A0A3Q0KU05_SCHMA Loading...

N-terminal kinase-like protein

Regulates COPI-mediated retrograde protein traffic at the interface between the Golgi apparatus and the endoplasmic reticulum. Involved in the maintenance of the Golgi apparatus morphology.

AlphaFold DB , UniProt , Accession A0A3Q0KU05, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 888 aa.

						>A0A3Q0KU05_SCHMA|A0A3Q0KU05
MWLFTNRDSDSLLGSATSLGLNFSHDPVPGFSIDPPNSEPLGTIHGPYDFKWRILPGQKKKTKEEVTLFVCNLSSNAATREASTILSIFQSTVKWMKTLRHPNMLTWIGGSEIGSGKLPNEFGFVTERVLPLREYLRIKADCGNFNLISSWGIHQIAKALIFLNDDGKLAHNAVRLDSVFVTTAGEWKLGALDFVGPVNEPPPPIRQTAGFVDANTTDPYMPPDNRLVDSWGLGCLIWEIFNPSSILKDRSQLIESSYSKRIPKALIHDYRRLIAQSATKGGVKRFTVSQFLQSTRNSEKQGFLANDYVDTLLFLEEIELKDSMEKSTFLKNLATQITSFPDDVCRHKILPHLVNGLRYGSAGVEALLPVLRLIPLLSDSDFQTYVLPCLLKLFSSPERATRVRLLEHLPDFVQHLQTKCIETQIFGPVSAGFTDTHPVVREATVRAMIHLAPKLSTKLLNENLIKYITTLQSRDAQGGIRTNATVCLAKLASYFSTQTQQGPILGAFLRATRDSFLPNRQAAITALAATQEYYTNDLLAGKVLPCLSFLTTDTEKSIRDDTFRAIRGILDRLEHTSEHNTSNQMTNDSQTSSSDNPSRTVTSGASSASALTQWALSALSFSSRILPSSSTTTTTATTKSSDTDVESTSYPSLSLSASQRNKNSNGLERIEEKLCSNNISENSNKSAQLTSPKSSSKSTINHDKESNPWDLMNNNAADDDGDDDWNLDMNDVFEDIDDNKSTLNHNSENKNLLSESTATTLPPLTPSSYWDCQPQYDQETKNKLDLDWNSNEFFDSLTLNENPIEKRTNTKKSTVKSSQSSNIIKSLPSTNHSDYQSKKLSPEHVSTRTHSSVTDKPMKSSKGQQRELNKSNVVNNASNDDGDDWGDW
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	34.3	Very low	29	Very low	157 Å²	157	127.8 Å²	127.8	77%	0.773	65%	0.648	S	S	*	*				0	86	0	-83.2	173.7	-86.4	0	0	106.3	D141	M1-D141 PolarHBondContact N-OD1 3.39Å
2	W	27	Very low	28.8	Very low	192 Å²	192	129.5 Å²	129.5	73%	0.727	66%	0.659	S	S	*	*			trans	-103.6	128	-169.8	-110.6	60.2	0	0	0	110.9	T5 D141	W2-T5 HydrophobicContact CH2-CG2 4.33Å; W2-T5 HydrophobicContact CZ3-CG2 3.99Å; W2-D141 PolarHBondContact NE1-OD2 3.48Å
3	L	31.2	Very low	28.6	Very low	120 Å²	120	132.1 Å²	132.1	63%	0.628	67%	0.674	S	S	*	*			trans	171.8	39.2	149.4	-96.6	162.7	0	0	0	114.5
4	F	30.4	Very low	28.4	Very low	68 Å²	68	127 Å²	127	30%	0.298	67%	0.671	S	S	.	*			trans	-102.9	29.2	167.7	-72.4	-66.2	0	0	0	113.4	N6 R137 P243	F4-N6 VanDerWaalsContact C-N 3.33Å; F4-R137 HydrophobicContact CB-CG 3.47Å; F4-R137 VanDerWaalsContact CB-CG 3.47Å; F4-R137 HydrophobicContact CD2-CB 4.08Å; F4-R137 HydrophobicContact CD2-CG 3.76Å; F4-R137 HydrophobicContact CE2-CB 4.38Å; F4-R137 HydrophobicContact CG-CB 4.38Å; F4-R137 HydrophobicContact CG-CG 3.75Å; F4-P243 HydrophobicContact CE1-CB 4.27Å; F4-P243 HydrophobicContact CE2-CB 3.57Å; F4-P243 HydrophobicContact CE2-CG 4.45Å; F4-P243 HydrophobicContact CZ-CB 3.25Å; F4-P243 HydrophobicContact CZ-CG 4.48Å
5	T	28.6	Very low	28.2	Very low	91 Å²	91	124.8 Å²	124.8	56%	0.558	67%	0.67	S	S	*	*			trans	-84.5	-8.1	169.7	51.7	0	0	0	0	113.1	W2 R7	W2-T5 HydrophobicContact CH2-CG2 4.33Å; W2-T5 HydrophobicContact CZ3-CG2 3.99Å; T5-R7 VanDerWaalsContact C-N 3.29Å; T5-R7 PolarHBondContact O-N 3.46Å; T5-R7 VanDerWaalsContact O-N 3.09Å
6	N	28.7	Very low	28.1	Very low	130 Å²	130	122.6 Å²	122.6	70%	0.695	67%	0.674	S	S	*	*			trans	-87	79.7	168.9	-72.8	-4.9	0	0	0	108.7	F4 D8	F4-N6 VanDerWaalsContact C-N 3.33Å; N6-D8 PolarHBondContact O-N 2.88Å; N6-D8 VanDerWaalsContact O-N 3.1Å
7	R	29.5	Very low	28.1	Very low	193 Å²	193	124.4 Å²	124.4	73%	0.728	69%	0.689	S	S	*	*			trans	-50.8	113.5	144.4	-141.5	177.5	163.4	160	-0.6	103.6	T5 S9 E39	T5-R7 VanDerWaalsContact C-N 3.29Å; T5-R7 PolarHBondContact O-N 3.46Å; T5-R7 VanDerWaalsContact O-N 3.09Å; R7-S9 PolarHBondContact O-N 3.36Å; R7-E39 IonicContact CZ-OE2 2.85Å; R7-E39 IonicContact NH1-OE2 2.71Å; R7-E39 PolarHBondContact NH1-OE2 3.33Å; R7-E39 IonicContact NH2-OE1 3.26Å; R7-E39 IonicContact NH2-OE2 3.22Å; R7-E39 PolarHBondContact NH2-OE2 3.11Å
8	D	29.3	Very low	28.1	Very low	138 Å²	138	123 Å²	123	74%	0.738	69%	0.69	S	S	*	*			trans	-45.7	121.8	177.9	-79.7	-45.9	0	0	0	107.2	N6 D10	N6-D8 PolarHBondContact O-N 2.88Å; N6-D8 VanDerWaalsContact O-N 3.1Å; D8-D10 PolarHBondContact O-N 3.29Å
9	S	26	Very low	28.2	Very low	101 Å²	101	123.8 Å²	123.8	71%	0.706	69%	0.692	S	S	*	*			trans	-70.7	44.8	175	51.1	0	0	0	0	110.5	R7 S11	R7-S9 PolarHBondContact O-N 3.36Å; S9-S11 PolarHBondContact O-N 3.39Å; S9-S11 VanDerWaalsContact O-N 3.09Å
10	D	27.7	Very low	28.2	Very low	142 Å²	142	121.3 Å²	121.3	76%	0.759	70%	0.695	S	S	*	*			trans	-74.3	38.2	147.7	-76.9	-11.9	0	0	0	109.3	D8 L12	D8-D10 PolarHBondContact O-N 3.29Å; D10-L12 PolarHBondContact O-N 3.28Å
11	S	26.7	Very low	28.7	Very low	74 Å²	74	120.9 Å²	120.9	52%	0.517	69%	0.69	S	S	.	*			trans	-64.5	75.2	138	60.5	0	0	0	0	107.4	S9 L13	S9-S11 PolarHBondContact O-N 3.39Å; S9-S11 VanDerWaalsContact O-N 3.09Å; S11-L13 PolarHBondContact O-N 3.1Å
12	L	26.5	Very low	28.7	Very low	148 Å²	148	120.3 Å²	120.3	78%	0.775	69%	0.69	S	S	*	*			trans	-62.2	75.1	141.3	-86.6	160.9	0	0	0	106.4	D10 G14	D10-L12 PolarHBondContact O-N 3.28Å; L12-G14 PolarHBondContact O-N 2.95Å
13	L	26	Very low	29.5	Very low	163 Å²	163	115 Å²	115	85%	0.853	67%	0.672	S	S	*	*			trans	-59.4	83.1	159.8	-93.7	147.2	0	0	0	106.4	S11	S11-L13 PolarHBondContact O-N 3.1Å
14	G	25.5	Very low	30.3	Very low	61 Å²	61	114.8 Å²	114.8	63%	0.629	68%	0.681	S	S	*	*	S	Bend	trans	145.9	68.4	173.3	0	0	0	0	0	114.2	L12	L12-G14 PolarHBondContact O-N 2.95Å
15	S	25.4	Very low	31.6	Very low	94 Å²	94	118.8 Å²	118.8	66%	0.657	70%	0.7	S	S	*	*	S	Bend	trans	171.9	-11.5	138.4	50.4	0	0	0	0	115.4	T17	S15-T17 VanDerWaalsContact C-N 3.31Å; S15-T17 PolarHBondContact O-N 3.18Å
16	A	26.9	Very low	33.2	Very low	90 Å²	90	117.6 Å²	117.6	74%	0.744	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-80.3	-2.3	-174.9	0	0	0	0	0	115.7	S18	A16-S18 PolarHBondContact O-N 3.22Å
17	T	27.6	Very low	35.2	Very low	152 Å²	152	112.3 Å²	112.3	93%	0.933	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-76.3	5.1	174.6	45.1	0	0	0	0	114.2	S15	S15-T17 VanDerWaalsContact C-N 3.31Å; S15-T17 PolarHBondContact O-N 3.18Å
18	S	27.8	Very low	37.7	Very low	100 Å²	100	103.2 Å²	103.2	70%	0.699	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-116.1	8.4	178.6	79.7	0	0	0	0	116.3	A16	A16-S18 PolarHBondContact O-N 3.22Å
19	L	31.6	Very low	40.2	Very low	138 Å²	138	101.5 Å²	101.5	72%	0.723	63%	0.626	S	S	*	*			trans	-105	85.1	164.5	-66.1	-179.8	0	0	0	108.2	L21	L19-L21 HydrophobicContact CB-CG 4.47Å; L19-L21 PolarHBondContact O-N 3.34Å
20	G	27.8	Very low	43	Very low	74 Å²	74	98.6 Å²	98.6	76%	0.763	61%	0.612	S	S	*	*			trans	-63.3	66.6	167.9	0	0	0	0	0	111.5	N22	G20-N22 PolarHBondContact O-N 2.95Å
21	L	38.6	Very low	45.9	Very low	112 Å²	112	92.8 Å²	92.8	59%	0.586	58%	0.58	S	S	*	*			trans	-77.8	68	162.9	-59.8	-178.6	0	0	0	107	L19 F23	L19-L21 HydrophobicContact CB-CG 4.47Å; L19-L21 PolarHBondContact O-N 3.34Å; L21-F23 VanDerWaalsContact C-N 3.31Å; L21-F23 PolarHBondContact O-N 3.32Å
22	N	34.2	Very low	48.8	Very low	145 Å²	145	90.8 Å²	90.8	78%	0.775	57%	0.566	S	S	*	*			trans	-56.5	104.8	155.9	-95.7	-3.8	0	0	0	105.5	G20 S24	G20-N22 PolarHBondContact O-N 2.95Å; N22-S24 PolarHBondContact O-N 2.91Å
23	F	43.2	Very low	51.4	Low	80 Å²	80	85.4 Å²	85.4	35%	0.351	54%	0.537	S	S	.	.			trans	-66.6	77	163.4	-68.9	-80.5	0	0	0	106.8	L21 H25 E121	L21-F23 VanDerWaalsContact C-N 3.31Å; L21-F23 PolarHBondContact O-N 3.32Å; F23-H25 PolarHBondContact O-N 2.73Å; F23-E121 VanDerWaalsContact CE1-OE1 3.3Å; F23-E121 WeakPolarHBondContact CE1-OE1 3.5Å
24	S	47.5	Very low	53.5	Low	116 Å²	116	80.7 Å²	80.7	81%	0.811	51%	0.513	S	S	*	.			trans	-71.4	-11.2	172.8	81.7	0	0	0	0	111.2	N22	N22-S24 PolarHBondContact O-N 2.91Å
25	H	57.9	Low	55.4	Low	152 Å²	152	81.4 Å²	81.4	70%	0.704	51%	0.507	S	S	*	.	S	Bend	trans	-112.9	142.5	173	-105	-79.8	0	0	0	111.1	F23	F23-H25 PolarHBondContact O-N 2.73Å
26	D	63.5	Low	57.1	Low	67 Å²	67	82 Å²	82	36%	0.358	51%	0.508	S	S	.	.			trans	-61.1	133.9	168.6	-47.1	-72.5	0	0	0	109.5	V28 F31 K60	D26-V28 PolarHBondContact O-N 3.37Å; D26-F31 WeakPolarHBondContact CB-O 3.42Å; D26-K60 VanDerWaalsContact OD1-CE 3.32Å; D26-K60 WeakPolarHBondContact OD1-CE 3.49Å; D26-K60 IonicContact OD1-NZ 2.69Å; D26-K60 PolarHBondContact OD1-NZ 3.14Å; D26-K60 IonicContact OD2-NZ 3.61Å; D26-K60 PolarHBondContact OD2-NZ 3.14Å
27	P	69.2	Low	58.7	Low	18 Å²	18	85 Å²	85	12%	0.117	51%	0.512	C	S	.	.	S	Bend	trans	-66.1	-26.8	-178.3	27.1	-36.4	0	0	0	112.8	I33 L68 V70 S111	P27-I33 HydrophobicContact CG-CD1 4.1Å; P27-I33 HydrophobicContact CG-CG1 4.31Å; P27-L68 HydrophobicContact CG-CD2 3.78Å; P27-V70 HydrophobicContact CB-CG1 4.3Å; P27-V70 HydrophobicContact CB-CG2 3.99Å; P27-V70 HydrophobicContact CG-CG2 4.21Å; P27-S111 PolarHBondContact O-OG 3.03Å
28	V	82.1	Confident	60.6	Low	2 Å²	2	78.7 Å²	78.7	1%	0.012	47%	0.474	C	S	.	.	S	Bend	trans	-133.7	125.9	177.2	-173.5	0	0	0	0	109.7	D26 G30 F31 V125	D26-V28 PolarHBondContact O-N 3.37Å; V28-G30 PolarHBondContact O-N 2.86Å; V28-F31 HydrophobicContact CB-CD2 4.21Å; V28-F31 HydrophobicContact CG1-CD2 3.8Å; V28-F31 HydrophobicContact CG1-CE2 4.24Å; V28-F31 PolarHBondContact O-N 3.15Å; V28-V125 HydrophobicContact CB-CG2 4.09Å; V28-V125 HydrophobicContact CG1-CG2 3.97Å; V28-V125 HydrophobicContact CG2-CG2 4.13Å
29	P	82.1	Confident	62.8	Low	103 Å²	103	79.9 Å²	79.9	67%	0.669	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	132	179.8	-26.2	34.3	0	0	0	113.4	F31	P29-F31 WeakPolarHBondContact O-CD2 3.37Å
30	G	85.6	Confident	65.2	Low	40 Å²	40	76.1 Å²	76.1	41%	0.412	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	-4.7	178.3	0	0	0	0	0	115.4	V28 K60	V28-G30 PolarHBondContact O-N 2.86Å; G30-K60 WeakPolarHBondContact O-CB 3.32Å; G30-K60 WeakPolarHBondContact O-CG 3.13Å; G30-K60 PolarHBondContact O-N 3.23Å
31	F	89.1	Confident	67.8	Low	19 Å²	19	74.5 Å²	74.5	8%	0.083	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	151.6	178.2	-56.1	-87.1	0	0	0	110.4	D26 V28 P29 Q58 K59 K60 V66 I108 V125	D26-F31 WeakPolarHBondContact CB-O 3.42Å; V28-F31 HydrophobicContact CB-CD2 4.21Å; V28-F31 HydrophobicContact CG1-CD2 3.8Å; V28-F31 HydrophobicContact CG1-CE2 4.24Å; V28-F31 PolarHBondContact O-N 3.15Å; P29-F31 WeakPolarHBondContact O-CD2 3.37Å; F31-Q58 WeakPolarHBondContact CA-O 3.42Å; F31-K59 HydrophobicContact CD1-CB 4.13Å; F31-K59 HydrophobicContact CD1-CG 4.44Å; F31-K59 HydrophobicContact CE1-CB 4.1Å; F31-K59 HydrophobicContact CE1-CD 4.32Å; F31-K59 HydrophobicContact CE1-CG 4.11Å; F31-K60 WeakPolarHBondContact O-CE 3.06Å; F31-V66 HydrophobicContact CD1-CG2 4.02Å; F31-I108 HydrophobicContact CE1-CG2 4.05Å; F31-I108 HydrophobicContact CZ-CG2 3.92Å; F31-V125 HydrophobicContact CB-CG2 4.41Å; F31-V125 HydrophobicContact CD1-CB 4.47Å; F31-V125 HydrophobicContact CD1-CG1 3.85Å; F31-V125 HydrophobicContact CD1-CG2 4.2Å; F31-V125 HydrophobicContact CD2-CG2 3.7Å; F31-V125 HydrophobicContact CE1-CB 4.31Å; F31-V125 HydrophobicContact CE1-CG1 3.78Å; F31-V125 HydrophobicContact CE1-CG2 4.41Å; F31-V125 HydrophobicContact CE2-CB 4.39Å; F31-V125 HydrophobicContact CE2-CG2 3.94Å; F31-V125 HydrophobicContact CG-CG1 4.33Å; F31-V125 HydrophobicContact CG-CG2 3.84Å; F31-V125 HydrophobicContact CZ-CB 4.27Å; F31-V125 HydrophobicContact CZ-CG1 4.22Å; F31-V125 HydrophobicContact CZ-CG2 4.28Å
32	S	86.4	Confident	70	Confident	32 Å²	32	70.2 Å²	70.2	22%	0.224	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	149.4	175.1	45.7	0	0	0	0	110.3	G57 Q58	S32-G57 CarbonylContact O-C 3.58Å; S32-G57 WeakPolarHBondContact O-CA 3.35Å; S32-Q58 PolarHBondContact N-O 3.14Å; S32-Q58 PolarHBondContact O-N 2.8Å
33	I	81.4	Confident	72.4	Confident	35 Å²	35	66.5 Å²	66.5	18%	0.179	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	135.6	172.5	-58.5	168.2	0	0	0	108.3	P27 S38 L55 L68	P27-I33 HydrophobicContact CG-CD1 4.1Å; P27-I33 HydrophobicContact CG-CG1 4.31Å; I33-S38 WeakPolarHBondContact CG2-OG 3.3Å; I33-L55 HydrophobicContact CD1-CD1 4.17Å; I33-L68 HydrophobicContact CG1-CD2 4.22Å
34	D	69.5	Low	74.5	Confident	64 Å²	64	63.4 Å²	63.4	34%	0.342	38%	0.378	S	S	.	.	S	Bend	trans	-132.5	120.8	-179.2	-172.4	27.1	0	0	0	112.1	P56 Q58	D34-P56 PolarHBondContact N-O 3.42Å; D34-P56 WeakPolarHBondContact O-CB 3.42Å; D34-P56 WeakPolarHBondContact O-CG 3.04Å; D34-Q58 HydrophobicContact CB-CG 4.21Å; D34-Q58 PolarHBondContact OD2-NE2 3.44Å
35	P	65.8	Low	76.1	Confident	76 Å²	76	61.3 Å²	61.3	49%	0.494	36%	0.355	S	S	.	.	S	Bend	cis	-69.7	159.3	-10.3	28.6	-34.8	0	0	0	112.3	N37 S38	P35-N37 PolarHBondContact O-N 3.01Å; P35-S38 WeakPolarHBondContact O-CB 3.32Å; P35-S38 PolarHBondContact O-N 3.09Å
36	P	61.6	Low	77.1	Confident	107 Å²	107	54.2 Å²	54.2	70%	0.695	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	124.4	170.5	22	-30.6	0	0	0	109.5
37	N	60.5	Low	77.8	Confident	154 Å²	154	51 Å²	51	82%	0.824	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	27.6	-169.5	-53.8	-26.2	0	0	0	116.6	P35 E39	P35-N37 PolarHBondContact O-N 3.01Å; N37-E39 PolarHBondContact O-N 3.13Å
38	S	67.3	Low	78.3	Confident	18 Å²	18	52 Å²	52	13%	0.126	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-55.1	135.6	169.7	62.5	0	0	0	0	112.4	I33 P35 P56	I33-S38 WeakPolarHBondContact CG2-OG 3.3Å; P35-S38 WeakPolarHBondContact O-CB 3.32Å; P35-S38 PolarHBondContact O-N 3.09Å; S38-P56 WeakPolarHBondContact OG-CD 3.39Å; S38-P56 WeakPolarHBondContact OG-CG 3.08Å
39	E	75.2	Confident	78	Confident	126 Å²	126	55.8 Å²	55.8	59%	0.589	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-59.9	144.3	166.2	-71.5	-164.5	-176.6	0	0	110.2	R7 N37 L41	R7-E39 IonicContact CZ-OE2 2.85Å; R7-E39 IonicContact NH1-OE2 2.71Å; R7-E39 PolarHBondContact NH1-OE2 3.33Å; R7-E39 IonicContact NH2-OE1 3.26Å; R7-E39 IonicContact NH2-OE2 3.22Å; R7-E39 PolarHBondContact NH2-OE2 3.11Å; N37-E39 PolarHBondContact O-N 3.13Å; E39-L41 PolarHBondContact O-N 3.23Å
40	P	80.6	Confident	78	Confident	58 Å²	58	51.2 Å²	51.2	38%	0.377	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-58.1	134.5	172.7	-17.7	29	0	0	0	111	G42 I54 L55	P40-G42 PolarHBondContact O-N 3.25Å; P40-I54 CarbonylContact C-O 3.5Å; P40-I54 VanDerWaalsContact CA-O 3.26Å; P40-I54 WeakPolarHBondContact CA-O 3.44Å; P40-L55 HydrophobicContact CB-CD2 4.25Å; P40-L55 HydrophobicContact CG-CD2 4.21Å
41	L	83	Confident	78	Confident	41 Å²	41	55 Å²	55	22%	0.215	30%	0.303	C	S	.	.	S	Bend	trans	-65.8	-19.1	171.7	-53.6	172.3	0	0	0	111.6	E39 I54 P56 R128 L130	E39-L41 PolarHBondContact O-N 3.23Å; L41-I54 HydrophobicContact CB-CG2 4.32Å; L41-I54 PolarHBondContact N-O 3.31Å; L41-P56 HydrophobicContact CD1-CB 4.26Å; L41-P56 HydrophobicContact CD2-CG 4.46Å; L41-R128 VanDerWaalsContact CD1-NH1 3.32Å; L41-L130 HydrophobicContact CB-CD2 3.96Å; L41-L130 HydrophobicContact CD1-CD2 3.88Å; L41-L130 HydrophobicContact CD2-CD2 4.09Å; L41-L130 HydrophobicContact CG-CD2 4.17Å
42	G	84.1	Confident	78	Confident	21 Å²	21	54.6 Å²	54.6	22%	0.216	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.2	171.8	174.3	0	0	0	0	0	111.2	P40 I54	P40-G42 PolarHBondContact O-N 3.25Å; G42-I54 PolarHBondContact O-N 3.2Å
43	T	86.1	Confident	78.2	Confident	67 Å²	67	56.2 Å²	56.2	41%	0.411	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.7	170.9	-57.9	0	0	0	0	108.4	K51 W52	T43-K51 HydrophobicContact CG2-CB 3.86Å; T43-K51 HydrophobicContact CG2-CD 4.49Å; T43-K51 HydrophobicContact CG2-CG 4.32Å; T43-W52 VanDerWaalsContact CA-O 3.26Å; T43-W52 WeakPolarHBondContact CA-O 3.03Å
44	I	85.5	Confident	78.8	Confident	16 Å²	16	54.5 Å²	54.5	8%	0.082	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	147.1	173.3	63.7	178.3	0	0	0	109.6	W52 I54 F69 D177 F180	I44-W52 HydrophobicContact CD1-CB 4.15Å; I44-W52 HydrophobicContact CD1-CG 4.42Å; I44-W52 HydrophobicContact CG1-CB 3.48Å; I44-W52 VanDerWaalsContact CG1-CB 3.48Å; I44-W52 HydrophobicContact CG1-CG 4.03Å; I44-W52 PolarHBondContact N-O 3.11Å; I44-W52 PolarHBondContact O-N 3.21Å; I44-I54 HydrophobicContact CD1-CD1 4.3Å; I44-I54 HydrophobicContact CG1-CD1 4.3Å; I44-I54 HydrophobicContact CG2-CD1 3.86Å; I44-F69 HydrophobicContact CD1-CD1 4.24Å; I44-F69 HydrophobicContact CD1-CE1 4.13Å; I44-D177 HydrophobicContact CG2-CB 4.28Å; I44-F180 HydrophobicContact CD1-CE1 4.35Å; I44-F180 HydrophobicContact CD1-CZ 3.83Å
45	H	82	Confident	79.9	Confident	72 Å²	72	51.7 Å²	51.7	33%	0.333	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	120.6	-179.2	-69.1	-108.6	0	0	0	109.8	D49	H45-D49 IonicContact CE1-OD1 3.52Å; H45-D49 IonicContact CG-OD1 3.74Å; H45-D49 IonicContact ND1-OD1 2.7Å; H45-D49 PolarHBondContact ND1-OD1 3.31Å
46	G	78.9	Confident	81.1	Confident	2 Å²	2	48.7 Å²	48.7	2%	0.021	26%	0.258	C	S	.	.			trans	-91.7	-165.5	175.3	0	0	0	0	0	113.1	D49 F50	G46-D49 PolarHBondContact O-N 3.07Å; G46-F50 PolarHBondContact N-O 3.35Å
47	P	78	Confident	82.5	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-59.6	151.1	169.6	26	-32.8	0	0	0	110.7	D49 F50 I88 D193 F194	P47-D49 PolarHBondContact O-N 3.12Å; P47-F50 WeakPolarHBondContact O-CB 3.36Å; P47-F50 WeakPolarHBondContact O-CD2 3.14Å; P47-F50 WeakPolarHBondContact O-CG 3.12Å; P47-F50 PolarHBondContact O-N 3.38Å; P47-F50 VanDerWaalsContact O-N 3.16Å; P47-I88 HydrophobicContact CG-CG2 4.01Å; P47-D193 HydrophobicContact CG-CB 4.48Å; P47-F194 HydrophobicContact CB-CE1 4.22Å; P47-F194 HydrophobicContact CB-CZ 4.18Å
48	Y	79	Confident	84	Confident	39 Å²	39	38.3 Å²	38.3	15%	0.153	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	27.3	-175.6	-55.9	-84.4	0	0	0	115	F50 E81 I85 I88 I205 T208	Y48-F50 HydrophobicContact CD2-CE2 4.08Å; Y48-F50 HydrophobicContact CG-CE2 4.29Å; Y48-F50 PolarHBondContact O-N 3.26Å; Y48-E81 WeakPolarHBondContact CE1-OE2 3.22Å; Y48-E81 PolarHBondContact OH-OE2 2.64Å; Y48-I85 HydrophobicContact CD2-CD1 4.14Å; Y48-I85 HydrophobicContact CD2-CG1 3.68Å; Y48-I85 HydrophobicContact CE2-CD1 4.21Å; Y48-I85 HydrophobicContact CE2-CG1 3.46Å; Y48-I85 VanDerWaalsContact CE2-CG1 3.46Å; Y48-I85 HydrophobicContact CG-CD1 4.42Å; Y48-I85 HydrophobicContact CG-CG1 4.42Å; Y48-I88 HydrophobicContact CE2-CD1 3.76Å; Y48-I205 HydrophobicContact CE2-CD1 3.76Å; Y48-T208 WeakPolarHBondContact CA-O 3.23Å; Y48-T208 HydrophobicContact CD1-CG2 4.28Å; Y48-T208 HydrophobicContact CE1-CG2 3.78Å; Y48-T208 HydrophobicContact CE2-CG2 4.48Å; Y48-T208 PolarHBondContact N-O 2.98Å
49	D	75.5	Confident	85.1	Confident	81 Å²	81	40.6 Å²	40.6	43%	0.433	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	24.6	-176.4	-161.7	39.1	0	0	0	113.9	H45 G46 P47 K51	H45-D49 IonicContact CE1-OD1 3.52Å; H45-D49 IonicContact CG-OD1 3.74Å; H45-D49 IonicContact ND1-OD1 2.7Å; H45-D49 PolarHBondContact ND1-OD1 3.31Å; G46-D49 PolarHBondContact O-N 3.07Å; P47-D49 PolarHBondContact O-N 3.12Å; D49-K51 PolarHBondContact O-N 2.86Å
50	F	83.7	Confident	85.7	Confident	7 Å²	7	39.6 Å²	39.6	3%	0.031	20%	0.198	C	C	.	.			trans	-62.7	121.6	175.9	-77.6	-49.3	0	0	0	110.9	G46 P47 Y48 W52 L73 A78 I85 F89	G46-F50 PolarHBondContact N-O 3.35Å; P47-F50 WeakPolarHBondContact O-CB 3.36Å; P47-F50 WeakPolarHBondContact O-CD2 3.14Å; P47-F50 WeakPolarHBondContact O-CG 3.12Å; P47-F50 PolarHBondContact O-N 3.38Å; P47-F50 VanDerWaalsContact O-N 3.16Å; Y48-F50 HydrophobicContact CD2-CE2 4.08Å; Y48-F50 HydrophobicContact CG-CE2 4.29Å; Y48-F50 PolarHBondContact O-N 3.26Å; F50-W52 PolarHBondContact O-N 3.4Å; F50-L73 HydrophobicContact CD1-CD2 3.95Å; F50-L73 HydrophobicContact CD2-CD2 4.19Å; F50-L73 HydrophobicContact CE1-CD2 3.82Å; F50-L73 HydrophobicContact CE2-CD2 4.08Å; F50-L73 HydrophobicContact CG-CD2 4.16Å; F50-L73 HydrophobicContact CZ-CD2 3.9Å; F50-A78 HydrophobicContact CE1-CB 4.11Å; F50-A78 HydrophobicContact CZ-CB 3.67Å; F50-I85 HydrophobicContact CE2-CD1 4.04Å; F50-I85 HydrophobicContact CE2-CG1 4.21Å; F50-I85 HydrophobicContact CE2-CG2 3.79Å; F50-I85 HydrophobicContact CZ-CD1 4Å; F50-I85 HydrophobicContact CZ-CG2 4.24Å; F50-F89 HydrophobicContact CD2-CE2 4.01Å; F50-F89 HydrophobicContact CD2-CZ 4.13Å; F50-F89 HydrophobicContact CE2-CE2 4.17Å
51	K	85.2	Confident	86.1	Confident	121 Å²	121	46.3 Å²	46.3	53%	0.526	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	110.7	-179.5	-63.1	-172.8	-174.7	-170.9	0	110.5	T43 D49	T43-K51 HydrophobicContact CG2-CB 3.86Å; T43-K51 HydrophobicContact CG2-CD 4.49Å; T43-K51 HydrophobicContact CG2-CG 4.32Å; D49-K51 PolarHBondContact O-N 2.86Å
52	W	89.4	Confident	86.4	Confident	9 Å²	9	48.2 Å²	48.2	3%	0.034	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	117.5	171.2	-66.4	93.5	0	0	0	109.9	T43 I44 F50 F69 C71 F89 F122 F124	T43-W52 VanDerWaalsContact CA-O 3.26Å; T43-W52 WeakPolarHBondContact CA-O 3.03Å; I44-W52 HydrophobicContact CD1-CB 4.15Å; I44-W52 HydrophobicContact CD1-CG 4.42Å; I44-W52 HydrophobicContact CG1-CB 3.48Å; I44-W52 VanDerWaalsContact CG1-CB 3.48Å; I44-W52 HydrophobicContact CG1-CG 4.03Å; I44-W52 PolarHBondContact N-O 3.11Å; I44-W52 PolarHBondContact O-N 3.21Å; F50-W52 PolarHBondContact O-N 3.4Å; W52-F69 HydrophobicContact CE3-CB 3.96Å; W52-F69 HydrophobicContact CZ3-CB 4.28Å; W52-C71 HydrophobicContact CD2-CB 3.69Å; W52-C71 HydrophobicContact CE3-CB 3.5Å; W52-C71 HydrophobicContact CG-CB 4.33Å; W52-C71 HydrophobicContact CH2-CB 4.21Å; W52-C71 HydrophobicContact CZ2-CB 4.35Å; W52-C71 HydrophobicContact CZ3-CB 3.76Å; W52-F89 AromaticContact CH2-CD1 3.93Å; W52-F89 HydrophobicContact CH2-CD1 3.93Å; W52-F89 AromaticContact CH2-CE1 3.35Å; W52-F89 HydrophobicContact CH2-CE1 3.35Å; W52-F89 HydrophobicContact CH2-CZ 4.34Å; W52-F89 AromaticContact CZ2-CD1 3.96Å; W52-F89 HydrophobicContact CZ2-CD1 3.96Å; W52-F89 AromaticContact CZ2-CE1 3.2Å; W52-F89 HydrophobicContact CZ2-CE1 3.2Å; W52-F89 AromaticContact CZ2-CZ 3.81Å; W52-F89 HydrophobicContact CZ2-CZ 3.81Å; W52-F89 HydrophobicContact CZ3-CE1 4.47Å; W52-F122 AromaticContact CH2-CD1 3.52Å; W52-F122 HydrophobicContact CH2-CD1 3.52Å; W52-F122 AromaticContact CH2-CE1 3.77Å; W52-F122 HydrophobicContact CH2-CE1 3.77Å; W52-F122 AromaticContact CZ3-CD1 3.91Å; W52-F122 HydrophobicContact CZ3-CD1 3.91Å; W52-F122 HydrophobicContact CZ3-CE1 4.29Å; W52-F124 AromaticContact CE3-CE1 3.93Å; W52-F124 HydrophobicContact CE3-CE1 3.93Å; W52-F124 AromaticContact CH2-CD1 3.81Å; W52-F124 HydrophobicContact CH2-CD1 3.81Å; W52-F124 AromaticContact CH2-CE1 3.46Å; W52-F124 HydrophobicContact CH2-CE1 3.46Å; W52-F124 VanDerWaalsContact CH2-CE1 3.46Å; W52-F124 HydrophobicContact CZ2-CE1 4.23Å; W52-F124 AromaticContact CZ3-CD1 3.59Å; W52-F124 HydrophobicContact CZ3-CD1 3.59Å; W52-F124 AromaticContact CZ3-CE1 3.32Å; W52-F124 HydrophobicContact CZ3-CE1 3.32Å; W52-F124 HydrophobicContact CZ3-CZ 4.45Å
53	R	90.7	Very high	86.5	Confident	66 Å²	66	54.9 Å²	54.9	25%	0.249	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	128.7	171.2	-63.4	-179.9	-62.8	129	2.5	109	V70 E121	R53-V70 PolarHBondContact N-O 2.87Å; R53-V70 PolarHBondContact O-N 2.91Å; R53-E121 IonicContact NH2-OE1 3.58Å
54	I	93	Very high	86.7	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	115.5	-179.2	-57	177.2	0	0	0	107.5	P40 L41 G42 I44 T67 L68 F69 P131 F180	P40-I54 CarbonylContact C-O 3.5Å; P40-I54 VanDerWaalsContact CA-O 3.26Å; P40-I54 WeakPolarHBondContact CA-O 3.44Å; L41-I54 HydrophobicContact CB-CG2 4.32Å; L41-I54 PolarHBondContact N-O 3.31Å; G42-I54 PolarHBondContact O-N 3.2Å; I44-I54 HydrophobicContact CD1-CD1 4.3Å; I44-I54 HydrophobicContact CG1-CD1 4.3Å; I44-I54 HydrophobicContact CG2-CD1 3.86Å; I54-T67 HydrophobicContact CG2-CG2 3.33Å; I54-L68 CarbonylContact C-O 3.54Å; I54-L68 WeakPolarHBondContact CA-O 3.4Å; I54-F69 HydrophobicContact CD1-CD1 4.19Å; I54-F69 HydrophobicContact CD1-CE1 3.61Å; I54-F69 HydrophobicContact CD1-CZ 4.33Å; I54-F69 HydrophobicContact CG1-CD1 3.78Å; I54-F69 HydrophobicContact CG1-CE1 3.66Å; I54-F69 HydrophobicContact CG1-CZ 4.4Å; I54-F69 HydrophobicContact CG2-CE1 4.33Å; I54-F69 HydrophobicContact CG2-CZ 4.25Å; I54-P131 HydrophobicContact CD1-CG 3.57Å; I54-F180 HydrophobicContact CD1-CE1 3.79Å
55	L	92.2	Very high	87	Confident	5 Å²	5	60.7 Å²	60.7	3%	0.026	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	141.5	-170.8	-65.6	165.8	0	0	0	110.7	I33 P40 L68 V70	I33-L55 HydrophobicContact CD1-CD1 4.17Å; P40-L55 HydrophobicContact CB-CD2 4.25Å; P40-L55 HydrophobicContact CG-CD2 4.21Å; L55-L68 HydrophobicContact CB-CB 4.33Å; L55-L68 PolarHBondContact N-O 3.35Å; L55-L68 PolarHBondContact O-N 3.46Å; L55-V70 HydrophobicContact CD1-CG2 4.31Å
56	P	91.8	Very high	87.6	Confident	12 Å²	12	57.3 Å²	57.3	8%	0.078	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	142.5	167.5	32.3	-34	0	0	0	110.3	D34 S38 L41 R128	D34-P56 PolarHBondContact N-O 3.42Å; D34-P56 WeakPolarHBondContact O-CB 3.42Å; D34-P56 WeakPolarHBondContact O-CG 3.04Å; S38-P56 WeakPolarHBondContact OG-CD 3.39Å; S38-P56 WeakPolarHBondContact OG-CG 3.08Å; L41-P56 HydrophobicContact CD1-CB 4.26Å; L41-P56 HydrophobicContact CD2-CG 4.46Å; P56-R128 VanDerWaalsContact CA-NH1 3.3Å; P56-R128 VanDerWaalsContact CB-NH1 3.27Å
57	G	91.3	Very high	88.4	Confident	3 Å²	3	57.2 Å²	57.2	3%	0.031	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	-176.1	171.1	0	0	0	0	0	113.3	S32 V66	S32-G57 CarbonylContact O-C 3.58Å; S32-G57 WeakPolarHBondContact O-CA 3.35Å; G57-V66 PolarHBondContact N-O 3.31Å; G57-V66 WeakPolarHBondContact O-CG2 3.25Å; G57-V66 PolarHBondContact O-N 2.87Å; G57-V66 VanDerWaalsContact O-O 3.07Å
58	Q	91.6	Very high	89.1	Confident	41 Å²	41	57.2 Å²	57.2	19%	0.192	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	149.3	-177.8	-73.7	175.3	0.4	0	0	111.5	F31 S32 D34 K60 E64 E65	F31-Q58 WeakPolarHBondContact CA-O 3.42Å; S32-Q58 PolarHBondContact N-O 3.14Å; S32-Q58 PolarHBondContact O-N 2.8Å; D34-Q58 HydrophobicContact CB-CG 4.21Å; D34-Q58 PolarHBondContact OD2-NE2 3.44Å; Q58-K60 PolarHBondContact O-N 3.18Å; Q58-E64 CarbonylContact C-O 3.58Å; Q58-E64 WeakPolarHBondContact CA-O 3.38Å; Q58-E65 HydrophobicContact CG-CG 4.48Å
59	K	91.2	Very high	89.8	Confident	66 Å²	66	55.4 Å²	55.4	29%	0.287	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	119.8	170.8	-175.7	167.6	170.9	-173.7	0	109.7	F31 K61 T62 K63 E64	F31-K59 HydrophobicContact CD1-CB 4.13Å; F31-K59 HydrophobicContact CD1-CG 4.44Å; F31-K59 HydrophobicContact CE1-CB 4.1Å; F31-K59 HydrophobicContact CE1-CD 4.32Å; F31-K59 HydrophobicContact CE1-CG 4.11Å; K59-K61 PolarHBondContact O-N 3.1Å; K59-T62 WeakPolarHBondContact CD-OG1 3.4Å; K59-T62 PolarHBondContact O-N 3.33Å; K59-K63 VanDerWaalsContact O-CA 3.29Å; K59-K63 WeakPolarHBondContact O-CA 3.34Å; K59-K63 PolarHBondContact O-N 2.86Å; K59-E64 HydrophobicContact CB-CB 4.31Å; K59-E64 PolarHBondContact N-O 2.8Å
60	K	87.8	Confident	90.5	Very high	105 Å²	105	51.5 Å²	51.5	46%	0.457	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-33.7	-172.3	-69.9	-173.9	173.6	-164.8	0	114.4	D26 G30 F31 Q58	D26-K60 VanDerWaalsContact OD1-CE 3.32Å; D26-K60 WeakPolarHBondContact OD1-CE 3.49Å; D26-K60 IonicContact OD1-NZ 2.69Å; D26-K60 PolarHBondContact OD1-NZ 3.14Å; D26-K60 IonicContact OD2-NZ 3.61Å; D26-K60 PolarHBondContact OD2-NZ 3.14Å; G30-K60 WeakPolarHBondContact O-CB 3.32Å; G30-K60 WeakPolarHBondContact O-CG 3.13Å; G30-K60 PolarHBondContact O-N 3.23Å; F31-K60 WeakPolarHBondContact O-CE 3.06Å; Q58-K60 PolarHBondContact O-N 3.18Å
61	K	88.5	Confident	90.7	Very high	199 Å²	199	51.2 Å²	51.2	87%	0.865	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-41.4	-176.9	-67	-174.7	178.8	-179.5	0	113.5	K59	K59-K61 PolarHBondContact O-N 3.1Å
62	T	88.1	Confident	90.7	Very high	81 Å²	81	49.2 Å²	49.2	50%	0.497	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-11.3	-171.8	52.4	0	0	0	0	113.3	K59 E64	K59-T62 WeakPolarHBondContact CD-OG1 3.4Å; K59-T62 PolarHBondContact O-N 3.33Å; T62-E64 PolarHBondContact O-N 2.97Å; T62-E64 WeakPolarHBondContact OG1-CB 3.48Å
63	K	87.3	Confident	90.2	Very high	161 Å²	161	49 Å²	49	70%	0.7	23%	0.228	S	C	*	.			trans	54.9	22.1	-167.8	-59.3	-166.5	175.4	-169.1	0	114.1	K59	K59-K63 VanDerWaalsContact O-CA 3.29Å; K59-K63 WeakPolarHBondContact O-CA 3.34Å; K59-K63 PolarHBondContact O-N 2.86Å
64	E	90	Very high	89.4	Confident	100 Å²	100	49.1 Å²	49.1	47%	0.467	24%	0.239	S	C	.	.			trans	-68.6	131.6	175.3	-177.2	-177.3	-179.1	0	0	109.8	Q58 K59 T62	Q58-E64 CarbonylContact C-O 3.58Å; Q58-E64 WeakPolarHBondContact CA-O 3.38Å; K59-E64 HydrophobicContact CB-CB 4.31Å; K59-E64 PolarHBondContact N-O 2.8Å; T62-E64 PolarHBondContact O-N 2.97Å; T62-E64 WeakPolarHBondContact OG1-CB 3.48Å
65	E	91.8	Very high	88.2	Confident	105 Å²	105	51.4 Å²	51.4	49%	0.491	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	137	178	-60.6	-170.6	150.5	0	0	111.4	Q58 R128	Q58-E65 HydrophobicContact CG-CG 4.48Å; E65-R128 HydrophobicContact CB-CB 4.37Å; E65-R128 HydrophobicContact CB-CG 4.22Å
66	V	94.7	Very high	86.5	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	170.2	-178.1	-66.3	0	0	0	0	110.1	F31 G57 L68 I108 V125 T126	F31-V66 HydrophobicContact CD1-CG2 4.02Å; G57-V66 PolarHBondContact N-O 3.31Å; G57-V66 WeakPolarHBondContact O-CG2 3.25Å; G57-V66 PolarHBondContact O-N 2.87Å; G57-V66 VanDerWaalsContact O-O 3.07Å; V66-L68 HydrophobicContact CG2-CD1 3.83Å; V66-I108 HydrophobicContact CG1-CD1 3.8Å; V66-V125 HydrophobicContact CB-CG1 3.59Å; V66-V125 HydrophobicContact CG1-CG1 4.08Å; V66-V125 HydrophobicContact CG2-CG1 3.65Å; V66-T126 WeakPolarHBondContact CB-O 3.05Å
67	T	95	Very high	84.9	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.8	171.9	-65.1	0	0	0	0	109.8	I54 F69 V125 T126 V129	I54-T67 HydrophobicContact CG2-CG2 3.33Å; T67-F69 HydrophobicContact CG2-CD2 4.2Å; T67-F69 HydrophobicContact CG2-CE2 3.61Å; T67-F69 HydrophobicContact CG2-CZ 4.13Å; T67-V125 WeakPolarHBondContact O-CA 3.48Å; T67-T126 PolarHBondContact N-O 2.98Å; T67-T126 VanDerWaalsContact N-O 3.14Å; T67-T126 PolarHBondContact O-N 3.11Å; T67-V129 HydrophobicContact CG2-CG2 4.11Å; T67-V129 PolarHBondContact OG1-N 3.14Å; T67-V129 PolarHBondContact OG1-O 3.38Å
68	L	93.9	Very high	83.4	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	131.4	178.5	-74.3	72.9	0	0	0	109.4	P27 I33 I54 L55 V66 V70 F124 V125	P27-L68 HydrophobicContact CG-CD2 3.78Å; I33-L68 HydrophobicContact CG1-CD2 4.22Å; I54-L68 CarbonylContact C-O 3.54Å; I54-L68 WeakPolarHBondContact CA-O 3.4Å; L55-L68 HydrophobicContact CB-CB 4.33Å; L55-L68 PolarHBondContact N-O 3.35Å; L55-L68 PolarHBondContact O-N 3.46Å; V66-L68 HydrophobicContact CG2-CD1 3.83Å; L68-V70 HydrophobicContact CB-CG2 4.32Å; L68-F124 WeakPolarHBondContact CA-O 3.35Å; L68-V125 HydrophobicContact CG-CG2 4.12Å
69	F	93.5	Very high	82	Confident	1 Å²	1	63.5 Å²	63.5	0%	0.004	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	117.7	173.1	-69.6	-104.3	0	0	0	107.4	I44 W52 I54 T67 L105 G123 F124 T126 V129 F180	I44-F69 HydrophobicContact CD1-CD1 4.24Å; I44-F69 HydrophobicContact CD1-CE1 4.13Å; W52-F69 HydrophobicContact CE3-CB 3.96Å; W52-F69 HydrophobicContact CZ3-CB 4.28Å; I54-F69 HydrophobicContact CD1-CD1 4.19Å; I54-F69 HydrophobicContact CD1-CE1 3.61Å; I54-F69 HydrophobicContact CD1-CZ 4.33Å; I54-F69 HydrophobicContact CG1-CD1 3.78Å; I54-F69 HydrophobicContact CG1-CE1 3.66Å; I54-F69 HydrophobicContact CG1-CZ 4.4Å; I54-F69 HydrophobicContact CG2-CE1 4.33Å; I54-F69 HydrophobicContact CG2-CZ 4.25Å; T67-F69 HydrophobicContact CG2-CD2 4.2Å; T67-F69 HydrophobicContact CG2-CE2 3.61Å; T67-F69 HydrophobicContact CG2-CZ 4.13Å; F69-L105 HydrophobicContact CE2-CD2 4.41Å; F69-L105 HydrophobicContact CZ-CD2 4.13Å; F69-G123 CarbonylContact O-C 3.43Å; F69-G123 WeakPolarHBondContact O-CA 3.42Å; F69-F124 HydrophobicContact CB-CD1 3.92Å; F69-F124 HydrophobicContact CB-CD2 3.95Å; F69-F124 HydrophobicContact CB-CE1 3.55Å; F69-F124 HydrophobicContact CB-CE2 3.54Å; F69-F124 HydrophobicContact CB-CG 4.12Å; F69-F124 HydrophobicContact CB-CZ 3.35Å; F69-F124 HydrophobicContact CD1-CE2 4.12Å; F69-F124 AromaticContact CD1-CZ 3.8Å; F69-F124 HydrophobicContact CD1-CZ 3.8Å; F69-F124 AromaticContact CD2-CD2 3.97Å; F69-F124 HydrophobicContact CD2-CD2 3.97Å; F69-F124 AromaticContact CD2-CE2 3.37Å; F69-F124 HydrophobicContact CD2-CE2 3.37Å; F69-F124 AromaticContact CD2-CZ 3.91Å; F69-F124 HydrophobicContact CD2-CZ 3.91Å; F69-F124 HydrophobicContact CE2-CE2 4.08Å; F69-F124 HydrophobicContact CG-CD2 4.16Å; F69-F124 HydrophobicContact CG-CE1 4.14Å; F69-F124 AromaticContact CG-CE2 3.4Å; F69-F124 HydrophobicContact CG-CE2 3.4Å; F69-F124 AromaticContact CG-CZ 3.41Å; F69-F124 HydrophobicContact CG-CZ 3.41Å; F69-F124 VanDerWaalsContact CG-CZ 3.41Å; F69-F124 PolarHBondContact N-O 3.03Å; F69-F124 PolarHBondContact O-N 3.34Å; F69-T126 HydrophobicContact CD2-CG2 4.1Å; F69-T126 HydrophobicContact CE2-CG2 3.87Å; F69-T126 WeakPolarHBondContact CE2-OG1 3.48Å; F69-V129 HydrophobicContact CE2-CG2 4.42Å; F69-V129 HydrophobicContact CZ-CG2 4.25Å; F69-F180 HydrophobicContact CE1-CD1 4.3Å; F69-F180 AromaticContact CE1-CE1 3.61Å; F69-F180 HydrophobicContact CE1-CE1 3.61Å; F69-F180 AromaticContact CE1-CZ 3.88Å; F69-F180 HydrophobicContact CE1-CZ 3.88Å; F69-F180 HydrophobicContact CZ-CD1 4.02Å; F69-F180 AromaticContact CZ-CE1 3.8Å; F69-F180 HydrophobicContact CZ-CE1 3.8Å; F69-F180 HydrophobicContact CZ-CZ 4.26Å
70	V	90.4	Very high	80.8	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	126.5	-173.3	-173.7	0	0	0	0	110.2	P27 R53 L55 L68 E121	P27-V70 HydrophobicContact CB-CG1 4.3Å; P27-V70 HydrophobicContact CB-CG2 3.99Å; P27-V70 HydrophobicContact CG-CG2 4.21Å; R53-V70 PolarHBondContact N-O 2.87Å; R53-V70 PolarHBondContact O-N 2.91Å; L55-V70 HydrophobicContact CD1-CG2 4.31Å; L68-V70 HydrophobicContact CB-CG2 4.32Å; V70-E121 HydrophobicContact CG1-CG 3.77Å; V70-E121 WeakPolarHBondContact CG1-OE1 3.35Å
71	C	87.8	Confident	80.2	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.5	-178.1	178.4	0	0	0	0	110.8	W52 E121 F122	W52-C71 HydrophobicContact CD2-CB 3.69Å; W52-C71 HydrophobicContact CE3-CB 3.5Å; W52-C71 HydrophobicContact CG-CB 4.33Å; W52-C71 HydrophobicContact CH2-CB 4.21Å; W52-C71 HydrophobicContact CZ2-CB 4.35Å; W52-C71 HydrophobicContact CZ3-CB 3.76Å; C71-E121 WeakPolarHBondContact O-CA 3.34Å; C71-F122 PolarHBondContact N-O 3.36Å; C71-F122 PolarHBondContact O-N 3.28Å
72	N	85	Confident	79.7	Confident	80 Å²	80	62.4 Å²	62.4	43%	0.428	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	127.4	170.6	-169.7	-51.4	0	0	0	109.6	S74 N120	N72-S74 WeakPolarHBondContact OD1-CB 3.46Å; N72-S74 PolarHBondContact OD1-N 2.94Å; N72-S74 PolarHBondContact OD1-OG 3.38Å; N72-N120 PolarHBondContact OD1-O 3Å
73	L	79.4	Confident	79.4	Confident	4 Å²	4	62.9 Å²	62.9	2%	0.021	34%	0.335	C	S	.	.			trans	-106.7	4.8	-174.9	-59.3	173.9	0	0	0	112.8	F50 S75 A78 F89 L118 P119 N120 F122	F50-L73 HydrophobicContact CD1-CD2 3.95Å; F50-L73 HydrophobicContact CD2-CD2 4.19Å; F50-L73 HydrophobicContact CE1-CD2 3.82Å; F50-L73 HydrophobicContact CE2-CD2 4.08Å; F50-L73 HydrophobicContact CG-CD2 4.16Å; F50-L73 HydrophobicContact CZ-CD2 3.9Å; L73-S75 PolarHBondContact O-N 2.98Å; L73-A78 VanDerWaalsContact O-CB 3.31Å; L73-A78 WeakPolarHBondContact O-CB 3.49Å; L73-F89 HydrophobicContact CD2-CE1 4.17Å; L73-F89 HydrophobicContact CD2-CE2 3.95Å; L73-F89 HydrophobicContact CD2-CZ 3.51Å; L73-L118 HydrophobicContact CB-CD2 4.07Å; L73-L118 HydrophobicContact CB-CG 4.2Å; L73-L118 HydrophobicContact CD1-CD1 3.95Å; L73-L118 HydrophobicContact CD1-CG 4.18Å; L73-P119 WeakPolarHBondContact CB-O 3.46Å; L73-P119 HydrophobicContact CD1-CG 4.08Å; L73-P119 WeakPolarHBondContact CD1-O 3.41Å; L73-N120 PolarHBondContact N-O 3.36Å; L73-F122 HydrophobicContact CD1-CB 3.72Å; L73-F122 HydrophobicContact CG-CB 4.47Å
74	S	72.8	Confident	79.2	Confident	69 Å²	69	58 Å²	58	48%	0.483	32%	0.318	S	S	.	.			trans	-74	16.5	-173.8	-48.1	0	0	0	0	114.1	N72 N120	N72-S74 WeakPolarHBondContact OD1-CB 3.46Å; N72-S74 PolarHBondContact OD1-N 2.94Å; N72-S74 PolarHBondContact OD1-OG 3.38Å; S74-N120 PolarHBondContact OG-O 2.92Å
75	S	67.3	Low	78.9	Confident	47 Å²	47	53.2 Å²	53.2	33%	0.329	30%	0.296	S	S	.	.			trans	-77.7	145.4	-177.1	77.4	0	0	0	0	111.6	L73 A77 A78 T79	L73-S75 PolarHBondContact O-N 2.98Å; S75-A77 PolarHBondContact O-N 3.25Å; S75-A78 WeakPolarHBondContact O-CB 3.15Å; S75-A78 PolarHBondContact O-N 3.41Å; S75-T79 PolarHBondContact O-OG1 3.35Å
76	N	56.7	Low	78.6	Confident	149 Å²	149	48.8 Å²	48.8	80%	0.797	28%	0.275	S	S	*	.	H	α-helix	trans	-60.5	-30.6	-179.7	-83.7	-20	0	0	0	113.6	A78 T79	N76-A78 VanDerWaalsContact C-N 3.26Å; N76-A78 PolarHBondContact O-N 2.97Å; N76-T79 PolarHBondContact O-N 3.28Å; N76-T79 PolarHBondContact O-OG1 3.43Å
77	A	59.1	Low	78.2	Confident	62 Å²	62	51.6 Å²	51.6	51%	0.512	30%	0.295	S	S	.	.	H	α-helix	trans	-64.3	-35.2	174.7	0	0	0	0	0	111.1	S75 T79	S75-A77 PolarHBondContact O-N 3.25Å; A77-T79 VanDerWaalsContact C-N 3.27Å; A77-T79 PolarHBondContact O-N 3.48Å
78	A	59.5	Low	77.8	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.008	30%	0.298	C	S	.	.	H	α-helix	trans	-65.4	-30.8	-178.5	0	0	0	0	0	113.3	F50 L73 S75 N76 R80 A82 I85 L118	F50-A78 HydrophobicContact CE1-CB 4.11Å; F50-A78 HydrophobicContact CZ-CB 3.67Å; L73-A78 VanDerWaalsContact O-CB 3.31Å; L73-A78 WeakPolarHBondContact O-CB 3.49Å; S75-A78 WeakPolarHBondContact O-CB 3.15Å; S75-A78 PolarHBondContact O-N 3.41Å; N76-A78 VanDerWaalsContact C-N 3.26Å; N76-A78 PolarHBondContact O-N 2.97Å; A78-R80 VanDerWaalsContact C-N 3.35Å; A78-R80 PolarHBondContact O-N 3.33Å; A78-A82 VanDerWaalsContact O-CA 3.27Å; A78-A82 WeakPolarHBondContact O-CA 3.28Å; A78-A82 PolarHBondContact O-N 3.2Å; A78-A82 VanDerWaalsContact O-N 3.07Å; A78-I85 HydrophobicContact CB-CD1 3.85Å; A78-L118 HydrophobicContact CB-CD2 3.71Å
79	T	62.1	Low	77.4	Confident	104 Å²	104	52.4 Å²	52.4	64%	0.638	30%	0.299	S	S	*	.	H	α-helix	trans	-70.6	-29.7	-173.8	-22	0	0	0	0	112.9	S75 N76 A77	S75-T79 PolarHBondContact O-OG1 3.35Å; N76-T79 PolarHBondContact O-N 3.28Å; N76-T79 PolarHBondContact O-OG1 3.43Å; A77-T79 VanDerWaalsContact C-N 3.27Å; A77-T79 PolarHBondContact O-N 3.48Å
80	R	65.6	Low	77.2	Confident	231 Å²	231	55.7 Å²	55.7	87%	0.872	31%	0.314	S	S	*	.	H	α-helix	trans	-78.6	-31.4	-178	-68.3	-177.2	68.7	171.7	-0.6	112.9	A78	A78-R80 VanDerWaalsContact C-N 3.35Å; A78-R80 PolarHBondContact O-N 3.33Å
81	E	75.8	Confident	77.2	Confident	89 Å²	89	58 Å²	58	42%	0.416	33%	0.33	S	S	.	.	S	Bend	trans	-117.7	27	-176.5	-62.5	-174.9	-164	0	0	111.9	Y48 S83 T84 I85	Y48-E81 WeakPolarHBondContact CE1-OE2 3.22Å; Y48-E81 PolarHBondContact OH-OE2 2.64Å; E81-S83 PolarHBondContact O-N 2.87Å; E81-S83 VanDerWaalsContact O-N 3.1Å; E81-T84 WeakPolarHBondContact O-CB 3.33Å; E81-T84 PolarHBondContact O-N 3.45Å; E81-I85 HydrophobicContact CB-CD1 4.44Å; E81-I85 PolarHBondContact O-N 2.85Å
82	A	78.5	Confident	77.3	Confident	27 Å²	27	58.5 Å²	58.5	22%	0.223	33%	0.333	C	S	.	.	H	α-helix	trans	-53.3	-37.8	-172.5	0	0	0	0	0	113.4	A78 I85 L86 L118	A78-A82 VanDerWaalsContact O-CA 3.27Å; A78-A82 WeakPolarHBondContact O-CA 3.28Å; A78-A82 PolarHBondContact O-N 3.2Å; A78-A82 VanDerWaalsContact O-N 3.07Å; A82-I85 PolarHBondContact O-N 3.41Å; A82-L86 WeakPolarHBondContact O-CB 3.27Å; A82-L86 VanDerWaalsContact O-CG 3.24Å; A82-L86 WeakPolarHBondContact O-CG 3.43Å; A82-L86 PolarHBondContact O-N 2.79Å; A82-L118 HydrophobicContact CB-CB 4.32Å
83	S	81.2	Confident	77.6	Confident	91 Å²	91	55.3 Å²	55.3	64%	0.636	32%	0.317	S	S	*	.	H	α-helix	trans	-66.4	-40.1	177.2	54.1	0	0	0	0	113	E81 S87	E81-S83 PolarHBondContact O-N 2.87Å; E81-S83 VanDerWaalsContact O-N 3.1Å; S83-S87 PolarHBondContact O-N 3.12Å
84	T	83.8	Confident	78.3	Confident	57 Å²	57	61 Å²	61	35%	0.35	34%	0.342	S	S	.	.	H	α-helix	trans	-70.1	-41.5	177.5	-51.6	0	0	0	0	110.1	E81 S87 I88 I205	E81-T84 WeakPolarHBondContact O-CB 3.33Å; E81-T84 PolarHBondContact O-N 3.45Å; T84-S87 PolarHBondContact O-N 2.78Å; T84-S87 PolarHBondContact O-OG 3.44Å; T84-I88 HydrophobicContact CG2-CD1 4.21Å; T84-I88 VanDerWaalsContact O-CD1 3.28Å; T84-I88 WeakPolarHBondContact O-CD1 3.5Å; T84-I88 WeakPolarHBondContact O-CG1 3.38Å; T84-I88 PolarHBondContact O-N 3.04Å; T84-I205 HydrophobicContact CG2-CD1 4.42Å
85	I	83.9	Confident	79.3	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-61.2	-48.5	174.9	-67.3	164	0	0	0	110.4	Y48 F50 A78 E81 A82 S87 I88 F89 L118	Y48-I85 HydrophobicContact CD2-CD1 4.14Å; Y48-I85 HydrophobicContact CD2-CG1 3.68Å; Y48-I85 HydrophobicContact CE2-CD1 4.21Å; Y48-I85 HydrophobicContact CE2-CG1 3.46Å; Y48-I85 VanDerWaalsContact CE2-CG1 3.46Å; Y48-I85 HydrophobicContact CG-CD1 4.42Å; Y48-I85 HydrophobicContact CG-CG1 4.42Å; F50-I85 HydrophobicContact CE2-CD1 4.04Å; F50-I85 HydrophobicContact CE2-CG1 4.21Å; F50-I85 HydrophobicContact CE2-CG2 3.79Å; F50-I85 HydrophobicContact CZ-CD1 4Å; F50-I85 HydrophobicContact CZ-CG2 4.24Å; A78-I85 HydrophobicContact CB-CD1 3.85Å; E81-I85 HydrophobicContact CB-CD1 4.44Å; E81-I85 PolarHBondContact O-N 2.85Å; A82-I85 PolarHBondContact O-N 3.41Å; I85-S87 VanDerWaalsContact C-N 3.31Å; I85-S87 PolarHBondContact O-N 2.77Å; I85-I88 PolarHBondContact O-N 3.27Å; I85-F89 HydrophobicContact CG2-CD2 3.78Å; I85-F89 HydrophobicContact CG2-CE2 3.69Å; I85-F89 VanDerWaalsContact O-CD2 3.28Å; I85-F89 WeakPolarHBondContact O-CD2 3.29Å; I85-F89 PolarHBondContact O-N 2.98Å; I85-L118 HydrophobicContact CB-CD1 4.33Å; I85-L118 HydrophobicContact CG2-CD1 3.68Å; I85-L118 HydrophobicContact CG2-CD2 4.39Å
86	L	85.3	Confident	80.5	Confident	13 Å²	13	58.3 Å²	58.3	7%	0.068	31%	0.314	C	S	.	.	H	α-helix	trans	-56.9	-44	176.4	-78.4	168.7	0	0	0	112.5	A82 I88 F89 Q90 I113 G116 L118	A82-L86 WeakPolarHBondContact O-CB 3.27Å; A82-L86 VanDerWaalsContact O-CG 3.24Å; A82-L86 WeakPolarHBondContact O-CG 3.43Å; A82-L86 PolarHBondContact O-N 2.79Å; L86-I88 VanDerWaalsContact C-N 3.32Å; L86-I88 PolarHBondContact O-N 3Å; L86-F89 PolarHBondContact O-N 3.12Å; L86-Q90 VanDerWaalsContact O-CB 3.32Å; L86-Q90 WeakPolarHBondContact O-CB 3.35Å; L86-Q90 WeakPolarHBondContact O-CG 3.43Å; L86-Q90 PolarHBondContact O-N 3.23Å; L86-I113 HydrophobicContact CD2-CD1 3.91Å; L86-I113 HydrophobicContact CD2-CG1 3.82Å; L86-G116 WeakPolarHBondContact CD1-O 3.2Å; L86-L118 HydrophobicContact CD2-CD1 3.79Å; L86-L118 HydrophobicContact CG-CD1 3.8Å
87	S	85.8	Confident	82.2	Confident	59 Å²	59	56.1 Å²	56.1	41%	0.413	30%	0.298	S	S	.	.	H	α-helix	trans	-66.5	-33.7	179.8	70.5	0	0	0	0	112.6	S83 T84 I85 S91	S83-S87 PolarHBondContact O-N 3.12Å; T84-S87 PolarHBondContact O-N 2.78Å; T84-S87 PolarHBondContact O-OG 3.44Å; I85-S87 VanDerWaalsContact C-N 3.31Å; I85-S87 PolarHBondContact O-N 2.77Å; S87-S91 VanDerWaalsContact O-CB 3.31Å; S87-S91 WeakPolarHBondContact O-CB 3.44Å; S87-S91 PolarHBondContact O-N 2.66Å
88	I	86.1	Confident	83.9	Confident	13 Å²	13	56.7 Å²	56.7	7%	0.067	30%	0.295	C	S	.	.	H	α-helix	trans	-64.8	-54.4	174.1	-64.4	155.6	0	0	0	110.4	P47 Y48 T84 I85 L86 Q90 S91 T92 I205	P47-I88 HydrophobicContact CG-CG2 4.01Å; Y48-I88 HydrophobicContact CE2-CD1 3.76Å; T84-I88 HydrophobicContact CG2-CD1 4.21Å; T84-I88 VanDerWaalsContact O-CD1 3.28Å; T84-I88 WeakPolarHBondContact O-CD1 3.5Å; T84-I88 WeakPolarHBondContact O-CG1 3.38Å; T84-I88 PolarHBondContact O-N 3.04Å; I85-I88 PolarHBondContact O-N 3.27Å; L86-I88 VanDerWaalsContact C-N 3.32Å; L86-I88 PolarHBondContact O-N 3Å; I88-Q90 VanDerWaalsContact C-N 3.25Å; I88-Q90 PolarHBondContact O-N 3.2Å; I88-S91 CarbonylContact O-C 3.54Å; I88-S91 WeakPolarHBondContact O-CA 3.39Å; I88-S91 WeakPolarHBondContact O-CB 3.36Å; I88-S91 PolarHBondContact O-N 2.86Å; I88-T92 PolarHBondContact O-N 3.09Å; I88-T92 PolarHBondContact O-OG1 3.46Å; I88-I205 HydrophobicContact CD1-CD1 3.35Å; I88-I205 HydrophobicContact CD1-CG1 3.36Å; I88-I205 HydrophobicContact CG1-CD1 4.34Å; I88-I205 HydrophobicContact CG1-CG1 3.91Å
89	F	86.8	Confident	85.5	Confident	4 Å²	4	57.7 Å²	57.7	2%	0.018	30%	0.3	C	S	.	.	H	α-helix	trans	-61.7	-36.6	-179.6	-81.3	-103.4	0	0	0	111.3	F50 W52 L73 I85 L86 V93 I113 F122	F50-F89 HydrophobicContact CD2-CE2 4.01Å; F50-F89 HydrophobicContact CD2-CZ 4.13Å; F50-F89 HydrophobicContact CE2-CE2 4.17Å; W52-F89 AromaticContact CH2-CD1 3.93Å; W52-F89 HydrophobicContact CH2-CD1 3.93Å; W52-F89 AromaticContact CH2-CE1 3.35Å; W52-F89 HydrophobicContact CH2-CE1 3.35Å; W52-F89 HydrophobicContact CH2-CZ 4.34Å; W52-F89 AromaticContact CZ2-CD1 3.96Å; W52-F89 HydrophobicContact CZ2-CD1 3.96Å; W52-F89 AromaticContact CZ2-CE1 3.2Å; W52-F89 HydrophobicContact CZ2-CE1 3.2Å; W52-F89 AromaticContact CZ2-CZ 3.81Å; W52-F89 HydrophobicContact CZ2-CZ 3.81Å; W52-F89 HydrophobicContact CZ3-CE1 4.47Å; L73-F89 HydrophobicContact CD2-CE1 4.17Å; L73-F89 HydrophobicContact CD2-CE2 3.95Å; L73-F89 HydrophobicContact CD2-CZ 3.51Å; I85-F89 HydrophobicContact CG2-CD2 3.78Å; I85-F89 HydrophobicContact CG2-CE2 3.69Å; I85-F89 VanDerWaalsContact O-CD2 3.28Å; I85-F89 WeakPolarHBondContact O-CD2 3.29Å; I85-F89 PolarHBondContact O-N 2.98Å; L86-F89 PolarHBondContact O-N 3.12Å; F89-V93 VanDerWaalsContact O-CB 3.32Å; F89-V93 WeakPolarHBondContact O-CB 3.39Å; F89-V93 WeakPolarHBondContact O-CG2 3.41Å; F89-V93 PolarHBondContact O-N 3.23Å; F89-I113 HydrophobicContact CB-CD1 3.27Å; F89-I113 HydrophobicContact CG-CD1 4.26Å; F89-F122 AromaticContact CD1-CD1 3.49Å; F89-F122 HydrophobicContact CD1-CD1 3.49Å; F89-F122 VanDerWaalsContact CD1-CD1 3.49Å; F89-F122 AromaticContact CD1-CE1 3.76Å; F89-F122 HydrophobicContact CD1-CE1 3.76Å; F89-F122 HydrophobicContact CD1-CG 4.1Å; F89-F122 HydrophobicContact CE1-CB 4.48Å; F89-F122 AromaticContact CE1-CD1 3.69Å; F89-F122 HydrophobicContact CE1-CD1 3.69Å; F89-F122 HydrophobicContact CE1-CE1 4.32Å; F89-F122 HydrophobicContact CE1-CG 4.33Å
90	Q	89.4	Confident	87	Confident	70 Å²	70	59.2 Å²	59.2	33%	0.327	29%	0.294	S	S	.	.	H	α-helix	trans	-61.2	-43.5	171.5	-76.6	169	-2.2	0	0	112	L86 I88 K94 I113 G114	L86-Q90 VanDerWaalsContact O-CB 3.32Å; L86-Q90 WeakPolarHBondContact O-CB 3.35Å; L86-Q90 WeakPolarHBondContact O-CG 3.43Å; L86-Q90 PolarHBondContact O-N 3.23Å; I88-Q90 VanDerWaalsContact C-N 3.25Å; I88-Q90 PolarHBondContact O-N 3.2Å; Q90-K94 WeakPolarHBondContact O-CB 3.34Å; Q90-K94 PolarHBondContact O-N 3.45Å; Q90-I113 HydrophobicContact CG-CD1 4.27Å; Q90-I113 HydrophobicContact CG-CG1 4.1Å; Q90-I113 HydrophobicContact CG-CG2 3.74Å; Q90-G114 PolarHBondContact NE2-O 3.39Å
91	S	89.8	Confident	88.5	Confident	48 Å²	48	50 Å²	50	34%	0.336	26%	0.26	S	S	.	.	H	α-helix	trans	-64.7	-48.5	176.2	-170.8	0	0	0	0	111.9	S87 I88 V93 K94 W95	S87-S91 VanDerWaalsContact O-CB 3.31Å; S87-S91 WeakPolarHBondContact O-CB 3.44Å; S87-S91 PolarHBondContact O-N 2.66Å; I88-S91 CarbonylContact O-C 3.54Å; I88-S91 WeakPolarHBondContact O-CA 3.39Å; I88-S91 WeakPolarHBondContact O-CB 3.36Å; I88-S91 PolarHBondContact O-N 2.86Å; S91-V93 VanDerWaalsContact C-N 3.35Å; S91-V93 PolarHBondContact O-N 2.85Å; S91-K94 WeakPolarHBondContact O-CA 3.22Å; S91-K94 WeakPolarHBondContact O-CB 3.26Å; S91-K94 PolarHBondContact O-N 2.78Å; S91-K94 VanDerWaalsContact O-N 3.12Å; S91-W95 PolarHBondContact O-N 2.75Å; S91-W95 PolarHBondContact OG-NE1 3.01Å
92	T	90.6	Very high	89.5	Confident	10 Å²	10	49.8 Å²	49.8	6%	0.061	27%	0.267	C	S	.	.	H	α-helix	trans	-57	-48.4	175.7	-54.4	0	0	0	0	110.6	I88 K94 W95 M96 D193	I88-T92 PolarHBondContact O-N 3.09Å; I88-T92 PolarHBondContact O-OG1 3.46Å; T92-K94 VanDerWaalsContact C-N 3.31Å; T92-K94 PolarHBondContact O-N 3.11Å; T92-W95 PolarHBondContact O-N 2.92Å; T92-M96 HydrophobicContact CG2-CG 4.39Å; T92-M96 HydrophobicContact CG2-SD 4.23Å; T92-M96 WeakPolarHBondContact O-CB 3.39Å; T92-M96 VanDerWaalsContact O-CG 3.31Å; T92-M96 WeakPolarHBondContact O-CG 3.5Å; T92-M96 PolarHBondContact O-N 3.46Å; T92-D193 VanDerWaalsContact CG2-OD1 3.24Å; T92-D193 WeakPolarHBondContact CG2-OD1 3.41Å; T92-D193 WeakPolarHBondContact OG1-CA 3.38Å; T92-D193 PolarHBondContact OG1-OD1 3.35Å
93	V	91.4	Very high	90.4	Very high	13 Å²	13	48.7 Å²	48.7	8%	0.079	26%	0.257	C	S	.	.	H	α-helix	trans	-61.9	-40.1	177.2	170.5	0	0	0	0	111.2	F89 S91 K97 W107 F122	F89-V93 VanDerWaalsContact O-CB 3.32Å; F89-V93 WeakPolarHBondContact O-CB 3.39Å; F89-V93 WeakPolarHBondContact O-CG2 3.41Å; F89-V93 PolarHBondContact O-N 3.23Å; S91-V93 VanDerWaalsContact C-N 3.35Å; S91-V93 PolarHBondContact O-N 2.85Å; V93-K97 HydrophobicContact CG1-CD 3.88Å; V93-K97 HydrophobicContact CG1-CG 4.48Å; V93-K97 VanDerWaalsContact O-CB 3.31Å; V93-K97 WeakPolarHBondContact O-CB 3.46Å; V93-K97 VanDerWaalsContact O-CG 3.25Å; V93-K97 WeakPolarHBondContact O-CG 3.25Å; V93-K97 PolarHBondContact O-N 3.25Å; V93-W107 HydrophobicContact CG1-CH2 4.05Å; V93-W107 HydrophobicContact CG1-CZ2 4.44Å; V93-W107 HydrophobicContact CG1-CZ3 4.3Å; V93-W107 HydrophobicContact CG2-CH2 4.11Å; V93-W107 HydrophobicContact CG2-CZ3 4.04Å; V93-F122 HydrophobicContact CG2-CE1 4.3Å; V93-F122 HydrophobicContact CG2-CZ 3.63Å
94	K	93	Very high	91.2	Very high	125 Å²	125	44.6 Å²	44.6	54%	0.543	23%	0.228	S	C	.	.	H	α-helix	trans	-58.8	-52.4	174.2	178.9	-173.4	174.6	-173.5	0	110.1	Q90 S91 T92 M96 K97 T98	Q90-K94 WeakPolarHBondContact O-CB 3.34Å; Q90-K94 PolarHBondContact O-N 3.45Å; S91-K94 WeakPolarHBondContact O-CA 3.22Å; S91-K94 WeakPolarHBondContact O-CB 3.26Å; S91-K94 PolarHBondContact O-N 2.78Å; S91-K94 VanDerWaalsContact O-N 3.12Å; T92-K94 VanDerWaalsContact C-N 3.31Å; T92-K94 PolarHBondContact O-N 3.11Å; K94-M96 PolarHBondContact O-N 3.45Å; K94-K97 CarbonylContact O-C 3.55Å; K94-K97 WeakPolarHBondContact O-CA 3.34Å; K94-K97 PolarHBondContact O-N 3.46Å; K94-K97 VanDerWaalsContact O-N 3.08Å; K94-T98 HydrophobicContact CG-CG2 4.29Å; K94-T98 WeakPolarHBondContact O-CG2 3.48Å; K94-T98 PolarHBondContact O-N 2.86Å; K94-T98 PolarHBondContact O-OG1 3.29Å; K94-T98 VanDerWaalsContact O-OG1 3.06Å
95	W	93.9	Very high	91.8	Very high	49 Å²	49	42.3 Å²	42.3	19%	0.186	21%	0.214	C	C	.	.	H	α-helix	trans	-61.9	-44.7	-179.3	-69.1	126.5	0	0	0	113.1	S91 T92 K97 T98 L99 L169 L192 V195	S91-W95 PolarHBondContact O-N 2.75Å; S91-W95 PolarHBondContact OG-NE1 3.01Å; T92-W95 PolarHBondContact O-N 2.92Å; W95-K97 PolarHBondContact O-N 3.12Å; W95-T98 WeakPolarHBondContact CA-OG1 3.47Å; W95-T98 PolarHBondContact O-N 3.07Å; W95-T98 VanDerWaalsContact O-N 3.14Å; W95-T98 PolarHBondContact O-OG1 2.9Å; W95-L99 HydrophobicContact CB-CD1 4.11Å; W95-L99 HydrophobicContact CD2-CD1 4.39Å; W95-L99 HydrophobicContact CE3-CD1 3.89Å; W95-L99 HydrophobicContact CE3-CD2 4.2Å; W95-L99 HydrophobicContact CE3-CG 3.93Å; W95-L99 HydrophobicContact CZ3-CD2 4.41Å; W95-L99 WeakPolarHBondContact O-CB 3.1Å; W95-L99 PolarHBondContact O-N 3.2Å; W95-L169 HydrophobicContact CE3-CD1 4.14Å; W95-L169 HydrophobicContact CH2-CD1 3.46Å; W95-L169 VanDerWaalsContact CH2-CD1 3.46Å; W95-L169 HydrophobicContact CH2-CD2 3.98Å; W95-L169 HydrophobicContact CH2-CG 4.38Å; W95-L169 HydrophobicContact CZ2-CD1 4.25Å; W95-L169 HydrophobicContact CZ2-CD2 4.27Å; W95-L169 HydrophobicContact CZ3-CD1 3.4Å; W95-L192 HydrophobicContact CB-CB 4.21Å; W95-L192 HydrophobicContact CB-CD1 3.98Å; W95-V195 HydrophobicContact CD2-CG1 4.04Å; W95-V195 HydrophobicContact CG-CB 4.33Å; W95-V195 HydrophobicContact CG-CG1 4.33Å; W95-V195 HydrophobicContact CZ2-CG1 4.11Å
96	M	93.3	Very high	92.4	Very high	10 Å²	10	45 Å²	45	5%	0.049	23%	0.23	C	C	.	.	H	α-helix	trans	-59.9	-32.4	174.5	-70.8	-173.6	78	0	0	112.3	T92 K94 R100 W107 F124 T126 L192	T92-M96 HydrophobicContact CG2-CG 4.39Å; T92-M96 HydrophobicContact CG2-SD 4.23Å; T92-M96 WeakPolarHBondContact O-CB 3.39Å; T92-M96 VanDerWaalsContact O-CG 3.31Å; T92-M96 WeakPolarHBondContact O-CG 3.5Å; T92-M96 PolarHBondContact O-N 3.46Å; K94-M96 PolarHBondContact O-N 3.45Å; M96-R100 PolarHBondContact O-NH1 3.24Å; M96-W107 HydrophobicContact CB-CB 4.25Å; M96-W107 HydrophobicContact CB-CE3 4Å; M96-W107 HydrophobicContact CE-CE3 3.95Å; M96-W107 HydrophobicContact SD-CE3 3.94Å; M96-W107 HydrophobicContact SD-CZ3 4.27Å; M96-F124 HydrophobicContact CE-CD2 3.81Å; M96-F124 HydrophobicContact CE-CE2 3.46Å; M96-F124 VanDerWaalsContact CE-CE2 3.46Å; M96-F124 HydrophobicContact CE-CZ 4.05Å; M96-F124 HydrophobicContact SD-CD2 4.34Å; M96-F124 HydrophobicContact SD-CE1 4.49Å; M96-F124 HydrophobicContact SD-CE2 4.05Å; M96-F124 HydrophobicContact SD-CZ 4.11Å; M96-T126 HydrophobicContact CE-CG2 3.96Å; M96-L192 HydrophobicContact CG-CD1 3.93Å
97	K	92.7	Very high	92.8	Very high	103 Å²	103	45.7 Å²	45.7	45%	0.448	23%	0.232	S	C	.	.	H	α-helix	trans	-84.7	-18.1	177.1	-74.1	177.2	179.1	176.8	0	114.1	V93 K94 W95 R100 W107	V93-K97 HydrophobicContact CG1-CD 3.88Å; V93-K97 HydrophobicContact CG1-CG 4.48Å; V93-K97 VanDerWaalsContact O-CB 3.31Å; V93-K97 WeakPolarHBondContact O-CB 3.46Å; V93-K97 VanDerWaalsContact O-CG 3.25Å; V93-K97 WeakPolarHBondContact O-CG 3.25Å; V93-K97 PolarHBondContact O-N 3.25Å; K94-K97 CarbonylContact O-C 3.55Å; K94-K97 WeakPolarHBondContact O-CA 3.34Å; K94-K97 PolarHBondContact O-N 3.46Å; K94-K97 VanDerWaalsContact O-N 3.08Å; W95-K97 PolarHBondContact O-N 3.12Å; K97-R100 PolarHBondContact O-NH1 3.49Å; K97-R100 PolarHBondContact O-NH2 2.85Å; K97-W107 VanDerWaalsContact CE-CE2 3.45Å; K97-W107 HydrophobicContact CG-CD2 4.11Å; K97-W107 HydrophobicContact CG-CG 3.97Å
98	T	93.2	Very high	93.2	Very high	74 Å²	74	45.7 Å²	45.7	45%	0.454	23%	0.227	S	C	.	.	H	α-helix	trans	-104.4	-41.5	-177.6	54.8	0	0	0	0	113.1	K94 W95 R100	K94-T98 HydrophobicContact CG-CG2 4.29Å; K94-T98 WeakPolarHBondContact O-CG2 3.48Å; K94-T98 PolarHBondContact O-N 2.86Å; K94-T98 PolarHBondContact O-OG1 3.29Å; K94-T98 VanDerWaalsContact O-OG1 3.06Å; W95-T98 WeakPolarHBondContact CA-OG1 3.47Å; W95-T98 PolarHBondContact O-N 3.07Å; W95-T98 VanDerWaalsContact O-N 3.14Å; W95-T98 PolarHBondContact O-OG1 2.9Å; T98-R100 PolarHBondContact O-N 3.23Å
99	L	94.7	Very high	93.4	Very high	21 Å²	21	45.7 Å²	45.7	11%	0.11	23%	0.229	C	C	.	.			trans	-74.8	110.9	-177.1	-60.8	173.3	0	0	0	109.2	W95 M104 F162 L163 L169 L192	W95-L99 HydrophobicContact CB-CD1 4.11Å; W95-L99 HydrophobicContact CD2-CD1 4.39Å; W95-L99 HydrophobicContact CE3-CD1 3.89Å; W95-L99 HydrophobicContact CE3-CD2 4.2Å; W95-L99 HydrophobicContact CE3-CG 3.93Å; W95-L99 HydrophobicContact CZ3-CD2 4.41Å; W95-L99 WeakPolarHBondContact O-CB 3.1Å; W95-L99 PolarHBondContact O-N 3.2Å; L99-M104 HydrophobicContact CB-CE 3.56Å; L99-M104 HydrophobicContact CB-SD 3.63Å; L99-M104 HydrophobicContact CD1-CE 3.66Å; L99-M104 HydrophobicContact CD1-SD 4.41Å; L99-M104 HydrophobicContact CG-CE 4.23Å; L99-F162 HydrophobicContact CD2-CE1 4.32Å; L99-L163 HydrophobicContact CD1-CD1 3.78Å; L99-L163 HydrophobicContact CD2-CD1 4.24Å; L99-L169 HydrophobicContact CD2-CD1 4.39Å; L99-L192 HydrophobicContact CD1-CD1 4.23Å
100	R	93.4	Very high	93.5	Very high	137 Å²	137	46.7 Å²	46.7	52%	0.517	24%	0.241	S	C	.	.			trans	-119.6	103.7	-176.4	-70.3	-68.6	-178.5	-79.3	-6.3	109.2	M96 K97 T98	M96-R100 PolarHBondContact O-NH1 3.24Å; K97-R100 PolarHBondContact O-NH1 3.49Å; K97-R100 PolarHBondContact O-NH2 2.85Å; T98-R100 PolarHBondContact O-N 3.23Å
101	H	96.3	Very high	93.4	Very high	36 Å²	36	44.9 Å²	44.9	17%	0.167	24%	0.236	C	C	.	.			trans	-150	143.7	177.9	179.1	-89.1	0	0	0	108.5	N103 M104 F162	H101-N103 PolarHBondContact ND1-N 3.25Å; H101-N103 VanDerWaalsContact ND1-N 3.11Å; H101-N103 PolarHBondContact O-N 3.46Å; H101-N103 VanDerWaalsContact O-N 3.1Å; H101-M104 HydrophobicContact CB-CB 4.32Å; H101-M104 HydrophobicContact CB-CG 3.93Å; H101-M104 HydrophobicContact CB-SD 4.22Å; H101-M104 PolarHBondContact O-N 2.98Å; H101-F162 HydrophobicContact CB-CD1 3.65Å; H101-F162 HydrophobicContact CB-CE1 3.81Å; H101-F162 HydrophobicContact CB-CG 4.07Å; H101-F162 HydrophobicContact CB-CZ 4.35Å; H101-F162 AromaticContact CD2-CG 3.65Å; H101-F162 AromaticContact CG-CD1 3.92Å; H101-F162 AromaticContact CG-CG 3.95Å
102	P	95.8	Very high	92.8	Very high	85 Å²	85	51.6 Å²	51.6	55%	0.552	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-32.4	-176.3	19.3	-34.3	0	0	0	113.9	K188	P102-K188 VanDerWaalsContact O-CD 3.29Å; P102-K188 WeakPolarHBondContact O-CD 3.36Å; P102-K188 VanDerWaalsContact O-CE 3.23Å; P102-K188 WeakPolarHBondContact O-CE 3.37Å; P102-K188 PolarHBondContact O-NZ 3.03Å
103	N	97.9	Very high	92.1	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.021	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	18.8	179.1	-56.8	113.7	0	0	0	114.3	H101 Q155 A159 W187 K188 L189	H101-N103 PolarHBondContact ND1-N 3.25Å; H101-N103 VanDerWaalsContact ND1-N 3.11Å; H101-N103 PolarHBondContact O-N 3.46Å; H101-N103 VanDerWaalsContact O-N 3.1Å; N103-Q155 HydrophobicContact CB-CB 4.34Å; N103-Q155 VanDerWaalsContact CB-O 3.29Å; N103-Q155 WeakPolarHBondContact CB-O 3.41Å; N103-Q155 WeakPolarHBondContact ND2-CB 3.28Å; N103-Q155 VanDerWaalsContact ND2-CG 3.31Å; N103-Q155 WeakPolarHBondContact ND2-CG 3.4Å; N103-Q155 PolarHBondContact ND2-NE2 3.25Å; N103-A159 HydrophobicContact CB-CB 3.88Å; N103-A159 WeakPolarHBondContact O-CB 3.49Å; N103-W187 PolarHBondContact ND2-O 3.46Å; N103-K188 CarbonylContact O-C 3.48Å; N103-K188 WeakPolarHBondContact O-CA 3.4Å; N103-L189 PolarHBondContact O-N 3.02Å
104	M	97.6	Very high	91.1	Very high	5 Å²	5	54.3 Å²	54.3	3%	0.025	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-106.4	144.5	167.2	-70	-167	71.9	0	0	110.3	L99 H101 T106 A159 F162 L192	L99-M104 HydrophobicContact CB-CE 3.56Å; L99-M104 HydrophobicContact CB-SD 3.63Å; L99-M104 HydrophobicContact CD1-CE 3.66Å; L99-M104 HydrophobicContact CD1-SD 4.41Å; L99-M104 HydrophobicContact CG-CE 4.23Å; H101-M104 HydrophobicContact CB-CB 4.32Å; H101-M104 HydrophobicContact CB-CG 3.93Å; H101-M104 HydrophobicContact CB-SD 4.22Å; H101-M104 PolarHBondContact O-N 2.98Å; M104-T106 PolarHBondContact O-N 3.3Å; M104-A159 HydrophobicContact CG-CB 4.39Å; M104-F162 HydrophobicContact SD-CD1 3.93Å; M104-F162 HydrophobicContact SD-CE1 3.79Å; M104-L192 HydrophobicContact CE-CD1 3.83Å; M104-L192 HydrophobicContact CE-CD2 3.81Å; M104-L192 HydrophobicContact CE-CG 4.47Å
