G4VHA4_SCHMA Loading...

Tyrosine-protein kinase

AlphaFold DB , UniProt , Accession G4VHA4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 921 aa.

						>G4VHA4_SCHMA|G4VHA4
MPQHRKQVNDNCNVLNQPLPRVIHRPIPITASSVVLSPFELVTPRMPVRTVADPPEMVPSSHWFHGNISREDTERLLKHHLQNGTFLIRFSISTHKYVLSVIYNQQLYHYPIEELSDGFYQVNGTNAKYLGIDLLVSEFRRANNCIVCSLGKPVPGLRPPPHITVYGVTNDLHHAVRKANLKGVRDLFTRVSSMEVTSLSDYVNEKSADSGATPLIEAAKTGSNDIVRLLLEHNASVNLRDCGGFTALHRACQKSFAHVAETLLRVGRANPQIKCPFSGNTALHEAAMLGHADCVNCLLRYHAAPWARNAEAEMPFELALRYGFADLAAALAGYKPAPAITVQNDWYHPSLSKSETDKIFSNCSTIKDGAFLIRRSSQSERKFVLVLYYQHQTLKYQIEVVDFSFHMDTKEAYFIDKGPLHLSLEHLVEHYSRFADGIPVRLHYAISPSGRVTNIEQLVPHNLDNHGQELRKIESSAVGDAWALRTISSSLHGGRMGAPLSMSIAKGASRHGQKSNQGKHSSSSSGVSGMSSGGGLLPVAAGLQLTSSGTSCIGSTSGSGELRLIPSDAVILLYRLGEGEFGEVYRGRLHLDNGIVQEVAVKVLVQPSQRLDFLKEATIMMQLSHPHIVTIYGVCENKRLMMILELAELGSLLDYLLDYPEKCQLPELYNWSMQIASGMSFLESARFVHRDLACRNVLLSNHSCAKISDFGLSRAVGVESDYYKATQRGKWPVKWYAPESIYYKTFSHASDVWSFGICLWEMFSLGEHPYADQDSFEVLRQIEEGVRLPKPHLANDDVFAIMHDCWAYNPDARPTFAQLLAVFQHLATNVYENVEPPEVVVPGNANPSCKAVKNGIGCHNNNTKNNNISSSTTAPHPSIVTTTMATSTNQNDNQHISGNDRRQTNCTNIRIPNLVQTNGSS
					

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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	34.2	Very low	32.2	Very low	240 Å²	240	163 Å²	163	100%	1.182	80%	0.804	S	S	*	*				0	101.2	0	-70.1	-54	-172.5	0	0	109.3
2	P	34.4	Very low	32	Very low	120 Å²	120	159.7 Å²	159.7	78%	0.779	81%	0.806	S	S	*	*			trans	-123.4	132.3	-174.5	36.7	-21.9	0	0	0	114.3
3	Q	33.5	Very low	31.9	Very low	186 Å²	186	158.6 Å²	158.6	87%	0.869	81%	0.805	S	S	*	*			trans	-157	147.4	170.2	-71.1	-158.4	-3.5	0	0	109.5
4	H	35.7	Very low	31.7	Very low	169 Å²	169	155.7 Å²	155.7	78%	0.782	80%	0.798	S	S	*	*			cis	-153.6	159.2	-20.5	-143.6	-90.3	0	0	0	111
5	R	28.8	Very low	31.5	Very low	206 Å²	206	155.2 Å²	155.2	78%	0.777	80%	0.797	S	S	*	*			trans	-74.8	149.8	172.7	-134.7	-176.1	-171	176.3	0.5	111.1
6	K	35.3	Very low	31.6	Very low	203 Å²	203	155.1 Å²	155.1	88%	0.883	80%	0.798	S	S	*	*			trans	-152.2	124.8	147.7	-113.6	177.4	-176.4	-177.7	0	111.9
7	Q	26.2	Very low	31.5	Very low	146 Å²	146	157.1 Å²	157.1	68%	0.682	80%	0.803	S	S	*	*			trans	-99.9	155.4	160.5	-70.8	167.9	-94.4	0	0	108.1
8	V	34.1	Very low	31.7	Very low	133 Å²	133	154.8 Å²	154.8	81%	0.806	80%	0.8	S	S	*	*			trans	-142.1	129.3	161.4	178.3	0	0	0	0	107.3
9	N	28.2	Very low	31.4	Very low	121 Å²	121	155.6 Å²	155.6	65%	0.647	81%	0.805	S	S	*	*			trans	-94.5	155.4	165.4	-64.1	-8	0	0	0	108.6
10	D	33.9	Very low	31.3	Very low	133 Å²	133	153.3 Å²	153.3	71%	0.711	80%	0.8	S	S	*	*				166.9	131.6	102.4	-88.2	-42.9	0	0	0	113.8
11	N	30	Very low	31	Very low	136 Å²	136	157.2 Å²	157.2	73%	0.727	81%	0.805	S	S	*	*			trans	24	124.1	144.4	-49.3	-47.6	0	0	0	121.2
12	C	30	Very low	30.6	Very low	123 Å²	123	151.2 Å²	151.2	83%	0.831	78%	0.781	S	S	*	*				-171.3	97.4	112.9	-97.1	0	0	0	0	115.8
13	N	30.1	Very low	30.2	Very low	146 Å²	146	152.5 Å²	152.5	78%	0.781	78%	0.78	S	S	*	*				56.4	115	119.6	-97.1	2.1	0	0	0	124.7
14	V	29.6	Very low	29.9	Very low	118 Å²	118	149.2 Å²	149.2	72%	0.715	76%	0.764	S	S	*	*			trans	61.1	115.6	140.5	-123.1	0	0	0	0	122.2
15	L	28.6	Very low	29.4	Very low	148 Å²	148	150.7 Å²	150.7	78%	0.775	76%	0.763	S	S	*	*				178.7	153.7	97.9	-96.5	170.5	0	0	0	115.4
16	N	33.6	Very low	29.3	Very low	154 Å²	154	143.8 Å²	143.8	82%	0.824	75%	0.745	S	S	*	*			trans	77.2	147.6	164.2	-64.7	-14.7	0	0	0	121.7
17	Q	29.7	Very low	29	Very low	189 Å²	189	140.3 Å²	140.3	88%	0.883	73%	0.734	S	S	*	*			trans	-102.5	174.4	-169.7	-81.3	-174.2	10.5	0	0	111.4
18	P	34.1	Very low	29	Very low	116 Å²	116	136.1 Å²	136.1	75%	0.753	72%	0.72	S	S	*	*			cis	-139.6	-175.4	23.7	42.6	-22.4	0	0	0	118.4
19	L	27.3	Very low	28.6	Very low	169 Å²	169	136 Å²	136	89%	0.885	71%	0.714	S	S	*	*			trans	-59.7	144	-178.8	-70	154	0	0	0	115.6
20	P	28.1	Very low	28.5	Very low	110 Å²	110	135.4 Å²	135.4	71%	0.714	72%	0.715	S	S	*	*			trans	-109.7	148.4	139.2	34.8	-29.3	0	0	0	112	V22	P20-V22 PolarHBondContact O-N 3.4Å
21	R	25.9	Very low	28.2	Very low	236 Å²	236	134.3 Å²	134.3	89%	0.891	72%	0.724	S	S	*	*			trans	-68.9	122.2	-177.2	-64.5	169.6	175.7	162.5	-4.4	111.9	I23	R21-I23 HydrophobicContact CB-CG1 4.47Å; R21-I23 PolarHBondContact O-N 2.88Å
22	V	26	Very low	28	Very low	113 Å²	113	133.1 Å²	133.1	69%	0.685	73%	0.726	S	S	*	*			trans	-85.8	95	170.6	-170.9	0	0	0	0	110	P20 H24	P20-V22 PolarHBondContact O-N 3.4Å; V22-H24 VanDerWaalsContact C-N 3.33Å; V22-H24 VanDerWaalsContact CG1-CD2 3.5Å; V22-H24 WeakPolarHBondContact CG1-CD2 3.45Å; V22-H24 WeakPolarHBondContact CG1-NE2 3.4Å; V22-H24 PolarHBondContact O-N 3.35Å
23	I	26.2	Very low	27.9	Very low	147 Å²	147	130.7 Å²	130.7	75%	0.754	71%	0.711	S	S	*	*			trans	-81.8	81.7	174.8	-56	178.6	0	0	0	108.8	R21 R25	R21-I23 HydrophobicContact CB-CG1 4.47Å; R21-I23 PolarHBondContact O-N 2.88Å; I23-R25 PolarHBondContact O-N 2.95Å; I23-R25 VanDerWaalsContact O-N 3.12Å
24	H	26.3	Very low	27.8	Very low	117 Å²	117	126.3 Å²	126.3	54%	0.542	69%	0.689	S	S	.	*			trans	-69.7	104.8	172.3	-83.1	-57.4	0	0	0	111.2	V22	V22-H24 VanDerWaalsContact C-N 3.33Å; V22-H24 VanDerWaalsContact CG1-CD2 3.5Å; V22-H24 WeakPolarHBondContact CG1-CD2 3.45Å; V22-H24 WeakPolarHBondContact CG1-NE2 3.4Å; V22-H24 PolarHBondContact O-N 3.35Å
25	R	25.1	Very low	27.8	Very low	200 Å²	200	121.2 Å²	121.2	76%	0.755	66%	0.658	S	S	*	*			trans	-126.1	79.3	143.5	-76.1	-162.7	-177.2	-174.9	5.5	109.7	I23	I23-R25 PolarHBondContact O-N 2.95Å; I23-R25 VanDerWaalsContact O-N 3.12Å
26	P	27.8	Very low	27.8	Very low	61 Å²	61	119.8 Å²	119.8	40%	0.396	65%	0.65	S	S	.	*			trans	-60.6	139.2	160.5	-11.1	27	0	0	0	108.5	P28	P26-P28 WeakPolarHBondContact O-CD 3.26Å
27	I	28.1	Very low	27.6	Very low	130 Å²	130	114 Å²	114	67%	0.667	62%	0.622	S	S	*	*			trans	-62.9	124.9	154.5	-63.6	171.3	0	0	0	105.5	I29	I27-I29 PolarHBondContact O-N 2.86Å
