 WeakPolarHBondContact O-CB 3.39Å; I197-L201 VanDerWaalsContact O-CG 3.28Å; I197-L201 WeakPolarHBondContact O-CG 3.34Å; I197-L201 PolarHBondContact O-N 2.98Å; E198-L201 PolarHBondContact O-N 3.06Å; L201-A204 PolarHBondContact O-N 3.14Å; L201-G205 PolarHBondContact O-N 3.08Å; L201-I226 HydrophobicContact CD2-CD1 4.25Å; L201-I226 HydrophobicContact CD2-CG2 4.26Å; L201-H237 HydrophobicContact CD1-CB 3.64Å; L201-L241 HydrophobicContact CD2-CB 4Å; L201-L241 HydrophobicContact CD2-CD1 4.27Å
202R86.9Confident85.8Confident84 Ų8434.1 Ų34.132%0.31718%0.177SC..Hα-helixtrans-61-46.3173.2-71.9-177.3-159.3150.312.3111.1E110 E198 S199 A204 G205 Y206E110-R202 WeakPolarHBondContact OE1-CD 3.31Å; E110-R202 IonicContact OE1-CZ 2.78Å; E110-R202 IonicContact OE1-NE 2.88Å; E110-R202 PolarHBondContact OE1-NE 2.96Å; E110-R202 IonicContact OE1-NH1 2.8Å; E110-R202 PolarHBondContact OE1-NH1 2.91Å; E110-R202 IonicContact OE2-CZ 3.63Å; E110-R202 IonicContact OE2-NH1 3.73Å; E110-R202 PolarHBondContact OE2-NH1 2.77Å; E198-R202 WeakPolarHBondContact O-CG 3.46Å; E198-R202 PolarHBondContact O-N 3.29Å; S199-R202 PolarHBondContact O-N 3.04Å; R202-A204 VanDerWaalsContact C-N 3.31Å; R202-A204 PolarHBondContact O-N 2.68Å; R202-G205 WeakPolarHBondContact O-CA 3.47Å; R202-G205 PolarHBondContact O-N 2.77Å; R202-G205 VanDerWaalsContact O-N 3.1Å; R202-Y206 HydrophobicContact CB-CD2 4.31Å; R202-Y206 HydrophobicContact CB-CE2 3.88Å; R202-Y206 WeakPolarHBondContact O-CD2 3.35Å; R202-Y206 PolarHBondContact O-N 2.82Å
203L88.8Confident85.2Confident4 Ų438.9 Ų38.92%0.02120%0.195CC..Hα-helixtrans-55.4-47.1175.1176.864000111L109 T188 A192 L195 S199 L200 G205 Y206 F207 V222L109-L203 HydrophobicContact CD2-CD1 3.95Å; T188-L203 HydrophobicContact CG2-CD1 3.86Å; T188-L203 HydrophobicContact CG2-CD2 4.25Å; A192-L203 HydrophobicContact CB-CD2 4.07Å; L195-L203 HydrophobicContact CD1-CB 4.4Å; L195-L203 HydrophobicContact CD1-CD2 3.72Å; S199-L203 VanDerWaalsContact O-CB 3.29Å; S199-L203 WeakPolarHBondContact O-CB 3.44Å; S199-L203 PolarHBondContact O-N 2.93Å; L200-L203 PolarHBondContact O-N 2.82Å; L203-G205 VanDerWaalsContact C-N 3.33Å; L203-G205 PolarHBondContact O-N 3.35Å; L203-Y206 PolarHBondContact O-N 3.25Å; L203-F207 HydrophobicContact CD1-CD2 4.33Å; L203-F207 VanDerWaalsContact O-CB 3.27Å; L203-F207 WeakPolarHBondContact O-CB 3.37Å; L203-F207 PolarHBondContact O-N 2.93Å; L203-V222 HydrophobicContact CD2-CG1 4.07Å; L203-V222 HydrophobicContact CD2-CG2 4.22Å; L203-V222 HydrophobicContact CG-CG1 4.23Å
204A89.1Confident84.6Confident1 Ų134.5 Ų34.51%0.00817%0.171CC..Hα-helixtrans-60.1-42.1176.600000112.5L200 L201 R202 A208 Y219 V222 L223 I226L200-A204 PolarHBondContact O-N 2.89Å; L201-A204 PolarHBondContact O-N 3.14Å; R202-A204 VanDerWaalsContact C-N 3.31Å; R202-A204 PolarHBondContact O-N 2.68Å; A204-A208 WeakPolarHBondContact O-CB 3.48Å; A204-A208 PolarHBondContact O-N 3.19Å; A204-Y219 HydrophobicContact CB-CE2 4.47Å; A204-Y219 PolarHBondContact O-OH 3.13Å; A204-Y219 VanDerWaalsContact O-OH 3.1Å; A204-V222 HydrophobicContact CB-CG1 4.31Å; A204-L223 HydrophobicContact CB-CD2 4.29Å; A204-I226 HydrophobicContact CB-CD1 3.49Å; A204-I226 VanDerWaalsContact CB-CD1 3.49Å
205G86.1Confident83.9Confident3 Ų337 Ų373%0.03117%0.174CC..Hα-helixtrans-58.6-50.6173.500000112.7G160 L201 R202 L203 A208 N209G160-G205 CarbonylContact O-C 3.57Å; G160-G205 VanDerWaalsContact O-O 3.06Å; L201-G205 PolarHBondContact O-N 3.08Å; R202-G205 WeakPolarHBondContact O-CA 3.47Å; R202-G205 PolarHBondContact O-N 2.77Å; R202-G205 VanDerWaalsContact O-N 3.1Å; L203-G205 VanDerWaalsContact C-N 3.33Å; L203-G205 PolarHBondContact O-N 3.35Å; G205-A208 VanDerWaalsContact O-CB 3.31Å; G205-A208 WeakPolarHBondContact O-CB 3.21Å; G205-A208 PolarHBondContact O-N 3.43Å; G205-N209 PolarHBondContact O-ND2 3.36Å
206Y82.6Confident83.5Confident9 Ų937.6 Ų37.64%0.03518%0.179CC..Hα-helixtrans-61-49.4177.7-65.4-50.9000111.6E110 L113 G160 L163 R202 L203 A208 N209 F210E110-Y206 HydrophobicContact CB-CE2 4.09Å; E110-Y206 HydrophobicContact CG-CE2 4.48Å; E110-Y206 WeakPolarHBondContact CG-OH 3.48Å; L113-Y206 HydrophobicContact CB-CD1 4.27Å; L113-Y206 HydrophobicContact CB-CE1 3.87Å; L113-Y206 HydrophobicContact CD1-CD1 3.19Å; L113-Y206 HydrophobicContact CD1-CD2 3.98Å; L113-Y206 HydrophobicContact CD1-CE1 3.61Å; L113-Y206 HydrophobicContact CD1-CE2 4.39Å; L113-Y206 HydrophobicContact CD1-CG 3.4Å; L113-Y206 VanDerWaalsContact CD1-CG 3.4Å; L113-Y206 HydrophobicContact CG-CD1 4.34Å; L113-Y206 HydrophobicContact CG-CE1 4.39Å; G160-Y206 VanDerWaalsContact CA-CD1 3.46Å; G160-Y206 PolarHBondContact O-N 2.92Å; L163-Y206 HydrophobicContact CD1-CD1 4.4Å; R202-Y206 HydrophobicContact CB-CD2 4.31Å; R202-Y206 HydrophobicContact CB-CE2 3.88Å; R202-Y206 WeakPolarHBondContact O-CD2 3.35Å; R202-Y206 PolarHBondContact O-N 2.82Å; L203-Y206 PolarHBondContact O-N 3.25Å; Y206-A208 PolarHBondContact O-N 3.44Å; Y206-N209 WeakPolarHBondContact O-CB 3.45Å; Y206-N209 PolarHBondContact O-N 2.8Å; Y206-F210 WeakPolarHBondContact O-CD2 3.22Å; Y206-F210 WeakPolarHBondContact O-CE2 3.09Å
207F85.1Confident83.3Confident1 Ų139 Ų390%0.00418%0.184CC..Hα-helixtrans-63.4-28.4-177.9-142-79.3000112.3V185 A189 L203 N209 F210 W211 Y214 V218 Y219V185-F207 HydrophobicContact CG1-CD2 3.94Å; V185-F207 HydrophobicContact CG1-CE2 3.5Å; V185-F207 VanDerWaalsContact CG1-CE2 3.5Å; V185-F207 HydrophobicContact CG1-CZ 4.35Å; A189-F207 HydrophobicContact CB-CD2 4.44Å; A189-F207 HydrophobicContact CB-CE2 3.82Å; L203-F207 HydrophobicContact CD1-CD2 4.33Å; L203-F207 VanDerWaalsContact O-CB 3.27Å; L203-F207 WeakPolarHBondContact O-CB 3.37Å; L203-F207 PolarHBondContact O-N 2.93Å; F207-N209 PolarHBondContact O-N 2.74Å; F207-F210 PolarHBondContact O-N 2.91Å; F207-F210 VanDerWaalsContact O-N 3.13Å; F207-W211 HydrophobicContact CD1-CB 4.11Å; F207-W211 HydrophobicContact CE1-CB 4.39Å; F207-W211 WeakPolarHBondContact O-CB 3.44Å; F207-W211 PolarHBondContact O-N 3.37Å; F207-Y214 HydrophobicContact CE1-CD2 4.21Å; F207-Y214 HydrophobicContact CE1-CG 4.48Å; F207-Y214 HydrophobicContact CE2-CD2 4.34Å; F207-Y214 AromaticContact CZ-CD2 3.85Å; F207-Y214 HydrophobicContact CZ-CD2 3.85Å; F207-Y214 AromaticContact CZ-CG 3.98Å; F207-Y214 HydrophobicContact CZ-CG 3.98Å; F207-V218 HydrophobicContact CE1-CG1 4.32Å; F207-V218 HydrophobicContact CE2-CG1 4.13Å; F207-V218 HydrophobicContact CZ-CB 4.13Å; F207-V218 HydrophobicContact CZ-CG1 3.57Å; F207-Y219 HydrophobicContact CB-CD2 3.75Å; F207-Y219 HydrophobicContact CB-CE2 3.83Å; F207-Y219 HydrophobicContact CD1-CD1 4.45Å; F207-Y219 AromaticContact CD1-CD2 3.5Å; F207-Y219 HydrophobicContact CD1-CD2 3.5Å; F207-Y219 HydrophobicContact CD1-CE2 4.36Å; F207-Y219 AromaticContact CD1-CG 3.58Å; F207-Y219 HydrophobicContact CD1-CG 3.58Å; F207-Y219 HydrophobicContact CE1-CD2 4.42Å; F207-Y219 HydrophobicContact CE1-CG 4.23Å; F207-Y219 AromaticContact CG-CD2 3.88Å; F207-Y219 HydrophobicContact CG-CD2 3.88Å; F207-Y219 HydrophobicContact CG-CE2 4.46Å; F207-Y219 HydrophobicContact CG-CG 4.41Å
208A80.9Confident83.2Confident17 Ų1738.7 Ų38.714%0.1418%0.184CC..Hα-helixtrans-57.8-19.8172.700000113.9A204 G205 Y206 W211 Y219 V244 L248A204-A208 WeakPolarHBondContact O-CB 3.48Å; A204-A208 PolarHBondContact O-N 3.19Å; G205-A208 VanDerWaalsContact O-CB 3.31Å; G205-A208 WeakPolarHBondContact O-CB 3.21Å; G205-A208 PolarHBondContact O-N 3.43Å; Y206-A208 PolarHBondContact O-N 3.44Å; A208-W211 VanDerWaalsContact O-CD1 3.23Å; A208-Y219 HydrophobicContact CB-CE1 4.47Å; A208-Y219 WeakPolarHBondContact CB-OH 3.15Å; A208-V244 HydrophobicContact CB-CG1 3.87Å; A208-L248 HydrophobicContact CB-CD2 3.98Å; A208-L248 HydrophobicContact CB-CG 4.38Å
209N77.4Confident83.3Confident49 Ų4934.5 Ų34.526%0.26216%0.164SC..Hα-helixtrans-94.5-24.2179-63-74.1000113.1G160 L163 G205 Y206 F207G160-N209 PolarHBondContact O-ND2 2.96Å; L163-N209 HydrophobicContact CD1-CB 3.42Å; L163-N209 VanDerWaalsContact CD1-CB 3.42Å; L163-N209 WeakPolarHBondContact CD1-ND2 3.47Å; G205-N209 PolarHBondContact O-ND2 3.36Å; Y206-N209 WeakPolarHBondContact O-CB 3.45Å; Y206-N209 PolarHBondContact O-N 2.8Å; F207-N209 PolarHBondContact O-N 2.74Å
210F76.5Confident83.3Confident8 Ų834.5 Ų34.54%0.03516%0.164CC..Hα-helixtrans-113.9-0.8-176.9-30-65.1000114.1L113 L163 F164 M176 F181 Y206 F207 K212 R213 Y214L113-F210 HydrophobicContact CD1-CE2 4.02Å; L113-F210 HydrophobicContact CD1-CZ 3.92Å; L113-F210 HydrophobicContact CD2-CZ 3.82Å; L163-F210 HydrophobicContact CD1-CE1 3.5Å; L163-F210 HydrophobicContact CD1-CE2 4.07Å; L163-F210 HydrophobicContact CD1-CZ 3.21Å; L163-F210 HydrophobicContact CD2-CE1 4.41Å; L163-F210 HydrophobicContact CD2-CZ 4.01Å; L163-F210 HydrophobicContact CG-CE1 4.5Å; L163-F210 HydrophobicContact CG-CZ 4.25Å; F164-F210 HydrophobicContact CE2-CE1 4.12Å; F164-F210 HydrophobicContact CZ-CE1 4.27Å; M176-F210 HydrophobicContact CE-CD1 3.96Å; M176-F210 HydrophobicContact CE-CE1 3.77Å; F181-F210 HydrophobicContact CZ-CE2 4.46Å; F181-F210 HydrophobicContact CZ-CZ 4.39Å; Y206-F210 WeakPolarHBondContact O-CD2 3.22Å; Y206-F210 WeakPolarHBondContact O-CE2 3.09Å; F207-F210 PolarHBondContact O-N 2.91Å; F207-F210 VanDerWaalsContact O-N 3.13Å; F210-K212 PolarHBondContact O-N 3.39Å; F210-R213 WeakPolarHBondContact O-CB 3.34Å; F210-R213 PolarHBondContact O-N 3.16Å; F210-Y214 HydrophobicContact CB-CD2 3.98Å; F210-Y214 HydrophobicContact CB-CE2 3.68Å; F210-Y214 WeakPolarHBondContact O-CD2 3.5Å
211W75.8Confident83.3Confident22 Ų2235.8 Ų35.88%0.08317%0.174CC..THydrogen-bonded Turntrans-55.5-22.5-171.872.3-93.1000114.3F207 A208 P216 Y219 F256 L260F207-W211 HydrophobicContact CD1-CB 4.11Å; F207-W211 HydrophobicContact CE1-CB 4.39Å; F207-W211 WeakPolarHBondContact O-CB 3.44Å; F207-W211 PolarHBondContact O-N 3.37Å; A208-W211 VanDerWaalsContact O-CD1 3.23Å; W211-P216 HydrophobicContact CE3-CB 4.3Å; W211-P216 HydrophobicContact CE3-CG 3.96Å; W211-P216 HydrophobicContact CZ3-CB 4.46Å; W211-P216 HydrophobicContact CZ3-CG 3.96Å; W211-Y219 HydrophobicContact CB-CD1 3.68Å; W211-Y219 HydrophobicContact CB-CE1 4.4Å; W211-Y219 HydrophobicContact CB-CG 4.12Å; W211-Y219 HydrophobicContact CG-CD1 4.16Å; W211-F256 AromaticContact CE2-CE1 3.8Å; W211-F256 AromaticContact CH2-CD1 3.76Å; W211-F256 HydrophobicContact CH2-CD1 3.76Å; W211-F256 AromaticContact CH2-CE1 3.84Å; W211-F256 HydrophobicContact CH2-CE1 3.84Å; W211-F256 AromaticContact CZ2-CD1 3.82Å; W211-F256 HydrophobicContact CZ2-CD1 3.82Å; W211-F256 AromaticContact CZ2-CE1 3.37Å; W211-F256 HydrophobicContact CZ2-CE1 3.37Å; W211-F256 HydrophobicContact CZ2-CZ 4.25Å; W211-F256 HydrophobicContact CZ3-CD1 4.34Å; W211-L260 HydrophobicContact CD2-CD2 4.19Å; W211-L260 HydrophobicContact CE3-CD2 3.94Å; W211-L260 HydrophobicContact CZ3-CD2 4.34Å
212K74.3Confident83.5Confident111 Ų11135.2 Ų35.248%0.48317%0.171SC..THydrogen-bonded Turntrans-71-31175.5-70-177.2178.6176.40113.2F210 Y214 Y254F210-K212 PolarHBondContact O-N 3.39Å; K212-Y214 VanDerWaalsContact C-N 3.34Å; K212-Y254 VanDerWaalsContact NZ-CD1 3.26Å; K212-Y254 VanDerWaalsContact NZ-CG 3.26Å
213R77.5Confident83.7Confident101 Ų10131.2 Ų31.238%0.38116%0.156SC..THydrogen-bonded Turntrans-74-31.4178.1-178.9178.7176.7168.2-2.5111.2M176 D182 F210M176-R213 PolarHBondContact O-NH1 3.27Å; M176-R213 PolarHBondContact O-NH2 3.23Å; D182-R213 IonicContact OD1-CZ 3.81Å; D182-R213 IonicContact OD1-NE 2.79Å; D182-R213 PolarHBondContact OD1-NE 3.24Å; D182-R213 IonicContact OD1-NH1 3.73Å; D182-R213 IonicContact OD1-NH2 2.89Å; D182-R213 PolarHBondContact OD1-NH2 3.46Å; D182-R213 IonicContact OD2-CZ 3.73Å; D182-R213 IonicContact OD2-NE 3.76Å; D182-R213 IonicContact OD2-NH2 3.2Å; D182-R213 PolarHBondContact OD2-NH2 3.46Å; F210-R213 WeakPolarHBondContact O-CB 3.34Å; F210-R213 PolarHBondContact O-N 3.16Å
214Y78.4Confident83.9Confident15 Ų1536.1 Ų36.16%0.05918%0.175CC..SBendtrans-101.8163.1179.9-56.1-66.5000110.9D182 V185 L186 F207 F210 K212 P216D182-Y214 HydrophobicContact CB-CE1 4.29Å; D182-Y214 WeakPolarHBondContact OD1-CE1 3.39Å; D182-Y214 VanDerWaalsContact OD1-CZ 3.29Å; D182-Y214 PolarHBondContact OD1-OH 2.87Å; V185-Y214 HydrophobicContact CB-CE2 4.17Å; V185-Y214 HydrophobicContact CG1-CD2 4.04Å; V185-Y214 HydrophobicContact CG1-CE1 4.43Å; V185-Y214 HydrophobicContact CG1-CE2 3.52Å; V185-Y214 HydrophobicContact CG2-CE2 4.48Å; L186-Y214 HydrophobicContact CD1-CD1 4.48Å; L186-Y214 HydrophobicContact CD2-CD1 3.76Å; L186-Y214 HydrophobicContact CD2-CE1 4.36Å; L186-Y214 HydrophobicContact CD2-CG 4.34Å; L186-Y214 HydrophobicContact CG-CD1 4.08Å; L186-Y214 HydrophobicContact CG-CE1 4.19Å; F207-Y214 HydrophobicContact CE1-CD2 4.21Å; F207-Y214 HydrophobicContact CE1-CG 4.48Å; F207-Y214 HydrophobicContact CE2-CD2 4.34Å; F207-Y214 AromaticContact CZ-CD2 3.85Å; F207-Y214 HydrophobicContact CZ-CD2 3.85Å; F207-Y214 AromaticContact CZ-CG 3.98Å; F207-Y214 HydrophobicContact CZ-CG 3.98Å; F210-Y214 HydrophobicContact CB-CD2 3.98Å; F210-Y214 HydrophobicContact CB-CE2 3.68Å; F210-Y214 WeakPolarHBondContact O-CD2 3.5Å; K212-Y214 VanDerWaalsContact C-N 3.34Å; Y214-P216 WeakPolarHBondContact O-CD 3.34Å
215E76.7Confident84Confident128 Ų12838.9 Ų38.960%0.59819%0.187SC*.  trans-59.6130.1174.1-75.3-166.9-17100110.6N217 V218E215-N217 PolarHBondContact O-N 3.17Å; E215-N217 PolarHBondContact OE2-ND2 3.3Å; E215-V218 HydrophobicContact CB-CG2 4.16Å; E215-V218 WeakPolarHBondContact O-CB 3.23Å; E215-V218 PolarHBondContact O-N 3.37Å
216P82.2Confident84.3Confident32 Ų3238.8 Ų38.821%0.20819%0.186CC..Hα-helixtrans-59.4-19.3179-30.941.4000113.9W211 Y214 Y219 A220 P257 L260W211-P216 HydrophobicContact CE3-CB 4.3Å; W211-P216 HydrophobicContact CE3-CG 3.96Å; W211-P216 HydrophobicContact CZ3-CB 4.46Å; W211-P216 HydrophobicContact CZ3-CG 3.96Å; Y214-P216 WeakPolarHBondContact O-CD 3.34Å; P216-Y219 PolarHBondContact O-N 2.94Å; P216-A220 WeakPolarHBondContact O-CB 3.49Å; P216-A220 PolarHBondContact O-N 3.02Å; P216-P257 HydrophobicContact CB-CB 4.33Å; P216-P257 HydrophobicContact CB-CG 3.7Å; P216-P257 HydrophobicContact CG-CG 3.72Å; P216-L260 HydrophobicContact CB-CB 4.47Å; P216-L260 HydrophobicContact CB-CD2 4.19Å
217N85.8Confident84.6Confident70 Ų7040 Ų4037%0.37419%0.193SC..Hα-helixtrans-64.9-35.8172.3-65.7-37.1000113E215 A220 S221 K259E215-N217 PolarHBondContact O-N 3.17Å; E215-N217 PolarHBondContact OE2-ND2 3.3Å; N217-A220 PolarHBondContact O-N 2.72Å; N217-S221 PolarHBondContact O-N 3.28Å; N217-K259 WeakPolarHBondContact OD1-CD 3.46Å
218V87.3Confident84.7Confident42 Ų4245.5 Ų45.526%0.25522%0.222SC..Hα-helixtrans-63.8-47.7177.5178.30000108.9L186 A189 F207 E215 A220 S221 V222L186-V218 HydrophobicContact CD2-CG1 4.45Å; A189-V218 HydrophobicContact CB-CG1 3.72Å; F207-V218 HydrophobicContact CE1-CG1 4.32Å; F207-V218 HydrophobicContact CE2-CG1 4.13Å; F207-V218 HydrophobicContact CZ-CB 4.13Å; F207-V218 HydrophobicContact CZ-CG1 3.57Å; E215-V218 HydrophobicContact CB-CG2 4.16Å; E215-V218 WeakPolarHBondContact O-CB 3.23Å; E215-V218 PolarHBondContact O-N 3.37Å; V218-A220 PolarHBondContact O-N 3.25Å; V218-S221 WeakPolarHBondContact O-CB 3.36Å; V218-S221 PolarHBondContact O-N 3.09Å; V218-S221 VanDerWaalsContact O-N 3.1Å; V218-V222 PolarHBondContact O-N 2.93Å; V218-V222 VanDerWaalsContact O-N 3.16Å
219Y90.1Very high85.2Confident0 Ų048.5 Ų48.50%023%0.234CC..Hα-helixtrans-65.3-41.9178.8-169.2-149.9000112.5A204 F207 A208 W211 P216 S221 V222 L223 L248 L260A204-Y219 HydrophobicContact CB-CE2 4.47Å; A204-Y219 PolarHBondContact O-OH 3.13Å; A204-Y219 VanDerWaalsContact O-OH 3.1Å; F207-Y219 HydrophobicContact CB-CD2 3.75Å; F207-Y219 HydrophobicContact CB-CE2 3.83Å; F207-Y219 HydrophobicContact CD1-CD1 4.45Å; F207-Y219 AromaticContact CD1-CD2 3.5Å; F207-Y219 HydrophobicContact CD1-CD2 3.5Å; F207-Y219 HydrophobicContact CD1-CE2 4.36Å; F207-Y219 AromaticContact CD1-CG 3.58Å; F207-Y219 HydrophobicContact CD1-CG 3.58Å; F207-Y219 HydrophobicContact CE1-CD2 4.42Å; F207-Y219 HydrophobicContact CE1-CG 4.23Å; F207-Y219 AromaticContact CG-CD2 3.88Å; F207-Y219 HydrophobicContact CG-CD2 3.88Å; F207-Y219 HydrophobicContact CG-CE2 4.46Å; F207-Y219 HydrophobicContact CG-CG 4.41Å; A208-Y219 HydrophobicContact CB-CE1 4.47Å; A208-Y219 WeakPolarHBondContact CB-OH 3.15Å; W211-Y219 HydrophobicContact CB-CD1 3.68Å; W211-Y219 HydrophobicContact CB-CE1 4.4Å; W211-Y219 HydrophobicContact CB-CG 4.12Å; W211-Y219 HydrophobicContact CG-CD1 4.16Å; P216-Y219 PolarHBondContact O-N 2.94Å; Y219-S221 PolarHBondContact O-N 3.23Å; Y219-V222 HydrophobicContact CD2-CB 4.38Å; Y219-V222 PolarHBondContact O-N 2.67Å; Y219-V222 VanDerWaalsContact O-N 3.14Å; Y219-L223 HydrophobicContact CD1-CD1 4.46Å; Y219-L223 HydrophobicContact CD2-CG 4.2Å; Y219-L223 HydrophobicContact CE1-CD1 4.16Å; Y219-L223 HydrophobicContact CE2-CD1 4.35Å; Y219-L223 HydrophobicContact CE2-CD2 3.82Å; Y219-L223 HydrophobicContact CE2-CG 3.88Å; Y219-L223 WeakPolarHBondContact O-CG 3.23Å; Y219-L223 PolarHBondContact O-N 2.97Å; Y219-L248 HydrophobicContact CE1-CD1 3.64Å; Y219-L248 HydrophobicContact CE1-CD2 3.94Å; Y219-L248 HydrophobicContact CE1-CG 4.43Å; Y219-L248 WeakPolarHBondContact OH-CD1 3.42Å; Y219-L260 HydrophobicContact CD1-CD1 3.64Å; Y219-L260 HydrophobicContact CD1-CD2 4.01Å; Y219-L260 HydrophobicContact CD1-CG 4.5Å; Y219-L260 HydrophobicContact CE1-CD1 4.24Å; Y219-L260 HydrophobicContact CG-CD1 4.23Å
220A89.2Confident85.7Confident3 Ų346.2 Ų46.23%0.02522%0.221CC..Hα-helixtrans-56.4-35.5173.500000112.1P216 N217 V218 R224 L260 E263P216-A220 WeakPolarHBondContact O-CB 3.49Å; P216-A220 PolarHBondContact O-N 3.02Å; N217-A220 PolarHBondContact O-N 2.72Å; V218-A220 PolarHBondContact O-N 3.25Å; A220-R224 WeakPolarHBondContact O-CB 3.42Å; A220-R224 PolarHBondContact O-N 3.4Å; A220-L260 HydrophobicContact CB-CD1 4.37Å; A220-E263 HydrophobicContact CB-CG 4.02Å
221S90.1Very high86.2Confident39 Ų3951.2 Ų51.227%0.27325%0.248SC..Hα-helixtrans-67.2-44.7175.1-156.20000112.7N217 V218 Y219 L223 R224 H225N217-S221 PolarHBondContact O-N 3.28Å; V218-S221 WeakPolarHBondContact O-CB 3.36Å; V218-S221 PolarHBondContact O-N 3.09Å; V218-S221 VanDerWaalsContact O-N 3.1Å; Y219-S221 PolarHBondContact O-N 3.23Å; S221-L223 VanDerWaalsContact C-N 3.33Å; S221-L223 PolarHBondContact O-N 3.37Å; S221-R224 WeakPolarHBondContact O-CB 3.43Å; S221-R224 PolarHBondContact O-N 3.09Å; S221-H225 PolarHBondContact O-CD2 3.12Å; S221-H225 PolarHBondContact O-N 2.91Å; S221-H225 VanDerWaalsContact O-N 3.16Å
222V91.8Very high86.8Confident1 Ų155.5 Ų55.51%0.00627%0.273CS..Hα-helixtrans-57.6-47.1175.2176.10000110.6A189 A192 L200 L203 A204 V218 Y219 R224 H225 I226A189-V222 HydrophobicContact CB-CG2 4.09Å; A192-V222 HydrophobicContact CB-CG2 4.26Å; L200-V222 HydrophobicContact CD1-CG1 4.05Å; L203-V222 HydrophobicContact CD2-CG1 4.07Å; L203-V222 HydrophobicContact CD2-CG2 4.22Å; L203-V222 HydrophobicContact CG-CG1 4.23Å; A204-V222 HydrophobicContact CB-CG1 4.31Å; V218-V222 PolarHBondContact O-N 2.93Å; V218-V222 VanDerWaalsContact O-N 3.16Å; Y219-V222 HydrophobicContact CD2-CB 4.38Å; Y219-V222 PolarHBondContact O-N 2.67Å; Y219-V222 VanDerWaalsContact O-N 3.14Å; V222-R224 VanDerWaalsContact C-N 3.32Å; V222-R224 PolarHBondContact O-N 2.77Å; V222-H225 PolarHBondContact O-N 3.45Å; V222-I226 PolarHBondContact O-N 3.33Å
223L92Very high87.6Confident0 Ų050.6 Ų50.60%025%0.252CS..Hα-helixtrans-61.6-37.8177.5-69.7-173.4000112.8A204 Y219 S221 H225 I226 N227 L260 E263 I264 L267A204-L223 HydrophobicContact CB-CD2 4.29Å; Y219-L223 HydrophobicContact CD1-CD1 4.46Å; Y219-L223 HydrophobicContact CD2-CG 4.2Å; Y219-L223 HydrophobicContact CE1-CD1 4.16Å; Y219-L223 HydrophobicContact CE2-CD1 4.35Å; Y219-L223 HydrophobicContact CE2-CD2 3.82Å; Y219-L223 HydrophobicContact CE2-CG 3.88Å; Y219-L223 WeakPolarHBondContact O-CG 3.23Å; Y219-L223 PolarHBondContact O-N 2.97Å; S221-L223 VanDerWaalsContact C-N 3.33Å; S221-L223 PolarHBondContact O-N 3.37Å; L223-H225 PolarHBondContact O-N 3.26Å; L223-I226 HydrophobicContact CD2-CD1 4.48Å; L223-I226 WeakPolarHBondContact O-CB 3.39Å; L223-I226 PolarHBondContact O-N 3.36Å; L223-N227 PolarHBondContact O-N 3.02Å; L223-L260 HydrophobicContact CD1-CD1 3.74Å; L223-E263 HydrophobicContact CB-CB 4.4Å; L223-I264 HydrophobicContact CD1-CG1 3.86Å; L223-L267 HydrophobicContact CB-CD1 3.71Å; L223-L267 HydrophobicContact CD1-CD1 4.3Å; L223-L267 HydrophobicContact CD2-CD1 3.86Å; L223-L267 HydrophobicContact CG-CD1 4.16Å
224R92Very high88.2Confident107 Ų10748.1 Ų48.140%0.40425%0.25SS..Hα-helixtrans-63.9-38.8177.3-161.5-170.7-42.8129.119.1112.5A220 S221 V222 I226 N227 N228 E263A220-R224 WeakPolarHBondContact O-CB 3.42Å; A220-R224 PolarHBondContact O-N 3.4Å; S221-R224 WeakPolarHBondContact O-CB 3.43Å; S221-R224 PolarHBondContact O-N 3.09Å; V222-R224 VanDerWaalsContact C-N 3.32Å; V222-R224 PolarHBondContact O-N 2.77Å; R224-I226 VanDerWaalsContact C-N 3.29Å; R224-I226 PolarHBondContact O-N 2.87Å; R224-N227 WeakPolarHBondContact O-CB 3.28Å; R224-N227 PolarHBondContact O-N 3.49Å; R224-N228 PolarHBondContact O-N 3.04Å; R224-E263 IonicContact NE-OE1 2.97Å; R224-E263 PolarHBondContact NE-OE1 2.72Å
225H91.9Very high88.8Confident58 Ų5847.5 Ų47.527%0.26925%0.248SC..Hα-helixtrans-62.2-38.6175.3-72.3-63.4000111.8L200 S221 V222 L223 N228L200-H225 HydrophobicContact CD2-CB 4.22Å; S221-H225 PolarHBondContact O-CD2 3.12Å; S221-H225 PolarHBondContact O-N 2.91Å; S221-H225 VanDerWaalsContact O-N 3.16Å; V222-H225 PolarHBondContact O-N 3.45Å; L223-H225 PolarHBondContact O-N 3.26Å; H225-N228 PolarHBondContact O-N 3.47Å
226I91.9Very high89.4Confident2 Ų243.9 Ų43.91%0.0123%0.234CC..Hα-helixtrans-64.5-43173.6-63.6169.3000110.8L200 L201 A204 V222 L223 R224 N228 Q229 I230 L233 L241 L267L200-I226 HydrophobicContact CD1-CG1 4.23Å; L200-I226 HydrophobicContact CD2-CG1 3.59Å; L200-I226 HydrophobicContact CG-CD1 4.16Å; L200-I226 HydrophobicContact CG-CG1 3.57Å; L201-I226 HydrophobicContact CD2-CD1 4.25Å; L201-I226 HydrophobicContact CD2-CG2 4.26Å; A204-I226 HydrophobicContact CB-CD1 3.49Å; A204-I226 VanDerWaalsContact CB-CD1 3.49Å; V222-I226 PolarHBondContact O-N 3.33Å; L223-I226 HydrophobicContact CD2-CD1 4.48Å; L223-I226 WeakPolarHBondContact O-CB 3.39Å; L223-I226 PolarHBondContact O-N 3.36Å; R224-I226 VanDerWaalsContact C-N 3.29Å; R224-I226 PolarHBondContact O-N 2.87Å; I226-N228 PolarHBondContact O-N 3.35Å; I226-Q229 PolarHBondContact O-N 3.03Å; I226-I230 PolarHBondContact O-N 3.08Å; I226-L233 HydrophobicContact CG2-CD1 4.25Å; I226-L241 HydrophobicContact CD1-CD1 4.21Å; I226-L241 HydrophobicContact CG2-CD1 3.95Å; I226-L241 HydrophobicContact CG2-CD2 3.48Å; I226-L241 VanDerWaalsContact CG2-CD2 3.48Å; I226-L241 HydrophobicContact CG2-CG 4.34Å; I226-L267 HydrophobicContact CG2-CD2 4.32Å
227N89.4Confident89.8Confident34 Ų3443.8 Ų43.818%0.18223%0.231CC..Hα-helixtrans-56.4-41.4-179.2-167.341.4000111.9L223 R224 Q229 I230 L267 T270L223-N227 PolarHBondContact O-N 3.02Å; R224-N227 WeakPolarHBondContact O-CB 3.28Å; R224-N227 PolarHBondContact O-N 3.49Å; N227-Q229 PolarHBondContact O-N 2.83Å; N227-I230 PolarHBondContact O-N 2.81Å; N227-L267 VanDerWaalsContact CA-CD2 3.43Å; N227-L267 HydrophobicContact CB-CD2 3.43Å; N227-L267 VanDerWaalsContact CB-CD2 3.43Å; N227-L267 HydrophobicContact CB-CG 4.23Å; N227-T270 PolarHBondContact OD1-OG1 2.63Å; N227-T270 VanDerWaalsContact OD1-OG1 3.08Å
228N88.4Confident90.1Very high116 Ų11640.4 Ų40.462%0.6221%0.213SC*.THydrogen-bonded Turntrans-66-17.6179-66.3-13.4000113.6R224 H225 I226R224-N228 PolarHBondContact O-N 3.04Å; H225-N228 PolarHBondContact O-N 3.47Å; I226-N228 PolarHBondContact O-N 3.35Å
229Q89.5Confident90.3Very high81 Ų8138.5 Ų38.538%0.37920%0.202SC..THydrogen-bonded Turntrans-106.5-0.5-178.5-62.8-65.5-11.200113.4I226 N227 N231 N232 L233I226-Q229 PolarHBondContact O-N 3.03Å; N227-Q229 PolarHBondContact O-N 2.83Å; Q229-N231 PolarHBondContact O-N 2.98Å; Q229-N232 WeakPolarHBondContact O-CB 3.41Å; Q229-N232 PolarHBondContact O-N 3.21Å; Q229-N232 PolarHBondContact OE1-ND2 2.95Å; Q229-N232 VanDerWaalsContact OE1-ND2 3.11Å; Q229-L233 PolarHBondContact O-N 3.42Å
230I88.8Confident90.2Very high1 Ų141.1 Ų41.11%0.00521%0.214CC..G310 helixtrans-52.9-38.1-171.5-84.1177.2000113.6I226 N227 N232 L233 L238 L267 T270 I271 R274I226-I230 PolarHBondContact O-N 3.08Å; N227-I230 PolarHBondContact O-N 2.81Å; I230-N232 PolarHBondContact O-N 3.23Å; I230-L233 HydrophobicContact CG1-CD1 4.13Å; I230-L233 WeakPolarHBondContact O-CB 3.48Å; I230-L233 PolarHBondContact O-N 3.37Å; I230-L233 VanDerWaalsContact O-N 3.13Å; I230-L238 HydrophobicContact CG2-CD2 4.38Å; I230-L267 HydrophobicContact CD1-CD2 3.59Å; I230-L267 HydrophobicContact CG1-CD2 4.43Å; I230-T270 HydrophobicContact CB-CG2 4.05Å; I230-T270 HydrophobicContact CD1-CG2 3.7Å; I230-T270 HydrophobicContact CG1-CG2 4.47Å; I230-T270 HydrophobicContact CG2-CG2 3.69Å; I230-I271 HydrophobicContact CD1-CG1 4.15Å; I230-R274 HydrophobicContact CG2-CB 4.32Å
231N87.3Confident90.3Very high112 Ų11241 Ų4160%0.59921%0.213SC*.G310 helixtrans-64.7-25.8-177.9-70.6-29000113.1Q229 R274Q229-N231 PolarHBondContact O-N 2.98Å; N231-R274 PolarHBondContact O-NH2 3.29Å
232N88.2Confident90.4Very high113 Ų11339.2 Ų39.260%0.60420%0.2SC*.G310 helixtrans-90.8-7.6179.8-59.8-25.6000112.6Q229 I230Q229-N232 WeakPolarHBondContact O-CB 3.41Å; Q229-N232 PolarHBondContact O-N 3.21Å; Q229-N232 PolarHBondContact OE1-ND2 2.95Å; Q229-N232 VanDerWaalsContact OE1-ND2 3.11Å; I230-N232 PolarHBondContact O-N 3.23Å
233L91.4Very high90.2Very high7 Ų740.1 Ų40.14%0.03720%0.204CC..  trans-75.9133.8-178.1-61.6-174.7000111.3I197 I226 Q229 I230 H237 L238 L241I197-L233 HydrophobicContact CD1-CD2 4.26Å; I197-L233 HydrophobicContact CG1-CD2 4.46Å; I197-L233 HydrophobicContact CG2-CD2 3.37Å; I226-L233 HydrophobicContact CG2-CD1 4.25Å; Q229-L233 PolarHBondContact O-N 3.42Å; I230-L233 HydrophobicContact CG1-CD1 4.13Å; I230-L233 WeakPolarHBondContact O-CB 3.48Å; I230-L233 PolarHBondContact O-N 3.37Å; I230-L233 VanDerWaalsContact O-N 3.13Å; L233-H237 HydrophobicContact CB-CB 3.89Å; L233-H237 HydrophobicContact CD2-CB 4.1Å; L233-H237 HydrophobicContact CG-CB 4.39Å; L233-L238 HydrophobicContact CB-CD2 3.89Å; L233-L238 HydrophobicContact CB-CG 4.09Å; L233-L238 HydrophobicContact CD1-CD2 4.08Å; L233-L241 HydrophobicContact CD1-CD2 4.25Å
234S90.8Very high89.9Confident50 Ų5040.7 Ų40.735%0.3521%0.208SC..  trans-66.8163.4169.375.70000111.1V236 H237 L238S234-V236 PolarHBondContact O-N 3.44Å; S234-V236 PolarHBondContact OG-N 3.4Å; S234-H237 WeakPolarHBondContact O-CB 3.43Å; S234-H237 PolarHBondContact O-N 2.91Å; S234-H237 VanDerWaalsContact O-N 3.12Å; S234-H237 VanDerWaalsContact OG-CG 3.24Å; S234-H237 PolarHBondContact OG-N 2.95Å; S234-H237 PolarHBondContact OG-ND1 3.34Å; S234-L238 WeakPolarHBondContact O-CG 3.31Å; S234-L238 PolarHBondContact O-N 2.91Å
235C90.3Very high89.7Confident1 Ų135.6 Ų35.61%0.00719%0.189CC..Hα-helixtrans-59.7-30.8175.8-163.10000112.8T239 I281 V285C235-T239 PolarHBondContact O-N 3.32Å; C235-T239 PolarHBondContact O-OG1 2.86Å; C235-I281 HydrophobicContact CB-CG1 4.1Å; C235-V285 HydrophobicContact CB-CG1 3.69Å; C235-V285 HydrophobicContact CB-CG2 4.22Å
236V89.4Confident89.4Confident52 Ų5233.5 Ų33.532%0.31518%0.18SC..Hα-helixtrans-66.1-47175.81760000110.3F157 S234 L238 T239 Q240 V285F157-V236 HydrophobicContact CE1-CG1 3.8Å; F157-V236 HydrophobicContact CZ-CG1 3.91Å; S234-V236 PolarHBondContact O-N 3.44Å; S234-V236 PolarHBondContact OG-N 3.4Å; V236-L238 PolarHBondContact O-N 2.95Å; V236-T239 WeakPolarHBondContact O-CB 3.5Å; V236-T239 PolarHBondContact O-N 3.18Å; V236-T239 VanDerWaalsContact O-N 3.13Å; V236-Q240 PolarHBondContact O-N 3.1Å; V236-V285 HydrophobicContact CG2-CG1 3.8Å
237H90.3Very high88.9Confident30 Ų3037 Ų3714%0.13920%0.195CC..Hα-helixtrans-60.6-43.7176-64.7162.3000111.8E198 L201 L233 S234 T239 Q240 L241E198-H237 IonicContact OE1-CE1 3.17Å; E198-H237 IonicContact OE1-NE2 2.78Å; L201-H237 HydrophobicContact CD1-CB 3.64Å; L233-H237 HydrophobicContact CB-CB 3.89Å; L233-H237 HydrophobicContact CD2-CB 4.1Å; L233-H237 HydrophobicContact CG-CB 4.39Å; S234-H237 WeakPolarHBondContact O-CB 3.43Å; S234-H237 PolarHBondContact O-N 2.91Å; S234-H237 VanDerWaalsContact O-N 3.12Å; S234-H237 VanDerWaalsContact OG-CG 3.24Å; S234-H237 PolarHBondContact OG-N 2.95Å; S234-H237 PolarHBondContact OG-ND1 3.34Å; H237-T239 VanDerWaalsContact C-N 3.27Å; H237-T239 PolarHBondContact O-N 3.04Å; H237-Q240 PolarHBondContact O-N 3.09Å; H237-L241 WeakPolarHBondContact O-CB 3.42Å; H237-L241 PolarHBondContact O-N 3.4Å
238L92.7Very high88.4Confident0 Ų035.5 Ų35.50%019%0.187CC..Hα-helixtrans-60.8-37.5175.1-66.1175.1000112I230 L233 S234 V236 A242 I271 R274 L275 I281 L293I230-L238 HydrophobicContact CG2-CD2 4.38Å; L233-L238 HydrophobicContact CB-CD2 3.89Å; L233-L238 HydrophobicContact CB-CG 4.09Å; L233-L238 HydrophobicContact CD1-CD2 4.08Å; S234-L238 WeakPolarHBondContact O-CG 3.31Å; S234-L238 PolarHBondContact O-N 2.91Å; V236-L238 PolarHBondContact O-N 2.95Å; L238-A242 VanDerWaalsContact O-CB 3.24Å; L238-A242 WeakPolarHBondContact O-CB 3.43Å; L238-A242 PolarHBondContact O-N 3.42Å; L238-I271 HydrophobicContact CD2-CG1 4.17Å; L238-R274 HydrophobicContact CD1-CG 4.33Å; L238-L275 HydrophobicContact CD1-CD2 4.24Å; L238-I281 HydrophobicContact CD1-CD1 4.2Å; L238-L293 HydrophobicContact CB-CD1 4.4Å; L238-L293 HydrophobicContact CB-CD2 4.21Å
239T91Very high87.9Confident2 Ų231.3 Ų31.31%0.01216%0.163CC..Hα-helixtrans-67.7-45.3178.5-52.40000111.9F157 C235 V236 H237 L241 A242 H243 V289 L293F157-T239 HydrophobicContact CD1-CG2 4.46Å; F157-T239 HydrophobicContact CE1-CG2 4.28Å; C235-T239 PolarHBondContact O-N 3.32Å; C235-T239 PolarHBondContact O-OG1 2.86Å; V236-T239 WeakPolarHBondContact O-CB 3.5Å; V236-T239 PolarHBondContact O-N 3.18Å; V236-T239 VanDerWaalsContact O-N 3.13Å; H237-T239 VanDerWaalsContact C-N 3.27Å; H237-T239 PolarHBondContact O-N 3.04Å; T239-L241 PolarHBondContact O-N 3.42Å; T239-A242 PolarHBondContact O-N 3.4Å; T239-H243 PolarHBondContact O-N 2.96Å; T239-V289 HydrophobicContact CG2-CG1 3.9Å; T239-V289 WeakPolarHBondContact OG1-CG1 3.48Å; T239-L293 HydrophobicContact CG2-CB 4.12Å
240Q87.9Confident86.7Confident55 Ų5532.4 Ų32.426%0.25718%0.179SC..Hα-helixtrans-59-48175.5-71.6173.2-25.500111.1F157 V236 H237 A242 H243 V244F157-Q240 HydrophobicContact CD1-CG 3.7Å; F157-Q240 HydrophobicContact CE1-CG 4.14Å; V236-Q240 PolarHBondContact O-N 3.1Å; H237-Q240 PolarHBondContact O-N 3.09Å; Q240-A242 PolarHBondContact O-N 2.84Å; Q240-H243 PolarHBondContact O-N 2.93Å; Q240-V244 WeakPolarHBondContact O-CG2 3.33Å; Q240-V244 PolarHBondContact O-N 3.05Å; Q240-V244 VanDerWaalsContact O-N 3.17Å
241L90.6Very high85.6Confident1 Ų133.9 Ų33.91%0.00519%0.19CC..Hα-helixtrans-60.3-47177.4-178.259.5000111.8L201 I226 L233 H237 T239 H243 V244 L245 L267 I271L201-L241 HydrophobicContact CD2-CB 4Å; L201-L241 HydrophobicContact CD2-CD1 4.27Å; I226-L241 HydrophobicContact CD1-CD1 4.21Å; I226-L241 HydrophobicContact CG2-CD1 3.95Å; I226-L241 HydrophobicContact CG2-CD2 3.48Å; I226-L241 VanDerWaalsContact CG2-CD2 3.48Å; I226-L241 HydrophobicContact CG2-CG 4.34Å; L233-L241 HydrophobicContact CD1-CD2 4.25Å; H237-L241 WeakPolarHBondContact O-CB 3.42Å; H237-L241 PolarHBondContact O-N 3.4Å; T239-L241 PolarHBondContact O-N 3.42Å; L241-H243 VanDerWaalsContact C-N 3.31Å; L241-H243 PolarHBondContact O-N 3.47Å; L241-V244 PolarHBondContact O-N 2.97Å; L241-L245 HydrophobicContact CD1-CD1 4.44Å; L241-L245 HydrophobicContact CD1-CG 4.39Å; L241-L245 HydrophobicContact CG-CD1 4.13Å; L241-L245 HydrophobicContact CG-CG 4.49Å; L241-L245 VanDerWaalsContact O-CG 3.31Å; L241-L245 WeakPolarHBondContact O-CG 3.15Å; L241-L245 PolarHBondContact O-N 3.44Å; L241-L267 HydrophobicContact CD2-CD2 4.41Å; L241-I271 HydrophobicContact CD2-CD1 3.86Å; L241-I271 HydrophobicContact CD2-CG1 4.41Å; L241-I271 HydrophobicContact CG-CD1 4.07Å
242A92Very high83.9Confident0 Ų032.9 Ų32.90%018%0.181CC..Hα-helixtrans-57.2-43.6178.200000112.3L238 T239 Q240 V244 L245 S246 L293 D296 I297L238-A242 VanDerWaalsContact O-CB 3.24Å; L238-A242 WeakPolarHBondContact O-CB 3.43Å; L238-A242 PolarHBondContact O-N 3.42Å; T239-A242 PolarHBondContact O-N 3.4Å; Q240-A242 PolarHBondContact O-N 2.84Å; A242-V244 PolarHBondContact O-N 3.38Å; A242-L245 PolarHBondContact O-N 3.36Å; A242-S246 WeakPolarHBondContact O-CB 3.42Å; A242-S246 PolarHBondContact O-N 3.03Å; A242-L293 HydrophobicContact CB-CD1 3.45Å; A242-L293 VanDerWaalsContact CB-CD1 3.45Å; A242-D296 HydrophobicContact CB-CB 3.85Å; A242-I297 HydrophobicContact CB-CG2 3.48Å; A242-I297 VanDerWaalsContact CB-CG2 3.48Å
243H87.5Confident82.1Confident21 Ų2133.3 Ų33.310%0.09719%0.188CC..Hα-helixtrans-61.4-43.2177.5-178.463.2000112.3D158 T239 Q240 L241 S246 K247 R292 D296D158-H243 IonicContact OD1-CD2 3.33Å; D158-H243 IonicContact OD1-CE1 2.73Å; D158-H243 IonicContact OD1-NE2 2.56Å; D158-H243 PolarHBondContact OD1-NE2 3.15Å; T239-H243 PolarHBondContact O-N 2.96Å; Q240-H243 PolarHBondContact O-N 2.93Å; L241-H243 VanDerWaalsContact C-N 3.31Å; L241-H243 PolarHBondContact O-N 3.47Å; H243-S246 WeakPolarHBondContact O-CB 3.29Å; H243-S246 PolarHBondContact O-N 3.2Å; H243-K247 PolarHBondContact O-N 3.49Å; H243-R292 PolarHBondContact CE1-NH2 3.02Å; H243-R292 VanDerWaalsContact CE1-NH2 3.28Å; H243-R292 PolarHBondContact ND1-NH2 3.44Å; H243-D296 WeakPolarHBondContact CA-OD2 3.37Å; H243-D296 IonicContact ND1-OD2 3.62Å
244V86.4Confident80.1Confident12 Ų1238.9 Ų38.97%0.07321%0.209CC..Hα-helixtrans-60.1-47.2174.5174.70000110.8A208 Q240 L241 A242 S246 K247 L248A208-V244 HydrophobicContact CB-CG1 3.87Å; Q240-V244 WeakPolarHBondContact O-CG2 3.33Å; Q240-V244 PolarHBondContact O-N 3.05Å; Q240-V244 VanDerWaalsContact O-N 3.17Å; L241-V244 PolarHBondContact O-N 2.97Å; A242-V244 PolarHBondContact O-N 3.38Å; V244-S246 VanDerWaalsContact C-N 3.34Å; V244-S246 PolarHBondContact O-N 2.77Å; V244-K247 PolarHBondContact O-N 3.2Å; V244-L248 HydrophobicContact CG1-CD1 4.47Å; V244-L248 WeakPolarHBondContact O-CG 3.25Å; V244-L248 PolarHBondContact O-N 3.35Å; V244-L248 VanDerWaalsContact O-N 3.15Å
245L88.6Confident78.8Confident0 Ų046.5 Ų46.50%024%0.236CC..Hα-helixtrans-64-38.9178.9-62.4173.4000112.3L241 A242 L248 K249 I264 L267 I271 W299L241-L245 HydrophobicContact CD1-CD1 4.44Å; L241-L245 HydrophobicContact CD1-CG 4.39Å; L241-L245 HydrophobicContact CG-CD1 4.13Å; L241-L245 HydrophobicContact CG-CG 4.49Å; L241-L245 VanDerWaalsContact O-CG 3.31Å; L241-L245 WeakPolarHBondContact O-CG 3.15Å; L241-L245 PolarHBondContact O-N 3.44Å; A242-L245 PolarHBondContact O-N 3.36Å; L245-L248 PolarHBondContact O-N 3.13Å; L245-K249 WeakPolarHBondContact O-CG 3.3Å; L245-K249 PolarHBondContact O-N 2.96Å; L245-I264 HydrophobicContact CD2-CB 4.45Å; L245-I264 HydrophobicContact CD2-CG1 4.3Å; L245-I264 HydrophobicContact CD2-CG2 4.1Å; L245-L267 HydrophobicContact CD1-CB 3.82Å; L245-L267 HydrophobicContact CD2-CB 4.37Å; L245-L267 HydrophobicContact CD2-CD1 3.94Å; L245-I271 HydrophobicContact CD1-CD1 3.83Å; L245-W299 HydrophobicContact CB-CZ2 4.18Å
246S85.9Confident77.8Confident13 Ų1347.6 Ų47.69%0.09124%0.241CC..Hα-helixtrans-59.7-47.4176.7-175.10000111.2A242 H243 V244 L248 K249 C250 D296A242-S246 WeakPolarHBondContact O-CB 3.42Å; A242-S246 PolarHBondContact O-N 3.03Å; H243-S246 WeakPolarHBondContact O-CB 3.29Å; H243-S246 PolarHBondContact O-N 3.2Å; V244-S246 VanDerWaalsContact C-N 3.34Å; V244-S246 PolarHBondContact O-N 2.77Å; S246-L248 PolarHBondContact O-N 3.41Å; S246-K249 PolarHBondContact O-N 3.42Å; S246-C250 PolarHBondContact O-N 3.07Å; S246-C250 PolarHBondContact O-SG 2.75Å; S246-D296 WeakPolarHBondContact CB-O 3.45Å; S246-D296 PolarHBondContact OG-OD1 3.12Å
247K80.5Confident77.2Confident76 Ų7647.8 Ų47.833%0.3324%0.243SC..Hα-helixtrans-59.3-43.8175-75-177.5171.3-178.20112.1S161 H243 V244 K249 C250 S251S161-K247 PolarHBondContact O-NZ 3Å; S161-K247 PolarHBondContact OG-NZ 2.91Å; H243-K247 PolarHBondContact O-N 3.49Å; V244-K247 PolarHBondContact O-N 3.2Å; K247-K249 PolarHBondContact O-N 2.83Å; K247-C250 PolarHBondContact O-N 3.46Å; K247-S251 PolarHBondContact O-N 2.82Å; K247-S251 VanDerWaalsContact O-N 3.17Å
248L79.4Confident76.9Confident3 Ų354.2 Ų54.22%0.01627%0.273CS..Hα-helixtrans-61.7-44.3176-66.3170.3000111.4A208 Y219 V244 L245 S246 C250 S251 F256 I264A208-L248 HydrophobicContact CB-CD2 3.98Å; A208-L248 HydrophobicContact CB-CG 4.38Å; Y219-L248 HydrophobicContact CE1-CD1 3.64Å; Y219-L248 HydrophobicContact CE1-CD2 3.94Å; Y219-L248 HydrophobicContact CE1-CG 4.43Å; Y219-L248 WeakPolarHBondContact OH-CD1 3.42Å; V244-L248 HydrophobicContact CG1-CD1 4.47Å; V244-L248 WeakPolarHBondContact O-CG 3.25Å; V244-L248 PolarHBondContact O-N 3.35Å; V244-L248 VanDerWaalsContact O-N 3.15Å; L245-L248 PolarHBondContact O-N 3.13Å; S246-L248 PolarHBondContact O-N 3.41Å; L248-C250 PolarHBondContact O-N 3.29Å; L248-S251 PolarHBondContact O-N 2.74Å; L248-S251 VanDerWaalsContact O-N 3.12Å; L248-S251 PolarHBondContact O-OG 3.45Å; L248-F256 HydrophobicContact CB-CZ 4.33Å; L248-F256 VanDerWaalsContact O-CE2 3.3Å; L248-F256 WeakPolarHBondContact O-CE2 3.38Å; L248-F256 WeakPolarHBondContact O-CZ 3.4Å; L248-I264 HydrophobicContact CB-CD1 4.09Å; L248-I264 HydrophobicContact CD1-CD1 3.87Å; L248-I264 HydrophobicContact CD1-CG1 4.17Å
249K77.5Confident76.5Confident27 Ų2760.8 Ų60.812%0.11730%0.302CS..Hα-helixtrans-61.4-41.7176.6-76-60.1-166.6-171.20113L245 S246 K247 S251 Q252 I264 N265 W299L245-K249 WeakPolarHBondContact O-CG 3.3Å; L245-K249 PolarHBondContact O-N 2.96Å; S246-K249 PolarHBondContact O-N 3.42Å; K247-K249 PolarHBondContact O-N 2.83Å; K249-S251 PolarHBondContact O-N 3.2Å; K249-Q252 VanDerWaalsContact O-CB 3.27Å; K249-Q252 WeakPolarHBondContact O-CB 3.43Å; K249-Q252 WeakPolarHBondContact O-CG 3.35Å; K249-Q252 PolarHBondContact O-N 3.14Å; K249-Q252 VanDerWaalsContact O-N 3.16Å; K249-I264 HydrophobicContact CD-CG2 4.17Å; K249-I264 HydrophobicContact CG-CG2 4.3Å; K249-N265 WeakPolarHBondContact CE-OD1 3.27Å; K249-N265 PolarHBondContact NZ-OD1 3.4Å; K249-W299 HydrophobicContact CD-CD2 4.48Å; K249-W299 VanDerWaalsContact CE-CZ3 3.43Å; K249-W299 HydrophobicContact CG-CD2 4.01Å; K249-W299 HydrophobicContact CG-CE3 4.49Å; K249-W299 HydrophobicContact CG-CG 4.42Å; K249-W299 HydrophobicContact CG-CH2 4.45Å; K249-W299 HydrophobicContact CG-CZ2 3.98Å
250C65.3Low76.3Confident105 Ų10560.8 Ų60.871%0.70930%0.302SS*.Hα-helixtrans-62.1-29.9175-69.80000112.5S246 K247 L248 Q252S246-C250 PolarHBondContact O-N 3.07Å; S246-C250 PolarHBondContact O-SG 2.75Å; K247-C250 PolarHBondContact O-N 3.46Å; L248-C250 PolarHBondContact O-N 3.29Å; C250-Q252 PolarHBondContact O-N 2.7Å
251S64.3Low76.2Confident32 Ų3261.2 Ų61.222%0.22430%0.304CS..THydrogen-bonded Turntrans-79.710.4176.273.80000115.1K247 L248 K249 T253 Y254 F256K247-S251 PolarHBondContact O-N 2.82Å; K247-S251 VanDerWaalsContact O-N 3.17Å; L248-S251 PolarHBondContact O-N 2.74Å; L248-S251 VanDerWaalsContact O-N 3.12Å; L248-S251 PolarHBondContact O-OG 3.45Å; K249-S251 PolarHBondContact O-N 3.2Å; S251-T253 PolarHBondContact O-N 3.22Å; S251-T253 PolarHBondContact O-OG1 3.07Å; S251-Y254 VanDerWaalsContact O-CD2 3.24Å; S251-Y254 WeakPolarHBondContact O-CD2 3.33Å; S251-Y254 PolarHBondContact O-N 3.34Å; S251-F256 WeakPolarHBondContact OG-CZ 3.48Å
252Q52Low76.1Confident90 Ų9064.2 Ų64.242%0.42132%0.322SS..THydrogen-bonded Turntrans-60.4-0.9176.6-81.8-175.7-7.800115.8K249 C250 Y254 F256K249-Q252 VanDerWaalsContact O-CB 3.27Å; K249-Q252 WeakPolarHBondContact O-CB 3.43Å; K249-Q252 WeakPolarHBondContact O-CG 3.35Å; K249-Q252 PolarHBondContact O-N 3.14Å; K249-Q252 VanDerWaalsContact O-N 3.16Å; C250-Q252 PolarHBondContact O-N 2.7Å; Q252-Y254 PolarHBondContact O-N 2.7Å; Q252-Y254 VanDerWaalsContact O-N 3.17Å; Q252-F256 HydrophobicContact CB-CE2 4.41Å; Q252-F256 HydrophobicContact CG-CD2 3.88Å; Q252-F256 HydrophobicContact CG-CE2 3.62Å
253T49.7Very low76Confident122 Ų12265.6 Ų65.675%0.74833%0.329SS*.THydrogen-bonded Turntrans-53.3-24.2158.538.40000112.3S251S251-T253 PolarHBondContact O-N 3.22Å; S251-T253 PolarHBondContact O-OG1 3.07Å
254Y51.2Low76.1Confident124 Ų12464.6 Ų64.649%0.48632%0.324SS..SBendtrans-97.6118171.8-53.8-74.9000109.7K212 S251 Q252 F256K212-Y254 VanDerWaalsContact NZ-CD1 3.26Å; K212-Y254 VanDerWaalsContact NZ-CG 3.26Å; S251-Y254 VanDerWaalsContact O-CD2 3.24Å; S251-Y254 WeakPolarHBondContact O-CD2 3.33Å; S251-Y254 PolarHBondContact O-N 3.34Å; Q252-Y254 PolarHBondContact O-N 2.7Å; Q252-Y254 VanDerWaalsContact O-N 3.17Å; Y254-F256 PolarHBondContact O-N 3.41Å
255K63.4Low76.3Confident210 Ų21066.4 Ų66.491%0.91333%0.333SS*.  trans-55.693.6174.3-68.8177.5179.4176.40110.2
256F68Low76.5Confident24 Ų2470.3 Ų70.311%0.10535%0.354CS..  trans-57.9141.1175.3-72.7-74.3000110.4W211 L248 S251 Q252 Y254 L260 H261W211-F256 AromaticContact CE2-CE1 3.8Å; W211-F256 AromaticContact CH2-CD1 3.76Å; W211-F256 HydrophobicContact CH2-CD1 3.76Å; W211-F256 AromaticContact CH2-CE1 3.84Å; W211-F256 HydrophobicContact CH2-CE1 3.84Å; W211-F256 AromaticContact CZ2-CD1 3.82Å; W211-F256 HydrophobicContact CZ2-CD1 3.82Å; W211-F256 AromaticContact CZ2-CE1 3.37Å; W211-F256 HydrophobicContact CZ2-CE1 3.37Å; W211-F256 HydrophobicContact CZ2-CZ 4.25Å; W211-F256 HydrophobicContact CZ3-CD1 4.34Å; L248-F256 HydrophobicContact CB-CZ 4.33Å; L248-F256 VanDerWaalsContact O-CE2 3.3Å; L248-F256 WeakPolarHBondContact O-CE2 3.38Å; L248-F256 WeakPolarHBondContact O-CZ 3.4Å; S251-F256 WeakPolarHBondContact OG-CZ 3.48Å; Q252-F256 HydrophobicContact CB-CE2 4.41Å; Q252-F256 HydrophobicContact CG-CD2 3.88Å; Q252-F256 HydrophobicContact CG-CE2 3.62Å; Y254-F256 PolarHBondContact O-N 3.41Å; F256-L260 HydrophobicContact CD1-CD2 3.78Å; F256-L260 HydrophobicContact CD1-CG 4.27Å; F256-L260 HydrophobicContact CE1-CD2 4.17Å; F256-H261 HydrophobicContact CB-CB 4.19Å
257P78.2Confident76.9Confident56 Ų5669.7 Ų69.736%0.36435%0.349SS..  trans-58.2144165.7-24.235.6000110.6P216 K259 L260 H261P216-P257 HydrophobicContact CB-CB 4.33Å; P216-P257 HydrophobicContact CB-CG 3.7Å; P216-P257 HydrophobicContact CG-CG 3.72Å; P257-K259 VanDerWaalsContact C-N 3.26Å; P257-K259 PolarHBondContact O-N 3.33Å; P257-K259 VanDerWaalsContact O-N 3.13Å; P257-L260 PolarHBondContact O-N 3.36Å; P257-L260 VanDerWaalsContact O-N 3.16Å; P257-H261 PolarHBondContact O-N 2.95Å; P257-H261 VanDerWaalsContact O-N 3.1Å
258Q82.8Confident77.5Confident165 Ų16566 Ų6677%0.77133%0.334SS*.Hα-helixtrans-53.6-39.7-171.7-170174.73.300113.1H261 T262Q258-H261 PolarHBondContact O-N 2.78Å; Q258-T262 PolarHBondContact O-N 3.49Å; Q258-T262 PolarHBondContact O-OG1 2.86Å
259K84.7Confident78.2Confident139 Ų13968.4 Ų68.460%0.60435%0.35SS*.Hα-helixtrans-61.7-50179.1-72.9-179.4177.5179.30113.2N217 P257 H261 T262 E263N217-K259 WeakPolarHBondContact OD1-CD 3.46Å; P257-K259 VanDerWaalsContact C-N 3.26Å; P257-K259 PolarHBondContact O-N 3.33Å; P257-K259 VanDerWaalsContact O-N 3.13Å; K259-H261 VanDerWaalsContact C-N 3.31Å; K259-H261 PolarHBondContact O-N 3.46Å; K259-T262 WeakPolarHBondContact O-CB 3.37Å; K259-T262 PolarHBondContact O-N 3.44Å; K259-E263 PolarHBondContact O-N 3.01Å
260L86Confident79Confident1 Ų169 Ų691%0.00536%0.357CS..Hα-helixtrans-64.3-39.7178.6178.857.4000110.8W211 P216 Y219 A220 L223 F256 P257 T262 E263 I264W211-L260 HydrophobicContact CD2-CD2 4.19Å; W211-L260 HydrophobicContact CE3-CD2 3.94Å; W211-L260 HydrophobicContact CZ3-CD2 4.34Å; P216-L260 HydrophobicContact CB-CB 4.47Å; P216-L260 HydrophobicContact CB-CD2 4.19Å; Y219-L260 HydrophobicContact CD1-CD1 3.64Å; Y219-L260 HydrophobicContact CD1-CD2 4.01Å; Y219-L260 HydrophobicContact CD1-CG 4.5Å; Y219-L260 HydrophobicContact CE1-CD1 4.24Å; Y219-L260 HydrophobicContact CG-CD1 4.23Å; A220-L260 HydrophobicContact CB-CD1 4.37Å; L223-L260 HydrophobicContact CD1-CD1 3.74Å; F256-L260 HydrophobicContact CD1-CD2 3.78Å; F256-L260 HydrophobicContact CD1-CG 4.27Å; F256-L260 HydrophobicContact CE1-CD2 4.17Å; P257-L260 PolarHBondContact O-N 3.36Å; P257-L260 VanDerWaalsContact O-N 3.16Å; L260-T262 VanDerWaalsContact C-N 3.33Å; L260-T262 PolarHBondContact O-N 3.12Å; L260-E263 PolarHBondContact O-N 2.9Å; L260-I264 HydrophobicContact CD1-CD1 4.08Å; L260-I264 HydrophobicContact CD1-CG1 4.26Å; L260-I264 HydrophobicContact CG-CD1 3.98Å; L260-I264 VanDerWaalsContact O-CG1 3.27Å; L260-I264 WeakPolarHBondContact O-CG1 3.43Å; L260-I264 PolarHBondContact O-N 3.18Å; L260-I264 VanDerWaalsContact O-N 3.08Å
261H86.1Confident80.4Confident65 Ų6564 Ų6430%0.30132%0.323SS..Hα-helixtrans-59.6-43.3174.6-17391.1000112.4F256 P257 Q258 K259 N265F256-H261 HydrophobicContact CB-CB 4.19Å; P257-H261 PolarHBondContact O-N 2.95Å; P257-H261 VanDerWaalsContact O-N 3.1Å; Q258-H261 PolarHBondContact O-N 2.78Å; K259-H261 VanDerWaalsContact C-N 3.31Å; K259-H261 PolarHBondContact O-N 3.46Å; H261-N265 PolarHBondContact CD2-ND2 2.77Å; H261-N265 PolarHBondContact NE2-ND2 3.16Å; H261-N265 PolarHBondContact O-N 2.69Å; H261-N265 VanDerWaalsContact O-N 3.1Å; H261-N265 PolarHBondContact O-ND2 3.06Å