105	L	97.6	Very high	89.9	Confident	10 Å²	10	54.1 Å²	54.1	5%	0.052	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-64.3	118.7	-177.6	-177.5	62.5	0	0	0	110.7	F69 W107 T126 E127 V129 F180 K188 L189	F69-L105 HydrophobicContact CE2-CD2 4.41Å; F69-L105 HydrophobicContact CZ-CD2 4.13Å; L105-W107 PolarHBondContact O-N 2.79Å; L105-T126 HydrophobicContact CD1-CG2 4.27Å; L105-T126 HydrophobicContact CD2-CG2 3.85Å; L105-T126 HydrophobicContact CG-CG2 3.85Å; L105-E127 HydrophobicContact CD1-CG 4.23Å; L105-V129 HydrophobicContact CD1-CB 4.48Å; L105-V129 HydrophobicContact CD1-CG1 3.78Å; L105-V129 HydrophobicContact CD1-CG2 3.96Å; L105-F180 HydrophobicContact CD1-CB 4.41Å; L105-F180 HydrophobicContact CD2-CD2 3.74Å; L105-F180 HydrophobicContact CD2-CE2 4.05Å; L105-F180 HydrophobicContact CD2-CG 4.2Å; L105-K188 HydrophobicContact CB-CB 4.23Å; L105-K188 HydrophobicContact CD1-CB 4.32Å; L105-L189 PolarHBondContact N-O 3.04Å
106	T	95.9	Very high	88.8	Confident	55 Å²	55	54.2 Å²	54.2	34%	0.337	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-77.9	121.6	-172.3	-52.5	0	0	0	0	112.1	M104 T126 E127	M104-T106 PolarHBondContact O-N 3.3Å; T106-T126 WeakPolarHBondContact O-CA 3.24Å; T106-T126 VanDerWaalsContact O-CB 3.24Å; T106-T126 WeakPolarHBondContact O-CB 3.41Å; T106-E127 WeakPolarHBondContact CB-OE1 3.4Å; T106-E127 PolarHBondContact N-OE1 3.28Å; T106-E127 PolarHBondContact O-N 3.03Å; T106-E127 PolarHBondContact OG1-OE1 2.87Å
107	W	94.5	Very high	88	Confident	29 Å²	29	63.1 Å²	63.1	11%	0.11	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	128.5	168.8	175.4	-80.5	0	0	0	111.6	V93 M96 K97 L105 G109 F124	V93-W107 HydrophobicContact CG1-CH2 4.05Å; V93-W107 HydrophobicContact CG1-CZ2 4.44Å; V93-W107 HydrophobicContact CG1-CZ3 4.3Å; V93-W107 HydrophobicContact CG2-CH2 4.11Å; V93-W107 HydrophobicContact CG2-CZ3 4.04Å; M96-W107 HydrophobicContact CB-CB 4.25Å; M96-W107 HydrophobicContact CB-CE3 4Å; M96-W107 HydrophobicContact CE-CE3 3.95Å; M96-W107 HydrophobicContact SD-CE3 3.94Å; M96-W107 HydrophobicContact SD-CZ3 4.27Å; K97-W107 VanDerWaalsContact CE-CE2 3.45Å; K97-W107 HydrophobicContact CG-CD2 4.11Å; K97-W107 HydrophobicContact CG-CG 3.97Å; L105-W107 PolarHBondContact O-N 2.79Å; W107-G109 WeakPolarHBondContact CZ2-O 3.06Å; W107-F124 HydrophobicContact CE3-CB 4.05Å; W107-F124 HydrophobicContact CE3-CD2 4.32Å; W107-F124 HydrophobicContact CE3-CG 4.33Å; W107-F124 HydrophobicContact CH2-CB 3.46Å; W107-F124 VanDerWaalsContact CH2-CB 3.46Å; W107-F124 HydrophobicContact CH2-CG 4.42Å; W107-F124 HydrophobicContact CZ2-CB 4.44Å; W107-F124 HydrophobicContact CZ3-CB 3.23Å; W107-F124 HydrophobicContact CZ3-CD1 4.42Å; W107-F124 HydrophobicContact CZ3-CD2 4.16Å; W107-F124 AromaticContact CZ3-CG 3.72Å; W107-F124 HydrophobicContact CZ3-CG 3.72Å
108	I	93.9	Very high	87.1	Confident	59 Å²	59	59.7 Å²	59.7	30%	0.303	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-45	173.9	-63	-174.7	0	0	0	111.2	F31 V66 V125 T126	F31-I108 HydrophobicContact CE1-CG2 4.05Å; F31-I108 HydrophobicContact CZ-CG2 3.92Å; V66-I108 HydrophobicContact CG1-CD1 3.8Å; I108-V125 HydrophobicContact CB-CG1 4.41Å; I108-V125 WeakPolarHBondContact CB-O 3.36Å; I108-V125 PolarHBondContact N-O 3.34Å; I108-T126 WeakPolarHBondContact CD1-O 3.42Å
109	G	90.7	Very high	86.5	Confident	12 Å²	12	58.1 Å²	58.1	12%	0.124	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.5	174.7	-174.3	0	0	0	0	0	111.6	W107 F124 V125	W107-G109 WeakPolarHBondContact CZ2-O 3.06Å; G109-F124 CarbonylContact O-C 3.23Å; G109-F124 WeakPolarHBondContact O-CA 3.44Å; G109-V125 PolarHBondContact N-O 3.03Å; G109-V125 PolarHBondContact O-N 2.69Å
110	G	89	Confident	85.8	Confident	26 Å²	26	62.9 Å²	62.9	27%	0.268	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	174.2	169.2	178.9	0	0	0	0	0	112.3	G123	G110-G123 WeakPolarHBondContact CA-O 3.37Å
111	S	85.3	Confident	85.3	Confident	31 Å²	31	59.3 Å²	59.3	22%	0.217	35%	0.348	C	S	.	.			trans	-64.1	144.3	176	-59.1	0	0	0	0	110.5	P27 F122 G123	P27-S111 PolarHBondContact O-OG 3.03Å; S111-F122 WeakPolarHBondContact O-CE2 3.09Å; S111-G123 PolarHBondContact N-O 3.47Å; S111-G123 PolarHBondContact OG-O 2.97Å
112	E	78.3	Confident	84.9	Confident	190 Å²	190	57.7 Å²	57.7	89%	0.888	34%	0.341	S	S	*	.			trans	-72	132.2	176.5	-67.8	-177.3	172.9	0	0	110.3
113	I	76.5	Confident	84.6	Confident	30 Å²	30	53.7 Å²	53.7	15%	0.154	32%	0.315	C	S	.	.			trans	-107.4	93.5	173.2	-169.1	162.4	0	0	0	109	L86 F89 Q90 F122	L86-I113 HydrophobicContact CD2-CD1 3.91Å; L86-I113 HydrophobicContact CD2-CG1 3.82Å; F89-I113 HydrophobicContact CB-CD1 3.27Å; F89-I113 HydrophobicContact CG-CD1 4.26Å; Q90-I113 HydrophobicContact CG-CD1 4.27Å; Q90-I113 HydrophobicContact CG-CG1 4.1Å; Q90-I113 HydrophobicContact CG-CG2 3.74Å; I113-F122 HydrophobicContact CB-CE2 4.12Å
114	G	70.5	Confident	84.4	Confident	49 Å²	49	54.2 Å²	54.2	51%	0.505	32%	0.317	S	S	.	.			trans	-70.5	174.1	175.9	0	0	0	0	0	112.6	Q90 G116	Q90-G114 PolarHBondContact NE2-O 3.39Å; G114-G116 PolarHBondContact O-N 3.3Å
115	S	67.5	Low	84.2	Confident	121 Å²	121	54 Å²	54	85%	0.846	32%	0.316	S	S	*	.	S	Bend	trans	-77.2	6.9	172.1	54	0	0	0	0	114
116	G	70.4	Confident	84.1	Confident	51 Å²	51	53.5 Å²	53.5	53%	0.526	31%	0.314	S	S	.	.	S	Bend	trans	-88.5	-144.4	-171.4	0	0	0	0	0	114.4	L86 G114	L86-G116 WeakPolarHBondContact CD1-O 3.2Å; G114-G116 PolarHBondContact O-N 3.3Å
117	K	75.9	Confident	84.1	Confident	198 Å²	198	52.8 Å²	52.8	86%	0.861	31%	0.307	S	S	*	.	S	Bend	trans	-68.5	147.1	176.7	-66.8	-178.1	179.1	-179.5	0	110.6
118	L	75	Confident	84.1	Confident	30 Å²	30	54.3 Å²	54.3	16%	0.157	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-56.5	123	172	-169.5	71.4	0	0	0	109.2	L73 A78 A82 I85 L86	L73-L118 HydrophobicContact CB-CD2 4.07Å; L73-L118 HydrophobicContact CB-CG 4.2Å; L73-L118 HydrophobicContact CD1-CD1 3.95Å; L73-L118 HydrophobicContact CD1-CG 4.18Å; A78-L118 HydrophobicContact CB-CD2 3.71Å; A82-L118 HydrophobicContact CB-CB 4.32Å; I85-L118 HydrophobicContact CB-CD1 4.33Å; I85-L118 HydrophobicContact CG2-CD1 3.68Å; I85-L118 HydrophobicContact CG2-CD2 4.39Å; L86-L118 HydrophobicContact CD2-CD1 3.79Å; L86-L118 HydrophobicContact CG-CD1 3.8Å
119	P	78.8	Confident	84.3	Confident	42 Å²	42	51.6 Å²	51.6	27%	0.273	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-68	152	176.4	28.8	-32.8	0	0	0	109.8	L73 E121	L73-P119 WeakPolarHBondContact CB-O 3.46Å; L73-P119 HydrophobicContact CD1-CG 4.08Å; L73-P119 WeakPolarHBondContact CD1-O 3.41Å; P119-E121 PolarHBondContact O-N 2.7Å
120	N	81.4	Confident	84.5	Confident	121 Å²	121	53.1 Å²	53.1	65%	0.647	30%	0.303	S	S	*	.	S	Bend	trans	-66.9	-28.8	179.3	-68.3	-9.6	0	0	0	112.6	N72 L73 S74	N72-N120 PolarHBondContact OD1-O 3Å; L73-N120 PolarHBondContact N-O 3.36Å; S74-N120 PolarHBondContact OG-O 2.92Å
121	E	83.2	Confident	84.8	Confident	61 Å²	61	52.4 Å²	52.4	29%	0.285	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	142.4	178.9	-178.3	168.7	-135.5	0	0	108.8	F23 R53 V70 C71 P119	F23-E121 VanDerWaalsContact CE1-OE1 3.3Å; F23-E121 WeakPolarHBondContact CE1-OE1 3.5Å; R53-E121 IonicContact NH2-OE1 3.58Å; V70-E121 HydrophobicContact CG1-CG 3.77Å; V70-E121 WeakPolarHBondContact CG1-OE1 3.35Å; C71-E121 WeakPolarHBondContact O-CA 3.34Å; P119-E121 PolarHBondContact O-N 2.7Å
122	F	87.1	Confident	85.3	Confident	3 Å²	3	50.9 Å²	50.9	1%	0.013	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	138.7	174.4	178.7	-100.2	0	0	0	109.4	W52 C71 L73 F89 V93 S111 I113 F124	W52-F122 AromaticContact CH2-CD1 3.52Å; W52-F122 HydrophobicContact CH2-CD1 3.52Å; W52-F122 AromaticContact CH2-CE1 3.77Å; W52-F122 HydrophobicContact CH2-CE1 3.77Å; W52-F122 AromaticContact CZ3-CD1 3.91Å; W52-F122 HydrophobicContact CZ3-CD1 3.91Å; W52-F122 HydrophobicContact CZ3-CE1 4.29Å; C71-F122 PolarHBondContact N-O 3.36Å; C71-F122 PolarHBondContact O-N 3.28Å; L73-F122 HydrophobicContact CD1-CB 3.72Å; L73-F122 HydrophobicContact CG-CB 4.47Å; F89-F122 AromaticContact CD1-CD1 3.49Å; F89-F122 HydrophobicContact CD1-CD1 3.49Å; F89-F122 VanDerWaalsContact CD1-CD1 3.49Å; F89-F122 AromaticContact CD1-CE1 3.76Å; F89-F122 HydrophobicContact CD1-CE1 3.76Å; F89-F122 HydrophobicContact CD1-CG 4.1Å; F89-F122 HydrophobicContact CE1-CB 4.48Å; F89-F122 AromaticContact CE1-CD1 3.69Å; F89-F122 HydrophobicContact CE1-CD1 3.69Å; F89-F122 HydrophobicContact CE1-CE1 4.32Å; F89-F122 HydrophobicContact CE1-CG 4.33Å; V93-F122 HydrophobicContact CG2-CE1 4.3Å; V93-F122 HydrophobicContact CG2-CZ 3.63Å; S111-F122 WeakPolarHBondContact O-CE2 3.09Å; I113-F122 HydrophobicContact CB-CE2 4.12Å; F122-F124 AromaticContact CE1-CD1 3.96Å; F122-F124 HydrophobicContact CE1-CD1 3.96Å
123	G	89.3	Confident	86.1	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	147.7	178.8	0	0	0	0	0	113.1	F69 G110 S111	F69-G123 CarbonylContact O-C 3.43Å; F69-G123 WeakPolarHBondContact O-CA 3.42Å; G110-G123 WeakPolarHBondContact CA-O 3.37Å; S111-G123 PolarHBondContact N-O 3.47Å; S111-G123 PolarHBondContact OG-O 2.97Å
124	F	93	Very high	86.8	Confident	14 Å²	14	48.3 Å²	48.3	6%	0.061	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	168	172.5	67.2	-95.7	0	0	0	111.5	W52 L68 F69 M96 W107 G109 F122 T126	W52-F124 AromaticContact CE3-CE1 3.93Å; W52-F124 HydrophobicContact CE3-CE1 3.93Å; W52-F124 AromaticContact CH2-CD1 3.81Å; W52-F124 HydrophobicContact CH2-CD1 3.81Å; W52-F124 AromaticContact CH2-CE1 3.46Å; W52-F124 HydrophobicContact CH2-CE1 3.46Å; W52-F124 VanDerWaalsContact CH2-CE1 3.46Å; W52-F124 HydrophobicContact CZ2-CE1 4.23Å; W52-F124 AromaticContact CZ3-CD1 3.59Å; W52-F124 HydrophobicContact CZ3-CD1 3.59Å; W52-F124 AromaticContact CZ3-CE1 3.32Å; W52-F124 HydrophobicContact CZ3-CE1 3.32Å; W52-F124 HydrophobicContact CZ3-CZ 4.45Å; L68-F124 WeakPolarHBondContact CA-O 3.35Å; F69-F124 HydrophobicContact CB-CD1 3.92Å; F69-F124 HydrophobicContact CB-CD2 3.95Å; F69-F124 HydrophobicContact CB-CE1 3.55Å; F69-F124 HydrophobicContact CB-CE2 3.54Å; F69-F124 HydrophobicContact CB-CG 4.12Å; F69-F124 HydrophobicContact CB-CZ 3.35Å; F69-F124 HydrophobicContact CD1-CE2 4.12Å; F69-F124 AromaticContact CD1-CZ 3.8Å; F69-F124 HydrophobicContact CD1-CZ 3.8Å; F69-F124 AromaticContact CD2-CD2 3.97Å; F69-F124 HydrophobicContact CD2-CD2 3.97Å; F69-F124 AromaticContact CD2-CE2 3.37Å; F69-F124 HydrophobicContact CD2-CE2 3.37Å; F69-F124 AromaticContact CD2-CZ 3.91Å; F69-F124 HydrophobicContact CD2-CZ 3.91Å; F69-F124 HydrophobicContact CE2-CE2 4.08Å; F69-F124 HydrophobicContact CG-CD2 4.16Å; F69-F124 HydrophobicContact CG-CE1 4.14Å; F69-F124 AromaticContact CG-CE2 3.4Å; F69-F124 HydrophobicContact CG-CE2 3.4Å; F69-F124 AromaticContact CG-CZ 3.41Å; F69-F124 HydrophobicContact CG-CZ 3.41Å; F69-F124 VanDerWaalsContact CG-CZ 3.41Å; F69-F124 PolarHBondContact N-O 3.03Å; F69-F124 PolarHBondContact O-N 3.34Å; M96-F124 HydrophobicContact CE-CD2 3.81Å; M96-F124 HydrophobicContact CE-CE2 3.46Å; M96-F124 VanDerWaalsContact CE-CE2 3.46Å; M96-F124 HydrophobicContact CE-CZ 4.05Å; M96-F124 HydrophobicContact SD-CD2 4.34Å; M96-F124 HydrophobicContact SD-CE1 4.49Å; M96-F124 HydrophobicContact SD-CE2 4.05Å; M96-F124 HydrophobicContact SD-CZ 4.11Å; W107-F124 HydrophobicContact CE3-CB 4.05Å; W107-F124 HydrophobicContact CE3-CD2 4.32Å; W107-F124 HydrophobicContact CE3-CG 4.33Å; W107-F124 HydrophobicContact CH2-CB 3.46Å; W107-F124 VanDerWaalsContact CH2-CB 3.46Å; W107-F124 HydrophobicContact CH2-CG 4.42Å; W107-F124 HydrophobicContact CZ2-CB 4.44Å; W107-F124 HydrophobicContact CZ3-CB 3.23Å; W107-F124 HydrophobicContact CZ3-CD1 4.42Å; W107-F124 HydrophobicContact CZ3-CD2 4.16Å; W107-F124 AromaticContact CZ3-CG 3.72Å; W107-F124 HydrophobicContact CZ3-CG 3.72Å; G109-F124 CarbonylContact O-C 3.23Å; G109-F124 WeakPolarHBondContact O-CA 3.44Å; F122-F124 AromaticContact CE1-CD1 3.96Å; F122-F124 HydrophobicContact CE1-CD1 3.96Å; F124-T126 HydrophobicContact CD2-CG2 3.78Å; F124-T126 HydrophobicContact CE2-CG2 3.64Å
125	V	94.7	Very high	87.9	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133.4	-172.5	-170.7	0	0	0	0	109.4	V28 F31 V66 T67 L68 I108 G109	V28-V125 HydrophobicContact CB-CG2 4.09Å; V28-V125 HydrophobicContact CG1-CG2 3.97Å; V28-V125 HydrophobicContact CG2-CG2 4.13Å; F31-V125 HydrophobicContact CB-CG2 4.41Å; F31-V125 HydrophobicContact CD1-CB 4.47Å; F31-V125 HydrophobicContact CD1-CG1 3.85Å; F31-V125 HydrophobicContact CD1-CG2 4.2Å; F31-V125 HydrophobicContact CD2-CG2 3.7Å; F31-V125 HydrophobicContact CE1-CB 4.31Å; F31-V125 HydrophobicContact CE1-CG1 3.78Å; F31-V125 HydrophobicContact CE1-CG2 4.41Å; F31-V125 HydrophobicContact CE2-CB 4.39Å; F31-V125 HydrophobicContact CE2-CG2 3.94Å; F31-V125 HydrophobicContact CG-CG1 4.33Å; F31-V125 HydrophobicContact CG-CG2 3.84Å; F31-V125 HydrophobicContact CZ-CB 4.27Å; F31-V125 HydrophobicContact CZ-CG1 4.22Å; F31-V125 HydrophobicContact CZ-CG2 4.28Å; V66-V125 HydrophobicContact CB-CG1 3.59Å; V66-V125 HydrophobicContact CG1-CG1 4.08Å; V66-V125 HydrophobicContact CG2-CG1 3.65Å; T67-V125 WeakPolarHBondContact O-CA 3.48Å; L68-V125 HydrophobicContact CG-CG2 4.12Å; I108-V125 HydrophobicContact CB-CG1 4.41Å; I108-V125 WeakPolarHBondContact CB-O 3.36Å; I108-V125 PolarHBondContact N-O 3.34Å; G109-V125 PolarHBondContact N-O 3.03Å; G109-V125 PolarHBondContact O-N 2.69Å
126	T	95.8	Very high	89.2	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	176.1	176.7	68.9	0	0	0	0	110.9	V66 T67 F69 M96 L105 T106 I108 F124	V66-T126 WeakPolarHBondContact CB-O 3.05Å; T67-T126 PolarHBondContact N-O 2.98Å; T67-T126 VanDerWaalsContact N-O 3.14Å; T67-T126 PolarHBondContact O-N 3.11Å; F69-T126 HydrophobicContact CD2-CG2 4.1Å; F69-T126 HydrophobicContact CE2-CG2 3.87Å; F69-T126 WeakPolarHBondContact CE2-OG1 3.48Å; M96-T126 HydrophobicContact CE-CG2 3.96Å; L105-T126 HydrophobicContact CD1-CG2 4.27Å; L105-T126 HydrophobicContact CD2-CG2 3.85Å; L105-T126 HydrophobicContact CG-CG2 3.85Å; T106-T126 WeakPolarHBondContact O-CA 3.24Å; T106-T126 VanDerWaalsContact O-CB 3.24Å; T106-T126 WeakPolarHBondContact O-CB 3.41Å; I108-T126 WeakPolarHBondContact CD1-O 3.42Å; F124-T126 HydrophobicContact CD2-CG2 3.78Å; F124-T126 HydrophobicContact CE2-CG2 3.64Å
127	E	95.3	Very high	90.1	Very high	41 Å²	41	43.9 Å²	43.9	19%	0.192	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52	155.9	164	66.6	-172.9	122.5	0	0	111.4	L105 T106 V129 T182 K188	L105-E127 HydrophobicContact CD1-CG 4.23Å; T106-E127 WeakPolarHBondContact CB-OE1 3.4Å; T106-E127 PolarHBondContact N-OE1 3.28Å; T106-E127 PolarHBondContact O-N 3.03Å; T106-E127 PolarHBondContact OG1-OE1 2.87Å; E127-V129 HydrophobicContact CG-CG1 3.94Å; E127-V129 PolarHBondContact O-N 3.22Å; E127-V129 VanDerWaalsContact O-N 3.08Å; E127-T182 HydrophobicContact CG-CG2 4.47Å; E127-T182 WeakPolarHBondContact OE2-CG2 3.45Å; E127-K188 WeakPolarHBondContact OE1-CE 3.35Å; E127-K188 IonicContact OE1-NZ 2.91Å; E127-K188 PolarHBondContact OE1-NZ 3.3Å; E127-K188 VanDerWaalsContact OE1-NZ 3.07Å; E127-K188 IonicContact OE2-NZ 3.96Å; E127-K188 PolarHBondContact OE2-NZ 3.22Å; E127-K188 VanDerWaalsContact OE2-NZ 3.15Å
128	R	95.2	Very high	90.8	Very high	60 Å²	60	38.9 Å²	38.9	23%	0.226	18%	0.182	C	C	.	.	S	Bend	trans	-63	110.4	-178.1	-177.8	61.5	170.5	153.5	-0	110.5	L41 P56 E65 T182 T183	L41-R128 VanDerWaalsContact CD1-NH1 3.32Å; P56-R128 VanDerWaalsContact CA-NH1 3.3Å; P56-R128 VanDerWaalsContact CB-NH1 3.27Å; E65-R128 HydrophobicContact CB-CB 4.37Å; E65-R128 HydrophobicContact CB-CG 4.22Å; R128-T182 WeakPolarHBondContact O-CA 3.44Å; R128-T183 HydrophobicContact CG-CG2 3.76Å
129	V	96.5	Very high	91.5	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.012	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	156.8	-179	-62.9	0	0	0	0	113.6	T67 F69 L105 E127 F180 V181 T182	T67-V129 HydrophobicContact CG2-CG2 4.11Å; T67-V129 PolarHBondContact OG1-N 3.14Å; T67-V129 PolarHBondContact OG1-O 3.38Å; F69-V129 HydrophobicContact CE2-CG2 4.42Å; F69-V129 HydrophobicContact CZ-CG2 4.25Å; L105-V129 HydrophobicContact CD1-CB 4.48Å; L105-V129 HydrophobicContact CD1-CG1 3.78Å; L105-V129 HydrophobicContact CD1-CG2 3.96Å; E127-V129 HydrophobicContact CG-CG1 3.94Å; E127-V129 PolarHBondContact O-N 3.22Å; E127-V129 VanDerWaalsContact O-N 3.08Å; V129-F180 HydrophobicContact CB-CB 3.88Å; V129-F180 HydrophobicContact CG1-CB 4.24Å; V129-F180 HydrophobicContact CG2-CB 3.87Å; V129-F180 HydrophobicContact CG2-CD1 4.26Å; V129-F180 HydrophobicContact CG2-CG 4.29Å; V129-V181 CarbonylContact C-O 3.54Å; V129-V181 VanDerWaalsContact CA-O 3.23Å; V129-V181 WeakPolarHBondContact CA-O 3.21Å; V129-T182 HydrophobicContact CG1-CG2 3.97Å
130	L	95.3	Very high	91.6	Very high	44 Å²	44	37.5 Å²	37.5	23%	0.23	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	147.2	165.5	-70	172.7	0	0	0	110.4	L41 I138 F180 V181	L41-L130 HydrophobicContact CB-CD2 3.96Å; L41-L130 HydrophobicContact CD1-CD2 3.88Å; L41-L130 HydrophobicContact CD2-CD2 4.09Å; L41-L130 HydrophobicContact CG-CD2 4.17Å; L130-I138 HydrophobicContact CD1-CD1 4.21Å; L130-F180 CarbonylContact O-C 3.25Å; L130-F180 VanDerWaalsContact O-CA 3.31Å; L130-F180 WeakPolarHBondContact O-CA 3.13Å; L130-V181 PolarHBondContact N-O 3.27Å; L130-V181 PolarHBondContact O-N 3.01Å
131	P	96.2	Very high	91.5	Very high	11 Å²	11	36.2 Å²	36.2	7%	0.071	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	140.7	169.2	-23.1	35.6	0	0	0	111.1	I54 R133 E134 Y135	I54-P131 HydrophobicContact CD1-CG 3.57Å; P131-R133 VanDerWaalsContact C-N 3.28Å; P131-R133 PolarHBondContact O-N 3.02Å; P131-E134 PolarHBondContact O-N 2.9Å; P131-Y135 PolarHBondContact O-N 3.34Å
132	L	96.5	Very high	91.3	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-57.2	-41.5	-176.8	176	60.8	0	0	0	112.3	E134 Y135 L136 L176 V179 V181 W187 L236	L132-E134 VanDerWaalsContact C-N 3.26Å; L132-E134 PolarHBondContact O-N 2.94Å; L132-Y135 PolarHBondContact O-N 2.85Å; L132-Y135 VanDerWaalsContact O-N 3.16Å; L132-L136 HydrophobicContact CD1-CD1 3.95Å; L132-L136 HydrophobicContact CD1-CD2 4.04Å; L132-L136 HydrophobicContact CD1-CG 3.68Å; L132-L136 HydrophobicContact CD2-CD1 4.37Å; L132-L136 HydrophobicContact CG-CD1 3.86Å; L132-L136 HydrophobicContact CG-CG 4.06Å; L132-L136 WeakPolarHBondContact O-CG 3.2Å; L132-L136 PolarHBondContact O-N 3.32Å; L132-L176 HydrophobicContact CD2-CD2 3.59Å; L132-L176 HydrophobicContact CG-CD2 3.91Å; L132-V179 HydrophobicContact CB-CB 3.85Å; L132-V179 HydrophobicContact CB-CG1 3.96Å; L132-V179 WeakPolarHBondContact CB-O 3.31Å; L132-V179 HydrophobicContact CD2-CB 3.68Å; L132-V179 HydrophobicContact CD2-CG1 3.71Å; L132-V179 HydrophobicContact CD2-CG2 4.3Å; L132-V179 HydrophobicContact CG-CB 4.37Å; L132-V179 HydrophobicContact CG-CG1 4.28Å; L132-V179 PolarHBondContact N-O 3.31Å; L132-V181 HydrophobicContact CB-CG2 4.31Å; L132-V181 HydrophobicContact CD1-CG2 3.61Å; L132-W187 HydrophobicContact CD1-CD2 3.82Å; L132-W187 VanDerWaalsContact CD1-CE2 3.48Å; L132-W187 HydrophobicContact CD1-CE3 3.95Å; L132-W187 HydrophobicContact CD1-CH2 3.48Å; L132-W187 VanDerWaalsContact CD1-CH2 3.48Å; L132-W187 HydrophobicContact CD1-CZ2 3.33Å; L132-W187 HydrophobicContact CD1-CZ3 3.79Å; L132-W187 HydrophobicContact CD2-CD2 4.44Å; L132-W187 HydrophobicContact CD2-CE3 3.76Å; L132-W187 HydrophobicContact CD2-CH2 3.78Å; L132-W187 HydrophobicContact CD2-CZ2 4.46Å; L132-W187 HydrophobicContact CD2-CZ3 3.38Å; L132-W187 HydrophobicContact CG-CH2 4.24Å; L132-W187 HydrophobicContact CG-CZ3 4.24Å; L132-L236 HydrophobicContact CD2-CD1 3.98Å
133	R	93.1	Very high	91.1	Very high	117 Å²	117	38.8 Å²	38.8	44%	0.442	20%	0.204	S	C	.	.	H	α-helix	trans	-54.6	-43	176.7	-179.9	177.3	-79.7	135.8	1.6	112	P131 R137 D177	P131-R133 VanDerWaalsContact C-N 3.28Å; P131-R133 PolarHBondContact O-N 3.02Å; R133-R137 PolarHBondContact O-N 3.46Å; R133-R137 VanDerWaalsContact O-N 3.12Å; R133-D177 IonicContact CZ-OD1 3.87Å; R133-D177 IonicContact NH1-OD1 3.99Å; R133-D177 PolarHBondContact NH1-OD1 3.24Å; R133-D177 IonicContact NH2-OD1 2.82Å
134	E	92.7	Very high	90.9	Very high	48 Å²	48	41.2 Å²	41.2	22%	0.224	22%	0.217	C	C	.	.	H	α-helix	trans	-73	-39.4	178.9	-177.7	56.9	-160.9	0	0	111.6	P131 L132 L136 R137 I138	P131-E134 PolarHBondContact O-N 2.9Å; L132-E134 VanDerWaalsContact C-N 3.26Å; L132-E134 PolarHBondContact O-N 2.94Å; E134-L136 PolarHBondContact O-N 2.94Å; E134-R137 VanDerWaalsContact CD-NE 3.34Å; E134-R137 WeakPolarHBondContact O-CB 3.39Å; E134-R137 PolarHBondContact O-N 3.34Å; E134-R137 IonicContact OE1-CZ 3.65Å; E134-R137 IonicContact OE1-NE 3.85Å; E134-R137 PolarHBondContact OE1-NE 3.31Å; E134-R137 VanDerWaalsContact OE1-NE 3.14Å; E134-R137 IonicContact OE1-NH2 2.84Å; E134-R137 PolarHBondContact OE1-NH2 3.5Å; E134-R137 IonicContact OE2-CZ 3.68Å; E134-R137 IonicContact OE2-NE 2.94Å; E134-R137 PolarHBondContact OE2-NE 2.94Å; E134-R137 IonicContact OE2-NH2 3.6Å; E134-I138 HydrophobicContact CG-CD1 4.27Å; E134-I138 WeakPolarHBondContact O-CG1 3.5Å; E134-I138 PolarHBondContact O-N 3.01Å; E134-I138 VanDerWaalsContact O-N 3.07Å
135	Y	94	Very high	90.9	Very high	9 Å²	9	41.4 Å²	41.4	4%	0.035	22%	0.218	C	C	.	.	H	α-helix	trans	-61.2	-45.9	175.3	-175.5	-102.1	0	0	0	112.3	P131 L132 R137 I138 K139 I148 V181 D343	P131-Y135 PolarHBondContact O-N 3.34Å; L132-Y135 PolarHBondContact O-N 2.85Å; L132-Y135 VanDerWaalsContact O-N 3.16Å; Y135-R137 VanDerWaalsContact C-N 3.28Å; Y135-R137 PolarHBondContact O-N 3.04Å; Y135-I138 PolarHBondContact O-N 3.42Å; Y135-K139 HydrophobicContact CD1-CG 4.43Å; Y135-K139 HydrophobicContact CE1-CG 3.95Å; Y135-K139 HydrophobicContact CE2-CG 4.15Å; Y135-K139 PolarHBondContact O-N 3.33Å; Y135-I148 HydrophobicContact CE1-CG2 3.78Å; Y135-V181 HydrophobicContact CD1-CB 4.12Å; Y135-V181 HydrophobicContact CD1-CG1 3.84Å; Y135-V181 HydrophobicContact CD1-CG2 3.86Å; Y135-V181 HydrophobicContact CD2-CB 4.15Å; Y135-V181 HydrophobicContact CD2-CG1 3.91Å; Y135-V181 HydrophobicContact CE1-CG1 3.89Å; Y135-V181 HydrophobicContact CE2-CG1 3.98Å; Y135-V181 HydrophobicContact CG-CB 3.84Å; Y135-V181 HydrophobicContact CG-CG1 3.84Å; Y135-V181 HydrophobicContact CG-CG2 3.9Å; Y135-D343 WeakPolarHBondContact CE2-OD2 3.36Å; Y135-D343 PolarHBondContact OH-OD2 3.34Å
136	L	93.3	Very high	90.8	Very high	11 Å²	11	45.6 Å²	45.6	6%	0.058	24%	0.24	C	C	.	.	H	α-helix	trans	-64.1	-34.6	176.6	-66.2	177	0	0	0	111.9	L132 E134 K139 A140 F145 L176 W187 I240	L132-L136 HydrophobicContact CD1-CD1 3.95Å; L132-L136 HydrophobicContact CD1-CD2 4.04Å; L132-L136 HydrophobicContact CD1-CG 3.68Å; L132-L136 HydrophobicContact CD2-CD1 4.37Å; L132-L136 HydrophobicContact CG-CD1 3.86Å; L132-L136 HydrophobicContact CG-CG 4.06Å; L132-L136 WeakPolarHBondContact O-CG 3.2Å; L132-L136 PolarHBondContact O-N 3.32Å; E134-L136 PolarHBondContact O-N 2.94Å; L136-K139 CarbonylContact O-C 3.34Å; L136-K139 PolarHBondContact O-N 2.93Å; L136-A140 WeakPolarHBondContact O-CA 3.45Å; L136-A140 WeakPolarHBondContact O-CB 3.32Å; L136-A140 PolarHBondContact O-N 3.42Å; L136-F145 HydrophobicContact CD2-CE2 3.84Å; L136-F145 HydrophobicContact CD2-CZ 4.17Å; L136-L176 HydrophobicContact CD1-CD2 3.88Å; L136-W187 HydrophobicContact CD2-CH2 4.28Å; L136-W187 HydrophobicContact CD2-CZ2 4.03Å; L136-I240 HydrophobicContact CD1-CB 4.4Å; L136-I240 HydrophobicContact CD1-CG1 4.05Å; L136-I240 HydrophobicContact CD1-CG2 4.31Å
137	R	90	Very high	90.8	Very high	108 Å²	108	47.4 Å²	47.4	41%	0.408	25%	0.249	S	C	.	.	H	α-helix	trans	-60	-46.5	173.1	-175	179.4	83.5	86.4	6	111.5	F4 R133 E134 Y135 K139 A140	F4-R137 HydrophobicContact CB-CG 3.47Å; F4-R137 VanDerWaalsContact CB-CG 3.47Å; F4-R137 HydrophobicContact CD2-CB 4.08Å; F4-R137 HydrophobicContact CD2-CG 3.76Å; F4-R137 HydrophobicContact CE2-CB 4.38Å; F4-R137 HydrophobicContact CG-CB 4.38Å; F4-R137 HydrophobicContact CG-CG 3.75Å; R133-R137 PolarHBondContact O-N 3.46Å; R133-R137 VanDerWaalsContact O-N 3.12Å; E134-R137 VanDerWaalsContact CD-NE 3.34Å; E134-R137 WeakPolarHBondContact O-CB 3.39Å; E134-R137 PolarHBondContact O-N 3.34Å; E134-R137 IonicContact OE1-CZ 3.65Å; E134-R137 IonicContact OE1-NE 3.85Å; E134-R137 PolarHBondContact OE1-NE 3.31Å; E134-R137 VanDerWaalsContact OE1-NE 3.14Å; E134-R137 IonicContact OE1-NH2 2.84Å; E134-R137 PolarHBondContact OE1-NH2 3.5Å; E134-R137 IonicContact OE2-CZ 3.68Å; E134-R137 IonicContact OE2-NE 2.94Å; E134-R137 PolarHBondContact OE2-NE 2.94Å; E134-R137 IonicContact OE2-NH2 3.6Å; Y135-R137 VanDerWaalsContact C-N 3.28Å; Y135-R137 PolarHBondContact O-N 3.04Å; R137-K139 VanDerWaalsContact C-N 3.32Å; R137-K139 PolarHBondContact O-N 3.4Å; R137-A140 WeakPolarHBondContact O-CB 3.42Å; R137-A140 PolarHBondContact O-N 3.24Å
138	I	90	Very high	90.8	Very high	93 Å²	93	45.7 Å²	45.7	48%	0.477	24%	0.242	S	C	.	.	H	α-helix	trans	-65.3	-37.3	178.8	-65.4	163.6	0	0	0	111	L130 E134 Y135	L130-I138 HydrophobicContact CD1-CD1 4.21Å; E134-I138 HydrophobicContact CG-CD1 4.27Å; E134-I138 WeakPolarHBondContact O-CG1 3.5Å; E134-I138 PolarHBondContact O-N 3.01Å; E134-I138 VanDerWaalsContact O-N 3.07Å; Y135-I138 PolarHBondContact O-N 3.42Å
139	K	89.3	Confident	90.8	Very high	31 Å²	31	42.9 Å²	42.9	14%	0.135	23%	0.231	C	C	.	.	H	α-helix	trans	-93.3	6.2	-178	-61.8	-58.3	-175.4	-177.3	0	114.6	Y135 L136 R137 D141 C142 I148 D343	Y135-K139 HydrophobicContact CD1-CG 4.43Å; Y135-K139 HydrophobicContact CE1-CG 3.95Å; Y135-K139 HydrophobicContact CE2-CG 4.15Å; Y135-K139 PolarHBondContact O-N 3.33Å; L136-K139 CarbonylContact O-C 3.34Å; L136-K139 PolarHBondContact O-N 2.93Å; R137-K139 VanDerWaalsContact C-N 3.32Å; R137-K139 PolarHBondContact O-N 3.4Å; K139-D141 PolarHBondContact O-N 3.42Å; K139-C142 PolarHBondContact O-N 3.29Å; K139-C142 VanDerWaalsContact O-N 3.1Å; K139-C142 PolarHBondContact O-SG 3.37Å; K139-I148 HydrophobicContact CB-CD1 4.01Å; K139-I148 HydrophobicContact CD-CD1 4.24Å; K139-I148 HydrophobicContact CG-CD1 4Å; K139-D343 WeakPolarHBondContact CE-OD2 3.41Å; K139-D343 IonicContact NZ-OD1 3.54Å; K139-D343 PolarHBondContact NZ-OD1 3.39Å; K139-D343 IonicContact NZ-OD2 3.41Å; K139-D343 PolarHBondContact NZ-OD2 3.42Å
140	A	82.7	Confident	90.9	Very high	13 Å²	13	42.8 Å²	42.8	11%	0.107	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-33.5	-173.5	0	0	0	0	0	113.7	L136 R137	L136-A140 WeakPolarHBondContact O-CA 3.45Å; L136-A140 WeakPolarHBondContact O-CB 3.32Å; L136-A140 PolarHBondContact O-N 3.42Å; R137-A140 WeakPolarHBondContact O-CB 3.42Å; R137-A140 PolarHBondContact O-N 3.24Å
141	D	77.7	Confident	91	Very high	93 Å²	93	40.8 Å²	40.8	50%	0.497	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	5.8	-178.7	-67.8	-40.9	0	0	0	113.7	M1 W2 K139	M1-D141 PolarHBondContact N-OD1 3.39Å; W2-D141 PolarHBondContact NE1-OD2 3.48Å; K139-D141 PolarHBondContact O-N 3.42Å
142	C	80.6	Confident	91.1	Very high	36 Å²	36	40.2 Å²	40.2	24%	0.243	22%	0.216	C	C	.	.			trans	-73.4	137.9	176.7	78.5	0	0	0	0	110.7	K139 N144 F145 I148	K139-C142 PolarHBondContact O-N 3.29Å; K139-C142 VanDerWaalsContact O-N 3.1Å; K139-C142 PolarHBondContact O-SG 3.37Å; C142-N144 PolarHBondContact O-N 2.63Å; C142-F145 PolarHBondContact O-N 3.47Å; C142-F145 PolarHBondContact SG-N 3.14Å; C142-I148 VanDerWaalsContact SG-CD1 3.51Å
143	G	81.6	Confident	91.2	Very high	83 Å²	83	40.2 Å²	40.2	86%	0.856	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-15.3	177.3	0	0	0	0	0	114
144	N	86.2	Confident	91.4	Very high	51 Å²	51	35 Å²	35	27%	0.273	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	20.1	-172.6	-60.7	-22.2	0	0	0	113.2	C142 N146 L147 I148 S339 P341	C142-N144 PolarHBondContact O-N 2.63Å; N144-N146 VanDerWaalsContact C-N 3.27Å; N144-N146 PolarHBondContact O-N 3.3Å; N144-L147 HydrophobicContact CB-CB 4.44Å; N144-L147 HydrophobicContact CB-CD1 4.24Å; N144-L147 WeakPolarHBondContact O-CB 3.47Å; N144-L147 PolarHBondContact O-N 3.31Å; N144-I148 PolarHBondContact O-N 2.98Å; N144-I148 VanDerWaalsContact O-N 3.1Å; N144-S339 PolarHBondContact ND2-O 3.44Å; N144-S339 PolarHBondContact OD1-O 2.77Å; N144-P341 HydrophobicContact CB-CG 4.13Å
145	F	92.1	Very high	91.7	Very high	19 Å²	19	32.7 Å²	32.7	8%	0.083	19%	0.186	C	C	.	.	H	α-helix	trans	-52.6	-43.7	-176.2	-176	-95.8	0	0	0	112.6	L136 C142 L147 I148 S149 I240 F241	L136-F145 HydrophobicContact CD2-CE2 3.84Å; L136-F145 HydrophobicContact CD2-CZ 4.17Å; C142-F145 PolarHBondContact O-N 3.47Å; C142-F145 PolarHBondContact SG-N 3.14Å; F145-L147 VanDerWaalsContact C-N 3.32Å; F145-L147 PolarHBondContact O-N 3.31Å; F145-I148 WeakPolarHBondContact O-CB 3.38Å; F145-I148 PolarHBondContact O-N 2.97Å; F145-S149 VanDerWaalsContact CE1-OG 3.28Å; F145-S149 WeakPolarHBondContact CE1-OG 3.41Å; F145-S149 PolarHBondContact O-N 3.19Å; F145-S149 PolarHBondContact O-OG 3.39Å; F145-I240 HydrophobicContact CE1-CG2 4.31Å; F145-I240 HydrophobicContact CZ-CG2 4.04Å; F145-F241 HydrophobicContact CD1-CE1 4.32Å; F145-F241 AromaticContact CE1-CD1 3.99Å; F145-F241 HydrophobicContact CE1-CD1 3.99Å; F145-F241 AromaticContact CE1-CE1 3.83Å; F145-F241 HydrophobicContact CE1-CE1 3.83Å
146	N	93.1	Very high	91.9	Very high	87 Å²	87	32.2 Å²	32.2	47%	0.465	18%	0.184	S	C	.	.	H	α-helix	trans	-62.6	-35.7	178	-71.5	-26.2	0	0	0	113.1	N144 S150 F303	N144-N146 VanDerWaalsContact C-N 3.27Å; N144-N146 PolarHBondContact O-N 3.3Å; N146-S150 VanDerWaalsContact O-CB 3.27Å; N146-S150 WeakPolarHBondContact O-CB 3.43Å; N146-S150 PolarHBondContact O-N 2.9Å; N146-S150 PolarHBondContact O-OG 3.13Å; N146-F303 HydrophobicContact CB-CE2 4.22Å; N146-F303 HydrophobicContact CB-CZ 4.37Å
147	L	94.9	Very high	92.2	Very high	39 Å²	39	31.7 Å²	31.7	20%	0.204	18%	0.181	C	C	.	.	H	α-helix	trans	-65.6	-47.3	175.7	-61.7	-175.6	0	0	0	110.1	N144 F145 S149 S150 W151 Y308 F340	N144-L147 HydrophobicContact CB-CB 4.44Å; N144-L147 HydrophobicContact CB-CD1 4.24Å; N144-L147 WeakPolarHBondContact O-CB 3.47Å; N144-L147 PolarHBondContact O-N 3.31Å; F145-L147 VanDerWaalsContact C-N 3.32Å; F145-L147 PolarHBondContact O-N 3.31Å; L147-S149 PolarHBondContact O-N 3.16Å; L147-S150 PolarHBondContact O-N 3.13Å; L147-S150 PolarHBondContact O-OG 3.21Å; L147-W151 PolarHBondContact O-N 3.18Å; L147-Y308 HydrophobicContact CB-CD1 3.66Å; L147-Y308 HydrophobicContact CB-CE1 4.08Å; L147-Y308 HydrophobicContact CB-CG 4.04Å; L147-Y308 HydrophobicContact CD1-CG 4.36Å; L147-Y308 HydrophobicContact CD2-CG 4.49Å; L147-Y308 WeakPolarHBondContact O-CD1 3.15Å; L147-Y308 VanDerWaalsContact O-CE1 3.3Å; L147-Y308 WeakPolarHBondContact O-CE1 3.41Å; L147-F340 HydrophobicContact CD1-CD1 4.5Å
148	I	95.4	Very high	92.6	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.026	18%	0.175	C	C	.	.	H	α-helix	trans	-57.4	-50.1	175.6	-63.5	176.1	0	0	0	110.7	Y135 K139 C142 N144 F145 S150 W151 G152 W187 P341	Y135-I148 HydrophobicContact CE1-CG2 3.78Å; K139-I148 HydrophobicContact CB-CD1 4.01Å; K139-I148 HydrophobicContact CD-CD1 4.24Å; K139-I148 HydrophobicContact CG-CD1 4Å; C142-I148 VanDerWaalsContact SG-CD1 3.51Å; N144-I148 PolarHBondContact O-N 2.98Å; N144-I148 VanDerWaalsContact O-N 3.1Å; F145-I148 WeakPolarHBondContact O-CB 3.38Å; F145-I148 PolarHBondContact O-N 2.97Å; I148-S150 PolarHBondContact O-N 2.96Å; I148-W151 PolarHBondContact O-N 2.9Å; I148-G152 PolarHBondContact O-N 3.27Å; I148-W187 HydrophobicContact CG2-CZ2 4.47Å; I148-P341 HydrophobicContact CD1-CB 4.14Å; I148-P341 HydrophobicContact CD1-CG 4.09Å; I148-P341 HydrophobicContact CG1-CB 4.02Å; I148-P341 HydrophobicContact CG1-CG 3.5Å
149	S	96	Very high	93	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.1	-41.5	179.4	-56.7	0	0	0	0	111.9	F145 L147 G152 I153	F145-S149 VanDerWaalsContact CE1-OG 3.28Å; F145-S149 WeakPolarHBondContact CE1-OG 3.41Å; F145-S149 PolarHBondContact O-N 3.19Å; F145-S149 PolarHBondContact O-OG 3.39Å; L147-S149 PolarHBondContact O-N 3.16Å; S149-G152 PolarHBondContact O-N 3.1Å; S149-I153 WeakPolarHBondContact O-CB 3.16Å; S149-I153 WeakPolarHBondContact O-CD1 3.44Å; S149-I153 WeakPolarHBondContact O-CG1 3.37Å; S149-I153 PolarHBondContact O-N 3.49Å
150	S	97.4	Very high	93.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.3	-49	178.7	70.8	0	0	0	0	111.2	N146 L147 I148 G152 I153 H154 L304 N306 V309	N146-S150 VanDerWaalsContact O-CB 3.27Å; N146-S150 WeakPolarHBondContact O-CB 3.43Å; N146-S150 PolarHBondContact O-N 2.9Å; N146-S150 PolarHBondContact O-OG 3.13Å; L147-S150 PolarHBondContact O-N 3.13Å; L147-S150 PolarHBondContact O-OG 3.21Å; I148-S150 PolarHBondContact O-N 2.96Å; S150-G152 PolarHBondContact O-N 3.43Å; S150-I153 PolarHBondContact O-N 3.05Å; S150-H154 VanDerWaalsContact O-CB 3.28Å; S150-H154 WeakPolarHBondContact O-CB 3.05Å; S150-H154 PolarHBondContact O-N 3.01Å; S150-L304 WeakPolarHBondContact O-CD2 3.39Å; S150-N306 WeakPolarHBondContact CB-ND2 3.24Å; S150-N306 PolarHBondContact OG-ND2 3.43Å; S150-V309 WeakPolarHBondContact OG-CG2 3.44Å
151	W	97.5	Very high	94.2	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.008	15%	0.149	C	C	.	.	H	α-helix	trans	-64.6	-42.4	177.9	-178.1	-118.1	0	0	0	112.5	L147 I148 H154 Q155 Y308 V309 L312 L313 E316	L147-W151 PolarHBondContact O-N 3.18Å; I148-W151 PolarHBondContact O-N 2.9Å; W151-H154 AromaticContact CE3-ND1 3.81Å; W151-H154 AromaticContact CZ3-CE1 3.69Å; W151-H154 AromaticContact CZ3-ND1 3.42Å; W151-H154 WeakPolarHBondContact CZ3-ND1 3.37Å; W151-H154 WeakPolarHBondContact O-CB 3.34Å; W151-H154 PolarHBondContact O-N 2.98Å; W151-Q155 HydrophobicContact CD2-CG 4.19Å; W151-Q155 VanDerWaalsContact CE2-CD 3.41Å; W151-Q155 VanDerWaalsContact CE2-NE2 3.25Å; W151-Q155 HydrophobicContact CH2-CG 4.41Å; W151-Q155 HydrophobicContact CZ2-CG 3.88Å; W151-Q155 WeakPolarHBondContact O-CB 3.29Å; W151-Q155 VanDerWaalsContact O-CG 3.31Å; W151-Q155 WeakPolarHBondContact O-CG 3.4Å; W151-Q155 PolarHBondContact O-N 3.32Å; W151-Y308 HydrophobicContact CB-CD1 4.12Å; W151-Y308 HydrophobicContact CB-CE1 3.52Å; W151-Y308 HydrophobicContact CG-CE1 4.11Å; W151-V309 HydrophobicContact CE3-CB 4.37Å; W151-V309 HydrophobicContact CE3-CG1 3.99Å; W151-V309 HydrophobicContact CE3-CG2 4.27Å; W151-V309 HydrophobicContact CZ3-CG1 4.11Å; W151-L312 HydrophobicContact CB-CD1 4.44Å; W151-L312 HydrophobicContact CD2-CB 4.25Å; W151-L312 HydrophobicContact CD2-CD1 3.49Å; W151-L312 VanDerWaalsContact CD2-CD1 3.49Å; W151-L312 HydrophobicContact CE3-CB 4.11Å; W151-L312 HydrophobicContact CE3-CD1 4.05Å; W151-L312 HydrophobicContact CG-CD1 3.64Å; W151-L312 HydrophobicContact CH2-CB 3.79Å; W151-L312 HydrophobicContact CZ2-CB 3.93Å; W151-L312 HydrophobicContact CZ2-CD1 4.18Å; W151-L312 HydrophobicContact CZ3-CB 3.88Å; W151-L313 HydrophobicContact CH2-CD2 4.14Å; W151-L313 HydrophobicContact CZ3-CD2 4.15Å; W151-L313 HydrophobicContact CZ3-CG 4.31Å; W151-E316 VanDerWaalsContact CH2-OE1 3.3Å; W151-E316 WeakPolarHBondContact CH2-OE1 3.19Å; W151-E316 VanDerWaalsContact CZ2-OE1 3.24Å; W151-E316 WeakPolarHBondContact CZ2-OE1 3.3Å
152	G	98.1	Very high	95.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.8	-47.9	176.8	0	0	0	0	0	113.7	I148 S149 S150 H154 Q155 I156 W187	I148-G152 PolarHBondContact O-N 3.27Å; S149-G152 PolarHBondContact O-N 3.1Å; S150-G152 PolarHBondContact O-N 3.43Å; G152-H154 VanDerWaalsContact C-N 3.35Å; G152-H154 PolarHBondContact O-N 2.76Å; G152-Q155 PolarHBondContact O-N 3.07Å; G152-I156 WeakPolarHBondContact O-CG1 3.32Å; G152-I156 PolarHBondContact O-N 2.99Å; G152-W187 VanDerWaalsContact CA-CE2 3.49Å; G152-W187 VanDerWaalsContact CA-CG 3.46Å
153	I	98.8	Very high	96.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.9	-43.2	177.2	-69.7	163.2	0	0	0	110.5	S149 S150 Q155 I156 A157 I237 I240 F241 L266 F291 F303 L304	S149-I153 WeakPolarHBondContact O-CB 3.16Å; S149-I153 WeakPolarHBondContact O-CD1 3.44Å; S149-I153 WeakPolarHBondContact O-CG1 3.37Å; S149-I153 PolarHBondContact O-N 3.49Å; S150-I153 PolarHBondContact O-N 3.05Å; I153-Q155 VanDerWaalsContact C-N 3.32Å; I153-Q155 PolarHBondContact O-N 2.68Å; I153-I156 PolarHBondContact O-N 3.27Å; I153-A157 VanDerWaalsContact O-CB 3.31Å; I153-A157 WeakPolarHBondContact O-CB 3.39Å; I153-A157 PolarHBondContact O-N 2.88Å; I153-I237 HydrophobicContact CD1-CG1 4Å; I153-I237 HydrophobicContact CG1-CG1 4.25Å; I153-I237 HydrophobicContact CG2-CD1 4.31Å; I153-I237 HydrophobicContact CG2-CG1 4.43Å; I153-I240 HydrophobicContact CD1-CD1 4.3Å; I153-I240 HydrophobicContact CG1-CD1 3.99Å; I153-F241 HydrophobicContact CD1-CE2 4.19Å; I153-L266 HydrophobicContact CD1-CD2 4.15Å; I153-F291 HydrophobicContact CG2-CE1 3.81Å; I153-F291 HydrophobicContact CG2-CZ 3.86Å; I153-F303 HydrophobicContact CD1-CE1 4.21Å; I153-L304 HydrophobicContact CB-CD2 4.39Å; I153-L304 HydrophobicContact CG2-CD1 4.43Å; I153-L304 HydrophobicContact CG2-CD2 4.38Å
154	H	98.7	Very high	96.9	Very high	6 Å²	6	17.3 Å²	17.3	3%	0.028	9%	0.086	C	C	.	.	H	α-helix	trans	-56.5	-45.8	175	171.7	-88.3	0	0	0	111.6	S150 W151 G152 A157 K158 L304	S150-H154 VanDerWaalsContact O-CB 3.28Å; S150-H154 WeakPolarHBondContact O-CB 3.05Å; S150-H154 PolarHBondContact O-N 3.01Å; W151-H154 AromaticContact CE3-ND1 3.81Å; W151-H154 AromaticContact CZ3-CE1 3.69Å; W151-H154 AromaticContact CZ3-ND1 3.42Å; W151-H154 WeakPolarHBondContact CZ3-ND1 3.37Å; W151-H154 WeakPolarHBondContact O-CB 3.34Å; W151-H154 PolarHBondContact O-N 2.98Å; G152-H154 VanDerWaalsContact C-N 3.35Å; G152-H154 PolarHBondContact O-N 2.76Å; H154-A157 PolarHBondContact O-N 2.84Å; H154-K158 VanDerWaalsContact CE1-CD 3.44Å; H154-K158 WeakPolarHBondContact CE1-CD 3.17Å; H154-K158 PolarHBondContact O-N 2.9Å; H154-L304 HydrophobicContact CB-CD1 4.08Å
155	Q	98.7	Very high	97.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-65.9	-42.9	179.6	-76.5	-175.6	-40.9	0	0	113.2	N103 W151 G152 I153 A157 K158 A159 W187	N103-Q155 HydrophobicContact CB-CB 4.34Å; N103-Q155 VanDerWaalsContact CB-O 3.29Å; N103-Q155 WeakPolarHBondContact CB-O 3.41Å; N103-Q155 WeakPolarHBondContact ND2-CB 3.28Å; N103-Q155 VanDerWaalsContact ND2-CG 3.31Å; N103-Q155 WeakPolarHBondContact ND2-CG 3.4Å; N103-Q155 PolarHBondContact ND2-NE2 3.25Å; W151-Q155 HydrophobicContact CD2-CG 4.19Å; W151-Q155 VanDerWaalsContact CE2-CD 3.41Å; W151-Q155 VanDerWaalsContact CE2-NE2 3.25Å; W151-Q155 HydrophobicContact CH2-CG 4.41Å; W151-Q155 HydrophobicContact CZ2-CG 3.88Å; W151-Q155 WeakPolarHBondContact O-CB 3.29Å; W151-Q155 VanDerWaalsContact O-CG 3.31Å; W151-Q155 WeakPolarHBondContact O-CG 3.4Å; W151-Q155 PolarHBondContact O-N 3.32Å; G152-Q155 PolarHBondContact O-N 3.07Å; I153-Q155 VanDerWaalsContact C-N 3.32Å; I153-Q155 PolarHBondContact O-N 2.68Å; Q155-A157 VanDerWaalsContact C-N 3.35Å; Q155-K158 PolarHBondContact O-N 3.45Å; Q155-A159 PolarHBondContact O-N 3.35Å; Q155-W187 HydrophobicContact CB-CB 4.34Å
156	I	98.8	Very high	97.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-67.5	-37.8	175.7	-62.3	-55.2	0	0	0	111.1	G152 I153 K158 A159 L160 V179 W187 L189 L233 L236	G152-I156 WeakPolarHBondContact O-CG1 3.32Å; G152-I156 PolarHBondContact O-N 2.99Å; I153-I156 PolarHBondContact O-N 3.27Å; I156-K158 PolarHBondContact O-N 3.47Å; I156-A159 PolarHBondContact O-N 3.36Å; I156-L160 HydrophobicContact CG2-CD1 4.01Å; I156-L160 HydrophobicContact CG2-CG 4.31Å; I156-L160 WeakPolarHBondContact O-CG 3.27Å; I156-L160 PolarHBondContact O-N 2.96Å; I156-V179 HydrophobicContact CD1-CB 4.46Å; I156-V179 HydrophobicContact CD1-CG1 3.74Å; I156-V179 HydrophobicContact CD1-CG2 3.9Å; I156-V179 HydrophobicContact CG1-CG1 4.14Å; I156-V179 HydrophobicContact CG1-CG2 4.14Å; I156-W187 HydrophobicContact CD1-CB 4.02Å; I156-W187 HydrophobicContact CG1-CB 4.13Å; I156-W187 HydrophobicContact CG1-CE3 3.95Å; I156-L189 HydrophobicContact CD1-CB 4.22Å; I156-L233 HydrophobicContact CG2-CD1 4.23Å; I156-L236 HydrophobicContact CG2-CD2 3.96Å
157	A	98.8	Very high	97.7	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.9	-44.4	172.8	0	0	0	0	0	111.6	I153 H154 Q155 A159 L160 I161 L233 V288 L292	I153-A157 VanDerWaalsContact O-CB 3.31Å; I153-A157 WeakPolarHBondContact O-CB 3.39Å; I153-A157 PolarHBondContact O-N 2.88Å; H154-A157 PolarHBondContact O-N 2.84Å; Q155-A157 VanDerWaalsContact C-N 3.35Å; A157-A159 PolarHBondContact O-N 3.11Å; A157-L160 PolarHBondContact O-N 3.05Å; A157-I161 WeakPolarHBondContact O-CB 3.43Å; A157-I161 WeakPolarHBondContact O-CD1 3.35Å; A157-I161 VanDerWaalsContact O-CG1 3.23Å; A157-I161 WeakPolarHBondContact O-CG1 3.41Å; A157-I161 PolarHBondContact O-N 2.84Å; A157-L233 HydrophobicContact CB-CD2 4.39Å; A157-V288 HydrophobicContact CB-CG1 3.79Å; A157-V288 WeakPolarHBondContact O-CG1 3.43Å; A157-L292 HydrophobicContact CB-CB 4.4Å; A157-L292 HydrophobicContact CB-CD1 4.04Å; A157-L292 HydrophobicContact CB-CD2 4.42Å
158	K	98.5	Very high	97.8	Very high	65 Å²	65	24.3 Å²	24.3	28%	0.283	13%	0.125	S	C	.	.	H	α-helix	trans	-60.2	-43.2	174.2	-72.2	-176	79.8	176.3	0	112.4	H154 Q155 I156 L160 I161 F162 L292 E316	H154-K158 VanDerWaalsContact CE1-CD 3.44Å; H154-K158 WeakPolarHBondContact CE1-CD 3.17Å; H154-K158 PolarHBondContact O-N 2.9Å; Q155-K158 PolarHBondContact O-N 3.45Å; I156-K158 PolarHBondContact O-N 3.47Å; K158-L160 PolarHBondContact O-N 3.24Å; K158-I161 PolarHBondContact O-N 2.66Å; K158-F162 PolarHBondContact O-N 3.37Å; K158-L292 HydrophobicContact CG-CD2 4.09Å; K158-E316 IonicContact NZ-OE2 2.8Å
159	A	98.7	Very high	97.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.9	-42.1	177.1	0	0	0	0	0	112.6	N103 M104 Q155 I156 A157 L163 L189	N103-A159 HydrophobicContact CB-CB 3.88Å; N103-A159 WeakPolarHBondContact O-CB 3.49Å; M104-A159 HydrophobicContact CG-CB 4.39Å; Q155-A159 PolarHBondContact O-N 3.35Å; I156-A159 PolarHBondContact O-N 3.36Å; A157-A159 PolarHBondContact O-N 3.11Å; A159-L163 PolarHBondContact O-N 3.46Å; A159-L189 HydrophobicContact CB-CB 4.13Å; A159-L189 HydrophobicContact CB-CD2 4.36Å
160	L	98.8	Very high	98	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-71	-39.9	178.5	-69.9	174.5	0	0	0	111.9	I156 A157 K158 F162 L163 N164 H171 V174 L189 D229 L233 V288	I156-L160 HydrophobicContact CG2-CD1 4.01Å; I156-L160 HydrophobicContact CG2-CG 4.31Å; I156-L160 WeakPolarHBondContact O-CG 3.27Å; I156-L160 PolarHBondContact O-N 2.96Å; A157-L160 PolarHBondContact O-N 3.05Å; K158-L160 PolarHBondContact O-N 3.24Å; L160-F162 VanDerWaalsContact C-N 3.35Å; L160-F162 PolarHBondContact O-N 2.79Å; L160-L163 PolarHBondContact O-N 2.86Å; L160-L163 VanDerWaalsContact O-N 3.1Å; L160-N164 VanDerWaalsContact O-CB 3.3Å; L160-N164 WeakPolarHBondContact O-CB 3.4Å; L160-N164 PolarHBondContact O-N 2.99Å; L160-N164 PolarHBondContact O-OD1 3.16Å; L160-H171 HydrophobicContact CD2-CB 4.12Å; L160-V174 HydrophobicContact CD1-CG1 4.22Å; L160-V174 HydrophobicContact CD1-CG2 4.1Å; L160-V174 HydrophobicContact CD2-CG2 3.64Å; L160-V174 HydrophobicContact CG-CG2 4.49Å; L160-L189 HydrophobicContact CD2-CD2 3.6Å; L160-L189 HydrophobicContact CG-CD2 4.26Å; L160-D229 HydrophobicContact CD2-CB 4.15Å; L160-L233 HydrophobicContact CD1-CB 4.15Å; L160-L233 HydrophobicContact CD1-CD1 4.46Å; L160-V288 HydrophobicContact CB-CB 4.42Å; L160-V288 HydrophobicContact CB-CG1 4.04Å; L160-V288 HydrophobicContact CB-CG2 4.1Å; L160-V288 HydrophobicContact CD1-CG2 4.27Å
161	I	98.7	Very high	98	Very high	31 Å²	31	25.3 Å²	25.3	16%	0.159	13%	0.131	C	C	.	.	H	α-helix	trans	-57.8	-48.6	173	-70.9	162.8	0	0	0	110.3	A157 K158 L163 N164 D165 V288 L292	A157-I161 WeakPolarHBondContact O-CB 3.43Å; A157-I161 WeakPolarHBondContact O-CD1 3.35Å; A157-I161 VanDerWaalsContact O-CG1 3.23Å; A157-I161 WeakPolarHBondContact O-CG1 3.41Å; A157-I161 PolarHBondContact O-N 2.84Å; K158-I161 PolarHBondContact O-N 2.66Å; I161-L163 VanDerWaalsContact C-N 3.28Å; I161-L163 PolarHBondContact O-N 3.3Å; I161-N164 PolarHBondContact O-N 3.33Å; I161-D165 HydrophobicContact CG2-CB 4.39Å; I161-D165 WeakPolarHBondContact O-CA 3.32Å; I161-D165 VanDerWaalsContact O-CB 3.27Å; I161-D165 WeakPolarHBondContact O-CB 3.33Å; I161-D165 PolarHBondContact O-N 3.37Å; I161-V288 HydrophobicContact CD1-CG1 4.29Å; I161-V288 HydrophobicContact CG1-CB 4.08Å; I161-V288 HydrophobicContact CG1-CG1 3.87Å; I161-L292 HydrophobicContact CD1-CB 3.97Å; I161-L292 HydrophobicContact CD1-CD2 3.44Å; I161-L292 VanDerWaalsContact CD1-CD2 3.44Å; I161-L292 HydrophobicContact CD1-CG 4.35Å
162	F	98.2	Very high	97.9	Very high	45 Å²	45	25.4 Å²	25.4	20%	0.197	13%	0.132	C	C	.	.	I	π-helix	trans	-55.3	-44.3	173.9	165.1	-103.6	0	0	0	111.9	L99 H101 M104 K158 L160 D166 G167	L99-F162 HydrophobicContact CD2-CE1 4.32Å; H101-F162 HydrophobicContact CB-CD1 3.65Å; H101-F162 HydrophobicContact CB-CE1 3.81Å; H101-F162 HydrophobicContact CB-CG 4.07Å; H101-F162 HydrophobicContact CB-CZ 4.35Å; H101-F162 AromaticContact CD2-CG 3.65Å; H101-F162 AromaticContact CG-CD1 3.92Å; H101-F162 AromaticContact CG-CG 3.95Å; M104-F162 HydrophobicContact SD-CD1 3.93Å; M104-F162 HydrophobicContact SD-CE1 3.79Å; K158-F162 PolarHBondContact O-N 3.37Å; L160-F162 VanDerWaalsContact C-N 3.35Å; L160-F162 PolarHBondContact O-N 2.79Å; F162-D166 HydrophobicContact CD2-CB 4.15Å; F162-D166 VanDerWaalsContact O-CB 3.32Å; F162-D166 WeakPolarHBondContact O-CB 3.46Å; F162-D166 PolarHBondContact O-N 3.11Å; F162-G167 PolarHBondContact O-N 2.97Å
163	L	98.3	Very high	97.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.134	C	C	.	.	I	π-helix	trans	-69	-47.7	-178.6	-168.9	65.6	0	0	0	112.6	L99 A159 L160 I161 G167 K168 L169 H171	L99-L163 HydrophobicContact CD1-CD1 3.78Å; L99-L163 HydrophobicContact CD2-CD1 4.24Å; A159-L163 PolarHBondContact O-N 3.46Å; L160-L163 PolarHBondContact O-N 2.86Å; L160-L163 VanDerWaalsContact O-N 3.1Å; I161-L163 VanDerWaalsContact C-N 3.28Å; I161-L163 PolarHBondContact O-N 3.3Å; L163-G167 CarbonylContact O-C 3.43Å; L163-G167 VanDerWaalsContact O-CA 3.27Å; L163-G167 WeakPolarHBondContact O-CA 3.48Å; L163-G167 PolarHBondContact O-N 3.4Å; L163-K168 PolarHBondContact O-N 3.49Å; L163-K168 VanDerWaalsContact O-N 3.14Å; L163-L169 CarbonylContact C-O 3.49Å; L163-L169 VanDerWaalsContact C-O 3.25Å; L163-L169 HydrophobicContact CD1-CB 3.74Å; L163-L169 HydrophobicContact CD1-CD1 4.21Å; L163-L169 HydrophobicContact CG-CB 3.98Å; L163-L169 PolarHBondContact O-N 2.93Å; L163-H171 HydrophobicContact CD2-CB 3.72Å
164	N	98.2	Very high	97.7	Very high	14 Å²	14	25.8 Å²	25.8	8%	0.075	14%	0.135	C	C	.	.	I	π-helix	trans	-75.9	-49.1	-174.7	-62.5	134.6	0	0	0	112.3	L160 I161 K168 L169 V198 D229	L160-N164 VanDerWaalsContact O-CB 3.3Å; L160-N164 WeakPolarHBondContact O-CB 3.4Å; L160-N164 PolarHBondContact O-N 2.99Å; L160-N164 PolarHBondContact O-OD1 3.16Å; I161-N164 PolarHBondContact O-N 3.33Å; N164-K168 WeakPolarHBondContact O-CA 3.09Å; N164-K168 PolarHBondContact O-N 3.36Å; N164-L169 WeakPolarHBondContact CA-O 3.24Å; N164-L169 PolarHBondContact N-O 3.06Å; N164-L169 PolarHBondContact ND2-O 3.43Å; N164-V198 HydrophobicContact CB-CG2 4.01Å; N164-D229 PolarHBondContact ND2-OD2 3.46Å
165	D	97.6	Very high	97.5	Very high	62 Å²	62	26.2 Å²	26.2	33%	0.332	14%	0.136	S	C	.	.	I	π-helix	trans	-88	-46.4	-170.5	-62.7	-9.6	0	0	0	110.7	I161 K168	I161-D165 HydrophobicContact CG2-CB 4.39Å; I161-D165 WeakPolarHBondContact O-CA 3.32Å; I161-D165 VanDerWaalsContact O-CB 3.27Å; I161-D165 WeakPolarHBondContact O-CB 3.33Å; I161-D165 PolarHBondContact O-N 3.37Å; D165-K168 WeakPolarHBondContact O-CD 3.39Å; D165-K168 WeakPolarHBondContact O-CE 3.07Å; D165-K168 PolarHBondContact O-NZ 3.3Å
166	D	96.3	Very high	97.3	Very high	120 Å²	120	26.7 Å²	26.7	64%	0.642	14%	0.139	S	C	*	.	I	π-helix	trans	-87	-45.9	-178.9	-53.1	-34.5	0	0	0	111.5	F162	F162-D166 HydrophobicContact CD2-CB 4.15Å; F162-D166 VanDerWaalsContact O-CB 3.32Å; F162-D166 WeakPolarHBondContact O-CB 3.46Å; F162-D166 PolarHBondContact O-N 3.11Å
167	G	95.9	Very high	97	Very high	32 Å²	32	27.9 Å²	27.9	33%	0.33	15%	0.145	S	C	.	.	S	Bend	trans	-77.2	-19.3	-178.2	0	0	0	0	0	114.4	F162 L163 L169	F162-G167 PolarHBondContact O-N 2.97Å; L163-G167 CarbonylContact O-C 3.43Å; L163-G167 VanDerWaalsContact O-CA 3.27Å; L163-G167 WeakPolarHBondContact O-CA 3.48Å; L163-G167 PolarHBondContact O-N 3.4Å; G167-L169 WeakPolarHBondContact O-CG 3.37Å; G167-L169 PolarHBondContact O-N 3.47Å
168	K	97.2	Very high	96.8	Very high	128 Å²	128	28 Å²	28	56%	0.557	15%	0.146	S	C	*	.			trans	53	31	-169.4	-53.4	-53.8	-174.9	-163.4	0	113.1	L163 N164 D165 V198	L163-K168 PolarHBondContact O-N 3.49Å; L163-K168 VanDerWaalsContact O-N 3.14Å; N164-K168 WeakPolarHBondContact O-CA 3.09Å; N164-K168 PolarHBondContact O-N 3.36Å; D165-K168 WeakPolarHBondContact O-CD 3.39Å; D165-K168 WeakPolarHBondContact O-CE 3.07Å; D165-K168 PolarHBondContact O-NZ 3.3Å; K168-V198 HydrophobicContact CB-CG1 4.39Å; K168-V198 WeakPolarHBondContact O-CG1 3.32Å; K168-V198 PolarHBondContact O-N 3.31Å
169	L	97.5	Very high	96.8	Very high	24 Å²	24	24.9 Å²	24.9	13%	0.126	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	155.3	179.9	-66	165.3	0	0	0	110.4	W95 L99 L163 N164 G167 V195 G196	W95-L169 HydrophobicContact CE3-CD1 4.14Å; W95-L169 HydrophobicContact CH2-CD1 3.46Å; W95-L169 VanDerWaalsContact CH2-CD1 3.46Å; W95-L169 HydrophobicContact CH2-CD2 3.98Å; W95-L169 HydrophobicContact CH2-CG 4.38Å; W95-L169 HydrophobicContact CZ2-CD1 4.25Å; W95-L169 HydrophobicContact CZ2-CD2 4.27Å; W95-L169 HydrophobicContact CZ3-CD1 3.4Å; L99-L169 HydrophobicContact CD2-CD1 4.39Å; L163-L169 CarbonylContact C-O 3.49Å; L163-L169 VanDerWaalsContact C-O 3.25Å; L163-L169 HydrophobicContact CD1-CB 3.74Å; L163-L169 HydrophobicContact CD1-CD1 4.21Å; L163-L169 HydrophobicContact CG-CB 3.98Å; L163-L169 PolarHBondContact O-N 2.93Å; N164-L169 WeakPolarHBondContact CA-O 3.24Å; N164-L169 PolarHBondContact N-O 3.06Å; N164-L169 PolarHBondContact ND2-O 3.43Å; G167-L169 WeakPolarHBondContact O-CG 3.37Å; G167-L169 PolarHBondContact O-N 3.47Å; L169-V195 HydrophobicContact CB-CG1 4.09Å; L169-V195 HydrophobicContact CD1-CG1 4.08Å; L169-V195 HydrophobicContact CD2-CG1 4.15Å; L169-V195 HydrophobicContact CG-CG1 4.32Å; L169-G196 CarbonylContact C-O 3.53Å; L169-G196 WeakPolarHBondContact CA-O 3.15Å; L169-G196 WeakPolarHBondContact CD2-O 3.38Å
170	A	97.5	Very high	96.8	Very high	3 Å²	3	25 Å²	25	3%	0.025	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	142	168.2	0	0	0	0	0	110.1	N172 V195 G196 V198 D229	A170-N172 WeakPolarHBondContact CB-OD1 3.22Å; A170-N172 PolarHBondContact O-ND2 2.94Å; A170-V195 VanDerWaalsContact O-CA 3.3Å; A170-V195 WeakPolarHBondContact O-CA 3.47Å; A170-G196 PolarHBondContact N-O 3.43Å; A170-G196 PolarHBondContact O-N 3.09Å; A170-G196 VanDerWaalsContact O-N 3.13Å; A170-V198 HydrophobicContact CB-CB 4.43Å; A170-V198 HydrophobicContact CB-CG2 4.37Å; A170-D229 WeakPolarHBondContact CA-OD2 3.27Å
171	H	97.3	Very high	96.8	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.			trans	-69.3	-36.3	174.6	-175.9	-94.3	0	0	0	111.4	L160 L163 A173 V174 L189 G190 A191 D229	L160-H171 HydrophobicContact CD2-CB 4.12Å; L163-H171 HydrophobicContact CD2-CB 3.72Å; H171-A173 PolarHBondContact CE1-O 2.77Å; H171-A173 PolarHBondContact ND1-N 3.49Å; H171-A173 PolarHBondContact O-N 3.37Å; H171-V174 HydrophobicContact CB-CG2 3.86Å; H171-V174 PolarHBondContact ND1-N 2.84Å; H171-L189 HydrophobicContact CB-CD2 4.45Å; H171-G190 PolarHBondContact NE2-O 2.91Å; H171-A191 PolarHBondContact NE2-O 3.17Å; H171-D229 WeakPolarHBondContact CB-OD1 3.36Å; H171-D229 VanDerWaalsContact N-CG 3.33Å; H171-D229 PolarHBondContact N-OD1 3.28Å; H171-D229 VanDerWaalsContact N-OD1 3.13Å; H171-D229 PolarHBondContact N-OD2 2.93Å
172	N	96.1	Very high	96.7	Very high	3 Å²	3	24 Å²	24	2%	0.016	13%	0.128	C	C	.	.	S	Bend	trans	63.7	-2.4	176.8	-61.7	-50.4	0	0	0	116.4	A170 F194 P202 P203 R206 D229	A170-N172 WeakPolarHBondContact CB-OD1 3.22Å; A170-N172 PolarHBondContact O-ND2 2.94Å; N172-F194 HydrophobicContact CB-CB 4.19Å; N172-F194 WeakPolarHBondContact CB-O 3.36Å; N172-F194 PolarHBondContact ND2-O 3.49Å; N172-P202 HydrophobicContact CB-CB 3.99Å; N172-P202 HydrophobicContact CB-CG 4.22Å; N172-P203 WeakPolarHBondContact ND2-CD 3.29Å; N172-R206 WeakPolarHBondContact O-CD 3.37Å; N172-R206 PolarHBondContact O-NE 3.31Å; N172-D229 PolarHBondContact N-OD1 2.88Å
173	A	94.6	Very high	96.4	Very high	6 Å²	6	25.1 Å²	25.1	5%	0.05	14%	0.139	C	C	.	.			trans	-143	36.9	179.9	0	0	0	0	0	113.7	H171 R175 F194 F211	H171-A173 PolarHBondContact CE1-O 2.77Å; H171-A173 PolarHBondContact ND1-N 3.49Å; H171-A173 PolarHBondContact O-N 3.37Å; A173-R175 PolarHBondContact O-N 3.46Å; A173-R175 VanDerWaalsContact O-N 3.16Å; A173-F194 HydrophobicContact CB-CD2 3.6Å; A173-F194 HydrophobicContact CB-CE2 4.34Å; A173-F194 HydrophobicContact CB-CG 4.48Å; A173-F211 HydrophobicContact CB-CZ 3.98Å
174	V	97.1	Very high	96.2	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.018	14%	0.144	C	C	.	.			trans	-65.3	112.2	179.3	-176.4	0	0	0	0	110.2	L160 H171 D229 L236	L160-V174 HydrophobicContact CD1-CG1 4.22Å; L160-V174 HydrophobicContact CD1-CG2 4.1Å; L160-V174 HydrophobicContact CD2-CG2 3.64Å; L160-V174 HydrophobicContact CG-CG2 4.49Å; H171-V174 HydrophobicContact CB-CG2 3.86Å; H171-V174 PolarHBondContact ND1-N 2.84Å; V174-D229 HydrophobicContact CG2-CB 4.35Å; V174-L236 HydrophobicContact CG1-CB 4.31Å; V174-L236 HydrophobicContact CG1-CD2 4.08Å
175	R	94.5	Very high	95.9	Very high	14 Å²	14	25.2 Å²	25.2	5%	0.053	14%	0.142	C	C	.	.	S	Bend	trans	-156.3	172.3	-177.1	-58.5	-171.3	-64.2	108	8.5	111.1	A173 D177 S178 F211 Y220 E239	A173-R175 PolarHBondContact O-N 3.46Å; A173-R175 VanDerWaalsContact O-N 3.16Å; R175-D177 IonicContact CZ-OD2 2.83Å; R175-D177 IonicContact NH1-OD2 2.74Å; R175-D177 PolarHBondContact NH1-OD2 3.3Å; R175-D177 IonicContact NH2-OD2 3.27Å; R175-D177 PolarHBondContact O-N 3.46Å; R175-S178 PolarHBondContact N-OG 3.01Å; R175-S178 PolarHBondContact O-N 3.23Å; R175-S178 PolarHBondContact O-OG 3.23Å; R175-F211 VanDerWaalsContact CZ-CD1 3.44Å; R175-F211 VanDerWaalsContact CZ-CG 3.44Å; R175-F211 VanDerWaalsContact NH2-CE1 3.34Å; R175-Y220 HydrophobicContact CB-CE1 4.31Å; R175-Y220 VanDerWaalsContact CD-CG 3.48Å; R175-Y220 HydrophobicContact CG-CD1 3.42Å; R175-Y220 VanDerWaalsContact CG-CD1 3.42Å; R175-Y220 HydrophobicContact CG-CE1 3.53Å; R175-Y220 HydrophobicContact CG-CG 4.04Å; R175-E239 WeakPolarHBondContact CA-OE2 3.16Å
176	L	94.9	Very high	95.9	Very high	11 Å²	11	24.2 Å²	24.2	6%	0.058	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-50.8	-40.7	173.8	-79.7	-179.3	0	0	0	113.5	L132 L136 S178 V179 L236 E239 I240	L132-L176 HydrophobicContact CD2-CD2 3.59Å; L132-L176 HydrophobicContact CG-CD2 3.91Å; L136-L176 HydrophobicContact CD1-CD2 3.88Å; L176-S178 PolarHBondContact O-N 3.37Å; L176-V179 PolarHBondContact O-N 3.1Å; L176-L236 HydrophobicContact CD2-CD1 3.88Å; L176-L236 HydrophobicContact CG-CD1 4.29Å; L176-E239 HydrophobicContact CD1-CB 3.62Å; L176-E239 HydrophobicContact CD1-CG 4.37Å; L176-E239 HydrophobicContact CD2-CB 4.28Å; L176-E239 HydrophobicContact CG-CB 3.55Å; L176-E239 HydrophobicContact CG-CG 4.28Å; L176-E239 PolarHBondContact N-OE2 2.98Å; L176-I240 HydrophobicContact CD2-CG1 4.12Å
177	D	92.7	Very high	96	Very high	25 Å²	25	18.5 Å²	18.5	13%	0.134	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-72.6	-15	-177.5	-55	-39.1	0	0	0	113.3	I44 R133 R175	I44-D177 HydrophobicContact CG2-CB 4.28Å; R133-D177 IonicContact CZ-OD1 3.87Å; R133-D177 IonicContact NH1-OD1 3.99Å; R133-D177 PolarHBondContact NH1-OD1 3.24Å; R133-D177 IonicContact NH2-OD1 2.82Å; R175-D177 IonicContact CZ-OD2 2.83Å; R175-D177 IonicContact NH1-OD2 2.74Å; R175-D177 PolarHBondContact NH1-OD2 3.3Å; R175-D177 IonicContact NH2-OD2 3.27Å; R175-D177 PolarHBondContact O-N 3.46Å
178	S	95.4	Very high	96.1	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.014	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-88.7	-7.6	177.2	68.8	0	0	0	0	113.3	R175 L176 G190	R175-S178 PolarHBondContact N-OG 3.01Å; R175-S178 PolarHBondContact O-N 3.23Å; R175-S178 PolarHBondContact O-OG 3.23Å; L176-S178 PolarHBondContact O-N 3.37Å; S178-G190 CarbonylContact O-C 3.59Å; S178-G190 PolarHBondContact O-N 3.44Å
179	V	98.3	Very high	96.2	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	136.6	-175.9	-177.4	0	0	0	0	110.7	L132 I156 L176 W187 L189 L236	L132-V179 HydrophobicContact CB-CB 3.85Å; L132-V179 HydrophobicContact CB-CG1 3.96Å; L132-V179 WeakPolarHBondContact CB-O 3.31Å; L132-V179 HydrophobicContact CD2-CB 3.68Å; L132-V179 HydrophobicContact CD2-CG1 3.71Å; L132-V179 HydrophobicContact CD2-CG2 4.3Å; L132-V179 HydrophobicContact CG-CB 4.37Å; L132-V179 HydrophobicContact CG-CG1 4.28Å; L132-V179 PolarHBondContact N-O 3.31Å; I156-V179 HydrophobicContact CD1-CB 4.46Å; I156-V179 HydrophobicContact CD1-CG1 3.74Å; I156-V179 HydrophobicContact CD1-CG2 3.9Å; I156-V179 HydrophobicContact CG1-CG1 4.14Å; I156-V179 HydrophobicContact CG1-CG2 4.14Å; L176-V179 PolarHBondContact O-N 3.1Å; V179-W187 HydrophobicContact CG1-CB 4.08Å; V179-W187 HydrophobicContact CG1-CD2 4.21Å; V179-W187 HydrophobicContact CG1-CE3 3.85Å; V179-W187 HydrophobicContact CG1-CG 4.35Å; V179-L189 HydrophobicContact CG2-CD1 4.5Å; V179-L236 HydrophobicContact CG2-CD1 4.37Å; V179-L236 HydrophobicContact CG2-CD2 3.97Å
180	F	98.1	Very high	96.1	Very high	1 Å²	1	10.5 Å²	10.5	0%	0.004	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	151	178.6	-54.8	-87.4	0	0	0	109.6	I44 I54 F69 L105 V129 L130 W187 K188	I44-F180 HydrophobicContact CD1-CE1 4.35Å; I44-F180 HydrophobicContact CD1-CZ 3.83Å; I54-F180 HydrophobicContact CD1-CE1 3.79Å; F69-F180 HydrophobicContact CE1-CD1 4.3Å; F69-F180 AromaticContact CE1-CE1 3.61Å; F69-F180 HydrophobicContact CE1-CE1 3.61Å; F69-F180 AromaticContact CE1-CZ 3.88Å; F69-F180 HydrophobicContact CE1-CZ 3.88Å; F69-F180 HydrophobicContact CZ-CD1 4.02Å; F69-F180 AromaticContact CZ-CE1 3.8Å; F69-F180 HydrophobicContact CZ-CE1 3.8Å; F69-F180 HydrophobicContact CZ-CZ 4.26Å; L105-F180 HydrophobicContact CD1-CB 4.41Å; L105-F180 HydrophobicContact CD2-CD2 3.74Å; L105-F180 HydrophobicContact CD2-CE2 4.05Å; L105-F180 HydrophobicContact CD2-CG 4.2Å; V129-F180 HydrophobicContact CB-CB 3.88Å; V129-F180 HydrophobicContact CG1-CB 4.24Å; V129-F180 HydrophobicContact CG2-CB 3.87Å; V129-F180 HydrophobicContact CG2-CD1 4.26Å; V129-F180 HydrophobicContact CG2-CG 4.29Å; L130-F180 CarbonylContact O-C 3.25Å; L130-F180 VanDerWaalsContact O-CA 3.31Å; L130-F180 WeakPolarHBondContact O-CA 3.13Å; F180-W187 CarbonylContact O-C 3.46Å; F180-W187 WeakPolarHBondContact O-CA 3.39Å; F180-K188 PolarHBondContact N-O 2.94Å; F180-K188 PolarHBondContact O-N 3.03Å