28	P	26.4	Very low	27.5	Very low	59 Å²	59	106.1 Å²	106.1	38%	0.383	59%	0.588	S	S	.	*			trans	-69.2	92.9	-174	-21	34.1	0	0	0	112.2	P26 T30 L914	P26-P28 WeakPolarHBondContact O-CD 3.26Å; P28-T30 PolarHBondContact O-N 3.32Å; P28-L914 HydrophobicContact CB-CD2 4.1Å; P28-L914 HydrophobicContact CG-CD1 4.33Å; P28-L914 HydrophobicContact CG-CD2 3.77Å; P28-L914 HydrophobicContact CG-CG 4.46Å
29	I	25.4	Very low	27.4	Very low	131 Å²	131	104.8 Å²	104.8	67%	0.672	57%	0.57	S	S	*	*			trans	-78.2	75.5	165.9	-53.5	174.6	0	0	0	107.4	I27	I27-I29 PolarHBondContact O-N 2.86Å
30	T	27.1	Very low	27.4	Very low	108 Å²	108	100.6 Å²	100.6	66%	0.663	55%	0.546	S	S	*	.			trans	-126	104.9	176.7	48.5	0	0	0	0	109.2	P28 S32	P28-T30 PolarHBondContact O-N 3.32Å; T30-S32 PolarHBondContact O-N 3.1Å
31	A	26.6	Very low	27.5	Very low	110 Å²	110	100.8 Å²	100.8	91%	0.909	54%	0.54	S	S	*	.			trans	-74.8	104.1	-178.5	0	0	0	0	0	111.4
32	S	26.8	Very low	27.6	Very low	110 Å²	110	93.6 Å²	93.6	77%	0.769	52%	0.522	S	S	*	.			trans	-151.1	142.2	162.1	-86	0	0	0	0	108.2	T30 V34	T30-S32 PolarHBondContact O-N 3.1Å; S32-V34 PolarHBondContact O-N 3.09Å
33	S	26.5	Very low	27.7	Very low	73 Å²	73	91.4 Å²	91.4	51%	0.51	51%	0.51	S	S	.	.			trans	-63.8	124.8	-170.1	-50.4	0	0	0	0	113.7
34	V	28.9	Very low	27.9	Very low	54 Å²	54	89.3 Å²	89.3	33%	0.327	51%	0.505	S	S	.	.			trans	-133.9	124.5	163	-177.9	0	0	0	0	108.4	S32 L36 V605	S32-V34 PolarHBondContact O-N 3.09Å; V34-L36 HydrophobicContact CG1-CG 4.36Å; V34-L36 PolarHBondContact O-N 3.07Å; V34-V605 HydrophobicContact CG2-CG1 4.05Å
35	V	28.9	Very low	27.9	Very low	11 Å²	11	95.4 Å²	95.4	7%	0.067	52%	0.524	C	S	.	.			trans	-92.5	74.2	-172.3	175.1	0	0	0	0	109.2	S37 Y322 R575 E583	V35-S37 PolarHBondContact O-N 3.48Å; V35-Y322 HydrophobicContact CG1-CE2 4.47Å; V35-Y322 WeakPolarHBondContact CG1-OH 3.44Å; V35-R575 VanDerWaalsContact C-NH1 3.34Å; V35-R575 WeakPolarHBondContact O-CD 3.4Å; V35-R575 PolarHBondContact O-NH1 3.09Å; V35-E583 VanDerWaalsContact CA-OE1 3.28Å; V35-E583 WeakPolarHBondContact CA-OE1 3.41Å; V35-E583 VanDerWaalsContact CB-OE1 3.32Å; V35-E583 WeakPolarHBondContact CB-OE1 3.31Å; V35-E583 PolarHBondContact N-OE1 3.35Å
36	L	28.3	Very low	28.1	Very low	117 Å²	117	93.5 Å²	93.5	61%	0.613	53%	0.525	S	S	*	.			trans	-68.2	123.2	177	-77.1	169.2	0	0	0	111.2	V34	V34-L36 HydrophobicContact CG1-CG 4.36Å; V34-L36 PolarHBondContact O-N 3.07Å
37	S	29.9	Very low	28.1	Very low	32 Å²	32	96 Å²	96	22%	0.224	54%	0.541	C	S	.	.			trans	-63.5	130.9	169	32.8	0	0	0	0	110.1	V35 F39	V35-S37 PolarHBondContact O-N 3.48Å; S37-F39 PolarHBondContact O-N 3.04Å
38	P	29.1	Very low	28.1	Very low	25 Å²	25	96 Å²	96	16%	0.162	55%	0.547	C	S	.	.	S	Bend	trans	-81.5	36.6	-171.6	35.6	-40.2	0	0	0	113.8	F245 M288	P38-F245 HydrophobicContact CB-CZ 4.27Å; P38-M288 HydrophobicContact CG-CE 3.75Å
39	F	31.2	Very low	28.2	Very low	88 Å²	88	103.4 Å²	103.4	39%	0.386	57%	0.568	S	S	.	*	S	Bend	trans	-118.7	132	174.2	-78.7	-106	0	0	0	109.4	S37 L289	S37-F39 PolarHBondContact O-N 3.04Å; F39-L289 HydrophobicContact CE2-CD1 4.12Å; F39-L289 HydrophobicContact CE2-CD2 4.04Å
40	E	27.6	Very low	28.4	Very low	80 Å²	80	103.3 Å²	103.3	37%	0.374	57%	0.574	S	S	.	*			trans	63.5	77.4	172.2	-70.6	152.3	138.6	0	0	118.2	V42 T907 N908	E40-V42 PolarHBondContact O-N 2.77Å; E40-T907 WeakPolarHBondContact OE2-CA 3.25Å; E40-N908 WeakPolarHBondContact CB-OD1 3.25Å; E40-N908 VanDerWaalsContact CD-N 3.29Å; E40-N908 WeakPolarHBondContact CG-OD1 3.38Å; E40-N908 PolarHBondContact OE1-ND2 3.2Å; E40-N908 PolarHBondContact OE1-OD1 3.41Å; E40-N908 PolarHBondContact OE2-N 3.3Å
41	L	29.8	Very low	28.5	Very low	115 Å²	115	105.5 Å²	105.5	60%	0.602	59%	0.586	S	S	*	*			trans	-76	100.4	148.8	-87.8	161.6	0	0	0	109.6	T43	L41-T43 PolarHBondContact O-N 3.23Å
42	V	27.7	Very low	28.7	Very low	84 Å²	84	104.4 Å²	104.4	51%	0.509	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-60.1	126	170.7	178.8	0	0	0	0	109.7	E40	E40-V42 PolarHBondContact O-N 2.77Å
43	T	29.1	Very low	28.8	Very low	68 Å²	68	106.7 Å²	106.7	42%	0.417	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-71.5	135.2	-175.7	56.8	0	0	0	0	111.7	L41 R45 D209	L41-T43 PolarHBondContact O-N 3.23Å; T43-R45 PolarHBondContact O-N 3.25Å; T43-R45 VanDerWaalsContact O-N 3.16Å; T43-D209 WeakPolarHBondContact CG2-O 3.21Å
44	P	28.4	Very low	28.9	Very low	103 Å²	103	108.5 Å²	108.5	67%	0.669	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-62.7	117.3	168.2	-17.8	30.7	0	0	0	109.8	M46	P44-M46 PolarHBondContact O-N 2.74Å
45	R	27.6	Very low	29	Very low	245 Å²	245	112.5 Å²	112.5	93%	0.925	62%	0.618	S	S	*	*			trans	-63.7	97.1	172.9	-79.9	-174.1	175.3	179.2	0	109.8	T43	T43-R45 PolarHBondContact O-N 3.25Å; T43-R45 VanDerWaalsContact O-N 3.16Å
46	M	28.4	Very low	28.9	Very low	159 Å²	159	121 Å²	121	78%	0.783	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-65.7	142	156.7	-83.9	-77.3	167	0	0	108.9	P44 V48	P44-M46 PolarHBondContact O-N 2.74Å; M46-V48 PolarHBondContact O-N 3.5Å
47	P	28.8	Very low	28.9	Very low	113 Å²	113	123.7 Å²	123.7	73%	0.734	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-62.9	134.6	-178.4	25.5	-33.8	0	0	0	110.9	R49	P47-R49 PolarHBondContact O-N 3.46Å
48	V	27.1	Very low	29.1	Very low	132 Å²	132	126.5 Å²	126.5	80%	0.8	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-61.4	124.2	174.9	178.4	0	0	0	0	108.6	M46 T50	M46-V48 PolarHBondContact O-N 3.5Å; V48-T50 PolarHBondContact O-N 2.95Å; V48-T50 VanDerWaalsContact O-N 3.07Å
49	R	28.5	Very low	29.8	Very low	213 Å²	213	128.4 Å²	128.4	80%	0.804	70%	0.696	S	S	*	*			trans	-67.2	106.3	168.9	-89.2	-177.9	157.5	-165.9	-11.6	109.2	P47	P47-R49 PolarHBondContact O-N 3.46Å
