A0A087Y5Z3_POEFO Loading...

Phospholipid-transporting ATPase

AlphaFold DB , UniProt , Accession A0A087Y5Z3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,026 aa.

						>A0A087Y5Z3_POEFO|A0A087Y5Z3
MAKASKAKRQRKKKPKENKTRTVHANIHYDNAKGEENPNRHYASNKIKTTKYTVLSFLPKNLFEQFHRFANVYFVFIALLNFVPVVNAFQPELALAPVVFILSVTAIKDLWEDYRRHRSDKEINHMDCLVYSREAKRYVEKYWKELRVGDFIRLRCNEILPADILLLTSSDPDHLCHIETATLDGETNLKQRQIVRSFFDLDCDFDPLKFSSIIECEKPNNDLNRFRGYIIHRNGRRDALHKENLLLRGCTVRNTEEAVGIVIYAGHETKAMLNNNGPRYKRSKLERQMNVDVFWCAFILLVLCLFVAVGHGLWMFQYGDKRPVFDVLSPEGTDLSLVMSVIYLFLTMIIVFQVLIPISLFVSIEIVKICQVYFIHQDMDLYDEETDSQLQCRALNITEDLGQMQYIFSDKTGTLTENKMVFRRCTVAGVEYSHDANARRIAMYQEIDSEEEEFMSHGGTLPRRDSVTSHQSGRVVLRSHSTKSHRRTGSRAEAKRASILSKHTAFSSPMEKDVTPDPQLLDRVNECSSQLDFMRFHHQSMSHLPSGLSDIIDFFIALTICNTVVVTSPNQPRHKVRTRFELKSPVKTFEDFIKRFTPSRLTSGSNSSSSSSLNRSSNRGCSSLLSSPSTESTLTKLNEEHLSGTLEQAFSAFSPQYDEKPPDHPEEGELRYEAESPDEAALVYAARAYKCSLVGRLPDQVMVELPHLGKLTFELLHTLGFDSTRKRMSVVVRHPLTDQITVYTKGADSVIMNLIKPPDTEGNTKGKRQKKIFCRTQNYLNLYAADGLRTLCIAKKTLSKEEYARWLQRHLEAETAIQGREELLFESALRLETNLHLLGATGVEDRLQDGVPETIATLRKAGLQIWVLTGDKQETAVNIAYACKLLDPDEEIITLNADSQEDCGVLLEESLRYIQSKFLCNSRDPSTKTFLSNIAHFEIYPQSSLSSSQTAHFMVHRLGLVIDGRTLAYALDKSLEDKFLAIARSCRSVLCCRSTPLQKSMVVKLVRNKLKVMTLAIGEHRVNDGV
					

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(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	34.9	Very low	32.8	Very low	247 Å²	247	177.9 Å²	177.9	100%	1.217	91%	0.906	S	S	*	*				0	168.9	0	-85.8	-178.6	164.6	0	0	109.7
2	A	33.3	Very low	32.9	Very low	108 Å²	108	180.7 Å²	180.7	89%	0.893	91%	0.907	S	S	*	*			trans	65.7	140.3	179.6	0	0	0	0	0	116.8
3	K	31.9	Very low	33.1	Very low	209 Å²	209	182.1 Å²	182.1	91%	0.909	90%	0.904	S	S	*	*			trans	-102.3	136.7	179.9	-66.2	175.4	179	174.1	0	110.1
4	A	31.9	Very low	33	Very low	104 Å²	104	183.1 Å²	183.1	86%	0.86	90%	0.9	S	S	*	*			trans	-84.9	110.1	172.4	0	0	0	0	0	111.6	K6	A4-K6 PolarHBondContact O-N 3.48Å
5	S	32.3	Very low	33.5	Very low	117 Å²	117	178.5 Å²	178.5	82%	0.818	89%	0.89	S	S	*	*			trans	-88.1	98.4	179.4	42.3	0	0	0	0	112.3	A7	S5-A7 PolarHBondContact O-N 3.29Å
6	K	32.7	Very low	33.8	Very low	204 Å²	204	179.7 Å²	179.7	89%	0.887	89%	0.888	S	S	*	*			trans	-70.4	96.7	173.4	-78.6	-176.3	175.8	175.7	0	111.6	A4 K8	A4-K6 PolarHBondContact O-N 3.48Å; K6-K8 PolarHBondContact O-N 3.08Å
7	A	33.2	Very low	34.4	Very low	99 Å²	99	178.5 Å²	178.5	82%	0.818	88%	0.879	S	S	*	*			trans	-63.6	104.3	171.1	0	0	0	0	0	111.3	S5 R9	S5-A7 PolarHBondContact O-N 3.29Å; A7-R9 PolarHBondContact O-N 3.35Å
8	K	32.1	Very low	35.7	Very low	199 Å²	199	175.1 Å²	175.1	87%	0.865	87%	0.865	S	S	*	*			trans	-69.8	95.3	173.8	-79.4	-176.6	176.9	175.2	0	110.3	K6 Q10	K6-K8 PolarHBondContact O-N 3.08Å; K8-Q10 PolarHBondContact O-N 2.99Å
9	R	32.8	Very low	37.5	Very low	243 Å²	243	175.7 Å²	175.7	92%	0.917	86%	0.863	S	S	*	*			trans	-54.4	105.9	160.7	-105	-178.5	166.2	177.4	-4.4	108.6	A7 R11	A7-R9 PolarHBondContact O-N 3.35Å; R9-R11 PolarHBondContact O-N 3.37Å
10	Q	32.7	Very low	39.7	Very low	189 Å²	189	169.5 Å²	169.5	88%	0.883	84%	0.835	S	S	*	*			trans	-66.5	102	171.8	-70.4	-170.7	3.9	0	0	108.8	K8 K12	K8-Q10 PolarHBondContact O-N 2.99Å; Q10-K12 PolarHBondContact O-N 3.35Å; Q10-K12 VanDerWaalsContact O-N 3.09Å
11	R	33.5	Very low	42.1	Very low	238 Å²	238	162 Å²	162	90%	0.898	80%	0.797	S	S	*	*			trans	-59.5	112.9	162	-83.9	179.9	162.7	172.6	-5.9	107.1	R9 K13	R9-R11 PolarHBondContact O-N 3.37Å; R11-K13 PolarHBondContact O-N 3.31Å
12	K	33.8	Very low	44.7	Very low	211 Å²	211	152.5 Å²	152.5	92%	0.917	75%	0.753	S	S	*	*			trans	-50.4	114	164.3	-79.7	-174.6	173.7	-177.7	0	107	Q10 K14	Q10-K12 PolarHBondContact O-N 3.35Å; Q10-K12 VanDerWaalsContact O-N 3.09Å; K12-K14 PolarHBondContact O-N 3.12Å
13	K	34.8	Very low	47.4	Very low	199 Å²	199	147.3 Å²	147.3	87%	0.865	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-58.6	128.7	168.1	-75.3	179.8	175.6	176.1	0	106.2	R11	R11-K13 PolarHBondContact O-N 3.31Å
14	K	32.7	Very low	50.1	Low	196 Å²	196	139.2 Å²	139.2	85%	0.852	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-53.6	137	159.9	-73.1	-172.8	173.5	-171.7	0	106.7	K12	K12-K14 PolarHBondContact O-N 3.12Å
15	P	39.8	Very low	52.7	Low	115 Å²	115	134.3 Å²	134.3	75%	0.747	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-55.3	145.2	171.4	25.5	-33.3	0	0	0	108.6	E17	P15-E17 PolarHBondContact O-N 3.38Å
16	K	37.9	Very low	55.1	Low	197 Å²	197	129.1 Å²	129.1	86%	0.857	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-58.7	124.3	166.1	-77.4	-178.5	173.2	-178.2	0	106.3	N18	K16-N18 PolarHBondContact O-N 3.16Å
17	E	45.3	Very low	57.2	Low	159 Å²	159	119.8 Å²	119.8	74%	0.743	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-65	119.6	169.8	-73.3	-169.2	-157.4	0	0	108.8	P15 K218	P15-E17 PolarHBondContact O-N 3.38Å; E17-K218 IonicContact OE2-NZ 3.58Å; E17-K218 PolarHBondContact OE2-NZ 3.48Å
18	N	56.5	Low	58.9	Low	117 Å²	117	119.1 Å²	119.1	63%	0.626	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-60.3	139.9	167.6	-70.4	-7.8	0	0	0	108.6	K16 T20 K218	K16-N18 PolarHBondContact O-N 3.16Å; N18-T20 VanDerWaalsContact C-N 3.28Å; N18-K218 WeakPolarHBondContact O-CE 3.49Å; N18-K218 PolarHBondContact O-NZ 3.39Å
19	K	70.9	Confident	60.6	Low	188 Å²	188	113.1 Å²	113.1	82%	0.817	51%	0.511	S	S	*	.	S	Bend	trans	-79.1	-15.8	179.9	-67.8	-173.5	176.2	-175.5	0	112.6
20	T	81.6	Confident	62	Low	51 Å²	51	105.6 Å²	105.6	31%	0.313	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	162.2	-175.9	44.1	0	0	0	0	111.9	N18 E215 C216	N18-T20 VanDerWaalsContact C-N 3.28Å; T20-E215 WeakPolarHBondContact CB-OE1 3.39Å; T20-E215 HydrophobicContact CG2-CG 4.06Å; T20-E215 WeakPolarHBondContact CG2-OE1 3.37Å; T20-E215 PolarHBondContact OG1-OE1 3.07Å; T20-C216 CarbonylContact C-O 3.59Å; T20-C216 VanDerWaalsContact CA-O 3.22Å; T20-C216 WeakPolarHBondContact CA-O 3.38Å; T20-C216 VanDerWaalsContact CB-O 3.3Å; T20-C216 WeakPolarHBondContact CB-O 3.34Å
21	R	88.8	Confident	63	Low	11 Å²	11	103 Å²	103	4%	0.042	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	137.9	174.3	177	-170.9	-172.2	99.7	-16.2	107.8	V23 Y42 V148 E215 C216 I263 E268	R21-V23 HydrophobicContact CG-CG2 4.28Å; R21-Y42 HydrophobicContact CG-CE1 3.78Å; R21-Y42 WeakPolarHBondContact CG-OH 3.09Å; R21-Y42 VanDerWaalsContact NH1-CD1 3.32Å; R21-V148 VanDerWaalsContact NH2-CG2 3.32Å; R21-E215 WeakPolarHBondContact O-CA 3.37Å; R21-C216 PolarHBondContact N-O 3.12Å; R21-C216 PolarHBondContact O-N 3.17Å; R21-I263 VanDerWaalsContact CZ-O 3.32Å; R21-I263 PolarHBondContact NE-O 1.84Å; R21-I263 PolarHBondContact NH2-O 3.3Å; R21-E268 IonicContact CZ-OE1 3.19Å; R21-E268 IonicContact CZ-OE2 3.93Å; R21-E268 IonicContact NH1-OE1 3.9Å; R21-E268 PolarHBondContact NH1-OE1 2.8Å; R21-E268 IonicContact NH1-OE2 3.42Å; R21-E268 PolarHBondContact NH1-OE2 2.86Å; R21-E268 IonicContact NH2-OE1 2.7Å; R21-E268 IonicContact NH2-OE2 2.8Å; R21-E268 PolarHBondContact NH2-OE2 3.34Å
22	T	89.6	Confident	64	Low	48 Å²	48	93.1 Å²	93.1	29%	0.294	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	121.3	179.1	-47.7	0	0	0	0	109.5	Y42 I213 I214	T22-Y42 PolarHBondContact N-OH 3.47Å; T22-Y42 WeakPolarHBondContact O-CE2 3.5Å; T22-Y42 PolarHBondContact O-OH 3.02Å; T22-I213 HydrophobicContact CG2-CG2 3.39Å; T22-I214 CarbonylContact C-O 3.58Å; T22-I214 WeakPolarHBondContact CA-O 3.46Å
23	V	89.8	Confident	64.8	Low	0 Å²	0	91 Å²	91	0%	0	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	130.3	-179.3	178.6	0	0	0	0	109.2	R21 V148 I214 I263	R21-V23 HydrophobicContact CG-CG2 4.28Å; V23-V148 HydrophobicContact CB-CG1 4.33Å; V23-V148 HydrophobicContact CG1-CG1 3.8Å; V23-V148 HydrophobicContact CG2-CG1 3.61Å; V23-I214 HydrophobicContact CB-CB 4.32Å; V23-I214 PolarHBondContact N-O 3.12Å; V23-I214 PolarHBondContact O-N 2.8Å; V23-I263 HydrophobicContact CG1-CD1 4.48Å
24	H	88.9	Confident	65.7	Low	38 Å²	38	83.8 Å²	83.8	18%	0.176	42%	0.423	C	S	.	.			trans	-111	157.2	174.1	-61.9	-106.8	0	0	0	109.7	N26 Y29 P38 N39 G149	H24-N26 PolarHBondContact O-N 3.11Å; H24-Y29 HydrophobicContact CB-CE2 4.01Å; H24-P38 HydrophobicContact CB-CG 3.94Å; H24-N39 PolarHBondContact N-OD1 3.46Å; H24-N39 PolarHBondContact O-ND2 2.7Å; H24-G149 WeakPolarHBondContact O-CA 3.46Å
25	A	86.4	Confident	66.9	Low	2 Å²	2	82.5 Å²	82.5	2%	0.017	42%	0.42	C	S	.	.			trans	-71.6	124.6	170.8	0	0	0	0	0	111.3	I27 H28 F151 F210 I261	A25-I27 VanDerWaalsContact C-N 3.25Å; A25-I27 PolarHBondContact O-N 3.46Å; A25-H28 PolarHBondContact O-N 3.44Å; A25-F151 HydrophobicContact CB-CE2 3.61Å; A25-F151 HydrophobicContact CB-CZ 3.81Å; A25-F210 HydrophobicContact CB-CD1 4Å; A25-F210 HydrophobicContact CB-CE1 4.44Å; A25-I261 HydrophobicContact CB-CD1 4.45Å
26	N	82.4	Confident	68	Low	7 Å²	7	82.9 Å²	82.9	4%	0.037	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-63.5	-29.2	-176.6	-79.2	-33.7	0	0	0	113.4	H24 H28 Y29 D30 N37 N39 V148 G149 D150	H24-N26 PolarHBondContact O-N 3.11Å; N26-H28 PolarHBondContact O-N 3.07Å; N26-Y29 WeakPolarHBondContact O-CA 3.3Å; N26-Y29 PolarHBondContact O-N 3.08Å; N26-D30 PolarHBondContact O-N 3.08Å; N26-N37 PolarHBondContact OD1-ND2 2.98Å; N26-N39 PolarHBondContact OD1-ND2 3.43Å; N26-V148 PolarHBondContact ND2-O 2.9Å; N26-G149 PolarHBondContact N-O 3.04Å; N26-D150 PolarHBondContact ND2-N 3.2Å; N26-D150 PolarHBondContact ND2-OD1 3.19Å
27	I	77.8	Confident	69.6	Low	8 Å²	8	74.7 Å²	74.7	4%	0.041	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-46.2	-37.3	178.1	-65.3	-179.1	0	0	0	112.9	A25 Y29 D30 Y131 R133 F151 P207 L208	A25-I27 VanDerWaalsContact C-N 3.25Å; A25-I27 PolarHBondContact O-N 3.46Å; I27-Y29 VanDerWaalsContact C-N 3.27Å; I27-Y29 PolarHBondContact O-N 3.37Å; I27-D30 WeakPolarHBondContact CA-OD2 3.5Å; I27-Y131 HydrophobicContact CD1-CD1 3.49Å; I27-Y131 VanDerWaalsContact CD1-CD1 3.49Å; I27-Y131 HydrophobicContact CD1-CE1 3.93Å; I27-Y131 HydrophobicContact CD1-CG 4.41Å; I27-Y131 HydrophobicContact CG1-CD1 4.31Å; I27-R133 HydrophobicContact CG2-CB 4.32Å; I27-R133 HydrophobicContact CG2-CG 4.23Å; I27-R133 VanDerWaalsContact O-CD 3.25Å; I27-R133 WeakPolarHBondContact O-CD 3.23Å; I27-R133 PolarHBondContact O-NH1 3.32Å; I27-F151 HydrophobicContact CD1-CD2 3.48Å; I27-F151 VanDerWaalsContact CD1-CD2 3.48Å; I27-F151 HydrophobicContact CD1-CE2 3.55Å; I27-F151 HydrophobicContact CG1-CD2 4.08Å; I27-F151 HydrophobicContact CG1-CE2 4.11Å; I27-P207 HydrophobicContact CD1-CB 3.44Å; I27-P207 VanDerWaalsContact CD1-CB 3.44Å; I27-L208 HydrophobicContact CG2-CD2 3.88Å
28	H	68.3	Low	71	Confident	86 Å²	86	69.2 Å²	69.2	40%	0.398	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-73.1	-18.6	-178.9	-62.3	-65.1	0	0	0	113.8	A25 N26 F210	A25-H28 PolarHBondContact O-N 3.44Å; N26-H28 PolarHBondContact O-N 3.07Å; H28-F210 PolarHBondContact NE2-O 2.87Å
29	Y	68.6	Low	72.1	Confident	72 Å²	72	64.1 Å²	64.1	28%	0.282	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-0.4	-170.8	-58.3	-84.3	0	0	0	114.1	H24 N26 I27 N31 A32 P38	H24-Y29 HydrophobicContact CB-CE2 4.01Å; N26-Y29 WeakPolarHBondContact O-CA 3.3Å; N26-Y29 PolarHBondContact O-N 3.08Å; I27-Y29 VanDerWaalsContact C-N 3.27Å; I27-Y29 PolarHBondContact O-N 3.37Å; Y29-N31 VanDerWaalsContact C-N 3.25Å; Y29-N31 PolarHBondContact O-N 3.3Å; Y29-A32 VanDerWaalsContact O-CB 3.32Å; Y29-A32 WeakPolarHBondContact O-CB 3.5Å; Y29-A32 PolarHBondContact O-N 3.39Å; Y29-P38 HydrophobicContact CD2-CG 4.47Å; Y29-P38 HydrophobicContact CE1-CG 4.33Å; Y29-P38 HydrophobicContact CE2-CG 4Å
30	D	61.1	Low	72.4	Confident	85 Å²	85	62.4 Å²	62.4	46%	0.455	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-36.5	-179.7	-69.4	-32.1	0	0	0	113.2	N26 I27 A32 R133	N26-D30 PolarHBondContact O-N 3.08Å; I27-D30 WeakPolarHBondContact CA-OD2 3.5Å; D30-A32 VanDerWaalsContact C-N 3.34Å; D30-R133 WeakPolarHBondContact OD2-CB 3.43Å
31	N	54.3	Low	72.4	Confident	134 Å²	134	68.3 Å²	68.3	72%	0.717	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-7.7	178.8	-68.2	19.8	0	0	0	113.7	Y29	Y29-N31 VanDerWaalsContact C-N 3.25Å; Y29-N31 PolarHBondContact O-N 3.3Å
32	A	54.7	Low	72.2	Confident	31 Å²	31	70.7 Å²	70.7	26%	0.256	35%	0.35	S	S	.	.	S	Bend	trans	-82.9	150.1	-175.2	0	0	0	0	0	110.6	Y29 D30 G34 E36	Y29-A32 VanDerWaalsContact O-CB 3.32Å; Y29-A32 WeakPolarHBondContact O-CB 3.5Å; Y29-A32 PolarHBondContact O-N 3.39Å; D30-A32 VanDerWaalsContact C-N 3.34Å; A32-G34 PolarHBondContact O-N 2.97Å; A32-E36 HydrophobicContact CB-CB 3.94Å
33	K	50.6	Low	71.9	Confident	167 Å²	167	70.1 Å²	70.1	73%	0.726	35%	0.351	S	S	*	.			trans	-58.9	135.3	169.6	-74.3	-179.8	-179.5	174.7	0	107.7	E35 E36	K33-E35 PolarHBondContact O-N 3.44Å; K33-E36 WeakPolarHBondContact O-CB 3.36Å; K33-E36 PolarHBondContact O-N 3.24Å
34	G	53.9	Low	71.8	Confident	48 Å²	48	73.4 Å²	73.4	50%	0.495	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-0.5	-167.9	0	0	0	0	0	116.8	A32 R40	A32-G34 PolarHBondContact O-N 2.97Å; G34-R40 WeakPolarHBondContact O-CD 3.13Å; G34-R40 PolarHBondContact O-NH1 2.92Å
35	E	56.8	Low	72	Confident	169 Å²	169	71.6 Å²	71.6	79%	0.79	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-17.2	168.8	-67.5	-178.6	157.4	0	0	113.2	K33	K33-E35 PolarHBondContact O-N 3.44Å
36	E	63	Low	72.3	Confident	123 Å²	123	77.5 Å²	77.5	58%	0.575	39%	0.39	S	S	*	.	S	Bend	trans	-92	-11.8	-176.7	-65.9	167.1	-148.1	0	0	113.8	A32 K33 P38	A32-E36 HydrophobicContact CB-CB 3.94Å; K33-E36 WeakPolarHBondContact O-CB 3.36Å; K33-E36 PolarHBondContact O-N 3.24Å; E36-P38 WeakPolarHBondContact O-CD 2.95Å
37	N	71.8	Confident	72.6	Confident	24 Å²	24	77.6 Å²	77.6	13%	0.128	39%	0.391	C	S	.	.			trans	-76.5	117.4	177.1	-178.8	-41.2	0	0	0	110.5	N26 N39 R40	N26-N37 PolarHBondContact OD1-ND2 2.98Å; N37-N39 VanDerWaalsContact C-N 3.26Å; N37-N39 PolarHBondContact O-N 2.93Å; N37-N39 WeakPolarHBondContact OD1-CA 3.36Å; N37-N39 WeakPolarHBondContact OD1-CB 3.3Å; N37-N39 PolarHBondContact OD1-N 3.26Å; N37-R40 WeakPolarHBondContact O-CB 3.41Å; N37-R40 PolarHBondContact O-N 3.29Å
38	P	74.6	Confident	73	Confident	45 Å²	45	81.8 Å²	81.8	29%	0.292	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-67	-22.9	-174.8	28.2	-36	0	0	0	113.9	H24 Y29 E36 R40	H24-P38 HydrophobicContact CB-CG 3.94Å; Y29-P38 HydrophobicContact CD2-CG 4.47Å; Y29-P38 HydrophobicContact CE1-CG 4.33Å; Y29-P38 HydrophobicContact CE2-CG 4Å; E36-P38 WeakPolarHBondContact O-CD 2.95Å; P38-R40 VanDerWaalsContact C-N 3.34Å
39	N	80.4	Confident	73.6	Confident	10 Å²	10	80.1 Å²	80.1	5%	0.053	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-81.9	-8.4	-179.6	-60	-39	0	0	0	113.2	H24 N26 N37 H41 Y42 V148	H24-N39 PolarHBondContact N-OD1 3.46Å; H24-N39 PolarHBondContact O-ND2 2.7Å; N26-N39 PolarHBondContact OD1-ND2 3.43Å; N37-N39 VanDerWaalsContact C-N 3.26Å; N37-N39 PolarHBondContact O-N 2.93Å; N37-N39 WeakPolarHBondContact OD1-CA 3.36Å; N37-N39 WeakPolarHBondContact OD1-CB 3.3Å; N37-N39 PolarHBondContact OD1-N 3.26Å; N39-H41 PolarHBondContact O-N 3.36Å; N39-Y42 HydrophobicContact CB-CD2 3.97Å; N39-Y42 HydrophobicContact CB-CE2 4.32Å; N39-Y42 WeakPolarHBondContact O-CD2 3.46Å; N39-Y42 PolarHBondContact O-N 2.79Å; N39-V148 PolarHBondContact ND2-O 2.99Å
40	R	77.3	Confident	74.3	Confident	151 Å²	151	77.5 Å²	77.5	57%	0.57	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-58.5	-21.5	-174.7	174.8	168.9	168.8	-163.8	-5.5	114.4	G34 N37 P38 Y42	G34-R40 WeakPolarHBondContact O-CD 3.13Å; G34-R40 PolarHBondContact O-NH1 2.92Å; N37-R40 WeakPolarHBondContact O-CB 3.41Å; N37-R40 PolarHBondContact O-N 3.29Å; P38-R40 VanDerWaalsContact C-N 3.34Å; R40-Y42 VanDerWaalsContact C-N 3.32Å
41	H	80.9	Confident	75.1	Confident	176 Å²	176	78 Å²	78	82%	0.815	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-79.5	-10	179.1	-59.8	-42.1	0	0	0	114.3	N39	N39-H41 PolarHBondContact O-N 3.36Å
42	Y	85.9	Confident	76.4	Confident	60 Å²	60	72.1 Å²	72.1	24%	0.235	36%	0.362	C	S	.	.	S	Bend	trans	-84.3	164.9	179.7	-57.7	-50	0	0	0	113.2	R21 T22 N39 R40 V148	R21-Y42 HydrophobicContact CG-CE1 3.78Å; R21-Y42 WeakPolarHBondContact CG-OH 3.09Å; R21-Y42 VanDerWaalsContact NH1-CD1 3.32Å; T22-Y42 PolarHBondContact N-OH 3.47Å; T22-Y42 WeakPolarHBondContact O-CE2 3.5Å; T22-Y42 PolarHBondContact O-OH 3.02Å; N39-Y42 HydrophobicContact CB-CD2 3.97Å; N39-Y42 HydrophobicContact CB-CE2 4.32Å; N39-Y42 WeakPolarHBondContact O-CD2 3.46Å; N39-Y42 PolarHBondContact O-N 2.79Å; R40-Y42 VanDerWaalsContact C-N 3.32Å; Y42-V148 HydrophobicContact CD2-CB 3.91Å; Y42-V148 HydrophobicContact CD2-CG1 3.59Å; Y42-V148 HydrophobicContact CD2-CG2 4.43Å; Y42-V148 HydrophobicContact CE2-CG1 4.1Å; Y42-V148 HydrophobicContact CG-CB 4.36Å; Y42-V148 HydrophobicContact CG-CG1 4.28Å; Y42-V148 HydrophobicContact CG-CG2 4.39Å
43	A	81.8	Confident	77.9	Confident	37 Å²	37	73.8 Å²	73.8	31%	0.306	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-68.3	146.2	-178.8	0	0	0	0	0	112.5	E268	A43-E268 HydrophobicContact CB-CG 3.84Å; A43-E268 PolarHBondContact N-OE2 2.99Å
44	S	88.8	Confident	79.5	Confident	68 Å²	68	72.7 Å²	72.7	48%	0.476	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-69.4	147.6	163.7	161.5	0	0	0	0	110	K46 K144	S44-K46 PolarHBondContact O-N 2.9Å; S44-K46 VanDerWaalsContact O-N 3.1Å; S44-K46 WeakPolarHBondContact OG-CB 3.37Å; S44-K46 PolarHBondContact OG-N 3.46Å; S44-K144 PolarHBondContact OG-O 3.28Å
45	N	93.3	Very high	81	Confident	0 Å²	0	78 Å²	78	0%	0	39%	0.393	C	S	.	.	S	Bend	trans	-70.1	-1.5	177	-164	50	0	0	0	114.8	I47 W143 L146 P161 R248 A265 G266	N45-I47 PolarHBondContact O-N 2.9Å; N45-W143 WeakPolarHBondContact CB-O 3.38Å; N45-W143 PolarHBondContact ND2-O 3.16Å; N45-L146 HydrophobicContact CB-CB 3.83Å; N45-L146 WeakPolarHBondContact CB-O 3.39Å; N45-L146 PolarHBondContact N-O 3.39Å; N45-P161 PolarHBondContact ND2-O 2.96Å; N45-P161 PolarHBondContact OD1-O 3.32Å; N45-R248 PolarHBondContact ND2-NH1 3.48Å; N45-R248 PolarHBondContact O-NH1 2.96Å; N45-R248 PolarHBondContact OD1-NH1 3.16Å; N45-A265 HydrophobicContact CB-CB 3.96Å; N45-G266 PolarHBondContact OD1-N 3.3Å
46	K	92.3	Very high	82.5	Confident	126 Å²	126	71.3 Å²	71.3	55%	0.548	36%	0.364	S	S	.	.			trans	-62.5	115	175.8	-175.9	178.5	-179.2	174.4	0	111.8	S44 N124 K144	S44-K46 PolarHBondContact O-N 2.9Å; S44-K46 VanDerWaalsContact O-N 3.1Å; S44-K46 WeakPolarHBondContact OG-CB 3.37Å; S44-K46 PolarHBondContact OG-N 3.46Å; K46-N124 VanDerWaalsContact CA-OD1 3.28Å; K46-N124 WeakPolarHBondContact CA-OD1 3.49Å; K46-K144 HydrophobicContact CB-CB 4.19Å; K46-K144 HydrophobicContact CG-CB 4.33Å
47	I	87.6	Confident	83.7	Confident	10 Å²	10	66.8 Å²	66.8	5%	0.051	34%	0.343	C	S	.	.			trans	-77.7	147.1	171.5	-73.7	-172.8	0	0	0	110.4	N45 T49 N124 R248 M272	N45-I47 PolarHBondContact O-N 2.9Å; I47-T49 HydrophobicContact CG2-CG2 3.9Å; I47-N124 PolarHBondContact N-OD1 3.48Å; I47-N124 PolarHBondContact O-ND2 2.83Å; I47-R248 VanDerWaalsContact CD1-NH2 3.26Å; I47-M272 HydrophobicContact CD1-CE 4.33Å; I47-M272 HydrophobicContact CD1-CG 3.91Å; I47-M272 HydrophobicContact CD1-SD 3.63Å; I47-M272 HydrophobicContact CG1-CG 4.47Å; I47-M272 HydrophobicContact CG1-SD 4.47Å; I47-M272 HydrophobicContact CG2-CE 4.37Å
48	K	86.2	Confident	84.5	Confident	95 Å²	95	70.8 Å²	70.8	41%	0.413	36%	0.364	S	S	.	.			trans	-144.3	108.3	168.9	-174.7	-172.5	173.9	-169.6	0	109.4	T50 Y52 T53 D120 H267	K48-T50 WeakPolarHBondContact CE-OG1 3.44Å; K48-T50 VanDerWaalsContact CG-OG1 3.23Å; K48-T50 WeakPolarHBondContact CG-OG1 3.27Å; K48-Y52 PolarHBondContact NZ-O 3.17Å; K48-Y52 VanDerWaalsContact NZ-O 3.14Å; K48-T53 VanDerWaalsContact NZ-CG2 3.28Å; K48-D120 WeakPolarHBondContact CA-OD2 3.31Å; K48-H267 PolarHBondContact N-NE2 2.93Å; K48-H267 PolarHBondContact O-CE1 3.29Å; K48-H267 VanDerWaalsContact O-CE1 3.26Å; K48-H267 PolarHBondContact O-NE2 3.06Å
49	T	82.1	Confident	85.3	Confident	52 Å²	52	72.5 Å²	72.5	32%	0.319	38%	0.375	S	S	.	.			trans	-102.8	-10.6	174.4	64.7	0	0	0	0	113.1	I47 K51 D120	I47-T49 HydrophobicContact CG2-CG2 3.9Å; T49-K51 PolarHBondContact O-N 3.39Å; T49-D120 WeakPolarHBondContact CB-OD1 3.46Å; T49-D120 WeakPolarHBondContact CG2-OD1 3.4Å; T49-D120 VanDerWaalsContact N-CG 3.28Å; T49-D120 PolarHBondContact N-OD1 3.44Å; T49-D120 PolarHBondContact N-OD2 3.31Å; T49-D120 PolarHBondContact OG1-OD1 2.81Å; T49-D120 PolarHBondContact OG1-OD2 2.9Å
50	T	82.9	Confident	85.5	Confident	17 Å²	17	76.8 Å²	76.8	10%	0.104	39%	0.393	C	S	.	.			trans	-58.7	130.5	170.9	56	0	0	0	0	111.8	K48 D113 R116 H117 D120	K48-T50 WeakPolarHBondContact CE-OG1 3.44Å; K48-T50 VanDerWaalsContact CG-OG1 3.23Å; K48-T50 WeakPolarHBondContact CG-OG1 3.27Å; T50-D113 WeakPolarHBondContact CA-OD1 3.48Å; T50-D113 WeakPolarHBondContact CB-OD2 3.21Å; T50-R116 HydrophobicContact CG2-CB 4.15Å; T50-H117 HydrophobicContact CG2-CB 3.51Å; T50-D120 PolarHBondContact N-OD2 2.87Å
51	K	77.7	Confident	85.9	Confident	94 Å²	94	69.7 Å²	69.7	41%	0.409	37%	0.366	S	S	.	.	S	Bend	trans	-74.3	-32.4	-179	-168.2	-177.2	-178.3	-154.6	0	112.4	T49 E64 D113	T49-K51 PolarHBondContact O-N 3.39Å; K51-E64 WeakPolarHBondContact CE-OE1 3.28Å; K51-E64 WeakPolarHBondContact CE-OE2 3.28Å; K51-E64 IonicContact NZ-OE1 3.23Å; K51-E64 PolarHBondContact NZ-OE1 3Å; K51-E64 IonicContact NZ-OE2 2.72Å; K51-E64 PolarHBondContact NZ-OE2 3.11Å; K51-D113 PolarHBondContact N-OD1 2.85Å; K51-D113 PolarHBondContact N-OD2 2.84Å
52	Y	82.3	Confident	86.2	Confident	11 Å²	11	63.8 Å²	63.8	4%	0.043	34%	0.34	C	S	.	.			trans	-108.7	-171.2	-173.5	-50.1	-67.8	0	0	0	112.4	K48 F57 K60 N61 E64 D109 D113	K48-Y52 PolarHBondContact NZ-O 3.17Å; K48-Y52 VanDerWaalsContact NZ-O 3.14Å; Y52-F57 HydrophobicContact CD1-CD2 4.35Å; Y52-F57 AromaticContact CD2-CD2 3.62Å; Y52-F57 HydrophobicContact CD2-CD2 3.62Å; Y52-F57 HydrophobicContact CD2-CE2 4.03Å; Y52-F57 HydrophobicContact CE2-CD2 4.09Å; Y52-F57 HydrophobicContact CE2-CE2 4.05Å; Y52-F57 AromaticContact CG-CD2 3.77Å; Y52-F57 HydrophobicContact CG-CD2 3.77Å; Y52-K60 HydrophobicContact CD1-CB 3.96Å; Y52-K60 HydrophobicContact CD1-CD 4.28Å; Y52-K60 HydrophobicContact CE1-CB 4.06Å; Y52-N61 HydrophobicContact CE1-CB 4.24Å; Y52-N61 PolarHBondContact OH-ND2 3.33Å; Y52-N61 VanDerWaalsContact OH-ND2 3.14Å; Y52-E64 WeakPolarHBondContact CE1-OE2 3.47Å; Y52-E64 PolarHBondContact OH-OE2 3.41Å; Y52-D109 HydrophobicContact CE2-CB 4.37Å; Y52-D113 WeakPolarHBondContact CB-OD2 3.2Å; Y52-D113 HydrophobicContact CD2-CB 3.76Å; Y52-D113 WeakPolarHBondContact CD2-OD2 3.33Å; Y52-D113 HydrophobicContact CE2-CB 4.25Å; Y52-D113 PolarHBondContact N-OD2 2.97Å
53	T	85.8	Confident	86.1	Confident	67 Å²	67	68 Å²	68	41%	0.411	36%	0.36	S	S	.	.			trans	-144.4	160.5	161.8	58.6	0	0	0	0	106.8	K48 L55 S56 F57	K48-T53 VanDerWaalsContact NZ-CG2 3.28Å; T53-L55 PolarHBondContact O-N 2.86Å; T53-L55 VanDerWaalsContact O-N 3.08Å; T53-S56 PolarHBondContact N-OG 2.89Å; T53-S56 VanDerWaalsContact N-OG 3.1Å; T53-S56 CarbonylContact O-C 3.51Å; T53-S56 PolarHBondContact O-N 2.84Å; T53-S56 VanDerWaalsContact OG1-CB 3.3Å; T53-S56 WeakPolarHBondContact OG1-CB 3.22Å; T53-S56 PolarHBondContact OG1-N 2.82Å; T53-S56 VanDerWaalsContact OG1-N 3.13Å; T53-S56 PolarHBondContact OG1-OG 3.41Å; T53-F57 WeakPolarHBondContact O-CB 3.46Å; T53-F57 PolarHBondContact O-N 2.89Å
54	V	83.3	Confident	86	Confident	144 Å²	144	69.4 Å²	69.4	87%	0.873	36%	0.361	S	S	*	.	H	α-helix	trans	-48.8	-43.3	-179.3	-175.1	0	0	0	0	112.5
55	L	86.1	Confident	85.7	Confident	160 Å²	160	66.4 Å²	66.4	84%	0.838	34%	0.339	S	S	*	.	H	α-helix	trans	-80.5	-30.4	178.1	-61.5	176	0	0	0	114.5	T53	T53-L55 PolarHBondContact O-N 2.86Å; T53-L55 VanDerWaalsContact O-N 3.08Å
56	S	88.4	Confident	85.2	Confident	27 Å²	27	69.9 Å²	69.9	19%	0.189	35%	0.354	C	S	.	.	H	α-helix	trans	-92.7	-5.2	179.7	73.1	0	0	0	0	114.1	T53 K60	T53-S56 PolarHBondContact N-OG 2.89Å; T53-S56 VanDerWaalsContact N-OG 3.1Å; T53-S56 CarbonylContact O-C 3.51Å; T53-S56 PolarHBondContact O-N 2.84Å; T53-S56 VanDerWaalsContact OG1-CB 3.3Å; T53-S56 WeakPolarHBondContact OG1-CB 3.22Å; T53-S56 PolarHBondContact OG1-N 2.82Å; T53-S56 VanDerWaalsContact OG1-N 3.13Å; T53-S56 PolarHBondContact OG1-OG 3.41Å; S56-K60 WeakPolarHBondContact O-CB 3.43Å; S56-K60 WeakPolarHBondContact O-CG 3.39Å; S56-K60 PolarHBondContact O-N 3.38Å
57	F	89.1	Confident	84.5	Confident	28 Å²	28	69.2 Å²	69.2	12%	0.123	35%	0.353	C	S	.	.	H	α-helix	trans	-59.6	-64	-179.5	172.9	-100.6	0	0	0	110.6	Y52 T53 K60 N61 A106 L110	Y52-F57 HydrophobicContact CD1-CD2 4.35Å; Y52-F57 AromaticContact CD2-CD2 3.62Å; Y52-F57 HydrophobicContact CD2-CD2 3.62Å; Y52-F57 HydrophobicContact CD2-CE2 4.03Å; Y52-F57 HydrophobicContact CE2-CD2 4.09Å; Y52-F57 HydrophobicContact CE2-CE2 4.05Å; Y52-F57 AromaticContact CG-CD2 3.77Å; Y52-F57 HydrophobicContact CG-CD2 3.77Å; T53-F57 WeakPolarHBondContact O-CB 3.46Å; T53-F57 PolarHBondContact O-N 2.89Å; F57-K60 PolarHBondContact O-N 3.37Å; F57-N61 HydrophobicContact CD2-CB 4.35Å; F57-N61 HydrophobicContact CE2-CB 3.99Å; F57-N61 HydrophobicContact CZ-CB 4.1Å; F57-N61 WeakPolarHBondContact O-CB 3.43Å; F57-N61 PolarHBondContact O-N 2.75Å; F57-A106 HydrophobicContact CE1-CB 4.33Å; F57-A106 HydrophobicContact CZ-CB 4.05Å; F57-A106 WeakPolarHBondContact CZ-O 3.44Å; F57-L110 HydrophobicContact CD1-CD1 4.43Å; F57-L110 HydrophobicContact CD2-CD1 4.12Å; F57-L110 HydrophobicContact CE1-CB 4.36Å; F57-L110 HydrophobicContact CE1-CD1 4.43Å; F57-L110 HydrophobicContact CE2-CB 3.84Å; F57-L110 HydrophobicContact CE2-CD1 4.12Å; F57-L110 HydrophobicContact CG-CD1 4.31Å; F57-L110 HydrophobicContact CZ-CB 3.69Å; F57-L110 HydrophobicContact CZ-CD1 4.31Å; F57-L110 HydrophobicContact CZ-CG 4.45Å
58	L	88.3	Confident	83.9	Confident	109 Å²	109	71.2 Å²	71.2	57%	0.571	36%	0.36	S	S	*	.	H	α-helix	trans	-54.6	-52.9	-177.5	-172.9	66.9	0	0	0	113	L62	L58-L62 HydrophobicContact CD1-CD1 3.77Å; L58-L62 HydrophobicContact CD1-CG 4.1Å; L58-L62 HydrophobicContact CG-CD1 3.92Å; L58-L62 VanDerWaalsContact O-CB 3.27Å; L58-L62 WeakPolarHBondContact O-CB 2.99Å; L58-L62 VanDerWaalsContact O-CG 3.26Å; L58-L62 WeakPolarHBondContact O-CG 3.38Å; L58-L62 PolarHBondContact O-N 3.19Å
59	P	89.9	Confident	83.4	Confident	80 Å²	80	74.1 Å²	74.1	52%	0.519	37%	0.372	S	S	.	.	H	α-helix	trans	-68.6	-37.3	-178.2	26.1	-35.2	0	0	0	113.8	F63	P59-F63 VanDerWaalsContact O-CB 3.25Å; P59-F63 WeakPolarHBondContact O-CB 3.44Å; P59-F63 PolarHBondContact O-N 3.15Å
60	K	85	Confident	83.1	Confident	100 Å²	100	71.6 Å²	71.6	44%	0.435	36%	0.357	S	S	.	.	H	α-helix	trans	-72.8	-43.4	176.9	-72.5	-173.8	174.5	-168.9	0	112	Y52 S56 F57 F63 E64	Y52-K60 HydrophobicContact CD1-CB 3.96Å; Y52-K60 HydrophobicContact CD1-CD 4.28Å; Y52-K60 HydrophobicContact CE1-CB 4.06Å; S56-K60 WeakPolarHBondContact O-CB 3.43Å; S56-K60 WeakPolarHBondContact O-CG 3.39Å; S56-K60 PolarHBondContact O-N 3.38Å; F57-K60 PolarHBondContact O-N 3.37Å; K60-F63 PolarHBondContact O-N 2.9Å; K60-E64 WeakPolarHBondContact O-CB 3.05Å; K60-E64 VanDerWaalsContact O-CG 3.26Å; K60-E64 WeakPolarHBondContact O-CG 3.33Å; K60-E64 PolarHBondContact O-N 2.85Å
61	N	86.9	Confident	83.1	Confident	2 Å²	2	71.1 Å²	71.1	1%	0.011	35%	0.354	C	S	.	.	H	α-helix	trans	-65.6	-44.5	-178.8	-171.7	-106.5	0	0	0	110.4	Y52 F57 F63 E64 Q65 A106 D109	Y52-N61 HydrophobicContact CE1-CB 4.24Å; Y52-N61 PolarHBondContact OH-ND2 3.33Å; Y52-N61 VanDerWaalsContact OH-ND2 3.14Å; F57-N61 HydrophobicContact CD2-CB 4.35Å; F57-N61 HydrophobicContact CE2-CB 3.99Å; F57-N61 HydrophobicContact CZ-CB 4.1Å; F57-N61 WeakPolarHBondContact O-CB 3.43Å; F57-N61 PolarHBondContact O-N 2.75Å; N61-F63 PolarHBondContact O-N 3.38Å; N61-E64 PolarHBondContact O-N 2.97Å; N61-Q65 WeakPolarHBondContact O-CB 3.4Å; N61-Q65 VanDerWaalsContact O-CG 3.28Å; N61-Q65 WeakPolarHBondContact O-CG 3.39Å; N61-Q65 PolarHBondContact O-N 2.99Å; N61-Q65 PolarHBondContact OD1-NE2 3.17Å; N61-A106 WeakPolarHBondContact OD1-CA 3.36Å; N61-A106 WeakPolarHBondContact OD1-CB 3.17Å; N61-D109 WeakPolarHBondContact ND2-CB 3.41Å; N61-D109 PolarHBondContact ND2-OD2 2.84Å
62	L	85.8	Confident	83.4	Confident	53 Å²	53	70 Å²	70	28%	0.277	36%	0.355	S	S	.	.	H	α-helix	trans	-59.7	-44.6	171.4	-72.1	175.1	0	0	0	112.1	L58 E64 Q65 F66	L58-L62 HydrophobicContact CD1-CD1 3.77Å; L58-L62 HydrophobicContact CD1-CG 4.1Å; L58-L62 HydrophobicContact CG-CD1 3.92Å; L58-L62 VanDerWaalsContact O-CB 3.27Å; L58-L62 WeakPolarHBondContact O-CB 2.99Å; L58-L62 VanDerWaalsContact O-CG 3.26Å; L58-L62 WeakPolarHBondContact O-CG 3.38Å; L58-L62 PolarHBondContact O-N 3.19Å; L62-E64 VanDerWaalsContact C-N 3.32Å; L62-E64 PolarHBondContact O-N 3.18Å; L62-Q65 PolarHBondContact O-N 3.14Å; L62-F66 HydrophobicContact CB-CD2 4.29Å; L62-F66 HydrophobicContact CB-CE2 4.11Å; L62-F66 HydrophobicContact CD2-CE2 4.33Å; L62-F66 WeakPolarHBondContact O-CB 3.48Å; L62-F66 WeakPolarHBondContact O-CD2 3.36Å; L62-F66 WeakPolarHBondContact O-CG 3.35Å; L62-F66 PolarHBondContact O-N 2.93Å
63	F	85.3	Confident	83.6	Confident	148 Å²	148	71.1 Å²	71.1	65%	0.649	36%	0.359	S	S	*	.	H	α-helix	trans	-59.3	-41.4	176.4	179	-95.7	0	0	0	112.7	P59 K60 N61 F66 H67	P59-F63 VanDerWaalsContact O-CB 3.25Å; P59-F63 WeakPolarHBondContact O-CB 3.44Å; P59-F63 PolarHBondContact O-N 3.15Å; K60-F63 PolarHBondContact O-N 2.9Å; N61-F63 PolarHBondContact O-N 3.38Å; F63-F66 PolarHBondContact O-N 2.62Å; F63-H67 PolarHBondContact O-N 2.77Å; F63-H67 VanDerWaalsContact O-N 3.1Å
64	E	79.4	Confident	83.5	Confident	67 Å²	67	68.2 Å²	68.2	31%	0.313	34%	0.341	S	S	.	.	H	α-helix	trans	-71.8	-36.2	177.5	-69.6	171.4	154.4	0	0	112.3	K51 Y52 K60 N61 L62 H67	K51-E64 WeakPolarHBondContact CE-OE1 3.28Å; K51-E64 WeakPolarHBondContact CE-OE2 3.28Å; K51-E64 IonicContact NZ-OE1 3.23Å; K51-E64 PolarHBondContact NZ-OE1 3Å; K51-E64 IonicContact NZ-OE2 2.72Å; K51-E64 PolarHBondContact NZ-OE2 3.11Å; Y52-E64 WeakPolarHBondContact CE1-OE2 3.47Å; Y52-E64 PolarHBondContact OH-OE2 3.41Å; K60-E64 WeakPolarHBondContact O-CB 3.05Å; K60-E64 VanDerWaalsContact O-CG 3.26Å; K60-E64 WeakPolarHBondContact O-CG 3.33Å; K60-E64 PolarHBondContact O-N 2.85Å; N61-E64 PolarHBondContact O-N 2.97Å; L62-E64 VanDerWaalsContact C-N 3.32Å; L62-E64 PolarHBondContact O-N 3.18Å; E64-H67 WeakPolarHBondContact O-CB 3.47Å; E64-H67 PolarHBondContact O-N 3.2Å
65	Q	81.6	Confident	83.7	Confident	4 Å²	4	63.3 Å²	63.3	2%	0.019	31%	0.311	C	S	.	.	H	α-helix	trans	-65.8	-37.6	170.9	-72.5	-162.7	53.9	0	0	111.8	N61 L62 H67 R68 N71 L102 T105	N61-Q65 WeakPolarHBondContact O-CB 3.4Å; N61-Q65 VanDerWaalsContact O-CG 3.28Å; N61-Q65 WeakPolarHBondContact O-CG 3.39Å; N61-Q65 PolarHBondContact O-N 2.99Å; N61-Q65 PolarHBondContact OD1-NE2 3.17Å; L62-Q65 PolarHBondContact O-N 3.14Å; Q65-H67 VanDerWaalsContact C-N 3.25Å; Q65-H67 PolarHBondContact O-N 3.31Å; Q65-R68 VanDerWaalsContact O-CB 3.31Å; Q65-R68 WeakPolarHBondContact O-CB 3.36Å; Q65-R68 PolarHBondContact O-N 3.13Å; Q65-R68 VanDerWaalsContact O-N 3.07Å; Q65-N71 PolarHBondContact O-ND2 2.92Å; Q65-L102 HydrophobicContact CB-CD2 4.28Å; Q65-L102 PolarHBondContact NE2-O 3.3Å; Q65-T105 HydrophobicContact CG-CG2 3.87Å
66	F	82.8	Confident	83.8	Confident	74 Å²	74	60.8 Å²	60.8	33%	0.325	29%	0.294	S	S	.	.	H	α-helix	trans	-74.8	-10.2	174.2	-70.4	-52	0	0	0	113.9	L62 F63 R68 N71 V72 V75 L102	L62-F66 HydrophobicContact CB-CD2 4.29Å; L62-F66 HydrophobicContact CB-CE2 4.11Å; L62-F66 HydrophobicContact CD2-CE2 4.33Å; L62-F66 WeakPolarHBondContact O-CB 3.48Å; L62-F66 WeakPolarHBondContact O-CD2 3.36Å; L62-F66 WeakPolarHBondContact O-CG 3.35Å; L62-F66 PolarHBondContact O-N 2.93Å; F63-F66 PolarHBondContact O-N 2.62Å; F66-R68 PolarHBondContact O-N 3.18Å; F66-N71 HydrophobicContact CD1-CB 4.18Å; F66-V72 HydrophobicContact CB-CG2 4.34Å; F66-V72 HydrophobicContact CD1-CG2 4.35Å; F66-V72 WeakPolarHBondContact O-CG2 3.4Å; F66-V75 HydrophobicContact CE1-CB 4.31Å; F66-V75 HydrophobicContact CE1-CG2 3.7Å; F66-V75 HydrophobicContact CZ-CG2 4.1Å; F66-L102 HydrophobicContact CZ-CD1 4.31Å
67	H	77.5	Confident	83.8	Confident	112 Å²	112	59.5 Å²	59.5	52%	0.519	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-10.5	164.8	-156.4	-35.8	0	0	0	112.2	F63 E64 Q65	F63-H67 PolarHBondContact O-N 2.77Å; F63-H67 VanDerWaalsContact O-N 3.1Å; E64-H67 WeakPolarHBondContact O-CB 3.47Å; E64-H67 PolarHBondContact O-N 3.2Å; Q65-H67 VanDerWaalsContact C-N 3.25Å; Q65-H67 PolarHBondContact O-N 3.31Å
68	R	75.4	Confident	83.7	Confident	51 Å²	51	58.5 Å²	58.5	19%	0.192	28%	0.282	C	S	.	.	S	Bend	trans	-85	112.7	166.1	-60.2	179.1	166.5	-168.3	-7.9	108.8	Q65 F66 A70 N71 Y280 E365	Q65-R68 VanDerWaalsContact O-CB 3.31Å; Q65-R68 WeakPolarHBondContact O-CB 3.36Å; Q65-R68 PolarHBondContact O-N 3.13Å; Q65-R68 VanDerWaalsContact O-N 3.07Å; F66-R68 PolarHBondContact O-N 3.18Å; R68-A70 PolarHBondContact O-N 2.65Å; R68-A70 VanDerWaalsContact O-N 3.13Å; R68-N71 WeakPolarHBondContact O-CB 3.25Å; R68-N71 PolarHBondContact O-N 3.28Å; R68-Y280 PolarHBondContact NH2-OH 2.7Å; R68-E365 IonicContact CZ-OE1 3.59Å; R68-E365 VanDerWaalsContact CZ-OE1 3.3Å; R68-E365 IonicContact NH1-OE1 3.25Å; R68-E365 PolarHBondContact NH1-OE1 2.79Å; R68-E365 IonicContact NH2-OE1 2.7Å; R68-E365 PolarHBondContact NH2-OE1 2.79Å
69	F	75.8	Confident	83.7	Confident	156 Å²	156	58.6 Å²	58.6	68%	0.684	28%	0.282	S	S	*	.	H	α-helix	trans	-54.4	-35.6	-174.5	-73.5	-75.1	0	0	0	114	N71 V72 Y73	F69-N71 VanDerWaalsContact C-N 3.32Å; F69-N71 PolarHBondContact O-N 3.22Å; F69-V72 WeakPolarHBondContact O-CB 3.41Å; F69-V72 PolarHBondContact O-N 2.77Å; F69-V72 VanDerWaalsContact O-N 3.15Å; F69-Y73 PolarHBondContact O-N 3.07Å
70	A	76.6	Confident	83.6	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.3	-37.6	176.8	0	0	0	0	0	113.3	R68 V72 Y73 F74 F361	R68-A70 PolarHBondContact O-N 2.65Å; R68-A70 VanDerWaalsContact O-N 3.13Å; A70-V72 VanDerWaalsContact C-N 3.29Å; A70-V72 PolarHBondContact O-N 2.96Å; A70-Y73 PolarHBondContact O-N 2.75Å; A70-F74 HydrophobicContact CB-CE2 4.03Å; A70-F74 WeakPolarHBondContact O-CD2 3.17Å; A70-F74 WeakPolarHBondContact O-CG 3.21Å; A70-F74 PolarHBondContact O-N 2.64Å; A70-F361 HydrophobicContact CB-CD2 4.41Å; A70-F361 HydrophobicContact CB-CE1 3.75Å; A70-F361 HydrophobicContact CB-CE2 3.61Å; A70-F361 HydrophobicContact CB-CZ 3.23Å
71	N	82.1	Confident	83.8	Confident	6 Å²	6	51 Å²	51	3%	0.032	24%	0.242	C	C	.	.	H	α-helix	trans	-67.4	-32.2	177.3	-70.7	-14.2	0	0	0	111.9	Q65 F66 R68 F69 V75 L102	Q65-N71 PolarHBondContact O-ND2 2.92Å; F66-N71 HydrophobicContact CD1-CB 4.18Å; R68-N71 WeakPolarHBondContact O-CB 3.25Å; R68-N71 PolarHBondContact O-N 3.28Å; F69-N71 VanDerWaalsContact C-N 3.32Å; F69-N71 PolarHBondContact O-N 3.22Å; N71-V75 PolarHBondContact O-N 3.45Å; N71-V75 VanDerWaalsContact O-N 3.17Å; N71-L102 HydrophobicContact CB-CD2 4.49Å
72	V	85.1	Confident	83.8	Confident	71 Å²	71	55.7 Å²	55.7	43%	0.43	26%	0.262	S	S	.	.	H	α-helix	trans	-69	-43.4	172.9	-176.1	0	0	0	0	110.5	F66 F69 A70 F76	F66-V72 HydrophobicContact CB-CG2 4.34Å; F66-V72 HydrophobicContact CD1-CG2 4.35Å; F66-V72 WeakPolarHBondContact O-CG2 3.4Å; F69-V72 WeakPolarHBondContact O-CB 3.41Å; F69-V72 PolarHBondContact O-N 2.77Å; F69-V72 VanDerWaalsContact O-N 3.15Å; A70-V72 VanDerWaalsContact C-N 3.29Å; A70-V72 PolarHBondContact O-N 2.96Å; V72-F76 WeakPolarHBondContact O-CB 3.41Å; V72-F76 PolarHBondContact O-N 3Å
73	Y	84.8	Confident	83.8	Confident	34 Å²	34	56.4 Å²	56.4	13%	0.133	27%	0.268	C	S	.	.	H	α-helix	trans	-59.7	-49.9	175.2	169.5	-98.4	0	0	0	112	F69 A70 V75 F76 I77 L300 I356	F69-Y73 PolarHBondContact O-N 3.07Å; A70-Y73 PolarHBondContact O-N 2.75Å; Y73-V75 PolarHBondContact O-N 3.37Å; Y73-F76 WeakPolarHBondContact O-CB 3.36Å; Y73-F76 PolarHBondContact O-N 3.14Å; Y73-F76 VanDerWaalsContact O-N 3.13Å; Y73-I77 HydrophobicContact CD2-CG1 4.21Å; Y73-I77 HydrophobicContact CE1-CG1 4.02Å; Y73-I77 HydrophobicContact CE2-CD1 3.77Å; Y73-I77 HydrophobicContact CE2-CG1 3.7Å; Y73-I77 WeakPolarHBondContact O-CG1 3.39Å; Y73-I77 PolarHBondContact O-N 2.92Å; Y73-L300 HydrophobicContact CE2-CD2 3.95Å; Y73-L300 VanDerWaalsContact OH-CD2 3.27Å; Y73-L300 WeakPolarHBondContact OH-CD2 3.35Å; Y73-I356 HydrophobicContact CD1-CB 4.44Å; Y73-I356 HydrophobicContact CD1-CD1 4.14Å; Y73-I356 HydrophobicContact CD1-CG2 4.15Å; Y73-I356 HydrophobicContact CD2-CD1 4.45Å; Y73-I356 HydrophobicContact CE1-CB 3.8Å; Y73-I356 HydrophobicContact CE1-CD1 3.72Å; Y73-I356 HydrophobicContact CE1-CG1 4.3Å; Y73-I356 HydrophobicContact CE1-CG2 4Å; Y73-I356 HydrophobicContact CE2-CD1 4.05Å; Y73-I356 HydrophobicContact CG-CD1 4.5Å
74	F	85	Confident	83.6	Confident	7 Å²	7	54.6 Å²	54.6	3%	0.031	27%	0.272	C	S	.	.	H	α-helix	trans	-64.8	-37.7	-179	-60.9	-45.8	0	0	0	113.1	A70 A78 V98 I356 I358 F361	A70-F74 HydrophobicContact CB-CE2 4.03Å; A70-F74 WeakPolarHBondContact O-CD2 3.17Å; A70-F74 WeakPolarHBondContact O-CG 3.21Å; A70-F74 PolarHBondContact O-N 2.64Å; F74-A78 WeakPolarHBondContact O-CB 3.19Å; F74-A78 PolarHBondContact O-N 2.98Å; F74-V98 HydrophobicContact CB-CG1 4.24Å; F74-V98 HydrophobicContact CB-CG2 3.96Å; F74-I356 HydrophobicContact CE1-CB 4.39Å; F74-I356 HydrophobicContact CE1-CG2 3.74Å; F74-I356 WeakPolarHBondContact CE1-O 3.44Å; F74-I356 HydrophobicContact CZ-CG2 3.77Å; F74-I358 HydrophobicContact CD1-CD1 4.2Å; F74-I358 HydrophobicContact CD1-CG1 3.55Å; F74-I358 HydrophobicContact CD2-CG1 4.42Å; F74-I358 HydrophobicContact CE1-CB 4.35Å; F74-I358 HydrophobicContact CE1-CD1 4.41Å; F74-I358 HydrophobicContact CE1-CG1 3.37Å; F74-I358 HydrophobicContact CE2-CG1 4.27Å; F74-I358 HydrophobicContact CG-CG1 4.11Å; F74-I358 HydrophobicContact CZ-CB 4.28Å; F74-I358 HydrophobicContact CZ-CG1 3.76Å; F74-F361 HydrophobicContact CE2-CD2 4.07Å; F74-F361 HydrophobicContact CE2-CE2 4.15Å; F74-F361 HydrophobicContact CZ-CD2 4.38Å; F74-F361 HydrophobicContact CZ-CE2 4.24Å
75	V	87.6	Confident	83.6	Confident	40 Å²	40	55.7 Å²	55.7	24%	0.242	28%	0.283	C	S	.	.	H	α-helix	trans	-68.2	-36.6	172.5	167.3	0	0	0	0	111.8	F66 N71 Y73 A78 L79 V98	F66-V75 HydrophobicContact CE1-CB 4.31Å; F66-V75 HydrophobicContact CE1-CG2 3.7Å; F66-V75 HydrophobicContact CZ-CG2 4.1Å; N71-V75 PolarHBondContact O-N 3.45Å; N71-V75 VanDerWaalsContact O-N 3.17Å; Y73-V75 PolarHBondContact O-N 3.37Å; V75-A78 PolarHBondContact O-N 2.91Å; V75-L79 HydrophobicContact CG1-CD1 3.74Å; V75-L79 HydrophobicContact CG1-CG 4.18Å; V75-L79 WeakPolarHBondContact O-CB 3.41Å; V75-L79 VanDerWaalsContact O-CG 3.24Å; V75-L79 WeakPolarHBondContact O-CG 3.42Å; V75-L79 PolarHBondContact O-N 3.06Å; V75-V98 HydrophobicContact CG2-CG1 3.75Å
76	F	88.1	Confident	83.7	Confident	107 Å²	107	55.7 Å²	55.7	47%	0.469	28%	0.283	S	S	.	.	H	α-helix	trans	-61.1	-46.9	174	171.5	-97.8	0	0	0	112.1	V72 Y73 L79 L80	V72-F76 WeakPolarHBondContact O-CB 3.41Å; V72-F76 PolarHBondContact O-N 3Å; Y73-F76 WeakPolarHBondContact O-CB 3.36Å; Y73-F76 PolarHBondContact O-N 3.14Å; Y73-F76 VanDerWaalsContact O-N 3.13Å; F76-L79 PolarHBondContact O-N 3.2Å; F76-L80 HydrophobicContact CE1-CD2 4.35Å; F76-L80 HydrophobicContact CZ-CD2 4.45Å; F76-L80 WeakPolarHBondContact O-CB 3.36Å; F76-L80 PolarHBondContact O-N 2.83Å
77	I	87.6	Confident	83.7	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-64.5	-43.3	177.5	-59.6	-65.1	0	0	0	111.3	Y73 L79 L80 N81 I349 I350 Q353	Y73-I77 HydrophobicContact CD2-CG1 4.21Å; Y73-I77 HydrophobicContact CE1-CG1 4.02Å; Y73-I77 HydrophobicContact CE2-CD1 3.77Å; Y73-I77 HydrophobicContact CE2-CG1 3.7Å; Y73-I77 WeakPolarHBondContact O-CG1 3.39Å; Y73-I77 PolarHBondContact O-N 2.92Å; I77-L79 PolarHBondContact O-N 3.39Å; I77-L80 PolarHBondContact O-N 2.95Å; I77-N81 PolarHBondContact O-N 3.3Å; I77-I349 HydrophobicContact CD1-CG2 3.36Å; I77-I350 HydrophobicContact CG2-CG1 4.43Å; I77-Q353 HydrophobicContact CG2-CB 3.96Å; I77-Q353 VanDerWaalsContact CG2-OE1 3.26Å
78	A	87	Confident	83.8	Confident	7 Å²	7	52.1 Å²	52.1	6%	0.058	28%	0.276	C	S	.	.	H	α-helix	trans	-59.8	-46.5	176.5	0	0	0	0	0	111.6	F74 V75 N81 F82	F74-A78 WeakPolarHBondContact O-CB 3.19Å; F74-A78 PolarHBondContact O-N 2.98Å; V75-A78 PolarHBondContact O-N 2.91Å; A78-N81 PolarHBondContact O-N 3.11Å; A78-F82 VanDerWaalsContact O-CD2 3.28Å; A78-F82 WeakPolarHBondContact O-CD2 3.33Å; A78-F82 PolarHBondContact O-N 3.07Å
79	L	88.6	Confident	84.1	Confident	110 Å²	110	54.3 Å²	54.3	58%	0.576	29%	0.287	S	S	*	.	H	α-helix	trans	-64.4	-37	176.3	-72.7	172	0	0	0	112.9	V75 F76 I77 N81 F82	V75-L79 HydrophobicContact CG1-CD1 3.74Å; V75-L79 HydrophobicContact CG1-CG 4.18Å; V75-L79 WeakPolarHBondContact O-CB 3.41Å; V75-L79 VanDerWaalsContact O-CG 3.24Å; V75-L79 WeakPolarHBondContact O-CG 3.42Å; V75-L79 PolarHBondContact O-N 3.06Å; F76-L79 PolarHBondContact O-N 3.2Å; I77-L79 PolarHBondContact O-N 3.39Å; L79-N81 VanDerWaalsContact C-N 3.33Å; L79-F82 WeakPolarHBondContact O-CB 3.49Å; L79-F82 PolarHBondContact O-N 2.97Å
80	L	88.1	Confident	84.5	Confident	21 Å²	21	53.6 Å²	53.6	11%	0.11	29%	0.286	C	S	.	.	H	α-helix	trans	-63.7	-41	176.3	-172.2	62.9	0	0	0	110.9	F76 I77 F82 V83 V86 L346 I349 I350	F76-L80 HydrophobicContact CE1-CD2 4.35Å; F76-L80 HydrophobicContact CZ-CD2 4.45Å; F76-L80 WeakPolarHBondContact O-CB 3.36Å; F76-L80 PolarHBondContact O-N 2.83Å; I77-L80 PolarHBondContact O-N 2.95Å; L80-F82 VanDerWaalsContact C-N 3.26Å; L80-F82 PolarHBondContact O-N 3.48Å; L80-V83 WeakPolarHBondContact O-CB 3.41Å; L80-V83 PolarHBondContact O-N 3.19Å; L80-V83 VanDerWaalsContact O-N 3.09Å; L80-V86 HydrophobicContact CD1-CG2 4.2Å; L80-V86 HydrophobicContact CG-CG2 4.38Å; L80-L346 HydrophobicContact CD1-CB 4.37Å; L80-L346 HydrophobicContact CD1-CD1 4.37Å; L80-L346 HydrophobicContact CD1-CD2 4.22Å; L80-L346 HydrophobicContact CD2-CB 4.31Å; L80-L346 HydrophobicContact CD2-CD2 4.24Å; L80-I349 HydrophobicContact CD2-CB 4.47Å; L80-I349 HydrophobicContact CD2-CG2 4.01Å; L80-I350 HydrophobicContact CB-CD1 4.42Å; L80-I350 HydrophobicContact CD2-CD1 4.25Å; L80-I350 HydrophobicContact CD2-CG1 4.06Å; L80-I350 HydrophobicContact CG-CD1 3.99Å; L80-I350 HydrophobicContact CG-CG1 4.25Å
81	N	87.8	Confident	84.8	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-72.6	-13.4	178	-170.6	69.8	0	0	0	113.9	I77 A78 L79 V83 N87 A88 F89 I350	I77-N81 PolarHBondContact O-N 3.3Å; A78-N81 PolarHBondContact O-N 3.11Å; L79-N81 VanDerWaalsContact C-N 3.33Å; N81-V83 VanDerWaalsContact C-N 3.27Å; N81-N87 PolarHBondContact OD1-OD1 3.04Å; N81-A88 PolarHBondContact OD1-N 3.45Å; N81-F89 PolarHBondContact ND2-O 3.17Å; N81-F89 PolarHBondContact OD1-N 2.92Å; N81-F89 PolarHBondContact OD1-O 3.38Å; N81-I350 HydrophobicContact CB-CD1 3.86Å; N81-I350 HydrophobicContact CB-CG1 4.25Å; N81-I350 HydrophobicContact CB-CG2 4.14Å
82	F	87.3	Confident	84.9	Confident	100 Å²	100	62.3 Å²	62.3	44%	0.439	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-12.6	167.3	-89.6	-78.4	0	0	0	113.6	A78 L79 L80 P84 P91 L95	A78-F82 VanDerWaalsContact O-CD2 3.28Å; A78-F82 WeakPolarHBondContact O-CD2 3.33Å; A78-F82 PolarHBondContact O-N 3.07Å; L79-F82 WeakPolarHBondContact O-CB 3.49Å; L79-F82 PolarHBondContact O-N 2.97Å; L80-F82 VanDerWaalsContact C-N 3.26Å; L80-F82 PolarHBondContact O-N 3.48Å; F82-P84 WeakPolarHBondContact O-CD 3.48Å; F82-P91 HydrophobicContact CD1-CB 3.66Å; F82-P91 HydrophobicContact CD1-CG 4.33Å; F82-P91 HydrophobicContact CD2-CB 4.26Å; F82-P91 HydrophobicContact CE1-CB 3.55Å; F82-P91 HydrophobicContact CE2-CB 4.15Å; F82-P91 HydrophobicContact CG-CB 4.02Å; F82-P91 HydrophobicContact CZ-CB 3.79Å; F82-L95 HydrophobicContact CE2-CB 4.34Å; F82-L95 HydrophobicContact CE2-CD2 4.16Å; F82-L95 HydrophobicContact CZ-CD2 4.15Å
83	V	87.4	Confident	84.9	Confident	68 Å²	68	64.5 Å²	64.5	41%	0.412	34%	0.338	S	S	.	.	S	Bend	trans	-80	113.4	176.8	-180	0	0	0	0	108.9	L80 N81 V85 V86 N87	L80-V83 WeakPolarHBondContact O-CB 3.41Å; L80-V83 PolarHBondContact O-N 3.19Å; L80-V83 VanDerWaalsContact O-N 3.09Å; N81-V83 VanDerWaalsContact C-N 3.27Å; V83-V85 PolarHBondContact O-N 2.84Å; V83-V86 HydrophobicContact CB-CG2 3.82Å; V83-V86 HydrophobicContact CG1-CG2 4.05Å; V83-V86 PolarHBondContact O-N 3.33Å; V83-V86 VanDerWaalsContact O-N 3.12Å; V83-N87 PolarHBondContact O-N 3.5Å
84	P	80.8	Confident	84.7	Confident	111 Å²	111	63.6 Å²	63.6	72%	0.721	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-58.8	-27.6	-168.5	-27.3	36	0	0	0	114.9	F82 V86	F82-P84 WeakPolarHBondContact O-CD 3.48Å; P84-V86 VanDerWaalsContact C-N 3.34Å
85	V	79.1	Confident	84.8	Confident	90 Å²	90	66.4 Å²	66.4	55%	0.545	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-78.6	-16.1	-174.2	-164.4	0	0	0	0	113.2	V83 Y343	V83-V85 PolarHBondContact O-N 2.84Å; V85-Y343 HydrophobicContact CG1-CD2 3.46Å; V85-Y343 VanDerWaalsContact CG1-CD2 3.46Å; V85-Y343 HydrophobicContact CG1-CE1 4.44Å; V85-Y343 HydrophobicContact CG1-CE2 3.25Å; V85-Y343 HydrophobicContact CG1-CG 4.17Å
86	V	83	Confident	84.7	Confident	4 Å²	4	67.2 Å²	67.2	2%	0.024	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-126.8	15.2	178.1	-62.4	0	0	0	0	112.4	L80 V83 P84 A88 Y343 L346 I350	L80-V86 HydrophobicContact CD1-CG2 4.2Å; L80-V86 HydrophobicContact CG-CG2 4.38Å; V83-V86 HydrophobicContact CB-CG2 3.82Å; V83-V86 HydrophobicContact CG1-CG2 4.05Å; V83-V86 PolarHBondContact O-N 3.33Å; V83-V86 VanDerWaalsContact O-N 3.12Å; P84-V86 VanDerWaalsContact C-N 3.34Å; V86-A88 PolarHBondContact O-N 3.22Å; V86-Y343 HydrophobicContact CG1-CD1 4.07Å; V86-Y343 HydrophobicContact CG1-CG 4.11Å; V86-L346 HydrophobicContact CB-CB 4.19Å; V86-L346 HydrophobicContact CG1-CB 3.91Å; V86-L346 HydrophobicContact CG1-CD1 4.34Å; V86-L346 HydrophobicContact CG2-CB 4.44Å; V86-I350 WeakPolarHBondContact O-CD1 3.23Å
87	N	82.5	Confident	84.5	Confident	73 Å²	73	64.6 Å²	64.6	39%	0.39	36%	0.357	S	S	.	.			trans	-67.2	124.1	-178.8	176.3	7.2	0	0	0	111.3	N81 V83 F89	N81-N87 PolarHBondContact OD1-OD1 3.04Å; V83-N87 PolarHBondContact O-N 3.5Å; N87-F89 PolarHBondContact OD1-N 2.81Å; N87-F89 PolarHBondContact OD1-O 3.09Å
88	A	80.3	Confident	84.4	Confident	37 Å²	37	64.9 Å²	64.9	31%	0.306	36%	0.359	S	S	.	.			trans	-113.1	-23.1	179.6	0	0	0	0	0	113.8	N81 V86 T347 I350 V351	N81-A88 PolarHBondContact OD1-N 3.45Å; V86-A88 PolarHBondContact O-N 3.22Å; A88-T347 HydrophobicContact CB-CG2 4.09Å; A88-I350 HydrophobicContact CB-CB 4.29Å; A88-I350 HydrophobicContact CB-CG2 3.9Å; A88-V351 HydrophobicContact CB-CG2 4.07Å
89	F	81.2	Confident	84.5	Confident	97 Å²	97	67.9 Å²	67.9	43%	0.425	38%	0.376	S	S	.	.	S	Bend	trans	-142.9	151.8	-178.1	-57.6	-75.3	0	0	0	109.5	N81 N87 P91 I350	N81-F89 PolarHBondContact ND2-O 3.17Å; N81-F89 PolarHBondContact OD1-N 2.92Å; N81-F89 PolarHBondContact OD1-O 3.38Å; N87-F89 PolarHBondContact OD1-N 2.81Å; N87-F89 PolarHBondContact OD1-O 3.09Å; F89-P91 WeakPolarHBondContact O-CD 3.5Å; F89-P91 VanDerWaalsContact O-N 3.12Å; F89-I350 HydrophobicContact CD2-CG2 3.8Å; F89-I350 HydrophobicContact CE2-CG2 4.08Å
90	Q	85.4	Confident	84.4	Confident	141 Å²	141	68.8 Å²	68.8	66%	0.659	38%	0.376	S	S	*	.			trans	-54.3	123	179.1	-69.2	-171	-39.9	0	0	111.6	E92 L93 A94	Q90-E92 PolarHBondContact O-N 3Å; Q90-E92 VanDerWaalsContact O-N 3.09Å; Q90-L93 HydrophobicContact CB-CD1 4.25Å; Q90-L93 HydrophobicContact CB-CG 4.46Å; Q90-L93 WeakPolarHBondContact O-CB 3.37Å; Q90-L93 PolarHBondContact O-N 3.36Å; Q90-A94 PolarHBondContact O-N 3.36Å
91	P	81.9	Confident	84.1	Confident	30 Å²	30	68.1 Å²	68.1	20%	0.195	37%	0.373	C	S	.	.	H	α-helix	trans	-57.6	-31.2	-169.2	-29.5	35.6	0	0	0	115.1	F82 F89 L93 A94 L95	F82-P91 HydrophobicContact CD1-CB 3.66Å; F82-P91 HydrophobicContact CD1-CG 4.33Å; F82-P91 HydrophobicContact CD2-CB 4.26Å; F82-P91 HydrophobicContact CE1-CB 3.55Å; F82-P91 HydrophobicContact CE2-CB 4.15Å; F82-P91 HydrophobicContact CG-CB 4.02Å; F82-P91 HydrophobicContact CZ-CB 3.79Å; F89-P91 WeakPolarHBondContact O-CD 3.5Å; F89-P91 VanDerWaalsContact O-N 3.12Å; P91-L93 VanDerWaalsContact C-N 3.35Å; P91-L93 PolarHBondContact O-N 3.18Å; P91-A94 PolarHBondContact O-N 2.71Å; P91-L95 PolarHBondContact O-N 2.93Å
92	E	83.8	Confident	84	Confident	159 Å²	159	69.3 Å²	69.3	74%	0.743	38%	0.379	S	S	*	.	H	α-helix	trans	-60	-42	175.7	-60.6	177.3	-171.6	0	0	112.3	Q90 L95 A96	Q90-E92 PolarHBondContact O-N 3Å; Q90-E92 VanDerWaalsContact O-N 3.09Å; E92-L95 PolarHBondContact O-N 3.3Å; E92-A96 PolarHBondContact O-N 3.34Å
93	L	84.7	Confident	84	Confident	118 Å²	118	67.1 Å²	67.1	62%	0.618	38%	0.376	S	S	*	.	H	α-helix	trans	-70.7	-32.3	177.7	-66.7	174.7	0	0	0	112.3	Q90 P91 P97	Q90-L93 HydrophobicContact CB-CD1 4.25Å; Q90-L93 HydrophobicContact CB-CG 4.46Å; Q90-L93 WeakPolarHBondContact O-CB 3.37Å; Q90-L93 PolarHBondContact O-N 3.36Å; P91-L93 VanDerWaalsContact C-N 3.35Å; P91-L93 PolarHBondContact O-N 3.18Å; L93-P97 WeakPolarHBondContact O-CD 3.37Å
94	A	82.1	Confident	83.8	Confident	14 Å²	14	66.5 Å²	66.5	12%	0.116	37%	0.372	C	S	.	.	H	α-helix	trans	-71.5	-34.3	176.2	0	0	0	0	0	112.3	Q90 P91	Q90-A94 PolarHBondContact O-N 3.36Å; P91-A94 PolarHBondContact O-N 2.71Å
95	L	86.3	Confident	83.7	Confident	66 Å²	66	61.9 Å²	61.9	35%	0.346	34%	0.342	S	S	.	.	H	α-helix	trans	-78	-34.7	-179.2	-176.3	59.9	0	0	0	113.1	F82 P91 E92 V98 V99	F82-L95 HydrophobicContact CE2-CB 4.34Å; F82-L95 HydrophobicContact CE2-CD2 4.16Å; F82-L95 HydrophobicContact CZ-CD2 4.15Å; P91-L95 PolarHBondContact O-N 2.93Å; E92-L95 PolarHBondContact O-N 3.3Å; L95-V98 PolarHBondContact O-N 2.87Å; L95-V98 VanDerWaalsContact O-N 3.13Å; L95-V99 HydrophobicContact CD1-CG2 3.92Å; L95-V99 HydrophobicContact CG-CG2 3.81Å; L95-V99 PolarHBondContact O-N 2.78Å
96	A	86.6	Confident	84.1	Confident	57 Å²	57	58.4 Å²	58.4	47%	0.471	32%	0.323	S	S	.	.	H	α-helix	trans	-57.2	-44.3	-172.3	0	0	0	0	0	115	E92 V98 V99 F100	E92-A96 PolarHBondContact O-N 3.34Å; A96-V98 VanDerWaalsContact C-N 3.34Å; A96-V98 PolarHBondContact O-N 3.37Å; A96-V99 PolarHBondContact O-N 2.97Å; A96-F100 PolarHBondContact O-N 3.15Å
97	P	83.8	Confident	84.2	Confident	53 Å²	53	63.7 Å²	63.7	34%	0.344	35%	0.35	S	S	.	.	H	α-helix	trans	-61.9	-39.8	175.6	-23.7	34.4	0	0	0	112.8	L93 F100 I101 I358	L93-P97 WeakPolarHBondContact O-CD 3.37Å; P97-F100 WeakPolarHBondContact O-CB 3.15Å; P97-F100 PolarHBondContact O-N 3.36Å; P97-I101 WeakPolarHBondContact O-CG1 3.49Å; P97-I101 PolarHBondContact O-N 2.74Å; P97-I358 HydrophobicContact CB-CD1 4.26Å; P97-I358 HydrophobicContact CB-CG2 3.96Å
98	V	85.1	Confident	84.1	Confident	6 Å²	6	61.9 Å²	61.9	4%	0.036	34%	0.338	C	S	.	.	H	α-helix	trans	-66.4	-46	-179.3	-170	0	0	0	0	110.3	F74 V75 L95 A96 F100 I101 L102	F74-V98 HydrophobicContact CB-CG1 4.24Å; F74-V98 HydrophobicContact CB-CG2 3.96Å; V75-V98 HydrophobicContact CG2-CG1 3.75Å; L95-V98 PolarHBondContact O-N 2.87Å; L95-V98 VanDerWaalsContact O-N 3.13Å; A96-V98 VanDerWaalsContact C-N 3.34Å; A96-V98 PolarHBondContact O-N 3.37Å; V98-F100 VanDerWaalsContact C-N 3.28Å; V98-F100 PolarHBondContact O-N 3.2Å; V98-I101 PolarHBondContact O-N 3.14Å; V98-L102 HydrophobicContact CG1-CD1 4.16Å; V98-L102 WeakPolarHBondContact O-CG 3.42Å; V98-L102 PolarHBondContact O-N 3.15Å
99	V	88.3	Confident	84	Confident	71 Å²	71	61.9 Å²	61.9	43%	0.43	33%	0.333	S	S	.	.	H	α-helix	trans	-59.8	-38.9	174.7	172.1	0	0	0	0	111.3	L95 A96 S103	L95-V99 HydrophobicContact CD1-CG2 3.92Å; L95-V99 HydrophobicContact CG-CG2 3.81Å; L95-V99 PolarHBondContact O-N 2.78Å; A96-V99 PolarHBondContact O-N 2.97Å; V99-S103 WeakPolarHBondContact O-CB 3.31Å; V99-S103 PolarHBondContact O-N 3.41Å; V99-S103 PolarHBondContact O-OG 3.01Å
100	F	86.7	Confident	84.2	Confident	128 Å²	128	61.5 Å²	61.5	56%	0.561	34%	0.335	S	S	*	.	H	α-helix	trans	-62	-48.7	175.6	179.9	-99.8	0	0	0	112.5	A96 P97 V98 L102 S103 V104 V362	A96-F100 PolarHBondContact O-N 3.15Å; P97-F100 WeakPolarHBondContact O-CB 3.15Å; P97-F100 PolarHBondContact O-N 3.36Å; V98-F100 VanDerWaalsContact C-N 3.28Å; V98-F100 PolarHBondContact O-N 3.2Å; F100-L102 PolarHBondContact O-N 2.89Å; F100-S103 PolarHBondContact O-N 3.07Å; F100-V104 HydrophobicContact CD1-CG2 4.33Å; F100-V104 HydrophobicContact CD2-CG2 4.26Å; F100-V104 HydrophobicContact CE1-CG2 3.98Å; F100-V104 HydrophobicContact CE2-CG2 3.89Å; F100-V104 HydrophobicContact CG-CG2 4.47Å; F100-V104 HydrophobicContact CZ-CG2 3.75Å; F100-V104 WeakPolarHBondContact O-CG2 3.44Å; F100-V104 PolarHBondContact O-N 3.13Å; F100-V362 HydrophobicContact CE1-CG1 4.43Å
101	I	82.6	Confident	83.9	Confident	8 Å²	8	59.2 Å²	59.2	4%	0.041	32%	0.32	C	S	.	.	H	α-helix	trans	-58.8	-49	177.1	-60.4	-158.7	0	0	0	111.6	P97 V98 S103 V104 T105 I358 V362	P97-I101 WeakPolarHBondContact O-CG1 3.49Å; P97-I101 PolarHBondContact O-N 2.74Å; V98-I101 PolarHBondContact O-N 3.14Å; I101-S103 VanDerWaalsContact C-N 3.26Å; I101-S103 PolarHBondContact O-N 3.22Å; I101-V104 PolarHBondContact O-N 2.82Å; I101-T105 WeakPolarHBondContact O-CB 3.28Å; I101-T105 PolarHBondContact O-N 3.38Å; I101-T105 PolarHBondContact O-OG1 3.1Å; I101-I358 HydrophobicContact CD1-CG2 3.49Å; I101-I358 VanDerWaalsContact CD1-CG2 3.49Å; I101-I358 VanDerWaalsContact CD1-O 3.24Å; I101-I358 WeakPolarHBondContact CD1-O 3.14Å; I101-I358 HydrophobicContact CG1-CG2 4.19Å; I101-V362 HydrophobicContact CB-CG2 4.26Å; I101-V362 HydrophobicContact CD1-CG2 3.71Å; I101-V362 HydrophobicContact CG1-CG2 3.53Å; I101-V362 HydrophobicContact CG2-CG2 4.27Å
102	L	84.9	Confident	83.6	Confident	25 Å²	25	60.2 Å²	60.2	13%	0.131	32%	0.322	C	S	.	.	H	α-helix	trans	-63.4	-36.9	-177.2	-64.1	176	0	0	0	110.9	Q65 F66 N71 V98 F100 A106	Q65-L102 HydrophobicContact CB-CD2 4.28Å; Q65-L102 PolarHBondContact NE2-O 3.3Å; F66-L102 HydrophobicContact CZ-CD1 4.31Å; N71-L102 HydrophobicContact CB-CD2 4.49Å; V98-L102 HydrophobicContact CG1-CD1 4.16Å; V98-L102 WeakPolarHBondContact O-CG 3.42Å; V98-L102 PolarHBondContact O-N 3.15Å; F100-L102 PolarHBondContact O-N 2.89Å; L102-A106 WeakPolarHBondContact O-CB 3.22Å; L102-A106 PolarHBondContact O-N 2.9Å
103	S	87.4	Confident	83.6	Confident	54 Å²	54	53.4 Å²	53.4	38%	0.378	29%	0.291	S	S	.	.	H	α-helix	trans	-69.7	-47.4	177	-59.3	0	0	0	0	112.8	V99 F100 I101 T105 A106 I107	V99-S103 WeakPolarHBondContact O-CB 3.31Å; V99-S103 PolarHBondContact O-N 3.41Å; V99-S103 PolarHBondContact O-OG 3.01Å; F100-S103 PolarHBondContact O-N 3.07Å; I101-S103 VanDerWaalsContact C-N 3.26Å; I101-S103 PolarHBondContact O-N 3.22Å; S103-T105 VanDerWaalsContact C-N 3.31Å; S103-T105 PolarHBondContact O-N 2.69Å; S103-A106 PolarHBondContact O-N 2.91Å; S103-I107 WeakPolarHBondContact O-CB 3.41Å; S103-I107 WeakPolarHBondContact O-CD1 3.18Å; S103-I107 VanDerWaalsContact O-CG1 3.23Å; S103-I107 WeakPolarHBondContact O-CG1 3.5Å; S103-I107 PolarHBondContact O-N 2.81Å
104	V	83.3	Confident	83.5	Confident	54 Å²	54	54.7 Å²	54.7	33%	0.327	29%	0.289	S	S	.	.	H	α-helix	trans	-61.2	-42.6	177.8	170	0	0	0	0	110.7	F100 I101 I107 K108	F100-V104 HydrophobicContact CD1-CG2 4.33Å; F100-V104 HydrophobicContact CD2-CG2 4.26Å; F100-V104 HydrophobicContact CE1-CG2 3.98Å; F100-V104 HydrophobicContact CE2-CG2 3.89Å; F100-V104 HydrophobicContact CG-CG2 4.47Å; F100-V104 HydrophobicContact CZ-CG2 3.75Å; F100-V104 WeakPolarHBondContact O-CG2 3.44Å; F100-V104 PolarHBondContact O-N 3.13Å; I101-V104 PolarHBondContact O-N 2.82Å; V104-I107 PolarHBondContact O-N 3.43Å; V104-K108 PolarHBondContact O-N 2.82Å
105	T	79.5	Confident	83.2	Confident	14 Å²	14	56.5 Å²	56.5	9%	0.086	29%	0.293	C	S	.	.	H	α-helix	trans	-65.3	-43.7	176.5	-52.2	0	0	0	0	111.4	Q65 I101 S103 I107 K108 D109	Q65-T105 HydrophobicContact CG-CG2 3.87Å; I101-T105 WeakPolarHBondContact O-CB 3.28Å; I101-T105 PolarHBondContact O-N 3.38Å; I101-T105 PolarHBondContact O-OG1 3.1Å; S103-T105 VanDerWaalsContact C-N 3.31Å; S103-T105 PolarHBondContact O-N 2.69Å; T105-I107 PolarHBondContact O-N 2.77Å; T105-K108 WeakPolarHBondContact O-CB 3.45Å; T105-K108 PolarHBondContact O-N 2.81Å; T105-D109 PolarHBondContact O-N 2.71Å
106	A	86.2	Confident	82.9	Confident	18 Å²	18	55.7 Å²	55.7	15%	0.149	29%	0.285	C	S	.	.	H	α-helix	trans	-62.7	-39.4	175.4	0	0	0	0	0	112.3	F57 N61 L102 S103 D109 L110	F57-A106 HydrophobicContact CE1-CB 4.33Å; F57-A106 HydrophobicContact CZ-CB 4.05Å; F57-A106 WeakPolarHBondContact CZ-O 3.44Å; N61-A106 WeakPolarHBondContact OD1-CA 3.36Å; N61-A106 WeakPolarHBondContact OD1-CB 3.17Å; L102-A106 WeakPolarHBondContact O-CB 3.22Å; L102-A106 PolarHBondContact O-N 2.9Å; S103-A106 PolarHBondContact O-N 2.91Å; A106-D109 PolarHBondContact O-N 3.44Å; A106-L110 WeakPolarHBondContact O-CB 3.45Å; A106-L110 PolarHBondContact O-N 2.97Å
107	I	85.6	Confident	82.8	Confident	115 Å²	115	57.8 Å²	57.8	59%	0.59	29%	0.285	S	S	*	.	H	α-helix	trans	-64.6	-43	177	-70.3	162.7	0	0	0	110.9	S103 V104 T105 W111	S103-I107 WeakPolarHBondContact O-CB 3.41Å; S103-I107 WeakPolarHBondContact O-CD1 3.18Å; S103-I107 VanDerWaalsContact O-CG1 3.23Å; S103-I107 WeakPolarHBondContact O-CG1 3.5Å; S103-I107 PolarHBondContact O-N 2.81Å; V104-I107 PolarHBondContact O-N 3.43Å; T105-I107 PolarHBondContact O-N 2.77Å; I107-W111 VanDerWaalsContact O-CB 3.31Å; I107-W111 WeakPolarHBondContact O-CB 3.36Å; I107-W111 PolarHBondContact O-N 2.87Å
108	K	79.6	Confident	82.8	Confident	34 Å²	34	61.1 Å²	61.1	15%	0.148	29%	0.29	C	S	.	.	H	α-helix	trans	-55.7	-53.7	173.1	177.9	-168.5	175.8	-170.3	0	111	V104 T105 W111 E112 E365 N396	V104-K108 PolarHBondContact O-N 2.82Å; T105-K108 WeakPolarHBondContact O-CB 3.45Å; T105-K108 PolarHBondContact O-N 2.81Å; K108-W111 PolarHBondContact O-N 3.03Å; K108-E112 PolarHBondContact O-N 3.27Å; K108-E365 IonicContact NZ-OE1 3.64Å; K108-E365 IonicContact NZ-OE2 3.89Å; K108-E365 PolarHBondContact NZ-OE2 2.98Å; K108-N396 PolarHBondContact NZ-OD1 3.33Å
109	D	79.8	Confident	82.6	Confident	37 Å²	37	61.7 Å²	61.7	20%	0.198	30%	0.295	C	S	.	.	H	α-helix	trans	-69	-36.6	-175.8	-69.7	-19.1	0	0	0	112.6	Y52 N61 T105 A106 E112 D113	Y52-D109 HydrophobicContact CE2-CB 4.37Å; N61-D109 WeakPolarHBondContact ND2-CB 3.41Å; N61-D109 PolarHBondContact ND2-OD2 2.84Å; T105-D109 PolarHBondContact O-N 2.71Å; A106-D109 PolarHBondContact O-N 3.44Å; D109-E112 PolarHBondContact O-N 2.9Å; D109-D113 WeakPolarHBondContact O-CB 3.42Å; D109-D113 PolarHBondContact O-N 2.81Å
110	L	84.8	Confident	82.5	Confident	89 Å²	89	58.5 Å²	58.5	47%	0.466	28%	0.276	S	S	.	.	H	α-helix	trans	-64.8	-41.9	174.9	-179.1	61.7	0	0	0	111.5	F57 A106 D113 Y114	F57-L110 HydrophobicContact CD1-CD1 4.43Å; F57-L110 HydrophobicContact CD2-CD1 4.12Å; F57-L110 HydrophobicContact CE1-CB 4.36Å; F57-L110 HydrophobicContact CE1-CD1 4.43Å; F57-L110 HydrophobicContact CE2-CB 3.84Å; F57-L110 HydrophobicContact CE2-CD1 4.12Å; F57-L110 HydrophobicContact CG-CD1 4.31Å; F57-L110 HydrophobicContact CZ-CB 3.69Å; F57-L110 HydrophobicContact CZ-CD1 4.31Å; F57-L110 HydrophobicContact CZ-CG 4.45Å; A106-L110 WeakPolarHBondContact O-CB 3.45Å; A106-L110 PolarHBondContact O-N 2.97Å; L110-D113 PolarHBondContact O-N 2.82Å; L110-Y114 VanDerWaalsContact O-CB 3.23Å; L110-Y114 WeakPolarHBondContact O-CB 3.29Å; L110-Y114 PolarHBondContact O-N 2.85Å
111	W	79.3	Confident	82.6	Confident	93 Å²	93	58.3 Å²	58.3	35%	0.352	27%	0.274	S	S	.	.	H	α-helix	trans	-68.4	-38.5	177.3	174.5	59.2	0	0	0	111.9	I107 K108 Y114 R115 P585	I107-W111 VanDerWaalsContact O-CB 3.31Å; I107-W111 WeakPolarHBondContact O-CB 3.36Å; I107-W111 PolarHBondContact O-N 2.87Å; K108-W111 PolarHBondContact O-N 3.03Å; W111-Y114 PolarHBondContact O-N 3.37Å; W111-R115 PolarHBondContact O-N 2.59Å; W111-P585 HydrophobicContact CH2-CB 3.58Å; W111-P585 WeakPolarHBondContact CH2-O 3.42Å; W111-P585 HydrophobicContact CZ2-CB 4.39Å; W111-P585 HydrophobicContact CZ3-CB 4.11Å
112	E	75.7	Confident	82.8	Confident	51 Å²	51	61.7 Å²	61.7	24%	0.238	29%	0.29	C	S	.	.	H	α-helix	trans	-64.3	-44.8	173.6	-153.4	-152.2	115.7	0	0	111.7	K108 D109 R115 R116	K108-E112 PolarHBondContact O-N 3.27Å; D109-E112 PolarHBondContact O-N 2.9Å; E112-R115 WeakPolarHBondContact O-CB 3.43Å; E112-R115 PolarHBondContact O-N 3.19Å; E112-R116 WeakPolarHBondContact O-CG 3.14Å; E112-R116 PolarHBondContact O-N 3.35Å; E112-R116 IonicContact OE1-CZ 2.69Å; E112-R116 VanDerWaalsContact OE1-CZ 3.24Å; E112-R116 IonicContact OE1-NE 3.99Å; E112-R116 PolarHBondContact OE1-NE 2.8Å; E112-R116 IonicContact OE1-NH2 3.11Å; E112-R116 PolarHBondContact OE1-NH2 2.86Å
113	D	82.9	Confident	82.8	Confident	16 Å²	16	62.1 Å²	62.1	9%	0.086	29%	0.292	C	S	.	.	H	α-helix	trans	-70.9	-30.3	178.3	-148.4	48.7	0	0	0	112.3	T50 K51 Y52 D109 L110 R116 H117	T50-D113 WeakPolarHBondContact CA-OD1 3.48Å; T50-D113 WeakPolarHBondContact CB-OD2 3.21Å; K51-D113 PolarHBondContact N-OD1 2.85Å; K51-D113 PolarHBondContact N-OD2 2.84Å; Y52-D113 WeakPolarHBondContact CB-OD2 3.2Å; Y52-D113 HydrophobicContact CD2-CB 3.76Å; Y52-D113 WeakPolarHBondContact CD2-OD2 3.33Å; Y52-D113 HydrophobicContact CE2-CB 4.25Å; Y52-D113 PolarHBondContact N-OD2 2.97Å; D109-D113 WeakPolarHBondContact O-CB 3.42Å; D109-D113 PolarHBondContact O-N 2.81Å; L110-D113 PolarHBondContact O-N 2.82Å; D113-R116 WeakPolarHBondContact O-CB 3.43Å; D113-R116 PolarHBondContact O-N 2.96Å; D113-H117 WeakPolarHBondContact O-CB 3.11Å; D113-H117 PolarHBondContact O-N 3.04Å
114	Y	82.9	Confident	83	Confident	146 Å²	146	59.9 Å²	59.9	57%	0.573	28%	0.276	S	S	*	.	H	α-helix	trans	-64.8	-40.2	169.6	177.5	-95.3	0	0	0	111.9	L110 W111 H117 R118	L110-Y114 VanDerWaalsContact O-CB 3.23Å; L110-Y114 WeakPolarHBondContact O-CB 3.29Å; L110-Y114 PolarHBondContact O-N 2.85Å; W111-Y114 PolarHBondContact O-N 3.37Å; Y114-H117 WeakPolarHBondContact O-CB 3.29Å; Y114-H117 PolarHBondContact O-N 3Å; Y114-R118 WeakPolarHBondContact O-CB 3.49Å; Y114-R118 PolarHBondContact O-N 3.07Å
115	R	77	Confident	83.4	Confident	51 Å²	51	60.7 Å²	60.7	19%	0.192	28%	0.276	C	S	.	.	H	α-helix	trans	-63.5	-40.6	173.5	-176.9	-178.8	61.5	161.6	-2.1	111.5	W111 E112 R118 S119	W111-R115 PolarHBondContact O-N 2.59Å; E112-R115 WeakPolarHBondContact O-CB 3.43Å; E112-R115 PolarHBondContact O-N 3.19Å; R115-R118 PolarHBondContact O-N 2.75Å; R115-S119 PolarHBondContact O-N 2.76Å; R115-S119 VanDerWaalsContact O-N 3.08Å
116	R	79.2	Confident	83.8	Confident	50 Å²	50	62.8 Å²	62.8	19%	0.189	29%	0.286	C	S	.	.	H	α-helix	trans	-61.3	-44.6	170.7	-64.6	173.8	-172.8	-148.8	8	111.1	T50 E112 D113 R118 S119 D120	T50-R116 HydrophobicContact CG2-CB 4.15Å; E112-R116 WeakPolarHBondContact O-CG 3.14Å; E112-R116 PolarHBondContact O-N 3.35Å; E112-R116 IonicContact OE1-CZ 2.69Å; E112-R116 VanDerWaalsContact OE1-CZ 3.24Å; E112-R116 IonicContact OE1-NE 3.99Å; E112-R116 PolarHBondContact OE1-NE 2.8Å; E112-R116 IonicContact OE1-NH2 3.11Å; E112-R116 PolarHBondContact OE1-NH2 2.86Å; D113-R116 WeakPolarHBondContact O-CB 3.43Å; D113-R116 PolarHBondContact O-N 2.96Å; R116-R118 VanDerWaalsContact C-N 3.31Å; R116-R118 PolarHBondContact O-N 3.39Å; R116-S119 PolarHBondContact O-N 2.99Å; R116-D120 WeakPolarHBondContact O-CB 3.4Å; R116-D120 PolarHBondContact O-N 2.99Å
117	H	84.3	Confident	84.1	Confident	101 Å²	101	66 Å²	66	47%	0.468	30%	0.3	S	S	.	.	H	α-helix	trans	-61.6	-38.4	178	-174	57.8	0	0	0	112.5	T50 D113 Y114 K121	T50-H117 HydrophobicContact CG2-CB 3.51Å; D113-H117 WeakPolarHBondContact O-CB 3.11Å; D113-H117 PolarHBondContact O-N 3.04Å; Y114-H117 WeakPolarHBondContact O-CB 3.29Å; Y114-H117 PolarHBondContact O-N 3Å; H117-K121 VanDerWaalsContact O-CB 3.29Å; H117-K121 WeakPolarHBondContact O-CB 3.24Å; H117-K121 PolarHBondContact O-N 2.78Å
118	R	84.8	Confident	84.4	Confident	122 Å²	122	60.7 Å²	60.7	46%	0.46	27%	0.273	S	S	.	.	H	α-helix	trans	-64.4	-49.2	175.3	179.5	175	175.4	137	15.3	111.4	Y114 R115 R116 K121 E122	Y114-R118 WeakPolarHBondContact O-CB 3.49Å; Y114-R118 PolarHBondContact O-N 3.07Å; R115-R118 PolarHBondContact O-N 2.75Å; R116-R118 VanDerWaalsContact C-N 3.31Å; R116-R118 PolarHBondContact O-N 3.39Å; R118-K121 WeakPolarHBondContact O-CB 3.29Å; R118-K121 PolarHBondContact O-N 3.28Å; R118-K121 VanDerWaalsContact O-N 3.1Å; R118-E122 WeakPolarHBondContact CG-OE1 3.38Å; R118-E122 IonicContact CZ-OE1 2.68Å; R118-E122 VanDerWaalsContact CZ-OE1 3.31Å; R118-E122 IonicContact NE-OE1 2.88Å; R118-E122 PolarHBondContact NE-OE1 2.93Å; R118-E122 IonicContact NE-OE2 3.78Å; R118-E122 IonicContact NH2-OE1 3.2Å; R118-E122 PolarHBondContact NH2-OE1 3.28Å; R118-E122 WeakPolarHBondContact O-CG 3.41Å; R118-E122 PolarHBondContact O-N 2.91Å
119	S	79.5	Confident	85.1	Confident	19 Å²	19	59.8 Å²	59.8	13%	0.133	27%	0.27	C	S	.	.	H	α-helix	trans	-62.5	-44.5	176.3	-179.2	0	0	0	0	112	R115 R116 K121 E122 I123	R115-S119 PolarHBondContact O-N 2.76Å; R115-S119 VanDerWaalsContact O-N 3.08Å; R116-S119 PolarHBondContact O-N 2.99Å; S119-K121 VanDerWaalsContact C-N 3.29Å; S119-K121 PolarHBondContact O-N 2.82Å; S119-E122 PolarHBondContact O-N 3.32Å; S119-I123 WeakPolarHBondContact O-CB 3.21Å; S119-I123 WeakPolarHBondContact O-CG1 3.49Å; S119-I123 PolarHBondContact O-N 3.35Å
120	D	85.9	Confident	85.8	Confident	4 Å²	4	58 Å²	58	2%	0.021	26%	0.261	C	S	.	.	H	α-helix	trans	-54.5	-45.5	170	-79	-14.9	0	0	0	110.6	K48 T49 T50 R116 N124	K48-D120 WeakPolarHBondContact CA-OD2 3.31Å; T49-D120 WeakPolarHBondContact CB-OD1 3.46Å; T49-D120 WeakPolarHBondContact CG2-OD1 3.4Å; T49-D120 VanDerWaalsContact N-CG 3.28Å; T49-D120 PolarHBondContact N-OD1 3.44Å; T49-D120 PolarHBondContact N-OD2 3.31Å; T49-D120 PolarHBondContact OG1-OD1 2.81Å; T49-D120 PolarHBondContact OG1-OD2 2.9Å; T50-D120 PolarHBondContact N-OD2 2.87Å; R116-D120 WeakPolarHBondContact O-CB 3.4Å; R116-D120 PolarHBondContact O-N 2.99Å; D120-N124 WeakPolarHBondContact O-CB 3.24Å; D120-N124 PolarHBondContact O-N 2.91Å; D120-N124 PolarHBondContact O-ND2 3.36Å
121	K	88.7	Confident	86.1	Confident	124 Å²	124	55 Å²	55	54%	0.539	24%	0.243	S	C	.	.	H	α-helix	trans	-64.6	-45.8	-179.9	-174	-176.1	176.8	-173.1	0	111.1	H117 R118 S119 N124 H125	H117-K121 VanDerWaalsContact O-CB 3.29Å; H117-K121 WeakPolarHBondContact O-CB 3.24Å; H117-K121 PolarHBondContact O-N 2.78Å; R118-K121 WeakPolarHBondContact O-CB 3.29Å; R118-K121 PolarHBondContact O-N 3.28Å; R118-K121 VanDerWaalsContact O-N 3.1Å; S119-K121 VanDerWaalsContact C-N 3.29Å; S119-K121 PolarHBondContact O-N 2.82Å; K121-N124 PolarHBondContact O-N 3.05Å; K121-H125 PolarHBondContact O-N 3.47Å; K121-H125 VanDerWaalsContact O-N 3.09Å; K121-H125 PolarHBondContact O-ND1 2.77Å
122	E	86.7	Confident	86.5	Confident	79 Å²	79	51.4 Å²	51.4	37%	0.369	23%	0.232	S	C	.	.	H	α-helix	trans	-60.9	-50.6	178.9	-72.4	161.1	171.8	0	0	110.1	R118 S119 N124 H125 M126	R118-E122 WeakPolarHBondContact CG-OE1 3.38Å; R118-E122 IonicContact CZ-OE1 2.68Å; R118-E122 VanDerWaalsContact CZ-OE1 3.31Å; R118-E122 IonicContact NE-OE1 2.88Å; R118-E122 PolarHBondContact NE-OE1 2.93Å; R118-E122 IonicContact NE-OE2 3.78Å; R118-E122 IonicContact NH2-OE1 3.2Å; R118-E122 PolarHBondContact NH2-OE1 3.28Å; R118-E122 WeakPolarHBondContact O-CG 3.41Å; R118-E122 PolarHBondContact O-N 2.91Å; S119-E122 PolarHBondContact O-N 3.32Å; E122-N124 VanDerWaalsContact C-N 3.32Å; E122-N124 PolarHBondContact O-N 2.89Å; E122-H125 CarbonylContact O-C 3.4Å; E122-H125 PolarHBondContact O-N 3Å; E122-H125 VanDerWaalsContact O-N 3.13Å; E122-M126 PolarHBondContact O-N 2.97Å
123	I	86.3	Confident	86.8	Confident	33 Å²	33	53.4 Å²	53.4	17%	0.169	24%	0.237	C	C	.	.	H	α-helix	trans	-59.2	-38.9	174.6	-66.6	166.5	0	0	0	112.5	S119 H125 W143 F580	S119-I123 WeakPolarHBondContact O-CB 3.21Å; S119-I123 WeakPolarHBondContact O-CG1 3.49Å; S119-I123 PolarHBondContact O-N 3.35Å; I123-H125 VanDerWaalsContact C-N 3.28Å; I123-H125 PolarHBondContact O-N 3.23Å; I123-W143 HydrophobicContact CG2-CE3 4.08Å; I123-W143 HydrophobicContact CG2-CZ3 4.22Å; I123-F580 HydrophobicContact CD1-CE1 4.27Å; I123-F580 HydrophobicContact CG1-CD1 4.12Å; I123-F580 HydrophobicContact CG1-CE1 3.44Å; I123-F580 VanDerWaalsContact CG1-CE1 3.44Å; I123-F580 HydrophobicContact CG1-CZ 3.78Å
124	N	91.6	Very high	86.7	Confident	7 Å²	7	61.2 Å²	61.2	4%	0.037	27%	0.273	C	S	.	.	H	α-helix	trans	-74.9	-14	-179.5	-80.6	-50.7	0	0	0	113.9	K46 I47 D120 K121 E122 K144	K46-N124 VanDerWaalsContact CA-OD1 3.28Å; K46-N124 WeakPolarHBondContact CA-OD1 3.49Å; I47-N124 PolarHBondContact N-OD1 3.48Å; I47-N124 PolarHBondContact O-ND2 2.83Å; D120-N124 WeakPolarHBondContact O-CB 3.24Å; D120-N124 PolarHBondContact O-N 2.91Å; D120-N124 PolarHBondContact O-ND2 3.36Å; K121-N124 PolarHBondContact O-N 3.05Å; E122-N124 VanDerWaalsContact C-N 3.32Å; E122-N124 PolarHBondContact O-N 2.89Å; N124-K144 HydrophobicContact CB-CB 3.95Å; N124-K144 WeakPolarHBondContact O-CB 3.06Å; N124-K144 WeakPolarHBondContact O-CD 3.46Å; N124-K144 WeakPolarHBondContact O-CG 3.18Å; N124-K144 PolarHBondContact O-N 3.49Å
125	H	91.9	Very high	86.6	Confident	72 Å²	72	56.4 Å²	56.4	33%	0.333	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	17.4	176.7	-64.3	77.6	0	0	0	112.6	K121 E122 I123 Y142 K144	K121-H125 PolarHBondContact O-N 3.47Å; K121-H125 VanDerWaalsContact O-N 3.09Å; K121-H125 PolarHBondContact O-ND1 2.77Å; E122-H125 CarbonylContact O-C 3.4Å; E122-H125 PolarHBondContact O-N 3Å; E122-H125 VanDerWaalsContact O-N 3.13Å; I123-H125 VanDerWaalsContact C-N 3.28Å; I123-H125 PolarHBondContact O-N 3.23Å; H125-Y142 HydrophobicContact CB-CD1 4.05Å; H125-Y142 HydrophobicContact CB-CE1 4.28Å; H125-K144 PolarHBondContact CD2-NZ 3.11Å; H125-K144 VanDerWaalsContact CD2-NZ 3.26Å; H125-K144 PolarHBondContact NE2-NZ 3.15Å
126	M	88.1	Confident	87	Confident	58 Å²	58	61.5 Å²	61.5	29%	0.286	29%	0.287	S	S	.	.			trans	-64.1	143.1	156.9	-66.3	-61.9	-58.6	0	0	109	E122 Y142 W143 T578	E122-M126 PolarHBondContact O-N 2.97Å; M126-Y142 CarbonylContact O-C 3.57Å; M126-Y142 WeakPolarHBondContact O-CA 3.46Å; M126-W143 VanDerWaalsContact C-CD1 3.5Å; M126-W143 HydrophobicContact CB-CD2 3.58Å; M126-W143 VanDerWaalsContact CB-CE2 3.49Å; M126-W143 HydrophobicContact CB-CE3 4.17Å; M126-W143 HydrophobicContact CB-CG 3.75Å; M126-W143 HydrophobicContact CB-CZ2 4.07Å; M126-W143 HydrophobicContact CG-CD2 4.34Å; M126-W143 HydrophobicContact CG-CE3 4.47Å; M126-W143 HydrophobicContact CG-CZ2 4.46Å; M126-W143 PolarHBondContact O-N 3.31Å; M126-T578 HydrophobicContact CE-CG2 4.42Å
127	D	92.2	Very high	87.5	Confident	85 Å²	85	66.4 Å²	66.4	46%	0.455	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	160.4	178.4	-59.2	-58.9	0	0	0	111.8	Y142 W143	D127-Y142 WeakPolarHBondContact OD1-CD1 3.32Å; D127-Y142 WeakPolarHBondContact OD1-CE1 3.49Å; D127-W143 PolarHBondContact O-NE1 2.89Å
128	C	92.4	Very high	87.7	Confident	3 Å²	3	63.2 Å²	63.2	2%	0.02	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	151.3	173.6	-166.1	0	0	0	0	110.1	E140 K141 I152 E158	C128-E140 WeakPolarHBondContact O-CA 3.26Å; C128-K141 PolarHBondContact N-O 3.24Å; C128-K141 PolarHBondContact O-N 2.97Å; C128-I152 WeakPolarHBondContact SG-CG2 3.25Å; C128-E158 PolarHBondContact SG-OE1 2.81Å
129	L	94.1	Very high	88.1	Confident	15 Å²	15	58.7 Å²	58.7	8%	0.079	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	112.8	-177.9	-69.2	168.3	0	0	0	111.9	E140 I152 R153	L129-E140 HydrophobicContact CD2-CG 3.56Å; L129-I152 VanDerWaalsContact O-CA 3.31Å; L129-I152 WeakPolarHBondContact O-CA 3.39Å; L129-R153 HydrophobicContact CB-CB 4.32Å; L129-R153 WeakPolarHBondContact CB-O 3.4Å; L129-R153 PolarHBondContact O-N 3.4Å
130	V	93.1	Very high	88.7	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.006	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	134.6	-177	-172.8	0	0	0	0	110.3	S132 Y138 V139 K141 L146 D150 F151	V130-S132 PolarHBondContact O-N 3.12Å; V130-Y138 WeakPolarHBondContact O-CA 3.36Å; V130-V139 PolarHBondContact N-O 3.49Å; V130-V139 WeakPolarHBondContact O-CG2 3.41Å; V130-V139 PolarHBondContact O-N 2.88Å; V130-K141 HydrophobicContact CB-CD 3.91Å; V130-K141 HydrophobicContact CB-CG 4.26Å; V130-K141 HydrophobicContact CG1-CD 4.18Å; V130-K141 HydrophobicContact CG2-CB 3.9Å; V130-K141 HydrophobicContact CG2-CD 3.98Å; V130-K141 HydrophobicContact CG2-CG 4.15Å; V130-L146 HydrophobicContact CG2-CD2 3.23Å; V130-D150 HydrophobicContact CG1-CB 4.2Å; V130-F151 WeakPolarHBondContact CA-O 3.24Å