181	V	97.9	Very high	95.8	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.006	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.3	-175.8	-171.5	0	0	0	0	109.4	V129 L130 L132 Y135 E186 W187	V129-V181 CarbonylContact C-O 3.54Å; V129-V181 VanDerWaalsContact CA-O 3.23Å; V129-V181 WeakPolarHBondContact CA-O 3.21Å; L130-V181 PolarHBondContact N-O 3.27Å; L130-V181 PolarHBondContact O-N 3.01Å; L132-V181 HydrophobicContact CB-CG2 4.31Å; L132-V181 HydrophobicContact CD1-CG2 3.61Å; Y135-V181 HydrophobicContact CD1-CB 4.12Å; Y135-V181 HydrophobicContact CD1-CG1 3.84Å; Y135-V181 HydrophobicContact CD1-CG2 3.86Å; Y135-V181 HydrophobicContact CD2-CB 4.15Å; Y135-V181 HydrophobicContact CD2-CG1 3.91Å; Y135-V181 HydrophobicContact CE1-CG1 3.89Å; Y135-V181 HydrophobicContact CE2-CG1 3.98Å; Y135-V181 HydrophobicContact CG-CB 3.84Å; Y135-V181 HydrophobicContact CG-CG1 3.84Å; Y135-V181 HydrophobicContact CG-CG2 3.9Å; V181-E186 CarbonylContact C-O 3.56Å; V181-E186 VanDerWaalsContact CA-O 3.31Å; V181-E186 WeakPolarHBondContact CA-O 3.47Å; V181-W187 HydrophobicContact CG2-CD2 4.37Å; V181-W187 HydrophobicContact CG2-CG 4.06Å
182	T	96.4	Very high	95.7	Very high	9 Å²	9	12 Å²	12	6%	0.055	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	169.8	175.9	67.8	0	0	0	0	111.4	E127 R128 V129 A184 G185 E186 K188	E127-T182 HydrophobicContact CG-CG2 4.47Å; E127-T182 WeakPolarHBondContact OE2-CG2 3.45Å; R128-T182 WeakPolarHBondContact O-CA 3.44Å; V129-T182 HydrophobicContact CG1-CG2 3.97Å; T182-A184 PolarHBondContact O-N 3.09Å; T182-A184 VanDerWaalsContact O-N 3.16Å; T182-A184 PolarHBondContact OG1-N 3.05Å; T182-G185 PolarHBondContact O-N 3.09Å; T182-E186 HydrophobicContact CG2-CB 4.37Å; T182-E186 PolarHBondContact N-O 3.22Å; T182-E186 WeakPolarHBondContact OG1-CB 3.23Å; T182-E186 PolarHBondContact OG1-N 2.78Å; T182-K188 HydrophobicContact CG2-CD 4.39Å; T182-K188 HydrophobicContact CG2-CG 3.93Å
183	T	92.8	Very high	95.4	Very high	70 Å²	70	13 Å²	13	43%	0.429	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-22.7	171.8	53.2	0	0	0	0	113.2	R128 G185 H347	R128-T183 HydrophobicContact CG-CG2 3.76Å; T183-G185 VanDerWaalsContact C-N 3.25Å; T183-G185 PolarHBondContact O-N 2.73Å; T183-H347 PolarHBondContact O-ND1 3.3Å
184	A	93.1	Very high	95.4	Very high	12 Å²	12	12.9 Å²	12.9	10%	0.099	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	4.1	174.1	0	0	0	0	0	114.3	T182 E186 V344 H347 K348	T182-A184 PolarHBondContact O-N 3.09Å; T182-A184 VanDerWaalsContact O-N 3.16Å; T182-A184 PolarHBondContact OG1-N 3.05Å; A184-E186 HydrophobicContact CB-CG 4.14Å; A184-E186 PolarHBondContact O-N 3.06Å; A184-V344 WeakPolarHBondContact O-CG2 3.41Å; A184-H347 HydrophobicContact CB-CB 4.07Å; A184-K348 HydrophobicContact CB-CB 4.25Å
185	G	93.3	Very high	95.3	Very high	3 Å²	3	13.4 Å²	13.4	3%	0.031	8%	0.079	C	C	.	.	S	Bend	trans	73	17.1	-177.4	0	0	0	0	0	113.3	T182 T183	T182-G185 PolarHBondContact O-N 3.09Å; T183-G185 VanDerWaalsContact C-N 3.25Å; T183-G185 PolarHBondContact O-N 2.73Å
186	E	96.4	Very high	95.3	Very high	41 Å²	41	13 Å²	13	19%	0.192	8%	0.08	C	C	.	.			trans	-89.2	129.2	179.5	-56.7	-172.9	136.1	0	0	111.1	V181 T182 A184 K348	V181-E186 CarbonylContact C-O 3.56Å; V181-E186 VanDerWaalsContact CA-O 3.31Å; V181-E186 WeakPolarHBondContact CA-O 3.47Å; T182-E186 HydrophobicContact CG2-CB 4.37Å; T182-E186 PolarHBondContact N-O 3.22Å; T182-E186 WeakPolarHBondContact OG1-CB 3.23Å; T182-E186 PolarHBondContact OG1-N 2.78Å; A184-E186 HydrophobicContact CB-CG 4.14Å; A184-E186 PolarHBondContact O-N 3.06Å; E186-K348 HydrophobicContact CG-CD 4.44Å; E186-K348 WeakPolarHBondContact OE1-CE 3.37Å; E186-K348 IonicContact OE1-NZ 2.85Å; E186-K348 PolarHBondContact OE1-NZ 2.88Å
187	W	98.3	Very high	95.4	Very high	1 Å²	1	15.3 Å²	15.3	0%	0.004	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	135.4	-179.1	-67	32.4	0	0	0	110	N103 L132 L136 I148 G152 Q155 I156 V179 F180 V181 I240	N103-W187 PolarHBondContact ND2-O 3.46Å; L132-W187 HydrophobicContact CD1-CD2 3.82Å; L132-W187 VanDerWaalsContact CD1-CE2 3.48Å; L132-W187 HydrophobicContact CD1-CE3 3.95Å; L132-W187 HydrophobicContact CD1-CH2 3.48Å; L132-W187 VanDerWaalsContact CD1-CH2 3.48Å; L132-W187 HydrophobicContact CD1-CZ2 3.33Å; L132-W187 HydrophobicContact CD1-CZ3 3.79Å; L132-W187 HydrophobicContact CD2-CD2 4.44Å; L132-W187 HydrophobicContact CD2-CE3 3.76Å; L132-W187 HydrophobicContact CD2-CH2 3.78Å; L132-W187 HydrophobicContact CD2-CZ2 4.46Å; L132-W187 HydrophobicContact CD2-CZ3 3.38Å; L132-W187 HydrophobicContact CG-CH2 4.24Å; L132-W187 HydrophobicContact CG-CZ3 4.24Å; L136-W187 HydrophobicContact CD2-CH2 4.28Å; L136-W187 HydrophobicContact CD2-CZ2 4.03Å; I148-W187 HydrophobicContact CG2-CZ2 4.47Å; G152-W187 VanDerWaalsContact CA-CE2 3.49Å; G152-W187 VanDerWaalsContact CA-CG 3.46Å; Q155-W187 HydrophobicContact CB-CB 4.34Å; I156-W187 HydrophobicContact CD1-CB 4.02Å; I156-W187 HydrophobicContact CG1-CB 4.13Å; I156-W187 HydrophobicContact CG1-CE3 3.95Å; V179-W187 HydrophobicContact CG1-CB 4.08Å; V179-W187 HydrophobicContact CG1-CD2 4.21Å; V179-W187 HydrophobicContact CG1-CE3 3.85Å; V179-W187 HydrophobicContact CG1-CG 4.35Å; F180-W187 CarbonylContact O-C 3.46Å; F180-W187 WeakPolarHBondContact O-CA 3.39Å; V181-W187 HydrophobicContact CG2-CD2 4.37Å; V181-W187 HydrophobicContact CG2-CG 4.06Å; W187-I240 HydrophobicContact CH2-CD1 3.69Å; W187-I240 HydrophobicContact CH2-CG1 4.11Å; W187-I240 HydrophobicContact CZ3-CD1 3.61Å; W187-I240 HydrophobicContact CZ3-CG1 4.34Å
188	K	98.6	Very high	95.4	Very high	12 Å²	12	15.6 Å²	15.6	5%	0.052	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	122.9	-172.4	-57.9	-78.1	179	151	0	108.6	P102 N103 L105 E127 F180 T182	P102-K188 VanDerWaalsContact O-CD 3.29Å; P102-K188 WeakPolarHBondContact O-CD 3.36Å; P102-K188 VanDerWaalsContact O-CE 3.23Å; P102-K188 WeakPolarHBondContact O-CE 3.37Å; P102-K188 PolarHBondContact O-NZ 3.03Å; N103-K188 CarbonylContact O-C 3.48Å; N103-K188 WeakPolarHBondContact O-CA 3.4Å; L105-K188 HydrophobicContact CB-CB 4.23Å; L105-K188 HydrophobicContact CD1-CB 4.32Å; E127-K188 WeakPolarHBondContact OE1-CE 3.35Å; E127-K188 IonicContact OE1-NZ 2.91Å; E127-K188 PolarHBondContact OE1-NZ 3.3Å; E127-K188 VanDerWaalsContact OE1-NZ 3.07Å; E127-K188 IonicContact OE2-NZ 3.96Å; E127-K188 PolarHBondContact OE2-NZ 3.22Å; E127-K188 VanDerWaalsContact OE2-NZ 3.15Å; F180-K188 PolarHBondContact N-O 2.94Å; F180-K188 PolarHBondContact O-N 3.03Å; T182-K188 HydrophobicContact CG2-CD 4.39Å; T182-K188 HydrophobicContact CG2-CG 3.93Å
189	L	98.6	Very high	95.1	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	124.6	172.8	-173.8	65.6	0	0	0	109.8	N103 L105 I156 A159 L160 H171 V179	N103-L189 PolarHBondContact O-N 3.02Å; L105-L189 PolarHBondContact N-O 3.04Å; I156-L189 HydrophobicContact CD1-CB 4.22Å; A159-L189 HydrophobicContact CB-CB 4.13Å; A159-L189 HydrophobicContact CB-CD2 4.36Å; L160-L189 HydrophobicContact CD2-CD2 3.6Å; L160-L189 HydrophobicContact CG-CD2 4.26Å; H171-L189 HydrophobicContact CB-CD2 4.45Å; V179-L189 HydrophobicContact CG2-CD1 4.5Å
190	G	95.7	Very high	94.8	Very high	2 Å²	2	27.9 Å²	27.9	2%	0.021	16%	0.159	C	C	.	.			trans	-131	-155.2	175.3	0	0	0	0	0	110.9	H171 S178	H171-G190 PolarHBondContact NE2-O 2.91Å; S178-G190 CarbonylContact O-C 3.59Å; S178-G190 PolarHBondContact O-N 3.44Å
191	A	92.7	Very high	94.3	Very high	29 Å²	29	32.1 Å²	32.1	24%	0.24	19%	0.187	C	C	.	.			trans	56.3	48.9	-178.2	0	0	0	0	0	114.4	H171 D193	H171-A191 PolarHBondContact NE2-O 3.17Å; A191-D193 PolarHBondContact O-N 2.89Å
192	L	93.8	Very high	94	Very high	6 Å²	6	33 Å²	33	3%	0.031	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-76.3	24.9	-173.3	-54.6	179	0	0	0	114.5	W95 M96 L99 M104 F194 V195	W95-L192 HydrophobicContact CB-CB 4.21Å; W95-L192 HydrophobicContact CB-CD1 3.98Å; M96-L192 HydrophobicContact CG-CD1 3.93Å; L99-L192 HydrophobicContact CD1-CD1 4.23Å; M104-L192 HydrophobicContact CE-CD1 3.83Å; M104-L192 HydrophobicContact CE-CD2 3.81Å; M104-L192 HydrophobicContact CE-CG 4.47Å; L192-F194 VanDerWaalsContact C-N 3.25Å; L192-F194 PolarHBondContact O-N 3.37Å; L192-V195 HydrophobicContact CB-CG2 3.83Å; L192-V195 HydrophobicContact CD2-CG2 4.1Å; L192-V195 WeakPolarHBondContact O-CG2 3.49Å
193	D	91.1	Very high	93.7	Very high	23 Å²	23	34 Å²	34	12%	0.123	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-69.6	-23.7	-172.2	-58.2	-55.8	0	0	0	113.3	P47 T92 A191	P47-D193 HydrophobicContact CG-CB 4.48Å; T92-D193 VanDerWaalsContact CG2-OD1 3.24Å; T92-D193 WeakPolarHBondContact CG2-OD1 3.41Å; T92-D193 WeakPolarHBondContact OG1-CA 3.38Å; T92-D193 PolarHBondContact OG1-OD1 3.35Å; A191-D193 PolarHBondContact O-N 2.89Å
194	F	93.4	Very high	93.5	Very high	5 Å²	5	35.8 Å²	35.8	2%	0.022	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-115.5	18.6	-173	-50	-65.6	0	0	0	113	P47 N172 A173 L192 G196 P203 I205 R206 A209 F211	P47-F194 HydrophobicContact CB-CE1 4.22Å; P47-F194 HydrophobicContact CB-CZ 4.18Å; N172-F194 HydrophobicContact CB-CB 4.19Å; N172-F194 WeakPolarHBondContact CB-O 3.36Å; N172-F194 PolarHBondContact ND2-O 3.49Å; A173-F194 HydrophobicContact CB-CD2 3.6Å; A173-F194 HydrophobicContact CB-CE2 4.34Å; A173-F194 HydrophobicContact CB-CG 4.48Å; L192-F194 VanDerWaalsContact C-N 3.25Å; L192-F194 PolarHBondContact O-N 3.37Å; F194-G196 PolarHBondContact O-N 3.43Å; F194-P203 WeakPolarHBondContact O-CD 3.32Å; F194-I205 HydrophobicContact CD1-CG2 4.21Å; F194-R206 HydrophobicContact CB-CG 4.45Å; F194-R206 VanDerWaalsContact CD1-CA 3.5Å; F194-R206 HydrophobicContact CD1-CB 3.78Å; F194-R206 HydrophobicContact CD1-CG 4.04Å; F194-R206 HydrophobicContact CD2-CG 4.49Å; F194-R206 HydrophobicContact CE1-CB 4.29Å; F194-R206 HydrophobicContact CE1-CG 4.48Å; F194-R206 HydrophobicContact CG-CB 4.21Å; F194-R206 HydrophobicContact CG-CG 4.05Å; F194-A209 HydrophobicContact CE1-CB 4.22Å; F194-A209 HydrophobicContact CE2-CB 4Å; F194-A209 HydrophobicContact CZ-CB 3.49Å; F194-A209 VanDerWaalsContact CZ-CB 3.49Å; F194-F211 AromaticContact CE2-CE1 3.96Å; F194-F211 HydrophobicContact CE2-CE1 3.96Å; F194-F211 HydrophobicContact CE2-CZ 4.23Å
195	V	95.6	Very high	93.2	Very high	13 Å²	13	36.9 Å²	36.9	8%	0.079	22%	0.216	C	C	.	.			trans	-62.4	129.6	178.6	174.3	0	0	0	0	110.5	W95 L169 A170 L192	W95-V195 HydrophobicContact CD2-CG1 4.04Å; W95-V195 HydrophobicContact CG-CB 4.33Å; W95-V195 HydrophobicContact CG-CG1 4.33Å; W95-V195 HydrophobicContact CZ2-CG1 4.11Å; L169-V195 HydrophobicContact CB-CG1 4.09Å; L169-V195 HydrophobicContact CD1-CG1 4.08Å; L169-V195 HydrophobicContact CD2-CG1 4.15Å; L169-V195 HydrophobicContact CG-CG1 4.32Å; A170-V195 VanDerWaalsContact O-CA 3.3Å; A170-V195 WeakPolarHBondContact O-CA 3.47Å; L192-V195 HydrophobicContact CB-CG2 3.83Å; L192-V195 HydrophobicContact CD2-CG2 4.1Å; L192-V195 WeakPolarHBondContact O-CG2 3.49Å
196	G	94.5	Very high	93	Very high	7 Å²	7	37.3 Å²	37.3	7%	0.072	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	-179	178.8	0	0	0	0	0	111.9	L169 A170 F194	L169-G196 CarbonylContact C-O 3.53Å; L169-G196 WeakPolarHBondContact CA-O 3.15Å; L169-G196 WeakPolarHBondContact CD2-O 3.38Å; A170-G196 PolarHBondContact N-O 3.43Å; A170-G196 PolarHBondContact O-N 3.09Å; A170-G196 VanDerWaalsContact O-N 3.13Å; F194-G196 PolarHBondContact O-N 3.43Å
197	P	95.8	Very high	92.6	Very high	59 Å²	59	42.7 Å²	42.7	38%	0.383	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	137	179.7	-21.2	34.4	0	0	0	112.2	N199 E200	P197-N199 VanDerWaalsContact C-N 3.3Å; P197-N199 PolarHBondContact O-N 3.19Å; P197-E200 HydrophobicContact CB-CB 4.05Å; P197-E200 HydrophobicContact CB-CG 3.94Å; P197-E200 HydrophobicContact CG-CB 4.45Å; P197-E200 HydrophobicContact CG-CG 4.35Å; P197-E200 PolarHBondContact O-N 2.93Å
198	V	93.8	Very high	91.9	Very high	30 Å²	30	44.5 Å²	44.5	18%	0.182	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-30.7	-170.8	66.6	0	0	0	0	114.8	N164 K168 A170	N164-V198 HydrophobicContact CB-CG2 4.01Å; K168-V198 HydrophobicContact CB-CG1 4.39Å; K168-V198 WeakPolarHBondContact O-CG1 3.32Å; K168-V198 PolarHBondContact O-N 3.31Å; A170-V198 HydrophobicContact CB-CB 4.43Å; A170-V198 HydrophobicContact CB-CG2 4.37Å
199	N	88.9	Confident	91.3	Very high	147 Å²	147	44 Å²	44	79%	0.786	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	2.1	-177.6	-68.8	-35.9	0	0	0	113.1	P197	P197-N199 VanDerWaalsContact C-N 3.3Å; P197-N199 PolarHBondContact O-N 3.19Å
200	E	91.3	Very high	90.4	Very high	114 Å²	114	46 Å²	46	53%	0.533	27%	0.272	S	S	.	.	S	Bend	trans	-102.3	154.7	177.1	-70.1	-171.6	-176.8	0	0	110.4	P197	P197-E200 HydrophobicContact CB-CB 4.05Å; P197-E200 HydrophobicContact CB-CG 3.94Å; P197-E200 HydrophobicContact CG-CB 4.45Å; P197-E200 HydrophobicContact CG-CG 4.35Å; P197-E200 PolarHBondContact O-N 2.93Å
201	P	88.4	Confident	89.8	Confident	90 Å²	90	47.7 Å²	47.7	58%	0.584	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-58.5	151.4	170.5	26.4	-34.9	0	0	0	110.4
202	P	91.3	Very high	89.4	Confident	19 Å²	19	47.8 Å²	47.8	12%	0.123	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-51.5	144.8	178.1	-31.9	39.2	0	0	0	112.7	N172 M221 V228	N172-P202 HydrophobicContact CB-CB 3.99Å; N172-P202 HydrophobicContact CB-CG 4.22Å; P202-M221 HydrophobicContact CB-CE 4.24Å; P202-M221 HydrophobicContact CG-CE 3.68Å; P202-M221 HydrophobicContact CG-SD 3.8Å; P202-V228 HydrophobicContact CG-CG1 4.17Å; P202-V228 HydrophobicContact CG-CG2 3.96Å
203	P	91	Very high	88.7	Confident	29 Å²	29	51 Å²	51	19%	0.188	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-50.7	136.2	178.8	-30.3	36.7	0	0	0	111.9	N172 F194 I205 R206	N172-P203 WeakPolarHBondContact ND2-CD 3.29Å; F194-P203 WeakPolarHBondContact O-CD 3.32Å; P203-I205 HydrophobicContact CB-CG2 3.77Å; P203-I205 PolarHBondContact O-N 3.45Å; P203-R206 VanDerWaalsContact O-CB 3.25Å; P203-R206 WeakPolarHBondContact O-CB 3.4Å; P203-R206 PolarHBondContact O-N 2.99Å
204	P	88.2	Confident	88	Confident	109 Å²	109	54.8 Å²	54.8	71%	0.708	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-53.7	-29.3	-177	-28.7	34.7	0	0	0	113.8	R206 Q207	P204-R206 PolarHBondContact O-N 3.35Å; P204-R206 VanDerWaalsContact O-N 3.1Å; P204-Q207 WeakPolarHBondContact O-CB 3.42Å; P204-Q207 WeakPolarHBondContact O-CG 3.23Å; P204-Q207 PolarHBondContact O-N 3.24Å
205	I	86.5	Confident	87.3	Confident	34 Å²	34	61.7 Å²	61.7	17%	0.174	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-58.5	-22.7	177.2	-173.1	61.3	0	0	0	113.7	Y48 T84 I88 F194 P203 Q207 T208	Y48-I205 HydrophobicContact CE2-CD1 3.76Å; T84-I205 HydrophobicContact CG2-CD1 4.42Å; I88-I205 HydrophobicContact CD1-CD1 3.35Å; I88-I205 HydrophobicContact CD1-CG1 3.36Å; I88-I205 HydrophobicContact CG1-CD1 4.34Å; I88-I205 HydrophobicContact CG1-CG1 3.91Å; F194-I205 HydrophobicContact CD1-CG2 4.21Å; P203-I205 HydrophobicContact CB-CG2 3.77Å; P203-I205 PolarHBondContact O-N 3.45Å; I205-Q207 PolarHBondContact O-N 3.46Å; I205-Q207 VanDerWaalsContact O-N 3.12Å; I205-T208 HydrophobicContact CD1-CG2 3.68Å; I205-T208 WeakPolarHBondContact CD1-OG1 3.41Å; I205-T208 WeakPolarHBondContact O-CB 3.27Å; I205-T208 PolarHBondContact O-N 3.07Å; I205-T208 PolarHBondContact O-OG1 2.78Å
206	R	89.7	Confident	86.5	Confident	12 Å²	12	64.8 Å²	64.8	5%	0.045	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-57.4	-26.1	174.5	-167.3	-176.7	169.4	-73.5	6.8	112.8	N172 F194 P203 P204 T208 A209 D218	N172-R206 WeakPolarHBondContact O-CD 3.37Å; N172-R206 PolarHBondContact O-NE 3.31Å; F194-R206 HydrophobicContact CB-CG 4.45Å; F194-R206 VanDerWaalsContact CD1-CA 3.5Å; F194-R206 HydrophobicContact CD1-CB 3.78Å; F194-R206 HydrophobicContact CD1-CG 4.04Å; F194-R206 HydrophobicContact CD2-CG 4.49Å; F194-R206 HydrophobicContact CE1-CB 4.29Å; F194-R206 HydrophobicContact CE1-CG 4.48Å; F194-R206 HydrophobicContact CG-CB 4.21Å; F194-R206 HydrophobicContact CG-CG 4.05Å; P203-R206 VanDerWaalsContact O-CB 3.25Å; P203-R206 WeakPolarHBondContact O-CB 3.4Å; P203-R206 PolarHBondContact O-N 2.99Å; P204-R206 PolarHBondContact O-N 3.35Å; P204-R206 VanDerWaalsContact O-N 3.1Å; R206-T208 PolarHBondContact O-N 2.95Å; R206-A209 VanDerWaalsContact O-CB 3.25Å; R206-A209 WeakPolarHBondContact O-CB 3.09Å; R206-A209 PolarHBondContact O-N 2.92Å; R206-A209 VanDerWaalsContact O-N 3.09Å; R206-D218 IonicContact CZ-OD2 2.73Å; R206-D218 IonicContact NH1-OD2 3.95Å; R206-D218 PolarHBondContact NH1-OD2 3.21Å; R206-D218 IonicContact NH2-OD1 2.81Å; R206-D218 IonicContact NH2-OD2 2.62Å; R206-D218 PolarHBondContact NH2-OD2 3.26Å
207	Q	86.6	Confident	86	Confident	155 Å²	155	68 Å²	68	72%	0.724	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-64.4	-17.5	174.4	-64.2	179.3	9.7	0	0	113.5	P204 I205 A209	P204-Q207 WeakPolarHBondContact O-CB 3.42Å; P204-Q207 WeakPolarHBondContact O-CG 3.23Å; P204-Q207 PolarHBondContact O-N 3.24Å; I205-Q207 PolarHBondContact O-N 3.46Å; I205-Q207 VanDerWaalsContact O-N 3.12Å; Q207-A209 VanDerWaalsContact C-N 3.34Å
208	T	84.4	Confident	85.7	Confident	39 Å²	39	66.2 Å²	66.2	24%	0.239	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-87.1	-4.6	176.1	70.5	0	0	0	0	113.1	Y48 I205 R206	Y48-T208 WeakPolarHBondContact CA-O 3.23Å; Y48-T208 HydrophobicContact CD1-CG2 4.28Å; Y48-T208 HydrophobicContact CE1-CG2 3.78Å; Y48-T208 HydrophobicContact CE2-CG2 4.48Å; Y48-T208 PolarHBondContact N-O 2.98Å; I205-T208 HydrophobicContact CD1-CG2 3.68Å; I205-T208 WeakPolarHBondContact CD1-OG1 3.41Å; I205-T208 WeakPolarHBondContact O-CB 3.27Å; I205-T208 PolarHBondContact O-N 3.07Å; I205-T208 PolarHBondContact O-OG1 2.78Å; R206-T208 PolarHBondContact O-N 2.95Å
209	A	85.6	Confident	85.6	Confident	2 Å²	2	65.1 Å²	65.1	2%	0.017	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-69.8	136.8	-177.7	0	0	0	0	0	111	F194 R206 Q207 F211 V212	F194-A209 HydrophobicContact CE1-CB 4.22Å; F194-A209 HydrophobicContact CE2-CB 4Å; F194-A209 HydrophobicContact CZ-CB 3.49Å; F194-A209 VanDerWaalsContact CZ-CB 3.49Å; R206-A209 VanDerWaalsContact O-CB 3.25Å; R206-A209 WeakPolarHBondContact O-CB 3.09Å; R206-A209 PolarHBondContact O-N 2.92Å; R206-A209 VanDerWaalsContact O-N 3.09Å; Q207-A209 VanDerWaalsContact C-N 3.34Å; A209-F211 HydrophobicContact CB-CD1 3.63Å; A209-F211 HydrophobicContact CB-CE1 3.29Å; A209-F211 HydrophobicContact CB-CE2 4.34Å; A209-F211 HydrophobicContact CB-CG 4.34Å; A209-F211 HydrophobicContact CB-CZ 3.67Å; A209-F211 PolarHBondContact O-N 3.41Å; A209-V212 HydrophobicContact CB-CG2 4.26Å; A209-V212 PolarHBondContact O-N 3.19Å
210	G	80	Confident	85.8	Confident	42 Å²	42	59 Å²	59	43%	0.433	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-14	-176.4	0	0	0	0	0	115.2
211	F	83.1	Confident	85.8	Confident	38 Å²	38	54.7 Å²	54.7	17%	0.167	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-8.6	175.7	64.3	-95.6	0	0	0	113.9	A173 R175 F194 A209 Y220	A173-F211 HydrophobicContact CB-CZ 3.98Å; R175-F211 VanDerWaalsContact CZ-CD1 3.44Å; R175-F211 VanDerWaalsContact CZ-CG 3.44Å; R175-F211 VanDerWaalsContact NH2-CE1 3.34Å; F194-F211 AromaticContact CE2-CE1 3.96Å; F194-F211 HydrophobicContact CE2-CE1 3.96Å; F194-F211 HydrophobicContact CE2-CZ 4.23Å; A209-F211 HydrophobicContact CB-CD1 3.63Å; A209-F211 HydrophobicContact CB-CE1 3.29Å; A209-F211 HydrophobicContact CB-CE2 4.34Å; A209-F211 HydrophobicContact CB-CG 4.34Å; A209-F211 HydrophobicContact CB-CZ 3.67Å; A209-F211 PolarHBondContact O-N 3.41Å; F211-Y220 HydrophobicContact CD2-CD2 4.47Å
212	V	84.4	Confident	86	Confident	31 Å²	31	50.4 Å²	50.4	19%	0.188	30%	0.301	C	S	.	.			trans	-96.1	112.7	175.5	-180	0	0	0	0	107.9	A209	A209-V212 HydrophobicContact CB-CG2 4.26Å; A209-V212 PolarHBondContact O-N 3.19Å
213	D	80.2	Confident	85.9	Confident	74 Å²	74	52.5 Å²	52.5	40%	0.396	32%	0.315	S	S	.	.			trans	-90	123.6	172.1	171.7	15.9	0	0	0	109.6	N215 T216	D213-N215 PolarHBondContact O-N 2.86Å; D213-N215 PolarHBondContact OD1-N 3.32Å; D213-N215 PolarHBondContact OD1-ND2 3.41Å; D213-T216 VanDerWaalsContact CB-OG1 3.32Å; D213-T216 WeakPolarHBondContact CB-OG1 3.39Å; D213-T216 PolarHBondContact O-N 3.11Å; D213-T216 VanDerWaalsContact O-O 3.09Å; D213-T216 WeakPolarHBondContact OD2-CG2 3.48Å; D213-T216 PolarHBondContact OD2-OG1 3.21Å
214	A	74.8	Confident	85.7	Confident	102 Å²	102	53.5 Å²	53.5	84%	0.843	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-20.9	-178.2	0	0	0	0	0	113.5
215	N	78.4	Confident	85.7	Confident	150 Å²	150	52.3 Å²	52.3	80%	0.802	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-14.1	-177.7	-59.7	-53.3	0	0	0	113.5	D213	D213-N215 PolarHBondContact O-N 2.86Å; D213-N215 PolarHBondContact OD1-N 3.32Å; D213-N215 PolarHBondContact OD1-ND2 3.41Å
216	T	80.4	Confident	85.9	Confident	78 Å²	78	57.1 Å²	57.1	48%	0.479	32%	0.322	S	S	.	.	S	Bend	trans	-123.1	160.3	-173.9	56.1	0	0	0	0	111.4	D213 D218	D213-T216 VanDerWaalsContact CB-OG1 3.32Å; D213-T216 WeakPolarHBondContact CB-OG1 3.39Å; D213-T216 PolarHBondContact O-N 3.11Å; D213-T216 VanDerWaalsContact O-O 3.09Å; D213-T216 WeakPolarHBondContact OD2-CG2 3.48Å; D213-T216 PolarHBondContact OD2-OG1 3.21Å; T216-D218 PolarHBondContact O-N 3.17Å
217	T	84.4	Confident	86.1	Confident	73 Å²	73	58.9 Å²	58.9	45%	0.448	33%	0.332	S	S	.	.			trans	-73.5	121.4	175.9	-64.7	0	0	0	0	108.8	P219	T217-P219 VanDerWaalsContact O-CD 3.23Å; T217-P219 WeakPolarHBondContact O-CD 3.46Å; T217-P219 VanDerWaalsContact O-N 3.13Å
218	D	89.3	Confident	86.5	Confident	22 Å²	22	51.9 Å²	51.9	12%	0.118	30%	0.3	C	S	.	.			trans	-60.2	113.6	177	177.9	5.2	0	0	0	111.3	R206 T216 Y220 M221	R206-D218 IonicContact CZ-OD2 2.73Å; R206-D218 IonicContact NH1-OD2 3.95Å; R206-D218 PolarHBondContact NH1-OD2 3.21Å; R206-D218 IonicContact NH2-OD1 2.81Å; R206-D218 IonicContact NH2-OD2 2.62Å; R206-D218 PolarHBondContact NH2-OD2 3.26Å; T216-D218 PolarHBondContact O-N 3.17Å; D218-Y220 PolarHBondContact O-N 2.91Å; D218-Y220 WeakPolarHBondContact OD1-CB 3.36Å; D218-Y220 PolarHBondContact OD1-N 3.45Å; D218-M221 HydrophobicContact CB-CB 4.25Å; D218-M221 PolarHBondContact O-N 3.11Å
219	P	91.1	Very high	87.2	Confident	7 Å²	7	50.2 Å²	50.2	5%	0.045	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-17.3	-177.4	32.1	-36.8	0	0	0	113.3	T217 M221 W231 L247 R250	T217-P219 VanDerWaalsContact O-CD 3.23Å; T217-P219 WeakPolarHBondContact O-CD 3.46Å; T217-P219 VanDerWaalsContact O-N 3.13Å; P219-M221 PolarHBondContact O-N 2.95Å; P219-W231 PolarHBondContact O-NE1 3.39Å; P219-L247 HydrophobicContact CB-CD1 4.28Å; P219-L247 HydrophobicContact CB-CD2 4.13Å; P219-L247 HydrophobicContact CB-CG 3.83Å; P219-L247 HydrophobicContact CG-CD2 4.41Å; P219-L247 HydrophobicContact CG-CG 3.98Å; P219-R250 HydrophobicContact CB-CG 4.15Å
220	Y	92.6	Very high	87.8	Confident	20 Å²	20	50.2 Å²	50.2	8%	0.078	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	4.4	177.2	-58.1	-83.8	0	0	0	112.7	R175 F211 D218 C235 E239 L247	R175-Y220 HydrophobicContact CB-CE1 4.31Å; R175-Y220 VanDerWaalsContact CD-CG 3.48Å; R175-Y220 HydrophobicContact CG-CD1 3.42Å; R175-Y220 VanDerWaalsContact CG-CD1 3.42Å; R175-Y220 HydrophobicContact CG-CE1 3.53Å; R175-Y220 HydrophobicContact CG-CG 4.04Å; F211-Y220 HydrophobicContact CD2-CD2 4.47Å; D218-Y220 PolarHBondContact O-N 2.91Å; D218-Y220 WeakPolarHBondContact OD1-CB 3.36Å; D218-Y220 PolarHBondContact OD1-N 3.45Å; Y220-C235 HydrophobicContact CD1-CB 3.66Å; Y220-C235 HydrophobicContact CE1-CB 4Å; Y220-E239 PolarHBondContact OH-OE1 3.31Å; Y220-L247 HydrophobicContact CD1-CD2 4.15Å; Y220-L247 HydrophobicContact CE1-CD2 3.77Å
221	M	91.9	Very high	88.6	Confident	23 Å²	23	48.7 Å²	48.7	11%	0.113	27%	0.271	C	S	.	.	S	Bend	trans	-109.4	128	176.2	-161.5	63.2	68.1	0	0	111.8	P202 D218 P219 N225 V228 R250	P202-M221 HydrophobicContact CB-CE 4.24Å; P202-M221 HydrophobicContact CG-CE 3.68Å; P202-M221 HydrophobicContact CG-SD 3.8Å; D218-M221 HydrophobicContact CB-CB 4.25Å; D218-M221 PolarHBondContact O-N 3.11Å; P219-M221 PolarHBondContact O-N 2.95Å; M221-N225 VanDerWaalsContact CG-OD1 3.28Å; M221-N225 WeakPolarHBondContact CG-OD1 3.47Å; M221-V228 HydrophobicContact SD-CG1 3.94Å; M221-V228 HydrophobicContact SD-CG2 4.09Å; M221-R250 PolarHBondContact O-NH1 3.15Å
222	P	92.2	Very high	89.3	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.264	C	S	.	.			trans	-65.5	147.7	172.3	25.4	-31.4	0	0	0	111.3	D224 N225 R226 V228 W231 R285	P222-D224 PolarHBondContact O-N 3.38Å; P222-D224 VanDerWaalsContact O-N 3.15Å; P222-N225 PolarHBondContact O-N 3.19Å; P222-N225 PolarHBondContact O-OD1 3.32Å; P222-R226 WeakPolarHBondContact CG-O 2.95Å; P222-V228 HydrophobicContact CG-CB 4.49Å; P222-V228 HydrophobicContact CG-CG2 4.04Å; P222-W231 HydrophobicContact CB-CB 3.92Å; P222-W231 HydrophobicContact CB-CD2 3.84Å; P222-W231 HydrophobicContact CB-CE3 3.86Å; P222-W231 HydrophobicContact CB-CG 3.86Å; P222-W231 HydrophobicContact CG-CB 4Å; P222-W231 HydrophobicContact CG-CG 4.23Å; P222-R285 VanDerWaalsContact CB-CZ 3.49Å
223	P	88.8	Confident	90	Very high	62 Å²	62	45.5 Å²	45.5	40%	0.403	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-31	-177.4	-23.9	31.8	0	0	0	115.6	R250	P223-R250 VanDerWaalsContact CA-NH1 3.33Å
224	D	87.8	Confident	90.8	Very high	51 Å²	51	42 Å²	42	27%	0.273	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	2.3	-178.6	61.4	-6.9	0	0	0	113.3	P222 R226 A278 R285	P222-D224 PolarHBondContact O-N 3.38Å; P222-D224 VanDerWaalsContact O-N 3.15Å; D224-R226 WeakPolarHBondContact O-CG 3.49Å; D224-R226 PolarHBondContact O-N 3.43Å; D224-R226 VanDerWaalsContact O-N 3.12Å; D224-R226 PolarHBondContact OD1-N 2.85Å; D224-A278 WeakPolarHBondContact OD2-CB 3.11Å; D224-A278 PolarHBondContact OD2-N 3.33Å; D224-R285 IonicContact OD1-CZ 3.21Å; D224-R285 IonicContact OD1-NH1 3.12Å; D224-R285 PolarHBondContact OD1-NH1 3.45Å; D224-R285 IonicContact OD1-NH2 2.74Å; D224-R285 PolarHBondContact OD1-NH2 2.91Å; D224-R285 IonicContact OD2-NH1 3.46Å; D224-R285 IonicContact OD2-NH2 3.58Å
225	N	88.2	Confident	91.9	Very high	83 Å²	83	37.1 Å²	37.1	44%	0.444	20%	0.196	S	C	.	.	S	Bend	trans	55.5	19.9	-175.1	-60.1	-33.1	0	0	0	114.7	M221 P222	M221-N225 VanDerWaalsContact CG-OD1 3.28Å; M221-N225 WeakPolarHBondContact CG-OD1 3.47Å; P222-N225 PolarHBondContact O-N 3.19Å; P222-N225 PolarHBondContact O-OD1 3.32Å
226	R	90.9	Very high	92.9	Very high	135 Å²	135	30 Å²	30	51%	0.509	16%	0.158	S	C	.	.			trans	-106.2	151.1	178.7	-62.8	-175.1	73.5	128.5	3.4	111	P222 D224 V228 A278 R285	P222-R226 WeakPolarHBondContact CG-O 2.95Å; D224-R226 WeakPolarHBondContact O-CG 3.49Å; D224-R226 PolarHBondContact O-N 3.43Å; D224-R226 VanDerWaalsContact O-N 3.12Å; D224-R226 PolarHBondContact OD1-N 2.85Å; R226-V228 PolarHBondContact O-N 2.96Å; R226-A278 HydrophobicContact CB-CB 3.74Å; R226-R285 PolarHBondContact O-NH1 3.36Å
227	L	93.8	Very high	93.7	Very high	49 Å²	49	26.3 Å²	26.3	26%	0.257	14%	0.135	S	C	.	.	S	Bend	trans	50.4	46.2	179.3	-60.4	175.6	0	0	0	112.1	D229 S230 W231 A278 R285 T287	L227-D229 VanDerWaalsContact C-N 3.28Å; L227-D229 PolarHBondContact O-N 3.46Å; L227-S230 WeakPolarHBondContact O-CB 3.48Å; L227-S230 PolarHBondContact O-N 3.26Å; L227-W231 PolarHBondContact O-N 3.27Å; L227-W231 VanDerWaalsContact O-N 3.08Å; L227-A278 HydrophobicContact CD1-CB 4.2Å; L227-R285 HydrophobicContact CD1-CB 4.27Å; L227-R285 HydrophobicContact CD1-CG 4.34Å; L227-T287 HydrophobicContact CD1-CG2 4.38Å; L227-T287 HydrophobicContact CD2-CG2 4.02Å
228	V	95.3	Very high	94.4	Very high	9 Å²	9	22.8 Å²	22.8	6%	0.055	11%	0.114	C	C	.	.	H	α-helix	trans	-57.4	-41.1	-172.7	179.6	0	0	0	0	111.6	P202 M221 P222 R226 S230 W231 G232	P202-V228 HydrophobicContact CG-CG1 4.17Å; P202-V228 HydrophobicContact CG-CG2 3.96Å; M221-V228 HydrophobicContact SD-CG1 3.94Å; M221-V228 HydrophobicContact SD-CG2 4.09Å; P222-V228 HydrophobicContact CG-CB 4.49Å; P222-V228 HydrophobicContact CG-CG2 4.04Å; R226-V228 PolarHBondContact O-N 2.96Å; V228-S230 VanDerWaalsContact C-N 3.34Å; V228-S230 PolarHBondContact O-N 3.48Å; V228-W231 PolarHBondContact O-N 2.85Å; V228-G232 PolarHBondContact O-N 2.92Å
229	D	97.9	Very high	94.7	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.016	11%	0.111	C	C	.	.	H	α-helix	trans	-68.7	-31.3	177.8	-72.6	-6.6	0	0	0	113.1	L160 N164 A170 H171 N172 V174 L227 G232 L233	L160-D229 HydrophobicContact CD2-CB 4.15Å; N164-D229 PolarHBondContact ND2-OD2 3.46Å; A170-D229 WeakPolarHBondContact CA-OD2 3.27Å; H171-D229 WeakPolarHBondContact CB-OD1 3.36Å; H171-D229 VanDerWaalsContact N-CG 3.33Å; H171-D229 PolarHBondContact N-OD1 3.28Å; H171-D229 VanDerWaalsContact N-OD1 3.13Å; H171-D229 PolarHBondContact N-OD2 2.93Å; N172-D229 PolarHBondContact N-OD1 2.88Å; V174-D229 HydrophobicContact CG2-CB 4.35Å; L227-D229 VanDerWaalsContact C-N 3.28Å; L227-D229 PolarHBondContact O-N 3.46Å; D229-G232 PolarHBondContact O-N 3.44Å; D229-L233 WeakPolarHBondContact O-CB 3.49Å; D229-L233 PolarHBondContact O-N 3.43Å
230	S	97.8	Very high	94.9	Very high	3 Å²	3	22 Å²	22	2%	0.021	11%	0.109	C	C	.	.	H	α-helix	trans	-68.9	-43.2	175.1	-52.9	0	0	0	0	110.8	L227 V228 G232 L233 G234 F286 V288	L227-S230 WeakPolarHBondContact O-CB 3.48Å; L227-S230 PolarHBondContact O-N 3.26Å; V228-S230 VanDerWaalsContact C-N 3.34Å; V228-S230 PolarHBondContact O-N 3.48Å; S230-G232 VanDerWaalsContact C-N 3.35Å; S230-L233 PolarHBondContact O-N 3.23Å; S230-G234 PolarHBondContact O-N 2.7Å; S230-G234 VanDerWaalsContact O-N 3.1Å; S230-F286 WeakPolarHBondContact CB-O 3.47Å; S230-F286 PolarHBondContact OG-O 3.06Å; S230-V288 PolarHBondContact OG-N 3.26Å
231	W	97.5	Very high	95.1	Very high	9 Å²	9	21.7 Å²	21.7	3%	0.034	11%	0.108	C	C	.	.	H	α-helix	trans	-60	-46.1	170.8	-179.6	-85.1	0	0	0	111.4	P219 P222 L227 V228 L233 G234 C235 R250 L253 I274	P219-W231 PolarHBondContact O-NE1 3.39Å; P222-W231 HydrophobicContact CB-CB 3.92Å; P222-W231 HydrophobicContact CB-CD2 3.84Å; P222-W231 HydrophobicContact CB-CE3 3.86Å; P222-W231 HydrophobicContact CB-CG 3.86Å; P222-W231 HydrophobicContact CG-CB 4Å; P222-W231 HydrophobicContact CG-CG 4.23Å; L227-W231 PolarHBondContact O-N 3.27Å; L227-W231 VanDerWaalsContact O-N 3.08Å; V228-W231 PolarHBondContact O-N 2.85Å; W231-L233 VanDerWaalsContact C-N 3.35Å; W231-L233 PolarHBondContact O-N 2.71Å; W231-G234 CarbonylContact O-C 3.53Å; W231-G234 VanDerWaalsContact O-CA 3.3Å; W231-G234 WeakPolarHBondContact O-CA 3.44Å; W231-G234 PolarHBondContact O-N 2.93Å; W231-C235 PolarHBondContact NE1-SG 3.04Å; W231-C235 VanDerWaalsContact NE1-SG 3.4Å; W231-C235 PolarHBondContact O-N 3.16Å; W231-R250 HydrophobicContact CZ2-CG 4.15Å; W231-L253 HydrophobicContact CH2-CD1 4.08Å; W231-L253 HydrophobicContact CZ2-CD1 3.4Å; W231-I274 HydrophobicContact CE3-CB 4.26Å; W231-I274 HydrophobicContact CH2-CB 4.43Å; W231-I274 HydrophobicContact CZ3-CB 4.07Å; W231-I274 WeakPolarHBondContact CZ3-O 3.39Å
232	G	97.7	Very high	95.2	Very high	3 Å²	3	20.6 Å²	20.6	3%	0.031	10%	0.103	C	C	.	.	H	α-helix	trans	-61.9	-37.5	178.3	0	0	0	0	0	113.4	V228 D229 S230 G234 C235 L236	V228-G232 PolarHBondContact O-N 2.92Å; D229-G232 PolarHBondContact O-N 3.44Å; S230-G232 VanDerWaalsContact C-N 3.35Å; G232-G234 VanDerWaalsContact C-N 3.3Å; G232-G234 PolarHBondContact O-N 3.36Å; G232-C235 WeakPolarHBondContact O-CB 3.04Å; G232-C235 PolarHBondContact O-N 2.95Å; G232-L236 WeakPolarHBondContact O-CB 3.48Å; G232-L236 PolarHBondContact O-N 3.21Å
233	L	98.7	Very high	95	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.8	-39.2	170.6	-179.3	60.3	0	0	0	111.3	I156 A157 L160 D229 S230 W231 L236 I237 L273 V288 F291	I156-L233 HydrophobicContact CG2-CD1 4.23Å; A157-L233 HydrophobicContact CB-CD2 4.39Å; L160-L233 HydrophobicContact CD1-CB 4.15Å; L160-L233 HydrophobicContact CD1-CD1 4.46Å; D229-L233 WeakPolarHBondContact O-CB 3.49Å; D229-L233 PolarHBondContact O-N 3.43Å; S230-L233 PolarHBondContact O-N 3.23Å; W231-L233 VanDerWaalsContact C-N 3.35Å; W231-L233 PolarHBondContact O-N 2.71Å; L233-L236 HydrophobicContact CD1-CD2 4.28Å; L233-L236 PolarHBondContact O-N 3.2Å; L233-I237 HydrophobicContact CG-CD1 4.26Å; L233-I237 VanDerWaalsContact O-CG1 3.3Å; L233-I237 WeakPolarHBondContact O-CG1 3.29Å; L233-I237 PolarHBondContact O-N 3.32Å; L233-L273 HydrophobicContact CB-CD1 4.28Å; L233-L273 HydrophobicContact CD2-CD1 4.01Å; L233-L273 HydrophobicContact CD2-CD2 4.46Å; L233-L273 HydrophobicContact CG-CD1 3.9Å; L233-V288 HydrophobicContact CD2-CG1 3.79Å; L233-V288 HydrophobicContact CD2-CG2 4.36Å; L233-F291 HydrophobicContact CD2-CD1 3.78Å; L233-F291 HydrophobicContact CD2-CE1 3.92Å; L233-F291 HydrophobicContact CD2-CG 4.46Å
234	G	98.3	Very high	94.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-57.1	-51.9	169.6	0	0	0	0	0	111.7	S230 W231 G232 L236 I237 W238 Y270	S230-G234 PolarHBondContact O-N 2.7Å; S230-G234 VanDerWaalsContact O-N 3.1Å; W231-G234 CarbonylContact O-C 3.53Å; W231-G234 VanDerWaalsContact O-CA 3.3Å; W231-G234 WeakPolarHBondContact O-CA 3.44Å; W231-G234 PolarHBondContact O-N 2.93Å; G232-G234 VanDerWaalsContact C-N 3.3Å; G232-G234 PolarHBondContact O-N 3.36Å; G234-L236 VanDerWaalsContact C-N 3.33Å; G234-L236 PolarHBondContact O-N 3.22Å; G234-I237 PolarHBondContact O-N 2.94Å; G234-W238 PolarHBondContact O-N 3.49Å; G234-Y270 VanDerWaalsContact O-CE2 3.25Å; G234-Y270 WeakPolarHBondContact O-CE2 3.17Å
235	C	97.8	Very high	95	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-56.2	-45.6	175.5	-65	0	0	0	0	112.1	Y220 W231 G232 I237 W238 E239 L247	Y220-C235 HydrophobicContact CD1-CB 3.66Å; Y220-C235 HydrophobicContact CE1-CB 4Å; W231-C235 PolarHBondContact NE1-SG 3.04Å; W231-C235 VanDerWaalsContact NE1-SG 3.4Å; W231-C235 PolarHBondContact O-N 3.16Å; G232-C235 WeakPolarHBondContact O-CB 3.04Å; G232-C235 PolarHBondContact O-N 2.95Å; C235-I237 PolarHBondContact O-N 3Å; C235-W238 WeakPolarHBondContact O-CB 3.5Å; C235-W238 PolarHBondContact O-N 3.21Å; C235-W238 VanDerWaalsContact O-N 3.14Å; C235-E239 WeakPolarHBondContact O-CG 3.44Å; C235-E239 PolarHBondContact O-N 3.33Å; C235-L247 HydrophobicContact CB-CD2 4.11Å
236	L	98.2	Very high	95.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.4	-45.2	177.3	174.1	63.5	0	0	0	111.8	L132 I156 V174 L176 V179 G232 L233 G234 W238 E239 I240	L132-L236 HydrophobicContact CD2-CD1 3.98Å; I156-L236 HydrophobicContact CG2-CD2 3.96Å; V174-L236 HydrophobicContact CG1-CB 4.31Å; V174-L236 HydrophobicContact CG1-CD2 4.08Å; L176-L236 HydrophobicContact CD2-CD1 3.88Å; L176-L236 HydrophobicContact CG-CD1 4.29Å; V179-L236 HydrophobicContact CG2-CD1 4.37Å; V179-L236 HydrophobicContact CG2-CD2 3.97Å; G232-L236 WeakPolarHBondContact O-CB 3.48Å; G232-L236 PolarHBondContact O-N 3.21Å; L233-L236 HydrophobicContact CD1-CD2 4.28Å; L233-L236 PolarHBondContact O-N 3.2Å; G234-L236 VanDerWaalsContact C-N 3.33Å; G234-L236 PolarHBondContact O-N 3.22Å; L236-W238 VanDerWaalsContact C-N 3.31Å; L236-W238 PolarHBondContact O-N 2.95Å; L236-E239 PolarHBondContact O-N 2.99Å; L236-I240 HydrophobicContact CD1-CD1 4.14Å; L236-I240 HydrophobicContact CD1-CG1 4.27Å; L236-I240 HydrophobicContact CG-CD1 3.94Å; L236-I240 WeakPolarHBondContact O-CD1 3.39Å; L236-I240 VanDerWaalsContact O-CG1 3.22Å; L236-I240 WeakPolarHBondContact O-CG1 3.24Å; L236-I240 PolarHBondContact O-N 3.27Å
237	I	98.4	Very high	95.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-58.5	-45.5	174.8	-70.8	167	0	0	0	110.4	I153 L233 G234 C235 E239 I240 F241 I262 L266 Y270 L273 F291	I153-I237 HydrophobicContact CD1-CG1 4Å; I153-I237 HydrophobicContact CG1-CG1 4.25Å; I153-I237 HydrophobicContact CG2-CD1 4.31Å; I153-I237 HydrophobicContact CG2-CG1 4.43Å; L233-I237 HydrophobicContact CG-CD1 4.26Å; L233-I237 VanDerWaalsContact O-CG1 3.3Å; L233-I237 WeakPolarHBondContact O-CG1 3.29Å; L233-I237 PolarHBondContact O-N 3.32Å; G234-I237 PolarHBondContact O-N 2.94Å; C235-I237 PolarHBondContact O-N 3Å; I237-E239 VanDerWaalsContact C-N 3.33Å; I237-E239 PolarHBondContact O-N 2.97Å; I237-I240 PolarHBondContact O-N 3.28Å; I237-F241 HydrophobicContact CG2-CD2 4.08Å; I237-F241 HydrophobicContact CG2-CE2 4.21Å; I237-F241 VanDerWaalsContact O-CD2 3.26Å; I237-F241 WeakPolarHBondContact O-CD2 2.87Å; I237-F241 PolarHBondContact O-N 2.98Å; I237-I262 HydrophobicContact CG2-CG2 4.48Å; I237-L266 HydrophobicContact CG2-CD2 3.68Å; I237-L266 HydrophobicContact CG2-CG 4.42Å; I237-Y270 HydrophobicContact CB-CD2 4.08Å; I237-Y270 HydrophobicContact CG2-CD2 3.74Å; I237-Y270 HydrophobicContact CG2-CE2 4.4Å; I237-Y270 HydrophobicContact CG2-CG 4.4Å; I237-L273 HydrophobicContact CD1-CD1 3.76Å; I237-F291 HydrophobicContact CD1-CE1 4.48Å; I237-F291 HydrophobicContact CD1-CE2 3.93Å; I237-F291 HydrophobicContact CD1-CZ 3.64Å
238	W	97.8	Very high	95	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.8	-45.7	176.3	-177.6	98.2	0	0	0	111.3	G234 C235 L236 I240 F241 N242 L247 Q252 L253 Y258 Y270	G234-W238 PolarHBondContact O-N 3.49Å; C235-W238 WeakPolarHBondContact O-CB 3.5Å; C235-W238 PolarHBondContact O-N 3.21Å; C235-W238 VanDerWaalsContact O-N 3.14Å; L236-W238 VanDerWaalsContact C-N 3.31Å; L236-W238 PolarHBondContact O-N 2.95Å; W238-I240 PolarHBondContact O-N 3.17Å; W238-F241 PolarHBondContact O-N 2.79Å; W238-N242 HydrophobicContact CD2-CB 4.15Å; W238-N242 HydrophobicContact CE3-CB 4.21Å; W238-N242 HydrophobicContact CH2-CB 4.1Å; W238-N242 HydrophobicContact CZ2-CB 4.06Å; W238-N242 HydrophobicContact CZ3-CB 4.16Å; W238-N242 VanDerWaalsContact O-CB 3.26Å; W238-N242 WeakPolarHBondContact O-CB 3.13Å; W238-N242 PolarHBondContact O-N 3.05Å; W238-N242 PolarHBondContact O-ND2 3.28Å; W238-L247 HydrophobicContact CE3-CB 4.04Å; W238-L247 HydrophobicContact CE3-CD1 4.45Å; W238-L247 HydrophobicContact CH2-CB 4.15Å; W238-L247 HydrophobicContact CH2-CD1 4.45Å; W238-L247 HydrophobicContact CZ3-CB 3.63Å; W238-L247 HydrophobicContact CZ3-CD1 4.43Å; W238-Q252 HydrophobicContact CZ2-CB 4.08Å; W238-Q252 PolarHBondContact NE1-O 3.44Å; W238-L253 HydrophobicContact CB-CD2 3.91Å; W238-L253 HydrophobicContact CD2-CD2 4.35Å; W238-L253 HydrophobicContact CG-CD2 3.82Å; W238-Y258 AromaticContact CZ2-CD1 3.88Å; W238-Y258 HydrophobicContact CZ2-CD1 3.88Å; W238-Y258 HydrophobicContact CZ2-CD2 4.05Å; W238-Y258 HydrophobicContact CZ2-CE1 4.25Å; W238-Y258 HydrophobicContact CZ2-CE2 4.43Å; W238-Y258 AromaticContact CZ2-CG 3.79Å; W238-Y258 HydrophobicContact CZ2-CG 3.79Å; W238-Y258 AromaticContact NE1-CG 3.85Å; W238-Y270 HydrophobicContact CB-CE2 4.04Å; W238-Y270 VanDerWaalsContact CD1-OH 3.28Å
239	E	96.2	Very high	94.7	Very high	9 Å²	9	27 Å²	27	4%	0.042	15%	0.147	C	C	.	.	H	α-helix	trans	-64.9	-38.7	-179.2	-69.2	-178.3	112.7	0	0	112.5	R175 L176 Y220 C235 L236 I237 F241 N242	R175-E239 WeakPolarHBondContact CA-OE2 3.16Å; L176-E239 HydrophobicContact CD1-CB 3.62Å; L176-E239 HydrophobicContact CD1-CG 4.37Å; L176-E239 HydrophobicContact CD2-CB 4.28Å; L176-E239 HydrophobicContact CG-CB 3.55Å; L176-E239 HydrophobicContact CG-CG 4.28Å; L176-E239 PolarHBondContact N-OE2 2.98Å; Y220-E239 PolarHBondContact OH-OE1 3.31Å; C235-E239 WeakPolarHBondContact O-CG 3.44Å; C235-E239 PolarHBondContact O-N 3.33Å; L236-E239 PolarHBondContact O-N 2.99Å; I237-E239 VanDerWaalsContact C-N 3.33Å; I237-E239 PolarHBondContact O-N 2.97Å; E239-F241 VanDerWaalsContact C-N 3.32Å; E239-F241 PolarHBondContact O-N 3.18Å; E239-N242 CarbonylContact O-C 3.58Å; E239-N242 PolarHBondContact O-N 3.24Å
240	I	96.1	Very high	94.4	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-58.9	-43.4	177.4	-69.3	159.9	0	0	0	111.1	L136 F145 I153 L176 W187 L236 I237 W238	L136-I240 HydrophobicContact CD1-CB 4.4Å; L136-I240 HydrophobicContact CD1-CG1 4.05Å; L136-I240 HydrophobicContact CD1-CG2 4.31Å; F145-I240 HydrophobicContact CE1-CG2 4.31Å; F145-I240 HydrophobicContact CZ-CG2 4.04Å; I153-I240 HydrophobicContact CD1-CD1 4.3Å; I153-I240 HydrophobicContact CG1-CD1 3.99Å; L176-I240 HydrophobicContact CD2-CG1 4.12Å; W187-I240 HydrophobicContact CH2-CD1 3.69Å; W187-I240 HydrophobicContact CH2-CG1 4.11Å; W187-I240 HydrophobicContact CZ3-CD1 3.61Å; W187-I240 HydrophobicContact CZ3-CG1 4.34Å; L236-I240 HydrophobicContact CD1-CD1 4.14Å; L236-I240 HydrophobicContact CD1-CG1 4.27Å; L236-I240 HydrophobicContact CG-CD1 3.94Å; L236-I240 WeakPolarHBondContact O-CD1 3.39Å; L236-I240 VanDerWaalsContact O-CG1 3.22Å; L236-I240 WeakPolarHBondContact O-CG1 3.24Å; L236-I240 PolarHBondContact O-N 3.27Å; I237-I240 PolarHBondContact O-N 3.28Å; W238-I240 PolarHBondContact O-N 3.17Å
241	F	94.8	Very high	94	Very high	14 Å²	14	33.1 Å²	33.1	6%	0.061	18%	0.179	C	C	.	.	H	α-helix	trans	-93.6	-6.4	-176.6	-66.3	-71.1	0	0	0	113.9	F145 I153 I237 W238 E239 P243 R261 I262 P263 L266 F303	F145-F241 HydrophobicContact CD1-CE1 4.32Å; F145-F241 AromaticContact CE1-CD1 3.99Å; F145-F241 HydrophobicContact CE1-CD1 3.99Å; F145-F241 AromaticContact CE1-CE1 3.83Å; F145-F241 HydrophobicContact CE1-CE1 3.83Å; I153-F241 HydrophobicContact CD1-CE2 4.19Å; I237-F241 HydrophobicContact CG2-CD2 4.08Å; I237-F241 HydrophobicContact CG2-CE2 4.21Å; I237-F241 VanDerWaalsContact O-CD2 3.26Å; I237-F241 WeakPolarHBondContact O-CD2 2.87Å; I237-F241 PolarHBondContact O-N 2.98Å; W238-F241 PolarHBondContact O-N 2.79Å; E239-F241 VanDerWaalsContact C-N 3.32Å; E239-F241 PolarHBondContact O-N 3.18Å; F241-P243 WeakPolarHBondContact O-CD 3.46Å; F241-R261 WeakPolarHBondContact O-CB 3.4Å; F241-I262 HydrophobicContact CB-CG1 3.98Å; F241-I262 HydrophobicContact CD2-CG1 4.27Å; F241-I262 HydrophobicContact CD2-CG2 4.43Å; F241-I262 HydrophobicContact CG-CG1 4.4Å; F241-P263 HydrophobicContact CD1-CG 4.24Å; F241-P263 VanDerWaalsContact CE1-CD 3.43Å; F241-P263 HydrophobicContact CE1-CG 3.56Å; F241-P263 HydrophobicContact CE2-CG 4.3Å; F241-P263 VanDerWaalsContact CZ-CD 3.46Å; F241-P263 HydrophobicContact CZ-CG 3.61Å; F241-L266 HydrophobicContact CE2-CD2 3.76Å; F241-L266 HydrophobicContact CZ-CD2 4.42Å; F241-F303 HydrophobicContact CZ-CE1 4.33Å; F241-F303 AromaticContact CZ-CZ 3.94Å; F241-F303 HydrophobicContact CZ-CZ 3.94Å
242	N	94.1	Very high	93.9	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.183	C	C	.	.			trans	-122	56.4	175.6	-61.2	-75.8	0	0	0	112.4	W238 E239 S244 S245 Y258 R261	W238-N242 HydrophobicContact CD2-CB 4.15Å; W238-N242 HydrophobicContact CE3-CB 4.21Å; W238-N242 HydrophobicContact CH2-CB 4.1Å; W238-N242 HydrophobicContact CZ2-CB 4.06Å; W238-N242 HydrophobicContact CZ3-CB 4.16Å; W238-N242 VanDerWaalsContact O-CB 3.26Å; W238-N242 WeakPolarHBondContact O-CB 3.13Å; W238-N242 PolarHBondContact O-N 3.05Å; W238-N242 PolarHBondContact O-ND2 3.28Å; E239-N242 CarbonylContact O-C 3.58Å; E239-N242 PolarHBondContact O-N 3.24Å; N242-S244 VanDerWaalsContact C-N 3.25Å; N242-S244 PolarHBondContact O-N 3.39Å; N242-S244 VanDerWaalsContact O-N 3.12Å; N242-S245 PolarHBondContact O-N 2.73Å; N242-Y258 HydrophobicContact CB-CD1 4.41Å; N242-Y258 WeakPolarHBondContact OD1-CA 2.89Å; N242-Y258 WeakPolarHBondContact OD1-CD1 3.24Å; N242-Y258 PolarHBondContact OD1-O 3.49Å; N242-R261 WeakPolarHBondContact OD1-CD 3.38Å
243	P	89.8	Confident	93.7	Very high	59 Å²	59	33.9 Å²	33.9	38%	0.383	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-29	-171.9	19.4	-31.8	0	0	0	115.2	F4 F241 S245	F4-P243 HydrophobicContact CE1-CB 4.27Å; F4-P243 HydrophobicContact CE2-CB 3.57Å; F4-P243 HydrophobicContact CE2-CG 4.45Å; F4-P243 HydrophobicContact CZ-CB 3.25Å; F4-P243 HydrophobicContact CZ-CG 4.48Å; F241-P243 WeakPolarHBondContact O-CD 3.46Å; P243-S245 VanDerWaalsContact C-N 3.27Å; P243-S245 PolarHBondContact O-N 3.23Å
244	S	86.1	Confident	93.4	Very high	84 Å²	84	39.2 Å²	39.2	59%	0.587	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-0.8	-178.1	-44.3	0	0	0	0	113.5	N242	N242-S244 VanDerWaalsContact C-N 3.25Å; N242-S244 PolarHBondContact O-N 3.39Å; N242-S244 VanDerWaalsContact O-N 3.12Å
245	S	90.3	Very high	93.1	Very high	30 Å²	30	43.2 Å²	43.2	21%	0.21	23%	0.228	C	C	.	.			trans	-125.3	136.2	-169	-59	0	0	0	0	110.4	N242 P243 Y258	N242-S245 PolarHBondContact O-N 2.73Å; P243-S245 VanDerWaalsContact C-N 3.27Å; P243-S245 PolarHBondContact O-N 3.23Å; S245-Y258 VanDerWaalsContact OG-CE1 3.31Å; S245-Y258 WeakPolarHBondContact OG-CE1 3.5Å
246	I	90.1	Very high	92.8	Very high	123 Å²	123	46.9 Å²	46.9	63%	0.631	25%	0.254	S	S	*	.			trans	-97.4	125.8	177	-59.2	167	0	0	0	107.2	K248 Q252	I246-K248 HydrophobicContact CG2-CG 4.12Å; I246-K248 PolarHBondContact O-N 2.93Å; I246-Q252 PolarHBondContact O-NE2 3.04Å
247	L	91.7	Very high	92.5	Very high	7 Å²	7	49.2 Å²	49.2	4%	0.037	27%	0.27	C	S	.	.			trans	-73.6	109.5	175.1	-176.9	63.3	0	0	0	109.2	P219 Y220 C235 W238 D249 Q252 L253	P219-L247 HydrophobicContact CB-CD1 4.28Å; P219-L247 HydrophobicContact CB-CD2 4.13Å; P219-L247 HydrophobicContact CB-CG 3.83Å; P219-L247 HydrophobicContact CG-CD2 4.41Å; P219-L247 HydrophobicContact CG-CG 3.98Å; Y220-L247 HydrophobicContact CD1-CD2 4.15Å; Y220-L247 HydrophobicContact CE1-CD2 3.77Å; C235-L247 HydrophobicContact CB-CD2 4.11Å; W238-L247 HydrophobicContact CE3-CB 4.04Å; W238-L247 HydrophobicContact CE3-CD1 4.45Å; W238-L247 HydrophobicContact CH2-CB 4.15Å; W238-L247 HydrophobicContact CH2-CD1 4.45Å; W238-L247 HydrophobicContact CZ3-CB 3.63Å; W238-L247 HydrophobicContact CZ3-CD1 4.43Å; L247-D249 WeakPolarHBondContact CD1-O 3.08Å; L247-Q252 HydrophobicContact CD1-CB 3.93Å; L247-L253 HydrophobicContact CD1-CD2 3.92Å; L247-L253 HydrophobicContact CD1-CG 3.98Å; L247-L253 HydrophobicContact CD2-CD2 3.88Å; L247-L253 HydrophobicContact CD2-CG 4.44Å
248	K	89.6	Confident	92.2	Very high	149 Å²	149	51.5 Å²	51.5	65%	0.648	28%	0.279	S	S	*	.			trans	-115.3	-29.7	179.5	-64	-176.6	179.9	-176.6	0	112.4	I246	I246-K248 HydrophobicContact CG2-CG 4.12Å; I246-K248 PolarHBondContact O-N 2.93Å
249	D	89.6	Confident	91.9	Very high	71 Å²	71	52 Å²	52	38%	0.38	28%	0.283	S	S	.	.	S	Bend	trans	-136.6	149.5	-179.1	-177.2	37.9	0	0	0	112.3	L247 S251 Q252	L247-D249 WeakPolarHBondContact CD1-O 3.08Å; D249-S251 PolarHBondContact O-N 3.09Å; D249-S251 WeakPolarHBondContact OD2-CB 3.39Å; D249-S251 PolarHBondContact OD2-N 3.16Å; D249-S251 PolarHBondContact OD2-OG 3.3Å; D249-Q252 WeakPolarHBondContact O-CB 3.33Å; D249-Q252 PolarHBondContact O-N 2.78Å
250	R	90.9	Very high	91.6	Very high	75 Å²	75	59.8 Å²	59.8	28%	0.283	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-25.7	-179.1	-66.9	-170.5	-73.9	-164.5	2	112.6	P219 M221 P223 W231 Q252 L253	P219-R250 HydrophobicContact CB-CG 4.15Å; M221-R250 PolarHBondContact O-NH1 3.15Å; P223-R250 VanDerWaalsContact CA-NH1 3.33Å; W231-R250 HydrophobicContact CZ2-CG 4.15Å; R250-Q252 PolarHBondContact O-N 3.02Å; R250-L253 WeakPolarHBondContact O-CB 3.45Å; R250-L253 PolarHBondContact O-N 2.83Å
251	S	91.1	Very high	91.4	Very high	61 Å²	61	66 Å²	66	43%	0.427	34%	0.339	S	S	.	.	H	α-helix	trans	-59.8	-30.2	175.7	64.1	0	0	0	0	112.8	D249 L253 I254 E255	D249-S251 PolarHBondContact O-N 3.09Å; D249-S251 WeakPolarHBondContact OD2-CB 3.39Å; D249-S251 PolarHBondContact OD2-N 3.16Å; D249-S251 PolarHBondContact OD2-OG 3.3Å; S251-L253 PolarHBondContact O-N 3.14Å; S251-I254 VanDerWaalsContact O-CG1 3.27Å; S251-I254 WeakPolarHBondContact O-CG1 3.48Å; S251-I254 PolarHBondContact O-N 3.19Å; S251-E255 PolarHBondContact O-N 3.28Å; S251-E255 VanDerWaalsContact O-N 3.15Å
252	Q	93.7	Very high	91.5	Very high	26 Å²	26	65.5 Å²	65.5	12%	0.121	34%	0.338	C	S	.	.	H	α-helix	trans	-65.9	-25.9	179.4	-62	178	-87	0	0	113	W238 I246 L247 D249 R250 I254 Y258	W238-Q252 HydrophobicContact CZ2-CB 4.08Å; W238-Q252 PolarHBondContact NE1-O 3.44Å; I246-Q252 PolarHBondContact O-NE2 3.04Å; L247-Q252 HydrophobicContact CD1-CB 3.93Å; D249-Q252 WeakPolarHBondContact O-CB 3.33Å; D249-Q252 PolarHBondContact O-N 2.78Å; R250-Q252 PolarHBondContact O-N 3.02Å; Q252-I254 VanDerWaalsContact C-N 3.29Å; Q252-I254 PolarHBondContact O-N 2.94Å; Q252-Y258 HydrophobicContact CB-CD2 4.14Å; Q252-Y258 HydrophobicContact CB-CE2 4.06Å; Q252-Y258 HydrophobicContact CG-CE2 4.12Å; Q252-Y258 WeakPolarHBondContact O-CD2 3.37Å
253	L	93.8	Very high	91.5	Very high	1 Å²	1	66.6 Å²	66.6	1%	0.005	35%	0.345	C	S	.	.	H	α-helix	trans	-69.1	-28.6	179.4	-64.9	171.6	0	0	0	112.2	W231 W238 L247 R250 S251 Y270 I274	W231-L253 HydrophobicContact CH2-CD1 4.08Å; W231-L253 HydrophobicContact CZ2-CD1 3.4Å; W238-L253 HydrophobicContact CB-CD2 3.91Å; W238-L253 HydrophobicContact CD2-CD2 4.35Å; W238-L253 HydrophobicContact CG-CD2 3.82Å; L247-L253 HydrophobicContact CD1-CD2 3.92Å; L247-L253 HydrophobicContact CD1-CG 3.98Å; L247-L253 HydrophobicContact CD2-CD2 3.88Å; L247-L253 HydrophobicContact CD2-CG 4.44Å; R250-L253 WeakPolarHBondContact O-CB 3.45Å; R250-L253 PolarHBondContact O-N 2.83Å; S251-L253 PolarHBondContact O-N 3.14Å; L253-Y270 PolarHBondContact O-OH 3.17Å; L253-I274 HydrophobicContact CB-CD1 3.84Å; L253-I274 HydrophobicContact CD1-CG2 4.48Å; L253-I274 WeakPolarHBondContact O-CD1 3.25Å
254	I	92.1	Very high	91.7	Very high	112 Å²	112	73.2 Å²	73.2	57%	0.574	37%	0.367	S	S	*	.	H	α-helix	trans	-105.5	-9.2	-178.3	59.6	170.7	0	0	0	113.1	S251 Q252 I274	S251-I254 VanDerWaalsContact O-CG1 3.27Å; S251-I254 WeakPolarHBondContact O-CG1 3.48Å; S251-I254 PolarHBondContact O-N 3.19Å; Q252-I254 VanDerWaalsContact C-N 3.29Å; Q252-I254 PolarHBondContact O-N 2.94Å; I254-I274 HydrophobicContact CG2-CD1 3.99Å
255	E	93.3	Very high	92.1	Very high	84 Å²	84	71.4 Å²	71.4	39%	0.393	36%	0.358	S	S	.	.			trans	-63.5	136.8	-178.3	-164.3	-172.6	144.7	0	0	111.5	S251 S257 Y258 S259	S251-E255 PolarHBondContact O-N 3.28Å; S251-E255 VanDerWaalsContact O-N 3.15Å; E255-S257 VanDerWaalsContact C-N 3.28Å; E255-S257 PolarHBondContact O-N 3.16Å; E255-S257 PolarHBondContact OE1-OG 3.46Å; E255-Y258 HydrophobicContact CB-CD2 3.96Å; E255-Y258 HydrophobicContact CB-CE2 4.48Å; E255-Y258 PolarHBondContact O-N 3.46Å; E255-Y258 VanDerWaalsContact OE2-CE2 3.29Å; E255-Y258 WeakPolarHBondContact OE2-CE2 3.45Å; E255-S259 WeakPolarHBondContact O-CB 3.4Å; E255-S259 PolarHBondContact O-N 3.28Å; E255-S259 PolarHBondContact O-OG 3.4Å
256	S	91.2	Very high	92.4	Very high	78 Å²	78	70 Å²	70	55%	0.545	35%	0.348	S	S	.	.	H	α-helix	trans	-65.3	-28.3	-175.3	70.7	0	0	0	0	113.8	K260	S256-K260 WeakPolarHBondContact O-CD 3.01Å; S256-K260 WeakPolarHBondContact O-CG 3.47Å; S256-K260 PolarHBondContact O-N 3.04Å
257	S	91.6	Very high	92.7	Very high	48 Å²	48	65.7 Å²	65.7	34%	0.336	33%	0.326	S	S	.	.	H	α-helix	trans	-65.6	-44.8	-179.2	61.6	0	0	0	0	111.9	E255	E255-S257 VanDerWaalsContact C-N 3.28Å; E255-S257 PolarHBondContact O-N 3.16Å; E255-S257 PolarHBondContact OE1-OG 3.46Å
258	Y	92.5	Very high	92.8	Very high	49 Å²	49	70 Å²	70	19%	0.192	35%	0.346	C	S	.	.	H	α-helix	trans	-78.4	-39.1	176.4	-57.8	-62.6	0	0	0	112.2	W238 N242 S245 Q252 E255 K260 R261	W238-Y258 AromaticContact CZ2-CD1 3.88Å; W238-Y258 HydrophobicContact CZ2-CD1 3.88Å; W238-Y258 HydrophobicContact CZ2-CD2 4.05Å; W238-Y258 HydrophobicContact CZ2-CE1 4.25Å; W238-Y258 HydrophobicContact CZ2-CE2 4.43Å; W238-Y258 AromaticContact CZ2-CG 3.79Å; W238-Y258 HydrophobicContact CZ2-CG 3.79Å; W238-Y258 AromaticContact NE1-CG 3.85Å; N242-Y258 HydrophobicContact CB-CD1 4.41Å; N242-Y258 WeakPolarHBondContact OD1-CA 2.89Å; N242-Y258 WeakPolarHBondContact OD1-CD1 3.24Å; N242-Y258 PolarHBondContact OD1-O 3.49Å; S245-Y258 VanDerWaalsContact OG-CE1 3.31Å; S245-Y258 WeakPolarHBondContact OG-CE1 3.5Å; Q252-Y258 HydrophobicContact CB-CD2 4.14Å; Q252-Y258 HydrophobicContact CB-CE2 4.06Å; Q252-Y258 HydrophobicContact CG-CE2 4.12Å; Q252-Y258 WeakPolarHBondContact O-CD2 3.37Å; E255-Y258 HydrophobicContact CB-CD2 3.96Å; E255-Y258 HydrophobicContact CB-CE2 4.48Å; E255-Y258 PolarHBondContact O-N 3.46Å; E255-Y258 VanDerWaalsContact OE2-CE2 3.29Å; E255-Y258 WeakPolarHBondContact OE2-CE2 3.45Å; Y258-K260 PolarHBondContact O-N 3.04Å; Y258-R261 PolarHBondContact O-N 2.97Å; Y258-R261 VanDerWaalsContact O-N 3.08Å
259	S	90.9	Very high	93.1	Very high	10 Å²	10	63.3 Å²	63.3	7%	0.07	32%	0.317	C	S	.	.	H	α-helix	trans	-58.9	-30.9	179	-67.2	0	0	0	0	113.2	E255 R261 I262	E255-S259 WeakPolarHBondContact O-CB 3.4Å; E255-S259 PolarHBondContact O-N 3.28Å; E255-S259 PolarHBondContact O-OG 3.4Å; S259-R261 PolarHBondContact O-N 2.98Å; S259-I262 PolarHBondContact O-N 3.45Å
260	K	91.3	Very high	93.5	Very high	172 Å²	172	60 Å²	60	75%	0.748	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-19.3	178.4	-77.6	169.5	-173.6	-179.6	0	114.1	S256 Y258	S256-K260 WeakPolarHBondContact O-CD 3.01Å; S256-K260 WeakPolarHBondContact O-CG 3.47Å; S256-K260 PolarHBondContact O-N 3.04Å; Y258-K260 PolarHBondContact O-N 3.04Å
261	R	92	Very high	93.7	Very high	132 Å²	132	63 Å²	63	50%	0.498	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-21	178.5	-61.3	-170.7	-176.2	179.6	-0.2	112.9	F241 N242 Y258 S259	F241-R261 WeakPolarHBondContact O-CB 3.4Å; N242-R261 WeakPolarHBondContact OD1-CD 3.38Å; Y258-R261 PolarHBondContact O-N 2.97Å; Y258-R261 VanDerWaalsContact O-N 3.08Å; S259-R261 PolarHBondContact O-N 2.98Å
262	I	95.2	Very high	93.9	Very high	5 Å²	5	63.6 Å²	63.6	3%	0.026	30%	0.303	C	S	.	.	S	Bend	trans	-73.3	134.5	173.6	-60.6	174	0	0	0	108.1	I237 F241 S259 K264 L266 I267 Y270	I237-I262 HydrophobicContact CG2-CG2 4.48Å; F241-I262 HydrophobicContact CB-CG1 3.98Å; F241-I262 HydrophobicContact CD2-CG1 4.27Å; F241-I262 HydrophobicContact CD2-CG2 4.43Å; F241-I262 HydrophobicContact CG-CG1 4.4Å; S259-I262 PolarHBondContact O-N 3.45Å; I262-K264 PolarHBondContact O-N 3.44Å; I262-L266 HydrophobicContact CG2-CB 4.14Å; I262-L266 HydrophobicContact CG2-CD2 4.18Å; I262-L266 HydrophobicContact CG2-CG 4.23Å; I262-I267 HydrophobicContact CB-CD1 4.05Å; I262-I267 HydrophobicContact CD1-CD1 4.32Å; I262-I267 HydrophobicContact CG2-CD1 4.19Å; I262-Y270 HydrophobicContact CD1-CD1 3.68Å; I262-Y270 HydrophobicContact CD1-CD2 4.07Å; I262-Y270 HydrophobicContact CD1-CE1 3.53Å; I262-Y270 HydrophobicContact CD1-CE2 3.94Å; I262-Y270 HydrophobicContact CD1-CG 3.94Å
263	P	94.9	Very high	94.1	Very high	22 Å²	22	62.3 Å²	62.3	14%	0.143	30%	0.297	C	S	.	.			trans	-52.6	137.7	178.2	-29.6	36.5	0	0	0	112.5	F241 A265 L266 I267 F303	F241-P263 HydrophobicContact CD1-CG 4.24Å; F241-P263 VanDerWaalsContact CE1-CD 3.43Å; F241-P263 HydrophobicContact CE1-CG 3.56Å; F241-P263 HydrophobicContact CE2-CG 4.3Å; F241-P263 VanDerWaalsContact CZ-CD 3.46Å; F241-P263 HydrophobicContact CZ-CG 3.61Å; P263-A265 PolarHBondContact O-N 2.72Å; P263-L266 HydrophobicContact CB-CB 4.3Å; P263-L266 WeakPolarHBondContact O-CA 3.49Å; P263-L266 PolarHBondContact O-N 3.29Å; P263-I267 PolarHBondContact O-N 3.14Å; P263-I267 VanDerWaalsContact O-N 3.09Å; P263-F303 HydrophobicContact CB-CD2 3.73Å; P263-F303 HydrophobicContact CB-CE2 3.63Å; P263-F303 HydrophobicContact CB-CZ 4.49Å; P263-F303 HydrophobicContact CG-CD2 4.1Å; P263-F303 HydrophobicContact CG-CE2 3.5Å; P263-F303 HydrophobicContact CG-CZ 3.95Å
264	K	94.1	Very high	94.2	Very high	198 Å²	198	62.7 Å²	62.7	86%	0.861	30%	0.299	S	S	*	.	H	α-helix	trans	-57.7	-34.8	-178.7	-65.5	-177.5	-179	178.6	0	112.7	I262 L266 I267	I262-K264 PolarHBondContact O-N 3.44Å; K264-L266 PolarHBondContact O-N 2.86Å; K264-I267 VanDerWaalsContact O-CG2 3.31Å; K264-I267 WeakPolarHBondContact O-CG2 3.39Å
265	A	94.9	Very high	94.3	Very high	47 Å²	47	57.8 Å²	57.8	39%	0.388	28%	0.275	S	S	.	.	H	α-helix	trans	-69.2	-15	176.1	0	0	0	0	0	113.8	P263 F303	P263-A265 PolarHBondContact O-N 2.72Å; A265-F303 HydrophobicContact CB-CB 4.07Å; A265-F303 HydrophobicContact CB-CD2 4.48Å
266	L	96.5	Very high	94.1	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-105.9	-21.1	-179.2	-173.4	58.9	0	0	0	112.8	I153 I237 F241 I262 P263 K264 H268 D269 Y270 F291 T295 F303	I153-L266 HydrophobicContact CD1-CD2 4.15Å; I237-L266 HydrophobicContact CG2-CD2 3.68Å; I237-L266 HydrophobicContact CG2-CG 4.42Å; F241-L266 HydrophobicContact CE2-CD2 3.76Å; F241-L266 HydrophobicContact CZ-CD2 4.42Å; I262-L266 HydrophobicContact CG2-CB 4.14Å; I262-L266 HydrophobicContact CG2-CD2 4.18Å; I262-L266 HydrophobicContact CG2-CG 4.23Å; P263-L266 HydrophobicContact CB-CB 4.3Å; P263-L266 WeakPolarHBondContact O-CA 3.49Å; P263-L266 PolarHBondContact O-N 3.29Å; K264-L266 PolarHBondContact O-N 2.86Å; L266-H268 VanDerWaalsContact C-N 3.31Å; L266-H268 PolarHBondContact O-N 2.96Å; L266-D269 PolarHBondContact O-N 3.42Å; L266-Y270 VanDerWaalsContact O-CB 3.29Å; L266-Y270 WeakPolarHBondContact O-CB 3.41Å; L266-Y270 PolarHBondContact O-N 3.42Å; L266-F291 HydrophobicContact CD1-CE2 3.87Å; L266-F291 HydrophobicContact CD1-CZ 3.93Å; L266-T295 HydrophobicContact CD1-CG2 4Å; L266-F303 HydrophobicContact CB-CB 3.79Å; L266-F303 HydrophobicContact CB-CD1 4.13Å; L266-F303 HydrophobicContact CB-CD2 4.31Å; L266-F303 HydrophobicContact CB-CG 3.81Å; L266-F303 HydrophobicContact CD1-CB 4.09Å; L266-F303 HydrophobicContact CD1-CD1 4.01Å; L266-F303 HydrophobicContact CD1-CG 4.32Å; L266-F303 HydrophobicContact CD2-CD1 3.78Å; L266-F303 HydrophobicContact CD2-CE1 3.99Å; L266-F303 HydrophobicContact CD2-CG 4.32Å; L266-F303 HydrophobicContact CG-CB 4.45Å; L266-F303 HydrophobicContact CG-CD1 4.19Å; L266-F303 HydrophobicContact CG-CG 4.37Å