50	T	29.6	Very low	31	Very low	130 Å²	130	127.5 Å²	127.5	80%	0.798	70%	0.701	S	S	*	*			trans	-62.3	144.1	166.7	41.5	0	0	0	0	110.2	V48 A52	V48-T50 PolarHBondContact O-N 2.95Å; V48-T50 VanDerWaalsContact O-N 3.07Å; T50-A52 PolarHBondContact O-N 3.26Å
51	V	29.5	Very low	33.1	Very low	153 Å²	153	126.3 Å²	126.3	93%	0.927	70%	0.702	S	S	*	*	S	Bend	trans	-91.1	86.2	-172.8	-177.7	0	0	0	0	110
52	A	30.7	Very low	35.8	Very low	87 Å²	87	122.4 Å²	122.4	72%	0.719	68%	0.68	S	S	*	*			trans	-164.3	79.1	168.9	0	0	0	0	0	112	T50	T50-A52 PolarHBondContact O-N 3.26Å
53	D	28.8	Very low	38.9	Very low	159 Å²	159	118.9 Å²	118.9	85%	0.85	66%	0.658	S	S	*	*	S	Bend	trans	-158.5	150.3	160.7	-111.6	-30	0	0	0	111
54	P	30	Very low	42	Very low	110 Å²	110	116.5 Å²	116.5	71%	0.714	64%	0.642	S	S	*	*			trans	-72.8	152.5	-171.7	-19.5	33.9	0	0	0	115.4	E56	P54-E56 PolarHBondContact O-N 3.01Å; P54-E56 VanDerWaalsContact O-N 3.1Å
55	P	29.6	Very low	45.2	Very low	139 Å²	139	112.8 Å²	112.8	90%	0.903	62%	0.615	S	S	*	*	S	Bend	trans	-90.5	55.5	-164.1	38	-39.2	0	0	0	115.1
56	E	27.2	Very low	48.3	Very low	188 Å²	188	101.6 Å²	101.6	88%	0.879	58%	0.577	S	S	*	*			trans	-145.6	52	177	-148.1	167	-134.3	0	0	115.9	P54	P54-E56 PolarHBondContact O-N 3.01Å; P54-E56 VanDerWaalsContact O-N 3.1Å
57	M	29.5	Very low	51.3	Low	175 Å²	175	99 Å²	99	86%	0.862	57%	0.566	S	S	*	*	S	Bend	trans	-137.6	130.9	163	-80.6	-171.2	64.2	0	0	111.9	P59	M57-P59 WeakPolarHBondContact O-CD 3.3Å
58	V	33.6	Very low	54.3	Low	90 Å²	90	95.5 Å²	95.5	55%	0.545	54%	0.54	S	S	.	.			trans	-58.3	122.8	174.3	179.6	0	0	0	0	109.4	S60 H62 P155	V58-S60 PolarHBondContact O-N 3.44Å; V58-H62 HydrophobicContact CG1-CB 3.89Å; V58-P155 HydrophobicContact CG1-CB 4.43Å
59	P	43	Very low	57.4	Low	65 Å²	65	91 Å²	91	42%	0.422	52%	0.515	S	S	.	.			trans	-59.1	139.5	-176.8	-26.2	33.9	0	0	0	112.4	M57 S61 H62	M57-P59 WeakPolarHBondContact O-CD 3.3Å; P59-S61 PolarHBondContact O-N 2.92Å; P59-H62 PolarHBondContact O-N 2.82Å; P59-H62 PolarHBondContact O-ND1 3.49Å
60	S	57.6	Low	60.5	Low	69 Å²	69	86.7 Å²	86.7	48%	0.483	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	7	-173.8	58.5	0	0	0	0	115.7	V58	V58-S60 PolarHBondContact O-N 3.44Å
61	S	70.6	Confident	63.5	Low	56 Å²	56	85.8 Å²	85.8	39%	0.392	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-12.3	169.6	49.9	0	0	0	0	114.2	P59 W63 P159	P59-S61 PolarHBondContact O-N 2.92Å; S61-W63 VanDerWaalsContact C-N 3.31Å; S61-W63 PolarHBondContact O-N 2.92Å; S61-W63 PolarHBondContact O-NE1 2.87Å; S61-P159 WeakPolarHBondContact O-CD 3.47Å
62	H	86.9	Confident	66.5	Low	32 Å²	32	81.1 Å²	81.1	15%	0.148	46%	0.455	C	S	.	.			trans	-86.1	68	-177.8	-61.6	86	0	0	0	111.7	V58 P59 G156 L157	V58-H62 HydrophobicContact CG1-CB 3.89Å; P59-H62 PolarHBondContact O-N 2.82Å; P59-H62 PolarHBondContact O-ND1 3.49Å; H62-G156 PolarHBondContact O-N 3.35Å; H62-L157 CarbonylContact C-O 3.18Å; H62-L157 WeakPolarHBondContact CA-O 3.21Å
63	W	92.7	Very high	69.5	Low	11 Å²	11	77 Å²	77	4%	0.042	42%	0.421	C	S	.	.			trans	-107.2	-0.7	-174.8	49.6	-109.5	0	0	0	114.7	S61 F86 I88 I132 D133 V136 P153 P159 I163	S61-W63 VanDerWaalsContact C-N 3.31Å; S61-W63 PolarHBondContact O-N 2.92Å; S61-W63 PolarHBondContact O-NE1 2.87Å; W63-F86 HydrophobicContact CB-CE2 4.03Å; W63-F86 HydrophobicContact CB-CZ 4.38Å; W63-F86 HydrophobicContact CG-CE2 4.44Å; W63-I88 HydrophobicContact CE3-CB 3.81Å; W63-I88 HydrophobicContact CE3-CD1 3.91Å; W63-I88 HydrophobicContact CE3-CG1 3.99Å; W63-I88 HydrophobicContact CZ3-CB 3.9Å; W63-I88 HydrophobicContact CZ3-CD1 3.83Å; W63-I88 HydrophobicContact CZ3-CG1 4.22Å; W63-I88 HydrophobicContact CZ3-CG2 4.29Å; W63-I88 PolarHBondContact O-N 3.39Å; W63-I132 HydrophobicContact CH2-CB 3.95Å; W63-I132 HydrophobicContact CH2-CG2 3.56Å; W63-I132 HydrophobicContact CZ2-CG2 4.45Å; W63-I132 HydrophobicContact CZ3-CG2 3.82Å; W63-D133 HydrophobicContact CZ2-CB 4.28Å; W63-V136 HydrophobicContact CD2-CG2 4.35Å; W63-V136 HydrophobicContact CZ2-CG2 4.44Å; W63-P153 HydrophobicContact CB-CB 3.58Å; W63-P153 HydrophobicContact CB-CG 4.33Å; W63-P159 HydrophobicContact CE3-CB 4.41Å; W63-P159 HydrophobicContact CH2-CB 3.45Å; W63-P159 VanDerWaalsContact CH2-CB 3.45Å; W63-P159 HydrophobicContact CH2-CG 4.04Å; W63-P159 HydrophobicContact CZ2-CB 3.62Å; W63-P159 HydrophobicContact CZ2-CG 3.64Å; W63-P159 HydrophobicContact CZ3-CB 3.88Å; W63-I163 HydrophobicContact CH2-CD1 3.83Å; W63-I163 HydrophobicContact CH2-CG1 4.47Å; W63-I163 HydrophobicContact CZ3-CD1 3.96Å
64	F	94.7	Very high	72.6	Confident	17 Å²	17	71.2 Å²	71.2	8%	0.075	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	-99.4	131.9	-174.9	-176.1	-113.7	0	0	0	111.8	I88 Y97 L157 P159 P160 I163	F64-I88 CarbonylContact C-O 3.46Å; F64-I88 WeakPolarHBondContact CA-O 3.26Å; F64-I88 HydrophobicContact CD2-CG2 4.45Å; F64-I88 WeakPolarHBondContact CD2-O 3.47Å; F64-Y97 HydrophobicContact CE2-CD1 4.1Å; F64-Y97 HydrophobicContact CE2-CE1 4.15Å; F64-Y97 HydrophobicContact CZ-CE1 4.35Å; F64-L157 PolarHBondContact N-O 2.91Å; F64-L157 WeakPolarHBondContact O-CA 3.23Å; F64-L157 WeakPolarHBondContact O-CB 3.2Å; F64-L157 PolarHBondContact O-N 3.24Å; F64-P159 HydrophobicContact CB-CB 4.06Å; F64-P160 VanDerWaalsContact CD1-CD 3.5Å; F64-P160 HydrophobicContact CD1-CG 4.46Å; F64-P160 HydrophobicContact CE1-CG 4.07Å; F64-I163 HydrophobicContact CD2-CD1 4.05Å; F64-I163 HydrophobicContact CE2-CD1 4.19Å; F64-I163 HydrophobicContact CG-CD1 4.48Å
65	H	94.7	Very high	75.6	Confident	25 Å²	25	73.2 Å²	73.2	12%	0.116	38%	0.382	C	S	.	.			trans	-113.5	8.5	-175.1	-76.3	-112.6	0	0	0	113.6	I68 L87 I88 V154 P155	H65-I68 HydrophobicContact CB-CD1 3.57Å; H65-I68 HydrophobicContact CB-CG1 3.88Å; H65-L87 HydrophobicContact CB-CD1 4.34Å; H65-I88 PolarHBondContact N-O 3.05Å; H65-V154 PolarHBondContact NE2-O 2.99Å; H65-P155 PolarHBondContact CE1-O 3.02Å; H65-P155 PolarHBondContact NE2-O 3.25Å