131	Y	91.3	Very high	89.1	Confident	25 Å²	25	67.2 Å²	67.2	10%	0.098	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	127.5	175.7	-166.3	-94.1	0	0	0	111.2	I27 Y138 F151 P207 L208	I27-Y131 HydrophobicContact CD1-CD1 3.49Å; I27-Y131 VanDerWaalsContact CD1-CD1 3.49Å; I27-Y131 HydrophobicContact CD1-CE1 3.93Å; I27-Y131 HydrophobicContact CD1-CG 4.41Å; I27-Y131 HydrophobicContact CG1-CD1 4.31Å; Y131-Y138 HydrophobicContact CD2-CD1 4.4Å; Y131-Y138 HydrophobicContact CD2-CD2 4.14Å; Y131-Y138 HydrophobicContact CD2-CE1 4.15Å; Y131-Y138 AromaticContact CD2-CE2 3.87Å; Y131-Y138 HydrophobicContact CD2-CE2 3.87Å; Y131-Y138 HydrophobicContact CD2-CG 4.39Å; Y131-Y138 AromaticContact CD2-CZ 3.87Å; Y131-Y138 HydrophobicContact CG-CE1 4.48Å; Y131-F151 PolarHBondContact N-O 3.32Å; Y131-P207 HydrophobicContact CD1-CB 3.97Å; Y131-P207 HydrophobicContact CD1-CG 4.25Å; Y131-P207 HydrophobicContact CD2-CB 4.36Å; Y131-P207 HydrophobicContact CD2-CG 3.74Å; Y131-P207 HydrophobicContact CE1-CB 4.17Å; Y131-P207 HydrophobicContact CE1-CG 4.47Å; Y131-P207 HydrophobicContact CE2-CG 3.99Å; Y131-P207 HydrophobicContact CG-CB 4.05Å; Y131-P207 HydrophobicContact CG-CG 3.86Å; Y131-L208 HydrophobicContact CE1-CD2 4.01Å; Y131-L208 HydrophobicContact CE1-CG 4.26Å
132	S	87.6	Confident	89.4	Confident	18 Å²	18	65.7 Å²	65.7	13%	0.126	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	124.9	171.7	174.8	0	0	0	0	110.7	V130 K136 R137	V130-S132 PolarHBondContact O-N 3.12Å; S132-K136 WeakPolarHBondContact O-CA 3.3Å; S132-K136 PolarHBondContact O-N 3.32Å; S132-R137 PolarHBondContact N-O 2.83Å; S132-R137 PolarHBondContact O-N 3.47Å
133	R	82.3	Confident	89.7	Confident	92 Å²	92	62.4 Å²	62.4	35%	0.347	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-39.8	176.8	-175.9	177.7	179.6	179.5	-4.1	112.5	I27 D30 K136 L208	I27-R133 HydrophobicContact CG2-CB 4.32Å; I27-R133 HydrophobicContact CG2-CG 4.23Å; I27-R133 VanDerWaalsContact O-CD 3.25Å; I27-R133 WeakPolarHBondContact O-CD 3.23Å; I27-R133 PolarHBondContact O-NH1 3.32Å; D30-R133 WeakPolarHBondContact OD2-CB 3.43Å; R133-K136 PolarHBondContact O-N 3Å; R133-L208 HydrophobicContact CG-CD2 4.16Å
134	E	81.6	Confident	90	Very high	180 Å²	180	63.1 Å²	63.1	84%	0.841	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-45	-179.9	-61.3	177.5	157.8	0	0	111.4
135	A	80.6	Confident	90	Very high	45 Å²	45	66.9 Å²	66.9	37%	0.372	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-6.1	-179	0	0	0	0	0	113.6	R137 V139	A135-R137 HydrophobicContact CB-CG 3.87Å; A135-R137 WeakPolarHBondContact O-CG 3.18Å; A135-R137 PolarHBondContact O-N 3.29Å; A135-R137 VanDerWaalsContact O-N 3.08Å; A135-V139 HydrophobicContact CB-CG1 4.08Å
136	K	84.7	Confident	90	Very high	158 Å²	158	63.4 Å²	63.4	69%	0.687	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	28.4	-172.6	-62.2	-175.1	179.2	179.6	0	114.7	S132 R133	S132-K136 WeakPolarHBondContact O-CA 3.3Å; S132-K136 PolarHBondContact O-N 3.32Å; R133-K136 PolarHBondContact O-N 3Å
137	R	89.3	Confident	90.2	Very high	154 Å²	154	68.4 Å²	68.4	58%	0.581	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.6	164.6	-174.9	70.4	-174.4	-178	90.6	-10.2	111.3	S132 A135 V139	S132-R137 PolarHBondContact N-O 2.83Å; S132-R137 PolarHBondContact O-N 3.47Å; A135-R137 HydrophobicContact CB-CG 3.87Å; A135-R137 WeakPolarHBondContact O-CG 3.18Å; A135-R137 PolarHBondContact O-N 3.29Å; A135-R137 VanDerWaalsContact O-N 3.08Å; R137-V139 HydrophobicContact CG-CG1 4.03Å
138	Y	89.9	Confident	90.2	Very high	34 Å²	34	64.4 Å²	64.4	13%	0.133	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	132.2	165.3	-64.8	-86	0	0	0	110	V130 Y131 R153 V259	V130-Y138 WeakPolarHBondContact O-CA 3.36Å; Y131-Y138 HydrophobicContact CD2-CD1 4.4Å; Y131-Y138 HydrophobicContact CD2-CD2 4.14Å; Y131-Y138 HydrophobicContact CD2-CE1 4.15Å; Y131-Y138 AromaticContact CD2-CE2 3.87Å; Y131-Y138 HydrophobicContact CD2-CE2 3.87Å; Y131-Y138 HydrophobicContact CD2-CG 4.39Å; Y131-Y138 AromaticContact CD2-CZ 3.87Å; Y131-Y138 HydrophobicContact CG-CE1 4.48Å; Y138-R153 HydrophobicContact CD1-CB 3.54Å; Y138-R153 HydrophobicContact CD2-CB 4.35Å; Y138-R153 HydrophobicContact CE1-CB 3.52Å; Y138-R153 HydrophobicContact CE2-CB 4.34Å; Y138-R153 HydrophobicContact CG-CB 3.98Å; Y138-V259 WeakPolarHBondContact OH-CG1 3.44Å
139	V	92.9	Very high	90.1	Very high	26 Å²	26	64.3 Å²	64.3	16%	0.158	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	144.6	177.8	-61.8	0	0	0	0	109.1	V130 A135 R137 K141	V130-V139 PolarHBondContact N-O 3.49Å; V130-V139 WeakPolarHBondContact O-CG2 3.41Å; V130-V139 PolarHBondContact O-N 2.88Å; A135-V139 HydrophobicContact CB-CG1 4.08Å; R137-V139 HydrophobicContact CG-CG1 4.03Å; V139-K141 HydrophobicContact CG2-CG 4.38Å
140	E	92.8	Very high	90	Very high	137 Å²	137	64.5 Å²	64.5	64%	0.64	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	130.3	178.8	-67.2	166	170.3	0	0	109.4	C128 L129	C128-E140 WeakPolarHBondContact O-CA 3.26Å; L129-E140 HydrophobicContact CD2-CG 3.56Å
141	K	92.9	Very high	90	Very high	66 Å²	66	64.6 Å²	64.6	29%	0.287	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	150.3	173.9	-65	-173.9	-175.4	168.9	0	110.2	C128 V130 V139	C128-K141 PolarHBondContact N-O 3.24Å; C128-K141 PolarHBondContact O-N 2.97Å; V130-K141 HydrophobicContact CB-CD 3.91Å; V130-K141 HydrophobicContact CB-CG 4.26Å; V130-K141 HydrophobicContact CG1-CD 4.18Å; V130-K141 HydrophobicContact CG2-CB 3.9Å; V130-K141 HydrophobicContact CG2-CD 3.98Å; V130-K141 HydrophobicContact CG2-CG 4.15Å; V139-K141 HydrophobicContact CG2-CG 4.38Å
142	Y	94.6	Very high	90.1	Very high	91 Å²	91	63.4 Å²	63.4	36%	0.357	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	144.3	176	-63.8	-60.7	0	0	0	112.2	H125 M126 D127 K144 E145	H125-Y142 HydrophobicContact CB-CD1 4.05Å; H125-Y142 HydrophobicContact CB-CE1 4.28Å; M126-Y142 CarbonylContact O-C 3.57Å; M126-Y142 WeakPolarHBondContact O-CA 3.46Å; D127-Y142 WeakPolarHBondContact OD1-CD1 3.32Å; D127-Y142 WeakPolarHBondContact OD1-CE1 3.49Å; Y142-K144 PolarHBondContact O-N 3.28Å; Y142-E145 WeakPolarHBondContact CD2-OE1 3.44Å; Y142-E145 WeakPolarHBondContact O-CB 3.44Å; Y142-E145 PolarHBondContact O-N 3.49Å
143	W	93.9	Very high	90.4	Very high	11 Å²	11	66.4 Å²	66.4	4%	0.042	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-52.2	-32.1	179.8	-77.3	22.5	0	0	0	114.1	N45 I123 M126 D127 E145 I159 P161 R248	N45-W143 WeakPolarHBondContact CB-O 3.38Å; N45-W143 PolarHBondContact ND2-O 3.16Å; I123-W143 HydrophobicContact CG2-CE3 4.08Å; I123-W143 HydrophobicContact CG2-CZ3 4.22Å; M126-W143 VanDerWaalsContact C-CD1 3.5Å; M126-W143 HydrophobicContact CB-CD2 3.58Å; M126-W143 VanDerWaalsContact CB-CE2 3.49Å; M126-W143 HydrophobicContact CB-CE3 4.17Å; M126-W143 HydrophobicContact CB-CG 3.75Å; M126-W143 HydrophobicContact CB-CZ2 4.07Å; M126-W143 HydrophobicContact CG-CD2 4.34Å; M126-W143 HydrophobicContact CG-CE3 4.47Å; M126-W143 HydrophobicContact CG-CZ2 4.46Å; M126-W143 PolarHBondContact O-N 3.31Å; D127-W143 PolarHBondContact O-NE1 2.89Å; W143-E145 PolarHBondContact O-N 2.94Å; W143-I159 HydrophobicContact CH2-CB 4.13Å; W143-I159 HydrophobicContact CH2-CG2 3.87Å; W143-I159 HydrophobicContact CZ2-CB 4.27Å; W143-I159 HydrophobicContact CZ2-CG2 4.47Å; W143-I159 VanDerWaalsContact CZ2-O 3.29Å; W143-I159 WeakPolarHBondContact CZ2-O 3.32Å; W143-P161 HydrophobicContact CD2-CB 3.64Å; W143-P161 HydrophobicContact CE3-CB 4.25Å; W143-P161 HydrophobicContact CG-CB 3.86Å; W143-P161 HydrophobicContact CZ2-CB 4.01Å; W143-R248 VanDerWaalsContact CE3-NH2 3.33Å
144	K	92.9	Very high	90.9	Very high	48 Å²	48	62 Å²	62	21%	0.209	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-64.1	-22.2	176.7	74.8	-159.4	175.1	-162.8	0	114.3	S44 K46 N124 H125 Y142	S44-K144 PolarHBondContact OG-O 3.28Å; K46-K144 HydrophobicContact CB-CB 4.19Å; K46-K144 HydrophobicContact CG-CB 4.33Å; N124-K144 HydrophobicContact CB-CB 3.95Å; N124-K144 WeakPolarHBondContact O-CB 3.06Å; N124-K144 WeakPolarHBondContact O-CD 3.46Å; N124-K144 WeakPolarHBondContact O-CG 3.18Å; N124-K144 PolarHBondContact O-N 3.49Å; H125-K144 PolarHBondContact CD2-NZ 3.11Å; H125-K144 VanDerWaalsContact CD2-NZ 3.26Å; H125-K144 PolarHBondContact NE2-NZ 3.15Å; Y142-K144 PolarHBondContact O-N 3.28Å
145	E	91.6	Very high	91.4	Very high	85 Å²	85	59.4 Å²	59.4	40%	0.397	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-93.3	-17.1	-172.7	-71.1	162.4	-160.8	0	0	112.7	Y142 W143	Y142-E145 WeakPolarHBondContact CD2-OE1 3.44Å; Y142-E145 WeakPolarHBondContact O-CB 3.44Å; Y142-E145 PolarHBondContact O-N 3.49Å; W143-E145 PolarHBondContact O-N 2.94Å
146	L	91.7	Very high	91.6	Very high	0 Å²	0	59 Å²	59	0%	0	25%	0.25	C	S	.	.			trans	-59.2	139.3	177.2	-59	177.1	0	0	0	112.3	N45 V130 I152 P161	N45-L146 HydrophobicContact CB-CB 3.83Å; N45-L146 WeakPolarHBondContact CB-O 3.39Å; N45-L146 PolarHBondContact N-O 3.39Å; V130-L146 HydrophobicContact CG2-CD2 3.23Å; L146-I152 HydrophobicContact CD1-CD1 3.87Å; L146-I152 HydrophobicContact CD2-CD1 3.93Å; L146-I152 HydrophobicContact CD2-CG1 4.39Å; L146-I152 HydrophobicContact CG-CD1 4.47Å; L146-P161 HydrophobicContact CD1-CB 3.59Å; L146-P161 HydrophobicContact CD1-CG 3.72Å
147	R	91.6	Very high	91.6	Very high	162 Å²	162	53.2 Å²	53.2	61%	0.611	23%	0.227	S	C	*	.			trans	-126.4	156.2	179.7	-56.2	-178.2	-174.6	-179.7	2.3	110.9	G149 D150 V262	R147-G149 PolarHBondContact O-N 3.32Å; R147-D150 PolarHBondContact N-OD2 3.38Å; R147-D150 WeakPolarHBondContact O-CB 3.2Å; R147-D150 PolarHBondContact O-N 3.17Å; R147-D150 VanDerWaalsContact O-N 3.15Å; R147-V262 WeakPolarHBondContact O-CB 3.39Å
148	V	92.6	Very high	91.5	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.012	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	130.3	170	176.6	0	0	0	0	108.7	R21 V23 N26 N39 Y42 V262 I263 A265	R21-V148 VanDerWaalsContact NH2-CG2 3.32Å; V23-V148 HydrophobicContact CB-CG1 4.33Å; V23-V148 HydrophobicContact CG1-CG1 3.8Å; V23-V148 HydrophobicContact CG2-CG1 3.61Å; N26-V148 PolarHBondContact ND2-O 2.9Å; N39-V148 PolarHBondContact ND2-O 2.99Å; Y42-V148 HydrophobicContact CD2-CB 3.91Å; Y42-V148 HydrophobicContact CD2-CG1 3.59Å; Y42-V148 HydrophobicContact CD2-CG2 4.43Å; Y42-V148 HydrophobicContact CE2-CG1 4.1Å; Y42-V148 HydrophobicContact CG-CB 4.36Å; Y42-V148 HydrophobicContact CG-CG1 4.28Å; Y42-V148 HydrophobicContact CG-CG2 4.39Å; V148-V262 HydrophobicContact CG2-CG1 4.47Å; V148-I263 WeakPolarHBondContact CG1-O 3.35Å; V148-A265 HydrophobicContact CG2-CB 3.82Å
149	G	90.7	Very high	91.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	1.6	-172.8	0	0	0	0	0	116.1	H24 N26 R147 V262	H24-G149 WeakPolarHBondContact O-CA 3.46Å; N26-G149 PolarHBondContact N-O 3.04Å; R147-G149 PolarHBondContact O-N 3.32Å; G149-V262 PolarHBondContact N-O 2.79Å
150	D	91.6	Very high	91.5	Very high	20 Å²	20	46 Å²	46	11%	0.107	20%	0.2	C	C	.	.			trans	-78.6	145	169.5	-68.4	-12	0	0	0	111	N26 V130 R147 I261 V262	N26-D150 PolarHBondContact ND2-N 3.2Å; N26-D150 PolarHBondContact ND2-OD1 3.19Å; V130-D150 HydrophobicContact CG1-CB 4.2Å; R147-D150 PolarHBondContact N-OD2 3.38Å; R147-D150 WeakPolarHBondContact O-CB 3.2Å; R147-D150 PolarHBondContact O-N 3.17Å; R147-D150 VanDerWaalsContact O-N 3.15Å; D150-I261 WeakPolarHBondContact O-CA 3.16Å; D150-V262 HydrophobicContact CB-CG2 4.41Å; D150-V262 PolarHBondContact O-N 3.3Å
151	F	93.6	Very high	91.5	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.009	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	135	169.8	-64.7	-89.9	0	0	0	110.9	A25 I27 V130 Y131 L167 F205 P207 F210 G260 I261	A25-F151 HydrophobicContact CB-CE2 3.61Å; A25-F151 HydrophobicContact CB-CZ 3.81Å; I27-F151 HydrophobicContact CD1-CD2 3.48Å; I27-F151 VanDerWaalsContact CD1-CD2 3.48Å; I27-F151 HydrophobicContact CD1-CE2 3.55Å; I27-F151 HydrophobicContact CG1-CD2 4.08Å; I27-F151 HydrophobicContact CG1-CE2 4.11Å; V130-F151 WeakPolarHBondContact CA-O 3.24Å; Y131-F151 PolarHBondContact N-O 3.32Å; F151-L167 HydrophobicContact CD1-CD1 4.01Å; F151-L167 HydrophobicContact CE1-CD1 3.62Å; F151-F205 HydrophobicContact CD1-CE1 4.02Å; F151-F205 HydrophobicContact CD1-CZ 4.37Å; F151-F205 AromaticContact CE1-CE1 3.91Å; F151-F205 HydrophobicContact CE1-CE1 3.91Å; F151-F205 AromaticContact CE1-CZ 3.83Å; F151-F205 HydrophobicContact CE1-CZ 3.83Å; F151-P207 HydrophobicContact CD1-CB 4.38Å; F151-P207 HydrophobicContact CD2-CB 3.91Å; F151-P207 HydrophobicContact CE2-CB 4.08Å; F151-P207 HydrophobicContact CG-CB 4.04Å; F151-P207 HydrophobicContact CG-CG 4.48Å; F151-P207 HydrophobicContact CZ-CB 4.41Å; F151-F210 HydrophobicContact CE1-CB 4.35Å; F151-F210 HydrophobicContact CE1-CD1 4.28Å; F151-F210 HydrophobicContact CE1-CD2 4.37Å; F151-F210 HydrophobicContact CE1-CG 4.09Å; F151-F210 HydrophobicContact CZ-CB 3.84Å; F151-F210 AromaticContact CZ-CD1 3.66Å; F151-F210 HydrophobicContact CZ-CD1 3.66Å; F151-F210 HydrophobicContact CZ-CD2 4.46Å; F151-F210 HydrophobicContact CZ-CE1 4.31Å; F151-F210 AromaticContact CZ-CG 3.74Å; F151-F210 HydrophobicContact CZ-CG 3.74Å; F151-G260 WeakPolarHBondContact CA-O 3.28Å; F151-I261 HydrophobicContact CD1-CB 4.14Å; F151-I261 HydrophobicContact CE1-CB 4.19Å; F151-I261 HydrophobicContact CE1-CD1 4.12Å; F151-I261 HydrophobicContact CE1-CG1 4.44Å; F151-I261 HydrophobicContact CE2-CD1 4.47Å; F151-I261 HydrophobicContact CZ-CD1 4.04Å
152	I	93.5	Very high	91.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	142.7	-177.8	-65.2	179.3	0	0	0	109.4	C128 L129 L146 L154 P161 I164 V259 G260 V262	C128-I152 WeakPolarHBondContact SG-CG2 3.25Å; L129-I152 VanDerWaalsContact O-CA 3.31Å; L129-I152 WeakPolarHBondContact O-CA 3.39Å; L146-I152 HydrophobicContact CD1-CD1 3.87Å; L146-I152 HydrophobicContact CD2-CD1 3.93Å; L146-I152 HydrophobicContact CD2-CG1 4.39Å; L146-I152 HydrophobicContact CG-CD1 4.47Å; I152-L154 HydrophobicContact CG2-CD2 3.7Å; I152-L154 HydrophobicContact CG2-CG 3.98Å; I152-P161 HydrophobicContact CD1-CG 3.94Å; I152-I164 HydrophobicContact CB-CD1 4.36Å; I152-I164 HydrophobicContact CD1-CD1 3.82Å; I152-I164 HydrophobicContact CG2-CD1 4.36Å; I152-V259 WeakPolarHBondContact O-CA 3.34Å; I152-G260 PolarHBondContact N-O 2.88Å; I152-G260 PolarHBondContact O-N 2.86Å; I152-V262 HydrophobicContact CD1-CG2 3.41Å; I152-V262 VanDerWaalsContact CD1-CG2 3.41Å; I152-V262 HydrophobicContact CG1-CG2 4.09Å
153	R	93.6	Very high	91.7	Very high	82 Å²	82	32 Å²	32	31%	0.309	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	116	169.2	177.7	170.3	176.2	154.6	-7.7	108	L129 Y138 E257 A258 V259	L129-R153 HydrophobicContact CB-CB 4.32Å; L129-R153 WeakPolarHBondContact CB-O 3.4Å; L129-R153 PolarHBondContact O-N 3.4Å; Y138-R153 HydrophobicContact CD1-CB 3.54Å; Y138-R153 HydrophobicContact CD2-CB 4.35Å; Y138-R153 HydrophobicContact CE1-CB 3.52Å; Y138-R153 HydrophobicContact CE2-CB 4.34Å; Y138-R153 HydrophobicContact CG-CB 3.98Å; R153-E257 IonicContact CZ-OE1 3.84Å; R153-E257 VanDerWaalsContact CZ-OE1 3.26Å; R153-E257 IonicContact CZ-OE2 3.18Å; R153-E257 VanDerWaalsContact NE-CD 3.26Å; R153-E257 IonicContact NE-OE1 3.75Å; R153-E257 PolarHBondContact NE-OE1 3.37Å; R153-E257 IonicContact NE-OE2 2.7Å; R153-E257 PolarHBondContact NE-OE2 3.13Å; R153-E257 IonicContact NH2-OE1 3.73Å; R153-E257 PolarHBondContact NH2-OE1 3.25Å; R153-E257 IonicContact NH2-OE2 3.1Å; R153-E257 PolarHBondContact NH2-OE2 3.15Å; R153-A258 WeakPolarHBondContact CA-O 3.45Å; R153-V259 HydrophobicContact CB-CG2 4.31Å; R153-V259 HydrophobicContact CG-CG2 4.27Å
154	L	92.6	Very high	91.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	141.1	-179.4	-57.2	162.9	0	0	0	108.5	I152 E158 L160 I164 L246 V252 E257 A258	I152-L154 HydrophobicContact CG2-CD2 3.7Å; I152-L154 HydrophobicContact CG2-CG 3.98Å; L154-E158 WeakPolarHBondContact CA-OE2 3.4Å; L154-L160 HydrophobicContact CD1-CD2 3.35Å; L154-L160 HydrophobicContact CD1-CG 4.21Å; L154-L160 HydrophobicContact CD2-CD2 4.37Å; L154-I164 HydrophobicContact CD1-CD1 4.43Å; L154-L246 HydrophobicContact CD1-CD1 3.85Å; L154-V252 HydrophobicContact CB-CG2 4.14Å; L154-V252 HydrophobicContact CD1-CG2 4.12Å; L154-E257 CarbonylContact O-C 3.1Å; L154-E257 VanDerWaalsContact O-CA 3.24Å; L154-E257 WeakPolarHBondContact O-CA 3.46Å; L154-A258 PolarHBondContact N-O 2.96Å; L154-A258 PolarHBondContact O-N 3.11Å
155	R	91.2	Very high	91.8	Very high	124 Å²	124	29.2 Å²	29.2	47%	0.468	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	161.2	172.7	-67.1	176.3	174.5	147.2	-2.8	111.9	N157 E158 E256	R155-N157 PolarHBondContact O-N 3.32Å; R155-E158 PolarHBondContact N-OE2 3.17Å; R155-E158 WeakPolarHBondContact O-CB 3.5Å; R155-E158 PolarHBondContact O-N 3.49Å; R155-E256 CarbonylContact C-O 3.52Å; R155-E256 WeakPolarHBondContact CA-O 3.17Å
156	C	86.4	Confident	91.9	Very high	37 Å²	37	25.1 Å²	25.1	25%	0.25	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	134.6	168.6	-166.1	0	0	0	0	111	E158 T255 E256	C156-E158 VanDerWaalsContact C-N 3.26Å; C156-E158 PolarHBondContact O-N 3.46Å; C156-T255 WeakPolarHBondContact CA-O 3.38Å; C156-T255 WeakPolarHBondContact CB-O 3.48Å; C156-E256 PolarHBondContact N-O 2.95Å
157	N	83.1	Confident	91.8	Very high	37 Å²	37	25.2 Å²	25.2	20%	0.198	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	6.5	-175.6	-44.1	-70.6	0	0	0	115.8	R155 T251 V252 R253 V576	R155-N157 PolarHBondContact O-N 3.32Å; N157-T251 WeakPolarHBondContact O-CG2 3.08Å; N157-V252 WeakPolarHBondContact CA-O 3.31Å; N157-V252 PolarHBondContact N-O 2.97Å; N157-R253 PolarHBondContact OD1-NH1 3.17Å; N157-V576 HydrophobicContact CB-CG2 4.09Å; N157-V576 WeakPolarHBondContact O-CG2 3.37Å
158	E	87.8	Confident	91.6	Very high	37 Å²	37	19.4 Å²	19.4	17%	0.173	9%	0.091	C	C	.	.	P	Polyproline II helix	trans	-79	145.8	173.5	-165.2	176.7	159.3	0	0	112	C128 L154 R155 C156 T251 V252	C128-E158 PolarHBondContact SG-OE1 2.81Å; L154-E158 WeakPolarHBondContact CA-OE2 3.4Å; R155-E158 PolarHBondContact N-OE2 3.17Å; R155-E158 WeakPolarHBondContact O-CB 3.5Å; R155-E158 PolarHBondContact O-N 3.49Å; C156-E158 VanDerWaalsContact C-N 3.26Å; C156-E158 PolarHBondContact O-N 3.46Å; E158-T251 WeakPolarHBondContact O-CA 3.17Å; E158-V252 PolarHBondContact O-N 2.97Å
159	I	89.8	Confident	91.4	Very high	25 Å²	25	19.9 Å²	19.9	13%	0.128	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-90.5	130.2	178.4	-56.4	176.6	0	0	0	109.6	W143 T578	W143-I159 HydrophobicContact CH2-CB 4.13Å; W143-I159 HydrophobicContact CH2-CG2 3.87Å; W143-I159 HydrophobicContact CZ2-CB 4.27Å; W143-I159 HydrophobicContact CZ2-CG2 4.47Å; W143-I159 VanDerWaalsContact CZ2-O 3.29Å; W143-I159 WeakPolarHBondContact CZ2-O 3.32Å; I159-T578 WeakPolarHBondContact CD1-OG1 3.23Å
160	L	93	Very high	91.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.113	C	C	.	.	P	Polyproline II helix	trans	-62.7	120.1	-178.8	-82.5	149.4	0	0	0	112.3	L154 I164 I178 L246 L247 R248 G249 C250 V252	L154-L160 HydrophobicContact CD1-CD2 3.35Å; L154-L160 HydrophobicContact CD1-CG 4.21Å; L154-L160 HydrophobicContact CD2-CD2 4.37Å; L160-I164 HydrophobicContact CD2-CD1 3.99Å; L160-I178 HydrophobicContact CD1-CG2 4.03Å; L160-L246 HydrophobicContact CD1-CB 3.81Å; L160-L246 HydrophobicContact CD2-CB 3.51Å; L160-L246 HydrophobicContact CD2-CD1 3.88Å; L160-L246 HydrophobicContact CD2-CG 4.35Å; L160-L246 HydrophobicContact CG-CB 4.32Å; L160-L247 VanDerWaalsContact CB-O 3.28Å; L160-L247 WeakPolarHBondContact CB-O 3.49Å; L160-R248 WeakPolarHBondContact O-CA 3.32Å; L160-G249 PolarHBondContact O-N 3.27Å; L160-C250 WeakPolarHBondContact CB-O 3.18Å; L160-C250 HydrophobicContact CD1-CB 3.7Å; L160-C250 PolarHBondContact N-O 2.98Å; L160-V252 HydrophobicContact CD1-CG2 4.49Å; L160-V252 HydrophobicContact CG-CG2 4.49Å
161	P	93.6	Very high	90.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.114	C	C	.	.			trans	-84.2	-15.8	-171.6	35	-40.1	0	0	0	114.2	N45 W143 L146 I152 I164 R248	N45-P161 PolarHBondContact ND2-O 2.96Å; N45-P161 PolarHBondContact OD1-O 3.32Å; W143-P161 HydrophobicContact CD2-CB 3.64Å; W143-P161 HydrophobicContact CE3-CB 4.25Å; W143-P161 HydrophobicContact CG-CB 3.86Å; W143-P161 HydrophobicContact CZ2-CB 4.01Å; L146-P161 HydrophobicContact CD1-CB 3.59Å; L146-P161 HydrophobicContact CD1-CG 3.72Å; I152-P161 HydrophobicContact CD1-CG 3.94Å; P161-I164 HydrophobicContact CG-CD1 4.06Å; P161-R248 WeakPolarHBondContact O-CD 3.38Å; P161-R248 PolarHBondContact O-NE 2.91Å; P161-R248 PolarHBondContact O-NH1 2.54Å
162	A	95	Very high	89.2	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-158.8	175	-172	0	0	0	0	0	109.2	I164 R248 V262	A162-I164 HydrophobicContact CB-CG1 4.29Å; A162-R248 PolarHBondContact O-N 2.98Å; A162-V262 HydrophobicContact CB-CG1 3.87Å; A162-V262 HydrophobicContact CB-CG2 4.36Å
163	D	95.3	Very high	87.9	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	115.8	171.1	-63.1	-16.8	0	0	0	108.5	L245 L246 R248 I263 Y264 T269 K270	D163-L245 HydrophobicContact CB-CD1 4.43Å; D163-L246 CarbonylContact C-O 3.56Å; D163-L246 WeakPolarHBondContact CA-O 3.06Å; D163-R248 PolarHBondContact OD1-N 3.4Å; D163-I263 PolarHBondContact O-N 3.48Å; D163-Y264 HydrophobicContact CB-CD2 3.85Å; D163-Y264 HydrophobicContact CB-CG 4.43Å; D163-Y264 PolarHBondContact N-O 3.25Å; D163-Y264 VanDerWaalsContact N-O 3.11Å; D163-Y264 PolarHBondContact O-N 3.45Å; D163-T269 HydrophobicContact CB-CG2 4.42Å; D163-T269 WeakPolarHBondContact OD2-CA 3.29Å; D163-T269 WeakPolarHBondContact OD2-CB 3.39Å; D163-K270 PolarHBondContact OD2-N 2.67Å
164	I	95.2	Very high	87.1	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	132.1	-164	-67.8	168.3	0	0	0	109.7	I152 L154 L160 P161 A162 L246 I261 V262	I152-I164 HydrophobicContact CB-CD1 4.36Å; I152-I164 HydrophobicContact CD1-CD1 3.82Å; I152-I164 HydrophobicContact CG2-CD1 4.36Å; L154-I164 HydrophobicContact CD1-CD1 4.43Å; L160-I164 HydrophobicContact CD2-CD1 3.99Å; P161-I164 HydrophobicContact CG-CD1 4.06Å; A162-I164 HydrophobicContact CB-CG1 4.29Å; I164-L246 HydrophobicContact CB-CB 4.41Å; I164-L246 PolarHBondContact N-O 3.22Å; I164-L246 PolarHBondContact O-N 3.33Å; I164-I261 WeakPolarHBondContact CA-O 3.33Å; I164-V262 HydrophobicContact CG1-CG2 4.22Å
165	L	94.4	Very high	86.6	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	124.4	171.5	-172.2	74.4	0	0	0	109.6	L167 V195 I214 F226 I230 L240 N244 G260 I261 I263	L165-L167 HydrophobicContact CD2-CD2 4.34Å; L165-V195 HydrophobicContact CD1-CG2 4.24Å; L165-V195 HydrophobicContact CD2-CG2 4.17Å; L165-V195 HydrophobicContact CG-CG2 4.15Å; L165-I214 HydrophobicContact CD2-CD1 3.85Å; L165-I214 HydrophobicContact CD2-CG2 4.45Å; L165-F226 HydrophobicContact CD1-CE1 4.12Å; L165-I230 HydrophobicContact CD2-CD1 4.07Å; L165-L240 HydrophobicContact CD1-CD1 4.02Å; L165-L240 HydrophobicContact CD1-CD2 4Å; L165-L240 HydrophobicContact CD1-CG 4.48Å; L165-L240 HydrophobicContact CD2-CD1 3.72Å; L165-L240 HydrophobicContact CD2-CD2 4.16Å; L165-N244 HydrophobicContact CD1-CB 3.7Å; L165-G260 CarbonylContact O-C 3.55Å; L165-G260 WeakPolarHBondContact O-CA 3.36Å; L165-I261 HydrophobicContact CB-CG2 3.97Å; L165-I261 HydrophobicContact CD2-CG2 4.39Å; L165-I261 PolarHBondContact N-O 3.4Å; L165-I261 PolarHBondContact O-N 3.01Å; L165-I263 HydrophobicContact CB-CD1 3.95Å; L165-I263 HydrophobicContact CB-CG1 3.74Å; L165-I263 HydrophobicContact CD2-CD1 4.49Å
166	L	93.2	Very high	86.4	Confident	0 Å²	0	23 Å²	23	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	123.6	179.9	-178.5	60.7	0	0	0	111	T168 C176 R192 N244 L246 A258	L166-T168 VanDerWaalsContact CD1-O 3.29Å; L166-T168 WeakPolarHBondContact CD1-O 3.47Å; L166-C176 HydrophobicContact CD1-CB 4.3Å; L166-C176 HydrophobicContact CD2-CB 3.62Å; L166-R192 HydrophobicContact CD2-CB 4.23Å; L166-N244 PolarHBondContact N-O 3.09Å; L166-L246 HydrophobicContact CB-CD2 4.45Å; L166-L246 HydrophobicContact CB-CG 4.38Å; L166-L246 HydrophobicContact CD1-CD1 4.4Å; L166-A258 HydrophobicContact CD1-CB 4.1Å
167	L	89.6	Confident	86.4	Confident	1 Å²	1	21.7 Å²	21.7	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	-20.8	-177.2	-64.9	-177.8	0	0	0	113.8	F151 L165 I194 F198 F205 F210 I230 V259 I261	F151-L167 HydrophobicContact CD1-CD1 4.01Å; F151-L167 HydrophobicContact CE1-CD1 3.62Å; L165-L167 HydrophobicContact CD2-CD2 4.34Å; L167-I194 WeakPolarHBondContact O-CG2 3.48Å; L167-F198 HydrophobicContact CD2-CD2 4.46Å; L167-F198 HydrophobicContact CD2-CE2 4.03Å; L167-F205 HydrophobicContact CB-CE2 4.3Å; L167-F205 HydrophobicContact CB-CZ 4.28Å; L167-F205 HydrophobicContact CD1-CE1 4.41Å; L167-F205 HydrophobicContact CD1-CE2 4.42Å; L167-F205 HydrophobicContact CD1-CZ 3.82Å; L167-F210 HydrophobicContact CD1-CD2 4.3Å; L167-F210 HydrophobicContact CD1-CE2 3.9Å; L167-F210 HydrophobicContact CD1-CZ 4.42Å; L167-F210 HydrophobicContact CD2-CE2 4.11Å; L167-I230 HydrophobicContact CD2-CD1 4.44Å; L167-V259 PolarHBondContact N-O 3.04Å; L167-I261 HydrophobicContact CD1-CB 3.88Å; L167-I261 HydrophobicContact CD1-CG2 3.68Å; L167-I261 HydrophobicContact CD2-CG2 4.49Å; L167-I261 HydrophobicContact CG-CG2 4.15Å
168	T	88.5	Confident	86.6	Confident	40 Å²	40	19.9 Å²	19.9	25%	0.245	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	151.5	172.4	-33.5	0	0	0	0	109.7	L166 F205 V259	L166-T168 VanDerWaalsContact CD1-O 3.29Å; L166-T168 WeakPolarHBondContact CD1-O 3.47Å; T168-F205 HydrophobicContact CG2-CB 4.11Å; T168-F205 WeakPolarHBondContact OG1-CB 3.38Å; T168-F205 VanDerWaalsContact OG1-CG 3.24Å; T168-F205 WeakPolarHBondContact OG1-CG 3.39Å; T168-V259 PolarHBondContact N-O 3.25Å; T168-V259 PolarHBondContact O-N 3.49Å
169	S	88	Confident	86.3	Confident	12 Å²	12	19.8 Å²	19.8	8%	0.084	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	150.4	169.1	-171.4	0	0	0	0	109.8	D171 L175 T255	S169-D171 WeakPolarHBondContact OG-CB 3.38Å; S169-D171 PolarHBondContact OG-N 2.77Å; S169-L175 WeakPolarHBondContact CB-O 3.33Å; S169-L175 PolarHBondContact OG-O 2.79Å; S169-T255 WeakPolarHBondContact OG-CG2 3.28Å
170	S	83.9	Confident	85.5	Confident	56 Å²	56	18.9 Å²	18.9	39%	0.392	11%	0.11	S	C	.	.	S	Bend	trans	-73.5	-13.5	167.7	71.8	0	0	0	0	112.6	E256 E257	S170-E256 PolarHBondContact OG-N 3.49Å; S170-E256 VanDerWaalsContact OG-N 3.14Å; S170-E257 WeakPolarHBondContact CB-O 3.36Å; S170-E257 PolarHBondContact N-O 3.33Å; S170-E257 PolarHBondContact OG-N 2.91Å; S170-E257 PolarHBondContact OG-O 3.3Å
171	D	77.3	Confident	84.2	Confident	23 Å²	23	20.4 Å²	20.4	12%	0.123	12%	0.123	C	C	.	.	S	Bend	trans	-68.1	122.7	176.4	-162.8	-18.8	0	0	0	109.3	S169 D173 H174 L175 H177	S169-D171 WeakPolarHBondContact OG-CB 3.38Å; S169-D171 PolarHBondContact OG-N 2.77Å; D171-D173 PolarHBondContact O-N 2.89Å; D171-D173 VanDerWaalsContact O-N 3.13Å; D171-D173 VanDerWaalsContact OD1-CB 3.29Å; D171-D173 WeakPolarHBondContact OD1-CB 3.24Å; D171-D173 PolarHBondContact OD1-N 2.67Å; D171-H174 PolarHBondContact O-N 2.65Å; D171-H174 PolarHBondContact O-ND1 2.71Å; D171-L175 WeakPolarHBondContact CB-O 3.48Å; D171-H177 IonicContact OD2-CE1 3.41Å
172	P	67.6	Low	82.7	Confident	109 Å²	109	23.4 Å²	23.4	71%	0.708	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-27.2	174.4	25.1	-35.8	0	0	0	111.7	H174	P172-H174 PolarHBondContact O-N 2.86Å
173	D	66.8	Low	81.1	Confident	32 Å²	32	24.1 Å²	24.1	17%	0.171	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-7.5	178	-68.3	19.4	0	0	0	113.2	D171 L175 P698	D171-D173 PolarHBondContact O-N 2.89Å; D171-D173 VanDerWaalsContact O-N 3.13Å; D171-D173 VanDerWaalsContact OD1-CB 3.29Å; D171-D173 WeakPolarHBondContact OD1-CB 3.24Å; D171-D173 PolarHBondContact OD1-N 2.67Å; D173-L175 HydrophobicContact CB-CB 4.34Å; D173-L175 HydrophobicContact CB-CD1 4.07Å; D173-L175 HydrophobicContact CB-CG 3.91Å; D173-L175 PolarHBondContact O-N 2.77Å; D173-P698 HydrophobicContact CB-CG 3.44Å; D173-P698 VanDerWaalsContact CB-CG 3.44Å; D173-P698 WeakPolarHBondContact OD1-CD 3.34Å; D173-P698 VanDerWaalsContact OD2-CD 3.29Å; D173-P698 WeakPolarHBondContact OD2-CD 3.16Å; D173-P698 WeakPolarHBondContact OD2-CG 3.09Å
174	H	76.9	Confident	79.3	Confident	51 Å²	51	25.6 Å²	25.6	24%	0.236	15%	0.153	C	C	.	.	S	Bend	trans	59.6	28.7	-173.9	-70	1.4	0	0	0	112.8	D171 P172 I194 F199	D171-H174 PolarHBondContact O-N 2.65Å; D171-H174 PolarHBondContact O-ND1 2.71Å; P172-H174 PolarHBondContact O-N 2.86Å; H174-I194 HydrophobicContact CB-CD1 3.48Å; H174-I194 VanDerWaalsContact CB-CD1 3.48Å; H174-I194 HydrophobicContact CB-CG1 3.86Å; H174-I194 WeakPolarHBondContact O-CG1 3.46Å; H174-I194 PolarHBondContact O-N 2.98Å; H174-F199 HydrophobicContact CB-CE1 4.04Å; H174-F199 HydrophobicContact CB-CZ 4.22Å; H174-F199 AromaticContact CD2-CD1 3.92Å
175	L	82.1	Confident	77.2	Confident	22 Å²	22	26.7 Å²	26.7	12%	0.115	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	160.4	176.8	-59.3	-178.5	0	0	0	111.9	S169 D171 D173 R192 Q193	S169-L175 WeakPolarHBondContact CB-O 3.33Å; S169-L175 PolarHBondContact OG-O 2.79Å; D171-L175 WeakPolarHBondContact CB-O 3.48Å; D173-L175 HydrophobicContact CB-CB 4.34Å; D173-L175 HydrophobicContact CB-CD1 4.07Å; D173-L175 HydrophobicContact CB-CG 3.91Å; D173-L175 PolarHBondContact O-N 2.77Å; L175-R192 CarbonylContact C-O 3.58Å; L175-R192 WeakPolarHBondContact CA-O 3.37Å; L175-Q193 HydrophobicContact CD2-CG 3.73Å
176	C	87.4	Confident	75.4	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	125.2	167.7	179.2	0	0	0	0	108.3	L166 R192 T255	L166-C176 HydrophobicContact CD1-CB 4.3Å; L166-C176 HydrophobicContact CD2-CB 3.62Å; C176-R192 HydrophobicContact CB-CB 4.36Å; C176-R192 PolarHBondContact N-O 2.89Å; C176-R192 WeakPolarHBondContact O-CB 3.4Å; C176-R192 PolarHBondContact O-N 3.13Å; C176-T255 WeakPolarHBondContact CA-OG1 3.49Å
177	H	85.6	Confident	73.7	Confident	10 Å²	10	32.1 Å²	32.1	5%	0.046	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	134.7	177.5	-48.7	72.3	0	0	0	109.8	D171 R253 N254 T255	D171-H177 IonicContact OD2-CE1 3.41Å; H177-R253 WeakPolarHBondContact CB-O 3.22Å; H177-R253 PolarHBondContact O-N 2.73Å; H177-R253 VanDerWaalsContact O-O 3.13Å; H177-N254 HydrophobicContact CB-CB 4.47Å; H177-T255 PolarHBondContact N-OG1 3.08Å
178	I	87.2	Confident	72.5	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	134.8	177.4	59	169.4	0	0	0	112	L160 T180 K190 R192 L246 C250 T251	L160-I178 HydrophobicContact CD1-CG2 4.03Å; I178-T180 HydrophobicContact CD1-CG2 4.43Å; I178-T180 HydrophobicContact CG1-CG2 4.46Å; I178-K190 HydrophobicContact CG1-CB 4.47Å; I178-K190 WeakPolarHBondContact CG1-O 3.46Å; I178-K190 PolarHBondContact N-O 2.85Å; I178-K190 PolarHBondContact O-N 3.11Å; I178-R192 HydrophobicContact CD1-CG 3.92Å; I178-R192 HydrophobicContact CG1-CG 4.09Å; I178-L246 HydrophobicContact CG2-CD2 4.2Å; I178-C250 HydrophobicContact CB-CB 4.25Å; I178-C250 HydrophobicContact CD1-CB 4.25Å; I178-T251 CarbonylContact C-O 3.47Å; I178-T251 WeakPolarHBondContact CA-O 3.23Å
179	E	81.6	Confident	71.8	Confident	35 Å²	35	31.7 Å²	31.7	16%	0.164	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	126.1	169.7	-178.5	-173.9	160.2	0	0	109.3	A181 L189 C250 T251 R253	E179-A181 HydrophobicContact CG-CB 4.28Å; E179-L189 HydrophobicContact CB-CD2 4.28Å; E179-C250 VanDerWaalsContact O-CA 3.28Å; E179-C250 WeakPolarHBondContact O-CA 3.49Å; E179-C250 WeakPolarHBondContact O-CB 3.2Å; E179-T251 PolarHBondContact N-O 2.87Å; E179-T251 PolarHBondContact O-N 3.01Å; E179-R253 HydrophobicContact CB-CG 4.06Å; E179-R253 IonicContact OE2-CZ 3.24Å; E179-R253 IonicContact OE2-NE 2.87Å; E179-R253 PolarHBondContact OE2-NE 2.63Å; E179-R253 IonicContact OE2-NH2 2.74Å; E179-R253 PolarHBondContact OE2-NH2 3.43Å
180	T	73	Confident	71.4	Confident	5 Å²	5	32.4 Å²	32.4	3%	0.031	19%	0.191	C	C	.	.			trans	-102.5	3.5	-172.3	60.6	0	0	0	0	115.3	I178 T182 L183 D184 E186 K190	I178-T180 HydrophobicContact CD1-CG2 4.43Å; I178-T180 HydrophobicContact CG1-CG2 4.46Å; T180-T182 PolarHBondContact O-N 2.73Å; T180-L183 WeakPolarHBondContact O-CA 3.37Å; T180-L183 WeakPolarHBondContact O-CB 3.4Å; T180-L183 PolarHBondContact O-N 3.16Å; T180-D184 WeakPolarHBondContact CB-OD1 3.45Å; T180-D184 WeakPolarHBondContact CB-OD2 3.39Å; T180-D184 PolarHBondContact O-N 3.04Å; T180-D184 VanDerWaalsContact OG1-CG 3.26Å; T180-D184 PolarHBondContact OG1-OD1 2.86Å; T180-D184 PolarHBondContact OG1-OD2 2.93Å; T180-E186 CarbonylContact C-O 3.49Å; T180-K190 HydrophobicContact CG2-CB 4.42Å; T180-K190 HydrophobicContact CG2-CD 3.77Å; T180-K190 HydrophobicContact CG2-CG 4.19Å; T180-K190 VanDerWaalsContact OG1-CE 3.23Å; T180-K190 WeakPolarHBondContact OG1-CE 3.34Å; T180-K190 PolarHBondContact OG1-NZ 3.21Å
181	A	65.6	Low	71.4	Confident	32 Å²	32	32.2 Å²	32.2	26%	0.264	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-29.2	-172.4	0	0	0	0	0	115.4	E179 L183 G185 E186 T187	E179-A181 HydrophobicContact CG-CB 4.28Å; A181-L183 VanDerWaalsContact C-N 3.29Å; A181-L183 PolarHBondContact O-N 3.37Å; A181-G185 VanDerWaalsContact O-CA 3.31Å; A181-G185 WeakPolarHBondContact O-CA 3.16Å; A181-G185 PolarHBondContact O-N 2.95Å; A181-E186 WeakPolarHBondContact CA-O 3.39Å; A181-E186 WeakPolarHBondContact CB-O 3.41Å; A181-E186 PolarHBondContact N-O 2.81Å; A181-T187 HydrophobicContact CB-CG2 4.25Å
182	T	61.8	Low	71.9	Confident	63 Å²	63	32.8 Å²	32.8	39%	0.387	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-14.6	177	63.5	0	0	0	0	114.3	T180 G249 R1021	T180-T182 PolarHBondContact O-N 2.73Å; T182-G249 WeakPolarHBondContact CB-O 3.18Å; T182-G249 WeakPolarHBondContact CG2-O 3.48Å; T182-G249 PolarHBondContact OG1-O 2.92Å; T182-R1021 VanDerWaalsContact O-CZ 3.26Å; T182-R1021 PolarHBondContact O-NH1 3.08Å; T182-R1021 PolarHBondContact O-NH2 3.18Å
183	L	62.8	Low	72.8	Confident	15 Å²	15	31.1 Å²	31.1	8%	0.079	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-57.9	-177.3	-66.9	-168.8	0	0	0	112.9	T180 A181 L247 C250 A271 R1021	T180-L183 WeakPolarHBondContact O-CA 3.37Å; T180-L183 WeakPolarHBondContact O-CB 3.4Å; T180-L183 PolarHBondContact O-N 3.16Å; A181-L183 VanDerWaalsContact C-N 3.29Å; A181-L183 PolarHBondContact O-N 3.37Å; L183-L247 HydrophobicContact CD1-CB 3.72Å; L183-L247 HydrophobicContact CD1-CD1 3.93Å; L183-L247 HydrophobicContact CD1-CG 4.5Å; L183-C250 WeakPolarHBondContact CD1-SG 3.18Å; L183-A271 HydrophobicContact CD2-CB 3.63Å; L183-R1021 VanDerWaalsContact CA-NH1 3.25Å; L183-R1021 PolarHBondContact O-NH1 3.39Å
184	D	57.5	Low	73.8	Confident	32 Å²	32	29.8 Å²	29.8	17%	0.171	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-13.9	-174.4	47.5	26.2	0	0	0	114.1	T180 E186 K190 H1020	T180-D184 WeakPolarHBondContact CB-OD1 3.45Å; T180-D184 WeakPolarHBondContact CB-OD2 3.39Å; T180-D184 PolarHBondContact O-N 3.04Å; T180-D184 VanDerWaalsContact OG1-CG 3.26Å; T180-D184 PolarHBondContact OG1-OD1 2.86Å; T180-D184 PolarHBondContact OG1-OD2 2.93Å; D184-E186 WeakPolarHBondContact OD1-CB 3.18Å; D184-E186 PolarHBondContact OD1-N 3.35Å; D184-K190 IonicContact OD2-NZ 3.03Å; D184-K190 PolarHBondContact OD2-NZ 2.99Å; D184-H1020 PolarHBondContact O-ND1 2.86Å
185	G	49.7	Very low	73.9	Confident	22 Å²	22	27.5 Å²	27.5	23%	0.227	15%	0.15	C	C	.	.	S	Bend	trans	94.8	-13.1	-174.3	0	0	0	0	0	113.3	A181	A181-G185 VanDerWaalsContact O-CA 3.31Å; A181-G185 WeakPolarHBondContact O-CA 3.16Å; A181-G185 PolarHBondContact O-N 2.95Å
186	E	57.4	Low	73.3	Confident	57 Å²	57	30.8 Å²	30.8	27%	0.266	16%	0.161	S	C	.	.			trans	-80.8	125.1	-174	-64.5	172.9	-143.1	0	0	112.2	T180 A181 D184 N188 K190	T180-E186 CarbonylContact C-O 3.49Å; A181-E186 WeakPolarHBondContact CA-O 3.39Å; A181-E186 WeakPolarHBondContact CB-O 3.41Å; A181-E186 PolarHBondContact N-O 2.81Å; D184-E186 WeakPolarHBondContact OD1-CB 3.18Å; D184-E186 PolarHBondContact OD1-N 3.35Å; E186-N188 HydrophobicContact CB-CB 4.31Å; E186-N188 PolarHBondContact O-N 2.83Å; E186-N188 PolarHBondContact OE2-ND2 2.87Å; E186-K190 VanDerWaalsContact CD-NZ 3.29Å; E186-K190 IonicContact OE1-NZ 3.94Å; E186-K190 WeakPolarHBondContact OE2-CE 3.38Å; E186-K190 IonicContact OE2-NZ 2.64Å; E186-K190 PolarHBondContact OE2-NZ 2.82Å
187	T	56.7	Low	72.4	Confident	57 Å²	57	31.5 Å²	31.5	35%	0.35	17%	0.166	S	C	.	.			trans	-77	6.3	171.5	50.9	0	0	0	0	113.7	A181 F506	A181-T187 HydrophobicContact CB-CG2 4.25Å; T187-F506 WeakPolarHBondContact OG1-CE2 3.38Å; T187-F506 VanDerWaalsContact OG1-CZ 3.27Å; T187-F506 WeakPolarHBondContact OG1-CZ 3.41Å
188	N	65.2	Low	71.6	Confident	13 Å²	13	32.3 Å²	32.3	7%	0.07	17%	0.169	C	C	.	.			trans	-63.3	143.5	177.4	-66.8	-37.9	0	0	0	112	E186 F506 E675	E186-N188 HydrophobicContact CB-CB 4.31Å; E186-N188 PolarHBondContact O-N 2.83Å; E186-N188 PolarHBondContact OE2-ND2 2.87Å; N188-F506 WeakPolarHBondContact OD1-CE2 3.42Å; N188-F506 WeakPolarHBondContact OD1-CZ 3.04Å; N188-E675 WeakPolarHBondContact CB-O 3.27Å; N188-E675 PolarHBondContact ND2-O 2.96Å; N188-E675 PolarHBondContact OD1-O 2.85Å
189	L	74.6	Confident	70.5	Confident	19 Å²	19	36.2 Å²	36.2	10%	0.099	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	121.2	168.5	-64.2	-174.9	0	0	0	109.8	E179 R253 E673 A674 E675	E179-L189 HydrophobicContact CB-CD2 4.28Å; L189-R253 HydrophobicContact CD2-CB 3.74Å; L189-R253 HydrophobicContact CD2-CG 3.77Å; L189-E673 HydrophobicContact CD1-CB 3.94Å; L189-A674 PolarHBondContact N-O 2.86Å; L189-E675 WeakPolarHBondContact O-CA 3.45Å; L189-E675 WeakPolarHBondContact O-CB 3.18Å
190	K	79.4	Confident	69.2	Low	28 Å²	28	40.4 Å²	40.4	12%	0.122	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128	179.5	-55.5	-171	-173.1	175.3	0	109.5	I178 T180 D184 E186 E675	I178-K190 HydrophobicContact CG1-CB 4.47Å; I178-K190 WeakPolarHBondContact CG1-O 3.46Å; I178-K190 PolarHBondContact N-O 2.85Å; I178-K190 PolarHBondContact O-N 3.11Å; T180-K190 HydrophobicContact CG2-CB 4.42Å; T180-K190 HydrophobicContact CG2-CD 3.77Å; T180-K190 HydrophobicContact CG2-CG 4.19Å; T180-K190 VanDerWaalsContact OG1-CE 3.23Å; T180-K190 WeakPolarHBondContact OG1-CE 3.34Å; T180-K190 PolarHBondContact OG1-NZ 3.21Å; D184-K190 IonicContact OD2-NZ 3.03Å; D184-K190 PolarHBondContact OD2-NZ 2.99Å; E186-K190 VanDerWaalsContact CD-NZ 3.29Å; E186-K190 IonicContact OE1-NZ 3.94Å; E186-K190 WeakPolarHBondContact OE2-CE 3.38Å; E186-K190 IonicContact OE2-NZ 2.64Å; E186-K190 PolarHBondContact OE2-NZ 2.82Å; K190-E675 HydrophobicContact CG-CG 4.36Å
191	Q	83.8	Confident	68.4	Low	52 Å²	52	44.7 Å²	44.7	24%	0.243	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	147.5	-175.9	-69.3	180	-10	0	0	112
192	R	87.6	Confident	67.7	Low	34 Å²	34	51 Å²	51	13%	0.128	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	147.8	175	-66.3	-68.9	-178.2	-85.2	2.4	109.5	L166 L175 C176 I178 K242 E243 L245 L246	L166-R192 HydrophobicContact CD2-CB 4.23Å; L175-R192 CarbonylContact C-O 3.58Å; L175-R192 WeakPolarHBondContact CA-O 3.37Å; C176-R192 HydrophobicContact CB-CB 4.36Å; C176-R192 PolarHBondContact N-O 2.89Å; C176-R192 WeakPolarHBondContact O-CB 3.4Å; C176-R192 PolarHBondContact O-N 3.13Å; I178-R192 HydrophobicContact CD1-CG 3.92Å; I178-R192 HydrophobicContact CG1-CG 4.09Å; R192-K242 PolarHBondContact NE-O 3.29Å; R192-E243 CarbonylContact C-O 3.36Å; R192-E243 WeakPolarHBondContact CA-O 3.36Å; R192-E243 WeakPolarHBondContact CB-O 3.01Å; R192-E243 WeakPolarHBondContact CD-O 3.4Å; R192-L245 WeakPolarHBondContact CD-O 3.33Å; R192-L245 PolarHBondContact NE-O 3.39Å; R192-L246 HydrophobicContact CB-CD2 3.76Å; R192-L246 HydrophobicContact CG-CD2 3.7Å
193	Q	85.7	Confident	67.2	Low	75 Å²	75	52.5 Å²	52.5	35%	0.35	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	144.2	-173	-61.1	-170.8	-18.6	0	0	110.6	L175 E243 N244	L175-Q193 HydrophobicContact CD2-CG 3.73Å; Q193-E243 PolarHBondContact N-O 2.53Å; Q193-N244 WeakPolarHBondContact O-CA 3.08Å; Q193-N244 PolarHBondContact O-ND2 3.25Å
194	I	87.6	Confident	67.2	Low	4 Å²	4	59.3 Å²	59.3	2%	0.021	31%	0.31	C	S	.	.			trans	-61.5	161.7	171.8	-25.4	-179.2	0	0	0	110.6	L167 H174 F198 F199 N244	L167-I194 WeakPolarHBondContact O-CG2 3.48Å; H174-I194 HydrophobicContact CB-CD1 3.48Å; H174-I194 VanDerWaalsContact CB-CD1 3.48Å; H174-I194 HydrophobicContact CB-CG1 3.86Å; H174-I194 WeakPolarHBondContact O-CG1 3.46Å; H174-I194 PolarHBondContact O-N 2.98Å; I194-F198 HydrophobicContact CG2-CB 4.41Å; I194-F199 HydrophobicContact CB-CE2 4.08Å; I194-N244 PolarHBondContact O-ND2 2.9Å; I194-N244 VanDerWaalsContact O-ND2 3.17Å
195	V	78.8	Confident	67.9	Low	2 Å²	2	59.8 Å²	59.8	1%	0.012	31%	0.31	C	S	.	.			trans	-70.5	129.3	170.8	-173.2	0	0	0	0	110.1	L165 S197 F198 I230 L240 N244	L165-V195 HydrophobicContact CD1-CG2 4.24Å; L165-V195 HydrophobicContact CD2-CG2 4.17Å; L165-V195 HydrophobicContact CG-CG2 4.15Å; V195-S197 PolarHBondContact O-N 3.27Å; V195-F198 HydrophobicContact CB-CD2 4.2Å; V195-F198 PolarHBondContact O-N 2.95Å; V195-I230 HydrophobicContact CB-CD1 4.2Å; V195-I230 HydrophobicContact CG1-CD1 3.86Å; V195-I230 HydrophobicContact CG1-CG1 4.27Å; V195-I230 HydrophobicContact CG2-CD1 4.09Å; V195-L240 HydrophobicContact CB-CD2 4.11Å; V195-L240 HydrophobicContact CG1-CD2 3.54Å; V195-L240 HydrophobicContact CG2-CD2 3.37Å; V195-N244 HydrophobicContact CG2-CB 4.13Å
196	R	71.1	Confident	69.2	Low	91 Å²	91	60.9 Å²	60.9	34%	0.343	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-48.9	-34	-170.3	-68.8	-171.4	175	-163	-5.3	115.9	F198 F199 E814	R196-F198 PolarHBondContact O-N 2.84Å; R196-F199 PolarHBondContact O-N 2.83Å; R196-E814 IonicContact CZ-OE1 2.72Å; R196-E814 IonicContact CZ-OE2 3.9Å; R196-E814 VanDerWaalsContact NH1-CD 3.29Å; R196-E814 IonicContact NH1-OE1 2.95Å; R196-E814 IonicContact NH1-OE2 3.65Å; R196-E814 PolarHBondContact NH1-OE2 3.32Å; R196-E814 IonicContact NH2-OE1 3.82Å; R196-E814 PolarHBondContact NH2-OE1 3.16Å; R196-E814 IonicContact NH2-OE2 2.99Å; R196-E814 PolarHBondContact NH2-OE2 3.35Å
197	S	67.6	Low	70.4	Confident	15 Å²	15	58.4 Å²	58.4	11%	0.105	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-60.1	-10	176.1	15.9	0	0	0	0	116.2	V195 H232 D238	V195-S197 PolarHBondContact O-N 3.27Å; S197-H232 VanDerWaalsContact CB-CE1 3.46Å; S197-H232 WeakPolarHBondContact CB-CE1 3.46Å; S197-H232 WeakPolarHBondContact CB-NE2 3.23Å; S197-H232 PolarHBondContact OG-CE1 2.93Å; S197-H232 PolarHBondContact OG-NE2 3.5Å; S197-D238 WeakPolarHBondContact CB-OD2 3.42Å; S197-D238 PolarHBondContact OG-OD2 2.91Å
198	F	69.4	Low	71.6	Confident	27 Å²	27	58.8 Å²	58.8	12%	0.118	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-110.4	3.3	179.5	-60.2	-78.7	0	0	0	113.9	L167 I194 V195 R196 L201 F205 F210 I230	L167-F198 HydrophobicContact CD2-CD2 4.46Å; L167-F198 HydrophobicContact CD2-CE2 4.03Å; I194-F198 HydrophobicContact CG2-CB 4.41Å; V195-F198 HydrophobicContact CB-CD2 4.2Å; V195-F198 PolarHBondContact O-N 2.95Å; R196-F198 PolarHBondContact O-N 2.84Å; F198-L201 HydrophobicContact CD1-CD1 3.85Å; F198-L201 HydrophobicContact CE1-CD1 4.46Å; F198-F205 HydrophobicContact CD1-CD2 4.47Å; F198-F205 HydrophobicContact CD1-CE2 4.33Å; F198-F205 HydrophobicContact CE1-CE2 4.05Å; F198-F210 HydrophobicContact CE1-CD2 4.35Å; F198-F210 HydrophobicContact CE1-CE2 4.49Å; F198-F210 HydrophobicContact CE2-CE2 4.3Å; F198-F210 AromaticContact CZ-CD2 3.94Å; F198-F210 HydrophobicContact CZ-CD2 3.94Å; F198-F210 AromaticContact CZ-CE2 3.66Å; F198-F210 HydrophobicContact CZ-CE2 3.66Å; F198-I230 HydrophobicContact CE2-CD1 4.07Å
199	F	63.4	Low	72.2	Confident	82 Å²	82	65.2 Å²	65.2	36%	0.36	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-31.7	171.5	-77.4	-114.4	0	0	0	111.7	H174 I194 R196 L201	H174-F199 HydrophobicContact CB-CE1 4.04Å; H174-F199 HydrophobicContact CB-CZ 4.22Å; H174-F199 AromaticContact CD2-CD1 3.92Å; I194-F199 HydrophobicContact CB-CE2 4.08Å; R196-F199 PolarHBondContact O-N 2.83Å; F199-L201 PolarHBondContact O-N 3.17Å
200	D	54.6	Low	72.6	Confident	124 Å²	124	64.7 Å²	64.7	66%	0.663	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	19.5	-179.8	-51.4	-41	0	0	0	113.2
201	L	57.2	Low	72.7	Confident	95 Å²	95	65.6 Å²	65.6	50%	0.497	33%	0.334	S	S	.	.			trans	-134.5	80.2	-168.6	-77.1	170	0	0	0	112.1	F198 F199 C203	F198-L201 HydrophobicContact CD1-CD1 3.85Å; F198-L201 HydrophobicContact CE1-CD1 4.46Å; F199-L201 PolarHBondContact O-N 3.17Å; L201-C203 PolarHBondContact O-N 3.44Å
202	D	49.2	Very low	72.7	Confident	164 Å²	164	63.7 Å²	63.7	88%	0.877	33%	0.326	S	S	*	.			trans	-65.4	34.9	171.5	-62.3	-48.2	0	0	0	114.1
203	C	52.1	Low	72.8	Confident	94 Å²	94	65 Å²	65	64%	0.635	34%	0.335	S	S	*	.	S	Bend	trans	-128.7	138.4	-175.8	-72.9	0	0	0	0	110.4	L201 F205	L201-C203 PolarHBondContact O-N 3.44Å; C203-F205 PolarHBondContact O-N 3.23Å; C203-F205 VanDerWaalsContact O-N 3.14Å
204	D	63.3	Low	73	Confident	159 Å²	159	61.5 Å²	61.5	85%	0.85	32%	0.318	S	S	*	.			trans	-43.5	122.1	169.6	-79.6	-46	0	0	0	111.4	D206	D204-D206 PolarHBondContact O-N 3.43Å
205	F	72.3	Confident	73.2	Confident	41 Å²	41	63.5 Å²	63.5	18%	0.18	33%	0.328	C	S	.	.			trans	-65.2	108.3	-178.6	179.5	-90.5	0	0	0	110.3	F151 L167 T168 F198 C203 P207 F210 V259	F151-F205 HydrophobicContact CD1-CE1 4.02Å; F151-F205 HydrophobicContact CD1-CZ 4.37Å; F151-F205 AromaticContact CE1-CE1 3.91Å; F151-F205 HydrophobicContact CE1-CE1 3.91Å; F151-F205 AromaticContact CE1-CZ 3.83Å; F151-F205 HydrophobicContact CE1-CZ 3.83Å; L167-F205 HydrophobicContact CB-CE2 4.3Å; L167-F205 HydrophobicContact CB-CZ 4.28Å; L167-F205 HydrophobicContact CD1-CE1 4.41Å; L167-F205 HydrophobicContact CD1-CE2 4.42Å; L167-F205 HydrophobicContact CD1-CZ 3.82Å; T168-F205 HydrophobicContact CG2-CB 4.11Å; T168-F205 WeakPolarHBondContact OG1-CB 3.38Å; T168-F205 VanDerWaalsContact OG1-CG 3.24Å; T168-F205 WeakPolarHBondContact OG1-CG 3.39Å; F198-F205 HydrophobicContact CD1-CD2 4.47Å; F198-F205 HydrophobicContact CD1-CE2 4.33Å; F198-F205 HydrophobicContact CE1-CE2 4.05Å; C203-F205 PolarHBondContact O-N 3.23Å; C203-F205 VanDerWaalsContact O-N 3.14Å; F205-P207 HydrophobicContact CD1-CG 4.19Å; F205-P207 HydrophobicContact CE1-CB 4.35Å; F205-P207 HydrophobicContact CE1-CG 3.98Å; F205-P207 WeakPolarHBondContact O-CD 3.32Å; F205-F210 AromaticContact CE2-CD2 3.9Å; F205-F210 HydrophobicContact CE2-CD2 3.9Å; F205-F210 HydrophobicContact CZ-CB 4.09Å; F205-F210 AromaticContact CZ-CD2 3.69Å; F205-F210 HydrophobicContact CZ-CD2 3.69Å; F205-F210 HydrophobicContact CZ-CG 4.22Å; F205-V259 HydrophobicContact CD1-CG1 3.98Å; F205-V259 HydrophobicContact CE1-CG1 4.24Å
206	D	77.3	Confident	73.7	Confident	46 Å²	46	63.5 Å²	63.5	25%	0.246	33%	0.328	C	S	.	.			trans	-95.6	110.1	176.4	177.4	3.7	0	0	0	110.2	D204 L208 K209	D204-D206 PolarHBondContact O-N 3.43Å; D206-L208 PolarHBondContact O-N 2.97Å; D206-L208 WeakPolarHBondContact OD1-CB 3.49Å; D206-L208 WeakPolarHBondContact OD1-CG 3.23Å; D206-L208 PolarHBondContact OD1-N 2.83Å; D206-K209 HydrophobicContact CB-CD 3.86Å; D206-K209 HydrophobicContact CB-CG 4.05Å; D206-K209 PolarHBondContact O-N 2.91Å; D206-K209 WeakPolarHBondContact OD2-CE 3.39Å; D206-K209 IonicContact OD2-NZ 3.7Å
207	P	82.3	Confident	74.6	Confident	4 Å²	4	60.3 Å²	60.3	3%	0.026	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-20.2	178.9	-25.2	37	0	0	0	114.1	I27 Y131 F151 F205 K209	I27-P207 HydrophobicContact CD1-CB 3.44Å; I27-P207 VanDerWaalsContact CD1-CB 3.44Å; Y131-P207 HydrophobicContact CD1-CB 3.97Å; Y131-P207 HydrophobicContact CD1-CG 4.25Å; Y131-P207 HydrophobicContact CD2-CB 4.36Å; Y131-P207 HydrophobicContact CD2-CG 3.74Å; Y131-P207 HydrophobicContact CE1-CB 4.17Å; Y131-P207 HydrophobicContact CE1-CG 4.47Å; Y131-P207 HydrophobicContact CE2-CG 3.99Å; Y131-P207 HydrophobicContact CG-CB 4.05Å; Y131-P207 HydrophobicContact CG-CG 3.86Å; F151-P207 HydrophobicContact CD1-CB 4.38Å; F151-P207 HydrophobicContact CD2-CB 3.91Å; F151-P207 HydrophobicContact CE2-CB 4.08Å; F151-P207 HydrophobicContact CG-CB 4.04Å; F151-P207 HydrophobicContact CG-CG 4.48Å; F151-P207 HydrophobicContact CZ-CB 4.41Å; F205-P207 HydrophobicContact CD1-CG 4.19Å; F205-P207 HydrophobicContact CE1-CB 4.35Å; F205-P207 HydrophobicContact CE1-CG 3.98Å; F205-P207 WeakPolarHBondContact O-CD 3.32Å; P207-K209 VanDerWaalsContact C-N 3.31Å
208	L	80.8	Confident	75.7	Confident	66 Å²	66	64 Å²	64	35%	0.346	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-27.3	175.5	-57	171.9	0	0	0	112.4	I27 Y131 R133 D206	I27-L208 HydrophobicContact CG2-CD2 3.88Å; Y131-L208 HydrophobicContact CE1-CD2 4.01Å; Y131-L208 HydrophobicContact CE1-CG 4.26Å; R133-L208 HydrophobicContact CG-CD2 4.16Å; D206-L208 PolarHBondContact O-N 2.97Å; D206-L208 WeakPolarHBondContact OD1-CB 3.49Å; D206-L208 WeakPolarHBondContact OD1-CG 3.23Å; D206-L208 PolarHBondContact OD1-N 2.83Å
209	K	79.3	Confident	76.6	Confident	147 Å²	147	64.5 Å²	64.5	64%	0.639	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-21.8	179.1	-62.4	173.9	-165.2	149.6	0	112.6	D206 P207 S211	D206-K209 HydrophobicContact CB-CD 3.86Å; D206-K209 HydrophobicContact CB-CG 4.05Å; D206-K209 PolarHBondContact O-N 2.91Å; D206-K209 WeakPolarHBondContact OD2-CE 3.39Å; D206-K209 IonicContact OD2-NZ 3.7Å; P207-K209 VanDerWaalsContact C-N 3.31Å; K209-S211 PolarHBondContact O-N 2.98Å; K209-S211 VanDerWaalsContact O-N 3.07Å
210	F	82.1	Confident	77.8	Confident	9 Å²	9	61.9 Å²	61.9	4%	0.039	33%	0.327	C	S	.	.			trans	-66.6	107	-178.7	-172.5	-82.4	0	0	0	111	A25 H28 F151 L167 F198 F205 S212 I214 I261	A25-F210 HydrophobicContact CB-CD1 4Å; A25-F210 HydrophobicContact CB-CE1 4.44Å; H28-F210 PolarHBondContact NE2-O 2.87Å; F151-F210 HydrophobicContact CE1-CB 4.35Å; F151-F210 HydrophobicContact CE1-CD1 4.28Å; F151-F210 HydrophobicContact CE1-CD2 4.37Å; F151-F210 HydrophobicContact CE1-CG 4.09Å; F151-F210 HydrophobicContact CZ-CB 3.84Å; F151-F210 AromaticContact CZ-CD1 3.66Å; F151-F210 HydrophobicContact CZ-CD1 3.66Å; F151-F210 HydrophobicContact CZ-CD2 4.46Å; F151-F210 HydrophobicContact CZ-CE1 4.31Å; F151-F210 AromaticContact CZ-CG 3.74Å; F151-F210 HydrophobicContact CZ-CG 3.74Å; L167-F210 HydrophobicContact CD1-CD2 4.3Å; L167-F210 HydrophobicContact CD1-CE2 3.9Å; L167-F210 HydrophobicContact CD1-CZ 4.42Å; L167-F210 HydrophobicContact CD2-CE2 4.11Å; F198-F210 HydrophobicContact CE1-CD2 4.35Å; F198-F210 HydrophobicContact CE1-CE2 4.49Å; F198-F210 HydrophobicContact CE2-CE2 4.3Å; F198-F210 AromaticContact CZ-CD2 3.94Å; F198-F210 HydrophobicContact CZ-CD2 3.94Å; F198-F210 AromaticContact CZ-CE2 3.66Å; F198-F210 HydrophobicContact CZ-CE2 3.66Å; F205-F210 AromaticContact CE2-CD2 3.9Å; F205-F210 HydrophobicContact CE2-CD2 3.9Å; F205-F210 HydrophobicContact CZ-CB 4.09Å; F205-F210 AromaticContact CZ-CD2 3.69Å; F205-F210 HydrophobicContact CZ-CD2 3.69Å; F205-F210 HydrophobicContact CZ-CG 4.22Å; F210-S212 VanDerWaalsContact CE1-O 3.23Å; F210-S212 WeakPolarHBondContact CE1-O 3.22Å; F210-I214 HydrophobicContact CZ-CD1 4.26Å; F210-I261 HydrophobicContact CE1-CD1 4.4Å
211	S	80.6	Confident	79	Confident	47 Å²	47	60.9 Å²	60.9	33%	0.329	32%	0.322	S	S	.	.			trans	-119.7	12.7	-179	56.3	0	0	0	0	113.7	K209	K209-S211 PolarHBondContact O-N 2.98Å; K209-S211 VanDerWaalsContact O-N 3.07Å
212	S	85.8	Confident	80	Confident	12 Å²	12	59.8 Å²	59.8	8%	0.084	32%	0.316	C	S	.	.			trans	-87.1	152.9	-176	-53.9	0	0	0	0	112	F210 I230 I231 H232	F210-S212 VanDerWaalsContact CE1-O 3.23Å; F210-S212 WeakPolarHBondContact CE1-O 3.22Å; S212-I230 VanDerWaalsContact CB-CG2 3.5Å; S212-I231 WeakPolarHBondContact CA-O 3.21Å; S212-I231 WeakPolarHBondContact CB-O 3.37Å; S212-H232 PolarHBondContact OG-ND1 2.99Å
213	I	88.7	Confident	81.4	Confident	61 Å²	61	54.4 Å²	54.4	31%	0.313	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	134.7	-176.6	-58.7	172.5	0	0	0	108.8	T22 I231	T22-I213 HydrophobicContact CG2-CG2 3.39Å; I213-I231 PolarHBondContact N-O 2.84Å; I213-I231 PolarHBondContact O-N 2.97Å
214	I	90.8	Very high	82.6	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	117.4	-177.5	-57.3	169	0	0	0	109.1	T22 V23 L165 F210 I230 L240 I261 I263	T22-I214 CarbonylContact C-O 3.58Å; T22-I214 WeakPolarHBondContact CA-O 3.46Å; V23-I214 HydrophobicContact CB-CB 4.32Å; V23-I214 PolarHBondContact N-O 3.12Å; V23-I214 PolarHBondContact O-N 2.8Å; L165-I214 HydrophobicContact CD2-CD1 3.85Å; L165-I214 HydrophobicContact CD2-CG2 4.45Å; F210-I214 HydrophobicContact CZ-CD1 4.26Å; I214-I230 HydrophobicContact CG1-CD1 4.5Å; I214-I230 HydrophobicContact CG1-CG1 4.25Å; I214-L240 HydrophobicContact CG2-CD1 3.79Å; I214-I261 HydrophobicContact CD1-CD1 4.21Å; I214-I261 HydrophobicContact CD1-CG2 3.57Å; I214-I263 HydrophobicContact CD1-CD1 3.93Å; I214-I263 HydrophobicContact CG2-CD1 4.07Å
215	E	90.4	Very high	83.5	Confident	47 Å²	47	53.7 Å²	53.7	22%	0.22	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	121.2	172.4	-172.3	178	-171.8	0	0	109.8	T20 R21 G228 Y229	T20-E215 WeakPolarHBondContact CB-OE1 3.39Å; T20-E215 HydrophobicContact CG2-CG 4.06Å; T20-E215 WeakPolarHBondContact CG2-OE1 3.37Å; T20-E215 PolarHBondContact OG1-OE1 3.07Å; R21-E215 WeakPolarHBondContact O-CA 3.37Å; E215-G228 CarbonylContact O-C 3.56Å; E215-G228 WeakPolarHBondContact O-CA 3.48Å; E215-Y229 PolarHBondContact N-O 2.97Å; E215-Y229 PolarHBondContact O-N 3.29Å
216	C	90.3	Very high	84.2	Confident	1 Å²	1	52 Å²	52	1%	0.007	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	168.5	-177.6	52.7	0	0	0	0	111.6	T20 R21 F226	T20-C216 CarbonylContact C-O 3.59Å; T20-C216 VanDerWaalsContact CA-O 3.22Å; T20-C216 WeakPolarHBondContact CA-O 3.38Å; T20-C216 VanDerWaalsContact CB-O 3.3Å; T20-C216 WeakPolarHBondContact CB-O 3.34Å; R21-C216 PolarHBondContact N-O 3.12Å; R21-C216 PolarHBondContact O-N 3.17Å; C216-F226 HydrophobicContact CB-CE2 3.96Å; C216-F226 HydrophobicContact CB-CZ 4.06Å
217	E	89.9	Confident	84.6	Confident	24 Å²	24	54.9 Å²	54.9	11%	0.112	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	164.8	170.8	65.3	-171.1	150.2	0	0	112.4	N220 R225 F226 R227 Y264	E217-N220 PolarHBondContact OE1-ND2 2.98Å; E217-R225 IonicContact OE1-NE 3.81Å; E217-R225 IonicContact OE2-CZ 3.44Å; E217-R225 VanDerWaalsContact OE2-CZ 3.26Å; E217-R225 IonicContact OE2-NE 3.56Å; E217-R225 PolarHBondContact OE2-NE 3.03Å; E217-R225 IonicContact OE2-NH2 2.67Å; E217-R225 PolarHBondContact OE2-NH2 3.24Å; E217-F226 WeakPolarHBondContact OE1-CA 3.45Å; E217-R227 PolarHBondContact N-O 2.75Å; E217-R227 PolarHBondContact OE1-N 2.96Å; E217-Y264 PolarHBondContact O-OH 3Å
218	K	89.7	Confident	84.9	Confident	92 Å²	92	54.9 Å²	54.9	40%	0.4	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-65.1	148.8	171	-76.7	-178.1	180	175.5	0	110	E17 N18 N220	E17-K218 IonicContact OE2-NZ 3.58Å; E17-K218 PolarHBondContact OE2-NZ 3.48Å; N18-K218 WeakPolarHBondContact O-CE 3.49Å; N18-K218 PolarHBondContact O-NZ 3.39Å; K218-N220 PolarHBondContact O-N 2.76Å
219	P	89.3	Confident	85.2	Confident	38 Å²	38	54.6 Å²	54.6	25%	0.247	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-56.3	137.6	179.9	24.5	-34.8	0	0	0	111.1	Y264 E268 L273	P219-Y264 HydrophobicContact CB-CD1 3.72Å; P219-Y264 HydrophobicContact CB-CE1 3.75Å; P219-Y264 HydrophobicContact CB-CG 4.2Å; P219-Y264 HydrophobicContact CG-CD1 4.23Å; P219-Y264 HydrophobicContact CG-CE1 4.26Å; P219-E268 HydrophobicContact CB-CB 4.31Å; P219-E268 VanDerWaalsContact CB-O 3.23Å; P219-E268 WeakPolarHBondContact CB-O 3.39Å; P219-E268 HydrophobicContact CG-CB 4.18Å; P219-E268 HydrophobicContact CG-CG 4.4Å; P219-L273 HydrophobicContact CB-CD1 3.99Å
220	N	87.3	Confident	85.7	Confident	27 Å²	27	47.6 Å²	47.6	14%	0.144	23%	0.233	C	C	.	.			trans	-137.5	164.6	-172.2	69.8	58.8	0	0	0	110.7	E217 K218 D222 L273	E217-N220 PolarHBondContact OE1-ND2 2.98Å; K218-N220 PolarHBondContact O-N 2.76Å; N220-D222 PolarHBondContact OD1-N 2.92Å; N220-D222 PolarHBondContact OD1-O 3.28Å; N220-D222 VanDerWaalsContact OD1-O 3.08Å; N220-L273 WeakPolarHBondContact O-CD1 3.48Å
221	N	80.6	Confident	85.9	Confident	104 Å²	104	49 Å²	49	56%	0.556	24%	0.241	S	C	*	.	S	Bend	trans	-89.8	-2.5	-179.7	64.6	-40.7	0	0	0	114	L223 L273 N274	N221-L223 PolarHBondContact O-N 2.87Å; N221-L273 HydrophobicContact CB-CB 4.27Å; N221-N274 PolarHBondContact O-ND2 3.13Å; N221-N274 PolarHBondContact O-OD1 3.32Å
222	D	78.3	Confident	86.1	Confident	71 Å²	71	48 Å²	48	38%	0.38	23%	0.231	S	C	.	.			trans	-82.8	106.5	178	179.8	-12.6	0	0	0	109.6	N220 N224 R225 K270	N220-D222 PolarHBondContact OD1-N 2.92Å; N220-D222 PolarHBondContact OD1-O 3.28Å; N220-D222 VanDerWaalsContact OD1-O 3.08Å; D222-N224 VanDerWaalsContact C-N 3.25Å; D222-N224 PolarHBondContact O-N 2.83Å; D222-N224 PolarHBondContact OD1-N 3.07Å; D222-R225 HydrophobicContact CB-CB 3.95Å; D222-R225 VanDerWaalsContact CG-CB 3.41Å; D222-R225 PolarHBondContact O-N 3.49Å; D222-R225 PolarHBondContact OD1-N 3.13Å; D222-R225 WeakPolarHBondContact OD2-CB 3.27Å; D222-K270 PolarHBondContact O-NZ 2.9Å
223	L	79.4	Confident	85.7	Confident	52 Å²	52	57.8 Å²	57.8	27%	0.272	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-39.8	-179.8	-62	177.2	0	0	0	112.2	N221 L247 K270	N221-L223 PolarHBondContact O-N 2.87Å; L223-L247 HydrophobicContact CD2-CD1 4.26Å; L223-K270 HydrophobicContact CD2-CB 3.98Å; L223-K270 PolarHBondContact O-NZ 2.87Å
224	N	77.3	Confident	85.2	Confident	121 Å²	121	60.9 Å²	60.9	65%	0.647	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-22.5	-172.9	-72.3	-51.6	0	0	0	113.9	D222 K242	D222-N224 VanDerWaalsContact C-N 3.25Å; D222-N224 PolarHBondContact O-N 2.83Å; D222-N224 PolarHBondContact OD1-N 3.07Å; N224-K242 WeakPolarHBondContact O-CB 3.34Å; N224-K242 WeakPolarHBondContact O-CD 3.26Å
225	R	80.9	Confident	84.5	Confident	117 Å²	117	63.3 Å²	63.3	44%	0.442	31%	0.308	S	S	.	.			trans	-97.6	113.6	-176	177.3	-171.7	159.9	147.7	-1.6	112.7	E217 D222 K270	E217-R225 IonicContact OE1-NE 3.81Å; E217-R225 IonicContact OE2-CZ 3.44Å; E217-R225 VanDerWaalsContact OE2-CZ 3.26Å; E217-R225 IonicContact OE2-NE 3.56Å; E217-R225 PolarHBondContact OE2-NE 3.03Å; E217-R225 IonicContact OE2-NH2 2.67Å; E217-R225 PolarHBondContact OE2-NH2 3.24Å; D222-R225 HydrophobicContact CB-CB 3.95Å; D222-R225 VanDerWaalsContact CG-CB 3.41Å; D222-R225 PolarHBondContact O-N 3.49Å; D222-R225 PolarHBondContact OD1-N 3.13Å; D222-R225 WeakPolarHBondContact OD2-CB 3.27Å; R225-K270 PolarHBondContact O-NZ 2.85Å
226	F	87.8	Confident	84	Confident	5 Å²	5	66.7 Å²	66.7	2%	0.022	32%	0.319	C	S	.	.			trans	-138	130.1	163.9	179.3	-113.6	0	0	0	109	L165 C216 E217 L240 H241 L245 I263 Y264	L165-F226 HydrophobicContact CD1-CE1 4.12Å; C216-F226 HydrophobicContact CB-CE2 3.96Å; C216-F226 HydrophobicContact CB-CZ 4.06Å; E217-F226 WeakPolarHBondContact OE1-CA 3.45Å; F226-L240 HydrophobicContact CE1-CB 4.02Å; F226-H241 WeakPolarHBondContact O-CA 3.17Å; F226-L245 HydrophobicContact CB-CD2 4.06Å; F226-L245 HydrophobicContact CD1-CB 4.04Å; F226-L245 HydrophobicContact CD1-CD2 4.22Å; F226-L245 HydrophobicContact CD2-CD2 3.88Å; F226-L245 HydrophobicContact CE1-CB 4.38Å; F226-L245 HydrophobicContact CE1-CD1 4.29Å; F226-L245 HydrophobicContact CE2-CD1 4.46Å; F226-L245 HydrophobicContact CE2-CD2 4.34Å; F226-L245 HydrophobicContact CG-CB 4.41Å; F226-L245 HydrophobicContact CG-CD2 3.8Å; F226-L245 HydrophobicContact CZ-CD1 4.22Å; F226-I263 HydrophobicContact CE2-CG2 4.41Å; F226-I263 HydrophobicContact CZ-CG2 4.45Å; F226-Y264 HydrophobicContact CD2-CE2 4.22Å; F226-Y264 AromaticContact CE2-CE2 3.93Å; F226-Y264 HydrophobicContact CE2-CE2 3.93Å
227	R	86.1	Confident	83.6	Confident	107 Å²	107	73.4 Å²	73.4	40%	0.404	34%	0.344	S	S	.	.			trans	-134.9	133.9	177.5	-61.6	-174.2	-179.1	174	4.7	111.1	E217 L240 E821	E217-R227 PolarHBondContact N-O 2.75Å; E217-R227 PolarHBondContact OE1-N 2.96Å; R227-L240 WeakPolarHBondContact CA-O 3.48Å; R227-E821 IonicContact CZ-OE1 3Å; R227-E821 IonicContact CZ-OE2 3.56Å; R227-E821 IonicContact NE-OE1 2.85Å; R227-E821 IonicContact NH2-OE1 2.87Å; R227-E821 PolarHBondContact NH2-OE1 3.07Å; R227-E821 IonicContact NH2-OE2 2.7Å; R227-E821 PolarHBondContact NH2-OE2 3.37Å
228	G	87.6	Confident	83.2	Confident	4 Å²	4	73.1 Å²	73.1	4%	0.041	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.7	-169.4	176.3	0	0	0	0	0	113	E215 L240	E215-G228 CarbonylContact O-C 3.56Å; E215-G228 WeakPolarHBondContact O-CA 3.48Å; G228-L240 PolarHBondContact N-O 3.48Å; G228-L240 VanDerWaalsContact N-O 3.13Å; G228-L240 PolarHBondContact O-N 3.37Å
229	Y	87.4	Confident	82.9	Confident	59 Å²	59	70 Å²	70	23%	0.231	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	144	178.5	-50.3	-82.7	0	0	0	110.4	E215 D238 A239 I817	E215-Y229 PolarHBondContact N-O 2.97Å; E215-Y229 PolarHBondContact O-N 3.29Å; Y229-D238 CarbonylContact C-O 3.58Å; Y229-D238 VanDerWaalsContact CA-O 3.24Å; Y229-D238 WeakPolarHBondContact CA-O 3.42Å; Y229-A239 HydrophobicContact CD1-CB 4Å; Y229-A239 HydrophobicContact CE1-CB 3.97Å; Y229-I817 HydrophobicContact CE1-CB 4.48Å; Y229-I817 HydrophobicContact CE1-CG1 4.19Å; Y229-I817 HydrophobicContact CE1-CG2 3.96Å; Y229-I817 WeakPolarHBondContact OH-CG2 3.11Å; Y229-I817 PolarHBondContact OH-O 2.66Å
230	I	88.6	Confident	82.8	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	128.6	158.7	-56.8	-164.6	0	0	0	108.1	L165 L167 V195 F198 S212 I214 R237 D238 L240	L165-I230 HydrophobicContact CD2-CD1 4.07Å; L167-I230 HydrophobicContact CD2-CD1 4.44Å; V195-I230 HydrophobicContact CB-CD1 4.2Å; V195-I230 HydrophobicContact CG1-CD1 3.86Å; V195-I230 HydrophobicContact CG1-CG1 4.27Å; V195-I230 HydrophobicContact CG2-CD1 4.09Å; F198-I230 HydrophobicContact CE2-CD1 4.07Å; S212-I230 VanDerWaalsContact CB-CG2 3.5Å; I214-I230 HydrophobicContact CG1-CD1 4.5Å; I214-I230 HydrophobicContact CG1-CG1 4.25Å; I230-R237 VanDerWaalsContact O-CA 3.3Å; I230-R237 WeakPolarHBondContact O-CA 3.33Å; I230-D238 PolarHBondContact N-O 3.48Å; I230-D238 PolarHBondContact O-N 3Å; I230-L240 HydrophobicContact CD1-CD2 4.28Å; I230-L240 HydrophobicContact CG1-CD1 3.91Å; I230-L240 HydrophobicContact CG1-CD2 3.89Å; I230-L240 HydrophobicContact CG1-CG 4.13Å
231	I	86.8	Confident	82.7	Confident	39 Å²	39	68.4 Å²	68.4	20%	0.2	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	111.5	172.1	-50.9	179.3	0	0	0	107.4	S212 I213 R237	S212-I231 WeakPolarHBondContact CA-O 3.21Å; S212-I231 WeakPolarHBondContact CB-O 3.37Å; I213-I231 PolarHBondContact N-O 2.84Å; I213-I231 PolarHBondContact O-N 2.97Å; I231-R237 HydrophobicContact CG1-CG 4.31Å
232	H	84.4	Confident	82.9	Confident	27 Å²	27	68 Å²	68	13%	0.125	32%	0.316	C	S	.	.			trans	-83.7	163.4	-180	-67.1	-76.6	0	0	0	112.4	S197 S212 N234 G235 R236 D238	S197-H232 VanDerWaalsContact CB-CE1 3.46Å; S197-H232 WeakPolarHBondContact CB-CE1 3.46Å; S197-H232 WeakPolarHBondContact CB-NE2 3.23Å; S197-H232 PolarHBondContact OG-CE1 2.93Å; S197-H232 PolarHBondContact OG-NE2 3.5Å; S212-H232 PolarHBondContact OG-ND1 2.99Å; H232-N234 VanDerWaalsContact CB-OD1 3.23Å; H232-N234 WeakPolarHBondContact CB-OD1 3.25Å; H232-N234 PolarHBondContact O-N 2.88Å; H232-N234 VanDerWaalsContact O-N 3.12Å; H232-G235 PolarHBondContact O-N 3.01Å; H232-R236 HydrophobicContact CB-CB 4.48Å; H232-R236 PolarHBondContact N-O 2.82Å; H232-D238 IonicContact CD2-OD2 2.69Å; H232-D238 PolarHBondContact CD2-OD2 3.45Å; H232-D238 IonicContact NE2-OD2 3.41Å; H232-D238 PolarHBondContact NE2-OD2 3.12Å
233	R	78.8	Confident	83.3	Confident	217 Å²	217	67.3 Å²	67.3	82%	0.819	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-19.7	-177.4	-156.3	179.7	-170.3	171.2	2	114.2
234	N	77.9	Confident	83.8	Confident	126 Å²	126	65.3 Å²	65.3	67%	0.674	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	1.4	173.1	62.3	4.5	0	0	0	113.6	H232 R236	H232-N234 VanDerWaalsContact CB-OD1 3.23Å; H232-N234 WeakPolarHBondContact CB-OD1 3.25Å; H232-N234 PolarHBondContact O-N 2.88Å; H232-N234 VanDerWaalsContact O-N 3.12Å; N234-R236 VanDerWaalsContact C-N 3.32Å; N234-R236 PolarHBondContact O-N 2.93Å; N234-R236 WeakPolarHBondContact OD1-CB 3.4Å; N234-R236 PolarHBondContact OD1-N 2.99Å
235	G	75.9	Confident	84.6	Confident	51 Å²	51	59.7 Å²	59.7	53%	0.526	27%	0.27	S	S	.	.	S	Bend	trans	83.8	-5.7	-177.3	0	0	0	0	0	115.5	H232	H232-G235 PolarHBondContact O-N 3.01Å
236	R	80.6	Confident	85.2	Confident	118 Å²	118	54.1 Å²	54.1	45%	0.445	25%	0.249	S	C	.	.			trans	-59.8	139.8	172.9	-178.7	176.7	164.9	170.5	-5.3	109.7	H232 N234 D238	H232-R236 HydrophobicContact CB-CB 4.48Å; H232-R236 PolarHBondContact N-O 2.82Å; N234-R236 VanDerWaalsContact C-N 3.32Å; N234-R236 PolarHBondContact O-N 2.93Å; N234-R236 WeakPolarHBondContact OD1-CB 3.4Å; N234-R236 PolarHBondContact OD1-N 2.99Å; R236-D238 IonicContact CZ-OD1 3.81Å; R236-D238 VanDerWaalsContact CZ-OD1 3.25Å; R236-D238 IonicContact CZ-OD2 3.66Å; R236-D238 VanDerWaalsContact NE-CG 3.35Å; R236-D238 IonicContact NE-OD1 2.68Å; R236-D238 PolarHBondContact NE-OD1 3.31Å; R236-D238 IonicContact NE-OD2 2.7Å; R236-D238 PolarHBondContact NE-OD2 2.61Å; R236-D238 IonicContact NH2-OD1 3.96Å; R236-D238 PolarHBondContact NH2-OD1 3.4Å; R236-D238 IonicContact NH2-OD2 3.3Å
237	R	80.8	Confident	85.4	Confident	142 Å²	142	54.4 Å²	54.4	54%	0.536	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	120.1	175	-60.4	-171.7	-179.7	-140.3	-1.8	109.4	I230 I231	I230-R237 VanDerWaalsContact O-CA 3.3Å; I230-R237 WeakPolarHBondContact O-CA 3.33Å; I231-R237 HydrophobicContact CG1-CG 4.31Å
238	D	82	Confident	85.6	Confident	19 Å²	19	49.9 Å²	49.9	10%	0.102	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	133.2	175	-62.7	-74.2	0	0	0	109.2	S197 Y229 I230 H232 R236	S197-D238 WeakPolarHBondContact CB-OD2 3.42Å; S197-D238 PolarHBondContact OG-OD2 2.91Å; Y229-D238 CarbonylContact C-O 3.58Å; Y229-D238 VanDerWaalsContact CA-O 3.24Å; Y229-D238 WeakPolarHBondContact CA-O 3.42Å; I230-D238 PolarHBondContact N-O 3.48Å; I230-D238 PolarHBondContact O-N 3Å; H232-D238 IonicContact CD2-OD2 2.69Å; H232-D238 PolarHBondContact CD2-OD2 3.45Å; H232-D238 IonicContact NE2-OD2 3.41Å; H232-D238 PolarHBondContact NE2-OD2 3.12Å; R236-D238 IonicContact CZ-OD1 3.81Å; R236-D238 VanDerWaalsContact CZ-OD1 3.25Å; R236-D238 IonicContact CZ-OD2 3.66Å; R236-D238 VanDerWaalsContact NE-CG 3.35Å; R236-D238 IonicContact NE-OD1 2.68Å; R236-D238 PolarHBondContact NE-OD1 3.31Å; R236-D238 IonicContact NE-OD2 2.7Å; R236-D238 PolarHBondContact NE-OD2 2.61Å; R236-D238 IonicContact NH2-OD1 3.96Å; R236-D238 PolarHBondContact NH2-OD1 3.4Å; R236-D238 IonicContact NH2-OD2 3.3Å
239	A	82.7	Confident	85.5	Confident	26 Å²	26	50.5 Å²	50.5	22%	0.215	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	149.2	-171.9	0	0	0	0	0	113.2	Y229 H241	Y229-A239 HydrophobicContact CD1-CB 4Å; Y229-A239 HydrophobicContact CE1-CB 3.97Å; A239-H241 WeakPolarHBondContact CB-NE2 3.39Å
240	L	87.1	Confident	85.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	132.4	-178.6	-61.6	-177.3	0	0	0	111.6	L165 V195 I214 F226 R227 G228 I230	L165-L240 HydrophobicContact CD1-CD1 4.02Å; L165-L240 HydrophobicContact CD1-CD2 4Å; L165-L240 HydrophobicContact CD1-CG 4.48Å; L165-L240 HydrophobicContact CD2-CD1 3.72Å; L165-L240 HydrophobicContact CD2-CD2 4.16Å; V195-L240 HydrophobicContact CB-CD2 4.11Å; V195-L240 HydrophobicContact CG1-CD2 3.54Å; V195-L240 HydrophobicContact CG2-CD2 3.37Å; I214-L240 HydrophobicContact CG2-CD1 3.79Å; F226-L240 HydrophobicContact CE1-CB 4.02Å; R227-L240 WeakPolarHBondContact CA-O 3.48Å; G228-L240 PolarHBondContact N-O 3.48Å; G228-L240 VanDerWaalsContact N-O 3.13Å; G228-L240 PolarHBondContact O-N 3.37Å; I230-L240 HydrophobicContact CD1-CD2 4.28Å; I230-L240 HydrophobicContact CG1-CD1 3.91Å; I230-L240 HydrophobicContact CG1-CD2 3.89Å; I230-L240 HydrophobicContact CG1-CG 4.13Å
241	H	85.2	Confident	85.4	Confident	32 Å²	32	48.2 Å²	48.2	15%	0.148	23%	0.232	C	C	.	.			trans	-133.3	174.2	-173.4	-60.1	-77.7	0	0	0	111.7	F226 A239 E243 N244 R820	F226-H241 WeakPolarHBondContact O-CA 3.17Å; A239-H241 WeakPolarHBondContact CB-NE2 3.39Å; H241-E243 PolarHBondContact O-N 2.74Å; H241-E243 VanDerWaalsContact O-N 3.12Å; H241-N244 PolarHBondContact N-OD1 3.07Å; H241-N244 PolarHBondContact O-N 2.86Å; H241-N244 PolarHBondContact O-OD1 2.9Å; H241-R820 PolarHBondContact CD2-NH1 3.37Å; H241-R820 PolarHBondContact NE2-NH1 3.06Å
242	K	86.3	Confident	85.5	Confident	95 Å²	95	46.4 Å²	46.4	41%	0.413	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-53.1	-32.8	179	72.6	177.5	-173.5	173.7	0	113.1	R192 N224 N244 L245	R192-K242 PolarHBondContact NE-O 3.29Å; N224-K242 WeakPolarHBondContact O-CB 3.34Å; N224-K242 WeakPolarHBondContact O-CD 3.26Å; K242-N244 PolarHBondContact O-N 3.1Å; K242-L245 PolarHBondContact O-N 3.36Å
243	E	86.1	Confident	85.4	Confident	57 Å²	57	46.5 Å²	46.5	27%	0.266	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-62.9	-23.6	178.8	-70.8	101.6	-122.4	0	0	112.9	R192 Q193 H241 R820	R192-E243 CarbonylContact C-O 3.36Å; R192-E243 WeakPolarHBondContact CA-O 3.36Å; R192-E243 WeakPolarHBondContact CB-O 3.01Å; R192-E243 WeakPolarHBondContact CD-O 3.4Å; Q193-E243 PolarHBondContact N-O 2.53Å; H241-E243 PolarHBondContact O-N 2.74Å; H241-E243 VanDerWaalsContact O-N 3.12Å; E243-R820 IonicContact OE2-NH2 2.85Å
244	N	90.6	Very high	85.2	Confident	10 Å²	10	37.9 Å²	37.9	5%	0.053	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-92.7	-6.9	-179.5	-44.6	117.1	0	0	0	113.3	L165 L166 Q193 I194 V195 H241 K242	L165-N244 HydrophobicContact CD1-CB 3.7Å; L166-N244 PolarHBondContact N-O 3.09Å; Q193-N244 WeakPolarHBondContact O-CA 3.08Å; Q193-N244 PolarHBondContact O-ND2 3.25Å; I194-N244 PolarHBondContact O-ND2 2.9Å; I194-N244 VanDerWaalsContact O-ND2 3.17Å; V195-N244 HydrophobicContact CG2-CB 4.13Å; H241-N244 PolarHBondContact N-OD1 3.07Å; H241-N244 PolarHBondContact O-N 2.86Å; H241-N244 PolarHBondContact O-OD1 2.9Å; K242-N244 PolarHBondContact O-N 3.1Å
245	L	92.8	Very high	85.5	Confident	2 Å²	2	32 Å²	32	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	117.2	-172	-169.1	72.7	0	0	0	111.6	D163 R192 F226 K242 L247	D163-L245 HydrophobicContact CB-CD1 4.43Å; R192-L245 WeakPolarHBondContact CD-O 3.33Å; R192-L245 PolarHBondContact NE-O 3.39Å; F226-L245 HydrophobicContact CB-CD2 4.06Å; F226-L245 HydrophobicContact CD1-CB 4.04Å; F226-L245 HydrophobicContact CD1-CD2 4.22Å; F226-L245 HydrophobicContact CD2-CD2 3.88Å; F226-L245 HydrophobicContact CE1-CB 4.38Å; F226-L245 HydrophobicContact CE1-CD1 4.29Å; F226-L245 HydrophobicContact CE2-CD1 4.46Å; F226-L245 HydrophobicContact CE2-CD2 4.34Å; F226-L245 HydrophobicContact CG-CB 4.41Å; F226-L245 HydrophobicContact CG-CD2 3.8Å; F226-L245 HydrophobicContact CZ-CD1 4.22Å; K242-L245 PolarHBondContact O-N 3.36Å; L245-L247 HydrophobicContact CD2-CD2 3.6Å; L245-L247 HydrophobicContact CG-CD2 4.01Å
246	L	94	Very high	85.9	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	131.4	166.6	-45.9	-173.5	0	0	0	108.3	L154 L160 D163 I164 L166 I178 R192	L154-L246 HydrophobicContact CD1-CD1 3.85Å; L160-L246 HydrophobicContact CD1-CB 3.81Å; L160-L246 HydrophobicContact CD2-CB 3.51Å; L160-L246 HydrophobicContact CD2-CD1 3.88Å; L160-L246 HydrophobicContact CD2-CG 4.35Å; L160-L246 HydrophobicContact CG-CB 4.32Å; D163-L246 CarbonylContact C-O 3.56Å; D163-L246 WeakPolarHBondContact CA-O 3.06Å; I164-L246 HydrophobicContact CB-CB 4.41Å; I164-L246 PolarHBondContact N-O 3.22Å; I164-L246 PolarHBondContact O-N 3.33Å; L166-L246 HydrophobicContact CB-CD2 4.45Å; L166-L246 HydrophobicContact CB-CG 4.38Å; L166-L246 HydrophobicContact CD1-CD1 4.4Å; I178-L246 HydrophobicContact CG2-CD2 4.2Å; R192-L246 HydrophobicContact CB-CD2 3.76Å; R192-L246 HydrophobicContact CG-CD2 3.7Å
247	L	92.4	Very high	86.3	Confident	11 Å²	11	33 Å²	33	6%	0.058	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-101.6	142.9	-174.8	-62.9	178.5	0	0	0	111.8	L160 L183 L223 L245 G249 C250 K270	L160-L247 VanDerWaalsContact CB-O 3.28Å; L160-L247 WeakPolarHBondContact CB-O 3.49Å; L183-L247 HydrophobicContact CD1-CB 3.72Å; L183-L247 HydrophobicContact CD1-CD1 3.93Å; L183-L247 HydrophobicContact CD1-CG 4.5Å; L223-L247 HydrophobicContact CD2-CD1 4.26Å; L245-L247 HydrophobicContact CD2-CD2 3.6Å; L245-L247 HydrophobicContact CG-CD2 4.01Å; L247-G249 PolarHBondContact O-N 3.33Å; L247-C250 WeakPolarHBondContact O-CB 3.34Å; L247-C250 PolarHBondContact O-N 2.94Å; L247-K270 HydrophobicContact CD2-CB 4.41Å; L247-K270 HydrophobicContact CD2-CD 3.9Å; L247-K270 HydrophobicContact CD2-CG 4.2Å