267	I	95.7	Very high	93.8	Very high	33 Å²	33	58.4 Å²	58.4	17%	0.169	27%	0.273	C	S	.	.	H	α-helix	trans	-60.9	-36.3	-168.4	-164.9	66	0	0	0	113.5	I262 P263 K264 Y270 R271	I262-I267 HydrophobicContact CB-CD1 4.05Å; I262-I267 HydrophobicContact CD1-CD1 4.32Å; I262-I267 HydrophobicContact CG2-CD1 4.19Å; P263-I267 PolarHBondContact O-N 3.14Å; P263-I267 VanDerWaalsContact O-N 3.09Å; K264-I267 VanDerWaalsContact O-CG2 3.31Å; K264-I267 WeakPolarHBondContact O-CG2 3.39Å; I267-Y270 HydrophobicContact CD1-CD1 3.93Å; I267-Y270 HydrophobicContact CD1-CE1 4.48Å; I267-R271 WeakPolarHBondContact O-CB 3.22Å; I267-R271 VanDerWaalsContact O-CG 3.29Å; I267-R271 WeakPolarHBondContact O-CG 3.49Å; I267-R271 PolarHBondContact O-N 2.96Å
268	H	94.1	Very high	93.3	Very high	97 Å²	97	56.4 Å²	56.4	45%	0.449	26%	0.26	S	S	.	.	H	α-helix	trans	-64	-53.2	178.7	170.6	-90.6	0	0	0	110.8	L266 Y270 R271 R272	L266-H268 VanDerWaalsContact C-N 3.31Å; L266-H268 PolarHBondContact O-N 2.96Å; H268-Y270 PolarHBondContact O-N 2.79Å; H268-R271 PolarHBondContact O-N 3.37Å; H268-R272 WeakPolarHBondContact O-CG 3.31Å; H268-R272 PolarHBondContact O-N 3.32Å; H268-R272 VanDerWaalsContact O-N 3.15Å
269	D	96.5	Very high	92.5	Very high	9 Å²	9	58 Å²	58	5%	0.048	27%	0.274	C	S	.	.	H	α-helix	trans	-70.1	-34.6	-177.3	-54.4	-62.6	0	0	0	111.8	L266 R271 R272 L273 F291 S294 T295	L266-D269 PolarHBondContact O-N 3.42Å; D269-R271 PolarHBondContact O-N 3.15Å; D269-R272 WeakPolarHBondContact O-CB 3.46Å; D269-R272 PolarHBondContact O-N 3.44Å; D269-L273 PolarHBondContact O-N 3.16Å; D269-L273 VanDerWaalsContact O-N 3.09Å; D269-F291 HydrophobicContact CB-CD2 3.77Å; D269-F291 HydrophobicContact CB-CE2 3.87Å; D269-S294 VanDerWaalsContact OD1-CB 3.27Å; D269-S294 WeakPolarHBondContact OD1-CB 3.45Å; D269-S294 PolarHBondContact OD1-OG 2.82Å; D269-T295 HydrophobicContact CB-CG2 3.51Å; D269-T295 WeakPolarHBondContact OD2-CG2 3.37Å
270	Y	97.4	Very high	91.4	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-55.1	-49.7	168.6	164.7	-103.9	0	0	0	111.7	G234 I237 W238 L253 I262 L266 I267 H268 R272 L273 I274	G234-Y270 VanDerWaalsContact O-CE2 3.25Å; G234-Y270 WeakPolarHBondContact O-CE2 3.17Å; I237-Y270 HydrophobicContact CB-CD2 4.08Å; I237-Y270 HydrophobicContact CG2-CD2 3.74Å; I237-Y270 HydrophobicContact CG2-CE2 4.4Å; I237-Y270 HydrophobicContact CG2-CG 4.4Å; W238-Y270 HydrophobicContact CB-CE2 4.04Å; W238-Y270 VanDerWaalsContact CD1-OH 3.28Å; L253-Y270 PolarHBondContact O-OH 3.17Å; I262-Y270 HydrophobicContact CD1-CD1 3.68Å; I262-Y270 HydrophobicContact CD1-CD2 4.07Å; I262-Y270 HydrophobicContact CD1-CE1 3.53Å; I262-Y270 HydrophobicContact CD1-CE2 3.94Å; I262-Y270 HydrophobicContact CD1-CG 3.94Å; L266-Y270 VanDerWaalsContact O-CB 3.29Å; L266-Y270 WeakPolarHBondContact O-CB 3.41Å; L266-Y270 PolarHBondContact O-N 3.42Å; I267-Y270 HydrophobicContact CD1-CD1 3.93Å; I267-Y270 HydrophobicContact CD1-CE1 4.48Å; H268-Y270 PolarHBondContact O-N 2.79Å; Y270-R272 PolarHBondContact O-N 3.35Å; Y270-L273 WeakPolarHBondContact O-CB 3.2Å; Y270-L273 PolarHBondContact O-N 3.16Å; Y270-I274 HydrophobicContact CD1-CD1 4.43Å; Y270-I274 HydrophobicContact CE1-CD1 3.65Å; Y270-I274 HydrophobicContact CE1-CG1 4.35Å; Y270-I274 HydrophobicContact CE2-CD1 4.39Å; Y270-I274 HydrophobicContact CE2-CG2 4.15Å; Y270-I274 WeakPolarHBondContact O-CG1 3.15Å; Y270-I274 PolarHBondContact O-N 3.35Å
271	R	95.6	Very high	90.2	Very high	139 Å²	139	61.1 Å²	61.1	53%	0.525	31%	0.306	S	S	.	.	H	α-helix	trans	-62.3	-30.7	178.3	-77	175.7	175.9	172.7	-1.4	112.7	I267 H268 D269 A275	I267-R271 WeakPolarHBondContact O-CB 3.22Å; I267-R271 VanDerWaalsContact O-CG 3.29Å; I267-R271 WeakPolarHBondContact O-CG 3.49Å; I267-R271 PolarHBondContact O-N 2.96Å; H268-R271 PolarHBondContact O-N 3.37Å; D269-R271 PolarHBondContact O-N 3.15Å; R271-A275 PolarHBondContact O-N 3.37Å
272	R	95.9	Very high	89.4	Confident	73 Å²	73	58.7 Å²	58.7	28%	0.275	32%	0.322	S	S	.	.	H	α-helix	trans	-71.1	-31.3	174.1	-66.3	-71.1	-174.4	165.9	0.4	112.5	H268 D269 Y270 R285 F286	H268-R272 WeakPolarHBondContact O-CG 3.31Å; H268-R272 PolarHBondContact O-N 3.32Å; H268-R272 VanDerWaalsContact O-N 3.15Å; D269-R272 WeakPolarHBondContact O-CB 3.46Å; D269-R272 PolarHBondContact O-N 3.44Å; Y270-R272 PolarHBondContact O-N 3.35Å; R272-R285 CarbonylContact O-C 3.56Å; R272-R285 VanDerWaalsContact O-CA 3.23Å; R272-R285 WeakPolarHBondContact O-CA 3.24Å; R272-F286 HydrophobicContact CB-CB 4.13Å; R272-F286 HydrophobicContact CB-CD1 3.78Å; R272-F286 HydrophobicContact CB-CD2 3.42Å; R272-F286 VanDerWaalsContact CB-CD2 3.42Å; R272-F286 HydrophobicContact CB-CE1 4.01Å; R272-F286 HydrophobicContact CB-CE2 3.67Å; R272-F286 HydrophobicContact CB-CG 3.49Å; R272-F286 VanDerWaalsContact CB-CG 3.49Å; R272-F286 HydrophobicContact CB-CZ 3.96Å; R272-F286 HydrophobicContact CG-CD1 4.21Å; R272-F286 HydrophobicContact CG-CD2 4.07Å; R272-F286 HydrophobicContact CG-CE1 3.92Å; R272-F286 HydrophobicContact CG-CE2 3.76Å; R272-F286 HydrophobicContact CG-CG 4.29Å; R272-F286 HydrophobicContact CG-CZ 3.69Å; R272-F286 PolarHBondContact O-N 3.13Å
273	L	97	Very high	88.8	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-68.8	-36.8	173.1	-72.6	173.9	0	0	0	112.7	L233 I237 D269 Y270 R285 F286 F291	L233-L273 HydrophobicContact CB-CD1 4.28Å; L233-L273 HydrophobicContact CD2-CD1 4.01Å; L233-L273 HydrophobicContact CD2-CD2 4.46Å; L233-L273 HydrophobicContact CG-CD1 3.9Å; I237-L273 HydrophobicContact CD1-CD1 3.76Å; D269-L273 PolarHBondContact O-N 3.16Å; D269-L273 VanDerWaalsContact O-N 3.09Å; Y270-L273 WeakPolarHBondContact O-CB 3.2Å; Y270-L273 PolarHBondContact O-N 3.16Å; L273-R285 VanDerWaalsContact O-CD 3.32Å; L273-R285 WeakPolarHBondContact O-CD 3.13Å; L273-R285 VanDerWaalsContact O-CG 3.25Å; L273-R285 WeakPolarHBondContact O-CG 3.22Å; L273-F286 HydrophobicContact CD2-CB 4.36Å; L273-F291 HydrophobicContact CD1-CB 4.48Å; L273-F291 HydrophobicContact CD1-CD1 4.35Å; L273-F291 HydrophobicContact CD1-CD2 3.41Å; L273-F291 VanDerWaalsContact CD1-CD2 3.41Å; L273-F291 HydrophobicContact CD1-CE2 3.61Å; L273-F291 HydrophobicContact CD1-CG 3.82Å; L273-F291 HydrophobicContact CD1-CZ 4.17Å; L273-F291 HydrophobicContact CD2-CB 3.77Å; L273-F291 HydrophobicContact CD2-CD2 4.19Å; L273-F291 HydrophobicContact CD2-CG 4.02Å; L273-F291 HydrophobicContact CG-CB 4.22Å; L273-F291 HydrophobicContact CG-CD2 3.72Å; L273-F291 HydrophobicContact CG-CE2 4.36Å; L273-F291 HydrophobicContact CG-CG 4.07Å
274	I	95.3	Very high	88.6	Confident	8 Å²	8	66.6 Å²	66.6	4%	0.041	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	19.3	-179.7	64.7	160.2	0	0	0	113.6	W231 L253 I254 Y270	W231-I274 HydrophobicContact CE3-CB 4.26Å; W231-I274 HydrophobicContact CH2-CB 4.43Å; W231-I274 HydrophobicContact CZ3-CB 4.07Å; W231-I274 WeakPolarHBondContact CZ3-O 3.39Å; L253-I274 HydrophobicContact CB-CD1 3.84Å; L253-I274 HydrophobicContact CD1-CG2 4.48Å; L253-I274 WeakPolarHBondContact O-CD1 3.25Å; I254-I274 HydrophobicContact CG2-CD1 3.99Å; Y270-I274 HydrophobicContact CD1-CD1 4.43Å; Y270-I274 HydrophobicContact CE1-CD1 3.65Å; Y270-I274 HydrophobicContact CE1-CG1 4.35Å; Y270-I274 HydrophobicContact CE2-CD1 4.39Å; Y270-I274 HydrophobicContact CE2-CG2 4.15Å; Y270-I274 WeakPolarHBondContact O-CG1 3.15Å; Y270-I274 PolarHBondContact O-N 3.35Å
275	A	93.9	Very high	88.6	Confident	9 Å²	9	57.1 Å²	57.1	7%	0.074	32%	0.319	C	S	.	.			trans	-65.1	147.2	176.9	0	0	0	0	0	110.5	R271 V283 R285	R271-A275 PolarHBondContact O-N 3.37Å; A275-V283 HydrophobicContact CB-CB 4.44Å; A275-V283 HydrophobicContact CB-CG1 3.93Å; A275-V283 VanDerWaalsContact CB-O 3.32Å; A275-V283 WeakPolarHBondContact CB-O 3.34Å; A275-R285 HydrophobicContact CB-CB 4.14Å; A275-R285 PolarHBondContact O-NE 3.29Å; A275-R285 PolarHBondContact O-NH2 3.03Å
276	Q	89.1	Confident	88.7	Confident	144 Å²	144	56.6 Å²	56.6	67%	0.673	31%	0.308	S	S	*	.	S	Bend	trans	-74	-30	-170.7	-65.1	-176.3	11.1	0	0	114	R285	Q276-R285 PolarHBondContact O-NH2 3.39Å
277	S	85.7	Confident	88.7	Confident	32 Å²	32	58.6 Å²	58.6	22%	0.224	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-114.3	132.8	-177.2	-179.6	0	0	0	0	112.2	K280 R285	S277-K280 PolarHBondContact OG-N 2.77Å; S277-K280 PolarHBondContact OG-O 2.78Å; S277-R285 PolarHBondContact O-N 3.04Å
278	A	81.7	Confident	88.8	Confident	6 Å²	6	57.1 Å²	57.1	5%	0.05	31%	0.313	C	S	.	.	S	Bend	trans	-84.3	-28.7	175.1	0	0	0	0	0	114.8	D224 R226 L227	D224-A278 WeakPolarHBondContact OD2-CB 3.11Å; D224-A278 PolarHBondContact OD2-N 3.33Å; R226-A278 HydrophobicContact CB-CB 3.74Å; L227-A278 HydrophobicContact CD1-CB 4.2Å
279	T	74.7	Confident	89	Confident	81 Å²	81	54.7 Å²	54.7	50%	0.497	31%	0.307	S	S	.	.	S	Bend	trans	-123.5	-39.7	-165	52.2	0	0	0	0	115.2
280	K	67.2	Low	89	Confident	182 Å²	182	57.7 Å²	57.7	79%	0.791	32%	0.32	S	S	*	.	S	Bend	trans	-149.4	143.8	-173.5	-64.8	-171.3	179.1	-175.5	0	112.7	S277	S277-K280 PolarHBondContact OG-N 2.77Å; S277-K280 PolarHBondContact OG-O 2.78Å
281	G	67	Low	89	Confident	67 Å²	67	57.7 Å²	57.7	69%	0.691	32%	0.32	S	S	*	.	S	Bend	trans	83.5	115.1	175.1	0	0	0	0	0	113.5
282	G	75.3	Confident	89.2	Confident	81 Å²	81	52.1 Å²	52.1	84%	0.835	30%	0.301	S	S	*	.	S	Bend	trans	71.7	-148.1	175.6	0	0	0	0	0	114.6	K284	G282-K284 PolarHBondContact O-N 3.43Å
283	V	82.1	Confident	89.2	Confident	79 Å²	79	55.5 Å²	55.5	48%	0.479	32%	0.32	S	S	.	.	S	Bend	trans	-70.1	110	-177.3	178.7	0	0	0	0	109.6	A275	A275-V283 HydrophobicContact CB-CB 4.44Å; A275-V283 HydrophobicContact CB-CG1 3.93Å; A275-V283 VanDerWaalsContact CB-O 3.32Å; A275-V283 WeakPolarHBondContact CB-O 3.34Å
284	K	91	Very high	89.2	Confident	113 Å²	113	56.6 Å²	56.6	49%	0.491	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-66.9	136.2	174.5	-177.9	177.9	177.3	177.9	0	111.7	G282	G282-K284 PolarHBondContact O-N 3.43Å
285	R	94.6	Very high	89.3	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-67.1	132.2	172	-167.3	-179.7	-62.2	128.7	8.7	111.8	P222 D224 R226 L227 R272 L273 A275 Q276 S277	P222-R285 VanDerWaalsContact CB-CZ 3.49Å; D224-R285 IonicContact OD1-CZ 3.21Å; D224-R285 IonicContact OD1-NH1 3.12Å; D224-R285 PolarHBondContact OD1-NH1 3.45Å; D224-R285 IonicContact OD1-NH2 2.74Å; D224-R285 PolarHBondContact OD1-NH2 2.91Å; D224-R285 IonicContact OD2-NH1 3.46Å; D224-R285 IonicContact OD2-NH2 3.58Å; R226-R285 PolarHBondContact O-NH1 3.36Å; L227-R285 HydrophobicContact CD1-CB 4.27Å; L227-R285 HydrophobicContact CD1-CG 4.34Å; R272-R285 CarbonylContact O-C 3.56Å; R272-R285 VanDerWaalsContact O-CA 3.23Å; R272-R285 WeakPolarHBondContact O-CA 3.24Å; L273-R285 VanDerWaalsContact O-CD 3.32Å; L273-R285 WeakPolarHBondContact O-CD 3.13Å; L273-R285 VanDerWaalsContact O-CG 3.25Å; L273-R285 WeakPolarHBondContact O-CG 3.22Å; A275-R285 HydrophobicContact CB-CB 4.14Å; A275-R285 PolarHBondContact O-NE 3.29Å; A275-R285 PolarHBondContact O-NH2 3.03Å; Q276-R285 PolarHBondContact O-NH2 3.39Å; S277-R285 PolarHBondContact O-N 3.04Å
286	F	95.7	Very high	89.4	Confident	36 Å²	36	58 Å²	58	16%	0.158	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-73.2	142.2	173.7	-80.5	2	0	0	0	111.6	S230 R272 L273 Q290 F291	S230-F286 WeakPolarHBondContact CB-O 3.47Å; S230-F286 PolarHBondContact OG-O 3.06Å; R272-F286 HydrophobicContact CB-CB 4.13Å; R272-F286 HydrophobicContact CB-CD1 3.78Å; R272-F286 HydrophobicContact CB-CD2 3.42Å; R272-F286 VanDerWaalsContact CB-CD2 3.42Å; R272-F286 HydrophobicContact CB-CE1 4.01Å; R272-F286 HydrophobicContact CB-CE2 3.67Å; R272-F286 HydrophobicContact CB-CG 3.49Å; R272-F286 VanDerWaalsContact CB-CG 3.49Å; R272-F286 HydrophobicContact CB-CZ 3.96Å; R272-F286 HydrophobicContact CG-CD1 4.21Å; R272-F286 HydrophobicContact CG-CD2 4.07Å; R272-F286 HydrophobicContact CG-CE1 3.92Å; R272-F286 HydrophobicContact CG-CE2 3.76Å; R272-F286 HydrophobicContact CG-CG 4.29Å; R272-F286 HydrophobicContact CG-CZ 3.69Å; R272-F286 PolarHBondContact O-N 3.13Å; L273-F286 HydrophobicContact CD2-CB 4.36Å; F286-Q290 HydrophobicContact CB-CB 4.2Å; F286-Q290 HydrophobicContact CD1-CB 4.39Å; F286-Q290 HydrophobicContact CD2-CB 4.43Å; F286-Q290 HydrophobicContact CG-CB 4.1Å; F286-F291 HydrophobicContact CB-CB 4.49Å; F286-F291 HydrophobicContact CD2-CB 4.4Å
287	T	96.5	Very high	89.6	Confident	41 Å²	41	53.5 Å²	53.5	25%	0.252	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-70.2	161.9	157.5	62.4	0	0	0	0	109.8	L227 S289 Q290 F291	L227-T287 HydrophobicContact CD1-CG2 4.38Å; L227-T287 HydrophobicContact CD2-CG2 4.02Å; T287-S289 PolarHBondContact O-N 3.22Å; T287-Q290 PolarHBondContact O-N 3.11Å; T287-Q290 WeakPolarHBondContact OG1-CB 3.34Å; T287-Q290 VanDerWaalsContact OG1-CG 3.28Å; T287-Q290 WeakPolarHBondContact OG1-CG 3.43Å; T287-Q290 PolarHBondContact OG1-N 2.98Å; T287-Q290 PolarHBondContact OG1-OE1 3.49Å; T287-F291 PolarHBondContact O-N 3.1Å
288	V	98.2	Very high	89.8	Confident	3 Å²	3	55.8 Å²	55.8	2%	0.018	33%	0.327	C	S	.	.	H	α-helix	trans	-61	-36.4	176.6	-174.1	0	0	0	0	111.5	A157 L160 I161 S230 L233 F291 L292	A157-V288 HydrophobicContact CB-CG1 3.79Å; A157-V288 WeakPolarHBondContact O-CG1 3.43Å; L160-V288 HydrophobicContact CB-CB 4.42Å; L160-V288 HydrophobicContact CB-CG1 4.04Å; L160-V288 HydrophobicContact CB-CG2 4.1Å; L160-V288 HydrophobicContact CD1-CG2 4.27Å; I161-V288 HydrophobicContact CD1-CG1 4.29Å; I161-V288 HydrophobicContact CG1-CB 4.08Å; I161-V288 HydrophobicContact CG1-CG1 3.87Å; S230-V288 PolarHBondContact OG-N 3.26Å; L233-V288 HydrophobicContact CD2-CG1 3.79Å; L233-V288 HydrophobicContact CD2-CG2 4.36Å; V288-F291 PolarHBondContact O-N 3.35Å; V288-L292 PolarHBondContact O-N 2.77Å
289	S	98.1	Very high	90.2	Very high	46 Å²	46	64.1 Å²	64.1	32%	0.322	37%	0.365	S	S	.	.	H	α-helix	trans	-61.4	-48.5	175.4	-174.6	0	0	0	0	112.2	T287 F291 L292 Q293	T287-S289 PolarHBondContact O-N 3.22Å; S289-F291 VanDerWaalsContact C-N 3.33Å; S289-F291 PolarHBondContact O-N 2.88Å; S289-L292 PolarHBondContact O-N 3.32Å; S289-Q293 PolarHBondContact O-N 2.96Å
290	Q	97.2	Very high	90.9	Very high	71 Å²	71	67.3 Å²	67.3	33%	0.332	37%	0.372	S	S	.	.	H	α-helix	trans	-61.5	-40.3	175.5	-74.1	169.4	-26.1	0	0	112.5	F286 T287 S294	F286-Q290 HydrophobicContact CB-CB 4.2Å; F286-Q290 HydrophobicContact CD1-CB 4.39Å; F286-Q290 HydrophobicContact CD2-CB 4.43Å; F286-Q290 HydrophobicContact CG-CB 4.1Å; T287-Q290 PolarHBondContact O-N 3.11Å; T287-Q290 WeakPolarHBondContact OG1-CB 3.34Å; T287-Q290 VanDerWaalsContact OG1-CG 3.28Å; T287-Q290 WeakPolarHBondContact OG1-CG 3.43Å; T287-Q290 PolarHBondContact OG1-N 2.98Å; T287-Q290 PolarHBondContact OG1-OE1 3.49Å; Q290-S294 WeakPolarHBondContact O-CB 3.21Å; Q290-S294 PolarHBondContact O-N 3.5Å
291	F	98.1	Very high	91.9	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-61	-47.5	174.9	165.5	-94.4	0	0	0	111.8	I153 L233 I237 L266 D269 L273 F286 T287 V288 S289 Q293 S294 T295 L304	I153-F291 HydrophobicContact CG2-CE1 3.81Å; I153-F291 HydrophobicContact CG2-CZ 3.86Å; L233-F291 HydrophobicContact CD2-CD1 3.78Å; L233-F291 HydrophobicContact CD2-CE1 3.92Å; L233-F291 HydrophobicContact CD2-CG 4.46Å; I237-F291 HydrophobicContact CD1-CE1 4.48Å; I237-F291 HydrophobicContact CD1-CE2 3.93Å; I237-F291 HydrophobicContact CD1-CZ 3.64Å; L266-F291 HydrophobicContact CD1-CE2 3.87Å; L266-F291 HydrophobicContact CD1-CZ 3.93Å; D269-F291 HydrophobicContact CB-CD2 3.77Å; D269-F291 HydrophobicContact CB-CE2 3.87Å; L273-F291 HydrophobicContact CD1-CB 4.48Å; L273-F291 HydrophobicContact CD1-CD1 4.35Å; L273-F291 HydrophobicContact CD1-CD2 3.41Å; L273-F291 VanDerWaalsContact CD1-CD2 3.41Å; L273-F291 HydrophobicContact CD1-CE2 3.61Å; L273-F291 HydrophobicContact CD1-CG 3.82Å; L273-F291 HydrophobicContact CD1-CZ 4.17Å; L273-F291 HydrophobicContact CD2-CB 3.77Å; L273-F291 HydrophobicContact CD2-CD2 4.19Å; L273-F291 HydrophobicContact CD2-CG 4.02Å; L273-F291 HydrophobicContact CG-CB 4.22Å; L273-F291 HydrophobicContact CG-CD2 3.72Å; L273-F291 HydrophobicContact CG-CE2 4.36Å; L273-F291 HydrophobicContact CG-CG 4.07Å; F286-F291 HydrophobicContact CB-CB 4.49Å; F286-F291 HydrophobicContact CD2-CB 4.4Å; T287-F291 PolarHBondContact O-N 3.1Å; V288-F291 PolarHBondContact O-N 3.35Å; S289-F291 VanDerWaalsContact C-N 3.33Å; S289-F291 PolarHBondContact O-N 2.88Å; F291-Q293 PolarHBondContact O-N 3.45Å; F291-S294 PolarHBondContact O-N 3.09Å; F291-T295 HydrophobicContact CD2-CG2 3.94Å; F291-T295 HydrophobicContact CE1-CG2 4.43Å; F291-T295 HydrophobicContact CE2-CG2 3.56Å; F291-T295 HydrophobicContact CZ-CG2 3.83Å; F291-T295 WeakPolarHBondContact O-CB 3.38Å; F291-T295 WeakPolarHBondContact O-CG2 3.5Å; F291-T295 PolarHBondContact O-N 2.78Å; F291-T295 PolarHBondContact O-OG1 3.43Å; F291-L304 HydrophobicContact CE1-CD1 4.46Å
292	L	97.9	Very high	93.2	Very high	23 Å²	23	63.6 Å²	63.6	12%	0.12	34%	0.341	C	S	.	.	H	α-helix	trans	-63.8	-43.2	-179.4	-173.3	61.1	0	0	0	111.3	A157 K158 I161 V288 S289 T295 R296 L304	A157-L292 HydrophobicContact CB-CB 4.4Å; A157-L292 HydrophobicContact CB-CD1 4.04Å; A157-L292 HydrophobicContact CB-CD2 4.42Å; K158-L292 HydrophobicContact CG-CD2 4.09Å; I161-L292 HydrophobicContact CD1-CB 3.97Å; I161-L292 HydrophobicContact CD1-CD2 3.44Å; I161-L292 VanDerWaalsContact CD1-CD2 3.44Å; I161-L292 HydrophobicContact CD1-CG 4.35Å; V288-L292 PolarHBondContact O-N 2.77Å; S289-L292 PolarHBondContact O-N 3.32Å; L292-T295 PolarHBondContact O-N 3Å; L292-T295 PolarHBondContact O-OG1 3.06Å; L292-R296 HydrophobicContact CD1-CG 4.06Å; L292-R296 HydrophobicContact CG-CG 4.46Å; L292-R296 WeakPolarHBondContact O-CB 3.47Å; L292-R296 VanDerWaalsContact O-CG 3.32Å; L292-R296 WeakPolarHBondContact O-CG 3.41Å; L292-R296 PolarHBondContact O-N 3.05Å; L292-L304 HydrophobicContact CD1-CD1 3.77Å
293	Q	96.9	Very high	94.2	Very high	144 Å²	144	60.7 Å²	60.7	67%	0.673	31%	0.306	S	S	*	.	H	α-helix	trans	-62.2	-44.2	176.7	-172	-177.7	12.5	0	0	112.1	S289 F291 N297	S289-Q293 PolarHBondContact O-N 2.96Å; F291-Q293 PolarHBondContact O-N 3.45Å; Q293-N297 PolarHBondContact O-N 3.18Å
294	S	96.2	Very high	94.9	Very high	22 Å²	22	57 Å²	57	15%	0.154	28%	0.283	C	S	.	.	H	α-helix	trans	-65.2	-45.1	179.4	-169.2	0	0	0	0	111.7	D269 Q290 F291 R296 N297	D269-S294 VanDerWaalsContact OD1-CB 3.27Å; D269-S294 WeakPolarHBondContact OD1-CB 3.45Å; D269-S294 PolarHBondContact OD1-OG 2.82Å; Q290-S294 WeakPolarHBondContact O-CB 3.21Å; Q290-S294 PolarHBondContact O-N 3.5Å; F291-S294 PolarHBondContact O-N 3.09Å; S294-R296 PolarHBondContact O-N 2.65Å; S294-N297 WeakPolarHBondContact O-CB 3.19Å; S294-N297 PolarHBondContact O-N 3.49Å
295	T	97.4	Very high	95.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-77.9	-18	-175.9	53.5	0	0	0	0	114.5	L266 D269 F291 L292 G302 L304 A305	L266-T295 HydrophobicContact CD1-CG2 4Å; D269-T295 HydrophobicContact CB-CG2 3.51Å; D269-T295 WeakPolarHBondContact OD2-CG2 3.37Å; F291-T295 HydrophobicContact CD2-CG2 3.94Å; F291-T295 HydrophobicContact CE1-CG2 4.43Å; F291-T295 HydrophobicContact CE2-CG2 3.56Å; F291-T295 HydrophobicContact CZ-CG2 3.83Å; F291-T295 WeakPolarHBondContact O-CB 3.38Å; F291-T295 WeakPolarHBondContact O-CG2 3.5Å; F291-T295 PolarHBondContact O-N 2.78Å; F291-T295 PolarHBondContact O-OG1 3.43Å; L292-T295 PolarHBondContact O-N 3Å; L292-T295 PolarHBondContact O-OG1 3.06Å; T295-G302 CarbonylContact O-C 3.42Å; T295-G302 VanDerWaalsContact O-C 3.23Å; T295-G302 VanDerWaalsContact O-CA 3.31Å; T295-G302 WeakPolarHBondContact O-CA 3.42Å; T295-L304 WeakPolarHBondContact O-CA 3.42Å; T295-L304 WeakPolarHBondContact O-CB 3.48Å; T295-L304 PolarHBondContact O-N 3.01Å; T295-L304 WeakPolarHBondContact OG1-CD1 3.42Å; T295-A305 PolarHBondContact O-N 3.46Å
296	R	96.1	Very high	95.2	Very high	48 Å²	48	54.1 Å²	54.1	18%	0.181	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	0.7	170.7	-68.9	-70.7	-90	124.1	-18.4	113.4	L292 S294 S298 L304 D310	L292-R296 HydrophobicContact CD1-CG 4.06Å; L292-R296 HydrophobicContact CG-CG 4.46Å; L292-R296 WeakPolarHBondContact O-CB 3.47Å; L292-R296 VanDerWaalsContact O-CG 3.32Å; L292-R296 WeakPolarHBondContact O-CG 3.41Å; L292-R296 PolarHBondContact O-N 3.05Å; S294-R296 PolarHBondContact O-N 2.65Å; R296-S298 PolarHBondContact O-N 2.9Å; R296-L304 VanDerWaalsContact CD-O 3.26Å; R296-L304 WeakPolarHBondContact CD-O 3.38Å; R296-L304 HydrophobicContact CG-CB 4.06Å; R296-L304 PolarHBondContact NH1-O 3.4Å; R296-D310 IonicContact CZ-OD1 2.67Å; R296-D310 VanDerWaalsContact CZ-OD1 3.27Å; R296-D310 IonicContact NH1-OD1 3.14Å; R296-D310 PolarHBondContact NH1-OD1 3.02Å; R296-D310 IonicContact NH2-OD1 3.57Å; R296-D310 PolarHBondContact NH2-OD1 3.16Å
297	N	94.2	Very high	95.1	Very high	48 Å²	48	56.8 Å²	56.8	26%	0.257	29%	0.292	S	S	.	.			trans	-74.9	110.3	177.5	-173.9	-39.9	0	0	0	110.9	Q293 S294 E299 K300 G302	Q293-N297 PolarHBondContact O-N 3.18Å; S294-N297 WeakPolarHBondContact O-CB 3.19Å; S294-N297 PolarHBondContact O-N 3.49Å; N297-E299 PolarHBondContact O-N 3.42Å; N297-E299 WeakPolarHBondContact OD1-CA 3.36Å; N297-E299 VanDerWaalsContact OD1-CB 3.3Å; N297-E299 WeakPolarHBondContact OD1-CB 3.16Å; N297-E299 PolarHBondContact OD1-N 3.35Å; N297-K300 HydrophobicContact CB-CB 4.46Å; N297-K300 PolarHBondContact O-N 3.37Å; N297-K300 PolarHBondContact OD1-N 2.91Å; N297-G302 PolarHBondContact O-N 3.45Å; N297-G302 VanDerWaalsContact O-N 3.1Å
298	S	89.9	Confident	95.1	Very high	81 Å²	81	55 Å²	55	57%	0.566	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-31.9	-179.7	-54	0	0	0	0	113.7	R296 K300 Q301	R296-S298 PolarHBondContact O-N 2.9Å; S298-K300 PolarHBondContact O-N 2.98Å; S298-Q301 PolarHBondContact O-N 3.14Å; S298-Q301 VanDerWaalsContact O-N 3.12Å
299	E	90.8	Very high	95	Very high	180 Å²	180	54.9 Å²	54.9	84%	0.841	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-32.5	178.7	-56.5	177.4	165.6	0	0	111.5	N297 Q301	N297-E299 PolarHBondContact O-N 3.42Å; N297-E299 WeakPolarHBondContact OD1-CA 3.36Å; N297-E299 VanDerWaalsContact OD1-CB 3.3Å; N297-E299 WeakPolarHBondContact OD1-CB 3.16Å; N297-E299 PolarHBondContact OD1-N 3.35Å; E299-Q301 VanDerWaalsContact C-N 3.31Å
300	K	87.9	Confident	94.9	Very high	149 Å²	149	55.7 Å²	55.7	65%	0.648	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	5.6	177.7	-63.4	-175	-178.7	179.8	0	113.7	N297 S298 G302	N297-K300 HydrophobicContact CB-CB 4.46Å; N297-K300 PolarHBondContact O-N 3.37Å; N297-K300 PolarHBondContact OD1-N 2.91Å; S298-K300 PolarHBondContact O-N 2.98Å; K300-G302 PolarHBondContact O-N 3.07Å
301	Q	89.4	Confident	94.8	Very high	164 Å²	164	52.8 Å²	52.8	77%	0.766	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	45.5	-172.3	-59	-178.9	-16.1	0	0	111.7	S298 E299	S298-Q301 PolarHBondContact O-N 3.14Å; S298-Q301 VanDerWaalsContact O-N 3.12Å; E299-Q301 VanDerWaalsContact C-N 3.31Å
302	G	93.7	Very high	94.7	Very high	7 Å²	7	52.8 Å²	52.8	7%	0.072	27%	0.268	C	S	.	.			trans	-59	144.5	-177.9	0	0	0	0	0	112.1	T295 N297 K300 L304 A305	T295-G302 CarbonylContact O-C 3.42Å; T295-G302 VanDerWaalsContact O-C 3.23Å; T295-G302 VanDerWaalsContact O-CA 3.31Å; T295-G302 WeakPolarHBondContact O-CA 3.42Å; N297-G302 PolarHBondContact O-N 3.45Å; N297-G302 VanDerWaalsContact O-N 3.1Å; K300-G302 PolarHBondContact O-N 3.07Å; G302-L304 PolarHBondContact O-N 3.4Å; G302-L304 VanDerWaalsContact O-N 3.13Å; G302-A305 WeakPolarHBondContact O-CB 3.42Å; G302-A305 PolarHBondContact O-N 2.98Å
303	F	96.5	Very high	94.6	Very high	20 Å²	20	53.6 Å²	53.6	9%	0.088	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-30.5	-176.1	179.9	-108.8	0	0	0	114.3	N146 I153 F241 P263 A265 L266 N306	N146-F303 HydrophobicContact CB-CE2 4.22Å; N146-F303 HydrophobicContact CB-CZ 4.37Å; I153-F303 HydrophobicContact CD1-CE1 4.21Å; F241-F303 HydrophobicContact CZ-CE1 4.33Å; F241-F303 AromaticContact CZ-CZ 3.94Å; F241-F303 HydrophobicContact CZ-CZ 3.94Å; P263-F303 HydrophobicContact CB-CD2 3.73Å; P263-F303 HydrophobicContact CB-CE2 3.63Å; P263-F303 HydrophobicContact CB-CZ 4.49Å; P263-F303 HydrophobicContact CG-CD2 4.1Å; P263-F303 HydrophobicContact CG-CE2 3.5Å; P263-F303 HydrophobicContact CG-CZ 3.95Å; A265-F303 HydrophobicContact CB-CB 4.07Å; A265-F303 HydrophobicContact CB-CD2 4.48Å; L266-F303 HydrophobicContact CB-CB 3.79Å; L266-F303 HydrophobicContact CB-CD1 4.13Å; L266-F303 HydrophobicContact CB-CD2 4.31Å; L266-F303 HydrophobicContact CB-CG 3.81Å; L266-F303 HydrophobicContact CD1-CB 4.09Å; L266-F303 HydrophobicContact CD1-CD1 4.01Å; L266-F303 HydrophobicContact CD1-CG 4.32Å; L266-F303 HydrophobicContact CD2-CD1 3.78Å; L266-F303 HydrophobicContact CD2-CE1 3.99Å; L266-F303 HydrophobicContact CD2-CG 4.32Å; L266-F303 HydrophobicContact CG-CB 4.45Å; L266-F303 HydrophobicContact CG-CD1 4.19Å; L266-F303 HydrophobicContact CG-CG 4.37Å; F303-N306 PolarHBondContact O-ND2 3.47Å
304	L	97.5	Very high	94.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-5.8	178.4	-52.7	-174	0	0	0	112.8	S150 I153 H154 F291 L292 T295 R296 G302 N306 V309	S150-L304 WeakPolarHBondContact O-CD2 3.39Å; I153-L304 HydrophobicContact CB-CD2 4.39Å; I153-L304 HydrophobicContact CG2-CD1 4.43Å; I153-L304 HydrophobicContact CG2-CD2 4.38Å; H154-L304 HydrophobicContact CB-CD1 4.08Å; F291-L304 HydrophobicContact CE1-CD1 4.46Å; L292-L304 HydrophobicContact CD1-CD1 3.77Å; T295-L304 WeakPolarHBondContact O-CA 3.42Å; T295-L304 WeakPolarHBondContact O-CB 3.48Å; T295-L304 PolarHBondContact O-N 3.01Å; T295-L304 WeakPolarHBondContact OG1-CD1 3.42Å; R296-L304 VanDerWaalsContact CD-O 3.26Å; R296-L304 WeakPolarHBondContact CD-O 3.38Å; R296-L304 HydrophobicContact CG-CB 4.06Å; R296-L304 PolarHBondContact NH1-O 3.4Å; G302-L304 PolarHBondContact O-N 3.4Å; G302-L304 VanDerWaalsContact O-N 3.13Å; L304-N306 PolarHBondContact O-N 3.15Å; L304-V309 WeakPolarHBondContact O-CB 3.21Å
305	A	95.6	Very high	94.3	Very high	23 Å²	23	47.8 Å²	47.8	19%	0.19	24%	0.242	C	C	.	.			trans	-88.3	84.9	173.2	0	0	0	0	0	109.3	T295 G302	T295-A305 PolarHBondContact O-N 3.46Å; G302-A305 WeakPolarHBondContact O-CB 3.42Å; G302-A305 PolarHBondContact O-N 2.98Å
306	N	94.6	Very high	94	Very high	30 Å²	30	51.6 Å²	51.6	16%	0.16	26%	0.26	C	S	.	.	S	Bend	trans	-146.3	156.8	177.1	64.6	63.9	0	0	0	111.2	S150 F303 L304 Y308 V309 D310	S150-N306 WeakPolarHBondContact CB-ND2 3.24Å; S150-N306 PolarHBondContact OG-ND2 3.43Å; F303-N306 PolarHBondContact O-ND2 3.47Å; L304-N306 PolarHBondContact O-N 3.15Å; N306-Y308 PolarHBondContact O-N 2.87Å; N306-Y308 WeakPolarHBondContact OD1-CB 2.69Å; N306-Y308 PolarHBondContact OD1-N 3.34Å; N306-V309 PolarHBondContact O-N 3.13Å; N306-V309 VanDerWaalsContact O-N 3.09Å; N306-V309 WeakPolarHBondContact OD1-CG2 3.31Å; N306-V309 PolarHBondContact OD1-N 3.24Å; N306-D310 PolarHBondContact O-N 2.95Å
307	D	94.2	Very high	93.7	Very high	92 Å²	92	53.8 Å²	53.8	49%	0.492	27%	0.272	S	S	.	.	H	α-helix	trans	-55.1	-30.8	-175.5	-67.9	-2.9	0	0	0	113.6	T311 Q336	D307-T311 WeakPolarHBondContact O-CB 3.39Å; D307-T311 PolarHBondContact O-N 3.01Å; D307-T311 PolarHBondContact O-OG1 3.27Å; D307-Q336 PolarHBondContact OD2-NE2 3.34Å
308	Y	95.9	Very high	93.5	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.016	27%	0.266	C	S	.	.	H	α-helix	trans	-70.2	-48.6	178.6	175.5	-113.3	0	0	0	111.9	L147 W151 N306 D310 T311 L312 F340 P341 V344	L147-Y308 HydrophobicContact CB-CD1 3.66Å; L147-Y308 HydrophobicContact CB-CE1 4.08Å; L147-Y308 HydrophobicContact CB-CG 4.04Å; L147-Y308 HydrophobicContact CD1-CG 4.36Å; L147-Y308 HydrophobicContact CD2-CG 4.49Å; L147-Y308 WeakPolarHBondContact O-CD1 3.15Å; L147-Y308 VanDerWaalsContact O-CE1 3.3Å; L147-Y308 WeakPolarHBondContact O-CE1 3.41Å; W151-Y308 HydrophobicContact CB-CD1 4.12Å; W151-Y308 HydrophobicContact CB-CE1 3.52Å; W151-Y308 HydrophobicContact CG-CE1 4.11Å; N306-Y308 PolarHBondContact O-N 2.87Å; N306-Y308 WeakPolarHBondContact OD1-CB 2.69Å; N306-Y308 PolarHBondContact OD1-N 3.34Å; Y308-D310 VanDerWaalsContact C-N 3.33Å; Y308-T311 PolarHBondContact O-N 3.34Å; Y308-L312 HydrophobicContact CD1-CD1 4.37Å; Y308-L312 HydrophobicContact CD2-CD1 4.29Å; Y308-L312 HydrophobicContact CE1-CD1 3.85Å; Y308-L312 HydrophobicContact CE2-CD1 3.74Å; Y308-L312 HydrophobicContact CE2-CG 4.28Å; Y308-L312 WeakPolarHBondContact O-CG 3.1Å; Y308-L312 PolarHBondContact O-N 3.02Å; Y308-L312 VanDerWaalsContact O-N 3.07Å; Y308-F340 HydrophobicContact CD2-CB 4.14Å; Y308-F340 AromaticContact CD2-CD1 3.52Å; Y308-F340 HydrophobicContact CD2-CD1 3.52Å; Y308-F340 HydrophobicContact CD2-CD2 4.11Å; Y308-F340 AromaticContact CD2-CE1 3.87Å; Y308-F340 HydrophobicContact CD2-CE1 3.87Å; Y308-F340 HydrophobicContact CD2-CE2 4.45Å; Y308-F340 AromaticContact CD2-CG 3.65Å; Y308-F340 HydrophobicContact CD2-CG 3.65Å; Y308-F340 HydrophobicContact CD2-CZ 4.32Å; Y308-F340 HydrophobicContact CE2-CB 4.11Å; Y308-F340 HydrophobicContact CE2-CD1 4.34Å; Y308-F340 HydrophobicContact CE2-CG 4.08Å; Y308-F340 HydrophobicContact CG-CD1 4.28Å; Y308-F340 HydrophobicContact CG-CE1 4.39Å; Y308-P341 VanDerWaalsContact CE2-CD 3.49Å; Y308-P341 HydrophobicContact CE2-CG 4.3Å; Y308-V344 HydrophobicContact CE2-CG1 4.24Å; Y308-V344 WeakPolarHBondContact OH-CG2 3.42Å
309	V	97	Very high	93.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.8	-42.1	176.3	177	0	0	0	0	110.3	S150 W151 L304 N306 L312 L313	S150-V309 WeakPolarHBondContact OG-CG2 3.44Å; W151-V309 HydrophobicContact CE3-CB 4.37Å; W151-V309 HydrophobicContact CE3-CG1 3.99Å; W151-V309 HydrophobicContact CE3-CG2 4.27Å; W151-V309 HydrophobicContact CZ3-CG1 4.11Å; L304-V309 WeakPolarHBondContact O-CB 3.21Å; N306-V309 PolarHBondContact O-N 3.13Å; N306-V309 VanDerWaalsContact O-N 3.09Å; N306-V309 WeakPolarHBondContact OD1-CG2 3.31Å; N306-V309 PolarHBondContact OD1-N 3.24Å; V309-L312 PolarHBondContact O-N 3.12Å; V309-L313 PolarHBondContact O-N 3.08Å
310	D	95.6	Very high	93.4	Very high	63 Å²	63	55.3 Å²	55.3	34%	0.337	27%	0.273	S	S	.	.	H	α-helix	trans	-65.6	-39.1	178.4	-68.6	-24.9	0	0	0	112	R296 N306 Y308 L312 L313 F314	R296-D310 IonicContact CZ-OD1 2.67Å; R296-D310 VanDerWaalsContact CZ-OD1 3.27Å; R296-D310 IonicContact NH1-OD1 3.14Å; R296-D310 PolarHBondContact NH1-OD1 3.02Å; R296-D310 IonicContact NH2-OD1 3.57Å; R296-D310 PolarHBondContact NH2-OD1 3.16Å; N306-D310 PolarHBondContact O-N 2.95Å; Y308-D310 VanDerWaalsContact C-N 3.33Å; D310-L312 PolarHBondContact O-N 3.14Å; D310-L313 PolarHBondContact O-N 2.76Å; D310-F314 WeakPolarHBondContact O-CB 3.48Å; D310-F314 PolarHBondContact O-N 3.28Å
311	T	96	Very high	93.5	Very high	10 Å²	10	50.6 Å²	50.6	6%	0.061	25%	0.253	C	S	.	.	H	α-helix	trans	-60.1	-46.1	173.8	-68.9	0	0	0	0	111.9	D307 Y308 F314 L315 F329 L333 F340	D307-T311 WeakPolarHBondContact O-CB 3.39Å; D307-T311 PolarHBondContact O-N 3.01Å; D307-T311 PolarHBondContact O-OG1 3.27Å; Y308-T311 PolarHBondContact O-N 3.34Å; T311-F314 PolarHBondContact O-N 3.1Å; T311-L315 WeakPolarHBondContact O-CB 3.28Å; T311-L315 PolarHBondContact O-N 3.38Å; T311-F329 HydrophobicContact CG2-CE2 3.9Å; T311-F329 HydrophobicContact CG2-CZ 3.88Å; T311-L333 HydrophobicContact CG2-CD1 3.73Å; T311-F340 HydrophobicContact CG2-CE2 3.78Å; T311-F340 HydrophobicContact CG2-CZ 4.28Å
312	L	96	Very high	93.6	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-71.5	-35.4	-176.9	-67.5	178.7	0	0	0	112.4	W151 Y308 V309 D310 L315 E316 V344 K348 I349	W151-L312 HydrophobicContact CB-CD1 4.44Å; W151-L312 HydrophobicContact CD2-CB 4.25Å; W151-L312 HydrophobicContact CD2-CD1 3.49Å; W151-L312 VanDerWaalsContact CD2-CD1 3.49Å; W151-L312 HydrophobicContact CE3-CB 4.11Å; W151-L312 HydrophobicContact CE3-CD1 4.05Å; W151-L312 HydrophobicContact CG-CD1 3.64Å; W151-L312 HydrophobicContact CH2-CB 3.79Å; W151-L312 HydrophobicContact CZ2-CB 3.93Å; W151-L312 HydrophobicContact CZ2-CD1 4.18Å; W151-L312 HydrophobicContact CZ3-CB 3.88Å; Y308-L312 HydrophobicContact CD1-CD1 4.37Å; Y308-L312 HydrophobicContact CD2-CD1 4.29Å; Y308-L312 HydrophobicContact CE1-CD1 3.85Å; Y308-L312 HydrophobicContact CE2-CD1 3.74Å; Y308-L312 HydrophobicContact CE2-CG 4.28Å; Y308-L312 WeakPolarHBondContact O-CG 3.1Å; Y308-L312 PolarHBondContact O-N 3.02Å; Y308-L312 VanDerWaalsContact O-N 3.07Å; V309-L312 PolarHBondContact O-N 3.12Å; D310-L312 PolarHBondContact O-N 3.14Å; L312-L315 PolarHBondContact O-N 3.3Å; L312-E316 WeakPolarHBondContact O-CG 3.18Å; L312-E316 PolarHBondContact O-N 3.41Å; L312-V344 HydrophobicContact CD1-CG1 4.13Å; L312-V344 HydrophobicContact CD2-CG1 3.65Å; L312-K348 HydrophobicContact CD2-CD 4.23Å; L312-I349 HydrophobicContact CD2-CD1 4.39Å; L312-I349 HydrophobicContact CD2-CG1 4.27Å
313	L	95.7	Very high	93.4	Very high	41 Å²	41	51.6 Å²	51.6	22%	0.215	27%	0.27	C	S	.	.	H	α-helix	trans	-64.7	-44.4	170.5	-78.8	-163.2	0	0	0	112.1	W151 V309 D310 L315 E316 E317	W151-L313 HydrophobicContact CH2-CD2 4.14Å; W151-L313 HydrophobicContact CZ3-CD2 4.15Å; W151-L313 HydrophobicContact CZ3-CG 4.31Å; V309-L313 PolarHBondContact O-N 3.08Å; D310-L313 PolarHBondContact O-N 2.76Å; L313-L315 PolarHBondContact O-N 3.18Å; L313-E316 PolarHBondContact O-N 2.67Å; L313-E317 PolarHBondContact O-N 3.2Å
314	F	95.2	Very high	93.1	Very high	41 Å²	41	57.8 Å²	57.8	18%	0.18	30%	0.301	C	S	.	.	H	α-helix	trans	-60.5	-39.1	176.3	-169	-78.5	0	0	0	110.9	D310 T311 E317 I318 K321 E325 F329	D310-F314 WeakPolarHBondContact O-CB 3.48Å; D310-F314 PolarHBondContact O-N 3.28Å; T311-F314 PolarHBondContact O-N 3.1Å; F314-E317 CarbonylContact O-C 3.49Å; F314-E317 PolarHBondContact O-N 2.78Å; F314-I318 HydrophobicContact CD1-CG1 4.49Å; F314-I318 HydrophobicContact CE1-CG1 4.14Å; F314-I318 VanDerWaalsContact O-CA 3.32Å; F314-I318 WeakPolarHBondContact O-CA 3.26Å; F314-I318 PolarHBondContact O-N 3.49Å; F314-K321 HydrophobicContact CE1-CG 4.07Å; F314-K321 HydrophobicContact CE2-CD 4.09Å; F314-K321 HydrophobicContact CE2-CG 3.88Å; F314-K321 HydrophobicContact CZ-CB 3.99Å; F314-K321 HydrophobicContact CZ-CD 4.35Å; F314-K321 HydrophobicContact CZ-CG 3.64Å; F314-E325 HydrophobicContact CE2-CB 4.47Å; F314-E325 HydrophobicContact CZ-CB 4.2Å; F314-F329 HydrophobicContact CB-CD2 4Å; F314-F329 HydrophobicContact CB-CE2 3.76Å; F314-F329 HydrophobicContact CB-CZ 4.26Å; F314-F329 HydrophobicContact CD1-CB 3.91Å; F314-F329 AromaticContact CD1-CD1 3.38Å; F314-F329 HydrophobicContact CD1-CD1 3.38Å; F314-F329 AromaticContact CD1-CD2 3.4Å; F314-F329 HydrophobicContact CD1-CD2 3.4Å; F314-F329 VanDerWaalsContact CD1-CD2 3.4Å; F314-F329 AromaticContact CD1-CE1 3.63Å; F314-F329 HydrophobicContact CD1-CE1 3.63Å; F314-F329 AromaticContact CD1-CE2 3.66Å; F314-F329 HydrophobicContact CD1-CE2 3.66Å; F314-F329 AromaticContact CD1-CG 3.25Å; F314-F329 HydrophobicContact CD1-CG 3.25Å; F314-F329 AromaticContact CD1-CZ 3.75Å; F314-F329 HydrophobicContact CD1-CZ 3.75Å; F314-F329 HydrophobicContact CD2-CD2 4.23Å; F314-F329 HydrophobicContact CD2-CG 4.46Å; F314-F329 HydrophobicContact CE1-CB 3.42Å; F314-F329 VanDerWaalsContact CE1-CB 3.42Å; F314-F329 AromaticContact CE1-CD1 3.38Å; F314-F329 HydrophobicContact CE1-CD1 3.38Å; F314-F329 AromaticContact CE1-CD2 3.88Å; F314-F329 HydrophobicContact CE1-CD2 3.88Å; F314-F329 HydrophobicContact CE1-CE1 4.06Å; F314-F329 HydrophobicContact CE1-CE2 4.5Å; F314-F329 AromaticContact CE1-CG 3.25Å; F314-F329 HydrophobicContact CE1-CG 3.25Å; F314-F329 HydrophobicContact CE2-CB 4.16Å; F314-F329 HydrophobicContact CE2-CG 4.45Å; F314-F329 HydrophobicContact CG-CB 4.47Å; F314-F329 HydrophobicContact CG-CD1 4.4Å; F314-F329 AromaticContact CG-CD2 3.6Å; F314-F329 HydrophobicContact CG-CD2 3.6Å; F314-F329 AromaticContact CG-CE2 3.84Å; F314-F329 HydrophobicContact CG-CE2 3.84Å; F314-F329 AromaticContact CG-CG 3.9Å; F314-F329 HydrophobicContact CG-CG 3.9Å; F314-F329 HydrophobicContact CG-CZ 4.32Å; F314-F329 HydrophobicContact CZ-CB 3.55Å; F314-F329 HydrophobicContact CZ-CD1 4.38Å; F314-F329 HydrophobicContact CZ-CD2 4.45Å; F314-F329 AromaticContact CZ-CG 3.89Å; F314-F329 HydrophobicContact CZ-CG 3.89Å
315	L	92.1	Very high	92.8	Very high	2 Å²	2	62 Å²	62	1%	0.01	32%	0.321	C	S	.	.	H	α-helix	trans	-64.9	-37.9	177.7	-168.6	65.4	0	0	0	112.7	T311 L312 L313 E317 I318 K348 I349 H352	T311-L315 WeakPolarHBondContact O-CB 3.28Å; T311-L315 PolarHBondContact O-N 3.38Å; L312-L315 PolarHBondContact O-N 3.3Å; L313-L315 PolarHBondContact O-N 3.18Å; L315-E317 VanDerWaalsContact C-N 3.26Å; L315-E317 PolarHBondContact O-N 3.13Å; L315-I318 HydrophobicContact CD1-CD1 4.21Å; L315-I318 HydrophobicContact CD1-CG2 4.48Å; L315-I318 WeakPolarHBondContact O-CG2 3.33Å; L315-I318 PolarHBondContact O-N 3.3Å; L315-K348 HydrophobicContact CD2-CG 4.31Å; L315-I349 HydrophobicContact CD2-CB 4.45Å; L315-I349 HydrophobicContact CD2-CG1 4.04Å; L315-H352 HydrophobicContact CD1-CB 3.78Å; L315-H352 HydrophobicContact CD2-CB 4.25Å; L315-H352 HydrophobicContact CG-CB 4.25Å
316	E	90.4	Very high	92.6	Very high	81 Å²	81	62.2 Å²	62.2	38%	0.379	32%	0.317	S	S	.	.	H	α-helix	trans	-63	-33	176.2	-76.7	173.1	-171.7	0	0	112.4	W151 K158 L312 L313 K348	W151-E316 VanDerWaalsContact CH2-OE1 3.3Å; W151-E316 WeakPolarHBondContact CH2-OE1 3.19Å; W151-E316 VanDerWaalsContact CZ2-OE1 3.24Å; W151-E316 WeakPolarHBondContact CZ2-OE1 3.3Å; K158-E316 IonicContact NZ-OE2 2.8Å; L312-E316 WeakPolarHBondContact O-CG 3.18Å; L312-E316 PolarHBondContact O-N 3.41Å; L313-E316 PolarHBondContact O-N 2.67Å; E316-K348 IonicContact OE1-NZ 3.99Å; E316-K348 PolarHBondContact OE1-NZ 3.26Å
317	E	90.4	Very high	92.4	Very high	94 Å²	94	61.5 Å²	61.5	44%	0.439	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	8.5	-179.6	-63.7	-179.7	177.3	0	0	113.3	L313 F314 L315 E319 L320 K321	L313-E317 PolarHBondContact O-N 3.2Å; F314-E317 CarbonylContact O-C 3.49Å; F314-E317 PolarHBondContact O-N 2.78Å; L315-E317 VanDerWaalsContact C-N 3.26Å; L315-E317 PolarHBondContact O-N 3.13Å; E317-E319 PolarHBondContact O-N 3Å; E317-E319 VanDerWaalsContact O-N 3.07Å; E317-L320 WeakPolarHBondContact O-CA 3.31Å; E317-L320 WeakPolarHBondContact O-CB 3.39Å; E317-L320 PolarHBondContact O-N 2.71Å; E317-K321 PolarHBondContact O-N 2.69Å; E317-K321 IonicContact OE2-NZ 3.85Å; E317-K321 PolarHBondContact OE2-NZ 2.94Å
318	I	89.5	Confident	92.3	Very high	23 Å²	23	60.5 Å²	60.5	12%	0.118	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-56.2	-37.8	-167.9	-168.9	169.7	0	0	0	111.6	F314 L315 L320 K321 K326 F329	F314-I318 HydrophobicContact CD1-CG1 4.49Å; F314-I318 HydrophobicContact CE1-CG1 4.14Å; F314-I318 VanDerWaalsContact O-CA 3.32Å; F314-I318 WeakPolarHBondContact O-CA 3.26Å; F314-I318 PolarHBondContact O-N 3.49Å; L315-I318 HydrophobicContact CD1-CD1 4.21Å; L315-I318 HydrophobicContact CD1-CG2 4.48Å; L315-I318 WeakPolarHBondContact O-CG2 3.33Å; L315-I318 PolarHBondContact O-N 3.3Å; I318-L320 PolarHBondContact O-N 2.78Å; I318-K321 PolarHBondContact O-N 3.31Å; I318-K321 VanDerWaalsContact O-N 3.15Å; I318-K326 HydrophobicContact CG1-CG 4.16Å; I318-K326 WeakPolarHBondContact O-CE 3.39Å; I318-K326 PolarHBondContact O-NZ 3.33Å; I318-F329 HydrophobicContact CD1-CD1 4.39Å; I318-F329 HydrophobicContact CD1-CE1 4.22Å
319	E	87.2	Confident	92.3	Very high	163 Å²	163	61.3 Å²	61.3	76%	0.762	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-64.8	-27.1	-179	-61.9	-171.2	160.6	0	0	112.8	E317 K326	E317-E319 PolarHBondContact O-N 3Å; E317-E319 VanDerWaalsContact O-N 3.07Å; E319-K326 PolarHBondContact O-NZ 3.29Å
320	L	90.3	Very high	92.1	Very high	154 Å²	154	61.3 Å²	61.3	81%	0.806	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-83.8	-13.2	178.6	-54.9	177.4	0	0	0	113.5	E317 I318	E317-L320 WeakPolarHBondContact O-CA 3.31Å; E317-L320 WeakPolarHBondContact O-CB 3.39Å; E317-L320 PolarHBondContact O-N 2.71Å; I318-L320 PolarHBondContact O-N 2.78Å
321	K	91.5	Very high	91.9	Very high	51 Å²	51	64 Å²	64	22%	0.222	32%	0.324	C	S	.	.	S	Bend	trans	-81.3	154.9	179.9	-55.2	-61.8	177.3	-167.6	0	112	F314 E317 I318 E325 K326	F314-K321 HydrophobicContact CE1-CG 4.07Å; F314-K321 HydrophobicContact CE2-CD 4.09Å; F314-K321 HydrophobicContact CE2-CG 3.88Å; F314-K321 HydrophobicContact CZ-CB 3.99Å; F314-K321 HydrophobicContact CZ-CD 4.35Å; F314-K321 HydrophobicContact CZ-CG 3.64Å; E317-K321 PolarHBondContact O-N 2.69Å; E317-K321 IonicContact OE2-NZ 3.85Å; E317-K321 PolarHBondContact OE2-NZ 2.94Å; I318-K321 PolarHBondContact O-N 3.31Å; I318-K321 VanDerWaalsContact O-N 3.15Å; K321-E325 HydrophobicContact CB-CB 4.3Å; K321-K326 HydrophobicContact CB-CG 4.27Å; K321-K326 WeakPolarHBondContact O-CE 3.22Å; K321-K326 PolarHBondContact O-NZ 2.99Å
322	D	91	Very high	91.8	Very high	87 Å²	87	67.8 Å²	67.8	47%	0.465	34%	0.344	S	S	.	.			trans	-77.1	171.5	176.7	79.1	33.8	0	0	0	112.6	M324 E325 K326	D322-M324 VanDerWaalsContact C-N 3.33Å; D322-M324 PolarHBondContact O-N 3.03Å; D322-M324 WeakPolarHBondContact OD1-CA 3.33Å; D322-M324 WeakPolarHBondContact OD1-CB 3.39Å; D322-M324 PolarHBondContact OD1-N 3.35Å; D322-E325 PolarHBondContact N-OE2 3.43Å; D322-E325 VanDerWaalsContact N-OE2 3.14Å; D322-E325 WeakPolarHBondContact OD1-CG 3.49Å; D322-E325 PolarHBondContact OD1-N 3.07Å; D322-K326 WeakPolarHBondContact O-CB 3.32Å; D322-K326 WeakPolarHBondContact O-CD 3.43Å; D322-K326 WeakPolarHBondContact O-CG 3.29Å; D322-K326 PolarHBondContact O-N 3.2Å
323	S	88.4	Confident	91.8	Very high	104 Å²	104	67.9 Å²	67.9	73%	0.727	35%	0.345	S	S	*	.	H	α-helix	trans	-66.5	-30.8	-177.8	-59.2	0	0	0	0	113.8	S327	S323-S327 WeakPolarHBondContact O-CB 3.34Å; S323-S327 PolarHBondContact O-N 2.94Å
324	M	90.4	Very high	91.6	Very high	150 Å²	150	66.4 Å²	66.4	74%	0.739	34%	0.338	S	S	*	.	H	α-helix	trans	-76.8	-43.7	-177.9	-174.6	176	-68.9	0	0	110.8	D322 S327 T328	D322-M324 VanDerWaalsContact C-N 3.33Å; D322-M324 PolarHBondContact O-N 3.03Å; D322-M324 WeakPolarHBondContact OD1-CA 3.33Å; D322-M324 WeakPolarHBondContact OD1-CB 3.39Å; D322-M324 PolarHBondContact OD1-N 3.35Å; M324-S327 PolarHBondContact O-N 3.49Å; M324-T328 PolarHBondContact O-N 2.7Å; M324-T328 PolarHBondContact O-OG1 3.16Å
325	E	92.2	Very high	91.4	Very high	90 Å²	90	69.3 Å²	69.3	42%	0.421	36%	0.36	S	S	.	.	H	α-helix	trans	-58.5	-47.9	171.7	-68.1	-178.9	130.6	0	0	110.5	F314 K321 D322 S327 T328 F329	F314-E325 HydrophobicContact CE2-CB 4.47Å; F314-E325 HydrophobicContact CZ-CB 4.2Å; K321-E325 HydrophobicContact CB-CB 4.3Å; D322-E325 PolarHBondContact N-OE2 3.43Å; D322-E325 VanDerWaalsContact N-OE2 3.14Å; D322-E325 WeakPolarHBondContact OD1-CG 3.49Å; D322-E325 PolarHBondContact OD1-N 3.07Å; E325-S327 PolarHBondContact O-N 3.27Å; E325-T328 PolarHBondContact O-N 3.09Å; E325-F329 WeakPolarHBondContact O-CB 3.3Å; E325-F329 PolarHBondContact O-N 3.35Å
326	K	91.9	Very high	91.5	Very high	27 Å²	27	71.8 Å²	71.8	12%	0.117	37%	0.371	C	S	.	.	H	α-helix	trans	-56.8	-48.4	175.4	-78	167.3	176.6	154.6	0	112.4	I318 E319 K321 D322 T328 F329 L330	I318-K326 HydrophobicContact CG1-CG 4.16Å; I318-K326 WeakPolarHBondContact O-CE 3.39Å; I318-K326 PolarHBondContact O-NZ 3.33Å; E319-K326 PolarHBondContact O-NZ 3.29Å; K321-K326 HydrophobicContact CB-CG 4.27Å; K321-K326 WeakPolarHBondContact O-CE 3.22Å; K321-K326 PolarHBondContact O-NZ 2.99Å; D322-K326 WeakPolarHBondContact O-CB 3.32Å; D322-K326 WeakPolarHBondContact O-CD 3.43Å; D322-K326 WeakPolarHBondContact O-CG 3.29Å; D322-K326 PolarHBondContact O-N 3.2Å; K326-T328 VanDerWaalsContact C-N 3.31Å; K326-T328 PolarHBondContact O-N 2.87Å; K326-F329 PolarHBondContact O-N 3.09Å; K326-L330 WeakPolarHBondContact O-CB 3.21Å; K326-L330 WeakPolarHBondContact O-CD1 3.2Å; K326-L330 WeakPolarHBondContact O-CG 3.32Å; K326-L330 PolarHBondContact O-N 3.12Å
327	S	89.3	Confident	91.6	Very high	15 Å²	15	68 Å²	68	11%	0.105	35%	0.353	C	S	.	.	H	α-helix	trans	-61.6	-41.7	-179	-171.2	0	0	0	0	111.2	S323 M324 E325 K331 E365	S323-S327 WeakPolarHBondContact O-CB 3.34Å; S323-S327 PolarHBondContact O-N 2.94Å; M324-S327 PolarHBondContact O-N 3.49Å; E325-S327 PolarHBondContact O-N 3.27Å; S327-K331 WeakPolarHBondContact O-CD 3.44Å; S327-K331 VanDerWaalsContact O-CG 3.24Å; S327-K331 WeakPolarHBondContact O-CG 3.43Å; S327-K331 PolarHBondContact O-N 2.72Å; S327-K331 VanDerWaalsContact O-N 3.15Å; S327-K331 PolarHBondContact OG-NZ 3.14Å; S327-E365 PolarHBondContact OG-OE1 3.25Å
328	T	92.8	Very high	91.5	Very high	70 Å²	70	68.7 Å²	68.7	43%	0.429	36%	0.364	S	S	.	.	H	α-helix	trans	-66.7	-48.1	178	-54.8	0	0	0	0	111.4	M324 E325 K326 L330 K331 N332	M324-T328 PolarHBondContact O-N 2.7Å; M324-T328 PolarHBondContact O-OG1 3.16Å; E325-T328 PolarHBondContact O-N 3.09Å; K326-T328 VanDerWaalsContact C-N 3.31Å; K326-T328 PolarHBondContact O-N 2.87Å; T328-L330 PolarHBondContact O-N 3.13Å; T328-K331 PolarHBondContact O-N 2.85Å; T328-N332 PolarHBondContact O-N 3.19Å
329	F	94.9	Very high	91.5	Very high	21 Å²	21	70.2 Å²	70.2	9%	0.092	38%	0.377	C	S	.	.	H	α-helix	trans	-57	-48.6	176.2	168.7	-104.5	0	0	0	112.2	T311 F314 I318 E325 K326 K331 N332 L333	T311-F329 HydrophobicContact CG2-CE2 3.9Å; T311-F329 HydrophobicContact CG2-CZ 3.88Å; F314-F329 HydrophobicContact CB-CD2 4Å; F314-F329 HydrophobicContact CB-CE2 3.76Å; F314-F329 HydrophobicContact CB-CZ 4.26Å; F314-F329 HydrophobicContact CD1-CB 3.91Å; F314-F329 AromaticContact CD1-CD1 3.38Å; F314-F329 HydrophobicContact CD1-CD1 3.38Å; F314-F329 AromaticContact CD1-CD2 3.4Å; F314-F329 HydrophobicContact CD1-CD2 3.4Å; F314-F329 VanDerWaalsContact CD1-CD2 3.4Å; F314-F329 AromaticContact CD1-CE1 3.63Å; F314-F329 HydrophobicContact CD1-CE1 3.63Å; F314-F329 AromaticContact CD1-CE2 3.66Å; F314-F329 HydrophobicContact CD1-CE2 3.66Å; F314-F329 AromaticContact CD1-CG 3.25Å; F314-F329 HydrophobicContact CD1-CG 3.25Å; F314-F329 AromaticContact CD1-CZ 3.75Å; F314-F329 HydrophobicContact CD1-CZ 3.75Å; F314-F329 HydrophobicContact CD2-CD2 4.23Å; F314-F329 HydrophobicContact CD2-CG 4.46Å; F314-F329 HydrophobicContact CE1-CB 3.42Å; F314-F329 VanDerWaalsContact CE1-CB 3.42Å; F314-F329 AromaticContact CE1-CD1 3.38Å; F314-F329 HydrophobicContact CE1-CD1 3.38Å; F314-F329 AromaticContact CE1-CD2 3.88Å; F314-F329 HydrophobicContact CE1-CD2 3.88Å; F314-F329 HydrophobicContact CE1-CE1 4.06Å; F314-F329 HydrophobicContact CE1-CE2 4.5Å; F314-F329 AromaticContact CE1-CG 3.25Å; F314-F329 HydrophobicContact CE1-CG 3.25Å; F314-F329 HydrophobicContact CE2-CB 4.16Å; F314-F329 HydrophobicContact CE2-CG 4.45Å; F314-F329 HydrophobicContact CG-CB 4.47Å; F314-F329 HydrophobicContact CG-CD1 4.4Å; F314-F329 AromaticContact CG-CD2 3.6Å; F314-F329 HydrophobicContact CG-CD2 3.6Å; F314-F329 AromaticContact CG-CE2 3.84Å; F314-F329 HydrophobicContact CG-CE2 3.84Å; F314-F329 AromaticContact CG-CG 3.9Å; F314-F329 HydrophobicContact CG-CG 3.9Å; F314-F329 HydrophobicContact CG-CZ 4.32Å; F314-F329 HydrophobicContact CZ-CB 3.55Å; F314-F329 HydrophobicContact CZ-CD1 4.38Å; F314-F329 HydrophobicContact CZ-CD2 4.45Å; F314-F329 AromaticContact CZ-CG 3.89Å; F314-F329 HydrophobicContact CZ-CG 3.89Å; I318-F329 HydrophobicContact CD1-CD1 4.39Å; I318-F329 HydrophobicContact CD1-CE1 4.22Å; E325-F329 WeakPolarHBondContact O-CB 3.3Å; E325-F329 PolarHBondContact O-N 3.35Å; K326-F329 PolarHBondContact O-N 3.09Å; F329-K331 VanDerWaalsContact C-N 3.33Å; F329-K331 PolarHBondContact O-N 2.75Å; F329-N332 PolarHBondContact O-N 2.96Å; F329-L333 HydrophobicContact CE1-CD2 4.04Å; F329-L333 HydrophobicContact CZ-CD2 4.15Å; F329-L333 VanDerWaalsContact O-CB 3.29Å; F329-L333 WeakPolarHBondContact O-CB 3.32Å; F329-L333 PolarHBondContact O-N 3.07Å
330	L	93.7	Very high	91.9	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-67	-33.5	-177.3	-69.1	167	0	0	0	112.7	K326 T328 L333 A334 L353 A362 E365 A366 P369	K326-L330 WeakPolarHBondContact O-CB 3.21Å; K326-L330 WeakPolarHBondContact O-CD1 3.2Å; K326-L330 WeakPolarHBondContact O-CG 3.32Å; K326-L330 PolarHBondContact O-N 3.12Å; T328-L330 PolarHBondContact O-N 3.13Å; L330-L333 HydrophobicContact CD2-CD2 4.31Å; L330-A334 PolarHBondContact O-N 2.84Å; L330-A334 VanDerWaalsContact O-N 3.15Å; L330-L353 HydrophobicContact CD2-CD2 3.5Å; L330-L353 VanDerWaalsContact CD2-CD2 3.5Å; L330-A362 HydrophobicContact CD1-CB 4.04Å; L330-A362 WeakPolarHBondContact CD1-O 3.35Å; L330-E365 HydrophobicContact CB-CB 3.96Å; L330-E365 HydrophobicContact CD1-CB 4.1Å; L330-A366 HydrophobicContact CD1-CB 4.02Å; L330-A366 HydrophobicContact CD2-CB 4.07Å; L330-P369 WeakPolarHBondContact O-CG 3.4Å
331	K	91.4	Very high	92	Very high	121 Å²	121	55.7 Å²	55.7	53%	0.526	31%	0.305	S	S	.	.	H	α-helix	trans	-65.3	-45.3	172.4	-73.7	167.4	-174.8	163.7	0	111.4	S327 T328 F329 A334	S327-K331 WeakPolarHBondContact O-CD 3.44Å; S327-K331 VanDerWaalsContact O-CG 3.24Å; S327-K331 WeakPolarHBondContact O-CG 3.43Å; S327-K331 PolarHBondContact O-N 2.72Å; S327-K331 VanDerWaalsContact O-N 3.15Å; S327-K331 PolarHBondContact OG-NZ 3.14Å; T328-K331 PolarHBondContact O-N 2.85Å; F329-K331 VanDerWaalsContact C-N 3.33Å; F329-K331 PolarHBondContact O-N 2.75Å; K331-A334 WeakPolarHBondContact O-CB 3.36Å; K331-A334 PolarHBondContact O-N 3.44Å
332	N	93.4	Very high	92	Very high	88 Å²	88	57.7 Å²	57.7	47%	0.471	32%	0.318	S	S	.	.	H	α-helix	trans	-66.7	-42.7	177.6	-68.2	-12.2	0	0	0	111.2	T328 F329 A334 T335 Q336	T328-N332 PolarHBondContact O-N 3.19Å; F329-N332 PolarHBondContact O-N 2.96Å; N332-A334 PolarHBondContact O-N 3.1Å; N332-T335 PolarHBondContact O-N 3.43Å; N332-T335 PolarHBondContact O-OG1 3.33Å; N332-Q336 PolarHBondContact O-N 2.84Å
333	L	95.5	Very high	91.9	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.016	31%	0.305	C	S	.	.	H	α-helix	trans	-54.6	-42.2	176.3	179.7	60.8	0	0	0	111.4	T311 F329 L330 T335 Q336 I337 F340 I349 L353 P369	T311-L333 HydrophobicContact CG2-CD1 3.73Å; F329-L333 HydrophobicContact CE1-CD2 4.04Å; F329-L333 HydrophobicContact CZ-CD2 4.15Å; F329-L333 VanDerWaalsContact O-CB 3.29Å; F329-L333 WeakPolarHBondContact O-CB 3.32Å; F329-L333 PolarHBondContact O-N 3.07Å; L330-L333 HydrophobicContact CD2-CD2 4.31Å; L333-T335 PolarHBondContact O-N 3.18Å; L333-T335 VanDerWaalsContact O-N 3.08Å; L333-Q336 PolarHBondContact O-N 2.81Å; L333-Q336 VanDerWaalsContact O-N 3.17Å; L333-I337 HydrophobicContact CD1-CB 4.21Å; L333-I337 HydrophobicContact CD1-CD1 4.27Å; L333-I337 HydrophobicContact CD1-CG1 4.35Å; L333-I337 HydrophobicContact CG-CD1 4.27Å; L333-I337 WeakPolarHBondContact O-CB 3.26Å; L333-I337 PolarHBondContact O-N 3.15Å; L333-F340 HydrophobicContact CD1-CE2 3.88Å; L333-I349 HydrophobicContact CD2-CG2 4.28Å; L333-L353 HydrophobicContact CD2-CD1 4.35Å; L333-L353 HydrophobicContact CD2-CD2 4Å; L333-P369 HydrophobicContact CD2-CB 4.21Å; L333-P369 HydrophobicContact CD2-CG 4.41Å; L333-P369 HydrophobicContact CG-CB 4.33Å; L333-P369 HydrophobicContact CG-CG 4.42Å
334	A	92.5	Very high	92.1	Very high	10 Å²	10	50.2 Å²	50.2	8%	0.083	27%	0.27	C	S	.	.	H	α-helix	trans	-56.5	-27.4	178	0	0	0	0	0	113.9	L330 K331 N332 L368 P369	L330-A334 PolarHBondContact O-N 2.84Å; L330-A334 VanDerWaalsContact O-N 3.15Å; K331-A334 WeakPolarHBondContact O-CB 3.36Å; K331-A334 PolarHBondContact O-N 3.44Å; N332-A334 PolarHBondContact O-N 3.1Å; A334-L368 HydrophobicContact CB-CB 4.38Å; A334-L368 HydrophobicContact CB-CD2 3.77Å; A334-L368 HydrophobicContact CB-CG 3.85Å; A334-P369 HydrophobicContact CB-CG 3.94Å
335	T	91.8	Very high	92.3	Very high	102 Å²	102	43.1 Å²	43.1	63%	0.626	24%	0.235	S	C	*	.	H	α-helix	trans	-87	-32.3	-179.8	68.5	0	0	0	0	113.1	N332 L333	N332-T335 PolarHBondContact O-N 3.43Å; N332-T335 PolarHBondContact O-OG1 3.33Å; L333-T335 PolarHBondContact O-N 3.18Å; L333-T335 VanDerWaalsContact O-N 3.08Å
336	Q	92.2	Very high	92.3	Very high	53 Å²	53	42.2 Å²	42.2	25%	0.248	23%	0.228	C	C	.	.	H	α-helix	trans	-98.3	-20.7	-172.7	-61.5	-177.8	-18.5	0	0	113.2	D307 N332 L333 T338 S339 F340	D307-Q336 PolarHBondContact OD2-NE2 3.34Å; N332-Q336 PolarHBondContact O-N 2.84Å; L333-Q336 PolarHBondContact O-N 2.81Å; L333-Q336 VanDerWaalsContact O-N 3.17Å; Q336-T338 PolarHBondContact O-N 3.04Å; Q336-T338 VanDerWaalsContact O-N 3.09Å; Q336-S339 WeakPolarHBondContact O-CB 3.48Å; Q336-S339 PolarHBondContact O-N 2.79Å; Q336-S339 PolarHBondContact O-OG 3.02Å; Q336-F340 HydrophobicContact CB-CE1 4.33Å; Q336-F340 HydrophobicContact CB-CZ 3.98Å
337	I	93.4	Very high	92.3	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-58.5	-29.7	-170.5	-162.7	165.5	0	0	0	114.4	L333 S339 F340 I349 L353 P369 R372 L373	L333-I337 HydrophobicContact CD1-CB 4.21Å; L333-I337 HydrophobicContact CD1-CD1 4.27Å; L333-I337 HydrophobicContact CD1-CG1 4.35Å; L333-I337 HydrophobicContact CG-CD1 4.27Å; L333-I337 WeakPolarHBondContact O-CB 3.26Å; L333-I337 PolarHBondContact O-N 3.15Å; I337-S339 PolarHBondContact O-N 3.03Å; I337-F340 HydrophobicContact CG1-CD2 4.48Å; I337-F340 PolarHBondContact O-N 2.93Å; I337-I349 HydrophobicContact CD1-CG2 3.94Å; I337-L353 HydrophobicContact CD1-CD1 4.45Å; I337-P369 HydrophobicContact CD1-CB 4.3Å; I337-R372 HydrophobicContact CG2-CB 3.85Å; I337-R372 HydrophobicContact CG2-CG 4.44Å; I337-L373 HydrophobicContact CD1-CD1 3.73Å; I337-L373 HydrophobicContact CD1-CD2 3.64Å; I337-L373 HydrophobicContact CD1-CG 3.65Å; I337-L373 HydrophobicContact CG1-CD2 3.72Å; I337-L373 HydrophobicContact CG1-CG 4.3Å
338	T	88.2	Confident	92.5	Very high	108 Å²	108	44.3 Å²	44.3	66%	0.663	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-70.2	-14.2	177.4	53.6	0	0	0	0	113.3	Q336	Q336-T338 PolarHBondContact O-N 3.04Å; Q336-T338 VanDerWaalsContact O-N 3.09Å
339	S	90.4	Very high	92.6	Very high	55 Å²	55	41 Å²	41	39%	0.385	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-90.9	-6.9	175.4	74.2	0	0	0	0	113.5	N144 Q336 I337	N144-S339 PolarHBondContact ND2-O 3.44Å; N144-S339 PolarHBondContact OD1-O 2.77Å; Q336-S339 WeakPolarHBondContact O-CB 3.48Å; Q336-S339 PolarHBondContact O-N 2.79Å; Q336-S339 PolarHBondContact O-OG 3.02Å; I337-S339 PolarHBondContact O-N 3.03Å
340	F	94.2	Very high	92.6	Very high	6 Å²	6	40.3 Å²	40.3	3%	0.026	21%	0.213	C	C	.	.	S	Bend	trans	-88.6	157	-175.3	-63.9	-15.3	0	0	0	112.7	L147 Y308 T311 L333 Q336 I337 D342 I349	L147-F340 HydrophobicContact CD1-CD1 4.5Å; Y308-F340 HydrophobicContact CD2-CB 4.14Å; Y308-F340 AromaticContact CD2-CD1 3.52Å; Y308-F340 HydrophobicContact CD2-CD1 3.52Å; Y308-F340 HydrophobicContact CD2-CD2 4.11Å; Y308-F340 AromaticContact CD2-CE1 3.87Å; Y308-F340 HydrophobicContact CD2-CE1 3.87Å; Y308-F340 HydrophobicContact CD2-CE2 4.45Å; Y308-F340 AromaticContact CD2-CG 3.65Å; Y308-F340 HydrophobicContact CD2-CG 3.65Å; Y308-F340 HydrophobicContact CD2-CZ 4.32Å; Y308-F340 HydrophobicContact CE2-CB 4.11Å; Y308-F340 HydrophobicContact CE2-CD1 4.34Å; Y308-F340 HydrophobicContact CE2-CG 4.08Å; Y308-F340 HydrophobicContact CG-CD1 4.28Å; Y308-F340 HydrophobicContact CG-CE1 4.39Å; T311-F340 HydrophobicContact CG2-CE2 3.78Å; T311-F340 HydrophobicContact CG2-CZ 4.28Å; L333-F340 HydrophobicContact CD1-CE2 3.88Å; Q336-F340 HydrophobicContact CB-CE1 4.33Å; Q336-F340 HydrophobicContact CB-CZ 3.98Å; I337-F340 HydrophobicContact CG1-CD2 4.48Å; I337-F340 PolarHBondContact O-N 2.93Å; F340-D342 PolarHBondContact O-N 2.9Å; F340-I349 HydrophobicContact CD2-CD1 3.85Å; F340-I349 HydrophobicContact CE2-CD1 4.49Å
341	P	92.4	Very high	92.5	Very high	6 Å²	6	42.8 Å²	42.8	4%	0.039	23%	0.23	C	C	.	.			trans	-61.9	134.1	176.9	-21	33.1	0	0	0	113.1	N144 I148 Y308 D343 V344 C345	N144-P341 HydrophobicContact CB-CG 4.13Å; I148-P341 HydrophobicContact CD1-CB 4.14Å; I148-P341 HydrophobicContact CD1-CG 4.09Å; I148-P341 HydrophobicContact CG1-CB 4.02Å; I148-P341 HydrophobicContact CG1-CG 3.5Å; Y308-P341 VanDerWaalsContact CE2-CD 3.49Å; Y308-P341 HydrophobicContact CE2-CG 4.3Å; P341-D343 VanDerWaalsContact C-N 3.29Å; P341-D343 PolarHBondContact O-N 3.45Å; P341-V344 PolarHBondContact O-N 3.15Å; P341-V344 VanDerWaalsContact O-N 3.1Å; P341-C345 PolarHBondContact O-N 3.09Å; P341-C345 VanDerWaalsContact O-N 3.08Å
342	D	91.2	Very high	92.5	Very high	93 Å²	93	41.1 Å²	41.1	50%	0.497	22%	0.223	S	C	.	.	H	α-helix	trans	-54.5	-39.5	-175.5	-60.7	-13.5	0	0	0	114	F340 V344 C345 R346 L376	F340-D342 PolarHBondContact O-N 2.9Å; D342-V344 VanDerWaalsContact C-N 3.3Å; D342-V344 PolarHBondContact O-N 3.41Å; D342-C345 WeakPolarHBondContact O-CB 3.44Å; D342-C345 PolarHBondContact O-N 3.22Å; D342-R346 WeakPolarHBondContact O-CB 3.48Å; D342-R346 PolarHBondContact O-N 3.47Å; D342-L376 HydrophobicContact CB-CD1 4.42Å
343	D	89.6	Confident	92.4	Very high	33 Å²	33	37 Å²	37	18%	0.176	20%	0.201	C	C	.	.	H	α-helix	trans	-60	-43.4	-178.8	-57	-9.8	0	0	0	111.4	Y135 K139 P341 R346 H347	Y135-D343 WeakPolarHBondContact CE2-OD2 3.36Å; Y135-D343 PolarHBondContact OH-OD2 3.34Å; K139-D343 WeakPolarHBondContact CE-OD2 3.41Å; K139-D343 IonicContact NZ-OD1 3.54Å; K139-D343 PolarHBondContact NZ-OD1 3.39Å; K139-D343 IonicContact NZ-OD2 3.41Å; K139-D343 PolarHBondContact NZ-OD2 3.42Å; P341-D343 VanDerWaalsContact C-N 3.29Å; P341-D343 PolarHBondContact O-N 3.45Å; D343-R346 PolarHBondContact O-N 3.49Å; D343-H347 WeakPolarHBondContact O-CB 3.33Å; D343-H347 PolarHBondContact O-N 3.03Å; D343-H347 PolarHBondContact O-ND1 3.44Å
344	V	92.9	Very high	92.3	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	20%	0.203	C	C	.	.	H	α-helix	trans	-73.6	-41.3	-178.3	-179.8	0	0	0	0	109.6	A184 Y308 L312 P341 D342 R346 K348 I349	A184-V344 WeakPolarHBondContact O-CG2 3.41Å; Y308-V344 HydrophobicContact CE2-CG1 4.24Å; Y308-V344 WeakPolarHBondContact OH-CG2 3.42Å; L312-V344 HydrophobicContact CD1-CG1 4.13Å; L312-V344 HydrophobicContact CD2-CG1 3.65Å; P341-V344 PolarHBondContact O-N 3.15Å; P341-V344 VanDerWaalsContact O-N 3.1Å; D342-V344 VanDerWaalsContact C-N 3.3Å; D342-V344 PolarHBondContact O-N 3.41Å; V344-R346 VanDerWaalsContact C-N 3.33Å; V344-R346 PolarHBondContact O-N 3.34Å; V344-K348 HydrophobicContact CG1-CB 4.13Å; V344-K348 HydrophobicContact CG1-CD 4.49Å; V344-K348 CarbonylContact O-C 3.57Å; V344-K348 WeakPolarHBondContact O-CA 3.17Å; V344-K348 WeakPolarHBondContact O-CB 3.19Å; V344-K348 PolarHBondContact O-N 3.3Å; V344-I349 HydrophobicContact CG1-CD1 4.22Å; V344-I349 HydrophobicContact CG1-CG1 4.22Å; V344-I349 PolarHBondContact O-N 2.84Å