262T88.3Confident81.9Confident64 Ų6462.7 Ų62.739%0.39331%0.314SS..Hα-helixtrans-61.9-49.1176.8-62.20000111.6Q258 K259 L260 I264 N265 L266Q258-T262 PolarHBondContact O-N 3.49Å; Q258-T262 PolarHBondContact O-OG1 2.86Å; K259-T262 WeakPolarHBondContact O-CB 3.37Å; K259-T262 PolarHBondContact O-N 3.44Å; L260-T262 VanDerWaalsContact C-N 3.33Å; L260-T262 PolarHBondContact O-N 3.12Å; T262-I264 VanDerWaalsContact C-N 3.35Å; T262-I264 PolarHBondContact O-N 3.45Å; T262-N265 PolarHBondContact O-N 2.7Å; T262-L266 HydrophobicContact CG2-CD1 3.87Å; T262-L266 HydrophobicContact CG2-CG 4.25Å; T262-L266 WeakPolarHBondContact O-CG 3.32Å; T262-L266 PolarHBondContact O-N 2.95Å
263E90.4Very high83.9Confident28 Ų2863.8 Ų63.813%0.13132%0.321CS..Hα-helixtrans-62.3-40.7-179.6-66.7-68.7-178.100112.2A220 L223 R224 K259 L260 N265 L266 L267A220-E263 HydrophobicContact CB-CG 4.02Å; L223-E263 HydrophobicContact CB-CB 4.4Å; R224-E263 IonicContact NE-OE1 2.97Å; R224-E263 PolarHBondContact NE-OE1 2.72Å; K259-E263 PolarHBondContact O-N 3.01Å; L260-E263 PolarHBondContact O-N 2.9Å; E263-N265 PolarHBondContact O-N 3.33Å; E263-L266 PolarHBondContact O-N 2.96Å; E263-L267 WeakPolarHBondContact O-CB 3.41Å; E263-L267 WeakPolarHBondContact O-CG 3.42Å; E263-L267 PolarHBondContact O-N 3.48Å
264I90.2Very high86Confident1 Ų161.6 Ų61.61%0.00530%0.299CS..Hα-helixtrans-60.5-46.1175-67.1166.3000110.6L223 L245 L248 K249 L260 T262 G268 W299L223-I264 HydrophobicContact CD1-CG1 3.86Å; L245-I264 HydrophobicContact CD2-CB 4.45Å; L245-I264 HydrophobicContact CD2-CG1 4.3Å; L245-I264 HydrophobicContact CD2-CG2 4.1Å; L248-I264 HydrophobicContact CB-CD1 4.09Å; L248-I264 HydrophobicContact CD1-CD1 3.87Å; L248-I264 HydrophobicContact CD1-CG1 4.17Å; K249-I264 HydrophobicContact CD-CG2 4.17Å; K249-I264 HydrophobicContact CG-CG2 4.3Å; L260-I264 HydrophobicContact CD1-CD1 4.08Å; L260-I264 HydrophobicContact CD1-CG1 4.26Å; L260-I264 HydrophobicContact CG-CD1 3.98Å; L260-I264 VanDerWaalsContact O-CG1 3.27Å; L260-I264 WeakPolarHBondContact O-CG1 3.43Å; L260-I264 PolarHBondContact O-N 3.18Å; L260-I264 VanDerWaalsContact O-N 3.08Å; T262-I264 VanDerWaalsContact C-N 3.35Å; T262-I264 PolarHBondContact O-N 3.45Å; I264-G268 PolarHBondContact O-N 3.36Å; I264-W299 HydrophobicContact CG2-CH2 4.15Å; I264-W299 WeakPolarHBondContact O-CH2 3.4Å
265N91Very high88Confident50 Ų5055.7 Ų55.727%0.26728%0.276SS..Hα-helixtrans-64.2-41.8178.8-76.7-22.7000112.5K249 H261 T262 E263 G268 S269K249-N265 WeakPolarHBondContact CE-OD1 3.27Å; K249-N265 PolarHBondContact NZ-OD1 3.4Å; H261-N265 PolarHBondContact CD2-ND2 2.77Å; H261-N265 PolarHBondContact NE2-ND2 3.16Å; H261-N265 PolarHBondContact O-N 2.69Å; H261-N265 VanDerWaalsContact O-N 3.1Å; H261-N265 PolarHBondContact O-ND2 3.06Å; T262-N265 PolarHBondContact O-N 2.7Å; E263-N265 PolarHBondContact O-N 3.33Å; N265-G268 PolarHBondContact O-N 3.42Å; N265-S269 WeakPolarHBondContact O-CB 3.29Å; N265-S269 PolarHBondContact O-N 2.93Å; N265-S269 PolarHBondContact O-OG 3.35Å
266L92.2Very high89.5Confident81 Ų8148.4 Ų48.442%0.42425%0.247SC..Hα-helixtrans-61.6-51177.4-73.5173.9000110.1T262 E263 G268 S269 T270T262-L266 HydrophobicContact CG2-CD1 3.87Å; T262-L266 HydrophobicContact CG2-CG 4.25Å; T262-L266 WeakPolarHBondContact O-CG 3.32Å; T262-L266 PolarHBondContact O-N 2.95Å; E263-L266 PolarHBondContact O-N 2.96Å; L266-G268 PolarHBondContact O-N 3Å; L266-S269 WeakPolarHBondContact O-CB 3.36Å; L266-S269 PolarHBondContact O-N 3.47Å; L266-S269 VanDerWaalsContact O-N 3.12Å; L266-T270 PolarHBondContact O-N 3.42Å; L266-T270 PolarHBondContact O-OG1 2.83Å
267L93.6Very high90.6Very high0 Ų051.5 Ų51.50%027%0.272CS..Hα-helixtrans-55.4-49.8176.6-78.7174.9000112.4L223 I226 N227 I230 L241 L245 E263 S269 T270 I271L223-L267 HydrophobicContact CB-CD1 3.71Å; L223-L267 HydrophobicContact CD1-CD1 4.3Å; L223-L267 HydrophobicContact CD2-CD1 3.86Å; L223-L267 HydrophobicContact CG-CD1 4.16Å; I226-L267 HydrophobicContact CG2-CD2 4.32Å; N227-L267 VanDerWaalsContact CA-CD2 3.43Å; N227-L267 HydrophobicContact CB-CD2 3.43Å; N227-L267 VanDerWaalsContact CB-CD2 3.43Å; N227-L267 HydrophobicContact CB-CG 4.23Å; I230-L267 HydrophobicContact CD1-CD2 3.59Å; I230-L267 HydrophobicContact CG1-CD2 4.43Å; L241-L267 HydrophobicContact CD2-CD2 4.41Å; L245-L267 HydrophobicContact CD1-CB 3.82Å; L245-L267 HydrophobicContact CD2-CB 4.37Å; L245-L267 HydrophobicContact CD2-CD1 3.94Å; E263-L267 WeakPolarHBondContact O-CB 3.41Å; E263-L267 WeakPolarHBondContact O-CG 3.42Å; E263-L267 PolarHBondContact O-N 3.48Å; L267-S269 VanDerWaalsContact C-N 3.27Å; L267-S269 PolarHBondContact O-N 3.1Å; L267-T270 PolarHBondContact O-N 3.09Å; L267-I271 VanDerWaalsContact O-CG1 3.25Å; L267-I271 WeakPolarHBondContact O-CG1 3.45Å; L267-I271 PolarHBondContact O-N 3.34Å
268G93.5Very high91Very high0 Ų049.9 Ų49.90%027%0.265CS..Hα-helixtrans-58.6-40.2177.800000112.8I264 N265 L266 A272I264-G268 PolarHBondContact O-N 3.36Å; N265-G268 PolarHBondContact O-N 3.42Å; L266-G268 PolarHBondContact O-N 3Å; G268-A272 WeakPolarHBondContact O-CB 3.3Å; G268-A272 PolarHBondContact O-N 3.07Å
269S93.8Very high91.3Very high53 Ų5347.3 Ų47.337%0.37125%0.251SS..Hα-helixtrans-68.9-41.6177.4-55.50000112.1N265 L266 L267 A272 I273N265-S269 WeakPolarHBondContact O-CB 3.29Å; N265-S269 PolarHBondContact O-N 2.93Å; N265-S269 PolarHBondContact O-OG 3.35Å; L266-S269 WeakPolarHBondContact O-CB 3.36Å; L266-S269 PolarHBondContact O-N 3.47Å; L266-S269 VanDerWaalsContact O-N 3.12Å; L267-S269 VanDerWaalsContact C-N 3.27Å; L267-S269 PolarHBondContact O-N 3.1Å; S269-A272 WeakPolarHBondContact O-CB 3.32Å; S269-A272 PolarHBondContact O-N 3.38Å; S269-I273 VanDerWaalsContact O-CG1 3.29Å; S269-I273 WeakPolarHBondContact O-CG1 3.17Å; S269-I273 PolarHBondContact O-N 3.05Å
270T94.3Very high91.3Very high40 Ų4048.1 Ų48.125%0.24526%0.257CS..Hα-helixtrans-64.8-41.7177.1-48.70000111N227 I230 L266 L267 A272 I273 R274N227-T270 PolarHBondContact OD1-OG1 2.63Å; N227-T270 VanDerWaalsContact OD1-OG1 3.08Å; I230-T270 HydrophobicContact CB-CG2 4.05Å; I230-T270 HydrophobicContact CD1-CG2 3.7Å; I230-T270 HydrophobicContact CG1-CG2 4.47Å; I230-T270 HydrophobicContact CG2-CG2 3.69Å; L266-T270 PolarHBondContact O-N 3.42Å; L266-T270 PolarHBondContact O-OG1 2.83Å; L267-T270 PolarHBondContact O-N 3.09Å; T270-A272 VanDerWaalsContact C-N 3.35Å; T270-A272 PolarHBondContact O-N 3.03Å; T270-I273 PolarHBondContact O-N 2.99Å; T270-R274 WeakPolarHBondContact O-CB 3.45Å; T270-R274 PolarHBondContact O-N 3.2Å
271I95.2Very high91.5Very high0 Ų049.6 Ų49.60%027%0.265CS..Hα-helixtrans-59.4-47.9172.6-63.5165.8000109.8I230 L238 L241 L245 L267 I273 R274 L275 L293 I297I230-I271 HydrophobicContact CD1-CG1 4.15Å; L238-I271 HydrophobicContact CD2-CG1 4.17Å; L241-I271 HydrophobicContact CD2-CD1 3.86Å; L241-I271 HydrophobicContact CD2-CG1 4.41Å; L241-I271 HydrophobicContact CG-CD1 4.07Å; L245-I271 HydrophobicContact CD1-CD1 3.83Å; L267-I271 VanDerWaalsContact O-CG1 3.25Å; L267-I271 WeakPolarHBondContact O-CG1 3.45Å; L267-I271 PolarHBondContact O-N 3.34Å; I271-I273 PolarHBondContact O-N 3.33Å; I271-R274 PolarHBondContact O-N 3.18Å; I271-L275 HydrophobicContact CG2-CD1 4.15Å; I271-L275 HydrophobicContact CG2-CG 4.35Å; I271-L275 WeakPolarHBondContact O-CG 3.1Å; I271-L275 PolarHBondContact O-N 2.89Å; I271-L293 HydrophobicContact CG2-CD1 4.18Å; I271-I297 HydrophobicContact CD1-CG2 4.47Å; I271-I297 HydrophobicContact CG2-CD1 3.84Å; I271-I297 HydrophobicContact CG2-CG2 4.16Å
272A94.7Very high91.7Very high4 Ų446.6 Ų46.63%0.03325%0.251CS..Hα-helixtrans-57.3-46.6177.800000112.2G268 S269 T270 R274 L275 L276 L301G268-A272 WeakPolarHBondContact O-CB 3.3Å; G268-A272 PolarHBondContact O-N 3.07Å; S269-A272 WeakPolarHBondContact O-CB 3.32Å; S269-A272 PolarHBondContact O-N 3.38Å; T270-A272 VanDerWaalsContact C-N 3.35Å; T270-A272 PolarHBondContact O-N 3.03Å; A272-R274 PolarHBondContact O-N 3.3Å; A272-L275 PolarHBondContact O-N 3.44Å; A272-L276 WeakPolarHBondContact O-CB 3.37Å; A272-L276 WeakPolarHBondContact O-CD1 3.45Å; A272-L276 VanDerWaalsContact O-CG 3.24Å; A272-L276 WeakPolarHBondContact O-CG 3.47Å; A272-L276 PolarHBondContact O-N 3.43Å; A272-L301 HydrophobicContact CB-CD2 3.5Å; A272-L301 HydrophobicContact CB-CG 4.41Å
273I94.2Very high91.6Very high113 Ų11346.1 Ų46.158%0.57925%0.25SC*.Hα-helixtrans-61.9-42.7176.9-68.9164.8000111S269 T270 I271 L275 L276 S277S269-I273 VanDerWaalsContact O-CG1 3.29Å; S269-I273 WeakPolarHBondContact O-CG1 3.17Å; S269-I273 PolarHBondContact O-N 3.05Å; T270-I273 PolarHBondContact O-N 2.99Å; I271-I273 PolarHBondContact O-N 3.33Å; I273-L275 PolarHBondContact O-N 2.98Å; I273-L276 PolarHBondContact O-N 2.91Å; I273-S277 WeakPolarHBondContact O-CB 3.4Å; I273-S277 PolarHBondContact O-N 2.99Å; I273-S277 PolarHBondContact O-OG 3.3Å
274R93.6Very high91.5Very high75 Ų7548.8 Ų48.828%0.28327%0.272SS..Hα-helixtrans-61.8-43.7178.1-179.556.8173.9146.5-7.1112I230 N231 L238 T270 I271 A272 S277 G278I230-R274 HydrophobicContact CG2-CB 4.32Å; N231-R274 PolarHBondContact O-NH2 3.29Å; L238-R274 HydrophobicContact CD1-CG 4.33Å; T270-R274 WeakPolarHBondContact O-CB 3.45Å; T270-R274 PolarHBondContact O-N 3.2Å; I271-R274 PolarHBondContact O-N 3.18Å; A272-R274 PolarHBondContact O-N 3.3Å; R274-S277 PolarHBondContact O-OG 3.07Å; R274-S277 VanDerWaalsContact O-OG 3.08Å; R274-G278 PolarHBondContact O-N 2.98Å
275L94.4Very high91.4Very high1 Ų149.8 Ų49.81%0.00528%0.277CS..Hα-helixtrans-68.7-37.8178-65.8-178.3000112.4L238 I271 A272 I273 G278 K279 I281 L282 L293 I297 L309L238-L275 HydrophobicContact CD1-CD2 4.24Å; I271-L275 HydrophobicContact CG2-CD1 4.15Å; I271-L275 HydrophobicContact CG2-CG 4.35Å; I271-L275 WeakPolarHBondContact O-CG 3.1Å; I271-L275 PolarHBondContact O-N 2.89Å; A272-L275 PolarHBondContact O-N 3.44Å; I273-L275 PolarHBondContact O-N 2.98Å; L275-G278 CarbonylContact O-C 3.55Å; L275-K279 VanDerWaalsContact O-CA 3.23Å; L275-K279 WeakPolarHBondContact O-CA 3.27Å; L275-K279 PolarHBondContact O-N 3.37Å; L275-K279 VanDerWaalsContact O-N 3.09Å; L275-I281 HydrophobicContact CD2-CG2 3.66Å; L275-L282 HydrophobicContact CD1-CD2 4.42Å; L275-L282 HydrophobicContact CD2-CD2 3.81Å; L275-L282 HydrophobicContact CD2-CG 4.22Å; L275-L293 HydrophobicContact CD1-CD1 4.39Å; L275-L293 HydrophobicContact CD1-CD2 3.93Å; L275-L293 HydrophobicContact CD1-CG 4Å; L275-L293 HydrophobicContact CD2-CD2 4.02Å; L275-I297 HydrophobicContact CD1-CD1 3.55Å; L275-L309 HydrophobicContact CB-CD1 4.16Å; L275-L309 HydrophobicContact CB-CD2 3.93Å; L275-L309 HydrophobicContact CD1-CD1 4.43Å
276L93.9Very high91.2Very high56 Ų5649.4 Ų49.429%0.29328%0.275SS..Hα-helixtrans-72.4-35.3179.1-70.7166.4000112.4A272 I273 Q305 L309A272-L276 WeakPolarHBondContact O-CB 3.37Å; A272-L276 WeakPolarHBondContact O-CD1 3.45Å; A272-L276 VanDerWaalsContact O-CG 3.24Å; A272-L276 WeakPolarHBondContact O-CG 3.47Å; A272-L276 PolarHBondContact O-N 3.43Å; I273-L276 PolarHBondContact O-N 2.91Å; L276-Q305 HydrophobicContact CD1-CB 4.24Å; L276-Q305 HydrophobicContact CD1-CG 3.73Å; L276-Q305 HydrophobicContact CD2-CB 4.15Å; L276-Q305 HydrophobicContact CD2-CG 4.12Å; L276-L309 HydrophobicContact CD2-CD1 4.24Å; L276-L309 HydrophobicContact CD2-CD2 3.87Å; L276-L309 HydrophobicContact CD2-CG 3.89Å; L276-L309 HydrophobicContact CG-CD1 4.45Å; L276-L309 HydrophobicContact CG-CD2 4.31Å
277S91.5Very high91Very high90 Ų9045.5 Ų45.563%0.62926%0.255SS*.Hα-helixtrans-74-27.9177.360.50000113.2I273 R274I273-S277 WeakPolarHBondContact O-CB 3.4Å; I273-S277 PolarHBondContact O-N 2.99Å; I273-S277 PolarHBondContact O-OG 3.3Å; R274-S277 PolarHBondContact O-OG 3.07Å; R274-S277 VanDerWaalsContact O-OG 3.08Å
278G86.7Confident90.9Very high22 Ų2245.6 Ų45.623%0.22726%0.256CS..THydrogen-bonded Turntrans-137.559.5-178.100000113.1R274 L275 E280 I281R274-G278 PolarHBondContact O-N 2.98Å; L275-G278 CarbonylContact O-C 3.55Å; G278-E280 PolarHBondContact O-N 3.32Å; G278-I281 WeakPolarHBondContact O-CB 3.16Å; G278-I281 WeakPolarHBondContact O-CG2 3.45Å; G278-I281 PolarHBondContact O-N 3.2Å
279K88.3Confident90.8Very high111 Ų11146.3 Ų46.348%0.48326%0.26SS..G310 helixtrans-53.7-22.4-175.968.5-178.2179.4-176.50115.2L275 I281 L282 S312L275-K279 VanDerWaalsContact O-CA 3.23Å; L275-K279 WeakPolarHBondContact O-CA 3.27Å; L275-K279 PolarHBondContact O-N 3.37Å; L275-K279 VanDerWaalsContact O-N 3.09Å; K279-I281 PolarHBondContact O-N 3.44Å; K279-L282 WeakPolarHBondContact O-CB 3.11Å; K279-L282 PolarHBondContact O-N 3.49Å; K279-S312 PolarHBondContact O-OG 3.29Å
280E86.7Confident90.7Very high156 Ų15643.8 Ų43.873%0.72924%0.242SC*.G310 helixtrans-63.9-23.9175.4-64.8177-17800112.7G278 L282 C283G278-E280 PolarHBondContact O-N 3.32Å; E280-L282 PolarHBondContact O-N 3.16Å; E280-C283 WeakPolarHBondContact O-CA 3.48Å; E280-C283 VanDerWaalsContact O-CB 3.24Å; E280-C283 WeakPolarHBondContact O-CB 3.48Å; E280-C283 PolarHBondContact O-N 3.2Å
281I89.4Confident90.7Very high31 Ų3142 Ų4216%0.15923%0.231CC..G310 helixtrans-58.4-31.2174.9-159.4175.6000111.5C235 L238 L275 G278 K279 C283 S284C235-I281 HydrophobicContact CB-CG1 4.1Å; L238-I281 HydrophobicContact CD1-CD1 4.2Å; L275-I281 HydrophobicContact CD2-CG2 3.66Å; G278-I281 WeakPolarHBondContact O-CB 3.16Å; G278-I281 WeakPolarHBondContact O-CG2 3.45Å; G278-I281 PolarHBondContact O-N 3.2Å; K279-I281 PolarHBondContact O-N 3.44Å; I281-C283 PolarHBondContact O-N 3.35Å; I281-S284 WeakPolarHBondContact O-CB 3.36Å; I281-S284 PolarHBondContact O-N 2.99Å; I281-S284 VanDerWaalsContact O-N 3.13Å; I281-S284 PolarHBondContact O-OG 3.46Å
282L90Very high90.5Very high2 Ų243.6 Ų43.61%0.0124%0.237CC..G310 helixtrans-66.9-21.2175.9-63.6170.4000112.3L275 K279 E280 S284 A290 L293 L309 I313L275-L282 HydrophobicContact CD1-CD2 4.42Å; L275-L282 HydrophobicContact CD2-CD2 3.81Å; L275-L282 HydrophobicContact CD2-CG 4.22Å; K279-L282 WeakPolarHBondContact O-CB 3.11Å; K279-L282 PolarHBondContact O-N 3.49Å; E280-L282 PolarHBondContact O-N 3.16Å; L282-S284 VanDerWaalsContact C-N 3.3Å; L282-A290 HydrophobicContact CB-CB 4.28Å; L282-A290 HydrophobicContact CD2-CB 4.08Å; L282-L293 HydrophobicContact CD2-CD2 4.02Å; L282-L309 HydrophobicContact CD1-CB 4.31Å; L282-L309 HydrophobicContact CD1-CD2 4.04Å; L282-I313 HydrophobicContact CB-CG1 4.08Å; L282-I313 HydrophobicContact CD1-CD1 4.13Å; L282-I313 HydrophobicContact CD1-CG1 3.88Å; L282-I313 HydrophobicContact CG-CG1 4.43Å
283C86.6Confident90.4Very high55 Ų5543.4 Ų43.437%0.37224%0.236SC..G310 helixtrans-79.8-13.1176.6-56.70000113.2E280 I281 V285 N316E280-C283 WeakPolarHBondContact O-CA 3.48Å; E280-C283 VanDerWaalsContact O-CB 3.24Å; E280-C283 WeakPolarHBondContact O-CB 3.48Å; E280-C283 PolarHBondContact O-N 3.2Å; I281-C283 PolarHBondContact O-N 3.35Å; C283-V285 VanDerWaalsContact C-N 3.26Å; C283-V285 PolarHBondContact O-N 3.45Å; C283-N316 VanDerWaalsContact CA-ND2 3.32Å; C283-N316 WeakPolarHBondContact CA-ND2 2.86Å; C283-N316 HydrophobicContact CB-CB 4.5Å
284S87.8Confident90.5Very high84 Ų8438.1 Ų38.159%0.58721%0.208SC*.G310 helixtrans-75.1-10.3179.670.80000114.3I281 L282I281-S284 WeakPolarHBondContact O-CB 3.36Å; I281-S284 PolarHBondContact O-N 2.99Å; I281-S284 VanDerWaalsContact O-N 3.13Å; I281-S284 PolarHBondContact O-OG 3.46Å; L282-S284 VanDerWaalsContact C-N 3.3Å
285V88.3Confident90.4Very high21 Ų2136.8 Ų36.813%0.12720%0.204CC..SBendtrans-126.5169.1-175.4-66.50000112.2C235 V236 C283 V289 A290C235-V285 HydrophobicContact CB-CG1 3.69Å; C235-V285 HydrophobicContact CB-CG2 4.22Å; V236-V285 HydrophobicContact CG2-CG1 3.8Å; C283-V285 VanDerWaalsContact C-N 3.26Å; C283-V285 PolarHBondContact O-N 3.45Å; V285-V289 HydrophobicContact CB-CB 4.25Å; V285-V289 HydrophobicContact CB-CG1 4.23Å; V285-V289 HydrophobicContact CG2-CB 4.18Å; V285-V289 HydrophobicContact CG2-CG1 4.15Å; V285-A290 HydrophobicContact CG2-CB 4.03Å
286D87.3Confident90.3Very high42 Ų4236.7 Ų36.723%0.22520%0.204CC..  trans-57.6134.6170.3-173.4-60.5000109.8K153 T288 V289 A290K153-D286 IonicContact NZ-OD1 3.14Å; K153-D286 IonicContact NZ-OD2 3.75Å; K153-D286 PolarHBondContact NZ-OD2 3.17Å; D286-T288 PolarHBondContact O-N 2.7Å; D286-T288 VanDerWaalsContact O-N 3.09Å; D286-T288 PolarHBondContact OD1-N 2.85Å; D286-T288 PolarHBondContact OD1-OG1 3.22Å; D286-V289 HydrophobicContact CB-CG2 4.16Å; D286-V289 WeakPolarHBondContact O-CA 3.3Å; D286-V289 VanDerWaalsContact O-CB 3.29Å; D286-V289 WeakPolarHBondContact O-CB 3.35Å; D286-V289 PolarHBondContact O-N 2.86Å; D286-A290 PolarHBondContact O-N 3.48Å; D286-A290 VanDerWaalsContact O-N 3.16Å
287P88.2Confident90.3Very high0 Ų034 Ų340%019%0.19CC..Hα-helixtrans-55.9-28-179.8-35.644.6000114.8V289 A290 I291 I313 F317 Q323P287-V289 VanDerWaalsContact C-N 3.3Å; P287-V289 PolarHBondContact O-N 3.22Å; P287-A290 PolarHBondContact O-N 3.04Å; P287-I291 WeakPolarHBondContact O-CB 3.07Å; P287-I291 WeakPolarHBondContact O-CD1 3.2Å; P287-I291 WeakPolarHBondContact O-CG1 3.46Å; P287-I291 PolarHBondContact O-N 3.24Å; P287-I313 HydrophobicContact CB-CG2 3.97Å; P287-F317 HydrophobicContact CB-CB 4.11Å; P287-F317 HydrophobicContact CB-CD2 3.63Å; P287-F317 HydrophobicContact CB-CE2 4.47Å; P287-F317 HydrophobicContact CB-CG 4.25Å; P287-F317 HydrophobicContact CG-CB 4.1Å; P287-F317 HydrophobicContact CG-CD2 3.76Å; P287-F317 HydrophobicContact CG-CG 4.42Å; P287-Q323 VanDerWaalsContact CD-CD 3.41Å
288T90.8Very high90.3Very high2 Ų232.7 Ų32.71%0.01217%0.173CC..Hα-helixtrans-65.7-35.4173.663.40000112K153 D286 R292 Y327 T328 F331K153-T288 PolarHBondContact NZ-OG1 2.97Å; D286-T288 PolarHBondContact O-N 2.7Å; D286-T288 VanDerWaalsContact O-N 3.09Å; D286-T288 PolarHBondContact OD1-N 2.85Å; D286-T288 PolarHBondContact OD1-OG1 3.22Å; T288-R292 WeakPolarHBondContact O-CB 3.32Å; T288-R292 PolarHBondContact O-N 3.39Å; T288-Y327 HydrophobicContact CG2-CD1 4.39Å; T288-Y327 HydrophobicContact CG2-CE1 4.02Å; T288-T328 HydrophobicContact CG2-CG2 3.73Å; T288-F331 HydrophobicContact CG2-CB 4.18Å; T288-F331 HydrophobicContact CG2-CD1 3.94Å; T288-F331 HydrophobicContact CG2-CG 4.07Å; T288-F331 VanDerWaalsContact O-CE1 3.27Å; T288-F331 WeakPolarHBondContact O-CE1 3.46Å
289V90.8Very high90.5Very high15 Ų1535.1 Ų35.19%0.09118%0.175CC..Hα-helixtrans-66.2-47.5174.2179.30000110W154 F157 T239 V285 D286 P287 I291 R292 L293W154-V289 HydrophobicContact CH2-CG2 4.44Å; F157-V289 HydrophobicContact CE1-CG1 4.32Å; F157-V289 HydrophobicContact CE2-CG2 4.43Å; F157-V289 HydrophobicContact CZ-CG1 4.11Å; F157-V289 HydrophobicContact CZ-CG2 4.19Å; T239-V289 HydrophobicContact CG2-CG1 3.9Å; T239-V289 WeakPolarHBondContact OG1-CG1 3.48Å; V285-V289 HydrophobicContact CB-CB 4.25Å; V285-V289 HydrophobicContact CB-CG1 4.23Å; V285-V289 HydrophobicContact CG2-CB 4.18Å; V285-V289 HydrophobicContact CG2-CG1 4.15Å; D286-V289 HydrophobicContact CB-CG2 4.16Å; D286-V289 WeakPolarHBondContact O-CA 3.3Å; D286-V289 VanDerWaalsContact O-CB 3.29Å; D286-V289 WeakPolarHBondContact O-CB 3.35Å; D286-V289 PolarHBondContact O-N 2.86Å; P287-V289 VanDerWaalsContact C-N 3.3Å; P287-V289 PolarHBondContact O-N 3.22Å; V289-I291 PolarHBondContact O-N 3.01Å; V289-R292 PolarHBondContact O-N 2.91Å; V289-L293 PolarHBondContact O-N 3.02Å
290A92.7Very high90.7Very high0 Ų030.9 Ų30.90%016%0.162CC..Hα-helixtrans-63.2-40.8178.600000113.1L282 V285 D286 P287 L293 L294 I313L282-A290 HydrophobicContact CB-CB 4.28Å; L282-A290 HydrophobicContact CD2-CB 4.08Å; V285-A290 HydrophobicContact CG2-CB 4.03Å; D286-A290 PolarHBondContact O-N 3.48Å; D286-A290 VanDerWaalsContact O-N 3.16Å; P287-A290 PolarHBondContact O-N 3.04Å; A290-L293 PolarHBondContact O-N 2.73Å; A290-L294 PolarHBondContact O-N 3.3Å; A290-I313 HydrophobicContact CB-CD1 3.84Å; A290-I313 HydrophobicContact CB-CG1 3.83Å; A290-I313 HydrophobicContact CB-CG2 3.97Å
291I93Very high91.1Very high2 Ų224 Ų241%0.0113%0.13CC..Hα-helixtrans-66.3-40.7176.6-68.7156.3000110.7P287 V289 L294 Y295 I313 F331 L332 H335P287-I291 WeakPolarHBondContact O-CB 3.07Å; P287-I291 WeakPolarHBondContact O-CD1 3.2Å; P287-I291 WeakPolarHBondContact O-CG1 3.46Å; P287-I291 PolarHBondContact O-N 3.24Å; V289-I291 PolarHBondContact O-N 3.01Å; I291-L294 PolarHBondContact O-N 3.24Å; I291-Y295 WeakPolarHBondContact O-CB 3.32Å; I291-Y295 PolarHBondContact O-N 3.42Å; I291-I313 HydrophobicContact CD1-CG2 4.28Å; I291-I313 HydrophobicContact CG1-CD1 4.46Å; I291-I313 HydrophobicContact CG1-CG2 3.79Å; I291-F331 HydrophobicContact CB-CD1 4.46Å; I291-F331 HydrophobicContact CB-CE1 4.14Å; I291-F331 HydrophobicContact CG2-CD1 4.21Å; I291-F331 HydrophobicContact CG2-CE1 3.96Å; I291-L332 HydrophobicContact CD1-CB 3.97Å; I291-L332 HydrophobicContact CD1-CD1 3.39Å; I291-L332 HydrophobicContact CD1-CG 4.24Å; I291-L332 HydrophobicContact CG1-CD1 4.16Å; I291-H335 HydrophobicContact CG2-CB 3.31Å
292R91Very high91.3Very high33 Ų3325.3 Ų25.313%0.12514%0.142CC..Hα-helixtrans-63-46.7176.8-178.760-174.2-160.2-1.2111.4W154 H243 T288 V289 L294 Y295 D296 F331W154-R292 HydrophobicContact CH2-CB 3.31Å; W154-R292 HydrophobicContact CH2-CG 3.52Å; W154-R292 HydrophobicContact CZ2-CB 3.96Å; W154-R292 HydrophobicContact CZ2-CG 4.22Å; W154-R292 HydrophobicContact CZ3-CB 4.08Å; W154-R292 HydrophobicContact CZ3-CG 3.81Å; H243-R292 PolarHBondContact CE1-NH2 3.02Å; H243-R292 VanDerWaalsContact CE1-NH2 3.28Å; H243-R292 PolarHBondContact ND1-NH2 3.44Å; T288-R292 WeakPolarHBondContact O-CB 3.32Å; T288-R292 PolarHBondContact O-N 3.39Å; V289-R292 PolarHBondContact O-N 2.91Å; R292-L294 VanDerWaalsContact C-N 3.31Å; R292-L294 PolarHBondContact O-N 3.39Å; R292-Y295 CarbonylContact O-C 3.56Å; R292-Y295 WeakPolarHBondContact O-CA 3.31Å; R292-Y295 WeakPolarHBondContact O-CB 3.41Å; R292-Y295 PolarHBondContact O-N 3.07Å; R292-Y295 VanDerWaalsContact O-N 3.09Å; R292-D296 WeakPolarHBondContact CD-OD2 3.47Å; R292-D296 WeakPolarHBondContact CG-OD2 3.11Å; R292-D296 IonicContact CZ-OD1 2.96Å; R292-D296 IonicContact CZ-OD2 2.88Å; R292-D296 VanDerWaalsContact NE-CG 3.3Å; R292-D296 IonicContact NE-OD1 2.86Å; R292-D296 PolarHBondContact NE-OD1 2.77Å; R292-D296 IonicContact NE-OD2 3.67Å; R292-D296 PolarHBondContact NE-OD2 3.25Å; R292-D296 IonicContact NH2-OD1 3.53Å; R292-D296 PolarHBondContact NH2-OD1 2.81Å; R292-D296 IonicContact NH2-OD2 2.72Å; R292-D296 PolarHBondContact O-N 3.3Å; R292-F331 HydrophobicContact CB-CE1 4.38Å; R292-F331 HydrophobicContact CB-CZ 4.08Å
293L93.6Very high91.3Very high0 Ų031 Ų310%016%0.164CC..Hα-helixtrans-52.7-50.6173.7168.655.4000111L238 T239 A242 I271 L275 L282 V289 A290 Y295 D296 I297L238-L293 HydrophobicContact CB-CD1 4.4Å; L238-L293 HydrophobicContact CB-CD2 4.21Å; T239-L293 HydrophobicContact CG2-CB 4.12Å; A242-L293 HydrophobicContact CB-CD1 3.45Å; A242-L293 VanDerWaalsContact CB-CD1 3.45Å; I271-L293 HydrophobicContact CG2-CD1 4.18Å; L275-L293 HydrophobicContact CD1-CD1 4.39Å; L275-L293 HydrophobicContact CD1-CD2 3.93Å; L275-L293 HydrophobicContact CD1-CG 4Å; L275-L293 HydrophobicContact CD2-CD2 4.02Å; L282-L293 HydrophobicContact CD2-CD2 4.02Å; V289-L293 PolarHBondContact O-N 3.02Å; A290-L293 PolarHBondContact O-N 2.73Å; L293-Y295 VanDerWaalsContact C-N 3.29Å; L293-Y295 PolarHBondContact O-N 3.17Å; L293-D296 PolarHBondContact O-N 3.28Å; L293-I297 HydrophobicContact CD1-CD1 4.47Å; L293-I297 HydrophobicContact CD1-CG2 4.27Å; L293-I297 WeakPolarHBondContact O-CG1 3.33Å; L293-I297 PolarHBondContact O-N 3.28Å
294L95Very high91.6Very high2 Ų233.9 Ų33.91%0.0118%0.175CC..Hα-helixtrans-58.5-41.2177.8179.561000112.4A290 I291 R292 H298 L301 L309 F310 I313 L339A290-L294 PolarHBondContact O-N 3.3Å; I291-L294 PolarHBondContact O-N 3.24Å; R292-L294 VanDerWaalsContact C-N 3.31Å; R292-L294 PolarHBondContact O-N 3.39Å; L294-H298 PolarHBondContact O-N 3.36Å; L294-L301 HydrophobicContact CD1-CD1 3.37Å; L294-L309 HydrophobicContact CD1-CB 3.85Å; L294-L309 HydrophobicContact CD1-CD1 3.78Å; L294-L309 HydrophobicContact CD1-CG 4.47Å; L294-L309 HydrophobicContact CD2-CB 4.35Å; L294-F310 HydrophobicContact CD2-CB 3.81Å; L294-F310 HydrophobicContact CD2-CD2 4.2Å; L294-I313 HydrophobicContact CB-CD1 4.33Å; L294-I313 HydrophobicContact CD2-CD1 4.16Å; L294-L339 HydrophobicContact CD2-CD1 3.73Å; L294-L339 HydrophobicContact CG-CD1 3.88Å; L294-L339 HydrophobicContact CG-CD2 4.38Å
295Y92.3Very high91.9Very high47 Ų4732.9 Ų32.918%0.18416%0.161CC..Hα-helixtrans-65.8-45.5175.2176.3-103.1000112.3I291 R292 L293 I297 H298 H335 K338 L339I291-Y295 WeakPolarHBondContact O-CB 3.32Å; I291-Y295 PolarHBondContact O-N 3.42Å; R292-Y295 CarbonylContact O-C 3.56Å; R292-Y295 WeakPolarHBondContact O-CA 3.31Å; R292-Y295 WeakPolarHBondContact O-CB 3.41Å; R292-Y295 PolarHBondContact O-N 3.07Å; R292-Y295 VanDerWaalsContact O-N 3.09Å; L293-Y295 VanDerWaalsContact C-N 3.29Å; L293-Y295 PolarHBondContact O-N 3.17Å; Y295-I297 PolarHBondContact O-N 3.17Å; Y295-H298 VanDerWaalsContact O-CB 3.3Å; Y295-H298 WeakPolarHBondContact O-CB 3.4Å; Y295-H298 VanDerWaalsContact O-CG 3.31Å; Y295-H298 PolarHBondContact O-N 2.72Å; Y295-H298 VanDerWaalsContact O-N 3.09Å; Y295-H298 PolarHBondContact O-ND1 3.05Å; Y295-H335 AromaticContact CD1-CD2 3.98Å; Y295-H335 AromaticContact CG-CD2 3.7Å; Y295-K338 HydrophobicContact CD2-CB 4.01Å; Y295-K338 HydrophobicContact CD2-CD 4.41Å; Y295-K338 HydrophobicContact CE2-CB 3.64Å; Y295-K338 HydrophobicContact CE2-CD 3.71Å; Y295-K338 HydrophobicContact CE2-CG 4.26Å; Y295-L339 HydrophobicContact CD2-CD2 4.44Å; Y295-L339 HydrophobicContact CD2-CG 4.49Å
296D91.9Very high92.2Very high0 Ų033.5 Ų33.50%016%0.163CC..Hα-helixtrans-68.3-23.5-175.6-76.5-27.2000113.4A242 H243 S246 R292 L293 W299A242-D296 HydrophobicContact CB-CB 3.85Å; H243-D296 WeakPolarHBondContact CA-OD2 3.37Å; H243-D296 IonicContact ND1-OD2 3.62Å; S246-D296 WeakPolarHBondContact CB-O 3.45Å; S246-D296 PolarHBondContact OG-OD1 3.12Å; R292-D296 WeakPolarHBondContact CD-OD2 3.47Å; R292-D296 WeakPolarHBondContact CG-OD2 3.11Å; R292-D296 IonicContact CZ-OD1 2.96Å; R292-D296 IonicContact CZ-OD2 2.88Å; R292-D296 VanDerWaalsContact NE-CG 3.3Å; R292-D296 IonicContact NE-OD1 2.86Å; R292-D296 PolarHBondContact NE-OD1 2.77Å; R292-D296 IonicContact NE-OD2 3.67Å; R292-D296 PolarHBondContact NE-OD2 3.25Å; R292-D296 IonicContact NH2-OD1 3.53Å; R292-D296 PolarHBondContact NH2-OD1 2.81Å; R292-D296 IonicContact NH2-OD2 2.72Å; R292-D296 PolarHBondContact O-N 3.3Å; L293-D296 PolarHBondContact O-N 3.28Å; D296-W299 PolarHBondContact O-NE1 3.3Å
297I93.7Very high92.4Very high0 Ų033.4 Ų33.40%016%0.163CC..THydrogen-bonded Turntrans-103.110.1173.373178.7000113.9A242 I271 L275 L293 Y295 W299 A300 L301A242-I297 HydrophobicContact CB-CG2 3.48Å; A242-I297 VanDerWaalsContact CB-CG2 3.48Å; I271-I297 HydrophobicContact CD1-CG2 4.47Å; I271-I297 HydrophobicContact CG2-CD1 3.84Å; I271-I297 HydrophobicContact CG2-CG2 4.16Å; L275-I297 HydrophobicContact CD1-CD1 3.55Å; L293-I297 HydrophobicContact CD1-CD1 4.47Å; L293-I297 HydrophobicContact CD1-CG2 4.27Å; L293-I297 WeakPolarHBondContact O-CG1 3.33Å; L293-I297 PolarHBondContact O-N 3.28Å; Y295-I297 PolarHBondContact O-N 3.17Å; I297-W299 PolarHBondContact O-N 3.35Å; I297-A300 WeakPolarHBondContact O-CB 3.4Å; I297-A300 PolarHBondContact O-N 3.48Å; I297-L301 HydrophobicContact CD1-CD1 4.05Å; I297-L301 HydrophobicContact CD1-CG 4.48Å; I297-L301 HydrophobicContact CG1-CD1 3.79Å; I297-L301 HydrophobicContact CG1-CG 4.3Å
298H92.2Very high92.6Very high62 Ų6237.8 Ų37.829%0.28719%0.186SC..G310 helixtrans-57.2-21.9-17274.7-85.4000114.4L294 Y295 K306 L339L294-H298 PolarHBondContact O-N 3.36Å; Y295-H298 VanDerWaalsContact O-CB 3.3Å; Y295-H298 WeakPolarHBondContact O-CB 3.4Å; Y295-H298 VanDerWaalsContact O-CG 3.31Å; Y295-H298 PolarHBondContact O-N 2.72Å; Y295-H298 VanDerWaalsContact O-N 3.09Å; Y295-H298 PolarHBondContact O-ND1 3.05Å; H298-K306 HydrophobicContact CB-CD 4.37Å; H298-K306 VanDerWaalsContact O-CE 3.3Å; H298-K306 WeakPolarHBondContact O-CE 3.41Å; H298-K306 PolarHBondContact O-NZ 2.67Å; H298-L339 HydrophobicContact CB-CD2 3.66Å
299W90.6Very high92.8Very high72 Ų7237.7 Ų37.727%0.27319%0.185SC..G310 helixtrans-76.5-22.9177.455.3-93.7000112.9L245 K249 I264 D296 I297 L301L245-W299 HydrophobicContact CB-CZ2 4.18Å; K249-W299 HydrophobicContact CD-CD2 4.48Å; K249-W299 VanDerWaalsContact CE-CZ3 3.43Å; K249-W299 HydrophobicContact CG-CD2 4.01Å; K249-W299 HydrophobicContact CG-CE3 4.49Å; K249-W299 HydrophobicContact CG-CG 4.42Å; K249-W299 HydrophobicContact CG-CH2 4.45Å; K249-W299 HydrophobicContact CG-CZ2 3.98Å; I264-W299 HydrophobicContact CG2-CH2 4.15Å; I264-W299 WeakPolarHBondContact O-CH2 3.4Å; D296-W299 PolarHBondContact O-NE1 3.3Å; I297-W299 PolarHBondContact O-N 3.35Å; W299-L301 VanDerWaalsContact C-N 3.32Å
300A93.3Very high93Very high23 Ų2337 Ų3719%0.1918%0.181CC..G310 helixtrans-89.71.6174.400000112.7I297I297-A300 WeakPolarHBondContact O-CB 3.4Å; I297-A300 PolarHBondContact O-N 3.48Å
301L94.4Very high92.9Very high11 Ų1140.3 Ų40.36%0.05820%0.196CC..SBendtrans-118.8134.9-174.9-63.3171000111.4A272 L294 I297 W299 Q305 K306 L309A272-L301 HydrophobicContact CB-CD2 3.5Å; A272-L301 HydrophobicContact CB-CG 4.41Å; L294-L301 HydrophobicContact CD1-CD1 3.37Å; I297-L301 HydrophobicContact CD1-CD1 4.05Å; I297-L301 HydrophobicContact CD1-CG 4.48Å; I297-L301 HydrophobicContact CG1-CD1 3.79Å; I297-L301 HydrophobicContact CG1-CG 4.3Å; W299-L301 VanDerWaalsContact C-N 3.32Å; L301-Q305 HydrophobicContact CB-CB 4.39Å; L301-Q305 HydrophobicContact CD2-CB 4.02Å; L301-K306 HydrophobicContact CB-CD 4.44Å; L301-K306 HydrophobicContact CB-CG 3.65Å; L301-K306 HydrophobicContact CD1-CG 4.01Å; L301-K306 WeakPolarHBondContact O-CE 3.32Å; L301-L309 HydrophobicContact CD1-CD1 3.99Å; L301-L309 HydrophobicContact CD2-CD1 4.08Å
302S93.1Very high92.8Very high59 Ų5941 Ų4141%0.41320%0.201SC..  trans-65.7161.7162.166.60000111.2N304 Q305 K306S302-N304 VanDerWaalsContact C-N 3.34Å; S302-N304 PolarHBondContact O-N 3.39Å; S302-Q305 PolarHBondContact O-N 2.86Å; S302-Q305 VanDerWaalsContact OG-CG 3.23Å; S302-Q305 WeakPolarHBondContact OG-CG 3.42Å; S302-Q305 PolarHBondContact OG-N 2.8Å; S302-Q305 PolarHBondContact OG-OE1 3.26Å; S302-K306 WeakPolarHBondContact O-CG 3.47Å; S302-K306 PolarHBondContact O-N 2.95Å; S302-K306 VanDerWaalsContact O-N 3.08Å
303Y90.2Very high92.8Very high120 Ų12039.4 Ų39.447%0.47120%0.195SC..Hα-helixtrans-55.8-47177.8-178.5-104000112.6Q305 K306 V307 M340Y303-Q305 VanDerWaalsContact C-N 3.33Å; Y303-Q305 PolarHBondContact O-N 2.81Å; Y303-K306 WeakPolarHBondContact O-CB 3.37Å; Y303-K306 PolarHBondContact O-N 3.3Å; Y303-K306 VanDerWaalsContact O-N 3.15Å; Y303-V307 HydrophobicContact CD1-CG2 4.28Å; Y303-V307 HydrophobicContact CE1-CG2 3.85Å; Y303-V307 HydrophobicContact CE2-CG2 4.37Å; Y303-V307 WeakPolarHBondContact O-CG2 3.47Å; Y303-V307 PolarHBondContact O-N 3.39Å; Y303-M340 HydrophobicContact CE2-CB 4.31Å; Y303-M340 WeakPolarHBondContact CE2-O 3.34Å; Y303-M340 PolarHBondContact OH-O 3.29Å
304N92.6Very high92.7Very high116 Ų11640 Ų4062%0.6220%0.198SC*.Hα-helixtrans-61.5-40.7-179.6-67.1-8.3000112.1S302 V307 I308S302-N304 VanDerWaalsContact C-N 3.34Å; S302-N304 PolarHBondContact O-N 3.39Å; N304-V307 PolarHBondContact O-N 2.87Å; N304-I308 WeakPolarHBondContact O-CG1 3.43Å; N304-I308 PolarHBondContact O-N 3.36Å
305Q94.8Very high92.3Very high63 Ų6343.6 Ų43.629%0.29422%0.217SC..Hα-helixtrans-64.7-39.7176.4-71.4163.8-35.500111.9L276 L301 S302 Y303 V307 I308 L309L276-Q305 HydrophobicContact CD1-CB 4.24Å; L276-Q305 HydrophobicContact CD1-CG 3.73Å; L276-Q305 HydrophobicContact CD2-CB 4.15Å; L276-Q305 HydrophobicContact CD2-CG 4.12Å; L301-Q305 HydrophobicContact CB-CB 4.39Å; L301-Q305 HydrophobicContact CD2-CB 4.02Å; S302-Q305 PolarHBondContact O-N 2.86Å; S302-Q305 VanDerWaalsContact OG-CG 3.23Å; S302-Q305 WeakPolarHBondContact OG-CG 3.42Å; S302-Q305 PolarHBondContact OG-N 2.8Å; S302-Q305 PolarHBondContact OG-OE1 3.26Å; Y303-Q305 VanDerWaalsContact C-N 3.33Å; Y303-Q305 PolarHBondContact O-N 2.81Å; Q305-V307 VanDerWaalsContact C-N 3.33Å; Q305-V307 PolarHBondContact O-N 3.05Å; Q305-I308 PolarHBondContact O-N 3.46Å; Q305-L309 WeakPolarHBondContact O-CG 3.38Å; Q305-L309 PolarHBondContact O-N 3.26Å
306K93.8Very high92Very high35 Ų3542.9 Ų42.915%0.15222%0.216CC..Hα-helixtrans-60.1-44.4174.3-64.5176.8-129.6-159.60111.3H298 L301 S302 Y303 F310 L339 I341H298-K306 HydrophobicContact CB-CD 4.37Å; H298-K306 VanDerWaalsContact O-CE 3.3Å; H298-K306 WeakPolarHBondContact O-CE 3.41Å; H298-K306 PolarHBondContact O-NZ 2.67Å; L301-K306 HydrophobicContact CB-CD 4.44Å; L301-K306 HydrophobicContact CB-CG 3.65Å; L301-K306 HydrophobicContact CD1-CG 4.01Å; L301-K306 WeakPolarHBondContact O-CE 3.32Å; S302-K306 WeakPolarHBondContact O-CG 3.47Å; S302-K306 PolarHBondContact O-N 2.95Å; S302-K306 VanDerWaalsContact O-N 3.08Å; Y303-K306 WeakPolarHBondContact O-CB 3.37Å; Y303-K306 PolarHBondContact O-N 3.3Å; Y303-K306 VanDerWaalsContact O-N 3.15Å; K306-F310 WeakPolarHBondContact O-CB 3.24Å; K306-F310 PolarHBondContact O-N 3.07Å; K306-L339 HydrophobicContact CD-CD2 4.14Å; K306-I341 HydrophobicContact CB-CD1 4.04Å
307V92.1Very high91.6Very high39 Ų3943 Ų4324%0.23622%0.217CC..Hα-helixtrans-61.2-47.4177.6174.40000111.1Y303 N304 Q305 L309 F310 E311 I341Y303-V307 HydrophobicContact CD1-CG2 4.28Å; Y303-V307 HydrophobicContact CE1-CG2 3.85Å; Y303-V307 HydrophobicContact CE2-CG2 4.37Å; Y303-V307 WeakPolarHBondContact O-CG2 3.47Å; Y303-V307 PolarHBondContact O-N 3.39Å; N304-V307 PolarHBondContact O-N 2.87Å; Q305-V307 VanDerWaalsContact C-N 3.33Å; Q305-V307 PolarHBondContact O-N 3.05Å; V307-L309 PolarHBondContact O-N 3.12Å; V307-F310 PolarHBondContact O-N 3.44Å; V307-E311 HydrophobicContact CG1-CG 4.49Å; V307-E311 WeakPolarHBondContact O-CG 3.35Å; V307-E311 PolarHBondContact O-N 2.94Å; V307-I341 HydrophobicContact CG2-CG1 4.43Å
308I93.2Very high91Very high92 Ų9244.6 Ų44.647%0.47223%0.227SC..Hα-helixtrans-59.3-48.4179.5-69.1165000111.7N304 Q305 E311 S312N304-I308 WeakPolarHBondContact O-CG1 3.43Å; N304-I308 PolarHBondContact O-N 3.36Å; Q305-I308 PolarHBondContact O-N 3.46Å; I308-E311 PolarHBondContact O-N 3.43Å; I308-S312 PolarHBondContact O-N 3.12Å
309L95.1Very high90.3Very high1 Ų148.6 Ų48.61%0.00525%0.249CC..Hα-helixtrans-67.1-41.5179.8-65.8176.5000111.3L275 L276 L282 L294 L301 Q305 V307 E311 S312 I313L275-L309 HydrophobicContact CB-CD1 4.16Å; L275-L309 HydrophobicContact CB-CD2 3.93Å; L275-L309 HydrophobicContact CD1-CD1 4.43Å; L276-L309 HydrophobicContact CD2-CD1 4.24Å; L276-L309 HydrophobicContact CD2-CD2 3.87Å; L276-L309 HydrophobicContact CD2-CG 3.89Å; L276-L309 HydrophobicContact CG-CD1 4.45Å; L276-L309 HydrophobicContact CG-CD2 4.31Å; L282-L309 HydrophobicContact CD1-CB 4.31Å; L282-L309 HydrophobicContact CD1-CD2 4.04Å; L294-L309 HydrophobicContact CD1-CB 3.85Å; L294-L309 HydrophobicContact CD1-CD1 3.78Å; L294-L309 HydrophobicContact CD1-CG 4.47Å; L294-L309 HydrophobicContact CD2-CB 4.35Å; L301-L309 HydrophobicContact CD1-CD1 3.99Å; L301-L309 HydrophobicContact CD2-CD1 4.08Å; Q305-L309 WeakPolarHBondContact O-CG 3.38Å; Q305-L309 PolarHBondContact O-N 3.26Å; V307-L309 PolarHBondContact O-N 3.12Å; L309-E311 VanDerWaalsContact C-N 3.34Å; L309-E311 PolarHBondContact O-N 3.05Å; L309-S312 WeakPolarHBondContact O-CB 3.46Å; L309-S312 PolarHBondContact O-N 3.37Å; L309-S312 VanDerWaalsContact O-N 3.16Å; L309-I313 WeakPolarHBondContact O-CG1 3.38Å; L309-I313 PolarHBondContact O-N 3.15Å
310F93.8Very high89.8Confident0 Ų048 Ų480%025%0.251CS..Hα-helixtrans-63.1-37.6176.9-175.1-89.9000112.6L294 K306 V307 S312 I313 Y314 L332 S336 L339 I341 K343 L346L294-F310 HydrophobicContact CD2-CB 3.81Å; L294-F310 HydrophobicContact CD2-CD2 4.2Å; K306-F310 WeakPolarHBondContact O-CB 3.24Å; K306-F310 PolarHBondContact O-N 3.07Å; V307-F310 PolarHBondContact O-N 3.44Å; F310-S312 VanDerWaalsContact C-N 3.33Å; F310-S312 PolarHBondContact O-N 2.9Å; F310-I313 PolarHBondContact O-N 2.97Å; F310-Y314 VanDerWaalsContact O-CB 3.23Å; F310-Y314 WeakPolarHBondContact O-CB 3.31Å; F310-Y314 PolarHBondContact O-N 3.37Å; F310-L332 HydrophobicContact CE2-CD1 3.63Å; F310-L332 HydrophobicContact CZ-CD1 3.59Å; F310-S336 WeakPolarHBondContact CE2-OG 3.28Å; F310-S336 WeakPolarHBondContact CZ-OG 3.22Å; F310-L339 HydrophobicContact CD2-CD1 4.43Å; F310-I341 HydrophobicContact CB-CD1 3.5Å; F310-I341 HydrophobicContact CD1-CB 4.5Å; F310-I341 HydrophobicContact CD1-CD1 4.33Å; F310-I341 HydrophobicContact CD1-CG2 3.59Å; F310-I341 HydrophobicContact CD2-CD1 3.97Å; F310-I341 HydrophobicContact CE1-CG2 3.87Å; F310-I341 HydrophobicContact CG-CD1 3.68Å; F310-I341 HydrophobicContact CG-CG2 4.02Å; F310-K343 HydrophobicContact CE1-CD 4.28Å; F310-L346 HydrophobicContact CZ-CD2 4.45Å
311E91.4Very high88.7Confident69 Ų6953 Ų5332%0.32227%0.271SS..Hα-helixtrans-56.8-44.9171.2-76.6-68.1162.600112V307 I308 L309 I313 Y314 N315 K343V307-E311 HydrophobicContact CG1-CG 4.49Å; V307-E311 WeakPolarHBondContact O-CG 3.35Å; V307-E311 PolarHBondContact O-N 2.94Å; I308-E311 PolarHBondContact O-N 3.43Å; L309-E311 VanDerWaalsContact C-N 3.34Å; L309-E311 PolarHBondContact O-N 3.05Å; E311-I313 VanDerWaalsContact C-N 3.34Å; E311-I313 PolarHBondContact O-N 2.87Å; E311-Y314 PolarHBondContact O-N 3.44Å; E311-N315 WeakPolarHBondContact O-CB 3.32Å; E311-N315 PolarHBondContact O-N 3.25Å; E311-N315 PolarHBondContact O-ND2 2.85Å; E311-K343 VanDerWaalsContact CD-CE 3.48Å; E311-K343 WeakPolarHBondContact OE1-CE 3.48Å; E311-K343 IonicContact OE1-NZ 2.7Å; E311-K343 PolarHBondContact OE1-NZ 3.15Å; E311-K343 IonicContact OE2-NZ 3.06Å; E311-K343 PolarHBondContact OE2-NZ 3.38Å
312S90.8Very high87.9Confident16 Ų1656.5 Ų56.511%0.11229%0.293CS..Hα-helixtrans-58.9-46.7178.1-158.40000111.5K279 I308 L309 F310 N316K279-S312 PolarHBondContact O-OG 3.29Å; I308-S312 PolarHBondContact O-N 3.12Å; L309-S312 WeakPolarHBondContact O-CB 3.46Å; L309-S312 PolarHBondContact O-N 3.37Å; L309-S312 VanDerWaalsContact O-N 3.16Å; F310-S312 VanDerWaalsContact C-N 3.33Å; F310-S312 PolarHBondContact O-N 2.9Å; S312-N316 PolarHBondContact O-N 3Å; S312-N316 VanDerWaalsContact O-N 3.17Å
313I91.7Very high87.2Confident1 Ų155.2 Ų55.21%0.00528%0.28CS..Hα-helixtrans-68.1-45.4-179.8-55.9163.7000111.3L282 P287 A290 I291 L294 L309 F310 E311 N315 N316 F317L282-I313 HydrophobicContact CB-CG1 4.08Å; L282-I313 HydrophobicContact CD1-CD1 4.13Å; L282-I313 HydrophobicContact CD1-CG1 3.88Å; L282-I313 HydrophobicContact CG-CG1 4.43Å; P287-I313 HydrophobicContact CB-CG2 3.97Å; A290-I313 HydrophobicContact CB-CD1 3.84Å; A290-I313 HydrophobicContact CB-CG1 3.83Å; A290-I313 HydrophobicContact CB-CG2 3.97Å; I291-I313 HydrophobicContact CD1-CG2 4.28Å; I291-I313 HydrophobicContact CG1-CD1 4.46Å; I291-I313 HydrophobicContact CG1-CG2 3.79Å; L294-I313 HydrophobicContact CB-CD1 4.33Å; L294-I313 HydrophobicContact CD2-CD1 4.16Å; L309-I313 WeakPolarHBondContact O-CG1 3.38Å; L309-I313 PolarHBondContact O-N 3.15Å; F310-I313 PolarHBondContact O-N 2.97Å; E311-I313 VanDerWaalsContact C-N 3.34Å; E311-I313 PolarHBondContact O-N 2.87Å; I313-N315 VanDerWaalsContact C-N 3.35Å; I313-N315 PolarHBondContact O-N 3.45Å; I313-N316 PolarHBondContact O-N 3.35Å; I313-F317 WeakPolarHBondContact O-CB 3.38Å; I313-F317 PolarHBondContact O-N 3.2Å
314Y90.3Very high86.9Confident13 Ų1350.7 Ų50.75%0.05126%0.262CS..Hα-helixtrans-60.1-44.8179173.2-103.9000111.4F310 E311 F317 T318 S345 L346 S349F310-Y314 VanDerWaalsContact O-CB 3.23Å; F310-Y314 WeakPolarHBondContact O-CB 3.31Å; F310-Y314 PolarHBondContact O-N 3.37Å; E311-Y314 PolarHBondContact O-N 3.44Å; Y314-F317 WeakPolarHBondContact O-CB 3.47Å; Y314-F317 PolarHBondContact O-N 3.42Å; Y314-T318 HydrophobicContact CD1-CG2 4.28Å; Y314-T318 HydrophobicContact CD2-CG2 4.19Å; Y314-T318 HydrophobicContact CE1-CG2 3.76Å; Y314-T318 HydrophobicContact CE2-CG2 3.67Å; Y314-T318 HydrophobicContact CG-CG2 4.47Å; Y314-T318 VanDerWaalsContact CZ-CG2 3.43Å; Y314-T318 WeakPolarHBondContact O-CG2 3.4Å; Y314-T318 PolarHBondContact O-N 3.1Å; Y314-T318 PolarHBondContact O-OG1 3.44Å; Y314-S345 VanDerWaalsContact OH-CB 3.29Å; Y314-S345 WeakPolarHBondContact OH-CB 2.76Å; Y314-S345 PolarHBondContact OH-O 2.94Å; Y314-S345 VanDerWaalsContact OH-O 3.08Å; Y314-S345 PolarHBondContact OH-OG 2.96Å; Y314-L346 HydrophobicContact CD2-CD1 4.28Å; Y314-L346 HydrophobicContact CE2-CB 3.99Å; Y314-L346 HydrophobicContact CE2-CD1 3.85Å; Y314-L346 HydrophobicContact CE2-CG 4.5Å; Y314-L346 PolarHBondContact OH-N 3.03Å; Y314-S349 PolarHBondContact OH-OG 3.17Å
315N88.2Confident86.8Confident77 Ų7746.5 Ų46.541%0.41224%0.239SC..Hα-helixtrans-62-46.9178.4-70.9-22.1000111.1E311 I313 F317 T318 L319E311-N315 WeakPolarHBondContact O-CB 3.32Å; E311-N315 PolarHBondContact O-N 3.25Å; E311-N315 PolarHBondContact O-ND2 2.85Å; I313-N315 VanDerWaalsContact C-N 3.35Å; I313-N315 PolarHBondContact O-N 3.45Å; N315-F317 VanDerWaalsContact C-N 3.33Å; N315-F317 PolarHBondContact O-N 3.28Å; N315-T318 WeakPolarHBondContact CA-OG1 3.37Å; N315-T318 PolarHBondContact O-N 2.76Å; N315-T318 PolarHBondContact O-OG1 3.39Å; N315-L319 VanDerWaalsContact O-CG 3.31Å; N315-L319 WeakPolarHBondContact O-CG 3.35Å; N315-L319 PolarHBondContact O-N 3.1Å; N315-L319 VanDerWaalsContact O-N 3.07Å
316N84.4Confident86.7Confident32 Ų3243.7 Ų43.717%0.17123%0.226CC..Hα-helixtrans-57.5-46.5174.1-174.924.9000112.1C283 S312 I313 T318 L319 N320C283-N316 VanDerWaalsContact CA-ND2 3.32Å; C283-N316 WeakPolarHBondContact CA-ND2 2.86Å; C283-N316 HydrophobicContact CB-CB 4.5Å; S312-N316 PolarHBondContact O-N 3Å; S312-N316 VanDerWaalsContact O-N 3.17Å; I313-N316 PolarHBondContact O-N 3.35Å; N316-T318 VanDerWaalsContact C-N 3.34Å; N316-T318 PolarHBondContact O-N 3.33Å; N316-L319 PolarHBondContact O-N 3.35Å; N316-N320 PolarHBondContact O-N 3.11Å; N316-N320 VanDerWaalsContact O-N 3.13Å
317F83.9Confident86.7Confident1 Ų142 Ų420%0.00422%0.219CC..Hα-helixtrans-59.5-43177.4-172.1-109.1000111.8P287 I313 Y314 N315 L319 N320 Q323 W324 T328 V329 L332P287-F317 HydrophobicContact CB-CB 4.11Å; P287-F317 HydrophobicContact CB-CD2 3.63Å; P287-F317 HydrophobicContact CB-CE2 4.47Å; P287-F317 HydrophobicContact CB-CG 4.25Å; P287-F317 HydrophobicContact CG-CB 4.1Å; P287-F317 HydrophobicContact CG-CD2 3.76Å; P287-F317 HydrophobicContact CG-CG 4.42Å; I313-F317 WeakPolarHBondContact O-CB 3.38Å; I313-F317 PolarHBondContact O-N 3.2Å; Y314-F317 WeakPolarHBondContact O-CB 3.47Å; Y314-F317 PolarHBondContact O-N 3.42Å; N315-F317 VanDerWaalsContact C-N 3.33Å; N315-F317 PolarHBondContact O-N 3.28Å; F317-L319 VanDerWaalsContact C-N 3.34Å; F317-L319 PolarHBondContact O-N 2.96Å; F317-N320 PolarHBondContact O-N 3.46Å; F317-Q323 HydrophobicContact CD2-CB 4.04Å; F317-Q323 HydrophobicContact CE2-CB 3.9Å; F317-Q323 WeakPolarHBondContact CE2-O 3.42Å; F317-W324 HydrophobicContact CD1-CD2 4.05Å; F317-W324 AromaticContact CD1-CE2 3.33Å; F317-W324 AromaticContact CD1-CH2 3.93Å; F317-W324 HydrophobicContact CD1-CH2 3.93Å; F317-W324 AromaticContact CD1-CZ2 3.27Å; F317-W324 HydrophobicContact CD1-CZ2 3.27Å; F317-W324 AromaticContact CD1-NE1 3.5Å; F317-W324 AromaticContact CE1-CD1 3.97Å; F317-W324 AromaticContact CE1-CD2 3.37Å; F317-W324 HydrophobicContact CE1-CD2 3.37Å; F317-W324 AromaticContact CE1-CE2 3.16Å; F317-W324 AromaticContact CE1-CE3 3.72Å; F317-W324 HydrophobicContact CE1-CE3 3.72Å; F317-W324 AromaticContact CE1-CG 3.91Å; F317-W324 HydrophobicContact CE1-CG 3.91Å; F317-W324 AromaticContact CE1-CH2 3.67Å; F317-W324 HydrophobicContact CE1-CH2 3.67Å; F317-W324 AromaticContact CE1-CZ2 3.34Å; F317-W324 HydrophobicContact CE1-CZ2 3.34Å; F317-W324 AromaticContact CE1-CZ3 3.87Å; F317-W324 HydrophobicContact CE1-CZ3 3.87Å; F317-W324 AromaticContact CE1-NE1 3.57Å; F317-W324 HydrophobicContact CG-CZ2 4.44Å; F317-W324 AromaticContact CZ-CD2 3.88Å; F317-W324 HydrophobicContact CZ-CD2 3.88Å; F317-W324 HydrophobicContact CZ-CE3 4.32Å; F317-W324 AromaticContact CZ-CG 3.98Å; F317-W324 HydrophobicContact CZ-CG 3.98Å; F317-W324 PolarHBondContact O-NE1 3.2Å; F317-T328 HydrophobicContact CE2-CG2 4.45Å; F317-V329 HydrophobicContact CE1-CG2 4.48Å; F317-V329 HydrophobicContact CZ-CG2 4.32Å; F317-L332 HydrophobicContact CD1-CD2 3.7Å; F317-L332 HydrophobicContact CE1-CD2 3.69Å; F317-L332 HydrophobicContact CZ-CD2 4.49Å
318T81.8Confident86.7Confident35 Ų3540.2 Ų40.222%0.21521%0.209CC..Hα-helixtrans-63.8-37.2177.855.60000113.3Y314 N315 N316 N320 W324Y314-T318 HydrophobicContact CD1-CG2 4.28Å; Y314-T318 HydrophobicContact CD2-CG2 4.19Å; Y314-T318 HydrophobicContact CE1-CG2 3.76Å; Y314-T318 HydrophobicContact CE2-CG2 3.67Å; Y314-T318 HydrophobicContact CG-CG2 4.47Å; Y314-T318 VanDerWaalsContact CZ-CG2 3.43Å; Y314-T318 WeakPolarHBondContact O-CG2 3.4Å; Y314-T318 PolarHBondContact O-N 3.1Å; Y314-T318 PolarHBondContact O-OG1 3.44Å; N315-T318 WeakPolarHBondContact CA-OG1 3.37Å; N315-T318 PolarHBondContact O-N 2.76Å; N315-T318 PolarHBondContact O-OG1 3.39Å; N316-T318 VanDerWaalsContact C-N 3.34Å; N316-T318 PolarHBondContact O-N 3.33Å; T318-N320 VanDerWaalsContact C-N 3.33Å; T318-W324 HydrophobicContact CG2-CZ2 3.99Å