66	G	92.7	Very high	78.7	Confident	11 Å²	11	69.6 Å²	69.6	11%	0.113	36%	0.355	C	S	.	.			trans	61.5	-138.8	179.8	0	0	0	0	0	112.6	I68 R89 F90	G66-I68 PolarHBondContact O-N 3.34Å; G66-R89 CarbonylContact O-C 3.6Å; G66-R89 WeakPolarHBondContact O-CA 3.39Å; G66-R89 WeakPolarHBondContact O-CB 3.48Å; G66-F90 PolarHBondContact O-N 3.07Å
67	N	92.4	Very high	81.8	Confident	105 Å²	105	60.6 Å²	60.6	56%	0.561	31%	0.313	S	S	*	.	S	Bend	trans	-92.2	50.9	-170.2	-65.8	0.7	0	0	0	113.2	I92	N67-I92 HydrophobicContact CB-CD1 4.08Å; N67-I92 HydrophobicContact CB-CG1 4.28Å
68	I	92	Very high	84.6	Confident	38 Å²	38	57.2 Å²	57.2	20%	0.195	29%	0.293	C	S	.	.			trans	-81.2	148.5	175.9	57.2	164	0	0	0	112.9	H65 G66 D72 T73 L76 L87 R89	H65-I68 HydrophobicContact CB-CD1 3.57Å; H65-I68 HydrophobicContact CB-CG1 3.88Å; G66-I68 PolarHBondContact O-N 3.34Å; I68-D72 HydrophobicContact CB-CB 4.46Å; I68-T73 VanDerWaalsContact CD1-OG1 3.23Å; I68-T73 WeakPolarHBondContact CD1-OG1 3.26Å; I68-L76 HydrophobicContact CD1-CD1 3.84Å; I68-L87 HydrophobicContact CD1-CD1 4.06Å; I68-L87 HydrophobicContact CD1-CD2 4.2Å; I68-R89 HydrophobicContact CD1-CB 4.41Å; I68-R89 HydrophobicContact CG1-CB 3.74Å; I68-R89 PolarHBondContact O-NH1 2.79Å
69	S	92.3	Very high	87.1	Confident	39 Å²	39	60.2 Å²	60.2	27%	0.273	30%	0.301	S	S	.	.			trans	-66.5	166.4	176	76.1	0	0	0	0	111.7	E71 D72 T73	S69-E71 WeakPolarHBondContact CB-OE2 3.49Å; S69-E71 PolarHBondContact O-N 3.18Å; S69-E71 PolarHBondContact OG-N 3.45Å; S69-E71 PolarHBondContact OG-OE2 2.92Å; S69-D72 WeakPolarHBondContact CB-OD2 3.38Å; S69-D72 WeakPolarHBondContact OG-CB 3.49Å; S69-D72 PolarHBondContact OG-N 3.16Å; S69-D72 PolarHBondContact OG-OD2 3.17Å; S69-T73 WeakPolarHBondContact O-CB 3.34Å; S69-T73 PolarHBondContact O-N 2.86Å; S69-T73 VanDerWaalsContact O-N 3.1Å; S69-T73 PolarHBondContact O-OG1 3.43Å
70	R	92.7	Very high	88.9	Confident	122 Å²	122	60.4 Å²	60.4	46%	0.46	30%	0.296	S	S	.	.	H	α-helix	trans	-65.1	-36.5	172.5	176.2	-176.1	170.5	155.4	2.8	110	T73 E74	R70-T73 VanDerWaalsContact O-CB 3.31Å; R70-T73 WeakPolarHBondContact O-CB 3.29Å; R70-T73 PolarHBondContact O-N 2.83Å; R70-E74 HydrophobicContact CG-CG 4.45Å; R70-E74 IonicContact CZ-OE1 3.98Å; R70-E74 IonicContact NE-OE1 2.74Å; R70-E74 PolarHBondContact NE-OE1 3Å; R70-E74 IonicContact NH2-OE1 3.68Å; R70-E74 PolarHBondContact NH2-OE1 2.99Å; R70-E74 WeakPolarHBondContact O-CG 3.5Å; R70-E74 PolarHBondContact O-N 2.91Å
71	E	92.7	Very high	89.8	Confident	110 Å²	110	62.8 Å²	62.8	51%	0.514	30%	0.303	S	S	.	.	H	α-helix	trans	-70.3	-39.7	-174.1	-62.8	61.1	-137.6	0	0	110.9	S69 R75	S69-E71 WeakPolarHBondContact CB-OE2 3.49Å; S69-E71 PolarHBondContact O-N 3.18Å; S69-E71 PolarHBondContact OG-N 3.45Å; S69-E71 PolarHBondContact OG-OE2 2.92Å; E71-R75 WeakPolarHBondContact O-CG 3.4Å; E71-R75 PolarHBondContact O-N 3.2Å; E71-R75 VanDerWaalsContact O-N 3.12Å; E71-R75 PolarHBondContact O-NE 3.12Å
72	D	93.4	Very high	90.6	Very high	55 Å²	55	65.6 Å²	65.6	29%	0.294	31%	0.31	S	S	.	.	H	α-helix	trans	-69.2	-40.3	171.8	-54.7	-46.5	0	0	0	110.9	I68 S69 E74 R75 L76	I68-D72 HydrophobicContact CB-CB 4.46Å; S69-D72 WeakPolarHBondContact CB-OD2 3.38Å; S69-D72 WeakPolarHBondContact OG-CB 3.49Å; S69-D72 PolarHBondContact OG-N 3.16Å; S69-D72 PolarHBondContact OG-OD2 3.17Å; D72-E74 PolarHBondContact O-N 2.92Å; D72-R75 PolarHBondContact O-N 2.99Å; D72-R75 IonicContact OD1-CZ 2.78Å; D72-R75 IonicContact OD1-NH1 2.68Å; D72-R75 PolarHBondContact OD1-NH1 3.38Å; D72-R75 IonicContact OD1-NH2 3.32Å; D72-R75 PolarHBondContact OD1-NH2 2.96Å; D72-L76 WeakPolarHBondContact O-CB 3.47Å; D72-L76 WeakPolarHBondContact O-CG 3.21Å; D72-L76 PolarHBondContact O-N 3.22Å
73	T	93.4	Very high	90.8	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-58.7	-45.7	175.1	-59.1	0	0	0	0	111.8	I68 S69 R70 L76 L77 L87 R89	I68-T73 VanDerWaalsContact CD1-OG1 3.23Å; I68-T73 WeakPolarHBondContact CD1-OG1 3.26Å; S69-T73 WeakPolarHBondContact O-CB 3.34Å; S69-T73 PolarHBondContact O-N 2.86Å; S69-T73 VanDerWaalsContact O-N 3.1Å; S69-T73 PolarHBondContact O-OG1 3.43Å; R70-T73 VanDerWaalsContact O-CB 3.31Å; R70-T73 WeakPolarHBondContact O-CB 3.29Å; R70-T73 PolarHBondContact O-N 2.83Å; T73-L76 PolarHBondContact O-N 3.09Å; T73-L77 HydrophobicContact CG2-CD1 3.9Å; T73-L77 WeakPolarHBondContact O-CB 3.44Å; T73-L77 PolarHBondContact O-N 2.91Å; T73-L87 HydrophobicContact CG2-CD1 3.81Å; T73-L87 HydrophobicContact CG2-CD2 4.22Å; T73-L87 HydrophobicContact CG2-CG 4.18Å; T73-R89 WeakPolarHBondContact OG1-CD 3.3Å; T73-R89 PolarHBondContact OG1-NE 3.02Å
74	E	93.7	Very high	90.7	Very high	38 Å²	38	67.1 Å²	67.1	18%	0.178	32%	0.321	C	S	.	.	H	α-helix	trans	-65.3	-38.6	176.8	-73.5	-166.7	-154.5	0	0	111.6	R70 D72 K78 L107 H109	R70-E74 HydrophobicContact CG-CG 4.45Å; R70-E74 IonicContact CZ-OE1 3.98Å; R70-E74 IonicContact NE-OE1 2.74Å; R70-E74 PolarHBondContact NE-OE1 3Å; R70-E74 IonicContact NH2-OE1 3.68Å; R70-E74 PolarHBondContact NH2-OE1 2.99Å; R70-E74 WeakPolarHBondContact O-CG 3.5Å; R70-E74 PolarHBondContact O-N 2.91Å; D72-E74 PolarHBondContact O-N 2.92Å; E74-K78 HydrophobicContact CB-CD 4.5Å; E74-K78 WeakPolarHBondContact O-CB 3.3Å; E74-K78 VanDerWaalsContact O-CD 3.3Å; E74-K78 WeakPolarHBondContact O-CD 3.15Å; E74-K78 WeakPolarHBondContact O-CG 3.44Å; E74-K78 PolarHBondContact O-N 3.09Å; E74-K78 IonicContact OE2-NZ 3.76Å; E74-K78 PolarHBondContact OE2-NZ 2.66Å; E74-L107 HydrophobicContact CB-CD2 4.4Å; E74-L107 HydrophobicContact CG-CD1 4.46Å; E74-L107 HydrophobicContact CG-CD2 4.21Å; E74-H109 IonicContact OE1-NE2 3.06Å