345	C	94.8	Very high	92	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.007	22%	0.217	C	C	.	.	I	π-helix	trans	-55.7	-48.2	171.9	-73.8	0	0	0	0	111.8	P341 D342 L350 L373 L376	P341-C345 PolarHBondContact O-N 3.09Å; P341-C345 VanDerWaalsContact O-N 3.08Å; D342-C345 WeakPolarHBondContact O-CB 3.44Å; D342-C345 PolarHBondContact O-N 3.22Å; C345-L350 WeakPolarHBondContact O-CB 3.39Å; C345-L350 PolarHBondContact O-N 3.27Å; C345-L373 HydrophobicContact CB-CD1 4.42Å; C345-L373 HydrophobicContact CB-CD2 3.69Å; C345-L376 HydrophobicContact CB-CD1 3.77Å
346	R	92.2	Very high	91.8	Very high	71 Å²	71	35.5 Å²	35.5	27%	0.268	19%	0.19	S	C	.	.	I	π-helix	trans	-76.7	-44.7	-173.3	-177.2	176.6	166.8	95.2	5.9	113.7	D342 D343 V344 P351 L376 L377 D381	D342-R346 WeakPolarHBondContact O-CB 3.48Å; D342-R346 PolarHBondContact O-N 3.47Å; D343-R346 PolarHBondContact O-N 3.49Å; V344-R346 VanDerWaalsContact C-N 3.33Å; V344-R346 PolarHBondContact O-N 3.34Å; R346-P351 WeakPolarHBondContact O-CD 3.42Å; R346-L376 PolarHBondContact NH1-O 3.23Å; R346-L377 HydrophobicContact CG-CD2 4.36Å; R346-D381 IonicContact CZ-OD2 3.21Å; R346-D381 VanDerWaalsContact CZ-OD2 3.22Å; R346-D381 IonicContact NH1-OD2 3.32Å; R346-D381 PolarHBondContact NH1-OD2 3.09Å; R346-D381 IonicContact NH2-OD1 3.23Å; R346-D381 PolarHBondContact NH2-OD1 3.26Å; R346-D381 IonicContact NH2-OD2 2.7Å; R346-D381 PolarHBondContact NH2-OD2 3.06Å
347	H	92.2	Very high	91.5	Very high	79 Å²	79	33.4 Å²	33.4	37%	0.366	18%	0.18	S	C	.	.	I	π-helix	trans	-105.8	-12.8	-170	-54.7	117.3	0	0	0	113.9	T183 A184 D343	T183-H347 PolarHBondContact O-ND1 3.3Å; A184-H347 HydrophobicContact CB-CB 4.07Å; D343-H347 WeakPolarHBondContact O-CB 3.33Å; D343-H347 PolarHBondContact O-N 3.03Å; D343-H347 PolarHBondContact O-ND1 3.44Å
348	K	93.1	Very high	91	Very high	8 Å²	8	37.8 Å²	37.8	4%	0.035	20%	0.197	C	C	.	.	I	π-helix	trans	-113.7	-63.7	174.7	-170.6	165.4	177.7	165.7	0	111.8	A184 E186 L312 L315 E316 V344 P351 H352	A184-K348 HydrophobicContact CB-CB 4.25Å; E186-K348 HydrophobicContact CG-CD 4.44Å; E186-K348 WeakPolarHBondContact OE1-CE 3.37Å; E186-K348 IonicContact OE1-NZ 2.85Å; E186-K348 PolarHBondContact OE1-NZ 2.88Å; L312-K348 HydrophobicContact CD2-CD 4.23Å; L315-K348 HydrophobicContact CD2-CG 4.31Å; E316-K348 IonicContact OE1-NZ 3.99Å; E316-K348 PolarHBondContact OE1-NZ 3.26Å; V344-K348 HydrophobicContact CG1-CB 4.13Å; V344-K348 HydrophobicContact CG1-CD 4.49Å; V344-K348 CarbonylContact O-C 3.57Å; V344-K348 WeakPolarHBondContact O-CA 3.17Å; V344-K348 WeakPolarHBondContact O-CB 3.19Å; V344-K348 PolarHBondContact O-N 3.3Å; K348-P351 WeakPolarHBondContact O-CD 3.38Å; K348-H352 PolarHBondContact O-N 3.35Å; K348-H352 PolarHBondContact O-ND1 3.18Å
349	I	95	Very high	90.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.195	C	C	.	.	I	π-helix	trans	-66.4	-52.1	-171.1	-59.4	174.4	0	0	0	111.2	L312 L315 L333 I337 F340 V344 H352 L353 L373	L312-I349 HydrophobicContact CD2-CD1 4.39Å; L312-I349 HydrophobicContact CD2-CG1 4.27Å; L315-I349 HydrophobicContact CD2-CB 4.45Å; L315-I349 HydrophobicContact CD2-CG1 4.04Å; L333-I349 HydrophobicContact CD2-CG2 4.28Å; I337-I349 HydrophobicContact CD1-CG2 3.94Å; F340-I349 HydrophobicContact CD2-CD1 3.85Å; F340-I349 HydrophobicContact CE2-CD1 4.49Å; V344-I349 HydrophobicContact CG1-CD1 4.22Å; V344-I349 HydrophobicContact CG1-CG1 4.22Å; V344-I349 PolarHBondContact O-N 2.84Å; I349-H352 PolarHBondContact O-N 3.47Å; I349-L353 HydrophobicContact CG2-CD1 3.61Å; I349-L353 HydrophobicContact CG2-CG 4.03Å; I349-L353 WeakPolarHBondContact O-CG 3.24Å; I349-L353 PolarHBondContact O-N 3.12Å; I349-L373 HydrophobicContact CG2-CD1 4.44Å
350	L	94.7	Very high	90	Very high	6 Å²	6	40.3 Å²	40.3	3%	0.031	20%	0.203	C	C	.	.	H	α-helix	trans	-57.5	-49.6	-177.6	176.5	70.3	0	0	0	113	C345 H352 L353 V354 V370 L373 L377 V386	C345-L350 WeakPolarHBondContact O-CB 3.39Å; C345-L350 PolarHBondContact O-N 3.27Å; L350-H352 VanDerWaalsContact C-N 3.31Å; L350-H352 PolarHBondContact O-N 2.93Å; L350-L353 PolarHBondContact O-N 3.17Å; L350-V354 HydrophobicContact CD1-CG2 3.67Å; L350-V354 HydrophobicContact CG-CG2 4.08Å; L350-V354 WeakPolarHBondContact O-CB 3.3Å; L350-V354 VanDerWaalsContact O-CG2 3.32Å; L350-V354 WeakPolarHBondContact O-CG2 3.33Å; L350-V354 PolarHBondContact O-N 3.06Å; L350-V370 HydrophobicContact CD1-CG1 4.03Å; L350-V370 HydrophobicContact CD1-CG2 4.27Å; L350-L373 HydrophobicContact CB-CD1 3.68Å; L350-L373 HydrophobicContact CD1-CB 4.35Å; L350-L373 HydrophobicContact CD1-CD1 4.14Å; L350-L373 HydrophobicContact CG-CD1 4.47Å; L350-L377 HydrophobicContact CD2-CD1 3.69Å; L350-L377 HydrophobicContact CD2-CD2 3.65Å; L350-L377 HydrophobicContact CD2-CG 4.18Å; L350-V386 HydrophobicContact CD1-CG2 4.34Å
351	P	91.6	Very high	89.1	Confident	53 Å²	53	43.2 Å²	43.2	34%	0.344	22%	0.224	S	C	.	.	H	α-helix	trans	-56.3	-41.2	176.5	-29.8	36.8	0	0	0	113.8	R346 K348 N355	R346-P351 WeakPolarHBondContact O-CD 3.42Å; K348-P351 WeakPolarHBondContact O-CD 3.38Å; P351-N355 VanDerWaalsContact O-CB 3.3Å; P351-N355 WeakPolarHBondContact O-CB 3.39Å; P351-N355 PolarHBondContact O-N 3.37Å; P351-N355 PolarHBondContact O-ND2 2.92Å
352	H	90.3	Very high	88.1	Confident	85 Å²	85	43.5 Å²	43.5	39%	0.394	23%	0.227	S	C	.	.	H	α-helix	trans	-64.1	-46.8	176.8	-74.8	78.4	0	0	0	111.4	L315 K348 I349 L350 N355 G356	L315-H352 HydrophobicContact CD1-CB 3.78Å; L315-H352 HydrophobicContact CD2-CB 4.25Å; L315-H352 HydrophobicContact CG-CB 4.25Å; K348-H352 PolarHBondContact O-N 3.35Å; K348-H352 PolarHBondContact O-ND1 3.18Å; I349-H352 PolarHBondContact O-N 3.47Å; L350-H352 VanDerWaalsContact C-N 3.31Å; L350-H352 PolarHBondContact O-N 2.93Å; H352-N355 PolarHBondContact O-N 3.44Å; H352-G356 PolarHBondContact O-N 3.24Å
353	L	93.1	Very high	87.6	Confident	2 Å²	2	40.6 Å²	40.6	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-64.3	-43.6	179.5	-65.5	173.8	0	0	0	112.3	L330 L333 I337 I349 L350 G356 L357 A366 P369 V370 L373	L330-L353 HydrophobicContact CD2-CD2 3.5Å; L330-L353 VanDerWaalsContact CD2-CD2 3.5Å; L333-L353 HydrophobicContact CD2-CD1 4.35Å; L333-L353 HydrophobicContact CD2-CD2 4Å; I337-L353 HydrophobicContact CD1-CD1 4.45Å; I349-L353 HydrophobicContact CG2-CD1 3.61Å; I349-L353 HydrophobicContact CG2-CG 4.03Å; I349-L353 WeakPolarHBondContact O-CG 3.24Å; I349-L353 PolarHBondContact O-N 3.12Å; L350-L353 PolarHBondContact O-N 3.17Å; L353-G356 PolarHBondContact O-N 2.83Å; L353-L357 WeakPolarHBondContact O-CG 3.21Å; L353-L357 PolarHBondContact O-N 3.05Å; L353-A366 HydrophobicContact CD2-CB 4.11Å; L353-P369 HydrophobicContact CD1-CB 3.58Å; L353-P369 HydrophobicContact CD2-CB 4.35Å; L353-V370 HydrophobicContact CB-CG2 3.45Å; L353-V370 VanDerWaalsContact CB-CG2 3.45Å; L353-V370 HydrophobicContact CD1-CG2 4.05Å; L353-V370 HydrophobicContact CG-CG2 4.4Å; L353-L373 HydrophobicContact CD1-CD1 4.49Å
354	V	91.9	Very high	87.3	Confident	8 Å²	8	40.3 Å²	40.3	5%	0.048	22%	0.219	C	C	.	.	H	α-helix	trans	-63.5	-45.1	177.3	168.5	0	0	0	0	110.3	L350 G356 L357 R358 V370 Y385 V386 C389	L350-V354 HydrophobicContact CD1-CG2 3.67Å; L350-V354 HydrophobicContact CG-CG2 4.08Å; L350-V354 WeakPolarHBondContact O-CB 3.3Å; L350-V354 VanDerWaalsContact O-CG2 3.32Å; L350-V354 WeakPolarHBondContact O-CG2 3.33Å; L350-V354 PolarHBondContact O-N 3.06Å; V354-G356 VanDerWaalsContact C-N 3.31Å; V354-G356 PolarHBondContact O-N 2.87Å; V354-L357 PolarHBondContact O-N 3.38Å; V354-R358 HydrophobicContact CG1-CG 4.18Å; V354-R358 VanDerWaalsContact O-CB 3.3Å; V354-R358 WeakPolarHBondContact O-CB 3.38Å; V354-R358 WeakPolarHBondContact O-CG 3.3Å; V354-R358 PolarHBondContact O-N 3.43Å; V354-V370 HydrophobicContact CG2-CG1 4.39Å; V354-V370 HydrophobicContact CG2-CG2 4.31Å; V354-Y385 WeakPolarHBondContact CG1-O 3.39Å; V354-V386 HydrophobicContact CG2-CG2 4.49Å; V354-C389 HydrophobicContact CG1-CB 4.25Å
355	N	87.8	Confident	87.1	Confident	71 Å²	71	43.1 Å²	43.1	38%	0.38	23%	0.232	S	C	.	.	H	α-helix	trans	-62.7	-41.4	175.4	-73.6	-21	0	0	0	111.3	P351 H352 L357 R358 Y359	P351-N355 VanDerWaalsContact O-CB 3.3Å; P351-N355 WeakPolarHBondContact O-CB 3.39Å; P351-N355 PolarHBondContact O-N 3.37Å; P351-N355 PolarHBondContact O-ND2 2.92Å; H352-N355 PolarHBondContact O-N 3.44Å; N355-L357 PolarHBondContact O-N 3.17Å; N355-R358 PolarHBondContact O-N 2.93Å; N355-Y359 HydrophobicContact CB-CD2 4.33Å; N355-Y359 HydrophobicContact CB-CE2 4.42Å; N355-Y359 WeakPolarHBondContact O-CD2 3.49Å; N355-Y359 PolarHBondContact O-N 3.14Å
356	G	85.9	Confident	86.9	Confident	5 Å²	5	43.1 Å²	43.1	5%	0.052	23%	0.231	C	C	.	.	H	α-helix	trans	-59	-43.1	175.7	0	0	0	0	0	113.3	H352 L353 V354 G360 S361 A362	H352-G356 PolarHBondContact O-N 3.24Å; L353-G356 PolarHBondContact O-N 2.83Å; V354-G356 VanDerWaalsContact C-N 3.31Å; V354-G356 PolarHBondContact O-N 2.87Å; G356-G360 CarbonylContact O-C 3.53Å; G356-G360 WeakPolarHBondContact O-CA 3.26Å; G356-G360 PolarHBondContact O-N 3.15Å; G356-S361 WeakPolarHBondContact CA-OG 3.32Å; G356-S361 PolarHBondContact O-N 3.45Å; G356-A362 PolarHBondContact O-N 2.87Å
357	L	86.4	Confident	86.9	Confident	8 Å²	8	39.7 Å²	39.7	4%	0.042	22%	0.219	C	C	.	.	H	α-helix	trans	-70.7	-40.7	174.5	-73.7	169.1	0	0	0	112.4	L353 V354 N355 G363 A366 L367 V370 C389 L393	L353-L357 WeakPolarHBondContact O-CG 3.21Å; L353-L357 PolarHBondContact O-N 3.05Å; V354-L357 PolarHBondContact O-N 3.38Å; N355-L357 PolarHBondContact O-N 3.17Å; L357-G363 VanDerWaalsContact CD2-O 3.24Å; L357-G363 WeakPolarHBondContact CD2-O 3.42Å; L357-A366 HydrophobicContact CD1-CB 4.29Å; L357-A366 HydrophobicContact CD2-CB 3.84Å; L357-A366 HydrophobicContact CG-CB 3.74Å; L357-L367 HydrophobicContact CD2-CB 4.35Å; L357-V370 HydrophobicContact CD1-CB 4.17Å; L357-V370 HydrophobicContact CD1-CG2 3.64Å; L357-C389 WeakPolarHBondContact CB-SG 3.42Å; L357-L393 HydrophobicContact CD2-CD1 4.2Å
358	R	83.7	Confident	86.9	Confident	95 Å²	95	37.6 Å²	37.6	36%	0.358	21%	0.21	S	C	.	.	H	α-helix	trans	-64.9	-40.8	-179.1	-77.7	-179.5	70	-167.7	0.2	112	V354 N355 C389 K392	V354-R358 HydrophobicContact CG1-CG 4.18Å; V354-R358 VanDerWaalsContact O-CB 3.3Å; V354-R358 WeakPolarHBondContact O-CB 3.38Å; V354-R358 WeakPolarHBondContact O-CG 3.3Å; V354-R358 PolarHBondContact O-N 3.43Å; N355-R358 PolarHBondContact O-N 2.93Å; R358-C389 HydrophobicContact CG-CB 3.57Å; R358-C389 VanDerWaalsContact CG-SG 3.59Å; R358-K392 WeakPolarHBondContact O-CD 3.34Å; R358-K392 WeakPolarHBondContact O-CE 3.29Å; R358-K392 PolarHBondContact O-NZ 2.92Å
359	Y	82.7	Confident	87	Confident	163 Å²	163	37.2 Å²	37.2	64%	0.639	21%	0.208	S	C	*	.	H	α-helix	trans	-99.5	-4.1	-177.5	-58.8	-66.5	0	0	0	113.3	N355 S361	N355-Y359 HydrophobicContact CB-CD2 4.33Å; N355-Y359 HydrophobicContact CB-CE2 4.42Å; N355-Y359 WeakPolarHBondContact O-CD2 3.49Å; N355-Y359 PolarHBondContact O-N 3.14Å; Y359-S361 VanDerWaalsContact C-N 3.34Å
360	G	74	Confident	87	Confident	53 Å²	53	37.3 Å²	37.3	55%	0.546	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	9.1	174.9	0	0	0	0	0	114.7	G356	G356-G360 CarbonylContact O-C 3.53Å; G356-G360 WeakPolarHBondContact O-CA 3.26Å; G356-G360 PolarHBondContact O-N 3.15Å
361	S	75.8	Confident	86.9	Confident	67 Å²	67	37.5 Å²	37.5	47%	0.469	21%	0.21	S	C	.	.	S	Bend	trans	-74.5	-26.3	-179.1	59.3	0	0	0	0	113.7	G356 Y359	G356-S361 WeakPolarHBondContact CA-OG 3.32Å; G356-S361 PolarHBondContact O-N 3.45Å; Y359-S361 VanDerWaalsContact C-N 3.34Å
362	A	72.2	Confident	87	Confident	11 Å²	11	41.5 Å²	41.5	9%	0.091	22%	0.218	C	C	.	.	S	Bend	trans	-97.1	-5.8	-178	0	0	0	0	0	114.1	L330 G356 A366	L330-A362 HydrophobicContact CD1-CB 4.04Å; L330-A362 WeakPolarHBondContact CD1-O 3.35Å; G356-A362 PolarHBondContact O-N 2.87Å; A362-A366 HydrophobicContact CB-CB 3.78Å
363	G	79.2	Confident	87.2	Confident	33 Å²	33	37.7 Å²	37.7	34%	0.34	20%	0.201	S	C	.	.			trans	69.9	-172.6	-173.7	0	0	0	0	0	113.6	L357 E365	L357-G363 VanDerWaalsContact CD2-O 3.24Å; L357-G363 WeakPolarHBondContact CD2-O 3.42Å; G363-E365 VanDerWaalsContact C-N 3.25Å; G363-E365 PolarHBondContact O-N 3.22Å
364	V	83.3	Confident	87.2	Confident	27 Å²	27	37.8 Å²	37.8	16%	0.164	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-77.8	-15.9	-179.4	74.9	0	0	0	0	111.9	A366 L367 T401 R404	V364-A366 PolarHBondContact O-N 3.45Å; V364-L367 WeakPolarHBondContact O-CB 3.49Å; V364-L367 PolarHBondContact O-N 2.78Å; V364-T401 HydrophobicContact CG2-CG2 4.36Å; V364-R404 HydrophobicContact CG2-CB 3.57Å; V364-R404 HydrophobicContact CG2-CG 3.75Å
365	E	89	Confident	87.2	Confident	60 Å²	60	42.8 Å²	42.8	28%	0.28	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-64.1	-28.6	-178.2	-65.9	92.7	144	0	0	112.3	S327 L330 G363 L367 P369	S327-E365 PolarHBondContact OG-OE1 3.25Å; L330-E365 HydrophobicContact CB-CB 3.96Å; L330-E365 HydrophobicContact CD1-CB 4.1Å; G363-E365 VanDerWaalsContact C-N 3.25Å; G363-E365 PolarHBondContact O-N 3.22Å; E365-L367 PolarHBondContact O-N 3.05Å; E365-P369 WeakPolarHBondContact O-CD 3.42Å
366	A	91.5	Very high	87.3	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-67.9	-14.5	173.3	0	0	0	0	0	113.6	L330 L353 L357 A362 V364 L368 P369 V370	L330-A366 HydrophobicContact CD1-CB 4.02Å; L330-A366 HydrophobicContact CD2-CB 4.07Å; L353-A366 HydrophobicContact CD2-CB 4.11Å; L357-A366 HydrophobicContact CD1-CB 4.29Å; L357-A366 HydrophobicContact CD2-CB 3.84Å; L357-A366 HydrophobicContact CG-CB 3.74Å; A362-A366 HydrophobicContact CB-CB 3.78Å; V364-A366 PolarHBondContact O-N 3.45Å; A366-L368 PolarHBondContact O-N 3.32Å; A366-P369 WeakPolarHBondContact O-CD 3.48Å; A366-V370 WeakPolarHBondContact O-CG2 3.31Å; A366-V370 PolarHBondContact O-N 3.4Å
367	L	92.3	Very high	87.5	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.5	-49.6	-179.8	-179.6	63.2	0	0	0	110.9	L357 V364 E365 V370 L371 L390 L393 R404 L405	L357-L367 HydrophobicContact CD2-CB 4.35Å; V364-L367 WeakPolarHBondContact O-CB 3.49Å; V364-L367 PolarHBondContact O-N 2.78Å; E365-L367 PolarHBondContact O-N 3.05Å; L367-V370 WeakPolarHBondContact O-CB 3.45Å; L367-V370 PolarHBondContact O-N 3.15Å; L367-V370 VanDerWaalsContact O-N 3.12Å; L367-L371 HydrophobicContact CD1-CD1 4.27Å; L367-L371 HydrophobicContact CD1-CD2 4.28Å; L367-L371 HydrophobicContact CD1-CG 4.13Å; L367-L371 HydrophobicContact CG-CD1 3.96Å; L367-L371 HydrophobicContact CG-CG 4.22Å; L367-L371 VanDerWaalsContact O-CG 3.28Å; L367-L371 WeakPolarHBondContact O-CG 3.44Å; L367-L371 PolarHBondContact O-N 3.4Å; L367-L390 HydrophobicContact CD1-CD2 3.73Å; L367-L393 HydrophobicContact CD1-CD1 4.4Å; L367-R404 HydrophobicContact CD2-CB 4.47Å; L367-R404 HydrophobicContact CD2-CG 4Å; L367-L405 HydrophobicContact CD1-CD2 4.25Å; L367-L405 HydrophobicContact CD2-CD2 3.89Å; L367-L405 HydrophobicContact CD2-CG 4.38Å
368	L	92.5	Very high	87.8	Confident	35 Å²	35	45.4 Å²	45.4	18%	0.183	25%	0.25	C	S	.	.	H	α-helix	trans	-62.9	-46.9	-175.4	179.7	61.4	0	0	0	112.5	A334 A366 V370 L371 R372	A334-L368 HydrophobicContact CB-CB 4.38Å; A334-L368 HydrophobicContact CB-CD2 3.77Å; A334-L368 HydrophobicContact CB-CG 3.85Å; A366-L368 PolarHBondContact O-N 3.32Å; L368-V370 VanDerWaalsContact C-N 3.32Å; L368-V370 PolarHBondContact O-N 2.67Å; L368-L371 PolarHBondContact O-N 2.98Å; L368-R372 HydrophobicContact CD1-CG 4.46Å; L368-R372 WeakPolarHBondContact O-CG 3.42Å; L368-R372 PolarHBondContact O-N 2.95Å
369	P	94.3	Very high	88.1	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-52.7	-44.5	169.6	-29.6	35.9	0	0	0	113.8	L330 L333 A334 I337 L353 E365 A366 L371 R372 L373	L330-P369 WeakPolarHBondContact O-CG 3.4Å; L333-P369 HydrophobicContact CD2-CB 4.21Å; L333-P369 HydrophobicContact CD2-CG 4.41Å; L333-P369 HydrophobicContact CG-CB 4.33Å; L333-P369 HydrophobicContact CG-CG 4.42Å; A334-P369 HydrophobicContact CB-CG 3.94Å; I337-P369 HydrophobicContact CD1-CB 4.3Å; L353-P369 HydrophobicContact CD1-CB 3.58Å; L353-P369 HydrophobicContact CD2-CB 4.35Å; E365-P369 WeakPolarHBondContact O-CD 3.42Å; A366-P369 WeakPolarHBondContact O-CD 3.48Å; P369-L371 VanDerWaalsContact C-N 3.35Å; P369-L371 PolarHBondContact O-N 3.22Å; P369-R372 PolarHBondContact O-N 3.08Å; P369-L373 PolarHBondContact O-N 3.25Å
370	V	94.5	Very high	88.5	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.012	26%	0.257	C	S	.	.	H	α-helix	trans	-61.3	-43.4	177.1	169.9	0	0	0	0	111.6	L350 L353 V354 L357 A366 L367 L368 R372 L373 I374 V386	L350-V370 HydrophobicContact CD1-CG1 4.03Å; L350-V370 HydrophobicContact CD1-CG2 4.27Å; L353-V370 HydrophobicContact CB-CG2 3.45Å; L353-V370 VanDerWaalsContact CB-CG2 3.45Å; L353-V370 HydrophobicContact CD1-CG2 4.05Å; L353-V370 HydrophobicContact CG-CG2 4.4Å; V354-V370 HydrophobicContact CG2-CG1 4.39Å; V354-V370 HydrophobicContact CG2-CG2 4.31Å; L357-V370 HydrophobicContact CD1-CB 4.17Å; L357-V370 HydrophobicContact CD1-CG2 3.64Å; A366-V370 WeakPolarHBondContact O-CG2 3.31Å; A366-V370 PolarHBondContact O-N 3.4Å; L367-V370 WeakPolarHBondContact O-CB 3.45Å; L367-V370 PolarHBondContact O-N 3.15Å; L367-V370 VanDerWaalsContact O-N 3.12Å; L368-V370 VanDerWaalsContact C-N 3.32Å; L368-V370 PolarHBondContact O-N 2.67Å; V370-R372 VanDerWaalsContact C-N 3.31Å; V370-R372 PolarHBondContact O-N 2.89Å; V370-L373 PolarHBondContact O-N 3.07Å; V370-L373 VanDerWaalsContact O-N 3.11Å; V370-I374 PolarHBondContact O-N 2.93Å; V370-V386 HydrophobicContact CG1-CG1 3.95Å; V370-V386 HydrophobicContact CG1-CG2 4.43Å
371	L	92.9	Very high	89.3	Confident	10 Å²	10	40.7 Å²	40.7	5%	0.052	24%	0.237	C	C	.	.	H	α-helix	trans	-63.4	-37.6	179.9	-64.8	178.4	0	0	0	112.1	L367 L368 P369 L373 I374 H408 D411 F412	L367-L371 HydrophobicContact CD1-CD1 4.27Å; L367-L371 HydrophobicContact CD1-CD2 4.28Å; L367-L371 HydrophobicContact CD1-CG 4.13Å; L367-L371 HydrophobicContact CG-CD1 3.96Å; L367-L371 HydrophobicContact CG-CG 4.22Å; L367-L371 VanDerWaalsContact O-CG 3.28Å; L367-L371 WeakPolarHBondContact O-CG 3.44Å; L367-L371 PolarHBondContact O-N 3.4Å; L368-L371 PolarHBondContact O-N 2.98Å; P369-L371 VanDerWaalsContact C-N 3.35Å; P369-L371 PolarHBondContact O-N 3.22Å; L371-L373 PolarHBondContact O-N 3.11Å; L371-I374 HydrophobicContact CB-CD1 4.43Å; L371-I374 HydrophobicContact CD2-CD1 3.55Å; L371-I374 WeakPolarHBondContact O-CB 3.31Å; L371-I374 PolarHBondContact O-N 3.44Å; L371-H408 HydrophobicContact CD1-CB 3.4Å; L371-D411 HydrophobicContact CD1-CB 4.44Å; L371-F412 HydrophobicContact CD1-CD1 4.2Å; L371-F412 HydrophobicContact CD2-CB 3.98Å; L371-F412 HydrophobicContact CD2-CD1 3.51Å; L371-F412 HydrophobicContact CD2-CE1 4.3Å; L371-F412 HydrophobicContact CD2-CG 4.03Å
372	R	94.2	Very high	90.2	Very high	137 Å²	137	37.6 Å²	37.6	52%	0.517	22%	0.215	S	C	.	.	H	α-helix	trans	-64.7	-20.6	176	-66.7	-66.6	179.8	175.9	-1	113.4	I337 L368 P369 V370	I337-R372 HydrophobicContact CG2-CB 3.85Å; I337-R372 HydrophobicContact CG2-CG 4.44Å; L368-R372 HydrophobicContact CD1-CG 4.46Å; L368-R372 WeakPolarHBondContact O-CG 3.42Å; L368-R372 PolarHBondContact O-N 2.95Å; P369-R372 PolarHBondContact O-N 3.08Å; V370-R372 VanDerWaalsContact C-N 3.31Å; V370-R372 PolarHBondContact O-N 2.89Å
373	L	94.2	Very high	91.2	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.026	22%	0.221	C	C	.	.	H	α-helix	trans	-91.6	-9.3	177.4	-64.6	-173.7	0	0	0	114.2	I337 C345 I349 L350 L353 P369 V370 L371 P375 L376	I337-L373 HydrophobicContact CD1-CD1 3.73Å; I337-L373 HydrophobicContact CD1-CD2 3.64Å; I337-L373 HydrophobicContact CD1-CG 3.65Å; I337-L373 HydrophobicContact CG1-CD2 3.72Å; I337-L373 HydrophobicContact CG1-CG 4.3Å; C345-L373 HydrophobicContact CB-CD1 4.42Å; C345-L373 HydrophobicContact CB-CD2 3.69Å; I349-L373 HydrophobicContact CG2-CD1 4.44Å; L350-L373 HydrophobicContact CB-CD1 3.68Å; L350-L373 HydrophobicContact CD1-CB 4.35Å; L350-L373 HydrophobicContact CD1-CD1 4.14Å; L350-L373 HydrophobicContact CG-CD1 4.47Å; L353-L373 HydrophobicContact CD1-CD1 4.49Å; P369-L373 PolarHBondContact O-N 3.25Å; V370-L373 PolarHBondContact O-N 3.07Å; V370-L373 VanDerWaalsContact O-N 3.11Å; L371-L373 PolarHBondContact O-N 3.11Å; L373-P375 VanDerWaalsContact C-CD 3.43Å; L373-P375 VanDerWaalsContact C-N 3.32Å; L373-L376 HydrophobicContact CD2-CD1 3.95Å; L373-L376 WeakPolarHBondContact O-CB 3.03Å; L373-L376 PolarHBondContact O-N 3.41Å
374	I	92.4	Very high	91.8	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.021	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-54.4	-41.7	179.5	-67.9	173.9	0	0	0	112.7	V370 L371 L376 L377 F382 F412 H415	V370-I374 PolarHBondContact O-N 2.93Å; L371-I374 HydrophobicContact CB-CD1 4.43Å; L371-I374 HydrophobicContact CD2-CD1 3.55Å; L371-I374 WeakPolarHBondContact O-CB 3.31Å; L371-I374 PolarHBondContact O-N 3.44Å; I374-L376 PolarHBondContact O-N 3.4Å; I374-L376 VanDerWaalsContact O-N 3.09Å; I374-L377 WeakPolarHBondContact O-CB 3.3Å; I374-L377 PolarHBondContact O-N 3.31Å; I374-F382 HydrophobicContact CD1-CD2 4.31Å; I374-F382 HydrophobicContact CD1-CE2 3.86Å; I374-F382 HydrophobicContact CG1-CD2 4.22Å; I374-F382 HydrophobicContact CG1-CE2 4.27Å; I374-F382 HydrophobicContact CG2-CD2 4.18Å; I374-F412 HydrophobicContact CD1-CB 3.78Å; I374-H415 WeakPolarHBondContact CG2-CE1 3.16Å
375	P	91.9	Very high	92.1	Very high	112 Å²	112	46.8 Å²	46.8	73%	0.727	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-60.8	-19.5	178.9	-25.7	36.4	0	0	0	114.9	L373 L377	L373-P375 VanDerWaalsContact C-CD 3.43Å; L373-P375 VanDerWaalsContact C-N 3.32Å; P375-L377 VanDerWaalsContact C-N 3.26Å
376	L	89.9	Confident	92.3	Very high	59 Å²	59	44 Å²	44	31%	0.309	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-83.1	-2.5	175.7	-55.8	-176.4	0	0	0	113	D342 C345 R346 L373 I374	D342-L376 HydrophobicContact CB-CD1 4.42Å; C345-L376 HydrophobicContact CB-CD1 3.77Å; R346-L376 PolarHBondContact NH1-O 3.23Å; L373-L376 HydrophobicContact CD2-CD1 3.95Å; L373-L376 WeakPolarHBondContact O-CB 3.03Å; L373-L376 PolarHBondContact O-N 3.41Å; I374-L376 PolarHBondContact O-N 3.4Å; I374-L376 VanDerWaalsContact O-N 3.09Å
377	L	91.6	Very high	92.4	Very high	24 Å²	24	44.6 Å²	44.6	13%	0.126	24%	0.237	C	C	.	.	S	Bend	trans	-107.6	141	-174.6	-56.9	-178.3	0	0	0	110.8	R346 L350 I374 P375 D381 V386	R346-L377 HydrophobicContact CG-CD2 4.36Å; L350-L377 HydrophobicContact CD2-CD1 3.69Å; L350-L377 HydrophobicContact CD2-CD2 3.65Å; L350-L377 HydrophobicContact CD2-CG 4.18Å; I374-L377 WeakPolarHBondContact O-CB 3.3Å; I374-L377 PolarHBondContact O-N 3.31Å; P375-L377 VanDerWaalsContact C-N 3.26Å; L377-D381 HydrophobicContact CB-CB 4.11Å; L377-D381 HydrophobicContact CD2-CB 4.23Å; L377-V386 HydrophobicContact CD1-CG2 3.61Å
378	S	91.6	Very high	92.3	Very high	57 Å²	57	47.3 Å²	47.3	40%	0.399	25%	0.254	S	S	.	.			trans	-70.3	160.4	162.8	69.8	0	0	0	0	110	S380 D381 F382	S378-S380 PolarHBondContact O-N 3.17Å; S378-D381 PolarHBondContact N-OD2 3.04Å; S378-D381 PolarHBondContact O-N 3.29Å; S378-D381 VanDerWaalsContact O-N 3.07Å; S378-D381 PolarHBondContact OG-N 2.94Å; S378-D381 PolarHBondContact OG-OD2 2.84Å; S378-F382 PolarHBondContact O-N 3.22Å
379	D	90	Very high	92.3	Very high	108 Å²	108	45.8 Å²	45.8	58%	0.578	25%	0.246	S	C	*	.	H	α-helix	trans	-54.9	-39.3	173.6	-73.2	-54.9	0	0	0	111.7	D381 F382 Q383 H415	D379-D381 PolarHBondContact O-N 3.33Å; D379-F382 PolarHBondContact O-N 3.47Å; D379-Q383 VanDerWaalsContact O-CG 3.22Å; D379-Q383 WeakPolarHBondContact O-CG 3.42Å; D379-Q383 PolarHBondContact O-N 3.32Å; D379-H415 IonicContact OD1-CD2 2.99Å
380	S	91.6	Very high	92.2	Very high	80 Å²	80	45.9 Å²	45.9	56%	0.559	25%	0.247	S	C	*	.	H	α-helix	trans	-61.8	-43	177.3	-175.6	0	0	0	0	112.3	S378 Q383 T384	S378-S380 PolarHBondContact O-N 3.17Å; S380-Q383 PolarHBondContact O-N 3.07Å; S380-T384 WeakPolarHBondContact O-CB 3.4Å; S380-T384 PolarHBondContact O-N 3.22Å; S380-T384 PolarHBondContact O-OG1 2.76Å
381	D	91.3	Very high	92.1	Very high	24 Å²	24	46.9 Å²	46.9	13%	0.128	25%	0.252	C	S	.	.	H	α-helix	trans	-67.6	-41.5	177.7	-62.7	-44.7	0	0	0	111.1	R346 L377 S378 D379 Q383 T384 Y385	R346-D381 IonicContact CZ-OD2 3.21Å; R346-D381 VanDerWaalsContact CZ-OD2 3.22Å; R346-D381 IonicContact NH1-OD2 3.32Å; R346-D381 PolarHBondContact NH1-OD2 3.09Å; R346-D381 IonicContact NH2-OD1 3.23Å; R346-D381 PolarHBondContact NH2-OD1 3.26Å; R346-D381 IonicContact NH2-OD2 2.7Å; R346-D381 PolarHBondContact NH2-OD2 3.06Å; L377-D381 HydrophobicContact CB-CB 4.11Å; L377-D381 HydrophobicContact CD2-CB 4.23Å; S378-D381 PolarHBondContact N-OD2 3.04Å; S378-D381 PolarHBondContact O-N 3.29Å; S378-D381 VanDerWaalsContact O-N 3.07Å; S378-D381 PolarHBondContact OG-N 2.94Å; S378-D381 PolarHBondContact OG-OD2 2.84Å; D379-D381 PolarHBondContact O-N 3.33Å; D381-Q383 PolarHBondContact O-N 2.85Å; D381-T384 PolarHBondContact O-N 2.93Å; D381-Y385 HydrophobicContact CB-CD2 4.03Å; D381-Y385 HydrophobicContact CB-CE2 4.32Å; D381-Y385 WeakPolarHBondContact O-CB 3.29Å; D381-Y385 VanDerWaalsContact O-CD2 3.26Å; D381-Y385 WeakPolarHBondContact O-CD2 3.23Å; D381-Y385 PolarHBondContact O-N 3.01Å
382	F	94	Very high	92	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.009	27%	0.274	C	S	.	.	I	π-helix	trans	-58.6	-47.6	175	174.9	-91	0	0	0	111.1	I374 S378 D379 T384 V386 L387 L390 H415 L416	I374-F382 HydrophobicContact CD1-CD2 4.31Å; I374-F382 HydrophobicContact CD1-CE2 3.86Å; I374-F382 HydrophobicContact CG1-CD2 4.22Å; I374-F382 HydrophobicContact CG1-CE2 4.27Å; I374-F382 HydrophobicContact CG2-CD2 4.18Å; S378-F382 PolarHBondContact O-N 3.22Å; D379-F382 PolarHBondContact O-N 3.47Å; F382-T384 VanDerWaalsContact C-N 3.28Å; F382-T384 PolarHBondContact O-N 2.93Å; F382-V386 HydrophobicContact CD2-CB 3.82Å; F382-V386 HydrophobicContact CD2-CG1 3.97Å; F382-V386 HydrophobicContact CD2-CG2 4.4Å; F382-V386 HydrophobicContact CE2-CB 4.04Å; F382-V386 HydrophobicContact CE2-CG1 3.71Å; F382-V386 HydrophobicContact CG-CB 4.49Å; F382-V386 PolarHBondContact O-N 3.47Å; F382-L387 HydrophobicContact CD1-CB 4.45Å; F382-L387 HydrophobicContact CE1-CB 4.08Å; F382-L387 HydrophobicContact CE1-CD1 4.43Å; F382-L387 PolarHBondContact O-N 3.19Å; F382-L390 HydrophobicContact CE2-CD1 4.15Å; F382-L390 HydrophobicContact CZ-CD1 3.91Å; F382-H415 HydrophobicContact CD1-CB 3.73Å; F382-H415 HydrophobicContact CD2-CB 4.35Å; F382-H415 HydrophobicContact CE1-CB 3.5Å; F382-H415 HydrophobicContact CE2-CB 4.15Å; F382-H415 HydrophobicContact CG-CB 4.16Å; F382-H415 HydrophobicContact CZ-CB 3.73Å; F382-L416 HydrophobicContact CE1-CD2 4.45Å; F382-L416 HydrophobicContact CZ-CD2 4.36Å
383	Q	93.8	Very high	91.8	Very high	47 Å²	47	46.2 Å²	46.2	22%	0.22	25%	0.253	C	S	.	.	I	π-helix	trans	-62.8	-35	178	-65.5	-60.9	-50.1	0	0	112.3	D379 S380 D381 P388 H415	D379-Q383 VanDerWaalsContact O-CG 3.22Å; D379-Q383 WeakPolarHBondContact O-CG 3.42Å; D379-Q383 PolarHBondContact O-N 3.32Å; S380-Q383 PolarHBondContact O-N 3.07Å; D381-Q383 PolarHBondContact O-N 2.85Å; Q383-P388 WeakPolarHBondContact O-CD 3.4Å; Q383-H415 PolarHBondContact NE2-O 2.89Å; Q383-H415 VanDerWaalsContact NE2-O 3.17Å
384	T	91	Very high	91.8	Very high	82 Å²	82	46.5 Å²	46.5	50%	0.503	25%	0.254	S	S	.	.	I	π-helix	trans	-81.6	-45.6	-175.3	-56.8	0	0	0	0	112.4	S380 D381 F382	S380-T384 WeakPolarHBondContact O-CB 3.4Å; S380-T384 PolarHBondContact O-N 3.22Å; S380-T384 PolarHBondContact O-OG1 2.76Å; D381-T384 PolarHBondContact O-N 2.93Å; F382-T384 VanDerWaalsContact C-N 3.28Å; F382-T384 PolarHBondContact O-N 2.93Å
385	Y	89.2	Confident	91.7	Very high	135 Å²	135	50.3 Å²	50.3	53%	0.529	28%	0.282	S	S	.	.	I	π-helix	trans	-102.1	-43.3	-169.5	-59.1	-67.4	0	0	0	113.1	V354 D381	V354-Y385 WeakPolarHBondContact CG1-O 3.39Å; D381-Y385 HydrophobicContact CB-CD2 4.03Å; D381-Y385 HydrophobicContact CB-CE2 4.32Å; D381-Y385 WeakPolarHBondContact O-CB 3.29Å; D381-Y385 VanDerWaalsContact O-CD2 3.26Å; D381-Y385 WeakPolarHBondContact O-CD2 3.23Å; D381-Y385 PolarHBondContact O-N 3.01Å
386	V	93.2	Very high	91.6	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.006	26%	0.258	C	S	.	.	I	π-helix	trans	-94.1	-46.8	-169.6	-178.9	0	0	0	0	112.2	L350 V354 V370 L377 F382 C389 L390	L350-V386 HydrophobicContact CD1-CG2 4.34Å; V354-V386 HydrophobicContact CG2-CG2 4.49Å; V370-V386 HydrophobicContact CG1-CG1 3.95Å; V370-V386 HydrophobicContact CG1-CG2 4.43Å; L377-V386 HydrophobicContact CD1-CG2 3.61Å; F382-V386 HydrophobicContact CD2-CB 3.82Å; F382-V386 HydrophobicContact CD2-CG1 3.97Å; F382-V386 HydrophobicContact CD2-CG2 4.4Å; F382-V386 HydrophobicContact CE2-CB 4.04Å; F382-V386 HydrophobicContact CE2-CG1 3.71Å; F382-V386 HydrophobicContact CG-CB 4.49Å; F382-V386 PolarHBondContact O-N 3.47Å; V386-C389 VanDerWaalsContact O-CB 3.26Å; V386-C389 WeakPolarHBondContact O-CB 3.36Å; V386-C389 PolarHBondContact O-N 3.21Å; V386-C389 VanDerWaalsContact O-N 3.09Å; V386-L390 HydrophobicContact CG1-CD1 3.99Å; V386-L390 HydrophobicContact CG1-CG 4.16Å; V386-L390 PolarHBondContact O-N 3.38Å; V386-L390 VanDerWaalsContact O-N 3.13Å
387	L	93.7	Very high	91.5	Very high	12 Å²	12	49.2 Å²	49.2	6%	0.063	28%	0.279	C	S	.	.	H	α-helix	trans	-56.5	-45.6	-175.5	178.4	65.3	0	0	0	113.6	F382 C389 L390 L391 L416	F382-L387 HydrophobicContact CD1-CB 4.45Å; F382-L387 HydrophobicContact CE1-CB 4.08Å; F382-L387 HydrophobicContact CE1-CD1 4.43Å; F382-L387 PolarHBondContact O-N 3.19Å; L387-C389 PolarHBondContact O-N 2.79Å; L387-L390 PolarHBondContact O-N 2.71Å; L387-L391 HydrophobicContact CD1-CD1 4.27Å; L387-L391 HydrophobicContact CD1-CD2 4.18Å; L387-L391 HydrophobicContact CD1-CG 3.94Å; L387-L391 HydrophobicContact CG-CD1 4.02Å; L387-L391 HydrophobicContact CG-CG 4.15Å; L387-L391 WeakPolarHBondContact O-CG 3.22Å; L387-L391 PolarHBondContact O-N 3.36Å; L387-L416 HydrophobicContact CD1-CD2 3.68Å
388	P	91.6	Very high	91.5	Very high	57 Å²	57	53.1 Å²	53.1	37%	0.37	30%	0.296	S	S	.	.	H	α-helix	trans	-59.6	-32.5	179.9	-24.8	36.2	0	0	0	112.6	Q383 K392	Q383-P388 WeakPolarHBondContact O-CD 3.4Å; P388-K392 PolarHBondContact O-N 2.91Å
389	C	90.7	Very high	91.5	Very high	3 Å²	3	55.7 Å²	55.7	2%	0.02	30%	0.297	C	S	.	.	H	α-helix	trans	-66.9	-50	173.5	-175.7	0	0	0	0	111.5	V354 L357 R358 V386 L387 L391 K392 L393	V354-C389 HydrophobicContact CG1-CB 4.25Å; L357-C389 WeakPolarHBondContact CB-SG 3.42Å; R358-C389 HydrophobicContact CG-CB 3.57Å; R358-C389 VanDerWaalsContact CG-SG 3.59Å; V386-C389 VanDerWaalsContact O-CB 3.26Å; V386-C389 WeakPolarHBondContact O-CB 3.36Å; V386-C389 PolarHBondContact O-N 3.21Å; V386-C389 VanDerWaalsContact O-N 3.09Å; L387-C389 PolarHBondContact O-N 2.79Å; C389-L391 VanDerWaalsContact C-N 3.3Å; C389-L391 PolarHBondContact O-N 2.85Å; C389-K392 WeakPolarHBondContact O-CB 3.47Å; C389-K392 PolarHBondContact O-N 2.93Å; C389-K392 VanDerWaalsContact O-N 3.16Å; C389-L393 WeakPolarHBondContact O-CG 3.45Å; C389-L393 PolarHBondContact O-N 3.41Å
390	L	92.7	Very high	91.5	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-58.4	-42.1	179.2	-65.3	177.3	0	0	0	112	L367 F382 V386 L387 K392 L393 F394 L405 F412	L367-L390 HydrophobicContact CD1-CD2 3.73Å; F382-L390 HydrophobicContact CE2-CD1 4.15Å; F382-L390 HydrophobicContact CZ-CD1 3.91Å; V386-L390 HydrophobicContact CG1-CD1 3.99Å; V386-L390 HydrophobicContact CG1-CG 4.16Å; V386-L390 PolarHBondContact O-N 3.38Å; V386-L390 VanDerWaalsContact O-N 3.13Å; L387-L390 PolarHBondContact O-N 2.71Å; L390-K392 VanDerWaalsContact C-N 3.32Å; L390-K392 PolarHBondContact O-N 3.17Å; L390-L393 PolarHBondContact O-N 3.3Å; L390-L393 VanDerWaalsContact O-N 3.13Å; L390-F394 VanDerWaalsContact O-CD2 3.22Å; L390-F394 WeakPolarHBondContact O-CD2 3.37Å; L390-F394 PolarHBondContact O-N 3.35Å; L390-L405 HydrophobicContact CD2-CD2 4.17Å; L390-F412 HydrophobicContact CD1-CD2 3.84Å; L390-F412 HydrophobicContact CD1-CE2 4.14Å; L390-F412 HydrophobicContact CD1-CG 4.27Å
391	L	92.7	Very high	91.5	Very high	23 Å²	23	50.2 Å²	50.2	12%	0.12	27%	0.27	C	S	.	.	H	α-helix	trans	-62.7	-38.9	177.7	-66.1	177.8	0	0	0	112.7	L387 C389 L393 F394 S395 Q424 I425	L387-L391 HydrophobicContact CD1-CD1 4.27Å; L387-L391 HydrophobicContact CD1-CD2 4.18Å; L387-L391 HydrophobicContact CD1-CG 3.94Å; L387-L391 HydrophobicContact CG-CD1 4.02Å; L387-L391 HydrophobicContact CG-CG 4.15Å; L387-L391 WeakPolarHBondContact O-CG 3.22Å; L387-L391 PolarHBondContact O-N 3.36Å; C389-L391 VanDerWaalsContact C-N 3.3Å; C389-L391 PolarHBondContact O-N 2.85Å; L391-L393 VanDerWaalsContact C-N 3.34Å; L391-F394 PolarHBondContact O-N 3.07Å; L391-S395 PolarHBondContact O-N 2.93Å; L391-S395 VanDerWaalsContact O-N 3.14Å; L391-S395 PolarHBondContact O-OG 3.39Å; L391-Q424 HydrophobicContact CD2-CB 4Å; L391-I425 HydrophobicContact CD2-CD1 4Å; L391-I425 HydrophobicContact CD2-CG1 3.72Å
392	K	90.2	Very high	91.6	Very high	116 Å²	116	50.7 Å²	50.7	50%	0.504	27%	0.27	S	S	.	.	H	α-helix	trans	-63.3	-42.1	173.1	-172.9	176.8	-180	179.6	0	111.2	R358 P388 C389 L390 S395 S396	R358-K392 WeakPolarHBondContact O-CD 3.34Å; R358-K392 WeakPolarHBondContact O-CE 3.29Å; R358-K392 PolarHBondContact O-NZ 2.92Å; P388-K392 PolarHBondContact O-N 2.91Å; C389-K392 WeakPolarHBondContact O-CB 3.47Å; C389-K392 PolarHBondContact O-N 2.93Å; C389-K392 VanDerWaalsContact O-N 3.16Å; L390-K392 VanDerWaalsContact C-N 3.32Å; L390-K392 PolarHBondContact O-N 3.17Å; K392-S395 PolarHBondContact O-N 3.29Å; K392-S396 PolarHBondContact O-N 3.09Å
393	L	91.5	Very high	91.7	Very high	18 Å²	18	51.3 Å²	51.3	9%	0.094	27%	0.274	C	S	.	.	H	α-helix	trans	-66.5	-39.1	177.8	-63.8	173.4	0	0	0	112.1	L357 L367 C389 L390 L391 S395 S396 T401 L405	L357-L393 HydrophobicContact CD2-CD1 4.2Å; L367-L393 HydrophobicContact CD1-CD1 4.4Å; C389-L393 WeakPolarHBondContact O-CG 3.45Å; C389-L393 PolarHBondContact O-N 3.41Å; L390-L393 PolarHBondContact O-N 3.3Å; L390-L393 VanDerWaalsContact O-N 3.13Å; L391-L393 VanDerWaalsContact C-N 3.34Å; L393-S395 PolarHBondContact O-N 3.21Å; L393-S396 WeakPolarHBondContact O-CB 2.78Å; L393-S396 PolarHBondContact O-N 3.22Å; L393-T401 HydrophobicContact CB-CG2 4.01Å; L393-T401 HydrophobicContact CD2-CG2 3.87Å; L393-T401 HydrophobicContact CG-CG2 4.48Å; L393-L405 VanDerWaalsContact C-CD1 3.46Å; L393-L405 HydrophobicContact CB-CD1 3.67Å; L393-L405 HydrophobicContact CB-CD2 4.17Å; L393-L405 HydrophobicContact CB-CG 4.29Å; L393-L405 HydrophobicContact CD1-CD2 4.3Å
394	F	93	Very high	91.6	Very high	10 Å²	10	52 Å²	52	4%	0.044	28%	0.275	C	S	.	.	H	α-helix	trans	-61.9	-32.8	173.8	-84	-66.6	0	0	0	112.4	L390 L391 S396 L405 L409 F412 I425 P428 V429	L390-F394 VanDerWaalsContact O-CD2 3.22Å; L390-F394 WeakPolarHBondContact O-CD2 3.37Å; L390-F394 PolarHBondContact O-N 3.35Å; L391-F394 PolarHBondContact O-N 3.07Å; F394-S396 PolarHBondContact O-N 3.28Å; F394-L405 HydrophobicContact CB-CD1 4.5Å; F394-L405 HydrophobicContact CD1-CD1 3.87Å; F394-L405 HydrophobicContact CD2-CD1 4.39Å; F394-L405 HydrophobicContact CE1-CB 4.16Å; F394-L405 HydrophobicContact CE1-CD1 4.13Å; F394-L405 HydrophobicContact CG-CD1 4Å; F394-L405 HydrophobicContact CZ-CB 4.41Å; F394-L405 HydrophobicContact CZ-CD1 4.49Å; F394-L409 HydrophobicContact CZ-CD1 4.24Å; F394-F412 AromaticContact CE2-CE2 3.93Å; F394-F412 HydrophobicContact CE2-CE2 3.93Å; F394-F412 HydrophobicContact CE2-CZ 4.15Å; F394-F412 AromaticContact CZ-CE2 3.99Å; F394-F412 HydrophobicContact CZ-CE2 3.99Å; F394-F412 AromaticContact CZ-CZ 3.89Å; F394-F412 HydrophobicContact CZ-CZ 3.89Å; F394-I425 HydrophobicContact CD1-CG2 4.02Å; F394-I425 HydrophobicContact CD2-CD1 4.3Å; F394-I425 HydrophobicContact CD2-CG1 4.11Å; F394-I425 HydrophobicContact CD2-CG2 4.22Å; F394-I425 HydrophobicContact CE1-CG2 3.89Å; F394-I425 HydrophobicContact CE2-CD1 4.13Å; F394-I425 HydrophobicContact CE2-CG1 4.37Å; F394-I425 HydrophobicContact CE2-CG2 4.1Å; F394-I425 HydrophobicContact CG-CG2 4.19Å; F394-I425 HydrophobicContact CZ-CG2 3.94Å; F394-P428 WeakPolarHBondContact O-CB 3.46Å; F394-V429 HydrophobicContact CD1-CG2 3.85Å; F394-V429 HydrophobicContact CE1-CG2 3.81Å
395	S	91.2	Very high	91.8	Very high	85 Å²	85	48.1 Å²	48.1	59%	0.594	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-6.1	176.6	-54.3	0	0	0	0	113.3	L391 K392 L393	L391-S395 PolarHBondContact O-N 2.93Å; L391-S395 VanDerWaalsContact O-N 3.14Å; L391-S395 PolarHBondContact O-OG 3.39Å; K392-S395 PolarHBondContact O-N 3.29Å; L393-S395 PolarHBondContact O-N 3.21Å
396	S	89.8	Confident	92.1	Very high	34 Å²	34	42.2 Å²	42.2	24%	0.238	23%	0.228	C	C	.	.			trans	-72.8	134.5	-179.4	-175	0	0	0	0	111.6	K392 L393 F394 E398	K392-S396 PolarHBondContact O-N 3.09Å; L393-S396 WeakPolarHBondContact O-CB 2.78Å; L393-S396 PolarHBondContact O-N 3.22Å; F394-S396 PolarHBondContact O-N 3.28Å; S396-E398 PolarHBondContact O-N 2.91Å; S396-E398 WeakPolarHBondContact OG-CB 3.4Å; S396-E398 PolarHBondContact OG-N 2.73Å
397	P	87.8	Confident	92.2	Very high	113 Å²	113	47.1 Å²	47.1	73%	0.734	25%	0.251	S	S	*	.			trans	-73.2	-17.2	174.4	31.2	-35.1	0	0	0	112.9	R399 R402	P397-R399 PolarHBondContact O-N 3.43Å; P397-R402 PolarHBondContact O-NE 3.03Å; P397-R402 PolarHBondContact O-NH2 2.74Å
398	E	90.7	Very high	92.2	Very high	106 Å²	106	47.8 Å²	47.8	50%	0.495	25%	0.254	S	S	.	.			trans	-60.5	124.3	-173.6	-175.6	47.1	-118.1	0	0	111.6	S396 A400 T401 R402	S396-E398 PolarHBondContact O-N 2.91Å; S396-E398 WeakPolarHBondContact OG-CB 3.4Å; S396-E398 PolarHBondContact OG-N 2.73Å; E398-A400 HydrophobicContact CG-CB 4.49Å; E398-A400 PolarHBondContact O-N 2.71Å; E398-A400 PolarHBondContact OE1-N 2.85Å; E398-T401 PolarHBondContact O-N 2.86Å; E398-R402 PolarHBondContact O-N 3.19Å; E398-R402 VanDerWaalsContact O-N 3.15Å
399	R	92.5	Very high	92.4	Very high	111 Å²	111	45.1 Å²	45.1	42%	0.419	24%	0.237	S	C	.	.	H	α-helix	trans	-66.4	-42.8	-172.4	-62.5	-161.2	179.5	94.4	-3.8	110.9	P397 T401 R402 V403 D435 T436 V440	P397-R399 PolarHBondContact O-N 3.43Å; R399-T401 VanDerWaalsContact C-N 3.34Å; R399-T401 PolarHBondContact O-N 3.47Å; R399-R402 PolarHBondContact O-N 2.82Å; R399-V403 WeakPolarHBondContact O-CG2 3.22Å; R399-V403 PolarHBondContact O-N 3.25Å; R399-D435 IonicContact NE-OD1 2.78Å; R399-D435 PolarHBondContact NE-OD1 3.26Å; R399-T436 PolarHBondContact NH2-OG1 3.12Å; R399-V440 HydrophobicContact CB-CG2 3.91Å; R399-V440 HydrophobicContact CG-CG2 4.14Å
400	A	90.2	Very high	92.6	Very high	56 Å²	56	47.2 Å²	47.2	46%	0.463	25%	0.25	S	C	.	.	H	α-helix	trans	-60.7	-44.1	-180	0	0	0	0	0	111.6	E398 R402 V403 R404	E398-A400 HydrophobicContact CG-CB 4.49Å; E398-A400 PolarHBondContact O-N 2.71Å; E398-A400 PolarHBondContact OE1-N 2.85Å; A400-R402 PolarHBondContact O-N 3.38Å; A400-V403 PolarHBondContact O-N 2.83Å; A400-R404 WeakPolarHBondContact O-CB 3.45Å; A400-R404 PolarHBondContact O-N 3.3Å
401	T	91	Very high	92.5	Very high	17 Å²	17	50.7 Å²	50.7	10%	0.104	27%	0.269	C	S	.	.	H	α-helix	trans	-59.7	-47.1	175.9	-54.1	0	0	0	0	111.9	V364 L393 E398 R399 R404 L405	V364-T401 HydrophobicContact CG2-CG2 4.36Å; L393-T401 HydrophobicContact CB-CG2 4.01Å; L393-T401 HydrophobicContact CD2-CG2 3.87Å; L393-T401 HydrophobicContact CG-CG2 4.48Å; E398-T401 PolarHBondContact O-N 2.86Å; R399-T401 VanDerWaalsContact C-N 3.34Å; R399-T401 PolarHBondContact O-N 3.47Å; T401-R404 PolarHBondContact O-N 3.37Å; T401-L405 HydrophobicContact CG2-CD1 4.28Å; T401-L405 WeakPolarHBondContact O-CB 3.46Å; T401-L405 WeakPolarHBondContact O-CG 3.44Å; T401-L405 PolarHBondContact O-N 3.09Å
402	R	93.8	Very high	92.6	Very high	34 Å²	34	49.6 Å²	49.6	13%	0.128	26%	0.263	C	S	.	.	H	α-helix	trans	-62.1	-47.9	179.3	-72.4	-174.2	-69.6	145.5	-5.1	112.1	P397 E398 R399 A400 R404 L405 L406 D435	P397-R402 PolarHBondContact O-NE 3.03Å; P397-R402 PolarHBondContact O-NH2 2.74Å; E398-R402 PolarHBondContact O-N 3.19Å; E398-R402 VanDerWaalsContact O-N 3.15Å; R399-R402 PolarHBondContact O-N 2.82Å; A400-R402 PolarHBondContact O-N 3.38Å; R402-R404 VanDerWaalsContact C-N 3.33Å; R402-R404 PolarHBondContact O-N 2.87Å; R402-L405 PolarHBondContact O-N 2.98Å; R402-L406 WeakPolarHBondContact O-CB 3.4Å; R402-L406 WeakPolarHBondContact O-CD1 3.44Å; R402-L406 WeakPolarHBondContact O-CG 3.31Å; R402-L406 PolarHBondContact O-N 2.71Å; R402-L406 VanDerWaalsContact O-N 3.07Å; R402-D435 IonicContact CZ-OD2 2.63Å; R402-D435 VanDerWaalsContact CZ-OD2 3.23Å; R402-D435 IonicContact NH1-OD2 3.7Å; R402-D435 PolarHBondContact NH1-OD2 2.78Å; R402-D435 IonicContact NH2-OD2 3.66Å; R402-D435 PolarHBondContact NH2-OD2 2.81Å
403	V	95.1	Very high	92.7	Very high	16 Å²	16	44.9 Å²	44.9	10%	0.097	24%	0.244	C	C	.	.	H	α-helix	trans	-57.7	-48.6	178	171.8	0	0	0	0	110.2	R399 A400 L405 L406 E407 V439 V440 A443	R399-V403 WeakPolarHBondContact O-CG2 3.22Å; R399-V403 PolarHBondContact O-N 3.25Å; A400-V403 PolarHBondContact O-N 2.83Å; V403-L405 PolarHBondContact O-N 3.48Å; V403-L406 PolarHBondContact O-N 3.47Å; V403-L406 VanDerWaalsContact O-N 3.14Å; V403-E407 HydrophobicContact CG1-CG 4.31Å; V403-E407 WeakPolarHBondContact CG1-OE1 3.43Å; V403-E407 WeakPolarHBondContact O-CG 3.48Å; V403-E407 PolarHBondContact O-N 2.98Å; V403-V439 HydrophobicContact CG1-CG1 3.99Å; V403-V439 HydrophobicContact CG2-CG1 3.89Å; V403-V440 HydrophobicContact CG2-CB 4.43Å; V403-V440 HydrophobicContact CG2-CG2 3.86Å; V403-A443 HydrophobicContact CG1-CB 4.24Å; V403-A443 HydrophobicContact CG2-CB 4.38Å
404	R	92.3	Very high	92.8	Very high	61 Å²	61	50.3 Å²	50.3	23%	0.23	27%	0.269	C	S	.	.	H	α-helix	trans	-62.5	-41.8	-178.7	-161	76.1	-177.6	108.4	9.7	113.4	V364 L367 A400 T401 R402 L406 E407 H408	V364-R404 HydrophobicContact CG2-CB 3.57Å; V364-R404 HydrophobicContact CG2-CG 3.75Å; L367-R404 HydrophobicContact CD2-CB 4.47Å; L367-R404 HydrophobicContact CD2-CG 4Å; A400-R404 WeakPolarHBondContact O-CB 3.45Å; A400-R404 PolarHBondContact O-N 3.3Å; T401-R404 PolarHBondContact O-N 3.37Å; R402-R404 VanDerWaalsContact C-N 3.33Å; R402-R404 PolarHBondContact O-N 2.87Å; R404-L406 VanDerWaalsContact C-N 3.29Å; R404-L406 PolarHBondContact O-N 3.07Å; R404-E407 IonicContact CZ-OE2 2.82Å; R404-E407 IonicContact NH1-OE2 3.74Å; R404-E407 PolarHBondContact NH1-OE2 2.96Å; R404-E407 PolarHBondContact O-N 2.66Å; R404-H408 PolarHBondContact NH1-CD2 2.78Å; R404-H408 PolarHBondContact NH1-NE2 3.44Å; R404-H408 PolarHBondContact NH2-CD2 2.73Å; R404-H408 VanDerWaalsContact NH2-CD2 3.31Å; R404-H408 PolarHBondContact NH2-NE2 3.08Å; R404-H408 PolarHBondContact O-N 3.01Å; R404-H408 VanDerWaalsContact O-N 3.15Å
405	L	94.7	Very high	92.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.9	-40.4	175.1	-80.1	174.2	0	0	0	112	L367 L390 L393 F394 T401 R402 V403 L409 F412	L367-L405 HydrophobicContact CD1-CD2 4.25Å; L367-L405 HydrophobicContact CD2-CD2 3.89Å; L367-L405 HydrophobicContact CD2-CG 4.38Å; L390-L405 HydrophobicContact CD2-CD2 4.17Å; L393-L405 VanDerWaalsContact C-CD1 3.46Å; L393-L405 HydrophobicContact CB-CD1 3.67Å; L393-L405 HydrophobicContact CB-CD2 4.17Å; L393-L405 HydrophobicContact CB-CG 4.29Å; L393-L405 HydrophobicContact CD1-CD2 4.3Å; F394-L405 HydrophobicContact CB-CD1 4.5Å; F394-L405 HydrophobicContact CD1-CD1 3.87Å; F394-L405 HydrophobicContact CD2-CD1 4.39Å; F394-L405 HydrophobicContact CE1-CB 4.16Å; F394-L405 HydrophobicContact CE1-CD1 4.13Å; F394-L405 HydrophobicContact CG-CD1 4Å; F394-L405 HydrophobicContact CZ-CB 4.41Å; F394-L405 HydrophobicContact CZ-CD1 4.49Å; T401-L405 HydrophobicContact CG2-CD1 4.28Å; T401-L405 WeakPolarHBondContact O-CB 3.46Å; T401-L405 WeakPolarHBondContact O-CG 3.44Å; T401-L405 PolarHBondContact O-N 3.09Å; R402-L405 PolarHBondContact O-N 2.98Å; V403-L405 PolarHBondContact O-N 3.48Å; L405-L409 PolarHBondContact O-N 3.07Å; L405-F412 HydrophobicContact CD2-CZ 4.41Å
406	L	96.3	Very high	92.8	Very high	11 Å²	11	47.7 Å²	47.7	6%	0.058	25%	0.247	C	C	.	.	H	α-helix	trans	-73.3	-37.6	-178.5	-67.8	169.6	0	0	0	111.8	R402 V403 R404 H408 L409 V429 A443 A447	R402-L406 WeakPolarHBondContact O-CB 3.4Å; R402-L406 WeakPolarHBondContact O-CD1 3.44Å; R402-L406 WeakPolarHBondContact O-CG 3.31Å; R402-L406 PolarHBondContact O-N 2.71Å; R402-L406 VanDerWaalsContact O-N 3.07Å; V403-L406 PolarHBondContact O-N 3.47Å; V403-L406 VanDerWaalsContact O-N 3.14Å; R404-L406 VanDerWaalsContact C-N 3.29Å; R404-L406 PolarHBondContact O-N 3.07Å; L406-H408 VanDerWaalsContact C-N 3.33Å; L406-L409 WeakPolarHBondContact O-CB 3.35Å; L406-L409 PolarHBondContact O-N 3.25Å; L406-V429 HydrophobicContact CD2-CG1 3.88Å; L406-V429 HydrophobicContact CD2-CG2 4.1Å; L406-A443 HydrophobicContact CB-CB 4.05Å; L406-A443 HydrophobicContact CD1-CB 4.03Å; L406-A447 HydrophobicContact CB-CB 3.93Å; L406-A447 HydrophobicContact CD2-CB 3.54Å; L406-A447 HydrophobicContact CG-CB 4.28Å
407	E	94.5	Very high	92.9	Very high	105 Å²	105	51.5 Å²	51.5	49%	0.491	26%	0.261	S	S	.	.	H	α-helix	trans	-60.3	-42.7	173.3	-75.6	174.3	173.9	0	0	112.1	V403 R404 P410	V403-E407 HydrophobicContact CG1-CG 4.31Å; V403-E407 WeakPolarHBondContact CG1-OE1 3.43Å; V403-E407 WeakPolarHBondContact O-CG 3.48Å; V403-E407 PolarHBondContact O-N 2.98Å; R404-E407 IonicContact CZ-OE2 2.82Å; R404-E407 IonicContact NH1-OE2 3.74Å; R404-E407 PolarHBondContact NH1-OE2 2.96Å; R404-E407 PolarHBondContact O-N 2.66Å; E407-P410 WeakPolarHBondContact O-CD 3.17Å
408	H	94.8	Very high	93.1	Very high	26 Å²	26	49.5 Å²	49.5	12%	0.12	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	5.6	-179.2	-82.3	-61.8	0	0	0	114.9	L371 R404 L406 P410 D411 F412	L371-H408 HydrophobicContact CD1-CB 3.4Å; R404-H408 PolarHBondContact NH1-CD2 2.78Å; R404-H408 PolarHBondContact NH1-NE2 3.44Å; R404-H408 PolarHBondContact NH2-CD2 2.73Å; R404-H408 VanDerWaalsContact NH2-CD2 3.31Å; R404-H408 PolarHBondContact NH2-NE2 3.08Å; R404-H408 PolarHBondContact O-N 3.01Å; R404-H408 VanDerWaalsContact O-N 3.15Å; L406-H408 VanDerWaalsContact C-N 3.33Å; H408-P410 VanDerWaalsContact C-N 3.25Å; H408-D411 IonicContact CE1-OD2 3.3Å; H408-D411 IonicContact CG-OD2 2.68Å; H408-D411 IonicContact ND1-OD2 3.07Å; H408-D411 PolarHBondContact ND1-OD2 2.99Å; H408-D411 WeakPolarHBondContact O-CB 3.44Å; H408-D411 PolarHBondContact O-N 3.36Å; H408-F412 HydrophobicContact CB-CE1 4.44Å; H408-F412 WeakPolarHBondContact O-CD1 3.46Å; H408-F412 WeakPolarHBondContact O-CE1 3.48Å
409	L	95.5	Very high	93.1	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-50.2	-40.4	176.4	-173.5	64.6	0	0	0	113.3	F394 L405 L406 D411 F412 V413 L416 A447 H450 L451	F394-L409 HydrophobicContact CZ-CD1 4.24Å; L405-L409 PolarHBondContact O-N 3.07Å; L406-L409 WeakPolarHBondContact O-CB 3.35Å; L406-L409 PolarHBondContact O-N 3.25Å; L409-D411 PolarHBondContact O-N 3.32Å; L409-F412 HydrophobicContact CD1-CE2 3.75Å; L409-F412 HydrophobicContact CD1-CZ 3.76Å; L409-F412 PolarHBondContact O-N 3.1Å; L409-V413 HydrophobicContact CD1-CB 4.27Å; L409-V413 HydrophobicContact CD1-CG2 4.5Å; L409-V413 HydrophobicContact CG-CB 4.22Å; L409-V413 WeakPolarHBondContact O-CB 3.45Å; L409-V413 PolarHBondContact O-N 2.89Å; L409-L416 HydrophobicContact CD1-CD1 4.34Å; L409-A447 HydrophobicContact CD2-CB 3.84Å; L409-H450 HydrophobicContact CD2-CB 4.35Å; L409-L451 HydrophobicContact CD2-CB 4.17Å; L409-L451 HydrophobicContact CD2-CD1 4.39Å
410	P	93.7	Very high	93.1	Very high	46 Å²	46	47.4 Å²	47.4	30%	0.299	24%	0.241	S	C	.	.	H	α-helix	trans	-56	-34.9	178.5	-24.4	34.8	0	0	0	113.8	E407 H408 F412	E407-P410 WeakPolarHBondContact O-CD 3.17Å; H408-P410 VanDerWaalsContact C-N 3.25Å; P410-F412 VanDerWaalsContact C-N 3.29Å; P410-F412 PolarHBondContact O-N 3.38Å
411	D	91.5	Very high	93.3	Very high	75 Å²	75	44.7 Å²	44.7	40%	0.401	22%	0.219	S	C	.	.	H	α-helix	trans	-72	-22.8	-172.9	-59.9	-27.9	0	0	0	112.9	L371 H408 L409	L371-D411 HydrophobicContact CD1-CB 4.44Å; H408-D411 IonicContact CE1-OD2 3.3Å; H408-D411 IonicContact CG-OD2 2.68Å; H408-D411 IonicContact ND1-OD2 3.07Å; H408-D411 PolarHBondContact ND1-OD2 2.99Å; H408-D411 WeakPolarHBondContact O-CB 3.44Å; H408-D411 PolarHBondContact O-N 3.36Å; L409-D411 PolarHBondContact O-N 3.32Å
412	F	93.9	Very high	93.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-128.7	-7.4	-176.8	66.3	-91.8	0	0	0	114.9	L371 I374 L390 F394 L405 H408 L409 P410 Q414 H415 L416	L371-F412 HydrophobicContact CD1-CD1 4.2Å; L371-F412 HydrophobicContact CD2-CB 3.98Å; L371-F412 HydrophobicContact CD2-CD1 3.51Å; L371-F412 HydrophobicContact CD2-CE1 4.3Å; L371-F412 HydrophobicContact CD2-CG 4.03Å; I374-F412 HydrophobicContact CD1-CB 3.78Å; L390-F412 HydrophobicContact CD1-CD2 3.84Å; L390-F412 HydrophobicContact CD1-CE2 4.14Å; L390-F412 HydrophobicContact CD1-CG 4.27Å; F394-F412 AromaticContact CE2-CE2 3.93Å; F394-F412 HydrophobicContact CE2-CE2 3.93Å; F394-F412 HydrophobicContact CE2-CZ 4.15Å; F394-F412 AromaticContact CZ-CE2 3.99Å; F394-F412 HydrophobicContact CZ-CE2 3.99Å; F394-F412 AromaticContact CZ-CZ 3.89Å; F394-F412 HydrophobicContact CZ-CZ 3.89Å; L405-F412 HydrophobicContact CD2-CZ 4.41Å; H408-F412 HydrophobicContact CB-CE1 4.44Å; H408-F412 WeakPolarHBondContact O-CD1 3.46Å; H408-F412 WeakPolarHBondContact O-CE1 3.48Å; L409-F412 HydrophobicContact CD1-CE2 3.75Å; L409-F412 HydrophobicContact CD1-CZ 3.76Å; L409-F412 PolarHBondContact O-N 3.1Å; P410-F412 VanDerWaalsContact C-N 3.29Å; P410-F412 PolarHBondContact O-N 3.38Å; F412-Q414 PolarHBondContact O-N 3.19Å; F412-Q414 VanDerWaalsContact O-N 3.12Å; F412-H415 PolarHBondContact O-N 3.49Å; F412-H415 VanDerWaalsContact O-N 3.09Å; F412-L416 HydrophobicContact CD2-CD1 4.01Å; F412-L416 HydrophobicContact CD2-CD2 4.19Å; F412-L416 HydrophobicContact CD2-CG 4.15Å; F412-L416 HydrophobicContact CE2-CD1 3.96Å
413	V	93.9	Very high	93.2	Very high	18 Å²	18	50.1 Å²	50.1	11%	0.109	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-56.1	-33.7	-177.8	66.3	0	0	0	0	112.2	L409 H415 L416 H450 L451 K454	L409-V413 HydrophobicContact CD1-CB 4.27Å; L409-V413 HydrophobicContact CD1-CG2 4.5Å; L409-V413 HydrophobicContact CG-CB 4.22Å; L409-V413 WeakPolarHBondContact O-CB 3.45Å; L409-V413 PolarHBondContact O-N 2.89Å; V413-H415 VanDerWaalsContact C-N 3.29Å; V413-H415 PolarHBondContact O-N 3.31Å; V413-L416 WeakPolarHBondContact O-CB 3.27Å; V413-L416 PolarHBondContact O-N 3.2Å; V413-L416 VanDerWaalsContact O-N 3.14Å; V413-H450 HydrophobicContact CG1-CB 4.41Å; V413-L451 HydrophobicContact CG2-CD1 4.47Å; V413-K454 HydrophobicContact CG2-CD 4.34Å; V413-K454 WeakPolarHBondContact O-CE 3.28Å; V413-K454 PolarHBondContact O-NZ 3.02Å
414	Q	91.6	Very high	93.2	Very high	132 Å²	132	54 Å²	54	62%	0.617	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-61.2	-35.4	-179.3	70	-176.7	20.2	0	0	113	F412 L416 K454	F412-Q414 PolarHBondContact O-N 3.19Å; F412-Q414 VanDerWaalsContact O-N 3.12Å; Q414-L416 VanDerWaalsContact C-N 3.3Å; Q414-L416 PolarHBondContact O-N 3.26Å; Q414-K454 PolarHBondContact O-NZ 3.46Å
415	H	91.8	Very high	93.3	Very high	36 Å²	36	51.2 Å²	51.2	17%	0.167	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-80.7	-8.3	-179.9	-50.3	99.6	0	0	0	113.3	I374 D379 F382 Q383 F412 V413	I374-H415 WeakPolarHBondContact CG2-CE1 3.16Å; D379-H415 IonicContact OD1-CD2 2.99Å; F382-H415 HydrophobicContact CD1-CB 3.73Å; F382-H415 HydrophobicContact CD2-CB 4.35Å; F382-H415 HydrophobicContact CE1-CB 3.5Å; F382-H415 HydrophobicContact CE2-CB 4.15Å; F382-H415 HydrophobicContact CG-CB 4.16Å; F382-H415 HydrophobicContact CZ-CB 3.73Å; Q383-H415 PolarHBondContact NE2-O 2.89Å; Q383-H415 VanDerWaalsContact NE2-O 3.17Å; F412-H415 PolarHBondContact O-N 3.49Å; F412-H415 VanDerWaalsContact O-N 3.09Å; V413-H415 VanDerWaalsContact C-N 3.29Å; V413-H415 PolarHBondContact O-N 3.31Å
416	L	93.3	Very high	93.4	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.021	26%	0.26	C	S	.	.	S	Bend	trans	-81.2	128.7	178.4	-58.7	-179.9	0	0	0	111.6	F382 L387 L409 F412 V413 Q414 I421 I425 K454	F382-L416 HydrophobicContact CE1-CD2 4.45Å; F382-L416 HydrophobicContact CZ-CD2 4.36Å; L387-L416 HydrophobicContact CD1-CD2 3.68Å; L409-L416 HydrophobicContact CD1-CD1 4.34Å; F412-L416 HydrophobicContact CD2-CD1 4.01Å; F412-L416 HydrophobicContact CD2-CD2 4.19Å; F412-L416 HydrophobicContact CD2-CG 4.15Å; F412-L416 HydrophobicContact CE2-CD1 3.96Å; V413-L416 WeakPolarHBondContact O-CB 3.27Å; V413-L416 PolarHBondContact O-N 3.2Å; V413-L416 VanDerWaalsContact O-N 3.14Å; Q414-L416 VanDerWaalsContact C-N 3.3Å; Q414-L416 PolarHBondContact O-N 3.26Å; L416-I421 HydrophobicContact CB-CD1 3.81Å; L416-I421 HydrophobicContact CB-CG1 3.89Å; L416-I421 HydrophobicContact CD1-CG1 4.27Å; L416-I425 HydrophobicContact CD1-CD1 3.74Å; L416-I425 HydrophobicContact CD2-CD1 4.16Å; L416-I425 HydrophobicContact CG-CD1 4.46Å; L416-K454 PolarHBondContact O-NZ 3.25Å
417	Q	92.2	Very high	93.3	Very high	113 Å²	113	53.1 Å²	53.1	53%	0.528	28%	0.276	S	S	.	.			trans	-76.4	138.7	174.2	-62.8	178.1	-9.8	0	0	111.1	K419 C420 I421	Q417-K419 VanDerWaalsContact C-N 3.33Å; Q417-K419 PolarHBondContact O-N 3.07Å; Q417-C420 HydrophobicContact CB-CB 4.27Å; Q417-C420 VanDerWaalsContact O-CB 3.31Å; Q417-C420 WeakPolarHBondContact O-CB 3.32Å; Q417-C420 PolarHBondContact O-N 2.79Å; Q417-I421 PolarHBondContact O-N 3.49Å
418	T	91.4	Very high	93.2	Very high	71 Å²	71	50 Å²	50	44%	0.436	27%	0.265	S	S	.	.	H	α-helix	trans	-52.2	-46.2	-179.3	-59.9	0	0	0	0	113.2	C420 I421 E422 K454	T418-C420 VanDerWaalsContact C-N 3.3Å; T418-C420 PolarHBondContact O-N 2.92Å; T418-I421 WeakPolarHBondContact O-CB 3.29Å; T418-I421 PolarHBondContact O-N 3.26Å; T418-I421 VanDerWaalsContact O-N 3.16Å; T418-E422 WeakPolarHBondContact O-CG 3.48Å; T418-E422 PolarHBondContact O-N 3.24Å; T418-E422 VanDerWaalsContact O-N 3.09Å; T418-K454 WeakPolarHBondContact CG2-O 3.47Å
419	K	91.3	Very high	93.3	Very high	161 Å²	161	49.1 Å²	49.1	70%	0.7	26%	0.262	S	S	*	.	H	α-helix	trans	-59.1	-41.8	178	-174.1	178.8	-179.9	-177.9	0	112.1	Q417 T423	Q417-K419 VanDerWaalsContact C-N 3.33Å; Q417-K419 PolarHBondContact O-N 3.07Å; K419-T423 WeakPolarHBondContact O-CB 3.19Å; K419-T423 WeakPolarHBondContact O-CG2 3.48Å; K419-T423 PolarHBondContact O-N 3.32Å; K419-T423 PolarHBondContact O-OG1 3.31Å
420	C	93.1	Very high	93.2	Very high	12 Å²	12	49.7 Å²	49.7	8%	0.081	27%	0.266	C	S	.	.	H	α-helix	trans	-65	-41.6	178	-173.8	0	0	0	0	111.3	Q417 T418 E422 Q424 I425	Q417-C420 HydrophobicContact CB-CB 4.27Å; Q417-C420 VanDerWaalsContact O-CB 3.31Å; Q417-C420 WeakPolarHBondContact O-CB 3.32Å; Q417-C420 PolarHBondContact O-N 2.79Å; T418-C420 VanDerWaalsContact C-N 3.3Å; T418-C420 PolarHBondContact O-N 2.92Å; C420-E422 PolarHBondContact O-N 3.1Å; C420-Q424 PolarHBondContact O-N 3.04Å; C420-I425 PolarHBondContact O-N 3.28Å
421	I	93.5	Very high	93.3	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.272	C	S	.	.	I	π-helix	trans	-58	-52.1	176.8	-68.6	166.2	0	0	0	111.1	L416 Q417 T418 T423 I425 F426 L451 K454 L455	L416-I421 HydrophobicContact CB-CD1 3.81Å; L416-I421 HydrophobicContact CB-CG1 3.89Å; L416-I421 HydrophobicContact CD1-CG1 4.27Å; Q417-I421 PolarHBondContact O-N 3.49Å; T418-I421 WeakPolarHBondContact O-CB 3.29Å; T418-I421 PolarHBondContact O-N 3.26Å; T418-I421 VanDerWaalsContact O-N 3.16Å; I421-T423 PolarHBondContact O-N 2.93Å; I421-I425 HydrophobicContact CG1-CD1 4.18Å; I421-I425 CarbonylContact O-C 3.49Å; I421-I425 PolarHBondContact O-N 2.77Å; I421-I425 VanDerWaalsContact O-N 3.1Å; I421-F426 WeakPolarHBondContact O-CB 3.44Å; I421-F426 PolarHBondContact O-N 3.47Å; I421-L451 HydrophobicContact CD1-CD1 4.1Å; I421-L451 HydrophobicContact CG1-CD1 4.22Å; I421-L451 HydrophobicContact CG2-CD1 3.63Å; I421-L451 HydrophobicContact CG2-CD2 4.24Å; I421-L451 HydrophobicContact CG2-CG 3.98Å; I421-K454 HydrophobicContact CD1-CB 3.59Å; I421-K454 HydrophobicContact CD1-CD 3.46Å; I421-K454 VanDerWaalsContact CD1-CD 3.46Å; I421-K454 HydrophobicContact CD1-CG 4.15Å; I421-L455 HydrophobicContact CG2-CD2 3.56Å
422	E	91.7	Very high	93.5	Very high	67 Å²	67	46.5 Å²	46.5	31%	0.313	25%	0.254	S	S	.	.	I	π-helix	trans	-66.5	-38.5	-175.2	-65.5	-174.5	150.1	0	0	113	T418 C420 S456 L459	T418-E422 WeakPolarHBondContact O-CG 3.48Å; T418-E422 PolarHBondContact O-N 3.24Å; T418-E422 VanDerWaalsContact O-N 3.09Å; C420-E422 PolarHBondContact O-N 3.1Å; E422-S456 WeakPolarHBondContact OE1-CA 3.36Å; E422-S456 WeakPolarHBondContact OE1-CB 3.44Å; E422-S456 PolarHBondContact OE1-N 3.12Å; E422-S456 PolarHBondContact OE1-OG 3.48Å; E422-L459 HydrophobicContact CG-CD2 4.3Å
423	T	92	Very high	93.6	Very high	97 Å²	97	46.8 Å²	46.8	60%	0.595	26%	0.255	S	S	*	.	I	π-helix	trans	-85.6	-35.8	-172.6	52.2	0	0	0	0	114	K419 I421	K419-T423 WeakPolarHBondContact O-CB 3.19Å; K419-T423 WeakPolarHBondContact O-CG2 3.48Å; K419-T423 PolarHBondContact O-N 3.32Å; K419-T423 PolarHBondContact O-OG1 3.31Å; I421-T423 PolarHBondContact O-N 2.93Å
424	Q	94.1	Very high	93.7	Very high	99 Å²	99	51 Å²	51	46%	0.463	28%	0.281	S	S	.	.	I	π-helix	trans	-121.9	-23.4	-170.3	-62.7	-170	98.6	0	0	114.1	L391 C420 P428	L391-Q424 HydrophobicContact CD2-CB 4Å; C420-Q424 PolarHBondContact O-N 3.04Å; Q424-P428 WeakPolarHBondContact O-CD 3.39Å; Q424-P428 WeakPolarHBondContact O-CG 3.38Å
425	I	95.7	Very high	93.9	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	26%	0.257	C	S	.	.	I	π-helix	trans	-103.6	-45.8	-173.8	-58.4	178.7	0	0	0	111.6	L391 F394 L416 C420 I421 G427 P428 V429	L391-I425 HydrophobicContact CD2-CD1 4Å; L391-I425 HydrophobicContact CD2-CG1 3.72Å; F394-I425 HydrophobicContact CD1-CG2 4.02Å; F394-I425 HydrophobicContact CD2-CD1 4.3Å; F394-I425 HydrophobicContact CD2-CG1 4.11Å; F394-I425 HydrophobicContact CD2-CG2 4.22Å; F394-I425 HydrophobicContact CE1-CG2 3.89Å; F394-I425 HydrophobicContact CE2-CD1 4.13Å; F394-I425 HydrophobicContact CE2-CG1 4.37Å; F394-I425 HydrophobicContact CE2-CG2 4.1Å; F394-I425 HydrophobicContact CG-CG2 4.19Å; F394-I425 HydrophobicContact CZ-CG2 3.94Å; L416-I425 HydrophobicContact CD1-CD1 3.74Å; L416-I425 HydrophobicContact CD2-CD1 4.16Å; L416-I425 HydrophobicContact CG-CD1 4.46Å; C420-I425 PolarHBondContact O-N 3.28Å; I421-I425 HydrophobicContact CG1-CD1 4.18Å; I421-I425 CarbonylContact O-C 3.49Å; I421-I425 PolarHBondContact O-N 2.77Å; I421-I425 VanDerWaalsContact O-N 3.1Å; I425-G427 VanDerWaalsContact C-N 3.34Å; I425-G427 PolarHBondContact O-N 3.03Å; I425-P428 WeakPolarHBondContact O-CD 3.31Å; I425-V429 HydrophobicContact CG2-CG2 3.85Å; I425-V429 WeakPolarHBondContact O-CB 3.23Å; I425-V429 VanDerWaalsContact O-CG2 3.24Å; I425-V429 WeakPolarHBondContact O-CG2 3.37Å; I425-V429 PolarHBondContact O-N 3.21Å