319L78Confident86.7Confident145 Ų14536.1 Ų36.176%0.75919%0.187SC*.Hα-helixtrans-70.2-29.3178.9-67.2170.2000112.2N315 N316 F317N315-L319 VanDerWaalsContact O-CG 3.31Å; N315-L319 WeakPolarHBondContact O-CG 3.35Å; N315-L319 PolarHBondContact O-N 3.1Å; N315-L319 VanDerWaalsContact O-N 3.07Å; N316-L319 PolarHBondContact O-N 3.35Å; F317-L319 VanDerWaalsContact C-N 3.34Å; F317-L319 PolarHBondContact O-N 2.96Å
320N79.3Confident86.6Confident59 Ų5936 Ų3632%0.31619%0.187SC..  trans-101.687.5-179.9-165.8-20.3000113.1N316 F317 T318 V322 Q323N316-N320 PolarHBondContact O-N 3.11Å; N316-N320 VanDerWaalsContact O-N 3.13Å; F317-N320 PolarHBondContact O-N 3.46Å; T318-N320 VanDerWaalsContact C-N 3.33Å; N320-V322 PolarHBondContact O-N 3.39Å; N320-V322 VanDerWaalsContact O-N 3.1Å; N320-V322 PolarHBondContact OD1-N 2.75Å; N320-Q323 HydrophobicContact CB-CG 4.25Å; N320-Q323 PolarHBondContact ND2-NE2 3.08Å; N320-Q323 PolarHBondContact O-N 3Å; N320-Q323 VanDerWaalsContact O-N 3.1Å
321H71Confident86.6Confident128 Ų12836 Ų3659%0.59319%0.187SC*.G310 helixtrans-60-23.8-178.7-67.9-31.5000115.4Q323 W324H321-Q323 PolarHBondContact O-N 3.34Å; H321-W324 PolarHBondContact O-N 3.13Å
322V76Confident86.7Confident86 Ų8632.8 Ų32.852%0.52117%0.172SC..G310 helixtrans-67.6-27.4179.6-1790000111.1N11 N320 W324N11-V322 PolarHBondContact ND2-O 3.45Å; N320-V322 PolarHBondContact O-N 3.39Å; N320-V322 VanDerWaalsContact O-N 3.1Å; N320-V322 PolarHBondContact OD1-N 2.75Å; V322-W324 VanDerWaalsContact C-N 3.3Å; V322-W324 PolarHBondContact O-N 3.38Å
323Q78.2Confident86.7Confident31 Ų3132 Ų3215%0.14517%0.167CC..G310 helixtrans-79.4-8.6-179.2-66.7174.1-18.200113.3P287 F317 N320 H321 N325 T328P287-Q323 VanDerWaalsContact CD-CD 3.41Å; F317-Q323 HydrophobicContact CD2-CB 4.04Å; F317-Q323 HydrophobicContact CE2-CB 3.9Å; F317-Q323 WeakPolarHBondContact CE2-O 3.42Å; N320-Q323 HydrophobicContact CB-CG 4.25Å; N320-Q323 PolarHBondContact ND2-NE2 3.08Å; N320-Q323 PolarHBondContact O-N 3Å; N320-Q323 VanDerWaalsContact O-N 3.1Å; H321-Q323 PolarHBondContact O-N 3.34Å; Q323-N325 PolarHBondContact O-N 2.85Å; Q323-N325 VanDerWaalsContact O-N 3.12Å; Q323-T328 VanDerWaalsContact O-CB 3.29Å; Q323-T328 WeakPolarHBondContact O-CB 3.23Å; Q323-T328 VanDerWaalsContact O-CG2 3.29Å; Q323-T328 WeakPolarHBondContact O-CG2 3.5Å; Q323-T328 PolarHBondContact O-OG1 3.33Å
324W84.9Confident86.7Confident26 Ų2632 Ų3210%0.09817%0.167CC..  trans-84.681.6179.9-74.371.9000112.2F317 T318 H321 V322 V329 L346 K353F317-W324 HydrophobicContact CD1-CD2 4.05Å; F317-W324 AromaticContact CD1-CE2 3.33Å; F317-W324 AromaticContact CD1-CH2 3.93Å; F317-W324 HydrophobicContact CD1-CH2 3.93Å; F317-W324 AromaticContact CD1-CZ2 3.27Å; F317-W324 HydrophobicContact CD1-CZ2 3.27Å; F317-W324 AromaticContact CD1-NE1 3.5Å; F317-W324 AromaticContact CE1-CD1 3.97Å; F317-W324 AromaticContact CE1-CD2 3.37Å; F317-W324 HydrophobicContact CE1-CD2 3.37Å; F317-W324 AromaticContact CE1-CE2 3.16Å; F317-W324 AromaticContact CE1-CE3 3.72Å; F317-W324 HydrophobicContact CE1-CE3 3.72Å; F317-W324 AromaticContact CE1-CG 3.91Å; F317-W324 HydrophobicContact CE1-CG 3.91Å; F317-W324 AromaticContact CE1-CH2 3.67Å; F317-W324 HydrophobicContact CE1-CH2 3.67Å; F317-W324 AromaticContact CE1-CZ2 3.34Å; F317-W324 HydrophobicContact CE1-CZ2 3.34Å; F317-W324 AromaticContact CE1-CZ3 3.87Å; F317-W324 HydrophobicContact CE1-CZ3 3.87Å; F317-W324 AromaticContact CE1-NE1 3.57Å; F317-W324 HydrophobicContact CG-CZ2 4.44Å; F317-W324 AromaticContact CZ-CD2 3.88Å; F317-W324 HydrophobicContact CZ-CD2 3.88Å; F317-W324 HydrophobicContact CZ-CE3 4.32Å; F317-W324 AromaticContact CZ-CG 3.98Å; F317-W324 HydrophobicContact CZ-CG 3.98Å; F317-W324 PolarHBondContact O-NE1 3.2Å; T318-W324 HydrophobicContact CG2-CZ2 3.99Å; H321-W324 PolarHBondContact O-N 3.13Å; V322-W324 VanDerWaalsContact C-N 3.3Å; V322-W324 PolarHBondContact O-N 3.38Å; W324-V329 HydrophobicContact CD2-CG2 4.4Å; W324-V329 HydrophobicContact CE3-CG2 3.52Å; W324-V329 HydrophobicContact CZ3-CG2 3.95Å; W324-L346 HydrophobicContact CH2-CD1 4.38Å; W324-K353 HydrophobicContact CB-CD 4.29Å; W324-K353 VanDerWaalsContact CB-CE 3.45Å; W324-K353 VanDerWaalsContact CB-NZ 3.28Å; W324-K353 HydrophobicContact CE3-CD 4.36Å; W324-K353 HydrophobicContact CE3-CG 3.89Å; W324-K353 VanDerWaalsContact CG-CE 3.47Å; W324-K353 HydrophobicContact CZ3-CG 4.48Å
325N89.3Confident86.8Confident27 Ų2731.4 Ų31.414%0.14416%0.164CC..SBendtrans-111.1176.3169.369.432.8000110.3Y145 Q323 Y327 T328 V329Y145-N325 PolarHBondContact OH-ND2 3.03Å; Q323-N325 PolarHBondContact O-N 2.85Å; Q323-N325 VanDerWaalsContact O-N 3.12Å; N325-Y327 VanDerWaalsContact C-N 3.29Å; N325-Y327 PolarHBondContact O-N 3.23Å; N325-Y327 WeakPolarHBondContact OD1-CB 3.45Å; N325-Y327 PolarHBondContact OD1-N 3.02Å; N325-T328 PolarHBondContact N-OG1 3.4Å; N325-T328 VanDerWaalsContact N-OG1 3.07Å; N325-T328 PolarHBondContact O-OG1 2.91Å; N325-T328 WeakPolarHBondContact OD1-CG2 3.09Å; N325-T328 PolarHBondContact OD1-N 3.31Å; N325-T328 PolarHBondContact OD1-OG1 2.58Å; N325-V329 WeakPolarHBondContact O-CB 3.44Å; N325-V329 VanDerWaalsContact O-CG2 3.28Å; N325-V329 WeakPolarHBondContact O-CG2 3.25Å; N325-V329 PolarHBondContact O-N 3.24Å
326L93Very high86.8Confident4 Ų427.7 Ų27.72%0.02115%0.145CC..Hα-helixtrans-58.2-44.1-178.9172.561.1000111.6W141 P142 Y145 I146 A330 A375 I376W141-L326 HydrophobicContact CZ3-CD2 4.38Å; P142-L326 HydrophobicContact CB-CD2 3.77Å; Y145-L326 HydrophobicContact CD1-CB 4.15Å; Y145-L326 HydrophobicContact CD1-CD2 4.03Å; Y145-L326 HydrophobicContact CD1-CG 4.38Å; Y145-L326 HydrophobicContact CE1-CB 3.89Å; I146-L326 HydrophobicContact CD1-CG 4.36Å; I146-L326 HydrophobicContact CG1-CG 4.43Å; L326-A330 VanDerWaalsContact O-CB 3.3Å; L326-A330 WeakPolarHBondContact O-CB 3.25Å; L326-A330 PolarHBondContact O-N 2.98Å; L326-A375 HydrophobicContact CD1-CB 3.84Å; L326-A375 HydrophobicContact CD2-CB 4.24Å; L326-I376 HydrophobicContact CD1-CD1 3.41Å; L326-I376 VanDerWaalsContact CD1-CD1 3.41Å; L326-I376 HydrophobicContact CD1-CG1 3.88Å
327Y94.6Very high86.9Confident0 Ų026.2 Ų26.20%014%0.136CC..Hα-helixtrans-63.1-51.2-177.8173.9-92.1000111.9I146 E149 H150 K153 W154 T288 N325 V329 A330 F331 L398I146-Y327 HydrophobicContact CB-CD2 4.48Å; I146-Y327 HydrophobicContact CG1-CD2 4.46Å; I146-Y327 HydrophobicContact CG2-CD2 4.19Å; E149-Y327 HydrophobicContact CB-CD1 4.19Å; E149-Y327 HydrophobicContact CB-CD2 3.55Å; E149-Y327 HydrophobicContact CB-CE2 4.12Å; E149-Y327 HydrophobicContact CB-CG 3.57Å; E149-Y327 HydrophobicContact CG-CG 4.32Å; H150-Y327 HydrophobicContact CB-CE2 3.77Å; H150-Y327 AromaticContact ND1-CE2 3.94Å; H150-Y327 PolarHBondContact ND1-OH 3.11Å; K153-Y327 HydrophobicContact CD-CD1 3.84Å; K153-Y327 HydrophobicContact CD-CE1 3.25Å; W154-Y327 PolarHBondContact NE1-OH 2.77Å; T288-Y327 HydrophobicContact CG2-CD1 4.39Å; T288-Y327 HydrophobicContact CG2-CE1 4.02Å; N325-Y327 VanDerWaalsContact C-N 3.29Å; N325-Y327 PolarHBondContact O-N 3.23Å; N325-Y327 WeakPolarHBondContact OD1-CB 3.45Å; N325-Y327 PolarHBondContact OD1-N 3.02Å; Y327-V329 VanDerWaalsContact C-N 3.33Å; Y327-V329 PolarHBondContact O-N 3.37Å; Y327-A330 PolarHBondContact O-N 3.4Å; Y327-F331 HydrophobicContact CE1-CB 4.45Å; Y327-F331 HydrophobicContact CE1-CD2 4.26Å; Y327-F331 AromaticContact CZ-CD2 3.92Å; Y327-F331 WeakPolarHBondContact O-CB 3.47Å; Y327-F331 PolarHBondContact O-N 2.97Å; Y327-L398 HydrophobicContact CE2-CD1 3.91Å
328T92.6Very high87Confident2 Ų227.5 Ų27.51%0.01214%0.142CC..Hα-helixtrans-65.7-36.4-176.856.40000112.2T288 F317 Q323 N325 L332T288-T328 HydrophobicContact CG2-CG2 3.73Å; F317-T328 HydrophobicContact CE2-CG2 4.45Å; Q323-T328 VanDerWaalsContact O-CB 3.29Å; Q323-T328 WeakPolarHBondContact O-CB 3.23Å; Q323-T328 VanDerWaalsContact O-CG2 3.29Å; Q323-T328 WeakPolarHBondContact O-CG2 3.5Å; Q323-T328 PolarHBondContact O-OG1 3.33Å; N325-T328 PolarHBondContact N-OG1 3.4Å; N325-T328 VanDerWaalsContact N-OG1 3.07Å; N325-T328 PolarHBondContact O-OG1 2.91Å; N325-T328 WeakPolarHBondContact OD1-CG2 3.09Å; N325-T328 PolarHBondContact OD1-N 3.31Å; N325-T328 PolarHBondContact OD1-OG1 2.58Å; T328-L332 WeakPolarHBondContact O-CB 3.31Å; T328-L332 PolarHBondContact O-N 3.35Å
329V92.8Very high87.3Confident5 Ų526 Ų263%0.0313%0.133CC..Hα-helixtrans-68.1-48175.5174.40000111F317 W324 N325 Y327 F331 L332 L333 I376F317-V329 HydrophobicContact CE1-CG2 4.48Å; F317-V329 HydrophobicContact CZ-CG2 4.32Å; W324-V329 HydrophobicContact CD2-CG2 4.4Å; W324-V329 HydrophobicContact CE3-CG2 3.52Å; W324-V329 HydrophobicContact CZ3-CG2 3.95Å; N325-V329 WeakPolarHBondContact O-CB 3.44Å; N325-V329 VanDerWaalsContact O-CG2 3.28Å; N325-V329 WeakPolarHBondContact O-CG2 3.25Å; N325-V329 PolarHBondContact O-N 3.24Å; Y327-V329 VanDerWaalsContact C-N 3.33Å; Y327-V329 PolarHBondContact O-N 3.37Å; V329-F331 VanDerWaalsContact C-N 3.32Å; V329-F331 PolarHBondContact O-N 3.47Å; V329-L332 PolarHBondContact O-N 2.84Å; V329-L333 HydrophobicContact CG1-CD1 3.94Å; V329-L333 HydrophobicContact CG1-CG 4.47Å; V329-L333 WeakPolarHBondContact O-CG 3.41Å; V329-L333 PolarHBondContact O-N 3.18Å; V329-I376 HydrophobicContact CB-CD1 4.23Å; V329-I376 HydrophobicContact CG1-CD1 3.93Å
330A93.6Very high87.7Confident0 Ų021.3 Ų21.30%011%0.108CC..Hα-helixtrans-60.7-43.1176.600000111.4I146 L326 Y327 L333 L334 I402I146-A330 HydrophobicContact CD1-CB 4Å; L326-A330 VanDerWaalsContact O-CB 3.3Å; L326-A330 WeakPolarHBondContact O-CB 3.25Å; L326-A330 PolarHBondContact O-N 2.98Å; Y327-A330 PolarHBondContact O-N 3.4Å; A330-L333 PolarHBondContact O-N 3.34Å; A330-L334 WeakPolarHBondContact O-CB 3.48Å; A330-L334 PolarHBondContact O-N 3.17Å; A330-I402 HydrophobicContact CB-CG2 3.78Å
331F93.4Very high88Confident0 Ų018.7 Ų18.70%09%0.093CC..Hα-helixtrans-61.4-46.5177-167.3-81.9000112.2W154 T288 I291 R292 Y327 V329 H335 L398W154-F331 HydrophobicContact CH2-CZ 4.43Å; W154-F331 HydrophobicContact CZ2-CE1 4.44Å; W154-F331 AromaticContact CZ2-CE2 3.88Å; W154-F331 HydrophobicContact CZ2-CE2 3.88Å; W154-F331 AromaticContact CZ2-CZ 3.6Å; W154-F331 HydrophobicContact CZ2-CZ 3.6Å; W154-F331 AromaticContact NE1-CE2 3.9Å; T288-F331 HydrophobicContact CG2-CB 4.18Å; T288-F331 HydrophobicContact CG2-CD1 3.94Å; T288-F331 HydrophobicContact CG2-CG 4.07Å; T288-F331 VanDerWaalsContact O-CE1 3.27Å; T288-F331 WeakPolarHBondContact O-CE1 3.46Å; I291-F331 HydrophobicContact CB-CD1 4.46Å; I291-F331 HydrophobicContact CB-CE1 4.14Å; I291-F331 HydrophobicContact CG2-CD1 4.21Å; I291-F331 HydrophobicContact CG2-CE1 3.96Å; R292-F331 HydrophobicContact CB-CE1 4.38Å; R292-F331 HydrophobicContact CB-CZ 4.08Å; Y327-F331 HydrophobicContact CE1-CB 4.45Å; Y327-F331 HydrophobicContact CE1-CD2 4.26Å; Y327-F331 AromaticContact CZ-CD2 3.92Å; Y327-F331 WeakPolarHBondContact O-CB 3.47Å; Y327-F331 PolarHBondContact O-N 2.97Å; V329-F331 VanDerWaalsContact C-N 3.32Å; V329-F331 PolarHBondContact O-N 3.47Å; F331-H335 AromaticContact CD1-CE1 3.93Å; F331-H335 AromaticContact CD1-ND1 3.55Å; F331-H335 AromaticContact CD2-CE1 3.75Å; F331-H335 AromaticContact CE1-CE1 3.51Å; F331-H335 AromaticContact CE1-CG 3.95Å; F331-H335 AromaticContact CE1-ND1 3.45Å; F331-H335 WeakPolarHBondContact CE1-ND1 3.3Å; F331-H335 AromaticContact CE2-CE1 3.32Å; F331-H335 WeakPolarHBondContact CE2-CE1 3.47Å; F331-H335 AromaticContact CE2-ND1 3.94Å; F331-H335 AromaticContact CG-ND1 3.83Å; F331-H335 AromaticContact CZ-CE1 3.17Å; F331-H335 WeakPolarHBondContact CZ-CE1 3.22Å; F331-H335 AromaticContact CZ-ND1 3.64Å; F331-H335 AromaticContact CZ-NE2 3.6Å; F331-H335 WeakPolarHBondContact O-CB 3.37Å; F331-H335 PolarHBondContact O-N 2.9Å; F331-H335 PolarHBondContact O-ND1 3.4Å; F331-L398 HydrophobicContact CB-CD2 4.17Å; F331-L398 HydrophobicContact CD2-CD1 3.91Å; F331-L398 HydrophobicContact CD2-CD2 4.12Å; F331-L398 HydrophobicContact CE2-CD1 4.46Å
332L92.7Very high88.7Confident1 Ų113.8 Ų13.81%0.0057%0.07CC..Hα-helixtrans-60.3-49.8176.5173.263.5000111.1I291 F310 F317 T328 V329 S336 L346I291-L332 HydrophobicContact CD1-CB 3.97Å; I291-L332 HydrophobicContact CD1-CD1 3.39Å; I291-L332 HydrophobicContact CD1-CG 4.24Å; I291-L332 HydrophobicContact CG1-CD1 4.16Å; F310-L332 HydrophobicContact CE2-CD1 3.63Å; F310-L332 HydrophobicContact CZ-CD1 3.59Å; F317-L332 HydrophobicContact CD1-CD2 3.7Å; F317-L332 HydrophobicContact CE1-CD2 3.69Å; F317-L332 HydrophobicContact CZ-CD2 4.49Å; T328-L332 WeakPolarHBondContact O-CB 3.31Å; T328-L332 PolarHBondContact O-N 3.35Å; V329-L332 PolarHBondContact O-N 2.84Å; L332-S336 WeakPolarHBondContact O-CB 3.23Å; L332-S336 PolarHBondContact O-N 3.43Å; L332-S336 PolarHBondContact O-OG 3.33Å; L332-L346 HydrophobicContact CD2-CD1 3.48Å; L332-L346 VanDerWaalsContact CD2-CD1 3.48Å; L332-L346 HydrophobicContact CD2-CD2 4.43Å; L332-L346 HydrophobicContact CG-CD1 4.1Å; L332-L346 HydrophobicContact CG-CD2 4.2Å
333L92.1Very high89.1Confident0 Ų010.3 Ų10.30%05%0.048CC..Hα-helixtrans-62.8-46.8179.8-71170000112V329 A330 H335 S336 C337 L346 A379 L380 Y383 F401V329-L333 HydrophobicContact CG1-CD1 3.94Å; V329-L333 HydrophobicContact CG1-CG 4.47Å; V329-L333 WeakPolarHBondContact O-CG 3.41Å; V329-L333 PolarHBondContact O-N 3.18Å; A330-L333 PolarHBondContact O-N 3.34Å; L333-H335 PolarHBondContact O-N 3.19Å; L333-S336 WeakPolarHBondContact O-CB 3.18Å; L333-S336 PolarHBondContact O-N 3.45Å; L333-C337 PolarHBondContact O-N 3.42Å; L333-L346 HydrophobicContact CD2-CD1 4.46Å; L333-L346 HydrophobicContact CD2-CD2 3.73Å; L333-L346 HydrophobicContact CD2-CG 3.86Å; L333-A379 HydrophobicContact CD1-CB 3.94Å; L333-L380 HydrophobicContact CD1-CD2 4.12Å; L333-L380 HydrophobicContact CD1-CG 4.4Å; L333-L380 HydrophobicContact CD2-CD2 4.24Å; L333-Y383 HydrophobicContact CB-CD2 4.27Å; L333-Y383 HydrophobicContact CD2-CD1 3.91Å; L333-Y383 HydrophobicContact CD2-CD2 3.82Å; L333-Y383 HydrophobicContact CD2-CE1 4.2Å; L333-Y383 HydrophobicContact CD2-CE2 4.18Å; L333-Y383 HydrophobicContact CD2-CG 3.68Å; L333-F401 HydrophobicContact CB-CE1 3.6Å; L333-F401 HydrophobicContact CB-CZ 4.07Å
334L91.5Very high89.5Confident0 Ų011.5 Ų11.50%06%0.058CC..Hα-helixtrans-57.5-51.8178.4173.763000111.5A330 S336 C337 K338 E397 L398 F401A330-L334 WeakPolarHBondContact O-CB 3.48Å; A330-L334 PolarHBondContact O-N 3.17Å; L334-S336 VanDerWaalsContact C-N 3.32Å; L334-S336 PolarHBondContact O-N 2.87Å; L334-C337 WeakPolarHBondContact O-CB 3.31Å; L334-C337 PolarHBondContact O-N 3.48Å; L334-K338 HydrophobicContact CG-CD 4.49Å; L334-K338 WeakPolarHBondContact O-CG 3.4Å; L334-K338 PolarHBondContact O-N 3.33Å; L334-E397 HydrophobicContact CD2-CB 4.04Å; L334-L398 HydrophobicContact CB-CD2 4.27Å; L334-L398 HydrophobicContact CD2-CD2 3.53Å; L334-L398 HydrophobicContact CD2-CG 3.77Å; L334-F401 HydrophobicContact CB-CD1 3.99Å; L334-F401 HydrophobicContact CB-CD2 4.3Å; L334-F401 HydrophobicContact CB-CE1 4.17Å; L334-F401 HydrophobicContact CB-CE2 4.43Å; L334-F401 HydrophobicContact CB-CG 4.07Å; L334-F401 HydrophobicContact CB-CZ 4.38Å; L334-F401 HydrophobicContact CD1-CB 4.29Å; L334-F401 HydrophobicContact CD1-CD2 3.59Å; L334-F401 HydrophobicContact CD1-CE2 4.04Å; L334-F401 HydrophobicContact CD1-CG 3.96Å
335H90.6Very high89.7Confident0 Ų012.5 Ų12.50%07%0.069CC..Hα-helixtrans-72.5-28.8-177.6-70.979.4000112.1I291 Y295 F331 L333 K338 L339I291-H335 HydrophobicContact CG2-CB 3.31Å; Y295-H335 AromaticContact CD1-CD2 3.98Å; Y295-H335 AromaticContact CG-CD2 3.7Å; F331-H335 AromaticContact CD1-CE1 3.93Å; F331-H335 AromaticContact CD1-ND1 3.55Å; F331-H335 AromaticContact CD2-CE1 3.75Å; F331-H335 AromaticContact CE1-CE1 3.51Å; F331-H335 AromaticContact CE1-CG 3.95Å; F331-H335 AromaticContact CE1-ND1 3.45Å; F331-H335 WeakPolarHBondContact CE1-ND1 3.3Å; F331-H335 AromaticContact CE2-CE1 3.32Å; F331-H335 WeakPolarHBondContact CE2-CE1 3.47Å; F331-H335 AromaticContact CE2-ND1 3.94Å; F331-H335 AromaticContact CG-ND1 3.83Å; F331-H335 AromaticContact CZ-CE1 3.17Å; F331-H335 WeakPolarHBondContact CZ-CE1 3.22Å; F331-H335 AromaticContact CZ-ND1 3.64Å; F331-H335 AromaticContact CZ-NE2 3.6Å; F331-H335 WeakPolarHBondContact O-CB 3.37Å; F331-H335 PolarHBondContact O-N 2.9Å; F331-H335 PolarHBondContact O-ND1 3.4Å; L333-H335 PolarHBondContact O-N 3.19Å; H335-K338 PolarHBondContact O-N 3.42Å; H335-L339 VanDerWaalsContact O-CB 3.25Å; H335-L339 WeakPolarHBondContact O-CB 3.36Å; H335-L339 WeakPolarHBondContact O-CG 3.21Å; H335-L339 PolarHBondContact O-N 3.25Å
336S89.8Confident89.7Confident0 Ų011.2 Ų11.20%06%0.062CC..Hα-helixtrans-61.7-44170-59.50000111.3F310 L332 L333 L334 L339 M340 I341F310-S336 WeakPolarHBondContact CE2-OG 3.28Å; F310-S336 WeakPolarHBondContact CZ-OG 3.22Å; L332-S336 WeakPolarHBondContact O-CB 3.23Å; L332-S336 PolarHBondContact O-N 3.43Å; L332-S336 PolarHBondContact O-OG 3.33Å; L333-S336 WeakPolarHBondContact O-CB 3.18Å; L333-S336 PolarHBondContact O-N 3.45Å; L334-S336 VanDerWaalsContact C-N 3.32Å; L334-S336 PolarHBondContact O-N 2.87Å; S336-L339 CarbonylContact O-C 3.47Å; S336-L339 PolarHBondContact O-N 3.32Å; S336-M340 PolarHBondContact O-N 3.16Å; S336-I341 WeakPolarHBondContact CB-O 3.44Å; S336-I341 PolarHBondContact O-N 3.31Å
337C86.5Confident89.7Confident0 Ų011 Ų110%06%0.061CC..Hα-helixtrans-58.2-49.8172.6-89.60000112L333 L334 L339 M340 Y342 Y383L333-C337 PolarHBondContact O-N 3.42Å; L334-C337 WeakPolarHBondContact O-CB 3.31Å; L334-C337 PolarHBondContact O-N 3.48Å; C337-L339 VanDerWaalsContact C-N 3.26Å; C337-L339 PolarHBondContact O-N 3.46Å; C337-M340 PolarHBondContact O-N 2.9Å; C337-Y342 PolarHBondContact SG-OH 3.48Å; C337-Y383 VanDerWaalsContact SG-CA 3.52Å; C337-Y383 WeakPolarHBondContact SG-CD2 3.39Å
338K86.4Confident89.6Confident28 Ų2815.9 Ų15.912%0.1228%0.082CC..Hα-helixtrans-61.7-35.1179.2-69.9-177164.1-158.30112.9Y295 L334 H335 M340 E397Y295-K338 HydrophobicContact CD2-CB 4.01Å; Y295-K338 HydrophobicContact CD2-CD 4.41Å; Y295-K338 HydrophobicContact CE2-CB 3.64Å; Y295-K338 HydrophobicContact CE2-CD 3.71Å; Y295-K338 HydrophobicContact CE2-CG 4.26Å; L334-K338 HydrophobicContact CG-CD 4.49Å; L334-K338 WeakPolarHBondContact O-CG 3.4Å; L334-K338 PolarHBondContact O-N 3.33Å; H335-K338 PolarHBondContact O-N 3.42Å; K338-M340 VanDerWaalsContact C-N 3.27Å; K338-M340 PolarHBondContact O-N 3.04Å; K338-E397 IonicContact NZ-OE1 2.63Å; K338-E397 PolarHBondContact NZ-OE1 3.35Å; K338-E397 IonicContact NZ-OE2 3.87Å; K338-E397 PolarHBondContact NZ-OE2 3Å
339L87.7Confident89.5Confident4 Ų417.2 Ų17.22%0.0219%0.092CC..Hα-helixtrans-78.6-7.7175.5-72.1170.6000113.8L294 Y295 H298 K306 F310 H335 S336 C337 I341L294-L339 HydrophobicContact CD2-CD1 3.73Å; L294-L339 HydrophobicContact CG-CD1 3.88Å; L294-L339 HydrophobicContact CG-CD2 4.38Å; Y295-L339 HydrophobicContact CD2-CD2 4.44Å; Y295-L339 HydrophobicContact CD2-CG 4.49Å; H298-L339 HydrophobicContact CB-CD2 3.66Å; K306-L339 HydrophobicContact CD-CD2 4.14Å; F310-L339 HydrophobicContact CD2-CD1 4.43Å; H335-L339 VanDerWaalsContact O-CB 3.25Å; H335-L339 WeakPolarHBondContact O-CB 3.36Å; H335-L339 WeakPolarHBondContact O-CG 3.21Å; H335-L339 PolarHBondContact O-N 3.25Å; S336-L339 CarbonylContact O-C 3.47Å; S336-L339 PolarHBondContact O-N 3.32Å; C337-L339 VanDerWaalsContact C-N 3.26Å; C337-L339 PolarHBondContact O-N 3.46Å; L339-I341 VanDerWaalsContact C-N 3.32Å; L339-I341 HydrophobicContact CB-CD1 3.86Å; L339-I341 HydrophobicContact CB-CG1 3.92Å; L339-I341 HydrophobicContact CD1-CD1 4.25Å
340M85.1Confident89.5Confident47 Ų4717 Ų1723%0.2329%0.091CC..THydrogen-bonded Turntrans64.630.5-173.9-49.9-62.517100114.1Y303 S336 C337 K338 I416 I420Y303-M340 HydrophobicContact CE2-CB 4.31Å; Y303-M340 WeakPolarHBondContact CE2-O 3.34Å; Y303-M340 PolarHBondContact OH-O 3.29Å; S336-M340 PolarHBondContact O-N 3.16Å; C337-M340 PolarHBondContact O-N 2.9Å; K338-M340 VanDerWaalsContact C-N 3.27Å; K338-M340 PolarHBondContact O-N 3.04Å; M340-I416 HydrophobicContact CE-CB 4.04Å; M340-I416 HydrophobicContact CE-CD1 3.68Å; M340-I416 HydrophobicContact CE-CG1 3.74Å; M340-I416 HydrophobicContact CE-CG2 3.25Å; M340-I416 HydrophobicContact SD-CB 4.41Å; M340-I416 HydrophobicContact SD-CD1 4.09Å; M340-I416 HydrophobicContact SD-CG1 4.49Å; M340-I416 HydrophobicContact SD-CG2 3.25Å; M340-I416 WeakPolarHBondContact SD-CG2 3.11Å; M340-I420 HydrophobicContact CB-CD1 3.73Å; M340-I420 HydrophobicContact CG-CD1 4.2Å; M340-I420 HydrophobicContact SD-CD1 3.7Å
341I87.3Confident89.6Confident3 Ų317 Ų172%0.0159%0.091CC..  trans-106.1113.7-177-56.4175000109.8K306 V307 F310 S336 L339 Y383K306-I341 HydrophobicContact CB-CD1 4.04Å; V307-I341 HydrophobicContact CG2-CG1 4.43Å; F310-I341 HydrophobicContact CB-CD1 3.5Å; F310-I341 HydrophobicContact CD1-CB 4.5Å; F310-I341 HydrophobicContact CD1-CD1 4.33Å; F310-I341 HydrophobicContact CD1-CG2 3.59Å; F310-I341 HydrophobicContact CD2-CD1 3.97Å; F310-I341 HydrophobicContact CE1-CG2 3.87Å; F310-I341 HydrophobicContact CG-CD1 3.68Å; F310-I341 HydrophobicContact CG-CG2 4.02Å; S336-I341 WeakPolarHBondContact CB-O 3.44Å; S336-I341 PolarHBondContact O-N 3.31Å; L339-I341 VanDerWaalsContact C-N 3.32Å; L339-I341 HydrophobicContact CB-CD1 3.86Å; L339-I341 HydrophobicContact CB-CG1 3.92Å; L339-I341 HydrophobicContact CD1-CD1 4.25Å; I341-Y383 PolarHBondContact O-OH 2.86Å
342Y83.9Confident89.5Confident26 Ų2619.5 Ų19.510%0.10211%0.111CC..  trans-117.7124.1-176.1-64.8-90.1000111.4C337 Y383 S386 I420 V422C337-Y342 PolarHBondContact SG-OH 3.48Å; Y342-Y383 VanDerWaalsContact CA-OH 3.24Å; Y342-Y383 WeakPolarHBondContact CA-OH 3.29Å; Y342-Y383 HydrophobicContact CD1-CD2 4.42Å; Y342-Y383 HydrophobicContact CD1-CE1 4.02Å; Y342-Y383 AromaticContact CD1-CE2 3.85Å; Y342-Y383 HydrophobicContact CD1-CE2 3.85Å; Y342-Y383 AromaticContact CD1-CZ 3.68Å; Y342-Y383 HydrophobicContact CE1-CD2 4.18Å; Y342-Y383 AromaticContact CE1-CE2 3.95Å; Y342-Y383 HydrophobicContact CE1-CE2 3.95Å; Y342-Y383 VanDerWaalsContact CE1-O 3.3Å; Y342-Y383 WeakPolarHBondContact CE1-O 3.12Å; Y342-S386 PolarHBondContact OH-OG 3.01Å; Y342-S386 VanDerWaalsContact OH-OG 3.08Å; Y342-I420 HydrophobicContact CD2-CB 4.16Å; Y342-I420 HydrophobicContact CD2-CD1 3.9Å; Y342-I420 HydrophobicContact CD2-CG2 3.34Å; Y342-I420 HydrophobicContact CE2-CB 4.16Å; Y342-I420 HydrophobicContact CE2-CD1 3.35Å; Y342-I420 HydrophobicContact CE2-CG1 4.33Å; Y342-I420 HydrophobicContact CE2-CG2 3.85Å; Y342-I420 HydrophobicContact CG-CG2 3.91Å; Y342-V422 HydrophobicContact CD1-CG2 3.77Å; Y342-V422 HydrophobicContact CE1-CG2 4.11Å; Y342-V422 HydrophobicContact CG-CG2 4.25Å
343K84.6Confident89.5Confident13 Ų1321.4 Ų21.46%0.05712%0.119CC..  trans-131.8130-178.3-68.8-165.1-166.2168.50113.4F310 E311 S345 L346 I347 Y383F310-K343 HydrophobicContact CE1-CD 4.28Å; E311-K343 VanDerWaalsContact CD-CE 3.48Å; E311-K343 WeakPolarHBondContact OE1-CE 3.48Å; E311-K343 IonicContact OE1-NZ 2.7Å; E311-K343 PolarHBondContact OE1-NZ 3.15Å; E311-K343 IonicContact OE2-NZ 3.06Å; E311-K343 PolarHBondContact OE2-NZ 3.38Å; K343-S345 VanDerWaalsContact C-N 3.27Å; K343-S345 PolarHBondContact O-N 2.96Å; K343-L346 HydrophobicContact CB-CB 4.13Å; K343-L346 PolarHBondContact O-N 2.81Å; K343-I347 PolarHBondContact O-N 3.36Å; K343-Y383 PolarHBondContact N-OH 3.05Å; K343-Y383 VanDerWaalsContact N-OH 3.12Å
344P87.5Confident89.6Confident56 Ų5621.4 Ų21.436%0.36412%0.119SC..Hα-helixtrans-59.5-38.1170.8-11.918.8000112.3L346 I347 K348 P423 V426P344-L346 VanDerWaalsContact C-N 3.34Å; P344-L346 PolarHBondContact O-N 3.4Å; P344-I347 PolarHBondContact O-N 3.35Å; P344-K348 WeakPolarHBondContact O-CG 3.44Å; P344-K348 PolarHBondContact O-N 3.44Å; P344-P423 HydrophobicContact CB-CB 4.13Å; P344-P423 HydrophobicContact CB-CG 3.85Å; P344-P423 HydrophobicContact CG-CB 3.79Å; P344-P423 HydrophobicContact CG-CG 3.6Å; P344-V426 HydrophobicContact CB-CG2 3.8Å
345S88.8Confident89.8Confident46 Ų4622.9 Ų22.932%0.32213%0.13SC..Hα-helixtrans-63.1-37.6-178.9560000112.7Y314 K343 K348 S349Y314-S345 VanDerWaalsContact OH-CB 3.29Å; Y314-S345 WeakPolarHBondContact OH-CB 2.76Å; Y314-S345 PolarHBondContact OH-O 2.94Å; Y314-S345 VanDerWaalsContact OH-O 3.08Å; Y314-S345 PolarHBondContact OH-OG 2.96Å; K343-S345 VanDerWaalsContact C-N 3.27Å; K343-S345 PolarHBondContact O-N 2.96Å; S345-K348 PolarHBondContact O-N 3.23Å; S345-S349 PolarHBondContact O-N 3.24Å; S345-S349 PolarHBondContact O-OG 3.35Å; S345-S349 VanDerWaalsContact O-OG 3.13Å
346L89.8Confident89.8Confident0 Ų029.9 Ų29.90%016%0.156CC..Hα-helixtrans-64.2-44.4176.2178.355.5000111.5F310 Y314 W324 L332 L333 K343 P344 S349 C350F310-L346 HydrophobicContact CZ-CD2 4.45Å; Y314-L346 HydrophobicContact CD2-CD1 4.28Å; Y314-L346 HydrophobicContact CE2-CB 3.99Å; Y314-L346 HydrophobicContact CE2-CD1 3.85Å; Y314-L346 HydrophobicContact CE2-CG 4.5Å; Y314-L346 PolarHBondContact OH-N 3.03Å; W324-L346 HydrophobicContact CH2-CD1 4.38Å; L332-L346 HydrophobicContact CD2-CD1 3.48Å; L332-L346 VanDerWaalsContact CD2-CD1 3.48Å; L332-L346 HydrophobicContact CD2-CD2 4.43Å; L332-L346 HydrophobicContact CG-CD1 4.1Å; L332-L346 HydrophobicContact CG-CD2 4.2Å; L333-L346 HydrophobicContact CD2-CD1 4.46Å; L333-L346 HydrophobicContact CD2-CD2 3.73Å; L333-L346 HydrophobicContact CD2-CG 3.86Å; K343-L346 HydrophobicContact CB-CB 4.13Å; K343-L346 PolarHBondContact O-N 2.81Å; P344-L346 VanDerWaalsContact C-N 3.34Å; P344-L346 PolarHBondContact O-N 3.4Å; L346-S349 PolarHBondContact O-N 3.45Å; L346-C350 PolarHBondContact O-N 3.42Å; L346-C350 VanDerWaalsContact O-N 3.07Å; L346-C350 PolarHBondContact O-SG 2.9Å
347I91.9Very high89.9Confident0 Ų032.5 Ų32.50%017%0.168CC..Hα-helixtrans-59.4-49.8175.2-60.7172.8000109.9K343 P344 S349 C350 L351 L380 Y383 T384 V422 P423 V426 F427K343-I347 PolarHBondContact O-N 3.36Å; P344-I347 PolarHBondContact O-N 3.35Å; I347-S349 VanDerWaalsContact C-N 3.32Å; I347-S349 PolarHBondContact O-N 3.14Å; I347-C350 PolarHBondContact O-N 3.07Å; I347-C350 VanDerWaalsContact O-N 3.14Å; I347-L351 HydrophobicContact CG2-CD1 3.98Å; I347-L351 HydrophobicContact CG2-CG 4.35Å; I347-L351 WeakPolarHBondContact O-CG 3.24Å; I347-L351 PolarHBondContact O-N 3.35Å; I347-L380 HydrophobicContact CG2-CD2 4.46Å; I347-Y383 HydrophobicContact CD1-CD1 4.47Å; I347-Y383 HydrophobicContact CD1-CE1 4.18Å; I347-Y383 HydrophobicContact CG1-CD1 4.19Å; I347-Y383 HydrophobicContact CG1-CE1 3.89Å; I347-T384 HydrophobicContact CD1-CG2 4.43Å; I347-V422 HydrophobicContact CD1-CG1 4.46Å; I347-P423 HydrophobicContact CD1-CG 4.17Å; I347-V426 HydrophobicContact CG2-CB 4.49Å; I347-V426 HydrophobicContact CG2-CG1 3.94Å; I347-F427 HydrophobicContact CD1-CE2 4.34Å; I347-F427 HydrophobicContact CD1-CZ 4.21Å; I347-F427 HydrophobicContact CG2-CE1 3.67Å; I347-F427 HydrophobicContact CG2-CE2 4.42Å; I347-F427 HydrophobicContact CG2-CZ 3.53Å
348K92.5Very high90.2Very high102 Ų10233.4 Ų33.444%0.44317%0.172SC..Hα-helixtrans-56.2-44178.2-69.9-179.8-177.8-1770112.2P344 S345 C350 L351 A352 V426 W431P344-K348 WeakPolarHBondContact O-CG 3.44Å; P344-K348 PolarHBondContact O-N 3.44Å; S345-K348 PolarHBondContact O-N 3.23Å; K348-C350 PolarHBondContact O-N 2.68Å; K348-L351 PolarHBondContact O-N 2.8Å; K348-A352 WeakPolarHBondContact O-CB 3.22Å; K348-A352 PolarHBondContact O-N 3.14Å; K348-V426 HydrophobicContact CG-CG1 3.88Å; K348-W431 HydrophobicContact CG-CZ2 4.12Å
349S91.3Very high90.5Very high31 Ų3139.5 Ų39.522%0.21719%0.194CC..Hα-helixtrans-64.5-39177.9-640000112.7Y314 S345 L346 I347 A352 K353Y314-S349 PolarHBondContact OH-OG 3.17Å; S345-S349 PolarHBondContact O-N 3.24Å; S345-S349 PolarHBondContact O-OG 3.35Å; S345-S349 VanDerWaalsContact O-OG 3.13Å; L346-S349 PolarHBondContact O-N 3.45Å; I347-S349 VanDerWaalsContact C-N 3.32Å; I347-S349 PolarHBondContact O-N 3.14Å; S349-A352 PolarHBondContact O-N 3.07Å; S349-K353 WeakPolarHBondContact O-CG 3.33Å; S349-K353 PolarHBondContact O-N 3.33Å; S349-K353 VanDerWaalsContact O-N 3.15Å
350C93.3Very high90.5Very high1 Ų142 Ų421%0.00721%0.207CC..Hα-helixtrans-65.2-45.8175.5-62.80000111.5L346 I347 K348 A352 K353 I354 L380L346-C350 PolarHBondContact O-N 3.42Å; L346-C350 VanDerWaalsContact O-N 3.07Å; L346-C350 PolarHBondContact O-SG 2.9Å; I347-C350 PolarHBondContact O-N 3.07Å; I347-C350 VanDerWaalsContact O-N 3.14Å; K348-C350 PolarHBondContact O-N 2.68Å; C350-A352 VanDerWaalsContact C-N 3.31Å; C350-A352 PolarHBondContact O-N 3.23Å; C350-K353 WeakPolarHBondContact O-CB 3.49Å; C350-K353 PolarHBondContact O-N 3.22Å; C350-I354 PolarHBondContact O-N 2.73Å; C350-I354 VanDerWaalsContact O-N 3.1Å; C350-L380 HydrophobicContact CB-CD1 3.84Å; C350-L380 HydrophobicContact CB-CD2 3.77Å; C350-L380 HydrophobicContact CB-CG 4.09Å
351L94.9Very high90.7Very high0 Ų040 Ų400%020%0.198CC..Hα-helixtrans-60.6-39.3175.5-67175.5000111.9I347 K348 K353 I354 S355 L380 V426 F427 W431 V432 L435 F436I347-L351 HydrophobicContact CG2-CD1 3.98Å; I347-L351 HydrophobicContact CG2-CG 4.35Å; I347-L351 WeakPolarHBondContact O-CG 3.24Å; I347-L351 PolarHBondContact O-N 3.35Å; K348-L351 PolarHBondContact O-N 2.8Å; L351-K353 VanDerWaalsContact C-N 3.26Å; L351-K353 PolarHBondContact O-N 3.15Å; L351-I354 HydrophobicContact CD2-CD1 4.24Å; L351-I354 WeakPolarHBondContact O-CB 3.33Å; L351-I354 PolarHBondContact O-N 3.46Å; L351-S355 PolarHBondContact O-N 3.25Å; L351-L380 HydrophobicContact CD2-CD1 4.02Å; L351-L380 HydrophobicContact CG-CD1 4.44Å; L351-V426 HydrophobicContact CD1-CG1 4.22Å; L351-F427 HydrophobicContact CD1-CE1 4.38Å; L351-W431 HydrophobicContact CB-CH2 3.8Å; L351-W431 HydrophobicContact CB-CZ3 3.97Å; L351-W431 HydrophobicContact CD1-CH2 3.85Å; L351-W431 HydrophobicContact CD1-CZ2 4.5Å; L351-W431 HydrophobicContact CD1-CZ3 4.45Å; L351-V432 HydrophobicContact CD1-CG1 3.96Å; L351-V432 HydrophobicContact CD1-CG2 3.78Å; L351-L435 HydrophobicContact CB-CD2 3.84Å; L351-L435 HydrophobicContact CD2-CD2 4.08Å; L351-L435 WeakPolarHBondContact O-CD2 3.35Å; L351-F436 HydrophobicContact CD2-CE1 4.14Å
352A92Very high90.8Very high52 Ų5243.5 Ų43.543%0.4323%0.227SC..Hα-helixtrans-61.9-33174.200000112.6K348 S349 C350 S355 R356K348-A352 WeakPolarHBondContact O-CB 3.22Å; K348-A352 PolarHBondContact O-N 3.14Å; S349-A352 PolarHBondContact O-N 3.07Å; C350-A352 VanDerWaalsContact C-N 3.31Å; C350-A352 PolarHBondContact O-N 3.23Å; A352-S355 WeakPolarHBondContact O-CB 3.47Å; A352-S355 PolarHBondContact O-N 2.92Å; A352-R356 PolarHBondContact O-N 3.5Å
353K91.7Very high91Very high40 Ų4051.1 Ų51.117%0.17426%0.257CS..Hα-helixtrans-70.5-39.2173.8-65.5-71.7177.51720112.1W324 S349 C350 L351 S355 R356 K357 W372W324-K353 HydrophobicContact CB-CD 4.29Å; W324-K353 VanDerWaalsContact CB-CE 3.45Å; W324-K353 VanDerWaalsContact CB-NZ 3.28Å; W324-K353 HydrophobicContact CE3-CD 4.36Å; W324-K353 HydrophobicContact CE3-CG 3.89Å; W324-K353 VanDerWaalsContact CG-CE 3.47Å; W324-K353 HydrophobicContact CZ3-CG 4.48Å; S349-K353 WeakPolarHBondContact O-CG 3.33Å; S349-K353 PolarHBondContact O-N 3.33Å; S349-K353 VanDerWaalsContact O-N 3.15Å; C350-K353 WeakPolarHBondContact O-CB 3.49Å; C350-K353 PolarHBondContact O-N 3.22Å; L351-K353 VanDerWaalsContact C-N 3.26Å; L351-K353 PolarHBondContact O-N 3.15Å; K353-S355 VanDerWaalsContact C-N 3.35Å; K353-R356 PolarHBondContact O-N 2.69Å; K353-K357 WeakPolarHBondContact O-CG 3.24Å; K353-K357 PolarHBondContact O-N 3.4Å; K353-W372 HydrophobicContact CB-CH2 3.91Å
354I95.1Very high91.1Very high0 Ų054.1 Ų54.10%027%0.271CS..Hα-helixtrans-59.1-48.5171.2-59.2174.8000110C350 L351 R356 K357 L358 W372 I373 I376 L377 L380 L435 I439C350-I354 PolarHBondContact O-N 2.73Å; C350-I354 VanDerWaalsContact O-N 3.1Å; L351-I354 HydrophobicContact CD2-CD1 4.24Å; L351-I354 WeakPolarHBondContact O-CB 3.33Å; L351-I354 PolarHBondContact O-N 3.46Å; I354-R356 VanDerWaalsContact C-N 3.27Å; I354-R356 PolarHBondContact O-N 2.85Å; I354-K357 PolarHBondContact O-N 2.96Å; I354-L358 HydrophobicContact CG2-CD1 4.08Å; I354-L358 HydrophobicContact CG2-CG 4.37Å; I354-L358 WeakPolarHBondContact O-CG 3.24Å; I354-L358 PolarHBondContact O-N 2.82Å; I354-W372 HydrophobicContact CG1-CZ3 4.03Å; I354-I373 HydrophobicContact CG2-CG1 4.33Å; I354-I373 HydrophobicContact CG2-CG2 4.16Å; I354-I376 HydrophobicContact CD1-CG2 3.91Å; I354-I376 HydrophobicContact CG1-CB 4.45Å; I354-I376 HydrophobicContact CG1-CG2 3.88Å; I354-L377 HydrophobicContact CD1-CD2 3.66Å; I354-L377 HydrophobicContact CD1-CG 4.08Å; I354-L380 HydrophobicContact CD1-CD1 4.39Å; I354-L435 HydrophobicContact CG2-CD1 4.25Å; I354-I439 HydrophobicContact CG2-CD1 3.79Å; I354-I439 HydrophobicContact CG2-CG1 4.02Å
355S94.8Very high90.7Very high31 Ų3156.3 Ų56.322%0.21729%0.285CS..Hα-helixtrans-54.6-42.8175.4177.30000112.2L351 A352 K353 R359L351-S355 PolarHBondContact O-N 3.25Å; A352-S355 WeakPolarHBondContact O-CB 3.47Å; A352-S355 PolarHBondContact O-N 2.92Å; K353-S355 VanDerWaalsContact C-N 3.35Å; S355-R359 WeakPolarHBondContact O-CG 3.46Å; S355-R359 PolarHBondContact O-N 3.04Å; S355-R359 PolarHBondContact OG-NE 3.21Å; S355-R359 PolarHBondContact OG-NH2 2.87Å
356R91.5Very high90.2Very high147 Ų14760.7 Ų60.756%0.55531%0.31SS*.Hα-helixtrans-64.7-40.7176.2-177.7174.8178.5148.2-0.9112.3A352 K353 I354 R359 I360A352-R356 PolarHBondContact O-N 3.5Å; K353-R356 PolarHBondContact O-N 2.69Å; I354-R356 VanDerWaalsContact C-N 3.27Å; I354-R356 PolarHBondContact O-N 2.85Å; R356-R359 PolarHBondContact O-N 3.4Å; R356-I360 HydrophobicContact CG-CD1 4.27Å; R356-I360 WeakPolarHBondContact O-CG1 3.25Å; R356-I360 PolarHBondContact O-N 3.17Å; R356-I360 VanDerWaalsContact O-N 3.08Å
357K92.3Very high89.8Confident56 Ų5662.1 Ų62.124%0.24332%0.318CS..Hα-helixtrans-66.7-42.6178.4-74.5-63.9-155.8148.40112.3K353 I354 R359 I360 S361 W372K353-K357 WeakPolarHBondContact O-CG 3.24Å; K353-K357 PolarHBondContact O-N 3.4Å; I354-K357 PolarHBondContact O-N 2.96Å; K357-R359 VanDerWaalsContact C-N 3.33Å; K357-R359 PolarHBondContact O-N 2.97Å; K357-I360 HydrophobicContact CD-CD1 4.42Å; K357-I360 WeakPolarHBondContact O-CB 3.33Å; K357-I360 PolarHBondContact O-N 3.15Å; K357-I360 VanDerWaalsContact O-N 3.15Å; K357-S361 PolarHBondContact O-N 2.63Å; K357-S361 PolarHBondContact O-OG 2.88Å; K357-W372 HydrophobicContact CB-CE3 4.09Å; K357-W372 HydrophobicContact CB-CZ3 3.99Å; K357-W372 HydrophobicContact CG-CD2 4.03Å; K357-W372 HydrophobicContact CG-CE3 3.62Å; K357-W372 HydrophobicContact CG-CH2 3.73Å; K357-W372 HydrophobicContact CG-CZ2 4.11Å; K357-W372 HydrophobicContact CG-CZ3 3.48Å; K357-W372 VanDerWaalsContact CG-CZ3 3.48Å
358L92.9Very high89.5Confident18 Ų1865.5 Ų65.59%0.09434%0.336CS..Hα-helixtrans-59.9-43.5173.4-69.7170.4000111.9I354 I360 S361 A362 I373 L435 N438 I439 H442I354-L358 HydrophobicContact CG2-CD1 4.08Å; I354-L358 HydrophobicContact CG2-CG 4.37Å; I354-L358 WeakPolarHBondContact O-CG 3.24Å; I354-L358 PolarHBondContact O-N 2.82Å; L358-I360 VanDerWaalsContact C-N 3.3Å; L358-I360 PolarHBondContact O-N 2.77Å; L358-S361 PolarHBondContact O-N 3.34Å; L358-A362 PolarHBondContact O-N 2.96Å; L358-I373 HydrophobicContact CD2-CD1 3.53Å; L358-I373 HydrophobicContact CG-CD1 4.09Å; L358-L435 HydrophobicContact CD1-CD1 3.56Å; L358-N438 HydrophobicContact CD1-CB 4.09Å; L358-I439 HydrophobicContact CD1-CG1 3.72Å; L358-H442 HydrophobicContact CD2-CB 3.54Å
359R91.4Very high89.4Confident156 Ų15661.7 Ų61.759%0.58932%0.32SS*.Hα-helixtrans-57.9-43174.1-79.8-176.5-103.4178.9-11.1112S355 R356 K357 A362 Y363S355-R359 WeakPolarHBondContact O-CG 3.46Å; S355-R359 PolarHBondContact O-N 3.04Å; S355-R359 PolarHBondContact OG-NE 3.21Å; S355-R359 PolarHBondContact OG-NH2 2.87Å; R356-R359 PolarHBondContact O-N 3.4Å; K357-R359 VanDerWaalsContact C-N 3.33Å; K357-R359 PolarHBondContact O-N 2.97Å; R359-A362 WeakPolarHBondContact O-CB 3.42Å; R359-A362 PolarHBondContact O-N 2.79Å; R359-Y363 WeakPolarHBondContact O-CD2 3.4Å; R359-Y363 PolarHBondContact O-N 3.44Å
360I88.8Confident89.4Confident58 Ų5860.6 Ų60.630%0.29731%0.312SS..Hα-helixtrans-62.9-44.5176.6-67.4164.7000110.9R356 K357 L358 A362 Y363 H364R356-I360 HydrophobicContact CG-CD1 4.27Å; R356-I360 WeakPolarHBondContact O-CG1 3.25Å; R356-I360 PolarHBondContact O-N 3.17Å; R356-I360 VanDerWaalsContact O-N 3.08Å; K357-I360 HydrophobicContact CD-CD1 4.42Å; K357-I360 WeakPolarHBondContact O-CB 3.33Å; K357-I360 PolarHBondContact O-N 3.15Å; K357-I360 VanDerWaalsContact O-N 3.15Å; L358-I360 VanDerWaalsContact C-N 3.3Å; L358-I360 PolarHBondContact O-N 2.77Å; I360-A362 VanDerWaalsContact C-N 3.28Å; I360-A362 PolarHBondContact O-N 2.99Å; I360-Y363 PolarHBondContact O-N 2.95Å; I360-H364 PolarHBondContact O-N 2.84Å
361S89Confident89.4Confident4 Ų461.7 Ų61.73%0.02832%0.317CS..Hα-helixtrans-61.8-35.4176.8-56.10000112.6K357 L358 Y363 H364 Q369 H442K357-S361 PolarHBondContact O-N 2.63Å; K357-S361 PolarHBondContact O-OG 2.88Å; L358-S361 PolarHBondContact O-N 3.34Å; S361-Y363 VanDerWaalsContact C-N 3.3Å; S361-Y363 PolarHBondContact O-N 3.24Å; S361-H364 CarbonylContact O-C 3.57Å; S361-H364 PolarHBondContact O-N 3.47Å; S361-Q369 WeakPolarHBondContact OG-CB 3.5Å; S361-Q369 WeakPolarHBondContact OG-CG 3.16Å; S361-H442 VanDerWaalsContact CB-CE1 3.47Å; S361-H442 WeakPolarHBondContact CB-CE1 3.41Å
362A88Confident89.4Confident77 Ų7762.7 Ų62.764%0.63632%0.321SS*.Hα-helixtrans-63.5-35.8175.900000112.4L358 R359 I360L358-A362 PolarHBondContact O-N 2.96Å; R359-A362 WeakPolarHBondContact O-CB 3.42Å; R359-A362 PolarHBondContact O-N 2.79Å; I360-A362 VanDerWaalsContact C-N 3.28Å; I360-A362 PolarHBondContact O-N 2.99Å
363Y88.4Confident89.5Confident186 Ų18660.2 Ų60.273%0.72930%0.3SS*.Hα-helixtrans-81.3-20174.5-67.2-65000113.6R359 I360 S361R359-Y363 WeakPolarHBondContact O-CD2 3.4Å; R359-Y363 PolarHBondContact O-N 3.44Å; I360-Y363 PolarHBondContact O-N 2.95Å; S361-Y363 VanDerWaalsContact C-N 3.3Å; S361-Y363 PolarHBondContact O-N 3.24Å
364H87Confident89.7Confident75 Ų7558.5 Ų58.535%0.34729%0.293SS..  trans-134.678-178.1-60.6-66.1000110.8I360 S361 T366 I367I360-H364 PolarHBondContact O-N 2.84Å; S361-H364 CarbonylContact O-C 3.57Å; S361-H364 PolarHBondContact O-N 3.47Å; H364-T366 PolarHBondContact O-N 2.91Å; H364-T366 VanDerWaalsContact O-N 3.09Å; H364-I367 HydrophobicContact CB-CB 4.37Å; H364-I367 HydrophobicContact CB-CD1 3.49Å; H364-I367 VanDerWaalsContact CB-CD1 3.49Å; H364-I367 HydrophobicContact CB-CG1 3.8Å; H364-I367 WeakPolarHBondContact O-CB 3.49Å; H364-I367 PolarHBondContact O-N 3.4Å
365P78.9Confident89.8Confident102 Ų10258.6 Ų58.666%0.66229%0.294SS*.THydrogen-bonded Turntrans-60.8-23.3-173-26.135.4000114.8I367P365-I367 PolarHBondContact O-N 2.54Å
366T79.7Confident89.8Confident138 Ų13857.2 Ų57.285%0.84728%0.284SS*.THydrogen-bonded Turntrans-69.7-9.3175.255.70000113.4H364H364-T366 PolarHBondContact O-N 2.91Å; H364-T366 VanDerWaalsContact O-N 3.09Å
367I80.5Confident90.1Very high30 Ų3050.2 Ų50.215%0.15426%0.257CS..  trans-100.3100.4-177.2-54.4-176.3000109.4H8 H364 P365 Q369H8-I367 WeakPolarHBondContact CE1-CD1 3.28Å; H364-I367 HydrophobicContact CB-CB 4.37Å; H364-I367 HydrophobicContact CB-CD1 3.49Å; H364-I367 VanDerWaalsContact CB-CD1 3.49Å; H364-I367 HydrophobicContact CB-CG1 3.8Å; H364-I367 WeakPolarHBondContact O-CB 3.49Å; H364-I367 PolarHBondContact O-N 3.4Å; P365-I367 PolarHBondContact O-N 2.54Å; I367-Q369 HydrophobicContact CG2-CG 4.16Å; I367-Q369 PolarHBondContact O-N 2.94Å
368N85.2Confident90.2Very high72 Ų7247.5 Ų47.539%0.38525%0.246SC..  trans-74.8111.1171.3-171.2-10.1000110.4S370 Q446N368-S370 WeakPolarHBondContact OD1-CB 3.5Å; N368-S370 PolarHBondContact OD1-N 3.45Å; N368-S370 PolarHBondContact OD1-OG 2.91Å; N368-Q446 VanDerWaalsContact CG-OE1 3.29Å
369Q90.4Very high90.3Very high22 Ų2246.7 Ų46.710%0.10324%0.241CC..  trans-96.64.7175.8-68.6-67.7-49.600112.7S361 I367 Q371 W372 I373S361-Q369 WeakPolarHBondContact OG-CB 3.5Å; S361-Q369 WeakPolarHBondContact OG-CG 3.16Å; I367-Q369 HydrophobicContact CG2-CG 4.16Å; I367-Q369 PolarHBondContact O-N 2.94Å; Q369-Q371 PolarHBondContact O-N 3.34Å; Q369-W372 PolarHBondContact O-N 2.91Å; Q369-W372 VanDerWaalsContact O-N 3.07Å; Q369-I373 HydrophobicContact CB-CD1 4.1Å; Q369-I373 HydrophobicContact CB-CG1 4.39Å; Q369-I373 WeakPolarHBondContact O-CG1 3.27Å; Q369-I373 PolarHBondContact O-N 3.05Å
370S92.5Very high90.4Very high7 Ų739.2 Ų39.25%0.04921%0.213CC..Hα-helixtrans-57.3-44.2-171.7-55.80000112.7N368 W372 I373 N374N368-S370 WeakPolarHBondContact OD1-CB 3.5Å; N368-S370 PolarHBondContact OD1-N 3.45Å; N368-S370 PolarHBondContact OD1-OG 2.91Å; S370-W372 PolarHBondContact O-N 3.47Å; S370-I373 PolarHBondContact O-N 3.02Å; S370-N374 VanDerWaalsContact O-CB 3.22Å; S370-N374 WeakPolarHBondContact O-CB 3.36Å; S370-N374 PolarHBondContact O-N 3.3Å
371Q92.7Very high90.6Very high25 Ų2536.5 Ų36.512%0.11720%0.199CC..Hα-helixtrans-63.5-39.1177.6-68.5-67.7-2.500112.8W141 P142 Q369 A375W141-Q371 HydrophobicContact CZ2-CB 4.33Å; P142-Q371 HydrophobicContact CG-CB 3.92Å; Q369-Q371 PolarHBondContact O-N 3.34Å; Q371-A375 WeakPolarHBondContact O-CB 3.27Å; Q371-A375 PolarHBondContact O-N 3.24Å
372W93.8Very high90.7Very high20 Ų2036.3 Ų36.38%0.07620%0.198CC..Hα-helixtrans-67.5-43.1175.5-175.791.5000111.1W141 K353 I354 K357 Q369 S370 A375 I376W141-W372 HydrophobicContact CH2-CB 3.91Å; W141-W372 AromaticContact CH2-CD1 3.88Å; W141-W372 HydrophobicContact CH2-CG 4.32Å; W141-W372 HydrophobicContact CZ2-CB 3.88Å; K353-W372 HydrophobicContact CB-CH2 3.91Å; I354-W372 HydrophobicContact CG1-CZ3 4.03Å; K357-W372 HydrophobicContact CB-CE3 4.09Å; K357-W372 HydrophobicContact CB-CZ3 3.99Å; K357-W372 HydrophobicContact CG-CD2 4.03Å; K357-W372 HydrophobicContact CG-CE3 3.62Å; K357-W372 HydrophobicContact CG-CH2 3.73Å; K357-W372 HydrophobicContact CG-CZ2 4.11Å; K357-W372 HydrophobicContact CG-CZ3 3.48Å; K357-W372 VanDerWaalsContact CG-CZ3 3.48Å; Q369-W372 PolarHBondContact O-N 2.91Å; Q369-W372 VanDerWaalsContact O-N 3.07Å; S370-W372 PolarHBondContact O-N 3.47Å; W372-A375 PolarHBondContact O-N 3.23Å; W372-I376 HydrophobicContact CD2-CG1 4.06Å; W372-I376 HydrophobicContact CE3-CG1 4.02Å; W372-I376 HydrophobicContact CH2-CB 4.44Å; W372-I376 HydrophobicContact CH2-CD1 4.35Å; W372-I376 HydrophobicContact CH2-CG1 3.65Å; W372-I376 HydrophobicContact CZ2-CD1 4.08Å; W372-I376 HydrophobicContact CZ2-CG1 3.68Å; W372-I376 HydrophobicContact CZ3-CB 4.29Å; W372-I376 HydrophobicContact CZ3-CG1 3.8Å; W372-I376 WeakPolarHBondContact O-CG1 3.38Å; W372-I376 PolarHBondContact O-N 3.27Å; W372-I376 VanDerWaalsContact O-N 3.12Å
373I95.5Very high90.7Very high0 Ų032.6 Ų32.60%017%0.167CC..Hα-helixtrans-63.1-45.5178.2-67.4168.5000109.7I354 L358 Q369 S370 A375 I376 L377 I439I354-I373 HydrophobicContact CG2-CG1 4.33Å; I354-I373 HydrophobicContact CG2-CG2 4.16Å; L358-I373 HydrophobicContact CD2-CD1 3.53Å; L358-I373 HydrophobicContact CG-CD1 4.09Å; Q369-I373 HydrophobicContact CB-CD1 4.1Å; Q369-I373 HydrophobicContact CB-CG1 4.39Å; Q369-I373 WeakPolarHBondContact O-CG1 3.27Å; Q369-I373 PolarHBondContact O-N 3.05Å; S370-I373 PolarHBondContact O-N 3.02Å; I373-A375 PolarHBondContact O-N 2.85Å; I373-I376 PolarHBondContact O-N 3.2Å; I373-L377 HydrophobicContact CG2-CD1 3.73Å; I373-L377 HydrophobicContact CG2-CG 4.13Å; I373-L377 WeakPolarHBondContact O-CB 3.4Å; I373-L377 VanDerWaalsContact O-CG 3.31Å; I373-L377 WeakPolarHBondContact O-CG 3.36Å; I373-L377 PolarHBondContact O-N 2.97Å; I373-I439 HydrophobicContact CG2-CD1 4.4Å; I373-I439 HydrophobicContact CG2-CG1 4.41Å; I373-I439 HydrophobicContact CG2-CG2 4.1Å
374N95.8Very high90.6Very high4 Ų423.9 Ų23.92%0.02113%0.133CC..Hα-helixtrans-53.8-52.4174.9-178.336.7000111.3S370 I376 L377 A378 Q459 I460S370-N374 VanDerWaalsContact O-CB 3.22Å; S370-N374 WeakPolarHBondContact O-CB 3.36Å; S370-N374 PolarHBondContact O-N 3.3Å; N374-I376 VanDerWaalsContact C-N 3.34Å; N374-I376 PolarHBondContact O-N 3.15Å; N374-L377 PolarHBondContact O-N 3.05Å; N374-A378 VanDerWaalsContact O-CB 3.24Å; N374-A378 WeakPolarHBondContact O-CB 3.34Å; N374-A378 PolarHBondContact O-N 3.03Å; N374-Q459 PolarHBondContact ND2-OE1 3.48Å; N374-Q459 VanDerWaalsContact OD1-CB 3.23Å; N374-Q459 WeakPolarHBondContact OD1-CB 3.32Å; N374-I460 HydrophobicContact CB-CD1 4.06Å; N374-I460 HydrophobicContact CB-CG1 3.71Å
375A96.3Very high90.3Very high2 Ų221 Ų212%0.01712%0.121CC..Hα-helixtrans-59.9-40.9-179.600000113.1P142 L326 Q371 W372 I373 A379 I402P142-A375 HydrophobicContact CB-CB 3.88Å; P142-A375 HydrophobicContact CG-CB 4.31Å; L326-A375 HydrophobicContact CD1-CB 3.84Å; L326-A375 HydrophobicContact CD2-CB 4.24Å; Q371-A375 WeakPolarHBondContact O-CB 3.27Å; Q371-A375 PolarHBondContact O-N 3.24Å; W372-A375 PolarHBondContact O-N 3.23Å; I373-A375 PolarHBondContact O-N 2.85Å; A375-A379 WeakPolarHBondContact O-CB 3.25Å; A375-A379 PolarHBondContact O-N 3.36Å; A375-I402 HydrophobicContact CB-CB 4.12Å; A375-I402 HydrophobicContact CB-CD1 4.38Å