248	R	90.9	Very high	86.8	Confident	12 Å²	12	26.3 Å²	26.3	5%	0.045	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	132.5	177.6	-179.1	172.2	178.7	137.5	5	111.2	N45 I47 W143 L160 P161 A162 D163 T269 A271	N45-R248 PolarHBondContact ND2-NH1 3.48Å; N45-R248 PolarHBondContact O-NH1 2.96Å; N45-R248 PolarHBondContact OD1-NH1 3.16Å; I47-R248 VanDerWaalsContact CD1-NH2 3.26Å; W143-R248 VanDerWaalsContact CE3-NH2 3.33Å; L160-R248 WeakPolarHBondContact O-CA 3.32Å; P161-R248 WeakPolarHBondContact O-CD 3.38Å; P161-R248 PolarHBondContact O-NE 2.91Å; P161-R248 PolarHBondContact O-NH1 2.54Å; A162-R248 PolarHBondContact O-N 2.98Å; D163-R248 PolarHBondContact OD1-N 3.4Å; R248-T269 HydrophobicContact CB-CG2 4.05Å; R248-A271 HydrophobicContact CB-CB 4.15Å; R248-A271 WeakPolarHBondContact O-CB 3.5Å
249	G	84.9	Confident	87.3	Confident	16 Å²	16	26.2 Å²	26.2	17%	0.165	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	-19.7	176.7	0	0	0	0	0	114.5	L160 T182 L247	L160-G249 PolarHBondContact O-N 3.27Å; T182-G249 WeakPolarHBondContact CB-O 3.18Å; T182-G249 WeakPolarHBondContact CG2-O 3.48Å; T182-G249 PolarHBondContact OG1-O 2.92Å; L247-G249 PolarHBondContact O-N 3.33Å
250	C	88.1	Confident	87.7	Confident	0 Å²	0	25 Å²	25	0%	0	12%	0.122	C	C	.	.			trans	-63.8	156.7	169.2	-59.9	0	0	0	0	110.4	L160 I178 E179 L183 L247	L160-C250 WeakPolarHBondContact CB-O 3.18Å; L160-C250 HydrophobicContact CD1-CB 3.7Å; L160-C250 PolarHBondContact N-O 2.98Å; I178-C250 HydrophobicContact CB-CB 4.25Å; I178-C250 HydrophobicContact CD1-CB 4.25Å; E179-C250 VanDerWaalsContact O-CA 3.28Å; E179-C250 WeakPolarHBondContact O-CA 3.49Å; E179-C250 WeakPolarHBondContact O-CB 3.2Å; L183-C250 WeakPolarHBondContact CD1-SG 3.18Å; L247-C250 WeakPolarHBondContact O-CB 3.34Å; L247-C250 PolarHBondContact O-N 2.94Å
251	T	85.8	Confident	88	Confident	12 Å²	12	25 Å²	25	7%	0.074	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	133.3	178.5	-52.6	0	0	0	0	110.2	N157 E158 I178 E179	N157-T251 WeakPolarHBondContact O-CG2 3.08Å; E158-T251 WeakPolarHBondContact O-CA 3.17Å; I178-T251 CarbonylContact C-O 3.47Å; I178-T251 WeakPolarHBondContact CA-O 3.23Å; E179-T251 PolarHBondContact N-O 2.87Å; E179-T251 PolarHBondContact O-N 3.01Å
252	V	88.3	Confident	88.5	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	133.6	174.2	-179.8	0	0	0	0	109.2	L154 N157 E158 L160	L154-V252 HydrophobicContact CB-CG2 4.14Å; L154-V252 HydrophobicContact CD1-CG2 4.12Å; N157-V252 WeakPolarHBondContact CA-O 3.31Å; N157-V252 PolarHBondContact N-O 2.97Å; E158-V252 PolarHBondContact O-N 2.97Å; L160-V252 HydrophobicContact CD1-CG2 4.49Å; L160-V252 HydrophobicContact CG-CG2 4.49Å
253	R	82.5	Confident	88.9	Confident	29 Å²	29	19 Å²	19	11%	0.109	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	156.9	178.6	-63.6	-65.6	-172.4	-146.2	-5.5	109.2	N157 H177 E179 L189 T255	N157-R253 PolarHBondContact OD1-NH1 3.17Å; H177-R253 WeakPolarHBondContact CB-O 3.22Å; H177-R253 PolarHBondContact O-N 2.73Å; H177-R253 VanDerWaalsContact O-O 3.13Å; E179-R253 HydrophobicContact CB-CG 4.06Å; E179-R253 IonicContact OE2-CZ 3.24Å; E179-R253 IonicContact OE2-NE 2.87Å; E179-R253 PolarHBondContact OE2-NE 2.63Å; E179-R253 IonicContact OE2-NH2 2.74Å; E179-R253 PolarHBondContact OE2-NH2 3.43Å; L189-R253 HydrophobicContact CD2-CB 3.74Å; L189-R253 HydrophobicContact CD2-CG 3.77Å; R253-T255 PolarHBondContact O-N 3.16Å; R253-T255 PolarHBondContact O-OG1 3.25Å
254	N	74.9	Confident	89.3	Confident	37 Å²	37	16.2 Å²	16.2	20%	0.198	8%	0.082	C	C	.	.	S	Bend	trans	53.4	4.8	173.7	-59.1	3.2	0	0	0	117	H177 E673	H177-N254 HydrophobicContact CB-CB 4.47Å; N254-E673 PolarHBondContact ND2-OE2 3.01Å
255	T	83.2	Confident	89.4	Confident	2 Å²	2	15.8 Å²	15.8	1%	0.012	8%	0.08	C	C	.	.			trans	-123.1	119.7	178	-55.9	0	0	0	0	107.3	C156 S169 C176 H177 R253 E257 A258	C156-T255 WeakPolarHBondContact CA-O 3.38Å; C156-T255 WeakPolarHBondContact CB-O 3.48Å; S169-T255 WeakPolarHBondContact OG-CG2 3.28Å; C176-T255 WeakPolarHBondContact CA-OG1 3.49Å; H177-T255 PolarHBondContact N-OG1 3.08Å; R253-T255 PolarHBondContact O-N 3.16Å; R253-T255 PolarHBondContact O-OG1 3.25Å; T255-E257 WeakPolarHBondContact CG2-O 3.21Å; T255-A258 HydrophobicContact CG2-CB 4.42Å
256	E	85.1	Confident	89.4	Confident	133 Å²	133	15.7 Å²	15.7	62%	0.621	8%	0.079	S	C	*	.	S	Bend	trans	-64.5	-45.2	-174.9	-59.4	-158	152	0	0	111.9	R155 C156 S170	R155-E256 CarbonylContact C-O 3.52Å; R155-E256 WeakPolarHBondContact CA-O 3.17Å; C156-E256 PolarHBondContact N-O 2.95Å; S170-E256 PolarHBondContact OG-N 3.49Å; S170-E256 VanDerWaalsContact OG-N 3.14Å
257	E	88.6	Confident	89.1	Confident	58 Å²	58	20 Å²	20	27%	0.271	10%	0.099	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	141.5	175.4	-58.6	-169.6	119.1	0	0	112.7	R153 L154 S170 T255	R153-E257 IonicContact CZ-OE1 3.84Å; R153-E257 VanDerWaalsContact CZ-OE1 3.26Å; R153-E257 IonicContact CZ-OE2 3.18Å; R153-E257 VanDerWaalsContact NE-CD 3.26Å; R153-E257 IonicContact NE-OE1 3.75Å; R153-E257 PolarHBondContact NE-OE1 3.37Å; R153-E257 IonicContact NE-OE2 2.7Å; R153-E257 PolarHBondContact NE-OE2 3.13Å; R153-E257 IonicContact NH2-OE1 3.73Å; R153-E257 PolarHBondContact NH2-OE1 3.25Å; R153-E257 IonicContact NH2-OE2 3.1Å; R153-E257 PolarHBondContact NH2-OE2 3.15Å; L154-E257 CarbonylContact O-C 3.1Å; L154-E257 VanDerWaalsContact O-CA 3.24Å; L154-E257 WeakPolarHBondContact O-CA 3.46Å; S170-E257 WeakPolarHBondContact CB-O 3.36Å; S170-E257 PolarHBondContact N-O 3.33Å; S170-E257 PolarHBondContact OG-N 2.91Å; S170-E257 PolarHBondContact OG-O 3.3Å; T255-E257 WeakPolarHBondContact CG2-O 3.21Å
258	A	91.1	Very high	89.1	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	132	173.8	0	0	0	0	0	110.7	R153 L154 L166 T255	R153-A258 WeakPolarHBondContact CA-O 3.45Å; L154-A258 PolarHBondContact N-O 2.96Å; L154-A258 PolarHBondContact O-N 3.11Å; L166-A258 HydrophobicContact CD1-CB 4.1Å; T255-A258 HydrophobicContact CG2-CB 4.42Å
259	V	91.9	Very high	89.1	Confident	17 Å²	17	20.9 Å²	20.9	10%	0.103	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	136.3	178.8	179.3	0	0	0	0	109.9	Y138 I152 R153 L167 T168 F205	Y138-V259 WeakPolarHBondContact OH-CG1 3.44Å; I152-V259 WeakPolarHBondContact O-CA 3.34Å; R153-V259 HydrophobicContact CB-CG2 4.31Å; R153-V259 HydrophobicContact CG-CG2 4.27Å; L167-V259 PolarHBondContact N-O 3.04Å; T168-V259 PolarHBondContact N-O 3.25Å; T168-V259 PolarHBondContact O-N 3.49Å; F205-V259 HydrophobicContact CD1-CG1 3.98Å; F205-V259 HydrophobicContact CE1-CG1 4.24Å
260	G	92.6	Very high	89.3	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	174.7	179.4	0	0	0	0	0	114.2	F151 I152 L165	F151-G260 WeakPolarHBondContact CA-O 3.28Å; I152-G260 PolarHBondContact N-O 2.88Å; I152-G260 PolarHBondContact O-N 2.86Å; L165-G260 CarbonylContact O-C 3.55Å; L165-G260 WeakPolarHBondContact O-CA 3.36Å
261	I	93.6	Very high	89.1	Confident	1 Å²	1	21 Å²	21	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	135.5	-179.2	-172.1	171.6	0	0	0	111.5	A25 D150 F151 I164 L165 L167 F210 I214 I263	A25-I261 HydrophobicContact CB-CD1 4.45Å; D150-I261 WeakPolarHBondContact O-CA 3.16Å; F151-I261 HydrophobicContact CD1-CB 4.14Å; F151-I261 HydrophobicContact CE1-CB 4.19Å; F151-I261 HydrophobicContact CE1-CD1 4.12Å; F151-I261 HydrophobicContact CE1-CG1 4.44Å; F151-I261 HydrophobicContact CE2-CD1 4.47Å; F151-I261 HydrophobicContact CZ-CD1 4.04Å; I164-I261 WeakPolarHBondContact CA-O 3.33Å; L165-I261 HydrophobicContact CB-CG2 3.97Å; L165-I261 HydrophobicContact CD2-CG2 4.39Å; L165-I261 PolarHBondContact N-O 3.4Å; L165-I261 PolarHBondContact O-N 3.01Å; L167-I261 HydrophobicContact CD1-CB 3.88Å; L167-I261 HydrophobicContact CD1-CG2 3.68Å; L167-I261 HydrophobicContact CD2-CG2 4.49Å; L167-I261 HydrophobicContact CG-CG2 4.15Å; F210-I261 HydrophobicContact CE1-CD1 4.4Å; I214-I261 HydrophobicContact CD1-CD1 4.21Å; I214-I261 HydrophobicContact CD1-CG2 3.57Å; I261-I263 HydrophobicContact CG2-CD1 4.21Å; I261-I263 PolarHBondContact O-N 3.41Å
262	V	95.3	Very high	89	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	121.4	-177.6	-179.8	0	0	0	0	111.2	R147 V148 G149 D150 I152 A162 I164 A265	R147-V262 WeakPolarHBondContact O-CB 3.39Å; V148-V262 HydrophobicContact CG2-CG1 4.47Å; G149-V262 PolarHBondContact N-O 2.79Å; D150-V262 HydrophobicContact CB-CG2 4.41Å; D150-V262 PolarHBondContact O-N 3.3Å; I152-V262 HydrophobicContact CD1-CG2 3.41Å; I152-V262 VanDerWaalsContact CD1-CG2 3.41Å; I152-V262 HydrophobicContact CG1-CG2 4.09Å; A162-V262 HydrophobicContact CB-CG1 3.87Å; A162-V262 HydrophobicContact CB-CG2 4.36Å; I164-V262 HydrophobicContact CG1-CG2 4.22Å; V262-A265 HydrophobicContact CG1-CB 4.34Å
263	I	94.4	Very high	88.8	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-49.7	178.2	-55.5	-55.5	0	0	0	111.6	R21 V23 V148 D163 L165 I214 F226 I261	R21-I263 VanDerWaalsContact CZ-O 3.32Å; R21-I263 PolarHBondContact NE-O 1.84Å; R21-I263 PolarHBondContact NH2-O 3.3Å; V23-I263 HydrophobicContact CG1-CD1 4.48Å; V148-I263 WeakPolarHBondContact CG1-O 3.35Å; D163-I263 PolarHBondContact O-N 3.48Å; L165-I263 HydrophobicContact CB-CD1 3.95Å; L165-I263 HydrophobicContact CB-CG1 3.74Å; L165-I263 HydrophobicContact CD2-CD1 4.49Å; I214-I263 HydrophobicContact CD1-CD1 3.93Å; I214-I263 HydrophobicContact CG2-CD1 4.07Å; F226-I263 HydrophobicContact CE2-CG2 4.41Å; F226-I263 HydrophobicContact CZ-CG2 4.45Å; I261-I263 HydrophobicContact CG2-CD1 4.21Å; I261-I263 PolarHBondContact O-N 3.41Å
264	Y	94.3	Very high	88.4	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142.9	176.6	-45.5	-64.6	0	0	0	110.7	D163 E217 P219 F226 T269	D163-Y264 HydrophobicContact CB-CD2 3.85Å; D163-Y264 HydrophobicContact CB-CG 4.43Å; D163-Y264 PolarHBondContact N-O 3.25Å; D163-Y264 VanDerWaalsContact N-O 3.11Å; D163-Y264 PolarHBondContact O-N 3.45Å; E217-Y264 PolarHBondContact O-OH 3Å; P219-Y264 HydrophobicContact CB-CD1 3.72Å; P219-Y264 HydrophobicContact CB-CE1 3.75Å; P219-Y264 HydrophobicContact CB-CG 4.2Å; P219-Y264 HydrophobicContact CG-CD1 4.23Å; P219-Y264 HydrophobicContact CG-CE1 4.26Å; F226-Y264 HydrophobicContact CD2-CE2 4.22Å; F226-Y264 AromaticContact CE2-CE2 3.93Å; F226-Y264 HydrophobicContact CE2-CE2 3.93Å; Y264-T269 WeakPolarHBondContact O-CG2 3.37Å
265	A	93.7	Very high	88.2	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.142	C	C	.	.			trans	-132.9	143	-172	0	0	0	0	0	111.7	N45 V148 V262 H267 E268	N45-A265 HydrophobicContact CB-CB 3.96Å; V148-A265 HydrophobicContact CG2-CB 3.82Å; V262-A265 HydrophobicContact CG1-CB 4.34Å; A265-H267 PolarHBondContact O-N 2.56Å; A265-E268 WeakPolarHBondContact O-CB 3.41Å; A265-E268 PolarHBondContact O-N 3.34Å
266	G	90.9	Very high	87	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	58.4	-124.6	173.6	0	0	0	0	0	111.8	N45 E268 T269 M272	N45-G266 PolarHBondContact OD1-N 3.3Å; G266-E268 PolarHBondContact O-N 2.93Å; G266-T269 WeakPolarHBondContact O-CB 3.48Å; G266-T269 PolarHBondContact O-N 3.28Å; G266-T269 VanDerWaalsContact O-N 3.13Å; G266-T269 PolarHBondContact O-OG1 3.44Å; G266-M272 WeakPolarHBondContact O-CG 3.2Å
267	H	88.7	Confident	85.6	Confident	91 Å²	91	28.6 Å²	28.6	42%	0.421	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-69.1	-10.3	179	-69.1	-80.9	0	0	0	114.6	K48 A265 L273	K48-H267 PolarHBondContact N-NE2 2.93Å; K48-H267 PolarHBondContact O-CE1 3.29Å; K48-H267 VanDerWaalsContact O-CE1 3.26Å; K48-H267 PolarHBondContact O-NE2 3.06Å; A265-H267 PolarHBondContact O-N 2.56Å; H267-L273 WeakPolarHBondContact O-CD2 3.39Å
268	E	91.9	Very high	83.8	Confident	42 Å²	42	30.4 Å²	30.4	20%	0.196	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-82.9	-12	170.5	-64.1	-173	122.7	0	0	113.1	R21 A43 P219 A265 G266	R21-E268 IonicContact CZ-OE1 3.19Å; R21-E268 IonicContact CZ-OE2 3.93Å; R21-E268 IonicContact NH1-OE1 3.9Å; R21-E268 PolarHBondContact NH1-OE1 2.8Å; R21-E268 IonicContact NH1-OE2 3.42Å; R21-E268 PolarHBondContact NH1-OE2 2.86Å; R21-E268 IonicContact NH2-OE1 2.7Å; R21-E268 IonicContact NH2-OE2 2.8Å; R21-E268 PolarHBondContact NH2-OE2 3.34Å; A43-E268 HydrophobicContact CB-CG 3.84Å; A43-E268 PolarHBondContact N-OE2 2.99Å; P219-E268 HydrophobicContact CB-CB 4.31Å; P219-E268 VanDerWaalsContact CB-O 3.23Å; P219-E268 WeakPolarHBondContact CB-O 3.39Å; P219-E268 HydrophobicContact CG-CB 4.18Å; P219-E268 HydrophobicContact CG-CG 4.4Å; A265-E268 WeakPolarHBondContact O-CB 3.41Å; A265-E268 PolarHBondContact O-N 3.34Å; G266-E268 PolarHBondContact O-N 2.93Å
269	T	91.2	Very high	82.2	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-68.5	145.2	179.3	58.7	0	0	0	0	111.7	D163 R248 Y264 G266 A271 M272 L273	D163-T269 HydrophobicContact CB-CG2 4.42Å; D163-T269 WeakPolarHBondContact OD2-CA 3.29Å; D163-T269 WeakPolarHBondContact OD2-CB 3.39Å; R248-T269 HydrophobicContact CB-CG2 4.05Å; Y264-T269 WeakPolarHBondContact O-CG2 3.37Å; G266-T269 WeakPolarHBondContact O-CB 3.48Å; G266-T269 PolarHBondContact O-N 3.28Å; G266-T269 VanDerWaalsContact O-N 3.13Å; G266-T269 PolarHBondContact O-OG1 3.44Å; T269-A271 PolarHBondContact O-N 2.78Å; T269-M272 PolarHBondContact O-N 2.88Å; T269-M272 WeakPolarHBondContact OG1-CG 3.39Å; T269-L273 PolarHBondContact O-N 2.84Å
270	K	88.3	Confident	80.7	Confident	1 Å²	1	42 Å²	42	0%	0.004	22%	0.216	C	C	.	.	H	α-helix	trans	-57.7	-34.3	179.3	-58.7	-159.4	-176.4	-173.5	0	112.8	D163 D222 L223 R225 L247 M272 L273 N274	D163-K270 PolarHBondContact OD2-N 2.67Å; D222-K270 PolarHBondContact O-NZ 2.9Å; L223-K270 HydrophobicContact CD2-CB 3.98Å; L223-K270 PolarHBondContact O-NZ 2.87Å; R225-K270 PolarHBondContact O-NZ 2.85Å; L247-K270 HydrophobicContact CD2-CB 4.41Å; L247-K270 HydrophobicContact CD2-CD 3.9Å; L247-K270 HydrophobicContact CD2-CG 4.2Å; K270-M272 VanDerWaalsContact C-N 3.34Å; K270-L273 PolarHBondContact O-N 2.72Å; K270-N274 PolarHBondContact O-N 2.88Å; K270-N274 VanDerWaalsContact O-N 3.16Å; K270-N274 PolarHBondContact O-ND2 3.24Å
271	A	83.9	Confident	79.7	Confident	19 Å²	19	48.5 Å²	48.5	16%	0.157	25%	0.245	C	C	.	.	H	α-helix	trans	-58.2	-45.3	173.9	0	0	0	0	0	111.7	L183 R248 T269 N275	L183-A271 HydrophobicContact CD2-CB 3.63Å; R248-A271 HydrophobicContact CB-CB 4.15Å; R248-A271 WeakPolarHBondContact O-CB 3.5Å; T269-A271 PolarHBondContact O-N 2.78Å; A271-N275 PolarHBondContact O-N 3.02Å
272	M	84.6	Confident	78.8	Confident	26 Å²	26	53.7 Å²	53.7	13%	0.128	26%	0.264	C	S	.	.	H	α-helix	trans	-79.5	-29.5	179.6	-70.4	-56.8	-60.6	0	0	113.6	I47 G266 T269 K270 N274 N275	I47-M272 HydrophobicContact CD1-CE 4.33Å; I47-M272 HydrophobicContact CD1-CG 3.91Å; I47-M272 HydrophobicContact CD1-SD 3.63Å; I47-M272 HydrophobicContact CG1-CG 4.47Å; I47-M272 HydrophobicContact CG1-SD 4.47Å; I47-M272 HydrophobicContact CG2-CE 4.37Å; G266-M272 WeakPolarHBondContact O-CG 3.2Å; T269-M272 PolarHBondContact O-N 2.88Å; T269-M272 WeakPolarHBondContact OG1-CG 3.39Å; K270-M272 VanDerWaalsContact C-N 3.34Å; M272-N274 VanDerWaalsContact C-N 3.27Å; M272-N274 PolarHBondContact O-N 2.87Å; M272-N275 HydrophobicContact CE-CB 4.37Å; M272-N275 PolarHBondContact O-N 3.22Å; M272-N275 HydrophobicContact SD-CB 4.24Å
273	L	83.7	Confident	78.3	Confident	66 Å²	66	53.7 Å²	53.7	35%	0.346	26%	0.264	S	S	.	.	H	α-helix	trans	-68	-24.9	172.8	-70.1	179.8	0	0	0	113.4	P219 N220 N221 H267 T269 K270	P219-L273 HydrophobicContact CB-CD1 3.99Å; N220-L273 WeakPolarHBondContact O-CD1 3.48Å; N221-L273 HydrophobicContact CB-CB 4.27Å; H267-L273 WeakPolarHBondContact O-CD2 3.39Å; T269-L273 PolarHBondContact O-N 2.84Å; K270-L273 PolarHBondContact O-N 2.72Å
274	N	74.3	Confident	77.8	Confident	54 Å²	54	58.4 Å²	58.4	29%	0.289	29%	0.285	S	S	.	.	H	α-helix	trans	-85.9	-23.8	170	-75.7	-72.4	0	0	0	113.1	N221 K270 M272 N276	N221-N274 PolarHBondContact O-ND2 3.13Å; N221-N274 PolarHBondContact O-OD1 3.32Å; K270-N274 PolarHBondContact O-N 2.88Å; K270-N274 VanDerWaalsContact O-N 3.16Å; K270-N274 PolarHBondContact O-ND2 3.24Å; M272-N274 VanDerWaalsContact C-N 3.27Å; M272-N274 PolarHBondContact O-N 2.87Å; N274-N276 VanDerWaalsContact C-N 3.27Å; N274-N276 PolarHBondContact O-N 2.99Å; N274-N276 PolarHBondContact O-ND2 2.78Å; N274-N276 VanDerWaalsContact O-ND2 3.07Å
275	N	72	Confident	77.4	Confident	81 Å²	81	62 Å²	62	43%	0.433	30%	0.303	S	S	.	.			trans	-73.5	77.4	174	-172.4	2.1	0	0	0	111.5	A271 M272 G277	A271-N275 PolarHBondContact O-N 3.02Å; M272-N275 HydrophobicContact CE-CB 4.37Å; M272-N275 PolarHBondContact O-N 3.22Å; M272-N275 HydrophobicContact SD-CB 4.24Å; N275-G277 PolarHBondContact O-N 3.01Å; N275-G277 PolarHBondContact OD1-N 2.85Å
276	N	56.7	Low	76.8	Confident	110 Å²	110	63 Å²	63	59%	0.588	31%	0.308	S	S	*	.			trans	-63.9	-2.1	176	-77	-86.9	0	0	0	114.2	N274	N274-N276 VanDerWaalsContact C-N 3.27Å; N274-N276 PolarHBondContact O-N 2.99Å; N274-N276 PolarHBondContact O-ND2 2.78Å; N274-N276 VanDerWaalsContact O-ND2 3.07Å
277	G	55.6	Low	76.4	Confident	34 Å²	34	70.5 Å²	70.5	35%	0.351	34%	0.337	S	S	.	.			trans	70.8	168.4	-175.2	0	0	0	0	0	113.7	N275 R279	N275-G277 PolarHBondContact O-N 3.01Å; N275-G277 PolarHBondContact OD1-N 2.85Å; G277-R279 PolarHBondContact O-N 3.32Å
278	P	51	Low	76.3	Confident	96 Å²	96	71 Å²	71	62%	0.623	34%	0.339	S	S	*	.			trans	-68.6	102.3	178.1	27.6	-33.9	0	0	0	110.8	Y280	P278-Y280 PolarHBondContact O-N 3.48Å
279	R	57.1	Low	75.8	Confident	143 Å²	143	70 Å²	70	54%	0.54	33%	0.334	S	S	.	.			trans	-58.6	131.4	169.7	-69.7	-179.9	174.1	169.2	1	110	G277 K281 V1026	G277-R279 PolarHBondContact O-N 3.32Å; R279-K281 PolarHBondContact O-N 2.97Å; R279-V1026 PolarHBondContact NH1-O 3.47Å; R279-V1026 VanDerWaalsContact NH1-O 3.15Å
280	Y	61.3	Low	75.4	Confident	118 Å²	118	72.2 Å²	72.2	46%	0.463	35%	0.346	S	S	.	.			trans	-67.9	96.3	176.7	-176.4	-100.6	0	0	0	110.4	R68 P278 R282 E286 N396	R68-Y280 PolarHBondContact NH2-OH 2.7Å; P278-Y280 PolarHBondContact O-N 3.48Å; Y280-R282 HydrophobicContact CD1-CG 3.68Å; Y280-R282 HydrophobicContact CE1-CG 3.33Å; Y280-E286 PolarHBondContact OH-OE1 2.98Å; Y280-N396 VanDerWaalsContact CE2-ND2 3.34Å; Y280-N396 WeakPolarHBondContact CE2-ND2 3.23Å
281	K	71.3	Confident	75.3	Confident	136 Å²	136	75.5 Å²	75.5	59%	0.591	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-74.7	124.3	171.8	-64.1	-177.1	178	-177.2	0	108.8	R279 I397	R279-K281 PolarHBondContact O-N 2.97Å; K281-I397 HydrophobicContact CB-CD1 4.37Å; K281-I397 HydrophobicContact CB-CG2 3.88Å; K281-I397 HydrophobicContact CD-CD1 3.75Å
282	R	75.8	Confident	75.5	Confident	111 Å²	111	78 Å²	78	42%	0.419	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-98.6	123.6	173.7	-73.3	-174.6	-172.1	-172.5	-1.2	110.4	Y280 E286 R287	Y280-R282 HydrophobicContact CD1-CG 3.68Å; Y280-R282 HydrophobicContact CE1-CG 3.33Å; R282-E286 VanDerWaalsContact CA-OE2 3.23Å; R282-E286 WeakPolarHBondContact CA-OE2 3.49Å; R282-E286 WeakPolarHBondContact CB-OE2 3.06Å; R282-R287 PolarHBondContact O-NE 2.77Å; R282-R287 PolarHBondContact O-NH2 3.26Å; R282-R287 VanDerWaalsContact O-NH2 3.16Å
283	S	83.3	Confident	75.5	Confident	0 Å²	0	77.6 Å²	77.6	0%	0	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-66.9	163	-178.8	76	0	0	0	0	112.3	L285 E286 R287 K368 E399 D400	S283-L285 VanDerWaalsContact C-N 3.34Å; S283-E286 PolarHBondContact N-OE2 3.09Å; S283-E286 WeakPolarHBondContact OG-CB 3.36Å; S283-E286 PolarHBondContact OG-N 3.43Å; S283-E286 VanDerWaalsContact OG-N 3.09Å; S283-R287 WeakPolarHBondContact O-CG 3.32Å; S283-R287 PolarHBondContact O-N 3.26Å; S283-K368 PolarHBondContact OG-NZ 2.72Å; S283-E399 WeakPolarHBondContact CB-OE1 3.36Å; S283-E399 PolarHBondContact OG-OE1 3.38Å; S283-D400 WeakPolarHBondContact CA-OD2 3.46Å; S283-D400 WeakPolarHBondContact CB-OD1 3.43Å
284	K	84.8	Confident	75.6	Confident	98 Å²	98	81.2 Å²	81.2	43%	0.426	39%	0.389	S	S	.	.	H	α-helix	trans	-68.9	-36	176.5	-174.9	168.7	156.6	-150.9	0	111.6	R287 Q288 D400 M1013	K284-R287 PolarHBondContact O-N 2.68Å; K284-Q288 PolarHBondContact O-N 3.33Å; K284-D400 PolarHBondContact N-OD1 2.92Å; K284-M1013 HydrophobicContact CB-CE 4.26Å; K284-M1013 HydrophobicContact CB-SD 4.13Å; K284-M1013 HydrophobicContact CD-CG 4.13Å; K284-M1013 HydrophobicContact CD-SD 3.88Å
285	L	85	Confident	76.4	Confident	75 Å²	75	85.6 Å²	85.6	39%	0.393	40%	0.402	S	S	.	.	H	α-helix	trans	-65	-42.8	175.7	-176.5	63.5	0	0	0	112.3	S283 R287 Q288 M289 E399	S283-L285 VanDerWaalsContact C-N 3.34Å; L285-R287 PolarHBondContact O-N 3.4Å; L285-Q288 PolarHBondContact O-N 2.82Å; L285-M289 WeakPolarHBondContact O-CB 3.47Å; L285-M289 PolarHBondContact O-N 3.41Å; L285-E399 HydrophobicContact CB-CG 4.12Å; L285-E399 WeakPolarHBondContact CB-OE1 3.35Å; L285-E399 HydrophobicContact CD2-CG 4.23Å
286	E	80.9	Confident	77.2	Confident	23 Å²	23	83.4 Å²	83.4	11%	0.107	39%	0.393	C	S	.	.	H	α-helix	trans	-56.5	-38.4	174.3	-178.3	-174.8	-178.6	0	0	111.1	Y280 R282 S283 N290	Y280-E286 PolarHBondContact OH-OE1 2.98Å; R282-E286 VanDerWaalsContact CA-OE2 3.23Å; R282-E286 WeakPolarHBondContact CA-OE2 3.49Å; R282-E286 WeakPolarHBondContact CB-OE2 3.06Å; S283-E286 PolarHBondContact N-OE2 3.09Å; S283-E286 WeakPolarHBondContact OG-CB 3.36Å; S283-E286 PolarHBondContact OG-N 3.43Å; S283-E286 VanDerWaalsContact OG-N 3.09Å; E286-N290 PolarHBondContact O-N 2.83Å; E286-N290 PolarHBondContact O-ND2 3.21Å
287	R	83.4	Confident	78.6	Confident	157 Å²	157	79.4 Å²	79.4	59%	0.592	38%	0.375	S	S	*	.	H	α-helix	trans	-71.8	-45.5	177.4	-63.3	175.3	-157.5	-153.6	5.9	112.5	R282 S283 K284 L285 N290 V291	R282-R287 PolarHBondContact O-NE 2.77Å; R282-R287 PolarHBondContact O-NH2 3.26Å; R282-R287 VanDerWaalsContact O-NH2 3.16Å; S283-R287 WeakPolarHBondContact O-CG 3.32Å; S283-R287 PolarHBondContact O-N 3.26Å; K284-R287 PolarHBondContact O-N 2.68Å; L285-R287 PolarHBondContact O-N 3.4Å; R287-N290 PolarHBondContact O-N 3.38Å; R287-V291 PolarHBondContact O-N 2.93Å
288	Q	85.3	Confident	80.3	Confident	101 Å²	101	83 Å²	83	47%	0.472	38%	0.381	S	S	.	.	H	α-helix	trans	-61.3	-47.6	-180	-173.6	57.4	46.1	0	0	111	K284 L285 N290 V291 D292	K284-Q288 PolarHBondContact O-N 3.33Å; L285-Q288 PolarHBondContact O-N 2.82Å; Q288-N290 VanDerWaalsContact C-N 3.25Å; Q288-N290 PolarHBondContact O-N 2.98Å; Q288-V291 WeakPolarHBondContact O-CA 3.24Å; Q288-V291 WeakPolarHBondContact O-CB 3.46Å; Q288-V291 PolarHBondContact O-N 3.39Å; Q288-D292 PolarHBondContact NE2-OD1 2.9Å; Q288-D292 VanDerWaalsContact O-CG 3.27Å; Q288-D292 PolarHBondContact O-N 2.83Å
289	M	83.3	Confident	82.3	Confident	20 Å²	20	82.3 Å²	82.3	10%	0.099	37%	0.371	C	S	.	.	H	α-helix	trans	-55.7	-36	176.6	178.5	175.7	54.4	0	0	113.1	L285 V291 D292 V293 L360 F361 I364	L285-M289 WeakPolarHBondContact O-CB 3.47Å; L285-M289 PolarHBondContact O-N 3.41Å; M289-V291 VanDerWaalsContact C-N 3.33Å; M289-V291 PolarHBondContact O-N 3.37Å; M289-D292 PolarHBondContact O-N 2.87Å; M289-V293 HydrophobicContact CG-CG2 4.46Å; M289-V293 WeakPolarHBondContact O-CB 3.45Å; M289-V293 VanDerWaalsContact O-CG2 3.22Å; M289-V293 WeakPolarHBondContact O-CG2 3.45Å; M289-V293 PolarHBondContact O-N 3.12Å; M289-L360 HydrophobicContact CG-CD2 4.26Å; M289-L360 HydrophobicContact SD-CD2 3.88Å; M289-L360 HydrophobicContact SD-CG 4.05Å; M289-F361 HydrophobicContact CE-CD1 3.7Å; M289-F361 HydrophobicContact CE-CE1 3.45Å; M289-F361 VanDerWaalsContact CE-CE1 3.45Å; M289-F361 HydrophobicContact CE-CZ 4.23Å; M289-F361 HydrophobicContact CG-CE1 4.23Å; M289-F361 HydrophobicContact CG-CZ 4.09Å; M289-F361 HydrophobicContact SD-CD1 3.99Å; M289-F361 HydrophobicContact SD-CE1 3.66Å; M289-F361 HydrophobicContact SD-CE2 4.39Å; M289-F361 HydrophobicContact SD-CZ 3.86Å; M289-I364 HydrophobicContact CE-CD1 4.24Å; M289-I364 HydrophobicContact SD-CD1 3.66Å
290	N	82.3	Confident	83.9	Confident	47 Å²	47	75.7 Å²	75.7	25%	0.251	35%	0.347	S	S	.	.	H	α-helix	trans	-68.9	-29.3	175	-81.3	-82.2	0	0	0	112.9	E286 R287 Q288 F294	E286-N290 PolarHBondContact O-N 2.83Å; E286-N290 PolarHBondContact O-ND2 3.21Å; R287-N290 PolarHBondContact O-N 3.38Å; Q288-N290 VanDerWaalsContact C-N 3.25Å; Q288-N290 PolarHBondContact O-N 2.98Å; N290-F294 PolarHBondContact O-N 2.91Å
291	V	86.5	Confident	85.4	Confident	70 Å²	70	74.3 Å²	74.3	42%	0.424	35%	0.347	S	S	.	.	H	α-helix	trans	-75.5	-42.7	173.7	177.1	0	0	0	0	110.6	R287 Q288 M289 V293 F294 W295	R287-V291 PolarHBondContact O-N 2.93Å; Q288-V291 WeakPolarHBondContact O-CA 3.24Å; Q288-V291 WeakPolarHBondContact O-CB 3.46Å; Q288-V291 PolarHBondContact O-N 3.39Å; M289-V291 VanDerWaalsContact C-N 3.33Å; M289-V291 PolarHBondContact O-N 3.37Å; V291-V293 VanDerWaalsContact C-N 3.34Å; V291-V293 PolarHBondContact O-N 2.9Å; V291-F294 WeakPolarHBondContact O-CB 3.34Å; V291-F294 PolarHBondContact O-N 3.43Å; V291-F294 VanDerWaalsContact O-N 3.15Å; V291-W295 VanDerWaalsContact O-CD1 3.29Å; V291-W295 PolarHBondContact O-N 3.33Å
292	D	87	Confident	86.5	Confident	71 Å²	71	71.4 Å²	71.4	38%	0.38	34%	0.34	S	S	.	.	H	α-helix	trans	-64.6	-40.1	179	-54.4	-31.3	0	0	0	111.2	Q288 M289 F294 W295 C296	Q288-D292 PolarHBondContact NE2-OD1 2.9Å; Q288-D292 VanDerWaalsContact O-CG 3.27Å; Q288-D292 PolarHBondContact O-N 2.83Å; M289-D292 PolarHBondContact O-N 2.87Å; D292-F294 VanDerWaalsContact C-N 3.33Å; D292-F294 PolarHBondContact O-N 2.88Å; D292-W295 PolarHBondContact O-N 3.26Å; D292-C296 PolarHBondContact O-N 3.01Å; D292-C296 PolarHBondContact O-SG 3.41Å
293	V	84.2	Confident	87.3	Confident	18 Å²	18	69.8 Å²	69.8	11%	0.109	34%	0.34	C	S	.	.	H	α-helix	trans	-64.2	-35.1	173.3	166.6	0	0	0	0	112.2	M289 V291 C296 A297 I356 F361	M289-V293 HydrophobicContact CG-CG2 4.46Å; M289-V293 WeakPolarHBondContact O-CB 3.45Å; M289-V293 VanDerWaalsContact O-CG2 3.22Å; M289-V293 WeakPolarHBondContact O-CG2 3.45Å; M289-V293 PolarHBondContact O-N 3.12Å; V291-V293 VanDerWaalsContact C-N 3.34Å; V291-V293 PolarHBondContact O-N 2.9Å; V293-C296 PolarHBondContact O-N 3.23Å; V293-A297 WeakPolarHBondContact O-CB 3.41Å; V293-A297 PolarHBondContact O-N 3.38Å; V293-I356 HydrophobicContact CG1-CD1 4.26Å; V293-I356 HydrophobicContact CG1-CG2 4.09Å; V293-I356 HydrophobicContact CG2-CG2 4.25Å; V293-F361 HydrophobicContact CG2-CE2 4.44Å; V293-F361 HydrophobicContact CG2-CZ 4.13Å
294	F	86.1	Confident	87.8	Confident	142 Å²	142	69.8 Å²	69.8	62%	0.623	34%	0.34	S	S	*	.	H	α-helix	trans	-65.6	-41.7	173	-179.3	-92.7	0	0	0	111.7	N290 V291 D292 A297 F298	N290-F294 PolarHBondContact O-N 2.91Å; V291-F294 WeakPolarHBondContact O-CB 3.34Å; V291-F294 PolarHBondContact O-N 3.43Å; V291-F294 VanDerWaalsContact O-N 3.15Å; D292-F294 VanDerWaalsContact C-N 3.33Å; D292-F294 PolarHBondContact O-N 2.88Å; F294-A297 PolarHBondContact O-N 2.99Å; F294-F298 PolarHBondContact O-N 3.44Å
295	W	90.6	Very high	88.3	Confident	146 Å²	146	70 Å²	70	55%	0.553	34%	0.344	S	S	*	.	H	α-helix	trans	-64.4	-39.9	173	-75.4	116	0	0	0	112.8	V291 D292 A297 F298 I299	V291-W295 VanDerWaalsContact O-CD1 3.29Å; V291-W295 PolarHBondContact O-N 3.33Å; D292-W295 PolarHBondContact O-N 3.26Å; W295-A297 VanDerWaalsContact C-N 3.33Å; W295-A297 PolarHBondContact O-N 3.44Å; W295-F298 HydrophobicContact CE3-CD1 4.25Å; W295-F298 HydrophobicContact CZ3-CD1 4.26Å; W295-F298 PolarHBondContact O-N 2.98Å; W295-I299 VanDerWaalsContact O-CG1 3.32Å; W295-I299 WeakPolarHBondContact O-CG1 3.39Å; W295-I299 PolarHBondContact O-N 3Å
296	C	89.1	Confident	88.8	Confident	36 Å²	36	74 Å²	74	24%	0.243	36%	0.359	C	S	.	.	H	α-helix	trans	-62.4	-40.1	173.9	-64.5	0	0	0	0	111.7	D292 V293 F298 I299 L300 L355 I356	D292-C296 PolarHBondContact O-N 3.01Å; D292-C296 PolarHBondContact O-SG 3.41Å; V293-C296 PolarHBondContact O-N 3.23Å; C296-F298 VanDerWaalsContact C-N 3.35Å; C296-I299 PolarHBondContact O-N 3.3Å; C296-L300 VanDerWaalsContact O-CB 3.31Å; C296-L300 WeakPolarHBondContact O-CB 3.38Å; C296-L300 PolarHBondContact O-N 2.72Å; C296-L355 HydrophobicContact CB-CG 4.38Å; C296-L355 WeakPolarHBondContact O-CD2 3.27Å; C296-I356 HydrophobicContact CB-CD1 4.04Å; C296-I356 HydrophobicContact CB-CG1 3.59Å
297	A	87.1	Confident	89.3	Confident	26 Å²	26	75.2 Å²	75.2	22%	0.215	37%	0.368	C	S	.	.	H	α-helix	trans	-66.9	-34.3	175.2	0	0	0	0	0	112.6	V293 F294 W295 L301 I356	V293-A297 WeakPolarHBondContact O-CB 3.41Å; V293-A297 PolarHBondContact O-N 3.38Å; F294-A297 PolarHBondContact O-N 2.99Å; W295-A297 VanDerWaalsContact C-N 3.33Å; W295-A297 PolarHBondContact O-N 3.44Å; A297-L301 WeakPolarHBondContact O-CG 3.43Å; A297-L301 PolarHBondContact O-N 2.73Å; A297-L301 VanDerWaalsContact O-N 3.13Å; A297-I356 HydrophobicContact CB-CD1 4.09Å
298	F	91.4	Very high	89.7	Confident	109 Å²	109	67.9 Å²	67.9	48%	0.478	34%	0.341	S	S	.	.	H	α-helix	trans	-66.7	-46.7	172.1	179.8	-99.6	0	0	0	111.9	F294 W295 C296 L300 L301 V302	F294-F298 PolarHBondContact O-N 3.44Å; W295-F298 HydrophobicContact CE3-CD1 4.25Å; W295-F298 HydrophobicContact CZ3-CD1 4.26Å; W295-F298 PolarHBondContact O-N 2.98Å; C296-F298 VanDerWaalsContact C-N 3.35Å; F298-L300 VanDerWaalsContact C-N 3.33Å; F298-L300 PolarHBondContact O-N 3.39Å; F298-L301 PolarHBondContact O-N 3.38Å; F298-V302 HydrophobicContact CD1-CG2 4.42Å; F298-V302 HydrophobicContact CE1-CG2 4.01Å; F298-V302 HydrophobicContact CE2-CG2 4.48Å; F298-V302 HydrophobicContact CZ-CG2 4.04Å; F298-V302 WeakPolarHBondContact O-CG2 3.49Å; F298-V302 PolarHBondContact O-N 2.94Å
299	I	92.8	Very high	90	Very high	82 Å²	82	66.7 Å²	66.7	42%	0.421	34%	0.34	S	S	.	.	H	α-helix	trans	-60.6	-42.8	176.4	-68.2	164.2	0	0	0	110.8	W295 C296 L301 V302 L303 L355	W295-I299 VanDerWaalsContact O-CG1 3.32Å; W295-I299 WeakPolarHBondContact O-CG1 3.39Å; W295-I299 PolarHBondContact O-N 3Å; C296-I299 PolarHBondContact O-N 3.3Å; I299-L301 PolarHBondContact O-N 2.93Å; I299-V302 PolarHBondContact O-N 3.05Å; I299-L303 HydrophobicContact CG2-CD1 3.91Å; I299-L303 HydrophobicContact CG2-CG 4.36Å; I299-L303 WeakPolarHBondContact O-CG 3.47Å; I299-L303 PolarHBondContact O-N 2.84Å; I299-L355 HydrophobicContact CB-CD2 4.32Å; I299-L355 HydrophobicContact CG2-CD2 4.02Å
300	L	91.4	Very high	90.3	Very high	4 Å²	4	67.5 Å²	67.5	2%	0.021	35%	0.354	C	S	.	.	H	α-helix	trans	-53.6	-52.3	173.5	176.4	62.7	0	0	0	111.5	Y73 C296 F298 V302 L303 C304 F352 L355	Y73-L300 HydrophobicContact CE2-CD2 3.95Å; Y73-L300 VanDerWaalsContact OH-CD2 3.27Å; Y73-L300 WeakPolarHBondContact OH-CD2 3.35Å; C296-L300 VanDerWaalsContact O-CB 3.31Å; C296-L300 WeakPolarHBondContact O-CB 3.38Å; C296-L300 PolarHBondContact O-N 2.72Å; F298-L300 VanDerWaalsContact C-N 3.33Å; F298-L300 PolarHBondContact O-N 3.39Å; L300-V302 VanDerWaalsContact C-N 3.33Å; L300-V302 PolarHBondContact O-N 3.1Å; L300-L303 PolarHBondContact O-N 3.15Å; L300-C304 WeakPolarHBondContact O-CB 3.32Å; L300-C304 PolarHBondContact O-N 3.44Å; L300-C304 PolarHBondContact O-SG 3.44Å; L300-F352 HydrophobicContact CD1-CB 3.38Å; L300-L355 HydrophobicContact CB-CD2 4.16Å
301	L	91.6	Very high	90.5	Very high	88 Å²	88	67.2 Å²	67.2	46%	0.461	35%	0.351	S	S	.	.	H	α-helix	trans	-61.7	-38.5	179.5	-71.4	170.1	0	0	0	112.7	A297 F298 I299 L305 F345 I349	A297-L301 WeakPolarHBondContact O-CG 3.43Å; A297-L301 PolarHBondContact O-N 2.73Å; A297-L301 VanDerWaalsContact O-N 3.13Å; F298-L301 PolarHBondContact O-N 3.38Å; I299-L301 PolarHBondContact O-N 2.93Å; L301-L305 VanDerWaalsContact O-CB 3.24Å; L301-L305 WeakPolarHBondContact O-CB 3.44Å; L301-L305 PolarHBondContact O-N 2.8Å; L301-F345 HydrophobicContact CD2-CZ 4.03Å; L301-I349 HydrophobicContact CD2-CD1 4.1Å
302	V	94.8	Very high	90.4	Very high	75 Å²	75	64.6 Å²	64.6	46%	0.455	34%	0.338	S	S	.	.	H	α-helix	trans	-66.2	-42.9	176.3	172.9	0	0	0	0	111.5	F298 I299 L300 L305 F306	F298-V302 HydrophobicContact CD1-CG2 4.42Å; F298-V302 HydrophobicContact CE1-CG2 4.01Å; F298-V302 HydrophobicContact CE2-CG2 4.48Å; F298-V302 HydrophobicContact CZ-CG2 4.04Å; F298-V302 WeakPolarHBondContact O-CG2 3.49Å; F298-V302 PolarHBondContact O-N 2.94Å; I299-V302 PolarHBondContact O-N 3.05Å; L300-V302 VanDerWaalsContact C-N 3.33Å; L300-V302 PolarHBondContact O-N 3.1Å; V302-L305 PolarHBondContact O-N 2.84Å; V302-F306 WeakPolarHBondContact O-CB 3.21Å; V302-F306 PolarHBondContact O-N 3.31Å
303	L	93.6	Very high	90.4	Very high	78 Å²	78	66.4 Å²	66.4	41%	0.408	35%	0.347	S	S	.	.	H	α-helix	trans	-64.5	-46.3	176.5	-71.2	170.8	0	0	0	111.7	I299 L300 L305 F306 V307 F352	I299-L303 HydrophobicContact CG2-CD1 3.91Å; I299-L303 HydrophobicContact CG2-CG 4.36Å; I299-L303 WeakPolarHBondContact O-CG 3.47Å; I299-L303 PolarHBondContact O-N 2.84Å; L300-L303 PolarHBondContact O-N 3.15Å; L303-L305 VanDerWaalsContact C-N 3.33Å; L303-L305 PolarHBondContact O-N 3.28Å; L303-F306 PolarHBondContact O-N 2.86Å; L303-V307 WeakPolarHBondContact O-CG2 3.3Å; L303-V307 PolarHBondContact O-N 3.05Å; L303-F352 HydrophobicContact CB-CD2 4.44Å; L303-F352 HydrophobicContact CB-CE2 4.47Å
304	C	93.8	Very high	90.3	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-63	-39.6	176.9	-61.9	0	0	0	0	111.7	L300 V307 A308 F345 M348 I349	L300-C304 WeakPolarHBondContact O-CB 3.32Å; L300-C304 PolarHBondContact O-N 3.44Å; L300-C304 PolarHBondContact O-SG 3.44Å; C304-V307 PolarHBondContact O-N 3.22Å; C304-A308 VanDerWaalsContact O-CB 3.25Å; C304-A308 WeakPolarHBondContact O-CB 3.5Å; C304-A308 PolarHBondContact O-N 3.02Å; C304-F345 HydrophobicContact CB-CD2 3.8Å; C304-F345 HydrophobicContact CB-CE2 3.74Å; C304-M348 HydrophobicContact CB-CB 4.29Å; C304-I349 HydrophobicContact CB-CG1 3.94Å; C304-I349 VanDerWaalsContact SG-CG1 3.52Å; C304-I349 PolarHBondContact SG-N 2.96Å; C304-I349 VanDerWaalsContact SG-N 3.43Å
305	L	94.1	Very high	89.9	Confident	101 Å²	101	67.5 Å²	67.5	53%	0.529	35%	0.348	S	S	.	.	H	α-helix	trans	-64.5	-42.6	175.1	-178.2	63.6	0	0	0	111.7	L301 V302 L303 A308 V309 F345	L301-L305 VanDerWaalsContact O-CB 3.24Å; L301-L305 WeakPolarHBondContact O-CB 3.44Å; L301-L305 PolarHBondContact O-N 2.8Å; V302-L305 PolarHBondContact O-N 2.84Å; L303-L305 VanDerWaalsContact C-N 3.33Å; L303-L305 PolarHBondContact O-N 3.28Å; L305-A308 PolarHBondContact O-N 2.84Å; L305-V309 HydrophobicContact CD1-CG2 4.16Å; L305-V309 HydrophobicContact CG-CG2 4.43Å; L305-V309 WeakPolarHBondContact O-CB 3.4Å; L305-V309 VanDerWaalsContact O-CG2 3.32Å; L305-V309 WeakPolarHBondContact O-CG2 3.24Å; L305-V309 PolarHBondContact O-N 2.8Å; L305-F345 HydrophobicContact CB-CE2 4.22Å
306	F	94.7	Very high	89.3	Confident	161 Å²	161	68.2 Å²	68.2	71%	0.706	36%	0.356	S	S	*	.	H	α-helix	trans	-61.4	-45	176.9	-178.7	-96.9	0	0	0	112	V302 L303 V309 G310	V302-F306 WeakPolarHBondContact O-CB 3.21Å; V302-F306 PolarHBondContact O-N 3.31Å; L303-F306 PolarHBondContact O-N 2.86Å; F306-V309 PolarHBondContact O-N 2.84Å; F306-G310 PolarHBondContact O-N 2.78Å
307	V	92.8	Very high	88.8	Confident	47 Å²	47	73.9 Å²	73.9	29%	0.285	38%	0.379	S	S	.	.	H	α-helix	trans	-65	-42	175.8	176.1	0	0	0	0	111.5	L303 C304 G310 H311 L344 M348 F352	L303-V307 WeakPolarHBondContact O-CG2 3.3Å; L303-V307 PolarHBondContact O-N 3.05Å; C304-V307 PolarHBondContact O-N 3.22Å; V307-G310 PolarHBondContact O-N 3.01Å; V307-H311 WeakPolarHBondContact O-CB 3.13Å; V307-H311 PolarHBondContact O-N 2.79Å; V307-L344 HydrophobicContact CG1-CD2 4.26Å; V307-M348 HydrophobicContact CB-CG 4.36Å; V307-M348 HydrophobicContact CG1-CE 4.21Å; V307-M348 HydrophobicContact CG1-CG 3.82Å; V307-M348 HydrophobicContact CG1-SD 4.06Å; V307-F352 HydrophobicContact CG2-CE2 4.25Å
308	A	90.9	Very high	87.9	Confident	3 Å²	3	77.5 Å²	77.5	3%	0.025	39%	0.387	C	S	.	.	H	α-helix	trans	-64.9	-40.9	178.4	0	0	0	0	0	112.7	C304 L305 G312 V341 F345	C304-A308 VanDerWaalsContact O-CB 3.25Å; C304-A308 WeakPolarHBondContact O-CB 3.5Å; C304-A308 PolarHBondContact O-N 3.02Å; L305-A308 PolarHBondContact O-N 2.84Å; A308-G312 PolarHBondContact O-N 3.42Å; A308-V341 HydrophobicContact CB-CG1 4.09Å; A308-F345 HydrophobicContact CB-CB 3.82Å; A308-F345 HydrophobicContact CB-CD2 4.07Å; A308-F345 HydrophobicContact CB-CG 4.43Å
309	V	91.5	Very high	86.7	Confident	76 Å²	76	74.5 Å²	74.5	46%	0.461	39%	0.388	S	S	.	.	H	α-helix	trans	-67.2	-43.7	173.5	170.3	0	0	0	0	110.9	L305 F306 H311 G312 L313	L305-V309 HydrophobicContact CD1-CG2 4.16Å; L305-V309 HydrophobicContact CG-CG2 4.43Å; L305-V309 WeakPolarHBondContact O-CB 3.4Å; L305-V309 VanDerWaalsContact O-CG2 3.32Å; L305-V309 WeakPolarHBondContact O-CG2 3.24Å; L305-V309 PolarHBondContact O-N 2.8Å; F306-V309 PolarHBondContact O-N 2.84Å; V309-H311 VanDerWaalsContact C-N 3.33Å; V309-H311 PolarHBondContact O-N 3Å; V309-G312 PolarHBondContact O-N 2.9Å; V309-L313 HydrophobicContact CG1-CD1 3.98Å; V309-L313 HydrophobicContact CG1-CG 4.38Å; V309-L313 WeakPolarHBondContact O-CB 3.42Å; V309-L313 WeakPolarHBondContact O-CG 3.43Å; V309-L313 PolarHBondContact O-N 2.73Å
310	G	90.4	Very high	85	Confident	37 Å²	37	78.8 Å²	78.8	38%	0.381	41%	0.411	S	S	.	.	H	α-helix	trans	-58.3	-43.4	175.5	0	0	0	0	0	112.5	F306 V307 L313 W314	F306-G310 PolarHBondContact O-N 2.78Å; V307-G310 PolarHBondContact O-N 3.01Å; G310-L313 PolarHBondContact O-N 2.84Å; G310-W314 WeakPolarHBondContact O-CB 3.19Å; G310-W314 PolarHBondContact O-N 3.44Å
311	H	86	Confident	83.5	Confident	41 Å²	41	87 Å²	87	19%	0.19	45%	0.447	C	S	.	.	H	α-helix	trans	-66.8	-40.7	174.2	-178.4	-105.3	0	0	0	113	V307 V309 L313 W314 M315 S340 L344	V307-H311 WeakPolarHBondContact O-CB 3.13Å; V307-H311 PolarHBondContact O-N 2.79Å; V309-H311 VanDerWaalsContact C-N 3.33Å; V309-H311 PolarHBondContact O-N 3Å; H311-L313 PolarHBondContact O-N 3.49Å; H311-W314 PolarHBondContact O-N 2.83Å; H311-M315 WeakPolarHBondContact NE2-CE 3.48Å; H311-M315 WeakPolarHBondContact O-CB 3.45Å; H311-M315 WeakPolarHBondContact O-CG 3.33Å; H311-M315 PolarHBondContact O-N 2.98Å; H311-S340 PolarHBondContact CE1-OG 3.23Å; H311-L344 HydrophobicContact CB-CD2 3.36Å
312	G	84.9	Confident	81.8	Confident	15 Å²	15	88.4 Å²	88.4	16%	0.155	45%	0.446	C	S	.	.	H	α-helix	trans	-61.3	-42.4	175.1	0	0	0	0	0	112.6	A308 V309 F316	A308-G312 PolarHBondContact O-N 3.42Å; V309-G312 PolarHBondContact O-N 2.9Å; G312-F316 VanDerWaalsContact O-CB 3.23Å; G312-F316 WeakPolarHBondContact O-CB 3.35Å; G312-F316 PolarHBondContact O-N 3.42Å
313	L	86.6	Confident	80.1	Confident	109 Å²	109	87.5 Å²	87.5	57%	0.571	44%	0.442	S	S	*	.	H	α-helix	trans	-66.4	-41.9	174.2	-70.2	171.4	0	0	0	112	V309 G310 H311 F316 Q317	V309-L313 HydrophobicContact CG1-CD1 3.98Å; V309-L313 HydrophobicContact CG1-CG 4.38Å; V309-L313 WeakPolarHBondContact O-CB 3.42Å; V309-L313 WeakPolarHBondContact O-CG 3.43Å; V309-L313 PolarHBondContact O-N 2.73Å; G310-L313 PolarHBondContact O-N 2.84Å; H311-L313 PolarHBondContact O-N 3.49Å; L313-F316 PolarHBondContact O-N 3.07Å; L313-Q317 WeakPolarHBondContact O-CB 3.41Å; L313-Q317 PolarHBondContact O-N 3Å
314	W	82.9	Confident	78.3	Confident	127 Å²	127	90.4 Å²	90.4	48%	0.481	46%	0.462	S	S	.	.	H	α-helix	trans	-60	-52.3	175.5	-178.6	-91.9	0	0	0	111.4	G310 H311 F316 Q317 Y318	G310-W314 WeakPolarHBondContact O-CB 3.19Å; G310-W314 PolarHBondContact O-N 3.44Å; H311-W314 PolarHBondContact O-N 2.83Å; W314-F316 VanDerWaalsContact C-N 3.32Å; W314-F316 PolarHBondContact O-N 3.3Å; W314-Q317 PolarHBondContact O-N 3.11Å; W314-Q317 VanDerWaalsContact O-N 3.08Å; W314-Y318 HydrophobicContact CD2-CD2 4.13Å; W314-Y318 AromaticContact CD2-CE2 3.76Å; W314-Y318 HydrophobicContact CD2-CE2 3.76Å; W314-Y318 AromaticContact CE2-CD2 3.9Å; W314-Y318 AromaticContact CE2-CE2 3.47Å; W314-Y318 VanDerWaalsContact CE2-CE2 3.47Å; W314-Y318 AromaticContact CE3-CE2 3.99Å; W314-Y318 HydrophobicContact CE3-CE2 3.99Å; W314-Y318 HydrophobicContact CG-CD2 4.36Å; W314-Y318 HydrophobicContact CG-CE2 4.45Å; W314-Y318 AromaticContact CH2-CE2 3.75Å; W314-Y318 HydrophobicContact CH2-CE2 3.75Å; W314-Y318 HydrophobicContact CZ2-CD2 4.3Å; W314-Y318 AromaticContact CZ2-CE2 3.47Å; W314-Y318 HydrophobicContact CZ2-CE2 3.47Å; W314-Y318 VanDerWaalsContact CZ2-CE2 3.47Å; W314-Y318 AromaticContact CZ2-CZ 3.93Å; W314-Y318 AromaticContact CZ3-CE2 3.99Å; W314-Y318 HydrophobicContact CZ3-CE2 3.99Å; W314-Y318 AromaticContact NE1-CD2 3.96Å; W314-Y318 AromaticContact NE1-CE2 3.99Å; W314-Y318 WeakPolarHBondContact O-CD2 3.45Å; W314-Y318 PolarHBondContact O-N 3.2Å
315	M	77.3	Confident	76.6	Confident	57 Å²	57	99.4 Å²	99.4	28%	0.281	50%	0.502	S	S	.	.	H	α-helix	trans	-62.3	-38.1	177.8	-73.9	-67.4	164	0	0	112.4	H311 Q317 G319 L337	H311-M315 WeakPolarHBondContact NE2-CE 3.48Å; H311-M315 WeakPolarHBondContact O-CB 3.45Å; H311-M315 WeakPolarHBondContact O-CG 3.33Å; H311-M315 PolarHBondContact O-N 2.98Å; M315-Q317 VanDerWaalsContact C-N 3.33Å; M315-Q317 PolarHBondContact O-N 3.19Å; M315-G319 PolarHBondContact O-N 3.05Å; M315-G319 VanDerWaalsContact O-N 3.11Å; M315-L337 HydrophobicContact CB-CD1 3.51Å; M315-L337 HydrophobicContact CG-CD1 4.47Å
316	F	78.7	Confident	75	Confident	161 Å²	161	98.2 Å²	98.2	71%	0.706	50%	0.496	S	S	*	.	H	α-helix	trans	-63.5	-35.8	173	-178.9	-96.3	0	0	0	112.9	G312 L313 W314	G312-F316 VanDerWaalsContact O-CB 3.23Å; G312-F316 WeakPolarHBondContact O-CB 3.35Å; G312-F316 PolarHBondContact O-N 3.42Å; L313-F316 PolarHBondContact O-N 3.07Å; W314-F316 VanDerWaalsContact C-N 3.32Å; W314-F316 PolarHBondContact O-N 3.3Å
317	Q	77.3	Confident	73.1	Confident	155 Å²	155	97 Å²	97	72%	0.724	50%	0.501	S	S	*	.	H	α-helix	trans	-74.1	-30.3	-179.1	-173.3	172.1	2.2	0	0	113.5	L313 W314 M315	L313-Q317 WeakPolarHBondContact O-CB 3.41Å; L313-Q317 PolarHBondContact O-N 3Å; W314-Q317 PolarHBondContact O-N 3.11Å; W314-Q317 VanDerWaalsContact O-N 3.08Å; M315-Q317 VanDerWaalsContact C-N 3.33Å; M315-Q317 PolarHBondContact O-N 3.19Å
318	Y	69.1	Low	71.2	Confident	101 Å²	101	100.3 Å²	100.3	40%	0.396	52%	0.517	S	S	.	.	H	α-helix	trans	-90.2	-31	179.3	-78.1	-85.2	0	0	0	114	W314 K321	W314-Y318 HydrophobicContact CD2-CD2 4.13Å; W314-Y318 AromaticContact CD2-CE2 3.76Å; W314-Y318 HydrophobicContact CD2-CE2 3.76Å; W314-Y318 AromaticContact CE2-CD2 3.9Å; W314-Y318 AromaticContact CE2-CE2 3.47Å; W314-Y318 VanDerWaalsContact CE2-CE2 3.47Å; W314-Y318 AromaticContact CE3-CE2 3.99Å; W314-Y318 HydrophobicContact CE3-CE2 3.99Å; W314-Y318 HydrophobicContact CG-CD2 4.36Å; W314-Y318 HydrophobicContact CG-CE2 4.45Å; W314-Y318 AromaticContact CH2-CE2 3.75Å; W314-Y318 HydrophobicContact CH2-CE2 3.75Å; W314-Y318 HydrophobicContact CZ2-CD2 4.3Å; W314-Y318 AromaticContact CZ2-CE2 3.47Å; W314-Y318 HydrophobicContact CZ2-CE2 3.47Å; W314-Y318 VanDerWaalsContact CZ2-CE2 3.47Å; W314-Y318 AromaticContact CZ2-CZ 3.93Å; W314-Y318 AromaticContact CZ3-CE2 3.99Å; W314-Y318 HydrophobicContact CZ3-CE2 3.99Å; W314-Y318 AromaticContact NE1-CD2 3.96Å; W314-Y318 AromaticContact NE1-CE2 3.99Å; W314-Y318 WeakPolarHBondContact O-CD2 3.45Å; W314-Y318 PolarHBondContact O-N 3.2Å; Y318-K321 PolarHBondContact O-N 3.38Å; Y318-K321 VanDerWaalsContact O-N 3.16Å
319	G	66.4	Low	69.4	Low	47 Å²	47	103.4 Å²	103.4	49%	0.485	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	-136.7	175.3	0	0	0	0	0	113.4	M315 K321	M315-G319 PolarHBondContact O-N 3.05Å; M315-G319 VanDerWaalsContact O-N 3.11Å; G319-K321 PolarHBondContact O-N 3.38Å; G319-K321 VanDerWaalsContact O-N 3.12Å
320	D	56.3	Low	67.4	Low	172 Å²	172	106.1 Å²	106.1	92%	0.92	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	-13.2	179.8	-63.6	-38.6	0	0	0	114.1	R322	D320-R322 VanDerWaalsContact C-N 3.34Å; D320-R322 PolarHBondContact O-N 2.94Å
321	K	59	Low	65.5	Low	176 Å²	176	112.1 Å²	112.1	77%	0.765	58%	0.576	S	S	*	*			trans	-91.3	67.2	177.2	-67.5	-176.8	179.4	178	0	110.6	Y318 G319	Y318-K321 PolarHBondContact O-N 3.38Å; Y318-K321 VanDerWaalsContact O-N 3.16Å; G319-K321 PolarHBondContact O-N 3.38Å; G319-K321 VanDerWaalsContact O-N 3.12Å
322	R	57.3	Low	64	Low	118 Å²	118	113.1 Å²	113.1	45%	0.445	60%	0.597	S	S	.	*			trans	-54.1	140.6	174.3	-60.7	-169	-159.5	176.5	12.8	110.6	D320 D334	D320-R322 VanDerWaalsContact C-N 3.34Å; D320-R322 PolarHBondContact O-N 2.94Å; R322-D334 IonicContact CZ-OD1 2.98Å; R322-D334 VanDerWaalsContact CZ-OD1 3.25Å; R322-D334 IonicContact NH1-OD1 2.75Å; R322-D334 PolarHBondContact NH1-OD1 3.22Å; R322-D334 IonicContact NH2-OD1 3.99Å; R322-D334 PolarHBondContact NH2-OD1 3.37Å; R322-D334 IonicContact NH2-OD2 2.75Å; R322-D334 PolarHBondContact NH2-OD2 3.05Å
323	P	58.9	Low	62.6	Low	56 Å²	56	117.2 Å²	117.2	36%	0.364	62%	0.619	S	S	.	*			trans	-64.6	145.3	174.8	27.2	-32.3	0	0	0	110.3	F325 D326	P323-F325 PolarHBondContact O-N 3.23Å; P323-D326 HydrophobicContact CG-CB 4.26Å; P323-D326 WeakPolarHBondContact O-CB 3.27Å; P323-D326 PolarHBondContact O-N 3.46Å
324	V	55.6	Low	61.3	Low	139 Å²	139	117.4 Å²	117.4	84%	0.842	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-11	-172.6	-178.4	0	0	0	0	114
325	F	58.5	Low	60.5	Low	188 Å²	188	115.4 Å²	115.4	83%	0.825	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.5	8.5	-178.4	-54.4	-74.5	0	0	0	113.9	P323 V327	P323-F325 PolarHBondContact O-N 3.23Å; F325-V327 PolarHBondContact O-N 3.03Å
326	D	60.1	Low	60.4	Low	76 Å²	76	115.9 Å²	115.9	41%	0.406	63%	0.628	S	S	.	*			trans	-74.2	112.3	179.4	-162.3	26.8	0	0	0	110.9	P323 L328	P323-D326 HydrophobicContact CG-CB 4.26Å; P323-D326 WeakPolarHBondContact O-CB 3.27Å; P323-D326 PolarHBondContact O-N 3.46Å; D326-L328 PolarHBondContact O-N 3.3Å
327	V	55.3	Low	60.3	Low	135 Å²	135	112.1 Å²	112.1	82%	0.818	62%	0.615	S	S	*	*			trans	-83.5	105.1	-174.1	-178.9	0	0	0	0	109.6	F325 S329	F325-V327 PolarHBondContact O-N 3.03Å; V327-S329 PolarHBondContact O-N 3.49Å
328	L	52.9	Low	60.5	Low	117 Å²	117	109.4 Å²	109.4	61%	0.613	61%	0.609	S	S	*	*			trans	-52.8	133.6	174.5	-74.3	164.9	0	0	0	111.7	D326	D326-L328 PolarHBondContact O-N 3.3Å
329	S	52.2	Low	61.2	Low	69 Å²	69	108.6 Å²	108.6	48%	0.483	61%	0.61	S	S	.	*			trans	-56.3	138.5	169.4	-173.4	0	0	0	0	109.9	V327 E331 G332	V327-S329 PolarHBondContact O-N 3.49Å; S329-E331 PolarHBondContact O-N 2.66Å; S329-G332 PolarHBondContact O-N 3.05Å
330	P	50.3	Low	61.9	Low	133 Å²	133	108 Å²	108	86%	0.864	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-12	-169.5	23.2	-35.3	0	0	0	115.4
331	E	50.1	Low	63.3	Low	163 Å²	163	101.4 Å²	101.4	76%	0.762	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	1.4	178.8	-61.3	178	151	0	0	113.4	S329 T333	S329-E331 PolarHBondContact O-N 2.66Å; E331-T333 PolarHBondContact O-N 3.42Å; E331-T333 VanDerWaalsContact O-N 3.1Å
332	G	53.6	Low	64.8	Low	62 Å²	62	96.6 Å²	96.6	64%	0.639	55%	0.546	S	S	*	.			trans	65.3	15.3	168.7	0	0	0	0	0	116.2	S329	S329-G332 PolarHBondContact O-N 3.05Å
333	T	55.4	Low	66.2	Low	100 Å²	100	94.4 Å²	94.4	61%	0.613	54%	0.538	S	S	*	.			trans	-97.4	132.4	179.5	45	0	0	0	0	111.8	E331 L335	E331-T333 PolarHBondContact O-N 3.42Å; E331-T333 VanDerWaalsContact O-N 3.1Å; T333-L335 PolarHBondContact O-N 3.44Å
334	D	59.8	Low	67.6	Low	113 Å²	113	93.6 Å²	93.6	60%	0.604	53%	0.53	S	S	*	.			trans	-75.9	105	178.3	-83.5	-22.5	0	0	0	111.1	R322 S336	R322-D334 IonicContact CZ-OD1 2.98Å; R322-D334 VanDerWaalsContact CZ-OD1 3.25Å; R322-D334 IonicContact NH1-OD1 2.75Å; R322-D334 PolarHBondContact NH1-OD1 3.22Å; R322-D334 IonicContact NH2-OD1 3.99Å; R322-D334 PolarHBondContact NH2-OD1 3.37Å; R322-D334 IonicContact NH2-OD2 2.75Å; R322-D334 PolarHBondContact NH2-OD2 3.05Å; D334-S336 PolarHBondContact O-N 2.48Å
335	L	65.7	Low	69.3	Low	85 Å²	85	89.5 Å²	89.5	45%	0.445	50%	0.501	S	S	.	.			trans	-68.5	124.4	175.8	-172.6	67.8	0	0	0	110.3	T333 M339 Y343	T333-L335 PolarHBondContact O-N 3.44Å; L335-M339 HydrophobicContact CD1-CB 3.57Å; L335-M339 HydrophobicContact CD1-CG 4.45Å; L335-M339 HydrophobicContact CD2-CB 4.45Å; L335-M339 HydrophobicContact CG-CB 3.92Å; L335-Y343 HydrophobicContact CD1-CD2 4.24Å; L335-Y343 HydrophobicContact CD1-CE2 3.56Å; L335-Y343 HydrophobicContact CD2-CD2 3.42Å; L335-Y343 VanDerWaalsContact CD2-CD2 3.42Å; L335-Y343 HydrophobicContact CD2-CE2 3.63Å; L335-Y343 HydrophobicContact CD2-CG 4.48Å; L335-Y343 HydrophobicContact CG-CD2 4.44Å; L335-Y343 HydrophobicContact CG-CE2 4.23Å
336	S	76.1	Confident	70.8	Confident	67 Å²	67	82.6 Å²	82.6	47%	0.469	47%	0.473	S	S	.	.			trans	-62.1	146.5	-178.3	70.6	0	0	0	0	112.1	D334 V338 M339 S340	D334-S336 PolarHBondContact O-N 2.48Å; S336-V338 PolarHBondContact O-N 2.9Å; S336-V338 VanDerWaalsContact O-N 3.07Å; S336-M339 PolarHBondContact O-N 3.18Å; S336-M339 WeakPolarHBondContact OG-CG 3.38Å; S336-S340 PolarHBondContact O-N 2.89Å
337	L	76.3	Confident	72.2	Confident	83 Å²	83	80.4 Å²	80.4	44%	0.435	46%	0.462	S	S	.	.	H	α-helix	trans	-46.8	-43.2	-177.9	178.6	63.7	0	0	0	112.8	M315 S340 V341	M315-L337 HydrophobicContact CB-CD1 3.51Å; M315-L337 HydrophobicContact CG-CD1 4.47Å; L337-S340 PolarHBondContact O-N 3.16Å; L337-V341 WeakPolarHBondContact O-CG2 3.48Å; L337-V341 PolarHBondContact O-N 3.31Å
338	V	82.1	Confident	73.9	Confident	98 Å²	98	76 Å²	76	59%	0.594	43%	0.433	S	S	*	.	H	α-helix	trans	-64.9	-44.8	178.7	179.1	0	0	0	0	111.7	S336 V341 I342	S336-V338 PolarHBondContact O-N 2.9Å; S336-V338 VanDerWaalsContact O-N 3.07Å; V338-V341 PolarHBondContact O-N 2.68Å; V338-I342 HydrophobicContact CG1-CD1 3.85Å; V338-I342 WeakPolarHBondContact O-CD1 3.26Å; V338-I342 VanDerWaalsContact O-CG1 3.25Å; V338-I342 WeakPolarHBondContact O-CG1 3.19Å; V338-I342 PolarHBondContact O-N 2.92Å
339	M	82.8	Confident	75.7	Confident	84 Å²	84	70.8 Å²	70.8	41%	0.414	41%	0.406	S	S	.	.	H	α-helix	trans	-69.8	-37.1	178.7	-66.7	-64	179.2	0	0	111.8	L335 S336 I342 Y343	L335-M339 HydrophobicContact CD1-CB 3.57Å; L335-M339 HydrophobicContact CD1-CG 4.45Å; L335-M339 HydrophobicContact CD2-CB 4.45Å; L335-M339 HydrophobicContact CG-CB 3.92Å; S336-M339 PolarHBondContact O-N 3.18Å; S336-M339 WeakPolarHBondContact OG-CG 3.38Å; M339-I342 PolarHBondContact O-N 2.87Å; M339-I342 HydrophobicContact SD-CD1 4.44Å; M339-Y343 HydrophobicContact CB-CE2 4.47Å; M339-Y343 WeakPolarHBondContact O-CB 3.42Å; M339-Y343 VanDerWaalsContact O-CG 3.24Å; M339-Y343 PolarHBondContact O-N 3.36Å
340	S	82.3	Confident	77.5	Confident	33 Å²	33	67.5 Å²	67.5	23%	0.231	38%	0.383	C	S	.	.	H	α-helix	trans	-62.2	-43.4	175.1	-171.7	0	0	0	0	112	H311 S336 L337 Y343 L344	H311-S340 PolarHBondContact CE1-OG 3.23Å; S336-S340 PolarHBondContact O-N 2.89Å; L337-S340 PolarHBondContact O-N 3.16Å; S340-Y343 PolarHBondContact O-N 2.78Å; S340-L344 WeakPolarHBondContact O-CB 3.44Å; S340-L344 PolarHBondContact O-N 2.85Å
341	V	86.1	Confident	79.3	Confident	35 Å²	35	63.9 Å²	63.9	21%	0.212	36%	0.358	C	S	.	.	H	α-helix	trans	-63.4	-41	172.9	169.7	0	0	0	0	112.1	A308 L337 V338 F345	A308-V341 HydrophobicContact CB-CG1 4.09Å; L337-V341 WeakPolarHBondContact O-CG2 3.48Å; L337-V341 PolarHBondContact O-N 3.31Å; V338-V341 PolarHBondContact O-N 2.68Å; V341-F345 WeakPolarHBondContact O-CB 3.13Å; V341-F345 PolarHBondContact O-N 3.1Å
342	I	89	Confident	81.3	Confident	74 Å²	74	59.6 Å²	59.6	38%	0.379	34%	0.337	S	S	.	.	H	α-helix	trans	-66.3	-44.2	177.1	-71	166.1	0	0	0	111.5	V338 M339 F345 L346	V338-I342 HydrophobicContact CG1-CD1 3.85Å; V338-I342 WeakPolarHBondContact O-CD1 3.26Å; V338-I342 VanDerWaalsContact O-CG1 3.25Å; V338-I342 WeakPolarHBondContact O-CG1 3.19Å; V338-I342 PolarHBondContact O-N 2.92Å; M339-I342 PolarHBondContact O-N 2.87Å; M339-I342 HydrophobicContact SD-CD1 4.44Å; I342-F345 WeakPolarHBondContact O-CB 3.16Å; I342-F345 PolarHBondContact O-N 2.82Å; I342-L346 HydrophobicContact CG2-CD1 4.19Å; I342-L346 WeakPolarHBondContact O-CG 3.31Å; I342-L346 PolarHBondContact O-N 2.78Å; I342-L346 VanDerWaalsContact O-N 3.07Å
343	Y	88.2	Confident	82.8	Confident	72 Å²	72	58.4 Å²	58.4	28%	0.282	32%	0.315	S	S	.	.	H	α-helix	trans	-66.1	-44.1	179.3	-65.2	-11.2	0	0	0	110.8	V85 V86 L335 M339 S340 F345 L346 T347	V85-Y343 HydrophobicContact CG1-CD2 3.46Å; V85-Y343 VanDerWaalsContact CG1-CD2 3.46Å; V85-Y343 HydrophobicContact CG1-CE1 4.44Å; V85-Y343 HydrophobicContact CG1-CE2 3.25Å; V85-Y343 HydrophobicContact CG1-CG 4.17Å; V86-Y343 HydrophobicContact CG1-CD1 4.07Å; V86-Y343 HydrophobicContact CG1-CG 4.11Å; L335-Y343 HydrophobicContact CD1-CD2 4.24Å; L335-Y343 HydrophobicContact CD1-CE2 3.56Å; L335-Y343 HydrophobicContact CD2-CD2 3.42Å; L335-Y343 VanDerWaalsContact CD2-CD2 3.42Å; L335-Y343 HydrophobicContact CD2-CE2 3.63Å; L335-Y343 HydrophobicContact CD2-CG 4.48Å; L335-Y343 HydrophobicContact CG-CD2 4.44Å; L335-Y343 HydrophobicContact CG-CE2 4.23Å; M339-Y343 HydrophobicContact CB-CE2 4.47Å; M339-Y343 WeakPolarHBondContact O-CB 3.42Å; M339-Y343 VanDerWaalsContact O-CG 3.24Å; M339-Y343 PolarHBondContact O-N 3.36Å; S340-Y343 PolarHBondContact O-N 2.78Å; Y343-F345 VanDerWaalsContact C-N 3.32Å; Y343-F345 PolarHBondContact O-N 3.22Å; Y343-L346 PolarHBondContact O-N 3.11Å; Y343-T347 WeakPolarHBondContact O-CB 3.13Å; Y343-T347 PolarHBondContact O-N 2.91Å; Y343-T347 PolarHBondContact O-OG1 2.62Å
344	L	87.3	Confident	84.3	Confident	40 Å²	40	59 Å²	59	21%	0.209	32%	0.319	C	S	.	.	H	α-helix	trans	-62.2	-39.4	175.1	-169.2	69.4	0	0	0	112.3	V307 H311 S340 L346 T347 M348	V307-L344 HydrophobicContact CG1-CD2 4.26Å; H311-L344 HydrophobicContact CB-CD2 3.36Å; S340-L344 WeakPolarHBondContact O-CB 3.44Å; S340-L344 PolarHBondContact O-N 2.85Å; L344-L346 VanDerWaalsContact C-N 3.34Å; L344-L346 PolarHBondContact O-N 3.15Å; L344-T347 PolarHBondContact O-N 3.3Å; L344-M348 HydrophobicContact CD1-CE 3.69Å; L344-M348 HydrophobicContact CD1-CG 4.4Å; L344-M348 HydrophobicContact CG-CE 4.33Å; L344-M348 HydrophobicContact CG-CG 4.23Å; L344-M348 WeakPolarHBondContact O-CB 3.48Å; L344-M348 WeakPolarHBondContact O-CG 3.23Å; L344-M348 PolarHBondContact O-N 2.71Å
345	F	91.3	Very high	85.5	Confident	52 Å²	52	57 Å²	57	23%	0.228	31%	0.307	C	S	.	.	H	α-helix	trans	-56.5	-46.8	174	175.6	-100.5	0	0	0	112	L301 C304 L305 A308 V341 I342 Y343 M348 I349	L301-F345 HydrophobicContact CD2-CZ 4.03Å; C304-F345 HydrophobicContact CB-CD2 3.8Å; C304-F345 HydrophobicContact CB-CE2 3.74Å; L305-F345 HydrophobicContact CB-CE2 4.22Å; A308-F345 HydrophobicContact CB-CB 3.82Å; A308-F345 HydrophobicContact CB-CD2 4.07Å; A308-F345 HydrophobicContact CB-CG 4.43Å; V341-F345 WeakPolarHBondContact O-CB 3.13Å; V341-F345 PolarHBondContact O-N 3.1Å; I342-F345 WeakPolarHBondContact O-CB 3.16Å; I342-F345 PolarHBondContact O-N 2.82Å; Y343-F345 VanDerWaalsContact C-N 3.32Å; Y343-F345 PolarHBondContact O-N 3.22Å; F345-M348 PolarHBondContact O-N 3.43Å; F345-I349 HydrophobicContact CD1-CD1 4.06Å; F345-I349 HydrophobicContact CE1-CD1 3.57Å; F345-I349 HydrophobicContact CZ-CD1 3.83Å; F345-I349 WeakPolarHBondContact O-CG1 3.27Å; F345-I349 PolarHBondContact O-N 2.51Å; F345-I349 VanDerWaalsContact O-N 3.16Å
346	L	90.7	Very high	86.4	Confident	43 Å²	43	53.1 Å²	53.1	23%	0.225	29%	0.287	C	S	.	.	H	α-helix	trans	-69.8	-39.4	178.3	-64.6	175.6	0	0	0	112.6	L80 V86 I342 Y343 L344 M348 I349 I350	L80-L346 HydrophobicContact CD1-CB 4.37Å; L80-L346 HydrophobicContact CD1-CD1 4.37Å; L80-L346 HydrophobicContact CD1-CD2 4.22Å; L80-L346 HydrophobicContact CD2-CB 4.31Å; L80-L346 HydrophobicContact CD2-CD2 4.24Å; V86-L346 HydrophobicContact CB-CB 4.19Å; V86-L346 HydrophobicContact CG1-CB 3.91Å; V86-L346 HydrophobicContact CG1-CD1 4.34Å; V86-L346 HydrophobicContact CG2-CB 4.44Å; I342-L346 HydrophobicContact CG2-CD1 4.19Å; I342-L346 WeakPolarHBondContact O-CG 3.31Å; I342-L346 PolarHBondContact O-N 2.78Å; I342-L346 VanDerWaalsContact O-N 3.07Å; Y343-L346 PolarHBondContact O-N 3.11Å; L344-L346 VanDerWaalsContact C-N 3.34Å; L344-L346 PolarHBondContact O-N 3.15Å; L346-M348 VanDerWaalsContact C-N 3.34Å; L346-M348 PolarHBondContact O-N 3.06Å; L346-I349 HydrophobicContact CD2-CD1 4.45Å; L346-I349 WeakPolarHBondContact O-CB 3.49Å; L346-I349 PolarHBondContact O-N 2.8Å; L346-I350 PolarHBondContact O-N 3.35Å
347	T	89.2	Confident	86.7	Confident	30 Å²	30	53 Å²	53	18%	0.184	28%	0.284	C	S	.	.	H	α-helix	trans	-62.7	-41.2	174.5	-54.9	0	0	0	0	111.1	A88 Y343 L344 I349 I350 V351	A88-T347 HydrophobicContact CB-CG2 4.09Å; Y343-T347 WeakPolarHBondContact O-CB 3.13Å; Y343-T347 PolarHBondContact O-N 2.91Å; Y343-T347 PolarHBondContact O-OG1 2.62Å; L344-T347 PolarHBondContact O-N 3.3Å; T347-I349 VanDerWaalsContact C-N 3.32Å; T347-I349 PolarHBondContact O-N 3.45Å; T347-I350 WeakPolarHBondContact O-CB 3.39Å; T347-I350 PolarHBondContact O-N 3.09Å; T347-I350 VanDerWaalsContact O-N 3.1Å; T347-V351 WeakPolarHBondContact O-CG2 3.17Å; T347-V351 PolarHBondContact O-N 2.9Å
348	M	91.2	Very high	86.9	Confident	42 Å²	42	51.1 Å²	51.1	21%	0.207	27%	0.274	C	S	.	.	H	α-helix	trans	-67.5	-30.6	177.6	-70.7	-67.2	156.8	0	0	112.8	C304 V307 L344 F345 L346 I350 V351 F352	C304-M348 HydrophobicContact CB-CB 4.29Å; V307-M348 HydrophobicContact CB-CG 4.36Å; V307-M348 HydrophobicContact CG1-CE 4.21Å; V307-M348 HydrophobicContact CG1-CG 3.82Å; V307-M348 HydrophobicContact CG1-SD 4.06Å; L344-M348 HydrophobicContact CD1-CE 3.69Å; L344-M348 HydrophobicContact CD1-CG 4.4Å; L344-M348 HydrophobicContact CG-CE 4.33Å; L344-M348 HydrophobicContact CG-CG 4.23Å; L344-M348 WeakPolarHBondContact O-CB 3.48Å; L344-M348 WeakPolarHBondContact O-CG 3.23Å; L344-M348 PolarHBondContact O-N 2.71Å; F345-M348 PolarHBondContact O-N 3.43Å; L346-M348 VanDerWaalsContact C-N 3.34Å; L346-M348 PolarHBondContact O-N 3.06Å; M348-I350 VanDerWaalsContact C-N 3.26Å; M348-I350 PolarHBondContact O-N 2.84Å; M348-V351 PolarHBondContact O-N 3.2Å; M348-F352 HydrophobicContact CB-CD2 4.36Å; M348-F352 HydrophobicContact CB-CE2 4.31Å; M348-F352 WeakPolarHBondContact O-CB 3.18Å; M348-F352 WeakPolarHBondContact O-CD2 3.39Å; M348-F352 PolarHBondContact O-N 2.99Å; M348-F352 HydrophobicContact SD-CE2 4.12Å; M348-F352 HydrophobicContact SD-CZ 4.24Å
349	I	91.1	Very high	87	Confident	9 Å²	9	50.1 Å²	50.1	5%	0.046	27%	0.272	C	S	.	.	H	α-helix	trans	-61	-36.9	170.9	-76.1	171.4	0	0	0	111	I77 L80 L301 C304 F345 L346 T347 Q353	I77-I349 HydrophobicContact CD1-CG2 3.36Å; L80-I349 HydrophobicContact CD2-CB 4.47Å; L80-I349 HydrophobicContact CD2-CG2 4.01Å; L301-I349 HydrophobicContact CD2-CD1 4.1Å; C304-I349 HydrophobicContact CB-CG1 3.94Å; C304-I349 VanDerWaalsContact SG-CG1 3.52Å; C304-I349 PolarHBondContact SG-N 2.96Å; C304-I349 VanDerWaalsContact SG-N 3.43Å; F345-I349 HydrophobicContact CD1-CD1 4.06Å; F345-I349 HydrophobicContact CE1-CD1 3.57Å; F345-I349 HydrophobicContact CZ-CD1 3.83Å; F345-I349 WeakPolarHBondContact O-CG1 3.27Å; F345-I349 PolarHBondContact O-N 2.51Å; F345-I349 VanDerWaalsContact O-N 3.16Å; L346-I349 HydrophobicContact CD2-CD1 4.45Å; L346-I349 WeakPolarHBondContact O-CB 3.49Å; L346-I349 PolarHBondContact O-N 2.8Å; T347-I349 VanDerWaalsContact C-N 3.32Å; T347-I349 PolarHBondContact O-N 3.45Å; I349-Q353 PolarHBondContact O-N 2.95Å
350	I	89.1	Confident	86.9	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-75.2	-43.5	175.8	-60.7	158.3	0	0	0	111.2	I77 L80 N81 V86 A88 F89 L346 T347 M348 F352 Q353	I77-I350 HydrophobicContact CG2-CG1 4.43Å; L80-I350 HydrophobicContact CB-CD1 4.42Å; L80-I350 HydrophobicContact CD2-CD1 4.25Å; L80-I350 HydrophobicContact CD2-CG1 4.06Å; L80-I350 HydrophobicContact CG-CD1 3.99Å; L80-I350 HydrophobicContact CG-CG1 4.25Å; N81-I350 HydrophobicContact CB-CD1 3.86Å; N81-I350 HydrophobicContact CB-CG1 4.25Å; N81-I350 HydrophobicContact CB-CG2 4.14Å; V86-I350 WeakPolarHBondContact O-CD1 3.23Å; A88-I350 HydrophobicContact CB-CB 4.29Å; A88-I350 HydrophobicContact CB-CG2 3.9Å; F89-I350 HydrophobicContact CD2-CG2 3.8Å; F89-I350 HydrophobicContact CE2-CG2 4.08Å; L346-I350 PolarHBondContact O-N 3.35Å; T347-I350 WeakPolarHBondContact O-CB 3.39Å; T347-I350 PolarHBondContact O-N 3.09Å; T347-I350 VanDerWaalsContact O-N 3.1Å; M348-I350 VanDerWaalsContact C-N 3.26Å; M348-I350 PolarHBondContact O-N 2.84Å; I350-F352 PolarHBondContact O-N 2.92Å; I350-Q353 VanDerWaalsContact O-CB 3.29Å; I350-Q353 WeakPolarHBondContact O-CB 3.05Å; I350-Q353 VanDerWaalsContact O-CD 3.29Å; I350-Q353 WeakPolarHBondContact O-CG 3.46Å; I350-Q353 PolarHBondContact O-N 3.1Å; I350-Q353 PolarHBondContact O-NE2 3.39Å; I350-Q353 VanDerWaalsContact O-NE2 3.11Å
351	V	89.1	Confident	86.7	Confident	57 Å²	57	48.6 Å²	48.6	35%	0.345	26%	0.261	S	S	.	.	H	α-helix	trans	-61.1	-44.6	179.1	172.3	0	0	0	0	111.4	A88 T347 M348 Q353	A88-V351 HydrophobicContact CB-CG2 4.07Å; T347-V351 WeakPolarHBondContact O-CG2 3.17Å; T347-V351 PolarHBondContact O-N 2.9Å; M348-V351 PolarHBondContact O-N 3.2Å; V351-Q353 VanDerWaalsContact C-N 3.31Å; V351-Q353 PolarHBondContact O-N 3.27Å
352	F	90.6	Very high	86.3	Confident	73 Å²	73	48 Å²	48	32%	0.32	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-85.7	8.6	-179.6	-61.4	-40.6	0	0	0	114.4	L300 L303 V307 M348 I350 V354 L355	L300-F352 HydrophobicContact CD1-CB 3.38Å; L303-F352 HydrophobicContact CB-CD2 4.44Å; L303-F352 HydrophobicContact CB-CE2 4.47Å; V307-F352 HydrophobicContact CG2-CE2 4.25Å; M348-F352 HydrophobicContact CB-CD2 4.36Å; M348-F352 HydrophobicContact CB-CE2 4.31Å; M348-F352 WeakPolarHBondContact O-CB 3.18Å; M348-F352 WeakPolarHBondContact O-CD2 3.39Å; M348-F352 PolarHBondContact O-N 2.99Å; M348-F352 HydrophobicContact SD-CE2 4.12Å; M348-F352 HydrophobicContact SD-CZ 4.24Å; I350-F352 PolarHBondContact O-N 2.92Å; F352-V354 PolarHBondContact O-N 3.22Å; F352-L355 WeakPolarHBondContact O-CB 3.14Å; F352-L355 PolarHBondContact O-N 3.18Å; F352-L355 VanDerWaalsContact O-N 3.07Å
353	Q	86.4	Confident	86.1	Confident	36 Å²	36	47.5 Å²	47.5	17%	0.168	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-54	-26.9	178	74.2	-173.8	-51.7	0	0	113.8	I77 I349 I350 V351 L355 I356	I77-Q353 HydrophobicContact CG2-CB 3.96Å; I77-Q353 VanDerWaalsContact CG2-OE1 3.26Å; I349-Q353 PolarHBondContact O-N 2.95Å; I350-Q353 VanDerWaalsContact O-CB 3.29Å; I350-Q353 WeakPolarHBondContact O-CB 3.05Å; I350-Q353 VanDerWaalsContact O-CD 3.29Å; I350-Q353 WeakPolarHBondContact O-CG 3.46Å; I350-Q353 PolarHBondContact O-N 3.1Å; I350-Q353 PolarHBondContact O-NE2 3.39Å; I350-Q353 VanDerWaalsContact O-NE2 3.11Å; V351-Q353 VanDerWaalsContact C-N 3.31Å; V351-Q353 PolarHBondContact O-N 3.27Å; Q353-L355 PolarHBondContact O-N 3.46Å; Q353-L355 VanDerWaalsContact O-N 3.1Å; Q353-I356 PolarHBondContact O-N 3.47Å; Q353-I356 VanDerWaalsContact O-N 3.11Å
354	V	85.4	Confident	85.8	Confident	114 Å²	114	45.9 Å²	45.9	69%	0.691	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-59.2	-21.3	179.8	-174	0	0	0	0	112.5	F352 I356	F352-V354 PolarHBondContact O-N 3.22Å; V354-I356 PolarHBondContact O-N 3.48Å
355	L	86.1	Confident	85.4	Confident	71 Å²	71	45.6 Å²	45.6	37%	0.372	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-59.2	-25.8	175.1	-172.5	64.8	0	0	0	113.2	C296 I299 L300 F352 Q353 P357	C296-L355 HydrophobicContact CB-CG 4.38Å; C296-L355 WeakPolarHBondContact O-CD2 3.27Å; I299-L355 HydrophobicContact CB-CD2 4.32Å; I299-L355 HydrophobicContact CG2-CD2 4.02Å; L300-L355 HydrophobicContact CB-CD2 4.16Å; F352-L355 WeakPolarHBondContact O-CB 3.14Å; F352-L355 PolarHBondContact O-N 3.18Å; F352-L355 VanDerWaalsContact O-N 3.07Å; Q353-L355 PolarHBondContact O-N 3.46Å; Q353-L355 VanDerWaalsContact O-N 3.1Å; L355-P357 WeakPolarHBondContact O-CD 3.39Å
356	I	84.3	Confident	85	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.015	27%	0.265	C	S	.	.	S	Bend	trans	-111.3	93.5	174.9	-63.1	172.1	0	0	0	108	Y73 F74 V293 C296 A297 Q353 V354 I358	Y73-I356 HydrophobicContact CD1-CB 4.44Å; Y73-I356 HydrophobicContact CD1-CD1 4.14Å; Y73-I356 HydrophobicContact CD1-CG2 4.15Å; Y73-I356 HydrophobicContact CD2-CD1 4.45Å; Y73-I356 HydrophobicContact CE1-CB 3.8Å; Y73-I356 HydrophobicContact CE1-CD1 3.72Å; Y73-I356 HydrophobicContact CE1-CG1 4.3Å; Y73-I356 HydrophobicContact CE1-CG2 4Å; Y73-I356 HydrophobicContact CE2-CD1 4.05Å; Y73-I356 HydrophobicContact CG-CD1 4.5Å; F74-I356 HydrophobicContact CE1-CB 4.39Å; F74-I356 HydrophobicContact CE1-CG2 3.74Å; F74-I356 WeakPolarHBondContact CE1-O 3.44Å; F74-I356 HydrophobicContact CZ-CG2 3.77Å; V293-I356 HydrophobicContact CG1-CD1 4.26Å; V293-I356 HydrophobicContact CG1-CG2 4.09Å; V293-I356 HydrophobicContact CG2-CG2 4.25Å; C296-I356 HydrophobicContact CB-CD1 4.04Å; C296-I356 HydrophobicContact CB-CG1 3.59Å; A297-I356 HydrophobicContact CB-CD1 4.09Å; Q353-I356 PolarHBondContact O-N 3.47Å; Q353-I356 VanDerWaalsContact O-N 3.11Å; V354-I356 PolarHBondContact O-N 3.48Å; I356-I358 PolarHBondContact O-N 3.28Å; I356-I358 VanDerWaalsContact O-N 3.08Å
357	P	82.9	Confident	84.8	Confident	63 Å²	63	49 Å²	49	41%	0.409	28%	0.277	S	S	.	.			trans	-69.4	109	-171.1	25	-34.1	0	0	0	112.5	L355 S359 L360	L355-P357 WeakPolarHBondContact O-CD 3.39Å; P357-S359 PolarHBondContact O-N 3.29Å; P357-S359 VanDerWaalsContact O-N 3.17Å; P357-L360 HydrophobicContact CG-CB 4.14Å; P357-L360 HydrophobicContact CG-CD2 4.46Å; P357-L360 VanDerWaalsContact O-CB 3.27Å; P357-L360 WeakPolarHBondContact O-CB 3.4Å; P357-L360 PolarHBondContact O-N 3.2Å
358	I	80.8	Confident	84.5	Confident	44 Å²	44	48.3 Å²	48.3	23%	0.226	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.3	-44.2	173.8	-68.2	171.1	0	0	0	111.7	F74 P97 I101 I356 L360	F74-I358 HydrophobicContact CD1-CD1 4.2Å; F74-I358 HydrophobicContact CD1-CG1 3.55Å; F74-I358 HydrophobicContact CD2-CG1 4.42Å; F74-I358 HydrophobicContact CE1-CB 4.35Å; F74-I358 HydrophobicContact CE1-CD1 4.41Å; F74-I358 HydrophobicContact CE1-CG1 3.37Å; F74-I358 HydrophobicContact CE2-CG1 4.27Å; F74-I358 HydrophobicContact CG-CG1 4.11Å; F74-I358 HydrophobicContact CZ-CB 4.28Å; F74-I358 HydrophobicContact CZ-CG1 3.76Å; P97-I358 HydrophobicContact CB-CD1 4.26Å; P97-I358 HydrophobicContact CB-CG2 3.96Å; I101-I358 HydrophobicContact CD1-CG2 3.49Å; I101-I358 VanDerWaalsContact CD1-CG2 3.49Å; I101-I358 VanDerWaalsContact CD1-O 3.24Å; I101-I358 WeakPolarHBondContact CD1-O 3.14Å; I101-I358 HydrophobicContact CG1-CG2 4.19Å; I356-I358 PolarHBondContact O-N 3.28Å; I356-I358 VanDerWaalsContact O-N 3.08Å; I358-L360 VanDerWaalsContact C-N 3.27Å; I358-L360 PolarHBondContact O-N 2.8Å
359	S	82.6	Confident	84.1	Confident	77 Å²	77	48.7 Å²	48.7	54%	0.538	27%	0.274	S	S	.	.	H	α-helix	trans	-63.2	-23.5	-177.4	52.3	0	0	0	0	115	P357 F361 V362 S363	P357-S359 PolarHBondContact O-N 3.29Å; P357-S359 VanDerWaalsContact O-N 3.17Å; S359-F361 VanDerWaalsContact C-N 3.33Å; S359-F361 PolarHBondContact O-N 3.16Å; S359-V362 PolarHBondContact O-N 3.2Å; S359-S363 WeakPolarHBondContact O-CB 3.33Å; S359-S363 PolarHBondContact O-N 3.01Å; S359-S363 PolarHBondContact O-OG 2.96Å
360	L	82.3	Confident	83.9	Confident	68 Å²	68	50.8 Å²	50.8	36%	0.356	29%	0.288	S	S	.	.	H	α-helix	trans	-57.6	-44.4	-176.3	-179.8	63.1	0	0	0	112.2	M289 P357 I358 S363 I364	M289-L360 HydrophobicContact CG-CD2 4.26Å; M289-L360 HydrophobicContact SD-CD2 3.88Å; M289-L360 HydrophobicContact SD-CG 4.05Å; P357-L360 HydrophobicContact CG-CB 4.14Å; P357-L360 HydrophobicContact CG-CD2 4.46Å; P357-L360 VanDerWaalsContact O-CB 3.27Å; P357-L360 WeakPolarHBondContact O-CB 3.4Å; P357-L360 PolarHBondContact O-N 3.2Å; I358-L360 VanDerWaalsContact C-N 3.27Å; I358-L360 PolarHBondContact O-N 2.8Å; L360-S363 PolarHBondContact O-N 3.4Å; L360-I364 HydrophobicContact CD1-CD1 3.85Å; L360-I364 HydrophobicContact CD1-CG1 4.41Å; L360-I364 HydrophobicContact CG-CD1 3.96Å; L360-I364 WeakPolarHBondContact O-CG1 3.32Å; L360-I364 PolarHBondContact O-N 2.86Å
361	F	76.8	Confident	83.9	Confident	17 Å²	17	54 Å²	54	8%	0.075	30%	0.303	C	S	.	.	H	α-helix	trans	-66.2	-42.7	-176.3	-70.4	-90.7	0	0	0	112.5	A70 F74 M289 V293 S359 E365	A70-F361 HydrophobicContact CB-CD2 4.41Å; A70-F361 HydrophobicContact CB-CE1 3.75Å; A70-F361 HydrophobicContact CB-CE2 3.61Å; A70-F361 HydrophobicContact CB-CZ 3.23Å; F74-F361 HydrophobicContact CE2-CD2 4.07Å; F74-F361 HydrophobicContact CE2-CE2 4.15Å; F74-F361 HydrophobicContact CZ-CD2 4.38Å; F74-F361 HydrophobicContact CZ-CE2 4.24Å; M289-F361 HydrophobicContact CE-CD1 3.7Å; M289-F361 HydrophobicContact CE-CE1 3.45Å; M289-F361 VanDerWaalsContact CE-CE1 3.45Å; M289-F361 HydrophobicContact CE-CZ 4.23Å; M289-F361 HydrophobicContact CG-CE1 4.23Å; M289-F361 HydrophobicContact CG-CZ 4.09Å; M289-F361 HydrophobicContact SD-CD1 3.99Å; M289-F361 HydrophobicContact SD-CE1 3.66Å; M289-F361 HydrophobicContact SD-CE2 4.39Å; M289-F361 HydrophobicContact SD-CZ 3.86Å; V293-F361 HydrophobicContact CG2-CE2 4.44Å; V293-F361 HydrophobicContact CG2-CZ 4.13Å; S359-F361 VanDerWaalsContact C-N 3.33Å; S359-F361 PolarHBondContact O-N 3.16Å; F361-E365 WeakPolarHBondContact O-CG 3.23Å; F361-E365 PolarHBondContact O-N 2.75Å
362	V	78.6	Confident	83.7	Confident	22 Å²	22	51.4 Å²	51.4	13%	0.133	29%	0.288	C	S	.	.	H	α-helix	trans	-68.3	-44.6	177.2	179.7	0	0	0	0	110.7	F100 I101 S359 I364 E365 I366	F100-V362 HydrophobicContact CE1-CG1 4.43Å; I101-V362 HydrophobicContact CB-CG2 4.26Å; I101-V362 HydrophobicContact CD1-CG2 3.71Å; I101-V362 HydrophobicContact CG1-CG2 3.53Å; I101-V362 HydrophobicContact CG2-CG2 4.27Å; S359-V362 PolarHBondContact O-N 3.2Å; V362-I364 VanDerWaalsContact C-N 3.31Å; V362-I364 PolarHBondContact O-N 2.68Å; V362-E365 PolarHBondContact O-N 3.04Å; V362-I366 HydrophobicContact CG1-CD1 3.68Å; V362-I366 HydrophobicContact CG1-CG1 4.23Å; V362-I366 WeakPolarHBondContact O-CG1 3.46Å; V362-I366 PolarHBondContact O-N 2.92Å
363	S	83.8	Confident	83.4	Confident	64 Å²	64	50 Å²	50	45%	0.448	28%	0.281	S	S	.	.	H	α-helix	trans	-57.6	-43.4	178.7	-63.2	0	0	0	0	111.9	S359 L360 I366 V367	S359-S363 WeakPolarHBondContact O-CB 3.33Å; S359-S363 PolarHBondContact O-N 3.01Å; S359-S363 PolarHBondContact O-OG 2.96Å; L360-S363 PolarHBondContact O-N 3.4Å; S363-I366 PolarHBondContact O-N 3.25Å; S363-V367 WeakPolarHBondContact O-CB 3.17Å; S363-V367 VanDerWaalsContact O-CG2 3.26Å; S363-V367 WeakPolarHBondContact O-CG2 3.4Å; S363-V367 PolarHBondContact O-N 2.87Å
364	I	82.8	Confident	83.6	Confident	38 Å²	38	54.9 Å²	54.9	20%	0.195	30%	0.302	C	S	.	.	H	α-helix	trans	-65.7	-45.1	177	-69	167.4	0	0	0	111.7	M289 L360 V362 I366 V367 K368	M289-I364 HydrophobicContact CE-CD1 4.24Å; M289-I364 HydrophobicContact SD-CD1 3.66Å; L360-I364 HydrophobicContact CD1-CD1 3.85Å; L360-I364 HydrophobicContact CD1-CG1 4.41Å; L360-I364 HydrophobicContact CG-CD1 3.96Å; L360-I364 WeakPolarHBondContact O-CG1 3.32Å; L360-I364 PolarHBondContact O-N 2.86Å; V362-I364 VanDerWaalsContact C-N 3.31Å; V362-I364 PolarHBondContact O-N 2.68Å; I364-I366 VanDerWaalsContact C-N 3.34Å; I364-I366 PolarHBondContact O-N 3.4Å; I364-V367 PolarHBondContact O-N 2.94Å; I364-K368 HydrophobicContact CG2-CD 4.43Å; I364-K368 WeakPolarHBondContact O-CG 3.47Å; I364-K368 PolarHBondContact O-N 2.93Å
365	E	79	Confident	83.7	Confident	34 Å²	34	51.8 Å²	51.8	16%	0.159	28%	0.281	C	S	.	.	H	α-helix	trans	-63.1	-38.6	178.1	-69.6	-89.5	-164	0	0	111.7	R68 K108 F361 V362 I369	R68-E365 IonicContact CZ-OE1 3.59Å; R68-E365 VanDerWaalsContact CZ-OE1 3.3Å; R68-E365 IonicContact NH1-OE1 3.25Å; R68-E365 PolarHBondContact NH1-OE1 2.79Å; R68-E365 IonicContact NH2-OE1 2.7Å; R68-E365 PolarHBondContact NH2-OE1 2.79Å; K108-E365 IonicContact NZ-OE1 3.64Å; K108-E365 IonicContact NZ-OE2 3.89Å; K108-E365 PolarHBondContact NZ-OE2 2.98Å; F361-E365 WeakPolarHBondContact O-CG 3.23Å; F361-E365 PolarHBondContact O-N 2.75Å; V362-E365 PolarHBondContact O-N 3.04Å; E365-I369 WeakPolarHBondContact O-CG1 3.48Å; E365-I369 PolarHBondContact O-N 2.66Å
366	I	82.4	Confident	83.6	Confident	89 Å²	89	49 Å²	49	46%	0.456	27%	0.266	S	S	.	.	H	α-helix	trans	-66.1	-47.4	174	-68.5	174.2	0	0	0	111.1	V362 S363 I364 K368 I369 C370	V362-I366 HydrophobicContact CG1-CD1 3.68Å; V362-I366 HydrophobicContact CG1-CG1 4.23Å; V362-I366 WeakPolarHBondContact O-CG1 3.46Å; V362-I366 PolarHBondContact O-N 2.92Å; S363-I366 PolarHBondContact O-N 3.25Å; I364-I366 VanDerWaalsContact C-N 3.34Å; I364-I366 PolarHBondContact O-N 3.4Å; I366-K368 VanDerWaalsContact C-N 3.27Å; I366-K368 PolarHBondContact O-N 2.96Å; I366-I369 PolarHBondContact O-N 3.41Å; I366-I369 VanDerWaalsContact O-N 3.07Å; I366-C370 PolarHBondContact O-N 2.98Å; I366-C370 PolarHBondContact O-SG 2.61Å; I366-C370 VanDerWaalsContact O-SG 3.37Å