426	F	95.3	Very high	94	Very high	12 Å²	12	49 Å²	49	5%	0.053	28%	0.28	C	S	.	.	H	α-helix	trans	-63.2	-39.6	-173.1	-177.7	-93.5	0	0	0	112.4	I421 V429 S430 L451 L455 L459 N463	I421-F426 WeakPolarHBondContact O-CB 3.44Å; I421-F426 PolarHBondContact O-N 3.47Å; F426-V429 PolarHBondContact O-N 3.1Å; F426-S430 VanDerWaalsContact O-CB 3.23Å; F426-S430 WeakPolarHBondContact O-CB 3.5Å; F426-S430 PolarHBondContact O-N 3.3Å; F426-S430 PolarHBondContact O-OG 2.78Å; F426-L451 HydrophobicContact CD2-CD2 4.38Å; F426-L455 HydrophobicContact CD2-CD1 3.76Å; F426-L455 HydrophobicContact CD2-CD2 3.85Å; F426-L455 HydrophobicContact CD2-CG 4.49Å; F426-L455 HydrophobicContact CE2-CD1 3.61Å; F426-L459 HydrophobicContact CB-CD2 4.16Å; F426-L459 HydrophobicContact CD1-CD1 3.59Å; F426-L459 HydrophobicContact CD1-CD2 3.71Å; F426-L459 HydrophobicContact CD1-CG 3.93Å; F426-L459 HydrophobicContact CD2-CD2 3.77Å; F426-L459 HydrophobicContact CD2-CG 4.21Å; F426-L459 HydrophobicContact CE1-CD1 3.24Å; F426-L459 HydrophobicContact CE1-CD2 4Å; F426-L459 HydrophobicContact CE1-CG 3.68Å; F426-L459 HydrophobicContact CE2-CD1 4.44Å; F426-L459 HydrophobicContact CE2-CD2 4.04Å; F426-L459 HydrophobicContact CE2-CG 3.96Å; F426-L459 HydrophobicContact CG-CD1 4.34Å; F426-L459 HydrophobicContact CG-CD2 3.59Å; F426-L459 HydrophobicContact CG-CG 4.19Å; F426-L459 HydrophobicContact CZ-CD1 3.72Å; F426-L459 HydrophobicContact CZ-CD2 4.15Å; F426-L459 HydrophobicContact CZ-CG 3.68Å; F426-N463 HydrophobicContact CZ-CB 4.46Å
427	G	93.8	Very high	94.2	Very high	39 Å²	39	53.2 Å²	53.2	40%	0.402	30%	0.299	S	S	.	.	H	α-helix	trans	-54.1	-62.3	176.4	0	0	0	0	0	112	I425 V429 S430 A431	I425-G427 VanDerWaalsContact C-N 3.34Å; I425-G427 PolarHBondContact O-N 3.03Å; G427-V429 VanDerWaalsContact C-N 3.33Å; G427-V429 PolarHBondContact O-N 3.04Å; G427-S430 PolarHBondContact O-N 3.28Å; G427-S430 PolarHBondContact O-OG 3.29Å; G427-A431 PolarHBondContact O-N 3.44Å
428	P	94.3	Very high	94.4	Very high	40 Å²	40	49.4 Å²	49.4	26%	0.26	28%	0.284	S	S	.	.	H	α-helix	trans	-57.8	-39.4	176.9	-26.5	33.5	0	0	0	114.5	F394 Q424 I425 A431	F394-P428 WeakPolarHBondContact O-CB 3.46Å; Q424-P428 WeakPolarHBondContact O-CD 3.39Å; Q424-P428 WeakPolarHBondContact O-CG 3.38Å; I425-P428 WeakPolarHBondContact O-CD 3.31Å; P428-A431 PolarHBondContact O-N 3.19Å
429	V	95.9	Very high	94.7	Very high	7 Å²	7	48.9 Å²	48.9	4%	0.042	28%	0.281	C	S	.	.	H	α-helix	trans	-66.6	-39.3	177.6	175.5	0	0	0	0	111.4	F394 L406 I425 F426 G427 A431 G432 T444 M448	F394-V429 HydrophobicContact CD1-CG2 3.85Å; F394-V429 HydrophobicContact CE1-CG2 3.81Å; L406-V429 HydrophobicContact CD2-CG1 3.88Å; L406-V429 HydrophobicContact CD2-CG2 4.1Å; I425-V429 HydrophobicContact CG2-CG2 3.85Å; I425-V429 WeakPolarHBondContact O-CB 3.23Å; I425-V429 VanDerWaalsContact O-CG2 3.24Å; I425-V429 WeakPolarHBondContact O-CG2 3.37Å; I425-V429 PolarHBondContact O-N 3.21Å; F426-V429 PolarHBondContact O-N 3.1Å; G427-V429 VanDerWaalsContact C-N 3.33Å; G427-V429 PolarHBondContact O-N 3.04Å; V429-A431 VanDerWaalsContact C-N 3.27Å; V429-A431 PolarHBondContact O-N 2.84Å; V429-G432 WeakPolarHBondContact O-CA 3.36Å; V429-G432 PolarHBondContact O-N 3.15Å; V429-T444 HydrophobicContact CG1-CG2 4.09Å; V429-T444 VanDerWaalsContact O-CG2 3.27Å; V429-T444 WeakPolarHBondContact O-CG2 3.32Å; V429-M448 HydrophobicContact CG1-CE 3.31Å
430	S	94.2	Very high	95	Very high	14 Å²	14	41.3 Å²	41.3	10%	0.098	25%	0.248	C	C	.	.	H	α-helix	trans	-64.7	-30.3	-179.5	72.6	0	0	0	0	113.1	F426 G427 G432 F433	F426-S430 VanDerWaalsContact O-CB 3.23Å; F426-S430 WeakPolarHBondContact O-CB 3.5Å; F426-S430 PolarHBondContact O-N 3.3Å; F426-S430 PolarHBondContact O-OG 2.78Å; G427-S430 PolarHBondContact O-N 3.28Å; G427-S430 PolarHBondContact O-OG 3.29Å; S430-G432 PolarHBondContact O-N 3.17Å; S430-F433 WeakPolarHBondContact O-CD2 3.21Å; S430-F433 PolarHBondContact O-N 2.71Å
431	A	94.2	Very high	95.2	Very high	52 Å²	52	42.1 Å²	42.1	43%	0.43	25%	0.249	S	C	.	.	H	α-helix	trans	-61.8	-24.6	172.7	0	0	0	0	0	112.5	G427 P428 V429 F433 T434 D435	G427-A431 PolarHBondContact O-N 3.44Å; P428-A431 PolarHBondContact O-N 3.19Å; V429-A431 VanDerWaalsContact C-N 3.27Å; V429-A431 PolarHBondContact O-N 2.84Å; A431-F433 VanDerWaalsContact C-N 3.28Å; A431-F433 PolarHBondContact O-N 3.07Å; A431-T434 PolarHBondContact O-N 3.31Å; A431-T434 PolarHBondContact O-OG1 2.95Å; A431-D435 PolarHBondContact O-N 3.16Å
432	G	95.6	Very high	95.4	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.01	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-64.5	-25.7	176.3	0	0	0	0	0	114.2	V429 S430 T434 D435 R441 T444	V429-G432 WeakPolarHBondContact O-CA 3.36Å; V429-G432 PolarHBondContact O-N 3.15Å; S430-G432 PolarHBondContact O-N 3.17Å; G432-T434 PolarHBondContact O-N 3.47Å; G432-D435 PolarHBondContact O-N 2.92Å; G432-R441 WeakPolarHBondContact O-CA 3.39Å; G432-R441 WeakPolarHBondContact O-CG 3.34Å; G432-T444 WeakPolarHBondContact CA-OG1 3.24Å
433	F	97	Very high	95.7	Very high	7 Å²	7	41.2 Å²	41.2	3%	0.031	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-65.9	-26.5	176.8	-75	-70.3	0	0	0	113.5	S430 A431 R441 T444 V445 M448 L464 Y467 I468 L471	S430-F433 WeakPolarHBondContact O-CD2 3.21Å; S430-F433 PolarHBondContact O-N 2.71Å; A431-F433 VanDerWaalsContact C-N 3.28Å; A431-F433 PolarHBondContact O-N 3.07Å; F433-R441 VanDerWaalsContact O-CD 3.29Å; F433-R441 WeakPolarHBondContact O-CD 3.08Å; F433-T444 HydrophobicContact CD1-CG2 4.02Å; F433-T444 HydrophobicContact CD2-CG2 3.86Å; F433-T444 HydrophobicContact CE1-CG2 4.07Å; F433-T444 HydrophobicContact CE2-CG2 3.89Å; F433-T444 HydrophobicContact CG-CG2 3.93Å; F433-T444 HydrophobicContact CZ-CG2 4.02Å; F433-V445 HydrophobicContact CE1-CB 4.19Å; F433-V445 HydrophobicContact CE1-CG2 4.46Å; F433-M448 HydrophobicContact CE1-CG 4.41Å; F433-M448 HydrophobicContact CE2-CG 4.34Å; F433-M448 HydrophobicContact CE2-SD 4.27Å; F433-M448 HydrophobicContact CZ-CG 3.59Å; F433-M448 HydrophobicContact CZ-SD 4.08Å; F433-L464 HydrophobicContact CE2-CD1 4.08Å; F433-L464 HydrophobicContact CZ-CD1 3.77Å; F433-Y467 HydrophobicContact CB-CD1 4.16Å; F433-Y467 HydrophobicContact CB-CG 4.35Å; F433-Y467 HydrophobicContact CD2-CD1 4.24Å; F433-Y467 AromaticContact CD2-CD2 4Å; F433-Y467 HydrophobicContact CD2-CD2 4Å; F433-Y467 AromaticContact CD2-CG 3.7Å; F433-Y467 HydrophobicContact CD2-CG 3.7Å; F433-Y467 HydrophobicContact CE2-CD2 4.17Å; F433-Y467 HydrophobicContact CE2-CG 4.15Å; F433-Y467 HydrophobicContact CG-CD1 4.43Å; F433-Y467 HydrophobicContact CG-CG 4.12Å; F433-I468 HydrophobicContact CE1-CG1 4.03Å; F433-I468 HydrophobicContact CZ-CG1 4.14Å; F433-L471 HydrophobicContact CD1-CD2 4.28Å
434	T	95	Very high	96	Very high	107 Å²	107	36.7 Å²	36.7	66%	0.656	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-110.2	13.5	-177.2	54.9	0	0	0	0	112.1	A431 G432	A431-T434 PolarHBondContact O-N 3.31Å; A431-T434 PolarHBondContact O-OG1 2.95Å; G432-T434 PolarHBondContact O-N 3.47Å
435	D	95.8	Very high	96.1	Very high	20 Å²	20	32 Å²	32	11%	0.107	20%	0.197	C	C	.	.			trans	-65.4	142.8	179.6	-160.2	-72.5	0	0	0	111.2	R399 R402 A431 G432 H437 V440 R441	R399-D435 IonicContact NE-OD1 2.78Å; R399-D435 PolarHBondContact NE-OD1 3.26Å; R402-D435 IonicContact CZ-OD2 2.63Å; R402-D435 VanDerWaalsContact CZ-OD2 3.23Å; R402-D435 IonicContact NH1-OD2 3.7Å; R402-D435 PolarHBondContact NH1-OD2 2.78Å; R402-D435 IonicContact NH2-OD2 3.66Å; R402-D435 PolarHBondContact NH2-OD2 2.81Å; A431-D435 PolarHBondContact O-N 3.16Å; G432-D435 PolarHBondContact O-N 2.92Å; D435-H437 VanDerWaalsContact C-N 3.26Å; D435-H437 PolarHBondContact O-N 2.83Å; D435-H437 PolarHBondContact OD1-N 2.89Å; D435-V440 HydrophobicContact CB-CB 3.85Å; D435-V440 HydrophobicContact CB-CG1 3.7Å; D435-R441 HydrophobicContact CB-CG 4.22Å; D435-R441 WeakPolarHBondContact O-CD 3.5Å; D435-R441 VanDerWaalsContact O-CG 3.28Å; D435-R441 WeakPolarHBondContact O-CG 3.34Å; D435-R441 PolarHBondContact O-NH1 3.36Å
436	T	95.4	Very high	96.2	Very high	106 Å²	106	36.4 Å²	36.4	65%	0.65	21%	0.214	S	C	*	.	S	Bend	trans	-53.8	-39.5	172.4	49.7	0	0	0	0	113.6	R399 R441	R399-T436 PolarHBondContact NH2-OG1 3.12Å; T436-R441 PolarHBondContact O-NH1 3.41Å
437	H	96.8	Very high	96.3	Very high	91 Å²	91	36 Å²	36	42%	0.421	21%	0.212	S	C	.	.	S	Bend	trans	-89.2	125.7	-171.1	-155.8	-85.2	0	0	0	111.2	D435 V439 V440	D435-H437 VanDerWaalsContact C-N 3.26Å; D435-H437 PolarHBondContact O-N 2.83Å; D435-H437 PolarHBondContact OD1-N 2.89Å; H437-V439 VanDerWaalsContact C-N 3.33Å; H437-V439 PolarHBondContact O-N 2.83Å; H437-V440 HydrophobicContact CB-CG2 4.29Å; H437-V440 PolarHBondContact O-N 2.98Å
438	P	97.1	Very high	96.4	Very high	33 Å²	33	34.1 Å²	34.1	21%	0.214	19%	0.193	C	C	.	.	H	α-helix	trans	-55.5	-42.6	-175	-28	35.3	0	0	0	114.5	V440 R441 E442 Q477 I480	P438-V440 PolarHBondContact O-N 3.49Å; P438-R441 PolarHBondContact O-N 3.35Å; P438-R441 VanDerWaalsContact O-N 3.11Å; P438-E442 PolarHBondContact O-N 3.26Å; P438-Q477 HydrophobicContact CB-CG 4.11Å; P438-Q477 HydrophobicContact CG-CG 4.22Å; P438-I480 HydrophobicContact CB-CD1 3.87Å; P438-I480 WeakPolarHBondContact O-CD1 3.42Å
439	V	96.8	Very high	96.5	Very high	61 Å²	61	34.3 Å²	34.3	37%	0.37	19%	0.191	S	C	.	.	H	α-helix	trans	-56.2	-37.7	-178.7	-178.2	0	0	0	0	112.2	V403 H437 A443	V403-V439 HydrophobicContact CG1-CG1 3.99Å; V403-V439 HydrophobicContact CG2-CG1 3.89Å; H437-V439 VanDerWaalsContact C-N 3.33Å; H437-V439 PolarHBondContact O-N 2.83Å; V439-A443 WeakPolarHBondContact O-CB 3.5Å; V439-A443 PolarHBondContact O-N 2.69Å
440	V	97.5	Very high	96.5	Very high	1 Å²	1	37 Å²	37	1%	0.006	20%	0.204	C	C	.	.	H	α-helix	trans	-70	-44.9	179.1	179.5	0	0	0	0	110.8	R399 V403 D435 H437 P438 E442 A443 T444	R399-V440 HydrophobicContact CB-CG2 3.91Å; R399-V440 HydrophobicContact CG-CG2 4.14Å; V403-V440 HydrophobicContact CG2-CB 4.43Å; V403-V440 HydrophobicContact CG2-CG2 3.86Å; D435-V440 HydrophobicContact CB-CB 3.85Å; D435-V440 HydrophobicContact CB-CG1 3.7Å; H437-V440 HydrophobicContact CB-CG2 4.29Å; H437-V440 PolarHBondContact O-N 2.98Å; P438-V440 PolarHBondContact O-N 3.49Å; V440-E442 VanDerWaalsContact C-N 3.29Å; V440-E442 PolarHBondContact O-N 3.48Å; V440-A443 PolarHBondContact O-N 3.29Å; V440-T444 WeakPolarHBondContact O-CB 3.39Å; V440-T444 PolarHBondContact O-N 2.92Å; V440-T444 PolarHBondContact O-OG1 2.75Å
441	R	98	Very high	96.5	Very high	29 Å²	29	36.4 Å²	36.4	11%	0.109	20%	0.199	C	C	.	.	H	α-helix	trans	-61.8	-41.7	177.9	-60.1	-161.6	-60.2	-82.6	2.4	111	G432 F433 D435 T436 P438 T444 V445 L471 D475 I480	G432-R441 WeakPolarHBondContact O-CA 3.39Å; G432-R441 WeakPolarHBondContact O-CG 3.34Å; F433-R441 VanDerWaalsContact O-CD 3.29Å; F433-R441 WeakPolarHBondContact O-CD 3.08Å; D435-R441 HydrophobicContact CB-CG 4.22Å; D435-R441 WeakPolarHBondContact O-CD 3.5Å; D435-R441 VanDerWaalsContact O-CG 3.28Å; D435-R441 WeakPolarHBondContact O-CG 3.34Å; D435-R441 PolarHBondContact O-NH1 3.36Å; T436-R441 PolarHBondContact O-NH1 3.41Å; P438-R441 PolarHBondContact O-N 3.35Å; P438-R441 VanDerWaalsContact O-N 3.11Å; R441-T444 PolarHBondContact O-N 3.38Å; R441-V445 PolarHBondContact O-N 2.98Å; R441-L471 HydrophobicContact CB-CD1 4.26Å; R441-D475 IonicContact CZ-OD1 2.55Å; R441-D475 IonicContact CZ-OD2 3.15Å; R441-D475 VanDerWaalsContact CZ-OD2 3.3Å; R441-D475 IonicContact NE-OD2 2.78Å; R441-D475 PolarHBondContact NE-OD2 2.72Å; R441-D475 IonicContact NH2-OD1 2.84Å; R441-D475 PolarHBondContact NH2-OD1 2.99Å; R441-D475 IonicContact NH2-OD2 2.92Å; R441-D475 PolarHBondContact NH2-OD2 2.96Å; R441-D475 VanDerWaalsContact NH2-OD2 3.07Å; R441-I480 HydrophobicContact CB-CD1 4.3Å
442	E	97.7	Very high	96.5	Very high	38 Å²	38	33.9 Å²	33.9	18%	0.178	18%	0.179	C	C	.	.	H	α-helix	trans	-62.3	-51	175.9	-175.3	172.2	-175.2	0	0	112.5	P438 V440 T444 V445 R446 I480 N483	P438-E442 PolarHBondContact O-N 3.26Å; V440-E442 VanDerWaalsContact C-N 3.29Å; V440-E442 PolarHBondContact O-N 3.48Å; E442-T444 PolarHBondContact O-N 3.33Å; E442-V445 VanDerWaalsContact O-CG1 3.22Å; E442-V445 WeakPolarHBondContact O-CG1 3.21Å; E442-V445 PolarHBondContact O-N 2.98Å; E442-R446 VanDerWaalsContact O-CG 3.29Å; E442-R446 WeakPolarHBondContact O-CG 3.48Å; E442-R446 PolarHBondContact O-N 3.5Å; E442-R446 VanDerWaalsContact O-N 3.15Å; E442-I480 HydrophobicContact CB-CD1 4.26Å; E442-I480 HydrophobicContact CB-CG1 4.15Å; E442-N483 PolarHBondContact OE1-ND2 3.03Å; E442-N483 VanDerWaalsContact OE1-ND2 3.11Å
443	A	96.9	Very high	96.4	Very high	11 Å²	11	36.7 Å²	36.7	9%	0.091	20%	0.197	C	C	.	.	H	α-helix	trans	-59.3	-39.4	177.2	0	0	0	0	0	111.3	V403 L406 V439 V440 R446 A447	V403-A443 HydrophobicContact CG1-CB 4.24Å; V403-A443 HydrophobicContact CG2-CB 4.38Å; L406-A443 HydrophobicContact CB-CB 4.05Å; L406-A443 HydrophobicContact CD1-CB 4.03Å; V439-A443 WeakPolarHBondContact O-CB 3.5Å; V439-A443 PolarHBondContact O-N 2.69Å; V440-A443 PolarHBondContact O-N 3.29Å; A443-R446 PolarHBondContact O-N 3.49Å; A443-A447 VanDerWaalsContact O-CB 3.29Å; A443-A447 WeakPolarHBondContact O-CB 3.42Å; A443-A447 PolarHBondContact O-N 3.24Å
444	T	98.1	Very high	96.2	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.006	21%	0.206	C	C	.	.	H	α-helix	trans	-63.3	-50.2	179.7	-57.3	0	0	0	0	111.6	V429 G432 F433 V440 R441 E442 R446 A447 M448	V429-T444 HydrophobicContact CG1-CG2 4.09Å; V429-T444 VanDerWaalsContact O-CG2 3.27Å; V429-T444 WeakPolarHBondContact O-CG2 3.32Å; G432-T444 WeakPolarHBondContact CA-OG1 3.24Å; F433-T444 HydrophobicContact CD1-CG2 4.02Å; F433-T444 HydrophobicContact CD2-CG2 3.86Å; F433-T444 HydrophobicContact CE1-CG2 4.07Å; F433-T444 HydrophobicContact CE2-CG2 3.89Å; F433-T444 HydrophobicContact CG-CG2 3.93Å; F433-T444 HydrophobicContact CZ-CG2 4.02Å; V440-T444 WeakPolarHBondContact O-CB 3.39Å; V440-T444 PolarHBondContact O-N 2.92Å; V440-T444 PolarHBondContact O-OG1 2.75Å; R441-T444 PolarHBondContact O-N 3.38Å; E442-T444 PolarHBondContact O-N 3.33Å; T444-R446 VanDerWaalsContact C-N 3.29Å; T444-R446 PolarHBondContact O-N 2.96Å; T444-A447 PolarHBondContact O-N 3.47Å; T444-M448 WeakPolarHBondContact O-CG 3.39Å; T444-M448 PolarHBondContact O-N 3.41Å
445	V	98	Very high	96.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65	-34.4	-178.8	67.1	0	0	0	0	112.3	F433 R441 E442 I468 L471 N483 A484 C487	F433-V445 HydrophobicContact CE1-CB 4.19Å; F433-V445 HydrophobicContact CE1-CG2 4.46Å; R441-V445 PolarHBondContact O-N 2.98Å; E442-V445 VanDerWaalsContact O-CG1 3.22Å; E442-V445 WeakPolarHBondContact O-CG1 3.21Å; E442-V445 PolarHBondContact O-N 2.98Å; V445-I468 HydrophobicContact CG2-CG2 4.28Å; V445-L471 HydrophobicContact CB-CD2 3.84Å; V445-L471 HydrophobicContact CG1-CD2 4.11Å; V445-L471 HydrophobicContact CG2-CD2 4.15Å; V445-N483 HydrophobicContact CG1-CB 4.02Å; V445-A484 HydrophobicContact CG2-CB 4.25Å; V445-C487 HydrophobicContact CG2-CB 3.83Å; V445-C487 PolarHBondContact O-SG 3Å
446	R	96.4	Very high	96	Very high	95 Å²	95	35.5 Å²	35.5	36%	0.358	19%	0.187	S	C	.	.	H	α-helix	trans	-68.9	-45.4	176.5	-68.6	171.2	63	90.5	6.3	111.8	E442 A443 T444 M448 I449	E442-R446 VanDerWaalsContact O-CG 3.29Å; E442-R446 WeakPolarHBondContact O-CG 3.48Å; E442-R446 PolarHBondContact O-N 3.5Å; E442-R446 VanDerWaalsContact O-N 3.15Å; A443-R446 PolarHBondContact O-N 3.49Å; T444-R446 VanDerWaalsContact C-N 3.29Å; T444-R446 PolarHBondContact O-N 2.96Å; R446-M448 PolarHBondContact O-N 3.13Å; R446-M448 VanDerWaalsContact O-N 3.16Å; R446-I449 WeakPolarHBondContact O-CB 3.28Å; R446-I449 PolarHBondContact O-N 3.18Å; R446-I449 VanDerWaalsContact O-N 3.16Å
447	A	97.4	Very high	95.7	Very high	2 Å²	2	35.2 Å²	35.2	2%	0.017	19%	0.186	C	C	.	.	H	α-helix	trans	-60.4	-25.8	-179.8	0	0	0	0	0	113.5	L406 L409 A443 T444 I449 H450 L451	L406-A447 HydrophobicContact CB-CB 3.93Å; L406-A447 HydrophobicContact CD2-CB 3.54Å; L406-A447 HydrophobicContact CG-CB 4.28Å; L409-A447 HydrophobicContact CD2-CB 3.84Å; A443-A447 VanDerWaalsContact O-CB 3.29Å; A443-A447 WeakPolarHBondContact O-CB 3.42Å; A443-A447 PolarHBondContact O-N 3.24Å; T444-A447 PolarHBondContact O-N 3.47Å; A447-I449 PolarHBondContact O-N 3.47Å; A447-H450 PolarHBondContact O-N 2.96Å; A447-L451 PolarHBondContact O-N 3.36Å; A447-L451 VanDerWaalsContact O-N 3.13Å
448	M	96.8	Very high	95.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.2	-25	177.5	-68.4	-58.9	95.7	0	0	114.5	V429 F433 T444 R446 H450 L451 A452 L464 L491	V429-M448 HydrophobicContact CG1-CE 3.31Å; F433-M448 HydrophobicContact CE1-CG 4.41Å; F433-M448 HydrophobicContact CE2-CG 4.34Å; F433-M448 HydrophobicContact CE2-SD 4.27Å; F433-M448 HydrophobicContact CZ-CG 3.59Å; F433-M448 HydrophobicContact CZ-SD 4.08Å; T444-M448 WeakPolarHBondContact O-CG 3.39Å; T444-M448 PolarHBondContact O-N 3.41Å; R446-M448 PolarHBondContact O-N 3.13Å; R446-M448 VanDerWaalsContact O-N 3.16Å; M448-H450 PolarHBondContact O-N 2.97Å; M448-L451 HydrophobicContact CE-CB 3.98Å; M448-L451 HydrophobicContact CE-CD2 3.67Å; M448-L451 HydrophobicContact CE-CG 4.48Å; M448-L451 PolarHBondContact O-N 2.84Å; M448-L451 HydrophobicContact SD-CD2 4.46Å; M448-A452 WeakPolarHBondContact O-CB 3.27Å; M448-A452 PolarHBondContact O-N 3.02Å; M448-L464 HydrophobicContact CB-CD1 4.42Å; M448-L464 HydrophobicContact CG-CD1 3.77Å; M448-L464 HydrophobicContact SD-CD1 3.61Å; M448-L491 HydrophobicContact CB-CD1 4.23Å
449	I	96.1	Very high	95.3	Very high	44 Å²	44	37 Å²	37	23%	0.226	19%	0.19	C	C	.	.	H	α-helix	trans	-57.6	-37.1	174.8	-63.7	169.7	0	0	0	110.1	R446 A447 P453 K490	R446-I449 WeakPolarHBondContact O-CB 3.28Å; R446-I449 PolarHBondContact O-N 3.18Å; R446-I449 VanDerWaalsContact O-N 3.16Å; A447-I449 PolarHBondContact O-N 3.47Å; I449-P453 WeakPolarHBondContact O-CD 3.36Å; I449-K490 HydrophobicContact CD1-CD 3.83Å; I449-K490 HydrophobicContact CG1-CD 4.46Å
450	H	95.4	Very high	95.1	Very high	65 Å²	65	34.5 Å²	34.5	30%	0.301	18%	0.175	S	C	.	.	H	α-helix	trans	-88.7	-31.2	-179.1	-56.1	-77.7	0	0	0	112.9	L409 V413 A447 M448	L409-H450 HydrophobicContact CD2-CB 4.35Å; V413-H450 HydrophobicContact CG1-CB 4.41Å; A447-H450 PolarHBondContact O-N 2.96Å; M448-H450 PolarHBondContact O-N 2.97Å
451	L	95.1	Very high	94.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-83	-37.8	-177.4	-159.7	66.7	0	0	0	113.3	L409 V413 I421 F426 A447 M448 K454 L455	L409-L451 HydrophobicContact CD2-CB 4.17Å; L409-L451 HydrophobicContact CD2-CD1 4.39Å; V413-L451 HydrophobicContact CG2-CD1 4.47Å; I421-L451 HydrophobicContact CD1-CD1 4.1Å; I421-L451 HydrophobicContact CG1-CD1 4.22Å; I421-L451 HydrophobicContact CG2-CD1 3.63Å; I421-L451 HydrophobicContact CG2-CD2 4.24Å; I421-L451 HydrophobicContact CG2-CG 3.98Å; F426-L451 HydrophobicContact CD2-CD2 4.38Å; A447-L451 PolarHBondContact O-N 3.36Å; A447-L451 VanDerWaalsContact O-N 3.13Å; M448-L451 HydrophobicContact CE-CB 3.98Å; M448-L451 HydrophobicContact CE-CD2 3.67Å; M448-L451 HydrophobicContact CE-CG 4.48Å; M448-L451 PolarHBondContact O-N 2.84Å; M448-L451 HydrophobicContact SD-CD2 4.46Å; L451-K454 PolarHBondContact O-N 3.46Å; L451-L455 HydrophobicContact CD2-CD2 4.32Å; L451-L455 HydrophobicContact CG-CD2 4.09Å
452	A	94.1	Very high	94.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-54.3	-39.1	-173.8	0	0	0	0	0	115	M448 K454 L455 L460 L464 L491	M448-A452 WeakPolarHBondContact O-CB 3.27Å; M448-A452 PolarHBondContact O-N 3.02Å; A452-K454 PolarHBondContact O-N 3.44Å; A452-L455 PolarHBondContact O-N 3.49Å; A452-L460 HydrophobicContact CB-CD2 3.88Å; A452-L464 HydrophobicContact CB-CD2 4.09Å; A452-L491 HydrophobicContact CB-CD1 3.75Å; A452-L491 HydrophobicContact CB-CD2 3.48Å; A452-L491 VanDerWaalsContact CB-CD2 3.48Å; A452-L491 HydrophobicContact CB-CG 4.23Å
453	P	92.4	Very high	94.2	Very high	60 Å²	60	39.7 Å²	39.7	39%	0.39	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-59.7	-20.8	177.2	-23.7	34.1	0	0	0	114.2	I449 Y494	I449-P453 WeakPolarHBondContact O-CD 3.36Å; P453-Y494 HydrophobicContact CB-CE1 3.82Å; P453-Y494 HydrophobicContact CG-CE1 4.07Å; P453-Y494 HydrophobicContact CG-CE2 4.18Å
454	K	93.1	Very high	94.2	Very high	51 Å²	51	39.1 Å²	39.1	22%	0.222	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-100.9	2.9	179.4	-65.8	-166.1	167.6	-167.8	0	113.7	V413 Q414 L416 T418 I421 L451 A452	V413-K454 HydrophobicContact CG2-CD 4.34Å; V413-K454 WeakPolarHBondContact O-CE 3.28Å; V413-K454 PolarHBondContact O-NZ 3.02Å; Q414-K454 PolarHBondContact O-NZ 3.46Å; L416-K454 PolarHBondContact O-NZ 3.25Å; T418-K454 WeakPolarHBondContact CG2-O 3.47Å; I421-K454 HydrophobicContact CD1-CB 3.59Å; I421-K454 HydrophobicContact CD1-CD 3.46Å; I421-K454 VanDerWaalsContact CD1-CD 3.46Å; I421-K454 HydrophobicContact CD1-CG 4.15Å; L451-K454 PolarHBondContact O-N 3.46Å; A452-K454 PolarHBondContact O-N 3.44Å
455	L	93.8	Very high	94	Very high	12 Å²	12	39.4 Å²	39.4	6%	0.063	20%	0.2	C	C	.	.	S	Bend	trans	-91.3	146.1	179	-58	-176.6	0	0	0	111.3	I421 F426 L451 A452 L459 L460 L464	I421-L455 HydrophobicContact CG2-CD2 3.56Å; F426-L455 HydrophobicContact CD2-CD1 3.76Å; F426-L455 HydrophobicContact CD2-CD2 3.85Å; F426-L455 HydrophobicContact CD2-CG 4.49Å; F426-L455 HydrophobicContact CE2-CD1 3.61Å; L451-L455 HydrophobicContact CD2-CD2 4.32Å; L451-L455 HydrophobicContact CG-CD2 4.09Å; A452-L455 PolarHBondContact O-N 3.49Å; L455-L459 HydrophobicContact CB-CB 4.48Å; L455-L459 HydrophobicContact CB-CD2 4.22Å; L455-L459 HydrophobicContact CD1-CD2 4.31Å; L455-L459 HydrophobicContact CD2-CD2 3.82Å; L455-L459 HydrophobicContact CG-CD2 4.32Å; L455-L460 HydrophobicContact CB-CD2 3.96Å; L455-L460 HydrophobicContact CB-CG 3.94Å; L455-L460 HydrophobicContact CD1-CD2 4.08Å; L455-L464 HydrophobicContact CD1-CD2 4.26Å
456	S	92.7	Very high	93.9	Very high	45 Å²	45	45.7 Å²	45.7	32%	0.315	23%	0.227	S	C	.	.			trans	-62.6	152.8	170.5	51.7	0	0	0	0	112.9	E422 K458 L459 L460	E422-S456 WeakPolarHBondContact OE1-CA 3.36Å; E422-S456 WeakPolarHBondContact OE1-CB 3.44Å; E422-S456 PolarHBondContact OE1-N 3.12Å; E422-S456 PolarHBondContact OE1-OG 3.48Å; S456-K458 PolarHBondContact O-N 3.32Å; S456-K458 VanDerWaalsContact O-N 3.14Å; S456-L459 WeakPolarHBondContact O-CB 3.31Å; S456-L459 PolarHBondContact O-N 3.38Å; S456-L460 PolarHBondContact O-N 3.38Å
457	T	90.3	Very high	94	Very high	100 Å²	100	44.6 Å²	44.6	61%	0.613	22%	0.223	S	C	*	.	H	α-helix	trans	-52.4	-37.4	178.1	-46.8	0	0	0	0	113	N461	T457-N461 WeakPolarHBondContact CG2-ND2 3.48Å; T457-N461 WeakPolarHBondContact O-CB 3.38Å; T457-N461 PolarHBondContact O-N 3.42Å; T457-N461 PolarHBondContact O-ND2 2.98Å
458	K	91	Very high	94	Very high	138 Å²	138	44.5 Å²	44.5	60%	0.6	22%	0.222	S	C	*	.	H	α-helix	trans	-65.1	-47.6	177.7	-173.7	-180	-178.6	179.8	0	111.3	S456 L460 N461 E462	S456-K458 PolarHBondContact O-N 3.32Å; S456-K458 VanDerWaalsContact O-N 3.14Å; K458-L460 VanDerWaalsContact C-N 3.33Å; K458-L460 PolarHBondContact O-N 3.47Å; K458-N461 PolarHBondContact O-N 3.26Å; K458-E462 WeakPolarHBondContact CE-OE2 3.4Å; K458-E462 HydrophobicContact CG-CG 4.34Å; K458-E462 VanDerWaalsContact O-CB 3.32Å; K458-E462 WeakPolarHBondContact O-CB 3.15Å; K458-E462 PolarHBondContact O-N 2.96Å
459	L	92.9	Very high	94	Very high	25 Å²	25	45.5 Å²	45.5	13%	0.131	23%	0.228	C	C	.	.	I	π-helix	trans	-64.2	-41	-178.1	-162.8	58.9	0	0	0	111.5	E422 F426 L455 S456 N463 L464	E422-L459 HydrophobicContact CG-CD2 4.3Å; F426-L459 HydrophobicContact CB-CD2 4.16Å; F426-L459 HydrophobicContact CD1-CD1 3.59Å; F426-L459 HydrophobicContact CD1-CD2 3.71Å; F426-L459 HydrophobicContact CD1-CG 3.93Å; F426-L459 HydrophobicContact CD2-CD2 3.77Å; F426-L459 HydrophobicContact CD2-CG 4.21Å; F426-L459 HydrophobicContact CE1-CD1 3.24Å; F426-L459 HydrophobicContact CE1-CD2 4Å; F426-L459 HydrophobicContact CE1-CG 3.68Å; F426-L459 HydrophobicContact CE2-CD1 4.44Å; F426-L459 HydrophobicContact CE2-CD2 4.04Å; F426-L459 HydrophobicContact CE2-CG 3.96Å; F426-L459 HydrophobicContact CG-CD1 4.34Å; F426-L459 HydrophobicContact CG-CD2 3.59Å; F426-L459 HydrophobicContact CG-CG 4.19Å; F426-L459 HydrophobicContact CZ-CD1 3.72Å; F426-L459 HydrophobicContact CZ-CD2 4.15Å; F426-L459 HydrophobicContact CZ-CG 3.68Å; L455-L459 HydrophobicContact CB-CB 4.48Å; L455-L459 HydrophobicContact CB-CD2 4.22Å; L455-L459 HydrophobicContact CD1-CD2 4.31Å; L455-L459 HydrophobicContact CD2-CD2 3.82Å; L455-L459 HydrophobicContact CG-CD2 4.32Å; S456-L459 WeakPolarHBondContact O-CB 3.31Å; S456-L459 PolarHBondContact O-N 3.38Å; L459-N463 HydrophobicContact CD1-CB 4.09Å; L459-N463 WeakPolarHBondContact O-CB 3.27Å; L459-N463 PolarHBondContact O-N 3.5Å; L459-L464 PolarHBondContact O-N 2.87Å
460	L	93.6	Very high	94	Very high	8 Å²	8	46.6 Å²	46.6	4%	0.042	24%	0.237	C	C	.	.	I	π-helix	trans	-59.1	-62.5	172.5	-68	170.7	0	0	0	111.2	A452 L455 S456 K458 E462 L464 I465 F495	A452-L460 HydrophobicContact CB-CD2 3.88Å; L455-L460 HydrophobicContact CB-CD2 3.96Å; L455-L460 HydrophobicContact CB-CG 3.94Å; L455-L460 HydrophobicContact CD1-CD2 4.08Å; S456-L460 PolarHBondContact O-N 3.38Å; K458-L460 VanDerWaalsContact C-N 3.33Å; K458-L460 PolarHBondContact O-N 3.47Å; L460-E462 PolarHBondContact O-N 3Å; L460-L464 HydrophobicContact CD2-CD2 3.6Å; L460-I465 PolarHBondContact O-N 3.41Å; L460-F495 HydrophobicContact CB-CD1 4.39Å; L460-F495 HydrophobicContact CB-CE1 4.28Å; L460-F495 VanDerWaalsContact O-CE1 3.32Å; L460-F495 WeakPolarHBondContact O-CE1 3.46Å
461	N	92	Very high	94.1	Very high	27 Å²	27	44 Å²	44	14%	0.144	23%	0.225	C	C	.	.	I	π-helix	trans	-77.9	-18.8	-167.6	-69.5	-81.4	0	0	0	114.8	T457 K458 I465 S496 T499	T457-N461 WeakPolarHBondContact CG2-ND2 3.48Å; T457-N461 WeakPolarHBondContact O-CB 3.38Å; T457-N461 PolarHBondContact O-N 3.42Å; T457-N461 PolarHBondContact O-ND2 2.98Å; K458-N461 PolarHBondContact O-N 3.26Å; N461-I465 WeakPolarHBondContact O-CG2 3.46Å; N461-S496 PolarHBondContact OD1-N 3.41Å; N461-S496 PolarHBondContact OD1-OG 2.77Å; N461-T499 WeakPolarHBondContact OD1-CB 3.21Å; N461-T499 PolarHBondContact OD1-OG1 2.87Å
462	E	90	Very high	94.2	Very high	92 Å²	92	44.2 Å²	44.2	43%	0.43	23%	0.227	S	C	.	.	I	π-helix	trans	-106.9	-35.1	-179.8	-64.9	-178.8	-175.5	0	0	114	K458 L460 K466	K458-E462 WeakPolarHBondContact CE-OE2 3.4Å; K458-E462 HydrophobicContact CG-CG 4.34Å; K458-E462 VanDerWaalsContact O-CB 3.32Å; K458-E462 WeakPolarHBondContact O-CB 3.15Å; K458-E462 PolarHBondContact O-N 2.96Å; L460-E462 PolarHBondContact O-N 3Å; E462-K466 WeakPolarHBondContact O-CD 3.5Å; E462-K466 WeakPolarHBondContact O-CE 3.31Å; E462-K466 WeakPolarHBondContact O-CG 3.23Å; E462-K466 PolarHBondContact O-NZ 3.49Å
463	N	92.9	Very high	94.3	Very high	57 Å²	57	46.7 Å²	46.7	31%	0.305	24%	0.244	S	C	.	.	I	π-helix	trans	-107.7	-60	-171.2	-64.5	-89.9	0	0	0	110.9	F426 L459 I465 K466 Y467	F426-N463 HydrophobicContact CZ-CB 4.46Å; L459-N463 HydrophobicContact CD1-CB 4.09Å; L459-N463 WeakPolarHBondContact O-CB 3.27Å; L459-N463 PolarHBondContact O-N 3.5Å; N463-I465 VanDerWaalsContact C-N 3.32Å; N463-I465 PolarHBondContact O-N 3.36Å; N463-K466 PolarHBondContact O-N 2.93Å; N463-Y467 HydrophobicContact CB-CE2 4.2Å; N463-Y467 VanDerWaalsContact O-CD2 3.24Å; N463-Y467 WeakPolarHBondContact O-CD2 3.39Å; N463-Y467 PolarHBondContact O-N 2.84Å; N463-Y467 VanDerWaalsContact O-N 3.1Å
464	L	95.5	Very high	94.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.263	C	S	.	.	I	π-helix	trans	-57.6	-45.2	-174.6	-177.2	61.3	0	0	0	111.9	F433 M448 A452 L455 L459 L460 K466 Y467 I468 L491 F495	F433-L464 HydrophobicContact CE2-CD1 4.08Å; F433-L464 HydrophobicContact CZ-CD1 3.77Å; M448-L464 HydrophobicContact CB-CD1 4.42Å; M448-L464 HydrophobicContact CG-CD1 3.77Å; M448-L464 HydrophobicContact SD-CD1 3.61Å; A452-L464 HydrophobicContact CB-CD2 4.09Å; L455-L464 HydrophobicContact CD1-CD2 4.26Å; L459-L464 PolarHBondContact O-N 2.87Å; L460-L464 HydrophobicContact CD2-CD2 3.6Å; L464-K466 VanDerWaalsContact C-N 3.28Å; L464-K466 PolarHBondContact O-N 2.88Å; L464-Y467 PolarHBondContact O-N 3.22Å; L464-I468 HydrophobicContact CD1-CD1 3.77Å; L464-I468 HydrophobicContact CD1-CG1 4.01Å; L464-I468 HydrophobicContact CD2-CD1 4.32Å; L464-I468 HydrophobicContact CG-CD1 3.74Å; L464-I468 HydrophobicContact CG-CG1 4.34Å; L464-I468 WeakPolarHBondContact O-CG1 3.33Å; L464-I468 PolarHBondContact O-N 3.02Å; L464-L491 HydrophobicContact CD2-CD1 4.07Å; L464-F495 HydrophobicContact CD2-CZ 4.38Å
465	I	95.4	Very high	94.6	Very high	7 Å²	7	51.9 Å²	51.9	4%	0.036	26%	0.255	C	S	.	.	H	α-helix	trans	-58.4	-39.4	177.8	-174.5	60.2	0	0	0	112.5	L460 N461 N463 T469 L488 F495 T499 P503 I504	L460-I465 PolarHBondContact O-N 3.41Å; N461-I465 WeakPolarHBondContact O-CG2 3.46Å; N463-I465 VanDerWaalsContact C-N 3.32Å; N463-I465 PolarHBondContact O-N 3.36Å; I465-T469 HydrophobicContact CD1-CG2 3.7Å; I465-T469 HydrophobicContact CG1-CG2 4.16Å; I465-T469 WeakPolarHBondContact O-CB 3.41Å; I465-T469 WeakPolarHBondContact O-CG2 3.27Å; I465-T469 PolarHBondContact O-N 3.48Å; I465-T469 PolarHBondContact O-OG1 3.11Å; I465-L488 HydrophobicContact CD1-CD2 3.55Å; I465-F495 HydrophobicContact CB-CD1 4.5Å; I465-F495 HydrophobicContact CB-CE1 3.88Å; I465-F495 HydrophobicContact CB-CZ 4.49Å; I465-F495 HydrophobicContact CD1-CE1 4.45Å; I465-F495 HydrophobicContact CD1-CZ 4.48Å; I465-T499 HydrophobicContact CB-CG2 4.36Å; I465-T499 HydrophobicContact CD1-CG2 4.31Å; I465-T499 HydrophobicContact CG1-CG2 3.9Å; I465-P503 HydrophobicContact CG1-CB 4.06Å; I465-I504 HydrophobicContact CD1-CD1 4.15Å; I465-I504 HydrophobicContact CD1-CG1 3.47Å; I465-I504 VanDerWaalsContact CD1-CG1 3.47Å
466	K	95.5	Very high	94.8	Very high	132 Å²	132	55.3 Å²	55.3	57%	0.574	29%	0.285	S	S	*	.	H	α-helix	trans	-68.4	-41.9	179.6	-67.9	-178.9	-171.3	155.7	0	111	E462 N463 L464 T469 T470	E462-K466 WeakPolarHBondContact O-CD 3.5Å; E462-K466 WeakPolarHBondContact O-CE 3.31Å; E462-K466 WeakPolarHBondContact O-CG 3.23Å; E462-K466 PolarHBondContact O-NZ 3.49Å; N463-K466 PolarHBondContact O-N 2.93Å; L464-K466 VanDerWaalsContact C-N 3.28Å; L464-K466 PolarHBondContact O-N 2.88Å; K466-T469 PolarHBondContact O-OG1 3.46Å; K466-T470 VanDerWaalsContact O-CB 3.25Å; K466-T470 WeakPolarHBondContact O-CB 3.37Å; K466-T470 PolarHBondContact O-N 2.97Å; K466-T470 PolarHBondContact O-OG1 3.1Å
467	Y	97.1	Very high	95	Very high	71 Å²	71	56.7 Å²	56.7	28%	0.278	29%	0.287	S	S	.	.	H	α-helix	trans	-61.2	-51.5	176.8	-69.6	-54	0	0	0	111.6	F433 N463 L464 T470 L471	F433-Y467 HydrophobicContact CB-CD1 4.16Å; F433-Y467 HydrophobicContact CB-CG 4.35Å; F433-Y467 HydrophobicContact CD2-CD1 4.24Å; F433-Y467 AromaticContact CD2-CD2 4Å; F433-Y467 HydrophobicContact CD2-CD2 4Å; F433-Y467 AromaticContact CD2-CG 3.7Å; F433-Y467 HydrophobicContact CD2-CG 3.7Å; F433-Y467 HydrophobicContact CE2-CD2 4.17Å; F433-Y467 HydrophobicContact CE2-CG 4.15Å; F433-Y467 HydrophobicContact CG-CD1 4.43Å; F433-Y467 HydrophobicContact CG-CG 4.12Å; N463-Y467 HydrophobicContact CB-CE2 4.2Å; N463-Y467 VanDerWaalsContact O-CD2 3.24Å; N463-Y467 WeakPolarHBondContact O-CD2 3.39Å; N463-Y467 PolarHBondContact O-N 2.84Å; N463-Y467 VanDerWaalsContact O-N 3.1Å; L464-Y467 PolarHBondContact O-N 3.22Å; Y467-T470 PolarHBondContact O-N 2.86Å; Y467-L471 PolarHBondContact O-N 2.75Å
468	I	97.4	Very high	95.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-68.4	-42	-176.1	-53.8	169.3	0	0	0	111.5	F433 V445 L464 T470 L471 Q472 A484 L488 L491	F433-I468 HydrophobicContact CE1-CG1 4.03Å; F433-I468 HydrophobicContact CZ-CG1 4.14Å; V445-I468 HydrophobicContact CG2-CG2 4.28Å; L464-I468 HydrophobicContact CD1-CD1 3.77Å; L464-I468 HydrophobicContact CD1-CG1 4.01Å; L464-I468 HydrophobicContact CD2-CD1 4.32Å; L464-I468 HydrophobicContact CG-CD1 3.74Å; L464-I468 HydrophobicContact CG-CG1 4.34Å; L464-I468 WeakPolarHBondContact O-CG1 3.33Å; L464-I468 PolarHBondContact O-N 3.02Å; I468-T470 VanDerWaalsContact C-N 3.33Å; I468-T470 PolarHBondContact O-N 3.37Å; I468-L471 PolarHBondContact O-N 3.03Å; I468-Q472 WeakPolarHBondContact O-CB 3.22Å; I468-Q472 PolarHBondContact O-N 3.1Å; I468-A484 HydrophobicContact CG2-CB 3.81Å; I468-A484 WeakPolarHBondContact CG2-O 3.49Å; I468-L488 HydrophobicContact CB-CD2 3.87Å; I468-L488 HydrophobicContact CB-CG 4.17Å; I468-L488 HydrophobicContact CD1-CD2 4.22Å; I468-L488 HydrophobicContact CG2-CD1 4.09Å; I468-L488 HydrophobicContact CG2-CD2 3.79Å; I468-L488 HydrophobicContact CG2-CG 3.51Å; I468-L491 HydrophobicContact CD1-CD1 4.19Å
469	T	96.8	Very high	95.6	Very high	21 Å²	21	46.8 Å²	46.8	13%	0.129	24%	0.244	C	C	.	.	H	α-helix	trans	-68.3	-30.9	178.7	55.3	0	0	0	0	113.1	I465 K466 S473 L488 A507	I465-T469 HydrophobicContact CD1-CG2 3.7Å; I465-T469 HydrophobicContact CG1-CG2 4.16Å; I465-T469 WeakPolarHBondContact O-CB 3.41Å; I465-T469 WeakPolarHBondContact O-CG2 3.27Å; I465-T469 PolarHBondContact O-N 3.48Å; I465-T469 PolarHBondContact O-OG1 3.11Å; K466-T469 PolarHBondContact O-OG1 3.46Å; T469-S473 PolarHBondContact O-N 2.88Å; T469-S473 PolarHBondContact O-OG 2.9Å; T469-L488 HydrophobicContact CG2-CD1 3.92Å; T469-L488 HydrophobicContact CG2-CD2 4.39Å; T469-A507 HydrophobicContact CG2-CB 3.87Å
470	T	96.9	Very high	95.8	Very high	67 Å²	67	45.8 Å²	45.8	41%	0.411	24%	0.239	S	C	.	.	H	α-helix	trans	-66.2	-47.1	171.6	-59.8	0	0	0	0	110.1	K466 Y467 I468 Q472 S473 R474	K466-T470 VanDerWaalsContact O-CB 3.25Å; K466-T470 WeakPolarHBondContact O-CB 3.37Å; K466-T470 PolarHBondContact O-N 2.97Å; K466-T470 PolarHBondContact O-OG1 3.1Å; Y467-T470 PolarHBondContact O-N 2.86Å; I468-T470 VanDerWaalsContact C-N 3.33Å; I468-T470 PolarHBondContact O-N 3.37Å; T470-Q472 PolarHBondContact O-N 3.18Å; T470-S473 PolarHBondContact O-N 2.87Å; T470-S473 PolarHBondContact O-OG 2.85Å; T470-R474 WeakPolarHBondContact O-CB 3.3Å; T470-R474 PolarHBondContact O-N 2.77Å
471	L	96.7	Very high	96	Very high	10 Å²	10	46.7 Å²	46.7	5%	0.052	24%	0.242	C	C	.	.	H	α-helix	trans	-60.5	-46.5	177.6	-159.9	72.8	0	0	0	111.5	F433 R441 V445 Y467 I468 S473 D475 I480 A484	F433-L471 HydrophobicContact CD1-CD2 4.28Å; R441-L471 HydrophobicContact CB-CD1 4.26Å; V445-L471 HydrophobicContact CB-CD2 3.84Å; V445-L471 HydrophobicContact CG1-CD2 4.11Å; V445-L471 HydrophobicContact CG2-CD2 4.15Å; Y467-L471 PolarHBondContact O-N 2.75Å; I468-L471 PolarHBondContact O-N 3.03Å; L471-S473 PolarHBondContact O-N 3.2Å; L471-D475 HydrophobicContact CD1-CB 4.19Å; L471-D475 WeakPolarHBondContact CD1-OD2 3.43Å; L471-D475 HydrophobicContact CG-CB 4.36Å; L471-D475 WeakPolarHBondContact O-CB 3.36Å; L471-D475 PolarHBondContact O-N 3.49Å; L471-D475 VanDerWaalsContact O-N 3.11Å; L471-I480 HydrophobicContact CD1-CG2 4.02Å; L471-I480 HydrophobicContact CD2-CG2 3.5Å; L471-I480 HydrophobicContact CG-CG2 3.64Å; L471-A484 HydrophobicContact CB-CB 4.34Å; L471-A484 HydrophobicContact CD2-CB 4.36Å
472	Q	97.8	Very high	96.3	Very high	5 Å²	5	45.8 Å²	45.8	2%	0.023	24%	0.237	C	C	.	.	H	α-helix	trans	-56.5	-34.8	177.3	-171.3	-167.3	47.2	0	0	113.3	I468 T470 R481 A484 T485 A507	I468-Q472 WeakPolarHBondContact O-CB 3.22Å; I468-Q472 PolarHBondContact O-N 3.1Å; T470-Q472 PolarHBondContact O-N 3.18Å; Q472-R481 VanDerWaalsContact O-CD 3.27Å; Q472-R481 WeakPolarHBondContact O-CD 3.48Å; Q472-R481 WeakPolarHBondContact O-CG 3.41Å; Q472-A484 HydrophobicContact CB-CB 3.8Å; Q472-A484 HydrophobicContact CG-CB 4.43Å; Q472-T485 WeakPolarHBondContact CG-OG1 3.31Å; Q472-T485 PolarHBondContact NE2-OG1 2.86Å; Q472-A507 PolarHBondContact OE1-O 3.19Å
473	S	95.6	Very high	96.6	Very high	53 Å²	53	42.2 Å²	42.2	37%	0.371	22%	0.221	S	C	.	.	H	α-helix	trans	-102.5	-21.7	-172.2	57.4	0	0	0	0	114.8	T469 T470 L471	T469-S473 PolarHBondContact O-N 2.88Å; T469-S473 PolarHBondContact O-OG 2.9Å; T470-S473 PolarHBondContact O-N 2.87Å; T470-S473 PolarHBondContact O-OG 2.85Å; L471-S473 PolarHBondContact O-N 3.2Å
474	R	95.9	Very high	96.9	Very high	208 Å²	208	39.5 Å²	39.5	79%	0.785	21%	0.206	S	C	*	.	H	α-helix	trans	-122.4	-11.2	-171.5	-58.6	-169.8	179.7	-172.8	-2.5	114.7	T470 A476	T470-R474 WeakPolarHBondContact O-CB 3.3Å; T470-R474 PolarHBondContact O-N 2.77Å; R474-A476 PolarHBondContact O-N 2.87Å
475	D	97.6	Very high	97	Very high	11 Å²	11	39.5 Å²	39.5	6%	0.059	21%	0.206	C	C	.	.			trans	-66	135.4	179.6	-157.8	-61.4	0	0	0	110.9	R441 L471 Q477 I480 R481	R441-D475 IonicContact CZ-OD1 2.55Å; R441-D475 IonicContact CZ-OD2 3.15Å; R441-D475 VanDerWaalsContact CZ-OD2 3.3Å; R441-D475 IonicContact NE-OD2 2.78Å; R441-D475 PolarHBondContact NE-OD2 2.72Å; R441-D475 IonicContact NH2-OD1 2.84Å; R441-D475 PolarHBondContact NH2-OD1 2.99Å; R441-D475 IonicContact NH2-OD2 2.92Å; R441-D475 PolarHBondContact NH2-OD2 2.96Å; R441-D475 VanDerWaalsContact NH2-OD2 3.07Å; L471-D475 HydrophobicContact CD1-CB 4.19Å; L471-D475 WeakPolarHBondContact CD1-OD2 3.43Å; L471-D475 HydrophobicContact CG-CB 4.36Å; L471-D475 WeakPolarHBondContact O-CB 3.36Å; L471-D475 PolarHBondContact O-N 3.49Å; L471-D475 VanDerWaalsContact O-N 3.11Å; D475-Q477 VanDerWaalsContact C-N 3.26Å; D475-Q477 PolarHBondContact O-N 2.9Å; D475-Q477 WeakPolarHBondContact OD1-CB 3.28Å; D475-Q477 PolarHBondContact OD1-N 3.43Å; D475-I480 HydrophobicContact CB-CB 4.43Å; D475-I480 HydrophobicContact CB-CG2 4.27Å; D475-I480 WeakPolarHBondContact OD2-CG2 3.22Å; D475-R481 HydrophobicContact CB-CG 3.96Å; D475-R481 VanDerWaalsContact O-CD 3.29Å; D475-R481 WeakPolarHBondContact O-CD 3.31Å; D475-R481 PolarHBondContact O-NH1 3.38Å
476	A	96.2	Very high	97.1	Very high	84 Å²	84	40.2 Å²	40.2	69%	0.694	21%	0.211	S	C	*	.	S	Bend	trans	-64.1	-33.6	177.4	0	0	0	0	0	111.9	R474 R481	R474-A476 PolarHBondContact O-N 2.87Å; A476-R481 PolarHBondContact O-NH1 2.93Å; A476-R481 VanDerWaalsContact O-NH1 3.12Å
477	Q	97.5	Very high	97.2	Very high	74 Å²	74	34 Å²	34	35%	0.346	18%	0.184	S	C	.	.			trans	-85.1	117.9	-175.5	-60.4	-58.6	-28.6	0	0	111.3	P438 D475 G479 I480 R481	P438-Q477 HydrophobicContact CB-CG 4.11Å; P438-Q477 HydrophobicContact CG-CG 4.22Å; D475-Q477 VanDerWaalsContact C-N 3.26Å; D475-Q477 PolarHBondContact O-N 2.9Å; D475-Q477 WeakPolarHBondContact OD1-CB 3.28Å; D475-Q477 PolarHBondContact OD1-N 3.43Å; Q477-G479 VanDerWaalsContact C-N 3.3Å; Q477-G479 PolarHBondContact O-N 2.94Å; Q477-I480 HydrophobicContact CB-CB 4.23Å; Q477-I480 HydrophobicContact CB-CD1 3.93Å; Q477-I480 HydrophobicContact CB-CG1 3.89Å; Q477-I480 HydrophobicContact CG-CD1 4.24Å; Q477-I480 PolarHBondContact O-N 3.25Å; Q477-I480 VanDerWaalsContact O-N 3.14Å; Q477-R481 PolarHBondContact O-N 3.37Å; Q477-R481 VanDerWaalsContact O-N 3.16Å
478	G	96.9	Very high	97.2	Very high	10 Å²	10	30.6 Å²	30.6	10%	0.103	17%	0.171	C	C	.	.	H	α-helix	trans	-55.8	-42.4	179.5	0	0	0	0	0	113.3	I480 R481 T482 F516	G478-I480 VanDerWaalsContact C-N 3.33Å; G478-I480 PolarHBondContact O-N 2.87Å; G478-R481 WeakPolarHBondContact O-CB 3.32Å; G478-R481 PolarHBondContact O-N 3.08Å; G478-T482 PolarHBondContact O-N 2.92Å; G478-T482 PolarHBondContact O-OG1 3.47Å; G478-T482 VanDerWaalsContact O-OG1 3.13Å; G478-F516 VanDerWaalsContact CA-CD1 3.45Å; G478-F516 WeakPolarHBondContact O-CD1 3.22Å
479	G	96.5	Very high	97.2	Very high	21 Å²	21	31 Å²	31	22%	0.216	17%	0.174	C	C	.	.	H	α-helix	trans	-61.2	-37.7	177.8	0	0	0	0	0	113.5	Q477 T482 N483	Q477-G479 VanDerWaalsContact C-N 3.3Å; Q477-G479 PolarHBondContact O-N 2.94Å; G479-T482 WeakPolarHBondContact O-CB 3.47Å; G479-T482 PolarHBondContact O-N 3.17Å; G479-N483 PolarHBondContact O-N 2.73Å
480	I	97.9	Very high	97.2	Very high	4 Å²	4	32 Å²	32	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-69.2	-39.7	176.6	-59.6	-177.5	0	0	0	110.5	P438 R441 E442 L471 D475 Q477 G478 T482 N483 A484	P438-I480 HydrophobicContact CB-CD1 3.87Å; P438-I480 WeakPolarHBondContact O-CD1 3.42Å; R441-I480 HydrophobicContact CB-CD1 4.3Å; E442-I480 HydrophobicContact CB-CD1 4.26Å; E442-I480 HydrophobicContact CB-CG1 4.15Å; L471-I480 HydrophobicContact CD1-CG2 4.02Å; L471-I480 HydrophobicContact CD2-CG2 3.5Å; L471-I480 HydrophobicContact CG-CG2 3.64Å; D475-I480 HydrophobicContact CB-CB 4.43Å; D475-I480 HydrophobicContact CB-CG2 4.27Å; D475-I480 WeakPolarHBondContact OD2-CG2 3.22Å; Q477-I480 HydrophobicContact CB-CB 4.23Å; Q477-I480 HydrophobicContact CB-CD1 3.93Å; Q477-I480 HydrophobicContact CB-CG1 3.89Å; Q477-I480 HydrophobicContact CG-CD1 4.24Å; Q477-I480 PolarHBondContact O-N 3.25Å; Q477-I480 VanDerWaalsContact O-N 3.14Å; G478-I480 VanDerWaalsContact C-N 3.33Å; G478-I480 PolarHBondContact O-N 2.87Å; I480-T482 VanDerWaalsContact C-N 3.31Å; I480-T482 PolarHBondContact O-N 3.14Å; I480-N483 PolarHBondContact O-N 2.95Å; I480-A484 WeakPolarHBondContact O-CB 3.47Å; I480-A484 PolarHBondContact O-N 3Å
481	R	98.3	Very high	97.1	Very high	26 Å²	26	28.9 Å²	28.9	10%	0.098	16%	0.158	C	C	.	.	H	α-helix	trans	-59.8	-42.7	173.2	-61.5	-163.7	-58.7	-85.1	2.8	111.4	Q472 D475 A476 Q477 G478 A484 T485 D514 N519	Q472-R481 VanDerWaalsContact O-CD 3.27Å; Q472-R481 WeakPolarHBondContact O-CD 3.48Å; Q472-R481 WeakPolarHBondContact O-CG 3.41Å; D475-R481 HydrophobicContact CB-CG 3.96Å; D475-R481 VanDerWaalsContact O-CD 3.29Å; D475-R481 WeakPolarHBondContact O-CD 3.31Å; D475-R481 PolarHBondContact O-NH1 3.38Å; A476-R481 PolarHBondContact O-NH1 2.93Å; A476-R481 VanDerWaalsContact O-NH1 3.12Å; Q477-R481 PolarHBondContact O-N 3.37Å; Q477-R481 VanDerWaalsContact O-N 3.16Å; G478-R481 WeakPolarHBondContact O-CB 3.32Å; G478-R481 PolarHBondContact O-N 3.08Å; R481-A484 PolarHBondContact O-N 3.32Å; R481-T485 PolarHBondContact O-N 3.33Å; R481-T485 PolarHBondContact O-OG1 3.2Å; R481-D514 IonicContact CZ-OD1 3.85Å; R481-D514 IonicContact CZ-OD2 3.01Å; R481-D514 IonicContact NE-OD1 2.73Å; R481-D514 PolarHBondContact NE-OD1 2.87Å; R481-D514 IonicContact NE-OD2 3.66Å; R481-D514 PolarHBondContact NE-OD2 3.25Å; R481-D514 IonicContact NH2-OD1 3.55Å; R481-D514 PolarHBondContact NH2-OD1 3.18Å; R481-D514 IonicContact NH2-OD2 3.67Å; R481-N519 PolarHBondContact O-OD1 3.14Å
482	T	98.3	Very high	97.1	Very high	8 Å²	8	28.4 Å²	28.4	5%	0.049	16%	0.155	C	C	.	.	H	α-helix	trans	-59.6	-49.5	173.2	-55.8	0	0	0	0	112	G478 G479 I480 A484 T485 V486 P518 N519 A522	G478-T482 PolarHBondContact O-N 2.92Å; G478-T482 PolarHBondContact O-OG1 3.47Å; G478-T482 VanDerWaalsContact O-OG1 3.13Å; G479-T482 WeakPolarHBondContact O-CB 3.47Å; G479-T482 PolarHBondContact O-N 3.17Å; I480-T482 VanDerWaalsContact C-N 3.31Å; I480-T482 PolarHBondContact O-N 3.14Å; T482-A484 VanDerWaalsContact C-N 3.29Å; T482-A484 PolarHBondContact O-N 3.18Å; T482-T485 WeakPolarHBondContact O-CB 3.21Å; T482-T485 PolarHBondContact O-N 2.55Å; T482-T485 VanDerWaalsContact O-N 3.11Å; T482-V486 WeakPolarHBondContact O-CG2 3.33Å; T482-V486 PolarHBondContact O-N 2.84Å; T482-P518 HydrophobicContact CG2-CB 4.32Å; T482-N519 WeakPolarHBondContact CA-OD1 3.46Å; T482-N519 PolarHBondContact N-OD1 2.83Å; T482-N519 WeakPolarHBondContact OG1-CA 3.35Å; T482-N519 WeakPolarHBondContact OG1-CB 3.44Å; T482-N519 PolarHBondContact OG1-N 3.49Å; T482-A522 HydrophobicContact CG2-CB 3.9Å
483	N	96.4	Very high	96.9	Very high	17 Å²	17	31.3 Å²	31.3	9%	0.091	18%	0.176	C	C	.	.	H	α-helix	trans	-60.6	-38.2	178.4	-74.5	-20.3	0	0	0	112.1	E442 V445 G479 I480 V486 C487	E442-N483 PolarHBondContact OE1-ND2 3.03Å; E442-N483 VanDerWaalsContact OE1-ND2 3.11Å; V445-N483 HydrophobicContact CG1-CB 4.02Å; G479-N483 PolarHBondContact O-N 2.73Å; I480-N483 PolarHBondContact O-N 2.95Å; N483-V486 PolarHBondContact O-N 2.6Å; N483-C487 WeakPolarHBondContact O-CB 3.31Å; N483-C487 PolarHBondContact O-N 3.19Å
484	A	98.4	Very high	96.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.9	-42	174.2	0	0	0	0	0	112.2	V445 I468 L471 Q472 I480 R481 T482 C487 L488	V445-A484 HydrophobicContact CG2-CB 4.25Å; I468-A484 HydrophobicContact CG2-CB 3.81Å; I468-A484 WeakPolarHBondContact CG2-O 3.49Å; L471-A484 HydrophobicContact CB-CB 4.34Å; L471-A484 HydrophobicContact CD2-CB 4.36Å; Q472-A484 HydrophobicContact CB-CB 3.8Å; Q472-A484 HydrophobicContact CG-CB 4.43Å; I480-A484 WeakPolarHBondContact O-CB 3.47Å; I480-A484 PolarHBondContact O-N 3Å; R481-A484 PolarHBondContact O-N 3.32Å; T482-A484 VanDerWaalsContact C-N 3.29Å; T482-A484 PolarHBondContact O-N 3.18Å; A484-C487 PolarHBondContact O-N 3.25Å; A484-L488 WeakPolarHBondContact O-CG 3.25Å; A484-L488 PolarHBondContact O-N 2.93Å
485	T	98.4	Very high	96.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.3	-48.9	174.1	-60.6	0	0	0	0	111.9	Q472 R481 T482 C487 L488 A489 F508 N519 A522 A523 A526	Q472-T485 WeakPolarHBondContact CG-OG1 3.31Å; Q472-T485 PolarHBondContact NE2-OG1 2.86Å; R481-T485 PolarHBondContact O-N 3.33Å; R481-T485 PolarHBondContact O-OG1 3.2Å; T482-T485 WeakPolarHBondContact O-CB 3.21Å; T482-T485 PolarHBondContact O-N 2.55Å; T482-T485 VanDerWaalsContact O-N 3.11Å; T485-C487 PolarHBondContact O-N 2.97Å; T485-L488 PolarHBondContact O-N 3.35Å; T485-A489 PolarHBondContact O-N 3.33Å; T485-A489 VanDerWaalsContact O-N 3.09Å; T485-F508 HydrophobicContact CG2-CD1 4.07Å; T485-F508 HydrophobicContact CG2-CE1 4.19Å; T485-N519 WeakPolarHBondContact CB-OD1 3.36Å; T485-N519 PolarHBondContact OG1-OD1 2.81Å; T485-A522 HydrophobicContact CG2-CB 3.98Å; T485-A523 HydrophobicContact CG2-CB 4.35Å; T485-A526 HydrophobicContact CG2-CB 4.2Å
486	V	97.7	Very high	96.6	Very high	22 Å²	22	25.7 Å²	25.7	13%	0.133	15%	0.154	C	C	.	.	H	α-helix	trans	-63.8	-42.2	178.8	175.5	0	0	0	0	111	T482 N483 A489 K490 A522 L619	T482-V486 WeakPolarHBondContact O-CG2 3.33Å; T482-V486 PolarHBondContact O-N 2.84Å; N483-V486 PolarHBondContact O-N 2.6Å; V486-A489 PolarHBondContact O-N 3.09Å; V486-K490 HydrophobicContact CG1-CD 4.19Å; V486-K490 HydrophobicContact CG1-CG 4.42Å; V486-K490 WeakPolarHBondContact O-CG 3.47Å; V486-K490 PolarHBondContact O-N 2.79Å; V486-A522 HydrophobicContact CG2-CB 4.05Å; V486-L619 HydrophobicContact CB-CD2 4.41Å; V486-L619 HydrophobicContact CG1-CB 4.45Å; V486-L619 HydrophobicContact CG1-CD2 4.22Å; V486-L619 HydrophobicContact CG2-CD2 4.02Å
487	C	97.6	Very high	96.5	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.007	14%	0.144	C	C	.	.	H	α-helix	trans	-61.5	-45.5	177.3	-174.7	0	0	0	0	111.6	V445 N483 A484 T485 A489 K490 L491	V445-C487 HydrophobicContact CG2-CB 3.83Å; V445-C487 PolarHBondContact O-SG 3Å; N483-C487 WeakPolarHBondContact O-CB 3.31Å; N483-C487 PolarHBondContact O-N 3.19Å; A484-C487 PolarHBondContact O-N 3.25Å; T485-C487 PolarHBondContact O-N 2.97Å; C487-A489 VanDerWaalsContact C-N 3.29Å; C487-A489 PolarHBondContact O-N 2.7Å; C487-K490 PolarHBondContact O-N 3.36Å; C487-L491 WeakPolarHBondContact O-CB 3.46Å; C487-L491 WeakPolarHBondContact O-CG 3.43Å; C487-L491 PolarHBondContact O-N 3.45Å
488	L	97.2	Very high	96.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-57.8	-41.4	173.9	-77	174.1	0	0	0	112.3	I465 I468 T469 A484 T485 A492 A507 F508	I465-L488 HydrophobicContact CD1-CD2 3.55Å; I468-L488 HydrophobicContact CB-CD2 3.87Å; I468-L488 HydrophobicContact CB-CG 4.17Å; I468-L488 HydrophobicContact CD1-CD2 4.22Å; I468-L488 HydrophobicContact CG2-CD1 4.09Å; I468-L488 HydrophobicContact CG2-CD2 3.79Å; I468-L488 HydrophobicContact CG2-CG 3.51Å; T469-L488 HydrophobicContact CG2-CD1 3.92Å; T469-L488 HydrophobicContact CG2-CD2 4.39Å; A484-L488 WeakPolarHBondContact O-CG 3.25Å; A484-L488 PolarHBondContact O-N 2.93Å; T485-L488 PolarHBondContact O-N 3.35Å; L488-A492 PolarHBondContact O-N 3.24Å; L488-A507 HydrophobicContact CD1-CB 4.02Å; L488-F508 HydrophobicContact CB-CE1 3.7Å; L488-F508 HydrophobicContact CB-CZ 3.87Å; L488-F508 HydrophobicContact CD1-CE1 4.42Å
489	A	97.1	Very high	96.2	Very high	8 Å²	8	29.9 Å²	29.9	7%	0.066	16%	0.162	C	C	.	.	H	α-helix	trans	-67	-45.8	179.6	0	0	0	0	0	111.6	T485 V486 C487 L491 A492 F508 A526 L619	T485-A489 PolarHBondContact O-N 3.33Å; T485-A489 VanDerWaalsContact O-N 3.09Å; V486-A489 PolarHBondContact O-N 3.09Å; C487-A489 VanDerWaalsContact C-N 3.29Å; C487-A489 PolarHBondContact O-N 2.7Å; A489-L491 VanDerWaalsContact C-N 3.29Å; A489-L491 PolarHBondContact O-N 3.44Å; A489-A492 VanDerWaalsContact O-CB 3.23Å; A489-A492 WeakPolarHBondContact O-CB 3.26Å; A489-A492 PolarHBondContact O-N 3.36Å; A489-F508 HydrophobicContact CB-CE1 4.4Å; A489-F508 HydrophobicContact CB-CZ 3.93Å; A489-A526 HydrophobicContact CB-CB 3.76Å; A489-L619 HydrophobicContact CB-CD1 3.61Å; A489-L619 HydrophobicContact CB-CD2 4.24Å
490	K	95.6	Very high	96.1	Very high	42 Å²	42	29.4 Å²	29.4	18%	0.183	16%	0.155	C	C	.	.	H	α-helix	trans	-64	-34.1	177.4	-72.7	-174.5	177.2	-173.8	0	112.9	I449 V486 C487 L619	I449-K490 HydrophobicContact CD1-CD 3.83Å; I449-K490 HydrophobicContact CG1-CD 4.46Å; V486-K490 HydrophobicContact CG1-CD 4.19Å; V486-K490 HydrophobicContact CG1-CG 4.42Å; V486-K490 WeakPolarHBondContact O-CG 3.47Å; V486-K490 PolarHBondContact O-N 2.79Å; C487-K490 PolarHBondContact O-N 3.36Å; K490-L619 WeakPolarHBondContact CE-O 3.43Å; K490-L619 PolarHBondContact NZ-O 3.46Å
491	L	96.3	Very high	96	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-88	-4.5	179.8	-65.1	-176.2	0	0	0	113.7	M448 A452 L464 I468 C487 A489 S493 Y494 F495	M448-L491 HydrophobicContact CB-CD1 4.23Å; A452-L491 HydrophobicContact CB-CD1 3.75Å; A452-L491 HydrophobicContact CB-CD2 3.48Å; A452-L491 VanDerWaalsContact CB-CD2 3.48Å; A452-L491 HydrophobicContact CB-CG 4.23Å; L464-L491 HydrophobicContact CD2-CD1 4.07Å; I468-L491 HydrophobicContact CD1-CD1 4.19Å; C487-L491 WeakPolarHBondContact O-CB 3.46Å; C487-L491 WeakPolarHBondContact O-CG 3.43Å; C487-L491 PolarHBondContact O-N 3.45Å; A489-L491 VanDerWaalsContact C-N 3.29Å; A489-L491 PolarHBondContact O-N 3.44Å; L491-S493 PolarHBondContact O-N 3.14Å; L491-S493 VanDerWaalsContact O-N 3.09Å; L491-Y494 HydrophobicContact CD2-CD2 4.01Å; L491-Y494 HydrophobicContact CD2-CE2 4.31Å; L491-Y494 PolarHBondContact O-N 2.87Å; L491-F495 HydrophobicContact CB-CD2 4.4Å; L491-F495 HydrophobicContact CB-CE2 3.61Å; L491-F495 HydrophobicContact CB-CZ 4.4Å; L491-F495 WeakPolarHBondContact O-CD2 3.42Å; L491-F495 WeakPolarHBondContact O-CE2 3.39Å
492	A	95.1	Very high	95.9	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.008	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-51.7	-39.8	-172.3	0	0	0	0	0	112.8	L488 A489 Y494 F495 Q500 T530 Y533	L488-A492 PolarHBondContact O-N 3.24Å; A489-A492 VanDerWaalsContact O-CB 3.23Å; A489-A492 WeakPolarHBondContact O-CB 3.26Å; A489-A492 PolarHBondContact O-N 3.36Å; A492-Y494 VanDerWaalsContact C-N 3.27Å; A492-Y494 PolarHBondContact O-N 3.26Å; A492-F495 PolarHBondContact O-N 3.37Å; A492-Q500 PolarHBondContact O-NE2 2.73Å; A492-T530 HydrophobicContact CB-CG2 3.72Å; A492-Y533 HydrophobicContact CB-CD2 4.11Å; A492-Y533 HydrophobicContact CB-CE2 3.72Å
493	S	93.7	Very high	95.7	Very high	65 Å²	65	35.1 Å²	35.1	46%	0.455	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-64.3	-23.9	179.8	59.8	0	0	0	0	114.7	L491 Y533	L491-S493 PolarHBondContact O-N 3.14Å; L491-S493 VanDerWaalsContact O-N 3.09Å; S493-Y533 WeakPolarHBondContact CB-OH 3.3Å
494	Y	93.6	Very high	95.6	Very high	103 Å²	103	34.3 Å²	34.3	40%	0.404	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-86	-13.5	179.3	-63.5	-79.9	0	0	0	113.2	P453 L491 A492	P453-Y494 HydrophobicContact CB-CE1 3.82Å; P453-Y494 HydrophobicContact CG-CE1 4.07Å; P453-Y494 HydrophobicContact CG-CE2 4.18Å; L491-Y494 HydrophobicContact CD2-CD2 4.01Å; L491-Y494 HydrophobicContact CD2-CE2 4.31Å; L491-Y494 PolarHBondContact O-N 2.87Å; A492-Y494 VanDerWaalsContact C-N 3.27Å; A492-Y494 PolarHBondContact O-N 3.26Å
495	F	95.2	Very high	95.6	Very high	9 Å²	9	34.4 Å²	34.4	4%	0.039	19%	0.193	C	C	.	.	S	Bend	trans	-87	156.2	177.3	-64.6	-80.5	0	0	0	111.7	L460 L464 I465 L491 A492 T499 Q500 I504	L460-F495 HydrophobicContact CB-CD1 4.39Å; L460-F495 HydrophobicContact CB-CE1 4.28Å; L460-F495 VanDerWaalsContact O-CE1 3.32Å; L460-F495 WeakPolarHBondContact O-CE1 3.46Å; L464-F495 HydrophobicContact CD2-CZ 4.38Å; I465-F495 HydrophobicContact CB-CD1 4.5Å; I465-F495 HydrophobicContact CB-CE1 3.88Å; I465-F495 HydrophobicContact CB-CZ 4.49Å; I465-F495 HydrophobicContact CD1-CE1 4.45Å; I465-F495 HydrophobicContact CD1-CZ 4.48Å; L491-F495 HydrophobicContact CB-CD2 4.4Å; L491-F495 HydrophobicContact CB-CE2 3.61Å; L491-F495 HydrophobicContact CB-CZ 4.4Å; L491-F495 WeakPolarHBondContact O-CD2 3.42Å; L491-F495 WeakPolarHBondContact O-CE2 3.39Å; A492-F495 PolarHBondContact O-N 3.37Å; F495-T499 HydrophobicContact CB-CG2 4.08Å; F495-T499 HydrophobicContact CD1-CG2 3.89Å; F495-T499 HydrophobicContact CG-CG2 4.19Å; F495-Q500 HydrophobicContact CB-CG 4.27Å; F495-Q500 PolarHBondContact O-NE2 3.31Å; F495-Q500 VanDerWaalsContact O-NE2 3.16Å; F495-I504 HydrophobicContact CB-CD1 3.85Å; F495-I504 HydrophobicContact CD1-CD1 4.43Å; F495-I504 HydrophobicContact CD2-CD1 3.44Å; F495-I504 VanDerWaalsContact CD2-CD1 3.44Å; F495-I504 HydrophobicContact CE2-CD1 4.04Å; F495-I504 HydrophobicContact CG-CD1 3.67Å
496	S	94.5	Very high	95.5	Very high	43 Å²	43	35.9 Å²	35.9	30%	0.301	21%	0.208	S	C	.	.			trans	-67.3	154.5	173.8	73.3	0	0	0	0	111	N461 Q498 T499 Q500	N461-S496 PolarHBondContact OD1-N 3.41Å; N461-S496 PolarHBondContact OD1-OG 2.77Å; S496-Q498 PolarHBondContact O-N 3.32Å; S496-T499 WeakPolarHBondContact O-CA 3.41Å; S496-T499 WeakPolarHBondContact O-CB 3.41Å; S496-T499 PolarHBondContact O-N 3.1Å; S496-T499 PolarHBondContact OG-N 3.05Å; S496-T499 PolarHBondContact OG-OG1 2.94Å; S496-T499 VanDerWaalsContact OG-OG1 3.07Å; S496-Q500 WeakPolarHBondContact O-CG 3.48Å; S496-Q500 PolarHBondContact O-N 3.3Å
497	T	93.7	Very high	95.5	Very high	82 Å²	82	34.8 Å²	34.8	50%	0.503	20%	0.201	S	C	.	.	H	α-helix	trans	-55.4	-36	177.2	-50.5	0	0	0	0	112.8	T499 Q500 Q501	T497-T499 PolarHBondContact O-N 2.92Å; T497-Q500 PolarHBondContact O-N 2.93Å; T497-Q501 HydrophobicContact CG2-CG 4.3Å; T497-Q501 WeakPolarHBondContact O-CB 3.46Å; T497-Q501 WeakPolarHBondContact O-CG 3.15Å; T497-Q501 PolarHBondContact O-N 2.9Å
498	Q	93.8	Very high	95.6	Very high	164 Å²	164	34.8 Å²	34.8	77%	0.766	20%	0.201	S	C	*	.	H	α-helix	trans	-62.5	-42.9	175	-172.6	-177.2	45.6	0	0	111.8	S496 G502	S496-Q498 PolarHBondContact O-N 3.32Å; Q498-G502 PolarHBondContact O-N 3.34Å
499	T	94.4	Very high	95.6	Very high	10 Å²	10	36.1 Å²	36.1	6%	0.061	21%	0.208	C	C	.	.	H	α-helix	trans	-69.4	-39.6	177.5	-56	0	0	0	0	111.6	N461 I465 F495 S496 T497 P503 I504	N461-T499 WeakPolarHBondContact OD1-CB 3.21Å; N461-T499 PolarHBondContact OD1-OG1 2.87Å; I465-T499 HydrophobicContact CB-CG2 4.36Å; I465-T499 HydrophobicContact CD1-CG2 4.31Å; I465-T499 HydrophobicContact CG1-CG2 3.9Å; F495-T499 HydrophobicContact CB-CG2 4.08Å; F495-T499 HydrophobicContact CD1-CG2 3.89Å; F495-T499 HydrophobicContact CG-CG2 4.19Å; S496-T499 WeakPolarHBondContact O-CA 3.41Å; S496-T499 WeakPolarHBondContact O-CB 3.41Å; S496-T499 PolarHBondContact O-N 3.1Å; S496-T499 PolarHBondContact OG-N 3.05Å; S496-T499 PolarHBondContact OG-OG1 2.94Å; S496-T499 VanDerWaalsContact OG-OG1 3.07Å; T497-T499 PolarHBondContact O-N 2.92Å; T499-P503 HydrophobicContact CG2-CB 4.5Å; T499-P503 HydrophobicContact CG2-CG 4.48Å; T499-P503 WeakPolarHBondContact O-CD 3.5Å; T499-I504 HydrophobicContact CG2-CD1 4.11Å; T499-I504 HydrophobicContact CG2-CG1 4.24Å; T499-I504 PolarHBondContact O-N 3.03Å
500	Q	95.7	Very high	95.6	Very high	11 Å²	11	42.1 Å²	42.1	5%	0.051	23%	0.229	C	C	.	.	I	π-helix	trans	-58.9	-52.8	175.4	-69.3	168.6	-13.2	0	0	111.4	A492 F495 S496 T497 I504 L505 Y533	A492-Q500 PolarHBondContact O-NE2 2.73Å; F495-Q500 HydrophobicContact CB-CG 4.27Å; F495-Q500 PolarHBondContact O-NE2 3.31Å; F495-Q500 VanDerWaalsContact O-NE2 3.16Å; S496-Q500 WeakPolarHBondContact O-CG 3.48Å; S496-Q500 PolarHBondContact O-N 3.3Å; T497-Q500 PolarHBondContact O-N 2.93Å; Q500-I504 HydrophobicContact CG-CD1 4.48Å; Q500-L505 PolarHBondContact O-N 3.36Å; Q500-L505 VanDerWaalsContact O-N 3.11Å; Q500-Y533 HydrophobicContact CG-CG 4.47Å
501	Q	95.4	Very high	95.7	Very high	54 Å²	54	40.3 Å²	40.3	25%	0.252	22%	0.222	S	C	.	.	I	π-helix	trans	-79.8	-18.1	-174.7	-68.2	-178.8	2.3	0	0	114.1	T497 Y533 Y534 L538	T497-Q501 HydrophobicContact CG2-CG 4.3Å; T497-Q501 WeakPolarHBondContact O-CB 3.46Å; T497-Q501 WeakPolarHBondContact O-CG 3.15Å; T497-Q501 PolarHBondContact O-N 2.9Å; Q501-Y533 VanDerWaalsContact CG-O 3.24Å; Q501-Y533 WeakPolarHBondContact CG-O 3.41Å; Q501-Y533 PolarHBondContact NE2-O 3.46Å; Q501-Y534 HydrophobicContact CG-CD1 4.27Å; Q501-L538 HydrophobicContact CB-CD1 3.68Å; Q501-L538 HydrophobicContact CG-CD1 3.73Å
502	G	94.6	Very high	95.7	Very high	34 Å²	34	40.3 Å²	40.3	35%	0.351	22%	0.222	S	C	.	.	I	π-helix	trans	-102	-98	177.5	0	0	0	0	0	112.4	Q498 I504 G506	Q498-G502 PolarHBondContact O-N 3.34Å; G502-I504 PolarHBondContact O-N 3.1Å; G502-G506 PolarHBondContact O-N 3.06Å
503	P	94.4	Very high	95.7	Very high	69 Å²	69	49.2 Å²	49.2	45%	0.448	26%	0.256	S	S	.	.	I	π-helix	trans	-50.6	-46.7	-176.9	-29.4	33.1	0	0	0	115.7	I465 T499 G506 A507	I465-P503 HydrophobicContact CG1-CB 4.06Å; T499-P503 HydrophobicContact CG2-CB 4.5Å; T499-P503 HydrophobicContact CG2-CG 4.48Å; T499-P503 WeakPolarHBondContact O-CD 3.5Å; P503-G506 PolarHBondContact O-N 3.25Å; P503-A507 WeakPolarHBondContact O-CB 3.43Å; P503-A507 PolarHBondContact O-N 2.79Å