376I96.4Very high90.1Very high2 Ų217 Ų171%0.0110%0.096CC..Hα-helixtrans-72.7-39.9178-63.5-69000111.8L326 V329 I354 W372 I373 N374 A379 L380L326-I376 HydrophobicContact CD1-CD1 3.41Å; L326-I376 VanDerWaalsContact CD1-CD1 3.41Å; L326-I376 HydrophobicContact CD1-CG1 3.88Å; V329-I376 HydrophobicContact CB-CD1 4.23Å; V329-I376 HydrophobicContact CG1-CD1 3.93Å; I354-I376 HydrophobicContact CD1-CG2 3.91Å; I354-I376 HydrophobicContact CG1-CB 4.45Å; I354-I376 HydrophobicContact CG1-CG2 3.88Å; W372-I376 HydrophobicContact CD2-CG1 4.06Å; W372-I376 HydrophobicContact CE3-CG1 4.02Å; W372-I376 HydrophobicContact CH2-CB 4.44Å; W372-I376 HydrophobicContact CH2-CD1 4.35Å; W372-I376 HydrophobicContact CH2-CG1 3.65Å; W372-I376 HydrophobicContact CZ2-CD1 4.08Å; W372-I376 HydrophobicContact CZ2-CG1 3.68Å; W372-I376 HydrophobicContact CZ3-CB 4.29Å; W372-I376 HydrophobicContact CZ3-CG1 3.8Å; W372-I376 WeakPolarHBondContact O-CG1 3.38Å; W372-I376 PolarHBondContact O-N 3.27Å; W372-I376 VanDerWaalsContact O-N 3.12Å; I373-I376 PolarHBondContact O-N 3.2Å; N374-I376 VanDerWaalsContact C-N 3.34Å; N374-I376 PolarHBondContact O-N 3.15Å; I376-A379 PolarHBondContact O-N 3.28Å; I376-L380 HydrophobicContact CG2-CD1 4.27Å; I376-L380 WeakPolarHBondContact O-CB 2.99Å; I376-L380 WeakPolarHBondContact O-CG 3.21Å; I376-L380 PolarHBondContact O-N 3.13Å
377L96.6Very high89.7Confident0 Ų011.8 Ų11.80%06%0.061CC..Hα-helixtrans-63.5-43.2174.7-73.2175.4000111I354 I373 N374 L380 A381 I439 I460 L464 F467I354-L377 HydrophobicContact CD1-CD2 3.66Å; I354-L377 HydrophobicContact CD1-CG 4.08Å; I373-L377 HydrophobicContact CG2-CD1 3.73Å; I373-L377 HydrophobicContact CG2-CG 4.13Å; I373-L377 WeakPolarHBondContact O-CB 3.4Å; I373-L377 VanDerWaalsContact O-CG 3.31Å; I373-L377 WeakPolarHBondContact O-CG 3.36Å; I373-L377 PolarHBondContact O-N 2.97Å; N374-L377 PolarHBondContact O-N 3.05Å; L377-L380 PolarHBondContact O-N 3.23Å; L377-A381 WeakPolarHBondContact O-CB 3.41Å; L377-A381 PolarHBondContact O-N 3.42Å; L377-I439 HydrophobicContact CD1-CD1 4.2Å; L377-I439 HydrophobicContact CD1-CG2 4.37Å; L377-I439 HydrophobicContact CD2-CD1 4.2Å; L377-I460 HydrophobicContact CD1-CG2 4.1Å; L377-L464 HydrophobicContact CD1-CD2 4.26Å; L377-L464 HydrophobicContact CD1-CG 4.5Å; L377-L464 HydrophobicContact CD2-CD2 4.38Å; L377-F467 HydrophobicContact CD2-CE2 3.91Å; L377-F467 WeakPolarHBondContact O-CZ 3.34Å
378A95.3Very high89Confident0 Ų011.8 Ų11.80%06%0.061CC..Hα-helixtrans-62.1-45.4175.500000111.8N374 L380 A381 N382 I402 P404N374-A378 VanDerWaalsContact O-CB 3.24Å; N374-A378 WeakPolarHBondContact O-CB 3.34Å; N374-A378 PolarHBondContact O-N 3.03Å; A378-L380 VanDerWaalsContact C-N 3.33Å; A378-L380 PolarHBondContact O-N 3.05Å; A378-A381 WeakPolarHBondContact O-CB 3.45Å; A378-A381 PolarHBondContact O-N 2.84Å; A378-A381 VanDerWaalsContact O-N 3.12Å; A378-N382 PolarHBondContact O-N 2.82Å; A378-N382 PolarHBondContact O-ND2 3.41Å; A378-I402 VanDerWaalsContact CB-O 3.22Å; A378-I402 WeakPolarHBondContact CB-O 3.3Å; A378-P404 HydrophobicContact CB-CG 4.02Å
379A94.4Very high87.8Confident0 Ų08.5 Ų8.50%05%0.045CC..Hα-helixtrans-61.1-41.1174.800000112.3L333 A375 I376 A381 Y383 F401 I402L333-A379 HydrophobicContact CD1-CB 3.94Å; A375-A379 WeakPolarHBondContact O-CB 3.25Å; A375-A379 PolarHBondContact O-N 3.36Å; I376-A379 PolarHBondContact O-N 3.28Å; A379-A381 VanDerWaalsContact C-N 3.34Å; A379-Y383 VanDerWaalsContact O-CB 3.27Å; A379-Y383 WeakPolarHBondContact O-CB 3.49Å; A379-Y383 PolarHBondContact O-N 2.73Å; A379-F401 VanDerWaalsContact CA-O 3.27Å; A379-F401 WeakPolarHBondContact CA-O 3.4Å; A379-F401 HydrophobicContact CB-CD1 3.99Å; A379-F401 HydrophobicContact CB-CE1 3.94Å; A379-F401 WeakPolarHBondContact O-CE1 3.41Å; A379-I402 HydrophobicContact CB-CG2 4.43Å
380L93.9Very high86.4Confident0 Ų08 Ų80%05%0.045CC..Hα-helixtrans-64.7-38.7172.9-77.7173.4000111.9L333 I347 C350 L351 I354 I376 L377 A378 Y383 T384 F467L333-L380 HydrophobicContact CD1-CD2 4.12Å; L333-L380 HydrophobicContact CD1-CG 4.4Å; L333-L380 HydrophobicContact CD2-CD2 4.24Å; I347-L380 HydrophobicContact CG2-CD2 4.46Å; C350-L380 HydrophobicContact CB-CD1 3.84Å; C350-L380 HydrophobicContact CB-CD2 3.77Å; C350-L380 HydrophobicContact CB-CG 4.09Å; L351-L380 HydrophobicContact CD2-CD1 4.02Å; L351-L380 HydrophobicContact CG-CD1 4.44Å; I354-L380 HydrophobicContact CD1-CD1 4.39Å; I376-L380 HydrophobicContact CG2-CD1 4.27Å; I376-L380 WeakPolarHBondContact O-CB 2.99Å; I376-L380 WeakPolarHBondContact O-CG 3.21Å; I376-L380 PolarHBondContact O-N 3.13Å; L377-L380 PolarHBondContact O-N 3.23Å; A378-L380 VanDerWaalsContact C-N 3.33Å; A378-L380 PolarHBondContact O-N 3.05Å; L380-Y383 WeakPolarHBondContact O-CB 3.09Å; L380-Y383 PolarHBondContact O-N 3.05Å; L380-T384 VanDerWaalsContact O-CG2 3.25Å; L380-T384 WeakPolarHBondContact O-CG2 3.5Å; L380-T384 PolarHBondContact O-N 3.46Å; L380-T384 PolarHBondContact O-OG1 3.35Å; L380-F467 HydrophobicContact CB-CE1 4.32Å; L380-F467 HydrophobicContact CB-CZ 3.71Å
381A92.2Very high85Confident0 Ų013 Ų130%08%0.079CC..Hα-helixtrans-66.8-47.7179.500000110.8L377 A378 A379 Y383 T384 V385 P405 L466 F467L377-A381 WeakPolarHBondContact O-CB 3.41Å; L377-A381 PolarHBondContact O-N 3.42Å; A378-A381 WeakPolarHBondContact O-CB 3.45Å; A378-A381 PolarHBondContact O-N 2.84Å; A378-A381 VanDerWaalsContact O-N 3.12Å; A379-A381 VanDerWaalsContact C-N 3.34Å; A381-Y383 VanDerWaalsContact C-N 3.25Å; A381-Y383 PolarHBondContact O-N 2.88Å; A381-T384 PolarHBondContact O-N 3.46Å; A381-T384 VanDerWaalsContact O-N 3.15Å; A381-T384 PolarHBondContact O-OG1 3.35Å; A381-V385 WeakPolarHBondContact O-CG2 3.42Å; A381-V385 PolarHBondContact O-N 2.87Å; A381-P405 HydrophobicContact CB-CG 4.38Å; A381-L466 HydrophobicContact CB-CD1 3.77Å; A381-F467 HydrophobicContact CB-CE1 4.17Å; A381-F467 HydrophobicContact CB-CZ 3.84Å
382N90.5Very high83.6Confident0 Ų013.4 Ų13.40%09%0.091CC..Hα-helixtrans-56.8-42171.9-77.9-57.2000111.7A378 S386 F387 F401 K403 P405A378-N382 PolarHBondContact O-N 2.82Å; A378-N382 PolarHBondContact O-ND2 3.41Å; N382-S386 PolarHBondContact O-N 3.35Å; N382-S386 VanDerWaalsContact O-N 3.11Å; N382-F387 PolarHBondContact O-N 2.89Å; N382-F387 WeakPolarHBondContact OD1-CD1 3.23Å; N382-F401 HydrophobicContact CB-CD2 3.64Å; N382-F401 HydrophobicContact CB-CE1 4.34Å; N382-F401 HydrophobicContact CB-CE2 3.41Å; N382-F401 VanDerWaalsContact CB-CE2 3.41Å; N382-F401 HydrophobicContact CB-CG 4.23Å; N382-F401 HydrophobicContact CB-CZ 3.79Å; N382-F401 PolarHBondContact ND2-O 2.77Å; N382-K403 PolarHBondContact ND2-O 2.92Å; N382-P405 WeakPolarHBondContact OD1-CA 3.3Å; N382-P405 VanDerWaalsContact OD1-CB 3.24Å; N382-P405 WeakPolarHBondContact OD1-CB 3.41Å
383Y88.8Confident82.7Confident0 Ų016.3 Ų16.30%011%0.108CC..Hα-helixtrans-59-47.7174.8-177.1-108.5000111.8L333 C337 I341 Y342 K343 I347 A379 L380 A381 S386L333-Y383 HydrophobicContact CB-CD2 4.27Å; L333-Y383 HydrophobicContact CD2-CD1 3.91Å; L333-Y383 HydrophobicContact CD2-CD2 3.82Å; L333-Y383 HydrophobicContact CD2-CE1 4.2Å; L333-Y383 HydrophobicContact CD2-CE2 4.18Å; L333-Y383 HydrophobicContact CD2-CG 3.68Å; C337-Y383 VanDerWaalsContact SG-CA 3.52Å; C337-Y383 WeakPolarHBondContact SG-CD2 3.39Å; I341-Y383 PolarHBondContact O-OH 2.86Å; Y342-Y383 VanDerWaalsContact CA-OH 3.24Å; Y342-Y383 WeakPolarHBondContact CA-OH 3.29Å; Y342-Y383 HydrophobicContact CD1-CD2 4.42Å; Y342-Y383 HydrophobicContact CD1-CE1 4.02Å; Y342-Y383 AromaticContact CD1-CE2 3.85Å; Y342-Y383 HydrophobicContact CD1-CE2 3.85Å; Y342-Y383 AromaticContact CD1-CZ 3.68Å; Y342-Y383 HydrophobicContact CE1-CD2 4.18Å; Y342-Y383 AromaticContact CE1-CE2 3.95Å; Y342-Y383 HydrophobicContact CE1-CE2 3.95Å; Y342-Y383 VanDerWaalsContact CE1-O 3.3Å; Y342-Y383 WeakPolarHBondContact CE1-O 3.12Å; K343-Y383 PolarHBondContact N-OH 3.05Å; K343-Y383 VanDerWaalsContact N-OH 3.12Å; I347-Y383 HydrophobicContact CD1-CD1 4.47Å; I347-Y383 HydrophobicContact CD1-CE1 4.18Å; I347-Y383 HydrophobicContact CG1-CD1 4.19Å; I347-Y383 HydrophobicContact CG1-CE1 3.89Å; A379-Y383 VanDerWaalsContact O-CB 3.27Å; A379-Y383 WeakPolarHBondContact O-CB 3.49Å; A379-Y383 PolarHBondContact O-N 2.73Å; L380-Y383 WeakPolarHBondContact O-CB 3.09Å; L380-Y383 PolarHBondContact O-N 3.05Å; A381-Y383 VanDerWaalsContact C-N 3.25Å; A381-Y383 PolarHBondContact O-N 2.88Å; Y383-S386 PolarHBondContact O-N 3.32Å
384T85.6Confident82Confident2 Ų217.2 Ų17.21%0.01211%0.114CC..Hα-helixtrans-75.6-27.9-175.156.10000114I347 L380 A381 S386 V422 Y424 F427 F467I347-T384 HydrophobicContact CD1-CG2 4.43Å; L380-T384 VanDerWaalsContact O-CG2 3.25Å; L380-T384 WeakPolarHBondContact O-CG2 3.5Å; L380-T384 PolarHBondContact O-N 3.46Å; L380-T384 PolarHBondContact O-OG1 3.35Å; A381-T384 PolarHBondContact O-N 3.46Å; A381-T384 VanDerWaalsContact O-N 3.15Å; A381-T384 PolarHBondContact O-OG1 3.35Å; T384-S386 VanDerWaalsContact C-N 3.35Å; T384-V422 HydrophobicContact CG2-CG1 4.09Å; T384-Y424 VanDerWaalsContact C-OH 3.23Å; T384-Y424 WeakPolarHBondContact CB-OH 3.47Å; T384-Y424 PolarHBondContact O-OH 3.07Å; T384-F427 HydrophobicContact CG2-CE2 3.48Å; T384-F427 VanDerWaalsContact CG2-CE2 3.48Å; T384-F427 HydrophobicContact CG2-CZ 3.53Å; T384-F467 HydrophobicContact CG2-CE1 4.12Å
385V81.5Confident81.3Confident16 Ų1618.7 Ų18.710%0.09712%0.12CC..Hα-helixtrans-90.20.9175.3-54.70000113.3A381 F387 P405 L466 P534 W538A381-V385 WeakPolarHBondContact O-CG2 3.42Å; A381-V385 PolarHBondContact O-N 2.87Å; V385-F387 VanDerWaalsContact C-N 3.27Å; V385-F387 HydrophobicContact CG2-CB 3.6Å; V385-F387 PolarHBondContact O-N 3.49Å; V385-P405 HydrophobicContact CG2-CB 3.79Å; V385-P405 HydrophobicContact CG2-CG 3.69Å; V385-L466 HydrophobicContact CG1-CD2 4.17Å; V385-P534 HydrophobicContact CG1-CG 4.46Å; V385-P534 HydrophobicContact CG2-CB 4.3Å; V385-P534 HydrophobicContact CG2-CG 4.36Å; V385-W538 HydrophobicContact CG1-CH2 4.2Å
386S74.2Confident80.7Confident17 Ų1722.4 Ų22.412%0.11914%0.137CC..THydrogen-bonded Turntrans57.336.5-175.2-55.50000113.3Y342 N382 Y383 T384Y342-S386 PolarHBondContact OH-OG 3.01Å; Y342-S386 VanDerWaalsContact OH-OG 3.08Å; N382-S386 PolarHBondContact O-N 3.35Å; N382-S386 VanDerWaalsContact O-N 3.11Å; Y383-S386 PolarHBondContact O-N 3.32Å; T384-S386 VanDerWaalsContact C-N 3.35Å
387F71.3Confident80.2Confident28 Ų2823.5 Ų23.512%0.12314%0.143CC..  trans-93.9112.3176-169.6-93.5000109N382 V385 F401 P405N382-F387 PolarHBondContact O-N 2.89Å; N382-F387 WeakPolarHBondContact OD1-CD1 3.23Å; V385-F387 VanDerWaalsContact C-N 3.27Å; V385-F387 HydrophobicContact CG2-CB 3.6Å; V385-F387 PolarHBondContact O-N 3.49Å; F387-F401 WeakPolarHBondContact O-CE2 3.35Å; F387-P405 HydrophobicContact CB-CB 3.96Å; F387-P405 HydrophobicContact CD1-CB 4.05Å; F387-P405 HydrophobicContact CD2-CB 4.47Å; F387-P405 HydrophobicContact CG-CB 3.93Å
388N65.2Low80Confident30 Ų3023.5 Ų23.516%0.1614%0.143CC..  trans-91.24-176.559.5-12.7000113.9M414 I416N388-M414 PolarHBondContact OD1-O 3.04Å; N388-I416 HydrophobicContact CB-CD1 4.3Å
389G61.2Low79.7Confident3 Ų325.7 Ų25.73%0.03115%0.153CC..  trans86.9-169.9-179.300000114.1
390A61.5Low79.4Confident13 Ų1330.9 Ų30.911%0.10717%0.173CC..SBendtrans-69.4153.5177.100000111.6G392 Y400A390-G392 PolarHBondContact O-N 3.03Å; A390-Y400 HydrophobicContact CB-CD2 3.83Å; A390-Y400 HydrophobicContact CB-CE2 3.85Å; A390-Y400 HydrophobicContact CB-CG 4.3Å
391S61.6Low79.3Confident110 Ų11030.9 Ų30.977%0.76917%0.173SC*.SBendtrans-66.8116.7165.352.70000108.8
392G65.1Low79.3Confident35 Ų3531 Ų3136%0.36117%0.174SC..SBendtrans-168.7-171.3-177.200000111.8A390 E396A390-G392 PolarHBondContact O-N 3.03Å; G392-E396 WeakPolarHBondContact CA-OE2 3.48Å
393N74.8Confident79.3Confident81 Ų8134.2 Ų34.243%0.43319%0.188SC..  trans-70165.1169.465.142.4000110.6E395 E396 E397N393-E395 PolarHBondContact O-N 3.39Å; N393-E395 WeakPolarHBondContact OD1-CB 3.33Å; N393-E395 PolarHBondContact OD1-N 3.13Å; N393-E396 PolarHBondContact N-OE2 3.23Å; N393-E396 PolarHBondContact ND2-OE1 3.18Å; N393-E396 PolarHBondContact O-N 2.86Å; N393-E396 WeakPolarHBondContact OD1-CB 3.39Å; N393-E396 VanDerWaalsContact OD1-CG 3.29Å; N393-E396 WeakPolarHBondContact OD1-CG 3.37Å; N393-E396 PolarHBondContact OD1-N 3.27Å; N393-E397 VanDerWaalsContact O-CG 3.3Å; N393-E397 WeakPolarHBondContact O-CG 3.45Å; N393-E397 PolarHBondContact O-N 2.9Å
394C79.4Confident79.5Confident19 Ų1934.5 Ų34.513%0.12819%0.189CC..Hα-helixtrans-61.2-31-176.3-167.80000112.8L398C394-L398 WeakPolarHBondContact O-CD1 3.26Å; C394-L398 WeakPolarHBondContact O-CG 3.12Å; C394-L398 PolarHBondContact O-N 3.08Å
395E82.3Confident79.6Confident34 Ų3434.4 Ų34.416%0.15919%0.189CC..Hα-helixtrans-64.2-52.9176-178.5-172.3130.600111.5K147 H150 I151 N393 E397 L398 Q399K147-E395 HydrophobicContact CB-CG 4.42Å; K147-E395 WeakPolarHBondContact CD-OE1 3.24Å; K147-E395 WeakPolarHBondContact CE-OE1 3.32Å; K147-E395 HydrophobicContact CG-CG 4.38Å; K147-E395 VanDerWaalsContact CG-OE1 3.24Å; K147-E395 WeakPolarHBondContact CG-OE1 3.28Å; K147-E395 IonicContact NZ-OE1 3.65Å; H150-E395 HydrophobicContact CB-CG 4.48Å; I151-E395 WeakPolarHBondContact CG1-OE2 3.24Å; N393-E395 PolarHBondContact O-N 3.39Å; N393-E395 WeakPolarHBondContact OD1-CB 3.33Å; N393-E395 PolarHBondContact OD1-N 3.13Å; E395-E397 VanDerWaalsContact C-N 3.33Å; E395-E397 PolarHBondContact O-N 3.35Å; E395-L398 PolarHBondContact O-N 2.92Å; E395-Q399 WeakPolarHBondContact O-CG 3.09Å; E395-Q399 PolarHBondContact O-N 3.27Å
396E82.7Confident79.8Confident80 Ų8034.6 Ų34.637%0.37419%0.191SC..Hα-helixtrans-58.8-46.8177.7-73.3164.6-168.700110.4G392 N393 L398 Q399 Y400G392-E396 WeakPolarHBondContact CA-OE2 3.48Å; N393-E396 PolarHBondContact N-OE2 3.23Å; N393-E396 PolarHBondContact ND2-OE1 3.18Å; N393-E396 PolarHBondContact O-N 2.86Å; N393-E396 WeakPolarHBondContact OD1-CB 3.39Å; N393-E396 VanDerWaalsContact OD1-CG 3.29Å; N393-E396 WeakPolarHBondContact OD1-CG 3.37Å; N393-E396 PolarHBondContact OD1-N 3.27Å; E396-L398 VanDerWaalsContact C-N 3.3Å; E396-L398 PolarHBondContact O-N 3.38Å; E396-Q399 PolarHBondContact O-N 2.94Å; E396-Q399 VanDerWaalsContact O-N 3.12Å; E396-Y400 HydrophobicContact CB-CD2 4.44Å; E396-Y400 HydrophobicContact CB-CE2 4.39Å; E396-Y400 WeakPolarHBondContact O-CD2 3.45Å; E396-Y400 PolarHBondContact O-N 3.09Å
397E87Confident80Confident26 Ų2636.3 Ų36.312%0.12119%0.194CC..Hα-helixtrans-55.6-44.4176.5-71.3174.8149.100111.9L334 K338 N393 E395 Y400 F401L334-E397 HydrophobicContact CD2-CB 4.04Å; K338-E397 IonicContact NZ-OE1 2.63Å; K338-E397 PolarHBondContact NZ-OE1 3.35Å; K338-E397 IonicContact NZ-OE2 3.87Å; K338-E397 PolarHBondContact NZ-OE2 3Å; N393-E397 VanDerWaalsContact O-CG 3.3Å; N393-E397 WeakPolarHBondContact O-CG 3.45Å; N393-E397 PolarHBondContact O-N 2.9Å; E395-E397 VanDerWaalsContact C-N 3.33Å; E395-E397 PolarHBondContact O-N 3.35Å; E397-Y400 PolarHBondContact O-N 3.17Å; E397-F401 WeakPolarHBondContact O-CB 3.3Å; E397-F401 PolarHBondContact O-N 2.97Å
398L90.5Very high79.8Confident0 Ų038.9 Ų38.90%021%0.21CC..Hα-helixtrans-64.6-40.9176.8-72163000112.3I146 H150 Y327 F331 L334 C394 E395 E396 F401 I402I146-L398 HydrophobicContact CG2-CB 3.63Å; I146-L398 HydrophobicContact CG2-CD1 4.37Å; H150-L398 VanDerWaalsContact ND1-CD1 3.29Å; H150-L398 WeakPolarHBondContact ND1-CD1 3.05Å; Y327-L398 HydrophobicContact CE2-CD1 3.91Å; F331-L398 HydrophobicContact CB-CD2 4.17Å; F331-L398 HydrophobicContact CD2-CD1 3.91Å; F331-L398 HydrophobicContact CD2-CD2 4.12Å; F331-L398 HydrophobicContact CE2-CD1 4.46Å; L334-L398 HydrophobicContact CB-CD2 4.27Å; L334-L398 HydrophobicContact CD2-CD2 3.53Å; L334-L398 HydrophobicContact CD2-CG 3.77Å; C394-L398 WeakPolarHBondContact O-CD1 3.26Å; C394-L398 WeakPolarHBondContact O-CG 3.12Å; C394-L398 PolarHBondContact O-N 3.08Å; E395-L398 PolarHBondContact O-N 2.92Å; E396-L398 VanDerWaalsContact C-N 3.3Å; E396-L398 PolarHBondContact O-N 3.38Å; L398-F401 PolarHBondContact O-N 3.36Å; L398-I402 PolarHBondContact O-N 2.9Å
399Q90Very high79.1Confident45 Ų4544.2 Ų44.221%0.2123%0.233CC..Hα-helixtrans-65.7-38.1177.1-71.5-174.8-29.500112.3S143 E395 E396 I402S143-Q399 PolarHBondContact O-NE2 3.43Å; E395-Q399 WeakPolarHBondContact O-CG 3.09Å; E395-Q399 PolarHBondContact O-N 3.27Å; E396-Q399 PolarHBondContact O-N 2.94Å; E396-Q399 VanDerWaalsContact O-N 3.12Å; Q399-I402 WeakPolarHBondContact O-CG1 3.41Å
400Y88.1Confident78.5Confident109 Ų10951.5 Ų51.543%0.42727%0.272SS..Hα-helixtrans-68.7-37.4172-77.5-69.2000111.6A390 E396 E397 I402 K403A390-Y400 HydrophobicContact CB-CD2 3.83Å; A390-Y400 HydrophobicContact CB-CE2 3.85Å; A390-Y400 HydrophobicContact CB-CG 4.3Å; E396-Y400 HydrophobicContact CB-CD2 4.44Å; E396-Y400 HydrophobicContact CB-CE2 4.39Å; E396-Y400 WeakPolarHBondContact O-CD2 3.45Å; E396-Y400 PolarHBondContact O-N 3.09Å; E397-Y400 PolarHBondContact O-N 3.17Å; Y400-I402 VanDerWaalsContact C-N 3.28Å; Y400-I402 PolarHBondContact O-N 2.73Å; Y400-K403 PolarHBondContact O-N 3.15Å; Y400-K403 VanDerWaalsContact O-N 3.07Å
401F91.3Very high77.8Confident0 Ų053.9 Ų53.90%028%0.283CS..Hα-helixtrans-69.7-21.4-176.1-164-98.2000113.9L333 L334 A379 N382 F387 E397 L398 K403L333-F401 HydrophobicContact CB-CE1 3.6Å; L333-F401 HydrophobicContact CB-CZ 4.07Å; L334-F401 HydrophobicContact CB-CD1 3.99Å; L334-F401 HydrophobicContact CB-CD2 4.3Å; L334-F401 HydrophobicContact CB-CE1 4.17Å; L334-F401 HydrophobicContact CB-CE2 4.43Å; L334-F401 HydrophobicContact CB-CG 4.07Å; L334-F401 HydrophobicContact CB-CZ 4.38Å; L334-F401 HydrophobicContact CD1-CB 4.29Å; L334-F401 HydrophobicContact CD1-CD2 3.59Å; L334-F401 HydrophobicContact CD1-CE2 4.04Å; L334-F401 HydrophobicContact CD1-CG 3.96Å; A379-F401 VanDerWaalsContact CA-O 3.27Å; A379-F401 WeakPolarHBondContact CA-O 3.4Å; A379-F401 HydrophobicContact CB-CD1 3.99Å; A379-F401 HydrophobicContact CB-CE1 3.94Å; A379-F401 WeakPolarHBondContact O-CE1 3.41Å; N382-F401 HydrophobicContact CB-CD2 3.64Å; N382-F401 HydrophobicContact CB-CE1 4.34Å; N382-F401 HydrophobicContact CB-CE2 3.41Å; N382-F401 VanDerWaalsContact CB-CE2 3.41Å; N382-F401 HydrophobicContact CB-CG 4.23Å; N382-F401 HydrophobicContact CB-CZ 3.79Å; N382-F401 PolarHBondContact ND2-O 2.77Å; F387-F401 WeakPolarHBondContact O-CE2 3.35Å; E397-F401 WeakPolarHBondContact O-CB 3.3Å; E397-F401 PolarHBondContact O-N 2.97Å; L398-F401 PolarHBondContact O-N 3.36Å; F401-K403 VanDerWaalsContact C-N 3.32Å
402I93.2Very high76.7Confident4 Ų456.4 Ų56.42%0.02129%0.287CS..THydrogen-bonded Turntrans-90.69.4171.861.3152.7000114.1P142 I146 A330 A375 A378 A379 L398 Q399 Y400P142-I402 HydrophobicContact CB-CD1 3.85Å; I146-I402 HydrophobicContact CD1-CB 4.26Å; I146-I402 HydrophobicContact CD1-CD1 3.71Å; I146-I402 HydrophobicContact CD1-CG1 4Å; I146-I402 HydrophobicContact CD1-CG2 3.38Å; A330-I402 HydrophobicContact CB-CG2 3.78Å; A375-I402 HydrophobicContact CB-CB 4.12Å; A375-I402 HydrophobicContact CB-CD1 4.38Å; A378-I402 VanDerWaalsContact CB-O 3.22Å; A378-I402 WeakPolarHBondContact CB-O 3.3Å; A379-I402 HydrophobicContact CB-CG2 4.43Å; L398-I402 PolarHBondContact O-N 2.9Å; Q399-I402 WeakPolarHBondContact O-CG1 3.41Å; Y400-I402 VanDerWaalsContact C-N 3.28Å; Y400-I402 PolarHBondContact O-N 2.73Å
403K91.1Very high75.8Confident67 Ų6756.1 Ų56.129%0.29128%0.279SS..SBendtrans-112142.8171.1-66.9175.6-178.3173.70109.2D140 N382 Y400 F401D140-K403 WeakPolarHBondContact OD2-CE 3.48Å; D140-K403 IonicContact OD2-NZ 2.7Å; N382-K403 PolarHBondContact ND2-O 2.92Å; Y400-K403 PolarHBondContact O-N 3.15Å; Y400-K403 VanDerWaalsContact O-N 3.07Å; F401-K403 VanDerWaalsContact C-N 3.32Å
404P91.1Very high74.2Confident5 Ų559.4 Ų59.43%0.03229%0.293CS..  trans-58.2144-174.6-24.933.3000112.5A378 C406 Q459 Y462 S463 Y507A378-P404 HydrophobicContact CB-CG 4.02Å; P404-C406 PolarHBondContact O-N 2.77Å; P404-Q459 HydrophobicContact CG-CB 3.64Å; P404-Q459 HydrophobicContact CG-CG 3.84Å; P404-Y462 HydrophobicContact CB-CD1 3.45Å; P404-Y462 VanDerWaalsContact CB-CD1 3.45Å; P404-Y462 HydrophobicContact CB-CE1 3.67Å; P404-Y462 HydrophobicContact CG-CD1 4.34Å; P404-S463 WeakPolarHBondContact CG-OG 3.43Å; P404-Y507 HydrophobicContact CB-CE1 4.21Å
405P88.2Confident72.6Confident1 Ų160.2 Ų60.21%0.00630%0.299CS..  trans-62.4120.6-175.922.9-32.5000111.1A381 N382 V385 F387 Y462 L466 P534A381-P405 HydrophobicContact CB-CG 4.38Å; N382-P405 WeakPolarHBondContact OD1-CA 3.3Å; N382-P405 VanDerWaalsContact OD1-CB 3.24Å; N382-P405 WeakPolarHBondContact OD1-CB 3.41Å; V385-P405 HydrophobicContact CG2-CB 3.79Å; V385-P405 HydrophobicContact CG2-CG 3.69Å; F387-P405 HydrophobicContact CB-CB 3.96Å; F387-P405 HydrophobicContact CD1-CB 4.05Å; F387-P405 HydrophobicContact CD2-CB 4.47Å; F387-P405 HydrophobicContact CG-CB 3.93Å; P405-Y462 VanDerWaalsContact O-CE1 3.24Å; P405-Y462 WeakPolarHBondContact O-CE1 3.44Å; P405-Y462 PolarHBondContact O-OH 3.09Å; P405-L466 HydrophobicContact CG-CD1 3.55Å; P405-P534 HydrophobicContact CB-CB 3.97Å; P405-P534 HydrophobicContact CB-CG 4.1Å; P405-P534 HydrophobicContact CG-CG 4.24Å
406C85.6Confident70.7Confident19 Ų1959.5 Ų59.513%0.12830%0.296CS..  trans-137.1132.7175.7-173.40000108.7P404 N408P404-C406 PolarHBondContact O-N 2.77Å; C406-N408 PolarHBondContact O-N 3.44Å
407R77.9Confident68.7Low53 Ų5358.7 Ų58.720%0.230%0.299CS..  trans-78.1120.9175.4-173.1176.1179.1130.1-7.5109.3S532 D536 R539R407-S532 PolarHBondContact N-O 3.44Å; R407-D536 IonicContact NH1-OD1 3.37Å; R407-D536 PolarHBondContact NH1-OD1 3.16Å; R407-R539 VanDerWaalsContact NH1-NH1 3.2Å
408N67.2Low66.7Low83 Ų8364.6 Ų64.644%0.44433%0.325SS..  trans-90.7130.8169.4-72.9-9.9000109.2C406 N410 N411C406-N408 PolarHBondContact O-N 3.44Å; N408-N410 PolarHBondContact O-N 3.38Å; N408-N410 VanDerWaalsContact O-N 3.15Å; N408-N411 PolarHBondContact O-N 2.86Å
409H51.8Low64.6Low142 Ų14267.7 Ų67.766%0.65734%0.344SS*.THydrogen-bonded Turntrans-58.8-25.6175.3-66.1-71000113
410N48.4Very low62.7Low156 Ų15667.3 Ų67.383%0.83434%0.343SS*.THydrogen-bonded Turntrans-83.8-19.5-175-66.11.1000114.4N408N408-N410 PolarHBondContact O-N 3.38Å; N408-N410 VanDerWaalsContact O-N 3.15Å
411N46.2Very low61.1Low63 Ų6364 Ų6434%0.33734%0.335SS..  trans-111.8117.6-176-72-1.6000110N408 T413N408-N411 PolarHBondContact O-N 2.86Å; N411-T413 HydrophobicContact CB-CG2 3.87Å; N411-T413 PolarHBondContact O-N 3.14Å
412N39.6Very low59.8Low162 Ų16264.2 Ų64.287%0.86634%0.337SS*.  trans-66.364.9162.2-81.2-20.1000109.6M414N412-M414 PolarHBondContact O-N 3.44Å
413T45.4Very low58.6Low29 Ų2965.3 Ų65.318%0.17834%0.344CS..  trans-67.5122.817551.40000108.7N411 S415N411-T413 HydrophobicContact CB-CG2 3.87Å; N411-T413 PolarHBondContact O-N 3.14Å; T413-S415 PolarHBondContact O-N 3.39Å
414M41Very low58Low150 Ų15062.3 Ų62.374%0.73933%0.331SS*.  trans-69.391178.7-169.7-178.7155.600109.2N388 N412 I416N388-M414 PolarHBondContact OD1-O 3.04Å; N412-M414 PolarHBondContact O-N 3.44Å; M414-I416 PolarHBondContact O-N 2.93Å
415S45.8Very low57.5Low37 Ų3766.3 Ų66.326%0.25935%0.352SS..  trans-64.3123.3171.263.20000108.7T413 S417 K562T413-S415 PolarHBondContact O-N 3.39Å; S415-S417 PolarHBondContact O-N 3.45Å; S415-K562 PolarHBondContact O-NZ 3.1Å; S415-K562 WeakPolarHBondContact OG-CE 3.47Å; S415-K562 PolarHBondContact OG-NZ 2.79Å
416I42.8Very low57.5Low18 Ų1866.8 Ų66.89%0.09235%0.354CS..  trans-53.7127.1178.6-75.4174000109.3M340 N388 M414 K562M340-I416 HydrophobicContact CE-CB 4.04Å; M340-I416 HydrophobicContact CE-CD1 3.68Å; M340-I416 HydrophobicContact CE-CG1 3.74Å; M340-I416 HydrophobicContact CE-CG2 3.25Å; M340-I416 HydrophobicContact SD-CB 4.41Å; M340-I416 HydrophobicContact SD-CD1 4.09Å; M340-I416 HydrophobicContact SD-CG1 4.49Å; M340-I416 HydrophobicContact SD-CG2 3.25Å; M340-I416 WeakPolarHBondContact SD-CG2 3.11Å; N388-I416 HydrophobicContact CB-CD1 4.3Å; M414-I416 PolarHBondContact O-N 2.93Å; I416-K562 PolarHBondContact O-NZ 3.35Å
417S40.6Very low57.7Low63 Ų6365.9 Ų65.944%0.44135%0.348SS..  trans-93.67.9-163600000115.3S415S415-S417 PolarHBondContact O-N 3.45Å
418K45.6Very low58.1Low150 Ų15066.5 Ų66.565%0.65236%0.358SS*.SBendtrans-103.6127.8179.4-68.7-172.5178.3-178.60110.4I420K418-I420 VanDerWaalsContact C-N 3.34Å; K418-I420 HydrophobicContact CB-CD1 4.37Å; K418-I420 HydrophobicContact CB-CG1 4.14Å; K418-I420 PolarHBondContact O-N 3.49Å
419T44.8Very low59.2Low66 Ų6664 Ų6441%0.40535%0.35SS..  trans-55100161.7280000107.6V569 E632T419-V569 HydrophobicContact CG2-CG2 3.95Å; T419-E632 VanDerWaalsContact CG2-OE1 3.28Å; T419-E632 WeakPolarHBondContact CG2-OE1 3.45Å
420I50.1Low61.2Low36 Ų3663.8 Ų63.819%0.18535%0.353CS..  trans-113.9119.1172.4-59.2169.1000105.6M340 Y342 K418 V422M340-I420 HydrophobicContact CB-CD1 3.73Å; M340-I420 HydrophobicContact CG-CD1 4.2Å; M340-I420 HydrophobicContact SD-CD1 3.7Å; Y342-I420 HydrophobicContact CD2-CB 4.16Å; Y342-I420 HydrophobicContact CD2-CD1 3.9Å; Y342-I420 HydrophobicContact CD2-CG2 3.34Å; Y342-I420 HydrophobicContact CE2-CB 4.16Å; Y342-I420 HydrophobicContact CE2-CD1 3.35Å; Y342-I420 HydrophobicContact CE2-CG1 4.33Å; Y342-I420 HydrophobicContact CE2-CG2 3.85Å; Y342-I420 HydrophobicContact CG-CG2 3.91Å; K418-I420 VanDerWaalsContact C-N 3.34Å; K418-I420 HydrophobicContact CB-CD1 4.37Å; K418-I420 HydrophobicContact CB-CG1 4.14Å; K418-I420 PolarHBondContact O-N 3.49Å; I420-V422 VanDerWaalsContact C-N 3.3Å; I420-V422 PolarHBondContact O-N 3.23Å
421C55.5Low63.4Low39 Ų3961.9 Ų61.926%0.26433%0.334SS..  trans-67.794173.6-168.20000107.9C663 N667C421-C663 VanDerWaalsContact SG-CB 3.52Å; C421-C663 PolarHBondContact SG-SG 3.23Å; C421-N667 PolarHBondContact SG-ND2 3.22Å
422V63.4Low65.7Low6 Ų658.9 Ų58.94%0.03632%0.318CS..  trans-72.6136.6168.9178.70000107.3Y342 I347 T384 I420 Y424Y342-V422 HydrophobicContact CD1-CG2 3.77Å; Y342-V422 HydrophobicContact CE1-CG2 4.11Å; Y342-V422 HydrophobicContact CG-CG2 4.25Å; I347-V422 HydrophobicContact CD1-CG1 4.46Å; T384-V422 HydrophobicContact CG2-CG1 4.09Å; I420-V422 VanDerWaalsContact C-N 3.3Å; I420-V422 PolarHBondContact O-N 3.23Å; V422-Y424 HydrophobicContact CB-CD2 3.88Å; V422-Y424 HydrophobicContact CB-CE2 3.72Å; V422-Y424 HydrophobicContact CG1-CD2 4.08Å; V422-Y424 HydrophobicContact CG1-CE2 3.95Å; V422-Y424 WeakPolarHBondContact O-CD2 3.34Å; V422-Y424 PolarHBondContact O-N 3.31Å
423P68Low68.4Low26 Ų2654.5 Ų54.517%0.16929%0.289CS..  trans-7476.2-179.731.9-38.1000110.9P344 I347 D425 V426P344-P423 HydrophobicContact CB-CB 4.13Å; P344-P423 HydrophobicContact CB-CG 3.85Å; P344-P423 HydrophobicContact CG-CB 3.79Å; P344-P423 HydrophobicContact CG-CG 3.6Å; I347-P423 HydrophobicContact CD1-CG 4.17Å; P423-D425 PolarHBondContact O-N 3.48Å; P423-V426 HydrophobicContact CB-CG2 4.37Å; P423-V426 PolarHBondContact O-N 3.29Å
424Y79Confident70.8Confident4 Ų457 Ų572%0.01631%0.305CS..THydrogen-bonded Turntrans-63.9-20.1176.7-87-92.9000112.7T384 V422 V426 F427 R634 V637T384-Y424 VanDerWaalsContact C-OH 3.23Å; T384-Y424 WeakPolarHBondContact CB-OH 3.47Å; T384-Y424 PolarHBondContact O-OH 3.07Å; V422-Y424 HydrophobicContact CB-CD2 3.88Å; V422-Y424 HydrophobicContact CB-CE2 3.72Å; V422-Y424 HydrophobicContact CG1-CD2 4.08Å; V422-Y424 HydrophobicContact CG1-CE2 3.95Å; V422-Y424 WeakPolarHBondContact O-CD2 3.34Å; V422-Y424 PolarHBondContact O-N 3.31Å; Y424-V426 PolarHBondContact O-N 3.03Å; Y424-V426 VanDerWaalsContact O-N 3.07Å; Y424-F427 HydrophobicContact CD1-CD2 4.05Å; Y424-F427 HydrophobicContact CD1-CE2 4.44Å; Y424-F427 WeakPolarHBondContact O-CB 3.32Å; Y424-F427 PolarHBondContact O-N 2.85Å; Y424-R634 HydrophobicContact CD1-CB 4.14Å; Y424-R634 HydrophobicContact CD2-CB 3.6Å; Y424-R634 HydrophobicContact CE1-CB 3.96Å; Y424-R634 HydrophobicContact CE2-CB 3.42Å; Y424-R634 VanDerWaalsContact CE2-CB 3.42Å; Y424-R634 HydrophobicContact CE2-CG 4.46Å; Y424-R634 HydrophobicContact CG-CB 3.97Å; Y424-V637 HydrophobicContact CD1-CB 4.25Å; Y424-V637 HydrophobicContact CD1-CG1 4.14Å; Y424-V637 HydrophobicContact CD1-CG2 4.44Å
425D80.7Confident73.5Confident89 Ų8950.1 Ų50.148%0.47627%0.271SS..Hα-helixtrans-57.7-21.9174.7-48.2-11.9000112.8P423 F427 T428 N633P423-D425 PolarHBondContact O-N 3.48Å; D425-F427 VanDerWaalsContact C-N 3.26Å; D425-F427 PolarHBondContact O-N 3.32Å; D425-T428 PolarHBondContact O-N 2.82Å; D425-T428 PolarHBondContact O-OG1 3.29Å; D425-N633 PolarHBondContact OD1-ND2 2.98Å
426V87.9Confident76Confident11 Ų1148.4 Ų48.47%0.06726%0.259CS..Hα-helixtrans-63.4-36.1173.2179.30000111P344 I347 K348 L351 P423 Y424 T428 V432P344-V426 HydrophobicContact CB-CG2 3.8Å; I347-V426 HydrophobicContact CG2-CB 4.49Å; I347-V426 HydrophobicContact CG2-CG1 3.94Å; K348-V426 HydrophobicContact CG-CG1 3.88Å; L351-V426 HydrophobicContact CD1-CG1 4.22Å; P423-V426 HydrophobicContact CB-CG2 4.37Å; P423-V426 PolarHBondContact O-N 3.29Å; Y424-V426 PolarHBondContact O-N 3.03Å; Y424-V426 VanDerWaalsContact O-N 3.07Å; V426-T428 VanDerWaalsContact C-N 3.32Å; V426-T428 PolarHBondContact O-N 3.46Å; V426-V432 WeakPolarHBondContact O-CG2 3.42Å
427F89.3Confident78.5Confident0 Ų049.5 Ų49.50%027%0.268CS..Hα-helixtrans-79.2-14.9-175.7-59.1-65.9000113.8I347 L351 T384 Y424 D425 V432 R433 F436 F467I347-F427 HydrophobicContact CD1-CE2 4.34Å; I347-F427 HydrophobicContact CD1-CZ 4.21Å; I347-F427 HydrophobicContact CG2-CE1 3.67Å; I347-F427 HydrophobicContact CG2-CE2 4.42Å; I347-F427 HydrophobicContact CG2-CZ 3.53Å; L351-F427 HydrophobicContact CD1-CE1 4.38Å; T384-F427 HydrophobicContact CG2-CE2 3.48Å; T384-F427 VanDerWaalsContact CG2-CE2 3.48Å; T384-F427 HydrophobicContact CG2-CZ 3.53Å; Y424-F427 HydrophobicContact CD1-CD2 4.05Å; Y424-F427 HydrophobicContact CD1-CE2 4.44Å; Y424-F427 WeakPolarHBondContact O-CB 3.32Å; Y424-F427 PolarHBondContact O-N 2.85Å; D425-F427 VanDerWaalsContact C-N 3.26Å; D425-F427 PolarHBondContact O-N 3.32Å; F427-V432 HydrophobicContact CD1-CG1 4.41Å; F427-R433 PolarHBondContact O-NE 3.1Å; F427-F436 HydrophobicContact CD1-CE2 4.49Å; F427-F436 AromaticContact CD1-CZ 3.92Å; F427-F436 HydrophobicContact CD1-CZ 3.92Å; F427-F467 HydrophobicContact CB-CB 4.24Å; F427-F467 HydrophobicContact CD1-CB 4.02Å; F427-F467 AromaticContact CD1-CD1 3.96Å; F427-F467 HydrophobicContact CD1-CD1 3.96Å; F427-F467 AromaticContact CD1-CG 3.96Å; F427-F467 HydrophobicContact CD1-CG 3.96Å; F427-F467 HydrophobicContact CD2-CD1 4.2Å; F427-F467 AromaticContact CE1-CD1 3.68Å; F427-F467 HydrophobicContact CE1-CD1 3.68Å; F427-F467 AromaticContact CE1-CE1 3.96Å; F427-F467 HydrophobicContact CE1-CE1 3.96Å; F427-F467 HydrophobicContact CE1-CG 4.03Å; F427-F467 AromaticContact CE2-CD1 3.97Å; F427-F467 HydrophobicContact CE2-CD1 3.97Å; F427-F467 HydrophobicContact CE2-CE1 4.39Å; F427-F467 HydrophobicContact CG-CB 4.05Å; F427-F467 HydrophobicContact CG-CD1 4.2Å; F427-F467 HydrophobicContact CG-CG 4.34Å; F427-F467 AromaticContact CZ-CD1 3.7Å; F427-F467 HydrophobicContact CZ-CD1 3.7Å; F427-F467 AromaticContact CZ-CE1 3.81Å; F427-F467 HydrophobicContact CZ-CE1 3.81Å; F427-F467 HydrophobicContact CZ-CG 4.48Å
428T86.2Confident81.2Confident66 Ų6649.8 Ų49.841%0.40527%0.265SS..Hα-helixtrans-88.6-13.6176.757.60000112.9D425 V426 V637D425-T428 PolarHBondContact O-N 2.82Å; D425-T428 PolarHBondContact O-OG1 3.29Å; V426-T428 VanDerWaalsContact C-N 3.32Å; V426-T428 PolarHBondContact O-N 3.46Å; T428-V637 HydrophobicContact CG2-CG2 4.03Å
429A91.2Very high83.6Confident32 Ų3242.6 Ų42.626%0.26423%0.234SC..SBendtrans-62.6141.4179.300000113.4W431 V432 R433A429-W431 VanDerWaalsContact C-N 3.33Å; A429-W431 PolarHBondContact O-N 3.26Å; A429-V432 HydrophobicContact CB-CG2 4.34Å; A429-V432 WeakPolarHBondContact O-CA 3.46Å; A429-V432 WeakPolarHBondContact O-CB 3.19Å; A429-V432 PolarHBondContact O-N 3.28Å; A429-R433 PolarHBondContact O-N 2.63Å
430D93.3Very high86.1Confident137 Ų13739.6 Ų39.673%0.73322%0.215SC*.Hα-helixtrans-55.1-42-173.6-61.4-27.4000114.1V432 R433 T434D430-V432 VanDerWaalsContact C-N 3.27Å; D430-V432 PolarHBondContact O-N 3.38Å; D430-R433 PolarHBondContact O-N 3.42Å; D430-T434 PolarHBondContact O-N 3.22Å; D430-T434 PolarHBondContact O-OG1 2.95Å
431W94.8Very high88.2Confident115 Ų11543.6 Ų43.644%0.43623%0.233SC..Hα-helixtrans-67.2-29.4178.973.5-89.8000112.1K348 L351 A429 L435K348-W431 HydrophobicContact CG-CZ2 4.12Å; L351-W431 HydrophobicContact CB-CH2 3.8Å; L351-W431 HydrophobicContact CB-CZ3 3.97Å; L351-W431 HydrophobicContact CD1-CH2 3.85Å; L351-W431 HydrophobicContact CD1-CZ2 4.5Å; L351-W431 HydrophobicContact CD1-CZ3 4.45Å; A429-W431 VanDerWaalsContact C-N 3.33Å; A429-W431 PolarHBondContact O-N 3.26Å; W431-L435 HydrophobicContact CZ3-CD2 4.39Å; W431-L435 WeakPolarHBondContact O-CB 3.45Å; W431-L435 PolarHBondContact O-N 3.42Å
432V95.4Very high90.1Very high0 Ų042.8 Ų42.80%023%0.225CC..Hα-helixtrans-74.9-41.2174.6-178.80000110.4L351 V426 F427 A429 D430 T434 L435 F436L351-V432 HydrophobicContact CD1-CG1 3.96Å; L351-V432 HydrophobicContact CD1-CG2 3.78Å; V426-V432 WeakPolarHBondContact O-CG2 3.42Å; F427-V432 HydrophobicContact CD1-CG1 4.41Å; A429-V432 HydrophobicContact CB-CG2 4.34Å; A429-V432 WeakPolarHBondContact O-CA 3.46Å; A429-V432 WeakPolarHBondContact O-CB 3.19Å; A429-V432 PolarHBondContact O-N 3.28Å; D430-V432 VanDerWaalsContact C-N 3.27Å; D430-V432 PolarHBondContact O-N 3.38Å; V432-T434 VanDerWaalsContact C-N 3.29Å; V432-T434 PolarHBondContact O-N 3.43Å; V432-L435 WeakPolarHBondContact O-CB 3.21Å; V432-L435 PolarHBondContact O-N 2.98Å; V432-L435 VanDerWaalsContact O-N 3.13Å; V432-F436 HydrophobicContact CG1-CD1 4.27Å; V432-F436 HydrophobicContact CG1-CD2 4.14Å; V432-F436 HydrophobicContact CG1-CE1 3.83Å; V432-F436 HydrophobicContact CG1-CE2 3.69Å; V432-F436 HydrophobicContact CG1-CG 4.45Å; V432-F436 HydrophobicContact CG1-CZ 3.54Å; V432-F436 WeakPolarHBondContact O-CG 3.3Å; V432-F436 PolarHBondContact O-N 3.05Å
433R95Very high91.6Very high70 Ų7043 Ų4326%0.26423%0.227SC..Hα-helixtrans-59.6-41.5173-62-54.8-167.2175.75.9111.7F427 A429 D430 F436 S437 G468F427-R433 PolarHBondContact O-NE 3.1Å; A429-R433 PolarHBondContact O-N 2.63Å; D430-R433 PolarHBondContact O-N 3.42Å; R433-F436 PolarHBondContact O-N 3Å; R433-S437 PolarHBondContact O-N 3.4Å; R433-G468 PolarHBondContact NH1-O 2.99Å; R433-G468 PolarHBondContact NH2-O 2.79Å
434T96.5Very high92.8Very high81 Ų8143.9 Ų43.950%0.49723%0.232SC..Hα-helixtrans-61.6-44.6172.9-55.40000111.4D430 V432 F436 S437 N438D430-T434 PolarHBondContact O-N 3.22Å; D430-T434 PolarHBondContact O-OG1 2.95Å; V432-T434 VanDerWaalsContact C-N 3.29Å; V432-T434 PolarHBondContact O-N 3.43Å; T434-F436 PolarHBondContact O-N 3.45Å; T434-S437 PolarHBondContact O-N 2.96Å; T434-N438 VanDerWaalsContact O-CG 3.24Å; T434-N438 PolarHBondContact O-N 2.87Å; T434-N438 PolarHBondContact O-ND2 3.33Å
435L97.5Very high93.3Very high7 Ų747.5 Ų47.54%0.03726%0.258CS..Hα-helixtrans-59.9-44.1175.6176.962.1000111.9L351 I354 L358 W431 V432 S437 N438 I439L351-L435 HydrophobicContact CB-CD2 3.84Å; L351-L435 HydrophobicContact CD2-CD2 4.08Å; L351-L435 WeakPolarHBondContact O-CD2 3.35Å; I354-L435 HydrophobicContact CG2-CD1 4.25Å; L358-L435 HydrophobicContact CD1-CD1 3.56Å; W431-L435 HydrophobicContact CZ3-CD2 4.39Å; W431-L435 WeakPolarHBondContact O-CB 3.45Å; W431-L435 PolarHBondContact O-N 3.42Å; V432-L435 WeakPolarHBondContact O-CB 3.21Å; V432-L435 PolarHBondContact O-N 2.98Å; V432-L435 VanDerWaalsContact O-N 3.13Å; L435-S437 VanDerWaalsContact C-N 3.34Å; L435-S437 PolarHBondContact O-N 3.38Å; L435-N438 WeakPolarHBondContact O-CB 3.17Å; L435-N438 PolarHBondContact O-N 3.4Å; L435-I439 HydrophobicContact CG-CD1 4.39Å; L435-I439 WeakPolarHBondContact O-CG1 3.4Å; L435-I439 PolarHBondContact O-N 3.15Å
436F97.6Very high93.7Very high0 Ų045 Ų450%024%0.244CC..Hα-helixtrans-64-38.4177.7-67.5-16.3000112.5L351 F427 V432 R433 T434 I439 C440 L464 F467 Y469L351-F436 HydrophobicContact CD2-CE1 4.14Å; F427-F436 HydrophobicContact CD1-CE2 4.49Å; F427-F436 AromaticContact CD1-CZ 3.92Å; F427-F436 HydrophobicContact CD1-CZ 3.92Å; V432-F436 HydrophobicContact CG1-CD1 4.27Å; V432-F436 HydrophobicContact CG1-CD2 4.14Å; V432-F436 HydrophobicContact CG1-CE1 3.83Å; V432-F436 HydrophobicContact CG1-CE2 3.69Å; V432-F436 HydrophobicContact CG1-CG 4.45Å; V432-F436 HydrophobicContact CG1-CZ 3.54Å; V432-F436 WeakPolarHBondContact O-CG 3.3Å; V432-F436 PolarHBondContact O-N 3.05Å; R433-F436 PolarHBondContact O-N 3Å; T434-F436 PolarHBondContact O-N 3.45Å; F436-I439 HydrophobicContact CD1-CD1 4.03Å; F436-I439 WeakPolarHBondContact O-CB 3.41Å; F436-I439 PolarHBondContact O-N 3.16Å; F436-C440 PolarHBondContact O-N 3.5Å; F436-C440 PolarHBondContact O-SG 3.43Å; F436-L464 HydrophobicContact CB-CD2 4.22Å; F436-L464 HydrophobicContact CD1-CD2 3.6Å; F436-L464 HydrophobicContact CD2-CD2 4.34Å; F436-L464 HydrophobicContact CE1-CD2 3.91Å; F436-L464 HydrophobicContact CG-CD2 3.81Å; F436-L464 HydrophobicContact CZ-CD2 4.39Å; F436-F467 HydrophobicContact CE1-CD2 4.28Å; F436-F467 HydrophobicContact CE2-CB 3.8Å; F436-F467 HydrophobicContact CE2-CD2 4.43Å; F436-F467 HydrophobicContact CE2-CG 4.5Å; F436-F467 HydrophobicContact CZ-CB 3.81Å; F436-F467 AromaticContact CZ-CD2 3.72Å; F436-F467 HydrophobicContact CZ-CD2 3.72Å; F436-F467 HydrophobicContact CZ-CG 4.02Å; F436-Y469 HydrophobicContact CB-CD1 4.05Å; F436-Y469 HydrophobicContact CB-CD2 3.7Å; F436-Y469 HydrophobicContact CB-CE1 4.15Å; F436-Y469 HydrophobicContact CB-CE2 3.77Å; F436-Y469 HydrophobicContact CB-CG 3.83Å; F436-Y469 AromaticContact CD2-CD2 3.77Å; F436-Y469 HydrophobicContact CD2-CD2 3.77Å; F436-Y469 AromaticContact CD2-CG 3.74Å; F436-Y469 HydrophobicContact CD2-CG 3.74Å; F436-Y469 HydrophobicContact CG-CD2 4.25Å; F436-Y469 HydrophobicContact CG-CG 4.2Å
437S96.7Very high93.6Very high42 Ų4251.4 Ų51.429%0.29427%0.273SS..Hα-helixtrans-61.4-44.4171.3-170.60000111.9R433 T434 L435 I439 C440 Q441 Y469R433-S437 PolarHBondContact O-N 3.4Å; T434-S437 PolarHBondContact O-N 2.96Å; L435-S437 VanDerWaalsContact C-N 3.34Å; L435-S437 PolarHBondContact O-N 3.38Å; S437-I439 VanDerWaalsContact C-N 3.31Å; S437-I439 PolarHBondContact O-N 3.21Å; S437-C440 WeakPolarHBondContact O-CB 3.29Å; S437-C440 PolarHBondContact O-N 3.14Å; S437-Q441 WeakPolarHBondContact O-CG 3.29Å; S437-Q441 PolarHBondContact O-N 3.13Å; S437-Y469 WeakPolarHBondContact CA-OH 3.23Å
438N96.3Very high93.4Very high68 Ų6852.7 Ų52.736%0.36428%0.279SS..Hα-helixtrans-62.8-35.5175.8-65.6-21000112.7L358 T434 L435 H442L358-N438 HydrophobicContact CD1-CB 4.09Å; T434-N438 VanDerWaalsContact O-CG 3.24Å; T434-N438 PolarHBondContact O-N 2.87Å; T434-N438 PolarHBondContact O-ND2 3.33Å; L435-N438 WeakPolarHBondContact O-CB 3.17Å; L435-N438 PolarHBondContact O-N 3.4Å; N438-H442 WeakPolarHBondContact O-CB 3.18Å; N438-H442 PolarHBondContact O-N 3.25Å
439I97.2Very high93.2Very high0 Ų054.1 Ų54.10%029%0.288CS..Hα-helixtrans-62.1-47.6171.8-66.4168.3000109.5I354 L358 I373 L377 L435 F436 S437 Q441 H442 V443 I460 L464I354-I439 HydrophobicContact CG2-CD1 3.79Å; I354-I439 HydrophobicContact CG2-CG1 4.02Å; L358-I439 HydrophobicContact CD1-CG1 3.72Å; I373-I439 HydrophobicContact CG2-CD1 4.4Å; I373-I439 HydrophobicContact CG2-CG1 4.41Å; I373-I439 HydrophobicContact CG2-CG2 4.1Å; L377-I439 HydrophobicContact CD1-CD1 4.2Å; L377-I439 HydrophobicContact CD1-CG2 4.37Å; L377-I439 HydrophobicContact CD2-CD1 4.2Å; L435-I439 HydrophobicContact CG-CD1 4.39Å; L435-I439 WeakPolarHBondContact O-CG1 3.4Å; L435-I439 PolarHBondContact O-N 3.15Å; F436-I439 HydrophobicContact CD1-CD1 4.03Å; F436-I439 WeakPolarHBondContact O-CB 3.41Å; F436-I439 PolarHBondContact O-N 3.16Å; S437-I439 VanDerWaalsContact C-N 3.31Å; S437-I439 PolarHBondContact O-N 3.21Å; I439-Q441 PolarHBondContact O-N 2.76Å; I439-H442 PolarHBondContact O-N 2.94Å; I439-V443 HydrophobicContact CG2-CG2 4.17Å; I439-V443 VanDerWaalsContact O-CG2 3.28Å; I439-V443 WeakPolarHBondContact O-CG2 3.49Å; I439-V443 PolarHBondContact O-N 3.22Å; I439-I460 HydrophobicContact CG2-CG2 4.07Å; I439-L464 HydrophobicContact CD1-CD2 4.5Å; I439-L464 HydrophobicContact CG2-CD1 4.43Å
440C97.1Very high92.7Very high3 Ų354.5 Ų54.52%0.0229%0.285CS..Hα-helixtrans-58.4-48.7179.5-63.90000111.2F436 S437 H442 V443 T444 Y469 L474F436-C440 PolarHBondContact O-N 3.5Å; F436-C440 PolarHBondContact O-SG 3.43Å; S437-C440 WeakPolarHBondContact O-CB 3.29Å; S437-C440 PolarHBondContact O-N 3.14Å; C440-H442 PolarHBondContact O-N 3.4Å; C440-V443 PolarHBondContact O-N 2.94Å; C440-T444 WeakPolarHBondContact O-CG2 3.47Å; C440-T444 PolarHBondContact O-N 2.97Å; C440-T444 PolarHBondContact O-OG1 2.87Å; C440-Y469 VanDerWaalsContact SG-CE1 3.56Å; C440-L474 HydrophobicContact CB-CD2 4.38Å; C440-L474 HydrophobicContact CB-CG 4.25Å
441Q94.7Very high92.2Very high119 Ų11949.8 Ų49.856%0.55626%0.257SS*.Hα-helixtrans-59.5-43.2176.8-69176.2-200112.7S437 I439 T444 S445S437-Q441 WeakPolarHBondContact O-CG 3.29Å; S437-Q441 PolarHBondContact O-N 3.13Å; I439-Q441 PolarHBondContact O-N 2.76Å; Q441-T444 PolarHBondContact O-OG1 3.1Å; Q441-S445 WeakPolarHBondContact O-CB 3.33Å; Q441-S445 PolarHBondContact O-N 2.98Å; Q441-S445 VanDerWaalsContact O-N 3.15Å
442H94.2Very high91.8Very high22 Ų2247.1 Ų47.110%0.10225%0.251CS..Hα-helixtrans-62.5-48.7177.5177.355.7000111.1L358 S361 N438 I439 C440 S445 Q446L358-H442 HydrophobicContact CD2-CB 3.54Å; S361-H442 VanDerWaalsContact CB-CE1 3.47Å; S361-H442 WeakPolarHBondContact CB-CE1 3.41Å; N438-H442 WeakPolarHBondContact O-CB 3.18Å; N438-H442 PolarHBondContact O-N 3.25Å; I439-H442 PolarHBondContact O-N 2.94Å; C440-H442 PolarHBondContact O-N 3.4Å; H442-S445 PolarHBondContact O-N 3.25Å; H442-S445 PolarHBondContact O-OG 3.12Å; H442-Q446 WeakPolarHBondContact O-CG 3.46Å
443V94.1Very high91.4Very high10 Ų1048.4 Ų48.46%0.06126%0.26CS..Hα-helixtrans-68.1-41.2-176.51770000111.3I439 C440 S445 Q446 L457 I460 L474I439-V443 HydrophobicContact CG2-CG2 4.17Å; I439-V443 VanDerWaalsContact O-CG2 3.28Å; I439-V443 WeakPolarHBondContact O-CG2 3.49Å; I439-V443 PolarHBondContact O-N 3.22Å; C440-V443 PolarHBondContact O-N 2.94Å; V443-S445 PolarHBondContact O-N 2.86Å; V443-Q446 PolarHBondContact O-N 3.01Å; V443-Q446 VanDerWaalsContact O-N 3.13Å; V443-L457 HydrophobicContact CG1-CD1 3.51Å; V443-I460 HydrophobicContact CG1-CD1 4.37Å; V443-I460 HydrophobicContact CG2-CD1 3.7Å; V443-L474 HydrophobicContact CB-CD2 3.92Å; V443-L474 HydrophobicContact CG1-CD2 3.88Å
444T93.4Very high91.2Very high45 Ų4545.2 Ų45.228%0.27625%0.249SC..Hα-helixtrans-67.2-22176.654.30000113.5C440 Q441 Q446 L474 H477C440-T444 WeakPolarHBondContact O-CG2 3.47Å; C440-T444 PolarHBondContact O-N 2.97Å; C440-T444 PolarHBondContact O-OG1 2.87Å; Q441-T444 PolarHBondContact O-OG1 3.1Å; T444-Q446 VanDerWaalsContact C-N 3.29Å; T444-L474 HydrophobicContact CG2-CD2 3.61Å; T444-H477 HydrophobicContact CG2-CB 4.21Å; T444-H477 PolarHBondContact O-CE1 3.49Å; T444-H477 PolarHBondContact O-ND1 2.94Å
445S90.6Very high90.9Very high81 Ų8143.5 Ų43.557%0.56623%0.234SC*.THydrogen-bonded Turntrans-77.1-12.7174.275.70000114Q441 H442 V443Q441-S445 WeakPolarHBondContact O-CB 3.33Å; Q441-S445 PolarHBondContact O-N 2.98Å; Q441-S445 VanDerWaalsContact O-N 3.15Å; H442-S445 PolarHBondContact O-N 3.25Å; H442-S445 PolarHBondContact O-OG 3.12Å; V443-S445 PolarHBondContact O-N 2.86Å
446Q88.5Confident90.7Very high37 Ų3743.4 Ų43.417%0.17323%0.234CC..SBendtrans-85.5143.5179.4-56-56.6-71.400110.7N368 H442 V443 T444N368-Q446 VanDerWaalsContact CG-OE1 3.29Å; H442-Q446 WeakPolarHBondContact O-CG 3.46Å; V443-Q446 PolarHBondContact O-N 3.01Å; V443-Q446 VanDerWaalsContact O-N 3.13Å; T444-Q446 VanDerWaalsContact C-N 3.29Å
447E85.2Confident90.6Very high145 Ų14543.6 Ų43.668%0.67824%0.235SC*.  trans-75133.5174.1-171.4174.9-169.400110.8V449E447-V449 HydrophobicContact CB-CG1 4.29Å; E447-V449 HydrophobicContact CG-CG1 3.83Å; E447-V449 PolarHBondContact O-N 3.34Å
448I85.6Confident90.5Very high27 Ų2741.6 Ų41.614%0.13822%0.221CC..  trans-90.897.8171.6-61-175.7000108.1L454 L457 H477 A481 L485I448-L454 HydrophobicContact CD1-CD1 4.17Å; I448-L454 HydrophobicContact CG2-CB 4.12Å; I448-L454 HydrophobicContact CG2-CD1 4.36Å; I448-L457 HydrophobicContact CD1-CD2 3.66Å; I448-H477 WeakPolarHBondContact CD1-CD2 3.46Å; I448-H477 VanDerWaalsContact CD1-NE2 3.3Å; I448-H477 WeakPolarHBondContact CD1-NE2 3.33Å; I448-A481 HydrophobicContact CB-CB 4.21Å; I448-A481 HydrophobicContact CD1-CB 3.56Å; I448-A481 HydrophobicContact CG1-CB 4.41Å; I448-A481 HydrophobicContact CG2-CB 4.15Å; I448-L485 HydrophobicContact CG2-CD1 4.14Å
449V81.5Confident90.5Very high96 Ų9638.9 Ų38.958%0.58221%0.206SC*.  trans-91.8-25.9-177.5-64.50000113E447E447-V449 HydrophobicContact CB-CG1 4.29Å; E447-V449 HydrophobicContact CG-CG1 3.83Å; E447-V449 PolarHBondContact O-N 3.34Å