367	V	87	Confident	83.5	Confident	78 Å²	78	53 Å²	53	47%	0.473	28%	0.284	S	S	.	.	H	α-helix	trans	-58.4	-39.6	178.5	165.7	0	0	0	0	111.4	S363 I364 C370 Q371	S363-V367 WeakPolarHBondContact O-CB 3.17Å; S363-V367 VanDerWaalsContact O-CG2 3.26Å; S363-V367 WeakPolarHBondContact O-CG2 3.4Å; S363-V367 PolarHBondContact O-N 2.87Å; I364-V367 PolarHBondContact O-N 2.94Å; V367-C370 PolarHBondContact O-N 2.85Å; V367-Q371 HydrophobicContact CG1-CG 4.46Å; V367-Q371 WeakPolarHBondContact O-CG 3.24Å; V367-Q371 PolarHBondContact O-N 2.9Å
368	K	83.3	Confident	83.8	Confident	15 Å²	15	53.1 Å²	53.1	7%	0.065	28%	0.282	C	S	.	.	H	α-helix	trans	-63.5	-41.3	174.4	-71.4	-177.2	-177.5	-154.9	0	112.7	S283 I364 I366 C370 Q371 V372 N396 E399	S283-K368 PolarHBondContact OG-NZ 2.72Å; I364-K368 HydrophobicContact CG2-CD 4.43Å; I364-K368 WeakPolarHBondContact O-CG 3.47Å; I364-K368 PolarHBondContact O-N 2.93Å; I366-K368 VanDerWaalsContact C-N 3.27Å; I366-K368 PolarHBondContact O-N 2.96Å; K368-C370 VanDerWaalsContact C-N 3.32Å; K368-C370 PolarHBondContact O-N 2.75Å; K368-Q371 PolarHBondContact O-N 2.82Å; K368-V372 WeakPolarHBondContact O-CG2 3.2Å; K368-V372 PolarHBondContact O-N 3.23Å; K368-N396 PolarHBondContact NZ-O 2.89Å; K368-E399 VanDerWaalsContact CE-CD 3.49Å; K368-E399 VanDerWaalsContact CE-OE1 3.23Å; K368-E399 WeakPolarHBondContact CE-OE1 3.39Å; K368-E399 WeakPolarHBondContact CE-OE2 3.35Å; K368-E399 IonicContact NZ-OE1 2.63Å; K368-E399 PolarHBondContact NZ-OE1 3.4Å; K368-E399 IonicContact NZ-OE2 3.72Å; K368-E399 PolarHBondContact NZ-OE2 3.25Å
369	I	81.4	Confident	84.1	Confident	51 Å²	51	56.5 Å²	56.5	26%	0.262	30%	0.298	S	S	.	.	H	α-helix	trans	-62.2	-41.7	175.2	-67.6	165.7	0	0	0	110.5	E365 I366 V372 Y373 F589	E365-I369 WeakPolarHBondContact O-CG1 3.48Å; E365-I369 PolarHBondContact O-N 2.66Å; I366-I369 PolarHBondContact O-N 3.41Å; I366-I369 VanDerWaalsContact O-N 3.07Å; I369-V372 PolarHBondContact O-N 3.32Å; I369-Y373 WeakPolarHBondContact O-CB 3.29Å; I369-Y373 PolarHBondContact O-N 2.75Å; I369-F589 HydrophobicContact CG2-CD1 4.38Å; I369-F589 HydrophobicContact CG2-CE1 3.95Å; I369-F589 HydrophobicContact CG2-CE2 4.19Å; I369-F589 HydrophobicContact CG2-CZ 3.85Å
370	C	86.6	Confident	84.3	Confident	52 Å²	52	60.1 Å²	60.1	35%	0.351	31%	0.311	S	S	.	.	H	α-helix	trans	-65.7	-40.5	175.2	-62.4	0	0	0	0	112.8	I366 V367 K368 Y373 F374	I366-C370 PolarHBondContact O-N 2.98Å; I366-C370 PolarHBondContact O-SG 2.61Å; I366-C370 VanDerWaalsContact O-SG 3.37Å; V367-C370 PolarHBondContact O-N 2.85Å; K368-C370 VanDerWaalsContact C-N 3.32Å; K368-C370 PolarHBondContact O-N 2.75Å; C370-Y373 WeakPolarHBondContact O-CB 3.38Å; C370-Y373 PolarHBondContact O-N 3.2Å; C370-F374 HydrophobicContact CB-CE2 4.45Å; C370-F374 WeakPolarHBondContact O-CD2 3.42Å; C370-F374 PolarHBondContact O-N 2.83Å
371	Q	89.1	Confident	84.5	Confident	67 Å²	67	60.7 Å²	60.7	31%	0.313	31%	0.314	S	S	.	.	H	α-helix	trans	-60	-47.5	173.2	-74	171.2	-8.6	0	0	111.3	V367 K368 Y373 F374 I375 T398	V367-Q371 HydrophobicContact CG1-CG 4.46Å; V367-Q371 WeakPolarHBondContact O-CG 3.24Å; V367-Q371 PolarHBondContact O-N 2.9Å; K368-Q371 PolarHBondContact O-N 2.82Å; Q371-Y373 VanDerWaalsContact C-N 3.27Å; Q371-Y373 PolarHBondContact O-N 2.76Å; Q371-F374 PolarHBondContact O-N 2.74Å; Q371-I375 WeakPolarHBondContact O-CB 3.43Å; Q371-I375 WeakPolarHBondContact O-CD1 3.39Å; Q371-I375 VanDerWaalsContact O-CG1 3.22Å; Q371-I375 WeakPolarHBondContact O-CG1 3.3Å; Q371-I375 PolarHBondContact O-N 2.7Å; Q371-T398 HydrophobicContact CB-CG2 4.28Å; Q371-T398 PolarHBondContact OE1-OG1 2.93Å
372	V	85.9	Confident	84.9	Confident	4 Å²	4	63.7 Å²	63.7	2%	0.024	33%	0.326	C	S	.	.	H	α-helix	trans	-62.7	-34.8	175.7	176.2	0	0	0	0	111.9	K368 I369 H376 C392 L395 T398 V586	K368-V372 WeakPolarHBondContact O-CG2 3.2Å; K368-V372 PolarHBondContact O-N 3.23Å; I369-V372 PolarHBondContact O-N 3.32Å; V372-H376 WeakPolarHBondContact CG1-CE1 3.36Å; V372-H376 WeakPolarHBondContact CG1-ND1 3.43Å; V372-H376 PolarHBondContact O-N 2.73Å; V372-H376 PolarHBondContact O-ND1 2.78Å; V372-C392 HydrophobicContact CG1-CB 3.91Å; V372-L395 HydrophobicContact CB-CD2 4.47Å; V372-L395 HydrophobicContact CG1-CD2 3.8Å; V372-L395 HydrophobicContact CG2-CD2 4.09Å; V372-T398 HydrophobicContact CG2-CG2 3.5Å; V372-V586 HydrophobicContact CG1-CG2 4.13Å
373	Y	84.6	Confident	84.8	Confident	43 Å²	43	65.5 Å²	65.5	17%	0.169	33%	0.334	C	S	.	.	H	α-helix	trans	-59.7	-53.4	175	177.6	-82.4	0	0	0	111.3	I369 C370 Q371 I375 H376 Q377 V586 F589 I593	I369-Y373 WeakPolarHBondContact O-CB 3.29Å; I369-Y373 PolarHBondContact O-N 2.75Å; C370-Y373 WeakPolarHBondContact O-CB 3.38Å; C370-Y373 PolarHBondContact O-N 3.2Å; Q371-Y373 VanDerWaalsContact C-N 3.27Å; Q371-Y373 PolarHBondContact O-N 2.76Å; Y373-I375 PolarHBondContact O-N 3.15Å; Y373-H376 PolarHBondContact O-N 3.45Å; Y373-Q377 HydrophobicContact CE1-CG 4.33Å; Y373-Q377 VanDerWaalsContact CZ-CD 3.48Å; Y373-Q377 VanDerWaalsContact CZ-OE1 3.25Å; Y373-Q377 PolarHBondContact O-N 2.97Å; Y373-Q377 PolarHBondContact OH-NE2 2.76Å; Y373-Q377 PolarHBondContact OH-OE1 3.27Å; Y373-Q377 VanDerWaalsContact OH-OE1 3.06Å; Y373-V586 HydrophobicContact CD2-CG1 3.67Å; Y373-V586 HydrophobicContact CE2-CG1 4.06Å; Y373-V586 HydrophobicContact CG-CG1 4.21Å; Y373-F589 HydrophobicContact CD2-CD1 4.21Å; Y373-I593 HydrophobicContact CE2-CD1 4.22Å
374	F	89.6	Confident	84.5	Confident	139 Å²	139	69.3 Å²	69.3	61%	0.61	35%	0.345	S	S	*	.	H	α-helix	trans	-62.1	-43.5	178.6	-63.5	-55.3	0	0	0	112.4	C370 Q371 H376 Q377 D378	C370-F374 HydrophobicContact CB-CE2 4.45Å; C370-F374 WeakPolarHBondContact O-CD2 3.42Å; C370-F374 PolarHBondContact O-N 2.83Å; Q371-F374 PolarHBondContact O-N 2.74Å; F374-H376 PolarHBondContact O-N 2.74Å; F374-H376 VanDerWaalsContact O-N 3.14Å; F374-Q377 PolarHBondContact O-N 2.59Å; F374-D378 PolarHBondContact O-N 2.87Å
375	I	88.4	Confident	83.7	Confident	48 Å²	48	74.2 Å²	74.2	25%	0.246	37%	0.367	C	S	.	.	H	α-helix	trans	-62	-22.6	-179.8	-67.4	164.5	0	0	0	113.4	Q371 Y373 L390 C392 T398	Q371-I375 WeakPolarHBondContact O-CB 3.43Å; Q371-I375 WeakPolarHBondContact O-CD1 3.39Å; Q371-I375 VanDerWaalsContact O-CG1 3.22Å; Q371-I375 WeakPolarHBondContact O-CG1 3.3Å; Q371-I375 PolarHBondContact O-N 2.7Å; Y373-I375 PolarHBondContact O-N 3.15Å; I375-L390 HydrophobicContact CG2-CD2 3.54Å; I375-C392 WeakPolarHBondContact CG2-SG 3.27Å; I375-T398 HydrophobicContact CD1-CG2 4.05Å
376	H	82.7	Confident	82.9	Confident	12 Å²	12	76.4 Å²	76.4	6%	0.056	38%	0.383	C	S	.	.	H	α-helix	trans	-94.1	-10	172.6	-72.5	90.4	0	0	0	114.2	V372 Y373 F374 L390 C392 V586	V372-H376 WeakPolarHBondContact CG1-CE1 3.36Å; V372-H376 WeakPolarHBondContact CG1-ND1 3.43Å; V372-H376 PolarHBondContact O-N 2.73Å; V372-H376 PolarHBondContact O-ND1 2.78Å; Y373-H376 PolarHBondContact O-N 3.45Å; F374-H376 PolarHBondContact O-N 2.74Å; F374-H376 VanDerWaalsContact O-N 3.14Å; H376-L390 PolarHBondContact CD2-O 3.38Å; H376-C392 PolarHBondContact CE1-N 3.22Å; H376-C392 VanDerWaalsContact CE1-SG 3.59Å; H376-C392 PolarHBondContact NE2-N 2.79Å; H376-V586 HydrophobicContact CB-CB 4.02Å; H376-V586 HydrophobicContact CB-CG1 4.04Å; H376-V586 HydrophobicContact CB-CG2 3.8Å; H376-V586 VanDerWaalsContact ND1-CG2 3.31Å; H376-V586 WeakPolarHBondContact ND1-CG2 3.5Å
377	Q	83.4	Confident	82.3	Confident	87 Å²	87	75.4 Å²	75.4	41%	0.407	38%	0.379	S	S	.	.	H	α-helix	trans	-99.3	-6.3	174.1	-68.4	-158.2	-35.2	0	0	112.6	Y373 F374 M379 V586	Y373-Q377 HydrophobicContact CE1-CG 4.33Å; Y373-Q377 VanDerWaalsContact CZ-CD 3.48Å; Y373-Q377 VanDerWaalsContact CZ-OE1 3.25Å; Y373-Q377 PolarHBondContact O-N 2.97Å; Y373-Q377 PolarHBondContact OH-NE2 2.76Å; Y373-Q377 PolarHBondContact OH-OE1 3.27Å; Y373-Q377 VanDerWaalsContact OH-OE1 3.06Å; F374-Q377 PolarHBondContact O-N 2.59Å; Q377-M379 PolarHBondContact O-N 3.36Å; Q377-V586 HydrophobicContact CG-CG1 4.42Å
378	D	88.9	Confident	81.3	Confident	66 Å²	66	74.1 Å²	74.1	35%	0.353	37%	0.373	S	S	.	.			trans	-58.5	128.9	170.1	-157.4	-30.9	0	0	0	110.6	F374 D380 L381	F374-D378 PolarHBondContact O-N 2.87Å; D378-D380 PolarHBondContact OD1-N 3.1Å; D378-L381 HydrophobicContact CB-CB 4.26Å; D378-L381 HydrophobicContact CB-CD1 3.95Å; D378-L381 HydrophobicContact CB-CG 4.19Å; D378-L381 WeakPolarHBondContact OD2-CD1 3.45Å
379	M	86.8	Confident	81	Confident	116 Å²	116	77.8 Å²	77.8	57%	0.571	39%	0.391	S	S	*	.	S	Bend	trans	-99.8	-16.7	-178.3	-71.5	-96.4	48.8	0	0	112.3	Q377 L381 Y382	Q377-M379 PolarHBondContact O-N 3.36Å; M379-L381 PolarHBondContact O-N 2.91Å; M379-Y382 VanDerWaalsContact CE-CB 3.48Å; M379-Y382 HydrophobicContact CE-CD1 4.04Å; M379-Y382 HydrophobicContact CE-CD2 4.32Å; M379-Y382 HydrophobicContact CE-CG 3.68Å; M379-Y382 PolarHBondContact O-N 3.23Å
380	D	87.6	Confident	80.9	Confident	152 Å²	152	78.7 Å²	78.7	81%	0.813	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-10.2	172.7	-54.5	-11.7	0	0	0	110.4	D378	D378-D380 PolarHBondContact OD1-N 3.1Å
381	L	86.3	Confident	80.2	Confident	80 Å²	80	79.9 Å²	79.9	42%	0.419	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	28.6	176.5	-56	176.1	0	0	0	112.5	D378 M379 L390	D378-L381 HydrophobicContact CB-CB 4.26Å; D378-L381 HydrophobicContact CB-CD1 3.95Å; D378-L381 HydrophobicContact CB-CG 4.19Å; D378-L381 WeakPolarHBondContact OD2-CD1 3.45Å; M379-L381 PolarHBondContact O-N 2.91Å; L381-L390 HydrophobicContact CB-CB 4.19Å; L381-L390 HydrophobicContact CB-CD1 4.24Å; L381-L390 HydrophobicContact CD1-CD1 4.18Å; L381-L390 PolarHBondContact O-N 2.93Å
382	Y	85	Confident	79.5	Confident	81 Å²	81	77.8 Å²	77.8	32%	0.318	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.4	174	168.6	-98.1	0	0	0	111.3	M379 E384 D387 S388 Q389	M379-Y382 VanDerWaalsContact CE-CB 3.48Å; M379-Y382 HydrophobicContact CE-CD1 4.04Å; M379-Y382 HydrophobicContact CE-CD2 4.32Å; M379-Y382 HydrophobicContact CE-CG 3.68Å; M379-Y382 PolarHBondContact O-N 3.23Å; Y382-E384 HydrophobicContact CE1-CB 4.35Å; Y382-D387 PolarHBondContact OH-OD1 2.84Å; Y382-S388 WeakPolarHBondContact CD2-O 3.23Å; Y382-Q389 HydrophobicContact CD2-CG 3.87Å; Y382-Q389 HydrophobicContact CE2-CG 4.4Å
383	D	76.7	Confident	78.8	Confident	59 Å²	59	87.8 Å²	87.8	32%	0.316	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	118.5	-179.3	166.7	18.2	0	0	0	111.5	E385 T386 D387 S388	D383-E385 WeakPolarHBondContact OD1-CA 3.48Å; D383-E385 WeakPolarHBondContact OD1-CB 3.47Å; D383-E385 PolarHBondContact OD1-N 2.86Å; D383-T386 PolarHBondContact OD1-N 3.46Å; D383-T386 VanDerWaalsContact OD2-CB 3.23Å; D383-T386 WeakPolarHBondContact OD2-CB 3.44Å; D383-T386 WeakPolarHBondContact OD2-CG2 3.38Å; D383-T386 PolarHBondContact OD2-N 2.91Å; D383-T386 PolarHBondContact OD2-OG1 3.09Å; D383-D387 CarbonylContact O-C 3.55Å; D383-D387 VanDerWaalsContact O-CA 3.27Å; D383-D387 WeakPolarHBondContact O-CA 3.42Å; D383-D387 PolarHBondContact O-N 3.3Å; D383-S388 PolarHBondContact N-O 3.36Å; D383-S388 PolarHBondContact O-N 2.74Å
384	E	76.2	Confident	78.3	Confident	145 Å²	145	87.9 Å²	87.9	68%	0.678	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-22.1	177.9	-155.7	-161.8	136.2	0	0	114	Y382 K502	Y382-E384 HydrophobicContact CE1-CB 4.35Å; E384-K502 PolarHBondContact O-NZ 3.48Å
385	E	66.1	Low	77.6	Confident	140 Å²	140	82.4 Å²	82.4	65%	0.654	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-46.9	173.9	-68.9	-143.4	131.7	0	0	110	D383 K419	D383-E385 WeakPolarHBondContact OD1-CA 3.48Å; D383-E385 WeakPolarHBondContact OD1-CB 3.47Å; D383-E385 PolarHBondContact OD1-N 2.86Å; E385-K419 IonicContact OE2-NZ 2.66Å
386	T	62.7	Low	77.1	Confident	81 Å²	81	81.5 Å²	81.5	50%	0.497	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-3.5	-179.1	71.7	0	0	0	0	115.9	D383 S388 R579	D383-T386 PolarHBondContact OD1-N 3.46Å; D383-T386 VanDerWaalsContact OD2-CB 3.23Å; D383-T386 WeakPolarHBondContact OD2-CB 3.44Å; D383-T386 WeakPolarHBondContact OD2-CG2 3.38Å; D383-T386 PolarHBondContact OD2-N 2.91Å; D383-T386 PolarHBondContact OD2-OG1 3.09Å; T386-S388 VanDerWaalsContact C-N 3.25Å; T386-S388 PolarHBondContact O-N 2.85Å; T386-S388 VanDerWaalsContact OG1-CB 3.23Å; T386-S388 WeakPolarHBondContact OG1-CB 3.47Å; T386-S388 PolarHBondContact OG1-OG 3.47Å; T386-R579 PolarHBondContact O-NH2 3.34Å
387	D	71.1	Confident	77.2	Confident	68 Å²	68	82.6 Å²	82.6	36%	0.364	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	40.7	-172.1	171	70	0	0	0	111.2	Y382 D383 R577 R579	Y382-D387 PolarHBondContact OH-OD1 2.84Å; D383-D387 CarbonylContact O-C 3.55Å; D383-D387 VanDerWaalsContact O-CA 3.27Å; D383-D387 WeakPolarHBondContact O-CA 3.42Å; D383-D387 PolarHBondContact O-N 3.3Å; D387-R577 IonicContact OD2-CZ 2.99Å; D387-R577 IonicContact OD2-NH2 3.51Å; D387-R577 PolarHBondContact OD2-NH2 2.98Å; D387-R579 PolarHBondContact O-NH2 3.36Å; D387-R579 IonicContact OD2-CZ 3.01Å; D387-R579 IonicContact OD2-NH1 2.8Å; D387-R579 PolarHBondContact OD2-NH1 3.44Å; D387-R579 IonicContact OD2-NH2 2.78Å; D387-R579 PolarHBondContact OD2-NH2 3.42Å
388	S	65.6	Low	77.4	Confident	51 Å²	51	79.3 Å²	79.3	36%	0.357	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	137.4	-170.3	85	0	0	0	0	114.1	Y382 D383 T386	Y382-S388 WeakPolarHBondContact CD2-O 3.23Å; D383-S388 PolarHBondContact N-O 3.36Å; D383-S388 PolarHBondContact O-N 2.74Å; T386-S388 VanDerWaalsContact C-N 3.25Å; T386-S388 PolarHBondContact O-N 2.85Å; T386-S388 VanDerWaalsContact OG1-CB 3.23Å; T386-S388 WeakPolarHBondContact OG1-CB 3.47Å; T386-S388 PolarHBondContact OG1-OG 3.47Å
389	Q	76	Confident	77.4	Confident	92 Å²	92	77.6 Å²	77.6	43%	0.43	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	140.5	174.5	-60.9	-177	-62.3	0	0	109.1	Y382 Q391	Y382-Q389 HydrophobicContact CD2-CG 3.87Å; Y382-Q389 HydrophobicContact CE2-CG 4.4Å; Q389-Q391 PolarHBondContact O-N 3.3Å
390	L	79.6	Confident	77.5	Confident	69 Å²	69	72.6 Å²	72.6	36%	0.361	37%	0.365	S	S	.	.			trans	-54.2	137.9	175.4	-177.2	144.4	0	0	0	112.2	I375 H376 L381	I375-L390 HydrophobicContact CG2-CD2 3.54Å; H376-L390 PolarHBondContact CD2-O 3.38Å; L381-L390 HydrophobicContact CB-CB 4.19Å; L381-L390 HydrophobicContact CB-CD1 4.24Å; L381-L390 HydrophobicContact CD1-CD1 4.18Å; L381-L390 PolarHBondContact O-N 2.93Å
391	Q	72.6	Confident	77.6	Confident	77 Å²	77	70.4 Å²	70.4	36%	0.36	35%	0.353	S	S	.	.			trans	-123.2	104.7	-173	-175.4	-168.7	68.4	0	0	112.2	Q389 R393	Q389-Q391 PolarHBondContact O-N 3.3Å; Q391-R393 HydrophobicContact CG-CG 4.41Å; Q391-R393 PolarHBondContact O-N 3Å
392	C	74.3	Confident	77.7	Confident	23 Å²	23	70.4 Å²	70.4	16%	0.155	37%	0.372	C	S	.	.			trans	-73.2	99.8	173.8	-48.4	0	0	0	0	111	V372 I375 H376 A394	V372-C392 HydrophobicContact CG1-CB 3.91Å; I375-C392 WeakPolarHBondContact CG2-SG 3.27Å; H376-C392 PolarHBondContact CE1-N 3.22Å; H376-C392 VanDerWaalsContact CE1-SG 3.59Å; H376-C392 PolarHBondContact NE2-N 2.79Å; C392-A394 VanDerWaalsContact C-N 3.35Å
393	R	71.4	Confident	77.9	Confident	215 Å²	215	69.8 Å²	69.8	81%	0.811	37%	0.372	S	S	*	.	S	Bend	trans	-73.9	-20.9	177.9	-64.8	-176.3	-177.8	160.9	6.8	114.2	Q391	Q391-R393 HydrophobicContact CG-CG 4.41Å; Q391-R393 PolarHBondContact O-N 3Å
394	A	72.7	Confident	78.5	Confident	45 Å²	45	68.6 Å²	68.6	37%	0.372	37%	0.365	S	S	.	.			trans	-125.8	119.8	178.5	0	0	0	0	0	110.4	C392 I397	C392-A394 VanDerWaalsContact C-N 3.35Å; A394-I397 HydrophobicContact CB-CD1 4.13Å; A394-I397 HydrophobicContact CB-CG1 4.11Å
395	L	75.9	Confident	79.2	Confident	24 Å²	24	66.1 Å²	66.1	13%	0.126	35%	0.354	C	S	.	.	S	Bend	trans	-89.8	-10.6	-170.7	-50.1	178.5	0	0	0	114.1	V372 P585	V372-L395 HydrophobicContact CB-CD2 4.47Å; V372-L395 HydrophobicContact CG1-CD2 3.8Å; V372-L395 HydrophobicContact CG2-CD2 4.09Å; L395-P585 HydrophobicContact CD2-CG 3.91Å
396	N	77.7	Confident	80.5	Confident	29 Å²	29	60.1 Å²	60.1	16%	0.155	33%	0.325	C	S	.	.	S	Bend	trans	-102.2	3.9	-165.7	-59.1	-13.1	0	0	0	113.9	K108 Y280 K368	K108-N396 PolarHBondContact NZ-OD1 3.33Å; Y280-N396 VanDerWaalsContact CE2-ND2 3.34Å; Y280-N396 WeakPolarHBondContact CE2-ND2 3.23Å; K368-N396 PolarHBondContact NZ-O 2.89Å
397	I	85.8	Confident	82	Confident	35 Å²	35	57.1 Å²	57.1	18%	0.179	31%	0.305	C	S	.	.			trans	-135.4	22	-169.1	60.1	164.8	0	0	0	113.8	K281 A394 E399 D400	K281-I397 HydrophobicContact CB-CD1 4.37Å; K281-I397 HydrophobicContact CB-CG2 3.88Å; K281-I397 HydrophobicContact CD-CD1 3.75Å; A394-I397 HydrophobicContact CB-CD1 4.13Å; A394-I397 HydrophobicContact CB-CG1 4.11Å; I397-E399 PolarHBondContact O-N 2.92Å; I397-D400 HydrophobicContact CB-CB 4.45Å; I397-D400 PolarHBondContact O-N 3.24Å
398	T	87.4	Confident	83.1	Confident	17 Å²	17	54.1 Å²	54.1	10%	0.104	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-60	-34.8	178.2	38.9	0	0	0	0	112.4	Q371 V372 I375 D400	Q371-T398 HydrophobicContact CB-CG2 4.28Å; Q371-T398 PolarHBondContact OE1-OG1 2.93Å; V372-T398 HydrophobicContact CG2-CG2 3.5Å; I375-T398 HydrophobicContact CD1-CG2 4.05Å; T398-D400 VanDerWaalsContact C-N 3.35Å
399	E	87.6	Confident	84.3	Confident	30 Å²	30	52 Å²	52	14%	0.14	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-75.8	-21.6	-179.7	80.5	-83.1	-149.2	0	0	113.8	S283 L285 K368 I397 L401 G402	S283-E399 WeakPolarHBondContact CB-OE1 3.36Å; S283-E399 PolarHBondContact OG-OE1 3.38Å; L285-E399 HydrophobicContact CB-CG 4.12Å; L285-E399 WeakPolarHBondContact CB-OE1 3.35Å; L285-E399 HydrophobicContact CD2-CG 4.23Å; K368-E399 VanDerWaalsContact CE-CD 3.49Å; K368-E399 VanDerWaalsContact CE-OE1 3.23Å; K368-E399 WeakPolarHBondContact CE-OE1 3.39Å; K368-E399 WeakPolarHBondContact CE-OE2 3.35Å; K368-E399 IonicContact NZ-OE1 2.63Å; K368-E399 PolarHBondContact NZ-OE1 3.4Å; K368-E399 IonicContact NZ-OE2 3.72Å; K368-E399 PolarHBondContact NZ-OE2 3.25Å; I397-E399 PolarHBondContact O-N 2.92Å; E399-L401 PolarHBondContact O-N 2.83Å; E399-G402 PolarHBondContact O-N 2.89Å
400	D	89.3	Confident	84.9	Confident	12 Å²	12	48.4 Å²	48.4	6%	0.064	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-66	-28.3	179.3	-75.1	-21.2	0	0	0	111	S283 K284 I397 T398 G402 Q403 M404 M1013	S283-D400 WeakPolarHBondContact CA-OD2 3.46Å; S283-D400 WeakPolarHBondContact CB-OD1 3.43Å; K284-D400 PolarHBondContact N-OD1 2.92Å; I397-D400 HydrophobicContact CB-CB 4.45Å; I397-D400 PolarHBondContact O-N 3.24Å; T398-D400 VanDerWaalsContact C-N 3.35Å; D400-G402 VanDerWaalsContact C-N 3.29Å; D400-G402 PolarHBondContact O-N 3.12Å; D400-Q403 PolarHBondContact O-N 3.39Å; D400-M404 HydrophobicContact CB-CE 3.88Å; D400-M404 WeakPolarHBondContact O-CE 3.49Å; D400-M404 PolarHBondContact O-N 3.23Å; D400-M1013 HydrophobicContact CB-CE 3.69Å; D400-M1013 WeakPolarHBondContact OD1-CE 3.47Å
401	L	89.3	Confident	85.1	Confident	106 Å²	106	45.1 Å²	45.1	56%	0.555	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-56.6	-41.9	179.2	-65.7	174.6	0	0	0	112	E399 Q403 M404 L1015	E399-L401 PolarHBondContact O-N 2.83Å; L401-Q403 PolarHBondContact O-N 3.22Å; L401-M404 WeakPolarHBondContact O-CG 3.33Å; L401-M404 PolarHBondContact O-N 3.1Å; L401-L1015 HydrophobicContact CD2-CD1 4.21Å
402	G	88.8	Confident	85.3	Confident	79 Å²	79	42.6 Å²	42.6	81%	0.814	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-74.4	2.4	176.2	0	0	0	0	0	114.8	E399 D400	E399-G402 PolarHBondContact O-N 2.89Å; D400-G402 VanDerWaalsContact C-N 3.29Å; D400-G402 PolarHBondContact O-N 3.12Å
403	Q	88.6	Confident	85.3	Confident	69 Å²	69	42 Å²	42	32%	0.322	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-119.2	5.9	178.8	-56.8	-165.2	17.6	0	0	113.5	D400 L401 M1013	D400-Q403 PolarHBondContact O-N 3.39Å; L401-Q403 PolarHBondContact O-N 3.22Å; Q403-M1013 HydrophobicContact CB-CG 4.26Å; Q403-M1013 WeakPolarHBondContact O-CB 3.28Å
404	M	89.9	Confident	85.9	Confident	33 Å²	33	32.6 Å²	32.6	16%	0.163	20%	0.195	C	C	.	.			trans	-62.5	149	179.4	-67.2	-64.1	143.2	0	0	111.7	D400 L401 L863 M1013 L1015	D400-M404 HydrophobicContact CB-CE 3.88Å; D400-M404 WeakPolarHBondContact O-CE 3.49Å; D400-M404 PolarHBondContact O-N 3.23Å; L401-M404 WeakPolarHBondContact O-CG 3.33Å; L401-M404 PolarHBondContact O-N 3.1Å; M404-L863 HydrophobicContact CB-CD2 4.39Å; M404-L863 WeakPolarHBondContact O-CD2 3.25Å; M404-M1013 HydrophobicContact CE-CB 4.06Å; M404-M1013 HydrophobicContact CE-CE 4.01Å; M404-M1013 HydrophobicContact SD-CB 3.93Å; M404-L1015 HydrophobicContact CG-CB 4.09Å; M404-L1015 HydrophobicContact CG-CD1 4.38Å; M404-L1015 HydrophobicContact SD-CB 3.78Å; M404-L1015 PolarHBondContact SD-N 2.82Å; M404-L1015 VanDerWaalsContact SD-N 3.45Å
405	Q	90.9	Very high	86.6	Confident	94 Å²	94	31 Å²	31	44%	0.439	18%	0.18	S	C	.	.			trans	-133.2	-33.4	179.1	-67.4	-178.6	-10.5	0	0	112.4	Q864 M1013	Q405-Q864 PolarHBondContact O-N 3.44Å; Q405-M1013 PolarHBondContact N-O 3.28Å; Q405-M1013 VanDerWaalsContact N-O 3.08Å
406	Y	93.2	Very high	87	Confident	14 Å²	14	29.9 Å²	29.9	6%	0.055	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129.4	175.8	-72.2	-102.7	0	0	0	110.1	Q864 W866 V1006 L1010 V1012 M1013 T1014 L1015	Y406-Q864 CarbonylContact C-O 3.56Å; Y406-Q864 WeakPolarHBondContact CA-O 3.36Å; Y406-Q864 HydrophobicContact CD1-CB 3.68Å; Y406-Q864 HydrophobicContact CD1-CG 4.42Å; Y406-Q864 HydrophobicContact CE1-CB 3.68Å; Y406-Q864 HydrophobicContact CE1-CG 4.02Å; Y406-Q864 HydrophobicContact CE2-CG 4.49Å; Y406-Q864 HydrophobicContact CG-CB 4.19Å; Y406-W866 AromaticContact CD1-CE2 3.87Å; Y406-W866 HydrophobicContact CD1-CZ2 4.16Å; Y406-W866 AromaticContact CD1-NE1 3.75Å; Y406-W866 AromaticContact CE1-CE2 3.78Å; Y406-W866 AromaticContact CE1-CZ2 3.72Å; Y406-W866 HydrophobicContact CE1-CZ2 3.72Å; Y406-W866 AromaticContact CE1-NE1 3.69Å; Y406-V1006 HydrophobicContact CD1-CG1 4.15Å; Y406-V1006 HydrophobicContact CD2-CG1 4.27Å; Y406-V1006 HydrophobicContact CE1-CG1 4.42Å; Y406-V1006 HydrophobicContact CG-CG1 4.08Å; Y406-L1010 HydrophobicContact CE2-CD1 4.23Å; Y406-V1012 HydrophobicContact CD2-CB 4.23Å; Y406-V1012 HydrophobicContact CD2-CG2 3.64Å; Y406-V1012 HydrophobicContact CE2-CB 4.43Å; Y406-V1012 HydrophobicContact CE2-CG1 4.29Å; Y406-V1012 HydrophobicContact CE2-CG2 3.99Å; Y406-M1013 PolarHBondContact N-O 3.11Å; Y406-T1014 WeakPolarHBondContact O-CA 3.35Å; Y406-L1015 PolarHBondContact O-N 3.2Å
407	I	94.1	Very high	86.9	Confident	17 Å²	17	30 Å²	30	9%	0.087	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	124.1	170.6	-65.9	176	0	0	0	108	L858 L863 Q864 I865 W866 L1015 I1017	I407-L858 HydrophobicContact CD1-CD1 3.89Å; I407-L858 HydrophobicContact CD1-CD2 3.99Å; I407-L858 HydrophobicContact CD1-CG 4.4Å; I407-L863 HydrophobicContact CD1-CB 4.44Å; I407-L863 HydrophobicContact CD1-CD1 4.01Å; I407-Q864 PolarHBondContact N-O 3.23Å; I407-I865 HydrophobicContact CB-CG1 4.42Å; I407-I865 WeakPolarHBondContact O-CA 3.13Å; I407-W866 PolarHBondContact O-N 3.32Å; I407-L1015 WeakPolarHBondContact CA-O 3.38Å; I407-L1015 HydrophobicContact CG1-CB 4.28Å; I407-L1015 HydrophobicContact CG1-CD2 4.33Å; I407-L1015 HydrophobicContact CG2-CD2 4.08Å; I407-I1017 HydrophobicContact CG2-CG2 4.25Å
408	F	94.2	Very high	86.2	Confident	5 Å²	5	29.6 Å²	29.6	2%	0.022	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	110	172.1	-61.1	-86.9	0	0	0	108.7	W866 L868 V1002 V1003 V1006 T1014 L1015 A1016 I1017	F408-W866 WeakPolarHBondContact CA-O 3.34Å; F408-W866 HydrophobicContact CD1-CB 3.87Å; F408-W866 HydrophobicContact CD1-CE3 4.34Å; F408-W866 HydrophobicContact CD1-CG 4.48Å; F408-W866 HydrophobicContact CE1-CB 4.07Å; F408-W866 AromaticContact CE1-CD2 3.91Å; F408-W866 HydrophobicContact CE1-CD2 3.91Å; F408-W866 AromaticContact CE1-CE3 3.53Å; F408-W866 HydrophobicContact CE1-CE3 3.53Å; F408-W866 HydrophobicContact CE1-CG 4.2Å; F408-W866 HydrophobicContact CE1-CZ3 4.2Å; F408-W866 HydrophobicContact CZ-CE3 4.37Å; F408-L868 HydrophobicContact CB-CD1 4.12Å; F408-L868 HydrophobicContact CD1-CD1 3.85Å; F408-L868 HydrophobicContact CD1-CD2 4.48Å; F408-L868 HydrophobicContact CD1-CG 4.29Å; F408-L868 HydrophobicContact CG-CD1 4.38Å; F408-V1002 HydrophobicContact CD1-CG1 4.48Å; F408-V1002 HydrophobicContact CE1-CG1 3.95Å; F408-V1003 HydrophobicContact CB-CG2 4.01Å; F408-V1003 HydrophobicContact CD1-CG2 3.99Å; F408-V1003 HydrophobicContact CD2-CB 4.48Å; F408-V1003 HydrophobicContact CD2-CG1 4.18Å; F408-V1003 HydrophobicContact CD2-CG2 3.84Å; F408-V1003 HydrophobicContact CE1-CG2 4.42Å; F408-V1003 HydrophobicContact CE2-CG1 4.25Å; F408-V1003 HydrophobicContact CE2-CG2 4.31Å; F408-V1003 HydrophobicContact CG-CG2 3.66Å; F408-V1006 HydrophobicContact CE1-CG2 4.34Å; F408-V1006 HydrophobicContact CZ-CB 3.85Å; F408-V1006 HydrophobicContact CZ-CG1 3.96Å; F408-V1006 HydrophobicContact CZ-CG2 3.9Å; F408-T1014 HydrophobicContact CE2-CG2 3.79Å; F408-L1015 WeakPolarHBondContact CD2-O 3.49Å; F408-L1015 PolarHBondContact N-O 2.87Å; F408-A1016 HydrophobicContact CB-CB 4.5Å; F408-A1016 WeakPolarHBondContact O-CA 3.46Å; F408-I1017 PolarHBondContact O-N 3.5Å
409	S	91.5	Very high	85.7	Confident	7 Å²	7	31.2 Å²	31.2	5%	0.049	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	138.3	178.6	-163.3	0	0	0	0	110.7	W866 V867 L868	S409-W866 PolarHBondContact N-O 2.91Å; S409-V867 WeakPolarHBondContact O-CA 3.31Å; S409-L868 PolarHBondContact O-N 3.21Å
410	D	87.8	Confident	85.3	Confident	16 Å²	16	29.9 Å²	29.9	9%	0.086	17%	0.172	C	C	.	.			trans	-70.3	165.8	151.6	-140.1	-37.1	0	0	0	110	K999 I1017	D410-K999 IonicContact OD1-NZ 3.35Å; D410-K999 PolarHBondContact OD1-NZ 2.89Å; D410-K999 IonicContact OD2-NZ 2.68Å; D410-K999 PolarHBondContact OD2-NZ 2.89Å; D410-I1017 PolarHBondContact N-O 2.91Å
411	K	84.3	Confident	85	Confident	1 Å²	1	29.9 Å²	29.9	0%	0.004	17%	0.172	C	C	.	.	S	Bend	trans	-101.1	-59.5	-176.9	-179.7	-109	101.3	-169.4	0	111.3	L415 T416 D845 V867 D871 I879	K411-L415 WeakPolarHBondContact O-CA 3.33Å; K411-L415 WeakPolarHBondContact O-CB 3.28Å; K411-L415 PolarHBondContact O-N 3.47Å; K411-T416 PolarHBondContact O-N 2.76Å; K411-T416 VanDerWaalsContact O-N 3.14Å; K411-D845 IonicContact NZ-OD2 3.24Å; K411-D845 PolarHBondContact NZ-OD2 2.92Å; K411-V867 HydrophobicContact CB-CG1 3.98Å; K411-D871 WeakPolarHBondContact CD-OD2 3.37Å; K411-D871 WeakPolarHBondContact CE-OD2 3.38Å; K411-D871 IonicContact NZ-OD2 3.91Å; K411-D871 PolarHBondContact NZ-OD2 3.13Å; K411-I879 HydrophobicContact CD-CD1 3.72Å; K411-I879 HydrophobicContact CD-CG2 4.48Å; K411-I879 HydrophobicContact CG-CD1 4.34Å; K411-I879 HydrophobicContact CG-CG2 3.93Å
412	T	76.6	Confident	84.9	Confident	23 Å²	23	25 Å²	25	14%	0.141	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	134.9	177.8	-50.9	0	0	0	0	109.6	T414	T412-T414 PolarHBondContact O-N 3.31Å
413	G	74.6	Confident	84.8	Confident	11 Å²	11	23.7 Å²	23.7	11%	0.113	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	71	10.6	179.2	0	0	0	0	0	114.9	T416 Q848 E1019	G413-T416 CarbonylContact C-O 3.54Å; G413-T416 VanDerWaalsContact CA-O 3.24Å; G413-T416 WeakPolarHBondContact CA-O 3.24Å; G413-T416 PolarHBondContact N-O 3.43Å; G413-Q848 VanDerWaalsContact C-NE2 3.31Å; G413-Q848 PolarHBondContact O-NE2 3.03Å; G413-E1019 WeakPolarHBondContact CA-OE2 3.44Å
414	T	84.7	Confident	84.9	Confident	18 Å²	18	23 Å²	23	11%	0.11	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-148.5	-38.5	-176.5	-59.3	0	0	0	0	113.4	T412 T416 I1017 G1018 E1019	T412-T414 PolarHBondContact O-N 3.31Å; T414-T416 PolarHBondContact N-O 3.09Å; T414-I1017 HydrophobicContact CG2-CB 4.42Å; T414-I1017 HydrophobicContact CG2-CD1 4.18Å; T414-I1017 HydrophobicContact CG2-CG1 3.83Å; T414-I1017 HydrophobicContact CG2-CG2 4.06Å; T414-G1018 VanDerWaalsContact OG1-CA 3.29Å; T414-G1018 WeakPolarHBondContact OG1-CA 3.47Å; T414-E1019 PolarHBondContact OG1-N 2.97Å
415	L	86.6	Confident	85.1	Confident	11 Å²	11	21.4 Å²	21.4	6%	0.058	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-24.6	160.9	-59.5	-179.7	0	0	0	111.2	K411 L847 Q848 V851 I855 V867	K411-L415 WeakPolarHBondContact O-CA 3.33Å; K411-L415 WeakPolarHBondContact O-CB 3.28Å; K411-L415 PolarHBondContact O-N 3.47Å; L415-L847 CarbonylContact O-C 3.58Å; L415-L847 VanDerWaalsContact O-CA 3.25Å; L415-L847 WeakPolarHBondContact O-CA 3.47Å; L415-Q848 PolarHBondContact O-N 2.82Å; L415-V851 HydrophobicContact CD2-CG1 3.92Å; L415-I855 HydrophobicContact CD2-CD1 3.92Å; L415-V867 HydrophobicContact CD1-CG1 4.29Å; L415-V867 HydrophobicContact CD1-CG2 3.82Å
416	T	83.6	Confident	85.2	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	152.7	175.8	74.1	0	0	0	0	113.1	K411 G413 T414 N418 D845 R846 L847 Q848 I879	K411-T416 PolarHBondContact O-N 2.76Å; K411-T416 VanDerWaalsContact O-N 3.14Å; G413-T416 CarbonylContact C-O 3.54Å; G413-T416 VanDerWaalsContact CA-O 3.24Å; G413-T416 WeakPolarHBondContact CA-O 3.24Å; G413-T416 PolarHBondContact N-O 3.43Å; T414-T416 PolarHBondContact N-O 3.09Å; T416-N418 PolarHBondContact O-N 2.83Å; T416-D845 WeakPolarHBondContact CB-OD1 3.47Å; T416-D845 HydrophobicContact CG2-CB 4.41Å; T416-D845 VanDerWaalsContact OG1-CG 3.32Å; T416-D845 PolarHBondContact OG1-OD1 3.04Å; T416-D845 PolarHBondContact OG1-OD2 3.41Å; T416-R846 CarbonylContact C-O 3.59Å; T416-R846 WeakPolarHBondContact CA-O 3.15Å; T416-R846 WeakPolarHBondContact CB-O 3.43Å; T416-L847 HydrophobicContact CG2-CD2 4.13Å; T416-Q848 VanDerWaalsContact C-CG 3.43Å; T416-Q848 PolarHBondContact O-NE2 3.01Å; T416-I879 HydrophobicContact CG2-CD1 4.26Å
417	E	75.6	Confident	85.2	Confident	31 Å²	31	16.3 Å²	16.3	15%	0.145	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-6.7	177.2	-64	174.4	-142.1	0	0	113	K419 R846 Q848	E417-K419 HydrophobicContact CB-CB 4.32Å; E417-K419 HydrophobicContact CB-CD 4.16Å; E417-K419 HydrophobicContact CB-CG 3.96Å; E417-K419 PolarHBondContact O-N 2.8Å; E417-K419 VanDerWaalsContact O-N 3.09Å; E417-K419 WeakPolarHBondContact OE2-CD 3.28Å; E417-K419 WeakPolarHBondContact OE2-CE 3.47Å; E417-K419 IonicContact OE2-NZ 3.86Å; E417-K419 PolarHBondContact OE2-NZ 3.42Å; E417-R846 PolarHBondContact N-O 3.47Å; E417-R846 WeakPolarHBondContact OE1-CD 3.27Å; E417-R846 WeakPolarHBondContact OE1-CG 3.3Å; E417-R846 IonicContact OE1-CZ 2.87Å; E417-R846 IonicContact OE1-NE 3.96Å; E417-R846 PolarHBondContact OE1-NE 3.06Å; E417-R846 IonicContact OE1-NH2 2.61Å; E417-R846 IonicContact OE2-NE 3.1Å; E417-Q848 HydrophobicContact CG-CB 4.11Å; E417-Q848 HydrophobicContact CG-CG 3.76Å
418	N	73	Confident	84.9	Confident	28 Å²	28	16.6 Å²	16.6	15%	0.15	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	59.1	15.3	-171.7	-157.6	33.6	0	0	0	113.6	T416 M420	T416-N418 PolarHBondContact O-N 2.83Å; N418-M420 HydrophobicContact CB-CE 4.46Å; N418-M420 WeakPolarHBondContact OD1-CE 3.35Å
419	K	76.2	Confident	84.5	Confident	51 Å²	51	16.4 Å²	16.4	22%	0.222	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	115.5	170.4	-60.7	178.7	-160.5	155.5	0	108.5	E385 E417 R846	E385-K419 IonicContact OE2-NZ 2.66Å; E417-K419 HydrophobicContact CB-CB 4.32Å; E417-K419 HydrophobicContact CB-CD 4.16Å; E417-K419 HydrophobicContact CB-CG 3.96Å; E417-K419 PolarHBondContact O-N 2.8Å; E417-K419 VanDerWaalsContact O-N 3.09Å; E417-K419 WeakPolarHBondContact OE2-CD 3.28Å; E417-K419 WeakPolarHBondContact OE2-CE 3.47Å; E417-K419 IonicContact OE2-NZ 3.86Å; E417-K419 PolarHBondContact OE2-NZ 3.42Å; K419-R846 PolarHBondContact O-N 2.75Å
420	M	79.3	Confident	84.4	Confident	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	125.3	-170.7	-63.1	-57	153.9	0	0	112	N418 P677 A681 V843 E844 D845	N418-M420 HydrophobicContact CB-CE 4.46Å; N418-M420 WeakPolarHBondContact OD1-CE 3.35Å; M420-P677 HydrophobicContact CB-CB 4.47Å; M420-P677 HydrophobicContact CE-CG 4.11Å; M420-P677 HydrophobicContact CG-CB 3.76Å; M420-P677 HydrophobicContact CG-CG 3.98Å; M420-A681 HydrophobicContact CB-CB 3.74Å; M420-A681 WeakPolarHBondContact O-CB 3.16Å; M420-V843 HydrophobicContact CB-CG1 3.8Å; M420-V843 HydrophobicContact CG-CG1 4.49Å; M420-V843 HydrophobicContact SD-CG1 4.44Å; M420-E844 CarbonylContact C-O 3.46Å; M420-E844 WeakPolarHBondContact CA-O 3.23Å; M420-D845 HydrophobicContact CE-CB 4.18Å; M420-D845 WeakPolarHBondContact CE-OD1 3.15Å; M420-D845 HydrophobicContact SD-CB 3.87Å
421	V	82.8	Confident	84.6	Confident	13 Å²	13	20.7 Å²	20.7	8%	0.079	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	130.7	-178.6	-169.8	0	0	0	0	112.4	R423 I441 V843 E844	V421-R423 PolarHBondContact O-N 3.02Å; V421-I441 HydrophobicContact CB-CD1 3.89Å; V421-I441 HydrophobicContact CG1-CD1 3.7Å; V421-I441 HydrophobicContact CG2-CD1 4.06Å; V421-V843 WeakPolarHBondContact O-CA 3.45Å; V421-E844 PolarHBondContact N-O 3.29Å; V421-E844 PolarHBondContact O-N 3.04Å
422	F	87.6	Confident	85	Confident	2 Å²	2	21 Å²	21	1%	0.009	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	109.3	179.1	-164.5	-91	0	0	0	111.3	C425 H434 N437 V514 L682 A685 T841 V843	F422-C425 HydrophobicContact CE1-CB 4.18Å; F422-C425 HydrophobicContact CZ-CB 3.78Å; F422-H434 AromaticContact CD1-CD2 3.81Å; F422-H434 AromaticContact CE1-CD2 3.99Å; F422-H434 AromaticContact CE1-NE2 3.94Å; F422-N437 PolarHBondContact O-ND2 3.35Å; F422-V514 HydrophobicContact CB-CG1 4.34Å; F422-L682 HydrophobicContact CD2-CD2 4.03Å; F422-L682 HydrophobicContact CE2-CD2 3.85Å; F422-A685 HydrophobicContact CB-CB 3.86Å; F422-A685 HydrophobicContact CD1-CB 4Å; F422-A685 HydrophobicContact CD2-CB 3.41Å; F422-A685 VanDerWaalsContact CD2-CB 3.41Å; F422-A685 HydrophobicContact CE1-CB 4.34Å; F422-A685 HydrophobicContact CE2-CB 3.8Å; F422-A685 HydrophobicContact CG-CB 3.5Å; F422-A685 HydrophobicContact CZ-CB 4.24Å; F422-T841 HydrophobicContact CE2-CG2 3.65Å; F422-T841 HydrophobicContact CZ-CG2 4.04Å; F422-V843 HydrophobicContact CD2-CG2 4.34Å
423	R	86.1	Confident	85.3	Confident	52 Å²	52	22 Å²	22	20%	0.196	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-43.4	-176	-78.3	-65.3	-163.6	111.1	-6.8	113.8	V421 H434 L788 G842 E844	V421-R423 PolarHBondContact O-N 3.02Å; R423-H434 WeakPolarHBondContact O-CA 3.41Å; R423-H434 VanDerWaalsContact O-CB 3.27Å; R423-H434 WeakPolarHBondContact O-CB 3.39Å; R423-H434 PolarHBondContact O-CE1 2.89Å; R423-H434 PolarHBondContact O-N 3.41Å; R423-L788 HydrophobicContact CB-CD1 4.1Å; R423-L788 HydrophobicContact CB-CD2 3.88Å; R423-L788 HydrophobicContact CG-CD2 3.9Å; R423-G842 PolarHBondContact N-O 2.82Å; R423-G842 VanDerWaalsContact N-O 3.11Å; R423-E844 HydrophobicContact CG-CB 3.6Å; R423-E844 IonicContact CZ-OE1 3.01Å; R423-E844 IonicContact CZ-OE2 3.87Å; R423-E844 VanDerWaalsContact NE-CD 3.31Å; R423-E844 IonicContact NE-OE1 2.81Å; R423-E844 PolarHBondContact NE-OE1 2.74Å; R423-E844 IonicContact NE-OE2 2.72Å; R423-E844 PolarHBondContact NE-OE2 2.96Å; R423-E844 IonicContact NH1-OE1 2.59Å; R423-E844 IonicContact NH2-OE1 3.81Å; R423-E844 PolarHBondContact NH2-OE1 2.65Å; R423-E844 IonicContact NH2-OE2 2.91Å; R423-E844 PolarHBondContact NH2-OE2 3.25Å
424	R	90.6	Very high	85.9	Confident	54 Å²	54	21.7 Å²	21.7	20%	0.204	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	158.8	-177.3	-57.1	-165.7	-170.1	143.3	18.3	112.3	E431 Y783 D786 L788 G842	R424-E431 IonicContact NH1-OE1 3.25Å; R424-Y783 HydrophobicContact CB-CE1 3.89Å; R424-Y783 HydrophobicContact CB-CE2 3.92Å; R424-Y783 HydrophobicContact CG-CE1 4.33Å; R424-D786 IonicContact CZ-OD2 2.74Å; R424-D786 IonicContact NH1-OD2 2.73Å; R424-D786 PolarHBondContact NH1-OD2 3.21Å; R424-D786 IonicContact NH2-OD2 3.42Å; R424-D786 PolarHBondContact NH2-OD2 2.89Å; R424-L788 HydrophobicContact CB-CD1 4.42Å; R424-L788 HydrophobicContact CG-CD1 4.22Å; R424-G842 PolarHBondContact N-O 3.27Å; R424-G842 VanDerWaalsContact N-O 3.1Å; R424-G842 PolarHBondContact O-N 3.28Å
425	C	93.4	Very high	85.3	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	156	164.7	58.8	0	0	0	0	112	F422 Y432 H434 F554 Y783 A840 T841	F422-C425 HydrophobicContact CE1-CB 4.18Å; F422-C425 HydrophobicContact CZ-CB 3.78Å; C425-Y432 PolarHBondContact N-O 3.18Å; C425-Y432 PolarHBondContact O-N 3Å; C425-H434 PolarHBondContact SG-NE2 3.25Å; C425-F554 HydrophobicContact CB-CE1 4.41Å; C425-F554 HydrophobicContact CB-CZ 4.15Å; C425-Y783 PolarHBondContact O-OH 2.9Å; C425-A840 CarbonylContact C-O 3.41Å; C425-A840 VanDerWaalsContact CA-O 3.31Å; C425-A840 WeakPolarHBondContact CA-O 3.39Å; C425-T841 HydrophobicContact CB-CG2 4.33Å
426	T	94.1	Very high	84.7	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	137.6	162.2	61.2	0	0	0	0	110.2	V430 E431 Y779 Y783 G839 A840	T426-V430 CarbonylContact C-O 3.53Å; T426-V430 WeakPolarHBondContact CA-O 3.37Å; T426-E431 HydrophobicContact CG2-CB 4.27Å; T426-Y779 VanDerWaalsContact CG2-CB 3.46Å; T426-Y779 HydrophobicContact CG2-CD2 3.61Å; T426-Y779 HydrophobicContact CG2-CE2 4.5Å; T426-Y779 HydrophobicContact CG2-CG 3.67Å; T426-Y783 HydrophobicContact CG2-CE2 4.17Å; T426-Y783 VanDerWaalsContact CG2-OH 3.3Å; T426-Y783 WeakPolarHBondContact CG2-OH 3.21Å; T426-G839 CarbonylContact O-C 3.57Å; T426-G839 WeakPolarHBondContact O-CA 3.18Å; T426-A840 PolarHBondContact N-O 2.81Å; T426-A840 PolarHBondContact O-N 3.06Å; T426-A840 PolarHBondContact OG1-N 3.23Å
427	V	92.8	Very high	84.2	Confident	1 Å²	1	26.3 Å²	26.3	1%	0.006	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	131.8	177	-163.9	0	0	0	0	108.6	G429 V430 Y432 L520 I551 F554	V427-G429 PolarHBondContact O-N 3.24Å; V427-V430 PolarHBondContact N-O 3.25Å; V427-V430 PolarHBondContact O-N 2.88Å; V427-Y432 HydrophobicContact CB-CE2 4.2Å; V427-Y432 HydrophobicContact CG2-CD2 4.46Å; V427-Y432 HydrophobicContact CG2-CE2 4.35Å; V427-L520 HydrophobicContact CG2-CD2 4.42Å; V427-I551 HydrophobicContact CB-CG1 4.43Å; V427-I551 HydrophobicContact CG1-CB 4.29Å; V427-I551 HydrophobicContact CG1-CG1 3.71Å; V427-F554 HydrophobicContact CG1-CB 3.83Å; V427-F554 HydrophobicContact CG1-CD1 4.16Å; V427-F554 HydrophobicContact CG1-CD2 4.41Å; V427-F554 HydrophobicContact CG1-CG 3.9Å; V427-F554 HydrophobicContact CG2-CD1 3.62Å; V427-F554 HydrophobicContact CG2-CD2 4.4Å; V427-F554 HydrophobicContact CG2-CE1 3.55Å; V427-F554 HydrophobicContact CG2-CE2 4.35Å; V427-F554 HydrophobicContact CG2-CG 4.04Å; V427-F554 HydrophobicContact CG2-CZ 3.94Å
428	A	87.4	Confident	83.8	Confident	23 Å²	23	25.8 Å²	25.8	19%	0.19	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	29.2	-174.2	0	0	0	0	0	114.6	D550 I772 L838	A428-D550 HydrophobicContact CB-CB 4.02Å; A428-I772 WeakPolarHBondContact O-CG1 3.5Å; A428-L838 PolarHBondContact N-O 3.3Å
429	G	85.1	Confident	83.5	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.01	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	20.9	-179.3	0	0	0	0	0	115.2	V427 R775	V427-G429 PolarHBondContact O-N 3.24Å; G429-R775 WeakPolarHBondContact O-CD 3.46Å; G429-R775 PolarHBondContact O-NE 3.06Å; G429-R775 VanDerWaalsContact O-NE 3.13Å; G429-R775 PolarHBondContact O-NH1 2.84Å
430	V	90.4	Very high	83.2	Confident	51 Å²	51	33.5 Å²	33.5	31%	0.309	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	138.7	168.5	-178.9	0	0	0	0	108.7	T426 V427 Y432	T426-V430 CarbonylContact C-O 3.53Å; T426-V430 WeakPolarHBondContact CA-O 3.37Å; V427-V430 PolarHBondContact N-O 3.25Å; V427-V430 PolarHBondContact O-N 2.88Å; V430-Y432 HydrophobicContact CB-CE2 3.98Å; V430-Y432 HydrophobicContact CG1-CE1 4.08Å; V430-Y432 HydrophobicContact CG1-CE2 3.94Å
431	E	92.8	Very high	82.3	Confident	62 Å²	62	33.8 Å²	33.8	29%	0.29	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	144.4	175.1	166.1	174.3	-138.3	0	0	111.3	R424 T426 Y779 Y783	R424-E431 IonicContact NH1-OE1 3.25Å; T426-E431 HydrophobicContact CG2-CB 4.27Å; E431-Y779 HydrophobicContact CB-CD1 4Å; E431-Y779 HydrophobicContact CB-CD2 4.41Å; E431-Y779 HydrophobicContact CB-CE1 3.67Å; E431-Y779 HydrophobicContact CB-CE2 4.1Å; E431-Y779 HydrophobicContact CB-CG 4.37Å; E431-Y779 HydrophobicContact CG-CD1 4.45Å; E431-Y779 HydrophobicContact CG-CE1 4.32Å; E431-Y779 WeakPolarHBondContact OE2-CD1 3.47Å; E431-Y779 WeakPolarHBondContact OE2-CE1 3.35Å; E431-Y783 WeakPolarHBondContact OE1-CE1 3.44Å
432	Y	91.2	Very high	81.2	Confident	9 Å²	9	35 Å²	35	4%	0.035	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	114.7	173.1	-53.8	-87.6	0	0	0	109.6	C425 V427 V430 H434 D517 Q519 L520 R523	C425-Y432 PolarHBondContact N-O 3.18Å; C425-Y432 PolarHBondContact O-N 3Å; V427-Y432 HydrophobicContact CB-CE2 4.2Å; V427-Y432 HydrophobicContact CG2-CD2 4.46Å; V427-Y432 HydrophobicContact CG2-CE2 4.35Å; V430-Y432 HydrophobicContact CB-CE2 3.98Å; V430-Y432 HydrophobicContact CG1-CE1 4.08Å; V430-Y432 HydrophobicContact CG1-CE2 3.94Å; Y432-H434 PolarHBondContact O-CE1 3Å; Y432-H434 PolarHBondContact O-ND1 3.07Å; Y432-H434 PolarHBondContact O-NE2 3.3Å; Y432-D517 WeakPolarHBondContact CD1-OD1 3.43Å; Y432-Q519 HydrophobicContact CE1-CB 4.38Å; Y432-L520 HydrophobicContact CD1-CB 3.7Å; Y432-L520 HydrophobicContact CD2-CB 4.43Å; Y432-L520 HydrophobicContact CD2-CD1 4.31Å; Y432-L520 HydrophobicContact CD2-CD2 3.93Å; Y432-L520 HydrophobicContact CD2-CG 4.47Å; Y432-L520 HydrophobicContact CE1-CB 3.93Å; Y432-L520 HydrophobicContact CE1-CD1 4.37Å; Y432-L520 HydrophobicContact CE2-CD1 3.96Å; Y432-L520 HydrophobicContact CE2-CD2 4.4Å; Y432-L520 HydrophobicContact CG-CB 3.96Å; Y432-L520 HydrophobicContact CG-CD2 4.05Å; Y432-L520 HydrophobicContact CG-CG 4.46Å; Y432-R523 WeakPolarHBondContact OH-CD 3.46Å; Y432-R523 PolarHBondContact OH-NE 2.96Å
433	S	84.2	Confident	79.9	Confident	43 Å²	43	40.4 Å²	40.4	30%	0.301	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	123.1	-176.4	57.8	0	0	0	0	111.8	D435	S433-D435 VanDerWaalsContact CB-OD2 3.27Å; S433-D435 WeakPolarHBondContact CB-OD2 3.07Å; S433-D435 PolarHBondContact O-N 2.88Å; S433-D435 PolarHBondContact OG-OD2 3.42Å
434	H	86.4	Confident	78.6	Confident	4 Å²	4	42.1 Å²	42.1	2%	0.019	22%	0.216	C	C	.	.			trans	-90.4	57.1	-177.8	-60.5	44.3	0	0	0	109.6	F422 R423 C425 Y432 A436 N437 A438 T515 Y689	F422-H434 AromaticContact CD1-CD2 3.81Å; F422-H434 AromaticContact CE1-CD2 3.99Å; F422-H434 AromaticContact CE1-NE2 3.94Å; R423-H434 WeakPolarHBondContact O-CA 3.41Å; R423-H434 VanDerWaalsContact O-CB 3.27Å; R423-H434 WeakPolarHBondContact O-CB 3.39Å; R423-H434 PolarHBondContact O-CE1 2.89Å; R423-H434 PolarHBondContact O-N 3.41Å; C425-H434 PolarHBondContact SG-NE2 3.25Å; Y432-H434 PolarHBondContact O-CE1 3Å; Y432-H434 PolarHBondContact O-ND1 3.07Å; Y432-H434 PolarHBondContact O-NE2 3.3Å; H434-A436 PolarHBondContact O-N 2.69Å; H434-A436 VanDerWaalsContact O-N 3.09Å; H434-N437 HydrophobicContact CB-CB 4.43Å; H434-N437 WeakPolarHBondContact O-CA 3.34Å; H434-N437 WeakPolarHBondContact O-CB 3.48Å; H434-N437 PolarHBondContact O-N 2.86Å; H434-A438 PolarHBondContact O-N 2.68Å; H434-T515 PolarHBondContact CD2-O 3.24Å; H434-Y689 PolarHBondContact NE2-OH 2.8Å
435	D	72.6	Confident	76.8	Confident	72 Å²	72	43.1 Å²	43.1	39%	0.385	22%	0.223	S	C	.	.	H	α-helix	trans	-66.1	-16.5	-170.5	-60.6	-45.8	0	0	0	113.2	S433 A438 R439	S433-D435 VanDerWaalsContact CB-OD2 3.27Å; S433-D435 WeakPolarHBondContact CB-OD2 3.07Å; S433-D435 PolarHBondContact O-N 2.88Å; S433-D435 PolarHBondContact OG-OD2 3.42Å; D435-A438 PolarHBondContact O-N 2.68Å; D435-R439 WeakPolarHBondContact O-CG 3.36Å; D435-R439 PolarHBondContact O-N 2.7Å
436	A	72.8	Confident	74.8	Confident	52 Å²	52	49 Å²	49	43%	0.43	25%	0.25	S	S	.	.	H	α-helix	trans	-65.8	-38	167.5	0	0	0	0	0	112.4	H434 R440 T515	H434-A436 PolarHBondContact O-N 2.69Å; H434-A436 VanDerWaalsContact O-N 3.09Å; A436-R440 WeakPolarHBondContact O-CB 3.48Å; A436-R440 PolarHBondContact O-N 3.11Å; A436-R440 VanDerWaalsContact O-N 3.1Å; A436-R440 PolarHBondContact O-NH1 2.7Å; A436-T515 HydrophobicContact CB-CG2 4.06Å
437	N	73.9	Confident	72.8	Confident	3 Å²	3	52.1 Å²	52.1	2%	0.016	27%	0.266	C	S	.	.	H	α-helix	trans	-69.5	-42	174.3	-59.2	-15	0	0	0	110	F422 H434 R439 R440 I441 T515	F422-N437 PolarHBondContact O-ND2 3.35Å; H434-N437 HydrophobicContact CB-CB 4.43Å; H434-N437 WeakPolarHBondContact O-CA 3.34Å; H434-N437 WeakPolarHBondContact O-CB 3.48Å; H434-N437 PolarHBondContact O-N 2.86Å; N437-R439 PolarHBondContact O-N 2.78Å; N437-R440 PolarHBondContact O-N 2.8Å; N437-R440 PolarHBondContact OD1-NH1 2.69Å; N437-I441 WeakPolarHBondContact O-CG1 3.36Å; N437-I441 PolarHBondContact O-N 3.37Å; N437-T515 VanDerWaalsContact OD1-CB 3.23Å; N437-T515 WeakPolarHBondContact OD1-CB 3.4Å; N437-T515 PolarHBondContact OD1-N 2.84Å; N437-T515 PolarHBondContact OD1-OG1 3.2Å
438	A	67.4	Low	70.5	Confident	19 Å²	19	55.3 Å²	55.3	16%	0.157	28%	0.283	C	S	.	.	H	α-helix	trans	-56.9	-48.9	176.4	0	0	0	0	0	112.8	H434 D435 I441 A442	H434-A438 PolarHBondContact O-N 2.68Å; D435-A438 PolarHBondContact O-N 2.68Å; A438-I441 PolarHBondContact O-N 2.99Å; A438-A442 PolarHBondContact O-N 3.45Å
439	R	67.1	Low	68.3	Low	192 Å²	192	57.4 Å²	57.4	73%	0.725	30%	0.297	S	S	*	.	H	α-helix	trans	-68.9	-31.9	178.2	-67.4	175.3	-165	-175.1	5.9	112.9	D435 N437 M443	D435-R439 WeakPolarHBondContact O-CG 3.36Å; D435-R439 PolarHBondContact O-N 2.7Å; N437-R439 PolarHBondContact O-N 2.78Å; R439-M443 WeakPolarHBondContact O-CB 2.89Å; R439-M443 PolarHBondContact O-N 2.82Å
440	R	68.4	Low	66.3	Low	50 Å²	50	63.8 Å²	63.8	19%	0.189	33%	0.326	C	S	.	.	H	α-helix	trans	-64.3	-41	174.7	-176	-164.7	-84.8	94.8	-13.8	111.3	A436 N437 M443 Y444 D513 T515	A436-R440 WeakPolarHBondContact O-CB 3.48Å; A436-R440 PolarHBondContact O-N 3.11Å; A436-R440 VanDerWaalsContact O-N 3.1Å; A436-R440 PolarHBondContact O-NH1 2.7Å; N437-R440 PolarHBondContact O-N 2.8Å; N437-R440 PolarHBondContact OD1-NH1 2.69Å; R440-M443 PolarHBondContact O-N 3.02Å; R440-Y444 HydrophobicContact CG-CD2 4.06Å; R440-Y444 HydrophobicContact CG-CE2 3.74Å; R440-Y444 WeakPolarHBondContact O-CD2 3.42Å; R440-Y444 PolarHBondContact O-N 2.89Å; R440-D513 IonicContact CZ-OD1 3.14Å; R440-D513 IonicContact CZ-OD2 2.65Å; R440-D513 IonicContact NE-OD2 2.67Å; R440-D513 PolarHBondContact NE-OD2 3.4Å; R440-D513 IonicContact NH2-OD1 3.28Å; R440-D513 PolarHBondContact NH2-OD1 2.85Å; R440-D513 IonicContact NH2-OD2 2.64Å; R440-D513 PolarHBondContact NH2-OD2 3.13Å; R440-T515 PolarHBondContact NH1-OG1 2.8Å; R440-T515 PolarHBondContact NH2-OG1 3.43Å
441	I	61.5	Low	64.1	Low	6 Å²	6	65.9 Å²	65.9	3%	0.031	33%	0.333	C	S	.	.	H	α-helix	trans	-64.3	-48.6	177.3	-66.2	162.2	0	0	0	110.6	V421 N437 A438 M443 Y444 Q445 M510 E844	V421-I441 HydrophobicContact CB-CD1 3.89Å; V421-I441 HydrophobicContact CG1-CD1 3.7Å; V421-I441 HydrophobicContact CG2-CD1 4.06Å; N437-I441 WeakPolarHBondContact O-CG1 3.36Å; N437-I441 PolarHBondContact O-N 3.37Å; A438-I441 PolarHBondContact O-N 2.99Å; I441-M443 VanDerWaalsContact C-N 3.3Å; I441-M443 PolarHBondContact O-N 3.39Å; I441-Y444 PolarHBondContact O-N 2.97Å; I441-Q445 PolarHBondContact O-N 3.15Å; I441-Q445 VanDerWaalsContact O-N 3.11Å; I441-M510 HydrophobicContact CB-CE 4.45Å; I441-M510 HydrophobicContact CG1-CE 3.88Å; I441-E844 VanDerWaalsContact CD1-OE2 3.26Å; I441-E844 WeakPolarHBondContact CD1-OE2 3.41Å
442	A	60.1	Low	61.8	Low	38 Å²	38	70.1 Å²	70.1	31%	0.314	35%	0.352	S	S	.	.	H	α-helix	trans	-58.2	-41.9	175	0	0	0	0	0	112.1	A438 Y444 Q445 E446	A438-A442 PolarHBondContact O-N 3.45Å; A442-Y444 VanDerWaalsContact C-N 3.34Å; A442-Y444 PolarHBondContact O-N 3.16Å; A442-Q445 PolarHBondContact O-N 3.42Å; A442-E446 WeakPolarHBondContact O-CG 3.5Å; A442-E446 PolarHBondContact O-N 3.16Å
443	M	60.1	Low	59.3	Low	116 Å²	116	76.4 Å²	76.4	57%	0.571	38%	0.382	S	S	*	.	H	α-helix	trans	-66.5	-31.6	178.3	-169.7	176.4	-173.4	0	0	113.2	R439 R440 I441 I447	R439-M443 WeakPolarHBondContact O-CB 2.89Å; R439-M443 PolarHBondContact O-N 2.82Å; R440-M443 PolarHBondContact O-N 3.02Å; I441-M443 VanDerWaalsContact C-N 3.3Å; I441-M443 PolarHBondContact O-N 3.39Å; M443-I447 HydrophobicContact CE-CD1 4.31Å; M443-I447 HydrophobicContact CG-CD1 4.05Å; M443-I447 WeakPolarHBondContact O-CB 3.49Å; M443-I447 WeakPolarHBondContact O-CD1 3.37Å; M443-I447 WeakPolarHBondContact O-CG1 3.48Å; M443-I447 PolarHBondContact O-N 3.45Å
444	Y	57.8	Low	56.9	Low	88 Å²	88	83.4 Å²	83.4	35%	0.345	41%	0.407	S	S	.	.	H	α-helix	trans	-66.8	-47.3	170.1	-81.3	-66.3	0	0	0	110.8	R440 I441 A442 E446 I447 D448 M510	R440-Y444 HydrophobicContact CG-CD2 4.06Å; R440-Y444 HydrophobicContact CG-CE2 3.74Å; R440-Y444 WeakPolarHBondContact O-CD2 3.42Å; R440-Y444 PolarHBondContact O-N 2.89Å; I441-Y444 PolarHBondContact O-N 2.97Å; A442-Y444 VanDerWaalsContact C-N 3.34Å; A442-Y444 PolarHBondContact O-N 3.16Å; Y444-E446 VanDerWaalsContact C-N 3.28Å; Y444-E446 PolarHBondContact O-N 3.4Å; Y444-I447 PolarHBondContact O-N 2.88Å; Y444-I447 VanDerWaalsContact O-N 3.07Å; Y444-D448 WeakPolarHBondContact O-CB 3.38Å; Y444-D448 PolarHBondContact O-N 3.45Å; Y444-D448 VanDerWaalsContact O-OD2 3.12Å; Y444-M510 HydrophobicContact CD2-CE 3.67Å; Y444-M510 HydrophobicContact CD2-CG 4.16Å; Y444-M510 HydrophobicContact CD2-SD 3.81Å; Y444-M510 HydrophobicContact CE2-CE 4.3Å; Y444-M510 HydrophobicContact CE2-CG 3.89Å; Y444-M510 HydrophobicContact CE2-SD 4.15Å; Y444-M510 HydrophobicContact CG-CE 4.33Å; Y444-M510 HydrophobicContact CG-SD 4.21Å
445	Q	53.3	Low	54.5	Low	76 Å²	76	90.6 Å²	90.6	36%	0.355	44%	0.443	S	S	.	.	H	α-helix	trans	-59.1	-37.4	176.7	-66.3	174.9	-45.4	0	0	112.6	I441 A442 S449	I441-Q445 PolarHBondContact O-N 3.15Å; I441-Q445 VanDerWaalsContact O-N 3.11Å; A442-Q445 PolarHBondContact O-N 3.42Å; Q445-S449 WeakPolarHBondContact O-CB 3.02Å; Q445-S449 PolarHBondContact O-N 2.92Å; Q445-S449 VanDerWaalsContact O-N 3.11Å; Q445-S449 PolarHBondContact O-OG 3.37Å
446	E	51.8	Low	52.6	Low	123 Å²	123	91.3 Å²	91.3	58%	0.575	45%	0.454	S	S	*	.	H	α-helix	trans	-66.6	-42.9	172.7	-72.6	170.6	170.6	0	0	112.2	A442 Y444 S449 E450	A442-E446 WeakPolarHBondContact O-CG 3.5Å; A442-E446 PolarHBondContact O-N 3.16Å; Y444-E446 VanDerWaalsContact C-N 3.28Å; Y444-E446 PolarHBondContact O-N 3.4Å; E446-S449 PolarHBondContact O-N 3.35Å; E446-E450 WeakPolarHBondContact O-CG 3.48Å; E446-E450 PolarHBondContact O-N 3.19Å
447	I	50.9	Low	50.8	Low	65 Å²	65	96.5 Å²	96.5	33%	0.333	47%	0.469	S	S	.	.	H	α-helix	trans	-66.7	-44.1	177.5	-71.9	163.8	0	0	0	111.8	M443 Y444 S449 E450 E451	M443-I447 HydrophobicContact CE-CD1 4.31Å; M443-I447 HydrophobicContact CG-CD1 4.05Å; M443-I447 WeakPolarHBondContact O-CB 3.49Å; M443-I447 WeakPolarHBondContact O-CD1 3.37Å; M443-I447 WeakPolarHBondContact O-CG1 3.48Å; M443-I447 PolarHBondContact O-N 3.45Å; Y444-I447 PolarHBondContact O-N 2.88Å; Y444-I447 VanDerWaalsContact O-N 3.07Å; I447-S449 VanDerWaalsContact C-N 3.26Å; I447-S449 PolarHBondContact O-N 3.06Å; I447-E450 PolarHBondContact O-N 3.45Å; I447-E451 PolarHBondContact O-N 2.71Å
448	D	44.9	Very low	49	Very low	68 Å²	68	100.5 Å²	100.5	36%	0.364	51%	0.51	S	S	.	.	H	α-helix	trans	-61.7	-39.7	178.7	-59.7	-28.8	0	0	0	109.3	Y444 E452 R846	Y444-D448 WeakPolarHBondContact O-CB 3.38Å; Y444-D448 PolarHBondContact O-N 3.45Å; Y444-D448 VanDerWaalsContact O-OD2 3.12Å; D448-E452 PolarHBondContact O-N 2.71Å; D448-R846 IonicContact OD2-NH2 3.1Å; D448-R846 PolarHBondContact OD2-NH2 3.24Å
449	S	42.4	Very low	47.3	Very low	68 Å²	68	102 Å²	102	48%	0.476	53%	0.528	S	S	.	.	H	α-helix	trans	-67.3	-41.5	173.1	-55.3	0	0	0	0	113.6	Q445 E446 I447 E451 E452 E453	Q445-S449 WeakPolarHBondContact O-CB 3.02Å; Q445-S449 PolarHBondContact O-N 2.92Å; Q445-S449 VanDerWaalsContact O-N 3.11Å; Q445-S449 PolarHBondContact O-OG 3.37Å; E446-S449 PolarHBondContact O-N 3.35Å; I447-S449 VanDerWaalsContact C-N 3.26Å; I447-S449 PolarHBondContact O-N 3.06Å; S449-E451 VanDerWaalsContact C-N 3.35Å; S449-E452 PolarHBondContact O-N 2.74Å; S449-E453 PolarHBondContact O-N 3.32Å
450	E	43.3	Very low	45.5	Very low	134 Å²	134	99.4 Å²	99.4	63%	0.626	53%	0.533	S	S	*	.	H	α-helix	trans	-67.5	-32.1	178.1	-79.9	-171.5	177.9	0	0	112.3	E446 I447 F454	E446-E450 WeakPolarHBondContact O-CG 3.48Å; E446-E450 PolarHBondContact O-N 3.19Å; I447-E450 PolarHBondContact O-N 3.45Å; E450-F454 WeakPolarHBondContact O-CB 3.21Å; E450-F454 PolarHBondContact O-N 3.37Å
451	E	43.6	Very low	44	Very low	96 Å²	96	105.5 Å²	105.5	45%	0.449	57%	0.569	S	S	.	*	H	α-helix	trans	-69.8	-33.1	172.2	-68.9	-162	-177.1	0	0	111.8	I447 S449 F454 M455 R491	I447-E451 PolarHBondContact O-N 2.71Å; S449-E451 VanDerWaalsContact C-N 3.35Å; E451-F454 PolarHBondContact O-N 2.72Å; E451-M455 WeakPolarHBondContact O-CB 3.34Å; E451-M455 WeakPolarHBondContact O-CG 3.15Å; E451-M455 PolarHBondContact O-N 3.41Å; E451-R491 IonicContact OE1-CZ 2.76Å; E451-R491 IonicContact OE1-NH2 2.99Å; E451-R491 PolarHBondContact OE1-NH2 3.35Å; E451-R491 IonicContact OE2-NH2 2.77Å
452	E	44.1	Very low	42.5	Very low	150 Å²	150	110.9 Å²	110.9	70%	0.701	60%	0.604	S	S	*	*	H	α-helix	trans	-68.6	-42.7	171.1	-73.7	-165.1	165	0	0	113.6	D448 S449 F454 M455 S456	D448-E452 PolarHBondContact O-N 2.71Å; S449-E452 PolarHBondContact O-N 2.74Å; E452-F454 VanDerWaalsContact C-N 3.28Å; E452-F454 PolarHBondContact O-N 3.1Å; E452-M455 PolarHBondContact O-N 2.96Å; E452-S456 WeakPolarHBondContact O-CB 3.2Å; E452-S456 PolarHBondContact O-N 2.94Å; E452-S456 PolarHBondContact O-OG 3.2Å
453	E	39.4	Very low	40.9	Very low	142 Å²	142	119.7 Å²	119.7	66%	0.664	63%	0.629	S	S	*	*	H	α-helix	trans	-64	-33.8	174.4	-74.1	-159.4	157.4	0	0	111.8	S449 S456	S449-E453 PolarHBondContact O-N 3.32Å; E453-S456 WeakPolarHBondContact CA-OG 3.38Å; E453-S456 PolarHBondContact O-OG 3.24Å
454	F	34.3	Very low	39.6	Very low	189 Å²	189	125 Å²	125	83%	0.829	64%	0.643	S	S	*	*	H	α-helix	trans	-71.4	-32.3	172.6	-113	-86.4	0	0	0	113.6	E450 E451 E452	E450-F454 WeakPolarHBondContact O-CB 3.21Å; E450-F454 PolarHBondContact O-N 3.37Å; E451-F454 PolarHBondContact O-N 2.72Å; E452-F454 VanDerWaalsContact C-N 3.28Å; E452-F454 PolarHBondContact O-N 3.1Å
455	M	35.7	Very low	38	Very low	156 Å²	156	127.6 Å²	127.6	77%	0.768	66%	0.663	S	S	*	*	H	α-helix	trans	-74.5	-32.2	178.1	-75.5	-99.4	46.6	0	0	112.7	E451 E452	E451-M455 WeakPolarHBondContact O-CB 3.34Å; E451-M455 WeakPolarHBondContact O-CG 3.15Å; E451-M455 PolarHBondContact O-N 3.41Å; E452-M455 PolarHBondContact O-N 2.96Å
456	S	32.5	Very low	36.8	Very low	87 Å²	87	128.7 Å²	128.7	61%	0.608	68%	0.679	S	S	*	*	H	α-helix	trans	-82.5	-18.7	-175.4	50.8	0	0	0	0	114.8	E452 E453 G458	E452-S456 WeakPolarHBondContact O-CB 3.2Å; E452-S456 PolarHBondContact O-N 2.94Å; E452-S456 PolarHBondContact O-OG 3.2Å; E453-S456 WeakPolarHBondContact CA-OG 3.38Å; E453-S456 PolarHBondContact O-OG 3.24Å; S456-G458 PolarHBondContact O-N 3.23Å
457	H	34.9	Very low	35.7	Very low	161 Å²	161	129 Å²	129	75%	0.745	69%	0.688	S	S	*	*			trans	-94.4	47	-179.4	-85.5	-50	0	0	0	115.9	G459	H457-G459 PolarHBondContact O-N 3.42Å
458	G	35.2	Very low	34.5	Very low	86 Å²	86	132.4 Å²	132.4	89%	0.887	71%	0.713	S	S	*	*			trans	-71	51.1	168.6	0	0	0	0	0	115.1	S456	S456-G458 PolarHBondContact O-N 3.23Å
459	G	31.3	Very low	33.6	Very low	51 Å²	51	133.3 Å²	133.3	53%	0.526	72%	0.724	S	S	.	*	S	Bend	trans	-162.9	107.2	-175	0	0	0	0	0	117.2	H457	H457-G459 PolarHBondContact O-N 3.42Å
460	T	30.7	Very low	32.9	Very low	138 Å²	138	138.9 Å²	138.9	85%	0.847	74%	0.742	S	S	*	*			trans	48.9	109.2	158.3	48.7	0	0	0	0	119.6	P462	T460-P462 WeakPolarHBondContact O-CD 3.36Å
461	L	35.6	Very low	32.1	Very low	177 Å²	177	141.7 Å²	141.7	93%	0.927	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-57.1	128.2	165.5	-78.3	159	0	0	0	113.8
462	P	30.2	Very low	31.3	Very low	120 Å²	120	143.2 Å²	143.2	78%	0.779	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-94.3	142.9	155.7	1.3	19.6	0	0	0	111.3	T460	T460-P462 WeakPolarHBondContact O-CD 3.36Å
463	R	27.3	Very low	30.3	Very low	222 Å²	222	139.4 Å²	139.4	84%	0.838	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-75.3	143.2	-177.1	160.1	178.1	163.8	-179.5	-2.9	112.2
464	R	33	Very low	29.6	Very low	229 Å²	229	144.6 Å²	144.6	86%	0.864	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-49.9	143.4	166.8	-86.1	178.7	164	175.1	-5	111.4
465	D	24.6	Very low	29.1	Very low	142 Å²	142	141.7 Å²	141.7	76%	0.759	79%	0.789	S	S	*	*			trans	-159.8	171.1	132.4	-94.2	-40.6	0	0	0	112.4
466	S	27.3	Very low	28.8	Very low	98 Å²	98	140.6 Å²	140.6	69%	0.685	79%	0.79	S	S	*	*			trans	-50.5	137.9	-158.2	55	0	0	0	0	124.1
467	V	28.8	Very low	28.5	Very low	129 Å²	129	143.6 Å²	143.6	78%	0.782	80%	0.799	S	S	*	*				53.8	116.1	124.4	-173.1	0	0	0	0	121.6
468	T	24.9	Very low	28.3	Very low	137 Å²	137	146.7 Å²	146.7	84%	0.84	80%	0.804	S	S	*	*				-171.9	167.1	120.2	16.9	0	0	0	0	113.8
469	S	26.7	Very low	27.9	Very low	87 Å²	87	148.3 Å²	148.3	61%	0.608	80%	0.802	S	S	*	*			trans	-62.1	156.2	-175.8	43.3	0	0	0	0	115.2
470	H	27.7	Very low	27.7	Very low	185 Å²	185	153.8 Å²	153.8	86%	0.856	81%	0.814	S	S	*	*				-154.4	171.5	59.2	-88.4	-87.2	0	0	0	115.7
471	Q	26.7	Very low	27.6	Very low	193 Å²	193	152 Å²	152	90%	0.902	81%	0.806	S	S	*	*			trans	-103.6	143.3	-174.7	-61.3	171.5	-30.9	0	0	113.8
472	S	26.1	Very low	27.2	Very low	128 Å²	128	150.4 Å²	150.4	90%	0.895	80%	0.804	S	S	*	*				-176.7	140.3	130	-169	0	0	0	0	109.4
473	G	23.9	Very low	27.4	Very low	70 Å²	70	154.5 Å²	154.5	72%	0.722	81%	0.81	S	S	*	*			cis	153.5	67.3	-1.3	0	0	0	0	0	113.2
474	R	24.5	Very low	27.3	Very low	252 Å²	252	149.3 Å²	149.3	95%	0.951	81%	0.807	S	S	*	*			trans	-133.9	116.7	171.8	-129	176.5	-173.7	-177.4	1.6	111.8
475	V	24.1	Very low	27	Very low	127 Å²	127	148 Å²	148	77%	0.77	81%	0.81	S	S	*	*			trans	-87	127.5	-174.3	178.2	0	0	0	0	110.5	L477	V475-L477 HydrophobicContact CG1-CD1 4.39Å
476	V	29	Very low	27.3	Very low	133 Å²	133	151.5 Å²	151.5	81%	0.806	81%	0.813	S	S	*	*			trans	-101.5	116	164.7	178.9	0	0	0	0	108	R478	V476-R478 PolarHBondContact O-N 3.17Å
477	L	26.8	Very low	27.5	Very low	151 Å²	151	157.9 Å²	157.9	79%	0.791	82%	0.822	S	S	*	*			trans	-69.1	127.9	173	-82.3	89.2	0	0	0	110.2	V475 S479	V475-L477 HydrophobicContact CG1-CD1 4.39Å; L477-S479 PolarHBondContact O-N 3.35Å
478	R	29.1	Very low	27.5	Very low	225 Å²	225	158.2 Å²	158.2	85%	0.849	83%	0.825	S	S	*	*			trans	-81	104.3	167.9	-80.6	-178.5	168.7	166.3	-3	110.2	V476	V476-R478 PolarHBondContact O-N 3.17Å
479	S	27.1	Very low	27.9	Very low	120 Å²	120	154.3 Å²	154.3	84%	0.839	81%	0.812	S	S	*	*			trans	-78.2	124.9	161.8	-60	0	0	0	0	109.5	L477	L477-S479 PolarHBondContact O-N 3.35Å
480	H	27.7	Very low	28.3	Very low	167 Å²	167	153.4 Å²	153.4	77%	0.773	81%	0.805	S	S	*	*			trans	-87.9	144.1	-178.7	-86.7	-109.4	0	0	0	112.9
481	S	27.6	Very low	28.9	Very low	99 Å²	99	153.2 Å²	153.2	69%	0.692	80%	0.797	S	S	*	*			trans	62.7	107	150.9	-178.6	0	0	0	0	119.7
482	T	28.5	Very low	29.1	Very low	144 Å²	144	146.8 Å²	146.8	88%	0.883	78%	0.777	S	S	*	*				-123.7	150.3	108.5	49.3	0	0	0	0	109.4
483	K	33.6	Very low	29.4	Very low	207 Å²	207	146.3 Å²	146.3	90%	0.9	76%	0.76	S	S	*	*			trans	-98.1	130.9	176.1	-74.6	-179.8	176.6	177.8	0	110
484	S	25.6	Very low	30	Very low	112 Å²	112	146 Å²	146	78%	0.783	75%	0.751	S	S	*	*			trans	-132.7	146.5	156.3	59.1	0	0	0	0	109.2	R486	S484-R486 PolarHBondContact O-N 3.01Å
485	H	27.6	Very low	30.6	Very low	201 Å²	201	140.6 Å²	140.6	93%	0.931	73%	0.734	S	S	*	*			trans	-73.1	109.8	-175.3	-84.9	-82.9	0	0	0	111.3
486	R	30.6	Very low	31	Very low	216 Å²	216	143.5 Å²	143.5	82%	0.815	73%	0.732	S	S	*	*			trans	-83.2	118.5	158.1	-77	-175.8	168.6	-179.2	-5.9	109.3	S484 T488	S484-R486 PolarHBondContact O-N 3.01Å; R486-T488 PolarHBondContact O-N 3.31Å
487	R	30.8	Very low	31.2	Very low	233 Å²	233	139.3 Å²	139.3	88%	0.879	71%	0.711	S	S	*	*			trans	-64.5	114.9	151.3	-77.8	-176	174.5	-174.8	-1.6	106.2	G489	R487-G489 PolarHBondContact O-N 2.98Å
488	T	29.6	Very low	31.7	Very low	136 Å²	136	134.3 Å²	134.3	83%	0.834	69%	0.688	S	S	*	*			trans	-76.7	89.7	172.3	45.9	0	0	0	0	108.9	R486	R486-T488 PolarHBondContact O-N 3.31Å
489	G	32.2	Very low	32	Very low	55 Å²	55	128.6 Å²	128.6	57%	0.567	67%	0.674	S	S	*	*			trans	-57.2	144.7	171	0	0	0	0	0	111.1	R487 E493	R487-G489 PolarHBondContact O-N 2.98Å; G489-E493 WeakPolarHBondContact CA-OE2 3.13Å
490	S	36.2	Very low	32.4	Very low	68 Å²	68	128.1 Å²	128.1	48%	0.476	66%	0.661	S	S	.	*			trans	-77.9	151.7	-170.6	179.3	0	0	0	0	112.5	A492 E493 A494	S490-A492 PolarHBondContact O-N 3.5Å; S490-A492 VanDerWaalsContact O-N 3.11Å; S490-A492 PolarHBondContact OG-N 3.38Å; S490-E493 PolarHBondContact N-OE2 3.27Å; S490-E493 WeakPolarHBondContact O-CA 3.47Å; S490-E493 WeakPolarHBondContact O-CB 3.3Å; S490-E493 PolarHBondContact O-N 2.77Å; S490-A494 PolarHBondContact O-N 3.18Å; S490-A494 VanDerWaalsContact O-N 3.17Å
491	R	38.7	Very low	33	Very low	181 Å²	181	121.3 Å²	121.3	68%	0.683	63%	0.632	S	S	*	*	H	α-helix	trans	-56.2	-27.1	169.4	-167.1	174.9	-177.5	-167.8	-1.2	111.8	E451 K495	E451-R491 IonicContact OE1-CZ 2.76Å; E451-R491 IonicContact OE1-NH2 2.99Å; E451-R491 PolarHBondContact OE1-NH2 3.35Å; E451-R491 IonicContact OE2-NH2 2.77Å; R491-K495 PolarHBondContact O-N 3.13Å
492	A	31.5	Very low	33.6	Very low	57 Å²	57	120.8 Å²	120.8	47%	0.471	62%	0.617	S	S	.	*	H	α-helix	trans	-73.4	-26.5	172.8	0	0	0	0	0	113.7	S490 R496	S490-A492 PolarHBondContact O-N 3.5Å; S490-A492 VanDerWaalsContact O-N 3.11Å; S490-A492 PolarHBondContact OG-N 3.38Å; A492-R496 WeakPolarHBondContact O-CB 3.49Å; A492-R496 WeakPolarHBondContact O-CG 3.21Å; A492-R496 PolarHBondContact O-N 3.49Å
493	E	32.7	Very low	34.1	Very low	118 Å²	118	118.9 Å²	118.9	55%	0.551	60%	0.598	S	S	*	*	H	α-helix	trans	-78.6	-42.4	-179.1	-160.4	161.4	-141.2	0	0	110.4	G489 S490 K495 R496 A497	G489-E493 WeakPolarHBondContact CA-OE2 3.13Å; S490-E493 PolarHBondContact N-OE2 3.27Å; S490-E493 WeakPolarHBondContact O-CA 3.47Å; S490-E493 WeakPolarHBondContact O-CB 3.3Å; S490-E493 PolarHBondContact O-N 2.77Å; E493-K495 PolarHBondContact O-N 3.07Å; E493-R496 PolarHBondContact O-N 2.95Å; E493-A497 WeakPolarHBondContact O-CB 3.3Å; E493-A497 PolarHBondContact O-N 3.29Å
494	A	36.9	Very low	34.4	Very low	64 Å²	64	110.5 Å²	110.5	53%	0.529	56%	0.564	S	S	.	*	H	α-helix	trans	-58.3	-45.2	167.9	0	0	0	0	0	112.1	S490 R496 A497 S498	S490-A494 PolarHBondContact O-N 3.18Å; S490-A494 VanDerWaalsContact O-N 3.17Å; A494-R496 PolarHBondContact O-N 2.85Å; A494-A497 PolarHBondContact O-N 3.26Å; A494-S498 WeakPolarHBondContact O-CB 3.07Å; A494-S498 PolarHBondContact O-N 3.02Å
495	K	36.2	Very low	35	Very low	138 Å²	138	106.9 Å²	106.9	60%	0.6	54%	0.541	S	S	*	.	H	α-helix	trans	-65	-35.1	174.1	-79.4	-158.9	170.7	-166.2	0	113	R491 E493 I499	R491-K495 PolarHBondContact O-N 3.13Å; E493-K495 PolarHBondContact O-N 3.07Å; K495-I499 WeakPolarHBondContact O-CD1 3.48Å; K495-I499 VanDerWaalsContact O-CG1 3.24Å; K495-I499 WeakPolarHBondContact O-CG1 3.4Å; K495-I499 PolarHBondContact O-N 3.09Å
496	R	32.8	Very low	35.9	Very low	189 Å²	189	98.8 Å²	98.8	71%	0.713	50%	0.504	S	S	*	.	H	α-helix	trans	-66.7	-42.2	172.4	-80.3	177	175	-176.1	-1.4	112.6	A492 E493 A494 I499 L500	A492-R496 WeakPolarHBondContact O-CB 3.49Å; A492-R496 WeakPolarHBondContact O-CG 3.21Å; A492-R496 PolarHBondContact O-N 3.49Å; E493-R496 PolarHBondContact O-N 2.95Å; A494-R496 PolarHBondContact O-N 2.85Å; R496-I499 PolarHBondContact O-N 3.44Å; R496-L500 PolarHBondContact O-N 3.27Å
497	A	33.6	Very low	36.6	Very low	44 Å²	44	89 Å²	89	36%	0.364	47%	0.469	S	S	.	.	H	α-helix	trans	-62.3	-45	175.5	0	0	0	0	0	111.4	E493 A494 I499 L500 S501	E493-A497 WeakPolarHBondContact O-CB 3.3Å; E493-A497 PolarHBondContact O-N 3.29Å; A494-A497 PolarHBondContact O-N 3.26Å; A497-I499 PolarHBondContact O-N 3.05Å; A497-L500 PolarHBondContact O-N 2.7Å; A497-S501 PolarHBondContact O-N 3.3Å; A497-S501 PolarHBondContact O-OG 2.95Å
498	S	36.2	Very low	37.6	Very low	46 Å²	46	78.9 Å²	78.9	32%	0.322	43%	0.433	S	S	.	.	H	α-helix	trans	-53.8	-50.8	172.5	168.8	0	0	0	0	112	A494 L500 S501 K502	A494-S498 WeakPolarHBondContact O-CB 3.07Å; A494-S498 PolarHBondContact O-N 3.02Å; S498-L500 VanDerWaalsContact C-N 3.31Å; S498-L500 PolarHBondContact O-N 2.99Å; S498-S501 WeakPolarHBondContact CA-OG 3.33Å; S498-S501 PolarHBondContact O-N 3.06Å; S498-S501 VanDerWaalsContact O-N 3.11Å; S498-S501 PolarHBondContact O-OG 3.11Å; S498-K502 WeakPolarHBondContact O-CG 3.29Å; S498-K502 PolarHBondContact O-N 2.99Å
499	I	36.7	Very low	38.9	Very low	106 Å²	106	75.3 Å²	75.3	54%	0.544	41%	0.412	S	S	.	.	H	α-helix	trans	-60.5	-39.3	178.1	-68.9	163.3	0	0	0	111.6	K495 R496 A497 K502	K495-I499 WeakPolarHBondContact O-CD1 3.48Å; K495-I499 VanDerWaalsContact O-CG1 3.24Å; K495-I499 WeakPolarHBondContact O-CG1 3.4Å; K495-I499 PolarHBondContact O-N 3.09Å; R496-I499 PolarHBondContact O-N 3.44Å; A497-I499 PolarHBondContact O-N 3.05Å; I499-K502 PolarHBondContact O-N 2.99Å
500	L	35.3	Very low	40.2	Very low	110 Å²	110	74.1 Å²	74.1	58%	0.576	39%	0.392	S	S	*	.	H	α-helix	trans	-70	-31	175.3	-88.7	155.5	0	0	0	113.4	R496 A497 S498	R496-L500 PolarHBondContact O-N 3.27Å; A497-L500 PolarHBondContact O-N 2.7Å; S498-L500 VanDerWaalsContact C-N 3.31Å; S498-L500 PolarHBondContact O-N 2.99Å
501	S	39.5	Very low	41.4	Very low	23 Å²	23	71.2 Å²	71.2	16%	0.161	37%	0.371	C	S	.	.	H	α-helix	trans	-76	-16.5	176	50.4	0	0	0	0	114.8	A497 S498 H503 T504 S507	A497-S501 PolarHBondContact O-N 3.3Å; A497-S501 PolarHBondContact O-OG 2.95Å; S498-S501 WeakPolarHBondContact CA-OG 3.33Å; S498-S501 PolarHBondContact O-N 3.06Å; S498-S501 VanDerWaalsContact O-N 3.11Å; S498-S501 PolarHBondContact O-OG 3.11Å; S501-H503 PolarHBondContact O-N 3.37Å; S501-T504 PolarHBondContact O-N 2.97Å; S501-T504 VanDerWaalsContact O-N 3.16Å; S501-T504 PolarHBondContact O-OG1 3.26Å; S501-S507 WeakPolarHBondContact CB-O 3.45Å
502	K	40.9	Very low	42.8	Very low	88 Å²	88	65.4 Å²	65.4	38%	0.383	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-5.8	178	-65.2	-158.7	175.2	-158.1	0	114.6	E384 S498 I499	E384-K502 PolarHBondContact O-NZ 3.48Å; S498-K502 WeakPolarHBondContact O-CG 3.29Å; S498-K502 PolarHBondContact O-N 2.99Å; I499-K502 PolarHBondContact O-N 2.99Å
503	H	38.7	Very low	44.5	Very low	104 Å²	104	66.3 Å²	66.3	48%	0.481	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	11.8	-177.5	-63.3	-79.5	0	0	0	114.7	S501 R573	S501-H503 PolarHBondContact O-N 3.37Å; H503-R573 VanDerWaalsContact O-CD 3.22Å; H503-R573 WeakPolarHBondContact O-CD 3.24Å
504	T	40.9	Very low	46.8	Very low	31 Å²	31	61.3 Å²	61.3	19%	0.19	33%	0.325	C	S	.	.	S	Bend	trans	-133.6	141.1	-177.4	32.5	0	0	0	0	111.5	S501 S507	S501-T504 PolarHBondContact O-N 2.97Å; S501-T504 VanDerWaalsContact O-N 3.16Å; S501-T504 PolarHBondContact O-OG1 3.26Å; T504-S507 WeakPolarHBondContact OG1-CB 3.24Å; T504-S507 PolarHBondContact OG1-OG 3.28Å
505	A	37.3	Very low	49	Very low	36 Å²	36	60.2 Å²	60.2	30%	0.298	31%	0.312	S	S	.	.	S	Bend	trans	-72.4	146.7	161.3	0	0	0	0	0	109.4	S507	A505-S507 PolarHBondContact O-N 2.97Å
506	F	46.8	Very low	51.3	Low	32 Å²	32	55.4 Å²	55.4	14%	0.14	30%	0.295	C	S	.	.	S	Bend	trans	49	59.5	171.1	-46	-65.8	0	0	0	114.5	T187 N188 E511 P677	T187-F506 WeakPolarHBondContact OG1-CE2 3.38Å; T187-F506 VanDerWaalsContact OG1-CZ 3.27Å; T187-F506 WeakPolarHBondContact OG1-CZ 3.41Å; N188-F506 WeakPolarHBondContact OD1-CE2 3.42Å; N188-F506 WeakPolarHBondContact OD1-CZ 3.04Å; F506-E511 WeakPolarHBondContact CA-OE2 3.45Å; F506-P677 HydrophobicContact CD1-CB 3.66Å; F506-P677 HydrophobicContact CD1-CG 4.23Å; F506-P677 HydrophobicContact CE1-CB 3.95Å; F506-P677 HydrophobicContact CE1-CG 4Å; F506-P677 HydrophobicContact CG-CB 4.13Å
507	S	44.3	Very low	53.9	Low	11 Å²	11	47.5 Å²	47.5	8%	0.077	27%	0.267	C	S	.	.			trans	-148.5	39.1	-176.2	-176.7	0	0	0	0	110.6	S501 T504 A505 K512	S501-S507 WeakPolarHBondContact CB-O 3.45Å; T504-S507 WeakPolarHBondContact OG1-CB 3.24Å; T504-S507 PolarHBondContact OG1-OG 3.28Å; A505-S507 PolarHBondContact O-N 2.97Å; S507-K512 WeakPolarHBondContact OG-CE 3.36Å; S507-K512 PolarHBondContact OG-NZ 2.85Å
508	S	53.5	Low	56.4	Low	20 Å²	20	49.4 Å²	49.4	14%	0.14	28%	0.275	C	S	.	.			trans	-62.9	149.8	166	75.6	0	0	0	0	109.4	M510 E511	S508-M510 PolarHBondContact O-N 2.75Å; S508-M510 VanDerWaalsContact O-N 3.16Å; S508-M510 PolarHBondContact OG-N 3.19Å; S508-E511 WeakPolarHBondContact CB-OE1 3.05Å; S508-E511 PolarHBondContact N-OE1 3.24Å; S508-E511 PolarHBondContact O-N 2.95Å; S508-E511 WeakPolarHBondContact OG-CG 3.43Å; S508-E511 PolarHBondContact OG-N 2.72Å; S508-E511 PolarHBondContact OG-OE1 2.83Å
509	P	56.2	Low	58.9	Low	61 Å²	61	53.5 Å²	53.5	40%	0.396	29%	0.29	S	S	.	.	H	α-helix	trans	-58.4	-25.7	172.9	-25.9	35.6	0	0	0	113.3	K512 D513	P509-K512 PolarHBondContact O-N 3.43Å; P509-D513 PolarHBondContact O-N 3.28Å
510	M	58.8	Low	61.3	Low	30 Å²	30	48.4 Å²	48.4	15%	0.148	26%	0.264	C	S	.	.	H	α-helix	trans	-72.7	-35.5	-178.4	-63.9	177	65.3	0	0	113.3	I441 Y444 S508 K512	I441-M510 HydrophobicContact CB-CE 4.45Å; I441-M510 HydrophobicContact CG1-CE 3.88Å; Y444-M510 HydrophobicContact CD2-CE 3.67Å; Y444-M510 HydrophobicContact CD2-CG 4.16Å; Y444-M510 HydrophobicContact CD2-SD 3.81Å; Y444-M510 HydrophobicContact CE2-CE 4.3Å; Y444-M510 HydrophobicContact CE2-CG 3.89Å; Y444-M510 HydrophobicContact CE2-SD 4.15Å; Y444-M510 HydrophobicContact CG-CE 4.33Å; Y444-M510 HydrophobicContact CG-SD 4.21Å; S508-M510 PolarHBondContact O-N 2.75Å; S508-M510 VanDerWaalsContact O-N 3.16Å; S508-M510 PolarHBondContact OG-N 3.19Å; M510-K512 PolarHBondContact O-N 2.95Å
511	E	62.4	Low	63.8	Low	7 Å²	7	45 Å²	45	3%	0.033	25%	0.245	C	C	.	.	H	α-helix	trans	-64.7	-25.1	174.7	-73.9	151.8	-105.5	0	0	112.2	F506 S508 Y684	F506-E511 WeakPolarHBondContact CA-OE2 3.45Å; S508-E511 WeakPolarHBondContact CB-OE1 3.05Å; S508-E511 PolarHBondContact N-OE1 3.24Å; S508-E511 PolarHBondContact O-N 2.95Å; S508-E511 WeakPolarHBondContact OG-CG 3.43Å; S508-E511 PolarHBondContact OG-N 2.72Å; S508-E511 PolarHBondContact OG-OE1 2.83Å; E511-Y684 WeakPolarHBondContact O-CB 3.24Å
512	K	67.6	Low	66	Low	58 Å²	58	48.8 Å²	48.8	25%	0.252	26%	0.264	S	S	.	.	H	α-helix	trans	-88.1	-37.7	-178.6	-59.7	-179.8	-179.7	176.9	0	113.5	S507 P509 M510 V514 E669 Y684	S507-K512 WeakPolarHBondContact OG-CE 3.36Å; S507-K512 PolarHBondContact OG-NZ 2.85Å; P509-K512 PolarHBondContact O-N 3.43Å; M510-K512 PolarHBondContact O-N 2.95Å; K512-V514 PolarHBondContact O-N 3.4Å; K512-E669 IonicContact NZ-OE1 3.35Å; K512-E669 PolarHBondContact NZ-OE1 3.32Å; K512-Y684 HydrophobicContact CG-CD1 4.24Å; K512-Y684 HydrophobicContact CG-CE1 3.83Å
513	D	67.3	Low	68.1	Low	76 Å²	76	49.4 Å²	49.4	41%	0.406	26%	0.264	S	S	.	.			trans	-83.2	54.3	-175.9	-173.9	19.7	0	0	0	112.8	R440 P509 T515	R440-D513 IonicContact CZ-OD1 3.14Å; R440-D513 IonicContact CZ-OD2 2.65Å; R440-D513 IonicContact NE-OD2 2.67Å; R440-D513 PolarHBondContact NE-OD2 3.4Å; R440-D513 IonicContact NH2-OD1 3.28Å; R440-D513 PolarHBondContact NH2-OD1 2.85Å; R440-D513 IonicContact NH2-OD2 2.64Å; R440-D513 PolarHBondContact NH2-OD2 3.13Å; P509-D513 PolarHBondContact O-N 3.28Å; D513-T515 PolarHBondContact O-N 3.38Å
514	V	80.7	Confident	70.3	Confident	13 Å²	13	44.4 Å²	44.4	8%	0.079	24%	0.241	C	C	.	.			trans	-72.9	115.3	171.4	-178.5	0	0	0	0	108.7	F422 K512 A685 A688	F422-V514 HydrophobicContact CB-CG1 4.34Å; K512-V514 PolarHBondContact O-N 3.4Å; V514-A685 HydrophobicContact CG1-CB 4.25Å; V514-A688 HydrophobicContact CB-CB 3.95Å; V514-A688 HydrophobicContact CG1-CB 4.04Å; V514-A688 WeakPolarHBondContact O-CB 3.29Å
515	T	82.4	Confident	72.4	Confident	42 Å²	42	44.6 Å²	44.6	26%	0.258	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-85.5	123.9	172.6	-50.5	0	0	0	0	109.5	H434 A436 N437 R440 D513	H434-T515 PolarHBondContact CD2-O 3.24Å; A436-T515 HydrophobicContact CB-CG2 4.06Å; N437-T515 VanDerWaalsContact OD1-CB 3.23Å; N437-T515 WeakPolarHBondContact OD1-CB 3.4Å; N437-T515 PolarHBondContact OD1-N 2.84Å; N437-T515 PolarHBondContact OD1-OG1 3.2Å; R440-T515 PolarHBondContact NH1-OG1 2.8Å; R440-T515 PolarHBondContact NH2-OG1 3.43Å; D513-T515 PolarHBondContact O-N 3.38Å