75	R	93	Very high	90.7	Very high	153 Å²	153	66.6 Å²	66.6	58%	0.577	32%	0.319	S	S	*	.	H	α-helix	trans	-62.8	-47.4	173.8	-78.3	-179.5	-104.2	123.3	6.9	112.2	E71 D72 L77 K78 H79	E71-R75 WeakPolarHBondContact O-CG 3.4Å; E71-R75 PolarHBondContact O-N 3.2Å; E71-R75 VanDerWaalsContact O-N 3.12Å; E71-R75 PolarHBondContact O-NE 3.12Å; D72-R75 PolarHBondContact O-N 2.99Å; D72-R75 IonicContact OD1-CZ 2.78Å; D72-R75 IonicContact OD1-NH1 2.68Å; D72-R75 PolarHBondContact OD1-NH1 3.38Å; D72-R75 IonicContact OD1-NH2 3.32Å; D72-R75 PolarHBondContact OD1-NH2 2.96Å; R75-L77 PolarHBondContact O-N 2.67Å; R75-K78 PolarHBondContact O-N 3.02Å; R75-H79 PolarHBondContact O-N 3.5Å; R75-H79 VanDerWaalsContact O-N 3.13Å
76	L	93.1	Very high	90.7	Very high	62 Å²	62	65.4 Å²	65.4	33%	0.325	31%	0.313	S	S	.	.	H	α-helix	trans	-60.9	-43.7	178.8	-73.9	168.5	0	0	0	112.4	I68 D72 T73 H80 L87	I68-L76 HydrophobicContact CD1-CD1 3.84Å; D72-L76 WeakPolarHBondContact O-CB 3.47Å; D72-L76 WeakPolarHBondContact O-CG 3.21Å; D72-L76 PolarHBondContact O-N 3.22Å; T73-L76 PolarHBondContact O-N 3.09Å; L76-H80 PolarHBondContact O-ND1 3.42Å; L76-L87 HydrophobicContact CB-CD2 4.22Å; L76-L87 HydrophobicContact CD1-CD2 4.24Å
77	L	92.3	Very high	90.8	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-74.3	-36.9	178.5	-73.9	168.8	0	0	0	112.6	T73 R75 H79 H80 T85 L87 L107 V154	T73-L77 HydrophobicContact CG2-CD1 3.9Å; T73-L77 WeakPolarHBondContact O-CB 3.44Å; T73-L77 PolarHBondContact O-N 2.91Å; R75-L77 PolarHBondContact O-N 2.67Å; L77-H79 PolarHBondContact O-N 3.14Å; L77-H80 CarbonylContact O-C 3.55Å; L77-H80 PolarHBondContact O-N 3.45Å; L77-T85 HydrophobicContact CD2-CG2 4.17Å; L77-T85 WeakPolarHBondContact CD2-O 3.44Å; L77-L87 HydrophobicContact CD1-CG 4.4Å; L77-L87 HydrophobicContact CG-CD2 4.25Å; L77-L87 HydrophobicContact CG-CG 4.45Å; L77-L107 HydrophobicContact CB-CD2 3.41Å; L77-L107 VanDerWaalsContact CB-CD2 3.41Å; L77-L107 HydrophobicContact CD1-CD2 3.79Å; L77-L107 HydrophobicContact CG-CD2 4.24Å; L77-V154 HydrophobicContact CD2-CG2 3.63Å; L77-V154 HydrophobicContact CG-CG2 4.43Å
78	K	89.4	Confident	91	Very high	103 Å²	103	59.9 Å²	59.9	45%	0.448	28%	0.281	S	S	.	.	H	α-helix	trans	-63.1	-27.6	174.2	-76.4	163.6	174	152.4	0	112.7	E74 R75 H80 L81 L107	E74-K78 HydrophobicContact CB-CD 4.5Å; E74-K78 WeakPolarHBondContact O-CB 3.3Å; E74-K78 VanDerWaalsContact O-CD 3.3Å; E74-K78 WeakPolarHBondContact O-CD 3.15Å; E74-K78 WeakPolarHBondContact O-CG 3.44Å; E74-K78 PolarHBondContact O-N 3.09Å; E74-K78 IonicContact OE2-NZ 3.76Å; E74-K78 PolarHBondContact OE2-NZ 2.66Å; R75-K78 PolarHBondContact O-N 3.02Å; K78-H80 VanDerWaalsContact C-N 3.25Å; K78-H80 PolarHBondContact O-N 2.87Å; K78-L81 VanDerWaalsContact O-CD2 3.24Å; K78-L81 WeakPolarHBondContact O-CD2 3.48Å; K78-L81 WeakPolarHBondContact O-CG 3.4Å; K78-L107 HydrophobicContact CD-CD1 4.27Å; K78-L107 VanDerWaalsContact CE-CD1 3.47Å; K78-L107 HydrophobicContact CG-CD1 4Å
79	H	86.9	Confident	91.2	Very high	154 Å²	154	58.8 Å²	58.8	71%	0.713	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-20.1	171.4	-167.7	-80.7	0	0	0	113.1	R75 L77	R75-H79 PolarHBondContact O-N 3.5Å; R75-H79 VanDerWaalsContact O-N 3.13Å; L77-H79 PolarHBondContact O-N 3.14Å
80	H	79.4	Confident	91.3	Very high	69 Å²	69	59.1 Å²	59.1	32%	0.319	27%	0.271	S	S	.	.			trans	-116.5	72.2	-177.1	-61.5	84.5	0	0	0	110.7	L76 L77 K78 Q82 T85	L76-H80 PolarHBondContact O-ND1 3.42Å; L77-H80 CarbonylContact O-C 3.55Å; L77-H80 PolarHBondContact O-N 3.45Å; K78-H80 VanDerWaalsContact C-N 3.25Å; K78-H80 PolarHBondContact O-N 2.87Å; H80-Q82 PolarHBondContact O-N 2.87Å; H80-T85 HydrophobicContact CB-CG2 3.75Å
81	L	76.5	Confident	91.2	Very high	119 Å²	119	53.7 Å²	53.7	62%	0.623	25%	0.252	S	S	*	.			trans	-63.5	10.6	-171.8	-63.2	172.6	0	0	0	116.5	K78	K78-L81 VanDerWaalsContact O-CD2 3.24Å; K78-L81 WeakPolarHBondContact O-CD2 3.48Å; K78-L81 WeakPolarHBondContact O-CG 3.4Å
82	Q	88.6	Confident	90.8	Very high	115 Å²	115	53.1 Å²	53.1	54%	0.537	25%	0.251	S	S	.	.	S	Bend	trans	-83.2	121.9	178.3	179.2	167.8	33.5	0	0	110.8	H80 G84 T85 I102	H80-Q82 PolarHBondContact O-N 2.87Å; Q82-G84 PolarHBondContact O-N 3.27Å; Q82-T85 WeakPolarHBondContact O-CB 3.49Å; Q82-T85 PolarHBondContact O-N 3.41Å; Q82-T85 PolarHBondContact O-OG1 3.23Å; Q82-I102 WeakPolarHBondContact O-CG2 3.16Å
83	N	90.7	Very high	90.2	Very high	73 Å²	73	55.8 Å²	55.8	39%	0.39	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	135.7	174.5	-82.4	1.6	0	0	0	112	T85 Y103 N104	N83-T85 VanDerWaalsContact C-N 3.27Å; N83-T85 PolarHBondContact O-N 3.06Å; N83-Y103 HydrophobicContact CB-CD2 4.06Å; N83-N104 PolarHBondContact ND2-OD1 3.18Å; N83-N104 PolarHBondContact OD1-N 2.9Å
84	G	90.8	Very high	89.8	Confident	2 Å²	2	59.5 Å²	59.5	2%	0.021	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	-3.3	-175.5	0	0	0	0	0	114.2	Q82 F86 I102 G151	Q82-G84 PolarHBondContact O-N 3.27Å; G84-F86 PolarHBondContact O-N 3.35Å; G84-I102 PolarHBondContact N-O 2.76Å; G84-G151 PolarHBondContact O-N 3.46Å
85	T	94	Very high	89.3	Confident	5 Å²	5	63.1 Å²	63.1	3%	0.031	31%	0.313	C	S	.	.			trans	-64.3	133.2	172.9	-59.3	0	0	0	0	110.3	L77 H80 Q82 N83 V101 I102 K152 V154	L77-T85 HydrophobicContact CD2-CG2 4.17Å; L77-T85 WeakPolarHBondContact CD2-O 3.44Å; H80-T85 HydrophobicContact CB-CG2 3.75Å; Q82-T85 WeakPolarHBondContact O-CB 3.49Å; Q82-T85 PolarHBondContact O-N 3.41Å; Q82-T85 PolarHBondContact O-OG1 3.23Å; N83-T85 VanDerWaalsContact C-N 3.27Å; N83-T85 PolarHBondContact O-N 3.06Å; T85-V101 WeakPolarHBondContact O-CA 3.26Å; T85-I102 PolarHBondContact O-N 3.18Å; T85-K152 VanDerWaalsContact CA-O 3.31Å; T85-K152 WeakPolarHBondContact CA-O 3.47Å; T85-V154 HydrophobicContact CG2-CG2 3.66Å