450D81.5Confident90.5Very high39 Ų3938.9 Ų38.921%0.20921%0.206CC..SBendtrans-150.7176-171.977.4-20.3000112.5N452 S453 L454D450-N452 VanDerWaalsContact C-N 3.32Å; D450-N452 PolarHBondContact O-N 3.34Å; D450-N452 PolarHBondContact OD1-N 3.19Å; D450-N452 WeakPolarHBondContact OD2-CB 3.32Å; D450-N452 PolarHBondContact OD2-ND2 2.75Å; D450-S453 PolarHBondContact O-N 2.83Å; D450-S453 VanDerWaalsContact OD1-CB 3.23Å; D450-S453 WeakPolarHBondContact OD1-CB 3.13Å; D450-S453 PolarHBondContact OD1-N 3.05Å; D450-S453 PolarHBondContact OD1-OG 2.56Å; D450-L454 PolarHBondContact O-N 3.38Å
451Y83.4Confident90.5Very high38 Ų3838.7 Ų38.715%0.14921%0.205CC..Hα-helixtrans-66-30.3178.5178.2-89.4000112.9L454 K455 D500 L504Y451-L454 PolarHBondContact O-N 2.92Å; Y451-K455 HydrophobicContact CE1-CB 4.48Å; Y451-K455 HydrophobicContact CE1-CD 4.38Å; Y451-K455 WeakPolarHBondContact O-CB 3.46Å; Y451-K455 PolarHBondContact O-N 2.85Å; Y451-D500 HydrophobicContact CE1-CB 3.61Å; Y451-D500 WeakPolarHBondContact CE1-OD1 2.98Å; Y451-D500 HydrophobicContact CE2-CB 3.87Å; Y451-D500 WeakPolarHBondContact OH-CA 3.17Å; Y451-D500 WeakPolarHBondContact OH-CB 3.44Å; Y451-D500 PolarHBondContact OH-O 2.77Å; Y451-D500 PolarHBondContact OH-OD1 2.86Å; Y451-L504 HydrophobicContact CD2-CD1 3.81Å; Y451-L504 HydrophobicContact CE2-CD1 3.13Å; Y451-L504 HydrophobicContact CE2-CD2 4.31Å; Y451-L504 HydrophobicContact CE2-CG 3.58Å; Y451-L504 VanDerWaalsContact OH-CD2 3.26Å; Y451-L504 WeakPolarHBondContact OH-CD2 3.42Å; Y451-L504 WeakPolarHBondContact OH-CG 3.5Å
452N85.6Confident90.6Very high59 Ų5933 Ų3332%0.31618%0.179SC..Hα-helixtrans-67.6-38.3176-64.5-55000112.2D450 L454 K455 C456D450-N452 VanDerWaalsContact C-N 3.32Å; D450-N452 PolarHBondContact O-N 3.34Å; D450-N452 PolarHBondContact OD1-N 3.19Å; D450-N452 WeakPolarHBondContact OD2-CB 3.32Å; D450-N452 PolarHBondContact OD2-ND2 2.75Å; N452-L454 VanDerWaalsContact C-N 3.34Å; N452-K455 WeakPolarHBondContact O-CB 3.12Å; N452-K455 PolarHBondContact O-N 3.16Å; N452-C456 WeakPolarHBondContact O-CB 3.25Å; N452-C456 PolarHBondContact O-N 3.01Å
453S87.5Confident90.7Very high27 Ų2732 Ų3219%0.18917%0.174CC..Hα-helixtrans-63.3-43174-57.10000110.6D450 C456 L457D450-S453 PolarHBondContact O-N 2.83Å; D450-S453 VanDerWaalsContact OD1-CB 3.23Å; D450-S453 WeakPolarHBondContact OD1-CB 3.13Å; D450-S453 PolarHBondContact OD1-N 3.05Å; D450-S453 PolarHBondContact OD1-OG 2.56Å; S453-C456 WeakPolarHBondContact O-CB 3.37Å; S453-C456 PolarHBondContact O-N 3.2Å; S453-L457 PolarHBondContact O-N 2.72Å
454L90.5Very high90.8Very high3 Ų331.5 Ų31.52%0.01617%0.171CC..Hα-helixtrans-64.5-39.8175-168.368.5000112I448 D450 Y451 N452 L457 A458 F478 A481 I482 L485 L504I448-L454 HydrophobicContact CD1-CD1 4.17Å; I448-L454 HydrophobicContact CG2-CB 4.12Å; I448-L454 HydrophobicContact CG2-CD1 4.36Å; D450-L454 PolarHBondContact O-N 3.38Å; Y451-L454 PolarHBondContact O-N 2.92Å; N452-L454 VanDerWaalsContact C-N 3.34Å; L454-L457 HydrophobicContact CD1-CD2 4.5Å; L454-L457 WeakPolarHBondContact O-CB 3.19Å; L454-L457 PolarHBondContact O-N 2.84Å; L454-A458 PolarHBondContact O-N 2.93Å; L454-F478 HydrophobicContact CD1-CD2 3.52Å; L454-F478 HydrophobicContact CD1-CE2 3.76Å; L454-F478 HydrophobicContact CD1-CG 4.28Å; L454-F478 HydrophobicContact CD2-CE2 4.16Å; L454-F478 HydrophobicContact CG-CD2 3.99Å; L454-F478 HydrophobicContact CG-CE2 3.7Å; L454-A481 HydrophobicContact CD1-CB 3.94Å; L454-I482 HydrophobicContact CD2-CB 4.31Å; L454-I482 HydrophobicContact CD2-CG1 4.2Å; L454-L485 HydrophobicContact CB-CD1 4.41Å; L454-L485 HydrophobicContact CD2-CD1 3.99Å; L454-L504 HydrophobicContact CB-CD1 4.11Å; L454-L504 HydrophobicContact CD2-CD1 3.55Å; L454-L504 HydrophobicContact CG-CD1 3.72Å
455K91Very high90.9Very high46 Ų4629.4 Ų29.420%0.216%0.158CC..Hα-helixtrans-61.1-46.4174.2-175.7172.5-177.3163.80112.5Y451 N452 L457 A458 Q459 L504Y451-K455 HydrophobicContact CE1-CB 4.48Å; Y451-K455 HydrophobicContact CE1-CD 4.38Å; Y451-K455 WeakPolarHBondContact O-CB 3.46Å; Y451-K455 PolarHBondContact O-N 2.85Å; N452-K455 WeakPolarHBondContact O-CB 3.12Å; N452-K455 PolarHBondContact O-N 3.16Å; K455-L457 VanDerWaalsContact C-N 3.31Å; K455-L457 PolarHBondContact O-N 3.39Å; K455-A458 PolarHBondContact O-N 2.87Å; K455-Q459 WeakPolarHBondContact O-CB 3.38Å; K455-Q459 VanDerWaalsContact O-CG 3.31Å; K455-Q459 WeakPolarHBondContact O-CG 3.18Å; K455-Q459 PolarHBondContact O-N 3.09Å; K455-L504 VanDerWaalsContact CA-CD2 3.5Å; K455-L504 HydrophobicContact CB-CD2 3.65Å; K455-L504 HydrophobicContact CG-CD2 3.74Å
456C92.4Very high91.1Very high5 Ų525.6 Ų25.63%0.03413%0.131CC..Hα-helixtrans-57.8-44.7175.5-173.90000111.1N452 S453 Q459 I460N452-C456 WeakPolarHBondContact O-CB 3.25Å; N452-C456 PolarHBondContact O-N 3.01Å; S453-C456 WeakPolarHBondContact O-CB 3.37Å; S453-C456 PolarHBondContact O-N 3.2Å; C456-Q459 PolarHBondContact O-N 3.28Å; C456-I460 VanDerWaalsContact O-CG1 3.25Å; C456-I460 WeakPolarHBondContact O-CG1 3.25Å; C456-I460 PolarHBondContact O-N 2.73Å
457L95Very high91.3Very high3 Ų323.8 Ų23.82%0.01612%0.123CC..Hα-helixtrans-59.2-48.9176.6175.867.5000112V443 I448 S453 L454 K455 Q459 I460 T461 L474 H477 F478V443-L457 HydrophobicContact CG1-CD1 3.51Å; I448-L457 HydrophobicContact CD1-CD2 3.66Å; S453-L457 PolarHBondContact O-N 2.72Å; L454-L457 HydrophobicContact CD1-CD2 4.5Å; L454-L457 WeakPolarHBondContact O-CB 3.19Å; L454-L457 PolarHBondContact O-N 2.84Å; K455-L457 VanDerWaalsContact C-N 3.31Å; K455-L457 PolarHBondContact O-N 3.39Å; L457-Q459 VanDerWaalsContact C-N 3.34Å; L457-Q459 PolarHBondContact O-N 3.08Å; L457-I460 PolarHBondContact O-N 3.46Å; L457-T461 WeakPolarHBondContact O-CB 3.45Å; L457-T461 PolarHBondContact O-N 2.95Å; L457-T461 PolarHBondContact O-OG1 3.36Å; L457-L474 HydrophobicContact CD1-CB 3.92Å; L457-L474 HydrophobicContact CD1-CD1 4.48Å; L457-L474 HydrophobicContact CD1-CD2 3.59Å; L457-L474 HydrophobicContact CD1-CG 4.2Å; L457-H477 HydrophobicContact CD2-CB 4.39Å; L457-F478 HydrophobicContact CD2-CB 3.68Å; L457-F478 HydrophobicContact CD2-CD2 4.22Å; L457-F478 HydrophobicContact CD2-CG 4.47Å; L457-F478 HydrophobicContact CG-CB 4.43Å
458A95.3Very high91.6Very high0 Ų017.5 Ų17.50%010%0.097CC..Hα-helixtrans-61.9-42.2-179.500000111.9L454 K455 T461 Y462 F478 L504 Y507 I508L454-A458 PolarHBondContact O-N 2.93Å; K455-A458 PolarHBondContact O-N 2.87Å; A458-T461 PolarHBondContact O-N 3.39Å; A458-Y462 WeakPolarHBondContact O-CB 3.46Å; A458-Y462 PolarHBondContact O-N 3.34Å; A458-F478 HydrophobicContact CB-CD2 4.2Å; A458-F478 HydrophobicContact CB-CE2 3.88Å; A458-L504 HydrophobicContact CB-CD2 4.45Å; A458-Y507 HydrophobicContact CB-CD2 4.5Å; A458-I508 HydrophobicContact CB-CD1 4.14Å; A458-I508 HydrophobicContact CB-CG1 4.23Å
459Q95.4Very high92.1Very high11 Ų1118.2 Ų18.25%0.05110%0.098CC..Hα-helixtrans-67.1-39.3178.3-74-177.2-17.100113.2N374 P404 K455 C456 L457 S463 Y507N374-Q459 PolarHBondContact ND2-OE1 3.48Å; N374-Q459 VanDerWaalsContact OD1-CB 3.23Å; N374-Q459 WeakPolarHBondContact OD1-CB 3.32Å; P404-Q459 HydrophobicContact CG-CB 3.64Å; P404-Q459 HydrophobicContact CG-CG 3.84Å; K455-Q459 WeakPolarHBondContact O-CB 3.38Å; K455-Q459 VanDerWaalsContact O-CG 3.31Å; K455-Q459 WeakPolarHBondContact O-CG 3.18Å; K455-Q459 PolarHBondContact O-N 3.09Å; C456-Q459 PolarHBondContact O-N 3.28Å; L457-Q459 VanDerWaalsContact C-N 3.34Å; L457-Q459 PolarHBondContact O-N 3.08Å; Q459-S463 WeakPolarHBondContact O-CB 3.32Å; Q459-S463 PolarHBondContact O-N 2.91Å; Q459-S463 PolarHBondContact O-OG 3.04Å; Q459-Y507 HydrophobicContact CG-CD2 4.01Å; Q459-Y507 HydrophobicContact CG-CE2 3.72Å
460I97.2Very high92.6Very high0 Ų019 Ų190%09%0.094CC..Hα-helixtrans-63.2-47.8173.2-70.8170.6000109.9N374 L377 I439 V443 C456 L457 Y462 S463 L464 L474N374-I460 HydrophobicContact CB-CD1 4.06Å; N374-I460 HydrophobicContact CB-CG1 3.71Å; L377-I460 HydrophobicContact CD1-CG2 4.1Å; I439-I460 HydrophobicContact CG2-CG2 4.07Å; V443-I460 HydrophobicContact CG1-CD1 4.37Å; V443-I460 HydrophobicContact CG2-CD1 3.7Å; C456-I460 VanDerWaalsContact O-CG1 3.25Å; C456-I460 WeakPolarHBondContact O-CG1 3.25Å; C456-I460 PolarHBondContact O-N 2.73Å; L457-I460 PolarHBondContact O-N 3.46Å; I460-Y462 PolarHBondContact O-N 3.48Å; I460-S463 PolarHBondContact O-N 3.24Å; I460-L464 HydrophobicContact CG2-CD1 3.98Å; I460-L464 HydrophobicContact CG2-CG 4.34Å; I460-L464 WeakPolarHBondContact O-CG 3.4Å; I460-L464 PolarHBondContact O-N 3.21Å; I460-L474 HydrophobicContact CG2-CD1 3.96Å
461T97.5Very high93.2Very high0 Ų017.3 Ų17.30%09%0.085CC..Hα-helixtrans-56.4-50-179.8-56.10000110.9L457 A458 L464 S465 L474 I475 I508 A511L457-T461 WeakPolarHBondContact O-CB 3.45Å; L457-T461 PolarHBondContact O-N 2.95Å; L457-T461 PolarHBondContact O-OG1 3.36Å; A458-T461 PolarHBondContact O-N 3.39Å; T461-L464 PolarHBondContact O-N 3.17Å; T461-S465 PolarHBondContact O-N 2.84Å; T461-S465 PolarHBondContact O-OG 3.5Å; T461-L474 HydrophobicContact CG2-CB 4.42Å; T461-L474 WeakPolarHBondContact OG1-CB 3.3Å; T461-I475 HydrophobicContact CG2-CD1 4.46Å; T461-I475 HydrophobicContact CG2-CG1 3.74Å; T461-I508 HydrophobicContact CG2-CD1 4.08Å; T461-A511 HydrophobicContact CG2-CB 4.11Å
462Y97Very high93.8Very high0 Ų018.6 Ų18.60%010%0.095CC..Hα-helixtrans-63.2-42.7177.2173.4-124000113P404 P405 A458 I460 L464 S465 L466 Y507 M510 A511 L514 P534P404-Y462 HydrophobicContact CB-CD1 3.45Å; P404-Y462 VanDerWaalsContact CB-CD1 3.45Å; P404-Y462 HydrophobicContact CB-CE1 3.67Å; P404-Y462 HydrophobicContact CG-CD1 4.34Å; P405-Y462 VanDerWaalsContact O-CE1 3.24Å; P405-Y462 WeakPolarHBondContact O-CE1 3.44Å; P405-Y462 PolarHBondContact O-OH 3.09Å; A458-Y462 WeakPolarHBondContact O-CB 3.46Å; A458-Y462 PolarHBondContact O-N 3.34Å; I460-Y462 PolarHBondContact O-N 3.48Å; Y462-L464 VanDerWaalsContact C-N 3.33Å; Y462-L464 PolarHBondContact O-N 2.66Å; Y462-S465 WeakPolarHBondContact O-CB 3.43Å; Y462-S465 PolarHBondContact O-N 2.92Å; Y462-L466 HydrophobicContact CD1-CD1 4.36Å; Y462-L466 HydrophobicContact CE1-CD1 3.85Å; Y462-L466 HydrophobicContact CE2-CD1 4.16Å; Y462-L466 HydrophobicContact CE2-CD2 4.23Å; Y462-L466 HydrophobicContact CE2-CG 4.05Å; Y462-L466 PolarHBondContact O-N 2.79Å; Y462-Y507 AromaticContact CD1-CD1 3.49Å; Y462-Y507 HydrophobicContact CD1-CD1 3.49Å; Y462-Y507 VanDerWaalsContact CD1-CD1 3.49Å; Y462-Y507 AromaticContact CD1-CE1 3.89Å; Y462-Y507 HydrophobicContact CD1-CE1 3.89Å; Y462-Y507 HydrophobicContact CE1-CD1 4.08Å; Y462-Y507 HydrophobicContact CE1-CE1 4.19Å; Y462-Y507 AromaticContact CG-CD1 3.97Å; Y462-Y507 HydrophobicContact CG-CD1 3.97Å; Y462-M510 HydrophobicContact CD1-CE 4.43Å; Y462-M510 HydrophobicContact CD2-CB 3.86Å; Y462-M510 HydrophobicContact CD2-CE 4.44Å; Y462-M510 HydrophobicContact CE1-CE 4.07Å; Y462-M510 HydrophobicContact CE2-CB 3.68Å; Y462-M510 HydrophobicContact CE2-CE 4.08Å; Y462-M510 HydrophobicContact CE2-SD 4.33Å; Y462-A511 HydrophobicContact CD2-CB 4.49Å; Y462-L514 HydrophobicContact CD2-CD1 4.01Å; Y462-L514 HydrophobicContact CE2-CD1 3.56Å; Y462-P534 VanDerWaalsContact OH-CD 3.25Å; Y462-P534 WeakPolarHBondContact OH-CD 3.24Å
463S96.2Very high94.3Very high0 Ų018.4 Ų18.40%010%0.098CC..Hα-helixtrans-62.9-39.4178.3-56.90000112P404 Q459 I460 L466 F467P404-S463 WeakPolarHBondContact CG-OG 3.43Å; Q459-S463 WeakPolarHBondContact O-CB 3.32Å; Q459-S463 PolarHBondContact O-N 2.91Å; Q459-S463 PolarHBondContact O-OG 3.04Å; I460-S463 PolarHBondContact O-N 3.24Å; S463-L466 WeakPolarHBondContact O-CB 3.38Å; S463-L466 PolarHBondContact O-N 3.09Å; S463-F467 WeakPolarHBondContact O-CD2 3.23Å; S463-F467 VanDerWaalsContact O-CE2 3.32Å; S463-F467 WeakPolarHBondContact O-CE2 3.46Å; S463-F467 PolarHBondContact O-N 3.37Å
464L96.8Very high94.7Very high0 Ų017.1 Ų17.10%09%0.089CC..Hα-helixtrans-65.4-39174.1-69.7177.1000112.1L377 F436 I439 I460 T461 Y462 L466 F467 G468 Y469 A471 L474L377-L464 HydrophobicContact CD1-CD2 4.26Å; L377-L464 HydrophobicContact CD1-CG 4.5Å; L377-L464 HydrophobicContact CD2-CD2 4.38Å; F436-L464 HydrophobicContact CB-CD2 4.22Å; F436-L464 HydrophobicContact CD1-CD2 3.6Å; F436-L464 HydrophobicContact CD2-CD2 4.34Å; F436-L464 HydrophobicContact CE1-CD2 3.91Å; F436-L464 HydrophobicContact CG-CD2 3.81Å; F436-L464 HydrophobicContact CZ-CD2 4.39Å; I439-L464 HydrophobicContact CD1-CD2 4.5Å; I439-L464 HydrophobicContact CG2-CD1 4.43Å; I460-L464 HydrophobicContact CG2-CD1 3.98Å; I460-L464 HydrophobicContact CG2-CG 4.34Å; I460-L464 WeakPolarHBondContact O-CG 3.4Å; I460-L464 PolarHBondContact O-N 3.21Å; T461-L464 PolarHBondContact O-N 3.17Å; Y462-L464 VanDerWaalsContact C-N 3.33Å; Y462-L464 PolarHBondContact O-N 2.66Å; L464-L466 VanDerWaalsContact C-N 3.3Å; L464-L466 PolarHBondContact O-N 3.2Å; L464-F467 CarbonylContact O-C 3.59Å; L464-F467 WeakPolarHBondContact O-CA 3.3Å; L464-F467 PolarHBondContact O-N 2.95Å; L464-G468 PolarHBondContact O-N 2.6Å; L464-Y469 CarbonylContact C-O 3.52Å; L464-Y469 HydrophobicContact CB-CD1 4.22Å; L464-Y469 HydrophobicContact CD1-CD1 4.24Å; L464-Y469 PolarHBondContact O-N 3.5Å; L464-A471 HydrophobicContact CD1-CB 4.15Å; L464-L474 HydrophobicContact CD1-CD1 3.99Å
465S95.7Very high94.9Very high1 Ų117.9 Ų17.91%0.0079%0.092CC..Hα-helixtrans-62.4-34.8174.2-69.80000112.9T461 Y462 F467 G468 A511 L515T461-S465 PolarHBondContact O-N 2.84Å; T461-S465 PolarHBondContact O-OG 3.5Å; Y462-S465 WeakPolarHBondContact O-CB 3.43Å; Y462-S465 PolarHBondContact O-N 2.92Å; S465-F467 PolarHBondContact O-N 3.08Å; S465-G468 WeakPolarHBondContact O-CA 3.24Å; S465-G468 PolarHBondContact O-N 3.48Å; S465-A511 WeakPolarHBondContact OG-CB 3.03Å; S465-A511 PolarHBondContact OG-O 3.08Å; S465-A511 VanDerWaalsContact OG-O 3.05Å; S465-L515 WeakPolarHBondContact OG-CD1 3.27Å
466L93.6Very high95.1Very high0 Ų021 Ų210%011%0.108CC..Hα-helixtrans-63.6-26173.2-72.4168.5000112.9A381 V385 P405 Y462 S463 L464 G468 L514 P534 W538A381-L466 HydrophobicContact CB-CD1 3.77Å; V385-L466 HydrophobicContact CG1-CD2 4.17Å; P405-L466 HydrophobicContact CG-CD1 3.55Å; Y462-L466 HydrophobicContact CD1-CD1 4.36Å; Y462-L466 HydrophobicContact CE1-CD1 3.85Å; Y462-L466 HydrophobicContact CE2-CD1 4.16Å; Y462-L466 HydrophobicContact CE2-CD2 4.23Å; Y462-L466 HydrophobicContact CE2-CG 4.05Å; Y462-L466 PolarHBondContact O-N 2.79Å; S463-L466 WeakPolarHBondContact O-CB 3.38Å; S463-L466 PolarHBondContact O-N 3.09Å; L464-L466 VanDerWaalsContact C-N 3.3Å; L464-L466 PolarHBondContact O-N 3.2Å; L466-G468 VanDerWaalsContact C-N 3.28Å; L466-L514 HydrophobicContact CD2-CD1 3.48Å; L466-L514 VanDerWaalsContact CD2-CD1 3.48Å; L466-L514 HydrophobicContact CD2-CD2 4.42Å; L466-L514 HydrophobicContact CG-CD1 3.81Å; L466-P534 HydrophobicContact CD2-CG 4.4Å; L466-W538 HydrophobicContact CD2-CH2 3.83Å; L466-W538 HydrophobicContact CD2-CZ3 3.61Å
467F93.2Very high95.2Very high0 Ų023 Ų230%012%0.117CC..THydrogen-bonded Turntrans-89.811.4171.5-50.6-46.9000113L377 L380 A381 T384 F427 F436 S463 L464 S465 Y469 V637L377-F467 HydrophobicContact CD2-CE2 3.91Å; L377-F467 WeakPolarHBondContact O-CZ 3.34Å; L380-F467 HydrophobicContact CB-CE1 4.32Å; L380-F467 HydrophobicContact CB-CZ 3.71Å; A381-F467 HydrophobicContact CB-CE1 4.17Å; A381-F467 HydrophobicContact CB-CZ 3.84Å; T384-F467 HydrophobicContact CG2-CE1 4.12Å; F427-F467 HydrophobicContact CB-CB 4.24Å; F427-F467 HydrophobicContact CD1-CB 4.02Å; F427-F467 AromaticContact CD1-CD1 3.96Å; F427-F467 HydrophobicContact CD1-CD1 3.96Å; F427-F467 AromaticContact CD1-CG 3.96Å; F427-F467 HydrophobicContact CD1-CG 3.96Å; F427-F467 HydrophobicContact CD2-CD1 4.2Å; F427-F467 AromaticContact CE1-CD1 3.68Å; F427-F467 HydrophobicContact CE1-CD1 3.68Å; F427-F467 AromaticContact CE1-CE1 3.96Å; F427-F467 HydrophobicContact CE1-CE1 3.96Å; F427-F467 HydrophobicContact CE1-CG 4.03Å; F427-F467 AromaticContact CE2-CD1 3.97Å; F427-F467 HydrophobicContact CE2-CD1 3.97Å; F427-F467 HydrophobicContact CE2-CE1 4.39Å; F427-F467 HydrophobicContact CG-CB 4.05Å; F427-F467 HydrophobicContact CG-CD1 4.2Å; F427-F467 HydrophobicContact CG-CG 4.34Å; F427-F467 AromaticContact CZ-CD1 3.7Å; F427-F467 HydrophobicContact CZ-CD1 3.7Å; F427-F467 AromaticContact CZ-CE1 3.81Å; F427-F467 HydrophobicContact CZ-CE1 3.81Å; F427-F467 HydrophobicContact CZ-CG 4.48Å; F436-F467 HydrophobicContact CE1-CD2 4.28Å; F436-F467 HydrophobicContact CE2-CB 3.8Å; F436-F467 HydrophobicContact CE2-CD2 4.43Å; F436-F467 HydrophobicContact CE2-CG 4.5Å; F436-F467 HydrophobicContact CZ-CB 3.81Å; F436-F467 AromaticContact CZ-CD2 3.72Å; F436-F467 HydrophobicContact CZ-CD2 3.72Å; F436-F467 HydrophobicContact CZ-CG 4.02Å; S463-F467 WeakPolarHBondContact O-CD2 3.23Å; S463-F467 VanDerWaalsContact O-CE2 3.32Å; S463-F467 WeakPolarHBondContact O-CE2 3.46Å; S463-F467 PolarHBondContact O-N 3.37Å; L464-F467 CarbonylContact O-C 3.59Å; L464-F467 WeakPolarHBondContact O-CA 3.3Å; L464-F467 PolarHBondContact O-N 2.95Å; S465-F467 PolarHBondContact O-N 3.08Å; F467-Y469 VanDerWaalsContact C-N 3.34Å; F467-Y469 PolarHBondContact O-N 3.24Å; F467-V637 VanDerWaalsContact O-CG1 3.28Å; F467-V637 WeakPolarHBondContact O-CG1 3.36Å
468G92.2Very high95.1Very high13 Ų1322.9 Ų22.913%0.13412%0.116CC..THydrogen-bonded Turntrans69.128.2179.600000113.7R433 L464 S465 L466 V637R433-G468 PolarHBondContact NH1-O 2.99Å; R433-G468 PolarHBondContact NH2-O 2.79Å; L464-G468 PolarHBondContact O-N 2.6Å; S465-G468 WeakPolarHBondContact O-CA 3.24Å; S465-G468 PolarHBondContact O-N 3.48Å; L466-G468 VanDerWaalsContact C-N 3.28Å; G468-V637 WeakPolarHBondContact CA-O 3.32Å
469Y94.7Very high95Very high42 Ų4225.6 Ų25.617%0.16513%0.131CC..  trans-106.9121176.7-175.3-91.6000111.3F436 S437 C440 L464 F467 A471 L515F436-Y469 HydrophobicContact CB-CD1 4.05Å; F436-Y469 HydrophobicContact CB-CD2 3.7Å; F436-Y469 HydrophobicContact CB-CE1 4.15Å; F436-Y469 HydrophobicContact CB-CE2 3.77Å; F436-Y469 HydrophobicContact CB-CG 3.83Å; F436-Y469 AromaticContact CD2-CD2 3.77Å; F436-Y469 HydrophobicContact CD2-CD2 3.77Å; F436-Y469 AromaticContact CD2-CG 3.74Å; F436-Y469 HydrophobicContact CD2-CG 3.74Å; F436-Y469 HydrophobicContact CG-CD2 4.25Å; F436-Y469 HydrophobicContact CG-CG 4.2Å; S437-Y469 WeakPolarHBondContact CA-OH 3.23Å; C440-Y469 VanDerWaalsContact SG-CE1 3.56Å; L464-Y469 CarbonylContact C-O 3.52Å; L464-Y469 HydrophobicContact CB-CD1 4.22Å; L464-Y469 HydrophobicContact CD1-CD1 4.24Å; L464-Y469 PolarHBondContact O-N 3.5Å; F467-Y469 VanDerWaalsContact C-N 3.34Å; F467-Y469 PolarHBondContact O-N 3.24Å; Y469-A471 HydrophobicContact CD1-CB 4.04Å; Y469-A471 HydrophobicContact CE1-CB 4.03Å; Y469-A471 PolarHBondContact O-N 3.01Å; Y469-L515 WeakPolarHBondContact O-CD1 3.42Å
470K93.4Very high94.8Very high113 Ų11331.9 Ų31.949%0.49116%0.158SC..  trans-8495.2179.9-161.2-174.2-178.3-124.70111.2D472 L515K470-D472 VanDerWaalsContact C-N 3.29Å; K470-D472 WeakPolarHBondContact CD-OD2 3.41Å; K470-D472 WeakPolarHBondContact CE-OD1 3.46Å; K470-D472 WeakPolarHBondContact CE-OD2 3.41Å; K470-D472 WeakPolarHBondContact CG-OD1 3.38Å; K470-D472 IonicContact NZ-OD1 3.73Å; K470-D472 PolarHBondContact NZ-OD1 2.98Å; K470-D472 IonicContact NZ-OD2 3Å; K470-D472 PolarHBondContact NZ-OD2 2.9Å; K470-D472 PolarHBondContact O-N 3.2Å; K470-D472 VanDerWaalsContact O-N 3.1Å; K470-L515 HydrophobicContact CB-CD1 3.73Å; K470-L515 HydrophobicContact CG-CD1 3.9Å
471A93.9Very high94.5Very high2 Ų232.4 Ų32.42%0.01716%0.162CC..  trans-85.859.6-178.100000112.9L464 Y469 S473 L474 I475L464-A471 HydrophobicContact CD1-CB 4.15Å; Y469-A471 HydrophobicContact CD1-CB 4.04Å; Y469-A471 HydrophobicContact CE1-CB 4.03Å; Y469-A471 PolarHBondContact O-N 3.01Å; A471-S473 VanDerWaalsContact C-N 3.27Å; A471-S473 PolarHBondContact O-N 3.34Å; A471-L474 HydrophobicContact CB-CB 4.14Å; A471-L474 HydrophobicContact CB-CD1 3.84Å; A471-L474 HydrophobicContact CB-CG 4.06Å; A471-L474 PolarHBondContact O-N 2.89Å; A471-I475 PolarHBondContact O-N 3.04Å
472D94.9Very high94.1Very high66 Ų6633 Ų3335%0.35317%0.165SC..Hα-helixtrans-53.1-42.9-176.6-71-34.1000112.5K470 L474 I475 E476K470-D472 VanDerWaalsContact C-N 3.29Å; K470-D472 WeakPolarHBondContact CD-OD2 3.41Å; K470-D472 WeakPolarHBondContact CE-OD1 3.46Å; K470-D472 WeakPolarHBondContact CE-OD2 3.41Å; K470-D472 WeakPolarHBondContact CG-OD1 3.38Å; K470-D472 IonicContact NZ-OD1 3.73Å; K470-D472 PolarHBondContact NZ-OD1 2.98Å; K470-D472 IonicContact NZ-OD2 3Å; K470-D472 PolarHBondContact NZ-OD2 2.9Å; K470-D472 PolarHBondContact O-N 3.2Å; K470-D472 VanDerWaalsContact O-N 3.1Å; D472-L474 VanDerWaalsContact C-N 3.27Å; D472-L474 PolarHBondContact O-N 3.41Å; D472-I475 PolarHBondContact O-N 3.33Å; D472-I475 VanDerWaalsContact O-N 3.13Å; D472-E476 PolarHBondContact O-N 3.43Å
473S96Very high93.6Very high54 Ų5439.8 Ų39.838%0.37820%0.195SC..Hα-helixtrans-58.2-32.8176.2620000114.7A471 H477A471-S473 VanDerWaalsContact C-N 3.27Å; A471-S473 PolarHBondContact O-N 3.34Å; S473-H477 WeakPolarHBondContact O-CB 3.49Å; S473-H477 PolarHBondContact O-N 3.46Å; S473-H477 VanDerWaalsContact O-N 3.09Å
474L96.3Very high93.1Very high0 Ų045.5 Ų45.50%022%0.22CC..Hα-helixtrans-77.8-36.2177.1-63-177.3000111.5C440 V443 T444 L457 I460 T461 L464 A471 D472 H477 F478C440-L474 HydrophobicContact CB-CD2 4.38Å; C440-L474 HydrophobicContact CB-CG 4.25Å; V443-L474 HydrophobicContact CB-CD2 3.92Å; V443-L474 HydrophobicContact CG1-CD2 3.88Å; T444-L474 HydrophobicContact CG2-CD2 3.61Å; L457-L474 HydrophobicContact CD1-CB 3.92Å; L457-L474 HydrophobicContact CD1-CD1 4.48Å; L457-L474 HydrophobicContact CD1-CD2 3.59Å; L457-L474 HydrophobicContact CD1-CG 4.2Å; I460-L474 HydrophobicContact CG2-CD1 3.96Å; T461-L474 HydrophobicContact CG2-CB 4.42Å; T461-L474 WeakPolarHBondContact OG1-CB 3.3Å; L464-L474 HydrophobicContact CD1-CD1 3.99Å; A471-L474 HydrophobicContact CB-CB 4.14Å; A471-L474 HydrophobicContact CB-CD1 3.84Å; A471-L474 HydrophobicContact CB-CG 4.06Å; A471-L474 PolarHBondContact O-N 2.89Å; D472-L474 VanDerWaalsContact C-N 3.27Å; D472-L474 PolarHBondContact O-N 3.41Å; L474-H477 PolarHBondContact O-N 3.34Å; L474-F478 WeakPolarHBondContact O-CB 3.5Å; L474-F478 PolarHBondContact O-N 2.88Å
475I94.7Very high92.4Very high19 Ų1947.7 Ų47.710%0.09723%0.231CC..Hα-helixtrans-63.1-47.4174.6-62.3172.5000109.7T461 A471 D472 H477 F478 D479 K512T461-I475 HydrophobicContact CG2-CD1 4.46Å; T461-I475 HydrophobicContact CG2-CG1 3.74Å; A471-I475 PolarHBondContact O-N 3.04Å; D472-I475 PolarHBondContact O-N 3.33Å; D472-I475 VanDerWaalsContact O-N 3.13Å; I475-H477 VanDerWaalsContact C-N 3.33Å; I475-H477 PolarHBondContact O-N 3.44Å; I475-F478 WeakPolarHBondContact O-CB 3.45Å; I475-F478 PolarHBondContact O-N 3.26Å; I475-D479 PolarHBondContact O-N 2.91Å; I475-K512 HydrophobicContact CD1-CG 4.28Å
476E94.8Very high91.5Very high112 Ų11251.4 Ų51.452%0.52325%0.251SS..Hα-helixtrans-61.8-40.7176-71.3180-163.500112.5D472 F478 D479 K480D472-E476 PolarHBondContact O-N 3.43Å; E476-F478 VanDerWaalsContact C-N 3.34Å; E476-D479 PolarHBondContact O-N 3.19Å; E476-K480 WeakPolarHBondContact O-CG 3.26Å; E476-K480 PolarHBondContact O-N 3.04Å
477H94.6Very high90.8Very high48 Ų4858 Ų5822%0.22229%0.286CS..Hα-helixtrans-63.2-42.9176.3-167.3121.7000110.6T444 I448 L457 S473 L474 I475 K480 A481T444-H477 HydrophobicContact CG2-CB 4.21Å; T444-H477 PolarHBondContact O-CE1 3.49Å; T444-H477 PolarHBondContact O-ND1 2.94Å; I448-H477 WeakPolarHBondContact CD1-CD2 3.46Å; I448-H477 VanDerWaalsContact CD1-NE2 3.3Å; I448-H477 WeakPolarHBondContact CD1-NE2 3.33Å; L457-H477 HydrophobicContact CD2-CB 4.39Å; S473-H477 WeakPolarHBondContact O-CB 3.49Å; S473-H477 PolarHBondContact O-N 3.46Å; S473-H477 VanDerWaalsContact O-N 3.09Å; L474-H477 PolarHBondContact O-N 3.34Å; I475-H477 VanDerWaalsContact C-N 3.33Å; I475-H477 PolarHBondContact O-N 3.44Å; H477-K480 PolarHBondContact O-N 2.92Å; H477-A481 WeakPolarHBondContact O-CB 3.34Å; H477-A481 PolarHBondContact O-N 3.09Å
478F94.6Very high89.8Confident0 Ų063 Ų630%031%0.313CS..Hα-helixtrans-59.7-50.4176179.2-87.4000111.3L454 L457 A458 L474 I475 E476 K480 A481 I482 L504 I508L454-F478 HydrophobicContact CD1-CD2 3.52Å; L454-F478 HydrophobicContact CD1-CE2 3.76Å; L454-F478 HydrophobicContact CD1-CG 4.28Å; L454-F478 HydrophobicContact CD2-CE2 4.16Å; L454-F478 HydrophobicContact CG-CD2 3.99Å; L454-F478 HydrophobicContact CG-CE2 3.7Å; L457-F478 HydrophobicContact CD2-CB 3.68Å; L457-F478 HydrophobicContact CD2-CD2 4.22Å; L457-F478 HydrophobicContact CD2-CG 4.47Å; L457-F478 HydrophobicContact CG-CB 4.43Å; A458-F478 HydrophobicContact CB-CD2 4.2Å; A458-F478 HydrophobicContact CB-CE2 3.88Å; L474-F478 WeakPolarHBondContact O-CB 3.5Å; L474-F478 PolarHBondContact O-N 2.88Å; I475-F478 WeakPolarHBondContact O-CB 3.45Å; I475-F478 PolarHBondContact O-N 3.26Å; E476-F478 VanDerWaalsContact C-N 3.34Å; F478-K480 VanDerWaalsContact C-N 3.26Å; F478-K480 PolarHBondContact O-N 3.46Å; F478-A481 PolarHBondContact O-N 3Å; F478-A481 VanDerWaalsContact O-N 3.17Å; F478-I482 HydrophobicContact CE1-CB 4.45Å; F478-I482 HydrophobicContact CE1-CD1 3.63Å; F478-I482 HydrophobicContact CE1-CG2 4.48Å; F478-I482 HydrophobicContact CZ-CD1 3.7Å; F478-I482 WeakPolarHBondContact O-CB 3.31Å; F478-I482 WeakPolarHBondContact O-CG2 3.34Å; F478-I482 PolarHBondContact O-N 3.42Å; F478-L504 HydrophobicContact CE2-CB 4.09Å; F478-L504 HydrophobicContact CE2-CD1 4.35Å; F478-L504 HydrophobicContact CZ-CB 3.96Å; F478-I508 HydrophobicContact CB-CD1 4.24Å; F478-I508 HydrophobicContact CD1-CD1 4.14Å; F478-I508 HydrophobicContact CD1-CG1 3.7Å; F478-I508 HydrophobicContact CD2-CD1 3.98Å; F478-I508 HydrophobicContact CD2-CG1 3.96Å; F478-I508 HydrophobicContact CE1-CB 4.41Å; F478-I508 HydrophobicContact CE1-CG1 3.63Å; F478-I508 HydrophobicContact CE2-CD1 4.37Å; F478-I508 HydrophobicContact CE2-CG1 3.89Å; F478-I508 HydrophobicContact CG-CD1 3.85Å; F478-I508 HydrophobicContact CG-CG1 3.86Å; F478-I508 HydrophobicContact CZ-CG1 3.72Å
479D92.2Very high88.4Confident57 Ų5764.9 Ų64.931%0.30533%0.327SS..Hα-helixtrans-63.1-31.5-178.7-71.3-21000112.5I475 E476 I482 K483I475-D479 PolarHBondContact O-N 2.91Å; E476-D479 PolarHBondContact O-N 3.19Å; D479-I482 WeakPolarHBondContact O-CG2 3.42Å; D479-K483 WeakPolarHBondContact O-CD 3.49Å; D479-K483 VanDerWaalsContact O-CG 3.29Å; D479-K483 WeakPolarHBondContact O-CG 3.49Å
480K91.9Very high86.3Confident142 Ų14267.8 Ų67.862%0.61735%0.353SS*.Hα-helixtrans-72.9-46.4172.8-73.3170.4-176.3167.50111.7E476 H477 F478 K483 K484E476-K480 WeakPolarHBondContact O-CG 3.26Å; E476-K480 PolarHBondContact O-N 3.04Å; H477-K480 PolarHBondContact O-N 2.92Å; F478-K480 VanDerWaalsContact C-N 3.26Å; F478-K480 PolarHBondContact O-N 3.46Å; K480-K483 PolarHBondContact O-N 2.73Å; K480-K484 PolarHBondContact O-N 3.36Å; K480-K484 VanDerWaalsContact O-N 3.16Å
481A90.5Very high84.2Confident12 Ų1267.8 Ų67.810%0.09937%0.368CS..Hα-helixtrans-68.9-39.2-17600000112.8I448 L454 H477 F478 K483 K484 L485I448-A481 HydrophobicContact CB-CB 4.21Å; I448-A481 HydrophobicContact CD1-CB 3.56Å; I448-A481 HydrophobicContact CG1-CB 4.41Å; I448-A481 HydrophobicContact CG2-CB 4.15Å; L454-A481 HydrophobicContact CD1-CB 3.94Å; H477-A481 WeakPolarHBondContact O-CB 3.34Å; H477-A481 PolarHBondContact O-N 3.09Å; F478-A481 PolarHBondContact O-N 3Å; F478-A481 VanDerWaalsContact O-N 3.17Å; A481-K483 VanDerWaalsContact C-N 3.34Å; A481-K483 PolarHBondContact O-N 3.01Å; A481-K484 PolarHBondContact O-N 2.98Å; A481-L485 PolarHBondContact O-N 3.4Å
482I88.5Confident82Confident13 Ų1374.6 Ų74.67%0.06740%0.404CS..Hα-helixtrans-63.9-39.4177.6-160.1169.1000111.7L454 F478 D479 N486 F501L454-I482 HydrophobicContact CD2-CB 4.31Å; L454-I482 HydrophobicContact CD2-CG1 4.2Å; F478-I482 HydrophobicContact CE1-CB 4.45Å; F478-I482 HydrophobicContact CE1-CD1 3.63Å; F478-I482 HydrophobicContact CE1-CG2 4.48Å; F478-I482 HydrophobicContact CZ-CD1 3.7Å; F478-I482 WeakPolarHBondContact O-CB 3.31Å; F478-I482 WeakPolarHBondContact O-CG2 3.34Å; F478-I482 PolarHBondContact O-N 3.42Å; D479-I482 WeakPolarHBondContact O-CG2 3.42Å; I482-N486 WeakPolarHBondContact O-CB 3.36Å; I482-N486 VanDerWaalsContact O-CG 3.26Å; I482-N486 PolarHBondContact O-N 3.18Å; I482-N486 PolarHBondContact O-ND2 3.15Å; I482-F501 HydrophobicContact CD1-CD2 4.25Å; I482-F501 HydrophobicContact CD1-CE1 4.26Å; I482-F501 HydrophobicContact CD1-CE2 3.34Å; I482-F501 HydrophobicContact CD1-CZ 3.33Å; I482-F501 HydrophobicContact CG1-CD2 4.47Å; I482-F501 HydrophobicContact CG1-CE2 3.46Å; I482-F501 VanDerWaalsContact CG1-CE2 3.46Å; I482-F501 HydrophobicContact CG1-CZ 3.82Å
483K87Confident79.9Confident142 Ų14276.3 Ų76.362%0.61741%0.412SS*.Hα-helixtrans-63.4-43.3174.2-73.9175.6-177.31780111.5D479 K480 A481 N487D479-K483 WeakPolarHBondContact O-CD 3.49Å; D479-K483 VanDerWaalsContact O-CG 3.29Å; D479-K483 WeakPolarHBondContact O-CG 3.49Å; K480-K483 PolarHBondContact O-N 2.73Å; A481-K483 VanDerWaalsContact C-N 3.34Å; A481-K483 PolarHBondContact O-N 3.01Å; K483-N487 PolarHBondContact O-N 3.1Å; K483-N487 VanDerWaalsContact O-N 3.09Å; K483-N487 PolarHBondContact O-ND2 3.41Å; K483-N487 PolarHBondContact O-OD1 3.46Å
484K85.3Confident77.7Confident120 Ų12076.4 Ų76.452%0.52241%0.412SS..Hα-helixtrans-61.9-51.7177.5-172.6-175.5174.5-168.20111.3K480 A481 N486 N487 D488K480-K484 PolarHBondContact O-N 3.36Å; K480-K484 VanDerWaalsContact O-N 3.16Å; A481-K484 PolarHBondContact O-N 2.98Å; K484-N486 VanDerWaalsContact C-N 3.32Å; K484-N486 PolarHBondContact O-N 2.84Å; K484-N487 PolarHBondContact O-N 3.47Å; K484-N487 VanDerWaalsContact O-N 3.1Å; K484-D488 PolarHBondContact O-N 2.99Å
485L82Confident75.6Confident46 Ų4682.3 Ų82.324%0.24145%0.449CS..Hα-helixtrans-61.1-38.6179.6-74.8168.5000112.8I448 L454 A481 N487 D488 A489I448-L485 HydrophobicContact CG2-CD1 4.14Å; L454-L485 HydrophobicContact CB-CD1 4.41Å; L454-L485 HydrophobicContact CD2-CD1 3.99Å; A481-L485 PolarHBondContact O-N 3.4Å; L485-N487 VanDerWaalsContact C-N 3.34Å; L485-D488 PolarHBondContact O-N 3.27Å; L485-A489 WeakPolarHBondContact O-CB 3.22Å; L485-A489 PolarHBondContact O-N 3.23Å
486N77.9Confident73.5Confident78 Ų7884.8 Ų84.842%0.41747%0.468SS..Hα-helixtrans-67.4-33.4175.8-76.4-12.6000112.8I482 K484I482-N486 WeakPolarHBondContact O-CB 3.36Å; I482-N486 VanDerWaalsContact O-CG 3.26Å; I482-N486 PolarHBondContact O-N 3.18Å; I482-N486 PolarHBondContact O-ND2 3.15Å; K484-N486 VanDerWaalsContact C-N 3.32Å; K484-N486 PolarHBondContact O-N 2.84Å
487N78.4Confident71.6Confident138 Ų13882.8 Ų82.874%0.73846%0.46SS*.Hα-helixtrans-74.2-35.1175.7-69.2-13.5000111.9K483 K484 L485K483-N487 PolarHBondContact O-N 3.1Å; K483-N487 VanDerWaalsContact O-N 3.09Å; K483-N487 PolarHBondContact O-ND2 3.41Å; K483-N487 PolarHBondContact O-OD1 3.46Å; K484-N487 PolarHBondContact O-N 3.47Å; K484-N487 VanDerWaalsContact O-N 3.1Å; L485-N487 VanDerWaalsContact C-N 3.34Å
488D71.2Confident69.8Low107 Ų10783.7 Ų83.757%0.57247%0.469SS*.Hα-helixtrans-76.6-27.4179.3-66.8-19.8000112.1K484 L485 S490K484-D488 PolarHBondContact O-N 2.99Å; L485-D488 PolarHBondContact O-N 3.27Å; D488-S490 PolarHBondContact O-N 2.83Å
489A63.1Low68.1Low52 Ų5288.5 Ų88.543%0.4350%0.499SS..SBendtrans-7288.9176.600000111.5L485 S491L485-A489 WeakPolarHBondContact O-CB 3.22Å; L485-A489 PolarHBondContact O-N 3.23Å; A489-S491 PolarHBondContact O-N 3.2Å
490S51.4Low66.9Low102 Ų10288.2 Ų88.271%0.71350%0.497SS*.  trans-57101.3169.3580000111.6D488 N492D488-S490 PolarHBondContact O-N 2.83Å; S490-N492 PolarHBondContact O-N 3.27Å
491S48.8Very low65.8Low113 Ų11384.8 Ų84.879%0.7948%0.482SS*.SBendtrans41.96.1157.469.20000122.2A489A489-S491 PolarHBondContact O-N 3.2Å
492N47.4Very low65.1Low146 Ų14688.4 Ų88.478%0.78151%0.506SS*.  trans-125.968.1176.5-79.1-11.7000110.8S490 S494S490-N492 PolarHBondContact O-N 3.27Å; N492-S494 PolarHBondContact O-N 3.27Å; N492-S494 VanDerWaalsContact O-N 3.15Å
493I51.1Low64.6Low102 Ų10291 Ų9152%0.52352%0.518SS..  trans-71.9106168.1-57.3175.9000106.8L497 T498I493-L497 HydrophobicContact CG2-CB 3.67Å; I493-L497 HydrophobicContact CG2-CD1 4.45Å; I493-T498 HydrophobicContact CG2-CG2 3.8Å
494S49.8Very low64.6Low55 Ų5584.2 Ų84.239%0.38549%0.489SS..  trans-59.5149.3169.961.50000110.3N492 S496 L497 T498N492-S494 PolarHBondContact O-N 3.27Å; N492-S494 VanDerWaalsContact O-N 3.15Å; S494-S496 PolarHBondContact O-N 3.04Å; S494-S496 PolarHBondContact OG-OG 3.01Å; S494-L497 WeakPolarHBondContact O-CB 3.32Å; S494-L497 PolarHBondContact O-N 2.97Å; S494-L497 WeakPolarHBondContact OG-CD1 3.47Å; S494-T498 PolarHBondContact O-N 3.17Å
495T51.7Low64.7Low124 Ų12481.1 Ų81.176%0.76148%0.476SS*.Hα-helixtrans-56.9-20.6175.839.60000114T498 T499T495-T498 WeakPolarHBondContact CA-OG1 3.47Å; T495-T498 PolarHBondContact O-OG1 3.28Å; T495-T499 PolarHBondContact O-OG1 3.16Å
496S51.5Low65.1Low71 Ų7180.8 Ų80.850%0.49747%0.474SS..Hα-helixtrans-67.6-44171.164.90000111.8S494 T498 T499 D500S494-S496 PolarHBondContact O-N 3.04Å; S494-S496 PolarHBondContact OG-OG 3.01Å; S496-T498 VanDerWaalsContact C-N 3.31Å; S496-T498 PolarHBondContact O-N 3.28Å; S496-T499 PolarHBondContact O-N 3.02Å; S496-D500 WeakPolarHBondContact O-CB 3.31Å; S496-D500 PolarHBondContact O-N 3.21Å
497L53.5Low65.9Low70 Ų7077.4 Ų77.437%0.36646%0.455SS..Hα-helixtrans-64.9-32.4-179.9-75.8161.1000112.1I493 S494 D500 F501I493-L497 HydrophobicContact CG2-CB 3.67Å; I493-L497 HydrophobicContact CG2-CD1 4.45Å; S494-L497 WeakPolarHBondContact O-CB 3.32Å; S494-L497 PolarHBondContact O-N 2.97Å; S494-L497 WeakPolarHBondContact OG-CD1 3.47Å; L497-D500 WeakPolarHBondContact O-CB 3.38Å; L497-F501 VanDerWaalsContact O-CB 3.3Å; L497-F501 WeakPolarHBondContact O-CB 3.47Å; L497-F501 PolarHBondContact O-N 2.78Å
498T57.3Low66.6Low67 Ų6770.8 Ų70.841%0.41142%0.42SS..Hα-helixtrans-66.1-41.7176.544.20000112.9I493 S494 T495 S496 D500 F501 C502I493-T498 HydrophobicContact CG2-CG2 3.8Å; S494-T498 PolarHBondContact O-N 3.17Å; T495-T498 WeakPolarHBondContact CA-OG1 3.47Å; T495-T498 PolarHBondContact O-OG1 3.28Å; S496-T498 VanDerWaalsContact C-N 3.31Å; S496-T498 PolarHBondContact O-N 3.28Å; T498-D500 VanDerWaalsContact C-N 3.33Å; T498-F501 PolarHBondContact O-N 3.13Å; T498-C502 PolarHBondContact O-N 3.35Å; T498-C502 VanDerWaalsContact O-N 3.14Å; T498-C502 PolarHBondContact O-SG 2.86Å; T498-C502 VanDerWaalsContact O-SG 3.35Å
499T60Low67.7Low102 Ų10266.4 Ų66.463%0.62640%0.397SS*.Hα-helixtrans-66.4-42.8179.1-48.40000110.6T495 S496 C502 Q503T495-T499 PolarHBondContact O-OG1 3.16Å; S496-T499 PolarHBondContact O-N 3.02Å; T499-C502 PolarHBondContact O-N 3.49Å; T499-Q503 PolarHBondContact O-N 3.26Å
500D65.4Low69.2Low51 Ų5163.9 Ų63.927%0.27338%0.376SS..Hα-helixtrans-57.5-53.7174.1-103-29.9000110.5Y451 S496 L497 T498 C502 Q503 L504Y451-D500 HydrophobicContact CE1-CB 3.61Å; Y451-D500 WeakPolarHBondContact CE1-OD1 2.98Å; Y451-D500 HydrophobicContact CE2-CB 3.87Å; Y451-D500 WeakPolarHBondContact OH-CA 3.17Å; Y451-D500 WeakPolarHBondContact OH-CB 3.44Å; Y451-D500 PolarHBondContact OH-O 2.77Å; Y451-D500 PolarHBondContact OH-OD1 2.86Å; S496-D500 WeakPolarHBondContact O-CB 3.31Å; S496-D500 PolarHBondContact O-N 3.21Å; L497-D500 WeakPolarHBondContact O-CB 3.38Å; T498-D500 VanDerWaalsContact C-N 3.33Å; D500-C502 VanDerWaalsContact C-N 3.31Å; D500-C502 PolarHBondContact O-N 3.23Å; D500-Q503 WeakPolarHBondContact O-CA 3.29Å; D500-Q503 VanDerWaalsContact O-CB 3.3Å; D500-Q503 WeakPolarHBondContact O-CB 3.34Å; D500-Q503 PolarHBondContact O-N 2.72Å; D500-L504 PolarHBondContact O-N 3.04Å; D500-L504 VanDerWaalsContact O-N 3.07Å
501F68.8Low71.3Confident69 Ų6959.1 Ų59.130%0.30334%0.343SS..Hα-helixtrans-54.5-44.2179.2-168.1-85.7000113.1I482 L497 T498 Q503 L504 Q505I482-F501 HydrophobicContact CD1-CD2 4.25Å; I482-F501 HydrophobicContact CD1-CE1 4.26Å; I482-F501 HydrophobicContact CD1-CE2 3.34Å; I482-F501 HydrophobicContact CD1-CZ 3.33Å; I482-F501 HydrophobicContact CG1-CD2 4.47Å; I482-F501 HydrophobicContact CG1-CE2 3.46Å; I482-F501 VanDerWaalsContact CG1-CE2 3.46Å; I482-F501 HydrophobicContact CG1-CZ 3.82Å; L497-F501 VanDerWaalsContact O-CB 3.3Å; L497-F501 WeakPolarHBondContact O-CB 3.47Å; L497-F501 PolarHBondContact O-N 2.78Å; T498-F501 PolarHBondContact O-N 3.13Å; F501-Q503 VanDerWaalsContact C-N 3.27Å; F501-Q503 PolarHBondContact O-N 3.48Å; F501-L504 PolarHBondContact O-N 3.04Å; F501-Q505 PolarHBondContact O-N 3.45Å
502C75.9Confident73.5Confident88 Ų8856.5 Ų56.560%0.59532%0.317SS*.Hα-helixtrans-58-39.4174.9-71.30000112.1T498 T499 D500 L506T498-C502 PolarHBondContact O-N 3.35Å; T498-C502 VanDerWaalsContact O-N 3.14Å; T498-C502 PolarHBondContact O-SG 2.86Å; T498-C502 VanDerWaalsContact O-SG 3.35Å; T499-C502 PolarHBondContact O-N 3.49Å; D500-C502 VanDerWaalsContact C-N 3.31Å; D500-C502 PolarHBondContact O-N 3.23Å; C502-L506 VanDerWaalsContact O-CB 3.3Å; C502-L506 WeakPolarHBondContact O-CB 3.36Å; C502-L506 PolarHBondContact O-N 3.3Å
503Q79.1Confident75.7Confident68 Ų6849.6 Ų49.632%0.31828%0.28SS..Hα-helixtrans-67.2-37.8177.2-166.8179.736.700112.3T499 D500 F501 L506 Y507T499-Q503 PolarHBondContact O-N 3.26Å; D500-Q503 WeakPolarHBondContact O-CA 3.29Å; D500-Q503 VanDerWaalsContact O-CB 3.3Å; D500-Q503 WeakPolarHBondContact O-CB 3.34Å; D500-Q503 PolarHBondContact O-N 2.72Å; F501-Q503 VanDerWaalsContact C-N 3.27Å; F501-Q503 PolarHBondContact O-N 3.48Å; Q503-L506 WeakPolarHBondContact O-CB 3.48Å; Q503-L506 PolarHBondContact O-N 3.22Å; Q503-Y507 HydrophobicContact CG-CD2 4.42Å; Q503-Y507 HydrophobicContact CG-CE2 3.88Å; Q503-Y507 VanDerWaalsContact O-CD2 3.25Å; Q503-Y507 WeakPolarHBondContact O-CD2 3.25Å; Q503-Y507 PolarHBondContact O-N 3.02Å
504L86.2Confident77.8Confident0 Ų044.7 Ų44.70%026%0.255CS..Hα-helixtrans-66.4-47.3177-59.2-163000112.1Y451 L454 K455 A458 F478 D500 F501 L506 Y507 I508Y451-L504 HydrophobicContact CD2-CD1 3.81Å; Y451-L504 HydrophobicContact CE2-CD1 3.13Å; Y451-L504 HydrophobicContact CE2-CD2 4.31Å; Y451-L504 HydrophobicContact CE2-CG 3.58Å; Y451-L504 VanDerWaalsContact OH-CD2 3.26Å; Y451-L504 WeakPolarHBondContact OH-CD2 3.42Å; Y451-L504 WeakPolarHBondContact OH-CG 3.5Å; L454-L504 HydrophobicContact CB-CD1 4.11Å; L454-L504 HydrophobicContact CD2-CD1 3.55Å; L454-L504 HydrophobicContact CG-CD1 3.72Å; K455-L504 VanDerWaalsContact CA-CD2 3.5Å; K455-L504 HydrophobicContact CB-CD2 3.65Å; K455-L504 HydrophobicContact CG-CD2 3.74Å; A458-L504 HydrophobicContact CB-CD2 4.45Å; F478-L504 HydrophobicContact CE2-CB 4.09Å; F478-L504 HydrophobicContact CE2-CD1 4.35Å; F478-L504 HydrophobicContact CZ-CB 3.96Å; D500-L504 PolarHBondContact O-N 3.04Å; D500-L504 VanDerWaalsContact O-N 3.07Å; F501-L504 PolarHBondContact O-N 3.04Å; L504-L506 PolarHBondContact O-N 3.12Å; L504-Y507 PolarHBondContact O-N 3.37Å; L504-Y507 VanDerWaalsContact O-N 3.16Å; L504-I508 PolarHBondContact O-N 3.47Å
505Q88.7Confident79.8Confident55 Ų5542.8 Ų42.826%0.25724%0.24SC..Hα-helixtrans-62.4-36.3179-166.761.248.400110.7F501 Y507 I508 N509F501-Q505 PolarHBondContact O-N 3.45Å; Q505-Y507 PolarHBondContact O-N 2.89Å; Q505-I508 PolarHBondContact O-N 3.13Å; Q505-N509 PolarHBondContact NE2-OD1 3.2Å; Q505-N509 WeakPolarHBondContact O-CB 3.29Å; Q505-N509 PolarHBondContact O-N 3.34Å; Q505-N509 PolarHBondContact O-OD1 2.93Å
506L90.5Very high81.8Confident38 Ų3840 Ų4020%0.19922%0.224CC..Hα-helixtrans-57.6-47.3173.7-179.165.5000111.9C502 Q503 L504 I508 N509 M510C502-L506 VanDerWaalsContact O-CB 3.3Å; C502-L506 WeakPolarHBondContact O-CB 3.36Å; C502-L506 PolarHBondContact O-N 3.3Å; Q503-L506 WeakPolarHBondContact O-CB 3.48Å; Q503-L506 PolarHBondContact O-N 3.22Å; L504-L506 PolarHBondContact O-N 3.12Å; L506-I508 PolarHBondContact O-N 3.24Å; L506-N509 PolarHBondContact O-N 2.98Å; L506-M510 HydrophobicContact CD1-CG 4.22Å; L506-M510 HydrophobicContact CD1-SD 4.4Å; L506-M510 HydrophobicContact CD2-CE 4.42Å; L506-M510 HydrophobicContact CG-CE 3.92Å; L506-M510 HydrophobicContact CG-CG 4.46Å; L506-M510 HydrophobicContact CG-SD 4.32Å; L506-M510 WeakPolarHBondContact O-CB 3.38Å; L506-M510 VanDerWaalsContact O-CG 3.31Å; L506-M510 WeakPolarHBondContact O-CG 3.19Å; L506-M510 PolarHBondContact O-N 2.95Å
507Y93.6Very high83.8Confident7 Ų738.8 Ų38.83%0.02721%0.213CC..Hα-helixtrans-60.7-43.4177.8-74.5-53.9000112.5P404 A458 Q459 Y462 Q503 L504 Q505 M510 A511P404-Y507 HydrophobicContact CB-CE1 4.21Å; A458-Y507 HydrophobicContact CB-CD2 4.5Å; Q459-Y507 HydrophobicContact CG-CD2 4.01Å; Q459-Y507 HydrophobicContact CG-CE2 3.72Å; Y462-Y507 AromaticContact CD1-CD1 3.49Å; Y462-Y507 HydrophobicContact CD1-CD1 3.49Å; Y462-Y507 VanDerWaalsContact CD1-CD1 3.49Å; Y462-Y507 AromaticContact CD1-CE1 3.89Å; Y462-Y507 HydrophobicContact CD1-CE1 3.89Å; Y462-Y507 HydrophobicContact CE1-CD1 4.08Å; Y462-Y507 HydrophobicContact CE1-CE1 4.19Å; Y462-Y507 AromaticContact CG-CD1 3.97Å; Y462-Y507 HydrophobicContact CG-CD1 3.97Å; Q503-Y507 HydrophobicContact CG-CD2 4.42Å; Q503-Y507 HydrophobicContact CG-CE2 3.88Å; Q503-Y507 VanDerWaalsContact O-CD2 3.25Å; Q503-Y507 WeakPolarHBondContact O-CD2 3.25Å; Q503-Y507 PolarHBondContact O-N 3.02Å; L504-Y507 PolarHBondContact O-N 3.37Å; L504-Y507 VanDerWaalsContact O-N 3.16Å; Q505-Y507 PolarHBondContact O-N 2.89Å; Y507-M510 HydrophobicContact CD1-CE 3.65Å; Y507-M510 HydrophobicContact CE1-CE 4.14Å; Y507-A511 VanDerWaalsContact O-CB 3.3Å; Y507-A511 WeakPolarHBondContact O-CB 3.17Å; Y507-A511 PolarHBondContact O-N 3.07Å
508I94.4Very high85.7Confident0 Ų035.9 Ų35.90%020%0.199CC..Hα-helixtrans-66.7-42.9178.5-64.8-61.5000111.4A458 T461 F478 L504 Q505 L506 A511 K512A458-I508 HydrophobicContact CB-CD1 4.14Å; A458-I508 HydrophobicContact CB-CG1 4.23Å; T461-I508 HydrophobicContact CG2-CD1 4.08Å; F478-I508 HydrophobicContact CB-CD1 4.24Å; F478-I508 HydrophobicContact CD1-CD1 4.14Å; F478-I508 HydrophobicContact CD1-CG1 3.7Å; F478-I508 HydrophobicContact CD2-CD1 3.98Å; F478-I508 HydrophobicContact CD2-CG1 3.96Å; F478-I508 HydrophobicContact CE1-CB 4.41Å; F478-I508 HydrophobicContact CE1-CG1 3.63Å; F478-I508 HydrophobicContact CE2-CD1 4.37Å; F478-I508 HydrophobicContact CE2-CG1 3.89Å; F478-I508 HydrophobicContact CG-CD1 3.85Å; F478-I508 HydrophobicContact CG-CG1 3.86Å; F478-I508 HydrophobicContact CZ-CG1 3.72Å; L504-I508 PolarHBondContact O-N 3.47Å; Q505-I508 PolarHBondContact O-N 3.13Å; L506-I508 PolarHBondContact O-N 3.24Å; I508-A511 WeakPolarHBondContact O-CB 3.26Å; I508-A511 PolarHBondContact O-N 2.93Å; I508-K512 HydrophobicContact CG2-CD 4.43Å; I508-K512 WeakPolarHBondContact O-CG 3.29Å; I508-K512 PolarHBondContact O-N 3.25Å
509N93.7Very high87.3Confident14 Ų1434.9 Ų34.98%0.07519%0.194CC..Hα-helixtrans-63.9-47177.4-68.4-7.7000110.8Q505 L506 A511 K512 C513 S529Q505-N509 PolarHBondContact NE2-OD1 3.2Å; Q505-N509 WeakPolarHBondContact O-CB 3.29Å; Q505-N509 PolarHBondContact O-N 3.34Å; Q505-N509 PolarHBondContact O-OD1 2.93Å; L506-N509 PolarHBondContact O-N 2.98Å; N509-A511 VanDerWaalsContact C-N 3.28Å; N509-A511 PolarHBondContact O-N 3.12Å; N509-K512 WeakPolarHBondContact O-CB 3.28Å; N509-K512 PolarHBondContact O-N 3.49Å; N509-K512 VanDerWaalsContact O-N 3.12Å; N509-C513 PolarHBondContact O-N 2.76Å; N509-C513 PolarHBondContact O-SG 3.46Å; N509-S529 WeakPolarHBondContact CB-OG 3.27Å; N509-S529 PolarHBondContact ND2-OG 3.25Å
510M94.5Very high88.5Confident0 Ų033.7 Ų33.70%018%0.18CC..Hα-helixtrans-58.6-39.8174.2-72.4-170.2-59.700112.1Y462 L506 Y507 K512 C513 L514 S532 L533Y462-M510 HydrophobicContact CD1-CE 4.43Å; Y462-M510 HydrophobicContact CD2-CB 3.86Å; Y462-M510 HydrophobicContact CD2-CE 4.44Å; Y462-M510 HydrophobicContact CE1-CE 4.07Å; Y462-M510 HydrophobicContact CE2-CB 3.68Å; Y462-M510 HydrophobicContact CE2-CE 4.08Å; Y462-M510 HydrophobicContact CE2-SD 4.33Å; L506-M510 HydrophobicContact CD1-CG 4.22Å; L506-M510 HydrophobicContact CD1-SD 4.4Å; L506-M510 HydrophobicContact CD2-CE 4.42Å; L506-M510 HydrophobicContact CG-CE 3.92Å; L506-M510 HydrophobicContact CG-CG 4.46Å; L506-M510 HydrophobicContact CG-SD 4.32Å; L506-M510 WeakPolarHBondContact O-CB 3.38Å; L506-M510 VanDerWaalsContact O-CG 3.31Å; L506-M510 WeakPolarHBondContact O-CG 3.19Å; L506-M510 PolarHBondContact O-N 2.95Å; Y507-M510 HydrophobicContact CD1-CE 3.65Å; Y507-M510 HydrophobicContact CE1-CE 4.14Å; M510-K512 VanDerWaalsContact C-N 3.32Å; M510-K512 PolarHBondContact O-N 2.91Å; M510-C513 PolarHBondContact O-N 3.41Å; M510-L514 WeakPolarHBondContact O-CG 3.32Å; M510-L514 PolarHBondContact O-N 3.07Å; M510-S532 VanDerWaalsContact SD-CB 3.57Å; M510-L533 HydrophobicContact CB-CD2 3.99Å; M510-L533 HydrophobicContact CG-CD2 3.98Å; M510-L533 HydrophobicContact SD-CD2 4.15Å
511A95.4Very high89.6Confident1 Ų138.6 Ų38.61%0.00821%0.207CC..Hα-helixtrans-60.8-40.1176.300000112.4T461 Y462 S465 Y507 I508 N509T461-A511 HydrophobicContact CG2-CB 4.11Å; Y462-A511 HydrophobicContact CD2-CB 4.49Å; S465-A511 WeakPolarHBondContact OG-CB 3.03Å; S465-A511 PolarHBondContact OG-O 3.08Å; S465-A511 VanDerWaalsContact OG-O 3.05Å; Y507-A511 VanDerWaalsContact O-CB 3.3Å; Y507-A511 WeakPolarHBondContact O-CB 3.17Å; Y507-A511 PolarHBondContact O-N 3.07Å; I508-A511 WeakPolarHBondContact O-CB 3.26Å; I508-A511 PolarHBondContact O-N 2.93Å; N509-A511 VanDerWaalsContact C-N 3.28Å; N509-A511 PolarHBondContact O-N 3.12Å