516	P	85.3	Confident	74.6	Confident	37 Å²	37	47 Å²	47	24%	0.24	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-72.8	151.1	178.5	30.2	-34.8	0	0	0	111.7	L521 Y689	P516-L521 HydrophobicContact CB-CB 4.48Å; P516-L521 HydrophobicContact CB-CD2 4.48Å; P516-L521 HydrophobicContact CG-CD2 3.99Å; P516-Y689 HydrophobicContact CB-CD1 3.98Å; P516-Y689 HydrophobicContact CB-CD2 4.29Å; P516-Y689 HydrophobicContact CB-CE1 3.56Å; P516-Y689 HydrophobicContact CB-CE2 3.92Å; P516-Y689 HydrophobicContact CB-CG 4.33Å
517	D	87.9	Confident	76.1	Confident	23 Å²	23	45.5 Å²	45.5	12%	0.123	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-69.8	131.9	165	169.8	-96.5	0	0	0	109.7	Y432 Q519 L520 L521 Y689	Y432-D517 WeakPolarHBondContact CD1-OD1 3.43Å; D517-Q519 PolarHBondContact O-N 3.35Å; D517-Q519 WeakPolarHBondContact OD1-CA 3.42Å; D517-Q519 WeakPolarHBondContact OD1-CB 3.5Å; D517-Q519 PolarHBondContact OD1-N 3.02Å; D517-L520 HydrophobicContact CB-CB 4.39Å; D517-L520 PolarHBondContact O-N 3.2Å; D517-L520 PolarHBondContact OD1-N 3.01Å; D517-L521 VanDerWaalsContact O-CB 3.3Å; D517-L521 WeakPolarHBondContact O-CB 3.25Å; D517-L521 PolarHBondContact O-N 2.81Å; D517-Y689 PolarHBondContact N-OH 3.27Å
518	P	86.3	Confident	77.6	Confident	83 Å²	83	45 Å²	45	54%	0.539	24%	0.236	S	C	.	.	H	α-helix	trans	-65.1	-36	-177.3	24.7	-34.4	0	0	0	113.3	L521 D522	P518-L521 PolarHBondContact O-N 3.08Å; P518-D522 WeakPolarHBondContact O-CB 3.4Å; P518-D522 VanDerWaalsContact O-CG 3.25Å; P518-D522 PolarHBondContact O-N 2.8Å
519	Q	87.5	Confident	78.6	Confident	132 Å²	132	47 Å²	47	62%	0.617	25%	0.25	S	S	*	.	H	α-helix	trans	-71.2	-35	-177.1	-55.9	-172.8	27.3	0	0	112	Y432 D517 R523	Y432-Q519 HydrophobicContact CE1-CB 4.38Å; D517-Q519 PolarHBondContact O-N 3.35Å; D517-Q519 WeakPolarHBondContact OD1-CA 3.42Å; D517-Q519 WeakPolarHBondContact OD1-CB 3.5Å; D517-Q519 PolarHBondContact OD1-N 3.02Å; Q519-R523 WeakPolarHBondContact O-CD 3.43Å; Q519-R523 VanDerWaalsContact O-CG 3.26Å; Q519-R523 WeakPolarHBondContact O-CG 3.41Å; Q519-R523 PolarHBondContact O-N 3.01Å
520	L	87.9	Confident	79.5	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-73	-39.2	172.1	-173.8	52.7	0	0	0	111.2	V427 Y432 D517 R523 V524 I551 F555 Y689	V427-L520 HydrophobicContact CG2-CD2 4.42Å; Y432-L520 HydrophobicContact CD1-CB 3.7Å; Y432-L520 HydrophobicContact CD2-CB 4.43Å; Y432-L520 HydrophobicContact CD2-CD1 4.31Å; Y432-L520 HydrophobicContact CD2-CD2 3.93Å; Y432-L520 HydrophobicContact CD2-CG 4.47Å; Y432-L520 HydrophobicContact CE1-CB 3.93Å; Y432-L520 HydrophobicContact CE1-CD1 4.37Å; Y432-L520 HydrophobicContact CE2-CD1 3.96Å; Y432-L520 HydrophobicContact CE2-CD2 4.4Å; Y432-L520 HydrophobicContact CG-CB 3.96Å; Y432-L520 HydrophobicContact CG-CD2 4.05Å; Y432-L520 HydrophobicContact CG-CG 4.46Å; D517-L520 HydrophobicContact CB-CB 4.39Å; D517-L520 PolarHBondContact O-N 3.2Å; D517-L520 PolarHBondContact OD1-N 3.01Å; L520-R523 PolarHBondContact O-N 2.82Å; L520-V524 WeakPolarHBondContact O-CG2 3.49Å; L520-V524 PolarHBondContact O-N 2.93Å; L520-I551 HydrophobicContact CD1-CG2 4.02Å; L520-F555 HydrophobicContact CD1-CE2 4.19Å; L520-F555 HydrophobicContact CD2-CE2 4.18Å; L520-F555 HydrophobicContact CD2-CZ 3.84Å; L520-F555 HydrophobicContact CG-CE2 4.13Å; L520-F555 HydrophobicContact CG-CZ 4.14Å; L520-Y689 HydrophobicContact CB-CE1 3.81Å; L520-Y689 HydrophobicContact CD2-CE1 4.05Å; L520-Y689 HydrophobicContact CG-CD1 4.4Å; L520-Y689 HydrophobicContact CG-CE1 3.72Å
521	L	87	Confident	80.1	Confident	37 Å²	37	46 Å²	46	19%	0.194	24%	0.24	C	C	.	.	H	α-helix	trans	-63.6	-43.5	178.1	-177.1	62.9	0	0	0	111.7	P516 D517 P518 R523 V524 N525 Y689	P516-L521 HydrophobicContact CB-CB 4.48Å; P516-L521 HydrophobicContact CB-CD2 4.48Å; P516-L521 HydrophobicContact CG-CD2 3.99Å; D517-L521 VanDerWaalsContact O-CB 3.3Å; D517-L521 WeakPolarHBondContact O-CB 3.25Å; D517-L521 PolarHBondContact O-N 2.81Å; P518-L521 PolarHBondContact O-N 3.08Å; L521-R523 VanDerWaalsContact C-N 3.33Å; L521-R523 PolarHBondContact O-N 3.28Å; L521-V524 PolarHBondContact O-N 3.22Å; L521-N525 VanDerWaalsContact O-CG 3.26Å; L521-N525 PolarHBondContact O-N 2.77Å; L521-N525 PolarHBondContact O-ND2 2.72Å; L521-Y689 HydrophobicContact CB-CD1 4.13Å; L521-Y689 HydrophobicContact CB-CE1 4.03Å; L521-Y689 HydrophobicContact CD1-CD1 3.94Å
522	D	86.3	Confident	80.4	Confident	103 Å²	103	47.6 Å²	47.6	55%	0.551	25%	0.249	S	C	*	.	H	α-helix	trans	-61.4	-40.8	175.7	-71.8	-20.8	0	0	0	111.5	P518 N525 E526	P518-D522 WeakPolarHBondContact O-CB 3.4Å; P518-D522 VanDerWaalsContact O-CG 3.25Å; P518-D522 PolarHBondContact O-N 2.8Å; D522-N525 PolarHBondContact O-N 3.16Å; D522-E526 WeakPolarHBondContact O-CB 3.46Å; D522-E526 PolarHBondContact O-N 2.91Å
523	R	85.3	Confident	80.4	Confident	101 Å²	101	50.5 Å²	50.5	38%	0.381	26%	0.262	S	S	.	.	H	α-helix	trans	-66.4	-35.2	174.4	-72	170.5	180	-76.8	-3.1	113.5	Y432 Q519 L520 L521 C527 I551	Y432-R523 WeakPolarHBondContact OH-CD 3.46Å; Y432-R523 PolarHBondContact OH-NE 2.96Å; Q519-R523 WeakPolarHBondContact O-CD 3.43Å; Q519-R523 VanDerWaalsContact O-CG 3.26Å; Q519-R523 WeakPolarHBondContact O-CG 3.41Å; Q519-R523 PolarHBondContact O-N 3.01Å; L520-R523 PolarHBondContact O-N 2.82Å; L521-R523 VanDerWaalsContact C-N 3.33Å; L521-R523 PolarHBondContact O-N 3.28Å; R523-C527 WeakPolarHBondContact O-CB 3.48Å; R523-C527 PolarHBondContact O-N 3.39Å; R523-I551 HydrophobicContact CB-CD1 4.07Å
524	V	85.3	Confident	80.4	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-66.4	-47.2	173.9	168.5	0	0	0	0	109.9	L520 L521 C527 S528 I551 I552 F555 Y689 P706	L520-V524 WeakPolarHBondContact O-CG2 3.49Å; L520-V524 PolarHBondContact O-N 2.93Å; L521-V524 PolarHBondContact O-N 3.22Å; V524-C527 PolarHBondContact O-N 3.19Å; V524-S528 WeakPolarHBondContact O-CB 3.49Å; V524-S528 PolarHBondContact O-N 2.98Å; V524-I551 HydrophobicContact CG2-CG2 3.8Å; V524-I552 HydrophobicContact CG1-CD1 4.24Å; V524-F555 HydrophobicContact CG2-CD2 3.75Å; V524-F555 HydrophobicContact CG2-CE2 3.43Å; V524-F555 VanDerWaalsContact CG2-CE2 3.43Å; V524-F555 HydrophobicContact CG2-CZ 4.33Å; V524-Y689 HydrophobicContact CG2-CD1 4.32Å; V524-P706 HydrophobicContact CG1-CG 3.76Å
525	N	84.6	Confident	79.6	Confident	34 Å²	34	52.5 Å²	52.5	18%	0.182	26%	0.263	C	S	.	.	H	α-helix	trans	-62.8	-41.6	175.9	-63.4	-42.8	0	0	0	111.9	L521 D522 S528 S529	L521-N525 VanDerWaalsContact O-CG 3.26Å; L521-N525 PolarHBondContact O-N 2.77Å; L521-N525 PolarHBondContact O-ND2 2.72Å; D522-N525 PolarHBondContact O-N 3.16Å; N525-S528 PolarHBondContact O-N 3.46Å; N525-S529 WeakPolarHBondContact O-CB 3.48Å; N525-S529 PolarHBondContact O-N 2.89Å; N525-S529 PolarHBondContact O-OG 2.79Å
526	E	83	Confident	78.6	Confident	87 Å²	87	57.8 Å²	57.8	41%	0.407	28%	0.283	S	S	.	.	H	α-helix	trans	-58.6	-51.8	174.7	-172.8	-163.4	169	0	0	110.6	D522 S528 S529 Q530	D522-E526 WeakPolarHBondContact O-CB 3.46Å; D522-E526 PolarHBondContact O-N 2.91Å; E526-S528 PolarHBondContact O-N 2.72Å; E526-S529 PolarHBondContact O-N 2.92Å; E526-S529 PolarHBondContact O-OG 3.39Å; E526-Q530 WeakPolarHBondContact O-CG 3.28Å; E526-Q530 PolarHBondContact O-N 3.21Å; E526-Q530 PolarHBondContact OE1-NE2 3.29Å; E526-Q530 VanDerWaalsContact OE1-NE2 3.09Å
527	C	78.1	Confident	77.4	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.4	-44.6	179.3	-168.6	0	0	0	0	111.7	R523 V524 S529 Q530 L531 L548 I552	R523-C527 WeakPolarHBondContact O-CB 3.48Å; R523-C527 PolarHBondContact O-N 3.39Å; V524-C527 PolarHBondContact O-N 3.19Å; C527-S529 VanDerWaalsContact C-N 3.34Å; C527-S529 PolarHBondContact O-N 3.08Å; C527-Q530 PolarHBondContact O-N 3.12Å; C527-L531 WeakPolarHBondContact O-CB 3.31Å; C527-L531 WeakPolarHBondContact O-CG 3.19Å; C527-L531 PolarHBondContact O-N 2.85Å; C527-L548 HydrophobicContact CB-CB 4.07Å; C527-L548 HydrophobicContact CB-CD2 4.45Å; C527-I552 HydrophobicContact CB-CD1 4.34Å; C527-I552 HydrophobicContact CB-CG1 3.77Å; C527-I552 WeakPolarHBondContact SG-CG1 3.41Å
528	S	75.5	Confident	75.8	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.007	33%	0.329	C	S	.	.	H	α-helix	trans	-60.5	-39.2	176.6	-90.4	0	0	0	0	113.3	V524 N525 E526 L531 D532 P706	V524-S528 WeakPolarHBondContact O-CB 3.49Å; V524-S528 PolarHBondContact O-N 2.98Å; N525-S528 PolarHBondContact O-N 3.46Å; E526-S528 PolarHBondContact O-N 2.72Å; S528-L531 PolarHBondContact O-N 2.68Å; S528-D532 WeakPolarHBondContact O-CB 3.48Å; S528-D532 PolarHBondContact O-N 3.28Å; S528-P706 WeakPolarHBondContact CB-O 3.49Å; S528-P706 WeakPolarHBondContact OG-CG 3.46Å; S528-P706 PolarHBondContact OG-O 3.45Å
529	S	74.8	Confident	74.2	Confident	63 Å²	63	69.9 Å²	69.9	44%	0.441	33%	0.327	S	S	.	.	H	α-helix	trans	-70.5	-35	177.2	64.9	0	0	0	0	112.6	N525 E526 C527 F533	N525-S529 WeakPolarHBondContact O-CB 3.48Å; N525-S529 PolarHBondContact O-N 2.89Å; N525-S529 PolarHBondContact O-OG 2.79Å; E526-S529 PolarHBondContact O-N 2.92Å; E526-S529 PolarHBondContact O-OG 3.39Å; C527-S529 VanDerWaalsContact C-N 3.34Å; C527-S529 PolarHBondContact O-N 3.08Å; S529-F533 WeakPolarHBondContact O-CB 3.43Å; S529-F533 PolarHBondContact O-N 2.91Å
530	Q	74.7	Confident	72.4	Confident	57 Å²	57	67.1 Å²	67.1	27%	0.266	32%	0.322	S	S	.	.	H	α-helix	trans	-66.2	-40.9	171.1	-69.1	176.3	23.7	0	0	112	E526 C527 F533 M534 L544	E526-Q530 WeakPolarHBondContact O-CG 3.28Å; E526-Q530 PolarHBondContact O-N 3.21Å; E526-Q530 PolarHBondContact OE1-NE2 3.29Å; E526-Q530 VanDerWaalsContact OE1-NE2 3.09Å; C527-Q530 PolarHBondContact O-N 3.12Å; Q530-F533 PolarHBondContact O-N 2.99Å; Q530-M534 WeakPolarHBondContact O-CB 3.42Å; Q530-M534 VanDerWaalsContact O-CG 3.27Å; Q530-M534 WeakPolarHBondContact O-CG 3.42Å; Q530-M534 PolarHBondContact O-N 2.91Å; Q530-L544 HydrophobicContact CB-CD1 4.03Å
531	L	72.3	Confident	70.7	Confident	12 Å²	12	70.6 Å²	70.6	6%	0.063	34%	0.34	C	S	.	.	H	α-helix	trans	-63.1	-43	176.8	-72.9	170.5	0	0	0	112.3	C527 S528 M534 R535 M541 L544 I552	C527-L531 WeakPolarHBondContact O-CB 3.31Å; C527-L531 WeakPolarHBondContact O-CG 3.19Å; C527-L531 PolarHBondContact O-N 2.85Å; S528-L531 PolarHBondContact O-N 2.68Å; L531-M534 PolarHBondContact O-N 2.66Å; L531-R535 WeakPolarHBondContact O-CB 3.41Å; L531-R535 PolarHBondContact O-N 3.02Å; L531-M541 HydrophobicContact CD2-CE 3.47Å; L531-M541 VanDerWaalsContact CD2-CE 3.47Å; L531-M541 HydrophobicContact CD2-SD 3.43Å; L531-M541 WeakPolarHBondContact CD2-SD 3.47Å; L531-L544 HydrophobicContact CD2-CD1 4.47Å; L531-L544 HydrophobicContact CD2-CD2 3.98Å; L531-I552 HydrophobicContact CD1-CG1 4.1Å; L531-I552 HydrophobicContact CD1-CG2 4.21Å
532	D	69.3	Low	68.9	Low	40 Å²	40	73.1 Å²	73.1	21%	0.214	36%	0.36	C	S	.	.	H	α-helix	trans	-68	-43.5	177.3	-164.5	45	0	0	0	111.5	S528 M534 R535 F536 H707	S528-D532 WeakPolarHBondContact O-CB 3.48Å; S528-D532 PolarHBondContact O-N 3.28Å; D532-M534 VanDerWaalsContact C-N 3.34Å; D532-M534 PolarHBondContact O-N 3.29Å; D532-R535 VanDerWaalsContact O-CB 3.3Å; D532-R535 WeakPolarHBondContact O-CB 3.35Å; D532-R535 PolarHBondContact O-N 3.42Å; D532-R535 VanDerWaalsContact O-N 3.11Å; D532-F536 VanDerWaalsContact O-CD2 3.3Å; D532-F536 WeakPolarHBondContact O-CD2 3.37Å; D532-F536 PolarHBondContact O-N 2.97Å; D532-F536 WeakPolarHBondContact OD2-CE2 3.29Å; D532-H707 HydrophobicContact CB-CB 4.49Å
533	F	68.2	Low	67.3	Low	120 Å²	120	75 Å²	75	53%	0.526	37%	0.365	S	S	.	.	H	α-helix	trans	-57.2	-44.2	172.5	-179.7	-95.4	0	0	0	112.6	S529 Q530 R535 F536 H537	S529-F533 WeakPolarHBondContact O-CB 3.43Å; S529-F533 PolarHBondContact O-N 2.91Å; Q530-F533 PolarHBondContact O-N 2.99Å; F533-R535 VanDerWaalsContact C-N 3.32Å; F533-R535 PolarHBondContact O-N 3.02Å; F533-F536 PolarHBondContact O-N 3.11Å; F533-H537 AromaticContact CD2-CD2 3.86Å; F533-H537 AromaticContact CE1-CD2 3.71Å; F533-H537 AromaticContact CE2-CD2 3.46Å; F533-H537 VanDerWaalsContact CE2-CD2 3.46Å; F533-H537 WeakPolarHBondContact CE2-CD2 3.45Å; F533-H537 AromaticContact CE2-NE2 3.39Å; F533-H537 WeakPolarHBondContact CE2-NE2 3.47Å; F533-H537 AromaticContact CZ-CD2 3.37Å; F533-H537 WeakPolarHBondContact CZ-CD2 3.44Å; F533-H537 AromaticContact CZ-NE2 3.55Å; F533-H537 PolarHBondContact O-CD2 2.88Å; F533-H537 PolarHBondContact O-N 3.37Å; F533-H537 VanDerWaalsContact O-N 3.16Å
534	M	66.2	Low	66.1	Low	16 Å²	16	71 Å²	71	8%	0.079	35%	0.352	C	S	.	.	H	α-helix	trans	-66.7	-32.5	176.7	-72	178.8	71	0	0	112.7	Q530 L531 D532 H537 H538 Q539 S540 H543 L544	Q530-M534 WeakPolarHBondContact O-CB 3.42Å; Q530-M534 VanDerWaalsContact O-CG 3.27Å; Q530-M534 WeakPolarHBondContact O-CG 3.42Å; Q530-M534 PolarHBondContact O-N 2.91Å; L531-M534 PolarHBondContact O-N 2.66Å; D532-M534 VanDerWaalsContact C-N 3.34Å; D532-M534 PolarHBondContact O-N 3.29Å; M534-H537 CarbonylContact O-C 3.5Å; M534-H537 PolarHBondContact O-N 3.18Å; M534-H538 PolarHBondContact O-N 3.13Å; M534-H538 VanDerWaalsContact O-N 3.08Å; M534-Q539 HydrophobicContact CB-CB 4.46Å; M534-Q539 HydrophobicContact CE-CB 4.18Å; M534-Q539 HydrophobicContact CG-CB 4.48Å; M534-Q539 PolarHBondContact O-N 3.26Å; M534-S540 WeakPolarHBondContact CE-O 3.38Å; M534-H543 HydrophobicContact CE-CB 4.08Å; M534-L544 HydrophobicContact SD-CD1 4.21Å
535	R	64.8	Low	65.2	Low	114 Å²	114	74.4 Å²	74.4	43%	0.43	37%	0.374	S	S	.	.	H	α-helix	trans	-63.7	-47.9	172.8	-172.9	-167.2	-165.5	166.7	7.6	111.3	L531 D532 F533 H537 H538 L708	L531-R535 WeakPolarHBondContact O-CB 3.41Å; L531-R535 PolarHBondContact O-N 3.02Å; D532-R535 VanDerWaalsContact O-CB 3.3Å; D532-R535 WeakPolarHBondContact O-CB 3.35Å; D532-R535 PolarHBondContact O-N 3.42Å; D532-R535 VanDerWaalsContact O-N 3.11Å; F533-R535 VanDerWaalsContact C-N 3.32Å; F533-R535 PolarHBondContact O-N 3.02Å; R535-H537 PolarHBondContact O-N 2.68Å; R535-H538 PolarHBondContact O-N 3.43Å; R535-L708 PolarHBondContact NH1-O 2.97Å
536	F	60	Low	64.4	Low	154 Å²	154	75.9 Å²	75.9	68%	0.675	39%	0.386	S	S	*	.	H	α-helix	trans	-61.9	-28.6	176	-83	-72.7	0	0	0	113.4	D532 F533	D532-F536 VanDerWaalsContact O-CD2 3.3Å; D532-F536 WeakPolarHBondContact O-CD2 3.37Å; D532-F536 PolarHBondContact O-N 2.97Å; D532-F536 WeakPolarHBondContact OD2-CE2 3.29Å; F533-F536 PolarHBondContact O-N 3.11Å
537	H	60.8	Low	63.6	Low	106 Å²	106	72.8 Å²	72.8	49%	0.491	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	8.8	-179.3	-73.4	-63.3	0	0	0	115.3	F533 M534 R535 Q539	F533-H537 AromaticContact CD2-CD2 3.86Å; F533-H537 AromaticContact CE1-CD2 3.71Å; F533-H537 AromaticContact CE2-CD2 3.46Å; F533-H537 VanDerWaalsContact CE2-CD2 3.46Å; F533-H537 WeakPolarHBondContact CE2-CD2 3.45Å; F533-H537 AromaticContact CE2-NE2 3.39Å; F533-H537 WeakPolarHBondContact CE2-NE2 3.47Å; F533-H537 AromaticContact CZ-CD2 3.37Å; F533-H537 WeakPolarHBondContact CZ-CD2 3.44Å; F533-H537 AromaticContact CZ-NE2 3.55Å; F533-H537 PolarHBondContact O-CD2 2.88Å; F533-H537 PolarHBondContact O-N 3.37Å; F533-H537 VanDerWaalsContact O-N 3.16Å; M534-H537 CarbonylContact O-C 3.5Å; M534-H537 PolarHBondContact O-N 3.18Å; R535-H537 PolarHBondContact O-N 2.68Å; H537-Q539 HydrophobicContact CB-CG 4.11Å; H537-Q539 PolarHBondContact O-N 2.95Å; H537-Q539 VanDerWaalsContact O-N 3.12Å
538	H	54.8	Low	63.6	Low	185 Å²	185	73.4 Å²	73.4	86%	0.856	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	31.5	-178	-75.9	-78.2	0	0	0	114.6	M534 R535	M534-H538 PolarHBondContact O-N 3.13Å; M534-H538 VanDerWaalsContact O-N 3.08Å; R535-H538 PolarHBondContact O-N 3.43Å
539	Q	52.6	Low	63.8	Low	106 Å²	106	75 Å²	75	50%	0.495	39%	0.393	S	S	.	.			trans	-86.9	142	-178.2	-67.4	-170.3	0.5	0	0	112.2	M534 H537 M541	M534-Q539 HydrophobicContact CB-CB 4.46Å; M534-Q539 HydrophobicContact CE-CB 4.18Å; M534-Q539 HydrophobicContact CG-CB 4.48Å; M534-Q539 PolarHBondContact O-N 3.26Å; H537-Q539 HydrophobicContact CB-CG 4.11Å; H537-Q539 PolarHBondContact O-N 2.95Å; H537-Q539 VanDerWaalsContact O-N 3.12Å; Q539-M541 PolarHBondContact O-N 3.49Å
540	S	48.7	Very low	64.4	Low	73 Å²	73	72.3 Å²	72.3	51%	0.51	37%	0.373	S	S	.	.			trans	-63.8	129.5	179.6	175.8	0	0	0	0	112	M534 S542 H543	M534-S540 WeakPolarHBondContact CE-O 3.38Å; S540-S542 WeakPolarHBondContact CB-OG 3.49Å; S540-S542 PolarHBondContact O-N 2.73Å; S540-S542 PolarHBondContact OG-N 2.83Å; S540-S542 PolarHBondContact OG-OG 2.98Å; S540-H543 PolarHBondContact O-CD2 3.06Å; S540-H543 PolarHBondContact O-N 3.03Å; S540-H543 VanDerWaalsContact O-N 3.15Å
541	M	52.6	Low	65.1	Low	74 Å²	74	69.7 Å²	69.7	37%	0.365	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-50	-19.8	173.8	-70.1	-77.7	-72.6	0	0	114.4	L531 Q539 H543 L544 T737	L531-M541 HydrophobicContact CD2-CE 3.47Å; L531-M541 VanDerWaalsContact CD2-CE 3.47Å; L531-M541 HydrophobicContact CD2-SD 3.43Å; L531-M541 WeakPolarHBondContact CD2-SD 3.47Å; Q539-M541 PolarHBondContact O-N 3.49Å; M541-H543 PolarHBondContact O-N 3.46Å; M541-H543 VanDerWaalsContact O-N 3.1Å; M541-L544 PolarHBondContact O-N 2.79Å; M541-T737 HydrophobicContact CB-CG2 4.31Å; M541-T737 HydrophobicContact CG-CG2 3.81Å
542	S	49.2	Very low	65.8	Low	90 Å²	90	69.7 Å²	69.7	63%	0.629	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-60.3	-13.3	175.6	57	0	0	0	0	115.3	S540	S540-S542 WeakPolarHBondContact CB-OG 3.49Å; S540-S542 PolarHBondContact O-N 2.73Å; S540-S542 PolarHBondContact OG-N 2.83Å; S540-S542 PolarHBondContact OG-OG 2.98Å
543	H	51.9	Low	66.8	Low	142 Å²	142	68.6 Å²	68.6	66%	0.657	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-90.8	-10.1	178.6	-69.1	-83.7	0	0	0	114.6	M534 S540 M541	M534-H543 HydrophobicContact CE-CB 4.08Å; S540-H543 PolarHBondContact O-CD2 3.06Å; S540-H543 PolarHBondContact O-N 3.03Å; S540-H543 VanDerWaalsContact O-N 3.15Å; M541-H543 PolarHBondContact O-N 3.46Å; M541-H543 VanDerWaalsContact O-N 3.1Å
544	L	60.7	Low	68.1	Low	18 Å²	18	62.9 Å²	62.9	9%	0.094	33%	0.33	C	S	.	.	S	Bend	trans	-65.7	136.4	-179.1	-164.2	73.8	0	0	0	111.1	Q530 L531 M534 M541 S546	Q530-L544 HydrophobicContact CB-CD1 4.03Å; L531-L544 HydrophobicContact CD2-CD1 4.47Å; L531-L544 HydrophobicContact CD2-CD2 3.98Å; M534-L544 HydrophobicContact SD-CD1 4.21Å; M541-L544 PolarHBondContact O-N 2.79Å; L544-S546 PolarHBondContact O-N 2.63Å; L544-S546 VanDerWaalsContact O-N 3.14Å
545	P	66.9	Low	69.3	Low	71 Å²	71	62.1 Å²	62.1	46%	0.461	33%	0.327	S	S	.	.			trans	-56.2	121.8	174.3	-25.3	34.6	0	0	0	110.4	G547 L548 S549	P545-G547 PolarHBondContact O-N 3.04Å; P545-L548 HydrophobicContact CB-CD1 4.29Å; P545-L548 HydrophobicContact CB-CG 4.4Å; P545-L548 HydrophobicContact CG-CD1 4.19Å; P545-L548 WeakPolarHBondContact O-CB 3.37Å; P545-L548 PolarHBondContact O-N 3.04Å; P545-S549 PolarHBondContact O-N 3.06Å
546	S	66.9	Low	70.6	Confident	64 Å²	64	56.9 Å²	56.9	45%	0.448	31%	0.307	S	S	.	.	H	α-helix	trans	-60.8	-24.2	-167.2	59.8	0	0	0	0	114.6	L544 L548 S549 D550 R768	L544-S546 PolarHBondContact O-N 2.63Å; L544-S546 VanDerWaalsContact O-N 3.14Å; S546-L548 VanDerWaalsContact C-N 3.29Å; S546-L548 PolarHBondContact O-N 3.23Å; S546-S549 PolarHBondContact O-N 3.46Å; S546-D550 WeakPolarHBondContact O-CB 3.48Å; S546-D550 PolarHBondContact O-N 3.03Å; S546-D550 VanDerWaalsContact O-OD2 3.06Å; S546-R768 PolarHBondContact OG-NH1 3.43Å; S546-R768 PolarHBondContact OG-NH2 3.01Å
547	G	67.3	Low	72.2	Confident	23 Å²	23	49.7 Å²	49.7	24%	0.237	28%	0.276	C	S	.	.	H	α-helix	trans	-72.4	-16.3	173.9	0	0	0	0	0	115	P545 I551 R768	P545-G547 PolarHBondContact O-N 3.04Å; G547-I551 WeakPolarHBondContact O-CD1 3.37Å; G547-I551 WeakPolarHBondContact O-CG1 3.23Å; G547-R768 VanDerWaalsContact CA-NH2 3.26Å; G547-R768 VanDerWaalsContact N-NH2 3.15Å
548	L	76.6	Confident	73.7	Confident	12 Å²	12	44.9 Å²	44.9	6%	0.063	25%	0.254	C	S	.	.	H	α-helix	trans	-88.5	-38.7	170.7	-64.2	179.6	0	0	0	110.7	C527 P545 S546 D550 I551 I552	C527-L548 HydrophobicContact CB-CB 4.07Å; C527-L548 HydrophobicContact CB-CD2 4.45Å; P545-L548 HydrophobicContact CB-CD1 4.29Å; P545-L548 HydrophobicContact CB-CG 4.4Å; P545-L548 HydrophobicContact CG-CD1 4.19Å; P545-L548 WeakPolarHBondContact O-CB 3.37Å; P545-L548 PolarHBondContact O-N 3.04Å; S546-L548 VanDerWaalsContact C-N 3.29Å; S546-L548 PolarHBondContact O-N 3.23Å; L548-D550 PolarHBondContact O-N 2.94Å; L548-I551 HydrophobicContact CD2-CD1 4.47Å; L548-I551 PolarHBondContact O-N 2.89Å; L548-I551 VanDerWaalsContact O-N 3.11Å; L548-I552 PolarHBondContact O-N 3.33Å; L548-I552 VanDerWaalsContact O-N 3.15Å
549	S	81.6	Confident	75.5	Confident	35 Å²	35	36 Å²	36	25%	0.245	21%	0.213	C	C	.	.	H	α-helix	trans	-53.7	-53.6	167.3	-174.9	0	0	0	0	110.8	P545 S546 I551 I552 D553	P545-S549 PolarHBondContact O-N 3.06Å; S546-S549 PolarHBondContact O-N 3.46Å; S549-I551 PolarHBondContact O-N 3.16Å; S549-I552 PolarHBondContact O-N 3.31Å; S549-I552 VanDerWaalsContact O-N 3.13Å; S549-D553 VanDerWaalsContact C-OD2 3.22Å; S549-D553 VanDerWaalsContact O-CB 3.32Å; S549-D553 WeakPolarHBondContact O-CB 3.45Å; S549-D553 PolarHBondContact O-N 3.22Å; S549-D553 PolarHBondContact OG-OD2 3.29Å
550	D	86.2	Confident	77.4	Confident	6 Å²	6	31 Å²	31	3%	0.032	19%	0.189	C	C	.	.	H	α-helix	trans	-52.7	-26.4	179	-68.8	-36.5	0	0	0	112.9	A428 S546 L548 F554 R768 H836 L838	A428-D550 HydrophobicContact CB-CB 4.02Å; S546-D550 WeakPolarHBondContact O-CB 3.48Å; S546-D550 PolarHBondContact O-N 3.03Å; S546-D550 VanDerWaalsContact O-OD2 3.06Å; L548-D550 PolarHBondContact O-N 2.94Å; D550-F554 WeakPolarHBondContact O-CB 3.47Å; D550-F554 PolarHBondContact O-N 2.81Å; D550-R768 IonicContact OD2-NH2 3.11Å; D550-R768 PolarHBondContact OD2-NH2 2.95Å; D550-H836 IonicContact OD1-CD2 2.69Å; D550-H836 IonicContact OD1-CE1 3.8Å; D550-H836 IonicContact OD1-NE2 2.7Å; D550-H836 PolarHBondContact OD1-NE2 3.14Å; D550-H836 IonicContact OD2-NE2 3.4Å; D550-H836 PolarHBondContact OD2-NE2 3.38Å; D550-L838 HydrophobicContact CB-CD2 4.44Å
551	I	89.6	Confident	79.5	Confident	3 Å²	3	27.6 Å²	27.6	2%	0.015	17%	0.165	C	C	.	.	H	α-helix	trans	-82.2	-49.5	177.8	-67.7	167.8	0	0	0	112.1	V427 L520 R523 V524 G547 L548 S549 F554 F555	V427-I551 HydrophobicContact CB-CG1 4.43Å; V427-I551 HydrophobicContact CG1-CB 4.29Å; V427-I551 HydrophobicContact CG1-CG1 3.71Å; L520-I551 HydrophobicContact CD1-CG2 4.02Å; R523-I551 HydrophobicContact CB-CD1 4.07Å; V524-I551 HydrophobicContact CG2-CG2 3.8Å; G547-I551 WeakPolarHBondContact O-CD1 3.37Å; G547-I551 WeakPolarHBondContact O-CG1 3.23Å; L548-I551 HydrophobicContact CD2-CD1 4.47Å; L548-I551 PolarHBondContact O-N 2.89Å; L548-I551 VanDerWaalsContact O-N 3.11Å; S549-I551 PolarHBondContact O-N 3.16Å; I551-F554 WeakPolarHBondContact O-CB 3.19Å; I551-F554 PolarHBondContact O-N 3.47Å; I551-F555 HydrophobicContact CG2-CD2 4.19Å; I551-F555 HydrophobicContact CG2-CE2 4.15Å; I551-F555 WeakPolarHBondContact O-CD2 3.3Å; I551-F555 PolarHBondContact O-N 3.06Å
552	I	87.9	Confident	81.3	Confident	11 Å²	11	24.1 Å²	24.1	6%	0.056	15%	0.148	C	C	.	.	H	α-helix	trans	-67.2	-40	178.2	-71.2	-64.3	0	0	0	110.9	V524 C527 L531 L548 S549 F554 F555 I556	V524-I552 HydrophobicContact CG1-CD1 4.24Å; C527-I552 HydrophobicContact CB-CD1 4.34Å; C527-I552 HydrophobicContact CB-CG1 3.77Å; C527-I552 WeakPolarHBondContact SG-CG1 3.41Å; L531-I552 HydrophobicContact CD1-CG1 4.1Å; L531-I552 HydrophobicContact CD1-CG2 4.21Å; L548-I552 PolarHBondContact O-N 3.33Å; L548-I552 VanDerWaalsContact O-N 3.15Å; S549-I552 PolarHBondContact O-N 3.31Å; S549-I552 VanDerWaalsContact O-N 3.13Å; I552-F554 PolarHBondContact O-N 3.21Å; I552-F555 PolarHBondContact O-N 3.33Å; I552-I556 HydrophobicContact CG2-CD1 3.62Å; I552-I556 HydrophobicContact CG2-CG1 4.21Å; I552-I556 WeakPolarHBondContact O-CB 3.46Å; I552-I556 VanDerWaalsContact O-CG1 3.31Å; I552-I556 WeakPolarHBondContact O-CG1 3.48Å; I552-I556 PolarHBondContact O-N 2.85Å
553	D	90.3	Very high	83	Confident	17 Å²	17	20.4 Å²	20.4	9%	0.091	12%	0.122	C	C	.	.	H	α-helix	trans	-57.7	-35.3	171.8	-75.8	-84.4	0	0	0	112.6	S549 A557 Y743 K795 L838	S549-D553 VanDerWaalsContact C-OD2 3.22Å; S549-D553 VanDerWaalsContact O-CB 3.32Å; S549-D553 WeakPolarHBondContact O-CB 3.45Å; S549-D553 PolarHBondContact O-N 3.22Å; S549-D553 PolarHBondContact OG-OD2 3.29Å; D553-A557 VanDerWaalsContact O-CB 3.24Å; D553-A557 WeakPolarHBondContact O-CB 3.48Å; D553-A557 PolarHBondContact O-N 3.35Å; D553-Y743 HydrophobicContact CB-CE1 4.47Å; D553-Y743 PolarHBondContact OD1-OH 2.95Å; D553-K795 HydrophobicContact CB-CD 4.13Å; D553-K795 WeakPolarHBondContact OD1-CD 3.47Å; D553-K795 IonicContact OD1-NZ 2.68Å; D553-K795 PolarHBondContact OD1-NZ 2.9Å; D553-K795 IonicContact OD2-NZ 2.71Å; D553-K795 PolarHBondContact OD2-NZ 2.94Å; D553-L838 HydrophobicContact CB-CD1 3.96Å; D553-L838 HydrophobicContact CB-CD2 3.65Å; D553-L838 HydrophobicContact CB-CG 4.47Å
554	F	93.8	Very high	84.6	Confident	0 Å²	0	13.7 Å²	13.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-67.7	-42.9	176.5	177.1	-97.1	0	0	0	111.9	C425 V427 D550 I551 I552 A557 L558 I793 L838 T841	C425-F554 HydrophobicContact CB-CE1 4.41Å; C425-F554 HydrophobicContact CB-CZ 4.15Å; V427-F554 HydrophobicContact CG1-CB 3.83Å; V427-F554 HydrophobicContact CG1-CD1 4.16Å; V427-F554 HydrophobicContact CG1-CD2 4.41Å; V427-F554 HydrophobicContact CG1-CG 3.9Å; V427-F554 HydrophobicContact CG2-CD1 3.62Å; V427-F554 HydrophobicContact CG2-CD2 4.4Å; V427-F554 HydrophobicContact CG2-CE1 3.55Å; V427-F554 HydrophobicContact CG2-CE2 4.35Å; V427-F554 HydrophobicContact CG2-CG 4.04Å; V427-F554 HydrophobicContact CG2-CZ 3.94Å; D550-F554 WeakPolarHBondContact O-CB 3.47Å; D550-F554 PolarHBondContact O-N 2.81Å; I551-F554 WeakPolarHBondContact O-CB 3.19Å; I551-F554 PolarHBondContact O-N 3.47Å; I552-F554 PolarHBondContact O-N 3.21Å; F554-A557 PolarHBondContact O-N 3.09Å; F554-L558 HydrophobicContact CD1-CD1 3.92Å; F554-L558 HydrophobicContact CE1-CD1 3.59Å; F554-L558 HydrophobicContact CE1-CG 4.44Å; F554-L558 HydrophobicContact CZ-CD1 4.18Å; F554-L558 WeakPolarHBondContact O-CG 3.5Å; F554-L558 PolarHBondContact O-N 3.48Å; F554-I793 HydrophobicContact CD2-CB 4.2Å; F554-I793 HydrophobicContact CD2-CD1 4.32Å; F554-I793 HydrophobicContact CD2-CG2 4.36Å; F554-I793 HydrophobicContact CE2-CB 4.17Å; F554-I793 HydrophobicContact CE2-CD1 3.85Å; F554-I793 HydrophobicContact CE2-CG1 4.33Å; F554-I793 HydrophobicContact CZ-CD1 4.36Å; F554-L838 HydrophobicContact CB-CB 4.26Å; F554-L838 HydrophobicContact CD2-CB 4.21Å; F554-T841 HydrophobicContact CE2-CG2 4.41Å; F554-T841 HydrophobicContact CZ-CG2 3.73Å
555	F	92.8	Very high	85.5	Confident	1 Å²	1	14.3 Å²	14.3	0%	0.004	10%	0.095	C	C	.	.	H	α-helix	trans	-72.1	-36	175.8	-76.1	-70.7	0	0	0	113.3	L520 V524 I551 I552 A557 L558 T559 A686 Y689 C691	L520-F555 HydrophobicContact CD1-CE2 4.19Å; L520-F555 HydrophobicContact CD2-CE2 4.18Å; L520-F555 HydrophobicContact CD2-CZ 3.84Å; L520-F555 HydrophobicContact CG-CE2 4.13Å; L520-F555 HydrophobicContact CG-CZ 4.14Å; V524-F555 HydrophobicContact CG2-CD2 3.75Å; V524-F555 HydrophobicContact CG2-CE2 3.43Å; V524-F555 VanDerWaalsContact CG2-CE2 3.43Å; V524-F555 HydrophobicContact CG2-CZ 4.33Å; I551-F555 HydrophobicContact CG2-CD2 4.19Å; I551-F555 HydrophobicContact CG2-CE2 4.15Å; I551-F555 WeakPolarHBondContact O-CD2 3.3Å; I551-F555 PolarHBondContact O-N 3.06Å; I552-F555 PolarHBondContact O-N 3.33Å; F555-A557 VanDerWaalsContact C-N 3.32Å; F555-A557 PolarHBondContact O-N 2.87Å; F555-L558 HydrophobicContact CD1-CD1 3.79Å; F555-L558 HydrophobicContact CE1-CD1 4.05Å; F555-L558 WeakPolarHBondContact O-CB 3.44Å; F555-L558 PolarHBondContact O-N 3.36Å; F555-T559 PolarHBondContact O-N 3.32Å; F555-T559 PolarHBondContact O-OG1 2.87Å; F555-T559 VanDerWaalsContact O-OG1 3.13Å; F555-A686 HydrophobicContact CD1-CB 4.28Å; F555-Y689 HydrophobicContact CD1-CD2 4.44Å; F555-Y689 HydrophobicContact CD1-CG 4.49Å; F555-Y689 HydrophobicContact CE1-CD1 4.43Å; F555-Y689 AromaticContact CE1-CD2 3.34Å; F555-Y689 HydrophobicContact CE1-CD2 3.34Å; F555-Y689 HydrophobicContact CE1-CE2 4.01Å; F555-Y689 AromaticContact CE1-CG 3.59Å; F555-Y689 HydrophobicContact CE1-CG 3.59Å; F555-Y689 HydrophobicContact CE2-CD1 4.45Å; F555-Y689 HydrophobicContact CE2-CG 4.3Å; F555-Y689 AromaticContact CZ-CD1 3.85Å; F555-Y689 HydrophobicContact CZ-CD1 3.85Å; F555-Y689 AromaticContact CZ-CD2 3.49Å; F555-Y689 HydrophobicContact CZ-CD2 3.49Å; F555-Y689 VanDerWaalsContact CZ-CD2 3.49Å; F555-Y689 HydrophobicContact CZ-CE1 4.22Å; F555-Y689 AromaticContact CZ-CE2 3.89Å; F555-Y689 HydrophobicContact CZ-CE2 3.89Å; F555-Y689 AromaticContact CZ-CG 3.46Å; F555-Y689 HydrophobicContact CZ-CG 3.46Å; F555-Y689 VanDerWaalsContact CZ-CG 3.46Å; F555-C691 HydrophobicContact CB-CB 4.18Å
556	I	92	Very high	86.1	Confident	4 Å²	4	12.4 Å²	12.4	2%	0.021	8%	0.082	C	C	.	.	H	α-helix	trans	-61	-42.9	170.5	-69.6	170.6	0	0	0	110.3	I552 L558 T559 I560 L705 F713 Y743	I552-I556 HydrophobicContact CG2-CD1 3.62Å; I552-I556 HydrophobicContact CG2-CG1 4.21Å; I552-I556 WeakPolarHBondContact O-CB 3.46Å; I552-I556 VanDerWaalsContact O-CG1 3.31Å; I552-I556 WeakPolarHBondContact O-CG1 3.48Å; I552-I556 PolarHBondContact O-N 2.85Å; I556-L558 PolarHBondContact O-N 3.2Å; I556-T559 WeakPolarHBondContact CA-OG1 3.42Å; I556-T559 PolarHBondContact O-N 2.74Å; I556-T559 PolarHBondContact O-OG1 3.18Å; I556-I560 HydrophobicContact CG2-CD1 3.68Å; I556-I560 HydrophobicContact CG2-CG1 4.31Å; I556-I560 WeakPolarHBondContact O-CB 3.22Å; I556-I560 WeakPolarHBondContact O-CG1 3.44Å; I556-I560 PolarHBondContact O-N 3.05Å; I556-L705 HydrophobicContact CD1-CD1 4.18Å; I556-L705 HydrophobicContact CG1-CD1 4.29Å; I556-L705 HydrophobicContact CG1-CD2 4.31Å; I556-F713 HydrophobicContact CD1-CZ 4.16Å; I556-F713 HydrophobicContact CG1-CZ 4.48Å; I556-F713 HydrophobicContact CG2-CE1 4.07Å; I556-F713 HydrophobicContact CG2-CZ 4.07Å; I556-Y743 HydrophobicContact CG2-CE2 3.86Å
557	A	93.4	Very high	86.1	Confident	2 Å²	2	9.8 Å²	9.8	2%	0.017	6%	0.063	C	C	.	.	H	α-helix	trans	-62.1	-41	175.3	0	0	0	0	0	112.3	D553 F554 F555 C561 Y743 I793 L838	D553-A557 VanDerWaalsContact O-CB 3.24Å; D553-A557 WeakPolarHBondContact O-CB 3.48Å; D553-A557 PolarHBondContact O-N 3.35Å; F554-A557 PolarHBondContact O-N 3.09Å; F555-A557 VanDerWaalsContact C-N 3.32Å; F555-A557 PolarHBondContact O-N 2.87Å; A557-C561 WeakPolarHBondContact O-CA 3.21Å; A557-C561 WeakPolarHBondContact O-CB 3.36Å; A557-C561 PolarHBondContact O-N 3.49Å; A557-Y743 HydrophobicContact CB-CD1 3.58Å; A557-Y743 HydrophobicContact CB-CE1 4.16Å; A557-Y743 HydrophobicContact CB-CG 4.06Å; A557-I793 HydrophobicContact CB-CG2 3.45Å; A557-I793 VanDerWaalsContact CB-CG2 3.45Å; A557-L838 HydrophobicContact CB-CD1 4.35Å
558	L	92.9	Very high	85.6	Confident	5 Å²	5	11.8 Å²	11.8	3%	0.026	7%	0.074	C	C	.	.	H	α-helix	trans	-61.4	-45.3	174	-72.7	168.5	0	0	0	112.3	F554 F555 I556 N562 L682 A686 I793 T841	F554-L558 HydrophobicContact CD1-CD1 3.92Å; F554-L558 HydrophobicContact CE1-CD1 3.59Å; F554-L558 HydrophobicContact CE1-CG 4.44Å; F554-L558 HydrophobicContact CZ-CD1 4.18Å; F554-L558 WeakPolarHBondContact O-CG 3.5Å; F554-L558 PolarHBondContact O-N 3.48Å; F555-L558 HydrophobicContact CD1-CD1 3.79Å; F555-L558 HydrophobicContact CE1-CD1 4.05Å; F555-L558 WeakPolarHBondContact O-CB 3.44Å; F555-L558 PolarHBondContact O-N 3.36Å; I556-L558 PolarHBondContact O-N 3.2Å; L558-N562 PolarHBondContact O-ND2 3.33Å; L558-L682 HydrophobicContact CD2-CB 3.95Å; L558-L682 HydrophobicContact CD2-CD1 4.43Å; L558-L682 HydrophobicContact CD2-CD2 3.69Å; L558-L682 HydrophobicContact CD2-CG 4.22Å; L558-A686 HydrophobicContact CB-CB 4.04Å; L558-I793 HydrophobicContact CD2-CD1 3.44Å; L558-I793 VanDerWaalsContact CD2-CD1 3.44Å; L558-I793 HydrophobicContact CG-CD1 3.91Å; L558-T841 HydrophobicContact CD2-CG2 4.25Å
559	T	92.4	Very high	84.3	Confident	0 Å²	0	13.8 Å²	13.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-73.5	-30	-178.1	49.8	0	0	0	0	114.4	F555 I556 N562 A686 C691 V703	F555-T559 PolarHBondContact O-N 3.32Å; F555-T559 PolarHBondContact O-OG1 2.87Å; F555-T559 VanDerWaalsContact O-OG1 3.13Å; I556-T559 WeakPolarHBondContact CA-OG1 3.42Å; I556-T559 PolarHBondContact O-N 2.74Å; I556-T559 PolarHBondContact O-OG1 3.18Å; T559-N562 PolarHBondContact O-ND2 3.27Å; T559-A686 HydrophobicContact CG2-CB 3.59Å; T559-C691 HydrophobicContact CG2-CB 4.04Å; T559-C691 WeakPolarHBondContact CG2-O 3.28Å; T559-V703 HydrophobicContact CG2-CG1 4.22Å
560	I	92.4	Very high	82.3	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-105.3	-36.9	-172	-57.1	-175	0	0	0	113	I556 N562 R696 V701 V703 F713 V730 V732	I556-I560 HydrophobicContact CG2-CD1 3.68Å; I556-I560 HydrophobicContact CG2-CG1 4.31Å; I556-I560 WeakPolarHBondContact O-CB 3.22Å; I556-I560 WeakPolarHBondContact O-CG1 3.44Å; I556-I560 PolarHBondContact O-N 3.05Å; I560-N562 VanDerWaalsContact C-N 3.3Å; I560-N562 PolarHBondContact O-N 3.47Å; I560-R696 PolarHBondContact O-NH1 3.38Å; I560-R696 PolarHBondContact O-NH2 3.32Å; I560-V701 HydrophobicContact CG1-CG1 4.23Å; I560-V701 HydrophobicContact CG2-CB 4.39Å; I560-V701 HydrophobicContact CG2-CG1 4.43Å; I560-V701 HydrophobicContact CG2-CG2 4.15Å; I560-V703 HydrophobicContact CD1-CG2 3.92Å; I560-V703 HydrophobicContact CG1-CG2 3.64Å; I560-F713 HydrophobicContact CD1-CB 4.05Å; I560-F713 HydrophobicContact CD1-CD1 3.75Å; I560-F713 HydrophobicContact CD1-CD2 3.64Å; I560-F713 HydrophobicContact CD1-CE1 4.03Å; I560-F713 HydrophobicContact CD1-CE2 3.95Å; I560-F713 HydrophobicContact CD1-CG 3.54Å; I560-F713 HydrophobicContact CD1-CZ 4.14Å; I560-V730 HydrophobicContact CG2-CG2 4.05Å; I560-V732 HydrophobicContact CG2-CG1 3.77Å
561	C	92.7	Very high	80.2	Confident	2 Å²	2	22.7 Å²	22.7	1%	0.014	13%	0.13	C	C	.	.	S	Bend	trans	-80.4	75.4	-177.6	-163.9	0	0	0	0	110.5	A557 V730 Y743 K745	A557-C561 WeakPolarHBondContact O-CA 3.21Å; A557-C561 WeakPolarHBondContact O-CB 3.36Å; A557-C561 PolarHBondContact O-N 3.49Å; C561-V730 HydrophobicContact CB-CG2 3.81Å; C561-Y743 PolarHBondContact SG-O 3.37Å; C561-K745 WeakPolarHBondContact O-CD 3.22Å; C561-K745 WeakPolarHBondContact O-CE 3.38Å; C561-K745 PolarHBondContact O-NZ 2.87Å
562	N	90.5	Very high	77.5	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.005	16%	0.162	C	C	.	.	S	Bend	trans	-164.3	174.6	-179.3	56.9	62.2	0	0	0	109.8	L558 T559 I560 V564 E679 V683 R696 M728	L558-N562 PolarHBondContact O-ND2 3.33Å; T559-N562 PolarHBondContact O-ND2 3.27Å; I560-N562 VanDerWaalsContact C-N 3.3Å; I560-N562 PolarHBondContact O-N 3.47Å; N562-V564 HydrophobicContact CB-CB 4.41Å; N562-V564 HydrophobicContact CB-CG2 4Å; N562-V564 WeakPolarHBondContact OD1-CB 3.26Å; N562-V564 PolarHBondContact OD1-N 2.9Å; N562-V564 VanDerWaalsContact OD1-N 3.13Å; N562-E679 WeakPolarHBondContact CA-OE2 3.49Å; N562-E679 HydrophobicContact CB-CB 4.38Å; N562-E679 WeakPolarHBondContact CB-OE2 3.45Å; N562-V683 WeakPolarHBondContact ND2-CG2 3.42Å; N562-R696 PolarHBondContact O-NH1 3.29Å; N562-R696 PolarHBondContact O-NH2 3.29Å; N562-R696 VanDerWaalsContact O-NH2 3.16Å; N562-R696 PolarHBondContact OD1-NH1 3.14Å; N562-M728 VanDerWaalsContact CA-SD 3.56Å
563	T	85	Confident	75.2	Confident	12 Å²	12	29.8 Å²	29.8	7%	0.074	17%	0.169	C	C	.	.			trans	-110.8	24	167	47.9	0	0	0	0	112.3	E679 M728	T563-E679 PolarHBondContact N-OE2 3.47Å; T563-M728 HydrophobicContact CG2-CE 3.82Å
564	V	85.3	Confident	72.3	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.197	C	C	.	.			trans	-67.5	131.8	-176.1	170.9	0	0	0	0	111.4	N562 Y672 E673 A674 E679 V683 L693 R696	N562-V564 HydrophobicContact CB-CB 4.41Å; N562-V564 HydrophobicContact CB-CG2 4Å; N562-V564 WeakPolarHBondContact OD1-CB 3.26Å; N562-V564 PolarHBondContact OD1-N 2.9Å; N562-V564 VanDerWaalsContact OD1-N 3.13Å; V564-Y672 HydrophobicContact CG1-CD1 4.05Å; V564-Y672 HydrophobicContact CG1-CG 4.09Å; V564-E673 WeakPolarHBondContact CA-O 3.31Å; V564-A674 HydrophobicContact CG2-CB 3.97Å; V564-E679 HydrophobicContact CG2-CB 3.96Å; V564-V683 HydrophobicContact CB-CG2 4.37Å; V564-V683 HydrophobicContact CG2-CG2 3.98Å; V564-L693 HydrophobicContact CB-CD2 4.13Å; V564-L693 HydrophobicContact CG1-CD2 3.91Å; V564-R696 WeakPolarHBondContact O-CD 3.39Å
565	V	78.9	Confident	69.3	Low	32 Å²	32	42.2 Å²	42.2	19%	0.194	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	139.1	174.8	-178.3	0	0	0	0	109	E673	V565-E673 PolarHBondContact N-O 3.17Å; V565-E673 PolarHBondContact O-N 2.72Å
566	V	79.1	Confident	66.3	Low	30 Å²	30	45.4 Å²	45.4	18%	0.182	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	114.7	175.5	-167.6	0	0	0	0	108.8	L670 R671 Y672 L693	V566-L670 HydrophobicContact CG1-CB 4.31Å; V566-L670 HydrophobicContact CG1-CD2 4.07Å; V566-R671 WeakPolarHBondContact CA-O 3.43Å; V566-Y672 HydrophobicContact CG1-CD1 4.37Å; V566-Y672 HydrophobicContact CG1-CE1 4.23Å; V566-Y672 HydrophobicContact CG2-CD1 4.04Å; V566-Y672 HydrophobicContact CG2-CE1 3.97Å; V566-L693 HydrophobicContact CG2-CD2 3.93Å; V566-L693 HydrophobicContact CG2-CG 3.75Å
567	T	67	Low	63.3	Low	9 Å²	9	53.3 Å²	53.3	6%	0.055	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	136.8	175.4	45.7	0	0	0	0	111.5	R573 R671 E673	T567-R573 PolarHBondContact OG1-NH2 2.86Å; T567-R671 PolarHBondContact N-O 3.08Å; T567-E673 VanDerWaalsContact CG2-OE2 3.28Å; T567-E673 WeakPolarHBondContact CG2-OE2 3.25Å
568	S	56.9	Low	60.2	Low	65 Å²	65	55.7 Å²	55.7	46%	0.455	29%	0.288	S	S	.	.			trans	-72.9	151.7	171.6	85.9	0	0	0	0	110.7	N570	S568-N570 PolarHBondContact O-N 2.7Å
569	P	50.4	Low	57.3	Low	55 Å²	55	60.1 Å²	60.1	36%	0.357	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-10.9	-178.6	27.1	-35.1	0	0	0	114.4
570	N	39.2	Very low	54.5	Low	140 Å²	140	64.3 Å²	64.3	75%	0.749	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-6.5	-168.2	-71.3	1.4	0	0	0	115.4	S568 P572	S568-N570 PolarHBondContact O-N 2.7Å; N570-P572 WeakPolarHBondContact O-CD 3.43Å
571	Q	41.4	Very low	51.6	Low	87 Å²	87	68.9 Å²	68.9	41%	0.407	34%	0.344	S	S	.	.	S	Bend	trans	-83.4	115.2	172.1	-82.8	-174.6	-15	0	0	110.9	R573	Q571-R573 PolarHBondContact O-N 2.77Å; Q571-R573 VanDerWaalsContact O-N 3.11Å
572	P	34	Very low	48.9	Very low	107 Å²	107	72.1 Å²	72.1	70%	0.695	36%	0.361	S	S	*	.			trans	-72.7	106.3	179.8	29	-33.7	0	0	0	110.8	N570 H574	N570-P572 WeakPolarHBondContact O-CD 3.43Å; P572-H574 VanDerWaalsContact C-N 3.32Å; P572-H574 PolarHBondContact O-N 2.81Å
573	R	38.6	Very low	46.1	Very low	57 Å²	57	77.7 Å²	77.7	22%	0.215	39%	0.385	C	S	.	.			trans	-67.9	83.2	177.9	-73.9	-174.2	177.4	73	-3.6	112	H503 T567 Q571 K575 E673	H503-R573 VanDerWaalsContact O-CD 3.22Å; H503-R573 WeakPolarHBondContact O-CD 3.24Å; T567-R573 PolarHBondContact OG1-NH2 2.86Å; Q571-R573 PolarHBondContact O-N 2.77Å; Q571-R573 VanDerWaalsContact O-N 3.11Å; R573-K575 VanDerWaalsContact C-N 3.26Å; R573-K575 PolarHBondContact O-N 2.59Å; R573-E673 IonicContact CZ-OE1 3.26Å; R573-E673 IonicContact NE-OE1 2.96Å; R573-E673 PolarHBondContact NE-OE1 2.85Å; R573-E673 IonicContact NH2-OE1 3.19Å; R573-E673 PolarHBondContact NH2-OE1 3.08Å; R573-E673 IonicContact NH2-OE2 2.75Å; R573-E673 PolarHBondContact NH2-OE2 3.08Å
574	H	29.9	Very low	43.9	Very low	145 Å²	145	78 Å²	78	67%	0.671	39%	0.387	S	S	*	.			trans	-66.7	87.5	159.8	-91.2	-100.9	0	0	0	109.7	P572 V576	P572-H574 VanDerWaalsContact C-N 3.32Å; P572-H574 PolarHBondContact O-N 2.81Å; H574-V576 VanDerWaalsContact C-N 3.3Å; H574-V576 PolarHBondContact O-N 2.9Å
575	K	31.5	Very low	41.7	Very low	132 Å²	132	78.4 Å²	78.4	57%	0.574	39%	0.39	S	S	*	.			trans	-60.8	98.2	158.4	-171.7	171.8	-170.9	170.7	0	106.6	R573 R577	R573-K575 VanDerWaalsContact C-N 3.26Å; R573-K575 PolarHBondContact O-N 2.59Å; K575-R577 PolarHBondContact O-N 2.97Å
576	V	29.1	Very low	39.9	Very low	69 Å²	69	77.3 Å²	77.3	42%	0.418	38%	0.384	S	S	.	.			trans	-55.2	104.8	-179.2	173.8	0	0	0	0	107.9	N157 H574 T578	N157-V576 HydrophobicContact CB-CG2 4.09Å; N157-V576 WeakPolarHBondContact O-CG2 3.37Å; H574-V576 VanDerWaalsContact C-N 3.3Å; H574-V576 PolarHBondContact O-N 2.9Å; V576-T578 HydrophobicContact CG1-CG2 3.93Å; V576-T578 PolarHBondContact O-N 3.11Å
577	R	29	Very low	38.1	Very low	170 Å²	170	80.3 Å²	80.3	64%	0.642	39%	0.394	S	S	*	.			trans	-80	43.6	-174.3	-153.9	-175.2	-167.5	-171.7	5.6	111.3	D387 K575 R579	D387-R577 IonicContact OD2-CZ 2.99Å; D387-R577 IonicContact OD2-NH2 3.51Å; D387-R577 PolarHBondContact OD2-NH2 2.98Å; K575-R577 PolarHBondContact O-N 2.97Å; R577-R579 HydrophobicContact CG-CG 4.49Å; R577-R579 VanDerWaalsContact NH2-CZ 3.28Å; R577-R579 PolarHBondContact O-N 3.21Å
578	T	28.8	Very low	37.2	Very low	51 Å²	51	82.4 Å²	82.4	31%	0.313	41%	0.407	S	S	.	.			trans	-68	67.7	152.7	50.2	0	0	0	0	108.3	M126 I159 V576 F580	M126-T578 HydrophobicContact CE-CG2 4.42Å; I159-T578 WeakPolarHBondContact CD1-OG1 3.23Å; V576-T578 HydrophobicContact CG1-CG2 3.93Å; V576-T578 PolarHBondContact O-N 3.11Å; T578-F580 VanDerWaalsContact C-N 3.28Å; T578-F580 PolarHBondContact O-N 3.07Å
579	R	31.1	Very low	36.6	Very low	99 Å²	99	82 Å²	82	37%	0.374	40%	0.397	S	S	.	.			trans	-54.5	107.8	145.2	-84.3	-169	177.2	156.3	6	104.8	T386 D387 R577 E581	T386-R579 PolarHBondContact O-NH2 3.34Å; D387-R579 PolarHBondContact O-NH2 3.36Å; D387-R579 IonicContact OD2-CZ 3.01Å; D387-R579 IonicContact OD2-NH1 2.8Å; D387-R579 PolarHBondContact OD2-NH1 3.44Å; D387-R579 IonicContact OD2-NH2 2.78Å; D387-R579 PolarHBondContact OD2-NH2 3.42Å; R577-R579 HydrophobicContact CG-CG 4.49Å; R577-R579 VanDerWaalsContact NH2-CZ 3.28Å; R577-R579 PolarHBondContact O-N 3.21Å; R579-E581 HydrophobicContact CB-CG 4.11Å; R579-E581 WeakPolarHBondContact CD-OE1 3.42Å; R579-E581 IonicContact NH1-OE1 2.77Å; R579-E581 PolarHBondContact NH1-OE1 3.4Å; R579-E581 PolarHBondContact O-N 3.18Å
580	F	34.9	Very low	36.4	Very low	87 Å²	87	81.8 Å²	81.8	38%	0.382	39%	0.392	S	S	.	.			trans	-69	69.5	152	-74.5	-74.3	0	0	0	107.4	I123 T578 L582	I123-F580 HydrophobicContact CD1-CE1 4.27Å; I123-F580 HydrophobicContact CG1-CD1 4.12Å; I123-F580 HydrophobicContact CG1-CE1 3.44Å; I123-F580 VanDerWaalsContact CG1-CE1 3.44Å; I123-F580 HydrophobicContact CG1-CZ 3.78Å; T578-F580 VanDerWaalsContact C-N 3.28Å; T578-F580 PolarHBondContact O-N 3.07Å; F580-L582 PolarHBondContact O-N 3.02Å
581	E	31	Very low	36.8	Very low	96 Å²	96	79.7 Å²	79.7	45%	0.449	38%	0.38	S	S	.	.			trans	-59.7	87.1	157	-91.8	175.3	-141.2	0	0	106.2	R579 K583	R579-E581 HydrophobicContact CB-CG 4.11Å; R579-E581 WeakPolarHBondContact CD-OE1 3.42Å; R579-E581 IonicContact NH1-OE1 2.77Å; R579-E581 PolarHBondContact NH1-OE1 3.4Å; R579-E581 PolarHBondContact O-N 3.18Å; E581-K583 PolarHBondContact O-N 2.74Å
582	L	35.8	Very low	36.9	Very low	70 Å²	70	80.8 Å²	80.8	37%	0.366	38%	0.384	S	S	.	.			trans	-52.3	89.5	135.2	-83.7	98.4	0	0	0	105.3	F580 S584	F580-L582 PolarHBondContact O-N 3.02Å; L582-S584 PolarHBondContact O-N 3.28Å; L582-S584 VanDerWaalsContact O-N 3.11Å
583	K	32.3	Very low	37.7	Very low	118 Å²	118	78.8 Å²	78.8	51%	0.513	37%	0.367	S	S	.	.			trans	-44.1	125	174.9	-68.1	-166.9	173.3	-161.9	0	106.4	E581	E581-K583 PolarHBondContact O-N 2.74Å
584	S	38.4	Very low	38.1	Very low	18 Å²	18	82.1 Å²	82.1	13%	0.126	38%	0.383	C	S	.	.			trans	-52.3	140.3	-177	60.8	0	0	0	0	107.6	L582 V586 K587	L582-S584 PolarHBondContact O-N 3.28Å; L582-S584 VanDerWaalsContact O-N 3.11Å; S584-V586 PolarHBondContact O-N 2.97Å; S584-V586 VanDerWaalsContact O-N 3.11Å; S584-K587 PolarHBondContact O-N 3.36Å; S584-K587 WeakPolarHBondContact OG-CB 3.48Å; S584-K587 PolarHBondContact OG-N 2.91Å; S584-K587 VanDerWaalsContact OG-N 3.09Å
585	P	39.3	Very low	38.9	Very low	10 Å²	10	85.7 Å²	85.7	7%	0.065	39%	0.39	C	S	.	.	H	α-helix	trans	-54.9	-36.6	179.7	22.9	-29	0	0	0	108.9	W111 L395 T588 F589	W111-P585 HydrophobicContact CH2-CB 3.58Å; W111-P585 WeakPolarHBondContact CH2-O 3.42Å; W111-P585 HydrophobicContact CZ2-CB 4.39Å; W111-P585 HydrophobicContact CZ3-CB 4.11Å; L395-P585 HydrophobicContact CD2-CG 3.91Å; P585-T588 PolarHBondContact O-N 2.85Å; P585-F589 WeakPolarHBondContact O-CB 3.13Å; P585-F589 PolarHBondContact O-N 3.22Å
586	V	41	Very low	39.2	Very low	8 Å²	8	86.5 Å²	86.5	5%	0.048	39%	0.394	C	S	.	.	H	α-helix	trans	-49.5	-55.7	170.1	-177.7	0	0	0	0	113.9	V372 Y373 H376 Q377 S584 T588 F589 E590	V372-V586 HydrophobicContact CG1-CG2 4.13Å; Y373-V586 HydrophobicContact CD2-CG1 3.67Å; Y373-V586 HydrophobicContact CE2-CG1 4.06Å; Y373-V586 HydrophobicContact CG-CG1 4.21Å; H376-V586 HydrophobicContact CB-CB 4.02Å; H376-V586 HydrophobicContact CB-CG1 4.04Å; H376-V586 HydrophobicContact CB-CG2 3.8Å; H376-V586 VanDerWaalsContact ND1-CG2 3.31Å; H376-V586 WeakPolarHBondContact ND1-CG2 3.5Å; Q377-V586 HydrophobicContact CG-CG1 4.42Å; S584-V586 PolarHBondContact O-N 2.97Å; S584-V586 VanDerWaalsContact O-N 3.11Å; V586-T588 PolarHBondContact O-N 3.09Å; V586-T588 VanDerWaalsContact O-N 3.07Å; V586-F589 CarbonylContact O-C 3.57Å; V586-F589 WeakPolarHBondContact O-CA 3.49Å; V586-F589 WeakPolarHBondContact O-CB 3.46Å; V586-F589 PolarHBondContact O-N 2.98Å; V586-E590 WeakPolarHBondContact O-CB 3.37Å; V586-E590 PolarHBondContact O-N 3.37Å
587	K	41.7	Very low	39.4	Very low	93 Å²	93	87.3 Å²	87.3	40%	0.404	40%	0.4	S	S	.	.	H	α-helix	trans	-58.7	-27.1	-178	-99.2	170.6	171.9	156	0	113.9	S584	S584-K587 PolarHBondContact O-N 3.36Å; S584-K587 WeakPolarHBondContact OG-CB 3.48Å; S584-K587 PolarHBondContact OG-N 2.91Å; S584-K587 VanDerWaalsContact OG-N 3.09Å
588	T	46.5	Very low	39.6	Very low	54 Å²	54	85 Å²	85	33%	0.331	41%	0.407	S	S	.	.	H	α-helix	trans	-94.3	-22.1	175.3	-31.4	0	0	0	0	112.6	P585 V586 E590 D591 F592	P585-T588 PolarHBondContact O-N 2.85Å; V586-T588 PolarHBondContact O-N 3.09Å; V586-T588 VanDerWaalsContact O-N 3.07Å; T588-E590 VanDerWaalsContact C-N 3.31Å; T588-D591 PolarHBondContact O-N 3.46Å; T588-F592 PolarHBondContact O-N 3.44Å; T588-F592 VanDerWaalsContact O-N 3.13Å
589	F	45.3	Very low	40	Very low	56 Å²	56	87.8 Å²	87.8	25%	0.246	43%	0.428	C	S	.	.	H	α-helix	trans	-72	-29.4	168.2	-159.3	-108.1	0	0	0	111.2	I369 Y373 P585 V586 F592 I593	I369-F589 HydrophobicContact CG2-CD1 4.38Å; I369-F589 HydrophobicContact CG2-CE1 3.95Å; I369-F589 HydrophobicContact CG2-CE2 4.19Å; I369-F589 HydrophobicContact CG2-CZ 3.85Å; Y373-F589 HydrophobicContact CD2-CD1 4.21Å; P585-F589 WeakPolarHBondContact O-CB 3.13Å; P585-F589 PolarHBondContact O-N 3.22Å; V586-F589 CarbonylContact O-C 3.57Å; V586-F589 WeakPolarHBondContact O-CA 3.49Å; V586-F589 WeakPolarHBondContact O-CB 3.46Å; V586-F589 PolarHBondContact O-N 2.98Å; F589-F592 HydrophobicContact CE2-CD1 4.37Å; F589-F592 CarbonylContact O-C 3.53Å; F589-F592 WeakPolarHBondContact O-CB 3.4Å; F589-F592 PolarHBondContact O-N 2.97Å; F589-I593 HydrophobicContact CD1-CD1 3.7Å; F589-I593 HydrophobicContact CD1-CG1 4.18Å; F589-I593 HydrophobicContact CE1-CD1 3.73Å; F589-I593 HydrophobicContact CE1-CG1 4.16Å; F589-I593 WeakPolarHBondContact O-CG1 3.49Å; F589-I593 PolarHBondContact O-N 2.82Å
590	E	45.7	Very low	40.1	Very low	51 Å²	51	94.3 Å²	94.3	24%	0.238	45%	0.452	C	S	.	.	H	α-helix	trans	-63.5	-45.3	170.2	-154.5	-168.6	138.6	0	0	110.8	V586 T588 F592 I593 K594	V586-E590 WeakPolarHBondContact O-CB 3.37Å; V586-E590 PolarHBondContact O-N 3.37Å; T588-E590 VanDerWaalsContact C-N 3.31Å; E590-F592 PolarHBondContact O-N 2.8Å; E590-I593 PolarHBondContact O-N 3.02Å; E590-K594 WeakPolarHBondContact O-CB 3.46Å; E590-K594 WeakPolarHBondContact O-CD 3.39Å; E590-K594 WeakPolarHBondContact O-CG 3.31Å; E590-K594 PolarHBondContact O-N 2.73Å; E590-K594 VanDerWaalsContact OE1-CE 3.29Å; E590-K594 WeakPolarHBondContact OE1-CE 3.43Å; E590-K594 IonicContact OE1-NZ 3.07Å; E590-K594 PolarHBondContact OE1-NZ 3.45Å
591	D	48.3	Very low	40	Very low	96 Å²	96	98.3 Å²	98.3	51%	0.513	48%	0.477	S	S	.	.	H	α-helix	trans	-61.4	-31	170.7	-70.4	-25.5	0	0	0	112.6	T588 R595	T588-D591 PolarHBondContact O-N 3.46Å; D591-R595 PolarHBondContact O-N 3.3Å
592	F	44	Very low	40.1	Very low	109 Å²	109	99.4 Å²	99.4	48%	0.478	49%	0.49	S	S	.	.	H	α-helix	trans	-73.8	-47.8	175.6	-172.4	-92.1	0	0	0	111.7	T588 F589 E590 K594 R595 F596	T588-F592 PolarHBondContact O-N 3.44Å; T588-F592 VanDerWaalsContact O-N 3.13Å; F589-F592 HydrophobicContact CE2-CD1 4.37Å; F589-F592 CarbonylContact O-C 3.53Å; F589-F592 WeakPolarHBondContact O-CB 3.4Å; F589-F592 PolarHBondContact O-N 2.97Å; E590-F592 PolarHBondContact O-N 2.8Å; F592-K594 VanDerWaalsContact C-N 3.34Å; F592-K594 PolarHBondContact O-N 2.66Å; F592-R595 WeakPolarHBondContact O-CA 3.29Å; F592-R595 VanDerWaalsContact O-CB 3.25Å; F592-R595 WeakPolarHBondContact O-CB 3.48Å; F592-R595 PolarHBondContact O-N 3.18Å; F592-F596 AromaticContact CD1-CD2 3.93Å; F592-F596 HydrophobicContact CD1-CD2 3.93Å; F592-F596 HydrophobicContact CD1-CE2 4.32Å; F592-F596 HydrophobicContact CD2-CD2 4.41Å; F592-F596 HydrophobicContact CD2-CE2 4.18Å; F592-F596 AromaticContact CE1-CD2 3.64Å; F592-F596 HydrophobicContact CE1-CD2 3.64Å; F592-F596 AromaticContact CE1-CE2 3.75Å; F592-F596 HydrophobicContact CE1-CE2 3.75Å; F592-F596 HydrophobicContact CE2-CD2 4.16Å; F592-F596 AromaticContact CE2-CE2 3.59Å; F592-F596 HydrophobicContact CE2-CE2 3.59Å; F592-F596 HydrophobicContact CG-CD2 4.31Å; F592-F596 AromaticContact CZ-CD2 3.77Å; F592-F596 HydrophobicContact CZ-CD2 3.77Å; F592-F596 AromaticContact CZ-CE2 3.34Å; F592-F596 HydrophobicContact CZ-CE2 3.34Å; F592-F596 HydrophobicContact CZ-CZ 4.17Å; F592-F596 WeakPolarHBondContact O-CD2 3.3Å; F592-F596 PolarHBondContact O-N 3.07Å; F592-F596 VanDerWaalsContact O-N 3.08Å
593	I	50.5	Low	39.7	Very low	65 Å²	65	102.3 Å²	102.3	33%	0.333	52%	0.517	S	S	.	.	H	α-helix	trans	-61.3	-41.5	174.8	-70.2	171.9	0	0	0	110.8	Y373 F589 E590 R595 F596 T597	Y373-I593 HydrophobicContact CE2-CD1 4.22Å; F589-I593 HydrophobicContact CD1-CD1 3.7Å; F589-I593 HydrophobicContact CD1-CG1 4.18Å; F589-I593 HydrophobicContact CE1-CD1 3.73Å; F589-I593 HydrophobicContact CE1-CG1 4.16Å; F589-I593 WeakPolarHBondContact O-CG1 3.49Å; F589-I593 PolarHBondContact O-N 2.82Å; E590-I593 PolarHBondContact O-N 3.02Å; I593-R595 PolarHBondContact O-N 3.47Å; I593-F596 CarbonylContact O-C 3.49Å; I593-F596 PolarHBondContact O-N 2.98Å; I593-T597 WeakPolarHBondContact O-CB 3.26Å; I593-T597 PolarHBondContact O-N 2.87Å; I593-T597 PolarHBondContact O-OG1 3.25Å
594	K	47.3	Very low	39.4	Very low	128 Å²	128	100.3 Å²	100.3	56%	0.557	53%	0.53	S	S	*	.	H	α-helix	trans	-61.7	-21.3	173.3	-73.5	167.9	-175.2	167.2	0	113.2	E590 F592	E590-K594 WeakPolarHBondContact O-CB 3.46Å; E590-K594 WeakPolarHBondContact O-CD 3.39Å; E590-K594 WeakPolarHBondContact O-CG 3.31Å; E590-K594 PolarHBondContact O-N 2.73Å; E590-K594 VanDerWaalsContact OE1-CE 3.29Å; E590-K594 WeakPolarHBondContact OE1-CE 3.43Å; E590-K594 IonicContact OE1-NZ 3.07Å; E590-K594 PolarHBondContact OE1-NZ 3.45Å; F592-K594 VanDerWaalsContact C-N 3.34Å; F592-K594 PolarHBondContact O-N 2.66Å
595	R	45	Very low	38.8	Very low	220 Å²	220	105.2 Å²	105.2	83%	0.83	56%	0.564	S	S	*	*	H	α-helix	trans	-86	-25.3	172.9	-113.6	174.8	174.3	160.6	-1.3	114.3	D591 F592 I593	D591-R595 PolarHBondContact O-N 3.3Å; F592-R595 WeakPolarHBondContact O-CA 3.29Å; F592-R595 VanDerWaalsContact O-CB 3.25Å; F592-R595 WeakPolarHBondContact O-CB 3.48Å; F592-R595 PolarHBondContact O-N 3.18Å; I593-R595 PolarHBondContact O-N 3.47Å
596	F	37.8	Very low	38.3	Very low	148 Å²	148	112.7 Å²	112.7	65%	0.649	60%	0.603	S	S	*	*	H	α-helix	trans	-102.5	-6	-179.3	-83.9	-82	0	0	0	114.2	F592 I593 P598	F592-F596 AromaticContact CD1-CD2 3.93Å; F592-F596 HydrophobicContact CD1-CD2 3.93Å; F592-F596 HydrophobicContact CD1-CE2 4.32Å; F592-F596 HydrophobicContact CD2-CD2 4.41Å; F592-F596 HydrophobicContact CD2-CE2 4.18Å; F592-F596 AromaticContact CE1-CD2 3.64Å; F592-F596 HydrophobicContact CE1-CD2 3.64Å; F592-F596 AromaticContact CE1-CE2 3.75Å; F592-F596 HydrophobicContact CE1-CE2 3.75Å; F592-F596 HydrophobicContact CE2-CD2 4.16Å; F592-F596 AromaticContact CE2-CE2 3.59Å; F592-F596 HydrophobicContact CE2-CE2 3.59Å; F592-F596 HydrophobicContact CG-CD2 4.31Å; F592-F596 AromaticContact CZ-CD2 3.77Å; F592-F596 HydrophobicContact CZ-CD2 3.77Å; F592-F596 AromaticContact CZ-CE2 3.34Å; F592-F596 HydrophobicContact CZ-CE2 3.34Å; F592-F596 HydrophobicContact CZ-CZ 4.17Å; F592-F596 WeakPolarHBondContact O-CD2 3.3Å; F592-F596 PolarHBondContact O-N 3.07Å; F592-F596 VanDerWaalsContact O-N 3.08Å; I593-F596 CarbonylContact O-C 3.49Å; I593-F596 PolarHBondContact O-N 2.98Å; F596-P598 VanDerWaalsContact O-CD 3.23Å; F596-P598 WeakPolarHBondContact O-CD 3.4Å
597	T	33.3	Very low	37.6	Very low	87 Å²	87	118.3 Å²	118.3	53%	0.534	64%	0.643	S	S	.	*	S	Bend	trans	-87.6	106	174.2	-54	0	0	0	0	109.5	I593 S599	I593-T597 WeakPolarHBondContact O-CB 3.26Å; I593-T597 PolarHBondContact O-N 2.87Å; I593-T597 PolarHBondContact O-OG1 3.25Å; T597-S599 PolarHBondContact O-N 3Å
598	P	34.5	Very low	36.9	Very low	122 Å²	122	119.5 Å²	119.5	79%	0.792	66%	0.663	S	S	*	*			trans	-66.5	127.5	175.3	28.4	-34.1	0	0	0	109.6	F596	F596-P598 VanDerWaalsContact O-CD 3.23Å; F596-P598 WeakPolarHBondContact O-CD 3.4Å
599	S	36	Very low	35.9	Very low	108 Å²	108	123 Å²	123	76%	0.755	69%	0.69	S	S	*	*			trans	-87.7	137.6	-179.8	55.9	0	0	0	0	111.6	T597	T597-S599 PolarHBondContact O-N 3Å
600	R	34.5	Very low	34.9	Very low	236 Å²	236	126.1 Å²	126.1	89%	0.891	72%	0.718	S	S	*	*			trans	77.5	117.7	179.1	-49.2	177.5	-179.8	-156.9	-1.4	116.7
601	L	32.9	Very low	33.9	Very low	172 Å²	172	129.8 Å²	129.8	90%	0.901	75%	0.749	S	S	*	*				-150.1	168.1	105.1	-107.6	170.3	0	0	0	110
602	T	32.5	Very low	32.8	Very low	118 Å²	118	130.1 Å²	130.1	72%	0.724	76%	0.759	S	S	*	*			trans	-124.5	133.1	-160.5	50.4	0	0	0	0	113.9
603	S	28	Very low	31.9	Very low	132 Å²	132	132 Å²	132	92%	0.923	77%	0.774	S	S	*	*			trans	-168.7	147.1	150.7	-79	0	0	0	0	109.4
604	G	25.2	Very low	30.8	Very low	76 Å²	76	135.2 Å²	135.2	78%	0.784	79%	0.791	S	S	*	*			cis	149.7	76.9	-5.7	0	0	0	0	0	113.4
605	S	26.6	Very low	29.7	Very low	120 Å²	120	139.3 Å²	139.3	84%	0.839	80%	0.803	S	S	*	*			trans	-153.4	118.2	171.4	42.7	0	0	0	0	111.6
606	N	27.1	Very low	28.8	Very low	168 Å²	168	133.1 Å²	133.1	90%	0.898	79%	0.794	S	S	*	*			trans	-90.9	146	174.2	-64.9	-29.2	0	0	0	110.3
607	S	27	Very low	28.4	Very low	126 Å²	126	130.8 Å²	130.8	88%	0.881	80%	0.796	S	S	*	*			trans	-140.2	148.8	140.3	65.1	0	0	0	0	108.8
608	S	26.1	Very low	28.1	Very low	117 Å²	117	132.9 Å²	132.9	82%	0.818	80%	0.804	S	S	*	*			trans	-132.4	137.6	-159.8	57	0	0	0	0	112.6
609	S	26.2	Very low	27.7	Very low	129 Å²	129	138.3 Å²	138.3	90%	0.902	81%	0.808	S	S	*	*			trans	-142.3	136.9	151.6	54.3	0	0	0	0	109.4
610	S	24.7	Very low	27.1	Very low	120 Å²	120	137 Å²	137	84%	0.839	81%	0.812	S	S	*	*			trans	-126.6	143.2	-169.3	53.5	0	0	0	0	111.7
611	S	25.2	Very low	26.6	Very low	128 Å²	128	131.9 Å²	131.9	90%	0.895	81%	0.811	S	S	*	*			trans	-148.7	142.7	149.1	56.4	0	0	0	0	108.7
612	S	24.2	Very low	26.2	Very low	103 Å²	103	128.6 Å²	128.6	72%	0.72	80%	0.802	S	S	*	*			trans	-141.4	-166.1	-171.8	64.3	0	0	0	0	109.9
613	L	26.3	Very low	25.9	Very low	150 Å²	150	127.5 Å²	127.5	79%	0.785	80%	0.8	S	S	*	*			trans	76.4	131.8	-173.2	-43.1	168.1	0	0	0	111.7
614	N	26.4	Very low	25.7	Very low	131 Å²	131	128.3 Å²	128.3	70%	0.701	79%	0.793	S	S	*	*			cis	-162.1	170.8	0	-117.6	-28.8	0	0	0	108.4
615	R	25.1	Very low	25.7	Very low	214 Å²	214	132.2 Å²	132.2	81%	0.808	80%	0.795	S	S	*	*			cis	-155	-179.8	8.9	-144.3	-174.8	178	152.5	1.6	111.1
616	S	25	Very low	25.6	Very low	90 Å²	90	131 Å²	131	63%	0.629	79%	0.787	S	S	*	*			trans	-43.7	155.9	160.2	53.6	0	0	0	0	116.1
617	S	29.4	Very low	25.4	Very low	99 Å²	99	128 Å²	128	69%	0.692	78%	0.778	S	S	*	*			cis	-170.3	-160.2	0.9	47.9	0	0	0	0	108.8
618	N	26.6	Very low	25.4	Very low	131 Å²	131	128.1 Å²	128.1	70%	0.701	78%	0.776	S	S	*	*			cis	-165.3	172.8	17.3	-147.4	-11	0	0	0	114.7
619	R	27.5	Very low	25.2	Very low	236 Å²	236	128.3 Å²	128.3	89%	0.891	78%	0.778	S	S	*	*			trans	14.1	125.3	160	-77.9	169.8	-179.5	-170.9	-1.6	121.7
620	G	23.4	Very low	25.1	Very low	80 Å²	80	128.3 Å²	128.3	83%	0.825	77%	0.772	S	S	*	*			trans	177.7	93	160	0	0	0	0	0	114.5
621	C	24.2	Very low	25	Very low	129 Å²	129	130.9 Å²	130.9	87%	0.872	77%	0.771	S	S	*	*			trans	-70	163	174	-68.6	0	0	0	0	112.4
622	S	24.6	Very low	24.9	Very low	103 Å²	103	130.3 Å²	130.3	72%	0.72	77%	0.767	S	S	*	*			cis	-162.4	143.7	9.2	30	0	0	0	0	114.1
623	S	24.6	Very low	25	Very low	96 Å²	96	131.1 Å²	131.1	67%	0.671	77%	0.768	S	S	*	*			trans	39.1	124.8	141.9	66.9	0	0	0	0	124.2
624	L	25.2	Very low	24.8	Very low	149 Å²	149	131.3 Å²	131.3	78%	0.78	77%	0.769	S	S	*	*				64.9	125.4	125.9	-56.6	174.4	0	0	0	118.7
625	L	25	Very low	24.7	Very low	158 Å²	158	131.6 Å²	131.6	83%	0.827	78%	0.776	S	S	*	*				56.9	129.7	75.4	-67.5	178.6	0	0	0	113.2
626	S	23.3	Very low	24.6	Very low	95 Å²	95	130.3 Å²	130.3	66%	0.664	78%	0.776	S	S	*	*			cis	-162.8	163.6	9.6	52.5	0	0	0	0	113.7
627	S	23.6	Very low	24.6	Very low	103 Å²	103	133.4 Å²	133.4	72%	0.72	78%	0.784	S	S	*	*			trans	52.4	128.3	146.9	61.4	0	0	0	0	121.7
628	P	27	Very low	24.3	Very low	130 Å²	130	134.2 Å²	134.2	84%	0.844	78%	0.781	S	S	*	*			trans	-102	142.9	151.6	35.4	-28	0	0	0	112.7
629	S	21.3	Very low	24.3	Very low	121 Å²	121	135.7 Å²	135.7	85%	0.846	78%	0.784	S	S	*	*			trans	-94.6	174	167.4	53.6	0	0	0	0	111.8
630	T	24.4	Very low	24.1	Very low	129 Å²	129	132.7 Å²	132.7	79%	0.791	78%	0.78	S	S	*	*			trans	-82.8	163.5	-172.5	46.3	0	0	0	0	115.4
631	E	23.3	Very low	24.1	Very low	174 Å²	174	136.9 Å²	136.9	81%	0.813	78%	0.778	S	S	*	*			trans	108.9	115.4	149.5	-58	-156.7	121.5	0	0	119.8
632	S	23.1	Very low	24	Very low	115 Å²	115	137.6 Å²	137.6	80%	0.804	77%	0.772	S	S	*	*			trans	69.3	158	148.2	84.3	0	0	0	0	117.4
633	T	25.1	Very low	23.9	Very low	121 Å²	121	138 Å²	138	74%	0.742	78%	0.775	S	S	*	*			cis	-142.7	163.8	11.9	-62.3	0	0	0	0	111.9
634	L	23.4	Very low	23.8	Very low	153 Å²	153	137.3 Å²	137.3	80%	0.801	78%	0.783	S	S	*	*			trans	-49.9	141.7	176.7	-69	145.6	0	0	0	117.8
635	T	24.5	Very low	23.7	Very low	138 Å²	138	136.6 Å²	136.6	85%	0.847	79%	0.785	S	S	*	*				-173.7	120.8	129.3	14.3	0	0	0	0	107.3
636	K	22.8	Very low	23.6	Very low	186 Å²	186	136.7 Å²	136.7	81%	0.809	79%	0.785	S	S	*	*			cis	82.5	137.2	44.8	-117.5	-165.8	-177.3	-165.2	0	114.9
637	L	24.1	Very low	23.6	Very low	155 Å²	155	139.1 Å²	139.1	81%	0.812	79%	0.786	S	S	*	*			trans	73.6	144.3	-173.1	-44.9	174.5	0	0	0	113.8
638	N	24.1	Very low	23.6	Very low	117 Å²	117	141.6 Å²	141.6	63%	0.626	79%	0.786	S	S	*	*			cis	-149.5	141.7	-17.4	-115.9	39	0	0	0	106.4
639	E	25.4	Very low	23.4	Very low	161 Å²	161	139.4 Å²	139.4	75%	0.752	78%	0.779	S	S	*	*				91.4	147.3	65.4	-153.1	164.8	-132.4	0	0	113.6
640	E	24.3	Very low	23.5	Very low	174 Å²	174	142.7 Å²	142.7	81%	0.813	78%	0.779	S	S	*	*			trans	77.1	101.8	171.2	-53.6	-151.7	120.4	0	0	123.5
641	H	22.8	Very low	23.3	Very low	168 Å²	168	142.6 Å²	142.6	78%	0.778	78%	0.783	S	S	*	*				54.4	119.5	113.9	-90.9	-104.1	0	0	0	125.6
642	L	22.7	Very low	23.3	Very low	143 Å²	143	138.4 Å²	138.4	75%	0.749	78%	0.778	S	S	*	*				77.7	121.6	119	-147.6	81.8	0	0	0	123.4
643	S	22.2	Very low	23.1	Very low	113 Å²	113	143.1 Å²	143.1	79%	0.79	79%	0.785	S	S	*	*			trans	60.5	135.3	146.1	61.6	0	0	0	0	122.4
644	G	22.7	Very low	23	Very low	80 Å²	80	142.6 Å²	142.6	83%	0.825	79%	0.786	S	S	*	*			trans	179.6	128.9	162.4	0	0	0	0	0	112.7
645	T	22.1	Very low	23.3	Very low	135 Å²	135	140 Å²	140	83%	0.828	78%	0.778	S	S	*	*			trans	-122.1	147.2	-178.7	-55.6	0	0	0	0	110.5
646	L	23.4	Very low	23.1	Very low	160 Å²	160	140.3 Å²	140.3	84%	0.838	77%	0.77	S	S	*	*			trans	137.5	158.9	161.8	-96.8	83.6	0	0	0	108.4
647	E	23.2	Very low	23.1	Very low	145 Å²	145	139.9 Å²	139.9	68%	0.678	77%	0.765	S	S	*	*			cis	169	154.2	-39.3	-114.5	-152.3	-176.5	0	0	107
648	Q	24.2	Very low	23	Very low	156 Å²	156	140.4 Å²	140.4	73%	0.729	77%	0.768	S	S	*	*			trans	67.6	153.8	166.3	-59.9	165.2	34.1	0	0	115.7
649	A	22.1	Very low	23	Very low	84 Å²	84	143 Å²	143	69%	0.694	78%	0.777	S	S	*	*			cis	-141.4	141.3	15	0	0	0	0	0	115.1
650	F	23	Very low	22.9	Very low	190 Å²	190	144.6 Å²	144.6	83%	0.833	78%	0.781	S	S	*	*			trans	13.8	132.6	151.5	-55.8	-79.6	0	0	0	123.3
651	S	21.7	Very low	22.9	Very low	127 Å²	127	141.9 Å²	141.9	89%	0.888	78%	0.779	S	S	*	*				-153	163.5	107.3	63.1	0	0	0	0	110.3
652	A	21.8	Very low	23	Very low	86 Å²	86	139.7 Å²	139.7	71%	0.711	78%	0.779	S	S	*	*			trans	-149.5	143.7	-174.7	0	0	0	0	0	112.5
653	F	20.1	Very low	23.2	Very low	214 Å²	214	140.3 Å²	140.3	94%	0.939	78%	0.783	S	S	*	*			trans	-166.2	149.4	149.4	-103.9	-66.9	0	0	0	111.6
654	S	21.9	Very low	23.4	Very low	109 Å²	109	143.4 Å²	143.4	76%	0.762	79%	0.785	S	S	*	*			trans	-156.4	162.5	174.1	-96.1	0	0	0	0	106.2
655	P	30.3	Very low	23.7	Very low	100 Å²	100	145.2 Å²	145.2	65%	0.649	78%	0.782	S	S	*	*			cis	-141.7	178.6	27	43.3	-25.6	0	0	0	116.9
656	Q	19.6	Very low	24.2	Very low	143 Å²	143	147.3 Å²	147.3	67%	0.668	78%	0.782	S	S	*	*			trans	56.2	150.1	143.3	-87.1	170.1	-30.5	0	0	120.8
657	Y	24.2	Very low	24.9	Very low	177 Å²	177	148.4 Å²	148.4	69%	0.694	78%	0.783	S	S	*	*			cis	-137.9	150	-0.5	-90.4	-86.5	0	0	0	108.6
658	D	22	Very low	26.3	Very low	166 Å²	166	143.9 Å²	143.9	89%	0.888	78%	0.776	S	S	*	*				-162.3	140.8	121.8	-139.5	-12.9	0	0	0	110
659	E	24.2	Very low	28.2	Very low	172 Å²	172	139.8 Å²	139.8	80%	0.804	76%	0.757	S	S	*	*			trans	-97.3	128.7	-173.3	-72.1	-171.4	130.3	0	0	113.1
660	K	21.7	Very low	30.6	Very low	195 Å²	195	138 Å²	138	85%	0.848	74%	0.735	S	S	*	*			trans	-128.1	138.1	148.7	-78.9	-175.2	176.7	176.3	0	108.8
661	P	25.6	Very low	33.1	Very low	117 Å²	117	131 Å²	131	76%	0.76	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-63.2	141.8	174.8	28.4	-34.3	0	0	0	109.3	D663	P661-D663 PolarHBondContact O-N 3.41Å
662	P	25.4	Very low	35.9	Very low	122 Å²	122	125.1 Å²	125.1	79%	0.792	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-64.5	135.5	171	28.2	-33.3	0	0	0	109.4
663	D	26	Very low	38.5	Very low	155 Å²	155	122.1 Å²	122.1	83%	0.829	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-55.2	143.2	166.2	-79.3	-66.3	0	0	0	109.7	P661	P661-D663 PolarHBondContact O-N 3.41Å
664	H	25.6	Very low	41.2	Very low	179 Å²	179	112.3 Å²	112.3	83%	0.829	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-56	134.3	174.4	-73.7	-91	0	0	0	109.7	E666	H664-E666 PolarHBondContact O-N 3.44Å
665	P	29.4	Very low	43.7	Very low	117 Å²	117	110.5 Å²	110.5	76%	0.76	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-60	130.6	174.4	26.4	-33.8	0	0	0	108.9	E667	P665-E667 PolarHBondContact O-N 3.3Å; P665-E667 VanDerWaalsContact O-N 3.08Å
666	E	32.3	Very low	45.9	Very low	179 Å²	179	107.3 Å²	107.3	84%	0.836	55%	0.55	S	S	*	*			trans	-62.6	114.3	178.4	-63.9	-167.5	136.6	0	0	109.4	H664 G668	H664-E666 PolarHBondContact O-N 3.44Å; E666-G668 PolarHBondContact O-N 3.26Å; E666-G668 VanDerWaalsContact O-N 3.07Å
667	E	39.4	Very low	48.6	Very low	183 Å²	183	100.7 Å²	100.7	86%	0.855	52%	0.52	S	S	*	.			trans	-60.7	114.1	178.8	-66.4	-174.4	144.1	0	0	109.5	P665 E669	P665-E667 PolarHBondContact O-N 3.3Å; P665-E667 VanDerWaalsContact O-N 3.08Å; E667-E669 PolarHBondContact O-N 3.42Å
668	G	52.3	Low	51.4	Low	51 Å²	51	93.9 Å²	93.9	53%	0.526	50%	0.495	S	S	.	.			trans	-53	127.2	-174.2	0	0	0	0	0	112	E666 L670	E666-G668 PolarHBondContact O-N 3.26Å; E666-G668 VanDerWaalsContact O-N 3.07Å; G668-L670 PolarHBondContact O-N 3.03Å
669	E	64.1	Low	54.4	Low	69 Å²	69	86.7 Å²	86.7	32%	0.322	46%	0.457	S	S	.	.			trans	-58.3	96.9	-172.3	-170.7	-151.4	-172.8	0	0	111.6	K512 E667 R671	K512-E669 IonicContact NZ-OE1 3.35Å; K512-E669 PolarHBondContact NZ-OE1 3.32Å; E667-E669 PolarHBondContact O-N 3.42Å; E669-R671 PolarHBondContact O-N 2.81Å; E669-R671 IonicContact OE2-CZ 3.25Å; E669-R671 VanDerWaalsContact OE2-CZ 3.24Å; E669-R671 IonicContact OE2-NE 3.62Å; E669-R671 PolarHBondContact OE2-NE 3.14Å; E669-R671 IonicContact OE2-NH2 2.65Å; E669-R671 PolarHBondContact OE2-NH2 3.44Å
670	L	72.5	Confident	57.3	Low	46 Å²	46	78.5 Å²	78.5	24%	0.241	42%	0.418	C	S	.	.			trans	-58.4	131	172.1	-62.2	179.7	0	0	0	109.9	V566 G668 R687	V566-L670 HydrophobicContact CG1-CB 4.31Å; V566-L670 HydrophobicContact CG1-CD2 4.07Å; G668-L670 PolarHBondContact O-N 3.03Å; L670-R687 PolarHBondContact O-NH1 2.92Å
671	R	75.6	Confident	60.4	Low	43 Å²	43	69.4 Å²	69.4	16%	0.162	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	131.3	-179.9	-69.8	173.7	-178.8	176.7	1.1	110.3	V566 T567 E669	V566-R671 WeakPolarHBondContact CA-O 3.43Å; T567-R671 PolarHBondContact N-O 3.08Å; E669-R671 PolarHBondContact O-N 2.81Å; E669-R671 IonicContact OE2-CZ 3.25Å; E669-R671 VanDerWaalsContact OE2-CZ 3.24Å; E669-R671 IonicContact OE2-NE 3.62Å; E669-R671 PolarHBondContact OE2-NE 3.14Å; E669-R671 IonicContact OE2-NH2 2.65Å; E669-R671 PolarHBondContact OE2-NH2 3.44Å
672	Y	80.4	Confident	63.5	Low	4 Å²	4	64.1 Å²	64.1	2%	0.016	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	130.3	-180	-58.4	-42.3	0	0	0	110.6	V564 V566 V683 Y684 R687 L693	V564-Y672 HydrophobicContact CG1-CD1 4.05Å; V564-Y672 HydrophobicContact CG1-CG 4.09Å; V566-Y672 HydrophobicContact CG1-CD1 4.37Å; V566-Y672 HydrophobicContact CG1-CE1 4.23Å; V566-Y672 HydrophobicContact CG2-CD1 4.04Å; V566-Y672 HydrophobicContact CG2-CE1 3.97Å; Y672-V683 HydrophobicContact CD1-CG1 4.28Å; Y672-V683 HydrophobicContact CD2-CB 4.27Å; Y672-V683 HydrophobicContact CD2-CG1 3.76Å; Y672-V683 HydrophobicContact CE1-CG1 4.12Å; Y672-V683 HydrophobicContact CE2-CB 4.43Å; Y672-V683 HydrophobicContact CE2-CG1 3.57Å; Y672-V683 HydrophobicContact CG-CG1 4.12Å; Y672-Y684 AromaticContact CD2-CD1 3.59Å; Y672-Y684 HydrophobicContact CD2-CD1 3.59Å; Y672-Y684 HydrophobicContact CD2-CD2 4.24Å; Y672-Y684 AromaticContact CD2-CE1 3.42Å; Y672-Y684 HydrophobicContact CD2-CE1 3.42Å; Y672-Y684 VanDerWaalsContact CD2-CE1 3.42Å; Y672-Y684 HydrophobicContact CD2-CE2 4.11Å; Y672-Y684 AromaticContact CD2-CG 3.99Å; Y672-Y684 HydrophobicContact CD2-CG 3.99Å; Y672-Y684 AromaticContact CD2-CZ 3.69Å; Y672-Y684 AromaticContact CE2-CD1 3.9Å; Y672-Y684 HydrophobicContact CE2-CD1 3.9Å; Y672-Y684 AromaticContact CE2-CE1 3.98Å; Y672-Y684 HydrophobicContact CE2-CE1 3.98Å; Y672-Y684 HydrophobicContact CE2-CG 4.48Å; Y672-Y684 HydrophobicContact CG-CE1 4.27Å; Y672-Y684 PolarHBondContact N-OH 3.3Å; Y672-R687 HydrophobicContact CE2-CB 4.43Å; Y672-L693 HydrophobicContact CE1-CB 4.02Å; Y672-L693 VanDerWaalsContact CE1-O 3.31Å; Y672-L693 WeakPolarHBondContact CE1-O 3.4Å; Y672-L693 PolarHBondContact OH-N 2.73Å; Y672-L693 PolarHBondContact OH-O 2.91Å
673	E	75.4	Confident	66.7	Low	24 Å²	24	58.3 Å²	58.3	11%	0.112	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	146	171.9	-68	179	142.6	0	0	109.7	L189 N254 V564 V565 T567 R573	L189-E673 HydrophobicContact CD1-CB 3.94Å; N254-E673 PolarHBondContact ND2-OE2 3.01Å; V564-E673 WeakPolarHBondContact CA-O 3.31Å; V565-E673 PolarHBondContact N-O 3.17Å; V565-E673 PolarHBondContact O-N 2.72Å; T567-E673 VanDerWaalsContact CG2-OE2 3.28Å; T567-E673 WeakPolarHBondContact CG2-OE2 3.25Å; R573-E673 IonicContact CZ-OE1 3.26Å; R573-E673 IonicContact NE-OE1 2.96Å; R573-E673 PolarHBondContact NE-OE1 2.85Å; R573-E673 IonicContact NH2-OE1 3.19Å; R573-E673 PolarHBondContact NH2-OE1 3.08Å; R573-E673 IonicContact NH2-OE2 2.75Å; R573-E673 PolarHBondContact NH2-OE2 3.08Å
674	A	77.2	Confident	69.7	Low	7 Å²	7	51.2 Å²	51.2	6%	0.058	27%	0.269	C	S	.	.			trans	-142.4	163.6	-167	0	0	0	0	0	113.6	L189 V564 S676 E679 A680	L189-A674 PolarHBondContact N-O 2.86Å; V564-A674 HydrophobicContact CG2-CB 3.97Å; A674-S676 VanDerWaalsContact CB-O 3.26Å; A674-S676 WeakPolarHBondContact CB-O 3.24Å; A674-E679 HydrophobicContact CB-CB 4.31Å; A674-A680 HydrophobicContact CB-CB 4.13Å
675	E	73.8	Confident	72.7	Confident	72 Å²	72	42.7 Å²	42.7	34%	0.336	23%	0.229	S	C	.	.	S	Bend	trans	-81.3	-15.7	167.3	-173.4	165.7	-150.2	0	0	112.7	N188 L189 K190	N188-E675 WeakPolarHBondContact CB-O 3.27Å; N188-E675 PolarHBondContact ND2-O 2.96Å; N188-E675 PolarHBondContact OD1-O 2.85Å; L189-E675 WeakPolarHBondContact O-CA 3.45Å; L189-E675 WeakPolarHBondContact O-CB 3.18Å; K190-E675 HydrophobicContact CG-CG 4.36Å
676	S	76.6	Confident	75.7	Confident	32 Å²	32	37.1 Å²	37.1	22%	0.224	19%	0.193	C	C	.	.	S	Bend	trans	-146.9	141.4	170	166.5	0	0	0	0	111	A674 D678 E679	A674-S676 VanDerWaalsContact CB-O 3.26Å; A674-S676 WeakPolarHBondContact CB-O 3.24Å; S676-D678 PolarHBondContact O-N 3.18Å; S676-D678 PolarHBondContact OG-N 2.87Å; S676-D678 PolarHBondContact OG-OD2 2.8Å; S676-E679 PolarHBondContact O-N 2.59Å
677	P	77.1	Confident	78.4	Confident	4 Å²	4	32.4 Å²	32.4	3%	0.026	17%	0.168	C	C	.	.	H	α-helix	trans	-63.7	-22.9	175.7	27.7	-36.2	0	0	0	113.3	M420 F506 E679 A680 A681	M420-P677 HydrophobicContact CB-CB 4.47Å; M420-P677 HydrophobicContact CE-CG 4.11Å; M420-P677 HydrophobicContact CG-CB 3.76Å; M420-P677 HydrophobicContact CG-CG 3.98Å; F506-P677 HydrophobicContact CD1-CB 3.66Å; F506-P677 HydrophobicContact CD1-CG 4.23Å; F506-P677 HydrophobicContact CE1-CB 3.95Å; F506-P677 HydrophobicContact CE1-CG 4Å; F506-P677 HydrophobicContact CG-CB 4.13Å; P677-E679 PolarHBondContact O-N 2.82Å; P677-A680 PolarHBondContact O-N 3.4Å; P677-A681 WeakPolarHBondContact O-CB 3.39Å; P677-A681 PolarHBondContact O-N 3.33Å
678	D	82.1	Confident	80.7	Confident	34 Å²	34	25 Å²	25	18%	0.182	14%	0.138	C	C	.	.	H	α-helix	trans	-58.4	-35.1	171.3	-61.1	-53.9	0	0	0	110.8	S676 L682 R789	S676-D678 PolarHBondContact O-N 3.18Å; S676-D678 PolarHBondContact OG-N 2.87Å; S676-D678 PolarHBondContact OG-OD2 2.8Å; D678-L682 WeakPolarHBondContact O-CD1 3.23Å; D678-L682 WeakPolarHBondContact O-CG 3.35Å; D678-L682 PolarHBondContact O-N 3.23Å; D678-R789 VanDerWaalsContact OD1-CD 3.24Å; D678-R789 WeakPolarHBondContact OD1-CD 3.09Å; D678-R789 IonicContact OD1-CZ 3.56Å; D678-R789 IonicContact OD1-NE 3.84Å; D678-R789 IonicContact OD1-NH1 3.64Å; D678-R789 PolarHBondContact OD1-NH1 3.42Å; D678-R789 IonicContact OD2-NH1 2.63Å; D678-R789 PolarHBondContact OD2-NH1 2.9Å
679	E	86.4	Confident	82.4	Confident	16 Å²	16	22.5 Å²	22.5	8%	0.075	11%	0.113	C	C	.	.	H	α-helix	trans	-76.4	-41.8	179.5	-48	-147.3	147.9	0	0	112.1	N562 T563 V564 A674 S676 P677 A681 L682 V683 M728 K745	N562-E679 WeakPolarHBondContact CA-OE2 3.49Å; N562-E679 HydrophobicContact CB-CB 4.38Å; N562-E679 WeakPolarHBondContact CB-OE2 3.45Å; T563-E679 PolarHBondContact N-OE2 3.47Å; V564-E679 HydrophobicContact CG2-CB 3.96Å; A674-E679 HydrophobicContact CB-CB 4.31Å; S676-E679 PolarHBondContact O-N 2.59Å; P677-E679 PolarHBondContact O-N 2.82Å; E679-A681 PolarHBondContact O-N 2.91Å; E679-L682 PolarHBondContact O-N 3.45Å; E679-V683 WeakPolarHBondContact O-CG2 3.48Å; E679-V683 PolarHBondContact O-N 3.18Å; E679-V683 VanDerWaalsContact O-N 3.08Å; E679-M728 WeakPolarHBondContact OE1-CE 3.41Å; E679-K745 VanDerWaalsContact OE1-CE 3.23Å; E679-K745 WeakPolarHBondContact OE1-CE 3.49Å; E679-K745 IonicContact OE1-NZ 2.71Å; E679-K745 PolarHBondContact OE1-NZ 2.91Å; E679-K745 IonicContact OE2-NZ 3.19Å; E679-K745 PolarHBondContact OE2-NZ 2.79Å
680	A	84.6	Confident	83.5	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59	-48.2	177.2	0	0	0	0	0	111	A674 P677 L682 V683 Y684	A674-A680 HydrophobicContact CB-CB 4.13Å; P677-A680 PolarHBondContact O-N 3.4Å; A680-L682 VanDerWaalsContact C-N 3.3Å; A680-L682 PolarHBondContact O-N 2.98Å; A680-V683 PolarHBondContact O-N 2.85Å; A680-V683 VanDerWaalsContact O-N 3.16Å; A680-Y684 HydrophobicContact CB-CD2 4.49Å; A680-Y684 HydrophobicContact CB-CE2 4.38Å; A680-Y684 WeakPolarHBondContact O-CD2 3.23Å; A680-Y684 PolarHBondContact O-N 2.93Å
681	A	86.8	Confident	84.3	Confident	3 Å²	3	22.4 Å²	22.4	3%	0.025	11%	0.109	C	C	.	.	H	α-helix	trans	-60.2	-36.5	178	0	0	0	0	0	113.1	M420 P677 E679 A685	M420-A681 HydrophobicContact CB-CB 3.74Å; M420-A681 WeakPolarHBondContact O-CB 3.16Å; P677-A681 WeakPolarHBondContact O-CB 3.39Å; P677-A681 PolarHBondContact O-N 3.33Å; E679-A681 PolarHBondContact O-N 2.91Å; A681-A685 VanDerWaalsContact O-CB 3.25Å; A681-A685 WeakPolarHBondContact O-CB 3.18Å; A681-A685 PolarHBondContact O-N 3.45Å