86	F	94.9	Very high	89.2	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	162.5	-168.6	76.2	-80.5	0	0	0	113.6	W63 G84 L99 S100 V101 V136 L150 K152 P153 V154	W63-F86 HydrophobicContact CB-CE2 4.03Å; W63-F86 HydrophobicContact CB-CZ 4.38Å; W63-F86 HydrophobicContact CG-CE2 4.44Å; G84-F86 PolarHBondContact O-N 3.35Å; F86-L99 HydrophobicContact CB-CD1 4.2Å; F86-L99 HydrophobicContact CD2-CD1 3.8Å; F86-L99 HydrophobicContact CG-CD1 4.36Å; F86-S100 CarbonylContact C-O 3.53Å; F86-S100 WeakPolarHBondContact CA-O 3.48Å; F86-S100 WeakPolarHBondContact CB-O 3.45Å; F86-V101 HydrophobicContact CB-CB 4.06Å; F86-V101 HydrophobicContact CB-CG2 4.16Å; F86-V136 HydrophobicContact CE2-CG1 3.87Å; F86-V136 HydrophobicContact CE2-CG2 4.12Å; F86-V136 HydrophobicContact CZ-CG1 3.69Å; F86-L150 HydrophobicContact CB-CD2 3.89Å; F86-L150 HydrophobicContact CD1-CB 3.8Å; F86-L150 HydrophobicContact CD1-CD1 4.46Å; F86-L150 HydrophobicContact CD1-CD2 4.29Å; F86-L150 HydrophobicContact CD1-CG 4.4Å; F86-L150 HydrophobicContact CD2-CD1 4.05Å; F86-L150 HydrophobicContact CE1-CB 3.9Å; F86-L150 HydrophobicContact CE2-CD1 4.16Å; F86-L150 HydrophobicContact CG-CB 4.28Å; F86-L150 HydrophobicContact CG-CD1 4.21Å; F86-L150 HydrophobicContact CG-CD2 4Å; F86-L150 HydrophobicContact CG-CG 4.39Å; F86-L150 HydrophobicContact CZ-CB 4.46Å; F86-L150 HydrophobicContact CZ-CD1 4.41Å; F86-K152 PolarHBondContact N-O 3.12Å; F86-P153 HydrophobicContact CD1-CB 4.46Å; F86-P153 HydrophobicContact CE1-CB 3.92Å; F86-P153 HydrophobicContact CE2-CB 4.28Å; F86-P153 HydrophobicContact CZ-CB 3.82Å; F86-P153 CarbonylContact O-C 3.54Å; F86-P153 VanDerWaalsContact O-CA 3.25Å; F86-P153 WeakPolarHBondContact O-CA 3.46Å; F86-V154 PolarHBondContact O-N 2.98Å
87	L	95.7	Very high	89.2	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	162.8	164.2	67.4	79	0	0	0	110.5	H65 I68 T73 L76 L77 R89 S100 V154	H65-L87 HydrophobicContact CB-CD1 4.34Å; I68-L87 HydrophobicContact CD1-CD1 4.06Å; I68-L87 HydrophobicContact CD1-CD2 4.2Å; T73-L87 HydrophobicContact CG2-CD1 3.81Å; T73-L87 HydrophobicContact CG2-CD2 4.22Å; T73-L87 HydrophobicContact CG2-CG 4.18Å; L76-L87 HydrophobicContact CB-CD2 4.22Å; L76-L87 HydrophobicContact CD1-CD2 4.24Å; L77-L87 HydrophobicContact CD1-CG 4.4Å; L77-L87 HydrophobicContact CG-CD2 4.25Å; L77-L87 HydrophobicContact CG-CG 4.45Å; L87-R89 HydrophobicContact CD1-CB 4.19Å; L87-S100 PolarHBondContact N-O 3.08Å; L87-S100 PolarHBondContact O-N 3.1Å; L87-V154 HydrophobicContact CB-CB 4.3Å; L87-V154 HydrophobicContact CD2-CB 4.31Å; L87-V154 HydrophobicContact CD2-CG2 4.35Å
88	I	96.2	Very high	89.4	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	133.8	170.6	-55.3	-173.1	0	0	0	109.6	W63 F64 H65 V98 L99 I112 I132 V136	W63-I88 HydrophobicContact CE3-CB 3.81Å; W63-I88 HydrophobicContact CE3-CD1 3.91Å; W63-I88 HydrophobicContact CE3-CG1 3.99Å; W63-I88 HydrophobicContact CZ3-CB 3.9Å; W63-I88 HydrophobicContact CZ3-CD1 3.83Å; W63-I88 HydrophobicContact CZ3-CG1 4.22Å; W63-I88 HydrophobicContact CZ3-CG2 4.29Å; W63-I88 PolarHBondContact O-N 3.39Å; F64-I88 CarbonylContact C-O 3.46Å; F64-I88 WeakPolarHBondContact CA-O 3.26Å; F64-I88 HydrophobicContact CD2-CG2 4.45Å; F64-I88 WeakPolarHBondContact CD2-O 3.47Å; H65-I88 PolarHBondContact N-O 3.05Å; I88-V98 WeakPolarHBondContact CA-O 3.43Å; I88-L99 HydrophobicContact CD1-CD1 4.24Å; I88-L99 HydrophobicContact CG1-CB 4.44Å; I88-L99 HydrophobicContact CG1-CD1 3.93Å; I88-I112 HydrophobicContact CD1-CD1 4.08Å; I88-I112 HydrophobicContact CG2-CD1 4.11Å; I88-I132 HydrophobicContact CD1-CG2 3.38Å; I88-I132 HydrophobicContact CG2-CG2 4.46Å; I88-V136 HydrophobicContact CD1-CG2 3.43Å; I88-V136 VanDerWaalsContact CD1-CG2 3.43Å
89	R	95.4	Very high	89.7	Confident	15 Å²	15	52.4 Å²	52.4	6%	0.057	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	162.7	178.1	68.9	-167.6	-178.2	79.7	6.3	110.6	G66 I68 T73 L87 S91 Y97 V98	G66-R89 CarbonylContact O-C 3.6Å; G66-R89 WeakPolarHBondContact O-CA 3.39Å; G66-R89 WeakPolarHBondContact O-CB 3.48Å; I68-R89 HydrophobicContact CD1-CB 4.41Å; I68-R89 HydrophobicContact CG1-CB 3.74Å; I68-R89 PolarHBondContact O-NH1 2.79Å; T73-R89 WeakPolarHBondContact OG1-CD 3.3Å; T73-R89 PolarHBondContact OG1-NE 3.02Å; L87-R89 HydrophobicContact CD1-CB 4.19Å; R89-S91 PolarHBondContact NH1-OG 3.24Å; R89-Y97 CarbonylContact O-C 3.55Å; R89-Y97 VanDerWaalsContact O-CA 3.3Å; R89-Y97 WeakPolarHBondContact O-CA 3.28Å; R89-V98 HydrophobicContact CG-CB 4.12Å; R89-V98 PolarHBondContact N-O 3.33Å; R89-V98 PolarHBondContact O-N 3.48Å
90	F	94	Very high	90.1	Very high	46 Å²	46	45 Å²	45	20%	0.202	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	130.8	163.3	-175.1	-99.8	0	0	0	109.8	G66 H95 Y97	G66-F90 PolarHBondContact O-N 3.07Å; F90-H95 HydrophobicContact CZ-CB 4.23Å; F90-Y97 HydrophobicContact CB-CD1 4.04Å; F90-Y97 HydrophobicContact CB-CE1 4.1Å; F90-Y97 AromaticContact CD2-CD1 3.77Å; F90-Y97 HydrophobicContact CD2-CD1 3.77Å; F90-Y97 HydrophobicContact CD2-CD2 4.43Å; F90-Y97 AromaticContact CD2-CE1 3.65Å; F90-Y97 HydrophobicContact CD2-CE1 3.65Å; F90-Y97 HydrophobicContact CD2-CE2 4.33Å; F90-Y97 HydrophobicContact CD2-CG 4.15Å; F90-Y97 AromaticContact CD2-CZ 3.93Å; F90-Y97 HydrophobicContact CG-CD1 4.41Å; F90-Y97 HydrophobicContact CG-CE1 4.29Å
91	S	91.9	Very high	90.8	Very high	8 Å²	8	41.8 Å²	41.8	6%	0.056	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	100.5	-175.2	-173.8	0	0	0	0	109.7	R89 S93 T94 H95 K96	R89-S91 PolarHBondContact NH1-OG 3.24Å; S91-S93 VanDerWaalsContact C-N 3.31Å; S91-S93 PolarHBondContact O-N 3.06Å; S91-T94 VanDerWaalsContact CB-OG1 3.29Å; S91-T94 WeakPolarHBondContact CB-OG1 3.44Å; S91-T94 CarbonylContact O-C 3.41Å; S91-T94 PolarHBondContact O-N 3.08Å; S91-T94 VanDerWaalsContact O-N 3.13Å; S91-T94 PolarHBondContact O-OG1 3.21Å; S91-T94 PolarHBondContact OG-OG1 3.01Å; S91-H95 WeakPolarHBondContact O-CA 3.34Å; S91-H95 PolarHBondContact O-N 3.44Å; S91-K96 WeakPolarHBondContact CB-O 3.5Å; S91-K96 PolarHBondContact N-O 3.16Å
92	I	84.2	Confident	91.7	Very high	99 Å²	99	36.2 Å²	36.2	51%	0.508	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-52.6	-47.4	-176	-61.3	172	0	0	0	111.4	N67 T94 H95	N67-I92 HydrophobicContact CB-CD1 4.08Å; N67-I92 HydrophobicContact CB-CG1 4.28Å; I92-T94 PolarHBondContact O-N 3.21Å; I92-T94 VanDerWaalsContact O-N 3.11Å; I92-H95 PolarHBondContact O-N 3.18Å