512K94.4Very high90.6Very high59 Ų5936.3 Ų36.326%0.25720%0.199SC..Hα-helixtrans-67.2-47.8174.8-69.9174.1-179.3178.70111.2I475 I508 N509 M510 L514 L515 T516I475-K512 HydrophobicContact CD1-CG 4.28Å; I508-K512 HydrophobicContact CG2-CD 4.43Å; I508-K512 WeakPolarHBondContact O-CG 3.29Å; I508-K512 PolarHBondContact O-N 3.25Å; N509-K512 WeakPolarHBondContact O-CB 3.28Å; N509-K512 PolarHBondContact O-N 3.49Å; N509-K512 VanDerWaalsContact O-N 3.12Å; M510-K512 VanDerWaalsContact C-N 3.32Å; M510-K512 PolarHBondContact O-N 2.91Å; K512-L514 VanDerWaalsContact C-N 3.28Å; K512-L514 PolarHBondContact O-N 2.82Å; K512-L515 PolarHBondContact O-N 3.08Å; K512-T516 WeakPolarHBondContact O-CB 3.35Å; K512-T516 PolarHBondContact O-N 2.9Å; K512-T516 PolarHBondContact O-OG1 3.28Å
513C94.4Very high91.3Very high0 Ų034.4 Ų34.40%019%0.187CC..Hα-helixtrans-60-34.1177.7-580000112.2N509 M510 L515 L518 Y542N509-C513 PolarHBondContact O-N 2.76Å; N509-C513 PolarHBondContact O-SG 3.46Å; M510-C513 PolarHBondContact O-N 3.41Å; C513-L515 PolarHBondContact O-N 3.35Å; C513-L518 HydrophobicContact CB-CD1 4.33Å; C513-Y542 HydrophobicContact CB-CE2 4.36Å; C513-Y542 PolarHBondContact O-OH 3.32Å
514L94.6Very high91.7Very high0 Ų036.9 Ų36.90%020%0.198CC..Hα-helixtrans-68.9-21.4-178.8-76.1169.3000114.1Y462 L466 M510 K512 L533 W538 A638 K639 G640Y462-L514 HydrophobicContact CD2-CD1 4.01Å; Y462-L514 HydrophobicContact CE2-CD1 3.56Å; L466-L514 HydrophobicContact CD2-CD1 3.48Å; L466-L514 VanDerWaalsContact CD2-CD1 3.48Å; L466-L514 HydrophobicContact CD2-CD2 4.42Å; L466-L514 HydrophobicContact CG-CD1 3.81Å; M510-L514 WeakPolarHBondContact O-CG 3.32Å; M510-L514 PolarHBondContact O-N 3.07Å; K512-L514 VanDerWaalsContact C-N 3.28Å; K512-L514 PolarHBondContact O-N 2.82Å; L514-L533 HydrophobicContact CD1-CD2 4.36Å; L514-L533 HydrophobicContact CD2-CD2 3.95Å; L514-L533 HydrophobicContact CG-CD2 3.99Å; L514-W538 HydrophobicContact CD2-CD2 4.12Å; L514-W538 HydrophobicContact CD2-CE3 3.53Å; L514-W538 HydrophobicContact CD2-CH2 4.13Å; L514-W538 HydrophobicContact CD2-CZ3 3.54Å; L514-A638 HydrophobicContact CD2-CB 4.14Å; L514-A638 CarbonylContact O-C 3.46Å; L514-A638 VanDerWaalsContact O-C 3.24Å; L514-K639 PolarHBondContact O-N 3.12Å; L514-G640 PolarHBondContact O-N 3.45Å
515L93.4Very high91.7Very high15 Ų1540.8 Ų40.88%0.07922%0.222CC..Hα-helixtrans-118.9-20.2-169.8-58.2179.5000114.2S465 Y469 K470 K512 C513 K639S465-L515 WeakPolarHBondContact OG-CD1 3.27Å; Y469-L515 WeakPolarHBondContact O-CD1 3.42Å; K470-L515 HydrophobicContact CB-CD1 3.73Å; K470-L515 HydrophobicContact CG-CD1 3.9Å; K512-L515 PolarHBondContact O-N 3.08Å; C513-L515 PolarHBondContact O-N 3.35Å; L515-K639 VanDerWaalsContact O-CE 3.31Å; L515-K639 WeakPolarHBondContact O-CE 3.43Å
516T93Very high91.7Very high66 Ų6640.5 Ų40.541%0.40522%0.221SC..SBendtrans-117.9132.1-178.7-45.50000108.7K512 Y542K512-T516 WeakPolarHBondContact O-CB 3.35Å; K512-T516 PolarHBondContact O-N 2.9Å; K512-T516 PolarHBondContact O-OG1 3.28Å; T516-Y542 PolarHBondContact O-OH 3.13Å
517P93.8Very high91.5Very high44 Ų4441.2 Ų41.229%0.28622%0.222SC..  trans-65.8143.6175.327.9-33.7000110.7L643 S644P517-L643 HydrophobicContact CB-CB 3.94Å; P517-L643 HydrophobicContact CG-CB 4.38Å; P517-S644 WeakPolarHBondContact CA-OG 3.45Å
518L93.9Very high91.2Very high10 Ų1046.5 Ų46.55%0.05225%0.251CS..  trans-100158.1170.6-57.7178.6000110C513 S522 E526 I530 Y542 L546 S644C513-L518 HydrophobicContact CB-CD1 4.33Å; L518-S522 WeakPolarHBondContact CA-OG 3.35Å; L518-S522 WeakPolarHBondContact CB-OG 3.15Å; L518-E526 HydrophobicContact CD1-CB 4.31Å; L518-E526 HydrophobicContact CD2-CB 4.16Å; L518-I530 HydrophobicContact CD1-CD1 3.64Å; L518-I530 HydrophobicContact CD1-CG1 3.98Å; L518-Y542 HydrophobicContact CB-CD1 4.28Å; L518-Y542 HydrophobicContact CB-CE1 3.7Å; L518-Y542 HydrophobicContact CD1-CD1 4.08Å; L518-Y542 HydrophobicContact CD1-CE1 3.57Å; L518-Y542 HydrophobicContact CG-CD1 4.43Å; L518-Y542 HydrophobicContact CG-CE1 3.6Å; L518-L546 HydrophobicContact CB-CD2 4.3Å; L518-S644 PolarHBondContact N-OG 2.92Å; L518-S644 WeakPolarHBondContact O-CB 3.41Å
519S90.7Very high91Very high46 Ų4646.7 Ų46.732%0.32225%0.252SS..  trans-127.9173.1175.369.90000110.1N521 S522 L546S519-N521 PolarHBondContact O-N 3.47Å; S519-N521 PolarHBondContact OG-N 3.48Å; S519-S522 PolarHBondContact N-OG 3.46Å; S519-S522 VanDerWaalsContact O-CB 3.3Å; S519-S522 WeakPolarHBondContact O-CB 3.3Å; S519-S522 PolarHBondContact O-N 2.95Å; S519-S522 PolarHBondContact O-OG 2.91Å; S519-L546 VanDerWaalsContact C-CD2 3.42Å; S519-L546 WeakPolarHBondContact O-CD2 3.44Å
520K85Confident90.9Very high76 Ų7646.7 Ų46.733%0.3325%0.252SS..THydrogen-bonded Turntrans-51.8-29.2171.9-77.3-177.9171-178.30113.1K527 L546 N604 F648K520-K527 VanDerWaalsContact O-CE 3.27Å; K520-K527 WeakPolarHBondContact O-CE 3.42Å; K520-K527 PolarHBondContact O-NZ 2.84Å; K520-L546 WeakPolarHBondContact CE-O 3.48Å; K520-L546 VanDerWaalsContact CG-O 3.22Å; K520-L546 WeakPolarHBondContact CG-O 3.48Å; K520-N604 PolarHBondContact NZ-OD1 2.94Å; K520-F648 HydrophobicContact CD-CE2 4.1Å
521N87.5Confident90.5Very high155 Ų15548.8 Ų48.883%0.82927%0.266SS*.THydrogen-bonded Turntrans-90.9-1-177.8-60.6-22.4000113.9S519S519-N521 PolarHBondContact O-N 3.47Å; S519-N521 PolarHBondContact OG-N 3.48Å
522S90.6Very high90.1Very high21 Ų2149.2 Ų49.215%0.14727%0.27CS..SBendtrans-61157.4174.4-680000111.7L518 S519 K527L518-S522 WeakPolarHBondContact CA-OG 3.35Å; L518-S522 WeakPolarHBondContact CB-OG 3.15Å; S519-S522 PolarHBondContact N-OG 3.46Å; S519-S522 VanDerWaalsContact O-CB 3.3Å; S519-S522 WeakPolarHBondContact O-CB 3.3Å; S519-S522 PolarHBondContact O-N 2.95Å; S519-S522 PolarHBondContact O-OG 2.91Å; S522-K527 WeakPolarHBondContact O-CE 3.29Å; S522-K527 PolarHBondContact O-NZ 3.32Å
523S89.5Confident89.9Confident47 Ų4746.4 Ų46.433%0.32926%0.257SS..  trans-63.7147-176.366.60000112.1T525 E526 K527S523-T525 PolarHBondContact O-N 3.38Å; S523-T525 PolarHBondContact OG-OG1 3.39Å; S523-E526 PolarHBondContact N-OE2 3.37Å; S523-E526 VanDerWaalsContact N-OE2 3.08Å; S523-E526 PolarHBondContact O-N 3.31Å; S523-E526 WeakPolarHBondContact OG-CB 3.49Å; S523-E526 WeakPolarHBondContact OG-CG 3.37Å; S523-E526 PolarHBondContact OG-N 2.84Å; S523-E526 PolarHBondContact OG-OE2 2.98Å; S523-K527 PolarHBondContact O-N 3.04Å
524E88.3Confident89.5Confident120 Ų12047.1 Ų47.156%0.56126%0.262SS*.Hα-helixtrans-58.6-32.4176-69.7-53.4126.800112.1E526 K527 L528E524-E526 PolarHBondContact O-N 3.07Å; E524-K527 PolarHBondContact O-N 2.97Å; E524-K527 WeakPolarHBondContact OE1-CD 3.45Å; E524-K527 IonicContact OE1-NZ 3.16Å; E524-K527 PolarHBondContact OE1-NZ 2.79Å; E524-L528 WeakPolarHBondContact O-CB 3.45Å; E524-L528 WeakPolarHBondContact O-CG 3.39Å; E524-L528 PolarHBondContact O-N 3.44Å
525T86.7Confident89Confident83 Ų8347.6 Ų47.651%0.50927%0.265SS..Hα-helixtrans-63.3-40174.243.40000113.3S523 S529S523-T525 PolarHBondContact O-N 3.38Å; S523-T525 PolarHBondContact OG-OG1 3.39Å; T525-S529 PolarHBondContact O-N 2.95Å; T525-S529 PolarHBondContact O-OG 2.84Å
526E87.3Confident88.6Confident49 Ų4947.2 Ų47.223%0.22926%0.263CS..Hα-helixtrans-68.9-43.9175.1-73.7164.5139.200110.6L518 S523 E524 L528 S529 I530L518-E526 HydrophobicContact CD1-CB 4.31Å; L518-E526 HydrophobicContact CD2-CB 4.16Å; S523-E526 PolarHBondContact N-OE2 3.37Å; S523-E526 VanDerWaalsContact N-OE2 3.08Å; S523-E526 PolarHBondContact O-N 3.31Å; S523-E526 WeakPolarHBondContact OG-CB 3.49Å; S523-E526 WeakPolarHBondContact OG-CG 3.37Å; S523-E526 PolarHBondContact OG-N 2.84Å; S523-E526 PolarHBondContact OG-OE2 2.98Å; E524-E526 PolarHBondContact O-N 3.07Å; E526-L528 PolarHBondContact O-N 3.37Å; E526-S529 WeakPolarHBondContact O-CB 3.32Å; E526-S529 PolarHBondContact O-N 3.17Å; E526-S529 VanDerWaalsContact O-N 3.17Å; E526-I530 PolarHBondContact O-N 3.48Å
527K87.6Confident88.3Confident52 Ų5245 Ų4523%0.22625%0.247CC..Hα-helixtrans-59.7-45.6177.3-67.5177.4-173.2164.90112.2K520 S522 S523 E524 S529 I530 L546K520-K527 VanDerWaalsContact O-CE 3.27Å; K520-K527 WeakPolarHBondContact O-CE 3.42Å; K520-K527 PolarHBondContact O-NZ 2.84Å; S522-K527 WeakPolarHBondContact O-CE 3.29Å; S522-K527 PolarHBondContact O-NZ 3.32Å; S523-K527 PolarHBondContact O-N 3.04Å; E524-K527 PolarHBondContact O-N 2.97Å; E524-K527 WeakPolarHBondContact OE1-CD 3.45Å; E524-K527 IonicContact OE1-NZ 3.16Å; E524-K527 PolarHBondContact OE1-NZ 2.79Å; K527-S529 VanDerWaalsContact C-N 3.27Å; K527-S529 PolarHBondContact O-N 3.21Å; K527-I530 VanDerWaalsContact O-CB 3.29Å; K527-I530 WeakPolarHBondContact O-CB 3.49Å; K527-I530 WeakPolarHBondContact O-CG1 3.17Å; K527-I530 PolarHBondContact O-N 3.07Å; K527-L546 HydrophobicContact CG-CD1 4.17Å
528L87.8Confident88.1Confident119 Ų11942.9 Ų42.962%0.62323%0.234SC*.Hα-helixtrans-62.3-35.5177.1-73.5170.9000112E524 E526 I530 S531E524-L528 WeakPolarHBondContact O-CB 3.45Å; E524-L528 WeakPolarHBondContact O-CG 3.39Å; E524-L528 PolarHBondContact O-N 3.44Å; E526-L528 PolarHBondContact O-N 3.37Å; L528-I530 PolarHBondContact O-N 3.37Å; L528-S531 WeakPolarHBondContact O-CB 3.44Å; L528-S531 PolarHBondContact O-N 3.34Å; L528-S531 PolarHBondContact O-OG 3.48Å
529S89.7Confident88Confident4 Ų443.3 Ų43.33%0.02824%0.235CC..Hα-helixtrans-66.6-24.2-179.7-57.20000113.2N509 T525 E526 K527 S531 S532N509-S529 WeakPolarHBondContact CB-OG 3.27Å; N509-S529 PolarHBondContact ND2-OG 3.25Å; T525-S529 PolarHBondContact O-N 2.95Å; T525-S529 PolarHBondContact O-OG 2.84Å; E526-S529 WeakPolarHBondContact O-CB 3.32Å; E526-S529 PolarHBondContact O-N 3.17Å; E526-S529 VanDerWaalsContact O-N 3.17Å; K527-S529 VanDerWaalsContact C-N 3.27Å; K527-S529 PolarHBondContact O-N 3.21Å; S529-S531 PolarHBondContact O-N 3.32Å; S529-S532 PolarHBondContact O-N 3.37Å
530I90.2Very high87.9Confident13 Ų1341.2 Ų41.27%0.06722%0.22CC..Hα-helixtrans-56.9-38.7176.5-63165.3000110.7L518 E526 K527 L528 S532 L533 R539 Y542 L546L518-I530 HydrophobicContact CD1-CD1 3.64Å; L518-I530 HydrophobicContact CD1-CG1 3.98Å; E526-I530 PolarHBondContact O-N 3.48Å; K527-I530 VanDerWaalsContact O-CB 3.29Å; K527-I530 WeakPolarHBondContact O-CB 3.49Å; K527-I530 WeakPolarHBondContact O-CG1 3.17Å; K527-I530 PolarHBondContact O-N 3.07Å; L528-I530 PolarHBondContact O-N 3.37Å; I530-S532 PolarHBondContact O-N 3.45Å; I530-S532 VanDerWaalsContact O-N 3.14Å; I530-L533 HydrophobicContact CG2-CD1 4.42Å; I530-L533 WeakPolarHBondContact O-CB 3.24Å; I530-L533 WeakPolarHBondContact O-CG 3.47Å; I530-L533 PolarHBondContact O-N 2.93Å; I530-R539 HydrophobicContact CG2-CG 4.09Å; I530-R539 WeakPolarHBondContact O-CD 3.29Å; I530-R539 WeakPolarHBondContact O-CG 3.36Å; I530-Y542 HydrophobicContact CB-CD2 4.49Å; I530-Y542 HydrophobicContact CD1-CD1 3.82Å; I530-Y542 HydrophobicContact CD1-CD2 4.29Å; I530-Y542 HydrophobicContact CD1-CE1 4.47Å; I530-Y542 HydrophobicContact CD1-CG 3.75Å; I530-Y542 HydrophobicContact CG1-CD1 4.37Å; I530-Y542 HydrophobicContact CG1-CD2 4.02Å; I530-Y542 HydrophobicContact CG1-CE2 4.44Å; I530-Y542 HydrophobicContact CG1-CG 4.01Å; I530-Y542 HydrophobicContact CG2-CD2 3.76Å; I530-Y542 HydrophobicContact CG2-CG 3.85Å; I530-L546 HydrophobicContact CD1-CD1 3.67Å
531S86.5Confident88.4Confident44 Ų4437.7 Ų37.731%0.30821%0.205SC..THydrogen-bonded Turntrans-60.4-25.6-177.770.70000113.6L528 S529 R539L528-S531 WeakPolarHBondContact O-CB 3.44Å; L528-S531 PolarHBondContact O-N 3.34Å; L528-S531 PolarHBondContact O-OG 3.48Å; S529-S531 PolarHBondContact O-N 3.32Å; S531-R539 WeakPolarHBondContact O-CD 3.49Å
532S88.1Confident88.7Confident11 Ų1130.3 Ų30.38%0.07717%0.165CC..THydrogen-bonded Turntrans-87.7-8.5180-53.70000113.8R407 M510 S529 I530R407-S532 PolarHBondContact N-O 3.44Å; M510-S532 VanDerWaalsContact SD-CB 3.57Å; S529-S532 PolarHBondContact O-N 3.37Å; I530-S532 PolarHBondContact O-N 3.45Å; I530-S532 VanDerWaalsContact O-N 3.14Å
533L89.6Confident88.7Confident0 Ų032.6 Ų32.60%017%0.173CC..  trans-62.6137.8177.8-68.5177.1000111.3M510 L514 I530 S535 W538 R539 Y542M510-L533 HydrophobicContact CB-CD2 3.99Å; M510-L533 HydrophobicContact CG-CD2 3.98Å; M510-L533 HydrophobicContact SD-CD2 4.15Å; L514-L533 HydrophobicContact CD1-CD2 4.36Å; L514-L533 HydrophobicContact CD2-CD2 3.95Å; L514-L533 HydrophobicContact CG-CD2 3.99Å; I530-L533 HydrophobicContact CG2-CD1 4.42Å; I530-L533 WeakPolarHBondContact O-CB 3.24Å; I530-L533 WeakPolarHBondContact O-CG 3.47Å; I530-L533 PolarHBondContact O-N 2.93Å; L533-S535 PolarHBondContact O-N 3.48Å; L533-W538 HydrophobicContact CD1-CB 4.36Å; L533-R539 HydrophobicContact CB-CG 4.22Å; L533-R539 PolarHBondContact O-NE 3.34Å; L533-Y542 HydrophobicContact CD1-CD2 4Å; L533-Y542 HydrophobicContact CD1-CE2 3.93Å
534P85.3Confident88.8Confident15 Ų1530.5 Ų30.510%0.09716%0.159CC..SBendtrans-69-33.3-173.125-34000113.2V385 P405 Y462 L466 W538 R539V385-P534 HydrophobicContact CG1-CG 4.46Å; V385-P534 HydrophobicContact CG2-CB 4.3Å; V385-P534 HydrophobicContact CG2-CG 4.36Å; P405-P534 HydrophobicContact CB-CB 3.97Å; P405-P534 HydrophobicContact CB-CG 4.1Å; P405-P534 HydrophobicContact CG-CG 4.24Å; Y462-P534 VanDerWaalsContact OH-CD 3.25Å; Y462-P534 WeakPolarHBondContact OH-CD 3.24Å; L466-P534 HydrophobicContact CD2-CG 4.4Å; P534-W538 HydrophobicContact CG-CZ3 4.18Å; P534-R539 PolarHBondContact O-NH2 3.18Å
535S84.9Confident88.9Confident10 Ų1024.9 Ų24.97%0.0713%0.133CC..  trans-81.9123.8-177.8-177.30000112.1L533 Y537 W538 R539L533-S535 PolarHBondContact O-N 3.48Å; S535-Y537 VanDerWaalsContact C-N 3.26Å; S535-Y537 PolarHBondContact O-N 3.31Å; S535-Y537 PolarHBondContact OG-N 3.42Å; S535-W538 PolarHBondContact O-N 3.27Å; S535-W538 PolarHBondContact OG-N 3.25Å; S535-R539 PolarHBondContact O-N 2.93Å
536D84.4Confident89.1Confident7 Ų721.4 Ų21.44%0.03711%0.111CC..Hα-helixtrans-63.7-31.9171.6-62-67000111.8R407 R539 F540 V558 K562R407-D536 IonicContact NH1-OD1 3.37Å; R407-D536 PolarHBondContact NH1-OD1 3.16Å; D536-R539 IonicContact OD1-CZ 3.92Å; D536-R539 IonicContact OD1-NH1 2.69Å; D536-R539 PolarHBondContact OD1-NH1 3.47Å; D536-R539 IonicContact OD1-NH2 2.75Å; D536-R539 PolarHBondContact OD1-NH2 3.18Å; D536-R539 IonicContact OD2-NH2 2.82Å; D536-F540 WeakPolarHBondContact O-CB 3.07Å; D536-F540 PolarHBondContact O-N 3.29Å; D536-V558 WeakPolarHBondContact OD1-CG1 3.39Å; D536-K562 HydrophobicContact CB-CB 4.08Å; D536-K562 HydrophobicContact CB-CG 3.76Å; D536-K562 WeakPolarHBondContact OD2-CE 3.25Å; D536-K562 WeakPolarHBondContact OD2-CG 3.24Å
537Y87.2Confident89.1Confident18 Ų1819.8 Ų19.87%0.07111%0.107CC..Hα-helixtrans-68.4-41.3176.7-63.5-52.1000112.4S535 R539 F540 Y541 M563 K566 R634S535-Y537 VanDerWaalsContact C-N 3.26Å; S535-Y537 PolarHBondContact O-N 3.31Å; S535-Y537 PolarHBondContact OG-N 3.42Å; Y537-R539 VanDerWaalsContact C-N 3.35Å; Y537-R539 PolarHBondContact O-N 3.02Å; Y537-F540 PolarHBondContact O-N 2.99Å; Y537-Y541 VanDerWaalsContact O-CG 3.32Å; Y537-Y541 PolarHBondContact O-N 2.91Å; Y537-M563 HydrophobicContact CD1-CE 3.73Å; Y537-M563 HydrophobicContact CE1-CE 4.06Å; Y537-M563 HydrophobicContact CE1-SD 4.48Å; Y537-K566 HydrophobicContact CD1-CD 4.19Å; Y537-K566 HydrophobicContact CE1-CB 3.73Å; Y537-K566 HydrophobicContact CE1-CD 3.85Å; Y537-K566 HydrophobicContact CE1-CG 4.05Å; Y537-R634 VanDerWaalsContact CD2-NH2 3.32Å
538W90.5Very high89Confident0 Ų021.3 Ų21.30%012%0.118CC..Hα-helixtrans-63.8-43.3177.3-64.2-18.8000111.5V385 L466 L514 L533 P534 S535 F540 Y541 Y542 D635 A638 P641V385-W538 HydrophobicContact CG1-CH2 4.2Å; L466-W538 HydrophobicContact CD2-CH2 3.83Å; L466-W538 HydrophobicContact CD2-CZ3 3.61Å; L514-W538 HydrophobicContact CD2-CD2 4.12Å; L514-W538 HydrophobicContact CD2-CE3 3.53Å; L514-W538 HydrophobicContact CD2-CH2 4.13Å; L514-W538 HydrophobicContact CD2-CZ3 3.54Å; L533-W538 HydrophobicContact CD1-CB 4.36Å; P534-W538 HydrophobicContact CG-CZ3 4.18Å; S535-W538 PolarHBondContact O-N 3.27Å; S535-W538 PolarHBondContact OG-N 3.25Å; W538-F540 VanDerWaalsContact C-N 3.28Å; W538-F540 PolarHBondContact O-N 2.96Å; W538-Y541 PolarHBondContact O-N 3.03Å; W538-Y542 WeakPolarHBondContact O-CB 3.23Å; W538-Y542 WeakPolarHBondContact O-CD2 3.3Å; W538-Y542 PolarHBondContact O-N 3.4Å; W538-D635 PolarHBondContact NE1-OD1 2.86Å; W538-A638 HydrophobicContact CH2-CB 4.07Å; W538-A638 HydrophobicContact CZ2-CB 3.65Å; W538-P641 HydrophobicContact CB-CB 3.89Å; W538-P641 HydrophobicContact CB-CG 3.6Å; W538-P641 HydrophobicContact CD2-CG 4.32Å; W538-P641 HydrophobicContact CG-CB 4.14Å; W538-P641 HydrophobicContact CG-CG 3.62Å
539R90Very high88.9Confident19 Ų1916.1 Ų16.17%0.0729%0.09CC..Hα-helixtrans-59.3-41.6173.9-78.6-174.5-88.5117.54.8112R407 I530 S531 L533 P534 S535 D536 Y537 Y542 H543R407-R539 VanDerWaalsContact NH1-NH1 3.2Å; I530-R539 HydrophobicContact CG2-CG 4.09Å; I530-R539 WeakPolarHBondContact O-CD 3.29Å; I530-R539 WeakPolarHBondContact O-CG 3.36Å; S531-R539 WeakPolarHBondContact O-CD 3.49Å; L533-R539 HydrophobicContact CB-CG 4.22Å; L533-R539 PolarHBondContact O-NE 3.34Å; P534-R539 PolarHBondContact O-NH2 3.18Å; S535-R539 PolarHBondContact O-N 2.93Å; D536-R539 IonicContact OD1-CZ 3.92Å; D536-R539 IonicContact OD1-NH1 2.69Å; D536-R539 PolarHBondContact OD1-NH1 3.47Å; D536-R539 IonicContact OD1-NH2 2.75Å; D536-R539 PolarHBondContact OD1-NH2 3.18Å; D536-R539 IonicContact OD2-NH2 2.82Å; Y537-R539 VanDerWaalsContact C-N 3.35Å; Y537-R539 PolarHBondContact O-N 3.02Å; R539-Y542 PolarHBondContact O-N 3.36Å; R539-H543 WeakPolarHBondContact O-CB 3.47Å; R539-H543 PolarHBondContact O-N 3.11Å
540F90.4Very high88.7Confident2 Ų224.1 Ų24.11%0.00913%0.127CC..Hα-helixtrans-70.1-42.3178.5-175-116.7000113.3D536 Y537 W538 Y542 H543 C544 I554 I559 M563 L607D536-F540 WeakPolarHBondContact O-CB 3.07Å; D536-F540 PolarHBondContact O-N 3.29Å; Y537-F540 PolarHBondContact O-N 2.99Å; W538-F540 VanDerWaalsContact C-N 3.28Å; W538-F540 PolarHBondContact O-N 2.96Å; F540-Y542 VanDerWaalsContact C-N 3.25Å; F540-Y542 PolarHBondContact O-N 2.66Å; F540-H543 WeakPolarHBondContact O-CB 3.29Å; F540-H543 PolarHBondContact O-N 3.3Å; F540-H543 VanDerWaalsContact O-N 3.09Å; F540-C544 PolarHBondContact O-N 3.25Å; F540-I554 HydrophobicContact CD2-CD1 4.45Å; F540-I554 HydrophobicContact CE2-CD1 3.5Å; F540-I554 VanDerWaalsContact CE2-CD1 3.5Å; F540-I554 HydrophobicContact CE2-CG1 4.39Å; F540-I554 HydrophobicContact CZ-CD1 3.62Å; F540-I559 HydrophobicContact CB-CG2 4.18Å; F540-I559 HydrophobicContact CD2-CG2 3.66Å; F540-I559 HydrophobicContact CE2-CG2 4.28Å; F540-I559 HydrophobicContact CG-CG2 4.1Å; F540-M563 HydrophobicContact CB-CE 3.59Å; F540-M563 HydrophobicContact CD1-CE 3.02Å; F540-M563 HydrophobicContact CD1-SD 3.8Å; F540-M563 HydrophobicContact CD2-CE 4.15Å; F540-M563 HydrophobicContact CE1-CE 3.52Å; F540-M563 HydrophobicContact CE1-CG 4.39Å; F540-M563 HydrophobicContact CE1-SD 3.62Å; F540-M563 HydrophobicContact CG-CE 3.34Å; F540-M563 HydrophobicContact CG-SD 4.48Å; F540-M563 HydrophobicContact CZ-CE 4.32Å; F540-M563 HydrophobicContact CZ-SD 4.32Å; F540-L607 HydrophobicContact CD1-CD2 4.36Å; F540-L607 HydrophobicContact CE1-CD2 3.37Å; F540-L607 HydrophobicContact CE1-CG 4.5Å; F540-L607 HydrophobicContact CZ-CD1 4.48Å; F540-L607 HydrophobicContact CZ-CD2 3.94Å
541Y94.1Very high88.4Confident2 Ų225.6 Ų25.61%0.00814%0.139CC..Hα-helixtrans-60.2-38.6173.1-66.6-19.2000111.7Y537 W538 G545 K566 V630 P641 L642 L645Y537-Y541 VanDerWaalsContact O-CG 3.32Å; Y537-Y541 PolarHBondContact O-N 2.91Å; W538-Y541 PolarHBondContact O-N 3.03Å; Y541-G545 PolarHBondContact O-N 3.41Å; Y541-K566 PolarHBondContact OH-NZ 3.1Å; Y541-V630 PolarHBondContact OH-O 3.16Å; Y541-P641 HydrophobicContact CD2-CB 4.38Å; Y541-L642 HydrophobicContact CD2-CB 4.43Å; Y541-L642 HydrophobicContact CE2-CD1 4.39Å; Y541-L645 HydrophobicContact CD1-CD2 3.89Å; Y541-L645 HydrophobicContact CE1-CD2 4.35Å; Y541-L645 HydrophobicContact CG-CD2 4.34Å
542Y94.4Very high88.3Confident0 Ų025.7 Ų25.70%014%0.136CC..Hα-helixtrans-64.7-44170.8-90.7-54.7000113.3C513 T516 L518 I530 L533 W538 R539 F540 C544 G545 L546 G640 P641 S644C513-Y542 HydrophobicContact CB-CE2 4.36Å; C513-Y542 PolarHBondContact O-OH 3.32Å; T516-Y542 PolarHBondContact O-OH 3.13Å; L518-Y542 HydrophobicContact CB-CD1 4.28Å; L518-Y542 HydrophobicContact CB-CE1 3.7Å; L518-Y542 HydrophobicContact CD1-CD1 4.08Å; L518-Y542 HydrophobicContact CD1-CE1 3.57Å; L518-Y542 HydrophobicContact CG-CD1 4.43Å; L518-Y542 HydrophobicContact CG-CE1 3.6Å; I530-Y542 HydrophobicContact CB-CD2 4.49Å; I530-Y542 HydrophobicContact CD1-CD1 3.82Å; I530-Y542 HydrophobicContact CD1-CD2 4.29Å; I530-Y542 HydrophobicContact CD1-CE1 4.47Å; I530-Y542 HydrophobicContact CD1-CG 3.75Å; I530-Y542 HydrophobicContact CG1-CD1 4.37Å; I530-Y542 HydrophobicContact CG1-CD2 4.02Å; I530-Y542 HydrophobicContact CG1-CE2 4.44Å; I530-Y542 HydrophobicContact CG1-CG 4.01Å; I530-Y542 HydrophobicContact CG2-CD2 3.76Å; I530-Y542 HydrophobicContact CG2-CG 3.85Å; L533-Y542 HydrophobicContact CD1-CD2 4Å; L533-Y542 HydrophobicContact CD1-CE2 3.93Å; W538-Y542 WeakPolarHBondContact O-CB 3.23Å; W538-Y542 WeakPolarHBondContact O-CD2 3.3Å; W538-Y542 PolarHBondContact O-N 3.4Å; R539-Y542 PolarHBondContact O-N 3.36Å; F540-Y542 VanDerWaalsContact C-N 3.25Å; F540-Y542 PolarHBondContact O-N 2.66Å; Y542-C544 VanDerWaalsContact C-N 3.31Å; Y542-C544 PolarHBondContact O-N 3.41Å; Y542-G545 PolarHBondContact O-N 3.15Å; Y542-L546 WeakPolarHBondContact O-CB 3.41Å; Y542-L546 WeakPolarHBondContact O-CG 3.3Å; Y542-L546 PolarHBondContact O-N 2.98Å; Y542-G640 VanDerWaalsContact OH-C 3.24Å; Y542-P641 HydrophobicContact CD2-CB 3.96Å; Y542-P641 HydrophobicContact CD2-CG 4.07Å; Y542-P641 HydrophobicContact CE2-CB 3.82Å; Y542-P641 HydrophobicContact CE2-CG 3.55Å; Y542-S644 WeakPolarHBondContact CE1-OG 3.39Å
543H89.8Confident88.2Confident69 Ų6929.7 Ų29.732%0.31915%0.154SC..Hα-helixtrans-57.4-45.5177.4-175.876.2000111.5R539 F540 L548R539-H543 WeakPolarHBondContact O-CB 3.47Å; R539-H543 PolarHBondContact O-N 3.11Å; F540-H543 WeakPolarHBondContact O-CB 3.29Å; F540-H543 PolarHBondContact O-N 3.3Å; F540-H543 VanDerWaalsContact O-N 3.09Å; H543-L548 VanDerWaalsContact CE1-CB 3.49Å; H543-L548 WeakPolarHBondContact CE1-CB 3.41Å; H543-L548 PolarHBondContact CE1-O 3.2Å; H543-L548 PolarHBondContact NE2-O 2.89Å; H543-L548 WeakPolarHBondContact O-CB 3.41Å; H543-L548 PolarHBondContact O-N 2.79Å
544C91.3Very high87.9Confident4 Ų430.2 Ų30.23%0.02716%0.156CC..Hα-helixtrans-69.1-44.1174.5-66.80000112.5F540 Y542 L546 G547 L645 F648F540-C544 PolarHBondContact O-N 3.25Å; Y542-C544 VanDerWaalsContact C-N 3.31Å; Y542-C544 PolarHBondContact O-N 3.41Å; C544-L546 VanDerWaalsContact C-N 3.26Å; C544-L546 PolarHBondContact O-N 3.22Å; C544-G547 WeakPolarHBondContact O-CA 3.29Å; C544-G547 PolarHBondContact O-N 3.04Å; C544-L645 HydrophobicContact CB-CD1 3.36Å; C544-F648 VanDerWaalsContact O-CD1 3.23Å; C544-F648 WeakPolarHBondContact O-CD1 3.43Å; C544-F648 WeakPolarHBondContact O-CE1 3.35Å
545G91.5Very high87.6Confident1 Ų135.2 Ų35.21%0.0118%0.182CC..Hα-helixtrans-69.9-17.3-179.800000114.8Y541 Y542 G547 F648Y541-G545 PolarHBondContact O-N 3.41Å; Y542-G545 PolarHBondContact O-N 3.15Å; G545-G547 VanDerWaalsContact C-N 3.3Å; G545-F648 VanDerWaalsContact O-CB 3.23Å; G545-F648 WeakPolarHBondContact O-CB 3.22Å; G545-F648 WeakPolarHBondContact O-CG 3.24Å
546L90.6Very high87.3Confident10 Ų1037.7 Ų37.75%0.05219%0.194CC..THydrogen-bonded Turntrans-90.33.6168.8-65176000112L518 S519 K520 K527 I530 Y542 C544 L548L518-L546 HydrophobicContact CB-CD2 4.3Å; S519-L546 VanDerWaalsContact C-CD2 3.42Å; S519-L546 WeakPolarHBondContact O-CD2 3.44Å; K520-L546 WeakPolarHBondContact CE-O 3.48Å; K520-L546 VanDerWaalsContact CG-O 3.22Å; K520-L546 WeakPolarHBondContact CG-O 3.48Å; K527-L546 HydrophobicContact CG-CD1 4.17Å; I530-L546 HydrophobicContact CD1-CD1 3.67Å; Y542-L546 WeakPolarHBondContact O-CB 3.41Å; Y542-L546 WeakPolarHBondContact O-CG 3.3Å; Y542-L546 PolarHBondContact O-N 2.98Å; C544-L546 VanDerWaalsContact C-N 3.26Å; C544-L546 PolarHBondContact O-N 3.22Å; L546-L548 VanDerWaalsContact C-N 3.29Å; L546-L548 HydrophobicContact CB-CD1 3.89Å; L546-L548 HydrophobicContact CB-CG 3.8Å; L546-L548 HydrophobicContact CD1-CD1 4.18Å; L546-L548 PolarHBondContact O-N 3Å
547G86.4Confident87Confident15 Ų1540.2 Ų40.216%0.15521%0.211CC..THydrogen-bonded Turntrans58.937.9-177.200000113.3C544 G545C544-G547 WeakPolarHBondContact O-CA 3.29Å; C544-G547 PolarHBondContact O-N 3.04Å; G545-G547 VanDerWaalsContact C-N 3.3Å
548L87.3Confident86.4Confident85 Ų8541.6 Ų41.645%0.44522%0.221SC..  trans-94.7-4.6179.9-57.8175.2000112.9H543 L546 Q550H543-L548 VanDerWaalsContact CE1-CB 3.49Å; H543-L548 WeakPolarHBondContact CE1-CB 3.41Å; H543-L548 PolarHBondContact CE1-O 3.2Å; H543-L548 PolarHBondContact NE2-O 2.89Å; H543-L548 WeakPolarHBondContact O-CB 3.41Å; H543-L548 PolarHBondContact O-N 2.79Å; L546-L548 VanDerWaalsContact C-N 3.29Å; L546-L548 HydrophobicContact CB-CD1 3.89Å; L546-L548 HydrophobicContact CB-CG 3.8Å; L546-L548 HydrophobicContact CD1-CD1 4.18Å; L546-L548 PolarHBondContact O-N 3Å; L548-Q550 PolarHBondContact O-N 3.45Å
549L85.7Confident85.9Confident9 Ų942.4 Ų42.45%0.04723%0.226CC..  trans-73.8110.2173.5-170.569.3000109V605 L607L549-V605 HydrophobicContact CB-CB 4.38Å; L549-V605 HydrophobicContact CD2-CB 4.04Å; L549-V605 HydrophobicContact CD2-CG1 3.83Å; L549-V605 HydrophobicContact CG-CB 3.95Å; L549-V605 HydrophobicContact CG-CG1 4.12Å; L549-V605 WeakPolarHBondContact O-CB 3.44Å; L549-V605 PolarHBondContact O-N 3.13Å; L549-L607 HydrophobicContact CD2-CB 4.47Å
550Q83.8Confident85.6Confident172 Ų17241.5 Ų41.580%0.80422%0.222SC*.  trans-103.6-20.2-173.1-69178-6.300113.9L548 V605L548-Q550 PolarHBondContact O-N 3.45Å; Q550-V605 VanDerWaalsContact C-CG2 3.41Å; Q550-V605 WeakPolarHBondContact O-CG2 3.18Å
551S84.3Confident85.2Confident44 Ų4446.8 Ų46.831%0.30825%0.245SC..SBendtrans-145.6173.5-179.670.80000110.3E553S551-E553 PolarHBondContact O-N 2.92Å; S551-E553 PolarHBondContact OG-N 2.89Å; S551-E553 PolarHBondContact OG-O 2.83Å
552N85Confident84.4Confident47 Ų4748 Ų4825%0.25125%0.251SS..SBendtrans-79.33.7171.167.1-43.4000113.3C594 T703 D704 L705 V706N552-C594 HydrophobicContact CB-CB 3.8Å; N552-T703 WeakPolarHBondContact CB-OG1 3.39Å; N552-D704 PolarHBondContact ND2-O 3.15Å; N552-L705 CarbonylContact O-C 3.5Å; N552-V706 PolarHBondContact O-N 2.9Å
553E85.9Confident83.9Confident95 Ų9548 Ų4844%0.44425%0.251SS..EExtended strand (participates in β ladder)trans-105.9122.9180-59.2-168.915900111.4S551 N555 V706S551-E553 PolarHBondContact O-N 2.92Å; S551-E553 PolarHBondContact OG-N 2.89Å; S551-E553 PolarHBondContact OG-O 2.83Å; E553-N555 PolarHBondContact O-N 3.29Å; E553-V706 HydrophobicContact CG-CB 3.97Å; E553-V706 HydrophobicContact CG-CG1 4.25Å; E553-V706 HydrophobicContact CG-CG2 4.43Å
554I82.6Confident83.7Confident11 Ų1147.1 Ų47.16%0.05625%0.25CC..EExtended strand (participates in β ladder)trans-90.2103.5173-59-175.1000109.8F540 I559 M563 L705 V706 L707F540-I554 HydrophobicContact CD2-CD1 4.45Å; F540-I554 HydrophobicContact CE2-CD1 3.5Å; F540-I554 VanDerWaalsContact CE2-CD1 3.5Å; F540-I554 HydrophobicContact CE2-CG1 4.39Å; F540-I554 HydrophobicContact CZ-CD1 3.62Å; I554-I559 HydrophobicContact CG2-CB 4.2Å; I554-I559 HydrophobicContact CG2-CG2 3.98Å; I554-M563 HydrophobicContact CD1-CG 3.96Å; I554-L705 HydrophobicContact CD1-CD1 4.04Å; I554-L705 HydrophobicContact CD1-CD2 3.83Å; I554-L705 HydrophobicContact CD1-CG 4.28Å; I554-L705 HydrophobicContact CG1-CD1 3.95Å; I554-L705 HydrophobicContact CG1-CG 4.43Å; I554-V706 PolarHBondContact N-O 3.06Å; I554-L707 HydrophobicContact CB-CD2 4.38Å; I554-L707 HydrophobicContact CD1-CD2 3.81Å; I554-L707 HydrophobicContact CG1-CD2 4.28Å
555N78.5Confident83.2Confident119 Ų11948.5 Ų48.564%0.63626%0.257SS*.  trans-78.5-19.3-179.6-70.1-30.9000114.5E553 P557E553-N555 PolarHBondContact O-N 3.29Å; N555-P557 VanDerWaalsContact O-CD 3.25Å; N555-P557 WeakPolarHBondContact O-CD 3.5Å
556D79.4Confident82.9Confident62 Ų6249 Ų4933%0.33226%0.259SS..  trans-72.5113.3174.3-179.2-37000109.5V558 I559 S560D556-V558 VanDerWaalsContact C-N 3.26Å; D556-V558 PolarHBondContact O-N 2.72Å; D556-V558 WeakPolarHBondContact OD1-CA 3.45Å; D556-V558 WeakPolarHBondContact OD1-CB 3.45Å; D556-V558 PolarHBondContact OD1-N 3.12Å; D556-I559 HydrophobicContact CB-CB 4Å; D556-I559 HydrophobicContact CB-CD1 4.02Å; D556-I559 HydrophobicContact CB-CG1 4.1Å; D556-I559 PolarHBondContact O-N 2.95Å; D556-I559 PolarHBondContact OD1-N 3.17Å; D556-I559 WeakPolarHBondContact OD2-CD1 3.45Å; D556-S560 WeakPolarHBondContact O-CB 3.41Å; D556-S560 PolarHBondContact O-N 3.41Å
557P77.4Confident82.8Confident60 Ų6052.1 Ų52.139%0.3927%0.27SS..Hα-helixtrans-65.9-28.4-175.327-34.6000112.8N555 K561 T710N555-P557 VanDerWaalsContact O-CD 3.25Å; N555-P557 WeakPolarHBondContact O-CD 3.5Å; P557-K561 VanDerWaalsContact O-CB 3.28Å; P557-K561 WeakPolarHBondContact O-CB 3.45Å; P557-K561 PolarHBondContact O-N 3.36Å; P557-T710 HydrophobicContact CB-CG2 4.13Å
558V76.4Confident82.8Confident47 Ų4757.2 Ų57.229%0.28529%0.288SS..Hα-helixtrans-77.4-45.6-179.6-175.20000110.5D536 D556 K562D536-V558 WeakPolarHBondContact OD1-CG1 3.39Å; D556-V558 VanDerWaalsContact C-N 3.26Å; D556-V558 PolarHBondContact O-N 2.72Å; D556-V558 WeakPolarHBondContact OD1-CA 3.45Å; D556-V558 WeakPolarHBondContact OD1-CB 3.45Å; D556-V558 PolarHBondContact OD1-N 3.12Å; V558-K562 WeakPolarHBondContact O-CG 3.46Å; V558-K562 PolarHBondContact O-N 3.48Å; V558-K562 VanDerWaalsContact O-N 3.15Å
559I80.1Confident82.6Confident17 Ų1754.2 Ų54.29%0.08727%0.273CS..Hα-helixtrans-63.5-46.3174.3-63.9176.7000109.7F540 I554 D556 K561 K562 M563F540-I559 HydrophobicContact CB-CG2 4.18Å; F540-I559 HydrophobicContact CD2-CG2 3.66Å; F540-I559 HydrophobicContact CE2-CG2 4.28Å; F540-I559 HydrophobicContact CG-CG2 4.1Å; I554-I559 HydrophobicContact CG2-CB 4.2Å; I554-I559 HydrophobicContact CG2-CG2 3.98Å; D556-I559 HydrophobicContact CB-CB 4Å; D556-I559 HydrophobicContact CB-CD1 4.02Å; D556-I559 HydrophobicContact CB-CG1 4.1Å; D556-I559 PolarHBondContact O-N 2.95Å; D556-I559 PolarHBondContact OD1-N 3.17Å; D556-I559 WeakPolarHBondContact OD2-CD1 3.45Å; I559-K561 PolarHBondContact O-N 3.3Å; I559-K562 CarbonylContact O-C 3.24Å; I559-K562 PolarHBondContact O-N 3.41Å; I559-M563 HydrophobicContact CG2-CE 4.15Å; I559-M563 HydrophobicContact CG2-CG 4.15Å; I559-M563 WeakPolarHBondContact O-CG 3.37Å; I559-M563 PolarHBondContact O-N 3.17Å
560S82.1Confident82.8Confident0 Ų053.8 Ų53.80%027%0.271CS..Hα-helixtrans-54.7-50.8177.2174.60000111.8D556 K562 M563 V564 L707 C708D556-S560 WeakPolarHBondContact O-CB 3.41Å; D556-S560 PolarHBondContact O-N 3.41Å; S560-K562 VanDerWaalsContact C-N 3.25Å; S560-K562 PolarHBondContact O-N 2.96Å; S560-M563 PolarHBondContact O-N 3.44Å; S560-M563 VanDerWaalsContact O-N 3.11Å; S560-V564 WeakPolarHBondContact O-CG2 3.5Å; S560-V564 PolarHBondContact O-N 3.23Å; S560-L707 VanDerWaalsContact OG-C 3.31Å; S560-C708 WeakPolarHBondContact CB-O 3.39Å; S560-C708 VanDerWaalsContact OG-C 3.27Å; S560-C708 PolarHBondContact OG-N 2.9Å; S560-C708 VanDerWaalsContact OG-N 3.13Å; S560-C708 PolarHBondContact OG-O 2.99Å
561K81.7Confident83.1Confident114 Ų11449 Ų4950%0.49625%0.251SS..Hα-helixtrans-58.2-34.9176-178.5166.5-178.4152.10113.1P557 I559 E711P557-K561 VanDerWaalsContact O-CB 3.28Å; P557-K561 WeakPolarHBondContact O-CB 3.45Å; P557-K561 PolarHBondContact O-N 3.36Å; I559-K561 PolarHBondContact O-N 3.3Å; K561-E711 IonicContact NZ-OE1 2.72Å; K561-E711 PolarHBondContact NZ-OE1 3.17Å
562K78.8Confident83.2Confident27 Ų2755 Ų5512%0.11727%0.267CS..Hα-helixtrans-74.8-38.6175.8-72.2-75.4-175-1780112.3S415 I416 D536 V558 I559 S560 V564 N565 K566S415-K562 PolarHBondContact O-NZ 3.1Å; S415-K562 WeakPolarHBondContact OG-CE 3.47Å; S415-K562 PolarHBondContact OG-NZ 2.79Å; I416-K562 PolarHBondContact O-NZ 3.35Å; D536-K562 HydrophobicContact CB-CB 4.08Å; D536-K562 HydrophobicContact CB-CG 3.76Å; D536-K562 WeakPolarHBondContact OD2-CE 3.25Å; D536-K562 WeakPolarHBondContact OD2-CG 3.24Å; V558-K562 WeakPolarHBondContact O-CG 3.46Å; V558-K562 PolarHBondContact O-N 3.48Å; V558-K562 VanDerWaalsContact O-N 3.15Å; I559-K562 CarbonylContact O-C 3.24Å; I559-K562 PolarHBondContact O-N 3.41Å; S560-K562 VanDerWaalsContact C-N 3.25Å; S560-K562 PolarHBondContact O-N 2.96Å; K562-V564 VanDerWaalsContact C-N 3.25Å; K562-V564 PolarHBondContact O-N 3.47Å; K562-N565 WeakPolarHBondContact O-CB 3.38Å; K562-N565 PolarHBondContact O-N 3.3Å; K562-K566 PolarHBondContact O-N 3.41Å
563M83.8Confident83.4Confident0 Ų052.9 Ų52.90%026%0.255CS..Hα-helixtrans-63.1-31.2173.6-69.3-56.6144.600112.3Y537 F540 I554 I559 S560 N565 K566 R567 F592 L707Y537-M563 HydrophobicContact CD1-CE 3.73Å; Y537-M563 HydrophobicContact CE1-CE 4.06Å; Y537-M563 HydrophobicContact CE1-SD 4.48Å; F540-M563 HydrophobicContact CB-CE 3.59Å; F540-M563 HydrophobicContact CD1-CE 3.02Å; F540-M563 HydrophobicContact CD1-SD 3.8Å; F540-M563 HydrophobicContact CD2-CE 4.15Å; F540-M563 HydrophobicContact CE1-CE 3.52Å; F540-M563 HydrophobicContact CE1-CG 4.39Å; F540-M563 HydrophobicContact CE1-SD 3.62Å; F540-M563 HydrophobicContact CG-CE 3.34Å; F540-M563 HydrophobicContact CG-SD 4.48Å; F540-M563 HydrophobicContact CZ-CE 4.32Å; F540-M563 HydrophobicContact CZ-SD 4.32Å; I554-M563 HydrophobicContact CD1-CG 3.96Å; I559-M563 HydrophobicContact CG2-CE 4.15Å; I559-M563 HydrophobicContact CG2-CG 4.15Å; I559-M563 WeakPolarHBondContact O-CG 3.37Å; I559-M563 PolarHBondContact O-N 3.17Å; S560-M563 PolarHBondContact O-N 3.44Å; S560-M563 VanDerWaalsContact O-N 3.11Å; M563-N565 VanDerWaalsContact C-N 3.29Å; M563-N565 PolarHBondContact O-N 3.48Å; M563-K566 PolarHBondContact O-N 3.08Å; M563-K566 HydrophobicContact SD-CB 4.4Å; M563-K566 HydrophobicContact SD-CD 4.02Å; M563-R567 WeakPolarHBondContact O-CB 3.45Å; M563-R567 PolarHBondContact O-N 3.4Å; M563-F592 HydrophobicContact CB-CE1 4.46Å; M563-L707 HydrophobicContact CB-CD1 3.91Å; M563-L707 HydrophobicContact CB-CD2 3.55Å; M563-L707 HydrophobicContact CB-CG 4.4Å; M563-L707 HydrophobicContact CG-CD2 4.34Å
564V84.4Confident83.6Confident50 Ų5049.9 Ų49.930%0.30324%0.241SC..Hα-helixtrans-60.5-39.6170.7172.50000111.5S560 K562 R567 K568 L707S560-V564 WeakPolarHBondContact O-CG2 3.5Å; S560-V564 PolarHBondContact O-N 3.23Å; K562-V564 VanDerWaalsContact C-N 3.25Å; K562-V564 PolarHBondContact O-N 3.47Å; V564-R567 PolarHBondContact O-N 3.48Å; V564-K568 PolarHBondContact O-N 3.16Å; V564-L707 HydrophobicContact CB-CD1 4.45Å; V564-L707 HydrophobicContact CG2-CB 4.12Å; V564-L707 HydrophobicContact CG2-CD1 3.72Å
565N81.3Confident84Confident34 Ų3457 Ų5718%0.18227%0.269CS..Hα-helixtrans-71.7-38.6176-67.8-38.3000111.8K562 M563 R567 K568 V569K562-N565 WeakPolarHBondContact O-CB 3.38Å; K562-N565 PolarHBondContact O-N 3.3Å; M563-N565 VanDerWaalsContact C-N 3.29Å; M563-N565 PolarHBondContact O-N 3.48Å; N565-R567 VanDerWaalsContact C-N 3.31Å; N565-R567 PolarHBondContact O-N 3.2Å; N565-K568 PolarHBondContact O-N 3.01Å; N565-V569 WeakPolarHBondContact O-CG2 3.47Å; N565-V569 PolarHBondContact O-N 3.19Å
566K86.3Confident84.5Confident11 Ų1152 Ų525%0.04824%0.244CC..Hα-helixtrans-60.2-42.1172.1-163.9-178.6179.6-1700111.2Y537 Y541 K562 M563 K568 V569 V570 F592 D609 V630Y537-K566 HydrophobicContact CD1-CD 4.19Å; Y537-K566 HydrophobicContact CE1-CB 3.73Å; Y537-K566 HydrophobicContact CE1-CD 3.85Å; Y537-K566 HydrophobicContact CE1-CG 4.05Å; Y541-K566 PolarHBondContact OH-NZ 3.1Å; K562-K566 PolarHBondContact O-N 3.41Å; M563-K566 PolarHBondContact O-N 3.08Å; M563-K566 HydrophobicContact SD-CB 4.4Å; M563-K566 HydrophobicContact SD-CD 4.02Å; K566-K568 PolarHBondContact O-N 3.46Å; K566-V569 WeakPolarHBondContact O-CA 3.14Å; K566-V569 WeakPolarHBondContact O-CB 3.28Å; K566-V569 PolarHBondContact O-N 3.38Å; K566-V570 HydrophobicContact CG-CG2 4.27Å; K566-V570 WeakPolarHBondContact O-CG2 3.32Å; K566-V570 PolarHBondContact O-N 3.1Å; K566-F592 HydrophobicContact CB-CZ 3.92Å; K566-F592 HydrophobicContact CD-CZ 4.21Å; K566-F592 HydrophobicContact CG-CZ 3.94Å; K566-D609 WeakPolarHBondContact CE-OD1 3.46Å; K566-D609 WeakPolarHBondContact CE-OD2 3.27Å; K566-D609 IonicContact NZ-OD1 2.81Å; K566-D609 PolarHBondContact NZ-OD1 3.44Å; K566-D609 IonicContact NZ-OD2 2.9Å; K566-D609 PolarHBondContact NZ-OD2 3.14Å; K566-V630 WeakPolarHBondContact CE-O 3.43Å; K566-V630 PolarHBondContact NZ-O 3.29Å; K566-V630 VanDerWaalsContact NZ-O 3.14Å
567R87.3Confident85Confident75 Ų7549.1 Ų49.128%0.28323%0.228SC..Hα-helixtrans-56.2-50176.6-175.4174.9-83.9178.7-5.2112M563 V564 N565 V569 V570 D571 F592 L705M563-R567 WeakPolarHBondContact O-CB 3.45Å; M563-R567 PolarHBondContact O-N 3.4Å; V564-R567 PolarHBondContact O-N 3.48Å; N565-R567 VanDerWaalsContact C-N 3.31Å; N565-R567 PolarHBondContact O-N 3.2Å; R567-V569 PolarHBondContact O-N 3.02Å; R567-V570 PolarHBondContact O-N 2.96Å; R567-V570 VanDerWaalsContact O-N 3.16Å; R567-D571 WeakPolarHBondContact O-CB 3.46Å; R567-D571 PolarHBondContact O-N 3.08Å; R567-F592 VanDerWaalsContact CA-CZ 3.45Å; R567-F592 HydrophobicContact CB-CD1 4.36Å; R567-F592 HydrophobicContact CB-CD2 4.01Å; R567-F592 HydrophobicContact CB-CE1 4.09Å; R567-F592 HydrophobicContact CB-CE2 3.76Å; R567-F592 HydrophobicContact CB-CG 4.33Å; R567-F592 HydrophobicContact CB-CZ 3.79Å; R567-F592 HydrophobicContact CG-CD2 3.9Å; R567-F592 HydrophobicContact CG-CE2 4.12Å; R567-F592 HydrophobicContact CG-CG 4.22Å; R567-F592 VanDerWaalsContact N-CZ 3.31Å; R567-F592 VanDerWaalsContact NH2-CB 3.29Å; R567-L705 PolarHBondContact NH2-O 3.18Å
568K86.5Confident85.5Confident122 Ų12250.2 Ų50.253%0.5323%0.23SC..Hα-helixtrans-55.5-32.2175.2-68174-176.9172.70113.8V564 N565 K566 R572V564-K568 PolarHBondContact O-N 3.16Å; N565-K568 PolarHBondContact O-N 3.01Å; K566-K568 PolarHBondContact O-N 3.46Å; K568-R572 WeakPolarHBondContact O-CG 3.31Å
569V84.2Confident86Confident23 Ų2354 Ų5414%0.13924%0.243CC..Hα-helixtrans-80.6-43.9-177.5168.70000110.5T419 N565 K566 R567 R572 I573 I662T419-V569 HydrophobicContact CG2-CG2 3.95Å; N565-V569 WeakPolarHBondContact O-CG2 3.47Å; N565-V569 PolarHBondContact O-N 3.19Å; K566-V569 WeakPolarHBondContact O-CA 3.14Å; K566-V569 WeakPolarHBondContact O-CB 3.28Å; K566-V569 PolarHBondContact O-N 3.38Å; R567-V569 PolarHBondContact O-N 3.02Å; V569-R572 WeakPolarHBondContact O-CB 3.5Å; V569-R572 PolarHBondContact O-N 3.2Å; V569-I573 PolarHBondContact O-N 3.05Å; V569-I662 HydrophobicContact CB-CD1 4.44Å; V569-I662 HydrophobicContact CG1-CD1 3.03Å; V569-I662 HydrophobicContact CG1-CG1 4.44Å
570V89.6Confident86.1Confident0 Ų054 Ų540%024%0.243CC..Hα-helixtrans-65.4-39.5173.4171.10000111.5K566 R567 R572 I573 H574 A591 F592 D609 I610 V630K566-V570 HydrophobicContact CG-CG2 4.27Å; K566-V570 WeakPolarHBondContact O-CG2 3.32Å; K566-V570 PolarHBondContact O-N 3.1Å; R567-V570 PolarHBondContact O-N 2.96Å; R567-V570 VanDerWaalsContact O-N 3.16Å; V570-R572 PolarHBondContact O-N 3.24Å; V570-I573 CarbonylContact O-C 3.57Å; V570-I573 WeakPolarHBondContact O-CA 3.47Å; V570-I573 WeakPolarHBondContact O-CB 3.46Å; V570-I573 PolarHBondContact O-N 2.92Å; V570-H574 WeakPolarHBondContact O-CB 3.17Å; V570-H574 PolarHBondContact O-N 2.83Å; V570-A591 HydrophobicContact CG1-CB 4.42Å; V570-F592 HydrophobicContact CB-CD2 4.27Å; V570-F592 HydrophobicContact CB-CE2 3.59Å; V570-F592 HydrophobicContact CG1-CD2 4.08Å; V570-F592 HydrophobicContact CG1-CE2 3.85Å; V570-F592 HydrophobicContact CG2-CE2 3.64Å; V570-F592 HydrophobicContact CG2-CZ 4.27Å; V570-D609 HydrophobicContact CG1-CB 4.47Å; V570-D609 WeakPolarHBondContact CG1-O 3.42Å; V570-D609 HydrophobicContact CG2-CB 4.26Å; V570-I610 HydrophobicContact CG1-CD1 3.95Å; V570-I610 HydrophobicContact CG1-CG1 3.59Å; V570-V630 HydrophobicContact CG2-CB 3.95Å; V570-V630 HydrophobicContact CG2-CG1 4.19Å; V570-V630 HydrophobicContact CG2-CG2 4.12Å
571D89.3Confident85.8Confident71 Ų7155 Ų5538%0.3825%0.248SC..Hα-helixtrans-57.4-34.6176.9-67.3-22.2000111.7R567 Y575R567-D571 WeakPolarHBondContact O-CB 3.46Å; R567-D571 PolarHBondContact O-N 3.08Å; D571-Y575 WeakPolarHBondContact O-CB 3.45Å; D571-Y575 PolarHBondContact O-N 3.23Å
572R87.2Confident85.3Confident171 Ų17158.3 Ų58.365%0.64526%0.263SS*.Hα-helixtrans-68.1-39.9174.6-68.9172.8-178.4-172.7-0.8112.3K568 V569 V570 A576K568-R572 WeakPolarHBondContact O-CG 3.31Å; V569-R572 WeakPolarHBondContact O-CB 3.5Å; V569-R572 PolarHBondContact O-N 3.2Å; V570-R572 PolarHBondContact O-N 3.24Å; R572-A576 PolarHBondContact O-N 3.19Å; R572-A576 VanDerWaalsContact O-N 3.07Å
573I89.2Confident84.7Confident1 Ų162.5 Ų62.51%0.00529%0.286CS..Hα-helixtrans-69.9-44.8175.9-67.2-59.5000110.8V569 V570 Y575 A576 F577 I610 F660 I662 W665V569-I573 PolarHBondContact O-N 3.05Å; V570-I573 CarbonylContact O-C 3.57Å; V570-I573 WeakPolarHBondContact O-CA 3.47Å; V570-I573 WeakPolarHBondContact O-CB 3.46Å; V570-I573 PolarHBondContact O-N 2.92Å; I573-Y575 VanDerWaalsContact C-N 3.28Å; I573-Y575 PolarHBondContact O-N 3.47Å; I573-A576 CarbonylContact O-C 3.58Å; I573-A576 WeakPolarHBondContact O-CA 3.31Å; I573-A576 WeakPolarHBondContact O-CB 3.45Å; I573-A576 PolarHBondContact O-N 3.27Å; I573-F577 HydrophobicContact CG2-CD1 4.22Å; I573-F577 HydrophobicContact CG2-CD2 4.04Å; I573-F577 HydrophobicContact CG2-CE1 3.74Å; I573-F577 HydrophobicContact CG2-CE2 3.51Å; I573-F577 HydrophobicContact CG2-CG 4.39Å; I573-F577 HydrophobicContact CG2-CZ 3.35Å; I573-F577 WeakPolarHBondContact O-CG 3.42Å; I573-F577 PolarHBondContact O-N 3.37Å; I573-I610 HydrophobicContact CG2-CD1 4.17Å; I573-F660 HydrophobicContact CD1-CE1 3.92Å; I573-F660 HydrophobicContact CG1-CE1 4.46Å; I573-F660 HydrophobicContact CG2-CD1 4.21Å; I573-F660 HydrophobicContact CG2-CE1 4.12Å; I573-I662 HydrophobicContact CD1-CD1 4.06Å; I573-I662 HydrophobicContact CD1-CG1 3.87Å; I573-I662 HydrophobicContact CG1-CD1 3.53Å; I573-I662 HydrophobicContact CG1-CG1 3.82Å; I573-W665 HydrophobicContact CD1-CD2 3.53Å; I573-W665 HydrophobicContact CD1-CE3 3.15Å; I573-W665 HydrophobicContact CD1-CG 4.27Å; I573-W665 HydrophobicContact CD1-CH2 3.76Å; I573-W665 HydrophobicContact CD1-CZ2 4.14Å; I573-W665 HydrophobicContact CD1-CZ3 3.26Å; I573-W665 HydrophobicContact CG1-CZ3 4.5Å
574H90.2Very high84.3Confident32 Ų3264.1 Ų64.115%0.14829%0.293CS..Hα-helixtrans-54.4-45.1173.3-178.5-102.2000111.3V570 A576 F577 L578 M589 I610V570-H574 WeakPolarHBondContact O-CB 3.17Å; V570-H574 PolarHBondContact O-N 2.83Å; H574-A576 PolarHBondContact O-N 2.62Å; H574-F577 WeakPolarHBondContact O-CB 3.47Å; H574-F577 PolarHBondContact O-N 3.36Å; H574-L578 WeakPolarHBondContact O-CG 3.27Å; H574-L578 PolarHBondContact O-N 3.45Å; H574-M589 WeakPolarHBondContact NE2-CB 3.4Å; H574-M589 PolarHBondContact NE2-O 2.84Å; H574-I610 HydrophobicContact CB-CD1 4.22Å
575Y89.5Confident83.3Confident162 Ų16267.3 Ų67.364%0.63531%0.313SS*.Hα-helixtrans-62.6-39.9173-176.8-96.8000113D571 I573 F577 L578 K579D571-Y575 WeakPolarHBondContact O-CB 3.45Å; D571-Y575 PolarHBondContact O-N 3.23Å; I573-Y575 VanDerWaalsContact C-N 3.28Å; I573-Y575 PolarHBondContact O-N 3.47Å; Y575-F577 VanDerWaalsContact C-N 3.34Å; Y575-L578 PolarHBondContact O-N 3.39Å; Y575-K579 PolarHBondContact O-N 2.87Å
576A88.9Confident83.1Confident14 Ų1471.6 Ų71.612%0.11633%0.332CS..Hα-helixtrans-64.4-38.2175.800000112.3R572 I573 H574 N580 W665R572-A576 PolarHBondContact O-N 3.19Å; R572-A576 VanDerWaalsContact O-N 3.07Å; I573-A576 CarbonylContact O-C 3.58Å; I573-A576 WeakPolarHBondContact O-CA 3.31Å; I573-A576 WeakPolarHBondContact O-CB 3.45Å; I573-A576 PolarHBondContact O-N 3.27Å; H574-A576 PolarHBondContact O-N 2.62Å; A576-N580 PolarHBondContact O-N 3Å; A576-N580 PolarHBondContact O-ND2 2.9Å; A576-W665 HydrophobicContact CB-CH2 4.09Å; A576-W665 HydrophobicContact CB-CZ2 3.63Å