682	L	91.3	Very high	85	Confident	6 Å²	6	21.3 Å²	21.3	3%	0.031	11%	0.108	C	C	.	.	H	α-helix	trans	-70	-35.1	176.3	-69.7	172.2	0	0	0	112.8	F422 L558 D678 E679 A680 A686 L791 T841 V843	F422-L682 HydrophobicContact CD2-CD2 4.03Å; F422-L682 HydrophobicContact CE2-CD2 3.85Å; L558-L682 HydrophobicContact CD2-CB 3.95Å; L558-L682 HydrophobicContact CD2-CD1 4.43Å; L558-L682 HydrophobicContact CD2-CD2 3.69Å; L558-L682 HydrophobicContact CD2-CG 4.22Å; D678-L682 WeakPolarHBondContact O-CD1 3.23Å; D678-L682 WeakPolarHBondContact O-CG 3.35Å; D678-L682 PolarHBondContact O-N 3.23Å; E679-L682 PolarHBondContact O-N 3.45Å; A680-L682 VanDerWaalsContact C-N 3.3Å; A680-L682 PolarHBondContact O-N 2.98Å; L682-A686 PolarHBondContact O-N 3.34Å; L682-L791 HydrophobicContact CD1-CD1 4Å; L682-T841 HydrophobicContact CD2-CG2 3.85Å; L682-V843 HydrophobicContact CD2-CG2 4.15Å
683	V	91.1	Very high	85.4	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-77.4	-37.8	176.7	-178	0	0	0	0	111.7	N562 V564 Y672 E679 A680 A685 A686 R687 L693	N562-V683 WeakPolarHBondContact ND2-CG2 3.42Å; V564-V683 HydrophobicContact CB-CG2 4.37Å; V564-V683 HydrophobicContact CG2-CG2 3.98Å; Y672-V683 HydrophobicContact CD1-CG1 4.28Å; Y672-V683 HydrophobicContact CD2-CB 4.27Å; Y672-V683 HydrophobicContact CD2-CG1 3.76Å; Y672-V683 HydrophobicContact CE1-CG1 4.12Å; Y672-V683 HydrophobicContact CE2-CB 4.43Å; Y672-V683 HydrophobicContact CE2-CG1 3.57Å; Y672-V683 HydrophobicContact CG-CG1 4.12Å; E679-V683 WeakPolarHBondContact O-CG2 3.48Å; E679-V683 PolarHBondContact O-N 3.18Å; E679-V683 VanDerWaalsContact O-N 3.08Å; A680-V683 PolarHBondContact O-N 2.85Å; A680-V683 VanDerWaalsContact O-N 3.16Å; V683-A685 VanDerWaalsContact C-N 3.31Å; V683-A685 PolarHBondContact O-N 3.18Å; V683-A686 PolarHBondContact O-N 3.37Å; V683-R687 PolarHBondContact O-N 3.37Å; V683-L693 HydrophobicContact CG1-CB 3.88Å; V683-L693 HydrophobicContact CG1-CD2 4.23Å
684	Y	89	Confident	86	Confident	6 Å²	6	21.5 Å²	21.5	2%	0.024	11%	0.111	C	C	.	.	H	α-helix	trans	-62.3	-38.9	169.1	-74.2	-63.7	0	0	0	111.6	E511 K512 Y672 A680 R687 A688	E511-Y684 WeakPolarHBondContact O-CB 3.24Å; K512-Y684 HydrophobicContact CG-CD1 4.24Å; K512-Y684 HydrophobicContact CG-CE1 3.83Å; Y672-Y684 AromaticContact CD2-CD1 3.59Å; Y672-Y684 HydrophobicContact CD2-CD1 3.59Å; Y672-Y684 HydrophobicContact CD2-CD2 4.24Å; Y672-Y684 AromaticContact CD2-CE1 3.42Å; Y672-Y684 HydrophobicContact CD2-CE1 3.42Å; Y672-Y684 VanDerWaalsContact CD2-CE1 3.42Å; Y672-Y684 HydrophobicContact CD2-CE2 4.11Å; Y672-Y684 AromaticContact CD2-CG 3.99Å; Y672-Y684 HydrophobicContact CD2-CG 3.99Å; Y672-Y684 AromaticContact CD2-CZ 3.69Å; Y672-Y684 AromaticContact CE2-CD1 3.9Å; Y672-Y684 HydrophobicContact CE2-CD1 3.9Å; Y672-Y684 AromaticContact CE2-CE1 3.98Å; Y672-Y684 HydrophobicContact CE2-CE1 3.98Å; Y672-Y684 HydrophobicContact CE2-CG 4.48Å; Y672-Y684 HydrophobicContact CG-CE1 4.27Å; Y672-Y684 PolarHBondContact N-OH 3.3Å; A680-Y684 HydrophobicContact CB-CD2 4.49Å; A680-Y684 HydrophobicContact CB-CE2 4.38Å; A680-Y684 WeakPolarHBondContact O-CD2 3.23Å; A680-Y684 PolarHBondContact O-N 2.93Å; Y684-R687 WeakPolarHBondContact O-CB 2.81Å; Y684-R687 PolarHBondContact O-N 2.98Å; Y684-A688 PolarHBondContact O-N 3.15Å; Y684-A688 VanDerWaalsContact O-N 3.12Å
685	A	89.9	Confident	86.3	Confident	1 Å²	1	21.7 Å²	21.7	1%	0.008	11%	0.114	C	C	.	.	H	α-helix	trans	-63.1	-42.1	173.8	0	0	0	0	0	112.8	F422 V514 A681 V683 A688 Y689	F422-A685 HydrophobicContact CB-CB 3.86Å; F422-A685 HydrophobicContact CD1-CB 4Å; F422-A685 HydrophobicContact CD2-CB 3.41Å; F422-A685 VanDerWaalsContact CD2-CB 3.41Å; F422-A685 HydrophobicContact CE1-CB 4.34Å; F422-A685 HydrophobicContact CE2-CB 3.8Å; F422-A685 HydrophobicContact CG-CB 3.5Å; F422-A685 HydrophobicContact CZ-CB 4.24Å; V514-A685 HydrophobicContact CG1-CB 4.25Å; A681-A685 VanDerWaalsContact O-CB 3.25Å; A681-A685 WeakPolarHBondContact O-CB 3.18Å; A681-A685 PolarHBondContact O-N 3.45Å; V683-A685 VanDerWaalsContact C-N 3.31Å; V683-A685 PolarHBondContact O-N 3.18Å; A685-A688 WeakPolarHBondContact O-CB 3.47Å; A685-A688 PolarHBondContact O-N 3.39Å; A685-Y689 WeakPolarHBondContact O-CD2 3.2Å
686	A	91.4	Very high	86.7	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64.2	-39.9	174.8	0	0	0	0	0	112.6	F555 L558 T559 L682 V683 A688 Y689 C691	F555-A686 HydrophobicContact CD1-CB 4.28Å; L558-A686 HydrophobicContact CB-CB 4.04Å; T559-A686 HydrophobicContact CG2-CB 3.59Å; L682-A686 PolarHBondContact O-N 3.34Å; V683-A686 PolarHBondContact O-N 3.37Å; A686-A688 VanDerWaalsContact C-N 3.26Å; A686-A688 PolarHBondContact O-N 3.05Å; A686-Y689 CarbonylContact O-C 3.48Å; A686-Y689 WeakPolarHBondContact O-CA 3.08Å; A686-Y689 PolarHBondContact O-N 3.06Å; A686-C691 CarbonylContact C-O 3.55Å; A686-C691 HydrophobicContact CB-CB 4.35Å; A686-C691 PolarHBondContact O-N 3.05Å
687	R	89.4	Confident	86.7	Confident	79 Å²	79	22 Å²	22	30%	0.298	11%	0.111	S	C	.	.	H	α-helix	trans	-58.6	-35.9	174.7	-179.9	177.8	179.5	179.5	-0.3	112.4	L670 Y672 V683 Y684 Y689 K690 C691	L670-R687 PolarHBondContact O-NH1 2.92Å; Y672-R687 HydrophobicContact CE2-CB 4.43Å; V683-R687 PolarHBondContact O-N 3.37Å; Y684-R687 WeakPolarHBondContact O-CB 2.81Å; Y684-R687 PolarHBondContact O-N 2.98Å; R687-Y689 PolarHBondContact O-N 2.91Å; R687-K690 WeakPolarHBondContact O-CA 3.33Å; R687-K690 PolarHBondContact O-N 3.05Å; R687-C691 WeakPolarHBondContact CA-O 3.5Å; R687-C691 PolarHBondContact N-O 3.35Å
688	A	87.6	Confident	86.3	Confident	27 Å²	27	24.8 Å²	24.8	22%	0.223	13%	0.13	C	C	.	.	H	α-helix	trans	-63.6	-25	175.3	0	0	0	0	0	113.8	V514 Y684 A685 A686 K690	V514-A688 HydrophobicContact CB-CB 3.95Å; V514-A688 HydrophobicContact CG1-CB 4.04Å; V514-A688 WeakPolarHBondContact O-CB 3.29Å; Y684-A688 PolarHBondContact O-N 3.15Å; Y684-A688 VanDerWaalsContact O-N 3.12Å; A685-A688 WeakPolarHBondContact O-CB 3.47Å; A685-A688 PolarHBondContact O-N 3.39Å; A686-A688 VanDerWaalsContact C-N 3.26Å; A686-A688 PolarHBondContact O-N 3.05Å; A688-K690 VanDerWaalsContact C-N 3.3Å
689	Y	88.9	Confident	86.2	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	15.9	170.8	-71.2	-85.9	0	0	0	113.3	H434 P516 D517 L520 L521 V524 F555 A685 A686 R687 C691	H434-Y689 PolarHBondContact NE2-OH 2.8Å; P516-Y689 HydrophobicContact CB-CD1 3.98Å; P516-Y689 HydrophobicContact CB-CD2 4.29Å; P516-Y689 HydrophobicContact CB-CE1 3.56Å; P516-Y689 HydrophobicContact CB-CE2 3.92Å; P516-Y689 HydrophobicContact CB-CG 4.33Å; D517-Y689 PolarHBondContact N-OH 3.27Å; L520-Y689 HydrophobicContact CB-CE1 3.81Å; L520-Y689 HydrophobicContact CD2-CE1 4.05Å; L520-Y689 HydrophobicContact CG-CD1 4.4Å; L520-Y689 HydrophobicContact CG-CE1 3.72Å; L521-Y689 HydrophobicContact CB-CD1 4.13Å; L521-Y689 HydrophobicContact CB-CE1 4.03Å; L521-Y689 HydrophobicContact CD1-CD1 3.94Å; V524-Y689 HydrophobicContact CG2-CD1 4.32Å; F555-Y689 HydrophobicContact CD1-CD2 4.44Å; F555-Y689 HydrophobicContact CD1-CG 4.49Å; F555-Y689 HydrophobicContact CE1-CD1 4.43Å; F555-Y689 AromaticContact CE1-CD2 3.34Å; F555-Y689 HydrophobicContact CE1-CD2 3.34Å; F555-Y689 HydrophobicContact CE1-CE2 4.01Å; F555-Y689 AromaticContact CE1-CG 3.59Å; F555-Y689 HydrophobicContact CE1-CG 3.59Å; F555-Y689 HydrophobicContact CE2-CD1 4.45Å; F555-Y689 HydrophobicContact CE2-CG 4.3Å; F555-Y689 AromaticContact CZ-CD1 3.85Å; F555-Y689 HydrophobicContact CZ-CD1 3.85Å; F555-Y689 AromaticContact CZ-CD2 3.49Å; F555-Y689 HydrophobicContact CZ-CD2 3.49Å; F555-Y689 VanDerWaalsContact CZ-CD2 3.49Å; F555-Y689 HydrophobicContact CZ-CE1 4.22Å; F555-Y689 AromaticContact CZ-CE2 3.89Å; F555-Y689 HydrophobicContact CZ-CE2 3.89Å; F555-Y689 AromaticContact CZ-CG 3.46Å; F555-Y689 HydrophobicContact CZ-CG 3.46Å; F555-Y689 VanDerWaalsContact CZ-CG 3.46Å; A685-Y689 WeakPolarHBondContact O-CD2 3.2Å; A686-Y689 CarbonylContact O-C 3.48Å; A686-Y689 WeakPolarHBondContact O-CA 3.08Å; A686-Y689 PolarHBondContact O-N 3.06Å; R687-Y689 PolarHBondContact O-N 2.91Å; Y689-C691 PolarHBondContact O-N 3.44Å
690	K	87.1	Confident	86.2	Confident	113 Å²	113	29.7 Å²	29.7	49%	0.491	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	19.1	-175.4	-49.9	174.6	-176.5	169.6	0	114.8	R687 A688 P706	R687-K690 WeakPolarHBondContact O-CA 3.33Å; R687-K690 PolarHBondContact O-N 3.05Å; A688-K690 VanDerWaalsContact C-N 3.3Å; K690-P706 HydrophobicContact CB-CB 4.15Å; K690-P706 HydrophobicContact CB-CG 4.15Å; K690-P706 HydrophobicContact CD-CB 4.39Å; K690-P706 WeakPolarHBondContact O-CD 3.47Å
691	C	89.1	Confident	86.4	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.154	C	C	.	.			trans	-98.1	88.5	170.8	-64.2	0	0	0	0	108.2	F555 T559 A686 R687 Y689 E704 L705	F555-C691 HydrophobicContact CB-CB 4.18Å; T559-C691 HydrophobicContact CG2-CB 4.04Å; T559-C691 WeakPolarHBondContact CG2-O 3.28Å; A686-C691 CarbonylContact C-O 3.55Å; A686-C691 HydrophobicContact CB-CB 4.35Å; A686-C691 PolarHBondContact O-N 3.05Å; R687-C691 WeakPolarHBondContact CA-O 3.5Å; R687-C691 PolarHBondContact N-O 3.35Å; Y689-C691 PolarHBondContact O-N 3.44Å; C691-E704 CarbonylContact C-O 3.57Å; C691-E704 WeakPolarHBondContact CA-O 3.37Å; C691-L705 HydrophobicContact CB-CD2 4.12Å
692	S	89.6	Confident	86.5	Confident	20 Å²	20	33.2 Å²	33.2	14%	0.14	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	132.8	-171.4	-60.8	0	0	0	0	111.9	V694 V703 E704	S692-V694 PolarHBondContact O-N 3.21Å; S692-V703 CarbonylContact O-C 3.59Å; S692-V703 WeakPolarHBondContact O-CA 3.34Å; S692-E704 PolarHBondContact N-O 3.08Å; S692-E704 PolarHBondContact O-N 3.42Å
693	L	89.7	Confident	86.4	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	114.6	164.4	179.7	64.1	0	0	0	108	V564 V566 Y672 V683 V701	V564-L693 HydrophobicContact CB-CD2 4.13Å; V564-L693 HydrophobicContact CG1-CD2 3.91Å; V566-L693 HydrophobicContact CG2-CD2 3.93Å; V566-L693 HydrophobicContact CG2-CG 3.75Å; Y672-L693 HydrophobicContact CE1-CB 4.02Å; Y672-L693 VanDerWaalsContact CE1-O 3.31Å; Y672-L693 WeakPolarHBondContact CE1-O 3.4Å; Y672-L693 PolarHBondContact OH-N 2.73Å; Y672-L693 PolarHBondContact OH-O 2.91Å; V683-L693 HydrophobicContact CG1-CB 3.88Å; V683-L693 HydrophobicContact CG1-CD2 4.23Å; L693-V701 HydrophobicContact CD1-CG1 3.47Å; L693-V701 VanDerWaalsContact CD1-CG1 3.47Å
694	V	87.4	Confident	86.4	Confident	31 Å²	31	35.8 Å²	35.8	19%	0.188	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-35.1	-176.7	-178.6	0	0	0	0	111.3	S692 M702 E704 K710	S692-V694 PolarHBondContact O-N 3.21Å; V694-M702 HydrophobicContact CB-CB 4.25Å; V694-M702 PolarHBondContact N-O 2.9Å; V694-E704 HydrophobicContact CG2-CB 3.6Å; V694-K710 HydrophobicContact CG1-CD 4.5Å
695	G	83.3	Confident	86.2	Confident	11 Å²	11	35.9 Å²	35.9	11%	0.113	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.3	160.6	177.7	0	0	0	0	0	111.6	M702	G695-M702 PolarHBondContact N-O 3.3Å; G695-M702 PolarHBondContact O-N 3.4Å
696	R	82	Confident	85.7	Confident	46 Å²	46	36.1 Å²	36.1	17%	0.174	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	133.1	-178.3	-170.3	175.4	-165.3	108.2	12.4	109.6	I560 N562 V564 V701	I560-R696 PolarHBondContact O-NH1 3.38Å; I560-R696 PolarHBondContact O-NH2 3.32Å; N562-R696 PolarHBondContact O-NH1 3.29Å; N562-R696 PolarHBondContact O-NH2 3.29Å; N562-R696 VanDerWaalsContact O-NH2 3.16Å; N562-R696 PolarHBondContact OD1-NH1 3.14Å; V564-R696 WeakPolarHBondContact O-CD 3.39Å; R696-V701 HydrophobicContact CG-CG2 4.28Å
697	L	76.3	Confident	84.8	Confident	65 Å²	65	41.8 Å²	41.8	34%	0.34	21%	0.211	S	C	.	.			trans	-125.6	177.1	171.7	-61.6	174.1	0	0	0	107.3	Q700	L697-Q700 CarbonylContact C-O 3.48Å; L697-Q700 WeakPolarHBondContact CA-O 3.29Å; L697-Q700 HydrophobicContact CB-CB 4.32Å; L697-Q700 WeakPolarHBondContact CB-O 3.45Å; L697-Q700 HydrophobicContact CD1-CB 4.44Å; L697-Q700 PolarHBondContact N-O 3.04Å; L697-Q700 VanDerWaalsContact O-O 3.13Å
698	P	69.2	Low	84.1	Confident	63 Å²	63	38.6 Å²	38.6	41%	0.409	20%	0.2	S	C	.	.	S	Bend	trans	-79.4	-30.8	-175.7	-12	30.8	0	0	0	112	D173 L715	D173-P698 HydrophobicContact CB-CG 3.44Å; D173-P698 VanDerWaalsContact CB-CG 3.44Å; D173-P698 WeakPolarHBondContact OD1-CD 3.34Å; D173-P698 VanDerWaalsContact OD2-CD 3.29Å; D173-P698 WeakPolarHBondContact OD2-CD 3.16Å; D173-P698 WeakPolarHBondContact OD2-CG 3.09Å; P698-L715 WeakPolarHBondContact O-CB 3.37Å; P698-L715 WeakPolarHBondContact O-CD2 3.42Å; P698-L715 WeakPolarHBondContact O-CG 3.12Å
699	D	79.7	Confident	83.9	Confident	76 Å²	76	38.6 Å²	38.6	41%	0.406	20%	0.202	S	C	.	.	S	Bend	trans	-100.7	-13.5	-178.9	73.2	-41.6	0	0	0	112.5	E714 L715	D699-E714 CarbonylContact O-C 3.55Å; D699-E714 VanDerWaalsContact O-CA 3.28Å; D699-E714 WeakPolarHBondContact O-CA 3.31Å; D699-L715 PolarHBondContact O-N 3.4Å
700	Q	86.6	Confident	83.8	Confident	77 Å²	77	44.8 Å²	44.8	36%	0.36	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	137.4	-171.7	-75.9	173.6	74.5	0	0	113.3	L697 T712 F713	L697-Q700 CarbonylContact C-O 3.48Å; L697-Q700 WeakPolarHBondContact CA-O 3.29Å; L697-Q700 HydrophobicContact CB-CB 4.32Å; L697-Q700 WeakPolarHBondContact CB-O 3.45Å; L697-Q700 HydrophobicContact CD1-CB 4.44Å; L697-Q700 PolarHBondContact N-O 3.04Å; L697-Q700 VanDerWaalsContact O-O 3.13Å; Q700-T712 HydrophobicContact CB-CG2 3.88Å; Q700-T712 HydrophobicContact CG-CG2 3.94Å; Q700-T712 VanDerWaalsContact OE1-CG2 3.28Å; Q700-F713 CarbonylContact C-O 3.52Å; Q700-F713 VanDerWaalsContact CA-O 3.28Å; Q700-F713 WeakPolarHBondContact CA-O 3.49Å
701	V	89.2	Confident	83.8	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	122.1	171.7	-169	0	0	0	0	109.9	I560 L693 R696 V703 F713 L715	I560-V701 HydrophobicContact CG1-CG1 4.23Å; I560-V701 HydrophobicContact CG2-CB 4.39Å; I560-V701 HydrophobicContact CG2-CG1 4.43Å; I560-V701 HydrophobicContact CG2-CG2 4.15Å; L693-V701 HydrophobicContact CD1-CG1 3.47Å; L693-V701 VanDerWaalsContact CD1-CG1 3.47Å; R696-V701 HydrophobicContact CG-CG2 4.28Å; V701-V703 HydrophobicContact CG1-CG2 4.16Å; V701-F713 PolarHBondContact N-O 2.83Å; V701-F713 PolarHBondContact O-N 2.94Å; V701-L715 HydrophobicContact CG2-CB 4.15Å; V701-L715 HydrophobicContact CG2-CD2 3.9Å; V701-L715 HydrophobicContact CG2-CG 4.46Å
702	M	88.6	Confident	83.9	Confident	76 Å²	76	42.6 Å²	42.6	37%	0.374	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	114.7	178.6	-69.9	-176.5	-75.3	0	0	110.4	V694 G695 L711 T712	V694-M702 HydrophobicContact CB-CB 4.25Å; V694-M702 PolarHBondContact N-O 2.9Å; G695-M702 PolarHBondContact N-O 3.3Å; G695-M702 PolarHBondContact O-N 3.4Å; M702-L711 WeakPolarHBondContact CA-O 3.48Å; M702-T712 HydrophobicContact CG-CG2 3.98Å
703	V	90.5	Very high	84	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	132.2	178.4	-176.5	0	0	0	0	109.4	T559 I560 S692 V701 L705 L711 F713	T559-V703 HydrophobicContact CG2-CG1 4.22Å; I560-V703 HydrophobicContact CD1-CG2 3.92Å; I560-V703 HydrophobicContact CG1-CG2 3.64Å; S692-V703 CarbonylContact O-C 3.59Å; S692-V703 WeakPolarHBondContact O-CA 3.34Å; V701-V703 HydrophobicContact CG1-CG2 4.16Å; V703-L705 HydrophobicContact CG1-CD2 3.85Å; V703-L705 HydrophobicContact CG1-CG 4.21Å; V703-L711 PolarHBondContact N-O 2.95Å; V703-L711 PolarHBondContact O-N 3.37Å; V703-F713 HydrophobicContact CB-CE2 4.25Å; V703-F713 HydrophobicContact CG2-CD2 4.36Å; V703-F713 HydrophobicContact CG2-CE2 4.43Å
704	E	89.4	Confident	84.1	Confident	60 Å²	60	45.1 Å²	45.1	28%	0.28	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	122.1	171.8	-174.7	148.4	-132.7	0	0	109.3	C691 S692 V694 K710	C691-E704 CarbonylContact C-O 3.57Å; C691-E704 WeakPolarHBondContact CA-O 3.37Å; S692-E704 PolarHBondContact N-O 3.08Å; S692-E704 PolarHBondContact O-N 3.42Å; V694-E704 HydrophobicContact CG2-CB 3.6Å; E704-K710 HydrophobicContact CB-CG 4.07Å; E704-K710 HydrophobicContact CG-CG 4.06Å; E704-K710 WeakPolarHBondContact OE1-CE 3.39Å; E704-K710 WeakPolarHBondContact OE1-CG 3.43Å; E704-K710 WeakPolarHBondContact OE2-CE 3.22Å; E704-K710 IonicContact OE2-NZ 2.83Å
705	L	85.9	Confident	84.2	Confident	8 Å²	8	44.2 Å²	44.2	4%	0.042	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	148.7	-178.7	-66.7	-179.2	0	0	0	110.8	I556 C691 V703 H707 L708 G709 L711	I556-L705 HydrophobicContact CD1-CD1 4.18Å; I556-L705 HydrophobicContact CG1-CD1 4.29Å; I556-L705 HydrophobicContact CG1-CD2 4.31Å; C691-L705 HydrophobicContact CB-CD2 4.12Å; V703-L705 HydrophobicContact CG1-CD2 3.85Å; V703-L705 HydrophobicContact CG1-CG 4.21Å; L705-H707 PolarHBondContact O-N 2.97Å; L705-L708 HydrophobicContact CB-CB 4.28Å; L705-L708 HydrophobicContact CD1-CD2 4.34Å; L705-L708 PolarHBondContact O-N 2.91Å; L705-G709 PolarHBondContact N-O 2.81Å; L705-G709 PolarHBondContact O-N 2.74Å; L705-G709 VanDerWaalsContact O-N 3.12Å; L705-L711 HydrophobicContact CD1-CD1 4Å
706	P	78.8	Confident	84.6	Confident	7 Å²	7	45 Å²	45	5%	0.045	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	134.9	-179.9	6.9	-7.3	0	0	0	110.6	V524 S528 K690 L708	V524-P706 HydrophobicContact CG1-CG 3.76Å; S528-P706 WeakPolarHBondContact CB-O 3.49Å; S528-P706 WeakPolarHBondContact OG-CG 3.46Å; S528-P706 PolarHBondContact OG-O 3.45Å; K690-P706 HydrophobicContact CB-CB 4.15Å; K690-P706 HydrophobicContact CB-CG 4.15Å; K690-P706 HydrophobicContact CD-CB 4.39Å; K690-P706 WeakPolarHBondContact O-CD 3.47Å; P706-L708 PolarHBondContact O-N 3.48Å
707	H	73.9	Confident	84.9	Confident	118 Å²	118	44.9 Å²	44.9	55%	0.546	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	-34	-176.9	-55.9	-75	0	0	0	116.5	D532 L705	D532-H707 HydrophobicContact CB-CB 4.49Å; L705-H707 PolarHBondContact O-N 2.97Å
708	L	74	Confident	85.5	Confident	13 Å²	13	44.3 Å²	44.3	7%	0.068	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-19.6	-177.1	-155.6	65.7	0	0	0	113.4	R535 L705 P706 L711 L736	R535-L708 PolarHBondContact NH1-O 2.97Å; L705-L708 HydrophobicContact CB-CB 4.28Å; L705-L708 HydrophobicContact CD1-CD2 4.34Å; L705-L708 PolarHBondContact O-N 2.91Å; P706-L708 PolarHBondContact O-N 3.48Å; L708-L711 HydrophobicContact CD2-CD1 3.85Å; L708-L736 HydrophobicContact CD2-CD1 4.02Å
709	G	82	Confident	86.5	Confident	26 Å²	26	42 Å²	42	27%	0.268	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	81.3	-157.9	177.8	0	0	0	0	0	113.6	L705	L705-G709 PolarHBondContact N-O 2.81Å; L705-G709 PolarHBondContact O-N 2.74Å; L705-G709 VanDerWaalsContact O-N 3.12Å
710	K	87.2	Confident	86.7	Confident	131 Å²	131	40.1 Å²	40.1	57%	0.57	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	123.7	179.9	-63.1	-177.4	-178.8	179.7	0	110.8	V694 E704	V694-K710 HydrophobicContact CG1-CD 4.5Å; E704-K710 HydrophobicContact CB-CG 4.07Å; E704-K710 HydrophobicContact CG-CG 4.06Å; E704-K710 WeakPolarHBondContact OE1-CE 3.39Å; E704-K710 WeakPolarHBondContact OE1-CG 3.43Å; E704-K710 WeakPolarHBondContact OE2-CE 3.22Å; E704-K710 IonicContact OE2-NZ 2.83Å
711	L	88.6	Confident	86.5	Confident	8 Å²	8	42.4 Å²	42.4	4%	0.042	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	138.4	172	-66.9	-172.2	0	0	0	110.1	M702 V703 L705 L708 F713 P735 L736	M702-L711 WeakPolarHBondContact CA-O 3.48Å; V703-L711 PolarHBondContact N-O 2.95Å; V703-L711 PolarHBondContact O-N 3.37Å; L705-L711 HydrophobicContact CD1-CD1 4Å; L708-L711 HydrophobicContact CD2-CD1 3.85Å; L711-F713 HydrophobicContact CB-CD2 4.36Å; L711-F713 HydrophobicContact CB-CE2 3.88Å; L711-F713 HydrophobicContact CD1-CE2 4.29Å; L711-F713 HydrophobicContact CD1-CZ 4.38Å; L711-P735 HydrophobicContact CB-CG 4.17Å; L711-P735 HydrophobicContact CD1-CG 4.35Å; L711-P735 HydrophobicContact CD2-CG 4.47Å; L711-L736 HydrophobicContact CD1-CD1 4.27Å; L711-L736 HydrophobicContact CD2-CD1 4.32Å; L711-L736 HydrophobicContact CD2-CD2 4.32Å; L711-L736 HydrophobicContact CD2-CG 4.34Å
712	T	90	Very high	85.7	Confident	58 Å²	58	45 Å²	45	36%	0.356	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	116.6	173.5	-47	0	0	0	0	109.4	Q700 M702 P735	Q700-T712 HydrophobicContact CB-CG2 3.88Å; Q700-T712 HydrophobicContact CG-CG2 3.94Å; Q700-T712 VanDerWaalsContact OE1-CG2 3.28Å; M702-T712 HydrophobicContact CG-CG2 3.98Å; T712-P735 WeakPolarHBondContact O-CB 3.42Å; T712-P735 WeakPolarHBondContact O-CG 3.31Å
713	F	91.7	Very high	84.7	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	128.3	176.4	-70.6	-105.8	0	0	0	109.5	I556 I560 Q700 V701 V703 L711 L715 V732 H734	I556-F713 HydrophobicContact CD1-CZ 4.16Å; I556-F713 HydrophobicContact CG1-CZ 4.48Å; I556-F713 HydrophobicContact CG2-CE1 4.07Å; I556-F713 HydrophobicContact CG2-CZ 4.07Å; I560-F713 HydrophobicContact CD1-CB 4.05Å; I560-F713 HydrophobicContact CD1-CD1 3.75Å; I560-F713 HydrophobicContact CD1-CD2 3.64Å; I560-F713 HydrophobicContact CD1-CE1 4.03Å; I560-F713 HydrophobicContact CD1-CE2 3.95Å; I560-F713 HydrophobicContact CD1-CG 3.54Å; I560-F713 HydrophobicContact CD1-CZ 4.14Å; Q700-F713 CarbonylContact C-O 3.52Å; Q700-F713 VanDerWaalsContact CA-O 3.28Å; Q700-F713 WeakPolarHBondContact CA-O 3.49Å; V701-F713 PolarHBondContact N-O 2.83Å; V701-F713 PolarHBondContact O-N 2.94Å; V703-F713 HydrophobicContact CB-CE2 4.25Å; V703-F713 HydrophobicContact CG2-CD2 4.36Å; V703-F713 HydrophobicContact CG2-CE2 4.43Å; L711-F713 HydrophobicContact CB-CD2 4.36Å; L711-F713 HydrophobicContact CB-CE2 3.88Å; L711-F713 HydrophobicContact CD1-CE2 4.29Å; L711-F713 HydrophobicContact CD1-CZ 4.38Å; F713-L715 PolarHBondContact O-N 2.92Å; F713-V732 HydrophobicContact CB-CB 4.41Å; F713-V732 HydrophobicContact CB-CG1 4.48Å; F713-V732 HydrophobicContact CD1-CG2 4.19Å; F713-H734 HydrophobicContact CE1-CB 4.38Å; F713-H734 AromaticContact CE1-CD2 3.51Å
714	E	92.5	Very high	83.8	Confident	74 Å²	74	50 Å²	50	35%	0.346	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	114.4	174.5	178.7	-171.3	161	0	0	109.2	D699 L716 V732 R733	D699-E714 CarbonylContact O-C 3.55Å; D699-E714 VanDerWaalsContact O-CA 3.28Å; D699-E714 WeakPolarHBondContact O-CA 3.31Å; E714-L716 HydrophobicContact CG-CD2 3.93Å; E714-L716 PolarHBondContact O-N 2.79Å; E714-L716 VanDerWaalsContact OE1-CD2 3.25Å; E714-L716 WeakPolarHBondContact OE1-CD2 3.1Å; E714-V732 CarbonylContact O-C 3.59Å; E714-V732 WeakPolarHBondContact O-CA 3.47Å; E714-R733 HydrophobicContact CB-CB 4.14Å; E714-R733 PolarHBondContact N-O 3.12Å; E714-R733 PolarHBondContact O-N 2.83Å; E714-R733 IonicContact OE1-CZ 2.7Å; E714-R733 IonicContact OE1-NH1 3.66Å; E714-R733 PolarHBondContact OE1-NH1 3.14Å; E714-R733 IonicContact OE1-NH2 2.74Å; E714-R733 PolarHBondContact OE1-NH2 2.87Å; E714-R733 WeakPolarHBondContact OE2-CD 3.43Å; E714-R733 IonicContact OE2-CZ 3.72Å; E714-R733 VanDerWaalsContact OE2-CZ 3.25Å; E714-R733 IonicContact OE2-NE 2.77Å; E714-R733 IonicContact OE2-NH1 2.62Å; E714-R733 PolarHBondContact OE2-NH1 2.72Å
715	L	89.8	Confident	83.5	Confident	11 Å²	11	47.6 Å²	47.6	6%	0.058	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	101.9	178.7	-175.5	57.7	0	0	0	109.8	P698 D699 V701 F713 V730 V732	P698-L715 WeakPolarHBondContact O-CB 3.37Å; P698-L715 WeakPolarHBondContact O-CD2 3.42Å; P698-L715 WeakPolarHBondContact O-CG 3.12Å; D699-L715 PolarHBondContact O-N 3.4Å; V701-L715 HydrophobicContact CG2-CB 4.15Å; V701-L715 HydrophobicContact CG2-CD2 3.9Å; V701-L715 HydrophobicContact CG2-CG 4.46Å; F713-L715 PolarHBondContact O-N 2.92Å; L715-V730 HydrophobicContact CD1-CB 4.09Å; L715-V730 HydrophobicContact CD1-CG1 4.43Å; L715-V732 HydrophobicContact CD1-CG1 3.82Å
716	L	90.4	Very high	83.4	Confident	29 Å²	29	51.3 Å²	51.3	15%	0.152	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	-33.2	-174.4	-62.7	175	0	0	0	112.8	E714 V731 R733 I740 Y803	E714-L716 HydrophobicContact CG-CD2 3.93Å; E714-L716 PolarHBondContact O-N 2.79Å; E714-L716 VanDerWaalsContact OE1-CD2 3.25Å; E714-L716 WeakPolarHBondContact OE1-CD2 3.1Å; L716-V731 HydrophobicContact CB-CB 4.34Å; L716-V731 HydrophobicContact CB-CG1 4.21Å; L716-V731 HydrophobicContact CD1-CG1 4.31Å; L716-V731 PolarHBondContact N-O 2.99Å; L716-R733 HydrophobicContact CD1-CB 4.2Å; L716-I740 HydrophobicContact CD1-CB 4.47Å; L716-I740 HydrophobicContact CD1-CD1 3.9Å; L716-I740 HydrophobicContact CD1-CG1 3.86Å; L716-I740 HydrophobicContact CD1-CG2 3.93Å; L716-Y803 HydrophobicContact CB-CE1 4.23Å; L716-Y803 HydrophobicContact CB-CE2 4.36Å; L716-Y803 HydrophobicContact CD1-CD1 4.39Å; L716-Y803 HydrophobicContact CD1-CE1 4.15Å; L716-Y803 PolarHBondContact O-OH 2.65Å; L716-Y803 VanDerWaalsContact O-OH 3.11Å
717	H	89.6	Confident	83.9	Confident	43 Å²	43	51.5 Å²	51.5	20%	0.199	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	150	176.3	-152.1	81.3	0	0	0	112.3	V731 W806 H810 E814	H717-V731 HydrophobicContact CB-CB 4.23Å; H717-V731 HydrophobicContact CB-CG2 4.13Å; H717-V731 PolarHBondContact N-O 2.76Å; H717-V731 PolarHBondContact O-N 2.99Å; H717-W806 HydrophobicContact CB-CH2 4.42Å; H717-W806 HydrophobicContact CB-CZ3 4.23Å; H717-W806 AromaticContact CD2-CH2 3.67Å; H717-W806 AromaticContact CG-CH2 3.94Å; H717-H810 AromaticContact NE2-CD2 3.4Å; H717-H810 PolarHBondContact NE2-CD2 3.07Å; H717-H810 AromaticContact NE2-NE2 3.77Å; H717-E814 IonicContact NE2-OE1 3.36Å; H717-E814 IonicContact NE2-OE2 3.59Å
718	T	88.3	Confident	84.7	Confident	53 Å²	53	46 Å²	46	33%	0.325	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	117.4	173.2	-63.9	0	0	0	0	111	G720 V730	T718-G720 PolarHBondContact O-N 3.41Å; T718-V730 HydrophobicContact CG2-CG1 4.19Å
719	L	89.4	Confident	85.7	Confident	15 Å²	15	45.3 Å²	45.3	8%	0.079	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	87.3	170.1	-60.5	-178.5	0	0	0	109.1	R725 M728 S729 W806 A828 L831	L719-R725 PolarHBondContact O-NH2 2.96Å; L719-R725 VanDerWaalsContact O-NH2 3.15Å; L719-M728 WeakPolarHBondContact O-CA 3.23Å; L719-S729 PolarHBondContact N-O 2.83Å; L719-S729 PolarHBondContact O-N 3.03Å; L719-W806 HydrophobicContact CD1-CZ2 4.25Å; L719-W806 HydrophobicContact CD2-CH2 4.28Å; L719-W806 HydrophobicContact CD2-CZ2 4.3Å; L719-A828 HydrophobicContact CD1-CB 3.87Å; L719-L831 HydrophobicContact CD1-CD2 3.59Å; L719-L831 HydrophobicContact CG-CD2 4.46Å
720	G	84.4	Confident	86.3	Confident	35 Å²	35	44.1 Å²	44.1	36%	0.361	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	162.5	-178.5	0	0	0	0	0	114.4	T718 D722 R725	T718-G720 PolarHBondContact O-N 3.41Å; G720-D722 PolarHBondContact O-N 3.32Å; G720-R725 PolarHBondContact O-NH2 3.15Å
721	F	82.9	Confident	86.7	Confident	125 Å²	125	37.9 Å²	37.9	55%	0.548	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	135.5	-177	-179	-93	0	0	0	112	M728	F721-M728 HydrophobicContact CB-CB 4.48Å; F721-M728 HydrophobicContact CB-CE 4.41Å
722	D	72.6	Confident	86.9	Confident	55 Å²	55	37.5 Å²	37.5	29%	0.294	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	130.4	178.2	177.5	-15	0	0	0	108.6	G720 T724 R725 K726	G720-D722 PolarHBondContact O-N 3.32Å; D722-T724 PolarHBondContact O-N 3.04Å; D722-T724 WeakPolarHBondContact OD1-CB 3.23Å; D722-T724 PolarHBondContact OD1-N 2.85Å; D722-T724 PolarHBondContact OD1-OG1 3.45Å; D722-T724 PolarHBondContact OD2-OG1 3.37Å; D722-R725 HydrophobicContact CB-CB 4.05Å; D722-R725 HydrophobicContact CB-CG 3.91Å; D722-R725 PolarHBondContact O-N 2.68Å; D722-R725 IonicContact OD2-NE 3.41Å; D722-K726 WeakPolarHBondContact O-CA 3.48Å; D722-K726 PolarHBondContact O-N 3.41Å
723	S	65.9	Low	87.1	Confident	90 Å²	90	38 Å²	38	63%	0.629	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.6	-179.9	60.1	0	0	0	0	113.7	K726	S723-K726 WeakPolarHBondContact O-CE 3.42Å; S723-K726 VanDerWaalsContact O-CG 3.24Å; S723-K726 WeakPolarHBondContact O-CG 3.47Å
724	T	71.8	Confident	86.9	Confident	90 Å²	90	39.1 Å²	39.1	55%	0.552	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-46.4	172.2	72.2	0	0	0	0	111.3	D722	D722-T724 PolarHBondContact O-N 3.04Å; D722-T724 WeakPolarHBondContact OD1-CB 3.23Å; D722-T724 PolarHBondContact OD1-N 2.85Å; D722-T724 PolarHBondContact OD1-OG1 3.45Å; D722-T724 PolarHBondContact OD2-OG1 3.37Å
725	R	83.5	Confident	86.6	Confident	11 Å²	11	38.4 Å²	38.4	4%	0.042	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-26.2	-177.8	-53.4	-173.4	-47.5	108.7	-0.8	113.3	L719 G720 D722 R727 F825 E832	L719-R725 PolarHBondContact O-NH2 2.96Å; L719-R725 VanDerWaalsContact O-NH2 3.15Å; G720-R725 PolarHBondContact O-NH2 3.15Å; D722-R725 HydrophobicContact CB-CB 4.05Å; D722-R725 HydrophobicContact CB-CG 3.91Å; D722-R725 PolarHBondContact O-N 2.68Å; D722-R725 IonicContact OD2-NE 3.41Å; R725-R727 HydrophobicContact CB-CG 4.07Å; R725-R727 PolarHBondContact NH2-O 3.29Å; R725-R727 WeakPolarHBondContact O-CG 3.47Å; R725-R727 PolarHBondContact O-N 3.09Å; R725-R727 PolarHBondContact O-NH1 3.01Å; R725-F825 HydrophobicContact CG-CD2 3.74Å; R725-F825 HydrophobicContact CG-CE2 3.83Å; R725-E832 IonicContact CZ-OE1 2.7Å; R725-E832 IonicContact NH1-OE1 3.96Å; R725-E832 PolarHBondContact NH1-OE1 3.06Å; R725-E832 IonicContact NH1-OE2 3.35Å; R725-E832 PolarHBondContact NH1-OE2 3.2Å
726	K	83.1	Confident	86.2	Confident	86 Å²	86	41.8 Å²	41.8	37%	0.374	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	35.8	-179.2	-56.1	-177.6	-178.5	-178.5	0	114.2	D722 S723 G746 A747 V750	D722-K726 WeakPolarHBondContact O-CA 3.48Å; D722-K726 PolarHBondContact O-N 3.41Å; S723-K726 WeakPolarHBondContact O-CE 3.42Å; S723-K726 VanDerWaalsContact O-CG 3.24Å; S723-K726 WeakPolarHBondContact O-CG 3.47Å; K726-G746 WeakPolarHBondContact O-CA 3.45Å; K726-A747 HydrophobicContact CB-CB 4.27Å; K726-A747 PolarHBondContact O-N 2.85Å; K726-V750 HydrophobicContact CB-CG2 4.24Å
727	R	90.1	Very high	85.8	Confident	10 Å²	10	42.4 Å²	42.4	4%	0.038	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	159.8	-177.5	66.8	-161.3	-177.9	-103.4	3.5	111.1	R725 T744 K745 I751 E832	R725-R727 HydrophobicContact CB-CG 4.07Å; R725-R727 PolarHBondContact NH2-O 3.29Å; R725-R727 WeakPolarHBondContact O-CG 3.47Å; R725-R727 PolarHBondContact O-N 3.09Å; R725-R727 PolarHBondContact O-NH1 3.01Å; R727-T744 HydrophobicContact CB-CG2 4.41Å; R727-K745 CarbonylContact C-O 3.57Å; R727-K745 WeakPolarHBondContact CA-O 3.44Å; R727-K745 VanDerWaalsContact CB-O 3.24Å; R727-K745 WeakPolarHBondContact CB-O 3.4Å; R727-I751 HydrophobicContact CB-CD1 3.98Å; R727-E832 IonicContact CZ-OE2 2.73Å; R727-E832 VanDerWaalsContact NE-CD 3.33Å; R727-E832 IonicContact NE-OE1 2.83Å; R727-E832 IonicContact NE-OE2 3.85Å; R727-E832 PolarHBondContact NE-OE2 3.05Å; R727-E832 IonicContact NH2-OE2 3.06Å; R727-E832 PolarHBondContact NH2-OE2 2.57Å
728	M	91.6	Very high	85.6	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	145.9	170.5	176.2	-169.5	-77	0	0	108	N562 T563 E679 L719 F721 T744 K745	N562-M728 VanDerWaalsContact CA-SD 3.56Å; T563-M728 HydrophobicContact CG2-CE 3.82Å; E679-M728 WeakPolarHBondContact OE1-CE 3.41Å; L719-M728 WeakPolarHBondContact O-CA 3.23Å; F721-M728 HydrophobicContact CB-CB 4.48Å; F721-M728 HydrophobicContact CB-CE 4.41Å; M728-T744 WeakPolarHBondContact O-CA 3.31Å; M728-K745 HydrophobicContact CB-CG 4.27Å; M728-K745 PolarHBondContact N-O 2.69Å; M728-K745 PolarHBondContact O-N 3.28Å; M728-K745 VanDerWaalsContact O-O 3.13Å
729	S	94.6	Very high	85.6	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	146	171.1	-63.3	0	0	0	0	111.7	L719 Y743 T744 E832	L719-S729 PolarHBondContact N-O 2.83Å; L719-S729 PolarHBondContact O-N 3.03Å; S729-Y743 CarbonylContact C-O 3.53Å; S729-Y743 VanDerWaalsContact CA-O 3.28Å; S729-Y743 WeakPolarHBondContact CA-O 3.29Å; S729-T744 WeakPolarHBondContact OG-CB 3.41Å; S729-T744 VanDerWaalsContact OG-CG2 3.29Å; S729-T744 WeakPolarHBondContact OG-CG2 3.43Å; S729-T744 PolarHBondContact OG-OG1 3.46Å; S729-E832 WeakPolarHBondContact CB-OE1 3.47Å; S729-E832 WeakPolarHBondContact OG-CG 3.46Å; S729-E832 PolarHBondContact OG-OE1 3.4Å
730	V	94.4	Very high	85.8	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	142.3	169.7	-64.9	0	0	0	0	109.1	I560 C561 L715 T718 V742 Y743	I560-V730 HydrophobicContact CG2-CG2 4.05Å; C561-V730 HydrophobicContact CB-CG2 3.81Å; L715-V730 HydrophobicContact CD1-CB 4.09Å; L715-V730 HydrophobicContact CD1-CG1 4.43Å; T718-V730 HydrophobicContact CG2-CG1 4.19Å; V730-V742 CarbonylContact O-C 3.56Å; V730-V742 WeakPolarHBondContact O-CA 3.48Å; V730-Y743 PolarHBondContact N-O 2.87Å; V730-Y743 PolarHBondContact O-N 3.05Å
731	V	94.8	Very high	86.3	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	118.6	175.3	-169.6	0	0	0	0	107.7	L716 H717 I740 V742 Y803 L831	L716-V731 HydrophobicContact CB-CB 4.34Å; L716-V731 HydrophobicContact CB-CG1 4.21Å; L716-V731 HydrophobicContact CD1-CG1 4.31Å; L716-V731 PolarHBondContact N-O 2.99Å; H717-V731 HydrophobicContact CB-CB 4.23Å; H717-V731 HydrophobicContact CB-CG2 4.13Å; H717-V731 PolarHBondContact N-O 2.76Å; H717-V731 PolarHBondContact O-N 2.99Å; V731-I740 HydrophobicContact CG1-CG2 3.6Å; V731-V742 HydrophobicContact CG1-CG2 4.39Å; V731-V742 HydrophobicContact CG2-CG1 4.43Å; V731-V742 HydrophobicContact CG2-CG2 4.19Å; V731-Y803 HydrophobicContact CB-CE2 4.49Å; V731-Y803 HydrophobicContact CG1-CD2 3.99Å; V731-Y803 HydrophobicContact CG1-CE2 3.85Å; V731-L831 HydrophobicContact CG2-CD2 3.74Å
732	V	94.4	Very high	86.9	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	150.2	179.6	-64.2	0	0	0	0	112.3	I560 F713 E714 L715 I740 T741 Y743	I560-V732 HydrophobicContact CG2-CG1 3.77Å; F713-V732 HydrophobicContact CB-CB 4.41Å; F713-V732 HydrophobicContact CB-CG1 4.48Å; F713-V732 HydrophobicContact CD1-CG2 4.19Å; E714-V732 CarbonylContact O-C 3.59Å; E714-V732 WeakPolarHBondContact O-CA 3.47Å; L715-V732 HydrophobicContact CD1-CG1 3.82Å; V732-I740 CarbonylContact O-C 3.59Å; V732-I740 WeakPolarHBondContact O-CA 3.12Å; V732-T741 PolarHBondContact N-O 2.98Å; V732-T741 PolarHBondContact O-N 3.13Å; V732-Y743 HydrophobicContact CG2-CD2 3.92Å; V732-Y743 HydrophobicContact CG2-CE2 3.75Å
733	R	92.8	Very high	88	Confident	69 Å²	69	36.1 Å²	36.1	26%	0.26	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	124.3	163.2	-167.5	-178.8	-64.6	145.1	11.9	108.6	E714 L716 D738 Q739	E714-R733 HydrophobicContact CB-CB 4.14Å; E714-R733 PolarHBondContact N-O 3.12Å; E714-R733 PolarHBondContact O-N 2.83Å; E714-R733 IonicContact OE1-CZ 2.7Å; E714-R733 IonicContact OE1-NH1 3.66Å; E714-R733 PolarHBondContact OE1-NH1 3.14Å; E714-R733 IonicContact OE1-NH2 2.74Å; E714-R733 PolarHBondContact OE1-NH2 2.87Å; E714-R733 WeakPolarHBondContact OE2-CD 3.43Å; E714-R733 IonicContact OE2-CZ 3.72Å; E714-R733 VanDerWaalsContact OE2-CZ 3.25Å; E714-R733 IonicContact OE2-NE 2.77Å; E714-R733 IonicContact OE2-NH1 2.62Å; E714-R733 PolarHBondContact OE2-NH1 2.72Å; L716-R733 HydrophobicContact CD1-CB 4.2Å; R733-D738 WeakPolarHBondContact CD-OD1 3.3Å; R733-Q739 WeakPolarHBondContact CA-O 3.39Å
734	H	88.7	Confident	89.4	Confident	22 Å²	22	31.9 Å²	31.9	10%	0.102	16%	0.164	C	C	.	.			trans	-79.4	123.2	-177.5	-178.4	-69.1	0	0	0	110.8	F713 L736 T737 D738 Q739	F713-H734 HydrophobicContact CE1-CB 4.38Å; F713-H734 AromaticContact CE1-CD2 3.51Å; H734-L736 VanDerWaalsContact C-N 3.33Å; H734-L736 PolarHBondContact ND1-N 3.44Å; H734-L736 PolarHBondContact O-N 3.09Å; H734-T737 WeakPolarHBondContact CB-OG1 3.34Å; H734-T737 PolarHBondContact ND1-OG1 3.49Å; H734-T737 PolarHBondContact O-N 3.19Å; H734-T737 VanDerWaalsContact O-N 3.15Å; H734-D738 PolarHBondContact O-N 2.81Å; H734-Q739 PolarHBondContact N-O 3.1Å
735	P	85.8	Confident	90.5	Very high	60 Å²	60	28.5 Å²	28.5	39%	0.39	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-32.8	-165.5	21.6	-33	0	0	0	114.5	L711 T712	L711-P735 HydrophobicContact CB-CG 4.17Å; L711-P735 HydrophobicContact CD1-CG 4.35Å; L711-P735 HydrophobicContact CD2-CG 4.47Å; T712-P735 WeakPolarHBondContact O-CB 3.42Å; T712-P735 WeakPolarHBondContact O-CG 3.31Å
736	L	81.6	Confident	90.8	Very high	82 Å²	82	28.1 Å²	28.1	43%	0.429	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-8.6	-178.3	-52.2	178.1	0	0	0	114.5	L708 L711 H734	L708-L736 HydrophobicContact CD2-CD1 4.02Å; L711-L736 HydrophobicContact CD1-CD1 4.27Å; L711-L736 HydrophobicContact CD2-CD1 4.32Å; L711-L736 HydrophobicContact CD2-CD2 4.32Å; L711-L736 HydrophobicContact CD2-CG 4.34Å; H734-L736 VanDerWaalsContact C-N 3.33Å; H734-L736 PolarHBondContact ND1-N 3.44Å; H734-L736 PolarHBondContact O-N 3.09Å
737	T	81.6	Confident	91	Very high	41 Å²	41	24.8 Å²	24.8	25%	0.252	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.6	-9.2	-172.5	61.6	0	0	0	0	114.2	M541 H734 Q739	M541-T737 HydrophobicContact CB-CG2 4.31Å; M541-T737 HydrophobicContact CG-CG2 3.81Å; H734-T737 WeakPolarHBondContact CB-OG1 3.34Å; H734-T737 PolarHBondContact ND1-OG1 3.49Å; H734-T737 PolarHBondContact O-N 3.19Å; H734-T737 VanDerWaalsContact O-N 3.15Å; T737-Q739 PolarHBondContact O-N 3.43Å
738	D	85.1	Confident	90.9	Very high	85 Å²	85	25.1 Å²	25.1	46%	0.455	13%	0.132	S	C	.	.			trans	58	12.8	-178.6	-171.8	31.8	0	0	0	113.7	R733 H734 K800	R733-D738 WeakPolarHBondContact CD-OD1 3.3Å; H734-D738 PolarHBondContact O-N 2.81Å; D738-K800 WeakPolarHBondContact OD1-CE 3.25Å; D738-K800 IonicContact OD1-NZ 2.74Å; D738-K800 PolarHBondContact OD1-NZ 2.95Å; D738-K800 WeakPolarHBondContact OD2-CE 3.46Å; D738-K800 IonicContact OD2-NZ 3.15Å; D738-K800 PolarHBondContact OD2-NZ 2.88Å
739	Q	89	Confident	90.5	Very high	99 Å²	99	27.8 Å²	27.8	46%	0.463	15%	0.151	S	C	.	.			trans	-82.8	133.5	178.3	-68.4	-175.4	13.2	0	0	110.5	R733 H734 T737 T797	R733-Q739 WeakPolarHBondContact CA-O 3.39Å; H734-Q739 PolarHBondContact N-O 3.1Å; T737-Q739 PolarHBondContact O-N 3.43Å; Q739-T797 HydrophobicContact CB-CG2 4.13Å; Q739-T797 HydrophobicContact CG-CG2 4.46Å
740	I	93.8	Very high	90.2	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.015	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	119.6	170.6	-61	179.7	0	0	0	107.7	L716 V731 V732 T797 L798 K800 Y803	L716-I740 HydrophobicContact CD1-CB 4.47Å; L716-I740 HydrophobicContact CD1-CD1 3.9Å; L716-I740 HydrophobicContact CD1-CG1 3.86Å; L716-I740 HydrophobicContact CD1-CG2 3.93Å; V731-I740 HydrophobicContact CG1-CG2 3.6Å; V732-I740 CarbonylContact O-C 3.59Å; V732-I740 WeakPolarHBondContact O-CA 3.12Å; I740-T797 CarbonylContact O-C 3.53Å; I740-T797 WeakPolarHBondContact O-CA 3.2Å; I740-L798 HydrophobicContact CB-CB 4.44Å; I740-L798 HydrophobicContact CG2-CB 4.25Å; I740-L798 HydrophobicContact CG2-CD1 4.41Å; I740-L798 PolarHBondContact O-N 3.37Å; I740-K800 HydrophobicContact CD1-CG 4.15Å; I740-Y803 HydrophobicContact CD1-CD1 3.89Å; I740-Y803 HydrophobicContact CD1-CG 3.9Å; I740-Y803 HydrophobicContact CG2-CD2 4.36Å; I740-Y803 HydrophobicContact CG2-CG 4.3Å
741	T	93.8	Very high	90.1	Very high	7 Å²	7	29.2 Å²	29.2	4%	0.043	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	125.3	179.8	-56.8	0	0	0	0	110.2	V732 Y743 K795	V732-T741 PolarHBondContact N-O 2.98Å; V732-T741 PolarHBondContact O-N 3.13Å; T741-Y743 HydrophobicContact CG2-CD1 4.31Å; T741-Y743 HydrophobicContact CG2-CD2 4.19Å; T741-Y743 HydrophobicContact CG2-CE1 3.95Å; T741-Y743 HydrophobicContact CG2-CE2 3.81Å; T741-Y743 HydrophobicContact CG2-CG 4.43Å; T741-K795 HydrophobicContact CG2-CB 4.09Å; T741-K795 HydrophobicContact CG2-CD 4.49Å
742	V	95.3	Very high	89.8	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	124	166.2	-169.5	0	0	0	0	107.7	V730 V731 K795 K796 L798 L831	V730-V742 CarbonylContact O-C 3.56Å; V730-V742 WeakPolarHBondContact O-CA 3.48Å; V731-V742 HydrophobicContact CG1-CG2 4.39Å; V731-V742 HydrophobicContact CG2-CG1 4.43Å; V731-V742 HydrophobicContact CG2-CG2 4.19Å; V742-K795 CarbonylContact O-C 3.49Å; V742-K795 WeakPolarHBondContact O-CA 3.44Å; V742-K796 HydrophobicContact CB-CB 4.39Å; V742-K796 PolarHBondContact N-O 2.86Å; V742-K796 PolarHBondContact O-N 2.74Å; V742-L798 HydrophobicContact CG2-CD1 3.57Å; V742-L798 HydrophobicContact CG2-CG 4.04Å; V742-L831 HydrophobicContact CG1-CD2 3.95Å; V742-L831 HydrophobicContact CG1-CG 4.18Å; V742-L831 HydrophobicContact CG2-CD1 3.86Å; V742-L831 HydrophobicContact CG2-CD2 4.26Å; V742-L831 HydrophobicContact CG2-CG 3.96Å
743	Y	96.1	Very high	89.6	Confident	1 Å²	1	36.2 Å²	36.2	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.3	166.8	-66.8	-74.1	0	0	0	109.1	D553 I556 A557 C561 S729 V730 V732 T741 K795 L838	D553-Y743 HydrophobicContact CB-CE1 4.47Å; D553-Y743 PolarHBondContact OD1-OH 2.95Å; I556-Y743 HydrophobicContact CG2-CE2 3.86Å; A557-Y743 HydrophobicContact CB-CD1 3.58Å; A557-Y743 HydrophobicContact CB-CE1 4.16Å; A557-Y743 HydrophobicContact CB-CG 4.06Å; C561-Y743 PolarHBondContact SG-O 3.37Å; S729-Y743 CarbonylContact C-O 3.53Å; S729-Y743 VanDerWaalsContact CA-O 3.28Å; S729-Y743 WeakPolarHBondContact CA-O 3.29Å; V730-Y743 PolarHBondContact N-O 2.87Å; V730-Y743 PolarHBondContact O-N 3.05Å; V732-Y743 HydrophobicContact CG2-CD2 3.92Å; V732-Y743 HydrophobicContact CG2-CE2 3.75Å; T741-Y743 HydrophobicContact CG2-CD1 4.31Å; T741-Y743 HydrophobicContact CG2-CD2 4.19Å; T741-Y743 HydrophobicContact CG2-CE1 3.95Å; T741-Y743 HydrophobicContact CG2-CE2 3.81Å; T741-Y743 HydrophobicContact CG2-CG 4.43Å; Y743-K795 HydrophobicContact CD1-CB 3.77Å; Y743-K795 HydrophobicContact CE1-CB 3.87Å; Y743-K795 HydrophobicContact CE1-CD 4.33Å; Y743-L838 HydrophobicContact CD1-CD1 4.38Å; Y743-L838 HydrophobicContact CE1-CD1 4.36Å
744	T	95.3	Very high	89.5	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	128.7	-177	-58.4	0	0	0	0	109.8	R727 M728 S729 I751 A794 L835	R727-T744 HydrophobicContact CB-CG2 4.41Å; M728-T744 WeakPolarHBondContact O-CA 3.31Å; S729-T744 WeakPolarHBondContact OG-CB 3.41Å; S729-T744 VanDerWaalsContact OG-CG2 3.29Å; S729-T744 WeakPolarHBondContact OG-CG2 3.43Å; S729-T744 PolarHBondContact OG-OG1 3.46Å; T744-I751 HydrophobicContact CG2-CD1 3.61Å; T744-A794 PolarHBondContact N-O 3.31Å; T744-A794 PolarHBondContact O-N 3.43Å; T744-L835 HydrophobicContact CG2-CD1 4.1Å
745	K	94.6	Very high	89.5	Confident	19 Å²	19	33.5 Å²	33.5	8%	0.083	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	146	168.4	73.8	179.9	178.2	-170.9	0	110.7	C561 E679 R727 M728 C792 I793	C561-K745 WeakPolarHBondContact O-CD 3.22Å; C561-K745 WeakPolarHBondContact O-CE 3.38Å; C561-K745 PolarHBondContact O-NZ 2.87Å; E679-K745 VanDerWaalsContact OE1-CE 3.23Å; E679-K745 WeakPolarHBondContact OE1-CE 3.49Å; E679-K745 IonicContact OE1-NZ 2.71Å; E679-K745 PolarHBondContact OE1-NZ 2.91Å; E679-K745 IonicContact OE2-NZ 3.19Å; E679-K745 PolarHBondContact OE2-NZ 2.79Å; R727-K745 CarbonylContact C-O 3.57Å; R727-K745 WeakPolarHBondContact CA-O 3.44Å; R727-K745 VanDerWaalsContact CB-O 3.24Å; R727-K745 WeakPolarHBondContact CB-O 3.4Å; M728-K745 HydrophobicContact CB-CG 4.27Å; M728-K745 PolarHBondContact N-O 2.69Å; M728-K745 PolarHBondContact O-N 3.28Å; M728-K745 VanDerWaalsContact O-O 3.13Å; K745-C792 VanDerWaalsContact CA-O 3.32Å; K745-C792 WeakPolarHBondContact CA-O 3.45Å; K745-I793 HydrophobicContact CB-CG1 4.28Å
746	G	91.6	Very high	89.4	Confident	3 Å²	3	35 Å²	35	3%	0.031	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.6	-173.3	175.7	0	0	0	0	0	114.6	K726 D748 L791 C792	K726-G746 WeakPolarHBondContact O-CA 3.45Å; G746-D748 PolarHBondContact O-N 3.47Å; G746-L791 WeakPolarHBondContact O-CA 3.27Å; G746-C792 PolarHBondContact N-O 3.48Å; G746-C792 PolarHBondContact O-N 3.34Å
747	A	87.3	Confident	89	Confident	15 Å²	15	35.2 Å²	35.2	12%	0.124	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	133.4	178.2	0	0	0	0	0	111.6	K726 S749 V750 I751	K726-A747 HydrophobicContact CB-CB 4.27Å; K726-A747 PolarHBondContact O-N 2.85Å; A747-S749 VanDerWaalsContact C-N 3.35Å; A747-S749 PolarHBondContact O-N 3.47Å; A747-V750 HydrophobicContact CB-CG2 4.44Å; A747-V750 PolarHBondContact O-N 2.94Å; A747-I751 PolarHBondContact O-N 3.46Å
748	D	87.8	Confident	88.3	Confident	18 Å²	18	35.9 Å²	35.9	10%	0.096	20%	0.199	C	C	.	.	H	α-helix	trans	-41	-54.3	173.5	44.4	22.4	0	0	0	114.3	G746 V750 I751 M752 L780 T790 K872	G746-D748 PolarHBondContact O-N 3.47Å; D748-V750 PolarHBondContact O-N 2.92Å; D748-I751 PolarHBondContact O-N 3.34Å; D748-M752 VanDerWaalsContact O-CB 3.26Å; D748-M752 WeakPolarHBondContact O-CB 3.42Å; D748-M752 VanDerWaalsContact O-CG 3.3Å; D748-M752 WeakPolarHBondContact O-CG 3.47Å; D748-M752 PolarHBondContact O-N 3.07Å; D748-L780 HydrophobicContact CB-CD1 4.04Å; D748-L780 HydrophobicContact CB-CD2 4.03Å; D748-T790 WeakPolarHBondContact OD2-CB 3.26Å; D748-T790 PolarHBondContact OD2-OG1 3.43Å; D748-K872 IonicContact OD1-NZ 3.45Å; D748-K872 PolarHBondContact OD1-NZ 3.37Å; D748-K872 IonicContact OD2-NZ 3.64Å; D748-K872 PolarHBondContact OD2-NZ 3.31Å
749	S	82.8	Confident	87.2	Confident	58 Å²	58	36.3 Å²	36.3	41%	0.406	20%	0.201	S	C	.	.	H	α-helix	trans	-64.9	-5.3	-178.5	79.6	0	0	0	0	114.6	A747 N753	A747-S749 VanDerWaalsContact C-N 3.35Å; A747-S749 PolarHBondContact O-N 3.47Å; S749-N753 PolarHBondContact O-ND2 2.91Å; S749-N753 VanDerWaalsContact O-ND2 3.09Å
750	V	88.9	Confident	85.6	Confident	29 Å²	29	38.4 Å²	38.4	18%	0.176	22%	0.221	C	C	.	.	H	α-helix	trans	-109.2	-51.5	174.5	-179.4	0	0	0	0	110.3	K726 A747 D748 M752 N753 L754	K726-V750 HydrophobicContact CB-CG2 4.24Å; A747-V750 HydrophobicContact CB-CG2 4.44Å; A747-V750 PolarHBondContact O-N 2.94Å; D748-V750 PolarHBondContact O-N 2.92Å; V750-M752 VanDerWaalsContact C-N 3.3Å; V750-M752 PolarHBondContact O-N 3.25Å; V750-N753 PolarHBondContact O-N 3.34Å; V750-L754 HydrophobicContact CG1-CD1 4.02Å; V750-L754 WeakPolarHBondContact O-CG 3.35Å; V750-L754 PolarHBondContact O-N 2.84Å
751	I	91.3	Very high	83.4	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63	-38	-178.9	-56.6	-53.1	0	0	0	111.1	R727 T744 A747 D748 N753 L754 I755 C792 A794	R727-I751 HydrophobicContact CB-CD1 3.98Å; T744-I751 HydrophobicContact CG2-CD1 3.61Å; A747-I751 PolarHBondContact O-N 3.46Å; D748-I751 PolarHBondContact O-N 3.34Å; I751-N753 PolarHBondContact O-N 3.19Å; I751-L754 PolarHBondContact O-N 2.89Å; I751-I755 WeakPolarHBondContact O-CG1 3.47Å; I751-I755 PolarHBondContact O-N 3Å; I751-C792 HydrophobicContact CB-CB 3.64Å; I751-C792 HydrophobicContact CG1-CB 3.95Å; I751-C792 HydrophobicContact CG2-CB 3.73Å; I751-A794 HydrophobicContact CG2-CB 4.03Å
752	M	89	Confident	81.4	Confident	12 Å²	12	49 Å²	49	6%	0.059	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-29.7	179.7	-71.9	-65.1	-164.7	0	0	113.6	D748 V750 L754 I755 F773 T776 Q777 L780 L837	D748-M752 VanDerWaalsContact O-CB 3.26Å; D748-M752 WeakPolarHBondContact O-CB 3.42Å; D748-M752 VanDerWaalsContact O-CG 3.3Å; D748-M752 WeakPolarHBondContact O-CG 3.47Å; D748-M752 PolarHBondContact O-N 3.07Å; V750-M752 VanDerWaalsContact C-N 3.3Å; V750-M752 PolarHBondContact O-N 3.25Å; M752-L754 VanDerWaalsContact C-N 3.31Å; M752-I755 HydrophobicContact SD-CD1 3.43Å; M752-I755 WeakPolarHBondContact SD-CD1 3.49Å; M752-F773 HydrophobicContact CB-CE2 4.36Å; M752-F773 HydrophobicContact SD-CD2 3.93Å; M752-F773 HydrophobicContact SD-CE2 3.62Å; M752-F773 HydrophobicContact SD-CZ 4.26Å; M752-T776 HydrophobicContact CE-CG2 3.86Å; M752-Q777 HydrophobicContact CE-CB 4.35Å; M752-L780 HydrophobicContact CE-CD1 3.33Å; M752-L837 HydrophobicContact CE-CD2 3.98Å; M752-L837 HydrophobicContact SD-CD2 4.21Å
753	N	89.3	Confident	79.7	Confident	137 Å²	137	53.6 Å²	53.6	73%	0.733	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-7.9	176	-66.8	-24.1	0	0	0	113.4	S749 V750 I751	S749-N753 PolarHBondContact O-ND2 2.91Å; S749-N753 VanDerWaalsContact O-ND2 3.09Å; V750-N753 PolarHBondContact O-N 3.34Å; I751-N753 PolarHBondContact O-N 3.19Å
754	L	90.6	Very high	78	Confident	17 Å²	17	59 Å²	59	9%	0.089	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-8	-178.2	-67.3	172.8	0	0	0	113.5	V750 I751 M752 L829 E832 T833 N834 L835	V750-L754 HydrophobicContact CG1-CD1 4.02Å; V750-L754 WeakPolarHBondContact O-CG 3.35Å; V750-L754 PolarHBondContact O-N 2.84Å; I751-L754 PolarHBondContact O-N 2.89Å; M752-L754 VanDerWaalsContact C-N 3.31Å; L754-L829 HydrophobicContact CD2-CD1 3.82Å; L754-E832 WeakPolarHBondContact CB-O 3.43Å; L754-T833 HydrophobicContact CD2-CG2 3.76Å; L754-N834 WeakPolarHBondContact O-CA 3.37Å; L754-N834 PolarHBondContact O-N 2.87Å; L754-L835 HydrophobicContact CB-CD1 4.13Å; L754-L835 HydrophobicContact CB-CG 4.49Å; L754-L835 PolarHBondContact O-N 2.76Å
755	I	90.3	Very high	76.5	Confident	17 Å²	17	67 Å²	67	9%	0.087	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-65.6	141.7	175.3	-69.6	161	0	0	0	110.2	I751 M752 F773 L835 L837	I751-I755 WeakPolarHBondContact O-CG1 3.47Å; I751-I755 PolarHBondContact O-N 3Å; M752-I755 HydrophobicContact SD-CD1 3.43Å; M752-I755 WeakPolarHBondContact SD-CD1 3.49Å; I755-F773 HydrophobicContact CD1-CD2 3.82Å; I755-F773 HydrophobicContact CD1-CE2 3.88Å; I755-F773 HydrophobicContact CG2-CD2 4.32Å; I755-L835 CarbonylContact C-O 3.45Å; I755-L835 VanDerWaalsContact CA-O 3.27Å; I755-L835 WeakPolarHBondContact CA-O 3.13Å; I755-L837 HydrophobicContact CD1-CB 3.71Å; I755-L837 HydrophobicContact CD1-CD1 4.13Å; I755-L837 HydrophobicContact CD1-CD2 3.96Å; I755-L837 HydrophobicContact CD1-CG 4.15Å; I755-L837 HydrophobicContact CG1-CB 4.14Å
756	K	81.9	Confident	75.3	Confident	90 Å²	90	66.6 Å²	66.6	39%	0.391	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-57.6	126.4	174.3	-169.2	-157.5	170.3	-165.4	0	109.5	D759 N834 L835	K756-D759 WeakPolarHBondContact CE-OD1 3.38Å; K756-D759 IonicContact NZ-OD1 3.13Å; K756-D759 PolarHBondContact NZ-OD1 3.38Å; K756-D759 IonicContact NZ-OD2 3.49Å; K756-D759 PolarHBondContact NZ-OD2 3.04Å; K756-N834 HydrophobicContact CB-CB 4.17Å; K756-N834 HydrophobicContact CG-CB 4.3Å; K756-L835 PolarHBondContact N-O 2.84Å
757	P	74.6	Confident	74.4	Confident	87 Å²	87	73.6 Å²	73.6	57%	0.565	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-58.5	142.3	175.8	24.3	-34.2	0	0	0	110.9	D759	P757-D759 PolarHBondContact O-N 2.9Å
758	P	65.7	Low	73.9	Confident	55 Å²	55	77.4 Å²	77.4	36%	0.357	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-69.1	119.8	-179.5	27.8	-33.5	0	0	0	110.2	T760 K770	P758-T760 PolarHBondContact O-N 2.91Å; P758-K770 HydrophobicContact CB-CB 3.99Å; P758-K770 HydrophobicContact CG-CB 4.16Å; P758-K770 HydrophobicContact CG-CD 4.11Å; P758-K770 HydrophobicContact CG-CG 4.17Å
759	D	62.5	Low	73.5	Confident	94 Å²	94	77.9 Å²	77.9	50%	0.503	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-55.5	125.6	-177.3	-53.8	-75.4	0	0	0	111.5	K756 P757 E761	K756-D759 WeakPolarHBondContact CE-OD1 3.38Å; K756-D759 IonicContact NZ-OD1 3.13Å; K756-D759 PolarHBondContact NZ-OD1 3.38Å; K756-D759 IonicContact NZ-OD2 3.49Å; K756-D759 PolarHBondContact NZ-OD2 3.04Å; P757-D759 PolarHBondContact O-N 2.9Å; D759-E761 PolarHBondContact O-N 2.64Å
760	T	54.9	Low	73.5	Confident	143 Å²	143	81 Å²	81	88%	0.877	43%	0.429	S	S	*	.			trans	-68.1	-22.7	-173.6	-46.3	0	0	0	0	113	P758 G762	P758-T760 PolarHBondContact O-N 2.91Å; T760-G762 PolarHBondContact O-N 3.41Å
761	E	48.4	Very low	73.5	Confident	174 Å²	174	86.6 Å²	86.6	81%	0.813	45%	0.45	S	S	*	.	S	Bend	trans	-80.8	84.1	-172.8	-63.9	-172.2	160	0	0	113.4	D759 N763	D759-E761 PolarHBondContact O-N 2.64Å; E761-N763 WeakPolarHBondContact O-CB 3.37Å; E761-N763 PolarHBondContact O-N 3.37Å
762	G	51.3	Low	73.3	Confident	59 Å²	59	87 Å²	87	61%	0.608	45%	0.453	S	S	*	.	S	Bend	trans	66.1	-25.6	151	0	0	0	0	0	119.8	T760	T760-G762 PolarHBondContact O-N 3.41Å
763	N	59.6	Low	73.3	Confident	97 Å²	97	89.6 Å²	89.6	52%	0.519	46%	0.464	S	S	.	.			trans	-77.9	140.2	-157.8	-162.4	-29.2	0	0	0	112.7	E761 K765 G766 K767	E761-N763 WeakPolarHBondContact O-CB 3.37Å; E761-N763 PolarHBondContact O-N 3.37Å; N763-K765 VanDerWaalsContact C-N 3.26Å; N763-K765 PolarHBondContact O-N 2.93Å; N763-K765 PolarHBondContact OD1-N 2.8Å; N763-G766 PolarHBondContact O-N 3.29Å; N763-G766 VanDerWaalsContact O-N 3.16Å; N763-K767 PolarHBondContact O-N 3.5Å
764	T	61.3	Low	73.3	Confident	114 Å²	114	86 Å²	86	70%	0.699	45%	0.448	S	S	*	.	H	α-helix	trans	-61.8	-33.4	-176.3	53.9	0	0	0	0	112.5	R768	T764-R768 PolarHBondContact O-N 3.13Å
765	K	63.4	Low	73.4	Confident	168 Å²	168	89.6 Å²	89.6	73%	0.73	46%	0.461	S	S	*	.	H	α-helix	trans	-62.8	-45	174.7	-68.1	-174.6	177.6	-178.1	0	112.3	N763 K767 R768 Q769	N763-K765 VanDerWaalsContact C-N 3.26Å; N763-K765 PolarHBondContact O-N 2.93Å; N763-K765 PolarHBondContact OD1-N 2.8Å; K765-K767 PolarHBondContact O-N 3.1Å; K765-R768 PolarHBondContact O-N 2.85Å; K765-Q769 PolarHBondContact O-N 2.93Å
766	G	68.6	Low	73.5	Confident	11 Å²	11	88.8 Å²	88.8	11%	0.113	46%	0.457	C	S	.	.	H	α-helix	trans	-63.3	-41.2	179.3	0	0	0	0	0	112.8	N763 R768 Q769 K770	N763-G766 PolarHBondContact O-N 3.29Å; N763-G766 VanDerWaalsContact O-N 3.16Å; G766-R768 PolarHBondContact O-N 3Å; G766-Q769 PolarHBondContact O-N 3.15Å; G766-K770 PolarHBondContact O-N 2.77Å
767	K	73.4	Confident	73.9	Confident	150 Å²	150	87 Å²	87	65%	0.652	45%	0.45	S	S	*	.	H	α-helix	trans	-61.4	-40.1	174.1	-68	178.7	-179	172.2	0	112.4	N763 K765 K771	N763-K767 PolarHBondContact O-N 3.5Å; K765-K767 PolarHBondContact O-N 3.1Å; K767-K771 PolarHBondContact O-N 2.78Å
768	R	77.2	Confident	74.8	Confident	95 Å²	95	87.9 Å²	87.9	36%	0.358	45%	0.45	S	S	.	.	H	α-helix	trans	-63.8	-47.6	173.2	173.4	172.3	158	-170.4	-14.8	111.4	S546 G547 D550 T764 K765 G766 K770 K771 I772	S546-R768 PolarHBondContact OG-NH1 3.43Å; S546-R768 PolarHBondContact OG-NH2 3.01Å; G547-R768 VanDerWaalsContact CA-NH2 3.26Å; G547-R768 VanDerWaalsContact N-NH2 3.15Å; D550-R768 IonicContact OD2-NH2 3.11Å; D550-R768 PolarHBondContact OD2-NH2 2.95Å; T764-R768 PolarHBondContact O-N 3.13Å; K765-R768 PolarHBondContact O-N 2.85Å; G766-R768 PolarHBondContact O-N 3Å; R768-K770 VanDerWaalsContact C-N 3.34Å; R768-K770 PolarHBondContact O-N 3.41Å; R768-K771 WeakPolarHBondContact O-CB 3.35Å; R768-K771 PolarHBondContact O-N 2.91Å; R768-K771 VanDerWaalsContact O-N 3.1Å; R768-I772 HydrophobicContact CG-CD1 3.89Å; R768-I772 HydrophobicContact CG-CG1 4.36Å; R768-I772 WeakPolarHBondContact O-CG1 3.48Å; R768-I772 PolarHBondContact O-N 3.26Å
769	Q	78.6	Confident	76	Confident	28 Å²	28	87.1 Å²	87.1	13%	0.131	44%	0.44	C	S	.	.	H	α-helix	trans	-61.3	-42.4	-178.1	-165.3	63.5	10.8	0	0	112.1	K765 G766 K771 I772 F773 H836	K765-Q769 PolarHBondContact O-N 2.93Å; G766-Q769 PolarHBondContact O-N 3.15Å; Q769-K771 VanDerWaalsContact C-N 3.33Å; Q769-K771 PolarHBondContact O-N 3.19Å; Q769-I772 PolarHBondContact O-N 3.18Å; Q769-F773 WeakPolarHBondContact O-CB 3.45Å; Q769-F773 PolarHBondContact O-N 3.32Å; Q769-H836 PolarHBondContact NE2-ND1 2.57Å; Q769-H836 PolarHBondContact OE1-CE1 3.08Å
770	K	83.8	Confident	77.3	Confident	125 Å²	125	82.7 Å²	82.7	54%	0.543	42%	0.417	S	S	.	.	H	α-helix	trans	-61.2	-39.5	174.4	-168.1	169.1	-176.4	171.9	0	112.3	P758 G766 R768 C774	P758-K770 HydrophobicContact CB-CB 3.99Å; P758-K770 HydrophobicContact CG-CB 4.16Å; P758-K770 HydrophobicContact CG-CD 4.11Å; P758-K770 HydrophobicContact CG-CG 4.17Å; G766-K770 PolarHBondContact O-N 2.77Å; R768-K770 VanDerWaalsContact C-N 3.34Å; R768-K770 PolarHBondContact O-N 3.41Å; K770-C774 PolarHBondContact O-N 3.49Å; K770-C774 VanDerWaalsContact O-N 3.1Å; K770-C774 PolarHBondContact O-SG 2.91Å; K770-C774 VanDerWaalsContact O-SG 3.35Å
771	K	87.1	Confident	78.6	Confident	145 Å²	145	80.3 Å²	80.3	63%	0.63	40%	0.398	S	S	*	.	H	α-helix	trans	-65.6	-39.3	175.2	-172.8	176.6	-178.9	178.8	0	112.4	K767 R768 Q769 R775	K767-K771 PolarHBondContact O-N 2.78Å; R768-K771 WeakPolarHBondContact O-CB 3.35Å; R768-K771 PolarHBondContact O-N 2.91Å; R768-K771 VanDerWaalsContact O-N 3.1Å; Q769-K771 VanDerWaalsContact C-N 3.33Å; Q769-K771 PolarHBondContact O-N 3.19Å; K771-R775 WeakPolarHBondContact O-CG 3.46Å; K771-R775 PolarHBondContact O-N 3.1Å; K771-R775 VanDerWaalsContact O-N 3.15Å
772	I	87.8	Confident	80.4	Confident	9 Å²	9	76.3 Å²	76.3	5%	0.046	38%	0.382	C	S	.	.	H	α-helix	trans	-63.5	-53.3	175.7	-68.3	175.3	0	0	0	109.9	A428 R768 Q769 C774 R775 T776 L837	A428-I772 WeakPolarHBondContact O-CG1 3.5Å; R768-I772 HydrophobicContact CG-CD1 3.89Å; R768-I772 HydrophobicContact CG-CG1 4.36Å; R768-I772 WeakPolarHBondContact O-CG1 3.48Å; R768-I772 PolarHBondContact O-N 3.26Å; Q769-I772 PolarHBondContact O-N 3.18Å; I772-C774 PolarHBondContact O-N 3Å; I772-R775 PolarHBondContact O-N 2.74Å; I772-R775 VanDerWaalsContact O-N 3.16Å; I772-T776 PolarHBondContact O-N 2.74Å; I772-T776 PolarHBondContact O-OG1 2.95Å; I772-L837 HydrophobicContact CG2-CD2 4.49Å
773	F	89.6	Confident	82.1	Confident	66 Å²	66	73.5 Å²	73.5	29%	0.289	35%	0.353	S	S	.	.	H	α-helix	trans	-50.8	-53.7	178.4	-179.6	-86.2	0	0	0	112.2	M752 I755 Q769 R775 T776 Q777	M752-F773 HydrophobicContact CB-CE2 4.36Å; M752-F773 HydrophobicContact SD-CD2 3.93Å; M752-F773 HydrophobicContact SD-CE2 3.62Å; M752-F773 HydrophobicContact SD-CZ 4.26Å; I755-F773 HydrophobicContact CD1-CD2 3.82Å; I755-F773 HydrophobicContact CD1-CE2 3.88Å; I755-F773 HydrophobicContact CG2-CD2 4.32Å; Q769-F773 WeakPolarHBondContact O-CB 3.45Å; Q769-F773 PolarHBondContact O-N 3.32Å; F773-R775 PolarHBondContact O-N 2.75Å; F773-T776 PolarHBondContact O-N 3.14Å; F773-Q777 WeakPolarHBondContact O-CB 3.47Å; F773-Q777 PolarHBondContact O-N 2.96Å
774	C	89.2	Confident	83	Confident	61 Å²	61	69.3 Å²	69.3	41%	0.412	33%	0.332	S	S	.	.	H	α-helix	trans	-64.6	-36.4	-179.3	-65.1	0	0	0	0	113.2	K770 I772 N778	K770-C774 PolarHBondContact O-N 3.49Å; K770-C774 VanDerWaalsContact O-N 3.1Å; K770-C774 PolarHBondContact O-SG 2.91Å; K770-C774 VanDerWaalsContact O-SG 3.35Å; I772-C774 PolarHBondContact O-N 3Å; C774-N778 PolarHBondContact O-N 2.96Å; C774-N778 PolarHBondContact O-OD1 3.37Å
775	R	92.7	Very high	83.6	Confident	94 Å²	94	66.3 Å²	66.3	36%	0.355	32%	0.319	S	S	.	.	H	α-helix	trans	-68.2	-48.4	175.5	-75.3	-171.2	77.1	-172.3	6.7	111.5	G429 K771 I772 F773 Q777 N778 Y779	G429-R775 WeakPolarHBondContact O-CD 3.46Å; G429-R775 PolarHBondContact O-NE 3.06Å; G429-R775 VanDerWaalsContact O-NE 3.13Å; G429-R775 PolarHBondContact O-NH1 2.84Å; K771-R775 WeakPolarHBondContact O-CG 3.46Å; K771-R775 PolarHBondContact O-N 3.1Å; K771-R775 VanDerWaalsContact O-N 3.15Å; I772-R775 PolarHBondContact O-N 2.74Å; I772-R775 VanDerWaalsContact O-N 3.16Å; F773-R775 PolarHBondContact O-N 2.75Å; R775-Q777 VanDerWaalsContact C-N 3.31Å; R775-Q777 PolarHBondContact O-N 2.67Å; R775-N778 PolarHBondContact O-N 2.95Å; R775-N778 VanDerWaalsContact O-N 3.16Å; R775-Y779 HydrophobicContact CB-CD2 4.36Å; R775-Y779 HydrophobicContact CB-CE2 4.15Å; R775-Y779 PolarHBondContact NH2-OH 3.27Å; R775-Y779 WeakPolarHBondContact O-CD2 3.4Å; R775-Y779 PolarHBondContact O-N 2.94Å
776	T	92.4	Very high	84.3	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-62	-38.4	180	-59.6	0	0	0	0	111.6	M752 I772 F773 Y779 L780 L837 A840	M752-T776 HydrophobicContact CE-CG2 3.86Å; I772-T776 PolarHBondContact O-N 2.74Å; I772-T776 PolarHBondContact O-OG1 2.95Å; F773-T776 PolarHBondContact O-N 3.14Å; T776-Y779 PolarHBondContact O-N 2.79Å; T776-L780 HydrophobicContact CG2-CD1 3.94Å; T776-L780 HydrophobicContact CG2-CG 4.45Å; T776-L780 WeakPolarHBondContact O-CB 3.37Å; T776-L780 WeakPolarHBondContact O-CD1 3.48Å; T776-L780 VanDerWaalsContact O-CG 3.29Å; T776-L780 WeakPolarHBondContact O-CG 3.28Å; T776-L780 PolarHBondContact O-N 3.06Å; T776-L837 HydrophobicContact CG2-CD2 4.01Å; T776-A840 HydrophobicContact CG2-CB 4Å
777	Q	90.6	Very high	84.6	Confident	52 Å²	52	62.5 Å²	62.5	24%	0.243	31%	0.307	C	S	.	.	H	α-helix	trans	-62.5	-42.9	173.4	-173.1	61.2	69	0	0	112.6	M752 F773 R775 Y779 L780 N781	M752-Q777 HydrophobicContact CE-CB 4.35Å; F773-Q777 WeakPolarHBondContact O-CB 3.47Å; F773-Q777 PolarHBondContact O-N 2.96Å; R775-Q777 VanDerWaalsContact C-N 3.31Å; R775-Q777 PolarHBondContact O-N 2.67Å; Q777-Y779 PolarHBondContact O-N 2.89Å; Q777-L780 PolarHBondContact O-N 3.29Å; Q777-N781 PolarHBondContact NE2-OD1 2.62Å; Q777-N781 VanDerWaalsContact O-CG 3.25Å; Q777-N781 PolarHBondContact O-N 2.99Å; Q777-N781 PolarHBondContact O-OD1 2.87Å; Q777-N781 VanDerWaalsContact O-OD1 3.08Å
778	N	91.8	Very high	85.1	Confident	106 Å²	106	55.6 Å²	55.6	57%	0.567	28%	0.278	S	S	*	.	H	α-helix	trans	-63.3	-42.5	176.4	-72.1	7.5	0	0	0	111.7	C774 R775 N781 L782	C774-N778 PolarHBondContact O-N 2.96Å; C774-N778 PolarHBondContact O-OD1 3.37Å; R775-N778 PolarHBondContact O-N 2.95Å; R775-N778 VanDerWaalsContact O-N 3.16Å; N778-N781 PolarHBondContact O-N 3.09Å; N778-L782 WeakPolarHBondContact O-CG 3.32Å; N778-L782 PolarHBondContact O-N 3.19Å; N778-L782 VanDerWaalsContact O-N 3.09Å
779	Y	92.7	Very high	85.5	Confident	39 Å²	39	53 Å²	53	15%	0.153	27%	0.268	C	S	.	.	H	α-helix	trans	-66.3	-37	176.2	-70.1	-56.4	0	0	0	113	T426 E431 R775 T776 Q777 N781 L782 Y783	T426-Y779 VanDerWaalsContact CG2-CB 3.46Å; T426-Y779 HydrophobicContact CG2-CD2 3.61Å; T426-Y779 HydrophobicContact CG2-CE2 4.5Å; T426-Y779 HydrophobicContact CG2-CG 3.67Å; E431-Y779 HydrophobicContact CB-CD1 4Å; E431-Y779 HydrophobicContact CB-CD2 4.41Å; E431-Y779 HydrophobicContact CB-CE1 3.67Å; E431-Y779 HydrophobicContact CB-CE2 4.1Å; E431-Y779 HydrophobicContact CB-CG 4.37Å; E431-Y779 HydrophobicContact CG-CD1 4.45Å; E431-Y779 HydrophobicContact CG-CE1 4.32Å; E431-Y779 WeakPolarHBondContact OE2-CD1 3.47Å; E431-Y779 WeakPolarHBondContact OE2-CE1 3.35Å; R775-Y779 HydrophobicContact CB-CD2 4.36Å; R775-Y779 HydrophobicContact CB-CE2 4.15Å; R775-Y779 PolarHBondContact NH2-OH 3.27Å; R775-Y779 WeakPolarHBondContact O-CD2 3.4Å; R775-Y779 PolarHBondContact O-N 2.94Å; T776-Y779 PolarHBondContact O-N 2.79Å; Q777-Y779 PolarHBondContact O-N 2.89Å; Y779-N781 VanDerWaalsContact C-N 3.33Å; Y779-N781 PolarHBondContact O-N 2.8Å; Y779-L782 HydrophobicContact CD1-CD1 4.22Å; Y779-L782 WeakPolarHBondContact O-CB 3.46Å; Y779-L782 PolarHBondContact O-N 2.7Å; Y779-Y783 WeakPolarHBondContact O-CD1 3.22Å; Y779-Y783 VanDerWaalsContact O-CG 3.25Å; Y779-Y783 PolarHBondContact O-N 2.96Å
780	L	88.1	Confident	85.9	Confident	1 Å²	1	52 Å²	52	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-61.1	-41.8	172.8	-80.2	159.5	0	0	0	112.2	D748 M752 T776 Q777 L782 Y783 A784 T790 C792 A840	D748-L780 HydrophobicContact CB-CD1 4.04Å; D748-L780 HydrophobicContact CB-CD2 4.03Å; M752-L780 HydrophobicContact CE-CD1 3.33Å; T776-L780 HydrophobicContact CG2-CD1 3.94Å; T776-L780 HydrophobicContact CG2-CG 4.45Å; T776-L780 WeakPolarHBondContact O-CB 3.37Å; T776-L780 WeakPolarHBondContact O-CD1 3.48Å; T776-L780 VanDerWaalsContact O-CG 3.29Å; T776-L780 WeakPolarHBondContact O-CG 3.28Å; T776-L780 PolarHBondContact O-N 3.06Å; Q777-L780 PolarHBondContact O-N 3.29Å; L780-L782 VanDerWaalsContact C-N 3.31Å; L780-L782 PolarHBondContact O-N 3Å; L780-Y783 PolarHBondContact O-N 3.19Å; L780-A784 WeakPolarHBondContact O-CB 3.34Å; L780-A784 PolarHBondContact O-N 3.44Å; L780-T790 HydrophobicContact CD2-CG2 3.84Å; L780-C792 WeakPolarHBondContact CD1-SG 3.49Å; L780-A840 HydrophobicContact CD1-CB 4.25Å; L780-A840 HydrophobicContact CD2-CB 3.71Å; L780-A840 HydrophobicContact CG-CB 4.04Å
781	N	84	Confident	86.3	Confident	92 Å²	92	48 Å²	48	49%	0.492	25%	0.248	S	C	.	.	H	α-helix	trans	-63.2	-39.6	175.5	-63.5	3.7	0	0	0	111	Q777 N778 Y779 A785	Q777-N781 PolarHBondContact NE2-OD1 2.62Å; Q777-N781 VanDerWaalsContact O-CG 3.25Å; Q777-N781 PolarHBondContact O-N 2.99Å; Q777-N781 PolarHBondContact O-OD1 2.87Å; Q777-N781 VanDerWaalsContact O-OD1 3.08Å; N778-N781 PolarHBondContact O-N 3.09Å; Y779-N781 VanDerWaalsContact C-N 3.33Å; Y779-N781 PolarHBondContact O-N 2.8Å; N781-A785 VanDerWaalsContact O-CB 3.24Å; N781-A785 WeakPolarHBondContact O-CB 3.42Å; N781-A785 PolarHBondContact O-N 3.26Å
782	L	85.8	Confident	86.6	Confident	90 Å²	90	41 Å²	41	47%	0.471	22%	0.218	S	C	.	.	H	α-helix	trans	-66.8	-41	174	-68.1	169.4	0	0	0	112.3	N778 Y779 L780 A785 D786	N778-L782 WeakPolarHBondContact O-CG 3.32Å; N778-L782 PolarHBondContact O-N 3.19Å; N778-L782 VanDerWaalsContact O-N 3.09Å; Y779-L782 HydrophobicContact CD1-CD1 4.22Å; Y779-L782 WeakPolarHBondContact O-CB 3.46Å; Y779-L782 PolarHBondContact O-N 2.7Å; L780-L782 VanDerWaalsContact C-N 3.31Å; L780-L782 PolarHBondContact O-N 3Å; L782-A785 CarbonylContact O-C 3.58Å; L782-A785 PolarHBondContact O-N 3.24Å; L782-D786 PolarHBondContact O-N 2.69Å
783	Y	87.2	Confident	87	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.6	-42.1	178.2	-69.4	5.6	0	0	0	111.1	R424 C425 T426 E431 Y779 L780 A785 D786 G787 L788	R424-Y783 HydrophobicContact CB-CE1 3.89Å; R424-Y783 HydrophobicContact CB-CE2 3.92Å; R424-Y783 HydrophobicContact CG-CE1 4.33Å; C425-Y783 PolarHBondContact O-OH 2.9Å; T426-Y783 HydrophobicContact CG2-CE2 4.17Å; T426-Y783 VanDerWaalsContact CG2-OH 3.3Å; T426-Y783 WeakPolarHBondContact CG2-OH 3.21Å; E431-Y783 WeakPolarHBondContact OE1-CE1 3.44Å; Y779-Y783 WeakPolarHBondContact O-CD1 3.22Å; Y779-Y783 VanDerWaalsContact O-CG 3.25Å; Y779-Y783 PolarHBondContact O-N 2.96Å; L780-Y783 PolarHBondContact O-N 3.19Å; Y783-A785 VanDerWaalsContact C-N 3.33Å; Y783-D786 CarbonylContact O-C 3.51Å; Y783-D786 PolarHBondContact O-N 2.85Å; Y783-G787 PolarHBondContact O-N 3.11Å; Y783-L788 HydrophobicContact CD1-CD1 4.48Å; Y783-L788 HydrophobicContact CG-CD1 4.22Å; Y783-L788 VanDerWaalsContact O-CB 3.3Å; Y783-L788 WeakPolarHBondContact O-CB 3.45Å; Y783-L788 PolarHBondContact O-N 2.87Å
784	A	77.6	Confident	87.3	Confident	9 Å²	9	37.7 Å²	37.7	7%	0.074	20%	0.203	C	C	.	.	H	α-helix	trans	-64.4	-37.3	173.4	0	0	0	0	0	112	L780 G787 T790 E874 N878	L780-A784 WeakPolarHBondContact O-CB 3.34Å; L780-A784 PolarHBondContact O-N 3.44Å; A784-G787 PolarHBondContact O-N 2.85Å; A784-G787 VanDerWaalsContact O-N 3.16Å; A784-T790 HydrophobicContact CB-CG2 4.39Å; A784-E874 HydrophobicContact CB-CB 4.01Å; A784-N878 PolarHBondContact O-ND2 2.86Å
785	A	73.9	Confident	87.5	Confident	52 Å²	52	36.2 Å²	36.2	43%	0.43	19%	0.189	S	C	.	.	H	α-helix	trans	-69.3	-28.3	174.7	0	0	0	0	0	113.7	N781 L782 Y783 G787 N878	N781-A785 VanDerWaalsContact O-CB 3.24Å; N781-A785 WeakPolarHBondContact O-CB 3.42Å; N781-A785 PolarHBondContact O-N 3.26Å; L782-A785 CarbonylContact O-C 3.58Å; L782-A785 PolarHBondContact O-N 3.24Å; Y783-A785 VanDerWaalsContact C-N 3.33Å; A785-G787 PolarHBondContact O-N 3.06Å; A785-N878 VanDerWaalsContact C-ND2 3.33Å; A785-N878 VanDerWaalsContact CA-ND2 3.34Å; A785-N878 WeakPolarHBondContact CA-ND2 3.44Å; A785-N878 PolarHBondContact O-ND2 2.7Å; A785-N878 PolarHBondContact O-OD1 3.35Å
786	D	77.8	Confident	87.6	Confident	84 Å²	84	33.6 Å²	33.6	45%	0.449	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	10.6	171	-69.3	-19.8	0	0	0	112.5	R424 L782 Y783 L788	R424-D786 IonicContact CZ-OD2 2.74Å; R424-D786 IonicContact NH1-OD2 2.73Å; R424-D786 PolarHBondContact NH1-OD2 3.21Å; R424-D786 IonicContact NH2-OD2 3.42Å; R424-D786 PolarHBondContact NH2-OD2 2.89Å; L782-D786 PolarHBondContact O-N 2.69Å; Y783-D786 CarbonylContact O-C 3.51Å; Y783-D786 PolarHBondContact O-N 2.85Å; D786-L788 VanDerWaalsContact C-N 3.31Å; D786-L788 HydrophobicContact CB-CG 4.44Å; D786-L788 PolarHBondContact O-N 3.11Å
787	G	75.6	Confident	87.6	Confident	15 Å²	15	36.8 Å²	36.8	16%	0.155	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	5.1	176.5	0	0	0	0	0	116	Y783 A784 A785	Y783-G787 PolarHBondContact O-N 3.11Å; A784-G787 PolarHBondContact O-N 2.85Å; A784-G787 VanDerWaalsContact O-N 3.16Å; A785-G787 PolarHBondContact O-N 3.06Å
788	L	83.3	Confident	87.7	Confident	5 Å²	5	35.1 Å²	35.1	3%	0.026	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-73.2	140.7	-179.4	-50.9	179.7	0	0	0	111.4	R423 R424 Y783 D786 T790 V843 E844	R423-L788 HydrophobicContact CB-CD1 4.1Å; R423-L788 HydrophobicContact CB-CD2 3.88Å; R423-L788 HydrophobicContact CG-CD2 3.9Å; R424-L788 HydrophobicContact CB-CD1 4.42Å; R424-L788 HydrophobicContact CG-CD1 4.22Å; Y783-L788 HydrophobicContact CD1-CD1 4.48Å; Y783-L788 HydrophobicContact CG-CD1 4.22Å; Y783-L788 VanDerWaalsContact O-CB 3.3Å; Y783-L788 WeakPolarHBondContact O-CB 3.45Å; Y783-L788 PolarHBondContact O-N 2.87Å; D786-L788 VanDerWaalsContact C-N 3.31Å; D786-L788 HydrophobicContact CB-CG 4.44Å; D786-L788 PolarHBondContact O-N 3.11Å; L788-T790 PolarHBondContact O-N 3.09Å; L788-V843 CarbonylContact C-O 3.53Å; L788-V843 WeakPolarHBondContact CA-O 3.5Å; L788-E844 HydrophobicContact CD2-CB 3.89Å
789	R	85	Confident	87.7	Confident	41 Å²	41	32 Å²	32	16%	0.155	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	118	164.4	-64.3	-179	172.6	-149.1	1.4	108.7	D678 V843 D845	D678-R789 VanDerWaalsContact OD1-CD 3.24Å; D678-R789 WeakPolarHBondContact OD1-CD 3.09Å; D678-R789 IonicContact OD1-CZ 3.56Å; D678-R789 IonicContact OD1-NE 3.84Å; D678-R789 IonicContact OD1-NH1 3.64Å; D678-R789 PolarHBondContact OD1-NH1 3.42Å; D678-R789 IonicContact OD2-NH1 2.63Å; D678-R789 PolarHBondContact OD2-NH1 2.9Å; R789-V843 HydrophobicContact CB-CB 4.46Å; R789-V843 WeakPolarHBondContact CB-O 3.42Å; R789-V843 PolarHBondContact N-O 3.44Å; R789-V843 PolarHBondContact O-N 3.38Å; R789-D845 IonicContact CZ-OD2 2.68Å; R789-D845 IonicContact NE-OD2 2.65Å; R789-D845 PolarHBondContact NE-OD2 3.31Å; R789-D845 IonicContact NH2-OD2 2.96Å; R789-D845 PolarHBondContact NH2-OD2 3.26Å
790	T	88.3	Confident	87.7	Confident	6 Å²	6	34.8 Å²	34.8	4%	0.037	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	124.5	-176.8	49.3	0	0	0	0	113.3	D748 L780 A784 L788 T841 K872	D748-T790 WeakPolarHBondContact OD2-CB 3.26Å; D748-T790 PolarHBondContact OD2-OG1 3.43Å; L780-T790 HydrophobicContact CD2-CG2 3.84Å; A784-T790 HydrophobicContact CB-CG2 4.39Å; L788-T790 PolarHBondContact O-N 3.09Å; T790-T841 WeakPolarHBondContact CA-O 3.46Å; T790-K872 PolarHBondContact OG1-NZ 3.34Å
791	L	91.8	Very high	87.9	Confident	40 Å²	40	40.4 Å²	40.4	21%	0.209	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	131.6	173.6	-68.7	172.3	0	0	0	110.9	L682 G746 A840 T841	L682-L791 HydrophobicContact CD1-CD1 4Å; G746-L791 WeakPolarHBondContact O-CA 3.27Å; L791-A840 CarbonylContact O-C 3.49Å; L791-A840 WeakPolarHBondContact O-CA 3.41Å; L791-A840 WeakPolarHBondContact O-CB 3.39Å; L791-T841 PolarHBondContact N-O 3.17Å; L791-T841 PolarHBondContact O-N 3.23Å
792	C	94.4	Very high	88.3	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	146.7	172.2	-77.8	0	0	0	0	111	K745 G746 I751 L780	K745-C792 VanDerWaalsContact CA-O 3.32Å; K745-C792 WeakPolarHBondContact CA-O 3.45Å; G746-C792 PolarHBondContact N-O 3.48Å; G746-C792 PolarHBondContact O-N 3.34Å; I751-C792 HydrophobicContact CB-CB 3.64Å; I751-C792 HydrophobicContact CG1-CB 3.95Å; I751-C792 HydrophobicContact CG2-CB 3.73Å; L780-C792 WeakPolarHBondContact CD1-SG 3.49Å
793	I	95.6	Very high	88.6	Confident	5 Å²	5	36.9 Å²	36.9	3%	0.026	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	127.1	179.1	-57.4	-176.1	0	0	0	109.3	F554 A557 L558 K745 L838 G839 T841	F554-I793 HydrophobicContact CD2-CB 4.2Å; F554-I793 HydrophobicContact CD2-CD1 4.32Å; F554-I793 HydrophobicContact CD2-CG2 4.36Å; F554-I793 HydrophobicContact CE2-CB 4.17Å; F554-I793 HydrophobicContact CE2-CD1 3.85Å; F554-I793 HydrophobicContact CE2-CG1 4.33Å; F554-I793 HydrophobicContact CZ-CD1 4.36Å; A557-I793 HydrophobicContact CB-CG2 3.45Å; A557-I793 VanDerWaalsContact CB-CG2 3.45Å; L558-I793 HydrophobicContact CD2-CD1 3.44Å; L558-I793 VanDerWaalsContact CD2-CD1 3.44Å; L558-I793 HydrophobicContact CG-CD1 3.91Å; K745-I793 HydrophobicContact CB-CG1 4.28Å; I793-L838 HydrophobicContact CG2-CD1 4.31Å; I793-L838 PolarHBondContact O-N 3.25Å; I793-G839 PolarHBondContact N-O 3.38Å; I793-G839 PolarHBondContact O-N 3.33Å; I793-T841 HydrophobicContact CD1-CG2 4.37Å
794	A	95.3	Very high	88.9	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	156.7	-177.4	0	0	0	0	0	111.4	T744 I751 L835 H836	T744-A794 PolarHBondContact N-O 3.31Å; T744-A794 PolarHBondContact O-N 3.43Å; I751-A794 HydrophobicContact CG2-CB 4.03Å; A794-L835 HydrophobicContact CB-CB 3.86Å; A794-L835 HydrophobicContact CB-CD1 4.11Å; A794-H836 CarbonylContact C-O 3.48Å; A794-H836 VanDerWaalsContact CA-O 3.23Å; A794-H836 WeakPolarHBondContact CA-O 3.26Å; A794-H836 WeakPolarHBondContact CB-O 3.32Å