93	S	81.2	Confident	91.8	Very high	110 Å²	110	34.2 Å²	34.2	77%	0.769	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-64.8	-15.3	-176.1	54.1	0	0	0	0	115.1	S91	S91-S93 VanDerWaalsContact C-N 3.31Å; S91-S93 PolarHBondContact O-N 3.06Å
94	T	83.6	Confident	91.7	Very high	78 Å²	78	35.4 Å²	35.4	48%	0.479	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-124.1	1.1	-179.9	58	0	0	0	0	112.9	S91 I92 K96	S91-T94 VanDerWaalsContact CB-OG1 3.29Å; S91-T94 WeakPolarHBondContact CB-OG1 3.44Å; S91-T94 CarbonylContact O-C 3.41Å; S91-T94 PolarHBondContact O-N 3.08Å; S91-T94 VanDerWaalsContact O-N 3.13Å; S91-T94 PolarHBondContact O-OG1 3.21Å; S91-T94 PolarHBondContact OG-OG1 3.01Å; I92-T94 PolarHBondContact O-N 3.21Å; I92-T94 VanDerWaalsContact O-N 3.11Å; T94-K96 WeakPolarHBondContact O-CG 3.47Å; T94-K96 PolarHBondContact O-N 2.85Å; T94-K96 VanDerWaalsContact O-N 3.08Å
95	H	83.8	Confident	91.4	Very high	114 Å²	114	42.9 Å²	42.9	53%	0.528	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	41.4	39.8	-172.1	-67	-75.4	0	0	0	114.8	F90 S91 I92	F90-H95 HydrophobicContact CZ-CB 4.23Å; S91-H95 WeakPolarHBondContact O-CA 3.34Å; S91-H95 PolarHBondContact O-N 3.44Å; I92-H95 PolarHBondContact O-N 3.18Å
96	K	89.7	Confident	91.3	Very high	65 Å²	65	48.4 Å²	48.4	28%	0.283	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	152	-178.5	-76.3	-179.4	-179.1	-177.6	0	111.2	S91 T94 E113	S91-K96 WeakPolarHBondContact CB-O 3.5Å; S91-K96 PolarHBondContact N-O 3.16Å; T94-K96 WeakPolarHBondContact O-CG 3.47Å; T94-K96 PolarHBondContact O-N 2.85Å; T94-K96 VanDerWaalsContact O-N 3.08Å; K96-E113 IonicContact NZ-OE1 3.74Å; K96-E113 PolarHBondContact NZ-OE1 3.42Å; K96-E113 VanDerWaalsContact NZ-OE1 3.12Å; K96-E113 IonicContact NZ-OE2 3.97Å; K96-E113 PolarHBondContact NZ-OE2 3.09Å
97	Y	95.1	Very high	91.2	Very high	21 Å²	21	49.9 Å²	49.9	8%	0.082	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	154.1	167.9	-57.7	-81.2	0	0	0	109.7	F64 R89 F90 I112 Y120 I132 H162 I163	F64-Y97 HydrophobicContact CE2-CD1 4.1Å; F64-Y97 HydrophobicContact CE2-CE1 4.15Å; F64-Y97 HydrophobicContact CZ-CE1 4.35Å; R89-Y97 CarbonylContact O-C 3.55Å; R89-Y97 VanDerWaalsContact O-CA 3.3Å; R89-Y97 WeakPolarHBondContact O-CA 3.28Å; F90-Y97 HydrophobicContact CB-CD1 4.04Å; F90-Y97 HydrophobicContact CB-CE1 4.1Å; F90-Y97 AromaticContact CD2-CD1 3.77Å; F90-Y97 HydrophobicContact CD2-CD1 3.77Å; F90-Y97 HydrophobicContact CD2-CD2 4.43Å; F90-Y97 AromaticContact CD2-CE1 3.65Å; F90-Y97 HydrophobicContact CD2-CE1 3.65Å; F90-Y97 HydrophobicContact CD2-CE2 4.33Å; F90-Y97 HydrophobicContact CD2-CG 4.15Å; F90-Y97 AromaticContact CD2-CZ 3.93Å; F90-Y97 HydrophobicContact CG-CD1 4.41Å; F90-Y97 HydrophobicContact CG-CE1 4.29Å; Y97-I112 PolarHBondContact O-N 3.02Å; Y97-Y120 HydrophobicContact CD2-CE1 4.16Å; Y97-Y120 HydrophobicContact CE2-CE1 4.05Å; Y97-I132 HydrophobicContact CD1-CD1 4.33Å; Y97-I132 HydrophobicContact CD2-CD1 3.81Å; Y97-I132 HydrophobicContact CE2-CD1 4.39Å; Y97-I132 HydrophobicContact CG-CD1 3.79Å; Y97-H162 PolarHBondContact OH-NE2 2.85Å; Y97-I163 HydrophobicContact CE1-CG2 3.92Å; Y97-I163 HydrophobicContact CE2-CG2 3.95Å; Y97-I163 VanDerWaalsContact CZ-CG2 3.48Å; Y97-I163 WeakPolarHBondContact OH-CG2 3.39Å
98	V	96.4	Very high	91.1	Very high	7 Å²	7	53 Å²	53	4%	0.042	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	115.9	-179.1	-176.6	0	0	0	0	109.8	I88 R89 H109 Y110	I88-V98 WeakPolarHBondContact CA-O 3.43Å; R89-V98 HydrophobicContact CG-CB 4.12Å; R89-V98 PolarHBondContact N-O 3.33Å; R89-V98 PolarHBondContact O-N 3.48Å; V98-H109 HydrophobicContact CG1-CB 3.92Å; V98-Y110 CarbonylContact C-O 3.57Å; V98-Y110 WeakPolarHBondContact CA-O 3.15Å
99	L	95.1	Very high	91	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	120.4	165.5	171.3	62.1	0	0	0	108.4	F86 I88 Y110 I112 F139 I146 L150	F86-L99 HydrophobicContact CB-CD1 4.2Å; F86-L99 HydrophobicContact CD2-CD1 3.8Å; F86-L99 HydrophobicContact CG-CD1 4.36Å; I88-L99 HydrophobicContact CD1-CD1 4.24Å; I88-L99 HydrophobicContact CG1-CB 4.44Å; I88-L99 HydrophobicContact CG1-CD1 3.93Å; L99-Y110 PolarHBondContact N-O 3.26Å; L99-Y110 PolarHBondContact O-N 3.44Å; L99-I112 HydrophobicContact CB-CD1 4.12Å; L99-I112 HydrophobicContact CB-CG1 4.31Å; L99-F139 HydrophobicContact CD2-CD2 3.98Å; L99-F139 HydrophobicContact CD2-CE2 4.31Å; L99-I146 HydrophobicContact CD2-CD1 4.41Å; L99-L150 HydrophobicContact CD1-CD1 3.93Å; L99-L150 HydrophobicContact CD1-CD2 4.14Å; L99-L150 HydrophobicContact CD2-CD1 4.13Å; L99-L150 HydrophobicContact CD2-CD2 4.35Å
100	S	95.6	Very high	91	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	123.9	178.6	-56	0	0	0	0	109.1	F86 L87 Y108 H109	F86-S100 CarbonylContact C-O 3.53Å; F86-S100 WeakPolarHBondContact CA-O 3.48Å; F86-S100 WeakPolarHBondContact CB-O 3.45Å; L87-S100 PolarHBondContact N-O 3.08Å; L87-S100 PolarHBondContact O-N 3.1Å; S100-Y108 WeakPolarHBondContact CA-O 3.35Å; S100-H109 WeakPolarHBondContact CB-ND1 3.28Å; S100-H109 PolarHBondContact OG-ND1 2.82Å
101	V	94.3	Very high	91	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	143.1	-175	61.5	0	0	0	0	111.1	T85 F86 Y108 Y110 V147 L150	T85-V101 WeakPolarHBondContact O-CA 3.26Å; F86-V101 HydrophobicContact CB-CB 4.06Å; F86-V101 HydrophobicContact CB-CG2 4.16Å; V101-Y108 PolarHBondContact N-O 3.45Å; V101-Y108 PolarHBondContact O-N 2.87Å; V101-Y110 HydrophobicContact CG1-CD2 4.29Å; V101-Y110 HydrophobicContact CG1-CE2 3.8Å; V101-V147 HydrophobicContact CG1-CG1 4Å; V101-L150 HydrophobicContact CB-CD2 4.12Å; V101-L150 HydrophobicContact CG2-CD2 3.87Å