577F91.2Very high83Confident0 Ų071.6 Ų71.60%033%0.332CS..Hα-helixtrans-63.3-50.3172.5-65.2-15.6000110.8I573 H574 Y575 K579 N580 N581 M589 I610 F612 F660 V678 F681 L682I573-F577 HydrophobicContact CG2-CD1 4.22Å; I573-F577 HydrophobicContact CG2-CD2 4.04Å; I573-F577 HydrophobicContact CG2-CE1 3.74Å; I573-F577 HydrophobicContact CG2-CE2 3.51Å; I573-F577 HydrophobicContact CG2-CG 4.39Å; I573-F577 HydrophobicContact CG2-CZ 3.35Å; I573-F577 WeakPolarHBondContact O-CG 3.42Å; I573-F577 PolarHBondContact O-N 3.37Å; H574-F577 WeakPolarHBondContact O-CB 3.47Å; H574-F577 PolarHBondContact O-N 3.36Å; Y575-F577 VanDerWaalsContact C-N 3.34Å; F577-K579 VanDerWaalsContact C-N 3.31Å; F577-K579 PolarHBondContact O-N 2.96Å; F577-N580 CarbonylContact O-C 3.22Å; F577-N580 PolarHBondContact O-N 3.31Å; F577-N581 PolarHBondContact O-N 2.72Å; F577-M589 HydrophobicContact CB-CE 4.33Å; F577-M589 HydrophobicContact CB-SD 3.7Å; F577-M589 HydrophobicContact CD2-SD 4.35Å; F577-I610 HydrophobicContact CD2-CD1 3.8Å; F577-I610 HydrophobicContact CE2-CD1 3.58Å; F577-F612 HydrophobicContact CD2-CE1 4.26Å; F577-F612 AromaticContact CD2-CZ 3.67Å; F577-F612 HydrophobicContact CD2-CZ 3.67Å; F577-F612 HydrophobicContact CE2-CE2 4.43Å; F577-F612 AromaticContact CE2-CZ 3.71Å; F577-F612 HydrophobicContact CE2-CZ 3.71Å; F577-F660 HydrophobicContact CE1-CD2 4.32Å; F577-F660 AromaticContact CE1-CE2 3.93Å; F577-F660 HydrophobicContact CE1-CE2 3.93Å; F577-F660 HydrophobicContact CE1-CZ 4.13Å; F577-F660 HydrophobicContact CZ-CD1 4.46Å; F577-F660 AromaticContact CZ-CD2 3.87Å; F577-F660 HydrophobicContact CZ-CD2 3.87Å; F577-F660 AromaticContact CZ-CE2 3.95Å; F577-F660 HydrophobicContact CZ-CE2 3.95Å; F577-F660 HydrophobicContact CZ-CG 4.13Å; F577-F660 HydrophobicContact CZ-CZ 4.28Å; F577-V678 HydrophobicContact CD1-CB 4.32Å; F577-V678 HydrophobicContact CD1-CG1 3.59Å; F577-V678 HydrophobicContact CD1-CG2 3.99Å; F577-V678 HydrophobicContact CE1-CB 4.45Å; F577-V678 HydrophobicContact CE1-CG1 4.15Å; F577-V678 HydrophobicContact CE1-CG2 3.97Å; F577-F681 HydrophobicContact CE1-CD1 4.13Å; F577-F681 HydrophobicContact CE2-CD1 4.3Å; F577-F681 HydrophobicContact CE2-CE1 4.12Å; F577-F681 AromaticContact CZ-CD1 3.69Å; F577-F681 HydrophobicContact CZ-CD1 3.69Å; F577-F681 AromaticContact CZ-CE1 3.85Å; F577-F681 HydrophobicContact CZ-CE1 3.85Å; F577-L682 HydrophobicContact CB-CD2 4.32Å; F577-L682 HydrophobicContact CG-CD2 4.37Å
578L87.4Confident83.1Confident83 Ų8370.3 Ų70.344%0.43533%0.334SS..Hα-helixtrans-54.7-42.6177-76.6170.5000113.1H574 Y575 N580 N581 M589H574-L578 WeakPolarHBondContact O-CG 3.27Å; H574-L578 PolarHBondContact O-N 3.45Å; Y575-L578 PolarHBondContact O-N 3.39Å; L578-N580 PolarHBondContact O-N 3.1Å; L578-N581 WeakPolarHBondContact O-CB 3.45Å; L578-N581 PolarHBondContact O-N 2.99Å; L578-M589 HydrophobicContact CD2-CE 3.55Å; L578-M589 HydrophobicContact CG-CE 3.95Å
579K86.1Confident83.3Confident128 Ų12865.2 Ų65.256%0.55731%0.313SS*.Hα-helixtrans-62.3-33.1177.9-170.1-171.3173.1-151.10112.4Y575 F577 E675Y575-K579 PolarHBondContact O-N 2.87Å; F577-K579 VanDerWaalsContact C-N 3.31Å; F577-K579 PolarHBondContact O-N 2.96Å; K579-E675 IonicContact NZ-OE1 2.62Å; K579-E675 PolarHBondContact NZ-OE1 3.04Å; K579-E675 VanDerWaalsContact NZ-OE1 3.16Å
580N82.5Confident83.6Confident15 Ų1567.2 Ų67.28%0.0832%0.323CS..Hα-helixtrans-92.5-7.2179-73.1-83.6000113.2A576 F577 L578 K582 L583 V678 Q679 L682A576-N580 PolarHBondContact O-N 3Å; A576-N580 PolarHBondContact O-ND2 2.9Å; F577-N580 CarbonylContact O-C 3.22Å; F577-N580 PolarHBondContact O-N 3.31Å; L578-N580 PolarHBondContact O-N 3.1Å; N580-K582 PolarHBondContact O-N 2.82Å; N580-K582 VanDerWaalsContact O-N 3.1Å; N580-L583 PolarHBondContact O-N 3.29Å; N580-V678 HydrophobicContact CB-CG1 3.69Å; N580-Q679 HydrophobicContact CB-CG 4.42Å; N580-Q679 PolarHBondContact OD1-NE2 3.14Å; N580-L682 HydrophobicContact CB-CD1 4.06Å
581N75.3Confident83.7Confident22 Ų2268.3 Ų68.312%0.11833%0.332CS..G310 helixtrans-68.3-8.8-176.8-15836.7000114F577 L578 L583 F584 T585 L587 M589F577-N581 PolarHBondContact O-N 2.72Å; L578-N581 WeakPolarHBondContact O-CB 3.45Å; L578-N581 PolarHBondContact O-N 2.99Å; N581-L583 PolarHBondContact O-N 3.34Å; N581-L583 VanDerWaalsContact O-N 3.08Å; N581-F584 CarbonylContact O-C 3.57Å; N581-F584 VanDerWaalsContact O-C 3.22Å; N581-F584 WeakPolarHBondContact O-CA 3.46Å; N581-F584 PolarHBondContact O-N 3.42Å; N581-F584 PolarHBondContact OD1-O 3.23Å; N581-F584 VanDerWaalsContact OD1-O 3.09Å; N581-T585 PolarHBondContact O-N 3Å; N581-L587 PolarHBondContact ND2-O 3.41Å; N581-M589 HydrophobicContact CB-CE 4.1Å
582K72.6Confident83.8Confident184 Ų18465 Ų6580%0.831%0.314SS*.G310 helixtrans-57.4-23.1173.7-68.3-172.2178.7-1750113N580 F584N580-K582 PolarHBondContact O-N 2.82Å; N580-K582 VanDerWaalsContact O-N 3.1Å; K582-F584 VanDerWaalsContact C-N 3.34Å
583L66.3Low83.9Confident114 Ų11457.3 Ų57.360%0.59729%0.285SS*.G310 helixtrans-81.4-12.9175.1-65.9169.1000113.2N580 N581 Q679N580-L583 PolarHBondContact O-N 3.29Å; N581-L583 PolarHBondContact O-N 3.34Å; N581-L583 VanDerWaalsContact O-N 3.08Å; L583-Q679 HydrophobicContact CD1-CG 4.01Å
584F73.9Confident84Confident35 Ų3557.2 Ų57.215%0.15429%0.285CS..SBendtrans-138.655.7-172.4-53-85.4000110.3N581 K582 E586 L587 L682 R683N581-F584 CarbonylContact O-C 3.57Å; N581-F584 VanDerWaalsContact O-C 3.22Å; N581-F584 WeakPolarHBondContact O-CA 3.46Å; N581-F584 PolarHBondContact O-N 3.42Å; N581-F584 PolarHBondContact OD1-O 3.23Å; N581-F584 VanDerWaalsContact OD1-O 3.09Å; K582-F584 VanDerWaalsContact C-N 3.34Å; F584-E586 PolarHBondContact O-N 3.07Å; F584-L587 HydrophobicContact CB-CD1 3.47Å; F584-L587 VanDerWaalsContact CB-CD1 3.47Å; F584-L587 HydrophobicContact CB-CG 3.86Å; F584-L587 HydrophobicContact CD1-CD1 4.38Å; F584-L587 HydrophobicContact CG-CD1 4.02Å; F584-L587 PolarHBondContact O-N 3Å; F584-L682 HydrophobicContact CD2-CB 3.74Å; F584-L682 HydrophobicContact CD2-CD1 4Å; F584-L682 HydrophobicContact CD2-CG 4.49Å; F584-L682 HydrophobicContact CE2-CB 3.42Å; F584-L682 VanDerWaalsContact CE2-CB 3.42Å; F584-L682 HydrophobicContact CE2-CD1 4.12Å; F584-L682 HydrophobicContact CE2-CG 4.43Å; F584-L682 HydrophobicContact CG-CB 4.48Å; F584-L682 HydrophobicContact CZ-CB 3.92Å; F584-R683 HydrophobicContact CE1-CB 4.34Å; F584-R683 HydrophobicContact CZ-CB 4.1Å
585T64.3Low84Confident116 Ų11655.8 Ų55.871%0.71228%0.278SS*.THydrogen-bonded Turntrans-57.3-15.7-166.343.40000115.9N581N581-T585 PolarHBondContact O-N 3Å
586E76.3Confident83.9Confident125 Ų12551 Ų5158%0.58426%0.263SS*.THydrogen-bonded Turntrans-93.1-4.5-177.8-62.5175.5-173.600113.6F584 Q614F584-E586 PolarHBondContact O-N 3.07Å; E586-Q614 HydrophobicContact CB-CG 4.3Å; E586-Q614 PolarHBondContact OE2-NE2 3.13Å
587L85.2Confident83.4Confident10 Ų1051.2 Ų51.25%0.05226%0.261CS..  trans-86.3116.4179.8-61.4-177.7000111.4N581 F584 Q614 L689N581-L587 PolarHBondContact ND2-O 3.41Å; F584-L587 HydrophobicContact CB-CD1 3.47Å; F584-L587 VanDerWaalsContact CB-CD1 3.47Å; F584-L587 HydrophobicContact CB-CG 3.86Å; F584-L587 HydrophobicContact CD1-CD1 4.38Å; F584-L587 HydrophobicContact CG-CD1 4.02Å; F584-L587 PolarHBondContact O-N 3Å; L587-Q614 HydrophobicContact CD2-CB 4.12Å; L587-Q614 HydrophobicContact CD2-CG 4.46Å; L587-L689 HydrophobicContact CD2-CD1 3.24Å
588S88.5Confident82.4Confident48 Ų4854.6 Ų54.634%0.33628%0.283SS..EExtended strand (participates in β ladder)trans-92.9146.7164.764.40000110.7K613S588-K613 PolarHBondContact N-O 3.49Å; S588-K613 PolarHBondContact O-N 3.25Å; S588-K613 VanDerWaalsContact OG-CB 3.24Å; S588-K613 WeakPolarHBondContact OG-CB 3.5Å; S588-K613 WeakPolarHBondContact OG-CG 3.22Å; S588-K613 PolarHBondContact OG-O 3.16Å
589M90.9Very high81.2Confident16 Ų1653.7 Ų53.78%0.07928%0.279CS..EExtended strand (participates in β ladder)trans-136.5131.3-175.2-69.9173.1-81.900110.2H574 F577 L578 N581 I610 L611 F612H574-M589 WeakPolarHBondContact NE2-CB 3.4Å; H574-M589 PolarHBondContact NE2-O 2.84Å; F577-M589 HydrophobicContact CB-CE 4.33Å; F577-M589 HydrophobicContact CB-SD 3.7Å; F577-M589 HydrophobicContact CD2-SD 4.35Å; L578-M589 HydrophobicContact CD2-CE 3.55Å; L578-M589 HydrophobicContact CG-CE 3.95Å; N581-M589 HydrophobicContact CB-CE 4.1Å; M589-I610 HydrophobicContact CB-CG2 4.42Å; M589-L611 WeakPolarHBondContact CA-O 3.44Å; M589-F612 HydrophobicContact CG-CD1 3.42Å; M589-F612 VanDerWaalsContact CG-CD1 3.42Å; M589-F612 HydrophobicContact CG-CE1 3.53Å; M589-F612 HydrophobicContact CG-CG 4.3Å; M589-F612 HydrophobicContact CG-CZ 4.47Å; M589-F612 HydrophobicContact SD-CD1 3.92Å; M589-F612 HydrophobicContact SD-CE1 3.38Å; M589-F612 WeakPolarHBondContact SD-CE1 3.45Å; M589-F612 HydrophobicContact SD-CZ 4.21Å
590N91.4Very high79.6Confident64 Ų6453 Ų5334%0.34229%0.29SS..EExtended strand (participates in β ladder)trans-124123.6175.2-66.3-27000109.5Q593 L611N590-Q593 HydrophobicContact CB-CG 3.49Å; N590-Q593 VanDerWaalsContact CB-CG 3.49Å; N590-L611 PolarHBondContact N-O 3.46Å; N590-L611 PolarHBondContact O-N 3.45Å
591A91.2Very high78.4Confident23 Ų2358.8 Ų58.819%0.1932%0.321CS..EExtended strand (participates in β ladder)trans-81.2149.7176.200000111.6V570 Q593 D609V570-A591 HydrophobicContact CG1-CB 4.42Å; A591-Q593 PolarHBondContact O-N 3.13Å; A591-Q593 PolarHBondContact O-NE2 3.2Å; A591-D609 CarbonylContact C-O 3.55Å; A591-D609 WeakPolarHBondContact CA-O 3.46Å
592F90.9Very high77.7Confident1 Ų162.8 Ų62.80%0.00434%0.343CS..EExtended strand (participates in β ladder)trans49.758.2172.7-85.3-103.5000114M563 K566 R567 V570 A608 D609 L705M563-F592 HydrophobicContact CB-CE1 4.46Å; K566-F592 HydrophobicContact CB-CZ 3.92Å; K566-F592 HydrophobicContact CD-CZ 4.21Å; K566-F592 HydrophobicContact CG-CZ 3.94Å; R567-F592 VanDerWaalsContact CA-CZ 3.45Å; R567-F592 HydrophobicContact CB-CD1 4.36Å; R567-F592 HydrophobicContact CB-CD2 4.01Å; R567-F592 HydrophobicContact CB-CE1 4.09Å; R567-F592 HydrophobicContact CB-CE2 3.76Å; R567-F592 HydrophobicContact CB-CG 4.33Å; R567-F592 HydrophobicContact CB-CZ 3.79Å; R567-F592 HydrophobicContact CG-CD2 3.9Å; R567-F592 HydrophobicContact CG-CE2 4.12Å; R567-F592 HydrophobicContact CG-CG 4.22Å; R567-F592 VanDerWaalsContact N-CZ 3.31Å; R567-F592 VanDerWaalsContact NH2-CB 3.29Å; V570-F592 HydrophobicContact CB-CD2 4.27Å; V570-F592 HydrophobicContact CB-CE2 3.59Å; V570-F592 HydrophobicContact CG1-CD2 4.08Å; V570-F592 HydrophobicContact CG1-CE2 3.85Å; V570-F592 HydrophobicContact CG2-CE2 3.64Å; V570-F592 HydrophobicContact CG2-CZ 4.27Å; F592-A608 CarbonylContact C-O 3.08Å; F592-A608 WeakPolarHBondContact CA-O 3.49Å; F592-D609 PolarHBondContact N-O 3.16Å; F592-L705 HydrophobicContact CB-CB 4.48Å; F592-L705 HydrophobicContact CD1-CD2 3.75Å; F592-L705 HydrophobicContact CE1-CD2 4.32Å; F592-L705 WeakPolarHBondContact O-CB 3.29Å; F592-L705 PolarHBondContact O-N 3.16Å
593Q90.9Very high77.6Confident10 Ų1058.5 Ų58.55%0.04734%0.336CS..EExtended strand (participates in β ladder)trans-96.7145.3179.5-64.8-62.8-61.100111.4N590 A591 A608 L611 T703 D704N590-Q593 HydrophobicContact CB-CG 3.49Å; N590-Q593 VanDerWaalsContact CB-CG 3.49Å; A591-Q593 PolarHBondContact O-N 3.13Å; A591-Q593 PolarHBondContact O-NE2 3.2Å; Q593-A608 HydrophobicContact CB-CB 4.44Å; Q593-A608 PolarHBondContact N-O 3.4Å; Q593-A608 PolarHBondContact O-N 3.27Å; Q593-L611 HydrophobicContact CB-CB 4.14Å; Q593-L611 HydrophobicContact CB-CD2 4.18Å; Q593-L611 HydrophobicContact CG-CB 4Å; Q593-L611 HydrophobicContact CG-CD2 4.24Å; Q593-T703 CarbonylContact C-O 3.57Å; Q593-T703 PolarHBondContact OE1-O 2.61Å; Q593-D704 PolarHBondContact NE2-OD1 3.26Å
594C91Very high78.5Confident0 Ų053.9 Ų53.90%031%0.312CS..EExtended strand (participates in β ladder)trans-98136159.5-70.90000109N552 V605 Y606 T702 T703 L705N552-C594 HydrophobicContact CB-CB 3.8Å; C594-V605 HydrophobicContact CB-CG1 3.76Å; C594-Y606 CarbonylContact C-O 3.57Å; C594-Y606 VanDerWaalsContact CA-O 3.25Å; C594-Y606 WeakPolarHBondContact CA-O 3.3Å; C594-T702 CarbonylContact O-C 3.46Å; C594-T702 VanDerWaalsContact O-CA 3.3Å; C594-T702 WeakPolarHBondContact O-CA 3.34Å; C594-T703 PolarHBondContact N-O 2.84Å; C594-T703 PolarHBondContact O-N 2.86Å; C594-L705 WeakPolarHBondContact SG-CD1 3.43Å
595I89.9Confident79.1Confident1 Ų152.5 Ų52.51%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-114.8119.3178.3-54.9166.6000106.7Y606 A608 L611 I627 L655 I700 T702I595-Y606 PolarHBondContact N-O 3.44Å; I595-Y606 WeakPolarHBondContact O-CD2 3.24Å; I595-Y606 PolarHBondContact O-N 3.38Å; I595-A608 HydrophobicContact CD1-CB 4.14Å; I595-L611 HydrophobicContact CD1-CD1 3.72Å; I595-L611 HydrophobicContact CD1-CD2 4.22Å; I595-L611 HydrophobicContact CG1-CD2 4.18Å; I595-I627 HydrophobicContact CD1-CD1 3.66Å; I595-I627 HydrophobicContact CD1-CG1 3.63Å; I595-L655 HydrophobicContact CD1-CD1 4.33Å; I595-L655 HydrophobicContact CG2-CD1 4.39Å; I595-I700 HydrophobicContact CG2-CB 4.27Å; I595-I700 HydrophobicContact CG2-CG2 3.62Å; I595-T702 HydrophobicContact CG1-CG2 4.44Å
596L86.7Confident80.4Confident62 Ų6247.1 Ų47.133%0.32527%0.273SS..EExtended strand (participates in β ladder)trans-91.4104.9169.9-67.9166.8000107.3V605 H701L596-V605 HydrophobicContact CD2-CB 4.48Å; L596-V605 HydrophobicContact CD2-CG1 4.48Å; L596-V605 HydrophobicContact CD2-CG2 3.68Å; L596-H701 HydrophobicContact CB-CB 4.17Å; L596-H701 HydrophobicContact CD1-CB 4.35Å; L596-H701 PolarHBondContact N-O 2.57Å; L596-H701 PolarHBondContact O-N 3.23Å
597Y78.2Confident81.2Confident18 Ų1841.1 Ų41.17%0.07125%0.245CC..  trans-91.3123175.4-158.4-84.7000109N599 Y606 Q653 S654 L655 P698 I700Y597-N599 VanDerWaalsContact CD1-OD1 3.25Å; Y597-N599 WeakPolarHBondContact CD1-OD1 3.43Å; Y597-N599 VanDerWaalsContact CE1-OD1 3.23Å; Y597-N599 WeakPolarHBondContact CE1-OD1 3.4Å; Y597-N599 PolarHBondContact O-N 2.96Å; Y597-Y606 HydrophobicContact CG-CE2 4.46Å; Y597-Q653 HydrophobicContact CD2-CB 4.04Å; Y597-Q653 HydrophobicContact CE2-CB 4.24Å; Y597-Q653 HydrophobicContact CG-CB 4.21Å; Y597-S654 PolarHBondContact OH-OG 2.79Å; Y597-L655 HydrophobicContact CE2-CG 4.38Å; Y597-P698 HydrophobicContact CE1-CG 3.76Å; Y597-P698 HydrophobicContact CE2-CG 3.96Å; Y597-P698 WeakPolarHBondContact OH-CD 3.47Å; Y597-P698 VanDerWaalsContact OH-CG 3.29Å; Y597-P698 WeakPolarHBondContact OH-CG 3.3Å; Y597-I700 HydrophobicContact CD2-CG2 3.61Å; Y597-I700 HydrophobicContact CE2-CG2 4.28Å; Y597-I700 HydrophobicContact CG-CG2 4.26Å
598P70.2Confident81.6Confident71 Ų7140.7 Ų40.746%0.46124%0.242SC..  trans-7589.7175.931.2-34.2000109.6P698 E699P598-P698 HydrophobicContact CG-CB 3.93Å; P598-P698 HydrophobicContact CG-CG 4.44Å; P598-E699 WeakPolarHBondContact CD-O 3.48Å; P598-E699 VanDerWaalsContact CG-O 3.25Å; P598-E699 WeakPolarHBondContact CG-O 3.41Å
599N62.8Low81.9Confident64 Ų6438.4 Ų38.434%0.34223%0.226SC..  trans-93.6146.9163.1-84.9-12.1000109.9Y597 D601 T652Y597-N599 VanDerWaalsContact CD1-OD1 3.25Å; Y597-N599 WeakPolarHBondContact CD1-OD1 3.43Å; Y597-N599 VanDerWaalsContact CE1-OD1 3.23Å; Y597-N599 WeakPolarHBondContact CE1-OD1 3.4Å; Y597-N599 PolarHBondContact O-N 2.96Å; N599-D601 PolarHBondContact O-N 3.44Å; N599-T652 PolarHBondContact ND2-O 2.73Å
600S52.7Low82.1Confident114 Ų11437.6 Ų37.680%0.79722%0.223SC*.SBendtrans-53.1-28.9-173.550.10000114.9
601D57.1Low82.3Confident137 Ų13734.6 Ų34.673%0.73321%0.207SC*.SBendtrans-126.4-8.8-168.4-62.1-63.3000115.6N599N599-D601 PolarHBondContact O-N 3.44Å
602N60.3Low82.4Confident106 Ų10633.5 Ų33.557%0.56720%0.198SC*.  trans-157.4117.7176-81.3-53.9000109.8N604N602-N604 PolarHBondContact O-N 2.88Å
603S71.5Confident82.4Confident94 Ų9435.5 Ų35.566%0.65721%0.206SC*.  trans-71.674.9168.657.90000109.7
604N84Confident82.4Confident17 Ų1735.4 Ų35.49%0.09121%0.206CC..  trans-66.3136.9174-67.7-34.4000109K520 N602 Y606 F648K520-N604 PolarHBondContact NZ-OD1 2.94Å; N602-N604 PolarHBondContact O-N 2.88Å; N604-Y606 HydrophobicContact CB-CE1 4.39Å; N604-Y606 HydrophobicContact CB-CE2 3.71Å; N604-Y606 PolarHBondContact ND2-OH 3Å; N604-Y606 WeakPolarHBondContact O-CE2 3.28Å; N604-F648 HydrophobicContact CB-CZ 4.5Å
605V88.2Confident82.2Confident6 Ų638.2 Ų38.24%0.03623%0.229CC..EExtended strand (participates in β ladder)trans-95.8130170.2-168.80000108.8L549 Q550 C594 L596L549-V605 HydrophobicContact CB-CB 4.38Å; L549-V605 HydrophobicContact CD2-CB 4.04Å; L549-V605 HydrophobicContact CD2-CG1 3.83Å; L549-V605 HydrophobicContact CG-CB 3.95Å; L549-V605 HydrophobicContact CG-CG1 4.12Å; L549-V605 WeakPolarHBondContact O-CB 3.44Å; L549-V605 PolarHBondContact O-N 3.13Å; Q550-V605 VanDerWaalsContact C-CG2 3.41Å; Q550-V605 WeakPolarHBondContact O-CG2 3.18Å; C594-V605 HydrophobicContact CB-CG1 3.76Å; L596-V605 HydrophobicContact CD2-CB 4.48Å; L596-V605 HydrophobicContact CD2-CG1 4.48Å; L596-V605 HydrophobicContact CD2-CG2 3.68Å
606Y91.5Very high81.9Confident2 Ų238.7 Ų38.71%0.00823%0.232CC..EExtended strand (participates in β ladder)trans-111138.7176.8-55.2-89.5000110.1C594 I595 Y597 N604 F648 Y649 T652 Q653C594-Y606 CarbonylContact C-O 3.57Å; C594-Y606 VanDerWaalsContact CA-O 3.25Å; C594-Y606 WeakPolarHBondContact CA-O 3.3Å; I595-Y606 PolarHBondContact N-O 3.44Å; I595-Y606 WeakPolarHBondContact O-CD2 3.24Å; I595-Y606 PolarHBondContact O-N 3.38Å; Y597-Y606 HydrophobicContact CG-CE2 4.46Å; N604-Y606 HydrophobicContact CB-CE1 4.39Å; N604-Y606 HydrophobicContact CB-CE2 3.71Å; N604-Y606 PolarHBondContact ND2-OH 3Å; N604-Y606 WeakPolarHBondContact O-CE2 3.28Å; Y606-F648 HydrophobicContact CD1-CE1 4.27Å; Y606-F648 HydrophobicContact CE1-CD1 4.26Å; Y606-F648 AromaticContact CE1-CE1 3.71Å; Y606-F648 HydrophobicContact CE1-CE1 3.71Å; Y606-F648 HydrophobicContact CE1-CZ 4.39Å; Y606-Y649 AromaticContact CD1-CD1 3.74Å; Y606-Y649 HydrophobicContact CD1-CD1 3.74Å; Y606-Y649 HydrophobicContact CD1-CD2 4.45Å; Y606-Y649 AromaticContact CD1-CE1 3.68Å; Y606-Y649 HydrophobicContact CD1-CE1 3.68Å; Y606-Y649 HydrophobicContact CD1-CE2 4.42Å; Y606-Y649 HydrophobicContact CD1-CG 4.14Å; Y606-Y649 HydrophobicContact CE1-CD1 4.26Å; Y606-T652 VanDerWaalsContact CE1-OG1 3.23Å; Y606-T652 WeakPolarHBondContact CE1-OG1 3.36Å; Y606-T652 VanDerWaalsContact OH-CB 3.26Å; Y606-T652 WeakPolarHBondContact OH-CB 3.38Å; Y606-T652 PolarHBondContact OH-O 2.87Å; Y606-T652 PolarHBondContact OH-OG1 3.31Å; Y606-Q653 HydrophobicContact CD1-CG 4.04Å; Y606-Q653 HydrophobicContact CE1-CB 4.21Å; Y606-Q653 HydrophobicContact CE1-CG 3.73Å; Y606-Q653 HydrophobicContact CE2-CB 4.18Å; Y606-Q653 HydrophobicContact CE2-CG 4.36Å; Y606-Q653 HydrophobicContact CG-CG 4.48Å
607L92.8Very high81.7Confident0 Ų042.9 Ų42.90%025%0.25CS..EExtended strand (participates in β ladder)trans-88.2135.5170.4177.481.6000110.8F540 L549 Y649 L705F540-L607 HydrophobicContact CD1-CD2 4.36Å; F540-L607 HydrophobicContact CE1-CD2 3.37Å; F540-L607 HydrophobicContact CE1-CG 4.5Å; F540-L607 HydrophobicContact CZ-CD1 4.48Å; F540-L607 HydrophobicContact CZ-CD2 3.94Å; L549-L607 HydrophobicContact CD2-CB 4.47Å; L607-Y649 WeakPolarHBondContact CA-OH 3.32Å; L607-Y649 PolarHBondContact N-OH 3.37Å; L607-Y649 VanDerWaalsContact O-CE2 3.31Å; L607-Y649 WeakPolarHBondContact O-CE2 3.43Å; L607-Y649 PolarHBondContact O-OH 2.98Å; L607-L705 HydrophobicContact CD1-CD1 4.31Å; L607-L705 HydrophobicContact CD1-CD2 3.83Å
608A93.9Very high81.9Confident0 Ų047.2 Ų47.20%027%0.271CS..EExtended strand (participates in β ladder)trans-117.4123.3159.800000109.5F592 Q593 I595 I610 L611 I627F592-A608 CarbonylContact C-O 3.08Å; F592-A608 WeakPolarHBondContact CA-O 3.49Å; Q593-A608 HydrophobicContact CB-CB 4.44Å; Q593-A608 PolarHBondContact N-O 3.4Å; Q593-A608 PolarHBondContact O-N 3.27Å; I595-A608 HydrophobicContact CD1-CB 4.14Å; A608-I610 VanDerWaalsContact C-N 3.28Å; A608-L611 HydrophobicContact CB-CB 4.02Å; A608-L611 HydrophobicContact CB-CD1 4.47Å; A608-I627 HydrophobicContact CB-CG2 3.89Å
609D94.7Very high82.3Confident0 Ų046.6 Ų46.60%026%0.262CS..EExtended strand (participates in β ladder)trans-65.3-40.5171.6-70.1-49000109.7K566 V570 A591 F592 C628 I629 V630K566-D609 WeakPolarHBondContact CE-OD1 3.46Å; K566-D609 WeakPolarHBondContact CE-OD2 3.27Å; K566-D609 IonicContact NZ-OD1 2.81Å; K566-D609 PolarHBondContact NZ-OD1 3.44Å; K566-D609 IonicContact NZ-OD2 2.9Å; K566-D609 PolarHBondContact NZ-OD2 3.14Å; V570-D609 HydrophobicContact CG1-CB 4.47Å; V570-D609 WeakPolarHBondContact CG1-O 3.42Å; V570-D609 HydrophobicContact CG2-CB 4.26Å; A591-D609 CarbonylContact C-O 3.55Å; A591-D609 WeakPolarHBondContact CA-O 3.46Å; F592-D609 PolarHBondContact N-O 3.16Å; D609-C628 WeakPolarHBondContact CB-O 3.43Å; D609-C628 PolarHBondContact N-O 3.49Å; D609-I629 WeakPolarHBondContact OD2-CA 3.31Å; D609-V630 HydrophobicContact CB-CB 4.18Å; D609-V630 HydrophobicContact CB-CG2 3.99Å; D609-V630 PolarHBondContact OD2-N 3.02Å
610I95Very high83.1Confident0 Ų053.3 Ų53.30%029%0.291CS..EExtended strand (participates in β ladder)trans-135.4129.3166.9-58.8172.5000107.5V570 I573 H574 F577 M589 A608 F612 C628 V630V570-I610 HydrophobicContact CG1-CD1 3.95Å; V570-I610 HydrophobicContact CG1-CG1 3.59Å; I573-I610 HydrophobicContact CG2-CD1 4.17Å; H574-I610 HydrophobicContact CB-CD1 4.22Å; F577-I610 HydrophobicContact CD2-CD1 3.8Å; F577-I610 HydrophobicContact CE2-CD1 3.58Å; M589-I610 HydrophobicContact CB-CG2 4.42Å; A608-I610 VanDerWaalsContact C-N 3.28Å; I610-F612 HydrophobicContact CB-CE2 4.22Å; I610-F612 HydrophobicContact CG2-CD2 4.05Å; I610-F612 HydrophobicContact CG2-CE1 4.49Å; I610-F612 HydrophobicContact CG2-CE2 3.66Å; I610-F612 HydrophobicContact CG2-CZ 3.91Å; I610-C628 HydrophobicContact CB-CB 4.13Å; I610-C628 PolarHBondContact N-O 3.15Å; I610-C628 VanDerWaalsContact N-O 3.15Å; I610-C628 WeakPolarHBondContact O-CA 3.17Å; I610-C628 WeakPolarHBondContact O-CB 3.21Å; I610-C628 PolarHBondContact O-N 3.48Å; I610-V630 HydrophobicContact CD1-CG2 4.26Å
611L94.7Very high84.4Confident1 Ų151.1 Ų51.11%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-104.4115.4172.5-177.160.1000108.7M589 N590 Q593 I595 A608 Y625 I627 T702M589-L611 WeakPolarHBondContact CA-O 3.44Å; N590-L611 PolarHBondContact N-O 3.46Å; N590-L611 PolarHBondContact O-N 3.45Å; Q593-L611 HydrophobicContact CB-CB 4.14Å; Q593-L611 HydrophobicContact CB-CD2 4.18Å; Q593-L611 HydrophobicContact CG-CB 4Å; Q593-L611 HydrophobicContact CG-CD2 4.24Å; I595-L611 HydrophobicContact CD1-CD1 3.72Å; I595-L611 HydrophobicContact CD1-CD2 4.22Å; I595-L611 HydrophobicContact CG1-CD2 4.18Å; A608-L611 HydrophobicContact CB-CB 4.02Å; A608-L611 HydrophobicContact CB-CD1 4.47Å; L611-Y625 HydrophobicContact CD1-CD1 3.95Å; L611-Y625 HydrophobicContact CD1-CG 4.48Å; L611-Y625 HydrophobicContact CD2-CD1 3.85Å; L611-Y625 HydrophobicContact CD2-CE1 4.17Å; L611-Y625 HydrophobicContact CG-CD1 3.95Å; L611-I627 HydrophobicContact CD1-CG1 4.32Å; L611-T702 HydrophobicContact CD2-CG2 3.52Å
612F93.6Very high85.7Confident0 Ų048.4 Ų48.40%027%0.268CS..EExtended strand (participates in β ladder)trans-88141.6171.9-66-93.6000109.5F577 M589 I610 Y625 V626 C628 F681 L682 V685 L689F577-F612 HydrophobicContact CD2-CE1 4.26Å; F577-F612 AromaticContact CD2-CZ 3.67Å; F577-F612 HydrophobicContact CD2-CZ 3.67Å; F577-F612 HydrophobicContact CE2-CE2 4.43Å; F577-F612 AromaticContact CE2-CZ 3.71Å; F577-F612 HydrophobicContact CE2-CZ 3.71Å; M589-F612 HydrophobicContact CG-CD1 3.42Å; M589-F612 VanDerWaalsContact CG-CD1 3.42Å; M589-F612 HydrophobicContact CG-CE1 3.53Å; M589-F612 HydrophobicContact CG-CG 4.3Å; M589-F612 HydrophobicContact CG-CZ 4.47Å; M589-F612 HydrophobicContact SD-CD1 3.92Å; M589-F612 HydrophobicContact SD-CE1 3.38Å; M589-F612 WeakPolarHBondContact SD-CE1 3.45Å; M589-F612 HydrophobicContact SD-CZ 4.21Å; I610-F612 HydrophobicContact CB-CE2 4.22Å; I610-F612 HydrophobicContact CG2-CD2 4.05Å; I610-F612 HydrophobicContact CG2-CE1 4.49Å; I610-F612 HydrophobicContact CG2-CE2 3.66Å; I610-F612 HydrophobicContact CG2-CZ 3.91Å; F612-Y625 VanDerWaalsContact O-CA 3.26Å; F612-Y625 WeakPolarHBondContact O-CA 3.07Å; F612-V626 HydrophobicContact CB-CB 4.24Å; F612-V626 PolarHBondContact N-O 3.03Å; F612-V626 PolarHBondContact O-N 3.06Å; F612-C628 HydrophobicContact CD2-CB 4.04Å; F612-C628 HydrophobicContact CE2-CB 3.59Å; F612-F681 HydrophobicContact CE2-CE1 4.05Å; F612-F681 HydrophobicContact CZ-CE1 4.03Å; F612-L682 HydrophobicContact CE1-CD2 3.65Å; F612-L682 HydrophobicContact CZ-CD2 4.24Å; F612-V685 HydrophobicContact CB-CG1 3.71Å; F612-V685 HydrophobicContact CD1-CG1 3.66Å; F612-V685 HydrophobicContact CD2-CG1 4.1Å; F612-V685 HydrophobicContact CD2-CG2 4.18Å; F612-V685 HydrophobicContact CE1-CG1 4.25Å; F612-V685 HydrophobicContact CE1-CG2 4.44Å; F612-V685 HydrophobicContact CE2-CG2 4.09Å; F612-V685 HydrophobicContact CG-CG1 3.56Å; F612-V685 HydrophobicContact CG-CG2 4.4Å; F612-V685 HydrophobicContact CZ-CG2 4.22Å; F612-L689 HydrophobicContact CB-CD1 4.41Å
613K91Very high86.9Confident42 Ų4248.1 Ų48.118%0.18326%0.26CS..EExtended strand (participates in β ladder)trans-144.6129.8-173.9173.7-172-179.9-178.30110.6S588 Y623 N624 Y625S588-K613 PolarHBondContact N-O 3.49Å; S588-K613 PolarHBondContact O-N 3.25Å; S588-K613 VanDerWaalsContact OG-CB 3.24Å; S588-K613 WeakPolarHBondContact OG-CB 3.5Å; S588-K613 WeakPolarHBondContact OG-CG 3.22Å; S588-K613 PolarHBondContact OG-O 3.16Å; K613-Y623 HydrophobicContact CD-CD1 4.05Å; K613-Y623 HydrophobicContact CD-CE1 4.49Å; K613-Y623 HydrophobicContact CD-CG 4.13Å; K613-Y623 HydrophobicContact CG-CD1 3.81Å; K613-Y623 HydrophobicContact CG-CG 4.01Å; K613-N624 VanDerWaalsContact CA-O 3.29Å; K613-N624 WeakPolarHBondContact CA-O 3.37Å; K613-Y625 HydrophobicContact CB-CD1 4.02Å; K613-Y625 HydrophobicContact CB-CE1 4.09Å; K613-Y625 HydrophobicContact CD-CE1 3.76Å; K613-Y625 HydrophobicContact CG-CD1 4.12Å; K613-Y625 HydrophobicContact CG-CE1 3.78Å
614Q89.9Confident87.8Confident9 Ų943.8 Ų43.84%0.04223%0.229CC..EExtended strand (participates in β ladder)trans-131.6146175.4-173.4177.3-0.700109.8E586 L587 C616 Y623 N624 L689E586-Q614 HydrophobicContact CB-CG 4.3Å; E586-Q614 PolarHBondContact OE2-NE2 3.13Å; L587-Q614 HydrophobicContact CD2-CB 4.12Å; L587-Q614 HydrophobicContact CD2-CG 4.46Å; Q614-C616 PolarHBondContact O-N 3.09Å; Q614-Y623 CarbonylContact O-C 3.59Å; Q614-Y623 VanDerWaalsContact O-CA 3.23Å; Q614-Y623 WeakPolarHBondContact O-CA 3.36Å; Q614-Y623 WeakPolarHBondContact O-CB 3.19Å; Q614-N624 PolarHBondContact N-O 2.92Å; Q614-N624 VanDerWaalsContact N-O 3.09Å; Q614-N624 PolarHBondContact O-N 2.91Å; Q614-L689 HydrophobicContact CB-CD1 4.05Å; Q614-L689 HydrophobicContact CB-CD2 4.38Å
615A86.9Confident88.1Confident58 Ų5844 Ų4448%0.47923%0.229SC..EExtended strand (participates in β ladder)trans-63.3135.7175.800000110.1E617 Y623A615-E617 PolarHBondContact O-N 2.87Å; A615-Y623 HydrophobicContact CB-CD1 4.26Å; A615-Y623 HydrophobicContact CB-CE1 4.27Å
616C84.1Confident88.4Confident11 Ų1143.7 Ų43.77%0.07423%0.227CC..  trans-75.9123.5176.4-1780000109.4Q614 Q618 H619 K622 N693Q614-C616 PolarHBondContact O-N 3.09Å; C616-Q618 VanDerWaalsContact C-N 3.29Å; C616-Q618 PolarHBondContact O-N 3Å; C616-H619 HydrophobicContact CB-CB 4.38Å; C616-K622 HydrophobicContact CB-CB 4.17Å; C616-K622 PolarHBondContact N-O 3.33Å; C616-N693 PolarHBondContact SG-OD1 3.21Å
617E83.1Confident88.6Confident151 Ų15143.6 Ų43.671%0.70623%0.227SC*.SBendtrans-69.6-28.4178.7-64.4-175.7167.400112.4A615 N693A615-E617 PolarHBondContact O-N 2.87Å; E617-N693 PolarHBondContact N-OD1 3.41Å
618Q81.1Confident88.7Confident108 Ų10843.6 Ų43.651%0.50523%0.227SC..SBendtrans-87.1-20.4-176.6-61.5-170.611.600113.5C616 N693 N694C616-Q618 VanDerWaalsContact C-N 3.29Å; C616-Q618 PolarHBondContact O-N 3Å; Q618-N693 HydrophobicContact CG-CB 4.49Å; Q618-N693 PolarHBondContact NE2-O 2.91Å; Q618-N693 PolarHBondContact OE1-O 3.33Å; Q618-N694 PolarHBondContact NE2-OD1 3.13Å
619H79.3Confident88.8Confident59 Ų5943.6 Ų43.627%0.27323%0.227SC..SBendtrans-135.9101.7-173.2-63.3-46.7000111.2C616 G621 K622C616-H619 HydrophobicContact CB-CB 4.38Å; H619-G621 PolarHBondContact O-N 2.74Å; H619-K622 HydrophobicContact CB-CB 3.9Å; H619-K622 HydrophobicContact CB-CD 3.72Å; H619-K622 HydrophobicContact CB-CG 3.9Å; H619-K622 WeakPolarHBondContact O-CB 3.18Å; H619-K622 PolarHBondContact O-N 3.2Å
620E79.4Confident88.8Confident204 Ų20443.8 Ų43.895%0.95323%0.228SC*.THydrogen-bonded Turntrans-55.7130.9179.9-166.6175.6-176.700111.6K622E620-K622 PolarHBondContact O-N 2.99Å
621G80.5Confident88.6Confident68 Ų6844 Ų4470%0.70123%0.229SC*.THydrogen-bonded Turntrans79.5-7.7-178.300000115.6H619H619-G621 PolarHBondContact O-N 2.74Å
622K83.7Confident88.3Confident81 Ų8145 Ų4535%0.35223%0.233SC..  trans-92.3162173.6-62-164.9-175.6178.70111.7C616 H619 E620 H696C616-K622 HydrophobicContact CB-CB 4.17Å; C616-K622 PolarHBondContact N-O 3.33Å; H619-K622 HydrophobicContact CB-CB 3.9Å; H619-K622 HydrophobicContact CB-CD 3.72Å; H619-K622 HydrophobicContact CB-CG 3.9Å; H619-K622 WeakPolarHBondContact O-CB 3.18Å; H619-K622 PolarHBondContact O-N 3.2Å; E620-K622 PolarHBondContact O-N 2.99Å; K622-H696 PolarHBondContact NZ-NE2 2.85Å
623Y86.5Confident88Confident99 Ų9945.3 Ų45.339%0.38824%0.235SC..EExtended strand (participates in β ladder)trans-134.7147.1179.7-61.9-91.7000111.1K613 Q614 A615 Y625K613-Y623 HydrophobicContact CD-CD1 4.05Å; K613-Y623 HydrophobicContact CD-CE1 4.49Å; K613-Y623 HydrophobicContact CD-CG 4.13Å; K613-Y623 HydrophobicContact CG-CD1 3.81Å; K613-Y623 HydrophobicContact CG-CG 4.01Å; Q614-Y623 CarbonylContact O-C 3.59Å; Q614-Y623 VanDerWaalsContact O-CA 3.23Å; Q614-Y623 WeakPolarHBondContact O-CA 3.36Å; Q614-Y623 WeakPolarHBondContact O-CB 3.19Å; A615-Y623 HydrophobicContact CB-CD1 4.26Å; A615-Y623 HydrophobicContact CB-CE1 4.27Å; Y623-Y625 WeakPolarHBondContact O-CD2 3.39Å; Y623-Y625 WeakPolarHBondContact O-CE2 3.41Å
624N89Confident87.8Confident4 Ų445 Ų452%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-92.2148.4169.3-59.1-13.6000108.7K613 Q614 L689 M692 N693K613-N624 VanDerWaalsContact CA-O 3.29Å; K613-N624 WeakPolarHBondContact CA-O 3.37Å; Q614-N624 PolarHBondContact N-O 2.92Å; Q614-N624 VanDerWaalsContact N-O 3.09Å; Q614-N624 PolarHBondContact O-N 2.91Å; N624-L689 VanDerWaalsContact C-CD2 3.44Å; N624-L689 HydrophobicContact CB-CD2 3.69Å; N624-L689 PolarHBondContact ND2-O 3.27Å; N624-L689 WeakPolarHBondContact O-CD2 3.44Å; N624-M692 HydrophobicContact CB-CB 4.06Å; N624-M692 HydrophobicContact CB-SD 4.3Å; N624-N693 VanDerWaalsContact ND2-CG 3.34Å; N624-N693 PolarHBondContact ND2-N 3.16Å; N624-N693 PolarHBondContact ND2-OD1 3.12Å
625Y91.3Very high87.8Confident20 Ų2044.7 Ų44.78%0.07823%0.232CC..EExtended strand (participates in β ladder)trans-136.5134.9-172.5-63.4-95.7000111.5L611 F612 K613 Y623 M692 I700 T702L611-Y625 HydrophobicContact CD1-CD1 3.95Å; L611-Y625 HydrophobicContact CD1-CG 4.48Å; L611-Y625 HydrophobicContact CD2-CD1 3.85Å; L611-Y625 HydrophobicContact CD2-CE1 4.17Å; L611-Y625 HydrophobicContact CG-CD1 3.95Å; F612-Y625 VanDerWaalsContact O-CA 3.26Å; F612-Y625 WeakPolarHBondContact O-CA 3.07Å; K613-Y625 HydrophobicContact CB-CD1 4.02Å; K613-Y625 HydrophobicContact CB-CE1 4.09Å; K613-Y625 HydrophobicContact CD-CE1 3.76Å; K613-Y625 HydrophobicContact CG-CD1 4.12Å; K613-Y625 HydrophobicContact CG-CE1 3.78Å; Y623-Y625 WeakPolarHBondContact O-CD2 3.39Å; Y623-Y625 WeakPolarHBondContact O-CE2 3.41Å; Y625-M692 WeakPolarHBondContact O-CE 3.39Å; Y625-I700 HydrophobicContact CD2-CD1 3.21Å; Y625-I700 HydrophobicContact CD2-CG1 4.09Å; Y625-I700 HydrophobicContact CE2-CD1 3.51Å; Y625-I700 HydrophobicContact CE2-CG1 3.88Å; Y625-I700 HydrophobicContact CG-CD1 3.8Å; Y625-T702 HydrophobicContact CE1-CG2 4.2Å
626V93.8Very high87.9Confident0 Ų046.8 Ų46.80%023%0.232CC..EExtended strand (participates in β ladder)trans-121.1126.1170.7171.90000108.9F612 P656 L658 V685 E688 L689 M692F612-V626 HydrophobicContact CB-CB 4.24Å; F612-V626 PolarHBondContact N-O 3.03Å; F612-V626 PolarHBondContact O-N 3.06Å; V626-P656 HydrophobicContact CG1-CB 4.47Å; V626-P656 HydrophobicContact CG2-CB 4.12Å; V626-P656 HydrophobicContact CG2-CG 4.21Å; V626-L658 HydrophobicContact CG1-CB 4.47Å; V626-L658 HydrophobicContact CG1-CD1 3.9Å; V626-L658 HydrophobicContact CG1-CG 3.94Å; V626-V685 HydrophobicContact CB-CG1 4.47Å; V626-E688 HydrophobicContact CG2-CB 3.87Å; V626-L689 HydrophobicContact CB-CD2 4.41Å; V626-L689 HydrophobicContact CB-CG 4.47Å; V626-L689 HydrophobicContact CG2-CD2 3.73Å; V626-L689 HydrophobicContact CG2-CG 3.65Å; V626-M692 HydrophobicContact CG2-SD 4.45Å
627I95.2Very high88.2Confident0 Ų047 Ų470%023%0.233CC..EExtended strand (participates in β ladder)trans-83.3127.8175.8-62.3177.4000108.2I595 A608 L611 I629 Y649 L655 P656 V657 L658I595-I627 HydrophobicContact CD1-CD1 3.66Å; I595-I627 HydrophobicContact CD1-CG1 3.63Å; A608-I627 HydrophobicContact CB-CG2 3.89Å; L611-I627 HydrophobicContact CD1-CG1 4.32Å; I627-I629 HydrophobicContact CG2-CD1 4Å; I627-I629 HydrophobicContact CG2-CG1 4.39Å; I627-Y649 HydrophobicContact CD1-CD2 4.11Å; I627-Y649 HydrophobicContact CD1-CE2 4.21Å; I627-Y649 HydrophobicContact CG2-CD2 4.39Å; I627-Y649 HydrophobicContact CG2-CE2 4.08Å; I627-L655 HydrophobicContact CD1-CB 4.36Å; I627-L655 HydrophobicContact CD1-CD1 4.14Å; I627-L655 HydrophobicContact CG1-CB 4.47Å; I627-L655 HydrophobicContact CG1-CD1 4.34Å; I627-P656 PolarHBondContact N-O 2.85Å; I627-V657 HydrophobicContact CB-CG1 4.39Å; I627-V657 HydrophobicContact CB-CG2 4.26Å; I627-V657 HydrophobicContact CD1-CG2 4.39Å; I627-V657 HydrophobicContact CG2-CG1 4.16Å; I627-V657 CarbonylContact O-C 3.55Å; I627-V657 WeakPolarHBondContact O-CA 3.42Å; I627-L658 PolarHBondContact O-N 3.43Å
628C96.4Very high88.5Confident0 Ų039.9 Ų39.90%020%0.199CC..EExtended strand (participates in β ladder)trans-111.7127.1169.8173.40000110.9D609 I610 F612 L658 F681D609-C628 WeakPolarHBondContact CB-O 3.43Å; D609-C628 PolarHBondContact N-O 3.49Å; I610-C628 HydrophobicContact CB-CB 4.13Å; I610-C628 PolarHBondContact N-O 3.15Å; I610-C628 VanDerWaalsContact N-O 3.15Å; I610-C628 WeakPolarHBondContact O-CA 3.17Å; I610-C628 WeakPolarHBondContact O-CB 3.21Å; I610-C628 PolarHBondContact O-N 3.48Å; F612-C628 HydrophobicContact CD2-CB 4.04Å; F612-C628 HydrophobicContact CE2-CB 3.59Å; C628-L658 VanDerWaalsContact CA-O 3.32Å; C628-L658 WeakPolarHBondContact CA-O 3.44Å; C628-F681 HydrophobicContact CB-CZ 4.37Å
629I96Very high89.1Confident0 Ų039.6 Ų39.60%020%0.196CC..EExtended strand (participates in β ladder)trans-103.8116.3171.6-56.1-57.2000108.9D609 I627 L642 L645 L646 Y649 V657 L658 T659 F660D609-I629 WeakPolarHBondContact OD2-CA 3.31Å; I627-I629 HydrophobicContact CG2-CD1 4Å; I627-I629 HydrophobicContact CG2-CG1 4.39Å; I629-L642 HydrophobicContact CG2-CD1 4.05Å; I629-L645 HydrophobicContact CD1-CD2 4.19Å; I629-L645 HydrophobicContact CG1-CD2 4.25Å; I629-L645 HydrophobicContact CG2-CD2 4.11Å; I629-L646 HydrophobicContact CG1-CD2 4.45Å; I629-Y649 HydrophobicContact CD1-CE2 4.31Å; I629-V657 HydrophobicContact CG1-CG1 4.08Å; I629-L658 PolarHBondContact N-O 3.48Å; I629-T659 HydrophobicContact CB-CG2 4.43Å; I629-T659 CarbonylContact O-C 3.58Å; I629-T659 WeakPolarHBondContact O-CA 2.99Å; I629-F660 PolarHBondContact O-N 2.77Å
630V94.2Very high89.8Confident4 Ų436.8 Ų36.82%0.02418%0.183CC..EExtended strand (participates in β ladder)trans-91.8119.1177.2-177.50000108.8Y541 K566 V570 D609 I610 F660 I662Y541-V630 PolarHBondContact OH-O 3.16Å; K566-V630 WeakPolarHBondContact CE-O 3.43Å; K566-V630 PolarHBondContact NZ-O 3.29Å; K566-V630 VanDerWaalsContact NZ-O 3.14Å; V570-V630 HydrophobicContact CG2-CB 3.95Å; V570-V630 HydrophobicContact CG2-CG1 4.19Å; V570-V630 HydrophobicContact CG2-CG2 4.12Å; D609-V630 HydrophobicContact CB-CB 4.18Å; D609-V630 HydrophobicContact CB-CG2 3.99Å; D609-V630 PolarHBondContact OD2-N 3.02Å; I610-V630 HydrophobicContact CD1-CG2 4.26Å; V630-F660 WeakPolarHBondContact CA-O 3.37Å; V630-I662 HydrophobicContact CG1-CB 3.97Å; V630-I662 HydrophobicContact CG1-CD1 4.28Å
631H91.5Very high90.6Very high6 Ų627 Ų273%0.02814%0.138CC..EExtended strand (participates in β ladder)trans-134.2173.1-175.872.789.2000112.1D635 E636 L642 F660 N661 I662H631-D635 HydrophobicContact CB-CB 4.16Å; H631-E636 IonicContact CE1-OE1 3.34Å; H631-E636 PolarHBondContact CE1-OE1 2.93Å; H631-E636 VanDerWaalsContact CE1-OE1 3.28Å; H631-L642 HydrophobicContact CB-CD2 4.3Å; H631-F660 PolarHBondContact N-O 3.25Å; H631-N661 WeakPolarHBondContact O-CA 3.34Å; H631-I662 WeakPolarHBondContact O-CG2 3.33Å; H631-I662 PolarHBondContact O-N 3.06Å
632E87.7Confident91.4Very high20 Ų2024.3 Ų24.39%0.09311%0.107CC..  trans-107.7161.9-179.4-66176.6167.900111.4T419 R634 D635 I662T419-E632 VanDerWaalsContact CG2-OE1 3.28Å; T419-E632 WeakPolarHBondContact CG2-OE1 3.45Å; E632-R634 HydrophobicContact CB-CG 4.09Å; E632-R634 PolarHBondContact O-N 3.38Å; E632-R634 IonicContact OE1-NH2 3.28Å; E632-R634 IonicContact OE2-CZ 2.78Å; E632-R634 IonicContact OE2-NE 2.68Å; E632-R634 PolarHBondContact OE2-NE 3.06Å; E632-R634 IonicContact OE2-NH2 2.88Å; E632-R634 PolarHBondContact OE2-NH2 3.39Å; E632-D635 PolarHBondContact N-OD2 3.49Å; E632-D635 WeakPolarHBondContact O-CB 3.49Å; E632-D635 PolarHBondContact O-N 3.41Å; E632-I662 HydrophobicContact CG-CG2 3.92Å
633N87.2Confident92Very high8 Ų823.2 Ų23.24%0.04311%0.105CC..Hα-helixtrans-51.7-34.4177-75.715.9000112.4D425 D635 E636 V637 N661 C663 T664D425-N633 PolarHBondContact OD1-ND2 2.98Å; N633-D635 PolarHBondContact O-N 3.45Å; N633-E636 WeakPolarHBondContact O-CB 3.29Å; N633-E636 PolarHBondContact O-N 3.29Å; N633-E636 VanDerWaalsContact O-N 3.17Å; N633-V637 PolarHBondContact O-N 2.9Å; N633-N661 PolarHBondContact OD1-ND2 2.87Å; N633-N661 PolarHBondContact OD1-OD1 3.46Å; N633-C663 HydrophobicContact CB-CB 4.2Å; N633-C663 WeakPolarHBondContact OD1-CB 3.24Å; N633-T664 PolarHBondContact OD1-OG1 2.88Å
634R86.6Confident92.5Very high35 Ų3518.6 Ų18.613%0.1329%0.087CC..Hα-helixtrans-63.5-29.1179.870.1174.5164.8-179.5-12.6113.2Y424 Y537 E632 E636 V637 A638Y424-R634 HydrophobicContact CD1-CB 4.14Å; Y424-R634 HydrophobicContact CD2-CB 3.6Å; Y424-R634 HydrophobicContact CE1-CB 3.96Å; Y424-R634 HydrophobicContact CE2-CB 3.42Å; Y424-R634 VanDerWaalsContact CE2-CB 3.42Å; Y424-R634 HydrophobicContact CE2-CG 4.46Å; Y424-R634 HydrophobicContact CG-CB 3.97Å; Y537-R634 VanDerWaalsContact CD2-NH2 3.32Å; E632-R634 HydrophobicContact CB-CG 4.09Å; E632-R634 PolarHBondContact O-N 3.38Å; E632-R634 IonicContact OE1-NH2 3.28Å; E632-R634 IonicContact OE2-CZ 2.78Å; E632-R634 IonicContact OE2-NE 2.68Å; E632-R634 PolarHBondContact OE2-NE 3.06Å; E632-R634 IonicContact OE2-NH2 2.88Å; E632-R634 PolarHBondContact OE2-NH2 3.39Å; R634-E636 VanDerWaalsContact C-N 3.25Å; R634-V637 PolarHBondContact O-N 3.13Å; R634-A638 PolarHBondContact O-N 3.17Å
635D90.3Very high92.8Very high2 Ų218.4 Ų18.41%0.0119%0.086CC..Hα-helixtrans-76.4-19.5-179.1-56.2-40.9000110.9W538 H631 E632 N633 K639 L642W538-D635 PolarHBondContact NE1-OD1 2.86Å; H631-D635 HydrophobicContact CB-CB 4.16Å; E632-D635 PolarHBondContact N-OD2 3.49Å; E632-D635 WeakPolarHBondContact O-CB 3.49Å; E632-D635 PolarHBondContact O-N 3.41Å; N633-D635 PolarHBondContact O-N 3.45Å; D635-K639 WeakPolarHBondContact O-CA 3.27Å; D635-L642 HydrophobicContact CB-CB 4.44Å; D635-L642 HydrophobicContact CB-CD2 4.2Å
636E89.4Confident93.1Very high103 Ų10319.2 Ų19.248%0.4819%0.091SC..Hα-helixtrans-80.4-32.9168.9-60175.2169.700111.7H631 N633 R634 N661H631-E636 IonicContact CE1-OE1 3.34Å; H631-E636 PolarHBondContact CE1-OE1 2.93Å; H631-E636 VanDerWaalsContact CE1-OE1 3.28Å; N633-E636 WeakPolarHBondContact O-CB 3.29Å; N633-E636 PolarHBondContact O-N 3.29Å; N633-E636 VanDerWaalsContact O-N 3.17Å; R634-E636 VanDerWaalsContact C-N 3.25Å; E636-N661 VanDerWaalsContact CD-ND2 3.27Å; E636-N661 PolarHBondContact OE1-ND2 3.36Å; E636-N661 PolarHBondContact OE2-ND2 2.84Å
637V88.8Confident93.2Very high16 Ų1622 Ų2210%0.09711%0.106CC..Hα-helixtrans-76.2-53.5179.2174.40000110.9Y424 T428 F467 G468 N633 R634 K639Y424-V637 HydrophobicContact CD1-CB 4.25Å; Y424-V637 HydrophobicContact CD1-CG1 4.14Å; Y424-V637 HydrophobicContact CD1-CG2 4.44Å; T428-V637 HydrophobicContact CG2-CG2 4.03Å; F467-V637 VanDerWaalsContact O-CG1 3.28Å; F467-V637 WeakPolarHBondContact O-CG1 3.36Å; G468-V637 WeakPolarHBondContact CA-O 3.32Å; N633-V637 PolarHBondContact O-N 2.9Å; R634-V637 PolarHBondContact O-N 3.13Å; V637-K639 VanDerWaalsContact C-N 3.34Å; V637-K639 PolarHBondContact O-N 3.35Å
638A90.4Very high93.1Very high0 Ų022.5 Ų22.50%011%0.108CC..SBendtrans-91.372.7169.100000109.1L514 W538 R634 G640 P641L514-A638 HydrophobicContact CD2-CB 4.14Å; L514-A638 CarbonylContact O-C 3.46Å; L514-A638 VanDerWaalsContact O-C 3.24Å; W538-A638 HydrophobicContact CH2-CB 4.07Å; W538-A638 HydrophobicContact CZ2-CB 3.65Å; R634-A638 PolarHBondContact O-N 3.17Å; A638-G640 PolarHBondContact O-N 2.74Å; A638-P641 WeakPolarHBondContact O-CD 3.35Å
639K93.3Very high92.9Very high102 Ų10222.5 Ų22.544%0.44311%0.108SC..  trans-72.3-20.6-166.365.3-174.9-175.4174.40116.8L514 L515 D635 V637 L642 L643L514-K639 PolarHBondContact O-N 3.12Å; L515-K639 VanDerWaalsContact O-CE 3.31Å; L515-K639 WeakPolarHBondContact O-CE 3.43Å; D635-K639 WeakPolarHBondContact O-CA 3.27Å; V637-K639 VanDerWaalsContact C-N 3.34Å; V637-K639 PolarHBondContact O-N 3.35Å; K639-L642 PolarHBondContact O-N 3.3Å; K639-L643 HydrophobicContact CB-CD1 3.95Å; K639-L643 HydrophobicContact CB-CG 4.19Å; K639-L643 HydrophobicContact CD-CD1 3.81Å; K639-L643 HydrophobicContact CG-CD1 3.84Å; K639-L643 WeakPolarHBondContact O-CB 3.22Å; K639-L643 WeakPolarHBondContact O-CG 3.5Å; K639-L643 PolarHBondContact O-N 2.94Å
640G95.3Very high92.7Very high0 Ų032.6 Ų32.60%015%0.147CC..Hα-helixtrans-51.5-53.1-174.200000114L514 Y542 A638 L643 S644L514-G640 PolarHBondContact O-N 3.45Å; Y542-G640 VanDerWaalsContact OH-C 3.24Å; A638-G640 PolarHBondContact O-N 2.74Å; G640-L643 PolarHBondContact O-N 3.5Å; G640-S644 WeakPolarHBondContact O-CB 3.41Å; G640-S644 PolarHBondContact O-N 3.25Å; G640-S644 PolarHBondContact O-OG 3.45Å
641P95.6Very high92.5Very high0 Ų039.3 Ų39.30%018%0.177CC..Hα-helixtrans-56.6-51.5177.9-20.125.7000114.1W538 Y541 Y542 A638 S644 L645W538-P641 HydrophobicContact CB-CB 3.89Å; W538-P641 HydrophobicContact CB-CG 3.6Å; W538-P641 HydrophobicContact CD2-CG 4.32Å; W538-P641 HydrophobicContact CG-CB 4.14Å; W538-P641 HydrophobicContact CG-CG 3.62Å; Y541-P641 HydrophobicContact CD2-CB 4.38Å; Y542-P641 HydrophobicContact CD2-CB 3.96Å; Y542-P641 HydrophobicContact CD2-CG 4.07Å; Y542-P641 HydrophobicContact CE2-CB 3.82Å; Y542-P641 HydrophobicContact CE2-CG 3.55Å; A638-P641 WeakPolarHBondContact O-CD 3.35Å; P641-S644 WeakPolarHBondContact O-CB 3.4Å; P641-S644 PolarHBondContact O-N 3.41Å; P641-L645 PolarHBondContact O-N 3.1Å
642L96.3Very high92.4Very high11 Ų1140.5 Ų40.56%0.05819%0.185CC..Hα-helixtrans-66.3-43.4-177.9179.560.4000111.1Y541 I629 H631 D635 K639 S644 L645 L646Y541-L642 HydrophobicContact CD2-CB 4.43Å; Y541-L642 HydrophobicContact CE2-CD1 4.39Å; I629-L642 HydrophobicContact CG2-CD1 4.05Å; H631-L642 HydrophobicContact CB-CD2 4.3Å; D635-L642 HydrophobicContact CB-CB 4.44Å; D635-L642 HydrophobicContact CB-CD2 4.2Å; K639-L642 PolarHBondContact O-N 3.3Å; L642-S644 VanDerWaalsContact C-N 3.29Å; L642-S644 PolarHBondContact O-N 3.42Å; L642-L645 WeakPolarHBondContact O-CB 3.16Å; L642-L645 PolarHBondContact O-N 3.07Å; L642-L646 HydrophobicContact CD1-CD1 4.29Å; L642-L646 HydrophobicContact CD1-CG 4.28Å; L642-L646 HydrophobicContact CG-CD1 4.06Å; L642-L646 HydrophobicContact CG-CG 4.45Å; L642-L646 WeakPolarHBondContact O-CG 3.37Å; L642-L646 PolarHBondContact O-N 2.82Å
643L96.8Very high92.4Very high58 Ų5840.4 Ų40.430%0.30419%0.185SC..Hα-helixtrans-64.9-33.1177-69.7-178.3000112.6P517 K639 G640 L645 L646 N647P517-L643 HydrophobicContact CB-CB 3.94Å; P517-L643 HydrophobicContact CG-CB 4.38Å; K639-L643 HydrophobicContact CB-CD1 3.95Å; K639-L643 HydrophobicContact CB-CG 4.19Å; K639-L643 HydrophobicContact CD-CD1 3.81Å; K639-L643 HydrophobicContact CG-CD1 3.84Å; K639-L643 WeakPolarHBondContact O-CB 3.22Å; K639-L643 WeakPolarHBondContact O-CG 3.5Å; K639-L643 PolarHBondContact O-N 2.94Å; G640-L643 PolarHBondContact O-N 3.5Å; L643-L645 VanDerWaalsContact C-N 3.32Å; L643-L646 PolarHBondContact O-N 3.1Å; L643-N647 WeakPolarHBondContact O-CB 3.47Å; L643-N647 PolarHBondContact O-N 3.1Å; L643-N647 PolarHBondContact O-OD1 2.97Å
644S97Very high92.3Very high1 Ų142.7 Ų42.71%0.00720%0.201CC..Hα-helixtrans-63.2-42.2175.2-540000111.3P517 L518 Y542 G640 P641 L642 F648P517-S644 WeakPolarHBondContact CA-OG 3.45Å; L518-S644 PolarHBondContact N-OG 2.92Å; L518-S644 WeakPolarHBondContact O-CB 3.41Å; Y542-S644 WeakPolarHBondContact CE1-OG 3.39Å; G640-S644 WeakPolarHBondContact O-CB 3.41Å; G640-S644 PolarHBondContact O-N 3.25Å; G640-S644 PolarHBondContact O-OG 3.45Å; P641-S644 WeakPolarHBondContact O-CB 3.4Å; P641-S644 PolarHBondContact O-N 3.41Å; L642-S644 VanDerWaalsContact C-N 3.29Å; L642-S644 PolarHBondContact O-N 3.42Å; S644-F648 WeakPolarHBondContact O-CB 3.32Å; S644-F648 PolarHBondContact O-N 2.99Å; S644-F648 VanDerWaalsContact O-N 3.09Å
645L96.3Very high92.4Very high0 Ų041.3 Ų41.30%020%0.197CC..Hα-helixtrans-60.6-53.1174.3179.367.8000111.5Y541 C544 I629 P641 L642 L643 N647 F648 Y649Y541-L645 HydrophobicContact CD1-CD2 3.89Å; Y541-L645 HydrophobicContact CE1-CD2 4.35Å; Y541-L645 HydrophobicContact CG-CD2 4.34Å; C544-L645 HydrophobicContact CB-CD1 3.36Å; I629-L645 HydrophobicContact CD1-CD2 4.19Å; I629-L645 HydrophobicContact CG1-CD2 4.25Å; I629-L645 HydrophobicContact CG2-CD2 4.11Å; P641-L645 PolarHBondContact O-N 3.1Å; L642-L645 WeakPolarHBondContact O-CB 3.16Å; L642-L645 PolarHBondContact O-N 3.07Å; L643-L645 VanDerWaalsContact C-N 3.32Å; L645-N647 PolarHBondContact O-N 2.88Å; L645-F648 PolarHBondContact O-N 3.23Å; L645-Y649 HydrophobicContact CD1-CD1 3.96Å; L645-Y649 HydrophobicContact CD1-CE1 3.27Å; L645-Y649 HydrophobicContact CG-CD1 4.43Å; L645-Y649 HydrophobicContact CG-CE1 4.09Å; L645-Y649 WeakPolarHBondContact O-CD1 3.33Å; L645-Y649 PolarHBondContact O-N 2.84Å