795	K	94.3	Very high	89.6	Confident	29 Å²	29	46 Å²	46	13%	0.126	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	160.7	176.6	68.9	171.9	-179.3	175	0	113	D553 T741 V742 Y743 H836 L838	D553-K795 HydrophobicContact CB-CD 4.13Å; D553-K795 WeakPolarHBondContact OD1-CD 3.47Å; D553-K795 IonicContact OD1-NZ 2.68Å; D553-K795 PolarHBondContact OD1-NZ 2.9Å; D553-K795 IonicContact OD2-NZ 2.71Å; D553-K795 PolarHBondContact OD2-NZ 2.94Å; T741-K795 HydrophobicContact CG2-CB 4.09Å; T741-K795 HydrophobicContact CG2-CD 4.49Å; V742-K795 CarbonylContact O-C 3.49Å; V742-K795 WeakPolarHBondContact O-CA 3.44Å; Y743-K795 HydrophobicContact CD1-CB 3.77Å; Y743-K795 HydrophobicContact CE1-CB 3.87Å; Y743-K795 HydrophobicContact CE1-CD 4.33Å; K795-H836 HydrophobicContact CG-CB 4.4Å; K795-H836 PolarHBondContact N-O 3.49Å; K795-H836 WeakPolarHBondContact O-CB 3.29Å; K795-H836 PolarHBondContact O-N 3.21Å; K795-L838 HydrophobicContact CB-CD1 3.98Å; K795-L838 HydrophobicContact CB-CG 4.44Å; K795-L838 HydrophobicContact CD-CD1 4.3Å; K795-L838 HydrophobicContact CD-CD2 3.96Å; K795-L838 HydrophobicContact CD-CG 4.46Å; K795-L838 HydrophobicContact CG-CD1 4.06Å; K795-L838 HydrophobicContact CG-CD2 4Å; K795-L838 HydrophobicContact CG-CG 4.07Å
796	K	93.9	Very high	90.6	Very high	39 Å²	39	44.5 Å²	44.5	17%	0.17	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	118.2	169.3	176.1	179.7	173.7	-173.3	0	109.8	V742 L798 L831 T833 L835	V742-K796 HydrophobicContact CB-CB 4.39Å; V742-K796 PolarHBondContact N-O 2.86Å; V742-K796 PolarHBondContact O-N 2.74Å; K796-L798 HydrophobicContact CD-CD2 4.27Å; K796-L798 HydrophobicContact CG-CD2 4.26Å; K796-L831 WeakPolarHBondContact CD-O 2.99Å; K796-L831 PolarHBondContact NZ-O 2.98Å; K796-T833 WeakPolarHBondContact CD-O 3.32Å; K796-T833 WeakPolarHBondContact CE-O 3.36Å; K796-T833 PolarHBondContact NZ-O 2.91Å; K796-L835 HydrophobicContact CB-CD2 3.77Å; K796-L835 HydrophobicContact CD-CD2 4.13Å
797	T	91.8	Very high	91.2	Very high	67 Å²	67	42.7 Å²	42.7	41%	0.411	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	140.8	170.3	-49	0	0	0	0	109.4	Q739 I740	Q739-T797 HydrophobicContact CB-CG2 4.13Å; Q739-T797 HydrophobicContact CG-CG2 4.46Å; I740-T797 CarbonylContact O-C 3.53Å; I740-T797 WeakPolarHBondContact O-CA 3.2Å
798	L	92.5	Very high	91.9	Very high	18 Å²	18	47.6 Å²	47.6	9%	0.094	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	152	178.4	-64.9	175.8	0	0	0	110.7	I740 V742 K796 E802 L831	I740-L798 HydrophobicContact CB-CB 4.44Å; I740-L798 HydrophobicContact CG2-CB 4.25Å; I740-L798 HydrophobicContact CG2-CD1 4.41Å; I740-L798 PolarHBondContact O-N 3.37Å; V742-L798 HydrophobicContact CG2-CD1 3.57Å; V742-L798 HydrophobicContact CG2-CG 4.04Å; K796-L798 HydrophobicContact CD-CD2 4.27Å; K796-L798 HydrophobicContact CG-CD2 4.26Å; L798-E802 HydrophobicContact CB-CB 4.44Å; L798-E802 HydrophobicContact CD2-CB 4.47Å; L798-L831 HydrophobicContact CD1-CD1 3.71Å
799	S	93.3	Very high	92.2	Very high	41 Å²	41	54 Å²	54	29%	0.287	26%	0.256	S	S	.	.			trans	-73.1	159.4	163.8	103.5	0	0	0	0	111.3	E801 E802 Y803	S799-E801 WeakPolarHBondContact CB-OE2 3.48Å; S799-E801 PolarHBondContact O-N 2.81Å; S799-E801 PolarHBondContact OG-N 2.99Å; S799-E801 PolarHBondContact OG-OE2 3.45Å; S799-E802 PolarHBondContact N-OE2 2.85Å; S799-E802 PolarHBondContact O-N 2.95Å; S799-E802 WeakPolarHBondContact OG-CG 3.23Å; S799-E802 PolarHBondContact OG-N 3.36Å; S799-Y803 PolarHBondContact O-N 2.88Å
800	K	91.8	Very high	92.3	Very high	97 Å²	97	52.5 Å²	52.5	42%	0.422	25%	0.251	S	S	.	.	H	α-helix	trans	-64.7	-33.7	177	-66.2	-172.3	173.2	-172.3	0	111.4	D738 I740 A804	D738-K800 WeakPolarHBondContact OD1-CE 3.25Å; D738-K800 IonicContact OD1-NZ 2.74Å; D738-K800 PolarHBondContact OD1-NZ 2.95Å; D738-K800 WeakPolarHBondContact OD2-CE 3.46Å; D738-K800 IonicContact OD2-NZ 3.15Å; D738-K800 PolarHBondContact OD2-NZ 2.88Å; I740-K800 HydrophobicContact CD1-CG 4.15Å; K800-A804 WeakPolarHBondContact O-CB 3.35Å; K800-A804 PolarHBondContact O-N 2.96Å
801	E	92.5	Very high	92.1	Very high	118 Å²	118	56 Å²	56	55%	0.551	27%	0.269	S	S	*	.	H	α-helix	trans	-75.3	-32.6	177.3	-47.5	69.8	-148.8	0	0	112.1	S799 R805	S799-E801 WeakPolarHBondContact CB-OE2 3.48Å; S799-E801 PolarHBondContact O-N 2.81Å; S799-E801 PolarHBondContact OG-N 2.99Å; S799-E801 PolarHBondContact OG-OE2 3.45Å; E801-R805 WeakPolarHBondContact O-CB 3.44Å; E801-R805 VanDerWaalsContact O-CG 3.27Å; E801-R805 WeakPolarHBondContact O-CG 3.49Å; E801-R805 PolarHBondContact O-N 2.58Å; E801-R805 PolarHBondContact O-NE 3.06Å
802	E	92.1	Very high	91.7	Very high	90 Å²	90	58.9 Å²	58.9	42%	0.421	28%	0.281	S	S	.	.	H	α-helix	trans	-65.3	-48.7	168.9	-73.6	178.7	145.2	0	0	111.5	L798 S799 R805 W806	L798-E802 HydrophobicContact CB-CB 4.44Å; L798-E802 HydrophobicContact CD2-CB 4.47Å; S799-E802 PolarHBondContact N-OE2 2.85Å; S799-E802 PolarHBondContact O-N 2.95Å; S799-E802 WeakPolarHBondContact OG-CG 3.23Å; S799-E802 PolarHBondContact OG-N 3.36Å; E802-R805 PolarHBondContact O-N 2.9Å; E802-W806 WeakPolarHBondContact O-CB 3.36Å; E802-W806 PolarHBondContact O-N 3.45Å
803	Y	93.3	Very high	91.4	Very high	19 Å²	19	59.1 Å²	59.1	8%	0.075	28%	0.283	C	S	.	.	H	α-helix	trans	-61.4	-46.5	178.2	179.7	-108	0	0	0	112	L716 V731 I740 S799 R805 W806 L807	L716-Y803 HydrophobicContact CB-CE1 4.23Å; L716-Y803 HydrophobicContact CB-CE2 4.36Å; L716-Y803 HydrophobicContact CD1-CD1 4.39Å; L716-Y803 HydrophobicContact CD1-CE1 4.15Å; L716-Y803 PolarHBondContact O-OH 2.65Å; L716-Y803 VanDerWaalsContact O-OH 3.11Å; V731-Y803 HydrophobicContact CB-CE2 4.49Å; V731-Y803 HydrophobicContact CG1-CD2 3.99Å; V731-Y803 HydrophobicContact CG1-CE2 3.85Å; I740-Y803 HydrophobicContact CD1-CD1 3.89Å; I740-Y803 HydrophobicContact CD1-CG 3.9Å; I740-Y803 HydrophobicContact CG2-CD2 4.36Å; I740-Y803 HydrophobicContact CG2-CG 4.3Å; S799-Y803 PolarHBondContact O-N 2.88Å; Y803-R805 PolarHBondContact O-N 3.02Å; Y803-W806 HydrophobicContact CD2-CE3 4.15Å; Y803-W806 AromaticContact CE2-CE3 3.81Å; Y803-W806 HydrophobicContact CE2-CE3 3.81Å; Y803-W806 AromaticContact CE2-CZ3 3.95Å; Y803-W806 HydrophobicContact CE2-CZ3 3.95Å; Y803-W806 PolarHBondContact O-N 3.23Å; Y803-W806 VanDerWaalsContact O-N 3.17Å; Y803-L807 HydrophobicContact CE1-CB 4.43Å; Y803-L807 HydrophobicContact CE1-CD2 3.97Å; Y803-L807 WeakPolarHBondContact O-CB 3.11Å; Y803-L807 PolarHBondContact O-N 3.17Å
804	A	92.8	Very high	90.5	Very high	55 Å²	55	59.7 Å²	59.7	46%	0.455	29%	0.286	S	S	.	.	H	α-helix	trans	-60.3	-44.5	178.5	0	0	0	0	0	112.9	K800 W806 L807 Q808	K800-A804 WeakPolarHBondContact O-CB 3.35Å; K800-A804 PolarHBondContact O-N 2.96Å; A804-W806 VanDerWaalsContact C-N 3.3Å; A804-W806 PolarHBondContact O-N 2.88Å; A804-L807 PolarHBondContact O-N 2.81Å; A804-Q808 PolarHBondContact O-N 2.66Å; A804-Q808 VanDerWaalsContact O-N 3.12Å
805	R	93	Very high	89.5	Confident	146 Å²	146	64.1 Å²	64.1	55%	0.551	31%	0.313	S	S	*	.	H	α-helix	trans	-66.3	-30.4	176.1	-74.5	177.7	-66.1	155.7	-0.6	113.1	E801 E802 Y803 R809	E801-R805 WeakPolarHBondContact O-CB 3.44Å; E801-R805 VanDerWaalsContact O-CG 3.27Å; E801-R805 WeakPolarHBondContact O-CG 3.49Å; E801-R805 PolarHBondContact O-N 2.58Å; E801-R805 PolarHBondContact O-NE 3.06Å; E802-R805 PolarHBondContact O-N 2.9Å; Y803-R805 PolarHBondContact O-N 3.02Å; R805-R809 WeakPolarHBondContact O-CG 3.48Å
806	W	94.3	Very high	88.7	Confident	20 Å²	20	63.7 Å²	63.7	8%	0.076	32%	0.315	C	S	.	.	H	α-helix	trans	-72.7	-49.2	173.2	176.6	82.2	0	0	0	111.4	H717 L719 E802 Y803 A804 Q808 R809 H810 S827 L831	H717-W806 HydrophobicContact CB-CH2 4.42Å; H717-W806 HydrophobicContact CB-CZ3 4.23Å; H717-W806 AromaticContact CD2-CH2 3.67Å; H717-W806 AromaticContact CG-CH2 3.94Å; L719-W806 HydrophobicContact CD1-CZ2 4.25Å; L719-W806 HydrophobicContact CD2-CH2 4.28Å; L719-W806 HydrophobicContact CD2-CZ2 4.3Å; E802-W806 WeakPolarHBondContact O-CB 3.36Å; E802-W806 PolarHBondContact O-N 3.45Å; Y803-W806 HydrophobicContact CD2-CE3 4.15Å; Y803-W806 AromaticContact CE2-CE3 3.81Å; Y803-W806 HydrophobicContact CE2-CE3 3.81Å; Y803-W806 AromaticContact CE2-CZ3 3.95Å; Y803-W806 HydrophobicContact CE2-CZ3 3.95Å; Y803-W806 PolarHBondContact O-N 3.23Å; Y803-W806 VanDerWaalsContact O-N 3.17Å; A804-W806 VanDerWaalsContact C-N 3.3Å; A804-W806 PolarHBondContact O-N 2.88Å; W806-Q808 PolarHBondContact O-N 2.96Å; W806-R809 CarbonylContact O-C 3.52Å; W806-R809 PolarHBondContact O-N 3.49Å; W806-R809 VanDerWaalsContact O-N 3.12Å; W806-H810 HydrophobicContact CD2-CB 4.46Å; W806-H810 HydrophobicContact CE3-CB 4.46Å; W806-H810 HydrophobicContact CH2-CB 3.97Å; W806-H810 AromaticContact CH2-CG 3.62Å; W806-H810 AromaticContact CH2-ND1 3.61Å; W806-H810 HydrophobicContact CZ2-CB 3.99Å; W806-H810 AromaticContact CZ2-CE1 3.95Å; W806-H810 AromaticContact CZ2-CG 3.66Å; W806-H810 AromaticContact CZ2-ND1 3.24Å; W806-H810 WeakPolarHBondContact CZ2-ND1 3.42Å; W806-H810 HydrophobicContact CZ3-CB 4.21Å; W806-H810 PolarHBondContact O-N 2.82Å; W806-S827 PolarHBondContact NE1-O 3.38Å; W806-S827 PolarHBondContact NE1-OG 2.82Å; W806-L831 HydrophobicContact CD2-CD1 3.85Å; W806-L831 HydrophobicContact CE3-CD1 4.3Å; W806-L831 HydrophobicContact CG-CD1 4.06Å; W806-L831 HydrophobicContact CH2-CD2 4.37Å; W806-L831 HydrophobicContact CZ2-CB 4.35Å; W806-L831 HydrophobicContact CZ2-CD1 4.47Å; W806-L831 HydrophobicContact CZ2-CD2 4.03Å
807	L	91.4	Very high	87.4	Confident	46 Å²	46	66.4 Å²	66.4	24%	0.241	33%	0.33	C	S	.	.	H	α-helix	trans	-58.2	-44.9	-177.1	178.2	61.7	0	0	0	111.9	Y803 A804 R809 H810 L811	Y803-L807 HydrophobicContact CE1-CB 4.43Å; Y803-L807 HydrophobicContact CE1-CD2 3.97Å; Y803-L807 WeakPolarHBondContact O-CB 3.11Å; Y803-L807 PolarHBondContact O-N 3.17Å; A804-L807 PolarHBondContact O-N 2.81Å; L807-R809 VanDerWaalsContact C-N 3.33Å; L807-R809 PolarHBondContact O-N 2.75Å; L807-H810 WeakPolarHBondContact O-CB 3.25Å; L807-H810 PolarHBondContact O-N 3.32Å; L807-H810 VanDerWaalsContact O-N 3.1Å; L807-L811 HydrophobicContact CD1-CD1 4.24Å; L807-L811 HydrophobicContact CD1-CG 4.24Å; L807-L811 HydrophobicContact CG-CD1 4.1Å; L807-L811 WeakPolarHBondContact O-CG 3.34Å; L807-L811 PolarHBondContact O-N 3.38Å
808	Q	89.3	Confident	86.6	Confident	118 Å²	118	71.1 Å²	71.1	55%	0.551	35%	0.347	S	S	*	.	H	α-helix	trans	-54.1	-50.4	175.4	-173.7	-166.1	-31.4	0	0	111.4	A804 W806 H810 L811 E812	A804-Q808 PolarHBondContact O-N 2.66Å; A804-Q808 VanDerWaalsContact O-N 3.12Å; W806-Q808 PolarHBondContact O-N 2.96Å; Q808-H810 VanDerWaalsContact C-N 3.28Å; Q808-H810 PolarHBondContact O-N 3.09Å; Q808-L811 PolarHBondContact O-N 3.14Å; Q808-E812 WeakPolarHBondContact CG-OE1 3.48Å; Q808-E812 PolarHBondContact NE2-OE1 2.84Å; Q808-E812 WeakPolarHBondContact O-CG 3.37Å; Q808-E812 PolarHBondContact O-N 3.22Å
809	R	88.6	Confident	85.9	Confident	140 Å²	140	72 Å²	72	53%	0.528	36%	0.361	S	S	.	.	H	α-helix	trans	-68.7	-26.2	179.3	-67.9	174.2	175.2	-178.3	-1.7	113.1	R805 W806 L807 A813	R805-R809 WeakPolarHBondContact O-CG 3.48Å; W806-R809 CarbonylContact O-C 3.52Å; W806-R809 PolarHBondContact O-N 3.49Å; W806-R809 VanDerWaalsContact O-N 3.12Å; L807-R809 VanDerWaalsContact C-N 3.33Å; L807-R809 PolarHBondContact O-N 2.75Å; R809-A813 WeakPolarHBondContact O-CB 3.49Å; R809-A813 PolarHBondContact O-N 3.32Å; R809-A813 VanDerWaalsContact O-N 3.09Å
810	H	88.6	Confident	85.3	Confident	8 Å²	8	71.8 Å²	71.8	4%	0.037	35%	0.354	C	S	.	.	H	α-helix	trans	-70.2	-47.3	172.9	-161.4	81.5	0	0	0	110.9	H717 W806 L807 Q808 E812 A813 E814 S827	H717-H810 AromaticContact NE2-CD2 3.4Å; H717-H810 PolarHBondContact NE2-CD2 3.07Å; H717-H810 AromaticContact NE2-NE2 3.77Å; W806-H810 HydrophobicContact CD2-CB 4.46Å; W806-H810 HydrophobicContact CE3-CB 4.46Å; W806-H810 HydrophobicContact CH2-CB 3.97Å; W806-H810 AromaticContact CH2-CG 3.62Å; W806-H810 AromaticContact CH2-ND1 3.61Å; W806-H810 HydrophobicContact CZ2-CB 3.99Å; W806-H810 AromaticContact CZ2-CE1 3.95Å; W806-H810 AromaticContact CZ2-CG 3.66Å; W806-H810 AromaticContact CZ2-ND1 3.24Å; W806-H810 WeakPolarHBondContact CZ2-ND1 3.42Å; W806-H810 HydrophobicContact CZ3-CB 4.21Å; W806-H810 PolarHBondContact O-N 2.82Å; L807-H810 WeakPolarHBondContact O-CB 3.25Å; L807-H810 PolarHBondContact O-N 3.32Å; L807-H810 VanDerWaalsContact O-N 3.1Å; Q808-H810 VanDerWaalsContact C-N 3.28Å; Q808-H810 PolarHBondContact O-N 3.09Å; H810-E812 VanDerWaalsContact C-N 3.32Å; H810-E812 PolarHBondContact O-N 2.94Å; H810-A813 CarbonylContact O-C 3.54Å; H810-A813 WeakPolarHBondContact O-CA 3.47Å; H810-A813 WeakPolarHBondContact O-CB 3.26Å; H810-A813 PolarHBondContact O-N 3.33Å; H810-E814 IonicContact CD2-OE1 3.58Å; H810-E814 IonicContact CD2-OE2 2.76Å; H810-E814 IonicContact NE2-OE1 2.7Å; H810-E814 WeakPolarHBondContact O-CG 3.37Å; H810-E814 PolarHBondContact O-N 3.48Å; H810-S827 PolarHBondContact ND1-OG 3.16Å
811	L	83.4	Confident	84.7	Confident	80 Å²	80	73.2 Å²	73.2	42%	0.419	36%	0.362	S	S	.	.	H	α-helix	trans	-61.3	-39.1	175.4	-65.2	167.1	0	0	0	112.1	L807 Q808 E814 T815	L807-L811 HydrophobicContact CD1-CD1 4.24Å; L807-L811 HydrophobicContact CD1-CG 4.24Å; L807-L811 HydrophobicContact CG-CD1 4.1Å; L807-L811 WeakPolarHBondContact O-CG 3.34Å; L807-L811 PolarHBondContact O-N 3.38Å; Q808-L811 PolarHBondContact O-N 3.14Å; L811-E814 PolarHBondContact O-N 3.24Å; L811-T815 WeakPolarHBondContact O-CB 3.45Å; L811-T815 WeakPolarHBondContact O-CG2 3.16Å; L811-T815 PolarHBondContact O-N 2.99Å; L811-T815 PolarHBondContact O-OG1 3.08Å
812	E	84.6	Confident	84.4	Confident	100 Å²	100	74.9 Å²	74.9	47%	0.467	37%	0.37	S	S	.	.	H	α-helix	trans	-59.7	-42.2	170.3	-71.6	164.9	-174.2	0	0	112.1	Q808 H810 T815 A816	Q808-E812 WeakPolarHBondContact CG-OE1 3.48Å; Q808-E812 PolarHBondContact NE2-OE1 2.84Å; Q808-E812 WeakPolarHBondContact O-CG 3.37Å; Q808-E812 PolarHBondContact O-N 3.22Å; H810-E812 VanDerWaalsContact C-N 3.32Å; H810-E812 PolarHBondContact O-N 2.94Å; E812-T815 PolarHBondContact O-OG1 2.79Å; E812-A816 PolarHBondContact O-N 2.65Å
813	A	86.1	Confident	84.2	Confident	5 Å²	5	74.1 Å²	74.1	4%	0.041	37%	0.368	C	S	.	.	H	α-helix	trans	-70.8	-37.3	177	0	0	0	0	0	113.3	R809 H810 A816 R820 L823 L824	R809-A813 WeakPolarHBondContact O-CB 3.49Å; R809-A813 PolarHBondContact O-N 3.32Å; R809-A813 VanDerWaalsContact O-N 3.09Å; H810-A813 CarbonylContact O-C 3.54Å; H810-A813 WeakPolarHBondContact O-CA 3.47Å; H810-A813 WeakPolarHBondContact O-CB 3.26Å; H810-A813 PolarHBondContact O-N 3.33Å; A813-A816 WeakPolarHBondContact O-CB 3.32Å; A813-A816 PolarHBondContact O-N 2.82Å; A813-R820 WeakPolarHBondContact O-CG 3.45Å; A813-L823 HydrophobicContact CB-CB 3.71Å; A813-L824 HydrophobicContact CB-CD2 3.8Å; A813-L824 HydrophobicContact CB-CG 4.3Å
814	E	77.6	Confident	83.9	Confident	18 Å²	18	74.9 Å²	74.9	8%	0.084	37%	0.373	C	S	.	.	H	α-helix	trans	-70.2	-33.8	176.9	-70.6	-175.6	120.9	0	0	112.7	R196 H717 H810 L811 A816 R820 L824	R196-E814 IonicContact CZ-OE1 2.72Å; R196-E814 IonicContact CZ-OE2 3.9Å; R196-E814 VanDerWaalsContact NH1-CD 3.29Å; R196-E814 IonicContact NH1-OE1 2.95Å; R196-E814 IonicContact NH1-OE2 3.65Å; R196-E814 PolarHBondContact NH1-OE2 3.32Å; R196-E814 IonicContact NH2-OE1 3.82Å; R196-E814 PolarHBondContact NH2-OE1 3.16Å; R196-E814 IonicContact NH2-OE2 2.99Å; R196-E814 PolarHBondContact NH2-OE2 3.35Å; H717-E814 IonicContact NE2-OE1 3.36Å; H717-E814 IonicContact NE2-OE2 3.59Å; H810-E814 IonicContact CD2-OE1 3.58Å; H810-E814 IonicContact CD2-OE2 2.76Å; H810-E814 IonicContact NE2-OE1 2.7Å; H810-E814 WeakPolarHBondContact O-CG 3.37Å; H810-E814 PolarHBondContact O-N 3.48Å; L811-E814 PolarHBondContact O-N 3.24Å; E814-A816 VanDerWaalsContact C-N 3.3Å; E814-R820 WeakPolarHBondContact O-CD 3.37Å; E814-R820 PolarHBondContact O-NH1 3.43Å; E814-L824 HydrophobicContact CB-CD2 4.39Å; E814-L824 HydrophobicContact CG-CD2 3.53Å
815	T	74.4	Confident	83.7	Confident	93 Å²	93	76.2 Å²	76.2	57%	0.571	37%	0.369	S	S	*	.	S	Bend	trans	-82.9	-6.1	177.5	52.5	0	0	0	0	113.3	L811 E812 I817	L811-T815 WeakPolarHBondContact O-CB 3.45Å; L811-T815 WeakPolarHBondContact O-CG2 3.16Å; L811-T815 PolarHBondContact O-N 2.99Å; L811-T815 PolarHBondContact O-OG1 3.08Å; E812-T815 PolarHBondContact O-OG1 2.79Å; T815-I817 PolarHBondContact O-N 2.85Å
816	A	77.6	Confident	83.5	Confident	19 Å²	19	73.2 Å²	73.2	16%	0.157	36%	0.361	C	S	.	.			trans	-64.2	128.3	179.9	0	0	0	0	0	112.9	E812 A813 E814 R820 L823	E812-A816 PolarHBondContact O-N 2.65Å; A813-A816 WeakPolarHBondContact O-CB 3.32Å; A813-A816 PolarHBondContact O-N 2.82Å; E814-A816 VanDerWaalsContact C-N 3.3Å; A816-R820 HydrophobicContact CB-CB 4.26Å; A816-R820 WeakPolarHBondContact O-CB 3.41Å; A816-L823 HydrophobicContact CB-CD1 3.61Å
817	I	66.9	Low	83.4	Confident	96 Å²	96	72.4 Å²	72.4	49%	0.492	36%	0.359	S	S	.	.	S	Bend	trans	-81.3	-25.3	-179	-66.8	178.5	0	0	0	111.9	Y229 T815	Y229-I817 HydrophobicContact CE1-CB 4.48Å; Y229-I817 HydrophobicContact CE1-CG1 4.19Å; Y229-I817 HydrophobicContact CE1-CG2 3.96Å; Y229-I817 WeakPolarHBondContact OH-CG2 3.11Å; Y229-I817 PolarHBondContact OH-O 2.66Å; T815-I817 PolarHBondContact O-N 2.85Å
818	Q	74.8	Confident	83.4	Confident	166 Å²	166	70.4 Å²	70.4	78%	0.776	35%	0.348	S	S	*	.	S	Bend	trans	-133.3	145.6	178.6	-57.5	-177.9	28	0	0	108.4	R820	Q818-R820 PolarHBondContact O-N 3.28Å
819	G	77.7	Confident	83.5	Confident	36 Å²	36	67.7 Å²	67.7	37%	0.371	34%	0.338	S	S	.	.	S	Bend	trans	69.6	3.4	179.8	0	0	0	0	0	116.3	E821 E822 L823	G819-E821 VanDerWaalsContact C-N 3.26Å; G819-E821 PolarHBondContact O-N 3.45Å; G819-E821 VanDerWaalsContact O-N 3.11Å; G819-E822 WeakPolarHBondContact O-CB 3.47Å; G819-E822 PolarHBondContact O-N 2.84Å; G819-L823 WeakPolarHBondContact O-CG 3.38Å; G819-L823 PolarHBondContact O-N 2.96Å
820	R	81.4	Confident	83.5	Confident	38 Å²	38	66.3 Å²	66.3	14%	0.143	33%	0.332	C	S	.	.	H	α-helix	trans	-47	-43.9	-177.5	167.4	169.2	160.8	154.5	-5.9	114	H241 E243 A813 E814 A816 Q818 E822 L823 L824	H241-R820 PolarHBondContact CD2-NH1 3.37Å; H241-R820 PolarHBondContact NE2-NH1 3.06Å; E243-R820 IonicContact OE2-NH2 2.85Å; A813-R820 WeakPolarHBondContact O-CG 3.45Å; E814-R820 WeakPolarHBondContact O-CD 3.37Å; E814-R820 PolarHBondContact O-NH1 3.43Å; A816-R820 HydrophobicContact CB-CB 4.26Å; A816-R820 WeakPolarHBondContact O-CB 3.41Å; Q818-R820 PolarHBondContact O-N 3.28Å; R820-E822 VanDerWaalsContact C-N 3.33Å; R820-E822 PolarHBondContact O-N 3.28Å; R820-L823 PolarHBondContact O-N 3Å; R820-L824 HydrophobicContact CG-CD1 3.54Å; R820-L824 HydrophobicContact CG-CG 4.01Å; R820-L824 VanDerWaalsContact O-CB 3.3Å; R820-L824 WeakPolarHBondContact O-CB 3.23Å; R820-L824 VanDerWaalsContact O-CG 3.24Å; R820-L824 WeakPolarHBondContact O-CG 3.44Å; R820-L824 PolarHBondContact O-N 3.25Å
821	E	79	Confident	83.7	Confident	127 Å²	127	66.1 Å²	66.1	59%	0.593	33%	0.331	S	S	*	.	H	α-helix	trans	-62.6	-39.3	-179	-72.4	157.3	-170.4	0	0	112	R227 G819 F825	R227-E821 IonicContact CZ-OE1 3Å; R227-E821 IonicContact CZ-OE2 3.56Å; R227-E821 IonicContact NE-OE1 2.85Å; R227-E821 IonicContact NH2-OE1 2.87Å; R227-E821 PolarHBondContact NH2-OE1 3.07Å; R227-E821 IonicContact NH2-OE2 2.7Å; R227-E821 PolarHBondContact NH2-OE2 3.37Å; G819-E821 VanDerWaalsContact C-N 3.26Å; G819-E821 PolarHBondContact O-N 3.45Å; G819-E821 VanDerWaalsContact O-N 3.11Å; E821-F825 WeakPolarHBondContact O-CB 3.21Å; E821-F825 PolarHBondContact O-N 3.46Å; E821-F825 VanDerWaalsContact O-N 3.12Å
822	E	85.8	Confident	84.1	Confident	153 Å²	153	62.3 Å²	62.3	72%	0.715	31%	0.311	S	S	*	.	H	α-helix	trans	-73	-42.9	176	-63.8	166.4	-169.5	0	0	111.6	G819 R820 F825 E826	G819-E822 WeakPolarHBondContact O-CB 3.47Å; G819-E822 PolarHBondContact O-N 2.84Å; R820-E822 VanDerWaalsContact C-N 3.33Å; R820-E822 PolarHBondContact O-N 3.28Å; E822-F825 PolarHBondContact O-N 2.8Å; E822-E826 PolarHBondContact O-N 2.98Å
823	L	88.3	Confident	84.4	Confident	73 Å²	73	59.7 Å²	59.7	38%	0.382	30%	0.302	S	S	.	.	H	α-helix	trans	-65.9	-37.9	178.9	-66.7	170.3	0	0	0	112.3	A813 A816 G819 R820 S827	A813-L823 HydrophobicContact CB-CB 3.71Å; A816-L823 HydrophobicContact CB-CD1 3.61Å; G819-L823 WeakPolarHBondContact O-CG 3.38Å; G819-L823 PolarHBondContact O-N 2.96Å; R820-L823 PolarHBondContact O-N 3Å; L823-S827 VanDerWaalsContact O-CB 3.27Å; L823-S827 WeakPolarHBondContact O-CB 3.32Å; L823-S827 PolarHBondContact O-N 3.3Å
824	L	86.6	Confident	84.7	Confident	35 Å²	35	64 Å²	64	18%	0.183	33%	0.325	C	S	.	.	H	α-helix	trans	-70.4	-38.3	173.8	-71	176.8	0	0	0	111.9	A813 E814 R820 S827 A828	A813-L824 HydrophobicContact CB-CD2 3.8Å; A813-L824 HydrophobicContact CB-CG 4.3Å; E814-L824 HydrophobicContact CB-CD2 4.39Å; E814-L824 HydrophobicContact CG-CD2 3.53Å; R820-L824 HydrophobicContact CG-CD1 3.54Å; R820-L824 HydrophobicContact CG-CG 4.01Å; R820-L824 VanDerWaalsContact O-CB 3.3Å; R820-L824 WeakPolarHBondContact O-CB 3.23Å; R820-L824 VanDerWaalsContact O-CG 3.24Å; R820-L824 WeakPolarHBondContact O-CG 3.44Å; R820-L824 PolarHBondContact O-N 3.25Å; L824-S827 PolarHBondContact O-N 2.84Å; L824-A828 WeakPolarHBondContact O-CB 3.44Å; L824-A828 PolarHBondContact O-N 2.9Å
825	F	87.8	Confident	85.3	Confident	84 Å²	84	63.2 Å²	63.2	37%	0.368	32%	0.321	S	S	.	.	H	α-helix	trans	-61.2	-45.1	172.9	-176.7	-83.5	0	0	0	111.4	R725 E821 E822 A828 L829	R725-F825 HydrophobicContact CG-CD2 3.74Å; R725-F825 HydrophobicContact CG-CE2 3.83Å; E821-F825 WeakPolarHBondContact O-CB 3.21Å; E821-F825 PolarHBondContact O-N 3.46Å; E821-F825 VanDerWaalsContact O-N 3.12Å; E822-F825 PolarHBondContact O-N 2.8Å; F825-A828 PolarHBondContact O-N 3.02Å; F825-L829 HydrophobicContact CE1-CD2 4.43Å; F825-L829 WeakPolarHBondContact O-CB 3.07Å; F825-L829 PolarHBondContact O-N 2.8Å
826	E	89.8	Confident	86.2	Confident	83 Å²	83	61.9 Å²	61.9	39%	0.388	31%	0.308	S	S	.	.	H	α-helix	trans	-65.7	-42.1	176.5	-154.8	-149.6	170	0	0	111.8	E822 L829 R830	E822-E826 PolarHBondContact O-N 2.98Å; E826-L829 PolarHBondContact O-N 2.82Å; E826-R830 VanDerWaalsContact CD-NE 3.34Å; E826-R830 VanDerWaalsContact O-CG 3.28Å; E826-R830 WeakPolarHBondContact O-CG 3.48Å; E826-R830 PolarHBondContact O-N 3.26Å; E826-R830 IonicContact OE1-CZ 3.84Å; E826-R830 IonicContact OE1-NE 2.79Å; E826-R830 PolarHBondContact OE1-NE 3.39Å; E826-R830 IonicContact OE1-NH2 3.15Å; E826-R830 PolarHBondContact OE1-NH2 3.12Å; E826-R830 IonicContact OE2-CZ 3.8Å; E826-R830 IonicContact OE2-NE 1.84Å; E826-R830 IonicContact OE2-NH1 3.72Å; E826-R830 IonicContact OE2-NH2 2.62Å; E826-R830 PolarHBondContact OE2-NH2 3.36Å
827	S	91.9	Very high	86.9	Confident	3 Å²	3	61 Å²	61	2%	0.021	30%	0.301	C	S	.	.	H	α-helix	trans	-60.3	-45.8	176	-173.6	0	0	0	0	111.8	W806 H810 L823 L824 R830 L831	W806-S827 PolarHBondContact NE1-O 3.38Å; W806-S827 PolarHBondContact NE1-OG 2.82Å; H810-S827 PolarHBondContact ND1-OG 3.16Å; L823-S827 VanDerWaalsContact O-CB 3.27Å; L823-S827 WeakPolarHBondContact O-CB 3.32Å; L823-S827 PolarHBondContact O-N 3.3Å; L824-S827 PolarHBondContact O-N 2.84Å; S827-R830 PolarHBondContact O-N 3.07Å; S827-L831 PolarHBondContact O-N 3.27Å
828	A	91.1	Very high	88.1	Confident	3 Å²	3	56.4 Å²	56.4	3%	0.025	28%	0.277	C	S	.	.	H	α-helix	trans	-61.8	-45.3	174	0	0	0	0	0	111.9	L719 L824 F825 R830 L831 E832	L719-A828 HydrophobicContact CD1-CB 3.87Å; L824-A828 WeakPolarHBondContact O-CB 3.44Å; L824-A828 PolarHBondContact O-N 2.9Å; F825-A828 PolarHBondContact O-N 3.02Å; A828-R830 VanDerWaalsContact C-N 3.32Å; A828-R830 PolarHBondContact O-N 3.47Å; A828-L831 WeakPolarHBondContact O-CB 3.44Å; A828-L831 PolarHBondContact O-N 3.1Å; A828-L831 VanDerWaalsContact O-N 3.09Å; A828-E832 WeakPolarHBondContact O-CB 3.5Å; A828-E832 VanDerWaalsContact O-CG 3.23Å; A828-E832 WeakPolarHBondContact O-CG 3.46Å; A828-E832 PolarHBondContact O-N 2.96Å
829	L	90.9	Very high	89.1	Confident	62 Å²	62	48.5 Å²	48.5	33%	0.325	24%	0.241	S	C	.	.	H	α-helix	trans	-61.6	-37.5	179.6	-174.7	64.8	0	0	0	112.8	L754 F825 E826 L831 E832 T833	L754-L829 HydrophobicContact CD2-CD1 3.82Å; F825-L829 HydrophobicContact CE1-CD2 4.43Å; F825-L829 WeakPolarHBondContact O-CB 3.07Å; F825-L829 PolarHBondContact O-N 2.8Å; E826-L829 PolarHBondContact O-N 2.82Å; L829-L831 VanDerWaalsContact C-N 3.31Å; L829-L831 PolarHBondContact O-N 3.4Å; L829-E832 PolarHBondContact O-N 2.99Å; L829-T833 HydrophobicContact CD1-CG2 4.02Å; L829-T833 HydrophobicContact CG-CG2 4.29Å; L829-T833 WeakPolarHBondContact O-CB 3.33Å; L829-T833 VanDerWaalsContact O-CG2 3.28Å; L829-T833 WeakPolarHBondContact O-CG2 3.38Å; L829-T833 PolarHBondContact O-N 3.1Å; L829-T833 PolarHBondContact O-OG1 3.26Å
830	R	89.9	Confident	89.9	Confident	111 Å²	111	46.8 Å²	46.8	42%	0.419	22%	0.223	S	C	.	.	H	α-helix	trans	-64.4	-34.1	174.5	-70.8	163.6	174.7	-176.7	-2.1	112.4	E826 S827 A828 T833	E826-R830 VanDerWaalsContact CD-NE 3.34Å; E826-R830 VanDerWaalsContact O-CG 3.28Å; E826-R830 WeakPolarHBondContact O-CG 3.48Å; E826-R830 PolarHBondContact O-N 3.26Å; E826-R830 IonicContact OE1-CZ 3.84Å; E826-R830 IonicContact OE1-NE 2.79Å; E826-R830 PolarHBondContact OE1-NE 3.39Å; E826-R830 IonicContact OE1-NH2 3.15Å; E826-R830 PolarHBondContact OE1-NH2 3.12Å; E826-R830 IonicContact OE2-CZ 3.8Å; E826-R830 IonicContact OE2-NE 1.84Å; E826-R830 IonicContact OE2-NH1 3.72Å; E826-R830 IonicContact OE2-NH2 2.62Å; E826-R830 PolarHBondContact OE2-NH2 3.36Å; S827-R830 PolarHBondContact O-N 3.07Å; A828-R830 VanDerWaalsContact C-N 3.32Å; A828-R830 PolarHBondContact O-N 3.47Å; R830-T833 PolarHBondContact O-OG1 2.8Å
831	L	91.9	Very high	90.5	Very high	3 Å²	3	45 Å²	45	2%	0.016	22%	0.216	C	C	.	.	H	α-helix	trans	-70.7	-47.8	172.8	-167.7	75.5	0	0	0	111	L719 V731 V742 K796 L798 W806 S827 A828 L829 T833	L719-L831 HydrophobicContact CD1-CD2 3.59Å; L719-L831 HydrophobicContact CG-CD2 4.46Å; V731-L831 HydrophobicContact CG2-CD2 3.74Å; V742-L831 HydrophobicContact CG1-CD2 3.95Å; V742-L831 HydrophobicContact CG1-CG 4.18Å; V742-L831 HydrophobicContact CG2-CD1 3.86Å; V742-L831 HydrophobicContact CG2-CD2 4.26Å; V742-L831 HydrophobicContact CG2-CG 3.96Å; K796-L831 WeakPolarHBondContact CD-O 2.99Å; K796-L831 PolarHBondContact NZ-O 2.98Å; L798-L831 HydrophobicContact CD1-CD1 3.71Å; W806-L831 HydrophobicContact CD2-CD1 3.85Å; W806-L831 HydrophobicContact CE3-CD1 4.3Å; W806-L831 HydrophobicContact CG-CD1 4.06Å; W806-L831 HydrophobicContact CH2-CD2 4.37Å; W806-L831 HydrophobicContact CZ2-CB 4.35Å; W806-L831 HydrophobicContact CZ2-CD1 4.47Å; W806-L831 HydrophobicContact CZ2-CD2 4.03Å; S827-L831 PolarHBondContact O-N 3.27Å; A828-L831 WeakPolarHBondContact O-CB 3.44Å; A828-L831 PolarHBondContact O-N 3.1Å; A828-L831 VanDerWaalsContact O-N 3.09Å; L829-L831 VanDerWaalsContact C-N 3.31Å; L829-L831 PolarHBondContact O-N 3.4Å; L831-T833 PolarHBondContact O-N 2.8Å
832	E	92.8	Very high	91	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-89.6	12	-165	-62.8	171.4	139.4	0	0	115	R725 R727 S729 L754 A828 L829 L835	R725-E832 IonicContact CZ-OE1 2.7Å; R725-E832 IonicContact NH1-OE1 3.96Å; R725-E832 PolarHBondContact NH1-OE1 3.06Å; R725-E832 IonicContact NH1-OE2 3.35Å; R725-E832 PolarHBondContact NH1-OE2 3.2Å; R727-E832 IonicContact CZ-OE2 2.73Å; R727-E832 VanDerWaalsContact NE-CD 3.33Å; R727-E832 IonicContact NE-OE1 2.83Å; R727-E832 IonicContact NE-OE2 3.85Å; R727-E832 PolarHBondContact NE-OE2 3.05Å; R727-E832 IonicContact NH2-OE2 3.06Å; R727-E832 PolarHBondContact NH2-OE2 2.57Å; S729-E832 WeakPolarHBondContact CB-OE1 3.47Å; S729-E832 WeakPolarHBondContact OG-CG 3.46Å; S729-E832 PolarHBondContact OG-OE1 3.4Å; L754-E832 WeakPolarHBondContact CB-O 3.43Å; A828-E832 WeakPolarHBondContact O-CB 3.5Å; A828-E832 VanDerWaalsContact O-CG 3.23Å; A828-E832 WeakPolarHBondContact O-CG 3.46Å; A828-E832 PolarHBondContact O-N 2.96Å; L829-E832 PolarHBondContact O-N 2.99Å; E832-L835 WeakPolarHBondContact O-CD1 3.22Å; E832-L835 VanDerWaalsContact O-CG 3.3Å; E832-L835 WeakPolarHBondContact O-CG 3.49Å
833	T	91.1	Very high	91.1	Very high	45 Å²	45	31.8 Å²	31.8	28%	0.276	15%	0.154	S	C	.	.	S	Bend	trans	-98.7	150	176.1	33.9	0	0	0	0	112.2	L754 K796 L829 R830 L831	L754-T833 HydrophobicContact CD2-CG2 3.76Å; K796-T833 WeakPolarHBondContact CD-O 3.32Å; K796-T833 WeakPolarHBondContact CE-O 3.36Å; K796-T833 PolarHBondContact NZ-O 2.91Å; L829-T833 HydrophobicContact CD1-CG2 4.02Å; L829-T833 HydrophobicContact CG-CG2 4.29Å; L829-T833 WeakPolarHBondContact O-CB 3.33Å; L829-T833 VanDerWaalsContact O-CG2 3.28Å; L829-T833 WeakPolarHBondContact O-CG2 3.38Å; L829-T833 PolarHBondContact O-N 3.1Å; L829-T833 PolarHBondContact O-OG1 3.26Å; R830-T833 PolarHBondContact O-OG1 2.8Å; L831-T833 PolarHBondContact O-N 2.8Å
834	N	90.8	Very high	90.9	Very high	97 Å²	97	30.3 Å²	30.3	52%	0.519	15%	0.146	S	C	.	.	S	Bend	trans	63.2	46.9	-175.1	-60.2	-57.2	0	0	0	113.8	L754 K756	L754-N834 WeakPolarHBondContact O-CA 3.37Å; L754-N834 PolarHBondContact O-N 2.87Å; K756-N834 HydrophobicContact CB-CB 4.17Å; K756-N834 HydrophobicContact CG-CB 4.3Å
835	L	92	Very high	90.6	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-75.9	155.5	178.4	-55	178.2	0	0	0	112.7	T744 L754 I755 K756 A794 K796 E832	T744-L835 HydrophobicContact CG2-CD1 4.1Å; L754-L835 HydrophobicContact CB-CD1 4.13Å; L754-L835 HydrophobicContact CB-CG 4.49Å; L754-L835 PolarHBondContact O-N 2.76Å; I755-L835 CarbonylContact C-O 3.45Å; I755-L835 VanDerWaalsContact CA-O 3.27Å; I755-L835 WeakPolarHBondContact CA-O 3.13Å; K756-L835 PolarHBondContact N-O 2.84Å; A794-L835 HydrophobicContact CB-CB 3.86Å; A794-L835 HydrophobicContact CB-CD1 4.11Å; K796-L835 HydrophobicContact CB-CD2 3.77Å; K796-L835 HydrophobicContact CD-CD2 4.13Å; E832-L835 WeakPolarHBondContact O-CD1 3.22Å; E832-L835 VanDerWaalsContact O-CG 3.3Å; E832-L835 WeakPolarHBondContact O-CG 3.49Å
836	H	91.4	Very high	90.2	Very high	64 Å²	64	26.1 Å²	26.1	30%	0.296	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	116.8	168.6	175.2	76.6	0	0	0	110	D550 Q769 A794 K795 L838	D550-H836 IonicContact OD1-CD2 2.69Å; D550-H836 IonicContact OD1-CE1 3.8Å; D550-H836 IonicContact OD1-NE2 2.7Å; D550-H836 PolarHBondContact OD1-NE2 3.14Å; D550-H836 IonicContact OD2-NE2 3.4Å; D550-H836 PolarHBondContact OD2-NE2 3.38Å; Q769-H836 PolarHBondContact NE2-ND1 2.57Å; Q769-H836 PolarHBondContact OE1-CE1 3.08Å; A794-H836 CarbonylContact C-O 3.48Å; A794-H836 VanDerWaalsContact CA-O 3.23Å; A794-H836 WeakPolarHBondContact CA-O 3.26Å; A794-H836 WeakPolarHBondContact CB-O 3.32Å; K795-H836 HydrophobicContact CG-CB 4.4Å; K795-H836 PolarHBondContact N-O 3.49Å; K795-H836 WeakPolarHBondContact O-CB 3.29Å; K795-H836 PolarHBondContact O-N 3.21Å; H836-L838 PolarHBondContact O-N 3.41Å
837	L	92.8	Very high	89.9	Confident	1 Å²	1	23.3 Å²	23.3	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	122.5	179.4	-179.9	64.8	0	0	0	111.4	M752 I755 I772 T776	M752-L837 HydrophobicContact CE-CD2 3.98Å; M752-L837 HydrophobicContact SD-CD2 4.21Å; I755-L837 HydrophobicContact CD1-CB 3.71Å; I755-L837 HydrophobicContact CD1-CD1 4.13Å; I755-L837 HydrophobicContact CD1-CD2 3.96Å; I755-L837 HydrophobicContact CD1-CG 4.15Å; I755-L837 HydrophobicContact CG1-CB 4.14Å; I772-L837 HydrophobicContact CG2-CD2 4.49Å; T776-L837 HydrophobicContact CG2-CD2 4.01Å
838	L	93.2	Very high	89.6	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-46.6	173.4	-65.5	170.7	0	0	0	110.8	A428 D550 D553 F554 A557 Y743 I793 K795 H836	A428-L838 PolarHBondContact N-O 3.3Å; D550-L838 HydrophobicContact CB-CD2 4.44Å; D553-L838 HydrophobicContact CB-CD1 3.96Å; D553-L838 HydrophobicContact CB-CD2 3.65Å; D553-L838 HydrophobicContact CB-CG 4.47Å; F554-L838 HydrophobicContact CB-CB 4.26Å; F554-L838 HydrophobicContact CD2-CB 4.21Å; A557-L838 HydrophobicContact CB-CD1 4.35Å; Y743-L838 HydrophobicContact CD1-CD1 4.38Å; Y743-L838 HydrophobicContact CE1-CD1 4.36Å; I793-L838 HydrophobicContact CG2-CD1 4.31Å; I793-L838 PolarHBondContact O-N 3.25Å; K795-L838 HydrophobicContact CB-CD1 3.98Å; K795-L838 HydrophobicContact CB-CG 4.44Å; K795-L838 HydrophobicContact CD-CD1 4.3Å; K795-L838 HydrophobicContact CD-CD2 3.96Å; K795-L838 HydrophobicContact CD-CG 4.46Å; K795-L838 HydrophobicContact CG-CD1 4.06Å; K795-L838 HydrophobicContact CG-CD2 4Å; K795-L838 HydrophobicContact CG-CG 4.07Å; H836-L838 PolarHBondContact O-N 3.41Å
839	G	94.1	Very high	89.2	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.6	-168.3	-173	0	0	0	0	0	113.9	T426 I793	T426-G839 CarbonylContact O-C 3.57Å; T426-G839 WeakPolarHBondContact O-CA 3.18Å; I793-G839 PolarHBondContact N-O 3.38Å; I793-G839 PolarHBondContact O-N 3.33Å
840	A	94.8	Very high	88.9	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	156.8	174.7	0	0	0	0	0	111.7	C425 T426 T776 L780 L791	C425-A840 CarbonylContact C-O 3.41Å; C425-A840 VanDerWaalsContact CA-O 3.31Å; C425-A840 WeakPolarHBondContact CA-O 3.39Å; T426-A840 PolarHBondContact N-O 2.81Å; T426-A840 PolarHBondContact O-N 3.06Å; T426-A840 PolarHBondContact OG1-N 3.23Å; T776-A840 HydrophobicContact CG2-CB 4Å; L780-A840 HydrophobicContact CD1-CB 4.25Å; L780-A840 HydrophobicContact CD2-CB 3.71Å; L780-A840 HydrophobicContact CG-CB 4.04Å; L791-A840 CarbonylContact O-C 3.49Å; L791-A840 WeakPolarHBondContact O-CA 3.41Å; L791-A840 WeakPolarHBondContact O-CB 3.39Å
841	T	93.8	Very high	88.9	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	150	179.1	55.2	0	0	0	0	111.5	F422 C425 F554 L558 L682 T790 L791 I793	F422-T841 HydrophobicContact CE2-CG2 3.65Å; F422-T841 HydrophobicContact CZ-CG2 4.04Å; C425-T841 HydrophobicContact CB-CG2 4.33Å; F554-T841 HydrophobicContact CE2-CG2 4.41Å; F554-T841 HydrophobicContact CZ-CG2 3.73Å; L558-T841 HydrophobicContact CD2-CG2 4.25Å; L682-T841 HydrophobicContact CD2-CG2 3.85Å; T790-T841 WeakPolarHBondContact CA-O 3.46Å; L791-T841 PolarHBondContact N-O 3.17Å; L791-T841 PolarHBondContact O-N 3.23Å; I793-T841 HydrophobicContact CD1-CG2 4.37Å
842	G	91.1	Very high	88.7	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	110.7	171.1	0	0	0	0	0	109.6	R423 R424	R423-G842 PolarHBondContact N-O 2.82Å; R423-G842 VanDerWaalsContact N-O 3.11Å; R424-G842 PolarHBondContact N-O 3.27Å; R424-G842 VanDerWaalsContact N-O 3.1Å; R424-G842 PolarHBondContact O-N 3.28Å
843	V	87.6	Confident	88.6	Confident	2 Å²	2	30.3 Å²	30.3	1%	0.012	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	135.6	-178.6	179.2	0	0	0	0	109	M420 V421 F422 L682 L788 R789	M420-V843 HydrophobicContact CB-CG1 3.8Å; M420-V843 HydrophobicContact CG-CG1 4.49Å; M420-V843 HydrophobicContact SD-CG1 4.44Å; V421-V843 WeakPolarHBondContact O-CA 3.45Å; F422-V843 HydrophobicContact CD2-CG2 4.34Å; L682-V843 HydrophobicContact CD2-CG2 4.15Å; L788-V843 CarbonylContact C-O 3.53Å; L788-V843 WeakPolarHBondContact CA-O 3.5Å; R789-V843 HydrophobicContact CB-CB 4.46Å; R789-V843 WeakPolarHBondContact CB-O 3.42Å; R789-V843 PolarHBondContact N-O 3.44Å; R789-V843 PolarHBondContact O-N 3.38Å
844	E	84	Confident	88.7	Confident	43 Å²	43	31.8 Å²	31.8	20%	0.201	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	148.2	177.8	-177.4	180	-109.6	0	0	111.4	M420 V421 R423 I441 L788	M420-E844 CarbonylContact C-O 3.46Å; M420-E844 WeakPolarHBondContact CA-O 3.23Å; V421-E844 PolarHBondContact N-O 3.29Å; V421-E844 PolarHBondContact O-N 3.04Å; R423-E844 HydrophobicContact CG-CB 3.6Å; R423-E844 IonicContact CZ-OE1 3.01Å; R423-E844 IonicContact CZ-OE2 3.87Å; R423-E844 VanDerWaalsContact NE-CD 3.31Å; R423-E844 IonicContact NE-OE1 2.81Å; R423-E844 PolarHBondContact NE-OE1 2.74Å; R423-E844 IonicContact NE-OE2 2.72Å; R423-E844 PolarHBondContact NE-OE2 2.96Å; R423-E844 IonicContact NH1-OE1 2.59Å; R423-E844 IonicContact NH2-OE1 3.81Å; R423-E844 PolarHBondContact NH2-OE1 2.65Å; R423-E844 IonicContact NH2-OE2 2.91Å; R423-E844 PolarHBondContact NH2-OE2 3.25Å; I441-E844 VanDerWaalsContact CD1-OE2 3.26Å; I441-E844 WeakPolarHBondContact CD1-OE2 3.41Å; L788-E844 HydrophobicContact CD2-CB 3.89Å
845	D	80.8	Confident	88.7	Confident	12 Å²	12	27.6 Å²	27.6	6%	0.064	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	97.2	-178.2	-175.1	0.9	0	0	0	106.9	K411 T416 M420 R789 L847	K411-D845 IonicContact NZ-OD2 3.24Å; K411-D845 PolarHBondContact NZ-OD2 2.92Å; T416-D845 WeakPolarHBondContact CB-OD1 3.47Å; T416-D845 HydrophobicContact CG2-CB 4.41Å; T416-D845 VanDerWaalsContact OG1-CG 3.32Å; T416-D845 PolarHBondContact OG1-OD1 3.04Å; T416-D845 PolarHBondContact OG1-OD2 3.41Å; M420-D845 HydrophobicContact CE-CB 4.18Å; M420-D845 WeakPolarHBondContact CE-OD1 3.15Å; M420-D845 HydrophobicContact SD-CB 3.87Å; R789-D845 IonicContact CZ-OD2 2.68Å; R789-D845 IonicContact NE-OD2 2.65Å; R789-D845 PolarHBondContact NE-OD2 3.31Å; R789-D845 IonicContact NH2-OD2 2.96Å; R789-D845 PolarHBondContact NH2-OD2 3.26Å; D845-L847 PolarHBondContact O-N 2.9Å
846	R	78.4	Confident	88.5	Confident	18 Å²	18	28.8 Å²	28.8	7%	0.068	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	132	-168.8	175.8	178	164	160.3	-0.1	111	T416 E417 K419 D448 D849	T416-R846 CarbonylContact C-O 3.59Å; T416-R846 WeakPolarHBondContact CA-O 3.15Å; T416-R846 WeakPolarHBondContact CB-O 3.43Å; E417-R846 PolarHBondContact N-O 3.47Å; E417-R846 WeakPolarHBondContact OE1-CD 3.27Å; E417-R846 WeakPolarHBondContact OE1-CG 3.3Å; E417-R846 IonicContact OE1-CZ 2.87Å; E417-R846 IonicContact OE1-NE 3.96Å; E417-R846 PolarHBondContact OE1-NE 3.06Å; E417-R846 IonicContact OE1-NH2 2.61Å; E417-R846 IonicContact OE2-NE 3.1Å; K419-R846 PolarHBondContact O-N 2.75Å; D448-R846 IonicContact OD2-NH2 3.1Å; D448-R846 PolarHBondContact OD2-NH2 3.24Å; R846-D849 IonicContact CZ-OD1 3.25Å; R846-D849 IonicContact NE-OD1 2.73Å; R846-D849 IonicContact NH2-OD1 3.26Å; R846-D849 PolarHBondContact NH2-OD1 3.18Å; R846-D849 IonicContact NH2-OD2 2.74Å; R846-D849 PolarHBondContact NH2-OD2 3.47Å
847	L	83.9	Confident	88.6	Confident	25 Å²	25	29.8 Å²	29.8	13%	0.131	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	142.9	170.1	-61.8	-171.1	0	0	0	110.4	L415 T416 D845 P852 I879 A882 C883	L415-L847 CarbonylContact O-C 3.58Å; L415-L847 VanDerWaalsContact O-CA 3.25Å; L415-L847 WeakPolarHBondContact O-CA 3.47Å; T416-L847 HydrophobicContact CG2-CD2 4.13Å; D845-L847 PolarHBondContact O-N 2.9Å; L847-P852 HydrophobicContact CD1-CG 4.03Å; L847-I879 HydrophobicContact CD2-CG2 4.08Å; L847-A882 HydrophobicContact CD1-CB 3.88Å; L847-C883 VanDerWaalsContact CD2-SG 3.59Å
848	Q	84.4	Confident	88.5	Confident	68 Å²	68	32.1 Å²	32.1	32%	0.318	18%	0.183	S	C	.	.	P	Polyproline II helix	trans	-64.5	151.6	172.3	-49.3	-174.3	-2.6	0	0	110.9	G413 L415 T416 E417 V851	G413-Q848 VanDerWaalsContact C-NE2 3.31Å; G413-Q848 PolarHBondContact O-NE2 3.03Å; L415-Q848 PolarHBondContact O-N 2.82Å; T416-Q848 VanDerWaalsContact C-CG 3.43Å; T416-Q848 PolarHBondContact O-NE2 3.01Å; E417-Q848 HydrophobicContact CG-CB 4.11Å; E417-Q848 HydrophobicContact CG-CG 3.76Å; Q848-V851 HydrophobicContact CB-CG2 3.7Å; Q848-V851 VanDerWaalsContact O-CB 3.26Å; Q848-V851 WeakPolarHBondContact O-CB 3.49Å; Q848-V851 VanDerWaalsContact O-CG2 3.22Å; Q848-V851 WeakPolarHBondContact O-CG2 3.26Å; Q848-V851 PolarHBondContact O-N 2.97Å
849	D	82.9	Confident	88.2	Confident	99 Å²	99	34.1 Å²	34.1	53%	0.529	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	142.9	-176.4	-60.4	-50.3	0	0	0	112.2	R846 V851	R846-D849 IonicContact CZ-OD1 3.25Å; R846-D849 IonicContact NE-OD1 2.73Å; R846-D849 IonicContact NH2-OD1 3.26Å; R846-D849 PolarHBondContact NH2-OD1 3.18Å; R846-D849 IonicContact NH2-OD2 2.74Å; R846-D849 PolarHBondContact NH2-OD2 3.47Å; D849-V851 PolarHBondContact O-N 3.13Å
850	G	84.8	Confident	87.9	Confident	36 Å²	36	42.4 Å²	42.4	37%	0.371	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	4.8	-175.3	0	0	0	0	0	116.2	E853 T854	G850-E853 PolarHBondContact O-N 3.31Å; G850-T854 WeakPolarHBondContact O-CB 3.42Å; G850-T854 PolarHBondContact O-N 3.27Å; G850-T854 PolarHBondContact O-OG1 2.88Å
851	V	90.9	Very high	87.7	Confident	14 Å²	14	45.9 Å²	45.9	9%	0.085	26%	0.256	C	S	.	.	H	α-helix	trans	-59	-48.3	-179.1	162.3	0	0	0	0	113.4	L415 Q848 D849 E853 T854 I855 C883	L415-V851 HydrophobicContact CD2-CG1 3.92Å; Q848-V851 HydrophobicContact CB-CG2 3.7Å; Q848-V851 VanDerWaalsContact O-CB 3.26Å; Q848-V851 WeakPolarHBondContact O-CB 3.49Å; Q848-V851 VanDerWaalsContact O-CG2 3.22Å; Q848-V851 WeakPolarHBondContact O-CG2 3.26Å; Q848-V851 PolarHBondContact O-N 2.97Å; D849-V851 PolarHBondContact O-N 3.13Å; V851-E853 VanDerWaalsContact C-N 3.3Å; V851-E853 PolarHBondContact O-N 3.06Å; V851-T854 PolarHBondContact O-N 3.09Å; V851-I855 HydrophobicContact CG1-CD1 3.78Å; V851-I855 WeakPolarHBondContact O-CB 3.41Å; V851-I855 WeakPolarHBondContact O-CG1 3.13Å; V851-I855 PolarHBondContact O-N 3.17Å; V851-C883 HydrophobicContact CG1-CB 4.45Å
852	P	88	Confident	87.4	Confident	18 Å²	18	48.1 Å²	48.1	12%	0.117	28%	0.279	C	S	.	.	H	α-helix	trans	-64.5	-34.2	179	-19.1	31.3	0	0	0	113.1	L847 A856 K884	L847-P852 HydrophobicContact CD1-CG 4.03Å; P852-A856 VanDerWaalsContact O-CB 3.28Å; P852-A856 WeakPolarHBondContact O-CB 3.23Å; P852-A856 PolarHBondContact O-N 3.43Å; P852-K884 HydrophobicContact CB-CB 4.45Å; P852-K884 HydrophobicContact CB-CD 3.56Å; P852-K884 HydrophobicContact CB-CG 3.93Å
853	E	89.9	Confident	87.3	Confident	93 Å²	93	49.6 Å²	49.6	44%	0.435	29%	0.286	S	S	.	.	H	α-helix	trans	-73	-41.6	-179.9	-72.4	48.8	-112.6	0	0	110.6	G850 V851 A856 T857 K884	G850-E853 PolarHBondContact O-N 3.31Å; V851-E853 VanDerWaalsContact C-N 3.3Å; V851-E853 PolarHBondContact O-N 3.06Å; E853-A856 PolarHBondContact O-N 3.26Å; E853-T857 WeakPolarHBondContact O-CB 3.45Å; E853-T857 PolarHBondContact O-N 3.42Å; E853-T857 PolarHBondContact O-OG1 3.17Å; E853-K884 IonicContact OE1-NZ 3.48Å; E853-K884 PolarHBondContact OE1-NZ 2.59Å
854	T	92.4	Very high	87.4	Confident	77 Å²	77	50.8 Å²	50.8	47%	0.472	29%	0.292	S	S	.	.	H	α-helix	trans	-62.2	-49.8	172.2	-63.9	0	0	0	0	110.4	G850 V851 A856 T857 L858	G850-T854 WeakPolarHBondContact O-CB 3.42Å; G850-T854 PolarHBondContact O-N 3.27Å; G850-T854 PolarHBondContact O-OG1 2.88Å; V851-T854 PolarHBondContact O-N 3.09Å; T854-A856 PolarHBondContact O-N 3.44Å; T854-T857 PolarHBondContact O-N 3.07Å; T854-T857 VanDerWaalsContact O-N 3.09Å; T854-L858 HydrophobicContact CG2-CD1 3.78Å; T854-L858 HydrophobicContact CG2-CG 4.28Å; T854-L858 WeakPolarHBondContact O-CB 3.48Å; T854-L858 VanDerWaalsContact O-CG 3.25Å; T854-L858 WeakPolarHBondContact O-CG 3.33Å; T854-L858 PolarHBondContact O-N 3.41Å
855	I	91.4	Very high	87.9	Confident	8 Å²	8	49 Å²	49	4%	0.041	28%	0.283	C	S	.	.	H	α-helix	trans	-62.3	-41.5	177.5	-76.4	170.8	0	0	0	111.5	L415 V851 T857 L858 R859 I865 C883 L885	L415-I855 HydrophobicContact CD2-CD1 3.92Å; V851-I855 HydrophobicContact CG1-CD1 3.78Å; V851-I855 WeakPolarHBondContact O-CB 3.41Å; V851-I855 WeakPolarHBondContact O-CG1 3.13Å; V851-I855 PolarHBondContact O-N 3.17Å; I855-T857 VanDerWaalsContact C-N 3.3Å; I855-T857 PolarHBondContact O-N 3.07Å; I855-L858 PolarHBondContact O-N 3.01Å; I855-R859 VanDerWaalsContact O-CB 3.31Å; I855-R859 WeakPolarHBondContact O-CB 3.28Å; I855-R859 VanDerWaalsContact O-CG 3.29Å; I855-R859 WeakPolarHBondContact O-CG 3.39Å; I855-R859 PolarHBondContact O-N 3.38Å; I855-I865 HydrophobicContact CB-CD1 4.4Å; I855-I865 HydrophobicContact CG1-CD1 4.26Å; I855-I865 HydrophobicContact CG2-CD1 4.07Å; I855-C883 HydrophobicContact CD1-CB 3.71Å; I855-C883 VanDerWaalsContact CG2-O 3.29Å; I855-C883 WeakPolarHBondContact CG2-O 3.48Å; I855-L885 HydrophobicContact CG2-CB 4.2Å; I855-L885 HydrophobicContact CG2-CD1 4.46Å
856	A	88.4	Confident	88.5	Confident	27 Å²	27	48.4 Å²	48.4	22%	0.223	28%	0.281	C	S	.	.	H	α-helix	trans	-62.1	-37.5	173.5	0	0	0	0	0	112.2	P852 E853 T854 K860	P852-A856 VanDerWaalsContact O-CB 3.28Å; P852-A856 WeakPolarHBondContact O-CB 3.23Å; P852-A856 PolarHBondContact O-N 3.43Å; E853-A856 PolarHBondContact O-N 3.26Å; T854-A856 PolarHBondContact O-N 3.44Å; A856-K860 VanDerWaalsContact O-CG 3.23Å; A856-K860 WeakPolarHBondContact O-CG 3.04Å; A856-K860 PolarHBondContact O-N 2.99Å
857	T	92	Very high	89.2	Confident	84 Å²	84	47.9 Å²	47.9	52%	0.515	28%	0.279	S	S	.	.	H	α-helix	trans	-73.6	-41	179.1	-59.7	0	0	0	0	112.3	E853 T854 I855 K860 A861	E853-T857 WeakPolarHBondContact O-CB 3.45Å; E853-T857 PolarHBondContact O-N 3.42Å; E853-T857 PolarHBondContact O-OG1 3.17Å; T854-T857 PolarHBondContact O-N 3.07Å; T854-T857 VanDerWaalsContact O-N 3.09Å; I855-T857 VanDerWaalsContact C-N 3.3Å; I855-T857 PolarHBondContact O-N 3.07Å; T857-K860 WeakPolarHBondContact O-CB 3.38Å; T857-K860 PolarHBondContact O-N 3.37Å; T857-A861 PolarHBondContact O-N 2.85Å
858	L	91.7	Very high	89.6	Confident	51 Å²	51	47 Å²	47	27%	0.267	27%	0.274	S	S	.	.	H	α-helix	trans	-64.2	-41.3	172.4	-65.6	169.2	0	0	0	111.3	I407 T854 I855 A861 G862 L863 I865	I407-L858 HydrophobicContact CD1-CD1 3.89Å; I407-L858 HydrophobicContact CD1-CD2 3.99Å; I407-L858 HydrophobicContact CD1-CG 4.4Å; T854-L858 HydrophobicContact CG2-CD1 3.78Å; T854-L858 HydrophobicContact CG2-CG 4.28Å; T854-L858 WeakPolarHBondContact O-CB 3.48Å; T854-L858 VanDerWaalsContact O-CG 3.25Å; T854-L858 WeakPolarHBondContact O-CG 3.33Å; T854-L858 PolarHBondContact O-N 3.41Å; I855-L858 PolarHBondContact O-N 3.01Å; L858-A861 WeakPolarHBondContact O-CB 3.42Å; L858-A861 PolarHBondContact O-N 3.34Å; L858-G862 PolarHBondContact O-N 3.28Å; L858-L863 HydrophobicContact CB-CD1 4.14Å; L858-L863 HydrophobicContact CD2-CD1 3.51Å; L858-L863 HydrophobicContact CG-CD1 4.42Å; L858-L863 WeakPolarHBondContact O-CB 3.45Å; L858-L863 PolarHBondContact O-N 2.92Å; L858-L863 VanDerWaalsContact O-N 3.11Å; L858-I865 HydrophobicContact CB-CD1 3.82Å; L858-I865 HydrophobicContact CD1-CD1 4.29Å
859	R	86.9	Confident	89.6	Confident	42 Å²	42	43.7 Å²	43.7	16%	0.158	26%	0.259	C	S	.	.	H	α-helix	trans	-60.7	-42.2	171.4	-77.2	169	117	-149.6	1.7	111.5	I855 A861 G862 I865 K884 L885 D887 E890 R987	I855-R859 VanDerWaalsContact O-CB 3.31Å; I855-R859 WeakPolarHBondContact O-CB 3.28Å; I855-R859 VanDerWaalsContact O-CG 3.29Å; I855-R859 WeakPolarHBondContact O-CG 3.39Å; I855-R859 PolarHBondContact O-N 3.38Å; R859-A861 VanDerWaalsContact C-N 3.3Å; R859-A861 PolarHBondContact O-N 2.92Å; R859-G862 PolarHBondContact O-N 3.44Å; R859-I865 HydrophobicContact CG-CD1 4.22Å; R859-K884 PolarHBondContact NH1-O 3.42Å; R859-L885 PolarHBondContact NH2-O 3.27Å; R859-D887 IonicContact CZ-OD1 2.57Å; R859-D887 IonicContact NH1-OD1 2.71Å; R859-D887 PolarHBondContact NH1-OD1 2.86Å; R859-D887 IonicContact NH1-OD2 2.66Å; R859-D887 IonicContact NH2-OD1 2.79Å; R859-D887 PolarHBondContact NH2-OD1 2.93Å; R859-E890 IonicContact NH2-OE1 2.68Å; R859-E890 IonicContact NH2-OE2 3.81Å; R859-E890 PolarHBondContact NH2-OE2 2.83Å; R859-E890 VanDerWaalsContact NH2-OE2 3.11Å; R859-R987 VanDerWaalsContact CZ-NH2 3.33Å
860	K	87.8	Confident	89.3	Confident	173 Å²	173	41.2 Å²	41.2	75%	0.752	26%	0.257	S	S	*	.	H	α-helix	trans	-62.1	-34.5	173.7	-74.3	165.2	-172.8	170.1	0	112.6	A856 T857 G862	A856-K860 VanDerWaalsContact O-CG 3.23Å; A856-K860 WeakPolarHBondContact O-CG 3.04Å; A856-K860 PolarHBondContact O-N 2.99Å; T857-K860 WeakPolarHBondContact O-CB 3.38Å; T857-K860 PolarHBondContact O-N 3.37Å; K860-G862 PolarHBondContact O-N 3.3Å
861	A	89.8	Confident	88.8	Confident	74 Å²	74	41.3 Å²	41.3	61%	0.612	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	1.8	173.8	0	0	0	0	0	114	T857 L858 R859 L863	T857-A861 PolarHBondContact O-N 2.85Å; L858-A861 WeakPolarHBondContact O-CB 3.42Å; L858-A861 PolarHBondContact O-N 3.34Å; R859-A861 VanDerWaalsContact C-N 3.3Å; R859-A861 PolarHBondContact O-N 2.92Å; A861-L863 HydrophobicContact CB-CD1 4.28Å; A861-L863 HydrophobicContact CB-CG 4.35Å
862	G	87.4	Confident	87.8	Confident	47 Å²	47	42.3 Å²	42.3	49%	0.485	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	4.2	178.3	0	0	0	0	0	115	L858 R859 K860 Q864	L858-G862 PolarHBondContact O-N 3.28Å; R859-G862 PolarHBondContact O-N 3.44Å; K860-G862 PolarHBondContact O-N 3.3Å; G862-Q864 PolarHBondContact O-NE2 2.78Å; G862-Q864 VanDerWaalsContact O-NE2 3.1Å
863	L	90.3	Very high	87.6	Confident	30 Å²	30	43.1 Å²	43.1	16%	0.157	25%	0.254	C	S	.	.			trans	-74.7	132.2	-176.2	-59.6	168.1	0	0	0	111	M404 I407 L858 A861	M404-L863 HydrophobicContact CB-CD2 4.39Å; M404-L863 WeakPolarHBondContact O-CD2 3.25Å; I407-L863 HydrophobicContact CD1-CB 4.44Å; I407-L863 HydrophobicContact CD1-CD1 4.01Å; L858-L863 HydrophobicContact CB-CD1 4.14Å; L858-L863 HydrophobicContact CD2-CD1 3.51Å; L858-L863 HydrophobicContact CG-CD1 4.42Å; L858-L863 WeakPolarHBondContact O-CB 3.45Å; L858-L863 PolarHBondContact O-N 2.92Å; L858-L863 VanDerWaalsContact O-N 3.11Å; A861-L863 HydrophobicContact CB-CD1 4.28Å; A861-L863 HydrophobicContact CB-CG 4.35Å
864	Q	90.3	Very high	87.1	Confident	27 Å²	27	42.9 Å²	42.9	13%	0.126	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	123.6	175.9	-55.8	-53.1	-64.9	0	0	109.2	Q405 Y406 I407 G862	Q405-Q864 PolarHBondContact O-N 3.44Å; Y406-Q864 CarbonylContact C-O 3.56Å; Y406-Q864 WeakPolarHBondContact CA-O 3.36Å; Y406-Q864 HydrophobicContact CD1-CB 3.68Å; Y406-Q864 HydrophobicContact CD1-CG 4.42Å; Y406-Q864 HydrophobicContact CE1-CB 3.68Å; Y406-Q864 HydrophobicContact CE1-CG 4.02Å; Y406-Q864 HydrophobicContact CE2-CG 4.49Å; Y406-Q864 HydrophobicContact CG-CB 4.19Å; I407-Q864 PolarHBondContact N-O 3.23Å; G862-Q864 PolarHBondContact O-NE2 2.78Å; G862-Q864 VanDerWaalsContact O-NE2 3.1Å
865	I	92.4	Very high	86.4	Confident	5 Å²	5	39.5 Å²	39.5	3%	0.026	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	119.4	-174.2	-55.7	171.6	0	0	0	108.9	I407 I855 L858 R859 L885	I407-I865 HydrophobicContact CB-CG1 4.42Å; I407-I865 WeakPolarHBondContact O-CA 3.13Å; I855-I865 HydrophobicContact CB-CD1 4.4Å; I855-I865 HydrophobicContact CG1-CD1 4.26Å; I855-I865 HydrophobicContact CG2-CD1 4.07Å; L858-I865 HydrophobicContact CB-CD1 3.82Å; L858-I865 HydrophobicContact CD1-CD1 4.29Å; R859-I865 HydrophobicContact CG-CD1 4.22Å; I865-L885 HydrophobicContact CB-CD1 3.72Å; I865-L885 HydrophobicContact CG2-CD1 3.89Å
866	W	94.4	Very high	86	Confident	1 Å²	1	39.3 Å²	39.3	0%	0.004	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	130.2	-179.9	-67.6	21.4	0	0	0	108.5	Y406 I407 F408 S409 L980 A983 V989 V1002 V1006	Y406-W866 AromaticContact CD1-CE2 3.87Å; Y406-W866 HydrophobicContact CD1-CZ2 4.16Å; Y406-W866 AromaticContact CD1-NE1 3.75Å; Y406-W866 AromaticContact CE1-CE2 3.78Å; Y406-W866 AromaticContact CE1-CZ2 3.72Å; Y406-W866 HydrophobicContact CE1-CZ2 3.72Å; Y406-W866 AromaticContact CE1-NE1 3.69Å; I407-W866 PolarHBondContact O-N 3.32Å; F408-W866 WeakPolarHBondContact CA-O 3.34Å; F408-W866 HydrophobicContact CD1-CB 3.87Å; F408-W866 HydrophobicContact CD1-CE3 4.34Å; F408-W866 HydrophobicContact CD1-CG 4.48Å; F408-W866 HydrophobicContact CE1-CB 4.07Å; F408-W866 AromaticContact CE1-CD2 3.91Å; F408-W866 HydrophobicContact CE1-CD2 3.91Å; F408-W866 AromaticContact CE1-CE3 3.53Å; F408-W866 HydrophobicContact CE1-CE3 3.53Å; F408-W866 HydrophobicContact CE1-CG 4.2Å; F408-W866 HydrophobicContact CE1-CZ3 4.2Å; F408-W866 HydrophobicContact CZ-CE3 4.37Å; S409-W866 PolarHBondContact N-O 2.91Å; W866-L980 HydrophobicContact CH2-CD1 4.49Å; W866-A983 HydrophobicContact CH2-CB 3.47Å; W866-A983 VanDerWaalsContact CH2-CB 3.47Å; W866-A983 HydrophobicContact CZ2-CB 3.82Å; W866-A983 HydrophobicContact CZ3-CB 4.2Å; W866-V989 CarbonylContact C-O 3.57Å; W866-V989 VanDerWaalsContact CA-O 3.32Å; W866-V989 WeakPolarHBondContact CA-O 3.36Å; W866-V989 HydrophobicContact CB-CB 4.26Å; W866-V989 HydrophobicContact CD2-CB 3.61Å; W866-V989 HydrophobicContact CD2-CG1 4.23Å; W866-V989 HydrophobicContact CD2-CG2 3.7Å; W866-V989 VanDerWaalsContact CE2-CG2 3.44Å; W866-V989 HydrophobicContact CE3-CB 3.96Å; W866-V989 HydrophobicContact CE3-CG1 4.05Å; W866-V989 HydrophobicContact CE3-CG2 4.22Å; W866-V989 HydrophobicContact CG-CB 3.7Å; W866-V989 HydrophobicContact CG-CG2 4.05Å; W866-V989 HydrophobicContact CH2-CG2 4.41Å; W866-V989 HydrophobicContact CZ2-CG2 3.85Å; W866-V989 HydrophobicContact CZ3-CG1 4.47Å; W866-V1002 HydrophobicContact CE3-CG1 3.93Å; W866-V1002 HydrophobicContact CZ3-CG1 3.86Å; W866-V1006 HydrophobicContact CE3-CG2 4.44Å; W866-V1006 HydrophobicContact CH2-CG2 3.57Å; W866-V1006 HydrophobicContact CZ2-CG2 4.44Å; W866-V1006 HydrophobicContact CZ3-CG2 3.59Å
867	V	93.6	Very high	85.9	Confident	6 Å²	6	38.8 Å²	38.8	4%	0.036	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	122.5	-179.5	175.5	0	0	0	0	109.6	S409 K411 L415 L885 V989 L990 C991	S409-V867 WeakPolarHBondContact O-CA 3.31Å; K411-V867 HydrophobicContact CB-CG1 3.98Å; L415-V867 HydrophobicContact CD1-CG1 4.29Å; L415-V867 HydrophobicContact CD1-CG2 3.82Å; V867-L885 HydrophobicContact CB-CD2 4.39Å; V867-L885 HydrophobicContact CG2-CD2 3.38Å; V867-V989 PolarHBondContact N-O 3.23Å; V867-L990 HydrophobicContact CB-CD1 3.95Å; V867-L990 HydrophobicContact CB-CG 4.31Å; V867-L990 HydrophobicContact CG2-CD1 4.4Å; V867-L990 WeakPolarHBondContact O-CA 3.48Å; V867-C991 PolarHBondContact O-N 3.39Å
868	L	91.1	Very high	85.4	Confident	6 Å²	6	36.4 Å²	36.4	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	93.1	-177.3	-51	-177.3	0	0	0	108.2	F408 S409 C991 K999 V1002 V1003	F408-L868 HydrophobicContact CB-CD1 4.12Å; F408-L868 HydrophobicContact CD1-CD1 3.85Å; F408-L868 HydrophobicContact CD1-CD2 4.48Å; F408-L868 HydrophobicContact CD1-CG 4.29Å; F408-L868 HydrophobicContact CG-CD1 4.38Å; S409-L868 PolarHBondContact O-N 3.21Å; L868-C991 HydrophobicContact CD2-CB 3.6Å; L868-K999 HydrophobicContact CB-CB 4.39Å; L868-K999 HydrophobicContact CB-CD 3.91Å; L868-K999 HydrophobicContact CB-CG 3.95Å; L868-K999 HydrophobicContact CD1-CB 4.06Å; L868-K999 WeakPolarHBondContact O-CD 3.19Å; L868-K999 WeakPolarHBondContact O-CE 3.32Å; L868-K999 PolarHBondContact O-NZ 3.35Å; L868-V1002 HydrophobicContact CD1-CB 4.44Å; L868-V1002 HydrophobicContact CD2-CG1 4.15Å; L868-V1003 HydrophobicContact CD1-CG2 4.26Å
869	T	85.4	Confident	85.1	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.2	C	C	.	.			trans	-113.6	154.7	-172	-175.8	0	0	0	0	113	D871 A876 C991 C992 R993 S994	T869-D871 HydrophobicContact CG2-CB 4.3Å; T869-D871 WeakPolarHBondContact OG1-CB 3.35Å; T869-D871 PolarHBondContact OG1-N 2.94Å; T869-D871 VanDerWaalsContact OG1-N 3.12Å; T869-A876 HydrophobicContact CG2-CB 3.7Å; T869-C991 PolarHBondContact N-O 3.26Å; T869-C991 VanDerWaalsContact O-O 3.1Å; T869-C992 CarbonylContact O-C 3.5Å; T869-R993 PolarHBondContact O-N 3.5Å; T869-R993 VanDerWaalsContact O-N 3.14Å; T869-S994 PolarHBondContact N-OG 3.05Å; T869-S994 PolarHBondContact O-N 3.02Å; T869-S994 PolarHBondContact O-OG 2.75Å
870	G	76.3	Confident	85.1	Confident	47 Å²	47	32.7 Å²	32.7	49%	0.485	19%	0.194	S	C	.	.	S	Bend	trans	-84.4	-9.9	168.9	0	0	0	0	0	113.9	R993	G870-R993 WeakPolarHBondContact O-CA 3.45Å
871	D	73.4	Confident	85	Confident	37 Å²	37	28 Å²	28	20%	0.198	17%	0.173	C	C	.	.	S	Bend	trans	-73.7	172.9	-172.3	-69.9	3.8	0	0	0	113.4	K411 T869 R993	K411-D871 WeakPolarHBondContact CD-OD2 3.37Å; K411-D871 WeakPolarHBondContact CE-OD2 3.38Å; K411-D871 IonicContact NZ-OD2 3.91Å; K411-D871 PolarHBondContact NZ-OD2 3.13Å; T869-D871 HydrophobicContact CG2-CB 4.3Å; T869-D871 WeakPolarHBondContact OG1-CB 3.35Å; T869-D871 PolarHBondContact OG1-N 2.94Å; T869-D871 VanDerWaalsContact OG1-N 3.12Å; D871-R993 VanDerWaalsContact O-CG 3.23Å; D871-R993 WeakPolarHBondContact O-CG 3.27Å; D871-R993 PolarHBondContact O-N 2.94Å
872	K	71.6	Confident	84.6	Confident	35 Å²	35	27.1 Å²	27.1	15%	0.152	17%	0.165	C	C	.	.			trans	-65.7	159.5	171.1	-43.9	-179	-168.2	169.6	0	111.2	D748 T790 E874 A876	D748-K872 IonicContact OD1-NZ 3.45Å; D748-K872 PolarHBondContact OD1-NZ 3.37Å; D748-K872 IonicContact OD2-NZ 3.64Å; D748-K872 PolarHBondContact OD2-NZ 3.31Å; T790-K872 PolarHBondContact OG1-NZ 3.34Å; K872-E874 VanDerWaalsContact C-N 3.34Å; K872-E874 WeakPolarHBondContact CB-OE2 3.45Å; K872-E874 PolarHBondContact O-N 2.87Å; K872-A876 VanDerWaalsContact O-CB 3.31Å; K872-A876 WeakPolarHBondContact O-CB 3.49Å; K872-A876 PolarHBondContact O-N 3.08Å; K872-A876 VanDerWaalsContact O-N 3.08Å
873	Q	82.6	Confident	84.6	Confident	36 Å²	36	24.9 Å²	24.9	17%	0.168	14%	0.142	C	C	.	.	H	α-helix	trans	-63.3	-41.8	-175.6	-171.5	-179	-26.5	0	0	112.1	A876 V877 T894 N896 V961 C992	Q873-A876 PolarHBondContact O-N 2.96Å; Q873-V877 WeakPolarHBondContact O-CB 3.4Å; Q873-V877 VanDerWaalsContact O-CG2 3.31Å; Q873-V877 WeakPolarHBondContact O-CG2 3.36Å; Q873-V877 PolarHBondContact O-N 3.5Å; Q873-T894 VanDerWaalsContact NE2-CG2 3.28Å; Q873-T894 PolarHBondContact NE2-OG1 3.24Å; Q873-N896 PolarHBondContact OE1-ND2 3.02Å; Q873-V961 HydrophobicContact CG-CG1 3.38Å; Q873-C992 HydrophobicContact CB-CB 4.41Å
874	E	79.4	Confident	84.3	Confident	87 Å²	87	28 Å²	28	41%	0.407	15%	0.154	S	C	.	.	H	α-helix	trans	-67.5	-51.9	-174.8	-49.5	78.1	-174.3	0	0	110.2	A784 K872 A876 V877 N878	A784-E874 HydrophobicContact CB-CB 4.01Å; K872-E874 VanDerWaalsContact C-N 3.34Å; K872-E874 WeakPolarHBondContact CB-OE2 3.45Å; K872-E874 PolarHBondContact O-N 2.87Å; E874-A876 VanDerWaalsContact C-N 3.3Å; E874-A876 PolarHBondContact O-N 3.47Å; E874-V877 PolarHBondContact O-N 3.18Å; E874-N878 PolarHBondContact O-N 3.25Å; E874-N878 PolarHBondContact O-ND2 3.36Å
875	T	77.3	Confident	84.1	Confident	6 Å²	6	26.7 Å²	26.7	4%	0.037	15%	0.148	C	C	.	.	H	α-helix	trans	-59.2	-40.2	175.3	-46.9	0	0	0	0	111.7	I879	T875-I879 HydrophobicContact CG2-CD1 4.16Å; T875-I879 WeakPolarHBondContact O-CB 3.27Å; T875-I879 WeakPolarHBondContact O-CG1 3.42Å; T875-I879 PolarHBondContact O-N 2.79Å
876	A	84.7	Confident	83.8	Confident	4 Å²	4	26.6 Å²	26.6	3%	0.033	15%	0.148	C	C	.	.	H	α-helix	trans	-64.9	-47.3	177.3	0	0	0	0	0	112.4	T869 K872 Q873 E874 N878 I879 A880 L990 C992	T869-A876 HydrophobicContact CG2-CB 3.7Å; K872-A876 VanDerWaalsContact O-CB 3.31Å; K872-A876 WeakPolarHBondContact O-CB 3.49Å; K872-A876 PolarHBondContact O-N 3.08Å; K872-A876 VanDerWaalsContact O-N 3.08Å; Q873-A876 PolarHBondContact O-N 2.96Å; E874-A876 VanDerWaalsContact C-N 3.3Å; E874-A876 PolarHBondContact O-N 3.47Å; A876-N878 VanDerWaalsContact C-N 3.33Å; A876-N878 PolarHBondContact O-N 2.92Å; A876-I879 PolarHBondContact O-N 2.99Å; A876-A880 PolarHBondContact O-N 3.01Å; A876-L990 VanDerWaalsContact C-CD2 3.49Å; A876-L990 HydrophobicContact CB-CD2 3.98Å; A876-L990 WeakPolarHBondContact O-CD2 3.24Å; A876-C992 VanDerWaalsContact CB-SG 3.59Å
877	V	85.1	Confident	83.2	Confident	17 Å²	17	28.2 Å²	28.2	10%	0.103	16%	0.156	C	C	.	.	H	α-helix	trans	-60.1	-42.1	178.4	164.3	0	0	0	0	111.4	Q873 E874 A880 Y881 L886 I892 V961 L990	Q873-V877 WeakPolarHBondContact O-CB 3.4Å; Q873-V877 VanDerWaalsContact O-CG2 3.31Å; Q873-V877 WeakPolarHBondContact O-CG2 3.36Å; Q873-V877 PolarHBondContact O-N 3.5Å; E874-V877 PolarHBondContact O-N 3.18Å; V877-A880 CarbonylContact O-C 3.44Å; V877-A880 WeakPolarHBondContact O-CA 3.33Å; V877-A880 WeakPolarHBondContact O-CB 3.39Å; V877-A880 PolarHBondContact O-N 2.98Å; V877-A880 VanDerWaalsContact O-N 3.15Å; V877-Y881 HydrophobicContact CG1-CD2 3.88Å; V877-Y881 HydrophobicContact CG1-CE2 3.51Å; V877-Y881 WeakPolarHBondContact O-CD2 3.45Å; V877-Y881 PolarHBondContact O-N 3.11Å; V877-L886 HydrophobicContact CG1-CD1 4.23Å; V877-I892 HydrophobicContact CG1-CD1 3.93Å; V877-V961 HydrophobicContact CG2-CG1 4.23Å; V877-V961 HydrophobicContact CG2-CG2 3.76Å; V877-L990 HydrophobicContact CG2-CD2 4.02Å
878	N	81.6	Confident	82.3	Confident	34 Å²	34	33.4 Å²	33.4	18%	0.182	19%	0.19	C	C	.	.	H	α-helix	trans	-75.2	-31.9	-178.6	-67.3	-41.2	0	0	0	113.4	A784 A785 E874 A876 A880 Y881 A882	A784-N878 PolarHBondContact O-ND2 2.86Å; A785-N878 VanDerWaalsContact C-ND2 3.33Å; A785-N878 VanDerWaalsContact CA-ND2 3.34Å; A785-N878 WeakPolarHBondContact CA-ND2 3.44Å; A785-N878 PolarHBondContact O-ND2 2.7Å; A785-N878 PolarHBondContact O-OD1 3.35Å; E874-N878 PolarHBondContact O-N 3.25Å; E874-N878 PolarHBondContact O-ND2 3.36Å; A876-N878 VanDerWaalsContact C-N 3.33Å; A876-N878 PolarHBondContact O-N 2.92Å; N878-A880 VanDerWaalsContact C-N 3.31Å; N878-Y881 PolarHBondContact O-N 2.95Å; N878-A882 WeakPolarHBondContact O-CB 3.37Å; N878-A882 PolarHBondContact O-N 3.48Å
879	I	85.1	Confident	81.7	Confident	11 Å²	11	39 Å²	39	6%	0.056	22%	0.22	C	C	.	.	H	α-helix	trans	-65.3	-36.4	166.3	-73.5	172.1	0	0	0	110.6	K411 T416 L847 T875 A876 A882 C883	K411-I879 HydrophobicContact CD-CD1 3.72Å; K411-I879 HydrophobicContact CD-CG2 4.48Å; K411-I879 HydrophobicContact CG-CD1 4.34Å; K411-I879 HydrophobicContact CG-CG2 3.93Å; T416-I879 HydrophobicContact CG2-CD1 4.26Å; L847-I879 HydrophobicContact CD2-CG2 4.08Å; T875-I879 HydrophobicContact CG2-CD1 4.16Å; T875-I879 WeakPolarHBondContact O-CB 3.27Å; T875-I879 WeakPolarHBondContact O-CG1 3.42Å; T875-I879 PolarHBondContact O-N 2.79Å; A876-I879 PolarHBondContact O-N 2.99Å; I879-A882 PolarHBondContact O-N 3.17Å; I879-C883 WeakPolarHBondContact O-CB 3.44Å; I879-C883 PolarHBondContact O-N 2.99Å; I879-C883 PolarHBondContact O-SG 2.96Å
880	A	87.8	Confident	81.4	Confident	4 Å²	4	39.4 Å²	39.4	3%	0.033	22%	0.222	C	C	.	.	H	α-helix	trans	-67.9	-32.9	173.8	0	0	0	0	0	113.7	A876 V877 N878 K884 L885 L886 L990	A876-A880 PolarHBondContact O-N 3.01Å; V877-A880 CarbonylContact O-C 3.44Å; V877-A880 WeakPolarHBondContact O-CA 3.33Å; V877-A880 WeakPolarHBondContact O-CB 3.39Å; V877-A880 PolarHBondContact O-N 2.98Å; V877-A880 VanDerWaalsContact O-N 3.15Å; N878-A880 VanDerWaalsContact C-N 3.31Å; A880-K884 PolarHBondContact O-N 3.26Å; A880-L885 HydrophobicContact CB-CB 4.23Å; A880-L885 HydrophobicContact CB-CD2 4.11Å; A880-L885 HydrophobicContact CB-CG 4.42Å; A880-L885 WeakPolarHBondContact O-CA 3.13Å; A880-L885 WeakPolarHBondContact O-CB 3.13Å; A880-L885 PolarHBondContact O-N 2.91Å; A880-L886 HydrophobicContact CB-CD1 3.82Å; A880-L886 HydrophobicContact CB-CG 4.06Å; A880-L886 PolarHBondContact O-N 2.71Å; A880-L990 HydrophobicContact CB-CD1 3.88Å; A880-L990 HydrophobicContact CB-CD2 3.77Å; A880-L990 HydrophobicContact CB-CG 4.45Å
881	Y	84.6	Confident	81.8	Confident	75 Å²	75	40.9 Å²	40.9	29%	0.294	22%	0.216	S	C	.	.	H	α-helix	trans	-66.9	-48.2	168.6	-75.1	-55.9	0	0	0	111.9	V877 N878 C883 K884 L886 I892	V877-Y881 HydrophobicContact CG1-CD2 3.88Å; V877-Y881 HydrophobicContact CG1-CE2 3.51Å; V877-Y881 WeakPolarHBondContact O-CD2 3.45Å; V877-Y881 PolarHBondContact O-N 3.11Å; N878-Y881 PolarHBondContact O-N 2.95Å; Y881-C883 VanDerWaalsContact C-N 3.3Å; Y881-C883 PolarHBondContact O-N 3.31Å; Y881-K884 PolarHBondContact O-N 3.39Å; Y881-L886 HydrophobicContact CD1-CB 3.57Å; Y881-L886 WeakPolarHBondContact CD1-O 3.45Å; Y881-L886 HydrophobicContact CE1-CB 3.61Å; Y881-L886 HydrophobicContact CG-CB 4.31Å; Y881-I892 HydrophobicContact CE2-CD1 4.49Å; Y881-I892 WeakPolarHBondContact OH-CD1 3.34Å
882	A	82.9	Confident	82.5	Confident	54 Å²	54	41.4 Å²	41.4	45%	0.446	22%	0.218	S	C	.	.	H	α-helix	trans	-60.6	-39.5	178.8	0	0	0	0	0	112.3	L847 N878 I879 K884	L847-A882 HydrophobicContact CD1-CB 3.88Å; N878-A882 WeakPolarHBondContact O-CB 3.37Å; N878-A882 PolarHBondContact O-N 3.48Å; I879-A882 PolarHBondContact O-N 3.17Å; A882-K884 PolarHBondContact O-N 3.23Å
883	C	86.1	Confident	83.5	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	0.1	173.4	-73.7	0	0	0	0	114.9	L847 V851 I855 I879 Y881 L885	L847-C883 VanDerWaalsContact CD2-SG 3.59Å; V851-C883 HydrophobicContact CG1-CB 4.45Å; I855-C883 HydrophobicContact CD1-CB 3.71Å; I855-C883 VanDerWaalsContact CG2-O 3.29Å; I855-C883 WeakPolarHBondContact CG2-O 3.48Å; I879-C883 WeakPolarHBondContact O-CB 3.44Å; I879-C883 PolarHBondContact O-N 2.99Å; I879-C883 PolarHBondContact O-SG 2.96Å; Y881-C883 VanDerWaalsContact C-N 3.3Å; Y881-C883 PolarHBondContact O-N 3.31Å; C883-L885 HydrophobicContact CB-CB 4.35Å; C883-L885 PolarHBondContact O-N 3Å
884	K	84.1	Confident	83.9	Confident	96 Å²	96	41.6 Å²	41.6	42%	0.417	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	34	-174.3	-54.8	167.5	-165.3	169.9	0	112.4	P852 E853 R859 A880 Y881 A882	P852-K884 HydrophobicContact CB-CB 4.45Å; P852-K884 HydrophobicContact CB-CD 3.56Å; P852-K884 HydrophobicContact CB-CG 3.93Å; E853-K884 IonicContact OE1-NZ 3.48Å; E853-K884 PolarHBondContact OE1-NZ 2.59Å; R859-K884 PolarHBondContact NH1-O 3.42Å; A880-K884 PolarHBondContact O-N 3.26Å; Y881-K884 PolarHBondContact O-N 3.39Å; A882-K884 PolarHBondContact O-N 3.23Å
885	L	87.4	Confident	84.5	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-95.2	-32.6	176.9	175.7	64	0	0	0	112.2	I855 R859 I865 V867 A880 C883 S988 L990	I855-L885 HydrophobicContact CG2-CB 4.2Å; I855-L885 HydrophobicContact CG2-CD1 4.46Å; R859-L885 PolarHBondContact NH2-O 3.27Å; I865-L885 HydrophobicContact CB-CD1 3.72Å; I865-L885 HydrophobicContact CG2-CD1 3.89Å; V867-L885 HydrophobicContact CB-CD2 4.39Å; V867-L885 HydrophobicContact CG2-CD2 3.38Å; A880-L885 HydrophobicContact CB-CB 4.23Å; A880-L885 HydrophobicContact CB-CD2 4.11Å; A880-L885 HydrophobicContact CB-CG 4.42Å; A880-L885 WeakPolarHBondContact O-CA 3.13Å; A880-L885 WeakPolarHBondContact O-CB 3.13Å; A880-L885 PolarHBondContact O-N 2.91Å; C883-L885 HydrophobicContact CB-CB 4.35Å; C883-L885 PolarHBondContact O-N 3Å; L885-S988 WeakPolarHBondContact O-CB 3.32Å; L885-S988 PolarHBondContact O-OG 3.13Å; L885-S988 VanDerWaalsContact O-OG 3.09Å; L885-L990 HydrophobicContact CD2-CD1 3.96Å
886	L	86.1	Confident	85.2	Confident	3 Å²	3	40.5 Å²	40.5	2%	0.016	22%	0.221	C	C	.	.	S	Bend	trans	-107.6	135.9	159.6	-70.4	167.5	0	0	0	107.5	V877 A880 Y881 E890 I892 S988	V877-L886 HydrophobicContact CG1-CD1 4.23Å; A880-L886 HydrophobicContact CB-CD1 3.82Å; A880-L886 HydrophobicContact CB-CG 4.06Å; A880-L886 PolarHBondContact O-N 2.71Å; Y881-L886 HydrophobicContact CD1-CB 3.57Å; Y881-L886 WeakPolarHBondContact CD1-O 3.45Å; Y881-L886 HydrophobicContact CE1-CB 3.61Å; Y881-L886 HydrophobicContact CG-CB 4.31Å; L886-E890 WeakPolarHBondContact CA-OE2 3.29Å; L886-I892 HydrophobicContact CD1-CD1 3.96Å; L886-S988 VanDerWaalsContact CD2-OG 3.25Å; L886-S988 WeakPolarHBondContact CD2-OG 3.46Å
887	D	81.8	Confident	85.4	Confident	35 Å²	35	40.4 Å²	40.4	19%	0.187	22%	0.221	C	C	.	.			trans	-94	144.7	168.7	-41.1	-25.2	0	0	0	108.5	R859 D889 E890 R987	R859-D887 IonicContact CZ-OD1 2.57Å; R859-D887 IonicContact NH1-OD1 2.71Å; R859-D887 PolarHBondContact NH1-OD1 2.86Å; R859-D887 IonicContact NH1-OD2 2.66Å; R859-D887 IonicContact NH2-OD1 2.79Å; R859-D887 PolarHBondContact NH2-OD1 2.93Å; D887-D889 PolarHBondContact O-N 3.45Å; D887-E890 HydrophobicContact CB-CG 3.93Å; D887-E890 PolarHBondContact N-OE2 3.13Å; D887-E890 WeakPolarHBondContact O-CB 3.28Å; D887-E890 WeakPolarHBondContact O-CG 3.47Å; D887-E890 PolarHBondContact O-N 2.74Å; D887-R987 IonicContact OD2-CZ 3.3Å; D887-R987 IonicContact OD2-NH1 2.81Å; D887-R987 PolarHBondContact OD2-NH1 3.04Å; D887-R987 IonicContact OD2-NH2 2.82Å; D887-R987 PolarHBondContact OD2-NH2 2.75Å
888	P	74.9	Confident	85.6	Confident	114 Å²	114	45 Å²	45	74%	0.74	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-16.2	-177	-27.9	36.7	0	0	0	116.2
889	D	77	Confident	86	Confident	124 Å²	124	45.3 Å²	45.3	66%	0.663	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-3.1	173.7	-58.3	-26.3	0	0	0	113.4	D887 R957	D887-D889 PolarHBondContact O-N 3.45Å; D889-R957 IonicContact OD2-CZ 2.96Å; D889-R957 IonicContact OD2-NH1 2.66Å; D889-R957 PolarHBondContact OD2-NH1 3.01Å
890	E	79.8	Confident	86.2	Confident	8 Å²	8	48.2 Å²	48.2	4%	0.037	26%	0.262	C	S	.	.	S	Bend	trans	-86	134.3	-177.7	-59.3	-166.4	110.9	0	0	111.5	R859 L886 D887 R957 R987	R859-E890 IonicContact NH2-OE1 2.68Å; R859-E890 IonicContact NH2-OE2 3.81Å; R859-E890 PolarHBondContact NH2-OE2 2.83Å; R859-E890 VanDerWaalsContact NH2-OE2 3.11Å; L886-E890 WeakPolarHBondContact CA-OE2 3.29Å; D887-E890 HydrophobicContact CB-CG 3.93Å; D887-E890 PolarHBondContact N-OE2 3.13Å; D887-E890 WeakPolarHBondContact O-CB 3.28Å; D887-E890 WeakPolarHBondContact O-CG 3.47Å; D887-E890 PolarHBondContact O-N 2.74Å; E890-R957 HydrophobicContact CB-CB 4.5Å; E890-R957 HydrophobicContact CG-CB 3.96Å; E890-R957 HydrophobicContact CG-CG 4.19Å; E890-R957 WeakPolarHBondContact OE1-CA 3.31Å; E890-R987 VanDerWaalsContact CD-NH1 3.25Å; E890-R987 WeakPolarHBondContact OE1-CD 3.14Å; E890-R987 IonicContact OE1-CZ 3.42Å; E890-R987 IonicContact OE1-NE 2.74Å; E890-R987 IonicContact OE1-NH1 3.51Å; E890-R987 PolarHBondContact OE1-NH1 3.05Å; E890-R987 IonicContact OE2-NH1 3.69Å
891	E	84.7	Confident	86.4	Confident	78 Å²	78	54.7 Å²	54.7	36%	0.364	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	129.8	179.5	-170	-172.9	151.5	0	0	110.4	Y913 K917 R957 L958 G959	E891-Y913 WeakPolarHBondContact OE1-CE1 3.48Å; E891-Y913 PolarHBondContact OE1-OH 2.9Å; E891-Y913 PolarHBondContact OE2-OH 3.41Å; E891-Y913 VanDerWaalsContact OE2-OH 3.05Å; E891-K917 IonicContact OE2-NZ 2.73Å; E891-K917 PolarHBondContact OE2-NZ 2.96Å; E891-R957 PolarHBondContact N-O 2.88Å; E891-L958 HydrophobicContact CB-CD2 4.1Å; E891-L958 CarbonylContact O-C 3.58Å; E891-L958 VanDerWaalsContact O-CA 3.31Å; E891-L958 WeakPolarHBondContact O-CA 3.43Å; E891-G959 PolarHBondContact O-N 3.23Å
892	I	89	Confident	86.7	Confident	48 Å²	48	54.3 Å²	54.3	25%	0.246	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	113.7	-176.4	-61.2	177.2	0	0	0	110.7	V877 Y881 L886 T894 G959 V961	V877-I892 HydrophobicContact CG1-CD1 3.93Å; Y881-I892 HydrophobicContact CE2-CD1 4.49Å; Y881-I892 WeakPolarHBondContact OH-CD1 3.34Å; L886-I892 HydrophobicContact CD1-CD1 3.96Å; I892-T894 PolarHBondContact O-N 3.01Å; I892-G959 WeakPolarHBondContact CA-O 3.27Å; I892-V961 HydrophobicContact CG2-CB 4.03Å; I892-V961 HydrophobicContact CG2-CG2 3.48Å; I892-V961 VanDerWaalsContact CG2-CG2 3.48Å
893	I	91.5	Very high	87.1	Confident	12 Å²	12	51.8 Å²	51.8	6%	0.062	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	117.4	165.1	-59.9	176.4	0	0	0	107.6	I914 L958 G959 L960 V961	I893-I914 HydrophobicContact CD1-CD1 3.77Å; I893-I914 HydrophobicContact CD1-CG1 3.81Å; I893-L958 HydrophobicContact CD1-CD1 4.36Å; I893-G959 PolarHBondContact N-O 3.47Å; I893-L960 HydrophobicContact CB-CD1 4.12Å; I893-L960 HydrophobicContact CG2-CD1 3.91Å; I893-V961 PolarHBondContact O-N 2.94Å
894	T	91.6	Very high	87.4	Confident	63 Å²	63	52.3 Å²	52.3	39%	0.387	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	124.4	176	-66.4	0	0	0	0	110.3	Q873 I892 N896 V961	Q873-T894 VanDerWaalsContact NE2-CG2 3.28Å; Q873-T894 PolarHBondContact NE2-OG1 3.24Å; I892-T894 PolarHBondContact O-N 3.01Å; T894-N896 HydrophobicContact CG2-CB 4.45Å; T894-N896 WeakPolarHBondContact CG2-ND2 3.14Å; T894-V961 CarbonylContact C-O 3.52Å; T894-V961 WeakPolarHBondContact CA-O 3.26Å
895	L	92.1	Very high	87.8	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	100.3	174.4	-65.8	-179.7	0	0	0	109.7	L906 L907 S910 L960 V961 I962 D963 T966	L895-L906 HydrophobicContact CD2-CB 4.26Å; L895-L907 HydrophobicContact CD1-CD2 3.73Å; L895-S910 WeakPolarHBondContact CD2-OG 3.37Å; L895-L960 HydrophobicContact CD1-CD1 3.82Å; L895-L960 HydrophobicContact CG-CD1 3.99Å; L895-V961 PolarHBondContact N-O 3.38Å; L895-I962 HydrophobicContact CB-CB 4.19Å; L895-I962 HydrophobicContact CB-CD1 4.25Å; L895-I962 HydrophobicContact CB-CG1 3.96Å; L895-I962 HydrophobicContact CD1-CD1 4.18Å; L895-I962 WeakPolarHBondContact O-CA 3.35Å; L895-D963 PolarHBondContact O-N 2.94Å; L895-T966 HydrophobicContact CB-CG2 4.09Å; L895-T966 PolarHBondContact O-OG1 3.15Å
896	N	91.3	Very high	88	Confident	70 Å²	70	53.3 Å²	53.3	37%	0.374	29%	0.292	S	S	.	.			trans	-128.6	112.3	174.9	-75	-22.7	0	0	0	108.8	Q873 T894 L906 D963 T966	Q873-N896 PolarHBondContact OE1-ND2 3.02Å; T894-N896 HydrophobicContact CG2-CB 4.45Å; T894-N896 WeakPolarHBondContact CG2-ND2 3.14Å; N896-L906 WeakPolarHBondContact O-CD1 3.47Å; N896-D963 WeakPolarHBondContact OD1-CB 3.19Å; N896-T966 WeakPolarHBondContact CA-OG1 3.42Å