504	I	96	Very high	95.9	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	24%	0.24	C	C	.	.	I	π-helix	trans	-68.4	-51.7	-175.3	-68.2	175	0	0	0	110.7	I465 F495 T499 Q500 G502 G506 A507 F508	I465-I504 HydrophobicContact CD1-CD1 4.15Å; I465-I504 HydrophobicContact CD1-CG1 3.47Å; I465-I504 VanDerWaalsContact CD1-CG1 3.47Å; F495-I504 HydrophobicContact CB-CD1 3.85Å; F495-I504 HydrophobicContact CD1-CD1 4.43Å; F495-I504 HydrophobicContact CD2-CD1 3.44Å; F495-I504 VanDerWaalsContact CD2-CD1 3.44Å; F495-I504 HydrophobicContact CE2-CD1 4.04Å; F495-I504 HydrophobicContact CG-CD1 3.67Å; T499-I504 HydrophobicContact CG2-CD1 4.11Å; T499-I504 HydrophobicContact CG2-CG1 4.24Å; T499-I504 PolarHBondContact O-N 3.03Å; Q500-I504 HydrophobicContact CG-CD1 4.48Å; G502-I504 PolarHBondContact O-N 3.1Å; I504-G506 VanDerWaalsContact C-N 3.3Å; I504-G506 PolarHBondContact O-N 3.14Å; I504-A507 WeakPolarHBondContact O-CA 3.29Å; I504-A507 VanDerWaalsContact O-CB 3.26Å; I504-A507 WeakPolarHBondContact O-CB 3.3Å; I504-A507 PolarHBondContact O-N 2.9Å; I504-F508 HydrophobicContact CG2-CD2 3.98Å; I504-F508 HydrophobicContact CG2-CE1 4.48Å; I504-F508 HydrophobicContact CG2-CE2 3.33Å; I504-F508 HydrophobicContact CG2-CZ 3.62Å; I504-F508 PolarHBondContact O-N 2.98Å
505	L	97.4	Very high	96	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-54.8	-47.4	174.8	176.7	58.4	0	0	0	111.1	Q500 A507 F508 L509 L527 Y534 L538 K542 V543	Q500-L505 PolarHBondContact O-N 3.36Å; Q500-L505 VanDerWaalsContact O-N 3.11Å; L505-A507 PolarHBondContact O-N 2.88Å; L505-F508 PolarHBondContact O-N 3.02Å; L505-L509 HydrophobicContact CD1-CD1 3.96Å; L505-L509 HydrophobicContact CD1-CD2 4.32Å; L505-L509 HydrophobicContact CD1-CG 3.94Å; L505-L509 HydrophobicContact CG-CD1 3.91Å; L505-L509 HydrophobicContact CG-CG 4.33Å; L505-L509 VanDerWaalsContact O-CG 3.25Å; L505-L509 WeakPolarHBondContact O-CG 3.41Å; L505-L509 PolarHBondContact O-N 3.49Å; L505-L527 HydrophobicContact CD1-CD2 3.8Å; L505-Y534 HydrophobicContact CB-CD1 4.46Å; L505-Y534 HydrophobicContact CB-CE1 3.79Å; L505-Y534 HydrophobicContact CD1-CD1 4.46Å; L505-Y534 HydrophobicContact CD1-CD2 4.3Å; L505-Y534 HydrophobicContact CD1-CE1 4.06Å; L505-Y534 HydrophobicContact CD1-CE2 3.88Å; L505-Y534 HydrophobicContact CD2-CD1 4.2Å; L505-Y534 HydrophobicContact CD2-CE1 4.33Å; L505-Y534 HydrophobicContact CG-CE1 4.27Å; L505-L538 HydrophobicContact CD2-CB 4.23Å; L505-L538 HydrophobicContact CD2-CD1 4.32Å; L505-L538 HydrophobicContact CD2-CD2 4.11Å; L505-L538 HydrophobicContact CD2-CG 4.46Å; L505-K542 HydrophobicContact CD2-CD 4.46Å; L505-V543 HydrophobicContact CD1-CG2 3.74Å
506	G	96.9	Very high	96.1	Very high	30 Å²	30	49.9 Å²	49.9	31%	0.309	27%	0.267	S	S	.	.	H	α-helix	trans	-63	-26.5	176.7	0	0	0	0	0	114.1	G502 P503 I504 R510	G502-G506 PolarHBondContact O-N 3.06Å; P503-G506 PolarHBondContact O-N 3.25Å; I504-G506 VanDerWaalsContact C-N 3.3Å; I504-G506 PolarHBondContact O-N 3.14Å; G506-R510 WeakPolarHBondContact O-CG 3.25Å; G506-R510 PolarHBondContact O-N 2.85Å; G506-R510 PolarHBondContact O-NE 3.07Å; G506-R510 VanDerWaalsContact O-NE 3.14Å
507	A	97.8	Very high	96.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-70.5	-51.2	172.3	0	0	0	0	0	111.4	T469 Q472 L488 P503 I504 L505 L509 R510 A511	T469-A507 HydrophobicContact CG2-CB 3.87Å; Q472-A507 PolarHBondContact OE1-O 3.19Å; L488-A507 HydrophobicContact CD1-CB 4.02Å; P503-A507 WeakPolarHBondContact O-CB 3.43Å; P503-A507 PolarHBondContact O-N 2.79Å; I504-A507 WeakPolarHBondContact O-CA 3.29Å; I504-A507 VanDerWaalsContact O-CB 3.26Å; I504-A507 WeakPolarHBondContact O-CB 3.3Å; I504-A507 PolarHBondContact O-N 2.9Å; L505-A507 PolarHBondContact O-N 2.88Å; A507-L509 PolarHBondContact O-N 3.25Å; A507-R510 PolarHBondContact O-N 3.21Å; A507-A511 PolarHBondContact O-N 3.24Å
508	F	98.4	Very high	96.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.1	-43.7	178.8	-60.5	-33.1	0	0	0	112.8	T485 L488 A489 I504 L505 R510 A511 T512 A526 L527 T530 Y534	T485-F508 HydrophobicContact CG2-CD1 4.07Å; T485-F508 HydrophobicContact CG2-CE1 4.19Å; L488-F508 HydrophobicContact CB-CE1 3.7Å; L488-F508 HydrophobicContact CB-CZ 3.87Å; L488-F508 HydrophobicContact CD1-CE1 4.42Å; A489-F508 HydrophobicContact CB-CE1 4.4Å; A489-F508 HydrophobicContact CB-CZ 3.93Å; I504-F508 HydrophobicContact CG2-CD2 3.98Å; I504-F508 HydrophobicContact CG2-CE1 4.48Å; I504-F508 HydrophobicContact CG2-CE2 3.33Å; I504-F508 HydrophobicContact CG2-CZ 3.62Å; I504-F508 PolarHBondContact O-N 2.98Å; L505-F508 PolarHBondContact O-N 3.02Å; F508-R510 PolarHBondContact O-N 3.41Å; F508-A511 PolarHBondContact O-N 3.29Å; F508-A511 VanDerWaalsContact O-N 3.07Å; F508-T512 WeakPolarHBondContact O-CG2 3.26Å; F508-T512 PolarHBondContact O-N 3.12Å; F508-T512 VanDerWaalsContact O-N 3.12Å; F508-A526 HydrophobicContact CD1-CB 3.72Å; F508-A526 HydrophobicContact CD2-CB 4.1Å; F508-A526 HydrophobicContact CE1-CB 3.63Å; F508-A526 HydrophobicContact CE2-CB 4Å; F508-A526 HydrophobicContact CG-CB 3.98Å; F508-A526 HydrophobicContact CZ-CB 3.79Å; F508-L527 HydrophobicContact CB-CD2 3.68Å; F508-L527 HydrophobicContact CB-CG 3.85Å; F508-L527 HydrophobicContact CD2-CD2 4.34Å; F508-T530 HydrophobicContact CE2-CG2 3.95Å; F508-Y534 WeakPolarHBondContact CD2-OH 3.3Å
509	L	98.2	Very high	96.5	Very high	29 Å²	29	40 Å²	40	15%	0.152	22%	0.215	C	C	.	.	H	α-helix	trans	-61.9	-27.4	177.4	-65.1	174.5	0	0	0	113.3	L505 A507 T512 L527 K542 C546	L505-L509 HydrophobicContact CD1-CD1 3.96Å; L505-L509 HydrophobicContact CD1-CD2 4.32Å; L505-L509 HydrophobicContact CD1-CG 3.94Å; L505-L509 HydrophobicContact CG-CD1 3.91Å; L505-L509 HydrophobicContact CG-CG 4.33Å; L505-L509 VanDerWaalsContact O-CG 3.25Å; L505-L509 WeakPolarHBondContact O-CG 3.41Å; L505-L509 PolarHBondContact O-N 3.49Å; A507-L509 PolarHBondContact O-N 3.25Å; L509-T512 PolarHBondContact O-OG1 3.11Å; L509-L527 HydrophobicContact CD2-CD1 4.19Å; L509-L527 HydrophobicContact CD2-CD2 4.06Å; L509-L527 HydrophobicContact CG-CD2 4.47Å; L509-K542 HydrophobicContact CD1-CB 4.02Å; L509-C546 HydrophobicContact CD2-CB 3.6Å
510	R	97.1	Very high	96.6	Very high	133 Å²	133	40.9 Å²	40.9	50%	0.502	22%	0.217	S	C	.	.	H	α-helix	trans	-78.8	-40.1	172.4	-75.1	-176.9	-64.6	146.9	1.5	111.5	G506 A507 F508 T512 R513	G506-R510 WeakPolarHBondContact O-CG 3.25Å; G506-R510 PolarHBondContact O-N 2.85Å; G506-R510 PolarHBondContact O-NE 3.07Å; G506-R510 VanDerWaalsContact O-NE 3.14Å; A507-R510 PolarHBondContact O-N 3.21Å; F508-R510 PolarHBondContact O-N 3.41Å; R510-T512 PolarHBondContact O-N 3.16Å; R510-R513 PolarHBondContact O-N 3.08Å; R510-R513 VanDerWaalsContact O-N 3.07Å
511	A	97.6	Very high	96.6	Very high	5 Å²	5	43 Å²	43	4%	0.041	23%	0.227	C	C	.	.	H	α-helix	trans	-65.4	-23.6	-178.7	0	0	0	0	0	113.4	A507 F508 R513 D514 A523	A507-A511 PolarHBondContact O-N 3.24Å; F508-A511 PolarHBondContact O-N 3.29Å; F508-A511 VanDerWaalsContact O-N 3.07Å; A511-R513 PolarHBondContact O-N 3.03Å; A511-R513 VanDerWaalsContact O-N 3.12Å; A511-D514 WeakPolarHBondContact O-CB 3.42Å; A511-D514 PolarHBondContact O-N 3.49Å; A511-D514 VanDerWaalsContact O-N 3.11Å; A511-A523 HydrophobicContact CB-CB 3.6Å
512	T	97.2	Very high	96.7	Very high	2 Å²	2	41 Å²	41	1%	0.012	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.2	171.3	59.9	0	0	0	0	113.5	F508 L509 R510 R520 A523 L527 C546 L550	F508-T512 WeakPolarHBondContact O-CG2 3.26Å; F508-T512 PolarHBondContact O-N 3.12Å; F508-T512 VanDerWaalsContact O-N 3.12Å; L509-T512 PolarHBondContact O-OG1 3.11Å; R510-T512 PolarHBondContact O-N 3.16Å; T512-R520 WeakPolarHBondContact O-CD 3.48Å; T512-A523 HydrophobicContact CG2-CB 3.86Å; T512-L527 HydrophobicContact CG2-CD1 3.71Å; T512-C546 PolarHBondContact OG1-SG 2.81Å; T512-L550 HydrophobicContact CG2-CD2 4.43Å
513	R	95.2	Very high	96.9	Very high	187 Å²	187	39.3 Å²	39.3	71%	0.706	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.8	12.8	178.5	-56	179.1	-176.1	-178.6	-1.9	112.8	R510 A511	R510-R513 PolarHBondContact O-N 3.08Å; R510-R513 VanDerWaalsContact O-N 3.07Å; A511-R513 PolarHBondContact O-N 3.03Å; A511-R513 VanDerWaalsContact O-N 3.12Å
514	D	96.6	Very high	97	Very high	22 Å²	22	36 Å²	36	12%	0.118	18%	0.181	C	C	.	.			trans	-64.9	139.6	-179.4	-160.1	-58.7	0	0	0	111.4	R481 A511 F516 N519 R520	R481-D514 IonicContact CZ-OD1 3.85Å; R481-D514 IonicContact CZ-OD2 3.01Å; R481-D514 IonicContact NE-OD1 2.73Å; R481-D514 PolarHBondContact NE-OD1 2.87Å; R481-D514 IonicContact NE-OD2 3.66Å; R481-D514 PolarHBondContact NE-OD2 3.25Å; R481-D514 IonicContact NH2-OD1 3.55Å; R481-D514 PolarHBondContact NH2-OD1 3.18Å; R481-D514 IonicContact NH2-OD2 3.67Å; A511-D514 WeakPolarHBondContact O-CB 3.42Å; A511-D514 PolarHBondContact O-N 3.49Å; A511-D514 VanDerWaalsContact O-N 3.11Å; D514-F516 PolarHBondContact O-N 2.89Å; D514-F516 WeakPolarHBondContact OD1-CB 3.2Å; D514-F516 PolarHBondContact OD1-N 3.23Å; D514-N519 HydrophobicContact CB-CB 4.01Å; D514-N519 PolarHBondContact OD2-ND2 2.67Å; D514-R520 HydrophobicContact CB-CG 4.18Å; D514-R520 WeakPolarHBondContact O-CD 3.46Å; D514-R520 WeakPolarHBondContact O-CG 3.5Å; D514-R520 PolarHBondContact O-NH1 3.45Å; D514-R520 VanDerWaalsContact O-NH1 3.15Å
515	S	95.1	Very high	97	Very high	105 Å²	105	36.4 Å²	36.4	73%	0.734	18%	0.183	S	C	*	.	S	Bend	trans	-56.3	-31.5	171.1	57.8	0	0	0	0	113.3
516	F	97.3	Very high	97	Very high	64 Å²	64	36.3 Å²	36.3	28%	0.281	18%	0.183	S	C	.	.	S	Bend	trans	-88.7	111.7	-176.9	-169.5	-118.9	0	0	0	110.7	G478 D514 P518 N519 R520 L626	G478-F516 VanDerWaalsContact CA-CD1 3.45Å; G478-F516 WeakPolarHBondContact O-CD1 3.22Å; D514-F516 PolarHBondContact O-N 2.89Å; D514-F516 WeakPolarHBondContact OD1-CB 3.2Å; D514-F516 PolarHBondContact OD1-N 3.23Å; F516-P518 HydrophobicContact CD1-CB 4.05Å; F516-P518 HydrophobicContact CD1-CG 4.05Å; F516-P518 HydrophobicContact CE1-CB 3.65Å; F516-P518 HydrophobicContact CE1-CG 3.52Å; F516-P518 HydrophobicContact CE2-CG 4.29Å; F516-P518 HydrophobicContact CZ-CB 4.29Å; F516-P518 HydrophobicContact CZ-CG 3.66Å; F516-N519 HydrophobicContact CD1-CB 4.34Å; F516-N519 PolarHBondContact O-N 3.12Å; F516-R520 PolarHBondContact O-N 2.84Å; F516-L626 HydrophobicContact CE1-CD1 4.37Å; F516-L626 HydrophobicContact CZ-CD1 3.9Å
517	L	96	Very high	97.1	Very high	50 Å²	50	35 Å²	35	26%	0.262	17%	0.168	S	C	.	.	H	α-helix	trans	-48.9	-49.6	-175.4	169	62.6	0	0	0	113.6	N519 R520 Q521 E555 I558	L517-N519 PolarHBondContact O-N 2.89Å; L517-R520 WeakPolarHBondContact O-CB 3.41Å; L517-R520 PolarHBondContact O-N 2.75Å; L517-Q521 HydrophobicContact CD1-CG 4.07Å; L517-Q521 PolarHBondContact O-N 3.41Å; L517-E555 HydrophobicContact CD1-CB 3.87Å; L517-E555 HydrophobicContact CD1-CG 3.69Å; L517-E555 HydrophobicContact CD2-CG 3.99Å; L517-E555 HydrophobicContact CG-CG 4.38Å; L517-I558 HydrophobicContact CD1-CD1 3.83Å; L517-I558 HydrophobicContact CD1-CG1 3.43Å; L517-I558 VanDerWaalsContact CD1-CG1 3.43Å
518	P	96.5	Very high	97	Very high	33 Å²	33	35 Å²	35	21%	0.214	17%	0.168	C	C	.	.	H	α-helix	trans	-58.8	-32.1	178.8	-27.7	36	0	0	0	114.2	T482 F516 A522 L626	T482-P518 HydrophobicContact CG2-CB 4.32Å; F516-P518 HydrophobicContact CD1-CB 4.05Å; F516-P518 HydrophobicContact CD1-CG 4.05Å; F516-P518 HydrophobicContact CE1-CB 3.65Å; F516-P518 HydrophobicContact CE1-CG 3.52Å; F516-P518 HydrophobicContact CE2-CG 4.29Å; F516-P518 HydrophobicContact CZ-CB 4.29Å; F516-P518 HydrophobicContact CZ-CG 3.66Å; P518-A522 WeakPolarHBondContact O-CB 3.48Å; P518-A522 PolarHBondContact O-N 2.99Å; P518-L626 HydrophobicContact CG-CD1 4.26Å
519	N	97.9	Very high	96.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-72.1	-37.1	176	-164.3	32.3	0	0	0	111.8	R481 T482 T485 D514 F516 L517 A522 A523	R481-N519 PolarHBondContact O-OD1 3.14Å; T482-N519 WeakPolarHBondContact CA-OD1 3.46Å; T482-N519 PolarHBondContact N-OD1 2.83Å; T482-N519 WeakPolarHBondContact OG1-CA 3.35Å; T482-N519 WeakPolarHBondContact OG1-CB 3.44Å; T482-N519 PolarHBondContact OG1-N 3.49Å; T485-N519 WeakPolarHBondContact CB-OD1 3.36Å; T485-N519 PolarHBondContact OG1-OD1 2.81Å; D514-N519 HydrophobicContact CB-CB 4.01Å; D514-N519 PolarHBondContact OD2-ND2 2.67Å; F516-N519 HydrophobicContact CD1-CB 4.34Å; F516-N519 PolarHBondContact O-N 3.12Å; L517-N519 PolarHBondContact O-N 2.89Å; N519-A522 PolarHBondContact O-N 3.04Å; N519-A523 WeakPolarHBondContact O-CB 3.33Å; N519-A523 PolarHBondContact O-N 2.82Å
520	R	97	Very high	96.5	Very high	27 Å²	27	34.1 Å²	34.1	10%	0.102	17%	0.165	C	C	.	.	H	α-helix	trans	-61.2	-45.1	172.1	-61.4	-156.5	-57.9	-89.7	7.8	111.4	T512 D514 F516 L517 A523 I524 D553 I558	T512-R520 WeakPolarHBondContact O-CD 3.48Å; D514-R520 HydrophobicContact CB-CG 4.18Å; D514-R520 WeakPolarHBondContact O-CD 3.46Å; D514-R520 WeakPolarHBondContact O-CG 3.5Å; D514-R520 PolarHBondContact O-NH1 3.45Å; D514-R520 VanDerWaalsContact O-NH1 3.15Å; F516-R520 PolarHBondContact O-N 2.84Å; L517-R520 WeakPolarHBondContact O-CB 3.41Å; L517-R520 PolarHBondContact O-N 2.75Å; R520-A523 WeakPolarHBondContact O-CB 3.3Å; R520-A523 PolarHBondContact O-N 3.41Å; R520-I524 WeakPolarHBondContact O-CG1 3.24Å; R520-I524 PolarHBondContact O-N 2.86Å; R520-I524 VanDerWaalsContact O-N 3.12Å; R520-D553 IonicContact CZ-OD1 3.74Å; R520-D553 IonicContact CZ-OD2 3.5Å; R520-D553 IonicContact NE-OD1 2.96Å; R520-D553 IonicContact NE-OD2 3.98Å; R520-D553 PolarHBondContact NE-OD2 3.13Å; R520-D553 IonicContact NH2-OD1 2.86Å; R520-D553 PolarHBondContact NH2-OD1 2.91Å; R520-D553 IonicContact NH2-OD2 3.37Å; R520-D553 PolarHBondContact NH2-OD2 3.48Å; R520-I558 HydrophobicContact CB-CD1 3.61Å
521	Q	96.5	Very high	96.4	Very high	57 Å²	57	27.8 Å²	27.8	27%	0.266	14%	0.141	S	C	.	.	H	α-helix	trans	-59.3	-52	176.6	-68.4	-179.2	-65.9	0	0	110.6	L517 A523 I524 T525 S557 I558	L517-Q521 HydrophobicContact CD1-CG 4.07Å; L517-Q521 PolarHBondContact O-N 3.41Å; Q521-A523 PolarHBondContact O-N 3.45Å; Q521-I524 PolarHBondContact O-N 3.29Å; Q521-I524 VanDerWaalsContact O-N 3.13Å; Q521-T525 PolarHBondContact O-N 3.34Å; Q521-T525 PolarHBondContact O-OG1 3.21Å; Q521-T525 VanDerWaalsContact O-OG1 3.05Å; Q521-S557 PolarHBondContact NE2-OG 2.64Å; Q521-I558 HydrophobicContact CB-CD1 4.2Å; Q521-I558 HydrophobicContact CG-CD1 3.38Å; Q521-I558 HydrophobicContact CG-CG1 4.2Å
522	A	96.9	Very high	96.1	Very high	10 Å²	10	32.9 Å²	32.9	8%	0.083	16%	0.164	C	C	.	.	H	α-helix	trans	-57.8	-34.5	177.3	0	0	0	0	0	112.7	T482 T485 V486 P518 N519 A526	T482-A522 HydrophobicContact CG2-CB 3.9Å; T485-A522 HydrophobicContact CG2-CB 3.98Å; V486-A522 HydrophobicContact CG2-CB 4.05Å; P518-A522 WeakPolarHBondContact O-CB 3.48Å; P518-A522 PolarHBondContact O-N 2.99Å; N519-A522 PolarHBondContact O-N 3.04Å; A522-A526 WeakPolarHBondContact O-CB 3.34Å; A522-A526 PolarHBondContact O-N 3.5Å
523	A	98.3	Very high	96	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-68.1	-41.1	177.2	0	0	0	0	0	112.9	T485 A511 T512 N519 R520 Q521 A526 L527	T485-A523 HydrophobicContact CG2-CB 4.35Å; A511-A523 HydrophobicContact CB-CB 3.6Å; T512-A523 HydrophobicContact CG2-CB 3.86Å; N519-A523 WeakPolarHBondContact O-CB 3.33Å; N519-A523 PolarHBondContact O-N 2.82Å; R520-A523 WeakPolarHBondContact O-CB 3.3Å; R520-A523 PolarHBondContact O-N 3.41Å; Q521-A523 PolarHBondContact O-N 3.45Å; A523-A526 PolarHBondContact O-N 3.28Å; A523-L527 WeakPolarHBondContact O-CG 3.42Å; A523-L527 PolarHBondContact O-N 3.06Å
524	I	97.9	Very high	96	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.8	-46.9	175.8	-62.6	157.5	0	0	0	109.8	R520 Q521 A526 L527 A528 L547 L550 I558 D561 T562 A565	R520-I524 WeakPolarHBondContact O-CG1 3.24Å; R520-I524 PolarHBondContact O-N 2.86Å; R520-I524 VanDerWaalsContact O-N 3.12Å; Q521-I524 PolarHBondContact O-N 3.29Å; Q521-I524 VanDerWaalsContact O-N 3.13Å; I524-A526 VanDerWaalsContact C-N 3.32Å; I524-A526 PolarHBondContact O-N 3.24Å; I524-L527 PolarHBondContact O-N 3.22Å; I524-A528 WeakPolarHBondContact O-CB 3.26Å; I524-A528 PolarHBondContact O-N 3.05Å; I524-L547 HydrophobicContact CG1-CD2 4.4Å; I524-L547 HydrophobicContact CG2-CD2 4.37Å; I524-L550 HydrophobicContact CD1-CD2 3.71Å; I524-L550 HydrophobicContact CG1-CD2 3.93Å; I524-I558 HydrophobicContact CD1-CB 4.45Å; I524-I558 HydrophobicContact CD1-CD1 3.61Å; I524-I558 HydrophobicContact CD1-CG2 3.79Å; I524-D561 HydrophobicContact CG2-CB 4.16Å; I524-T562 WeakPolarHBondContact CD1-OG1 3.32Å; I524-A565 HydrophobicContact CG2-CB 4.06Å
525	T	96.2	Very high	95.9	Very high	9 Å²	9	29.1 Å²	29.1	6%	0.055	16%	0.155	C	C	.	.	H	α-helix	trans	-61	-42	175.7	-50.9	0	0	0	0	111.1	Q521 A528 A529 A615 A618 L619	Q521-T525 PolarHBondContact O-N 3.34Å; Q521-T525 PolarHBondContact O-OG1 3.21Å; Q521-T525 VanDerWaalsContact O-OG1 3.05Å; T525-A528 PolarHBondContact O-N 3.32Å; T525-A529 WeakPolarHBondContact O-CB 3.32Å; T525-A529 PolarHBondContact O-N 3.15Å; T525-A615 HydrophobicContact CG2-CB 3.93Å; T525-A615 WeakPolarHBondContact CG2-O 3.33Å; T525-A615 WeakPolarHBondContact O-CB 3.15Å; T525-A618 HydrophobicContact CG2-CB 3.58Å; T525-L619 HydrophobicContact CG2-CD2 4.02Å; T525-L619 HydrophobicContact CG2-CG 3.8Å
526	A	97.5	Very high	95.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61	-49	176	0	0	0	0	0	111.6	T485 A489 F508 A522 A523 I524 A528 A529 T530	T485-A526 HydrophobicContact CG2-CB 4.2Å; A489-A526 HydrophobicContact CB-CB 3.76Å; F508-A526 HydrophobicContact CD1-CB 3.72Å; F508-A526 HydrophobicContact CD2-CB 4.1Å; F508-A526 HydrophobicContact CE1-CB 3.63Å; F508-A526 HydrophobicContact CE2-CB 4Å; F508-A526 HydrophobicContact CG-CB 3.98Å; F508-A526 HydrophobicContact CZ-CB 3.79Å; A522-A526 WeakPolarHBondContact O-CB 3.34Å; A522-A526 PolarHBondContact O-N 3.5Å; A523-A526 PolarHBondContact O-N 3.28Å; I524-A526 VanDerWaalsContact C-N 3.32Å; I524-A526 PolarHBondContact O-N 3.24Å; A526-A528 VanDerWaalsContact C-N 3.26Å; A526-A528 PolarHBondContact O-N 3.32Å; A526-A529 PolarHBondContact O-N 2.93Å; A526-T530 PolarHBondContact O-N 3.04Å; A526-T530 PolarHBondContact O-OG1 3.23Å
527	L	97.7	Very high	95.8	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-57.5	-39.4	176.4	-73.4	168.5	0	0	0	112.4	L505 F508 L509 T512 A523 I524 Q531 Y534 V543 L547	L505-L527 HydrophobicContact CD1-CD2 3.8Å; F508-L527 HydrophobicContact CB-CD2 3.68Å; F508-L527 HydrophobicContact CB-CG 3.85Å; F508-L527 HydrophobicContact CD2-CD2 4.34Å; L509-L527 HydrophobicContact CD2-CD1 4.19Å; L509-L527 HydrophobicContact CD2-CD2 4.06Å; L509-L527 HydrophobicContact CG-CD2 4.47Å; T512-L527 HydrophobicContact CG2-CD1 3.71Å; A523-L527 WeakPolarHBondContact O-CG 3.42Å; A523-L527 PolarHBondContact O-N 3.06Å; I524-L527 PolarHBondContact O-N 3.22Å; L527-Q531 PolarHBondContact O-N 3.09Å; L527-Y534 HydrophobicContact CD2-CE2 4.49Å; L527-V543 HydrophobicContact CB-CG1 4.47Å; L527-V543 HydrophobicContact CD1-CG1 4.49Å; L527-V543 HydrophobicContact CD2-CG1 4.32Å; L527-V543 HydrophobicContact CD2-CG2 4.38Å; L527-L547 HydrophobicContact CD1-CD2 4.21Å
528	A	95.1	Very high	95.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-67.1	-46.1	175.9	0	0	0	0	0	112	I524 T525 A526 T530 Q531 L611 W614 A615	I524-A528 WeakPolarHBondContact O-CB 3.26Å; I524-A528 PolarHBondContact O-N 3.05Å; T525-A528 PolarHBondContact O-N 3.32Å; A526-A528 VanDerWaalsContact C-N 3.26Å; A526-A528 PolarHBondContact O-N 3.32Å; A528-T530 VanDerWaalsContact C-N 3.34Å; A528-T530 PolarHBondContact O-N 3.27Å; A528-Q531 VanDerWaalsContact O-CG 3.27Å; A528-Q531 WeakPolarHBondContact O-CG 3.08Å; A528-Q531 PolarHBondContact O-NE2 3.18Å; A528-L611 HydrophobicContact CB-CD2 3.44Å; A528-L611 VanDerWaalsContact CB-CD2 3.44Å; A528-L611 HydrophobicContact CB-CG 4.04Å; A528-W614 HydrophobicContact CB-CZ3 4.08Å; A528-A615 HydrophobicContact CB-CB 3.68Å
529	A	93.4	Very high	95.8	Very high	9 Å²	9	27 Å²	27	7%	0.074	14%	0.136	C	C	.	.	H	α-helix	trans	-67.1	-33.6	-180	0	0	0	0	0	112.9	T525 A526 A615 L616 L619	T525-A529 WeakPolarHBondContact O-CB 3.32Å; T525-A529 PolarHBondContact O-N 3.15Å; A526-A529 PolarHBondContact O-N 2.93Å; A529-A615 HydrophobicContact CB-CB 3.7Å; A529-L616 HydrophobicContact CB-CD2 4.06Å; A529-L616 HydrophobicContact CB-CG 4.33Å; A529-L619 HydrophobicContact CB-CD1 3.59Å
530	T	94.6	Very high	95.8	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.012	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	8.2	-176.3	60.8	0	0	0	0	113.7	A492 F508 A526 A528 E532 Y533 Y534	A492-T530 HydrophobicContact CB-CG2 3.72Å; F508-T530 HydrophobicContact CE2-CG2 3.95Å; A526-T530 PolarHBondContact O-N 3.04Å; A526-T530 PolarHBondContact O-OG1 3.23Å; A528-T530 VanDerWaalsContact C-N 3.34Å; A528-T530 PolarHBondContact O-N 3.27Å; T530-E532 PolarHBondContact O-N 3.32Å; T530-E532 VanDerWaalsContact O-N 3.09Å; T530-Y533 HydrophobicContact CG2-CD2 4.19Å; T530-Y533 HydrophobicContact CG2-CE2 4.27Å; T530-Y533 PolarHBondContact O-N 3.31Å; T530-Y534 WeakPolarHBondContact O-CE2 3.32Å; T530-Y534 WeakPolarHBondContact OG1-CE2 2.89Å; T530-Y534 PolarHBondContact OG1-OH 3.49Å
531	Q	93.7	Very high	95.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-54	-34.2	-176.7	68.6	177.1	-44.5	0	0	113	L527 A528 Y533 Y534 L539 R572 A608 T612	L527-Q531 PolarHBondContact O-N 3.09Å; A528-Q531 VanDerWaalsContact O-CG 3.27Å; A528-Q531 WeakPolarHBondContact O-CG 3.08Å; A528-Q531 PolarHBondContact O-NE2 3.18Å; Q531-Y533 PolarHBondContact O-N 3.11Å; Q531-Y534 PolarHBondContact O-N 3.04Å; Q531-Y534 VanDerWaalsContact O-N 3.09Å; Q531-L539 HydrophobicContact CB-CD2 4.38Å; Q531-R572 PolarHBondContact O-NH1 2.89Å; Q531-A608 PolarHBondContact NE2-O 3.1Å; Q531-T612 PolarHBondContact NE2-OG1 3.18Å
532	E	92.4	Very high	95.8	Very high	112 Å²	112	33 Å²	33	52%	0.523	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-64	-26.4	-177.6	-66.5	177.3	-169.4	0	0	112.6	T530 Y534 T612	T530-E532 PolarHBondContact O-N 3.32Å; T530-E532 VanDerWaalsContact O-N 3.09Å; E532-Y534 VanDerWaalsContact C-N 3.27Å; E532-Y534 PolarHBondContact O-N 3.4Å; E532-T612 PolarHBondContact OE1-OG1 3.27Å
533	Y	93.5	Very high	95.8	Very high	73 Å²	73	32.6 Å²	32.6	29%	0.286	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-79.7	-8.4	177.9	-54.6	-49.3	0	0	0	113.4	A492 S493 Q500 Q501 T530 Q531	A492-Y533 HydrophobicContact CB-CD2 4.11Å; A492-Y533 HydrophobicContact CB-CE2 3.72Å; S493-Y533 WeakPolarHBondContact CB-OH 3.3Å; Q500-Y533 HydrophobicContact CG-CG 4.47Å; Q501-Y533 VanDerWaalsContact CG-O 3.24Å; Q501-Y533 WeakPolarHBondContact CG-O 3.41Å; Q501-Y533 PolarHBondContact NE2-O 3.46Å; T530-Y533 HydrophobicContact CG2-CD2 4.19Å; T530-Y533 HydrophobicContact CG2-CE2 4.27Å; T530-Y533 PolarHBondContact O-N 3.31Å; Q531-Y533 PolarHBondContact O-N 3.11Å
534	Y	95.7	Very high	95.7	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.016	19%	0.19	C	C	.	.	S	Bend	trans	-101.7	138.6	-176	-51.6	-39	0	0	0	111.7	Q501 L505 F508 L527 T530 Q531 E532 L539 V543 R572	Q501-Y534 HydrophobicContact CG-CD1 4.27Å; L505-Y534 HydrophobicContact CB-CD1 4.46Å; L505-Y534 HydrophobicContact CB-CE1 3.79Å; L505-Y534 HydrophobicContact CD1-CD1 4.46Å; L505-Y534 HydrophobicContact CD1-CD2 4.3Å; L505-Y534 HydrophobicContact CD1-CE1 4.06Å; L505-Y534 HydrophobicContact CD1-CE2 3.88Å; L505-Y534 HydrophobicContact CD2-CD1 4.2Å; L505-Y534 HydrophobicContact CD2-CE1 4.33Å; L505-Y534 HydrophobicContact CG-CE1 4.27Å; F508-Y534 WeakPolarHBondContact CD2-OH 3.3Å; L527-Y534 HydrophobicContact CD2-CE2 4.49Å; T530-Y534 WeakPolarHBondContact O-CE2 3.32Å; T530-Y534 WeakPolarHBondContact OG1-CE2 2.89Å; T530-Y534 PolarHBondContact OG1-OH 3.49Å; Q531-Y534 PolarHBondContact O-N 3.04Å; Q531-Y534 VanDerWaalsContact O-N 3.09Å; E532-Y534 VanDerWaalsContact C-N 3.27Å; E532-Y534 PolarHBondContact O-N 3.4Å; Y534-L539 HydrophobicContact CD2-CD2 4.03Å; Y534-V543 HydrophobicContact CD2-CG2 4.33Å; Y534-R572 PolarHBondContact O-NH2 3.26Å
535	T	95.1	Very high	95.7	Very high	56 Å²	56	36.4 Å²	36.4	34%	0.344	21%	0.206	S	C	.	.			trans	-67.2	158.5	169.8	65.9	0	0	0	0	110.4	D537 L538 L539	T535-D537 PolarHBondContact O-N 3.1Å; T535-L538 WeakPolarHBondContact O-CB 3.48Å; T535-L538 PolarHBondContact O-N 3.46Å; T535-L538 WeakPolarHBondContact OG1-CG 3.17Å; T535-L538 PolarHBondContact OG1-N 2.92Å; T535-L539 PolarHBondContact O-N 2.97Å
536	N	94.5	Very high	95.7	Very high	47 Å²	47	36.4 Å²	36.4	25%	0.251	21%	0.207	S	C	.	.	H	α-helix	trans	-61.5	-33	178.6	-66.8	-19.1	0	0	0	111.9	L538 L539 A540 R572 L573 T576	N536-L538 VanDerWaalsContact C-N 3.34Å; N536-L538 PolarHBondContact O-N 3.02Å; N536-L539 PolarHBondContact O-N 3.01Å; N536-A540 WeakPolarHBondContact O-CB 3.32Å; N536-A540 PolarHBondContact O-N 3.14Å; N536-R572 PolarHBondContact OD1-NE 3.48Å; N536-R572 PolarHBondContact OD1-NH2 3.36Å; N536-L573 HydrophobicContact CB-CD2 3.67Å; N536-T576 WeakPolarHBondContact ND2-CG2 3.29Å; N536-T576 PolarHBondContact ND2-OG1 3.41Å; N536-T576 VanDerWaalsContact ND2-OG1 3.14Å
537	D	95.4	Very high	95.7	Very high	136 Å²	136	36.4 Å²	36.4	73%	0.727	21%	0.207	S	C	*	.	H	α-helix	trans	-63.1	-38.1	173	-56.7	-61.2	0	0	0	112.6	T535 G541	T535-D537 PolarHBondContact O-N 3.1Å; D537-G541 WeakPolarHBondContact O-CA 3.25Å; D537-G541 PolarHBondContact O-N 3.44Å
538	L	96.9	Very high	95.7	Very high	23 Å²	23	39 Å²	39	12%	0.12	23%	0.225	C	C	.	.	H	α-helix	trans	-71.9	-38.8	176.2	-70.3	170.6	0	0	0	111.5	Q501 L505 T535 N536 K542 V543	Q501-L538 HydrophobicContact CB-CD1 3.68Å; Q501-L538 HydrophobicContact CG-CD1 3.73Å; L505-L538 HydrophobicContact CD2-CB 4.23Å; L505-L538 HydrophobicContact CD2-CD1 4.32Å; L505-L538 HydrophobicContact CD2-CD2 4.11Å; L505-L538 HydrophobicContact CD2-CG 4.46Å; T535-L538 WeakPolarHBondContact O-CB 3.48Å; T535-L538 PolarHBondContact O-N 3.46Å; T535-L538 WeakPolarHBondContact OG1-CG 3.17Å; T535-L538 PolarHBondContact OG1-N 2.92Å; N536-L538 VanDerWaalsContact C-N 3.34Å; N536-L538 PolarHBondContact O-N 3.02Å; L538-K542 HydrophobicContact CD2-CD 3.87Å; L538-K542 WeakPolarHBondContact O-CA 3.23Å; L538-K542 WeakPolarHBondContact O-CB 3.45Å; L538-K542 PolarHBondContact O-N 3.21Å; L538-V543 PolarHBondContact O-N 3.37Å; L538-V543 VanDerWaalsContact O-N 3.1Å
539	L	96.7	Very high	95.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.255	C	S	.	.	I	π-helix	trans	-62.5	-51.7	175.5	-69.5	176.1	0	0	0	111.1	Q531 Y534 T535 N536 V543 L544 I569 R572 L573	Q531-L539 HydrophobicContact CB-CD2 4.38Å; Y534-L539 HydrophobicContact CD2-CD2 4.03Å; T535-L539 PolarHBondContact O-N 2.97Å; N536-L539 PolarHBondContact O-N 3.01Å; L539-V543 HydrophobicContact CD2-CB 4.3Å; L539-V543 HydrophobicContact CD2-CG2 4.13Å; L539-V543 PolarHBondContact O-N 3.08Å; L539-L544 WeakPolarHBondContact O-CB 3.36Å; L539-L544 PolarHBondContact O-N 3Å; L539-I569 HydrophobicContact CB-CG2 3.98Å; L539-I569 HydrophobicContact CD1-CG2 4.37Å; L539-I569 HydrophobicContact CD2-CD1 4.47Å; L539-I569 HydrophobicContact CD2-CG1 4.45Å; L539-I569 HydrophobicContact CD2-CG2 4.27Å; L539-I569 HydrophobicContact CG-CG2 4.44Å; L539-R572 VanDerWaalsContact CD1-CZ 3.49Å; L539-L573 HydrophobicContact CB-CD2 4.42Å
540	A	96.4	Very high	95.9	Very high	50 Å²	50	45.9 Å²	45.9	41%	0.413	25%	0.254	S	S	.	.	I	π-helix	trans	-71.8	-39.3	-179.1	0	0	0	0	0	113	N536 P545 L573	N536-A540 WeakPolarHBondContact O-CB 3.32Å; N536-A540 PolarHBondContact O-N 3.14Å; A540-P545 WeakPolarHBondContact O-CD 3.22Å; A540-P545 WeakPolarHBondContact O-CG 3.47Å; A540-L573 HydrophobicContact CB-CD1 4.09Å
541	G	96.4	Very high	96	Very high	52 Å²	52	47.4 Å²	47.4	54%	0.536	26%	0.263	S	S	.	.	I	π-helix	trans	-89.6	-19.5	-172.7	0	0	0	0	0	115.2	D537	D537-G541 WeakPolarHBondContact O-CA 3.25Å; D537-G541 PolarHBondContact O-N 3.44Å
542	K	97	Very high	96.1	Very high	110 Å²	110	52.9 Å²	52.9	48%	0.478	30%	0.297	S	S	.	.	I	π-helix	trans	-129.9	-50.3	-177.6	-60.5	-173.8	-178.7	174.8	0	113.7	L505 L509 L538 C546	L505-K542 HydrophobicContact CD2-CD 4.46Å; L509-K542 HydrophobicContact CD1-CB 4.02Å; L538-K542 HydrophobicContact CD2-CD 3.87Å; L538-K542 WeakPolarHBondContact O-CA 3.23Å; L538-K542 WeakPolarHBondContact O-CB 3.45Å; L538-K542 PolarHBondContact O-N 3.21Å; K542-C546 VanDerWaalsContact O-CB 3.32Å; K542-C546 WeakPolarHBondContact O-CB 3.34Å; K542-C546 PolarHBondContact O-N 2.83Å; K542-C546 VanDerWaalsContact O-N 3.14Å
543	V	97.4	Very high	96.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.279	C	S	.	.	I	π-helix	trans	-70.9	-54	-173.3	-176.1	0	0	0	0	111.5	L505 L527 Y534 L538 L539 C546 L547 I569	L505-V543 HydrophobicContact CD1-CG2 3.74Å; L527-V543 HydrophobicContact CB-CG1 4.47Å; L527-V543 HydrophobicContact CD1-CG1 4.49Å; L527-V543 HydrophobicContact CD2-CG1 4.32Å; L527-V543 HydrophobicContact CD2-CG2 4.38Å; Y534-V543 HydrophobicContact CD2-CG2 4.33Å; L538-V543 PolarHBondContact O-N 3.37Å; L538-V543 VanDerWaalsContact O-N 3.1Å; L539-V543 HydrophobicContact CD2-CB 4.3Å; L539-V543 HydrophobicContact CD2-CG2 4.13Å; L539-V543 PolarHBondContact O-N 3.08Å; V543-C546 WeakPolarHBondContact O-CB 3.37Å; V543-C546 PolarHBondContact O-N 2.77Å; V543-C546 VanDerWaalsContact O-N 3.14Å; V543-L547 HydrophobicContact CG1-CD1 3.89Å; V543-L547 HydrophobicContact CG1-CG 4.3Å; V543-L547 WeakPolarHBondContact O-CG 3.47Å; V543-L547 PolarHBondContact O-N 3.13Å; V543-I569 HydrophobicContact CG1-CD1 3.61Å
544	L	97.1	Very high	96.3	Very high	27 Å²	27	50.8 Å²	50.8	14%	0.141	30%	0.298	C	S	.	.	H	α-helix	trans	-59.6	-47.4	178.7	-79.8	179.5	0	0	0	112.8	L539 C546 L547 S548 I566 I569 L570 L573	L539-L544 WeakPolarHBondContact O-CB 3.36Å; L539-L544 PolarHBondContact O-N 3Å; L544-C546 PolarHBondContact O-N 2.75Å; L544-L547 PolarHBondContact O-N 3.39Å; L544-S548 PolarHBondContact O-N 2.81Å; L544-I566 HydrophobicContact CD2-CB 4.35Å; L544-I566 HydrophobicContact CD2-CG1 4.17Å; L544-I566 HydrophobicContact CD2-CG2 4.09Å; L544-I569 HydrophobicContact CD1-CG2 3.98Å; L544-I569 HydrophobicContact CD2-CB 4.05Å; L544-I569 HydrophobicContact CD2-CG2 3.86Å; L544-I569 HydrophobicContact CG-CB 4.46Å; L544-I569 HydrophobicContact CG-CG2 3.71Å; L544-L570 HydrophobicContact CD1-CD2 3.92Å; L544-L573 HydrophobicContact CD1-CD1 3.52Å
545	P	97.1	Very high	96.3	Very high	54 Å²	54	54.3 Å²	54.3	35%	0.351	32%	0.315	S	S	.	.	H	α-helix	trans	-60.2	-33.5	174.8	-27.7	36.2	0	0	0	113.2	A540 S548 F549	A540-P545 WeakPolarHBondContact O-CD 3.22Å; A540-P545 WeakPolarHBondContact O-CG 3.47Å; P545-S548 PolarHBondContact O-OG 2.92Å; P545-F549 WeakPolarHBondContact O-CD2 3.36Å; P545-F549 WeakPolarHBondContact O-CE2 3.37Å
546	C	97	Very high	96.3	Very high	9 Å²	9	57.8 Å²	57.8	6%	0.061	33%	0.325	C	S	.	.	H	α-helix	trans	-68.1	-49.5	173.8	-175.5	0	0	0	0	111.2	L509 T512 K542 V543 L544 S548 F549 L550	L509-C546 HydrophobicContact CD2-CB 3.6Å; T512-C546 PolarHBondContact OG1-SG 2.81Å; K542-C546 VanDerWaalsContact O-CB 3.32Å; K542-C546 WeakPolarHBondContact O-CB 3.34Å; K542-C546 PolarHBondContact O-N 2.83Å; K542-C546 VanDerWaalsContact O-N 3.14Å; V543-C546 WeakPolarHBondContact O-CB 3.37Å; V543-C546 PolarHBondContact O-N 2.77Å; V543-C546 VanDerWaalsContact O-N 3.14Å; L544-C546 PolarHBondContact O-N 2.75Å; C546-S548 VanDerWaalsContact C-N 3.3Å; C546-S548 PolarHBondContact O-N 2.83Å; C546-F549 PolarHBondContact O-N 3.31Å; C546-L550 WeakPolarHBondContact O-CD1 3.43Å
547	L	97.3	Very high	96.3	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-64.3	-32.7	-178.7	-69.2	176.9	0	0	0	112.5	I524 L527 V543 L544 F549 L550 T551 T562 A565 I566 I569	I524-L547 HydrophobicContact CG1-CD2 4.4Å; I524-L547 HydrophobicContact CG2-CD2 4.37Å; L527-L547 HydrophobicContact CD1-CD2 4.21Å; V543-L547 HydrophobicContact CG1-CD1 3.89Å; V543-L547 HydrophobicContact CG1-CG 4.3Å; V543-L547 WeakPolarHBondContact O-CG 3.47Å; V543-L547 PolarHBondContact O-N 3.13Å; L544-L547 PolarHBondContact O-N 3.39Å; L547-F549 VanDerWaalsContact C-N 3.26Å; L547-F549 PolarHBondContact O-N 3.37Å; L547-L550 PolarHBondContact O-N 3.2Å; L547-T551 PolarHBondContact O-N 3.38Å; L547-T562 HydrophobicContact CB-CG2 4.05Å; L547-T562 HydrophobicContact CD2-CG2 4.33Å; L547-T562 WeakPolarHBondContact O-CG2 3.43Å; L547-A565 HydrophobicContact CD1-CB 3.83Å; L547-I566 HydrophobicContact CB-CD1 3.99Å; L547-I566 HydrophobicContact CB-CG1 3.72Å; L547-I566 HydrophobicContact CD1-CG1 4.12Å; L547-I569 HydrophobicContact CD1-CD1 3.73Å
548	S	97.2	Very high	96.3	Very high	56 Å²	56	51.1 Å²	51.1	39%	0.392	29%	0.293	S	S	.	.	H	α-helix	trans	-58.1	-39.1	179.5	72	0	0	0	0	112.1	L544 P545 C546 L550 T551	L544-S548 PolarHBondContact O-N 2.81Å; P545-S548 PolarHBondContact O-OG 2.92Å; C546-S548 VanDerWaalsContact C-N 3.3Å; C546-S548 PolarHBondContact O-N 2.83Å; S548-L550 VanDerWaalsContact C-N 3.3Å; S548-L550 PolarHBondContact O-N 2.94Å; S548-T551 WeakPolarHBondContact O-CB 3.49Å; S548-T551 PolarHBondContact O-N 2.92Å; S548-T551 PolarHBondContact O-OG1 3.44Å
549	F	95.2	Very high	96.4	Very high	142 Å²	142	53.5 Å²	53.5	62%	0.623	30%	0.301	S	S	*	.	H	α-helix	trans	-62	-36.6	174.7	-71.2	-73.2	0	0	0	112.4	P545 C546 L547 T551 T552	P545-F549 WeakPolarHBondContact O-CD2 3.36Å; P545-F549 WeakPolarHBondContact O-CE2 3.37Å; C546-F549 PolarHBondContact O-N 3.31Å; L547-F549 VanDerWaalsContact C-N 3.26Å; L547-F549 PolarHBondContact O-N 3.37Å; F549-T551 PolarHBondContact O-N 3.45Å; F549-T552 PolarHBondContact O-N 3.41Å; F549-T552 PolarHBondContact O-OG1 3.48Å
550	L	96.6	Very high	96.4	Very high	10 Å²	10	56.8 Å²	56.8	5%	0.052	32%	0.318	C	S	.	.	H	α-helix	trans	-72.8	-12.3	-179.7	-74.6	91.9	0	0	0	113.5	T512 I524 C546 L547 S548 T552 D553 I558 T562	T512-L550 HydrophobicContact CG2-CD2 4.43Å; I524-L550 HydrophobicContact CD1-CD2 3.71Å; I524-L550 HydrophobicContact CG1-CD2 3.93Å; C546-L550 WeakPolarHBondContact O-CD1 3.43Å; L547-L550 PolarHBondContact O-N 3.2Å; S548-L550 VanDerWaalsContact C-N 3.3Å; S548-L550 PolarHBondContact O-N 2.94Å; L550-T552 PolarHBondContact O-N 3.36Å; L550-T552 VanDerWaalsContact O-N 3.13Å; L550-D553 VanDerWaalsContact O-CB 3.3Å; L550-D553 WeakPolarHBondContact O-CB 3.4Å; L550-D553 PolarHBondContact O-N 3.22Å; L550-D553 VanDerWaalsContact O-N 3.09Å; L550-I558 HydrophobicContact CB-CG2 4.22Å; L550-I558 HydrophobicContact CD2-CG2 3.87Å; L550-T562 HydrophobicContact CB-CG2 3.79Å; L550-T562 WeakPolarHBondContact CB-OG1 3.26Å
551	T	96.7	Very high	96.3	Very high	35 Å²	35	55.7 Å²	55.7	22%	0.215	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-15	171.2	67.5	0	0	0	0	112.8	L547 S548 F549 R559 T562 F563 I566	L547-T551 PolarHBondContact O-N 3.38Å; S548-T551 WeakPolarHBondContact O-CB 3.49Å; S548-T551 PolarHBondContact O-N 2.92Å; S548-T551 PolarHBondContact O-OG1 3.44Å; F549-T551 PolarHBondContact O-N 3.45Å; T551-R559 WeakPolarHBondContact O-CD 3.48Å; T551-T562 HydrophobicContact CG2-CG2 3.9Å; T551-F563 HydrophobicContact CG2-CD1 4.13Å; T551-F563 HydrophobicContact CG2-CE1 3.7Å; T551-F563 HydrophobicContact CG2-CZ 4.01Å; T551-I566 HydrophobicContact CG2-CD1 3.53Å
552	T	95.7	Very high	96.3	Very high	115 Å²	115	53.2 Å²	53.2	71%	0.706	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	12.5	176.4	63.4	0	0	0	0	113.2	F549 L550	F549-T552 PolarHBondContact O-N 3.41Å; F549-T552 PolarHBondContact O-OG1 3.48Å; L550-T552 PolarHBondContact O-N 3.36Å; L550-T552 VanDerWaalsContact O-N 3.13Å
553	D	95.7	Very high	96.4	Very high	27 Å²	27	51.9 Å²	51.9	14%	0.144	27%	0.274	C	S	.	.			trans	-57.2	150.3	176	-166.9	-78.8	0	0	0	111	R520 L550 E555 I558 R559	R520-D553 IonicContact CZ-OD1 3.74Å; R520-D553 IonicContact CZ-OD2 3.5Å; R520-D553 IonicContact NE-OD1 2.96Å; R520-D553 IonicContact NE-OD2 3.98Å; R520-D553 PolarHBondContact NE-OD2 3.13Å; R520-D553 IonicContact NH2-OD1 2.86Å; R520-D553 PolarHBondContact NH2-OD1 2.91Å; R520-D553 IonicContact NH2-OD2 3.37Å; R520-D553 PolarHBondContact NH2-OD2 3.48Å; L550-D553 VanDerWaalsContact O-CB 3.3Å; L550-D553 WeakPolarHBondContact O-CB 3.4Å; L550-D553 PolarHBondContact O-N 3.22Å; L550-D553 VanDerWaalsContact O-N 3.09Å; D553-E555 PolarHBondContact O-N 2.82Å; D553-E555 PolarHBondContact OD1-N 3.48Å; D553-I558 HydrophobicContact CB-CB 4.07Å; D553-I558 HydrophobicContact CB-CG2 3.44Å; D553-I558 VanDerWaalsContact CB-CG2 3.44Å; D553-I558 VanDerWaalsContact CG-CG2 3.45Å; D553-R559 HydrophobicContact CB-CG 4.32Å; D553-R559 WeakPolarHBondContact O-CD 3.46Å; D553-R559 PolarHBondContact O-NH1 3.21Å
554	T	94.8	Very high	96.3	Very high	113 Å²	113	57.2 Å²	57.2	69%	0.693	29%	0.294	S	S	*	.	S	Bend	trans	-61	-36.2	-179.6	57.9	0	0	0	0	111.4	R559	T554-R559 PolarHBondContact O-NH1 3.3Å
555	E	95.7	Very high	96.2	Very high	79 Å²	79	55.9 Å²	55.9	37%	0.369	29%	0.287	S	S	.	.	S	Bend	trans	-86.6	128.5	-173.8	-59.8	-51.6	130.9	0	0	112.2	L517 D553 S557 I558 R559	L517-E555 HydrophobicContact CD1-CB 3.87Å; L517-E555 HydrophobicContact CD1-CG 3.69Å; L517-E555 HydrophobicContact CD2-CG 3.99Å; L517-E555 HydrophobicContact CG-CG 4.38Å; D553-E555 PolarHBondContact O-N 2.82Å; D553-E555 PolarHBondContact OD1-N 3.48Å; E555-S557 VanDerWaalsContact C-N 3.35Å; E555-S557 PolarHBondContact O-N 3.21Å; E555-I558 HydrophobicContact CB-CB 4.28Å; E555-I558 HydrophobicContact CB-CG1 3.99Å; E555-I558 PolarHBondContact O-N 2.95Å; E555-R559 PolarHBondContact O-N 3.32Å
556	K	95.8	Very high	96.2	Very high	128 Å²	128	54.5 Å²	54.5	56%	0.557	28%	0.277	S	S	*	.	H	α-helix	trans	-63	-40.5	-178.4	-175.9	-177.6	177.3	-64.9	0	112.4	I558 R559 D560	K556-I558 VanDerWaalsContact C-N 3.32Å; K556-I558 PolarHBondContact O-N 3Å; K556-R559 PolarHBondContact O-N 3.18Å; K556-D560 IonicContact NZ-OD1 2.79Å; K556-D560 IonicContact NZ-OD2 3.07Å; K556-D560 PolarHBondContact NZ-OD2 3.3Å; K556-D560 PolarHBondContact O-N 3.34Å
557	S	94.1	Very high	96.2	Very high	43 Å²	43	61.8 Å²	61.8	30%	0.301	30%	0.303	S	S	.	.	H	α-helix	trans	-59.2	-44.1	179.6	53.2	0	0	0	0	111.7	Q521 E555 R559 D560 D561	Q521-S557 PolarHBondContact NE2-OG 2.64Å; E555-S557 VanDerWaalsContact C-N 3.35Å; E555-S557 PolarHBondContact O-N 3.21Å; S557-R559 VanDerWaalsContact C-N 3.35Å; S557-R559 PolarHBondContact O-N 3.16Å; S557-D560 PolarHBondContact O-N 2.95Å; S557-D561 PolarHBondContact O-N 3.32Å
558	I	95.8	Very high	96	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-58.6	-47.4	175.6	-68.9	-71	0	0	0	111	L517 R520 Q521 I524 L550 D553 E555 K556 D560 D561 T562	L517-I558 HydrophobicContact CD1-CD1 3.83Å; L517-I558 HydrophobicContact CD1-CG1 3.43Å; L517-I558 VanDerWaalsContact CD1-CG1 3.43Å; R520-I558 HydrophobicContact CB-CD1 3.61Å; Q521-I558 HydrophobicContact CB-CD1 4.2Å; Q521-I558 HydrophobicContact CG-CD1 3.38Å; Q521-I558 HydrophobicContact CG-CG1 4.2Å; I524-I558 HydrophobicContact CD1-CB 4.45Å; I524-I558 HydrophobicContact CD1-CD1 3.61Å; I524-I558 HydrophobicContact CD1-CG2 3.79Å; L550-I558 HydrophobicContact CB-CG2 4.22Å; L550-I558 HydrophobicContact CD2-CG2 3.87Å; D553-I558 HydrophobicContact CB-CB 4.07Å; D553-I558 HydrophobicContact CB-CG2 3.44Å; D553-I558 VanDerWaalsContact CB-CG2 3.44Å; D553-I558 VanDerWaalsContact CG-CG2 3.45Å; E555-I558 HydrophobicContact CB-CB 4.28Å; E555-I558 HydrophobicContact CB-CG1 3.99Å; E555-I558 PolarHBondContact O-N 2.95Å; K556-I558 VanDerWaalsContact C-N 3.32Å; K556-I558 PolarHBondContact O-N 3Å; I558-D560 PolarHBondContact O-N 3.32Å; I558-D561 PolarHBondContact O-N 3.39Å; I558-T562 WeakPolarHBondContact O-CB 3.28Å; I558-T562 PolarHBondContact O-N 2.93Å; I558-T562 PolarHBondContact O-OG1 2.73Å
559	R	97.7	Very high	95.9	Very high	74 Å²	74	59.4 Å²	59.4	28%	0.279	29%	0.287	S	S	.	.	H	α-helix	trans	-60.9	-45.6	178.8	-63.6	-167.5	-59.1	-87.2	4.3	111.4	T551 D553 T554 E555 K556 S557 T562 F563	T551-R559 WeakPolarHBondContact O-CD 3.48Å; D553-R559 HydrophobicContact CB-CG 4.32Å; D553-R559 WeakPolarHBondContact O-CD 3.46Å; D553-R559 PolarHBondContact O-NH1 3.21Å; T554-R559 PolarHBondContact O-NH1 3.3Å; E555-R559 PolarHBondContact O-N 3.32Å; K556-R559 PolarHBondContact O-N 3.18Å; S557-R559 VanDerWaalsContact C-N 3.35Å; S557-R559 PolarHBondContact O-N 3.16Å; R559-T562 PolarHBondContact O-N 2.88Å; R559-F563 HydrophobicContact CB-CD2 4.49Å; R559-F563 HydrophobicContact CB-CE2 4.35Å; R559-F563 WeakPolarHBondContact O-CD2 3.4Å; R559-F563 PolarHBondContact O-N 3.29Å
560	D	96.8	Very high	95.9	Very high	68 Å²	68	56 Å²	56	36%	0.364	27%	0.274	S	S	.	.	H	α-helix	trans	-62	-45.9	-179.5	-68.4	-23	0	0	0	112	K556 S557 I558 F563 R564	K556-D560 IonicContact NZ-OD1 2.79Å; K556-D560 IonicContact NZ-OD2 3.07Å; K556-D560 PolarHBondContact NZ-OD2 3.3Å; K556-D560 PolarHBondContact O-N 3.34Å; S557-D560 PolarHBondContact O-N 2.95Å; I558-D560 PolarHBondContact O-N 3.32Å; D560-F563 PolarHBondContact O-N 3.15Å; D560-R564 PolarHBondContact O-N 2.94Å; D560-R564 VanDerWaalsContact O-N 3.1Å
561	D	94.3	Very high	95.8	Very high	27 Å²	27	57.8 Å²	57.8	14%	0.144	28%	0.284	C	S	.	.	H	α-helix	trans	-66.6	-38.9	177.3	-69.5	-23.6	0	0	0	111.4	I524 S557 I558 R564 A565 W614	I524-D561 HydrophobicContact CG2-CB 4.16Å; S557-D561 PolarHBondContact O-N 3.32Å; I558-D561 PolarHBondContact O-N 3.39Å; D561-R564 WeakPolarHBondContact O-CB 3.35Å; D561-R564 PolarHBondContact O-N 3.4Å; D561-A565 WeakPolarHBondContact O-CB 3.31Å; D561-A565 PolarHBondContact O-N 3.41Å; D561-W614 HydrophobicContact CB-CH2 4.07Å; D561-W614 HydrophobicContact CB-CZ2 4.37Å; D561-W614 WeakPolarHBondContact OD1-CZ2 3.19Å
562	T	97.7	Very high	95.5	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.1	-47.3	175.8	-63	0	0	0	0	111.3	I524 L547 L550 T551 I558 R559 R564 A565 I566	I524-T562 WeakPolarHBondContact CD1-OG1 3.32Å; L547-T562 HydrophobicContact CB-CG2 4.05Å; L547-T562 HydrophobicContact CD2-CG2 4.33Å; L547-T562 WeakPolarHBondContact O-CG2 3.43Å; L550-T562 HydrophobicContact CB-CG2 3.79Å; L550-T562 WeakPolarHBondContact CB-OG1 3.26Å; T551-T562 HydrophobicContact CG2-CG2 3.9Å; I558-T562 WeakPolarHBondContact O-CB 3.28Å; I558-T562 PolarHBondContact O-N 2.93Å; I558-T562 PolarHBondContact O-OG1 2.73Å; R559-T562 PolarHBondContact O-N 2.88Å; T562-R564 PolarHBondContact O-N 2.79Å; T562-A565 PolarHBondContact O-N 2.99Å; T562-I566 HydrophobicContact CG2-CD1 3.85Å; T562-I566 HydrophobicContact CG2-CG1 4.38Å; T562-I566 WeakPolarHBondContact O-CG1 3.24Å; T562-I566 PolarHBondContact O-N 2.9Å
563	F	98.2	Very high	95.4	Very high	83 Å²	83	54.8 Å²	54.8	36%	0.364	26%	0.259	S	S	.	.	H	α-helix	trans	-62.1	-34.9	176.5	-78.8	-59.6	0	0	0	111.9	T551 R559 D560 R567	T551-F563 HydrophobicContact CG2-CD1 4.13Å; T551-F563 HydrophobicContact CG2-CE1 3.7Å; T551-F563 HydrophobicContact CG2-CZ 4.01Å; R559-F563 HydrophobicContact CB-CD2 4.49Å; R559-F563 HydrophobicContact CB-CE2 4.35Å; R559-F563 WeakPolarHBondContact O-CD2 3.4Å; R559-F563 PolarHBondContact O-N 3.29Å; D560-F563 PolarHBondContact O-N 3.15Å; F563-R567 VanDerWaalsContact O-CG 3.28Å; F563-R567 WeakPolarHBondContact O-CG 3.36Å; F563-R567 PolarHBondContact O-N 3.16Å; F563-R567 VanDerWaalsContact O-N 3.09Å
564	R	95	Very high	95.3	Very high	111 Å²	111	59 Å²	59	42%	0.419	28%	0.277	S	S	.	.	H	α-helix	trans	-64.2	-50.4	173.6	-167.8	-177.5	-54.7	-161.3	1.8	111	D560 D561 T562 I566 R567 G568 L611 W614	D560-R564 PolarHBondContact O-N 2.94Å; D560-R564 VanDerWaalsContact O-N 3.1Å; D561-R564 WeakPolarHBondContact O-CB 3.35Å; D561-R564 PolarHBondContact O-N 3.4Å; T562-R564 PolarHBondContact O-N 2.79Å; R564-I566 PolarHBondContact O-N 2.8Å; R564-R567 PolarHBondContact O-N 2.76Å; R564-G568 PolarHBondContact O-N 2.85Å; R564-G568 VanDerWaalsContact O-N 3.11Å; R564-L611 HydrophobicContact CG-CD1 4.36Å; R564-L611 WeakPolarHBondContact O-CD1 3.47Å; R564-W614 VanDerWaalsContact NH1-NE1 3.1Å
565	A	95.4	Very high	95	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-55.4	-48.2	176	0	0	0	0	0	112.4	I524 L547 D561 T562 R567 G568 I569 L611	I524-A565 HydrophobicContact CG2-CB 4.06Å; L547-A565 HydrophobicContact CD1-CB 3.83Å; D561-A565 WeakPolarHBondContact O-CB 3.31Å; D561-A565 PolarHBondContact O-N 3.41Å; T562-A565 PolarHBondContact O-N 2.99Å; A565-R567 PolarHBondContact O-N 2.95Å; A565-G568 PolarHBondContact O-N 3Å; A565-I569 WeakPolarHBondContact O-CG1 3.44Å; A565-I569 PolarHBondContact O-N 3.26Å; A565-L611 VanDerWaalsContact CA-CD1 3.48Å
566	I	97.8	Very high	94.7	Very high	25 Å²	25	56 Å²	56	13%	0.128	26%	0.259	C	S	.	.	H	α-helix	trans	-59.7	-46.6	178.1	-71	171.8	0	0	0	111	L544 L547 T551 T562 R564 G568 I569 L570	L544-I566 HydrophobicContact CD2-CB 4.35Å; L544-I566 HydrophobicContact CD2-CG1 4.17Å; L544-I566 HydrophobicContact CD2-CG2 4.09Å; L547-I566 HydrophobicContact CB-CD1 3.99Å; L547-I566 HydrophobicContact CB-CG1 3.72Å; L547-I566 HydrophobicContact CD1-CG1 4.12Å; T551-I566 HydrophobicContact CG2-CD1 3.53Å; T562-I566 HydrophobicContact CG2-CD1 3.85Å; T562-I566 HydrophobicContact CG2-CG1 4.38Å; T562-I566 WeakPolarHBondContact O-CG1 3.24Å; T562-I566 PolarHBondContact O-N 2.9Å; R564-I566 PolarHBondContact O-N 2.8Å; I566-G568 PolarHBondContact O-N 3.41Å; I566-I569 PolarHBondContact O-N 2.84Å; I566-L570 HydrophobicContact CG2-CD1 3.68Å; I566-L570 HydrophobicContact CG2-CG 4.14Å; I566-L570 WeakPolarHBondContact O-CB 3.27Å; I566-L570 WeakPolarHBondContact O-CG 3.29Å; I566-L570 PolarHBondContact O-N 2.91Å
567	R	96.9	Very high	94.4	Very high	162 Å²	162	53.7 Å²	53.7	61%	0.611	26%	0.259	S	S	*	.	H	α-helix	trans	-60.8	-44.7	179.9	-73.7	179.5	-163	109.9	-0.4	112.1	F563 R564 A565 I569 L570 D571	F563-R567 VanDerWaalsContact O-CG 3.28Å; F563-R567 WeakPolarHBondContact O-CG 3.36Å; F563-R567 PolarHBondContact O-N 3.16Å; F563-R567 VanDerWaalsContact O-N 3.09Å; R564-R567 PolarHBondContact O-N 2.76Å; A565-R567 PolarHBondContact O-N 2.95Å; R567-I569 VanDerWaalsContact C-N 3.34Å; R567-I569 PolarHBondContact O-N 2.96Å; R567-L570 PolarHBondContact O-N 3.02Å; R567-D571 WeakPolarHBondContact O-CB 3.4Å; R567-D571 PolarHBondContact O-N 3.19Å
568	G	92.7	Very high	94.1	Very high	5 Å²	5	57.7 Å²	57.7	5%	0.052	27%	0.273	C	S	.	.	H	α-helix	trans	-65.6	-35.9	178.4	0	0	0	0	0	113.3	R564 A565 I566 R572	R564-G568 PolarHBondContact O-N 2.85Å; R564-G568 VanDerWaalsContact O-N 3.11Å; A565-G568 PolarHBondContact O-N 3Å; I566-G568 PolarHBondContact O-N 3.41Å; G568-R572 PolarHBondContact O-N 3.25Å
569	I	94.4	Very high	93	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-71.6	-41.8	176.1	-65.2	166.5	0	0	0	111.3	L539 V543 L544 L547 A565 I566 R567 R572 L573	L539-I569 HydrophobicContact CB-CG2 3.98Å; L539-I569 HydrophobicContact CD1-CG2 4.37Å; L539-I569 HydrophobicContact CD2-CD1 4.47Å; L539-I569 HydrophobicContact CD2-CG1 4.45Å; L539-I569 HydrophobicContact CD2-CG2 4.27Å; L539-I569 HydrophobicContact CG-CG2 4.44Å; V543-I569 HydrophobicContact CG1-CD1 3.61Å; L544-I569 HydrophobicContact CD1-CG2 3.98Å; L544-I569 HydrophobicContact CD2-CB 4.05Å; L544-I569 HydrophobicContact CD2-CG2 3.86Å; L544-I569 HydrophobicContact CG-CB 4.46Å; L544-I569 HydrophobicContact CG-CG2 3.71Å; L547-I569 HydrophobicContact CD1-CD1 3.73Å; A565-I569 WeakPolarHBondContact O-CG1 3.44Å; A565-I569 PolarHBondContact O-N 3.26Å; I566-I569 PolarHBondContact O-N 2.84Å; R567-I569 VanDerWaalsContact C-N 3.34Å; R567-I569 PolarHBondContact O-N 2.96Å; I569-R572 PolarHBondContact O-N 2.98Å; I569-L573 HydrophobicContact CG2-CD1 4.12Å; I569-L573 HydrophobicContact CG2-CG 4.41Å; I569-L573 WeakPolarHBondContact O-CG 3.16Å; I569-L573 PolarHBondContact O-N 2.88Å
570	L	96.4	Very high	91.3	Very high	70 Å²	70	65 Å²	65	37%	0.366	31%	0.313	S	S	.	.	H	α-helix	trans	-61.6	-45.6	176.6	-75.5	175.3	0	0	0	111.3	L544 I566 R567 R572 L573 E574	L544-L570 HydrophobicContact CD1-CD2 3.92Å; I566-L570 HydrophobicContact CG2-CD1 3.68Å; I566-L570 HydrophobicContact CG2-CG 4.14Å; I566-L570 WeakPolarHBondContact O-CB 3.27Å; I566-L570 WeakPolarHBondContact O-CG 3.29Å; I566-L570 PolarHBondContact O-N 2.91Å; R567-L570 PolarHBondContact O-N 3.02Å; L570-R572 VanDerWaalsContact C-N 3.28Å; L570-R572 PolarHBondContact O-N 3.17Å; L570-L573 PolarHBondContact O-N 2.93Å; L570-E574 WeakPolarHBondContact O-CB 3.5Å; L570-E574 WeakPolarHBondContact O-CG 3.44Å; L570-E574 PolarHBondContact O-N 2.91Å
571	D	93.5	Very high	89.3	Confident	49 Å²	49	65.9 Å²	65.9	26%	0.262	32%	0.322	S	S	.	.	H	α-helix	trans	-54.7	-43.8	176.4	-178.8	85.3	0	0	0	111.9	R567 H575 S607	R567-D571 WeakPolarHBondContact O-CB 3.4Å; R567-D571 PolarHBondContact O-N 3.19Å; D571-H575 WeakPolarHBondContact O-CB 3.4Å; D571-H575 PolarHBondContact O-N 3.03Å; D571-S607 VanDerWaalsContact OD2-CB 3.23Å; D571-S607 WeakPolarHBondContact OD2-CB 3.25Å
572	R	90.9	Very high	87.4	Confident	53 Å²	53	68.4 Å²	68.4	20%	0.2	34%	0.341	C	S	.	.	H	α-helix	trans	-63.8	-42.8	174.4	176.1	176.6	164	-172.1	-9.1	113.2	Q531 Y534 N536 L539 G568 I569 L570 T576 A608	Q531-R572 PolarHBondContact O-NH1 2.89Å; Y534-R572 PolarHBondContact O-NH2 3.26Å; N536-R572 PolarHBondContact OD1-NE 3.48Å; N536-R572 PolarHBondContact OD1-NH2 3.36Å; L539-R572 VanDerWaalsContact CD1-CZ 3.49Å; G568-R572 PolarHBondContact O-N 3.25Å; I569-R572 PolarHBondContact O-N 2.98Å; L570-R572 VanDerWaalsContact C-N 3.28Å; L570-R572 PolarHBondContact O-N 3.17Å; R572-T576 PolarHBondContact O-N 3.18Å; R572-T576 PolarHBondContact O-OG1 2.84Å; R572-A608 HydrophobicContact CB-CB 4.46Å
573	L	93.2	Very high	85.1	Confident	34 Å²	34	73.6 Å²	73.6	18%	0.178	37%	0.369	C	S	.	.	H	α-helix	trans	-69.6	-39.9	-179.7	-69.6	176.7	0	0	0	111.6	N536 L539 A540 L544 I569 L570 T576 S577	N536-L573 HydrophobicContact CB-CD2 3.67Å; L539-L573 HydrophobicContact CB-CD2 4.42Å; A540-L573 HydrophobicContact CB-CD1 4.09Å; L544-L573 HydrophobicContact CD1-CD1 3.52Å; I569-L573 HydrophobicContact CG2-CD1 4.12Å; I569-L573 HydrophobicContact CG2-CG 4.41Å; I569-L573 WeakPolarHBondContact O-CG 3.16Å; I569-L573 PolarHBondContact O-N 2.88Å; L570-L573 PolarHBondContact O-N 2.93Å; L573-T576 PolarHBondContact O-N 3.29Å; L573-S577 WeakPolarHBondContact O-CB 3.44Å; L573-S577 PolarHBondContact O-N 3.05Å
574	E	94.4	Very high	82.4	Confident	115 Å²	115	77.2 Å²	77.2	54%	0.537	39%	0.387	S	S	.	.	H	α-helix	trans	-59.1	-49.4	173.4	-75	175.2	-170.1	0	0	110.3	L570 T576 S577 E578	L570-E574 WeakPolarHBondContact O-CB 3.5Å; L570-E574 WeakPolarHBondContact O-CG 3.44Å; L570-E574 PolarHBondContact O-N 2.91Å; E574-T576 VanDerWaalsContact C-N 3.32Å; E574-T576 PolarHBondContact O-N 3.08Å; E574-S577 WeakPolarHBondContact O-CA 3.28Å; E574-S577 WeakPolarHBondContact O-CB 3.31Å; E574-S577 PolarHBondContact O-N 3.18Å; E574-E578 WeakPolarHBondContact O-CG 3.42Å; E574-E578 PolarHBondContact O-N 3.35Å
575	H	88.7	Confident	80	Confident	76 Å²	76	80 Å²	80	35%	0.352	41%	0.407	S	S	.	.	H	α-helix	trans	-61.9	-38.7	178.3	-162	61.4	0	0	0	112.9	D571 S577 E578 H579	D571-H575 WeakPolarHBondContact O-CB 3.4Å; D571-H575 PolarHBondContact O-N 3.03Å; H575-S577 VanDerWaalsContact C-N 3.33Å; H575-E578 IonicContact ND1-OE2 3.44Å; H575-H579 PolarHBondContact O-N 2.88Å
576	T	88.2	Confident	77.4	Confident	53 Å²	53	85.3 Å²	85.3	33%	0.325	44%	0.439	S	S	.	.	H	α-helix	trans	-64.6	-40.9	173.8	-52	0	0	0	0	110.8	N536 R572 L573 E574 H579 N580	N536-T576 WeakPolarHBondContact ND2-CG2 3.29Å; N536-T576 PolarHBondContact ND2-OG1 3.41Å; N536-T576 VanDerWaalsContact ND2-OG1 3.14Å; R572-T576 PolarHBondContact O-N 3.18Å; R572-T576 PolarHBondContact O-OG1 2.84Å; L573-T576 PolarHBondContact O-N 3.29Å; E574-T576 VanDerWaalsContact C-N 3.32Å; E574-T576 PolarHBondContact O-N 3.08Å; T576-H579 PolarHBondContact O-N 3.22Å; T576-N580 WeakPolarHBondContact O-CB 3.25Å; T576-N580 PolarHBondContact O-N 3.43Å
577	S	89.9	Confident	74.3	Confident	80 Å²	80	91.3 Å²	91.3	56%	0.559	47%	0.472	S	S	*	.	H	α-helix	trans	-62.3	-46.6	179.2	-171.9	0	0	0	0	111.5	L573 E574 H575 H579 N580 T581	L573-S577 WeakPolarHBondContact O-CB 3.44Å; L573-S577 PolarHBondContact O-N 3.05Å; E574-S577 WeakPolarHBondContact O-CA 3.28Å; E574-S577 WeakPolarHBondContact O-CB 3.31Å; E574-S577 PolarHBondContact O-N 3.18Å; H575-S577 VanDerWaalsContact C-N 3.33Å; S577-H579 VanDerWaalsContact C-N 3.34Å; S577-H579 PolarHBondContact O-N 3.25Å; S577-N580 PolarHBondContact O-N 2.88Å; S577-T581 PolarHBondContact O-N 3.12Å; S577-T581 PolarHBondContact O-OG1 2.76Å
578	E	87.8	Confident	71.2	Confident	127 Å²	127	90.8 Å²	90.8	59%	0.593	48%	0.481	S	S	*	.	H	α-helix	trans	-57.3	-46.1	177.5	-69.9	176.2	165.5	0	0	111.6	E574 H575 N580 T581 S582	E574-E578 WeakPolarHBondContact O-CG 3.42Å; E574-E578 PolarHBondContact O-N 3.35Å; H575-E578 IonicContact ND1-OE2 3.44Å; E578-N580 PolarHBondContact O-N 3.06Å; E578-T581 PolarHBondContact O-N 3.37Å; E578-T581 PolarHBondContact O-OG1 3.14Å; E578-S582 PolarHBondContact O-N 3.47Å
579	H	74.1	Confident	68.3	Low	119 Å²	119	95.8 Å²	95.8	55%	0.551	52%	0.516	S	S	*	.	H	α-helix	trans	-71.4	-30.8	-177.4	-142.7	-72.8	0	0	0	113.3	H575 T576 S577 S582 N583	H575-H579 PolarHBondContact O-N 2.88Å; T576-H579 PolarHBondContact O-N 3.22Å; S577-H579 VanDerWaalsContact C-N 3.34Å; S577-H579 PolarHBondContact O-N 3.25Å; H579-S582 PolarHBondContact O-N 2.94Å; H579-N583 PolarHBondContact O-N 2.83Å
580	N	60.1	Low	65.4	Low	107 Å²	107	104.3 Å²	104.3	57%	0.572	56%	0.555	S	S	*	*	H	α-helix	trans	-72.2	-32.1	179.2	-140.2	11.6	0	0	0	112	T576 S577 E578	T576-N580 WeakPolarHBondContact O-CB 3.25Å; T576-N580 PolarHBondContact O-N 3.43Å; S577-N580 PolarHBondContact O-N 2.88Å; E578-N580 PolarHBondContact O-N 3.06Å
581	T	56.3	Low	62.1	Low	88 Å²	88	106.7 Å²	106.7	54%	0.54	57%	0.573	S	S	.	*	H	α-helix	trans	-69	-36.6	170.7	14.9	0	0	0	0	112.6	S577 E578 N583 Q584	S577-T581 PolarHBondContact O-N 3.12Å; S577-T581 PolarHBondContact O-OG1 2.76Å; E578-T581 PolarHBondContact O-N 3.37Å; E578-T581 PolarHBondContact O-OG1 3.14Å; T581-N583 VanDerWaalsContact C-N 3.35Å; T581-N583 PolarHBondContact O-N 2.88Å; T581-Q584 PolarHBondContact O-N 3Å
582	S	54.7	Low	58.8	Low	80 Å²	80	109.6 Å²	109.6	56%	0.559	60%	0.597	S	S	*	*	H	α-helix	trans	-70.4	-29	-176	-144.5	0	0	0	0	113.3	E578 H579	E578-S582 PolarHBondContact O-N 3.47Å; H579-S582 PolarHBondContact O-N 2.94Å
583	N	47.9	Very low	55.8	Low	109 Å²	109	113 Å²	113	58%	0.583	63%	0.629	S	S	*	*	H	α-helix	trans	-78.3	-19	175.4	-91	9.2	0	0	0	114.1	H579 T581 M585	H579-N583 PolarHBondContact O-N 2.83Å; T581-N583 VanDerWaalsContact C-N 3.35Å; T581-N583 PolarHBondContact O-N 2.88Å; N583-M585 VanDerWaalsContact C-N 3.27Å; N583-M585 PolarHBondContact O-N 2.82Å
584	Q	41	Very low	52.6	Low	158 Å²	158	116.6 Å²	116.6	74%	0.738	66%	0.657	S	S	*	*	H	α-helix	trans	-76.7	-13.8	175.1	-78.9	-172.5	61.2	0	0	113.2	T581	T581-Q584 PolarHBondContact O-N 3Å
585	M	45.3	Very low	49.5	Very low	171 Å²	171	118 Å²	118	84%	0.842	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	2.3	-179.7	-79.5	171.8	173.1	0	0	114.9	N583	N583-M585 VanDerWaalsContact C-N 3.27Å; N583-M585 PolarHBondContact O-N 2.82Å
586	T	40.4	Very low	46.5	Very low	110 Å²	110	121.6 Å²	121.6	68%	0.675	69%	0.69	S	S	*	*			trans	-128.6	58.2	173.6	63.5	0	0	0	0	111
587	N	32.7	Very low	43.7	Very low	151 Å²	151	125.3 Å²	125.3	81%	0.807	72%	0.715	S	S	*	*			trans	-116	53.8	165.7	-138.7	18.5	0	0	0	108.8
588	D	32.5	Very low	40.7	Very low	151 Å²	151	126 Å²	126	81%	0.807	72%	0.719	S	S	*	*	S	Bend	trans	-148	109	165.1	-88.6	-36.6	0	0	0	109.4
589	S	32.5	Very low	37.8	Very low	111 Å²	111	131.2 Å²	131.2	78%	0.776	73%	0.734	S	S	*	*			trans	77.8	126.3	155.4	-54.2	0	0	0	0	120.1
590	Q	33.4	Very low	35.4	Very low	179 Å²	179	131.2 Å²	131.2	84%	0.836	74%	0.742	S	S	*	*			trans	98.8	86.4	157	-58.1	-175.3	10.1	0	0	119.1
591	T	26.4	Very low	34	Very low	119 Å²	119	131.4 Å²	131.4	73%	0.73	75%	0.747	S	S	*	*				34.1	111.4	119.2	58.2	0	0	0	0	119.7
592	S	25.4	Very low	32.7	Very low	110 Å²	110	132.5 Å²	132.5	77%	0.769	75%	0.754	S	S	*	*			trans	49.9	104	135.9	53.5	0	0	0	0	119.4
593	S	27.5	Very low	31.8	Very low	126 Å²	126	133.3 Å²	133.3	88%	0.881	76%	0.759	S	S	*	*			trans	-172.7	150.4	132	33.5	0	0	0	0	111.3
594	S	26.2	Very low	31.4	Very low	108 Å²	108	128.9 Å²	128.9	76%	0.755	74%	0.74	S	S	*	*			trans	-65.8	157	-161.1	-47.7	0	0	0	0	117.4
595	D	27.6	Very low	31.4	Very low	146 Å²	146	124.4 Å²	124.4	78%	0.781	73%	0.73	S	S	*	*			trans	32.1	112.4	141.2	-64.2	-32	0	0	0	119.6
596	N	25.7	Very low	31.7	Very low	150 Å²	150	119.9 Å²	119.9	80%	0.802	72%	0.715	S	S	*	*			trans	-153.7	99.2	146.4	-109.7	-24.7	0	0	0	109.9	S598	N596-S598 PolarHBondContact O-N 3.3Å
597	P	29.9	Very low	32.2	Very low	131 Å²	131	117.3 Å²	117.3	85%	0.851	70%	0.701	S	S	*	*			trans	-85.8	80.4	169.7	33.4	-27.9	0	0	0	108.9
598	S	26.4	Very low	33.2	Very low	94 Å²	94	111 Å²	111	66%	0.657	67%	0.67	S	S	*	*			trans	-145.7	62.8	165.3	69.4	0	0	0	0	111	N596	N596-S598 PolarHBondContact O-N 3.3Å
599	R	26.8	Very low	34.9	Very low	237 Å²	237	106.7 Å²	106.7	89%	0.894	65%	0.652	S	S	*	*			trans	-121.9	99.2	163	-81	-172.1	179.5	-142.8	1.4	110	V601	R599-V601 PolarHBondContact O-N 3.03Å
600	T	25	Very low	36.5	Very low	119 Å²	119	103.8 Å²	103.8	73%	0.73	64%	0.635	S	S	*	*			trans	-43.5	95	159.5	-48.4	0	0	0	0	110.4	T602	T600-T602 VanDerWaalsContact C-N 3.28Å; T600-T602 HydrophobicContact CG2-CG2 3.49Å; T600-T602 VanDerWaalsContact CG2-CG2 3.49Å; T600-T602 PolarHBondContact O-N 3.45Å; T600-T602 VanDerWaalsContact O-N 3.11Å
601	V	30.8	Very low	38	Very low	112 Å²	112	95.6 Å²	95.6	68%	0.679	60%	0.597	S	S	*	*			trans	-81.8	82.6	168.5	-179.2	0	0	0	0	107.4	R599	R599-V601 PolarHBondContact O-N 3.03Å
602	T	29.1	Very low	40.1	Very low	110 Å²	110	90.4 Å²	90.4	68%	0.675	57%	0.565	S	S	*	*			trans	-89.2	110.4	172.8	34.6	0	0	0	0	109.8	T600	T600-T602 VanDerWaalsContact C-N 3.28Å; T600-T602 HydrophobicContact CG2-CG2 3.49Å; T600-T602 VanDerWaalsContact CG2-CG2 3.49Å; T600-T602 PolarHBondContact O-N 3.45Å; T600-T602 VanDerWaalsContact O-N 3.11Å
603	S	35.3	Very low	42.3	Very low	97 Å²	97	91.3 Å²	91.3	68%	0.678	56%	0.557	S	S	*	*	S	Bend	trans	144.9	-26.3	136.6	59.1	0	0	0	0	115.9	S606	S603-S606 WeakPolarHBondContact O-CB 3.41Å; S603-S606 PolarHBondContact O-OG 3.18Å
604	G	38.8	Very low	44.8	Very low	16 Å²	16	88 Å²	88	17%	0.165	53%	0.525	C	S	.	.	S	Bend	trans	-90.6	-34.2	-178	0	0	0	0	0	115	S606 S607	G604-S606 PolarHBondContact O-N 2.81Å; G604-S607 PolarHBondContact O-N 2.85Å
605	A	42.6	Very low	46.6	Very low	65 Å²	65	82.9 Å²	82.9	54%	0.537	49%	0.489	S	S	.	.	H	α-helix	trans	-56.9	-21.1	172.2	0	0	0	0	0	112.1	S609	A605-S609 WeakPolarHBondContact O-CB 3.19Å; A605-S609 PolarHBondContact O-N 2.98Å