646L96.6Very high92.5Very high37 Ų3742.3 Ų42.319%0.19420%0.203CC..Hα-helixtrans-65.3-41-176-62.9175.7000112I629 L642 L643 Y649 R650 V657 T659I629-L646 HydrophobicContact CG1-CD2 4.45Å; L642-L646 HydrophobicContact CD1-CD1 4.29Å; L642-L646 HydrophobicContact CD1-CG 4.28Å; L642-L646 HydrophobicContact CG-CD1 4.06Å; L642-L646 HydrophobicContact CG-CG 4.45Å; L642-L646 WeakPolarHBondContact O-CG 3.37Å; L642-L646 PolarHBondContact O-N 2.82Å; L643-L646 PolarHBondContact O-N 3.1Å; L646-Y649 PolarHBondContact O-N 3.39Å; L646-R650 WeakPolarHBondContact O-CB 3.38Å; L646-R650 PolarHBondContact O-N 3.32Å; L646-V657 HydrophobicContact CD2-CG1 3.66Å; L646-T659 HydrophobicContact CD1-CG2 3.87Å; L646-T659 HydrophobicContact CD2-CG2 3.88Å; L646-T659 HydrophobicContact CG-CG2 4.49Å
647N95.5Very high92.8Very high59 Ų5939.2 Ų39.232%0.31619%0.191SC..Hα-helixtrans-62.9-45.4176.6-73.2-3.7000111L643 L645 Y649 R650 E651L643-N647 WeakPolarHBondContact O-CB 3.47Å; L643-N647 PolarHBondContact O-N 3.1Å; L643-N647 PolarHBondContact O-OD1 2.97Å; L645-N647 PolarHBondContact O-N 2.88Å; N647-Y649 VanDerWaalsContact C-N 3.33Å; N647-Y649 PolarHBondContact O-N 3.02Å; N647-R650 PolarHBondContact O-N 3.16Å; N647-E651 WeakPolarHBondContact O-CB 3.2Å; N647-E651 VanDerWaalsContact O-CG 3.27Å; N647-E651 WeakPolarHBondContact O-CG 3.34Å; N647-E651 PolarHBondContact O-N 3.01Å
648F93.5Very high93.2Very high10 Ų1039.2 Ų39.24%0.04419%0.191CC..Hα-helixtrans-57.5-47.1175.7179.8-111.1000111.4K520 C544 G545 N604 Y606 S644 L645 R650 E651 T652K520-F648 HydrophobicContact CD-CE2 4.1Å; C544-F648 VanDerWaalsContact O-CD1 3.23Å; C544-F648 WeakPolarHBondContact O-CD1 3.43Å; C544-F648 WeakPolarHBondContact O-CE1 3.35Å; G545-F648 VanDerWaalsContact O-CB 3.23Å; G545-F648 WeakPolarHBondContact O-CB 3.22Å; G545-F648 WeakPolarHBondContact O-CG 3.24Å; N604-F648 HydrophobicContact CB-CZ 4.5Å; Y606-F648 HydrophobicContact CD1-CE1 4.27Å; Y606-F648 HydrophobicContact CE1-CD1 4.26Å; Y606-F648 AromaticContact CE1-CE1 3.71Å; Y606-F648 HydrophobicContact CE1-CE1 3.71Å; Y606-F648 HydrophobicContact CE1-CZ 4.39Å; S644-F648 WeakPolarHBondContact O-CB 3.32Å; S644-F648 PolarHBondContact O-N 2.99Å; S644-F648 VanDerWaalsContact O-N 3.09Å; L645-F648 PolarHBondContact O-N 3.23Å; F648-R650 VanDerWaalsContact C-N 3.32Å; F648-R650 PolarHBondContact O-N 3.3Å; F648-E651 PolarHBondContact O-N 2.63Å; F648-E651 VanDerWaalsContact O-N 3.17Å; F648-T652 HydrophobicContact CD2-CG2 3.79Å; F648-T652 HydrophobicContact CE2-CG2 3.44Å; F648-T652 VanDerWaalsContact CE2-CG2 3.44Å; F648-T652 HydrophobicContact CZ-CG2 4.01Å; F648-T652 PolarHBondContact O-N 3.49Å; F648-T652 PolarHBondContact O-OG1 3.33Å
649Y93.6Very high93.5Very high1 Ų142 Ų420%0.00421%0.208CC..Hα-helixtrans-64-40.1-179.9-76.529.6000111.3Y606 L607 I627 I629 L645 L646 N647 E651 Q653 V657Y606-Y649 AromaticContact CD1-CD1 3.74Å; Y606-Y649 HydrophobicContact CD1-CD1 3.74Å; Y606-Y649 HydrophobicContact CD1-CD2 4.45Å; Y606-Y649 AromaticContact CD1-CE1 3.68Å; Y606-Y649 HydrophobicContact CD1-CE1 3.68Å; Y606-Y649 HydrophobicContact CD1-CE2 4.42Å; Y606-Y649 HydrophobicContact CD1-CG 4.14Å; Y606-Y649 HydrophobicContact CE1-CD1 4.26Å; L607-Y649 WeakPolarHBondContact CA-OH 3.32Å; L607-Y649 PolarHBondContact N-OH 3.37Å; L607-Y649 VanDerWaalsContact O-CE2 3.31Å; L607-Y649 WeakPolarHBondContact O-CE2 3.43Å; L607-Y649 PolarHBondContact O-OH 2.98Å; I627-Y649 HydrophobicContact CD1-CD2 4.11Å; I627-Y649 HydrophobicContact CD1-CE2 4.21Å; I627-Y649 HydrophobicContact CG2-CD2 4.39Å; I627-Y649 HydrophobicContact CG2-CE2 4.08Å; I629-Y649 HydrophobicContact CD1-CE2 4.31Å; L645-Y649 HydrophobicContact CD1-CD1 3.96Å; L645-Y649 HydrophobicContact CD1-CE1 3.27Å; L645-Y649 HydrophobicContact CG-CD1 4.43Å; L645-Y649 HydrophobicContact CG-CE1 4.09Å; L645-Y649 WeakPolarHBondContact O-CD1 3.33Å; L645-Y649 PolarHBondContact O-N 2.84Å; L646-Y649 PolarHBondContact O-N 3.39Å; N647-Y649 VanDerWaalsContact C-N 3.33Å; N647-Y649 PolarHBondContact O-N 3.02Å; Y649-E651 VanDerWaalsContact C-N 3.29Å; Y649-E651 PolarHBondContact O-N 3.24Å; Y649-Q653 VanDerWaalsContact O-CG 3.22Å; Y649-Q653 WeakPolarHBondContact O-CG 3.28Å; Y649-Q653 PolarHBondContact O-N 3.11Å; Y649-Q653 PolarHBondContact O-NE2 3.36Å; Y649-V657 HydrophobicContact CD2-CG1 4.19Å; Y649-V657 HydrophobicContact CD2-CG2 3.86Å; Y649-V657 HydrophobicContact CG-CG2 4.41Å
650R91.6Very high93.6Very high212 Ų21237.3 Ų37.380%0.819%0.188SC*.Hα-helixtrans-64.8-33.9176.7-174.8179.8179-179.32112.7L646 N647 F648L646-R650 WeakPolarHBondContact O-CB 3.38Å; L646-R650 PolarHBondContact O-N 3.32Å; N647-R650 PolarHBondContact O-N 3.16Å; F648-R650 VanDerWaalsContact C-N 3.32Å; F648-R650 PolarHBondContact O-N 3.3Å
651E90.1Very high93.4Very high144 Ų14437.9 Ų37.967%0.67319%0.191SC*.Hα-helixtrans-84.2-27.1-176.6-73.3172.5-170.900113.3N647 F648 Y649N647-E651 WeakPolarHBondContact O-CB 3.2Å; N647-E651 VanDerWaalsContact O-CG 3.27Å; N647-E651 WeakPolarHBondContact O-CG 3.34Å; N647-E651 PolarHBondContact O-N 3.01Å; F648-E651 PolarHBondContact O-N 2.63Å; F648-E651 VanDerWaalsContact O-N 3.17Å; Y649-E651 VanDerWaalsContact C-N 3.29Å; Y649-E651 PolarHBondContact O-N 3.24Å
652T88.2Confident93.1Very high32 Ų3238.8 Ų38.820%0.19620%0.195CC..Hα-helixtrans-116.6-5.9-169.4670000115.5N599 Y606 F648N599-T652 PolarHBondContact ND2-O 2.73Å; Y606-T652 VanDerWaalsContact CE1-OG1 3.23Å; Y606-T652 WeakPolarHBondContact CE1-OG1 3.36Å; Y606-T652 VanDerWaalsContact OH-CB 3.26Å; Y606-T652 WeakPolarHBondContact OH-CB 3.38Å; Y606-T652 PolarHBondContact OH-O 2.87Å; Y606-T652 PolarHBondContact OH-OG1 3.31Å; F648-T652 HydrophobicContact CD2-CG2 3.79Å; F648-T652 HydrophobicContact CE2-CG2 3.44Å; F648-T652 VanDerWaalsContact CE2-CG2 3.44Å; F648-T652 HydrophobicContact CZ-CG2 4.01Å; F648-T652 PolarHBondContact O-N 3.49Å; F648-T652 PolarHBondContact O-OG1 3.33Å
653Q87.2Confident92.7Very high18 Ų1838.7 Ų38.78%0.08420%0.195CC..  trans-148.3163.4176.463.475.753.200111.6Y597 Y606 Y649 L655Y597-Q653 HydrophobicContact CD2-CB 4.04Å; Y597-Q653 HydrophobicContact CE2-CB 4.24Å; Y597-Q653 HydrophobicContact CG-CB 4.21Å; Y606-Q653 HydrophobicContact CD1-CG 4.04Å; Y606-Q653 HydrophobicContact CE1-CB 4.21Å; Y606-Q653 HydrophobicContact CE1-CG 3.73Å; Y606-Q653 HydrophobicContact CE2-CB 4.18Å; Y606-Q653 HydrophobicContact CE2-CG 4.36Å; Y606-Q653 HydrophobicContact CG-CG 4.48Å; Y649-Q653 VanDerWaalsContact O-CG 3.22Å; Y649-Q653 WeakPolarHBondContact O-CG 3.28Å; Y649-Q653 PolarHBondContact O-N 3.11Å; Y649-Q653 PolarHBondContact O-NE2 3.36Å; Q653-L655 PolarHBondContact NE2-O 3.46Å; Q653-L655 VanDerWaalsContact OE1-CA 3.28Å; Q653-L655 PolarHBondContact OE1-O 3.28Å
654S85.5Confident92.2Very high55 Ų5538.9 Ų38.939%0.38520%0.199SC..  trans-103.7-0.7-170.168.50000115.5Y597 L697Y597-S654 PolarHBondContact OH-OG 2.79Å; S654-L697 WeakPolarHBondContact OG-CD2 3.47Å
655L89.3Confident91.9Very high7 Ų740.6 Ų40.64%0.03721%0.205CC..SBendtrans-79.4142.2-179.5-46.4172.9000110.2I595 Y597 I627 Q653 M692 L697 I700I595-L655 HydrophobicContact CD1-CD1 4.33Å; I595-L655 HydrophobicContact CG2-CD1 4.39Å; Y597-L655 HydrophobicContact CE2-CG 4.38Å; I627-L655 HydrophobicContact CD1-CB 4.36Å; I627-L655 HydrophobicContact CD1-CD1 4.14Å; I627-L655 HydrophobicContact CG1-CB 4.47Å; I627-L655 HydrophobicContact CG1-CD1 4.34Å; Q653-L655 PolarHBondContact NE2-O 3.46Å; Q653-L655 VanDerWaalsContact OE1-CA 3.28Å; Q653-L655 PolarHBondContact OE1-O 3.28Å; L655-M692 HydrophobicContact CB-CE 4.46Å; L655-M692 HydrophobicContact CD2-CE 3.57Å; L655-L697 HydrophobicContact CD2-CD1 4.45Å; L655-L697 HydrophobicContact CD2-CD2 4.23Å; L655-I700 HydrophobicContact CD1-CD1 3.88Å; L655-I700 HydrophobicContact CD2-CD1 3.77Å; L655-I700 HydrophobicContact CG-CD1 4.43Å
656P93.1Very high91.4Very high22 Ų2245.6 Ų45.614%0.14323%0.228CC..  trans-59.5141170.3-21.531.9000111.5V626 I627 E688 M692V626-P656 HydrophobicContact CG1-CB 4.47Å; V626-P656 HydrophobicContact CG2-CB 4.12Å; V626-P656 HydrophobicContact CG2-CG 4.21Å; I627-P656 PolarHBondContact N-O 2.85Å; P656-E688 HydrophobicContact CB-CB 4.26Å; P656-E688 HydrophobicContact CB-CG 4.39Å; P656-E688 WeakPolarHBondContact CB-OE2 3.21Å; P656-E688 HydrophobicContact CG-CB 4.31Å; P656-E688 WeakPolarHBondContact CG-OE2 3.21Å; P656-M692 VanDerWaalsContact CD-CE 3.45Å; P656-M692 WeakPolarHBondContact CD-SD 3.44Å; P656-M692 HydrophobicContact CG-CE 4.38Å; P656-M692 HydrophobicContact CG-CG 3.95Å; P656-M692 HydrophobicContact CG-SD 3.57Å; P656-M692 VanDerWaalsContact CG-SD 3.57Å
657V95.3Very high90.8Very high39 Ų3948 Ų4824%0.23624%0.241CC..EExtended strand (participates in β ladder)trans-124.7110.6179.1-1720000108.5I627 I629 L646 Y649I627-V657 HydrophobicContact CB-CG1 4.39Å; I627-V657 HydrophobicContact CB-CG2 4.26Å; I627-V657 HydrophobicContact CD1-CG2 4.39Å; I627-V657 HydrophobicContact CG2-CG1 4.16Å; I627-V657 CarbonylContact O-C 3.55Å; I627-V657 WeakPolarHBondContact O-CA 3.42Å; I629-V657 HydrophobicContact CG1-CG1 4.08Å; L646-V657 HydrophobicContact CD2-CG1 3.66Å; Y649-V657 HydrophobicContact CD2-CG1 4.19Å; Y649-V657 HydrophobicContact CD2-CG2 3.86Å; Y649-V657 HydrophobicContact CG-CG2 4.41Å
658L96.9Very high90.4Very high16 Ų1647.3 Ų47.38%0.08424%0.237CC..EExtended strand (participates in β ladder)trans-103.6152.4175.5-60.1-178.2000110.4V626 I627 C628 I629 F681 E684 V685 E688V626-L658 HydrophobicContact CG1-CB 4.47Å; V626-L658 HydrophobicContact CG1-CD1 3.9Å; V626-L658 HydrophobicContact CG1-CG 3.94Å; I627-L658 PolarHBondContact O-N 3.43Å; C628-L658 VanDerWaalsContact CA-O 3.32Å; C628-L658 WeakPolarHBondContact CA-O 3.44Å; I629-L658 PolarHBondContact N-O 3.48Å; L658-F681 HydrophobicContact CB-CE2 4.04Å; L658-F681 HydrophobicContact CB-CZ 4.05Å; L658-F681 HydrophobicContact CD1-CE2 4.46Å; L658-E684 HydrophobicContact CD1-CG 4.02Å; L658-E684 HydrophobicContact CD2-CG 4.43Å; L658-V685 HydrophobicContact CD1-CB 4.47Å; L658-V685 HydrophobicContact CD1-CG2 3.74Å; L658-E688 HydrophobicContact CD1-CG 4.34Å; L658-E688 HydrophobicContact CD2-CG 4.42Å
659T96.2Very high89.9Confident59 Ų5951.5 Ų51.536%0.36227%0.265SS..EExtended strand (participates in β ladder)trans-115.8135.7177.954.40000110.7I629 L646I629-T659 HydrophobicContact CB-CG2 4.43Å; I629-T659 CarbonylContact O-C 3.58Å; I629-T659 WeakPolarHBondContact O-CA 2.99Å; L646-T659 HydrophobicContact CD1-CG2 3.87Å; L646-T659 HydrophobicContact CD2-CG2 3.88Å; L646-T659 HydrophobicContact CG-CG2 4.49Å
660F95Very high89.6Confident3 Ų359 Ų591%0.01330%0.295CS..EExtended strand (participates in β ladder)trans-118.2115.4175.3-169.8-90000111I573 F577 I629 V630 H631 I662 W665 M677 F681I573-F660 HydrophobicContact CD1-CE1 3.92Å; I573-F660 HydrophobicContact CG1-CE1 4.46Å; I573-F660 HydrophobicContact CG2-CD1 4.21Å; I573-F660 HydrophobicContact CG2-CE1 4.12Å; F577-F660 HydrophobicContact CE1-CD2 4.32Å; F577-F660 AromaticContact CE1-CE2 3.93Å; F577-F660 HydrophobicContact CE1-CE2 3.93Å; F577-F660 HydrophobicContact CE1-CZ 4.13Å; F577-F660 HydrophobicContact CZ-CD1 4.46Å; F577-F660 AromaticContact CZ-CD2 3.87Å; F577-F660 HydrophobicContact CZ-CD2 3.87Å; F577-F660 AromaticContact CZ-CE2 3.95Å; F577-F660 HydrophobicContact CZ-CE2 3.95Å; F577-F660 HydrophobicContact CZ-CG 4.13Å; F577-F660 HydrophobicContact CZ-CZ 4.28Å; I629-F660 PolarHBondContact O-N 2.77Å; V630-F660 WeakPolarHBondContact CA-O 3.37Å; H631-F660 PolarHBondContact N-O 3.25Å; F660-I662 PolarHBondContact O-N 3.38Å; F660-W665 HydrophobicContact CE1-CB 3.76Å; F660-W665 HydrophobicContact CE1-CG 4.08Å; F660-W665 HydrophobicContact CZ-CB 3.79Å; F660-W665 AromaticContact CZ-CD1 3.94Å; F660-W665 AromaticContact CZ-CG 3.89Å; F660-W665 HydrophobicContact CZ-CG 3.89Å; F660-M677 HydrophobicContact CE2-CE 4.05Å; F660-M677 HydrophobicContact CE2-CG 4.49Å; F660-M677 HydrophobicContact CZ-CE 3.99Å; F660-M677 HydrophobicContact CZ-SD 4.43Å; F660-F681 HydrophobicContact CB-CE2 4.18Å; F660-F681 HydrophobicContact CB-CZ 4.08Å; F660-F681 HydrophobicContact CD2-CB 4.21Å; F660-F681 AromaticContact CD2-CD1 3.87Å; F660-F681 HydrophobicContact CD2-CD1 3.87Å; F660-F681 AromaticContact CD2-CD2 3.74Å; F660-F681 HydrophobicContact CD2-CD2 3.74Å; F660-F681 HydrophobicContact CD2-CE1 4.16Å; F660-F681 HydrophobicContact CD2-CE2 4.02Å; F660-F681 AromaticContact CD2-CG 3.65Å; F660-F681 HydrophobicContact CD2-CG 3.65Å; F660-F681 HydrophobicContact CD2-CZ 4.23Å; F660-F681 HydrophobicContact CE2-CB 4.13Å; F660-F681 HydrophobicContact CE2-CD1 4.36Å; F660-F681 HydrophobicContact CE2-CD2 4.47Å; F660-F681 HydrophobicContact CE2-CG 4.06Å
661N92.1Very high89.5Confident12 Ų1254.8 Ų54.86%0.06429%0.288CS..EExtended strand (participates in β ladder)trans-81.6106.9177.3-175.4-26.2000111H631 N633 E636 C663 T664 W665H631-N661 WeakPolarHBondContact O-CA 3.34Å; N633-N661 PolarHBondContact OD1-ND2 2.87Å; N633-N661 PolarHBondContact OD1-OD1 3.46Å; E636-N661 VanDerWaalsContact CD-ND2 3.27Å; E636-N661 PolarHBondContact OE1-ND2 3.36Å; E636-N661 PolarHBondContact OE2-ND2 2.84Å; N661-C663 PolarHBondContact O-N 2.94Å; N661-C663 WeakPolarHBondContact OD1-CB 3.49Å; N661-C663 PolarHBondContact OD1-N 2.9Å; N661-T664 PolarHBondContact ND2-OG1 3.26Å; N661-T664 PolarHBondContact OD1-N 3.48Å; N661-W665 PolarHBondContact O-N 3.45Å
662I89.7Confident89.6Confident19 Ų1955 Ų5510%0.09729%0.287CS..Hα-helixtrans-72.2-30.8-176.2-162.2171.2000113.7V569 I573 V630 H631 E632 F660 W665 H666V569-I662 HydrophobicContact CB-CD1 4.44Å; V569-I662 HydrophobicContact CG1-CD1 3.03Å; V569-I662 HydrophobicContact CG1-CG1 4.44Å; I573-I662 HydrophobicContact CD1-CD1 4.06Å; I573-I662 HydrophobicContact CD1-CG1 3.87Å; I573-I662 HydrophobicContact CG1-CD1 3.53Å; I573-I662 HydrophobicContact CG1-CG1 3.82Å; V630-I662 HydrophobicContact CG1-CB 3.97Å; V630-I662 HydrophobicContact CG1-CD1 4.28Å; H631-I662 WeakPolarHBondContact O-CG2 3.33Å; H631-I662 PolarHBondContact O-N 3.06Å; E632-I662 HydrophobicContact CG-CG2 3.92Å; F660-I662 PolarHBondContact O-N 3.38Å; I662-W665 PolarHBondContact O-N 3.33Å; I662-H666 VanDerWaalsContact O-CB 3.27Å; I662-H666 WeakPolarHBondContact O-CB 3.43Å; I662-H666 PolarHBondContact O-N 3.02Å
663C86.6Confident89.8Confident8 Ų856.1 Ų56.15%0.05429%0.292CS..Hα-helixtrans-65.8-46.3-179.4-74.50000110.1C421 N633 N661 W665 H666 N667C421-C663 VanDerWaalsContact SG-CB 3.52Å; C421-C663 PolarHBondContact SG-SG 3.23Å; N633-C663 HydrophobicContact CB-CB 4.2Å; N633-C663 WeakPolarHBondContact OD1-CB 3.24Å; N661-C663 PolarHBondContact O-N 2.94Å; N661-C663 WeakPolarHBondContact OD1-CB 3.49Å; N661-C663 PolarHBondContact OD1-N 2.9Å; C663-W665 VanDerWaalsContact C-N 3.34Å; C663-W665 PolarHBondContact O-N 2.87Å; C663-H666 PolarHBondContact O-N 3.02Å; C663-N667 VanDerWaalsContact O-CB 3.28Å; C663-N667 WeakPolarHBondContact O-CB 3.3Å; C663-N667 PolarHBondContact O-N 3.34Å; C663-N667 PolarHBondContact O-ND2 3.39Å
664T88Confident90Very high62 Ų6257.1 Ų57.138%0.3830%0.296SS..Hα-helixtrans-55.6-49.4174.2-620000110.9N633 N661 H666 N667 L668 M677N633-T664 PolarHBondContact OD1-OG1 2.88Å; N661-T664 PolarHBondContact ND2-OG1 3.26Å; N661-T664 PolarHBondContact OD1-N 3.48Å; T664-H666 PolarHBondContact O-N 3.09Å; T664-N667 PolarHBondContact O-N 3.33Å; T664-L668 WeakPolarHBondContact O-CG 3.42Å; T664-L668 PolarHBondContact O-N 3.47Å; T664-M677 HydrophobicContact CG2-CE 3.93Å; T664-M677 HydrophobicContact CG2-SD 4.2Å
665W89.8Confident90.3Very high37 Ų3757.7 Ų57.714%0.1429%0.292CS..Hα-helixtrans-62.9-44.4177.4179.980.1000113.3I573 A576 F660 N661 I662 C663 N667 L668 K674 M677I573-W665 HydrophobicContact CD1-CD2 3.53Å; I573-W665 HydrophobicContact CD1-CE3 3.15Å; I573-W665 HydrophobicContact CD1-CG 4.27Å; I573-W665 HydrophobicContact CD1-CH2 3.76Å; I573-W665 HydrophobicContact CD1-CZ2 4.14Å; I573-W665 HydrophobicContact CD1-CZ3 3.26Å; I573-W665 HydrophobicContact CG1-CZ3 4.5Å; A576-W665 HydrophobicContact CB-CH2 4.09Å; A576-W665 HydrophobicContact CB-CZ2 3.63Å; F660-W665 HydrophobicContact CE1-CB 3.76Å; F660-W665 HydrophobicContact CE1-CG 4.08Å; F660-W665 HydrophobicContact CZ-CB 3.79Å; F660-W665 AromaticContact CZ-CD1 3.94Å; F660-W665 AromaticContact CZ-CG 3.89Å; F660-W665 HydrophobicContact CZ-CG 3.89Å; N661-W665 PolarHBondContact O-N 3.45Å; I662-W665 PolarHBondContact O-N 3.33Å; C663-W665 VanDerWaalsContact C-N 3.34Å; C663-W665 PolarHBondContact O-N 2.87Å; W665-N667 VanDerWaalsContact C-N 3.32Å; W665-N667 PolarHBondContact O-N 2.98Å; W665-L668 PolarHBondContact O-N 3.43Å; W665-K674 PolarHBondContact NE1-O 2.94Å; W665-K674 VanDerWaalsContact O-CE 3.24Å; W665-K674 WeakPolarHBondContact O-CE 3.35Å; W665-M677 VanDerWaalsContact CA-SD 3.59Å; W665-M677 HydrophobicContact CB-CE 4.12Å; W665-M677 HydrophobicContact CB-SD 3.69Å; W665-M677 HydrophobicContact CG-SD 4.28Å
666H85.5Confident90.5Very high106 Ų10660.6 Ų60.649%0.49131%0.308SS..Hα-helixtrans-65-38.3-177-170.768.7000112.2I662 C663 T664 L668 K674I662-H666 VanDerWaalsContact O-CB 3.27Å; I662-H666 WeakPolarHBondContact O-CB 3.43Å; I662-H666 PolarHBondContact O-N 3.02Å; C663-H666 PolarHBondContact O-N 3.02Å; T664-H666 PolarHBondContact O-N 3.09Å; H666-L668 VanDerWaalsContact C-N 3.3Å; H666-L668 PolarHBondContact O-N 2.95Å; H666-K674 WeakPolarHBondContact O-CE 3.25Å; H666-K674 PolarHBondContact O-NZ 3.45Å
667N84Confident90.5Very high86 Ų8661.8 Ų61.846%0.4631%0.311SS..Hα-helixtrans-78.9-7-176.4-67.2-19.7000114.1C421 C663 T664 W665C421-N667 PolarHBondContact SG-ND2 3.22Å; C663-N667 VanDerWaalsContact O-CB 3.28Å; C663-N667 WeakPolarHBondContact O-CB 3.3Å; C663-N667 PolarHBondContact O-N 3.34Å; C663-N667 PolarHBondContact O-ND2 3.39Å; T664-N667 PolarHBondContact O-N 3.33Å; W665-N667 VanDerWaalsContact C-N 3.32Å; W665-N667 PolarHBondContact O-N 2.98Å
668L86.3Confident90.4Very high45 Ų4560 Ų6024%0.23630%0.301CS..  trans-61.3132.4174.3-71.3169.8000110.7T664 W665 H666 D673 K674 M677T664-L668 WeakPolarHBondContact O-CG 3.42Å; T664-L668 PolarHBondContact O-N 3.47Å; W665-L668 PolarHBondContact O-N 3.43Å; H666-L668 VanDerWaalsContact C-N 3.3Å; H666-L668 PolarHBondContact O-N 2.95Å; L668-D673 HydrophobicContact CB-CB 4.23Å; L668-D673 HydrophobicContact CD1-CB 4.18Å; L668-D673 HydrophobicContact CD2-CB 4.12Å; L668-D673 HydrophobicContact CG-CB 4.4Å; L668-K674 HydrophobicContact CB-CG 3.67Å; L668-K674 HydrophobicContact CD1-CG 4.07Å; L668-K674 HydrophobicContact CG-CG 4.5Å; L668-K674 WeakPolarHBondContact O-CE 3.41Å; L668-M677 HydrophobicContact CD1-CB 4.04Å; L668-M677 HydrophobicContact CD1-SD 3.85Å
669P83Confident90.2Very high98 Ų9861.9 Ų61.964%0.63631%0.309SS*.SBendtrans-74.7-35.2-171.427.8-33.8000112.9
670Y89.3Confident90.1Very high159 Ų15962.9 Ų62.962%0.62431%0.312SS*.SBendtrans-109.9141.2-175.1-54.4-66.8000111.3K672 D673 K674Y670-K672 PolarHBondContact O-N 3.2Å; Y670-D673 VanDerWaalsContact CD2-OD2 3.31Å; Y670-D673 WeakPolarHBondContact CD2-OD2 3.42Å; Y670-D673 PolarHBondContact O-N 2.62Å; Y670-D673 VanDerWaalsContact O-N 3.12Å; Y670-K674 PolarHBondContact O-N 2.66Å
671N89.3Confident90.2Very high124 Ų12463.4 Ų63.466%0.66331%0.314SS*.Hα-helixtrans-58.7-32.8175.6-73-23.5000112.2D673 K674 E675N671-D673 PolarHBondContact O-N 2.97Å; N671-K674 WeakPolarHBondContact O-CB 3.39Å; N671-K674 PolarHBondContact O-N 3.02Å; N671-E675 WeakPolarHBondContact O-CG 3.48Å; N671-E675 PolarHBondContact O-N 2.95Å
672K92.1Very high90.2Very high148 Ų14862.8 Ų62.864%0.64331%0.311SS*.Hα-helixtrans-62-42176.5-171.4-179178.7-176.30111.9Y670 K674 E675 I676Y670-K672 PolarHBondContact O-N 3.2Å; K672-K674 VanDerWaalsContact C-N 3.32Å; K672-K674 PolarHBondContact O-N 3.42Å; K672-E675 PolarHBondContact O-N 3.45Å; K672-I676 HydrophobicContact CG-CD1 4.08Å; K672-I676 VanDerWaalsContact O-CG1 3.29Å; K672-I676 WeakPolarHBondContact O-CG1 3.42Å; K672-I676 PolarHBondContact O-N 3.39Å
673D92Very high90.4Very high55 Ų5568 Ų6829%0.29433%0.33SS..Hα-helixtrans-66.6-38.8178.5-56.4-22.8000110.9L668 Y670 N671 E675 I676 M677L668-D673 HydrophobicContact CB-CB 4.23Å; L668-D673 HydrophobicContact CD1-CB 4.18Å; L668-D673 HydrophobicContact CD2-CB 4.12Å; L668-D673 HydrophobicContact CG-CB 4.4Å; Y670-D673 VanDerWaalsContact CD2-OD2 3.31Å; Y670-D673 WeakPolarHBondContact CD2-OD2 3.42Å; Y670-D673 PolarHBondContact O-N 2.62Å; Y670-D673 VanDerWaalsContact O-N 3.12Å; N671-D673 PolarHBondContact O-N 2.97Å; D673-E675 VanDerWaalsContact C-N 3.33Å; D673-E675 PolarHBondContact O-N 3.47Å; D673-I676 PolarHBondContact O-N 2.95Å; D673-M677 PolarHBondContact O-N 3.12Å
674K91.5Very high90.8Very high39 Ų3972.1 Ų72.117%0.1735%0.348CS..Hα-helixtrans-60.7-42.4173.9-68.4-174.4-177.4-172.60112.1W665 H666 L668 Y670 N671 K672 V678W665-K674 PolarHBondContact NE1-O 2.94Å; W665-K674 VanDerWaalsContact O-CE 3.24Å; W665-K674 WeakPolarHBondContact O-CE 3.35Å; H666-K674 WeakPolarHBondContact O-CE 3.25Å; H666-K674 PolarHBondContact O-NZ 3.45Å; L668-K674 HydrophobicContact CB-CG 3.67Å; L668-K674 HydrophobicContact CD1-CG 4.07Å; L668-K674 HydrophobicContact CG-CG 4.5Å; L668-K674 WeakPolarHBondContact O-CE 3.41Å; Y670-K674 PolarHBondContact O-N 2.66Å; N671-K674 WeakPolarHBondContact O-CB 3.39Å; N671-K674 PolarHBondContact O-N 3.02Å; K672-K674 VanDerWaalsContact C-N 3.32Å; K672-K674 PolarHBondContact O-N 3.42Å; K674-V678 VanDerWaalsContact O-CG2 3.3Å; K674-V678 WeakPolarHBondContact O-CG2 3.28Å; K674-V678 PolarHBondContact O-N 2.64Å
675E91.3Very high91.1Very high67 Ų6769.2 Ų69.231%0.31333%0.33SS..Hα-helixtrans-66-43.6176.1-72.9176.2171.100111.1K579 N671 K672 D673 M677 V678 Q679K579-E675 IonicContact NZ-OE1 2.62Å; K579-E675 PolarHBondContact NZ-OE1 3.04Å; K579-E675 VanDerWaalsContact NZ-OE1 3.16Å; N671-E675 WeakPolarHBondContact O-CG 3.48Å; N671-E675 PolarHBondContact O-N 2.95Å; K672-E675 PolarHBondContact O-N 3.45Å; D673-E675 VanDerWaalsContact C-N 3.33Å; D673-E675 PolarHBondContact O-N 3.47Å; E675-M677 PolarHBondContact O-N 3.4Å; E675-V678 PolarHBondContact O-N 2.78Å; E675-Q679 WeakPolarHBondContact O-CB 3.48Å; E675-Q679 VanDerWaalsContact O-CG 3.25Å; E675-Q679 WeakPolarHBondContact O-CG 3.49Å; E675-Q679 PolarHBondContact O-N 3.25Å
676I92.7Very high91.1Very high69 Ų6968.3 Ų68.335%0.35433%0.33SS..Hα-helixtrans-60.7-46.4176.6-69.2164.2000111.6K672 D673 V678 Q679 N680K672-I676 HydrophobicContact CG-CD1 4.08Å; K672-I676 VanDerWaalsContact O-CG1 3.29Å; K672-I676 WeakPolarHBondContact O-CG1 3.42Å; K672-I676 PolarHBondContact O-N 3.39Å; D673-I676 PolarHBondContact O-N 2.95Å; I676-V678 VanDerWaalsContact C-N 3.31Å; I676-V678 PolarHBondContact O-N 3.31Å; I676-Q679 PolarHBondContact O-N 2.78Å; I676-N680 WeakPolarHBondContact O-CB 3.38Å; I676-N680 PolarHBondContact O-N 3.25Å
677M94.4Very high91.4Very high46 Ų4667.3 Ų67.323%0.22733%0.328CS..Hα-helixtrans-59.7-43.7178.1-177.9179.9178.700111.5F660 T664 W665 L668 D673 E675 F681F660-M677 HydrophobicContact CE2-CE 4.05Å; F660-M677 HydrophobicContact CE2-CG 4.49Å; F660-M677 HydrophobicContact CZ-CE 3.99Å; F660-M677 HydrophobicContact CZ-SD 4.43Å; T664-M677 HydrophobicContact CG2-CE 3.93Å; T664-M677 HydrophobicContact CG2-SD 4.2Å; W665-M677 VanDerWaalsContact CA-SD 3.59Å; W665-M677 HydrophobicContact CB-CE 4.12Å; W665-M677 HydrophobicContact CB-SD 3.69Å; W665-M677 HydrophobicContact CG-SD 4.28Å; L668-M677 HydrophobicContact CD1-CB 4.04Å; L668-M677 HydrophobicContact CD1-SD 3.85Å; D673-M677 PolarHBondContact O-N 3.12Å; E675-M677 PolarHBondContact O-N 3.4Å; M677-F681 WeakPolarHBondContact O-CB 3.37Å; M677-F681 PolarHBondContact O-N 3.18Å
678V93.5Very high91.8Very high1 Ų166.1 Ų66.11%0.00632%0.32CS..Hα-helixtrans-62.3-46.1175.5164.30000111.3F577 N580 K674 E675 I676 N680 F681 L682F577-V678 HydrophobicContact CD1-CB 4.32Å; F577-V678 HydrophobicContact CD1-CG1 3.59Å; F577-V678 HydrophobicContact CD1-CG2 3.99Å; F577-V678 HydrophobicContact CE1-CB 4.45Å; F577-V678 HydrophobicContact CE1-CG1 4.15Å; F577-V678 HydrophobicContact CE1-CG2 3.97Å; N580-V678 HydrophobicContact CB-CG1 3.69Å; K674-V678 VanDerWaalsContact O-CG2 3.3Å; K674-V678 WeakPolarHBondContact O-CG2 3.28Å; K674-V678 PolarHBondContact O-N 2.64Å; E675-V678 PolarHBondContact O-N 2.78Å; I676-V678 VanDerWaalsContact C-N 3.31Å; I676-V678 PolarHBondContact O-N 3.31Å; V678-N680 VanDerWaalsContact C-N 3.35Å; V678-N680 PolarHBondContact O-N 3.28Å; V678-F681 PolarHBondContact O-N 3.17Å; V678-L682 HydrophobicContact CG1-CD1 3.89Å; V678-L682 HydrophobicContact CG1-CG 4.29Å; V678-L682 WeakPolarHBondContact O-CG 3.44Å; V678-L682 PolarHBondContact O-N 3.47Å
679Q92.7Very high92Very high56 Ų5664 Ų6426%0.26231%0.308SS..Hα-helixtrans-64.2-39.1-179.4-72.91716.900112.5N580 L583 E675 I676 R683N580-Q679 HydrophobicContact CB-CG 4.42Å; N580-Q679 PolarHBondContact OD1-NE2 3.14Å; L583-Q679 HydrophobicContact CD1-CG 4.01Å; E675-Q679 WeakPolarHBondContact O-CB 3.48Å; E675-Q679 VanDerWaalsContact O-CG 3.25Å; E675-Q679 WeakPolarHBondContact O-CG 3.49Å; E675-Q679 PolarHBondContact O-N 3.25Å; I676-Q679 PolarHBondContact O-N 2.78Å; Q679-R683 PolarHBondContact O-N 2.95Å
680N94.2Very high92.3Very high80 Ų8062.4 Ų62.443%0.42830%0.295SS..Hα-helixtrans-65.3-43175.3-71.5-18.1000111.4I676 V678 R683 E684I676-N680 WeakPolarHBondContact O-CB 3.38Å; I676-N680 PolarHBondContact O-N 3.25Å; V678-N680 VanDerWaalsContact C-N 3.35Å; V678-N680 PolarHBondContact O-N 3.28Å; N680-R683 WeakPolarHBondContact O-CB 3.33Å; N680-R683 PolarHBondContact O-N 2.78Å; N680-E684 PolarHBondContact O-N 3.42Å; N680-E684 VanDerWaalsContact O-N 3.09Å
681F95.5Very high92.2Very high14 Ų1460.9 Ų60.96%0.06129%0.293CS..Hα-helixtrans-65.2-41.9176.5-175.8-99.6000112.4F577 F612 C628 L658 F660 M677 V678 R683 E684 V685F577-F681 HydrophobicContact CE1-CD1 4.13Å; F577-F681 HydrophobicContact CE2-CD1 4.3Å; F577-F681 HydrophobicContact CE2-CE1 4.12Å; F577-F681 AromaticContact CZ-CD1 3.69Å; F577-F681 HydrophobicContact CZ-CD1 3.69Å; F577-F681 AromaticContact CZ-CE1 3.85Å; F577-F681 HydrophobicContact CZ-CE1 3.85Å; F612-F681 HydrophobicContact CE2-CE1 4.05Å; F612-F681 HydrophobicContact CZ-CE1 4.03Å; C628-F681 HydrophobicContact CB-CZ 4.37Å; L658-F681 HydrophobicContact CB-CE2 4.04Å; L658-F681 HydrophobicContact CB-CZ 4.05Å; L658-F681 HydrophobicContact CD1-CE2 4.46Å; F660-F681 HydrophobicContact CB-CE2 4.18Å; F660-F681 HydrophobicContact CB-CZ 4.08Å; F660-F681 HydrophobicContact CD2-CB 4.21Å; F660-F681 AromaticContact CD2-CD1 3.87Å; F660-F681 HydrophobicContact CD2-CD1 3.87Å; F660-F681 AromaticContact CD2-CD2 3.74Å; F660-F681 HydrophobicContact CD2-CD2 3.74Å; F660-F681 HydrophobicContact CD2-CE1 4.16Å; F660-F681 HydrophobicContact CD2-CE2 4.02Å; F660-F681 AromaticContact CD2-CG 3.65Å; F660-F681 HydrophobicContact CD2-CG 3.65Å; F660-F681 HydrophobicContact CD2-CZ 4.23Å; F660-F681 HydrophobicContact CE2-CB 4.13Å; F660-F681 HydrophobicContact CE2-CD1 4.36Å; F660-F681 HydrophobicContact CE2-CD2 4.47Å; F660-F681 HydrophobicContact CE2-CG 4.06Å; M677-F681 WeakPolarHBondContact O-CB 3.37Å; M677-F681 PolarHBondContact O-N 3.18Å; V678-F681 PolarHBondContact O-N 3.17Å; F681-R683 VanDerWaalsContact C-N 3.26Å; F681-R683 PolarHBondContact O-N 3.28Å; F681-E684 WeakPolarHBondContact O-CB 3.47Å; F681-E684 PolarHBondContact O-N 3.06Å; F681-V685 HydrophobicContact CD1-CG2 4.09Å; F681-V685 HydrophobicContact CE1-CG2 3.72Å; F681-V685 HydrophobicContact CZ-CG2 4.12Å; F681-V685 WeakPolarHBondContact O-CG2 3.29Å; F681-V685 PolarHBondContact O-N 2.68Å
682L93.8Very high92Very high0 Ų055.2 Ų55.20%026%0.263CS..Hα-helixtrans-64.7-31.5175.7-71.3176.5000112.4F577 N580 F584 F612 V678 S686F577-L682 HydrophobicContact CB-CD2 4.32Å; F577-L682 HydrophobicContact CG-CD2 4.37Å; N580-L682 HydrophobicContact CB-CD1 4.06Å; F584-L682 HydrophobicContact CD2-CB 3.74Å; F584-L682 HydrophobicContact CD2-CD1 4Å; F584-L682 HydrophobicContact CD2-CG 4.49Å; F584-L682 HydrophobicContact CE2-CB 3.42Å; F584-L682 VanDerWaalsContact CE2-CB 3.42Å; F584-L682 HydrophobicContact CE2-CD1 4.12Å; F584-L682 HydrophobicContact CE2-CG 4.43Å; F584-L682 HydrophobicContact CG-CB 4.48Å; F584-L682 HydrophobicContact CZ-CB 3.92Å; F612-L682 HydrophobicContact CE1-CD2 3.65Å; F612-L682 HydrophobicContact CZ-CD2 4.24Å; V678-L682 HydrophobicContact CG1-CD1 3.89Å; V678-L682 HydrophobicContact CG1-CG 4.29Å; V678-L682 WeakPolarHBondContact O-CG 3.44Å; V678-L682 PolarHBondContact O-N 3.47Å; L682-S686 WeakPolarHBondContact O-CB 3.33Å; L682-S686 PolarHBondContact O-N 3.17Å
683R93Very high91.3Very high127 Ų12748.6 Ų48.648%0.47923%0.234SC..Hα-helixtrans-64.9-48.8172.2-170.6-177.5-58.6137.49.3111.1F584 Q679 N680 F681 V685 S686 D687F584-R683 HydrophobicContact CE1-CB 4.34Å; F584-R683 HydrophobicContact CZ-CB 4.1Å; Q679-R683 PolarHBondContact O-N 2.95Å; N680-R683 WeakPolarHBondContact O-CB 3.33Å; N680-R683 PolarHBondContact O-N 2.78Å; F681-R683 VanDerWaalsContact C-N 3.26Å; F681-R683 PolarHBondContact O-N 3.28Å; R683-V685 VanDerWaalsContact C-N 3.31Å; R683-V685 PolarHBondContact O-N 3.14Å; R683-S686 WeakPolarHBondContact O-CA 3.12Å; R683-S686 WeakPolarHBondContact O-CB 3.47Å; R683-S686 PolarHBondContact O-N 3.45Å; R683-D687 VanDerWaalsContact O-CG 3.23Å; R683-D687 PolarHBondContact O-N 3.14Å
684E94.6Very high90.3Very high96 Ų9651.7 Ų51.745%0.44925%0.251SS..Hα-helixtrans-56.9-43.7175.7-173.6179.9-177.500111.7L658 N680 F681 S686 D687 E688L658-E684 HydrophobicContact CD1-CG 4.02Å; L658-E684 HydrophobicContact CD2-CG 4.43Å; N680-E684 PolarHBondContact O-N 3.42Å; N680-E684 VanDerWaalsContact O-N 3.09Å; F681-E684 WeakPolarHBondContact O-CB 3.47Å; F681-E684 PolarHBondContact O-N 3.06Å; E684-S686 PolarHBondContact O-N 3.16Å; E684-D687 PolarHBondContact O-N 2.75Å; E684-E688 WeakPolarHBondContact O-CG 3.39Å; E684-E688 PolarHBondContact O-N 3.04Å
685V94Very high89.5Confident0 Ų054.2 Ų54.20%027%0.266CS..Hα-helixtrans-58.7-45.4172.8169.20000111.9F612 V626 L658 F681 R683 D687 E688 L689F612-V685 HydrophobicContact CB-CG1 3.71Å; F612-V685 HydrophobicContact CD1-CG1 3.66Å; F612-V685 HydrophobicContact CD2-CG1 4.1Å; F612-V685 HydrophobicContact CD2-CG2 4.18Å; F612-V685 HydrophobicContact CE1-CG1 4.25Å; F612-V685 HydrophobicContact CE1-CG2 4.44Å; F612-V685 HydrophobicContact CE2-CG2 4.09Å; F612-V685 HydrophobicContact CG-CG1 3.56Å; F612-V685 HydrophobicContact CG-CG2 4.4Å; F612-V685 HydrophobicContact CZ-CG2 4.22Å; V626-V685 HydrophobicContact CB-CG1 4.47Å; L658-V685 HydrophobicContact CD1-CB 4.47Å; L658-V685 HydrophobicContact CD1-CG2 3.74Å; F681-V685 HydrophobicContact CD1-CG2 4.09Å; F681-V685 HydrophobicContact CE1-CG2 3.72Å; F681-V685 HydrophobicContact CZ-CG2 4.12Å; F681-V685 WeakPolarHBondContact O-CG2 3.29Å; F681-V685 PolarHBondContact O-N 2.68Å; R683-V685 VanDerWaalsContact C-N 3.31Å; R683-V685 PolarHBondContact O-N 3.14Å; V685-D687 VanDerWaalsContact C-N 3.34Å; V685-E688 PolarHBondContact O-N 2.89Å; V685-L689 HydrophobicContact CG1-CD1 3.78Å; V685-L689 HydrophobicContact CG1-CG 4.46Å; V685-L689 WeakPolarHBondContact O-CB 3.27Å; V685-L689 VanDerWaalsContact O-CG 3.31Å; V685-L689 WeakPolarHBondContact O-CG 3.45Å; V685-L689 PolarHBondContact O-N 3.41Å
686S91Very high88.5Confident18 Ų1857.9 Ų57.913%0.12628%0.283CS..Hα-helixtrans-64.8-38.9179.5-170.60000111.9L682 R683 E684 L689 N690L682-S686 WeakPolarHBondContact O-CB 3.33Å; L682-S686 PolarHBondContact O-N 3.17Å; R683-S686 WeakPolarHBondContact O-CA 3.12Å; R683-S686 WeakPolarHBondContact O-CB 3.47Å; R683-S686 PolarHBondContact O-N 3.45Å; E684-S686 PolarHBondContact O-N 3.16Å; S686-L689 PolarHBondContact O-N 2.99Å; S686-N690 WeakPolarHBondContact O-CB 3.5Å; S686-N690 PolarHBondContact O-N 2.97Å; S686-N690 PolarHBondContact O-ND2 3.14Å; S686-N690 VanDerWaalsContact O-ND2 3.1Å
687D91.8Very high87.5Confident86 Ų8655.4 Ų55.446%0.4627%0.27SS..Hα-helixtrans-64-47.4178.5-65.3-25000110.1R683 E684 V685 L689 N690 E691R683-D687 VanDerWaalsContact O-CG 3.23Å; R683-D687 PolarHBondContact O-N 3.14Å; E684-D687 PolarHBondContact O-N 2.75Å; V685-D687 VanDerWaalsContact C-N 3.34Å; D687-L689 PolarHBondContact O-N 2.66Å; D687-N690 PolarHBondContact O-N 2.89Å; D687-E691 WeakPolarHBondContact O-CG 3.33Å; D687-E691 PolarHBondContact O-N 2.7Å
688E92.5Very high86.4Confident60 Ų6055.3 Ų55.328%0.2827%0.273SS..Hα-helixtrans-60.3-43.3175.1-71.2-71.5162.600112.7V626 P656 L658 E684 V685 N690 E691 M692V626-E688 HydrophobicContact CG2-CB 3.87Å; P656-E688 HydrophobicContact CB-CB 4.26Å; P656-E688 HydrophobicContact CB-CG 4.39Å; P656-E688 WeakPolarHBondContact CB-OE2 3.21Å; P656-E688 HydrophobicContact CG-CB 4.31Å; P656-E688 WeakPolarHBondContact CG-OE2 3.21Å; L658-E688 HydrophobicContact CD1-CG 4.34Å; L658-E688 HydrophobicContact CD2-CG 4.42Å; E684-E688 WeakPolarHBondContact O-CG 3.39Å; E684-E688 PolarHBondContact O-N 3.04Å; V685-E688 PolarHBondContact O-N 2.89Å; E688-N690 VanDerWaalsContact C-N 3.3Å; E688-N690 PolarHBondContact O-N 3.5Å; E688-E691 PolarHBondContact O-N 3.32Å; E688-M692 WeakPolarHBondContact O-CG 3.31Å; E688-M692 PolarHBondContact O-N 2.8Å; E688-M692 VanDerWaalsContact O-N 3.13Å
689L90.7Very high85.5Confident0 Ų062.5 Ų62.50%031%0.307CS..Hα-helixtrans-63.4-36.1176.8-75.1166000112.4L587 F612 Q614 N624 V626 V685 S686 D687L587-L689 HydrophobicContact CD2-CD1 3.24Å; F612-L689 HydrophobicContact CB-CD1 4.41Å; Q614-L689 HydrophobicContact CB-CD1 4.05Å; Q614-L689 HydrophobicContact CB-CD2 4.38Å; N624-L689 VanDerWaalsContact C-CD2 3.44Å; N624-L689 HydrophobicContact CB-CD2 3.69Å; N624-L689 PolarHBondContact ND2-O 3.27Å; N624-L689 WeakPolarHBondContact O-CD2 3.44Å; V626-L689 HydrophobicContact CB-CD2 4.41Å; V626-L689 HydrophobicContact CB-CG 4.47Å; V626-L689 HydrophobicContact CG2-CD2 3.73Å; V626-L689 HydrophobicContact CG2-CG 3.65Å; V685-L689 HydrophobicContact CG1-CD1 3.78Å; V685-L689 HydrophobicContact CG1-CG 4.46Å; V685-L689 WeakPolarHBondContact O-CB 3.27Å; V685-L689 VanDerWaalsContact O-CG 3.31Å; V685-L689 WeakPolarHBondContact O-CG 3.45Å; V685-L689 PolarHBondContact O-N 3.41Å; S686-L689 PolarHBondContact O-N 2.99Å; D687-L689 PolarHBondContact O-N 2.66Å
690N88.1Confident84.9Confident65 Ų6560.5 Ų60.535%0.34830%0.297SS..Hα-helixtrans-70.6-38.8176.5-72.7-28.6000111.7S686 D687 E688 M692 N693S686-N690 WeakPolarHBondContact O-CB 3.5Å; S686-N690 PolarHBondContact O-N 2.97Å; S686-N690 PolarHBondContact O-ND2 3.14Å; S686-N690 VanDerWaalsContact O-ND2 3.1Å; D687-N690 PolarHBondContact O-N 2.89Å; E688-N690 VanDerWaalsContact C-N 3.3Å; E688-N690 PolarHBondContact O-N 3.5Å; N690-M692 VanDerWaalsContact C-N 3.27Å; N690-M692 PolarHBondContact O-N 2.88Å; N690-N693 WeakPolarHBondContact O-CB 3.2Å; N690-N693 PolarHBondContact O-N 3.23Å
691E87.5Confident84.5Confident128 Ų12861.7 Ų61.760%0.59830%0.3SS*.Hα-helixtrans-62.6-35.8175.3-72.4-170.217900112.1D687 E688 N693 N694D687-E691 WeakPolarHBondContact O-CG 3.33Å; D687-E691 PolarHBondContact O-N 2.7Å; E688-E691 PolarHBondContact O-N 3.32Å; E691-N693 PolarHBondContact O-N 3.17Å; E691-N694 PolarHBondContact O-N 3.29Å
692M84.5Confident84.2Confident4 Ų463.4 Ų63.42%0.0231%0.312CS..G310 helixtrans-66.4-19.6176.6-69.8179.288.300114.6N624 Y625 V626 L655 P656 E688 N690 N694 L695 L697N624-M692 HydrophobicContact CB-CB 4.06Å; N624-M692 HydrophobicContact CB-SD 4.3Å; Y625-M692 WeakPolarHBondContact O-CE 3.39Å; V626-M692 HydrophobicContact CG2-SD 4.45Å; L655-M692 HydrophobicContact CB-CE 4.46Å; L655-M692 HydrophobicContact CD2-CE 3.57Å; P656-M692 VanDerWaalsContact CD-CE 3.45Å; P656-M692 WeakPolarHBondContact CD-SD 3.44Å; P656-M692 HydrophobicContact CG-CE 4.38Å; P656-M692 HydrophobicContact CG-CG 3.95Å; P656-M692 HydrophobicContact CG-SD 3.57Å; P656-M692 VanDerWaalsContact CG-SD 3.57Å; E688-M692 WeakPolarHBondContact O-CG 3.31Å; E688-M692 PolarHBondContact O-N 2.8Å; E688-M692 VanDerWaalsContact O-N 3.13Å; N690-M692 VanDerWaalsContact C-N 3.27Å; N690-M692 PolarHBondContact O-N 2.88Å; M692-N694 PolarHBondContact O-N 3.04Å; M692-L695 PolarHBondContact O-N 3.04Å; M692-L697 HydrophobicContact CE-CD1 3.23Å; M692-L697 HydrophobicContact CE-CD2 4.19Å; M692-L697 HydrophobicContact CE-CG 4.33Å
693N77.1Confident84.1Confident9 Ų965.7 Ų65.75%0.04833%0.326CS..G310 helixtrans-56-25.5176.4-84.2-36.7000112C616 E617 Q618 N624 N690 E691 L695C616-N693 PolarHBondContact SG-OD1 3.21Å; E617-N693 PolarHBondContact N-OD1 3.41Å; Q618-N693 HydrophobicContact CG-CB 4.49Å; Q618-N693 PolarHBondContact NE2-O 2.91Å; Q618-N693 PolarHBondContact OE1-O 3.33Å; N624-N693 VanDerWaalsContact ND2-CG 3.34Å; N624-N693 PolarHBondContact ND2-N 3.16Å; N624-N693 PolarHBondContact ND2-OD1 3.12Å; N690-N693 WeakPolarHBondContact O-CB 3.2Å; N690-N693 PolarHBondContact O-N 3.23Å; E691-N693 PolarHBondContact O-N 3.17Å; N693-L695 VanDerWaalsContact C-N 3.32Å; N693-L695 PolarHBondContact O-N 2.86Å
694N72.9Confident83.9Confident121 Ų12164.8 Ų64.865%0.64733%0.331SS*.G310 helixtrans-84.40.7179.2-59.2-44000114.2Q618 E691 M692Q618-N694 PolarHBondContact NE2-OD1 3.13Å; E691-N694 PolarHBondContact O-N 3.29Å; M692-N694 PolarHBondContact O-N 3.04Å
695L73.8Confident83.6Confident92 Ų9260.3 Ų60.348%0.48231%0.31SS..SBendtrans-111.8131.8-173.2-63.8175.1000111.8M692 N693 L697M692-L695 PolarHBondContact O-N 3.04Å; N693-L695 VanDerWaalsContact C-N 3.32Å; N693-L695 PolarHBondContact O-N 2.86Å; L695-L697 HydrophobicContact CB-CG 4.34Å; L695-L697 PolarHBondContact O-N 2.92Å; L695-L697 VanDerWaalsContact O-N 3.12Å
696H70.1Confident83.2Confident143 Ų14363 Ų6366%0.66233%0.326SS*.  trans-81.491.6171.9-170.5-72.9000110.8K622K622-H696 PolarHBondContact NZ-NE2 2.85Å
697L71.9Confident82.8Confident17 Ų1763.3 Ų63.39%0.08933%0.326CS..PPolyproline II helixtrans-85.8146.8179.5-64.6158.7000112.1S654 L655 M692 L695S654-L697 WeakPolarHBondContact OG-CD2 3.47Å; L655-L697 HydrophobicContact CD2-CD1 4.45Å; L655-L697 HydrophobicContact CD2-CD2 4.23Å; M692-L697 HydrophobicContact CE-CD1 3.23Å; M692-L697 HydrophobicContact CE-CD2 4.19Å; M692-L697 HydrophobicContact CE-CG 4.33Å; L695-L697 HydrophobicContact CB-CG 4.34Å; L695-L697 PolarHBondContact O-N 2.92Å; L695-L697 VanDerWaalsContact O-N 3.12Å
698P72.1Confident81.9Confident45 Ų4561.5 Ų61.529%0.29232%0.32SS..PPolyproline II helixtrans-67.2160.4171.729.2-33.4000111.3Y597 P598 I700Y597-P698 HydrophobicContact CE1-CG 3.76Å; Y597-P698 HydrophobicContact CE2-CG 3.96Å; Y597-P698 WeakPolarHBondContact OH-CD 3.47Å; Y597-P698 VanDerWaalsContact OH-CG 3.29Å; Y597-P698 WeakPolarHBondContact OH-CG 3.3Å; P598-P698 HydrophobicContact CG-CB 3.93Å; P598-P698 HydrophobicContact CG-CG 4.44Å; P698-I700 PolarHBondContact O-N 3.37Å
699E73.7Confident80.3Confident152 Ų15261.3 Ų61.371%0.7133%0.325SS*.PPolyproline II helixtrans-66.6124.9171.5-169.6175.3177.200109.6P598P598-E699 WeakPolarHBondContact CD-O 3.48Å; P598-E699 VanDerWaalsContact CG-O 3.25Å; P598-E699 WeakPolarHBondContact CG-O 3.41Å
700I80.4Confident78.5Confident13 Ų1365.9 Ų65.97%0.06735%0.353CS..  trans-111132.4-177.410.3177.8000108.8I595 Y597 Y625 L655 P698I595-I700 HydrophobicContact CG2-CB 4.27Å; I595-I700 HydrophobicContact CG2-CG2 3.62Å; Y597-I700 HydrophobicContact CD2-CG2 3.61Å; Y597-I700 HydrophobicContact CE2-CG2 4.28Å; Y597-I700 HydrophobicContact CG-CG2 4.26Å; Y625-I700 HydrophobicContact CD2-CD1 3.21Å; Y625-I700 HydrophobicContact CD2-CG1 4.09Å; Y625-I700 HydrophobicContact CE2-CD1 3.51Å; Y625-I700 HydrophobicContact CE2-CG1 3.88Å; Y625-I700 HydrophobicContact CG-CD1 3.8Å; L655-I700 HydrophobicContact CD1-CD1 3.88Å; L655-I700 HydrophobicContact CD2-CD1 3.77Å; L655-I700 HydrophobicContact CG-CD1 4.43Å; P698-I700 PolarHBondContact O-N 3.37Å
701H86Confident76.5Confident106 Ų10669.1 Ų69.149%0.49137%0.366SS..EExtended strand (participates in β ladder)trans-96.2130.1174.7-60.1-59.1000110L596L596-H701 HydrophobicContact CB-CB 4.17Å; L596-H701 HydrophobicContact CD1-CB 4.35Å; L596-H701 PolarHBondContact N-O 2.57Å; L596-H701 PolarHBondContact O-N 3.23Å
702T88.9Confident74.1Confident49 Ų4970.2 Ų70.230%0.30138%0.375SS..EExtended strand (participates in β ladder)trans-113.9132.2179.460.50000109.7C594 I595 L611 Y625C594-T702 CarbonylContact O-C 3.46Å; C594-T702 VanDerWaalsContact O-CA 3.3Å; C594-T702 WeakPolarHBondContact O-CA 3.34Å; I595-T702 HydrophobicContact CG1-CG2 4.44Å; L611-T702 HydrophobicContact CD2-CG2 3.52Å; Y625-T702 HydrophobicContact CE1-CG2 4.2Å
703T90.9Very high71.7Confident49 Ų4978 Ų7830%0.30142%0.416SS..EExtended strand (participates in β ladder)trans-132.5153.7176.354.50000110.7N552 Q593 C594N552-T703 WeakPolarHBondContact CB-OG1 3.39Å; Q593-T703 CarbonylContact C-O 3.57Å; Q593-T703 PolarHBondContact OE1-O 2.61Å; C594-T703 PolarHBondContact N-O 2.84Å; C594-T703 PolarHBondContact O-N 2.86Å
704D89.9Confident69.7Low107 Ų10780.2 Ų80.257%0.57244%0.441SS*.EExtended strand (participates in β ladder)trans-65.8138172.6-68-24.9000110.4N552 Q593 V706N552-D704 PolarHBondContact ND2-O 3.15Å; Q593-D704 PolarHBondContact NE2-OD1 3.26Å; D704-V706 PolarHBondContact O-N 3.43Å
705L88.1Confident67.7Low2 Ų284.1 Ų84.11%0.0145%0.453CS..PPolyproline II helixtrans-67.5120.5166.5-173.479.4000109.3N552 I554 R567 F592 C594 L607 L707N552-L705 CarbonylContact O-C 3.5Å; I554-L705 HydrophobicContact CD1-CD1 4.04Å; I554-L705 HydrophobicContact CD1-CD2 3.83Å; I554-L705 HydrophobicContact CD1-CG 4.28Å; I554-L705 HydrophobicContact CG1-CD1 3.95Å; I554-L705 HydrophobicContact CG1-CG 4.43Å; R567-L705 PolarHBondContact NH2-O 3.18Å; F592-L705 HydrophobicContact CB-CB 4.48Å; F592-L705 HydrophobicContact CD1-CD2 3.75Å; F592-L705 HydrophobicContact CE1-CD2 4.32Å; F592-L705 WeakPolarHBondContact O-CB 3.29Å; F592-L705 PolarHBondContact O-N 3.16Å; C594-L705 WeakPolarHBondContact SG-CD1 3.43Å; L607-L705 HydrophobicContact CD1-CD1 4.31Å; L607-L705 HydrophobicContact CD1-CD2 3.83Å; L705-L707 HydrophobicContact CD2-CD2 3.65Å; L705-L707 HydrophobicContact CD2-CG 4.4Å; L705-L707 HydrophobicContact CG-CD2 4.08Å
706V86.4Confident65.7Low58 Ų5893.4 Ų93.435%0.35249%0.489SS..EExtended strand (participates in β ladder)trans-91.3121.4176.2179.30000108.9N552 E553 I554 D704N552-V706 PolarHBondContact O-N 2.9Å; E553-V706 HydrophobicContact CG-CB 3.97Å; E553-V706 HydrophobicContact CG-CG1 4.25Å; E553-V706 HydrophobicContact CG-CG2 4.43Å; I554-V706 PolarHBondContact N-O 3.06Å; D704-V706 PolarHBondContact O-N 3.43Å
707L80.9Confident65.5Low23 Ų2391 Ų9112%0.1248%0.481CS..EExtended strand (participates in β ladder)trans-104.7104.3179.9-61.6179.1000108.9I554 S560 M563 V564 L705 S709I554-L707 HydrophobicContact CB-CD2 4.38Å; I554-L707 HydrophobicContact CD1-CD2 3.81Å; I554-L707 HydrophobicContact CG1-CD2 4.28Å; S560-L707 VanDerWaalsContact OG-C 3.31Å; M563-L707 HydrophobicContact CB-CD1 3.91Å; M563-L707 HydrophobicContact CB-CD2 3.55Å; M563-L707 HydrophobicContact CB-CG 4.4Å; M563-L707 HydrophobicContact CG-CD2 4.34Å; V564-L707 HydrophobicContact CB-CD1 4.45Å; V564-L707 HydrophobicContact CG2-CB 4.12Å; V564-L707 HydrophobicContact CG2-CD1 3.72Å; L705-L707 HydrophobicContact CD2-CD2 3.65Å; L705-L707 HydrophobicContact CD2-CG 4.4Å; L705-L707 HydrophobicContact CG-CD2 4.08Å; L707-S709 PolarHBondContact O-N 2.73Å
708C74.2Confident65.1Low48 Ų4894.8 Ų94.832%0.32450%0.501SS..  trans-67.3103.7177.6-67.60000109.8S560S560-C708 WeakPolarHBondContact CB-O 3.39Å; S560-C708 VanDerWaalsContact OG-C 3.27Å; S560-C708 PolarHBondContact OG-N 2.9Å; S560-C708 VanDerWaalsContact OG-N 3.13Å; S560-C708 PolarHBondContact OG-O 2.99Å
709S59.1Low64.8Low56 Ų5697.6 Ų97.639%0.39251%0.513SS..  trans-91.1111.5171.564.70000109.5L707 E711 L712L707-S709 PolarHBondContact O-N 2.73Å; S709-E711 PolarHBondContact O-N 3.42Å; S709-E711 VanDerWaalsContact O-N 3.08Å; S709-L712 PolarHBondContact O-N 2.86Å
710T51.1Low64.2Low97 Ų9794.4 Ų94.460%0.59550%0.501SS*.G310 helixtrans-63-9.517139.50000113.4P557 L712 L713P557-T710 HydrophobicContact CB-CG2 4.13Å; T710-L712 PolarHBondContact O-N 3.5Å; T710-L713 PolarHBondContact O-N 3.14Å
711E47.1Very low63.2Low132 Ų13299.5 Ų99.562%0.61753%0.528SS*.G310 helixtrans-68.4-10.8177-72.1177-175.700113.9K561 S709K561-E711 IonicContact NZ-OE1 2.72Å; K561-E711 PolarHBondContact NZ-OE1 3.17Å; S709-E711 PolarHBondContact O-N 3.42Å; S709-E711 VanDerWaalsContact O-N 3.08Å
712L36.9Very low61.7Low151 Ų15199.1 Ų99.179%0.79153%0.531SS*.G310 helixtrans-86.7-8173.6-92.7156.7000115S709 T710S709-L712 PolarHBondContact O-N 2.86Å; T710-L712 PolarHBondContact O-N 3.5Å
713L35Very low59.8Low168 Ų168102.6 Ų102.688%0.8855%0.547SS*.SBendtrans-107.510.8-178.3-79.8163.7000114.7T710T710-L713 PolarHBondContact O-N 3.14Å
714G34.7Very low57.4Low55 Ų55106.8 Ų106.857%0.56757%0.566SS**SBendtrans-120.1-0.1-17200000118.1
715F31.3Very low54.7Low203 Ų203106.8 Ų106.889%0.8957%0.566SS**  trans-139.187177.7-73.6-81.5000110.8
716K31.3Very low51.6Low288 Ų288116.3 Ų116.3100%1.25262%0.616SS**  trans-113.60149.7-95.6-171.2176.6-179.80108

Retrieved 716 of 716 residues in 289.6 ms (Link to these results)

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