897	A	90	Very high	88.3	Confident	2 Å²	2	53.1 Å²	53.1	2%	0.017	29%	0.291	C	S	.	.			trans	-129.4	145.6	-177.9	0	0	0	0	0	111.3	D902 C903 L906 T966	A897-D902 WeakPolarHBondContact CA-OD2 3.26Å; A897-D902 HydrophobicContact CB-CB 4.36Å; A897-D902 WeakPolarHBondContact CB-OD2 3.37Å; A897-C903 HydrophobicContact CB-CB 3.73Å; A897-L906 HydrophobicContact CB-CD1 3.88Å; A897-T966 HydrophobicContact CB-CG2 3.85Å; A897-T966 PolarHBondContact N-OG1 3.13Å
898	D	88	Confident	88.8	Confident	114 Å²	114	54.7 Å²	54.7	61%	0.61	30%	0.297	S	S	*	.	S	Bend	trans	-102.3	-6.1	175.9	-75.8	-40.8	0	0	0	113.3	D902 R965	D898-D902 PolarHBondContact N-OD2 3.17Å; D898-R965 IonicContact OD1-CZ 3.95Å; D898-R965 IonicContact OD1-NH1 2.97Å; D898-R965 PolarHBondContact OD1-NH1 2.58Å; D898-R965 IonicContact OD1-NH2 3.87Å; D898-R965 PolarHBondContact OD1-NH2 3.43Å
899	S	90.9	Very high	89.6	Confident	39 Å²	39	54.4 Å²	54.4	27%	0.273	29%	0.286	S	S	.	.	S	Bend	trans	-139.3	170.3	171	100.4	0	0	0	0	113.5	E901 D902 C903 Y969	S899-E901 VanDerWaalsContact CB-OE2 3.28Å; S899-E901 WeakPolarHBondContact CB-OE2 3.36Å; S899-E901 PolarHBondContact OG-N 3.06Å; S899-E901 PolarHBondContact OG-OE2 3.09Å; S899-D902 WeakPolarHBondContact OG-CB 3.49Å; S899-D902 PolarHBondContact OG-N 3.4Å; S899-D902 VanDerWaalsContact OG-N 3.17Å; S899-C903 WeakPolarHBondContact O-CB 3.49Å; S899-C903 PolarHBondContact O-N 2.92Å; S899-Y969 WeakPolarHBondContact O-CD2 3.36Å
900	Q	89.4	Confident	90.1	Very high	72 Å²	72	49.2 Å²	49.2	34%	0.336	26%	0.259	S	S	.	.	H	α-helix	trans	-73.1	-35.1	177.3	-177.5	169.9	-4.6	0	0	112.2	G904 Y969 D972 S974 L975	Q900-G904 PolarHBondContact O-N 3.26Å; Q900-Y969 HydrophobicContact CB-CD1 3.89Å; Q900-Y969 HydrophobicContact CB-CG 4.18Å; Q900-D972 PolarHBondContact NE2-OD2 3.27Å; Q900-D972 VanDerWaalsContact NE2-OD2 3.09Å; Q900-S974 PolarHBondContact NE2-OG 3.39Å; Q900-L975 HydrophobicContact CG-CD1 4.11Å
901	E	90.5	Very high	90.5	Very high	141 Å²	141	50.2 Å²	50.2	66%	0.659	27%	0.265	S	S	*	.	H	α-helix	trans	-67.2	-46.8	176	-54.6	75.5	-166.7	0	0	110.8	S899 G904 V905	S899-E901 VanDerWaalsContact CB-OE2 3.28Å; S899-E901 WeakPolarHBondContact CB-OE2 3.36Å; S899-E901 PolarHBondContact OG-N 3.06Å; S899-E901 PolarHBondContact OG-OE2 3.09Å; E901-G904 CarbonylContact O-C 3.6Å; E901-G904 WeakPolarHBondContact O-CA 3.21Å; E901-G904 PolarHBondContact O-N 3.11Å; E901-V905 PolarHBondContact O-N 3.03Å
902	D	91.4	Very high	90.6	Very high	66 Å²	66	53 Å²	53	35%	0.353	27%	0.271	S	S	.	.	H	α-helix	trans	-57.7	-48.1	174.5	179.2	39.4	0	0	0	111.3	A897 D898 S899 G904 V905 L906	A897-D902 WeakPolarHBondContact CA-OD2 3.26Å; A897-D902 HydrophobicContact CB-CB 4.36Å; A897-D902 WeakPolarHBondContact CB-OD2 3.37Å; D898-D902 PolarHBondContact N-OD2 3.17Å; S899-D902 WeakPolarHBondContact OG-CB 3.49Å; S899-D902 PolarHBondContact OG-N 3.4Å; S899-D902 VanDerWaalsContact OG-N 3.17Å; D902-G904 VanDerWaalsContact C-N 3.27Å; D902-G904 PolarHBondContact O-N 3Å; D902-V905 PolarHBondContact O-N 3.08Å; D902-V905 VanDerWaalsContact O-N 3.17Å; D902-L906 WeakPolarHBondContact O-CG 3.44Å; D902-L906 PolarHBondContact O-N 3.36Å
903	C	92.3	Very high	90.5	Very high	1 Å²	1	55 Å²	55	1%	0.007	28%	0.277	C	S	.	.	H	α-helix	trans	-57	-40.3	170.5	-173.3	0	0	0	0	112	A897 S899 V905 L907 Y969 L975	A897-C903 HydrophobicContact CB-CB 3.73Å; S899-C903 WeakPolarHBondContact O-CB 3.49Å; S899-C903 PolarHBondContact O-N 2.92Å; C903-V905 PolarHBondContact O-N 3Å; C903-L907 WeakPolarHBondContact O-CB 3.48Å; C903-L907 WeakPolarHBondContact O-CD1 3.33Å; C903-L907 WeakPolarHBondContact O-CG 3.22Å; C903-L907 PolarHBondContact O-N 3.22Å; C903-Y969 HydrophobicContact CB-CD2 4.35Å; C903-L975 HydrophobicContact CB-CD1 4.28Å
904	G	90.7	Very high	90.1	Very high	11 Å²	11	54.7 Å²	54.7	11%	0.113	28%	0.275	C	S	.	.	H	α-helix	trans	-62.3	-38.2	177.4	0	0	0	0	0	113.8	Q900 E901 D902 E908	Q900-G904 PolarHBondContact O-N 3.26Å; E901-G904 CarbonylContact O-C 3.6Å; E901-G904 WeakPolarHBondContact O-CA 3.21Å; E901-G904 PolarHBondContact O-N 3.11Å; D902-G904 VanDerWaalsContact C-N 3.27Å; D902-G904 PolarHBondContact O-N 3Å; G904-E908 PolarHBondContact O-N 3.4Å
905	V	93	Very high	89.6	Confident	73 Å²	73	56.1 Å²	56.1	44%	0.442	28%	0.278	S	S	.	.	H	α-helix	trans	-70.7	-51.2	175.3	175.6	0	0	0	0	110.7	E901 D902 C903 L907 E908 E909	E901-V905 PolarHBondContact O-N 3.03Å; D902-V905 PolarHBondContact O-N 3.08Å; D902-V905 VanDerWaalsContact O-N 3.17Å; C903-V905 PolarHBondContact O-N 3Å; V905-L907 VanDerWaalsContact C-N 3.26Å; V905-L907 PolarHBondContact O-N 3.08Å; V905-E908 WeakPolarHBondContact O-CA 3.29Å; V905-E908 PolarHBondContact O-N 2.9Å; V905-E909 HydrophobicContact CG1-CG 4.2Å; V905-E909 PolarHBondContact O-N 3.47Å
906	L	92.4	Very high	89	Confident	44 Å²	44	58.8 Å²	58.8	23%	0.23	30%	0.296	C	S	.	.	H	α-helix	trans	-58.4	-36	-179.8	-73.9	166.7	0	0	0	112.8	L895 N896 A897 D902 S910	L895-L906 HydrophobicContact CD2-CB 4.26Å; N896-L906 WeakPolarHBondContact O-CD1 3.47Å; A897-L906 HydrophobicContact CB-CD1 3.88Å; D902-L906 WeakPolarHBondContact O-CG 3.44Å; D902-L906 PolarHBondContact O-N 3.36Å; L906-S910 WeakPolarHBondContact O-CB 3.38Å; L906-S910 PolarHBondContact O-N 2.96Å; L906-S910 PolarHBondContact O-OG 3.34Å
907	L	92	Very high	88.1	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-66	-39.8	173	-69.7	168.4	0	0	0	112	L895 C903 V905 L911 A970 L975 K978 F979 I982	L895-L907 HydrophobicContact CD1-CD2 3.73Å; C903-L907 WeakPolarHBondContact O-CB 3.48Å; C903-L907 WeakPolarHBondContact O-CD1 3.33Å; C903-L907 WeakPolarHBondContact O-CG 3.22Å; C903-L907 PolarHBondContact O-N 3.22Å; V905-L907 VanDerWaalsContact C-N 3.26Å; V905-L907 PolarHBondContact O-N 3.08Å; L907-L911 WeakPolarHBondContact O-CB 3.43Å; L907-L911 VanDerWaalsContact O-CG 3.29Å; L907-L911 WeakPolarHBondContact O-CG 3.37Å; L907-L911 PolarHBondContact O-N 3.41Å; L907-A970 HydrophobicContact CD1-CB 4.5Å; L907-L975 HydrophobicContact CD1-CB 3.88Å; L907-L975 HydrophobicContact CD1-CD1 4.08Å; L907-L975 HydrophobicContact CD1-CD2 4.13Å; L907-L975 HydrophobicContact CD1-CG 4.24Å; L907-K978 HydrophobicContact CB-CB 4.27Å; L907-K978 HydrophobicContact CB-CD 4.49Å; L907-K978 HydrophobicContact CD1-CB 4.38Å; L907-F979 HydrophobicContact CD2-CB 4.13Å; L907-F979 HydrophobicContact CD2-CD2 4.49Å; L907-I982 HydrophobicContact CB-CD1 4.12Å; L907-I982 HydrophobicContact CD2-CD1 3.4Å; L907-I982 VanDerWaalsContact CD2-CD1 3.4Å; L907-I982 HydrophobicContact CG-CD1 4.36Å; L907-I982 WeakPolarHBondContact O-CD1 3.49Å
908	E	91.8	Very high	86.9	Confident	68 Å²	68	61.8 Å²	61.8	32%	0.318	31%	0.305	S	S	.	.	H	α-helix	trans	-71.9	-40.1	176.5	-75.5	-172.3	-166	0	0	113.2	G904 V905 L911 R912 K978	G904-E908 PolarHBondContact O-N 3.4Å; V905-E908 WeakPolarHBondContact O-CA 3.29Å; V905-E908 PolarHBondContact O-N 2.9Å; E908-L911 PolarHBondContact O-N 2.89Å; E908-R912 WeakPolarHBondContact O-CG 3.28Å; E908-R912 PolarHBondContact O-N 3.24Å; E908-R912 IonicContact OE2-CZ 2.66Å; E908-R912 IonicContact OE2-NH1 2.8Å; E908-R912 IonicContact OE2-NH2 3.31Å; E908-R912 PolarHBondContact OE2-NH2 3.44Å; E908-K978 HydrophobicContact CG-CD 4.36Å; E908-K978 IonicContact OE1-NZ 2.72Å; E908-K978 PolarHBondContact OE1-NZ 3.26Å
909	E	91.5	Very high	85.4	Confident	108 Å²	108	61.8 Å²	61.8	51%	0.505	31%	0.305	S	S	.	.	H	α-helix	trans	-64.1	-43.3	175	-68.5	-172.8	160.9	0	0	111.2	V905 L911 R912 Y913	V905-E909 HydrophobicContact CG1-CG 4.2Å; V905-E909 PolarHBondContact O-N 3.47Å; E909-L911 VanDerWaalsContact C-N 3.34Å; E909-L911 PolarHBondContact O-N 3.47Å; E909-R912 PolarHBondContact O-N 2.83Å; E909-Y913 WeakPolarHBondContact O-CB 3.47Å; E909-Y913 PolarHBondContact O-N 2.77Å
910	S	88.9	Confident	83.3	Confident	14 Å²	14	65.2 Å²	65.2	10%	0.098	33%	0.328	C	S	.	.	H	α-helix	trans	-60	-42.2	173.1	-62.7	0	0	0	0	112	L895 L906 Y913 I914	L895-S910 WeakPolarHBondContact CD2-OG 3.37Å; L906-S910 WeakPolarHBondContact O-CB 3.38Å; L906-S910 PolarHBondContact O-N 2.96Å; L906-S910 PolarHBondContact O-OG 3.34Å; S910-Y913 PolarHBondContact O-N 3.44Å; S910-I914 VanDerWaalsContact O-CB 3.26Å; S910-I914 WeakPolarHBondContact O-CB 3.41Å; S910-I914 WeakPolarHBondContact O-CD1 3.11Å; S910-I914 WeakPolarHBondContact O-CG1 3.4Å; S910-I914 PolarHBondContact O-N 2.91Å
911	L	87.8	Confident	81.3	Confident	30 Å²	30	67.6 Å²	67.6	16%	0.157	34%	0.343	C	S	.	.	H	α-helix	trans	-65.1	-41.2	175.1	-77.7	169.1	0	0	0	112.6	L907 E908 E909 Q915 K978 A981 I982	L907-L911 WeakPolarHBondContact O-CB 3.43Å; L907-L911 VanDerWaalsContact O-CG 3.29Å; L907-L911 WeakPolarHBondContact O-CG 3.37Å; L907-L911 PolarHBondContact O-N 3.41Å; E908-L911 PolarHBondContact O-N 2.89Å; E909-L911 VanDerWaalsContact C-N 3.34Å; E909-L911 PolarHBondContact O-N 3.47Å; L911-Q915 WeakPolarHBondContact O-CB 3.26Å; L911-Q915 WeakPolarHBondContact O-CG 3.2Å; L911-Q915 PolarHBondContact O-N 3.2Å; L911-K978 HydrophobicContact CD1-CB 4.09Å; L911-K978 HydrophobicContact CD1-CG 4.29Å; L911-A981 HydrophobicContact CD2-CB 3.97Å; L911-I982 HydrophobicContact CD1-CG1 4.5Å; L911-I982 HydrophobicContact CD2-CG1 3.63Å; L911-I982 HydrophobicContact CG-CD1 4.12Å; L911-I982 HydrophobicContact CG-CG1 3.65Å
912	R	87.1	Confident	78.9	Confident	135 Å²	135	63.2 Å²	63.2	51%	0.509	33%	0.328	S	S	.	.	H	α-helix	trans	-65.2	-41.3	175.2	-71.4	173.6	-168.8	115.8	11.8	111.7	E908 E909 Q915 S916	E908-R912 WeakPolarHBondContact O-CG 3.28Å; E908-R912 PolarHBondContact O-N 3.24Å; E908-R912 IonicContact OE2-CZ 2.66Å; E908-R912 IonicContact OE2-NH1 2.8Å; E908-R912 IonicContact OE2-NH2 3.31Å; E908-R912 PolarHBondContact OE2-NH2 3.44Å; E909-R912 PolarHBondContact O-N 2.83Å; R912-Q915 PolarHBondContact O-N 3.11Å; R912-S916 PolarHBondContact O-N 3.1Å; R912-S916 PolarHBondContact O-OG 3.47Å
913	Y	85.8	Confident	76.4	Confident	92 Å²	92	72.5 Å²	72.5	36%	0.361	36%	0.358	S	S	.	.	H	α-helix	trans	-63.6	-47.1	176.8	178.5	-117.6	0	0	0	111.8	E891 E909 S910 Q915 S916 K917	E891-Y913 WeakPolarHBondContact OE1-CE1 3.48Å; E891-Y913 PolarHBondContact OE1-OH 2.9Å; E891-Y913 PolarHBondContact OE2-OH 3.41Å; E891-Y913 VanDerWaalsContact OE2-OH 3.05Å; E909-Y913 WeakPolarHBondContact O-CB 3.47Å; E909-Y913 PolarHBondContact O-N 2.77Å; S910-Y913 PolarHBondContact O-N 3.44Å; Y913-Q915 PolarHBondContact O-N 3.31Å; Y913-S916 PolarHBondContact O-N 3.07Å; Y913-S916 PolarHBondContact O-OG 3.01Å; Y913-K917 WeakPolarHBondContact O-CB 3.39Å; Y913-K917 PolarHBondContact O-N 2.88Å; Y913-K917 VanDerWaalsContact O-N 3.08Å
914	I	83.5	Confident	74	Confident	5 Å²	5	77.4 Å²	77.4	3%	0.026	38%	0.384	C	S	.	.	H	α-helix	trans	-53.4	-54.1	171.1	-77.9	170.8	0	0	0	110.1	I893 S910 S916 K917 F918 L958 I982	I893-I914 HydrophobicContact CD1-CD1 3.77Å; I893-I914 HydrophobicContact CD1-CG1 3.81Å; S910-I914 VanDerWaalsContact O-CB 3.26Å; S910-I914 WeakPolarHBondContact O-CB 3.41Å; S910-I914 WeakPolarHBondContact O-CD1 3.11Å; S910-I914 WeakPolarHBondContact O-CG1 3.4Å; S910-I914 PolarHBondContact O-N 2.91Å; I914-S916 PolarHBondContact O-N 3.16Å; I914-K917 PolarHBondContact O-N 3.24Å; I914-F918 HydrophobicContact CG2-CD2 3.73Å; I914-F918 HydrophobicContact CG2-CE2 3.49Å; I914-F918 VanDerWaalsContact CG2-CE2 3.49Å; I914-F918 WeakPolarHBondContact O-CD2 3.35Å; I914-F918 PolarHBondContact O-N 3.47Å; I914-L958 HydrophobicContact CG1-CD1 4.3Å; I914-I982 HydrophobicContact CD1-CB 4.3Å; I914-I982 HydrophobicContact CD1-CG1 4.29Å; I914-I982 HydrophobicContact CD1-CG2 3.83Å
915	Q	81.7	Confident	71.7	Confident	93 Å²	93	81.3 Å²	81.3	44%	0.435	41%	0.407	S	S	.	.	H	α-helix	trans	-60.5	-40.9	-178.6	-74.8	168.5	3.7	0	0	113.6	L911 R912 Y913 F918 L919	L911-Q915 WeakPolarHBondContact O-CB 3.26Å; L911-Q915 WeakPolarHBondContact O-CG 3.2Å; L911-Q915 PolarHBondContact O-N 3.2Å; R912-Q915 PolarHBondContact O-N 3.11Å; Y913-Q915 PolarHBondContact O-N 3.31Å; Q915-F918 PolarHBondContact O-N 3.03Å; Q915-L919 WeakPolarHBondContact O-CG 3.07Å; Q915-L919 PolarHBondContact O-N 3.33Å
916	S	78.4	Confident	69.5	Low	57 Å²	57	81.6 Å²	81.6	40%	0.399	41%	0.413	S	S	.	.	H	α-helix	trans	-66.1	-39.6	177.5	68.7	0	0	0	0	111.5	R912 Y913 I914 F918 L919 C920	R912-S916 PolarHBondContact O-N 3.1Å; R912-S916 PolarHBondContact O-OG 3.47Å; Y913-S916 PolarHBondContact O-N 3.07Å; Y913-S916 PolarHBondContact O-OG 3.01Å; I914-S916 PolarHBondContact O-N 3.16Å; S916-F918 PolarHBondContact O-N 3.15Å; S916-L919 PolarHBondContact O-N 3.11Å; S916-C920 PolarHBondContact O-N 3.27Å; S916-C920 VanDerWaalsContact O-N 3.08Å; S916-C920 PolarHBondContact O-SG 3.38Å; S916-C920 VanDerWaalsContact O-SG 3.39Å
917	K	72.6	Confident	67.2	Low	61 Å²	61	81.5 Å²	81.5	27%	0.265	41%	0.414	S	S	.	.	H	α-helix	trans	-66	-33.9	175.7	-160.5	171.8	-175.8	-178.7	0	112.8	E891 Y913 I914	E891-K917 IonicContact OE2-NZ 2.73Å; E891-K917 PolarHBondContact OE2-NZ 2.96Å; Y913-K917 WeakPolarHBondContact O-CB 3.39Å; Y913-K917 PolarHBondContact O-N 2.88Å; Y913-K917 VanDerWaalsContact O-N 3.08Å; I914-K917 PolarHBondContact O-N 3.24Å
918	F	66	Low	64.8	Low	73 Å²	73	89 Å²	89	32%	0.32	45%	0.446	S	S	.	.	H	α-helix	trans	-64.8	-45.6	168.9	-84	-74.6	0	0	0	112.3	I914 Q915 S916 C920 N921 H956	I914-F918 HydrophobicContact CG2-CD2 3.73Å; I914-F918 HydrophobicContact CG2-CE2 3.49Å; I914-F918 VanDerWaalsContact CG2-CE2 3.49Å; I914-F918 WeakPolarHBondContact O-CD2 3.35Å; I914-F918 PolarHBondContact O-N 3.47Å; Q915-F918 PolarHBondContact O-N 3.03Å; S916-F918 PolarHBondContact O-N 3.15Å; F918-C920 PolarHBondContact O-N 2.63Å; F918-N921 PolarHBondContact O-N 3.33Å; F918-H956 AromaticContact CD1-NE2 3.56Å; F918-H956 AromaticContact CE1-CD2 3.27Å; F918-H956 WeakPolarHBondContact CE1-CD2 3.41Å; F918-H956 AromaticContact CE1-NE2 3.08Å; F918-H956 WeakPolarHBondContact CE1-NE2 3.44Å; F918-H956 AromaticContact CZ-CD2 3.48Å; F918-H956 VanDerWaalsContact CZ-CD2 3.48Å; F918-H956 WeakPolarHBondContact CZ-CD2 3.39Å; F918-H956 AromaticContact CZ-NE2 3.81Å
919	L	55.7	Low	62.3	Low	114 Å²	114	90.4 Å²	90.4	60%	0.597	46%	0.46	S	S	*	.	H	α-helix	trans	-66.5	-32.9	-176.6	-76.9	165.4	0	0	0	113.5	Q915 S916 L931	Q915-L919 WeakPolarHBondContact O-CG 3.07Å; Q915-L919 PolarHBondContact O-N 3.33Å; S916-L919 PolarHBondContact O-N 3.11Å; L919-L931 HydrophobicContact CD2-CD1 3.93Å
920	C	47.3	Very low	60	Low	111 Å²	111	91.7 Å²	91.7	75%	0.75	46%	0.464	S	S	*	.	H	α-helix	trans	-77.5	-21.3	179.9	-67.1	0	0	0	0	114.4	S916 F918	S916-C920 PolarHBondContact O-N 3.27Å; S916-C920 VanDerWaalsContact O-N 3.08Å; S916-C920 PolarHBondContact O-SG 3.38Å; S916-C920 VanDerWaalsContact O-SG 3.39Å; F918-C920 PolarHBondContact O-N 2.63Å
921	N	46.8	Very low	57.8	Low	123 Å²	123	94.4 Å²	94.4	66%	0.658	48%	0.477	S	S	*	.	H	α-helix	trans	-100.9	-6.8	-170.1	-92.6	-1.9	0	0	0	115.8	F918	F918-N921 PolarHBondContact O-N 3.33Å
922	S	39.9	Very low	55.6	Low	49 Å²	49	95.8 Å²	95.8	34%	0.343	49%	0.489	S	S	.	.			trans	-112	124.7	179.7	-173.1	0	0	0	0	113.1	D924 T927	S922-D924 PolarHBondContact OG-N 3.46Å; S922-D924 VanDerWaalsContact OG-N 3.09Å; S922-T927 PolarHBondContact OG-OG1 3.46Å
923	R	38.7	Very low	53.4	Low	260 Å²	260	94.7 Å²	94.7	98%	0.981	49%	0.494	S	S	*	.			trans	-92.3	1.1	163.6	-88.3	-174.4	170.2	-177.3	-2.5	113
924	D	42.7	Very low	51.6	Low	105 Å²	105	94.5 Å²	94.5	56%	0.561	50%	0.498	S	S	*	.			trans	-91.2	123.8	-168.5	-124.8	-38.7	0	0	0	112.4	S922 S926 T927	S922-D924 PolarHBondContact OG-N 3.46Å; S922-D924 VanDerWaalsContact OG-N 3.09Å; D924-S926 VanDerWaalsContact C-N 3.26Å; D924-S926 PolarHBondContact O-N 2.92Å; D924-T927 PolarHBondContact O-N 2.8Å; D924-T927 PolarHBondContact O-OG1 3.03Å
925	P	42.8	Very low	49.4	Very low	92 Å²	92	98.1 Å²	98.1	60%	0.597	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-22.9	-176	26.9	-34.8	0	0	0	113.6	T927 K928	P925-T927 PolarHBondContact O-N 3.44Å; P925-K928 WeakPolarHBondContact O-CB 3.34Å; P925-K928 PolarHBondContact O-N 3.29Å; P925-K928 VanDerWaalsContact O-N 3.13Å
926	S	46.4	Very low	47.1	Very low	80 Å²	80	101 Å²	101	56%	0.559	54%	0.542	S	S	*	.	H	α-helix	trans	-55.6	-35.1	174.8	54.8	0	0	0	0	112.8	D924 K928 T929	D924-S926 VanDerWaalsContact C-N 3.26Å; D924-S926 PolarHBondContact O-N 2.92Å; S926-K928 PolarHBondContact O-N 3.46Å; S926-T929 PolarHBondContact O-N 3.33Å
927	T	44.3	Very low	44.8	Very low	41 Å²	41	107.4 Å²	107.4	25%	0.252	56%	0.563	S	S	.	*	H	α-helix	trans	-61.5	-28.1	179	-19.2	0	0	0	0	113.3	S922 D924 P925 F930 L931	S922-T927 PolarHBondContact OG-OG1 3.46Å; D924-T927 PolarHBondContact O-N 2.8Å; D924-T927 PolarHBondContact O-OG1 3.03Å; P925-T927 PolarHBondContact O-N 3.44Å; T927-F930 WeakPolarHBondContact O-CB 3.05Å; T927-F930 PolarHBondContact O-N 3.47Å; T927-L931 PolarHBondContact O-N 3Å
928	K	40.6	Very low	42.6	Very low	157 Å²	157	113 Å²	113	68%	0.683	59%	0.59	S	S	*	*	H	α-helix	trans	-68.6	-36.6	-177.3	-66.9	-175.8	176.1	-179.4	0	112.3	P925 S926 F930 L931 S932	P925-K928 WeakPolarHBondContact O-CB 3.34Å; P925-K928 PolarHBondContact O-N 3.29Å; P925-K928 VanDerWaalsContact O-N 3.13Å; S926-K928 PolarHBondContact O-N 3.46Å; K928-F930 PolarHBondContact O-N 3.12Å; K928-L931 PolarHBondContact O-N 3.09Å; K928-S932 PolarHBondContact O-N 3.03Å
929	T	39.2	Very low	41.2	Very low	99 Å²	99	115.8 Å²	115.8	61%	0.607	61%	0.607	S	S	*	*	H	α-helix	trans	-70.2	-21.2	176	-39.9	0	0	0	0	112.4	S926 S932	S926-T929 PolarHBondContact O-N 3.33Å; T929-S932 PolarHBondContact O-OG 3.27Å
930	F	43.8	Very low	39.7	Very low	134 Å²	134	120.1 Å²	120.1	59%	0.588	62%	0.617	S	S	*	*	H	α-helix	trans	-79.8	-37.1	172.8	-153.5	-91.8	0	0	0	111.6	T927 K928 N933 I934	T927-F930 WeakPolarHBondContact O-CB 3.05Å; T927-F930 PolarHBondContact O-N 3.47Å; K928-F930 PolarHBondContact O-N 3.12Å; F930-N933 PolarHBondContact O-N 2.89Å; F930-I934 HydrophobicContact CD1-CD1 4.36Å
931	L	42.5	Very low	39	Very low	72 Å²	72	121 Å²	121	38%	0.377	62%	0.621	S	S	.	*	H	α-helix	trans	-67.1	-35.8	177.7	-74.6	165.3	0	0	0	113.1	L919 T927 K928 N933 I934 A935	L919-L931 HydrophobicContact CD2-CD1 3.93Å; T927-L931 PolarHBondContact O-N 3Å; K928-L931 PolarHBondContact O-N 3.09Å; L931-N933 PolarHBondContact O-N 2.73Å; L931-I934 HydrophobicContact CD2-CD1 4.47Å; L931-I934 PolarHBondContact O-N 2.84Å; L931-A935 PolarHBondContact O-N 3.34Å
932	S	41.7	Very low	38	Very low	58 Å²	58	123.9 Å²	123.9	41%	0.406	63%	0.63	S	S	.	*	H	α-helix	trans	-59.5	-32.7	173.4	47.7	0	0	0	0	112.9	K928 T929 I934 A935 H936	K928-S932 PolarHBondContact O-N 3.03Å; T929-S932 PolarHBondContact O-OG 3.27Å; S932-I934 VanDerWaalsContact C-N 3.29Å; S932-I934 PolarHBondContact O-N 3.43Å; S932-A935 PolarHBondContact O-N 3.25Å; S932-H936 PolarHBondContact O-N 3.45Å
933	N	41	Very low	37.5	Very low	113 Å²	113	126.8 Å²	126.8	60%	0.604	65%	0.651	S	S	*	*	H	α-helix	trans	-80.2	-9	178.3	-64.1	-2.1	0	0	0	113.3	F930 L931	F930-N933 PolarHBondContact O-N 2.89Å; L931-N933 PolarHBondContact O-N 2.73Å
934	I	47.3	Very low	37	Very low	87 Å²	87	119.7 Å²	119.7	45%	0.446	64%	0.641	S	S	.	*	H	α-helix	trans	-86.5	-27.7	169.8	-64.4	177.1	0	0	0	110.4	F930 L931 S932	F930-I934 HydrophobicContact CD1-CD1 4.36Å; L931-I934 HydrophobicContact CD2-CD1 4.47Å; L931-I934 PolarHBondContact O-N 2.84Å; S932-I934 VanDerWaalsContact C-N 3.29Å; S932-I934 PolarHBondContact O-N 3.43Å
935	A	37.6	Very low	36.3	Very low	82 Å²	82	122.6 Å²	122.6	68%	0.678	66%	0.656	S	S	*	*	H	α-helix	trans	-76.2	-32.7	176.1	0	0	0	0	0	113.5	L931 S932	L931-A935 PolarHBondContact O-N 3.34Å; S932-A935 PolarHBondContact O-N 3.25Å
936	H	33.2	Very low	35.7	Very low	154 Å²	154	123.4 Å²	123.4	71%	0.713	66%	0.663	S	S	*	*			trans	-105.6	82.4	177.7	-84.6	-85.3	0	0	0	112.3	S932 E938	S932-H936 PolarHBondContact O-N 3.45Å; H936-E938 VanDerWaalsContact C-N 3.27Å; H936-E938 PolarHBondContact O-N 3.08Å; H936-E938 VanDerWaalsContact O-N 3.12Å
937	F	31.6	Very low	34.7	Very low	190 Å²	190	125.3 Å²	125.3	83%	0.833	68%	0.677	S	S	*	*			trans	-85.9	61.2	174.4	-151.2	-87.6	0	0	0	111.9
938	E	24.9	Very low	34.3	Very low	179 Å²	179	129 Å²	129	84%	0.836	71%	0.705	S	S	*	*			trans	-91.7	163.3	165.9	-76.6	-154.4	137.7	0	0	112.2	H936	H936-E938 VanDerWaalsContact C-N 3.27Å; H936-E938 PolarHBondContact O-N 3.08Å; H936-E938 VanDerWaalsContact O-N 3.12Å
939	I	37	Very low	33.8	Very low	132 Å²	132	130.3 Å²	130.3	68%	0.677	71%	0.713	S	S	*	*			trans	-103.9	154.2	-156.6	-59.6	169.3	0	0	0	110.7
940	Y	24.4	Very low	33.4	Very low	205 Å²	205	132 Å²	132	80%	0.804	72%	0.723	S	S	*	*			trans	80.4	116.8	178.2	-51.4	-76.9	0	0	0	116.7
941	P	33.7	Very low	32.9	Very low	128 Å²	128	129.9 Å²	129.9	83%	0.831	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-78.9	120	151.4	31.8	-28.3	0	0	0	109.3
942	Q	23.8	Very low	32.3	Very low	184 Å²	184	134.9 Å²	134.9	86%	0.86	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-75.9	167	162	-77.3	-166.8	-13.3	0	0	111
943	S	29.9	Very low	32.2	Very low	110 Å²	110	137.2 Å²	137.2	77%	0.769	76%	0.755	S	S	*	*	S	Bend	trans	-75.5	152.2	-172.6	48.3	0	0	0	0	114.5
944	S	29	Very low	32.4	Very low	112 Å²	112	138.2 Å²	138.2	78%	0.783	76%	0.758	S	S	*	*			trans	68.3	131.1	179.6	78.4	0	0	0	0	113.6
945	L	27.8	Very low	32.5	Very low	165 Å²	165	136 Å²	136	86%	0.864	75%	0.748	S	S	*	*				-136.6	168.9	50.6	-138.9	74.3	0	0	0	114
946	S	29.6	Very low	33.5	Very low	109 Å²	109	134.1 Å²	134.1	76%	0.762	73%	0.725	S	S	*	*			trans	-91	123.7	178.3	53.7	0	0	0	0	113.4
947	S	26.9	Very low	35.4	Very low	121 Å²	121	133 Å²	133	85%	0.846	71%	0.714	S	S	*	*			trans	-168.1	150.6	144.8	46.9	0	0	0	0	111.3
948	S	35.8	Very low	38	Very low	119 Å²	119	124.1 Å²	124.1	83%	0.832	68%	0.676	S	S	*	*			trans	-93.3	100.5	-174.9	52.9	0	0	0	0	112.1
949	Q	28.9	Very low	41	Very low	183 Å²	183	115.6 Å²	115.6	86%	0.855	64%	0.636	S	S	*	*			trans	-136.2	108.6	160.3	-71	-166.2	-6.2	0	0	110.5	A951	Q949-A951 PolarHBondContact O-N 3.39Å; Q949-A951 VanDerWaalsContact O-N 3.08Å
950	T	32.1	Very low	43.7	Very low	135 Å²	135	109.3 Å²	109.3	83%	0.828	60%	0.604	S	S	*	*			trans	-72.3	94.3	168.5	39.3	0	0	0	0	109.4	H952	T950-H952 PolarHBondContact O-N 3.03Å; T950-H952 VanDerWaalsContact O-N 3.11Å
951	A	32.1	Very low	47.1	Very low	89 Å²	89	99.6 Å²	99.6	74%	0.736	57%	0.566	S	S	*	*			trans	-58.2	115.3	169.1	0	0	0	0	0	109.3	Q949 F953	Q949-A951 PolarHBondContact O-N 3.39Å; Q949-A951 VanDerWaalsContact O-N 3.08Å; A951-F953 PolarHBondContact O-N 3.19Å
952	H	31.2	Very low	50	Low	177 Å²	177	93.5 Å²	93.5	82%	0.819	53%	0.526	S	S	*	.			trans	-61.2	112.2	177.6	-106	-101.9	0	0	0	109.4	T950 M954	T950-H952 PolarHBondContact O-N 3.03Å; T950-H952 VanDerWaalsContact O-N 3.11Å; H952-M954 PolarHBondContact O-N 2.7Å
953	F	39.2	Very low	53.1	Low	107 Å²	107	85.3 Å²	85.3	47%	0.469	49%	0.488	S	S	.	.			trans	-68.4	100.1	178.4	-178.1	-118.8	0	0	0	108.4	A951 V955 R984	A951-F953 PolarHBondContact O-N 3.19Å; F953-V955 HydrophobicContact CD1-CG2 3.37Å; F953-V955 HydrophobicContact CE1-CG2 3.51Å; F953-V955 HydrophobicContact CG-CG2 4.37Å; F953-V955 PolarHBondContact O-N 3.41Å; F953-R984 HydrophobicContact CE2-CG 4.13Å; F953-R984 HydrophobicContact CZ-CG 3.7Å; F953-R984 VanDerWaalsContact CZ-O 3.26Å; F953-R984 WeakPolarHBondContact CZ-O 3.46Å
954	M	43.7	Very low	55.6	Low	135 Å²	135	80.4 Å²	80.4	67%	0.665	46%	0.455	S	S	*	.			trans	-72	83.2	179.6	-78.2	-162.6	-78.4	0	0	110.6	H952 H956	H952-M954 PolarHBondContact O-N 2.7Å; M954-H956 PolarHBondContact O-CD2 2.91Å; M954-H956 VanDerWaalsContact O-CD2 3.27Å; M954-H956 PolarHBondContact O-N 3.38Å
955	V	50.6	Low	58.3	Low	40 Å²	40	81 Å²	81	24%	0.242	44%	0.44	C	S	.	.			trans	-66.4	111	163.3	-178.6	0	0	0	0	107.8	F953 R987	F953-V955 HydrophobicContact CD1-CG2 3.37Å; F953-V955 HydrophobicContact CE1-CG2 3.51Å; F953-V955 HydrophobicContact CG-CG2 4.37Å; F953-V955 PolarHBondContact O-N 3.41Å; V955-R987 HydrophobicContact CG1-CB 3.41Å; V955-R987 VanDerWaalsContact CG1-CB 3.41Å; V955-R987 HydrophobicContact CG1-CG 3.69Å
956	H	59.2	Low	61.4	Low	43 Å²	43	73.2 Å²	73.2	20%	0.199	40%	0.399	C	S	.	.			trans	-75.5	159	176.3	-79	-97.2	0	0	0	111.3	F918 M954 L958	F918-H956 AromaticContact CD1-NE2 3.56Å; F918-H956 AromaticContact CE1-CD2 3.27Å; F918-H956 WeakPolarHBondContact CE1-CD2 3.41Å; F918-H956 AromaticContact CE1-NE2 3.08Å; F918-H956 WeakPolarHBondContact CE1-NE2 3.44Å; F918-H956 AromaticContact CZ-CD2 3.48Å; F918-H956 VanDerWaalsContact CZ-CD2 3.48Å; F918-H956 WeakPolarHBondContact CZ-CD2 3.39Å; F918-H956 AromaticContact CZ-NE2 3.81Å; M954-H956 PolarHBondContact O-CD2 2.91Å; M954-H956 VanDerWaalsContact O-CD2 3.27Å; M954-H956 PolarHBondContact O-N 3.38Å; H956-L958 HydrophobicContact CB-CD1 4.07Å; H956-L958 HydrophobicContact CB-CG 4.02Å; H956-L958 PolarHBondContact O-N 3.4Å
957	R	71.8	Confident	64.4	Low	130 Å²	130	68 Å²	68	49%	0.491	36%	0.363	S	S	.	.	S	Bend	trans	-67.9	65.6	170.7	-76.8	-170.5	178.3	-156.6	-1.6	111.3	D889 E890 E891	D889-R957 IonicContact OD2-CZ 2.96Å; D889-R957 IonicContact OD2-NH1 2.66Å; D889-R957 PolarHBondContact OD2-NH1 3.01Å; E890-R957 HydrophobicContact CB-CB 4.5Å; E890-R957 HydrophobicContact CG-CB 3.96Å; E890-R957 HydrophobicContact CG-CG 4.19Å; E890-R957 WeakPolarHBondContact OE1-CA 3.31Å; E891-R957 PolarHBondContact N-O 2.88Å
958	L	85.8	Confident	67.3	Low	3 Å²	3	64.6 Å²	64.6	2%	0.016	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	123.4	-178.7	-65.6	177.6	0	0	0	108.7	E891 I893 I914 H956 C986 R987	E891-L958 HydrophobicContact CB-CD2 4.1Å; E891-L958 CarbonylContact O-C 3.58Å; E891-L958 VanDerWaalsContact O-CA 3.31Å; E891-L958 WeakPolarHBondContact O-CA 3.43Å; I893-L958 HydrophobicContact CD1-CD1 4.36Å; I914-L958 HydrophobicContact CG1-CD1 4.3Å; H956-L958 HydrophobicContact CB-CD1 4.07Å; H956-L958 HydrophobicContact CB-CG 4.02Å; H956-L958 PolarHBondContact O-N 3.4Å; L958-C986 HydrophobicContact CB-CB 4.4Å; L958-C986 CarbonylContact O-C 3.52Å; L958-C986 WeakPolarHBondContact O-CA 3.31Å; L958-C986 WeakPolarHBondContact O-CB 3.35Å; L958-R987 PolarHBondContact O-N 3.39Å
959	G	89.7	Confident	70	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	142.9	165.3	0	0	0	0	0	110.3	E891 I892 I893	E891-G959 PolarHBondContact O-N 3.23Å; I892-G959 WeakPolarHBondContact CA-O 3.27Å; I893-G959 PolarHBondContact N-O 3.47Å
960	L	93.7	Very high	73	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	130.1	167.9	-176.5	62.4	0	0	0	110	I893 L895 F979 I982 A983 C986 S988 V989 L990	I893-L960 HydrophobicContact CB-CD1 4.12Å; I893-L960 HydrophobicContact CG2-CD1 3.91Å; L895-L960 HydrophobicContact CD1-CD1 3.82Å; L895-L960 HydrophobicContact CG-CD1 3.99Å; L960-F979 HydrophobicContact CD2-CE2 4.08Å; L960-I982 HydrophobicContact CD1-CG2 3.83Å; L960-I982 HydrophobicContact CD2-CG2 4.01Å; L960-A983 HydrophobicContact CD2-CB 3.78Å; L960-C986 HydrophobicContact CB-CB 3.99Å; L960-S988 PolarHBondContact N-O 3.24Å; L960-V989 HydrophobicContact CB-CB 4.48Å; L960-V989 HydrophobicContact CB-CG1 4.27Å; L960-V989 HydrophobicContact CB-CG2 4.14Å; L960-V989 HydrophobicContact CD2-CG1 4.03Å; L960-V989 HydrophobicContact CD2-CG2 4.37Å; L960-V989 HydrophobicContact CG-CG1 4.32Å; L960-V989 CarbonylContact O-C 3.58Å; L960-V989 WeakPolarHBondContact O-CA 3.47Å; L960-L990 PolarHBondContact O-N 2.98Å
961	V	94.4	Very high	75.8	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	128.9	175.3	-179.9	0	0	0	0	109	Q873 V877 I892 I893 T894 L895 L990	Q873-V961 HydrophobicContact CG-CG1 3.38Å; V877-V961 HydrophobicContact CG2-CG1 4.23Å; V877-V961 HydrophobicContact CG2-CG2 3.76Å; I892-V961 HydrophobicContact CG2-CB 4.03Å; I892-V961 HydrophobicContact CG2-CG2 3.48Å; I892-V961 VanDerWaalsContact CG2-CG2 3.48Å; I893-V961 PolarHBondContact O-N 2.94Å; T894-V961 CarbonylContact C-O 3.52Å; T894-V961 WeakPolarHBondContact CA-O 3.26Å; L895-V961 PolarHBondContact N-O 3.38Å; V961-L990 WeakPolarHBondContact CA-O 3.44Å; V961-L990 HydrophobicContact CG1-CB 4.48Å; V961-L990 HydrophobicContact CG2-CB 4.02Å
962	I	94.4	Very high	78.6	Confident	0 Å²	0	47 Å²	47	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	133.9	-176.2	-172.5	170.4	0	0	0	110.8	L895 T966 L967 A970 F979 L990 C991 C992	L895-I962 HydrophobicContact CB-CB 4.19Å; L895-I962 HydrophobicContact CB-CD1 4.25Å; L895-I962 HydrophobicContact CB-CG1 3.96Å; L895-I962 HydrophobicContact CD1-CD1 4.18Å; L895-I962 WeakPolarHBondContact O-CA 3.35Å; I962-T966 HydrophobicContact CD1-CG2 4.05Å; I962-T966 HydrophobicContact CG1-CG2 3.97Å; I962-L967 HydrophobicContact CD1-CB 4.13Å; I962-L967 HydrophobicContact CD1-CD1 4.15Å; I962-L967 HydrophobicContact CG1-CB 4.23Å; I962-L967 HydrophobicContact CG2-CD1 4.37Å; I962-A970 HydrophobicContact CD1-CB 3.99Å; I962-F979 HydrophobicContact CD1-CD2 4.03Å; I962-F979 HydrophobicContact CD1-CE2 3.7Å; I962-F979 HydrophobicContact CG2-CE2 4.37Å; I962-L990 PolarHBondContact N-O 3.2Å; I962-C991 HydrophobicContact CG2-CB 4.32Å; I962-C992 PolarHBondContact O-N 3.07Å
963	D	89.8	Confident	81.3	Confident	11 Å²	11	46.9 Å²	46.9	6%	0.059	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	159.4	174.7	103.3	-40.9	0	0	0	113	L895 N896 R965 T966 L967 C992	L895-D963 PolarHBondContact O-N 2.94Å; N896-D963 WeakPolarHBondContact OD1-CB 3.19Å; D963-R965 PolarHBondContact O-N 3.43Å; D963-R965 VanDerWaalsContact O-N 3.1Å; D963-R965 PolarHBondContact OD1-N 3.1Å; D963-R965 VanDerWaalsContact OD1-N 3.13Å; D963-R965 IonicContact OD2-CZ 3.78Å; D963-R965 IonicContact OD2-NE 3.42Å; D963-R965 PolarHBondContact OD2-NE 3.36Å; D963-R965 IonicContact OD2-NH2 3.78Å; D963-T966 PolarHBondContact O-N 3.16Å; D963-T966 VanDerWaalsContact OD1-CB 3.32Å; D963-T966 WeakPolarHBondContact OD1-CB 3.5Å; D963-T966 PolarHBondContact OD1-N 3.28Å; D963-T966 PolarHBondContact OD1-OG1 3.3Å; D963-L967 WeakPolarHBondContact O-CB 3.35Å; D963-L967 PolarHBondContact O-N 2.91Å; D963-C992 CarbonylContact C-O 3.6Å
964	G	82.8	Confident	83.7	Confident	8 Å²	8	45.2 Å²	45.2	8%	0.082	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-12.3	-177.8	0	0	0	0	0	115.2	C992 Q998	G964-C992 WeakPolarHBondContact CA-O 3.43Å; G964-C992 PolarHBondContact N-O 3Å; G964-Q998 PolarHBondContact O-NE2 3.32Å
965	R	85.6	Confident	86	Confident	125 Å²	125	39.3 Å²	39.3	47%	0.472	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-50.8	175.5	-58.3	179.3	-59.6	140.6	14.9	110	D898 D963 L967 A968 Y969	D898-R965 IonicContact OD1-CZ 3.95Å; D898-R965 IonicContact OD1-NH1 2.97Å; D898-R965 PolarHBondContact OD1-NH1 2.58Å; D898-R965 IonicContact OD1-NH2 3.87Å; D898-R965 PolarHBondContact OD1-NH2 3.43Å; D963-R965 PolarHBondContact O-N 3.43Å; D963-R965 VanDerWaalsContact O-N 3.1Å; D963-R965 PolarHBondContact OD1-N 3.1Å; D963-R965 VanDerWaalsContact OD1-N 3.13Å; D963-R965 IonicContact OD2-CZ 3.78Å; D963-R965 IonicContact OD2-NE 3.42Å; D963-R965 PolarHBondContact OD2-NE 3.36Å; D963-R965 IonicContact OD2-NH2 3.78Å; R965-L967 PolarHBondContact O-N 3.26Å; R965-A968 WeakPolarHBondContact O-CA 3.19Å; R965-A968 VanDerWaalsContact O-CB 3.23Å; R965-A968 WeakPolarHBondContact O-CB 3.44Å; R965-A968 PolarHBondContact O-N 2.85Å; R965-Y969 WeakPolarHBondContact O-CD2 3.28Å; R965-Y969 PolarHBondContact O-N 3.09Å
966	T	92.5	Very high	87.9	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-56.1	-41.4	172.1	-45.1	0	0	0	0	111.1	L895 N896 A897 I962 D963 A968 Y969 A970	L895-T966 HydrophobicContact CB-CG2 4.09Å; L895-T966 PolarHBondContact O-OG1 3.15Å; N896-T966 WeakPolarHBondContact CA-OG1 3.42Å; A897-T966 HydrophobicContact CB-CG2 3.85Å; A897-T966 PolarHBondContact N-OG1 3.13Å; I962-T966 HydrophobicContact CD1-CG2 4.05Å; I962-T966 HydrophobicContact CG1-CG2 3.97Å; D963-T966 PolarHBondContact O-N 3.16Å; D963-T966 VanDerWaalsContact OD1-CB 3.32Å; D963-T966 WeakPolarHBondContact OD1-CB 3.5Å; D963-T966 PolarHBondContact OD1-N 3.28Å; D963-T966 PolarHBondContact OD1-OG1 3.3Å; T966-A968 VanDerWaalsContact C-N 3.26Å; T966-A968 PolarHBondContact O-N 3.43Å; T966-Y969 PolarHBondContact O-N 3.45Å; T966-Y969 VanDerWaalsContact O-N 3.16Å; T966-A970 VanDerWaalsContact O-CB 3.29Å; T966-A970 WeakPolarHBondContact O-CB 3.24Å; T966-A970 PolarHBondContact O-N 2.96Å
967	L	92.3	Very high	89.4	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.8	-28.5	174.3	-174	64.8	0	0	0	113	I962 D963 R965 L971 F979 C991 Q998 V1002	I962-L967 HydrophobicContact CD1-CB 4.13Å; I962-L967 HydrophobicContact CD1-CD1 4.15Å; I962-L967 HydrophobicContact CG1-CB 4.23Å; I962-L967 HydrophobicContact CG2-CD1 4.37Å; D963-L967 WeakPolarHBondContact O-CB 3.35Å; D963-L967 PolarHBondContact O-N 2.91Å; R965-L967 PolarHBondContact O-N 3.26Å; L967-L971 HydrophobicContact CD1-CD1 3.97Å; L967-L971 HydrophobicContact CD1-CD2 4.48Å; L967-L971 HydrophobicContact CD1-CG 3.95Å; L967-L971 HydrophobicContact CG-CD1 3.81Å; L967-L971 HydrophobicContact CG-CG 4.22Å; L967-L971 VanDerWaalsContact O-CB 3.26Å; L967-L971 WeakPolarHBondContact O-CB 3.08Å; L967-L971 WeakPolarHBondContact O-CD1 3.42Å; L967-L971 WeakPolarHBondContact O-CG 3.32Å; L967-L971 PolarHBondContact O-N 3.36Å; L967-L971 VanDerWaalsContact O-N 3.12Å; L967-F979 HydrophobicContact CD1-CE1 4.22Å; L967-F979 HydrophobicContact CD1-CE2 4.42Å; L967-F979 HydrophobicContact CD1-CZ 3.89Å; L967-C991 HydrophobicContact CD2-CB 3.92Å; L967-Q998 HydrophobicContact CD2-CB 4.3Å; L967-V1002 HydrophobicContact CD1-CG2 3.96Å; L967-V1002 HydrophobicContact CD2-CG2 4.12Å; L967-V1002 HydrophobicContact CG-CG2 4.47Å
968	A	88.6	Confident	90.3	Very high	50 Å²	50	38 Å²	38	41%	0.413	19%	0.191	S	C	.	.	H	α-helix	trans	-68.4	-40.5	173.9	0	0	0	0	0	111.6	R965 T966	R965-A968 WeakPolarHBondContact O-CA 3.19Å; R965-A968 VanDerWaalsContact O-CB 3.23Å; R965-A968 WeakPolarHBondContact O-CB 3.44Å; R965-A968 PolarHBondContact O-N 2.85Å; T966-A968 VanDerWaalsContact C-N 3.26Å; T966-A968 PolarHBondContact O-N 3.43Å
969	Y	91.7	Very high	90.7	Very high	74 Å²	74	37.9 Å²	37.9	29%	0.29	19%	0.19	S	C	.	.	H	α-helix	trans	-72.4	-43.8	175.6	-52.1	-49.6	0	0	0	111.9	S899 Q900 C903 R965 T966 L971 D972	S899-Y969 WeakPolarHBondContact O-CD2 3.36Å; Q900-Y969 HydrophobicContact CB-CD1 3.89Å; Q900-Y969 HydrophobicContact CB-CG 4.18Å; C903-Y969 HydrophobicContact CB-CD2 4.35Å; R965-Y969 WeakPolarHBondContact O-CD2 3.28Å; R965-Y969 PolarHBondContact O-N 3.09Å; T966-Y969 PolarHBondContact O-N 3.45Å; T966-Y969 VanDerWaalsContact O-N 3.16Å; Y969-L971 PolarHBondContact O-N 3.31Å; Y969-D972 WeakPolarHBondContact O-CB 3.18Å; Y969-D972 PolarHBondContact O-N 3.3Å
970	A	92.1	Very high	90.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-67	-18.8	179.5	0	0	0	0	0	114	L907 I962 T966 E976 F979	L907-A970 HydrophobicContact CD1-CB 4.5Å; I962-A970 HydrophobicContact CD1-CB 3.99Å; T966-A970 VanDerWaalsContact O-CB 3.29Å; T966-A970 WeakPolarHBondContact O-CB 3.24Å; T966-A970 PolarHBondContact O-N 2.96Å; A970-E976 VanDerWaalsContact O-CA 3.29Å; A970-E976 WeakPolarHBondContact O-CA 3.44Å; A970-E976 PolarHBondContact O-N 3.26Å; A970-F979 HydrophobicContact CB-CB 4.07Å; A970-F979 HydrophobicContact CB-CD2 4.1Å; A970-F979 HydrophobicContact CB-CG 4.03Å
971	L	90.8	Very high	90.5	Very high	16 Å²	16	40 Å²	40	8%	0.084	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	3.1	172.8	-71	174	0	0	0	113.8	L967 Y969 Q998 M1001 V1002 L1005	L967-L971 HydrophobicContact CD1-CD1 3.97Å; L967-L971 HydrophobicContact CD1-CD2 4.48Å; L967-L971 HydrophobicContact CD1-CG 3.95Å; L967-L971 HydrophobicContact CG-CD1 3.81Å; L967-L971 HydrophobicContact CG-CG 4.22Å; L967-L971 VanDerWaalsContact O-CB 3.26Å; L967-L971 WeakPolarHBondContact O-CB 3.08Å; L967-L971 WeakPolarHBondContact O-CD1 3.42Å; L967-L971 WeakPolarHBondContact O-CG 3.32Å; L967-L971 PolarHBondContact O-N 3.36Å; L967-L971 VanDerWaalsContact O-N 3.12Å; Y969-L971 PolarHBondContact O-N 3.31Å; L971-Q998 HydrophobicContact CD1-CB 4.48Å; L971-M1001 HydrophobicContact CB-CE 4.08Å; L971-M1001 HydrophobicContact CD1-CB 3.92Å; L971-M1001 HydrophobicContact CD1-CE 4.31Å; L971-V1002 HydrophobicContact CD1-CG2 4.11Å; L971-V1002 HydrophobicContact CD2-CG2 4.26Å; L971-L1005 HydrophobicContact CD2-CD2 3.85Å
972	D	91.3	Very high	90.3	Very high	67 Å²	67	39.9 Å²	39.9	36%	0.358	21%	0.206	S	C	.	.	S	Bend	trans	-73.3	150.6	167.2	179.7	50.5	0	0	0	111.3	Q900 Y969 S974 L975 E976	Q900-D972 PolarHBondContact NE2-OD2 3.27Å; Q900-D972 VanDerWaalsContact NE2-OD2 3.09Å; Y969-D972 WeakPolarHBondContact O-CB 3.18Å; Y969-D972 PolarHBondContact O-N 3.3Å; D972-S974 PolarHBondContact O-N 3.13Å; D972-S974 WeakPolarHBondContact OD2-CB 3.1Å; D972-S974 PolarHBondContact OD2-N 3.19Å; D972-S974 VanDerWaalsContact OD2-N 3.17Å; D972-S974 PolarHBondContact OD2-OG 3.22Å; D972-L975 PolarHBondContact O-N 3.37Å; D972-E976 WeakPolarHBondContact O-CB 3.29Å; D972-E976 PolarHBondContact O-N 3.23Å
973	K	87.6	Confident	90.1	Very high	173 Å²	173	40 Å²	40	75%	0.752	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-21	-177.9	-64.8	-177.9	-179.6	178.8	0	114.2
974	S	90	Very high	90	Very high	73 Å²	73	44.5 Å²	44.5	51%	0.51	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-23.1	175	58.9	0	0	0	0	113.8	Q900 D972	Q900-S974 PolarHBondContact NE2-OG 3.39Å; D972-S974 PolarHBondContact O-N 3.13Å; D972-S974 WeakPolarHBondContact OD2-CB 3.1Å; D972-S974 PolarHBondContact OD2-N 3.19Å; D972-S974 VanDerWaalsContact OD2-N 3.17Å; D972-S974 PolarHBondContact OD2-OG 3.22Å
975	L	91.1	Very high	90	Very high	11 Å²	11	45.2 Å²	45.2	6%	0.058	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.9	-16.6	-171.6	-63.1	-179.4	0	0	0	114.1	Q900 C903 L907 D972 D977 K978 F979	Q900-L975 HydrophobicContact CG-CD1 4.11Å; C903-L975 HydrophobicContact CB-CD1 4.28Å; L907-L975 HydrophobicContact CD1-CB 3.88Å; L907-L975 HydrophobicContact CD1-CD1 4.08Å; L907-L975 HydrophobicContact CD1-CD2 4.13Å; L907-L975 HydrophobicContact CD1-CG 4.24Å; D972-L975 PolarHBondContact O-N 3.37Å; L975-D977 PolarHBondContact O-N 3.24Å; L975-D977 VanDerWaalsContact O-N 3.11Å; L975-K978 HydrophobicContact CD2-CD 4.09Å; L975-K978 WeakPolarHBondContact O-CB 3.17Å; L975-K978 PolarHBondContact O-N 3.46Å; L975-F979 PolarHBondContact O-N 3.36Å
976	E	91.8	Very high	90.1	Very high	41 Å²	41	39.3 Å²	39.3	19%	0.192	20%	0.204	C	C	.	.	H	α-helix	trans	-54	-35.8	-173.1	67.5	176	-178.2	0	0	114.1	A970 D972 L980 L1005 K1009	A970-E976 VanDerWaalsContact O-CA 3.29Å; A970-E976 WeakPolarHBondContact O-CA 3.44Å; A970-E976 PolarHBondContact O-N 3.26Å; D972-E976 WeakPolarHBondContact O-CB 3.29Å; D972-E976 PolarHBondContact O-N 3.23Å; E976-L980 VanDerWaalsContact O-CB 3.26Å; E976-L980 WeakPolarHBondContact O-CB 3.33Å; E976-L980 PolarHBondContact O-N 2.94Å; E976-L1005 HydrophobicContact CB-CD1 3.82Å; E976-L1005 HydrophobicContact CB-CD2 4.24Å; E976-L1005 HydrophobicContact CG-CD1 4.12Å; E976-L1005 WeakPolarHBondContact OE2-CD1 3.25Å; E976-K1009 VanDerWaalsContact CD-CE 3.42Å; E976-K1009 WeakPolarHBondContact OE1-CE 3.42Å; E976-K1009 IonicContact OE1-NZ 2.62Å; E976-K1009 PolarHBondContact OE1-NZ 3.49Å
977	D	90	Very high	89.6	Confident	85 Å²	85	42.4 Å²	42.4	46%	0.455	22%	0.216	S	C	.	.	H	α-helix	trans	-77.7	-32.6	178.8	-69.9	-47.9	0	0	0	113	L975 A981 K1009	L975-D977 PolarHBondContact O-N 3.24Å; L975-D977 VanDerWaalsContact O-N 3.11Å; D977-A981 WeakPolarHBondContact O-CB 3.38Å; D977-A981 PolarHBondContact O-N 3.12Å; D977-K1009 VanDerWaalsContact OD1-CD 3.28Å; D977-K1009 WeakPolarHBondContact OD1-CD 3.27Å; D977-K1009 WeakPolarHBondContact OD1-CE 3.44Å; D977-K1009 IonicContact OD1-NZ 2.86Å; D977-K1009 PolarHBondContact OD1-NZ 3.05Å; D977-K1009 IonicContact OD2-NZ 3.65Å; D977-K1009 PolarHBondContact OD2-NZ 3.42Å
978	K	90.4	Very high	89.4	Confident	59 Å²	59	42.5 Å²	42.5	26%	0.257	22%	0.216	S	C	.	.	H	α-helix	trans	-66.7	-47.1	172.6	-67.4	179.9	175.7	179.4	0	110.2	L907 E908 L911 L975 L980 A981 I982	L907-K978 HydrophobicContact CB-CB 4.27Å; L907-K978 HydrophobicContact CB-CD 4.49Å; L907-K978 HydrophobicContact CD1-CB 4.38Å; E908-K978 HydrophobicContact CG-CD 4.36Å; E908-K978 IonicContact OE1-NZ 2.72Å; E908-K978 PolarHBondContact OE1-NZ 3.26Å; L911-K978 HydrophobicContact CD1-CB 4.09Å; L911-K978 HydrophobicContact CD1-CG 4.29Å; L975-K978 HydrophobicContact CD2-CD 4.09Å; L975-K978 WeakPolarHBondContact O-CB 3.17Å; L975-K978 PolarHBondContact O-N 3.46Å; K978-L980 PolarHBondContact O-N 3.28Å; K978-A981 PolarHBondContact O-N 3.35Å; K978-I982 WeakPolarHBondContact O-CG1 3.36Å; K978-I982 PolarHBondContact O-N 3.26Å
979	F	94	Very high	89.6	Confident	1 Å²	1	40.1 Å²	40.1	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-58.2	-47.7	175.3	169.5	-110.3	0	0	0	111.6	L907 L960 I962 L967 A970 L975 A981 I982 A983 L1005	L907-F979 HydrophobicContact CD2-CB 4.13Å; L907-F979 HydrophobicContact CD2-CD2 4.49Å; L960-F979 HydrophobicContact CD2-CE2 4.08Å; I962-F979 HydrophobicContact CD1-CD2 4.03Å; I962-F979 HydrophobicContact CD1-CE2 3.7Å; I962-F979 HydrophobicContact CG2-CE2 4.37Å; L967-F979 HydrophobicContact CD1-CE1 4.22Å; L967-F979 HydrophobicContact CD1-CE2 4.42Å; L967-F979 HydrophobicContact CD1-CZ 3.89Å; A970-F979 HydrophobicContact CB-CB 4.07Å; A970-F979 HydrophobicContact CB-CD2 4.1Å; A970-F979 HydrophobicContact CB-CG 4.03Å; L975-F979 PolarHBondContact O-N 3.36Å; F979-A981 VanDerWaalsContact C-N 3.29Å; F979-A981 PolarHBondContact O-N 3.33Å; F979-I982 PolarHBondContact O-N 3.48Å; F979-A983 HydrophobicContact CZ-CB 4.46Å; F979-A983 WeakPolarHBondContact O-CB 3.4Å; F979-A983 PolarHBondContact O-N 2.93Å; F979-L1005 HydrophobicContact CD1-CD2 3.94Å; F979-L1005 HydrophobicContact CE1-CD2 4.27Å
980	L	91.9	Very high	89.7	Confident	9 Å²	9	36.6 Å²	36.6	5%	0.047	18%	0.183	C	C	.	.	H	α-helix	trans	-63	-34	178.9	-174.6	61.7	0	0	0	112.8	W866 E976 K978 R984 V1006 K1009 L1010	W866-L980 HydrophobicContact CH2-CD1 4.49Å; E976-L980 VanDerWaalsContact O-CB 3.26Å; E976-L980 WeakPolarHBondContact O-CB 3.33Å; E976-L980 PolarHBondContact O-N 2.94Å; K978-L980 PolarHBondContact O-N 3.28Å; L980-R984 WeakPolarHBondContact O-CB 3.44Å; L980-R984 PolarHBondContact O-N 3.48Å; L980-V1006 HydrophobicContact CD1-CG2 3.99Å; L980-K1009 HydrophobicContact CD2-CB 3.35Å; L980-K1009 HydrophobicContact CD2-CG 3.85Å; L980-L1010 HydrophobicContact CD1-CD1 4.24Å; L980-L1010 HydrophobicContact CD1-CD2 4.37Å; L980-L1010 HydrophobicContact CD1-CG 4.21Å; L980-L1010 HydrophobicContact CD2-CD2 3.8Å; L980-L1010 HydrophobicContact CD2-CG 4.14Å; L980-L1010 HydrophobicContact CG-CD2 4.13Å; L980-L1010 HydrophobicContact CG-CG 4.48Å
981	A	88.1	Confident	89.8	Confident	35 Å²	35	36.6 Å²	36.6	29%	0.289	18%	0.183	S	C	.	.	H	α-helix	trans	-66.5	-39.9	175.6	0	0	0	0	0	112.9	L911 D977 K978 F979 S985	L911-A981 HydrophobicContact CD2-CB 3.97Å; D977-A981 WeakPolarHBondContact O-CB 3.38Å; D977-A981 PolarHBondContact O-N 3.12Å; K978-A981 PolarHBondContact O-N 3.35Å; F979-A981 VanDerWaalsContact C-N 3.29Å; F979-A981 PolarHBondContact O-N 3.33Å; A981-S985 PolarHBondContact O-N 3.49Å; A981-S985 PolarHBondContact O-OG 2.92Å
982	I	89.5	Confident	89.7	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-67.4	-50.8	174.1	-61.2	164.5	0	0	0	110	L907 L911 I914 L960 K978 F979 R984 S985 C986	L907-I982 HydrophobicContact CB-CD1 4.12Å; L907-I982 HydrophobicContact CD2-CD1 3.4Å; L907-I982 VanDerWaalsContact CD2-CD1 3.4Å; L907-I982 HydrophobicContact CG-CD1 4.36Å; L907-I982 WeakPolarHBondContact O-CD1 3.49Å; L911-I982 HydrophobicContact CD1-CG1 4.5Å; L911-I982 HydrophobicContact CD2-CG1 3.63Å; L911-I982 HydrophobicContact CG-CD1 4.12Å; L911-I982 HydrophobicContact CG-CG1 3.65Å; I914-I982 HydrophobicContact CD1-CB 4.3Å; I914-I982 HydrophobicContact CD1-CG1 4.29Å; I914-I982 HydrophobicContact CD1-CG2 3.83Å; L960-I982 HydrophobicContact CD1-CG2 3.83Å; L960-I982 HydrophobicContact CD2-CG2 4.01Å; K978-I982 WeakPolarHBondContact O-CG1 3.36Å; K978-I982 PolarHBondContact O-N 3.26Å; F979-I982 PolarHBondContact O-N 3.48Å; I982-R984 PolarHBondContact O-N 2.86Å; I982-S985 WeakPolarHBondContact O-CA 3.44Å; I982-S985 WeakPolarHBondContact O-CB 3.35Å; I982-S985 PolarHBondContact O-N 3.16Å; I982-C986 PolarHBondContact O-N 3.26Å; I982-C986 PolarHBondContact O-SG 2.93Å
983	A	90.4	Very high	89.2	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-62.3	-32	-177.6	0	0	0	0	0	112.6	W866 L960 F979 S985 V989	W866-A983 HydrophobicContact CH2-CB 3.47Å; W866-A983 VanDerWaalsContact CH2-CB 3.47Å; W866-A983 HydrophobicContact CZ2-CB 3.82Å; W866-A983 HydrophobicContact CZ3-CB 4.2Å; L960-A983 HydrophobicContact CD2-CB 3.78Å; F979-A983 HydrophobicContact CZ-CB 4.46Å; F979-A983 WeakPolarHBondContact O-CB 3.4Å; F979-A983 PolarHBondContact O-N 2.93Å; A983-S985 VanDerWaalsContact C-N 3.31Å; A983-V989 HydrophobicContact CB-CG2 4.14Å
984	R	87.1	Confident	88.7	Confident	107 Å²	107	29.4 Å²	29.4	40%	0.404	15%	0.146	S	C	.	.	H	α-helix	trans	-70.9	-22	170.8	-171.8	-178.9	77.8	146.8	3.9	113.3	F953 L980 I982	F953-R984 HydrophobicContact CE2-CG 4.13Å; F953-R984 HydrophobicContact CZ-CG 3.7Å; F953-R984 VanDerWaalsContact CZ-O 3.26Å; F953-R984 WeakPolarHBondContact CZ-O 3.46Å; L980-R984 WeakPolarHBondContact O-CB 3.44Å; L980-R984 PolarHBondContact O-N 3.48Å; I982-R984 PolarHBondContact O-N 2.86Å
985	S	84	Confident	87.9	Confident	23 Å²	23	29.2 Å²	29.2	16%	0.161	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-4.9	179.9	-54.3	0	0	0	0	113.4	A981 I982 A983	A981-S985 PolarHBondContact O-N 3.49Å; A981-S985 PolarHBondContact O-OG 2.92Å; I982-S985 WeakPolarHBondContact O-CA 3.44Å; I982-S985 WeakPolarHBondContact O-CB 3.35Å; I982-S985 PolarHBondContact O-N 3.16Å; A983-S985 VanDerWaalsContact C-N 3.31Å
986	C	86.7	Confident	86.9	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.007	16%	0.162	C	C	.	.	S	Bend	trans	-109.5	151.7	-175.7	-58.8	0	0	0	0	111.8	L958 L960 I982	L958-C986 HydrophobicContact CB-CB 4.4Å; L958-C986 CarbonylContact O-C 3.52Å; L958-C986 WeakPolarHBondContact O-CA 3.31Å; L958-C986 WeakPolarHBondContact O-CB 3.35Å; L960-C986 HydrophobicContact CB-CB 3.99Å; I982-C986 PolarHBondContact O-N 3.26Å; I982-C986 PolarHBondContact O-SG 2.93Å
987	R	83.2	Confident	85.9	Confident	65 Å²	65	36 Å²	36	25%	0.245	18%	0.183	C	C	.	.	S	Bend	trans	-80.6	-26.3	-176.6	-170.9	147.6	160.7	-117.8	-0.1	114.3	R859 D887 E890 V955 L958	R859-R987 VanDerWaalsContact CZ-NH2 3.33Å; D887-R987 IonicContact OD2-CZ 3.3Å; D887-R987 IonicContact OD2-NH1 2.81Å; D887-R987 PolarHBondContact OD2-NH1 3.04Å; D887-R987 IonicContact OD2-NH2 2.82Å; D887-R987 PolarHBondContact OD2-NH2 2.75Å; E890-R987 VanDerWaalsContact CD-NH1 3.25Å; E890-R987 WeakPolarHBondContact OE1-CD 3.14Å; E890-R987 IonicContact OE1-CZ 3.42Å; E890-R987 IonicContact OE1-NE 2.74Å; E890-R987 IonicContact OE1-NH1 3.51Å; E890-R987 PolarHBondContact OE1-NH1 3.05Å; E890-R987 IonicContact OE2-NH1 3.69Å; V955-R987 HydrophobicContact CG1-CB 3.41Å; V955-R987 VanDerWaalsContact CG1-CB 3.41Å; V955-R987 HydrophobicContact CG1-CG 3.69Å; L958-R987 PolarHBondContact O-N 3.39Å
988	S	86.8	Confident	85.4	Confident	1 Å²	1	33 Å²	33	1%	0.007	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	148.5	175.1	50.2	0	0	0	0	109.1	L885 L886 L960	L885-S988 WeakPolarHBondContact O-CB 3.32Å; L885-S988 PolarHBondContact O-OG 3.13Å; L885-S988 VanDerWaalsContact O-OG 3.09Å; L886-S988 VanDerWaalsContact CD2-OG 3.25Å; L886-S988 WeakPolarHBondContact CD2-OG 3.46Å; L960-S988 PolarHBondContact N-O 3.24Å
989	V	93.4	Very high	85.2	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	126	-178.8	-177.3	0	0	0	0	108.9	W866 V867 L960 A983	W866-V989 CarbonylContact C-O 3.57Å; W866-V989 VanDerWaalsContact CA-O 3.32Å; W866-V989 WeakPolarHBondContact CA-O 3.36Å; W866-V989 HydrophobicContact CB-CB 4.26Å; W866-V989 HydrophobicContact CD2-CB 3.61Å; W866-V989 HydrophobicContact CD2-CG1 4.23Å; W866-V989 HydrophobicContact CD2-CG2 3.7Å; W866-V989 VanDerWaalsContact CE2-CG2 3.44Å; W866-V989 HydrophobicContact CE3-CB 3.96Å; W866-V989 HydrophobicContact CE3-CG1 4.05Å; W866-V989 HydrophobicContact CE3-CG2 4.22Å; W866-V989 HydrophobicContact CG-CB 3.7Å; W866-V989 HydrophobicContact CG-CG2 4.05Å; W866-V989 HydrophobicContact CH2-CG2 4.41Å; W866-V989 HydrophobicContact CZ2-CG2 3.85Å; W866-V989 HydrophobicContact CZ3-CG1 4.47Å; V867-V989 PolarHBondContact N-O 3.23Å; L960-V989 HydrophobicContact CB-CB 4.48Å; L960-V989 HydrophobicContact CB-CG1 4.27Å; L960-V989 HydrophobicContact CB-CG2 4.14Å; L960-V989 HydrophobicContact CD2-CG1 4.03Å; L960-V989 HydrophobicContact CD2-CG2 4.37Å; L960-V989 HydrophobicContact CG-CG1 4.32Å; L960-V989 CarbonylContact O-C 3.58Å; L960-V989 WeakPolarHBondContact O-CA 3.47Å; A983-V989 HydrophobicContact CB-CG2 4.14Å
990	L	94.2	Very high	84.6	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	104.7	-179.8	-105.9	66.4	0	0	0	110	V867 A876 V877 A880 L885 L960 V961 I962	V867-L990 HydrophobicContact CB-CD1 3.95Å; V867-L990 HydrophobicContact CB-CG 4.31Å; V867-L990 HydrophobicContact CG2-CD1 4.4Å; V867-L990 WeakPolarHBondContact O-CA 3.48Å; A876-L990 VanDerWaalsContact C-CD2 3.49Å; A876-L990 HydrophobicContact CB-CD2 3.98Å; A876-L990 WeakPolarHBondContact O-CD2 3.24Å; V877-L990 HydrophobicContact CG2-CD2 4.02Å; A880-L990 HydrophobicContact CB-CD1 3.88Å; A880-L990 HydrophobicContact CB-CD2 3.77Å; A880-L990 HydrophobicContact CB-CG 4.45Å; L885-L990 HydrophobicContact CD2-CD1 3.96Å; L960-L990 PolarHBondContact O-N 2.98Å; V961-L990 WeakPolarHBondContact CA-O 3.44Å; V961-L990 HydrophobicContact CG1-CB 4.48Å; V961-L990 HydrophobicContact CG2-CB 4.02Å; I962-L990 PolarHBondContact N-O 3.2Å
991	C	93.4	Very high	84.3	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	104.6	171	-65.6	0	0	0	0	108.8	V867 L868 T869 I962 L967 S994	V867-C991 PolarHBondContact O-N 3.39Å; L868-C991 HydrophobicContact CD2-CB 3.6Å; T869-C991 PolarHBondContact N-O 3.26Å; T869-C991 VanDerWaalsContact O-O 3.1Å; I962-C991 HydrophobicContact CG2-CB 4.32Å; L967-C991 HydrophobicContact CD2-CB 3.92Å; C991-S994 PolarHBondContact O-OG 3.45Å
992	C	88.3	Confident	84.5	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	153.5	-175.1	-54.4	0	0	0	0	110.8	T869 Q873 A876 I962 D963 G964 S994	T869-C992 CarbonylContact O-C 3.5Å; Q873-C992 HydrophobicContact CB-CB 4.41Å; A876-C992 VanDerWaalsContact CB-SG 3.59Å; I962-C992 PolarHBondContact O-N 3.07Å; D963-C992 CarbonylContact C-O 3.6Å; G964-C992 WeakPolarHBondContact CA-O 3.43Å; G964-C992 PolarHBondContact N-O 3Å; C992-S994 PolarHBondContact O-N 3.34Å
993	R	81.2	Confident	84.5	Confident	99 Å²	99	33 Å²	33	37%	0.374	16%	0.163	S	C	.	.	S	Bend	trans	51.5	28	-176.5	-55.9	-175.8	176.2	-171.4	2.7	114.6	T869 G870 D871	T869-R993 PolarHBondContact O-N 3.5Å; T869-R993 VanDerWaalsContact O-N 3.14Å; G870-R993 WeakPolarHBondContact O-CA 3.45Å; D871-R993 VanDerWaalsContact O-CG 3.23Å; D871-R993 WeakPolarHBondContact O-CG 3.27Å; D871-R993 PolarHBondContact O-N 2.94Å
994	S	77.3	Confident	84.4	Confident	6 Å²	6	35.8 Å²	35.8	4%	0.042	17%	0.174	C	C	.	.			trans	-81.6	129.1	-173.4	63.6	0	0	0	0	112.6	T869 C991 C992 K999	T869-S994 PolarHBondContact N-OG 3.05Å; T869-S994 PolarHBondContact O-N 3.02Å; T869-S994 PolarHBondContact O-OG 2.75Å; C991-S994 PolarHBondContact O-OG 3.45Å; C992-S994 PolarHBondContact O-N 3.34Å; S994-K999 WeakPolarHBondContact O-CE 3.5Å; S994-K999 WeakPolarHBondContact OG-CE 3.24Å
995	T	72.8	Confident	84.7	Confident	68 Å²	68	31.2 Å²	31.2	42%	0.417	16%	0.158	S	C	.	.			trans	-76.8	153.8	177.4	63.4	0	0	0	0	111.8	L997 Q998 K999	T995-L997 PolarHBondContact O-N 2.97Å; T995-L997 VanDerWaalsContact O-N 3.1Å; T995-Q998 WeakPolarHBondContact O-CA 3.41Å; T995-Q998 WeakPolarHBondContact O-CB 3.37Å; T995-Q998 PolarHBondContact O-N 2.82Å; T995-Q998 VanDerWaalsContact OG1-CD 3.3Å; T995-Q998 VanDerWaalsContact OG1-CG 3.32Å; T995-Q998 WeakPolarHBondContact OG1-CG 3.37Å; T995-Q998 PolarHBondContact OG1-N 3.1Å; T995-Q998 PolarHBondContact OG1-OE1 3.33Å; T995-K999 WeakPolarHBondContact O-CG 3.36Å; T995-K999 PolarHBondContact O-N 2.92Å
996	P	70.1	Confident	85	Confident	76 Å²	76	30.1 Å²	30.1	49%	0.494	15%	0.15	S	C	.	.	H	α-helix	trans	-48	-39.7	176.3	-33.8	38.7	0	0	0	114.9	K999 S1000 V1022	P996-K999 PolarHBondContact O-N 2.89Å; P996-S1000 PolarHBondContact O-N 3.49Å; P996-V1022 HydrophobicContact CB-CB 4.46Å; P996-V1022 HydrophobicContact CB-CG1 3.83Å; P996-V1022 HydrophobicContact CB-CG2 3.98Å; P996-V1022 HydrophobicContact CG-CG2 3.97Å
997	L	72.1	Confident	85.2	Confident	120 Å²	120	34.1 Å²	34.1	63%	0.628	17%	0.165	S	C	*	.	H	α-helix	trans	-63.7	-48.4	176.8	-179.5	60	0	0	0	111.3	T995 S1000 M1001	T995-L997 PolarHBondContact O-N 2.97Å; T995-L997 VanDerWaalsContact O-N 3.1Å; L997-S1000 WeakPolarHBondContact O-CB 3.44Å; L997-S1000 PolarHBondContact O-N 3.27Å; L997-S1000 PolarHBondContact O-OG 2.87Å; L997-M1001 HydrophobicContact CG-SD 4.14Å; L997-M1001 WeakPolarHBondContact O-CG 3.49Å; L997-M1001 PolarHBondContact O-N 2.92Å
998	Q	79.6	Confident	85.4	Confident	20 Å²	20	36 Å²	36	9%	0.093	18%	0.18	C	C	.	.	H	α-helix	trans	-63	-41.3	177.7	-70	167.2	-52.5	0	0	112.1	G964 L967 L971 T995 S1000 M1001 V1002	G964-Q998 PolarHBondContact O-NE2 3.32Å; L967-Q998 HydrophobicContact CD2-CB 4.3Å; L971-Q998 HydrophobicContact CD1-CB 4.48Å; T995-Q998 WeakPolarHBondContact O-CA 3.41Å; T995-Q998 WeakPolarHBondContact O-CB 3.37Å; T995-Q998 PolarHBondContact O-N 2.82Å; T995-Q998 VanDerWaalsContact OG1-CD 3.3Å; T995-Q998 VanDerWaalsContact OG1-CG 3.32Å; T995-Q998 WeakPolarHBondContact OG1-CG 3.37Å; T995-Q998 PolarHBondContact OG1-N 3.1Å; T995-Q998 PolarHBondContact OG1-OE1 3.33Å; Q998-S1000 VanDerWaalsContact C-N 3.26Å; Q998-S1000 PolarHBondContact O-N 2.93Å; Q998-M1001 WeakPolarHBondContact O-CA 3.36Å; Q998-M1001 WeakPolarHBondContact O-CB 3.45Å; Q998-M1001 PolarHBondContact O-N 3.43Å; Q998-V1002 WeakPolarHBondContact O-CG2 3.46Å; Q998-V1002 PolarHBondContact O-N 3.27Å
999	K	84.4	Confident	85.5	Confident	21 Å²	21	39.6 Å²	39.6	9%	0.091	20%	0.196	C	C	.	.	H	α-helix	trans	-53.7	-47.4	173.4	-57.4	-164.3	-168.7	-169.1	0	110.2	D410 L868 S994 T995 P996 M1001 V1002 V1003 V1022	D410-K999 IonicContact OD1-NZ 3.35Å; D410-K999 PolarHBondContact OD1-NZ 2.89Å; D410-K999 IonicContact OD2-NZ 2.68Å; D410-K999 PolarHBondContact OD2-NZ 2.89Å; L868-K999 HydrophobicContact CB-CB 4.39Å; L868-K999 HydrophobicContact CB-CD 3.91Å; L868-K999 HydrophobicContact CB-CG 3.95Å; L868-K999 HydrophobicContact CD1-CB 4.06Å; L868-K999 WeakPolarHBondContact O-CD 3.19Å; L868-K999 WeakPolarHBondContact O-CE 3.32Å; L868-K999 PolarHBondContact O-NZ 3.35Å; S994-K999 WeakPolarHBondContact O-CE 3.5Å; S994-K999 WeakPolarHBondContact OG-CE 3.24Å; T995-K999 WeakPolarHBondContact O-CG 3.36Å; T995-K999 PolarHBondContact O-N 2.92Å; P996-K999 PolarHBondContact O-N 2.89Å; K999-M1001 VanDerWaalsContact C-N 3.32Å; K999-M1001 PolarHBondContact O-N 3.35Å; K999-V1002 PolarHBondContact O-N 3.48Å; K999-V1003 WeakPolarHBondContact O-CG2 3.2Å; K999-V1003 PolarHBondContact O-N 3.01Å; K999-V1022 HydrophobicContact CD-CG1 4.4Å
1000	S	81.8	Confident	85.2	Confident	7 Å²	7	42 Å²	42	5%	0.049	21%	0.208	C	C	.	.	H	α-helix	trans	-65	-31.2	176.8	92.4	0	0	0	0	113.8	P996 L997 Q998 K1004	P996-S1000 PolarHBondContact O-N 3.49Å; L997-S1000 WeakPolarHBondContact O-CB 3.44Å; L997-S1000 PolarHBondContact O-N 3.27Å; L997-S1000 PolarHBondContact O-OG 2.87Å; Q998-S1000 VanDerWaalsContact C-N 3.26Å; Q998-S1000 PolarHBondContact O-N 2.93Å; S1000-K1004 WeakPolarHBondContact O-CB 3.39Å; S1000-K1004 WeakPolarHBondContact O-CD 3.43Å; S1000-K1004 WeakPolarHBondContact O-CE 3.32Å; S1000-K1004 WeakPolarHBondContact O-CG 3.45Å; S1000-K1004 PolarHBondContact O-N 3.04Å; S1000-K1004 VanDerWaalsContact O-N 3.14Å; S1000-K1004 PolarHBondContact OG-NZ 3.45Å
1001	M	86.4	Confident	84.9	Confident	74 Å²	74	50.7 Å²	50.7	37%	0.365	25%	0.246	S	C	.	.	H	α-helix	trans	-72.3	-41.2	178.1	-72.5	171.4	65.2	0	0	111.8	L971 L997 Q998 K999 K1004 L1005	L971-M1001 HydrophobicContact CB-CE 4.08Å; L971-M1001 HydrophobicContact CD1-CB 3.92Å; L971-M1001 HydrophobicContact CD1-CE 4.31Å; L997-M1001 HydrophobicContact CG-SD 4.14Å; L997-M1001 WeakPolarHBondContact O-CG 3.49Å; L997-M1001 PolarHBondContact O-N 2.92Å; Q998-M1001 WeakPolarHBondContact O-CA 3.36Å; Q998-M1001 WeakPolarHBondContact O-CB 3.45Å; Q998-M1001 PolarHBondContact O-N 3.43Å; K999-M1001 VanDerWaalsContact C-N 3.32Å; K999-M1001 PolarHBondContact O-N 3.35Å; M1001-K1004 PolarHBondContact O-N 3.49Å; M1001-L1005 WeakPolarHBondContact O-CB 3.25Å; M1001-L1005 PolarHBondContact O-N 3.48Å
1002	V	91.4	Very high	84.7	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-58.9	-48.9	174.7	176.3	0	0	0	0	110.9	F408 W866 L868 L967 L971 Q998 K999 K1004 L1005 V1006	F408-V1002 HydrophobicContact CD1-CG1 4.48Å; F408-V1002 HydrophobicContact CE1-CG1 3.95Å; W866-V1002 HydrophobicContact CE3-CG1 3.93Å; W866-V1002 HydrophobicContact CZ3-CG1 3.86Å; L868-V1002 HydrophobicContact CD1-CB 4.44Å; L868-V1002 HydrophobicContact CD2-CG1 4.15Å; L967-V1002 HydrophobicContact CD1-CG2 3.96Å; L967-V1002 HydrophobicContact CD2-CG2 4.12Å; L967-V1002 HydrophobicContact CG-CG2 4.47Å; L971-V1002 HydrophobicContact CD1-CG2 4.11Å; L971-V1002 HydrophobicContact CD2-CG2 4.26Å; Q998-V1002 WeakPolarHBondContact O-CG2 3.46Å; Q998-V1002 PolarHBondContact O-N 3.27Å; K999-V1002 PolarHBondContact O-N 3.48Å; V1002-K1004 VanDerWaalsContact C-N 3.31Å; V1002-K1004 PolarHBondContact O-N 2.92Å; V1002-L1005 PolarHBondContact O-N 3.43Å; V1002-V1006 PolarHBondContact O-N 3.46Å; V1002-V1006 VanDerWaalsContact O-N 3.08Å
1003	V	90.6	Very high	84.7	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.024	26%	0.26	C	S	.	.	H	α-helix	trans	-60.8	-41.3	177.7	-177.1	0	0	0	0	111.1	F408 L868 K999 R1007 V1026	F408-V1003 HydrophobicContact CB-CG2 4.01Å; F408-V1003 HydrophobicContact CD1-CG2 3.99Å; F408-V1003 HydrophobicContact CD2-CB 4.48Å; F408-V1003 HydrophobicContact CD2-CG1 4.18Å; F408-V1003 HydrophobicContact CD2-CG2 3.84Å; F408-V1003 HydrophobicContact CE1-CG2 4.42Å; F408-V1003 HydrophobicContact CE2-CG1 4.25Å; F408-V1003 HydrophobicContact CE2-CG2 4.31Å; F408-V1003 HydrophobicContact CG-CG2 3.66Å; L868-V1003 HydrophobicContact CD1-CG2 4.26Å; K999-V1003 WeakPolarHBondContact O-CG2 3.2Å; K999-V1003 PolarHBondContact O-N 3.01Å; V1003-R1007 WeakPolarHBondContact O-CB 3.46Å; V1003-R1007 PolarHBondContact O-N 3.49Å; V1003-V1026 HydrophobicContact CB-CG1 4.22Å; V1003-V1026 HydrophobicContact CG1-CG1 3.68Å
1004	K	88.6	Confident	85.2	Confident	59 Å²	59	49.9 Å²	49.9	26%	0.257	25%	0.25	S	C	.	.	H	α-helix	trans	-65.9	-40.1	176.8	-73.5	160.4	-163.9	158.4	0	112.3	S1000 M1001 V1002 N1008 G1025	S1000-K1004 WeakPolarHBondContact O-CB 3.39Å; S1000-K1004 WeakPolarHBondContact O-CD 3.43Å; S1000-K1004 WeakPolarHBondContact O-CE 3.32Å; S1000-K1004 WeakPolarHBondContact O-CG 3.45Å; S1000-K1004 PolarHBondContact O-N 3.04Å; S1000-K1004 VanDerWaalsContact O-N 3.14Å; S1000-K1004 PolarHBondContact OG-NZ 3.45Å; M1001-K1004 PolarHBondContact O-N 3.49Å; V1002-K1004 VanDerWaalsContact C-N 3.31Å; V1002-K1004 PolarHBondContact O-N 2.92Å; K1004-N1008 WeakPolarHBondContact O-CB 3.42Å; K1004-N1008 PolarHBondContact O-N 3.18Å; K1004-N1008 PolarHBondContact O-ND2 2.9Å; K1004-N1008 PolarHBondContact O-OD1 2.92Å; K1004-G1025 VanDerWaalsContact CE-O 3.28Å; K1004-G1025 WeakPolarHBondContact CE-O 3.23Å; K1004-G1025 PolarHBondContact NZ-O 3.11Å
1005	L	92.1	Very high	86	Confident	11 Å²	11	52 Å²	52	6%	0.058	26%	0.26	C	S	.	.	H	α-helix	trans	-59.9	-56.2	177.5	179.5	66.5	0	0	0	110.4	L971 E976 F979 M1001 V1002 R1007 N1008 K1009	L971-L1005 HydrophobicContact CD2-CD2 3.85Å; E976-L1005 HydrophobicContact CB-CD1 3.82Å; E976-L1005 HydrophobicContact CB-CD2 4.24Å; E976-L1005 HydrophobicContact CG-CD1 4.12Å; E976-L1005 WeakPolarHBondContact OE2-CD1 3.25Å; F979-L1005 HydrophobicContact CD1-CD2 3.94Å; F979-L1005 HydrophobicContact CE1-CD2 4.27Å; M1001-L1005 WeakPolarHBondContact O-CB 3.25Å; M1001-L1005 PolarHBondContact O-N 3.48Å; V1002-L1005 PolarHBondContact O-N 3.43Å; L1005-R1007 PolarHBondContact O-N 2.9Å; L1005-N1008 PolarHBondContact O-N 3.4Å; L1005-K1009 HydrophobicContact CD1-CD 4.4Å; L1005-K1009 HydrophobicContact CD1-CG 3.62Å; L1005-K1009 HydrophobicContact CG-CG 4.4Å; L1005-K1009 WeakPolarHBondContact O-CB 3.48Å; L1005-K1009 WeakPolarHBondContact O-CG 3.46Å; L1005-K1009 PolarHBondContact O-N 3.24Å
1006	V	91.8	Very high	86.8	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.1	-48.6	-179.2	176.7	0	0	0	0	111	Y406 F408 W866 L980 V1002 N1008 L1010 V1012 T1014	Y406-V1006 HydrophobicContact CD1-CG1 4.15Å; Y406-V1006 HydrophobicContact CD2-CG1 4.27Å; Y406-V1006 HydrophobicContact CE1-CG1 4.42Å; Y406-V1006 HydrophobicContact CG-CG1 4.08Å; F408-V1006 HydrophobicContact CE1-CG2 4.34Å; F408-V1006 HydrophobicContact CZ-CB 3.85Å; F408-V1006 HydrophobicContact CZ-CG1 3.96Å; F408-V1006 HydrophobicContact CZ-CG2 3.9Å; W866-V1006 HydrophobicContact CE3-CG2 4.44Å; W866-V1006 HydrophobicContact CH2-CG2 3.57Å; W866-V1006 HydrophobicContact CZ2-CG2 4.44Å; W866-V1006 HydrophobicContact CZ3-CG2 3.59Å; L980-V1006 HydrophobicContact CD1-CG2 3.99Å; V1002-V1006 PolarHBondContact O-N 3.46Å; V1002-V1006 VanDerWaalsContact O-N 3.08Å; V1006-N1008 PolarHBondContact O-N 3.05Å; V1006-L1010 HydrophobicContact CG1-CD1 4.05Å; V1006-L1010 WeakPolarHBondContact O-CB 3.34Å; V1006-L1010 PolarHBondContact O-N 3.07Å; V1006-V1012 HydrophobicContact CG1-CG2 3.84Å; V1006-T1014 HydrophobicContact CG1-CG2 4.38Å
1007	R	89.3	Confident	87.7	Confident	85 Å²	85	51 Å²	51	32%	0.321	25%	0.252	S	S	.	.	H	α-helix	trans	-59.7	-42	178.5	-174.1	176.7	69.5	-158.3	1.5	112.8	V1003 L1005 K1011 T1014 V1026	V1003-R1007 WeakPolarHBondContact O-CB 3.46Å; V1003-R1007 PolarHBondContact O-N 3.49Å; L1005-R1007 PolarHBondContact O-N 2.9Å; R1007-K1011 VanDerWaalsContact O-CA 3.27Å; R1007-K1011 WeakPolarHBondContact O-CA 3.49Å; R1007-K1011 PolarHBondContact O-N 3.01Å; R1007-T1014 HydrophobicContact CB-CG2 3.91Å; R1007-T1014 HydrophobicContact CG-CG2 4.44Å; R1007-V1026 VanDerWaalsContact CZ-OXT 3.28Å; R1007-V1026 PolarHBondContact NH1-OXT 2.96Å; R1007-V1026 PolarHBondContact NH2-OXT 3.16Å
1008	N	88.2	Confident	88	Confident	104 Å²	104	46.3 Å²	46.3	56%	0.556	23%	0.233	S	C	*	.	H	α-helix	trans	-83.5	-42	-173.3	-65.1	-8.2	0	0	0	112.7	K1004 L1005 V1006	K1004-N1008 WeakPolarHBondContact O-CB 3.42Å; K1004-N1008 PolarHBondContact O-N 3.18Å; K1004-N1008 PolarHBondContact O-ND2 2.9Å; K1004-N1008 PolarHBondContact O-OD1 2.92Å; L1005-N1008 PolarHBondContact O-N 3.4Å; V1006-N1008 PolarHBondContact O-N 3.05Å
1009	K	89.2	Confident	87.1	Confident	77 Å²	77	49.8 Å²	49.8	34%	0.335	25%	0.25	S	C	.	.	H	α-helix	trans	-77.2	-49	-178.2	-65.7	-81.7	-168.5	160.7	0	111.9	E976 D977 L980 L1005	E976-K1009 VanDerWaalsContact CD-CE 3.42Å; E976-K1009 WeakPolarHBondContact OE1-CE 3.42Å; E976-K1009 IonicContact OE1-NZ 2.62Å; E976-K1009 PolarHBondContact OE1-NZ 3.49Å; D977-K1009 VanDerWaalsContact OD1-CD 3.28Å; D977-K1009 WeakPolarHBondContact OD1-CD 3.27Å; D977-K1009 WeakPolarHBondContact OD1-CE 3.44Å; D977-K1009 IonicContact OD1-NZ 2.86Å; D977-K1009 PolarHBondContact OD1-NZ 3.05Å; D977-K1009 IonicContact OD2-NZ 3.65Å; D977-K1009 PolarHBondContact OD2-NZ 3.42Å; L980-K1009 HydrophobicContact CD2-CB 3.35Å; L980-K1009 HydrophobicContact CD2-CG 3.85Å; L1005-K1009 HydrophobicContact CD1-CD 4.4Å; L1005-K1009 HydrophobicContact CD1-CG 3.62Å; L1005-K1009 HydrophobicContact CG-CG 4.4Å; L1005-K1009 WeakPolarHBondContact O-CB 3.48Å; L1005-K1009 WeakPolarHBondContact O-CG 3.46Å; L1005-K1009 PolarHBondContact O-N 3.24Å
1010	L	86.7	Confident	85.3	Confident	49 Å²	49	51 Å²	51	26%	0.257	26%	0.255	S	S	.	.	H	α-helix	trans	-83	-16.1	-179.1	-52.7	-171.7	0	0	0	113.2	Y406 L980 V1006 V1012	Y406-L1010 HydrophobicContact CE2-CD1 4.23Å; L980-L1010 HydrophobicContact CD1-CD1 4.24Å; L980-L1010 HydrophobicContact CD1-CD2 4.37Å; L980-L1010 HydrophobicContact CD1-CG 4.21Å; L980-L1010 HydrophobicContact CD2-CD2 3.8Å; L980-L1010 HydrophobicContact CD2-CG 4.14Å; L980-L1010 HydrophobicContact CG-CD2 4.13Å; L980-L1010 HydrophobicContact CG-CG 4.48Å; V1006-L1010 HydrophobicContact CG1-CD1 4.05Å; V1006-L1010 WeakPolarHBondContact O-CB 3.34Å; V1006-L1010 PolarHBondContact O-N 3.07Å; L1010-V1012 HydrophobicContact CB-CB 4.45Å; L1010-V1012 HydrophobicContact CB-CG1 3.73Å; L1010-V1012 HydrophobicContact CB-CG2 4.03Å; L1010-V1012 PolarHBondContact O-N 2.88Å
1011	K	87.8	Confident	83.2	Confident	185 Å²	185	57.2 Å²	57.2	80%	0.804	28%	0.278	S	S	*	.			trans	58.6	25.7	-176.7	-55.6	177.1	-175.8	172.2	0	114	R1007	R1007-K1011 VanDerWaalsContact O-CA 3.27Å; R1007-K1011 WeakPolarHBondContact O-CA 3.49Å; R1007-K1011 PolarHBondContact O-N 3.01Å
1012	V	88.6	Confident	80.6	Confident	21 Å²	21	55.5 Å²	55.5	13%	0.127	27%	0.271	C	S	.	.			trans	-86.6	161.5	-179.7	-61.2	0	0	0	0	112.3	Y406 V1006 L1010 T1014	Y406-V1012 HydrophobicContact CD2-CB 4.23Å; Y406-V1012 HydrophobicContact CD2-CG2 3.64Å; Y406-V1012 HydrophobicContact CE2-CB 4.43Å; Y406-V1012 HydrophobicContact CE2-CG1 4.29Å; Y406-V1012 HydrophobicContact CE2-CG2 3.99Å; V1006-V1012 HydrophobicContact CG1-CG2 3.84Å; L1010-V1012 HydrophobicContact CB-CB 4.45Å; L1010-V1012 HydrophobicContact CB-CG1 3.73Å; L1010-V1012 HydrophobicContact CB-CG2 4.03Å; L1010-V1012 PolarHBondContact O-N 2.88Å; V1012-T1014 HydrophobicContact CG2-CG2 4.07Å
1013	M	89.4	Confident	77.7	Confident	35 Å²	35	58.2 Å²	58.2	17%	0.172	29%	0.286	C	S	.	.			trans	-84.2	128.2	172.5	-60.5	-59.7	-73.1	0	0	110.2	K284 D400 Q403 M404 Q405 Y406	K284-M1013 HydrophobicContact CB-CE 4.26Å; K284-M1013 HydrophobicContact CB-SD 4.13Å; K284-M1013 HydrophobicContact CD-CG 4.13Å; K284-M1013 HydrophobicContact CD-SD 3.88Å; D400-M1013 HydrophobicContact CB-CE 3.69Å; D400-M1013 WeakPolarHBondContact OD1-CE 3.47Å; Q403-M1013 HydrophobicContact CB-CG 4.26Å; Q403-M1013 WeakPolarHBondContact O-CB 3.28Å; M404-M1013 HydrophobicContact CE-CB 4.06Å; M404-M1013 HydrophobicContact CE-CE 4.01Å; M404-M1013 HydrophobicContact SD-CB 3.93Å; Q405-M1013 PolarHBondContact N-O 3.28Å; Q405-M1013 VanDerWaalsContact N-O 3.08Å; Y406-M1013 PolarHBondContact N-O 3.11Å
1014	T	92.3	Very high	74.9	Confident	25 Å²	25	62.5 Å²	62.5	15%	0.153	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	122.4	-171.5	59.3	0	0	0	0	110.9	Y406 F408 V1006 R1007 V1012	Y406-T1014 WeakPolarHBondContact O-CA 3.35Å; F408-T1014 HydrophobicContact CE2-CG2 3.79Å; V1006-T1014 HydrophobicContact CG1-CG2 4.38Å; R1007-T1014 HydrophobicContact CB-CG2 3.91Å; R1007-T1014 HydrophobicContact CG-CG2 4.44Å; V1012-T1014 HydrophobicContact CG2-CG2 4.07Å
1015	L	92.3	Very high	72.1	Confident	51 Å²	51	61.3 Å²	61.3	27%	0.267	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	139.8	169.4	-174.1	144.6	0	0	0	109.1	L401 M404 Y406 I407 F408 I1017	L401-L1015 HydrophobicContact CD2-CD1 4.21Å; M404-L1015 HydrophobicContact CG-CB 4.09Å; M404-L1015 HydrophobicContact CG-CD1 4.38Å; M404-L1015 HydrophobicContact SD-CB 3.78Å; M404-L1015 PolarHBondContact SD-N 2.82Å; M404-L1015 VanDerWaalsContact SD-N 3.45Å; Y406-L1015 PolarHBondContact O-N 3.2Å; I407-L1015 WeakPolarHBondContact CA-O 3.38Å; I407-L1015 HydrophobicContact CG1-CB 4.28Å; I407-L1015 HydrophobicContact CG1-CD2 4.33Å; I407-L1015 HydrophobicContact CG2-CD2 4.08Å; F408-L1015 WeakPolarHBondContact CD2-O 3.49Å; F408-L1015 PolarHBondContact N-O 2.87Å; L1015-I1017 HydrophobicContact CD2-CB 4.07Å; L1015-I1017 HydrophobicContact CD2-CG2 4.34Å
1016	A	89.8	Confident	69	Low	38 Å²	38	62.8 Å²	62.8	31%	0.314	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	130.1	172.4	0	0	0	0	0	108.9	F408	F408-A1016 HydrophobicContact CB-CB 4.5Å; F408-A1016 WeakPolarHBondContact O-CA 3.46Å
1017	I	89.3	Confident	67.9	Low	84 Å²	84	66 Å²	66	43%	0.431	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	140.5	-178.4	-169.1	174.1	0	0	0	109.4	I407 F408 D410 T414 L1015	I407-I1017 HydrophobicContact CG2-CG2 4.25Å; F408-I1017 PolarHBondContact O-N 3.5Å; D410-I1017 PolarHBondContact N-O 2.91Å; T414-I1017 HydrophobicContact CG2-CB 4.42Å; T414-I1017 HydrophobicContact CG2-CD1 4.18Å; T414-I1017 HydrophobicContact CG2-CG1 3.83Å; T414-I1017 HydrophobicContact CG2-CG2 4.06Å; L1015-I1017 HydrophobicContact CD2-CB 4.07Å; L1015-I1017 HydrophobicContact CD2-CG2 4.34Å
1018	G	78	Confident	66.8	Low	22 Å²	22	64.9 Å²	64.9	23%	0.227	34%	0.34	C	S	.	.			trans	170.6	139.9	-173	0	0	0	0	0	111.1	T414	T414-G1018 VanDerWaalsContact OG1-CA 3.29Å; T414-G1018 WeakPolarHBondContact OG1-CA 3.47Å
1019	E	60.8	Low	65.6	Low	94 Å²	94	62.8 Å²	62.8	44%	0.439	33%	0.328	S	S	.	.	S	Bend	trans	-63.3	-44.4	179.3	-173.5	177.5	-147.5	0	0	112.6	G413 T414	G413-E1019 WeakPolarHBondContact CA-OE2 3.44Å; T414-E1019 PolarHBondContact OG1-N 2.97Å
1020	H	47.6	Very low	64.2	Low	45 Å²	45	61.9 Å²	61.9	21%	0.208	33%	0.328	C	S	.	.	S	Bend	trans	-75	151.2	-173.9	-58.2	-60.7	0	0	0	114.1	D184 V1022	D184-H1020 PolarHBondContact O-ND1 2.86Å; H1020-V1022 HydrophobicContact CB-CB 4.47Å; H1020-V1022 HydrophobicContact CB-CG2 3.91Å; H1020-V1022 PolarHBondContact O-N 2.73Å
1021	R	37	Very low	62.8	Low	138 Å²	138	62.8 Å²	62.8	52%	0.521	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-61.1	3.6	172.6	-84.6	-146.6	-173.9	100.6	4.4	116.3	T182 L183 N1023 D1024	T182-R1021 VanDerWaalsContact O-CZ 3.26Å; T182-R1021 PolarHBondContact O-NH1 3.08Å; T182-R1021 PolarHBondContact O-NH2 3.18Å; L183-R1021 VanDerWaalsContact CA-NH1 3.25Å; L183-R1021 PolarHBondContact O-NH1 3.39Å; R1021-N1023 PolarHBondContact O-N 3.31Å; R1021-D1024 WeakPolarHBondContact CD-OD2 3.38Å; R1021-D1024 PolarHBondContact O-N 3.4Å; R1021-D1024 VanDerWaalsContact O-N 3.09Å
1022	V	31.6	Very low	61.1	Low	38 Å²	38	54.6 Å²	54.6	23%	0.23	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-47.2	-32.4	171.7	171	0	0	0	0	112.5	P996 K999 H1020 D1024	P996-V1022 HydrophobicContact CB-CB 4.46Å; P996-V1022 HydrophobicContact CB-CG1 3.83Å; P996-V1022 HydrophobicContact CB-CG2 3.98Å; P996-V1022 HydrophobicContact CG-CG2 3.97Å; K999-V1022 HydrophobicContact CD-CG1 4.4Å; H1020-V1022 HydrophobicContact CB-CB 4.47Å; H1020-V1022 HydrophobicContact CB-CG2 3.91Å; H1020-V1022 PolarHBondContact O-N 2.73Å; V1022-D1024 PolarHBondContact O-N 3.2Å
1023	N	31.1	Very low	59.1	Low	57 Å²	57	57 Å²	57	31%	0.305	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-73.3	-14	-177.6	-74.7	-42.2	0	0	0	115.9	R1021 G1025 V1026	R1021-N1023 PolarHBondContact O-N 3.31Å; N1023-G1025 PolarHBondContact O-N 3.12Å; N1023-G1025 VanDerWaalsContact O-N 3.15Å; N1023-V1026 WeakPolarHBondContact O-CB 3.33Å; N1023-V1026 WeakPolarHBondContact O-CG2 3.38Å; N1023-V1026 PolarHBondContact O-N 2.93Å
1024	D	31.3	Very low	56.8	Low	94 Å²	94	58.7 Å²	58.7	50%	0.503	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-70.5	-8.3	178	-78.2	-36.9	0	0	0	113.4	R1021 V1022	R1021-D1024 WeakPolarHBondContact CD-OD2 3.38Å; R1021-D1024 PolarHBondContact O-N 3.4Å; R1021-D1024 VanDerWaalsContact O-N 3.09Å; V1022-D1024 PolarHBondContact O-N 3.2Å
1025	G	29.7	Very low	53.8	Low	35 Å²	35	61.5 Å²	61.5	36%	0.361	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-86.6	-4.9	174.4	0	0	0	0	0	116.2	K1004 N1023	K1004-G1025 VanDerWaalsContact CE-O 3.28Å; K1004-G1025 WeakPolarHBondContact CE-O 3.23Å; K1004-G1025 PolarHBondContact NZ-O 3.11Å; N1023-G1025 PolarHBondContact O-N 3.12Å; N1023-G1025 VanDerWaalsContact O-N 3.15Å
1026	V	27.6	Very low	50.3	Low	42 Å²	42	62.5 Å²	62.5	26%	0.255	35%	0.345	S	S	.	.			trans	-86.3	0	-165.8	179.2	0	0	0	0	114.3	R279 V1003 R1007 N1023	R279-V1026 PolarHBondContact NH1-O 3.47Å; R279-V1026 VanDerWaalsContact NH1-O 3.15Å; V1003-V1026 HydrophobicContact CB-CG1 4.22Å; V1003-V1026 HydrophobicContact CG1-CG1 3.68Å; R1007-V1026 VanDerWaalsContact CZ-OXT 3.28Å; R1007-V1026 PolarHBondContact NH1-OXT 2.96Å; R1007-V1026 PolarHBondContact NH2-OXT 3.16Å; N1023-V1026 WeakPolarHBondContact O-CB 3.33Å; N1023-V1026 WeakPolarHBondContact O-CG2 3.38Å; N1023-V1026 PolarHBondContact O-N 2.93Å

Retrieved 1,026 of 1,026 residues in 288.7 ms (Link to these results)

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