606	S	50.5	Low	48.8	Very low	75 Å²	75	78.9 Å²	78.9	52%	0.524	47%	0.467	S	S	.	.	H	α-helix	trans	-64.3	-41.6	-179.4	-55.7	0	0	0	0	113.5	S603 G604 A610	S603-S606 WeakPolarHBondContact O-CB 3.41Å; S603-S606 PolarHBondContact O-OG 3.18Å; G604-S606 PolarHBondContact O-N 2.81Å; S606-A610 WeakPolarHBondContact O-CA 3.34Å; S606-A610 WeakPolarHBondContact O-CB 3.28Å; S606-A610 PolarHBondContact O-N 3.09Å
607	S	51.1	Low	50.5	Low	56 Å²	56	75.2 Å²	75.2	39%	0.392	45%	0.453	S	S	.	.	H	α-helix	trans	-78.1	-46	-175.1	-67.6	0	0	0	0	112.4	D571 G604 A610 L611	D571-S607 VanDerWaalsContact OD2-CB 3.23Å; D571-S607 WeakPolarHBondContact OD2-CB 3.25Å; G604-S607 PolarHBondContact O-N 2.85Å; S607-A610 PolarHBondContact O-N 3.04Å; S607-L611 PolarHBondContact O-N 3.05Å
608	A	54.6	Low	51.5	Low	18 Å²	18	70.2 Å²	70.2	15%	0.149	42%	0.423	C	S	.	.	H	α-helix	trans	-62.2	-43.3	173	0	0	0	0	0	111.2	Q531 R572 L611 T612	Q531-A608 PolarHBondContact NE2-O 3.1Å; R572-A608 HydrophobicContact CB-CB 4.46Å; A608-L611 WeakPolarHBondContact O-CB 2.98Å; A608-L611 PolarHBondContact O-N 3.34Å; A608-T612 PolarHBondContact O-N 3.48Å; A608-T612 PolarHBondContact O-OG1 2.87Å
609	S	67.2	Low	53.4	Low	62 Å²	62	66 Å²	66	43%	0.434	39%	0.393	S	S	.	.	H	α-helix	trans	-62.8	-40.6	172.9	-178	0	0	0	0	112.1	A605 L611 T612 Q613	A605-S609 WeakPolarHBondContact O-CB 3.19Å; A605-S609 PolarHBondContact O-N 2.98Å; S609-L611 VanDerWaalsContact C-N 3.33Å; S609-L611 PolarHBondContact O-N 3.3Å; S609-T612 PolarHBondContact O-N 3.22Å; S609-Q613 VanDerWaalsContact O-CB 3.27Å; S609-Q613 WeakPolarHBondContact O-CB 3.42Å; S609-Q613 PolarHBondContact O-N 3.36Å
610	A	66.1	Low	54.8	Low	49 Å²	49	57.2 Å²	57.2	41%	0.405	37%	0.368	S	S	.	.	H	α-helix	trans	-64.4	-37	175.9	0	0	0	0	0	112.2	S606 S607 Q613 W614	S606-A610 WeakPolarHBondContact O-CA 3.34Å; S606-A610 WeakPolarHBondContact O-CB 3.28Å; S606-A610 PolarHBondContact O-N 3.09Å; S607-A610 PolarHBondContact O-N 3.04Å; A610-Q613 PolarHBondContact O-N 2.92Å; A610-W614 WeakPolarHBondContact O-CB 3.02Å; A610-W614 PolarHBondContact O-N 3.44Å
611	L	65.7	Low	55.3	Low	8 Å²	8	58.5 Å²	58.5	4%	0.042	36%	0.364	C	S	.	.	H	α-helix	trans	-63.2	-49.7	173.1	-170.5	112.7	0	0	0	110.9	A528 R564 A565 S607 A608 S609 Q613 A615	A528-L611 HydrophobicContact CB-CD2 3.44Å; A528-L611 VanDerWaalsContact CB-CD2 3.44Å; A528-L611 HydrophobicContact CB-CG 4.04Å; R564-L611 HydrophobicContact CG-CD1 4.36Å; R564-L611 WeakPolarHBondContact O-CD1 3.47Å; A565-L611 VanDerWaalsContact CA-CD1 3.48Å; S607-L611 PolarHBondContact O-N 3.05Å; A608-L611 WeakPolarHBondContact O-CB 2.98Å; A608-L611 PolarHBondContact O-N 3.34Å; S609-L611 VanDerWaalsContact C-N 3.33Å; S609-L611 PolarHBondContact O-N 3.3Å; L611-Q613 VanDerWaalsContact C-N 3.31Å; L611-Q613 PolarHBondContact O-N 3.05Å; L611-A615 WeakPolarHBondContact O-CB 3.31Å; L611-A615 PolarHBondContact O-N 3.24Å
612	T	70.6	Confident	55.6	Low	10 Å²	10	56.5 Å²	56.5	6%	0.061	36%	0.355	C	S	.	.	H	α-helix	trans	-59	-43.1	176.2	-57.8	0	0	0	0	110.5	Q531 E532 A608 S609 A615 L616	Q531-T612 PolarHBondContact NE2-OG1 3.18Å; E532-T612 PolarHBondContact OE1-OG1 3.27Å; A608-T612 PolarHBondContact O-N 3.48Å; A608-T612 PolarHBondContact O-OG1 2.87Å; S609-T612 PolarHBondContact O-N 3.22Å; T612-A615 PolarHBondContact O-N 3.34Å; T612-L616 HydrophobicContact CG2-CD1 3.84Å; T612-L616 HydrophobicContact CG2-CG 4.19Å; T612-L616 WeakPolarHBondContact O-CB 3.16Å; T612-L616 VanDerWaalsContact O-CG 3.24Å; T612-L616 WeakPolarHBondContact O-CG 3.21Å; T612-L616 PolarHBondContact O-N 2.95Å
613	Q	70.4	Confident	55.6	Low	128 Å²	128	54.3 Å²	54.3	60%	0.598	34%	0.344	S	S	*	.	H	α-helix	trans	-68.2	-44.4	-178.3	-171.3	177.6	23	0	0	112.9	S609 A610 L611 A615 S617	S609-Q613 VanDerWaalsContact O-CB 3.27Å; S609-Q613 WeakPolarHBondContact O-CB 3.42Å; S609-Q613 PolarHBondContact O-N 3.36Å; A610-Q613 PolarHBondContact O-N 2.92Å; L611-Q613 VanDerWaalsContact C-N 3.31Å; L611-Q613 PolarHBondContact O-N 3.05Å; Q613-A615 VanDerWaalsContact C-N 3.28Å; Q613-A615 PolarHBondContact O-N 2.72Å; Q613-S617 WeakPolarHBondContact O-CB 3.41Å; Q613-S617 PolarHBondContact O-N 3.3Å; Q613-S617 PolarHBondContact O-OG 2.73Å
614	W	81.3	Confident	55.2	Low	57 Å²	57	61 Å²	61	22%	0.216	35%	0.354	C	S	.	.	H	α-helix	trans	-58.5	-45	171.2	161.2	72.9	0	0	0	110.5	A528 D561 R564 A610 S617 A618	A528-W614 HydrophobicContact CB-CZ3 4.08Å; D561-W614 HydrophobicContact CB-CH2 4.07Å; D561-W614 HydrophobicContact CB-CZ2 4.37Å; D561-W614 WeakPolarHBondContact OD1-CZ2 3.19Å; R564-W614 VanDerWaalsContact NH1-NE1 3.1Å; A610-W614 WeakPolarHBondContact O-CB 3.02Å; A610-W614 PolarHBondContact O-N 3.44Å; W614-S617 WeakPolarHBondContact O-CB 3.23Å; W614-S617 PolarHBondContact O-N 3.21Å; W614-A618 WeakPolarHBondContact O-CB 3.41Å; W614-A618 PolarHBondContact O-N 2.67Å
615	A	63.5	Low	55.1	Low	0 Å²	0	63.2 Å²	63.2	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-66.7	-44.6	-176.8	0	0	0	0	0	112	T525 A528 A529 L611 T612 Q613 S617 A618 L619	T525-A615 HydrophobicContact CG2-CB 3.93Å; T525-A615 WeakPolarHBondContact CG2-O 3.33Å; T525-A615 WeakPolarHBondContact O-CB 3.15Å; A528-A615 HydrophobicContact CB-CB 3.68Å; A529-A615 HydrophobicContact CB-CB 3.7Å; L611-A615 WeakPolarHBondContact O-CB 3.31Å; L611-A615 PolarHBondContact O-N 3.24Å; T612-A615 PolarHBondContact O-N 3.34Å; Q613-A615 VanDerWaalsContact C-N 3.28Å; Q613-A615 PolarHBondContact O-N 2.72Å; A615-S617 VanDerWaalsContact C-N 3.32Å; A615-S617 PolarHBondContact O-N 3.09Å; A615-A618 CarbonylContact O-C 3.55Å; A615-A618 PolarHBondContact O-N 2.69Å; A615-L619 VanDerWaalsContact O-CG 3.31Å; A615-L619 WeakPolarHBondContact O-CG 3.46Å; A615-L619 PolarHBondContact O-N 3.39Å
616	L	72.7	Confident	54.5	Low	62 Å²	62	64.5 Å²	64.5	33%	0.325	36%	0.359	S	S	.	.	H	α-helix	trans	-60.3	-42	173.3	-71.4	173.9	0	0	0	111.4	A529 T612 A618 L619 S620	A529-L616 HydrophobicContact CB-CD2 4.06Å; A529-L616 HydrophobicContact CB-CG 4.33Å; T612-L616 HydrophobicContact CG2-CD1 3.84Å; T612-L616 HydrophobicContact CG2-CG 4.19Å; T612-L616 WeakPolarHBondContact O-CB 3.16Å; T612-L616 VanDerWaalsContact O-CG 3.24Å; T612-L616 WeakPolarHBondContact O-CG 3.21Å; T612-L616 PolarHBondContact O-N 2.95Å; L616-A618 VanDerWaalsContact C-N 3.33Å; L616-A618 PolarHBondContact O-N 3.46Å; L616-L619 PolarHBondContact O-N 3.25Å; L616-L619 VanDerWaalsContact O-N 3.14Å; L616-S620 PolarHBondContact O-N 3.3Å; L616-S620 PolarHBondContact O-OG 3.15Å
617	S	63	Low	53.5	Low	73 Å²	73	66.4 Å²	66.4	51%	0.51	37%	0.37	S	S	.	.	H	α-helix	trans	-62.3	-40.6	175.5	-55	0	0	0	0	111.9	Q613 W614 A615 L619 S620	Q613-S617 WeakPolarHBondContact O-CB 3.41Å; Q613-S617 PolarHBondContact O-N 3.3Å; Q613-S617 PolarHBondContact O-OG 2.73Å; W614-S617 WeakPolarHBondContact O-CB 3.23Å; W614-S617 PolarHBondContact O-N 3.21Å; A615-S617 VanDerWaalsContact C-N 3.32Å; A615-S617 PolarHBondContact O-N 3.09Å; S617-L619 VanDerWaalsContact C-N 3.31Å; S617-L619 PolarHBondContact O-N 2.74Å; S617-S620 WeakPolarHBondContact O-CB 3.46Å; S617-S620 PolarHBondContact O-N 3.06Å; S617-S620 VanDerWaalsContact O-N 3.16Å
618	A	51.1	Low	52.6	Low	26 Å²	26	67.2 Å²	67.2	22%	0.215	38%	0.375	C	S	.	.	H	α-helix	trans	-73.4	-17.8	176.1	0	0	0	0	0	113.6	T525 W614 A615 L616 F621	T525-A618 HydrophobicContact CG2-CB 3.58Å; W614-A618 WeakPolarHBondContact O-CB 3.41Å; W614-A618 PolarHBondContact O-N 2.67Å; A615-A618 CarbonylContact O-C 3.55Å; A615-A618 PolarHBondContact O-N 2.69Å; L616-A618 VanDerWaalsContact C-N 3.33Å; L616-A618 PolarHBondContact O-N 3.46Å; A618-F621 HydrophobicContact CB-CE2 4.39Å; A618-F621 WeakPolarHBondContact O-CD2 3.07Å
619	L	66.2	Low	51.3	Low	6 Å²	6	70.8 Å²	70.8	3%	0.031	40%	0.399	C	S	.	.	H	α-helix	trans	-85.7	-20.2	168.2	-65.5	170	0	0	0	111.9	V486 A489 K490 T525 A529 A615 L616 S617 F621	V486-L619 HydrophobicContact CB-CD2 4.41Å; V486-L619 HydrophobicContact CG1-CB 4.45Å; V486-L619 HydrophobicContact CG1-CD2 4.22Å; V486-L619 HydrophobicContact CG2-CD2 4.02Å; A489-L619 HydrophobicContact CB-CD1 3.61Å; A489-L619 HydrophobicContact CB-CD2 4.24Å; K490-L619 WeakPolarHBondContact CE-O 3.43Å; K490-L619 PolarHBondContact NZ-O 3.46Å; T525-L619 HydrophobicContact CG2-CD2 4.02Å; T525-L619 HydrophobicContact CG2-CG 3.8Å; A529-L619 HydrophobicContact CB-CD1 3.59Å; A615-L619 VanDerWaalsContact O-CG 3.31Å; A615-L619 WeakPolarHBondContact O-CG 3.46Å; A615-L619 PolarHBondContact O-N 3.39Å; L616-L619 PolarHBondContact O-N 3.25Å; L616-L619 VanDerWaalsContact O-N 3.14Å; S617-L619 VanDerWaalsContact C-N 3.31Å; S617-L619 PolarHBondContact O-N 2.74Å; L619-F621 PolarHBondContact O-N 3.12Å
620	S	55.9	Low	49.5	Very low	53 Å²	53	72.8 Å²	72.8	37%	0.371	41%	0.413	S	S	.	.			trans	-78.9	10.5	178.9	-67.8	0	0	0	0	114.3	L616 S617 S622	L616-S620 PolarHBondContact O-N 3.3Å; L616-S620 PolarHBondContact O-OG 3.15Å; S617-S620 WeakPolarHBondContact O-CB 3.46Å; S617-S620 PolarHBondContact O-N 3.06Å; S617-S620 VanDerWaalsContact O-N 3.16Å; S620-S622 VanDerWaalsContact C-N 3.3Å; S620-S622 PolarHBondContact O-N 3.06Å; S620-S622 PolarHBondContact O-OG 3.15Å
621	F	35.7	Very low	47.5	Very low	146 Å²	146	76.7 Å²	76.7	64%	0.64	43%	0.432	S	S	*	.			trans	-61.5	95.9	167	-74.5	-69.7	0	0	0	110.2	A618 L619 I625	A618-F621 HydrophobicContact CB-CE2 4.39Å; A618-F621 WeakPolarHBondContact O-CD2 3.07Å; L619-F621 PolarHBondContact O-N 3.12Å; F621-I625 HydrophobicContact CB-CD1 3.58Å; F621-I625 HydrophobicContact CB-CG1 4.34Å
622	S	35.7	Very low	45.6	Very low	70 Å²	70	81.6 Å²	81.6	49%	0.49	46%	0.463	S	S	.	.			trans	-74.4	142.4	177.4	-71.9	0	0	0	0	112.1	S620 R624	S620-S622 VanDerWaalsContact C-N 3.3Å; S620-S622 PolarHBondContact O-N 3.06Å; S620-S622 PolarHBondContact O-OG 3.15Å; S622-R624 PolarHBondContact O-N 3.41Å
623	S	30	Very low	43.3	Very low	63 Å²	63	87.6 Å²	87.6	44%	0.441	50%	0.499	S	S	.	.	S	Bend	trans	55.4	-4.4	151.7	57	0	0	0	0	124	F794	S623-F794 WeakPolarHBondContact OG-CE1 3.27Å; S623-F794 WeakPolarHBondContact OG-CZ 3.2Å
624	R	26.8	Very low	41.3	Very low	238 Å²	238	87.6 Å²	87.6	90%	0.898	51%	0.508	S	S	*	.			trans	-141.7	67.6	163.2	-71.2	-168.7	-165.3	-175.8	6.1	114	S622	S622-R624 PolarHBondContact O-N 3.41Å
625	I	36.4	Very low	38.6	Very low	63 Å²	63	90.9 Å²	90.9	32%	0.323	54%	0.535	S	S	.	.	S	Bend	trans	-107.3	97.1	170	-49.5	-176.7	0	0	0	108.7	F621	F621-I625 HydrophobicContact CB-CD1 3.58Å; F621-I625 HydrophobicContact CB-CG1 4.34Å
626	L	29.8	Very low	36.8	Very low	92 Å²	92	95.5 Å²	95.5	48%	0.482	57%	0.573	S	S	.	*			trans	61.3	99.4	168.5	-60.6	166.4	0	0	0	116.8	F516 P518 S628	F516-L626 HydrophobicContact CE1-CD1 4.37Å; F516-L626 HydrophobicContact CZ-CD1 3.9Å; P518-L626 HydrophobicContact CG-CD1 4.26Å; L626-S628 PolarHBondContact O-N 3.33Å
627	P	28.9	Very low	34.5	Very low	114 Å²	114	98.9 Å²	98.9	74%	0.74	60%	0.596	S	S	*	*			trans	-54.3	128.8	155.2	-16.4	29.3	0	0	0	108.9	S629	P627-S629 PolarHBondContact O-N 2.92Å
628	S	33	Very low	32.6	Very low	73 Å²	73	101.8 Å²	101.8	51%	0.51	61%	0.612	S	S	.	*	S	Bend	trans	-71.8	77.1	175.6	34.3	0	0	0	0	110.1	L626	L626-S628 PolarHBondContact O-N 3.33Å
629	S	27.6	Very low	31.4	Very low	94 Å²	94	110.1 Å²	110.1	66%	0.657	64%	0.643	S	S	*	*			trans	-137.3	82.2	169.8	62.7	0	0	0	0	110.7	P627	P627-S629 PolarHBondContact O-N 2.92Å
630	S	28.1	Very low	29.4	Very low	103 Å²	103	115.6 Å²	115.6	72%	0.72	68%	0.682	S	S	*	*			trans	-109.5	66.9	156.3	52.7	0	0	0	0	109.1	T632	S630-T632 PolarHBondContact O-N 3.4Å
631	T	24.9	Very low	28.1	Very low	131 Å²	131	118.4 Å²	118.4	80%	0.804	70%	0.701	S	S	*	*			trans	-69.2	87.2	157.8	1.4	0	0	0	0	107.1	T633	T631-T633 PolarHBondContact O-N 3.19Å
632	T	25.5	Very low	27.5	Very low	112 Å²	112	118.4 Å²	118.4	69%	0.687	71%	0.708	S	S	*	*			trans	-83.4	101.6	165.1	34.1	0	0	0	0	107.6	S630 T634	S630-T632 PolarHBondContact O-N 3.4Å; T632-T634 VanDerWaalsContact C-N 3.28Å; T632-T634 PolarHBondContact O-N 3.28Å
633	T	23.4	Very low	27.3	Very low	135 Å²	135	121.4 Å²	121.4	83%	0.828	72%	0.723	S	S	*	*			trans	-60.2	91.7	160.5	30.3	0	0	0	0	108.3	T631 T635	T631-T633 PolarHBondContact O-N 3.19Å; T633-T635 PolarHBondContact O-N 3.26Å
634	T	27.3	Very low	27	Very low	128 Å²	128	125.2 Å²	125.2	79%	0.785	74%	0.739	S	S	*	*			trans	-85	98.4	170.1	29.3	0	0	0	0	108.1	T632 A636	T632-T634 VanDerWaalsContact C-N 3.28Å; T632-T634 PolarHBondContact O-N 3.28Å; T634-A636 PolarHBondContact O-N 3.18Å
635	T	24.5	Very low	27.3	Very low	126 Å²	126	120 Å²	120	77%	0.773	73%	0.733	S	S	*	*			trans	-63.4	109.2	164	30.8	0	0	0	0	108.8	T633 T637	T633-T635 PolarHBondContact O-N 3.26Å; T635-T637 PolarHBondContact O-N 2.6Å; T635-T637 VanDerWaalsContact O-N 3.11Å
636	A	25.3	Very low	26.8	Very low	97 Å²	97	125.1 Å²	125.1	80%	0.802	76%	0.756	S	S	*	*			trans	-60.3	109.1	171.4	0	0	0	0	0	109.8	T634	T634-A636 PolarHBondContact O-N 3.18Å
637	T	25.4	Very low	26.5	Very low	133 Å²	133	125.6 Å²	125.6	82%	0.816	77%	0.767	S	S	*	*			trans	-111.3	98.7	162.2	37.9	0	0	0	0	108.2	T635 K639	T635-T637 PolarHBondContact O-N 2.6Å; T635-T637 VanDerWaalsContact O-N 3.11Å; T637-K639 PolarHBondContact O-N 3.29Å
638	T	22.6	Very low	26.7	Very low	135 Å²	135	126.8 Å²	126.8	83%	0.828	77%	0.772	S	S	*	*			trans	-61.2	113.4	166.2	33.5	0	0	0	0	109.9
639	K	26.4	Very low	26.4	Very low	201 Å²	201	128.4 Å²	128.4	87%	0.874	78%	0.783	S	S	*	*			trans	-136.1	103.8	154.4	-82.4	-168.3	177.8	178.4	0	109.9	T637	T637-K639 PolarHBondContact O-N 3.29Å
640	S	23.7	Very low	26.2	Very low	121 Å²	121	134.1 Å²	134.1	85%	0.846	79%	0.792	S	S	*	*			trans	-60	131	159.7	47.6	0	0	0	0	110.9
641	S	29.6	Very low	26.4	Very low	111 Å²	111	135.4 Å²	135.4	78%	0.776	80%	0.798	S	S	*	*			trans	-150.2	108.5	152.2	58	0	0	0	0	108.8
642	D	23.3	Very low	26.5	Very low	147 Å²	147	133.9 Å²	133.9	79%	0.786	79%	0.793	S	S	*	*			trans	-47.5	137.9	162.4	-88.3	-43.4	0	0	0	111.6
643	T	31.2	Very low	26.6	Very low	133 Å²	133	136.9 Å²	136.9	82%	0.816	80%	0.804	S	S	*	*			trans	-152.1	108.4	142.8	-29.5	0	0	0	0	109.2
644	D	23.3	Very low	26.7	Very low	142 Å²	142	135.1 Å²	135.1	76%	0.759	80%	0.796	S	S	*	*			trans	-60.2	131.9	169.5	-63.4	-63	0	0	0	111.8
645	V	32.1	Very low	26.9	Very low	130 Å²	130	137.3 Å²	137.3	79%	0.788	80%	0.802	S	S	*	*			trans	-144.3	95	153.9	-173.4	0	0	0	0	110
646	E	26.3	Very low	26.8	Very low	170 Å²	170	136.5 Å²	136.5	79%	0.794	80%	0.802	S	S	*	*				51.1	105.3	122	-151.2	158	-162.3	0	0	121.3
647	S	24.5	Very low	26.8	Very low	101 Å²	101	136.4 Å²	136.4	71%	0.706	80%	0.801	S	S	*	*				50.7	118.7	124.9	-49.5	0	0	0	0	121.4
648	T	31.6	Very low	27	Very low	140 Å²	140	135.9 Å²	135.9	86%	0.859	80%	0.803	S	S	*	*				-165.3	107.6	125.8	12	0	0	0	0	113.5
649	S	27.3	Very low	27.1	Very low	106 Å²	106	138.6 Å²	138.6	74%	0.741	81%	0.806	S	S	*	*			trans	24.6	127.6	142.2	57.6	0	0	0	0	123.7
650	Y	24.6	Very low	27.1	Very low	215 Å²	215	140 Å²	140	84%	0.843	81%	0.806	S	S	*	*			trans	-56.3	162.7	160.2	-61.4	-91.3	0	0	0	116
651	P	31.7	Very low	27	Very low	130 Å²	130	141.6 Å²	141.6	84%	0.844	81%	0.805	S	S	*	*				-127.6	125.7	120.4	34	-24	0	0	0	112.1
652	S	26.4	Very low	27	Very low	99 Å²	99	144.7 Å²	144.7	69%	0.692	81%	0.805	S	S	*	*			trans	-80.6	131.7	175	-41.4	0	0	0	0	110.4
653	L	28.8	Very low	27.1	Very low	175 Å²	175	144.7 Å²	144.7	92%	0.916	81%	0.805	S	S	*	*			trans	-114.3	99.8	159.6	-86.1	166.9	0	0	0	108.6
654	S	25.4	Very low	26.9	Very low	97 Å²	97	143 Å²	143	68%	0.678	80%	0.798	S	S	*	*			trans	-82.6	123.3	167.3	53.9	0	0	0	0	109.7
655	L	29.9	Very low	27	Very low	174 Å²	174	144.2 Å²	144.2	91%	0.911	81%	0.805	S	S	*	*			trans	-117.8	112.7	150	-107.9	99.3	0	0	0	109
656	S	23.5	Very low	26.8	Very low	109 Å²	109	141.9 Å²	141.9	76%	0.762	81%	0.807	S	S	*	*			trans	-68.3	147	167.7	-52.5	0	0	0	0	111
657	A	26.3	Very low	26.7	Very low	96 Å²	96	141.8 Å²	141.8	79%	0.793	81%	0.811	S	S	*	*				144.7	147.4	118.3	0	0	0	0	0	114.1
658	S	28.5	Very low	26.8	Very low	121 Å²	121	145.5 Å²	145.5	85%	0.846	82%	0.817	S	S	*	*			trans	88.1	88.1	161.3	-83.5	0	0	0	0	119.1
659	Q	24.1	Very low	26.5	Very low	193 Å²	193	149.1 Å²	149.1	90%	0.902	82%	0.815	S	S	*	*			trans	-47.3	136.8	141.6	-63.5	175.1	-21.1	0	0	112
660	R	27	Very low	26.6	Very low	230 Å²	230	151.5 Å²	151.5	87%	0.868	82%	0.818	S	S	*	*			trans	-149.9	110.2	146	-151.9	172.7	-172.4	177	2.8	111.2
661	N	22	Very low	26.7	Very low	154 Å²	154	149.1 Å²	149.1	82%	0.824	82%	0.815	S	S	*	*			trans	-49.1	141.9	161.3	-99.3	-27.2	0	0	0	112.1
662	K	29.8	Very low	26.4	Very low	176 Å²	176	151.9 Å²	151.9	77%	0.765	82%	0.816	S	S	*	*			trans	-174.7	116.3	134.3	-102.9	168.5	-174.6	-169.7	0	112.4
663	N	25.8	Very low	26.6	Very low	147 Å²	147	156.4 Å²	156.4	79%	0.786	82%	0.824	S	S	*	*			trans	56.8	117.5	139.9	-65.8	3.1	0	0	0	121.7
664	S	25.2	Very low	26.4	Very low	98 Å²	98	155.7 Å²	155.7	69%	0.685	82%	0.82	S	S	*	*			trans	-35.2	138.4	144.1	52.5	0	0	0	0	115.1
665	N	26.2	Very low	26.4	Very low	167 Å²	167	156.6 Å²	156.6	89%	0.893	83%	0.825	S	S	*	*				178.8	137.8	129.2	-88.3	-12.3	0	0	0	109.5
666	G	27.7	Very low	26.1	Very low	81 Å²	81	152.7 Å²	152.7	84%	0.835	81%	0.812	S	S	*	*			trans	126	57.1	164.8	0	0	0	0	0	115.3
667	L	24.2	Very low	26.3	Very low	168 Å²	168	155 Å²	155	88%	0.88	82%	0.816	S	S	*	*			trans	-100.4	89	165.1	-146.2	161.2	0	0	0	106
668	E	27	Very low	26.2	Very low	180 Å²	180	157.9 Å²	157.9	84%	0.841	82%	0.818	S	S	*	*			trans	-105.5	95.9	178.9	-147.7	168.2	-154.9	0	0	108.3	I670	E668-I670 PolarHBondContact O-N 3.35Å
669	R	25.5	Very low	26.2	Very low	215 Å²	215	160.1 Å²	160.1	81%	0.811	82%	0.818	S	S	*	*			trans	-78.9	107.3	172	175.9	-174.2	-93.3	-119.3	0.2	106.8	E671	R669-E671 PolarHBondContact O-N 3.47Å
670	I	28.7	Very low	26.4	Very low	157 Å²	157	156.2 Å²	156.2	81%	0.805	81%	0.813	S	S	*	*			trans	-81	111.5	175.2	-64.1	173.4	0	0	0	108.1	E668	E668-I670 PolarHBondContact O-N 3.35Å
671	E	27.2	Very low	26.3	Very low	164 Å²	164	154 Å²	154	77%	0.766	81%	0.812	S	S	*	*			trans	-72.6	146.2	176.7	-70.4	177.2	152.5	0	0	112.4	R669 K673	R669-E671 PolarHBondContact O-N 3.47Å; E671-K673 PolarHBondContact O-N 2.89Å
672	E	25.7	Very low	26.5	Very low	188 Å²	188	154.7 Å²	154.7	88%	0.879	82%	0.816	S	S	*	*			trans	-59.7	116.3	174.5	-65.3	173	158.5	0	0	110.7	L674	E672-L674 PolarHBondContact O-N 3.25Å; E672-L674 VanDerWaalsContact O-N 3.1Å
673	K	29.8	Very low	26.3	Very low	195 Å²	195	149.9 Å²	149.9	85%	0.848	80%	0.804	S	S	*	*			trans	-73.6	100.1	174.9	-90.4	179.1	174.3	176.4	0	110.8	E671 C675	E671-K673 PolarHBondContact O-N 2.89Å; K673-C675 PolarHBondContact O-N 3.27Å
674	L	24.2	Very low	26.4	Very low	160 Å²	160	149.7 Å²	149.7	84%	0.838	80%	0.804	S	S	*	*			trans	-58.2	103.9	151.3	-86.2	152.6	0	0	0	109.6	E672	E672-L674 PolarHBondContact O-N 3.25Å; E672-L674 VanDerWaalsContact O-N 3.1Å
675	C	25.6	Very low	26.6	Very low	116 Å²	116	155 Å²	155	78%	0.784	81%	0.814	S	S	*	*			trans	-102.8	90.1	160	-79.6	0	0	0	0	108.6	K673 N677	K673-C675 PolarHBondContact O-N 3.27Å; C675-N677 PolarHBondContact O-N 2.9Å
676	S	23.3	Very low	26.6	Very low	92 Å²	92	152.9 Å²	152.9	64%	0.643	81%	0.812	S	S	*	*			trans	-68.6	108.9	162.3	-50.3	0	0	0	0	108.9
677	N	28.2	Very low	26.7	Very low	158 Å²	158	152.9 Å²	152.9	85%	0.845	81%	0.805	S	S	*	*			trans	-113.9	102	159.4	-92.4	-11.4	0	0	0	108.6	C675 I679	C675-N677 PolarHBondContact O-N 2.9Å; N677-I679 PolarHBondContact O-N 2.97Å
678	N	25	Very low	26.7	Very low	156 Å²	156	153.7 Å²	153.7	83%	0.834	80%	0.804	S	S	*	*			trans	-60.1	115.7	163.4	-70.7	-50.1	0	0	0	109.2
679	I	27.2	Very low	26.7	Very low	167 Å²	167	152.7 Å²	152.7	86%	0.856	80%	0.803	S	S	*	*			trans	-125.8	118.3	151.4	-64.9	-178.3	0	0	0	107.7	N677	N677-I679 PolarHBondContact O-N 2.97Å
680	S	28.5	Very low	26.8	Very low	112 Å²	112	148.1 Å²	148.1	78%	0.783	80%	0.799	S	S	*	*			trans	-37.2	137.7	-173.1	-59.5	0	0	0	0	118.2
681	E	25.7	Very low	26.6	Very low	182 Å²	182	145.7 Å²	145.7	85%	0.85	80%	0.796	S	S	*	*			trans	-30.2	126.5	145.5	-62.8	169.6	152.1	0	0	113.1
682	N	26.5	Very low	26.7	Very low	169 Å²	169	144 Å²	144	90%	0.904	80%	0.8	S	S	*	*			trans	-124.5	80.7	150.6	-158.1	12.7	0	0	0	107.5
683	S	26.3	Very low	26.7	Very low	75 Å²	75	144.4 Å²	144.4	52%	0.524	80%	0.799	S	S	.	*			trans	-77	147.2	170.9	57.8	0	0	0	0	110.9
684	N	26.6	Very low	26.4	Very low	144 Å²	144	140 Å²	140	77%	0.77	79%	0.792	S	S	*	*			trans	78.6	94.6	154	-56.1	-25.9	0	0	0	118.1
685	K	29.7	Very low	26.5	Very low	210 Å²	210	137.8 Å²	137.8	91%	0.913	79%	0.79	S	S	*	*				-144.2	80.2	127.7	-74	-162.7	179.2	172.3	0	110.3	A687	K685-A687 PolarHBondContact O-N 2.73Å
686	S	26.3	Very low	26.7	Very low	121 Å²	121	138.2 Å²	138.2	85%	0.846	79%	0.794	S	S	*	*			trans	-74.5	100.1	156.8	-170.6	0	0	0	0	107	Q688	S686-Q688 PolarHBondContact O-N 3.13Å
687	A	29.2	Very low	26.7	Very low	82 Å²	82	143.5 Å²	143.5	68%	0.678	81%	0.806	S	S	*	*			trans	-93.2	87.6	174.3	0	0	0	0	0	108.5	K685 L689	K685-A687 PolarHBondContact O-N 2.73Å; A687-L689 PolarHBondContact O-N 2.62Å; A687-L689 VanDerWaalsContact O-N 3.1Å
688	Q	25.4	Very low	26.7	Very low	185 Å²	185	141.9 Å²	141.9	86%	0.864	81%	0.807	S	S	*	*			trans	-69.9	94.6	163.9	-175.3	172.1	2.1	0	0	107.7	S686	S686-Q688 PolarHBondContact O-N 3.13Å
689	L	26.4	Very low	26.6	Very low	158 Å²	158	140 Å²	140	83%	0.827	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-95.9	123.2	177.4	-118.5	143.7	0	0	0	109.9	A687	A687-L689 PolarHBondContact O-N 2.62Å; A687-L689 VanDerWaalsContact O-N 3.1Å
690	T	27.9	Very low	26.5	Very low	119 Å²	119	139 Å²	139	73%	0.73	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-65.5	142.5	-168.5	49.8	0	0	0	0	113.8
691	S	23.9	Very low	26.6	Very low	106 Å²	106	140.7 Å²	140.7	74%	0.741	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-53	137.5	163.9	52.4	0	0	0	0	112.3
692	P	29.9	Very low	26.6	Very low	129 Å²	129	140.6 Å²	140.6	84%	0.838	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-73.5	132.7	174	26.1	-25.7	0	0	0	111.3
693	K	26.1	Very low	26.8	Very low	197 Å²	197	139.9 Å²	139.9	86%	0.857	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-75.5	134.5	170.6	-93.4	176.8	174.1	175	0	110.8
694	S	22.7	Very low	27	Very low	102 Å²	102	146 Å²	146	71%	0.713	81%	0.809	S	S	*	*			trans	32.1	120.5	141.2	64.7	0	0	0	0	119.6
695	S	25.1	Very low	27.1	Very low	113 Å²	113	148.3 Å²	148.3	79%	0.79	82%	0.815	S	S	*	*				161	114.1	110	60.5	0	0	0	0	111.8
696	S	30.4	Very low	27.1	Very low	125 Å²	125	143.6 Å²	143.6	87%	0.874	81%	0.808	S	S	*	*			trans	179	122.3	132.8	40.7	0	0	0	0	110.7
697	K	23.7	Very low	27.3	Very low	204 Å²	204	143.6 Å²	143.6	89%	0.887	80%	0.799	S	S	*	*			trans	-65.8	133.4	169	-82.9	168.7	165.8	173.3	0	109.7
698	S	27.5	Very low	27.4	Very low	124 Å²	124	144.9 Å²	144.9	87%	0.867	80%	0.801	S	S	*	*			trans	-138.4	114.7	142.5	63.1	0	0	0	0	108.9
699	T	23.3	Very low	27.7	Very low	116 Å²	116	146 Å²	146	71%	0.712	80%	0.797	S	S	*	*			trans	-78.1	161.8	175.1	-46.6	0	0	0	0	110.1
700	I	25.3	Very low	27.9	Very low	145 Å²	145	145.9 Å²	145.9	74%	0.744	80%	0.797	S	S	*	*			trans	88.9	119	161.6	-49.9	174.5	0	0	0	112.1
701	N	30.4	Very low	28	Very low	148 Å²	148	148 Å²	148	79%	0.791	80%	0.803	S	S	*	*			cis	-150	148.8	39.6	-114.3	-24.7	0	0	0	111.7
702	H	25.9	Very low	28.2	Very low	180 Å²	180	151.4 Å²	151.4	83%	0.833	81%	0.809	S	S	*	*			trans	-80.4	112.9	172.4	-85	-81.8	0	0	0	110.7
703	D	30.9	Very low	28.1	Very low	154 Å²	154	151 Å²	151	82%	0.824	80%	0.801	S	S	*	*			trans	-111.5	119.1	156.7	-75.3	-39.1	0	0	0	108.7	E705	D703-E705 PolarHBondContact O-N 3.1Å; D703-E705 VanDerWaalsContact O-N 3.16Å
704	K	30.2	Very low	28.5	Very low	204 Å²	204	149.5 Å²	149.5	89%	0.887	80%	0.802	S	S	*	*			trans	-74.1	96.1	-175.5	-70.3	173.9	175.9	177.3	0	109.5	S706	K704-S706 PolarHBondContact O-N 2.92Å
705	E	28	Very low	28.8	Very low	192 Å²	192	152 Å²	152	90%	0.897	81%	0.807	S	S	*	*			trans	-80.9	106.8	160.4	-78.6	-176.7	160.4	0	0	108.9	D703 N707	D703-E705 PolarHBondContact O-N 3.1Å; D703-E705 VanDerWaalsContact O-N 3.16Å; E705-N707 PolarHBondContact O-N 3.12Å
706	S	30.7	Very low	29.2	Very low	111 Å²	111	151 Å²	151	78%	0.776	81%	0.805	S	S	*	*			trans	-65.1	120.3	172.5	50.6	0	0	0	0	110	K704	K704-S706 PolarHBondContact O-N 2.92Å
707	N	31.3	Very low	29.3	Very low	121 Å²	121	149.4 Å²	149.4	65%	0.647	80%	0.8	S	S	*	*			trans	-69.3	129.9	176.8	-132.7	-6.1	0	0	0	109.1	E705 W709	E705-N707 PolarHBondContact O-N 3.12Å; N707-W709 PolarHBondContact O-N 2.66Å; N707-W709 VanDerWaalsContact O-N 3.1Å
708	P	30.3	Very low	29.7	Very low	110 Å²	110	146.9 Å²	146.9	71%	0.714	80%	0.796	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	13	-167	9.7	6.5	0	0	0	114.1
709	W	31.3	Very low	30	Very low	208 Å²	208	148.5 Å²	148.5	79%	0.788	80%	0.796	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-5.7	-176	-63.4	94.5	0	0	0	113.7	N707 L711	N707-W709 PolarHBondContact O-N 2.66Å; N707-W709 VanDerWaalsContact O-N 3.1Å; W709-L711 VanDerWaalsContact C-N 3.32Å; W709-L711 PolarHBondContact O-N 3.09Å
710	D	31	Very low	30.4	Very low	155 Å²	155	150.1 Å²	150.1	83%	0.829	80%	0.8	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	17.8	-174	-76.5	-21.9	0	0	0	115.2
711	L	29.3	Very low	30.6	Very low	165 Å²	165	145.9 Å²	145.9	86%	0.864	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	7.3	176.8	-118.8	157.1	0	0	0	114.6	W709	W709-L711 VanDerWaalsContact C-N 3.32Å; W709-L711 PolarHBondContact O-N 3.09Å
712	M	29.7	Very low	30.7	Very low	176 Å²	176	146.6 Å²	146.6	87%	0.867	80%	0.796	S	S	*	*			trans	-106.7	75.8	172.9	-94.3	177.9	154.8	0	0	110.5
713	N	28.1	Very low	31.2	Very low	122 Å²	122	144.3 Å²	144.3	65%	0.652	79%	0.79	S	S	*	*			trans	-152.9	74.6	160.4	-153.8	12.2	0	0	0	111.4
714	N	32.8	Very low	31	Very low	164 Å²	164	144 Å²	144	88%	0.877	79%	0.788	S	S	*	*			trans	-123.6	90.9	158.7	-82.4	-25.8	0	0	0	107.5	A716	N714-A716 PolarHBondContact O-N 3.2Å; N714-A716 VanDerWaalsContact O-N 3.11Å
715	N	30.2	Very low	31.3	Very low	154 Å²	154	143.1 Å²	143.1	82%	0.824	78%	0.779	S	S	*	*			trans	-59.9	104	161.3	-68.2	-35.7	0	0	0	107.9
716	A	33	Very low	31.3	Very low	92 Å²	92	141.4 Å²	141.4	76%	0.76	78%	0.776	S	S	*	*			trans	-119.1	97.3	167.3	0	0	0	0	0	107.9	N714	N714-A716 PolarHBondContact O-N 3.2Å; N714-A716 VanDerWaalsContact O-N 3.11Å
717	A	33.2	Very low	31.3	Very low	93 Å²	93	142.6 Å²	142.6	77%	0.769	77%	0.773	S	S	*	*			trans	15.9	122.4	156	0	0	0	0	0	118.8
718	D	31	Very low	31.2	Very low	150 Å²	150	144.1 Å²	144.1	80%	0.802	78%	0.781	S	S	*	*			trans	-44.1	129.9	155.1	-48.2	-62	0	0	0	111.6
719	D	33.6	Very low	31.1	Very low	159 Å²	159	146.9 Å²	146.9	85%	0.85	79%	0.787	S	S	*	*			trans	-125.4	86.2	163	-166.4	28	0	0	0	106.7	G721	D719-G721 VanDerWaalsContact C-N 3.34Å; D719-G721 PolarHBondContact O-N 2.99Å
720	D	31.7	Very low	31.1	Very low	149 Å²	149	143.7 Å²	143.7	80%	0.797	79%	0.785	S	S	*	*			trans	-69.1	89.3	172.2	-68.4	-47.7	0	0	0	108.9
721	G	31	Very low	31.1	Very low	56 Å²	56	144.8 Å²	144.8	58%	0.577	79%	0.791	S	S	*	*			trans	-105.7	87.6	170.3	0	0	0	0	0	110.9	D719 D723	D719-G721 VanDerWaalsContact C-N 3.34Å; D719-G721 PolarHBondContact O-N 2.99Å; G721-D723 PolarHBondContact O-N 2.87Å
722	D	31.3	Very low	31.2	Very low	164 Å²	164	142.6 Å²	142.6	88%	0.877	78%	0.784	S	S	*	*			trans	-67.8	90.8	167.4	-74.9	-38.6	0	0	0	110
723	D	37	Very low	31.2	Very low	132 Å²	132	143.1 Å²	143.1	71%	0.706	78%	0.782	S	S	*	*			trans	-105.3	79.7	174	-86.8	-33.4	0	0	0	110.4	G721 W725	G721-D723 PolarHBondContact O-N 2.87Å; D723-W725 PolarHBondContact O-N 3.19Å
724	D	26.8	Very low	31.3	Very low	148 Å²	148	145.7 Å²	145.7	79%	0.791	79%	0.79	S	S	*	*			trans	-67.7	98.9	165.6	-179.8	23.9	0	0	0	110
725	W	36.2	Very low	31.1	Very low	185 Å²	185	144.3 Å²	144.3	70%	0.701	78%	0.783	S	S	*	*			trans	-126.2	84.1	171.6	-67.3	90.4	0	0	0	110.5	D723 L727	D723-W725 PolarHBondContact O-N 3.19Å; W725-L727 HydrophobicContact CB-CG 4.37Å; W725-L727 HydrophobicContact CE3-CD1 4.43Å; W725-L727 HydrophobicContact CE3-CD2 4.22Å; W725-L727 HydrophobicContact CE3-CG 4.14Å; W725-L727 PolarHBondContact O-N 2.8Å
726	N	27.9	Very low	31.2	Very low	155 Å²	155	144.8 Å²	144.8	83%	0.829	78%	0.784	S	S	*	*			trans	-69.3	76.3	154.4	-160.5	25.5	0	0	0	108.4	D728	N726-D728 PolarHBondContact O-N 3.45Å
727	L	30.6	Very low	30.8	Very low	137 Å²	137	147 Å²	147	72%	0.717	78%	0.783	S	S	*	*			trans	-82.9	115.8	173.8	-83.8	173.8	0	0	0	110	W725	W725-L727 HydrophobicContact CB-CG 4.37Å; W725-L727 HydrophobicContact CE3-CD1 4.43Å; W725-L727 HydrophobicContact CE3-CD2 4.22Å; W725-L727 HydrophobicContact CE3-CG 4.14Å; W725-L727 PolarHBondContact O-N 2.8Å
728	D	30.3	Very low	30.7	Very low	153 Å²	153	149 Å²	149	82%	0.818	78%	0.781	S	S	*	*			trans	-49.7	127.3	-177	-145.8	-11.1	0	0	0	112	N726 N730	N726-D728 PolarHBondContact O-N 3.45Å; D728-N730 PolarHBondContact O-N 3.16Å
729	M	28.3	Very low	30.6	Very low	168 Å²	168	150.2 Å²	150.2	83%	0.828	79%	0.787	S	S	*	*	S	Bend	trans	-66.2	96.3	167.8	-101.5	-101.4	-76.2	0	0	107.4
730	N	31.1	Very low	30.2	Very low	141 Å²	141	151.9 Å²	151.9	75%	0.754	79%	0.786	S	S	*	*			trans	175.1	71.3	151.2	-85.4	-22.6	0	0	0	109.8	D728	D728-N730 PolarHBondContact O-N 3.16Å
731	D	30.1	Very low	30.1	Very low	177 Å²	177	150.3 Å²	150.3	95%	0.947	79%	0.787	S	S	*	*			trans	-110.4	118.9	153.4	-95.5	-26.1	0	0	0	109.4
732	V	30.5	Very low	29.8	Very low	120 Å²	120	153.6 Å²	153.6	73%	0.727	80%	0.796	S	S	*	*			trans	-76.4	145.7	-161.7	168	0	0	0	0	110	E734	V732-E734 PolarHBondContact O-N 2.7Å
733	F	29.7	Very low	29.6	Very low	186 Å²	186	154.4 Å²	154.4	82%	0.816	80%	0.8	S	S	*	*			trans	-45.7	104.5	161.5	-98.2	-107.8	0	0	0	110.5
734	E	31.2	Very low	29	Very low	177 Å²	177	154.3 Å²	154.3	83%	0.827	80%	0.799	S	S	*	*			trans	-91.3	101.1	157.7	-84.4	-171.3	162.5	0	0	108.2	V732 I736	V732-E734 PolarHBondContact O-N 2.7Å; E734-I736 PolarHBondContact O-N 2.9Å; E734-I736 VanDerWaalsContact O-N 3.09Å
735	D	29.3	Very low	29	Very low	134 Å²	134	154.3 Å²	154.3	72%	0.717	79%	0.794	S	S	*	*			trans	-58.8	102.7	165.7	-72.7	-39.5	0	0	0	109.2	D737	D735-D737 VanDerWaalsContact C-N 3.31Å; D735-D737 PolarHBondContact O-N 2.93Å; D735-D737 VanDerWaalsContact O-N 3.14Å
736	I	30.7	Very low	28.6	Very low	165 Å²	165	152.1 Å²	152.1	85%	0.846	80%	0.796	S	S	*	*			trans	-82.1	85.7	167.4	-63.8	172.3	0	0	0	107	E734	E734-I736 PolarHBondContact O-N 2.9Å; E734-I736 VanDerWaalsContact O-N 3.09Å
737	D	26.2	Very low	28.5	Very low	138 Å²	138	149.2 Å²	149.2	74%	0.738	79%	0.788	S	S	*	*			trans	-91.8	151.3	161.2	-95.6	-29.7	0	0	0	110.4	D735	D735-D737 VanDerWaalsContact C-N 3.31Å; D735-D737 PolarHBondContact O-N 2.93Å; D735-D737 VanDerWaalsContact O-N 3.14Å
738	D	29.9	Very low	28.1	Very low	136 Å²	136	150.3 Å²	150.3	73%	0.727	79%	0.789	S	S	*	*			trans	75.1	95.7	167	-63.1	-34.8	0	0	0	119.1
739	N	30	Very low	27.9	Very low	174 Å²	174	150.8 Å²	150.8	93%	0.93	79%	0.792	S	S	*	*			trans	-141.2	96.7	130.9	-102.3	-35.2	0	0	0	111.9	S741	N739-S741 PolarHBondContact O-N 3.49Å
740	K	24.9	Very low	27.8	Very low	194 Å²	194	151.1 Å²	151.1	84%	0.843	79%	0.789	S	S	*	*			trans	-89	88.1	178.1	-159.2	179.5	-163.3	171.2	0	108.2
741	S	29.1	Very low	27.6	Very low	116 Å²	116	151 Å²	151	81%	0.811	79%	0.788	S	S	*	*			trans	-96	106.7	169.9	65.5	0	0	0	0	110.6	N739	N739-S741 PolarHBondContact O-N 3.49Å
742	T	25.2	Very low	27.5	Very low	126 Å²	126	149.9 Å²	149.9	77%	0.773	78%	0.781	S	S	*	*			trans	-56.4	125.8	166.7	48.3	0	0	0	0	111.7
743	L	27.7	Very low	27	Very low	181 Å²	181	152.3 Å²	152.3	95%	0.948	79%	0.789	S	S	*	*			trans	-127.3	126.5	148.3	-140	92.9	0	0	0	109.7
744	N	23.6	Very low	26.9	Very low	130 Å²	130	149.3 Å²	149.3	70%	0.695	79%	0.792	S	S	*	*			trans	-102.7	166.4	-169.7	-162.7	13.4	0	0	0	108.7
745	H	26.8	Very low	26.6	Very low	147 Å²	147	149.5 Å²	149.5	68%	0.681	79%	0.792	S	S	*	*			trans	99.2	127.6	158.6	-81	-72.5	0	0	0	121.7
746	N	26.7	Very low	26.3	Very low	139 Å²	139	148 Å²	148	74%	0.743	79%	0.792	S	S	*	*			trans	82.2	138.4	150.5	-65	-5.3	0	0	0	117.3
747	S	26.1	Very low	26.1	Very low	94 Å²	94	146.4 Å²	146.4	66%	0.657	79%	0.79	S	S	*	*			cis	-174.5	133.3	-23.6	40.4	0	0	0	0	104.4
748	E	23.7	Very low	26	Very low	160 Å²	160	144.3 Å²	144.3	75%	0.748	79%	0.793	S	S	*	*			trans	28	111.9	147.5	-60.9	-176.9	137	0	0	118.8
749	N	26.1	Very low	25.8	Very low	164 Å²	164	143.7 Å²	143.7	88%	0.877	79%	0.794	S	S	*	*				-138.9	104.9	129.3	-123.4	-12.4	0	0	0	109.9
750	K	24.5	Very low	25.6	Very low	174 Å²	174	141.6 Å²	141.6	76%	0.757	79%	0.787	S	S	*	*			trans	-77.3	122.5	168.7	-76.2	170.4	175.9	160.6	0	107.8
751	N	27.7	Very low	25.6	Very low	139 Å²	139	139.4 Å²	139.4	74%	0.743	78%	0.784	S	S	*	*			trans	-141.3	114.5	154.8	-101.3	-36.2	0	0	0	110.8
752	L	27	Very low	25.7	Very low	154 Å²	154	138.7 Å²	138.7	81%	0.806	78%	0.777	S	S	*	*			trans	52.8	107.6	139.8	-72.1	158.4	0	0	0	119.7
753	L	21.8	Very low	25.8	Very low	170 Å²	170	138.5 Å²	138.5	89%	0.89	78%	0.778	S	S	*	*			trans	-38.9	132.7	148.4	-64.2	124.5	0	0	0	113.4
754	S	27.7	Very low	25.7	Very low	124 Å²	124	138.2 Å²	138.2	87%	0.867	78%	0.776	S	S	*	*			trans	-150	134.7	134	56.1	0	0	0	0	110.2
755	E	23.2	Very low	25.9	Very low	180 Å²	180	138.2 Å²	138.2	84%	0.841	78%	0.781	S	S	*	*			trans	-99.8	159.7	-166.6	-168.4	172.4	-162.3	0	0	109.6
756	S	23.6	Very low	26	Very low	102 Å²	102	137.4 Å²	137.4	71%	0.713	79%	0.789	S	S	*	*			trans	74.7	110.4	157.7	76.1	0	0	0	0	118.7
757	T	26.4	Very low	26	Very low	132 Å²	132	135.9 Å²	135.9	81%	0.81	79%	0.789	S	S	*	*				-172.3	102.4	106	19.2	0	0	0	0	109	T759	T757-T759 PolarHBondContact O-N 2.95Å
758	A	25	Very low	26	Very low	95 Å²	95	136.6 Å²	136.6	79%	0.785	79%	0.794	S	S	*	*			trans	-76.7	105	167.5	0	0	0	0	0	108.1	T760	A758-T760 PolarHBondContact O-N 3.19Å; A758-T760 VanDerWaalsContact O-N 3.14Å
759	T	25.9	Very low	26	Very low	123 Å²	123	138.7 Å²	138.7	76%	0.755	80%	0.797	S	S	*	*			trans	-81.3	87.9	173.5	-44.2	0	0	0	0	108.5	T757 L761	T757-T759 PolarHBondContact O-N 2.95Å; T759-L761 PolarHBondContact O-N 3.09Å; T759-L761 VanDerWaalsContact O-N 3.13Å
760	T	25	Very low	26	Very low	129 Å²	129	142.1 Å²	142.1	79%	0.791	80%	0.798	S	S	*	*			trans	-74.6	95.8	172.6	-43.4	0	0	0	0	108.6	A758	A758-T760 PolarHBondContact O-N 3.19Å; A758-T760 VanDerWaalsContact O-N 3.14Å
761	L	25	Very low	26	Very low	149 Å²	149	141.6 Å²	141.6	78%	0.78	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-72.6	128.1	168.5	-80.6	161.2	0	0	0	109.2	T759	T759-L761 PolarHBondContact O-N 3.09Å; T759-L761 VanDerWaalsContact O-N 3.13Å
762	P	30.6	Very low	25.8	Very low	100 Å²	100	140.6 Å²	140.6	65%	0.649	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-71.6	150.6	177.9	28.8	-32.1	0	0	0	111.1	L764	P762-L764 PolarHBondContact O-N 2.76Å
763	P	27.5	Very low	25.6	Very low	123 Å²	123	141.7 Å²	141.7	80%	0.799	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-67.7	121.3	-179.1	26.7	-31.3	0	0	0	110.2	T765	P763-T765 PolarHBondContact O-N 2.92Å
764	L	26.2	Very low	25.7	Very low	175 Å²	175	138.6 Å²	138.6	92%	0.916	80%	0.797	S	S	*	*			trans	-63.6	113.6	172.8	-73.6	160.4	0	0	0	109.1	P762	P762-L764 PolarHBondContact O-N 2.76Å
765	T	27.6	Very low	25.5	Very low	129 Å²	129	141.7 Å²	141.7	79%	0.791	80%	0.797	S	S	*	*			trans	-70.3	127.4	168.1	43.9	0	0	0	0	108.9	P763 S767	P763-T765 PolarHBondContact O-N 2.92Å; T765-S767 PolarHBondContact O-N 2.95Å; T765-S767 VanDerWaalsContact O-N 3.11Å
766	P	27.9	Very low	25.6	Very low	130 Å²	130	143.9 Å²	143.9	84%	0.844	80%	0.799	S	S	*	*			trans	-68.7	113.7	178.2	25.6	-29.1	0	0	0	109.1
767	S	26.6	Very low	25.7	Very low	107 Å²	107	145.9 Å²	145.9	75%	0.748	80%	0.802	S	S	*	*			trans	-56.3	133	172.2	-179.8	0	0	0	0	110.9	T765 Y769	T765-S767 PolarHBondContact O-N 2.95Å; T765-S767 VanDerWaalsContact O-N 3.11Å; S767-Y769 PolarHBondContact O-N 2.78Å; S767-Y769 VanDerWaalsContact O-N 3.17Å
768	S	26.2	Very low	25.7	Very low	110 Å²	110	148.6 Å²	148.6	77%	0.769	81%	0.806	S	S	*	*			trans	-57.2	104	172.4	52.5	0	0	0	0	111.5
769	Y	25.2	Very low	25.7	Very low	204 Å²	204	151.2 Å²	151.2	80%	0.8	80%	0.802	S	S	*	*			trans	-131.3	13.4	174.1	-163.4	-103.8	0	0	0	114	S767	S767-Y769 PolarHBondContact O-N 2.78Å; S767-Y769 VanDerWaalsContact O-N 3.17Å
770	W	24.8	Very low	25.7	Very low	236 Å²	236	151.7 Å²	151.7	89%	0.894	81%	0.805	S	S	*	*			trans	-108	9.9	179.7	-69.5	111.3	0	0	0	115.7	C772	W770-C772 VanDerWaalsContact C-N 3.32Å; W770-C772 PolarHBondContact O-N 2.84Å; W770-C772 VanDerWaalsContact O-N 3.12Å
771	D	26	Very low	25.7	Very low	162 Å²	162	153.2 Å²	153.2	87%	0.866	80%	0.8	S	S	*	*			trans	-87	69.3	170.8	-86.3	-24.2	0	0	0	111.3
772	C	21.9	Very low	25.8	Very low	118 Å²	118	154 Å²	154	80%	0.797	81%	0.805	S	S	*	*			trans	-155	70.4	165.2	-94.2	0	0	0	0	109	W770	W770-C772 VanDerWaalsContact C-N 3.32Å; W770-C772 PolarHBondContact O-N 2.84Å; W770-C772 VanDerWaalsContact O-N 3.12Å
773	Q	24.2	Very low	25.6	Very low	177 Å²	177	157.8 Å²	157.8	83%	0.827	81%	0.812	S	S	*	*			trans	-105.5	129.2	159.9	-81.1	-69.4	-61.1	0	0	108.7
774	P	23.3	Very low	25.5	Very low	106 Å²	106	159 Å²	159	69%	0.688	81%	0.811	S	S	*	*			trans	-68.2	139.1	-172.3	-11.5	26.7	0	0	0	111.2	Y776	P774-Y776 PolarHBondContact O-N 2.96Å
775	Q	23.8	Very low	25.5	Very low	188 Å²	188	158.4 Å²	158.4	88%	0.879	81%	0.809	S	S	*	*			trans	-51.2	108.6	168.8	-71.3	170.7	-63.7	0	0	109.8
776	Y	24.6	Very low	25.5	Very low	226 Å²	226	156.2 Å²	156.2	89%	0.886	79%	0.792	S	S	*	*			trans	-92.2	113.9	161.6	-131.9	-93.3	0	0	0	106.6	P774 Q778	P774-Y776 PolarHBondContact O-N 2.96Å; Y776-Q778 PolarHBondContact O-N 2.86Å
777	D	26.3	Very low	25.6	Very low	144 Å²	144	156 Å²	156	77%	0.77	78%	0.783	S	S	*	*			trans	-53.9	120.7	179.6	-70.5	-51.1	0	0	0	110.5	E779	D777-E779 VanDerWaalsContact C-N 3.32Å; D777-E779 PolarHBondContact O-N 3.24Å
778	Q	26	Very low	26	Very low	189 Å²	189	157.9 Å²	157.9	88%	0.883	77%	0.774	S	S	*	*			trans	-68.1	89.7	171.9	-81.9	174.5	-10.8	0	0	109.1	Y776 T780	Y776-Q778 PolarHBondContact O-N 2.86Å; Q778-T780 PolarHBondContact O-N 3.29Å; Q778-T780 VanDerWaalsContact O-N 3.15Å
779	E	25.5	Very low	26.3	Very low	150 Å²	150	158.3 Å²	158.3	70%	0.701	77%	0.768	S	S	*	*			trans	-64.9	110.2	159	-92.2	-167.9	175.4	0	0	108.9	D777 K781	D777-E779 VanDerWaalsContact C-N 3.32Å; D777-E779 PolarHBondContact O-N 3.24Å; E779-K781 VanDerWaalsContact C-N 3.27Å; E779-K781 PolarHBondContact O-N 3.14Å; E779-K781 IonicContact OE2-NZ 3.95Å; E779-K781 PolarHBondContact OE2-NZ 3.34Å
780	T	25	Very low	26.4	Very low	134 Å²	134	151.8 Å²	151.8	82%	0.822	75%	0.752	S	S	*	*			trans	-63.7	77.3	173.8	39.8	0	0	0	0	111.6	Q778	Q778-T780 PolarHBondContact O-N 3.29Å; Q778-T780 VanDerWaalsContact O-N 3.15Å
781	K	26.4	Very low	26.6	Very low	160 Å²	160	146.3 Å²	146.3	70%	0.696	74%	0.74	S	S	*	*			trans	-95.9	97.2	164.8	-82.3	174.7	179.7	123.8	0	109.2	E779 K783	E779-K781 VanDerWaalsContact C-N 3.27Å; E779-K781 PolarHBondContact O-N 3.14Å; E779-K781 IonicContact OE2-NZ 3.95Å; E779-K781 PolarHBondContact OE2-NZ 3.34Å; K781-K783 PolarHBondContact O-N 3.28Å
782	N	25.4	Very low	26.7	Very low	166 Å²	166	147.3 Å²	147.3	89%	0.888	74%	0.739	S	S	*	*			trans	-60.1	72.7	167.9	-76.6	-31.7	0	0	0	111.2
783	K	27.1	Very low	27	Very low	180 Å²	180	148.4 Å²	148.4	78%	0.783	73%	0.731	S	S	*	*			trans	-108	107.1	168	-158.5	177.1	-178	-172.3	0	106.2	K781 D785	K781-K783 PolarHBondContact O-N 3.28Å; K783-D785 PolarHBondContact O-N 3.36Å
784	L	26.6	Very low	27.1	Very low	149 Å²	149	144.4 Å²	144.4	78%	0.78	71%	0.711	S	S	*	*			trans	-55.1	105.5	171.9	-103.3	81.2	0	0	0	108	L786	L784-L786 PolarHBondContact O-N 2.54Å; L784-L786 VanDerWaalsContact O-N 3.08Å
785	D	25.5	Very low	27.3	Very low	162 Å²	162	146 Å²	146	87%	0.866	71%	0.713	S	S	*	*			trans	-76.4	90.8	173.6	-122	-5.2	0	0	0	107.5	K783 D787	K783-D785 PolarHBondContact O-N 3.36Å; D785-D787 PolarHBondContact O-N 3.32Å
786	L	28.2	Very low	27.2	Very low	83 Å²	83	140.6 Å²	140.6	44%	0.435	70%	0.697	S	S	.	*			trans	-80.9	110.1	168.6	-79.4	151	0	0	0	106.6	L784 W788	L784-L786 PolarHBondContact O-N 2.54Å; L784-L786 VanDerWaalsContact O-N 3.08Å; L786-W788 HydrophobicContact CB-CZ2 3.88Å; L786-W788 HydrophobicContact CD1-CZ2 3.98Å; L786-W788 HydrophobicContact CG-CZ2 4.48Å; L786-W788 PolarHBondContact O-N 3.14Å; L786-W788 PolarHBondContact O-NE1 3.07Å; L786-W788 VanDerWaalsContact O-NE1 3.12Å
787	D	30	Very low	27.2	Very low	124 Å²	124	136 Å²	136	66%	0.663	69%	0.687	S	S	*	*			trans	-75.7	93.9	-179.5	-170.6	6.3	0	0	0	110.3	D785 N789	D785-D787 PolarHBondContact O-N 3.32Å; D787-N789 VanDerWaalsContact C-N 3.27Å; D787-N789 PolarHBondContact O-N 2.94Å
788	W	34.2	Very low	27.1	Very low	148 Å²	148	134.9 Å²	134.9	56%	0.561	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-6.5	-171.3	-63.8	99.2	0	0	0	114.6	L786	L786-W788 HydrophobicContact CB-CZ2 3.88Å; L786-W788 HydrophobicContact CD1-CZ2 3.98Å; L786-W788 HydrophobicContact CG-CZ2 4.48Å; L786-W788 PolarHBondContact O-N 3.14Å; L786-W788 PolarHBondContact O-NE1 3.07Å; L786-W788 VanDerWaalsContact O-NE1 3.12Å
789	N	33.2	Very low	27	Very low	119 Å²	119	132.9 Å²	132.9	64%	0.636	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.8	1.2	-164.8	-73.4	-19.9	0	0	0	115.2	D787 N791	D787-N789 VanDerWaalsContact C-N 3.27Å; D787-N789 PolarHBondContact O-N 2.94Å; N789-N791 PolarHBondContact O-N 2.55Å
790	S	26.4	Very low	27	Very low	67 Å²	67	133 Å²	133	47%	0.469	69%	0.685	S	S	.	*			trans	-73.4	104.1	-176.5	50.2	0	0	0	0	111.9
791	N	28.2	Very low	26.9	Very low	120 Å²	120	135.9 Å²	135.9	64%	0.642	69%	0.69	S	S	*	*			trans	-78.3	-8.5	167.8	-74.2	-31.6	0	0	0	112.7	N789 F793 F794	N789-N791 PolarHBondContact O-N 2.55Å; N791-F793 PolarHBondContact O-N 3.1Å; N791-F793 VanDerWaalsContact O-N 3.09Å; N791-F794 HydrophobicContact CB-CD2 4.03Å; N791-F794 HydrophobicContact CB-CE2 4.4Å; N791-F794 VanDerWaalsContact O-CD2 3.25Å; N791-F794 WeakPolarHBondContact O-CD2 3.32Å; N791-F794 PolarHBondContact O-N 3.47Å; N791-F794 VanDerWaalsContact O-N 3.13Å; N791-F794 WeakPolarHBondContact OD1-CE2 3.39Å
792	E	28.4	Very low	26.8	Very low	183 Å²	183	135.2 Å²	135.2	86%	0.855	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-8.1	-170.8	-65.3	-172.1	165.2	0	0	114.8
793	F	29.4	Very low	26.8	Very low	142 Å²	142	132.9 Å²	132.9	62%	0.623	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-22.2	173.5	-171.1	-107.2	0	0	0	113.4	N791 D795 S796 L797	N791-F793 PolarHBondContact O-N 3.1Å; N791-F793 VanDerWaalsContact O-N 3.09Å; F793-D795 VanDerWaalsContact C-N 3.29Å; F793-D795 PolarHBondContact O-N 3.07Å; F793-S796 PolarHBondContact O-N 3.42Å; F793-S796 PolarHBondContact O-OG 3.32Å; F793-L797 HydrophobicContact CE1-CD1 4.48Å; F793-L797 HydrophobicContact CZ-CD1 4.23Å
794	F	26.4	Very low	26.7	Very low	92 Å²	92	132 Å²	132	40%	0.404	69%	0.69	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.9	-23.7	-169.9	-68.5	-65.5	0	0	0	114.4	S623 N791	S623-F794 WeakPolarHBondContact OG-CE1 3.27Å; S623-F794 WeakPolarHBondContact OG-CZ 3.2Å; N791-F794 HydrophobicContact CB-CD2 4.03Å; N791-F794 HydrophobicContact CB-CE2 4.4Å; N791-F794 VanDerWaalsContact O-CD2 3.25Å; N791-F794 WeakPolarHBondContact O-CD2 3.32Å; N791-F794 PolarHBondContact O-N 3.47Å; N791-F794 VanDerWaalsContact O-N 3.13Å; N791-F794 WeakPolarHBondContact OD1-CE2 3.39Å
795	D	25.6	Very low	26.5	Very low	139 Å²	139	134 Å²	134	74%	0.743	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-13.9	-176.2	-71.9	-22.1	0	0	0	113.9	F793 L797	F793-D795 VanDerWaalsContact C-N 3.29Å; F793-D795 PolarHBondContact O-N 3.07Å; D795-L797 PolarHBondContact O-N 3.48Å
796	S	22.9	Very low	26.3	Very low	75 Å²	75	135.6 Å²	135.6	52%	0.524	69%	0.694	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.1	-1.9	-165.8	69.2	0	0	0	0	116.6	F793	F793-S796 PolarHBondContact O-N 3.42Å; F793-S796 PolarHBondContact O-OG 3.32Å
797	L	23.9	Very low	26	Very low	130 Å²	130	142.8 Å²	142.8	68%	0.681	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.9	24.8	-173	-68.8	173.3	0	0	0	115.2	F793 D795 L799	F793-L797 HydrophobicContact CE1-CD1 4.48Å; F793-L797 HydrophobicContact CZ-CD1 4.23Å; D795-L797 PolarHBondContact O-N 3.48Å; L797-L799 PolarHBondContact O-N 2.96Å; L797-L799 VanDerWaalsContact O-N 3.1Å
798	T	24.7	Very low	25.5	Very low	120 Å²	120	142.8 Å²	142.8	74%	0.736	72%	0.72	S	S	*	*	S	Bend	trans	-69	3	171	49.1	0	0	0	0	114.6
799	L	23.6	Very low	25	Very low	147 Å²	147	142.7 Å²	142.7	77%	0.77	73%	0.731	S	S	*	*			trans	-137.7	94.9	-178.4	-64.8	174.1	0	0	0	111.8	L797	L797-L799 PolarHBondContact O-N 2.96Å; L797-L799 VanDerWaalsContact O-N 3.1Å
800	N	24.8	Very low	24.4	Very low	152 Å²	152	143.6 Å²	143.6	81%	0.813	74%	0.741	S	S	*	*			trans	178.5	88.5	137.3	-100.2	-25.4	0	0	0	110.8
801	E	23.1	Very low	24.3	Very low	196 Å²	196	150.1 Å²	150.1	92%	0.916	76%	0.761	S	S	*	*			trans	-100.2	104.5	144.3	-74.2	-167.4	168	0	0	106.9
802	N	24.7	Very low	24.1	Very low	145 Å²	145	154 Å²	154	78%	0.775	77%	0.772	S	S	*	*			trans	-140.3	135.3	154.2	-100.2	-39.8	0	0	0	109.1
803	P	26	Very low	23.8	Very low	118 Å²	118	150.4 Å²	150.4	77%	0.766	77%	0.767	S	S	*	*			trans	-81.9	132.9	-163.7	4.5	12.7	0	0	0	112	E805	P803-E805 PolarHBondContact O-N 3.23Å
804	I	23.8	Very low	23.5	Very low	161 Å²	161	150 Å²	150	83%	0.826	78%	0.776	S	S	*	*			trans	-25.4	104.1	164.8	-58.3	162.4	0	0	0	113.7
805	E	23.3	Very low	23.3	Very low	190 Å²	190	151.7 Å²	151.7	89%	0.888	79%	0.794	S	S	*	*			trans	-78.2	118.3	158.4	-83.3	-166.1	159.7	0	0	110.4	P803 R807	P803-E805 PolarHBondContact O-N 3.23Å; E805-R807 PolarHBondContact O-N 3.46Å; E805-R807 VanDerWaalsContact O-N 3.17Å
806	K	21	Very low	23.2	Very low	197 Å²	197	154.8 Å²	154.8	86%	0.857	80%	0.801	S	S	*	*			trans	-63.1	106.9	173.5	-70.8	172.1	177.8	171.2	0	110.4
807	R	21.3	Very low	23.2	Very low	233 Å²	233	155.7 Å²	155.7	88%	0.879	81%	0.807	S	S	*	*			trans	-112.3	93.7	164	-138.1	172.1	-173.5	175.8	3.2	110.7	E805 N809	E805-R807 PolarHBondContact O-N 3.46Å; E805-R807 VanDerWaalsContact O-N 3.17Å; R807-N809 PolarHBondContact O-N 2.93Å
808	T	20.7	Very low	23.1	Very low	124 Å²	124	154.4 Å²	154.4	76%	0.761	81%	0.809	S	S	*	*			trans	-66.9	117	168.6	49.1	0	0	0	0	109.6
809	N	23.9	Very low	23.1	Very low	146 Å²	146	158.1 Å²	158.1	78%	0.781	82%	0.818	S	S	*	*			trans	-130	92	165.2	-100.9	-23.3	0	0	0	109.7	R807 K811	R807-N809 PolarHBondContact O-N 2.93Å; N809-K811 PolarHBondContact O-N 3.31Å
810	T	20.8	Very low	22.9	Very low	138 Å²	138	156.6 Å²	156.6	85%	0.847	82%	0.819	S	S	*	*			trans	-67.6	111.6	162.9	38.6	0	0	0	0	109.7
811	K	24.4	Very low	23	Very low	204 Å²	204	154.3 Å²	154.3	89%	0.887	82%	0.815	S	S	*	*			trans	-130.8	122.3	157	-88	-173.4	177.9	176.7	0	110.5	N809	N809-K811 PolarHBondContact O-N 3.31Å
812	K	23	Very low	23	Very low	202 Å²	202	152.2 Å²	152.2	88%	0.878	81%	0.811	S	S	*	*			trans	-59.3	137.3	-173.6	-77.4	172.2	170.6	175.7	0	112.7
813	S	21.7	Very low	23.1	Very low	107 Å²	107	152.1 Å²	152.1	75%	0.748	81%	0.809	S	S	*	*			trans	-57.4	131.4	159.2	55.1	0	0	0	0	111
814	T	24	Very low	23	Very low	133 Å²	133	153.9 Å²	153.9	82%	0.816	81%	0.81	S	S	*	*			trans	-121.5	103.3	159.7	-25	0	0	0	0	107.1
815	V	22.1	Very low	23.2	Very low	129 Å²	129	155.3 Å²	155.3	78%	0.782	81%	0.81	S	S	*	*			trans	-77.2	117.6	173	173.9	0	0	0	0	106.9
816	K	24.3	Very low	23.2	Very low	204 Å²	204	151.6 Å²	151.6	89%	0.887	81%	0.805	S	S	*	*			trans	-112.7	111	163	-92.1	-172.9	175.4	-178.5	0	108.4
817	S	21.4	Very low	23.5	Very low	94 Å²	94	150.1 Å²	150.1	66%	0.657	81%	0.806	S	S	*	*			trans	-75.9	151.1	174.3	52.7	0	0	0	0	111.7
818	S	21.6	Very low	23.7	Very low	103 Å²	103	144.4 Å²	144.4	72%	0.72	80%	0.799	S	S	*	*			trans	58.7	111	143	61.7	0	0	0	0	118.8
819	Q	25	Very low	23.7	Very low	197 Å²	197	143.9 Å²	143.9	92%	0.921	80%	0.801	S	S	*	*				-162.6	111.4	119	-106.9	170.8	9.5	0	0	110.3
820	S	21	Very low	23.9	Very low	115 Å²	115	143.7 Å²	143.7	80%	0.804	81%	0.805	S	S	*	*			trans	-73.3	129.3	165.6	49.5	0	0	0	0	110.1
821	S	25.8	Very low	24	Very low	104 Å²	104	143.9 Å²	143.9	73%	0.727	80%	0.8	S	S	*	*			trans	-143.3	114.9	157	48.2	0	0	0	0	110	I823	S821-I823 PolarHBondContact O-N 3.21Å
822	N	23.6	Very low	24	Very low	153 Å²	153	142.3 Å²	142.3	82%	0.818	80%	0.796	S	S	*	*			trans	-61.2	125	174	-66.9	-45.6	0	0	0	110.1
823	I	26.4	Very low	24.1	Very low	143 Å²	143	137.1 Å²	137.1	73%	0.733	79%	0.785	S	S	*	*			trans	-123.2	93.8	161.8	-61.4	179.3	0	0	0	107.3	S821 K825	S821-I823 PolarHBondContact O-N 3.21Å; I823-K825 HydrophobicContact CG2-CG 4.26Å; I823-K825 PolarHBondContact O-N 3Å
824	I	23.7	Very low	24.3	Very low	155 Å²	155	139.6 Å²	139.6	80%	0.795	79%	0.79	S	S	*	*			trans	-76.1	112.3	166.8	-64	169.2	0	0	0	106.3
825	K	28.1	Very low	24.1	Very low	190 Å²	190	143.3 Å²	143.3	83%	0.826	79%	0.79	S	S	*	*			trans	-110.7	104.2	164.6	-89.3	-175.7	176.5	179.7	0	108.6	I823	I823-K825 HydrophobicContact CG2-CG 4.26Å; I823-K825 PolarHBondContact O-N 3Å
826	S	23.3	Very low	24.4	Very low	112 Å²	112	145.5 Å²	145.5	78%	0.783	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-63.3	122.5	167.6	49.8	0	0	0	0	110.6
827	L	26.6	Very low	24.3	Very low	166 Å²	166	141 Å²	141	87%	0.869	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-97.8	134.1	170.4	-142.6	78	0	0	0	108.7
828	P	26.3	Very low	24.7	Very low	113 Å²	113	145.9 Å²	145.9	73%	0.734	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-82.8	136.9	-174.8	30.7	-29.8	0	0	0	112.1
829	S	21.6	Very low	24.7	Very low	114 Å²	114	149.8 Å²	149.8	80%	0.797	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-67.8	124.3	169.7	49.1	0	0	0	0	111.7
830	T	27	Very low	24.7	Very low	141 Å²	141	147.2 Å²	147.2	87%	0.865	79%	0.792	S	S	*	*			trans	-112.2	116	164.9	28.5	0	0	0	0	111
831	N	24.2	Very low	24.8	Very low	142 Å²	142	147 Å²	147	76%	0.759	79%	0.79	S	S	*	*			trans	-32.6	127.8	163.1	-78	-26	0	0	0	114.6
832	H	23.6	Very low	25.1	Very low	172 Å²	172	147.3 Å²	147.3	80%	0.796	79%	0.79	S	S	*	*				76.4	132.1	93.8	-93.5	-72.5	0	0	0	115.5
833	S	24.3	Very low	25	Very low	93 Å²	93	148.3 Å²	148.3	65%	0.65	79%	0.79	S	S	*	*			trans	63.6	116.3	151.1	59.9	0	0	0	0	117.6
834	D	27.5	Very low	25	Very low	159 Å²	159	150 Å²	150	85%	0.85	79%	0.794	S	S	*	*				-174.6	141.4	76.6	-98.8	-35.6	0	0	0	113.2
835	Y	19.8	Very low	25	Very low	210 Å²	210	148.8 Å²	148.8	82%	0.824	79%	0.794	S	S	*	*			trans	-61.2	134.4	165.8	-98.6	-110.7	0	0	0	111
836	Q	27.6	Very low	25	Very low	176 Å²	176	144.9 Å²	144.9	82%	0.822	79%	0.79	S	S	*	*			trans	-152.7	108.9	135	-80.8	-148.3	5.2	0	0	111.3
837	S	22.5	Very low	25.1	Very low	109 Å²	109	145.2 Å²	145.2	76%	0.762	79%	0.788	S	S	*	*			trans	-68.4	121.4	163.1	-51.5	0	0	0	0	109.6
838	K	28.5	Very low	24.9	Very low	197 Å²	197	147.8 Å²	147.8	86%	0.857	79%	0.786	S	S	*	*			trans	-120.5	123.1	163.6	-109.8	180	-177.5	175.8	0	111.5
839	K	23.3	Very low	25	Very low	185 Å²	185	149.3 Å²	149.3	80%	0.804	79%	0.793	S	S	*	*			trans	-65.5	146.5	179.9	-90	172.2	167.2	179.9	0	113.6
840	L	23.3	Very low	25.2	Very low	143 Å²	143	152.5 Å²	152.5	75%	0.749	80%	0.795	S	S	*	*				73.6	123.3	128.8	-68.2	166.3	0	0	0	121.1
841	S	24	Very low	25.4	Very low	110 Å²	110	151.6 Å²	151.6	77%	0.769	80%	0.795	S	S	*	*			trans	86	151.7	132.5	39.6	0	0	0	0	121
842	P	31.1	Very low	25.4	Very low	111 Å²	111	149.9 Å²	149.9	72%	0.721	79%	0.794	S	S	*	*			trans	-119.6	-167.1	-134.4	41.4	-27.2	0	0	0	113.8
843	E	22.2	Very low	25.5	Very low	174 Å²	174	147.5 Å²	147.5	81%	0.813	79%	0.791	S	S	*	*			trans	79.9	99.4	165.9	-66.6	-179.7	170.7	0	0	116.8
844	H	27.5	Very low	25.8	Very low	178 Å²	178	149.5 Å²	149.5	82%	0.824	80%	0.799	S	S	*	*			trans	-135.9	96.6	143	-121.4	-67.1	0	0	0	109.7	S846	H844-S846 PolarHBondContact O-N 3.45Å
845	V	23.2	Very low	25.7	Very low	130 Å²	130	149.8 Å²	149.8	79%	0.788	80%	0.801	S	S	*	*			trans	-59.6	118.5	158.9	174.7	0	0	0	0	106.9
846	S	28.7	Very low	26.2	Very low	107 Å²	107	149.5 Å²	149.5	75%	0.748	80%	0.804	S	S	*	*			trans	-121.6	119.7	167.4	-75.8	0	0	0	0	109.8	H844	H844-S846 PolarHBondContact O-N 3.45Å
847	T	25.1	Very low	26.3	Very low	120 Å²	120	147 Å²	147	74%	0.736	80%	0.803	S	S	*	*			trans	-66.2	143.5	-179	33.5	0	0	0	0	114.3
848	R	21.4	Very low	26.6	Very low	219 Å²	219	151.2 Å²	151.2	83%	0.826	81%	0.813	S	S	*	*			trans	39.9	119.4	140.4	-74.3	179.5	169.8	176.6	-2.8	118.1
849	T	29.5	Very low	26.6	Very low	145 Å²	145	151.3 Å²	151.3	89%	0.89	81%	0.813	S	S	*	*			trans	-146.5	117.5	132.7	22.6	0	0	0	0	109.9
850	H	25.3	Very low	26.7	Very low	181 Å²	181	147.9 Å²	147.9	84%	0.838	81%	0.813	S	S	*	*			trans	-65.6	132.3	164.2	-82.4	-96.9	0	0	0	108.7
851	S	29.8	Very low	27	Very low	123 Å²	123	146.9 Å²	146.9	86%	0.86	82%	0.818	S	S	*	*			trans	-132.3	119.1	152	62.2	0	0	0	0	108.6
852	S	24.7	Very low	27.2	Very low	106 Å²	106	151.9 Å²	151.9	74%	0.741	83%	0.826	S	S	*	*			trans	-90.1	173.7	173.3	45.1	0	0	0	0	109.6
853	V	26.4	Very low	27.2	Very low	122 Å²	122	150.3 Å²	150.3	74%	0.739	83%	0.83	S	S	*	*			trans	94.9	100.9	160.4	-161	0	0	0	0	115.4
854	T	30.5	Very low	27.4	Very low	134 Å²	134	151.3 Å²	151.3	82%	0.822	84%	0.835	S	S	*	*				178.7	104.6	106.3	29.5	0	0	0	0	110.5
855	D	26	Very low	27.5	Very low	165 Å²	165	152 Å²	152	88%	0.882	84%	0.838	S	S	*	*			trans	-72.1	132.5	160.2	-89.8	-45.7	0	0	0	110
856	K	29	Very low	27.8	Very low	204 Å²	204	157.2 Å²	157.2	89%	0.887	84%	0.844	S	S	*	*			trans	-141.8	123.9	154.1	-95.4	-170.7	-179.7	176.1	0	110.7
857	P	29.5	Very low	27.7	Very low	125 Å²	125	161 Å²	161	81%	0.812	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-88	131.2	-179.2	33.4	-30.8	0	0	0	111.2
858	M	29.6	Very low	28.1	Very low	196 Å²	196	163.6 Å²	163.6	97%	0.966	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-89.8	125.1	166.8	-89.7	175.3	80.4	0	0	110.3
859	K	28.9	Very low	28.4	Very low	199 Å²	199	160.4 Å²	160.4	87%	0.865	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-66.4	148.1	-176.6	-78.2	175.4	171.5	177.5	0	113
860	S	25.4	Very low	28.3	Very low	114 Å²	114	162.8 Å²	162.8	80%	0.797	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-62.8	146.2	164.5	53.1	0	0	0	0	112.6
861	S	29.3	Very low	28.6	Very low	122 Å²	122	159.6 Å²	159.6	85%	0.853	85%	0.853	S	S	*	*			trans	-150.8	88.3	163.3	-58.4	0	0	0	0	108.3	G863	S861-G863 PolarHBondContact O-N 3.31Å
862	K	28.7	Very low	28.4	Very low	214 Å²	214	161 Å²	161	93%	0.93	85%	0.851	S	S	*	*			trans	-83.9	102.5	166.4	-85.9	-177.4	173.8	179.5	0	107.4
863	G	31	Very low	28.8	Very low	79 Å²	79	161.9 Å²	161.9	81%	0.814	85%	0.852	S	S	*	*			trans	-88.8	120.1	170.5	0	0	0	0	0	110.5	S861	S861-G863 PolarHBondContact O-N 3.31Å
864	Q	26.3	Very low	28.9	Very low	195 Å²	195	161.9 Å²	161.9	91%	0.911	85%	0.852	S	S	*	*			trans	-84.9	127.6	166.5	-71.7	171.3	-24.4	0	0	109.1
865	Q	29.8	Very low	29	Very low	192 Å²	192	162.5 Å²	162.5	90%	0.897	85%	0.85	S	S	*	*			trans	-151.8	91.2	165.4	-121.7	166.7	-8.6	0	0	107
866	R	28.4	Very low	29.2	Very low	239 Å²	239	161.6 Å²	161.6	90%	0.902	85%	0.845	S	S	*	*				78.7	114	88.6	-148.1	178.1	-164.8	-178.4	3.9	112.3
867	E	26.5	Very low	29.1	Very low	188 Å²	188	156.6 Å²	156.6	88%	0.879	84%	0.842	S	S	*	*			trans	-49.5	142.1	177.6	-64.3	161	129.4	0	0	113.5
868	L	33	Very low	29.2	Very low	173 Å²	173	156 Å²	156	91%	0.906	84%	0.841	S	S	*	*			trans	-121.1	138.8	161.7	-91	163.8	0	0	0	109.9
869	N	29.1	Very low	29.2	Very low	152 Å²	152	153.6 Å²	153.6	81%	0.813	83%	0.832	S	S	*	*			trans	-70.8	149.3	-159.8	-85	-45.7	0	0	0	116.3
870	K	26.9	Very low	29.5	Very low	196 Å²	196	152.1 Å²	152.1	85%	0.852	83%	0.834	S	S	*	*			trans	-19.8	133.5	147.9	-67.5	170.7	174.2	176.1	0	115.8
871	S	30.9	Very low	29.8	Very low	113 Å²	113	153.7 Å²	153.7	79%	0.79	83%	0.833	S	S	*	*			trans	-142.5	111.5	138.9	51.9	0	0	0	0	109.6
872	N	27.4	Very low	29.8	Very low	152 Å²	152	150.9 Å²	150.9	81%	0.813	82%	0.823	S	S	*	*			trans	-75.7	126.1	166.5	-84.3	-19.5	0	0	0	107.7
873	V	31.4	Very low	30.1	Very low	125 Å²	125	147.6 Å²	147.6	76%	0.758	82%	0.816	S	S	*	*			trans	-120.4	100.5	157.6	178.7	0	0	0	0	106.4
874	V	28.8	Very low	30.1	Very low	123 Å²	123	151.8 Å²	151.8	75%	0.745	82%	0.82	S	S	*	*			trans	-83.4	118	165.9	172.5	0	0	0	0	105.4
875	N	32.5	Very low	30.5	Very low	146 Å²	146	153 Å²	153	78%	0.781	82%	0.816	S	S	*	*			trans	-126.5	126.4	163.8	-102.3	-10.5	0	0	0	109.9
876	N	30.4	Very low	30.3	Very low	146 Å²	146	146.4 Å²	146.4	78%	0.781	80%	0.8	S	S	*	*			trans	-31.3	145.6	-179.5	-74.6	-25	0	0	0	119
877	A	26.6	Very low	30.3	Very low	99 Å²	99	142 Å²	142	82%	0.818	79%	0.794	S	S	*	*			trans	-36.6	137.9	151.1	0	0	0	0	0	115.2
878	S	32	Very low	30.6	Very low	114 Å²	114	148.3 Å²	148.3	80%	0.797	81%	0.81	S	S	*	*			trans	-140.1	112.2	147.8	44.2	0	0	0	0	107.2
879	N	29.3	Very low	30.4	Very low	144 Å²	144	147.1 Å²	147.1	77%	0.77	81%	0.805	S	S	*	*			trans	-57	131.1	160.6	-70	-17.5	0	0	0	107.9
880	D	35.4	Very low	30.5	Very low	168 Å²	168	146.8 Å²	146.8	90%	0.898	81%	0.805	S	S	*	*			trans	-127.4	113.7	151.1	-121.6	-13.4	0	0	0	106.8
881	D	32.2	Very low	30.7	Very low	147 Å²	147	144.1 Å²	144.1	79%	0.786	80%	0.802	S	S	*	*			trans	-72.8	147.1	177	-72.3	-58.7	0	0	0	110.3
882	G	28.8	Very low	30.7	Very low	63 Å²	63	145.9 Å²	145.9	65%	0.649	80%	0.803	S	S	*	*			trans	88.5	114.5	150.3	0	0	0	0	0	116
883	D	35.2	Very low	30.9	Very low	146 Å²	146	145.6 Å²	145.6	78%	0.781	80%	0.802	S	S	*	*				-175.7	82.1	123.2	-89.7	-15.8	0	0	0	108.7	W885	D883-W885 PolarHBondContact O-N 3.43Å
884	D	31.9	Very low	30.9	Very low	166 Å²	166	146.9 Å²	146.9	89%	0.888	81%	0.805	S	S	*	*			trans	-71.2	92.2	168.4	-173.7	20.7	0	0	0	108.6
885	W	34.9	Very low	31	Very low	222 Å²	222	148.6 Å²	148.6	84%	0.841	81%	0.81	S	S	*	*			trans	-94.9	92.1	172.2	-82.5	77.9	0	0	0	109.8	D883	D883-W885 PolarHBondContact O-N 3.43Å
886	G	24.5	Very low	30.9	Very low	53 Å²	53	148.8 Å²	148.8	55%	0.546	81%	0.812	S	S	.	*			trans	-74.6	155.5	156.7	0	0	0	0	0	112
887	D	28.9	Very low	31	Very low	147 Å²	147	149.1 Å²	149.1	79%	0.786	81%	0.814	S	S	*	*			trans	72.4	108.9	177	-63.5	-18.6	0	0	0	116.6
888	W	32	Very low	31.4	Very low	320 Å²	320	153.6 Å²	153.6	100%	1.212	81%	0.814	S	S	*	*				-176.8	0	97.6	-99.3	76.5	0	0	0	111.7

Retrieved 888 of 888 residues in 215.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).