102	I	94	Very high	91.1	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.01	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	133.8	174.1	-163.9	169.2	0	0	0	111.2	Q82 G84 T85 Q106 L107	Q82-I102 WeakPolarHBondContact O-CG2 3.16Å; G84-I102 PolarHBondContact N-O 2.76Å; T85-I102 PolarHBondContact O-N 3.18Å; I102-Q106 WeakPolarHBondContact CA-O 3.26Å; I102-Q106 WeakPolarHBondContact CG1-O 3.3Å; I102-L107 HydrophobicContact CG1-CG 4.3Å
103	Y	91.2	Very high	91.3	Very high	74 Å²	74	54.8 Å²	54.8	29%	0.29	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	129.6	174.5	-178.9	-97.7	0	0	0	110.4	N83 Q105 Q106 V147 C148	N83-Y103 HydrophobicContact CB-CD2 4.06Å; Y103-Q105 PolarHBondContact O-N 3.24Å; Y103-Q106 PolarHBondContact N-O 3.31Å; Y103-Q106 PolarHBondContact O-N 2.92Å; Y103-V147 HydrophobicContact CD1-CG2 3.37Å; Y103-V147 HydrophobicContact CE1-CG2 3.97Å; Y103-V147 HydrophobicContact CG-CG1 4.3Å; Y103-V147 HydrophobicContact CG-CG2 3.78Å; Y103-C148 HydrophobicContact CD2-CB 3.61Å; Y103-C148 VanDerWaalsContact CD2-SG 3.57Å; Y103-C148 HydrophobicContact CE2-CB 3.83Å; Y103-C148 HydrophobicContact CG-CB 4.38Å
104	N	88.9	Confident	91.6	Very high	98 Å²	98	54.8 Å²	54.8	52%	0.524	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	44.6	-175.9	-66.9	-6.9	0	0	0	112.7	N83 Q106	N83-N104 PolarHBondContact ND2-OD1 3.18Å; N83-N104 PolarHBondContact OD1-N 2.9Å; N104-Q106 PolarHBondContact O-N 3.39Å
105	Q	84.8	Confident	91.6	Very high	158 Å²	158	52.8 Å²	52.8	74%	0.738	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.4	-1	-175.4	-53.5	-178.9	54.4	0	0	115.9	Y103	Y103-Q105 PolarHBondContact O-N 3.24Å
106	Q	91.5	Very high	91	Very high	121 Å²	121	53.7 Å²	53.7	57%	0.565	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	152	171.2	-60.9	-172.6	8.7	0	0	110.7	I102 Y103 N104 Y108	I102-Q106 WeakPolarHBondContact CA-O 3.26Å; I102-Q106 WeakPolarHBondContact CG1-O 3.3Å; Y103-Q106 PolarHBondContact N-O 3.31Å; Y103-Q106 PolarHBondContact O-N 2.92Å; N104-Q106 PolarHBondContact O-N 3.39Å; Q106-Y108 HydrophobicContact CB-CE2 3.74Å; Q106-Y108 PolarHBondContact OE1-OH 3.28Å; Q106-Y108 VanDerWaalsContact OE1-OH 3.04Å
107	L	92.8	Very high	90	Very high	31 Å²	31	53 Å²	53	16%	0.162	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	133.2	178.6	-62.5	105.4	0	0	0	111.1	E74 L77 K78 I102	E74-L107 HydrophobicContact CB-CD2 4.4Å; E74-L107 HydrophobicContact CG-CD1 4.46Å; E74-L107 HydrophobicContact CG-CD2 4.21Å; L77-L107 HydrophobicContact CB-CD2 3.41Å; L77-L107 VanDerWaalsContact CB-CD2 3.41Å; L77-L107 HydrophobicContact CD1-CD2 3.79Å; L77-L107 HydrophobicContact CG-CD2 4.24Å; K78-L107 HydrophobicContact CD-CD1 4.27Å; K78-L107 VanDerWaalsContact CE-CD1 3.47Å; K78-L107 HydrophobicContact CG-CD1 4Å; I102-L107 HydrophobicContact CG1-CG 4.3Å
108	Y	93.7	Very high	89	Confident	65 Å²	65	52.5 Å²	52.5	26%	0.255	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	124.2	-178.1	-57.9	-94.8	0	0	0	108.4	S100 V101 Q106 V147	S100-Y108 WeakPolarHBondContact CA-O 3.35Å; V101-Y108 PolarHBondContact N-O 3.45Å; V101-Y108 PolarHBondContact O-N 2.87Å; Q106-Y108 HydrophobicContact CB-CE2 3.74Å; Q106-Y108 PolarHBondContact OE1-OH 3.28Å; Q106-Y108 VanDerWaalsContact OE1-OH 3.04Å; Y108-V147 HydrophobicContact CD1-CB 4.39Å; Y108-V147 HydrophobicContact CD2-CB 4.19Å; Y108-V147 HydrophobicContact CD2-CG1 3.69Å; Y108-V147 HydrophobicContact CD2-CG2 4.2Å; Y108-V147 HydrophobicContact CE1-CB 4.49Å; Y108-V147 HydrophobicContact CE1-CG2 4.19Å; Y108-V147 HydrophobicContact CE2-CB 4.28Å; Y108-V147 HydrophobicContact CE2-CG1 4.11Å; Y108-V147 HydrophobicContact CE2-CG2 3.79Å; Y108-V147 HydrophobicContact CG-CB 4.24Å; Y108-V147 HydrophobicContact CG-CG1 3.97Å
109	H	94.2	Very high	88.4	Confident	43 Å²	43	53.7 Å²	53.7	20%	0.199	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	108.1	-179.9	-59.2	-73.4	0	0	0	108.9	E74 V98 S100	E74-H109 IonicContact OE1-NE2 3.06Å; V98-H109 HydrophobicContact CG1-CB 3.92Å; S100-H109 WeakPolarHBondContact CB-ND1 3.28Å; S100-H109 PolarHBondContact OG-ND1 2.82Å
110	Y	94.1	Very high	88	Confident	45 Å²	45	54 Å²	54	18%	0.176	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	113.9	179.1	-58.2	-83.7	0	0	0	109.4	V98 L99 V101 V122 I146 V147	V98-Y110 CarbonylContact C-O 3.57Å; V98-Y110 WeakPolarHBondContact CA-O 3.15Å; L99-Y110 PolarHBondContact N-O 3.26Å; L99-Y110 PolarHBondContact O-N 3.44Å; V101-Y110 HydrophobicContact CG1-CD2 4.29Å; V101-Y110 HydrophobicContact CG1-CE2 3.8Å; Y110-V122 HydrophobicContact CD1-CG1 4.47Å; Y110-V122 HydrophobicContact CG-CG1 4.26Å; Y110-I146 HydrophobicContact CD1-CG2 4.08Å; Y110-I146 HydrophobicContact CD2-CG2 4.07Å; Y110-I146 HydrophobicContact CE1-CB 4.35Å; Y110-I146 HydrophobicContact CE1-CG2 3.89Å; Y110-I146 HydrophobicContact CE2-CB 3.91Å; Y110-I146 HydrophobicContact CE2-CG2 3.87Å; Y110-I146 HydrophobicContact CG-CG2 4.16Å; Y110-V147 PolarHBondContact OH-N 3Å
111	P	94.9	Very high	87.7	Confident	52 Å²	52	56.2 Å²	56.2	34%	0.338	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	142.8	169.1	-20.8	33	0	0	0	110.6	N123	P111-N123 HydrophobicContact CB-CB 4.31Å; P111-N123 PolarHBondContact O-N 3.11Å; P111-N123 PolarHBondContact O-OD1 2.93Å; P111-N123 VanDerWaalsContact O-OD1 3.08Å
112	I	94.3	Very high	87.5	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	122.7	170.4	-44.3	171.9	0	0	0	106.4	I88 Y97 L99 Y120 Q121 V122 I132 L135	I88-I112 HydrophobicContact CD1-CD1 4.08Å; I88-I112 HydrophobicContact CG2-CD1 4.11Å; Y97-I112 PolarHBondContact O-N 3.02Å; L99-I112 HydrophobicContact CB-CD1 4.12Å; L99-I112 HydrophobicContact CB-CG1 4.31Å; I112-Y120 HydrophobicContact CG2-CD1 4.29Å; I112-Q121 WeakPolarHBondContact CA-O 3.24Å; I112-V122 HydrophobicContact CG1-CG2 4.46Å; I112-I132 HydrophobicContact CD1-CD1 4.28Å; I112-I132 HydrophobicContact CD1-CG2 4.15Å; I112-I132 HydrophobicContact CG2-CD1 4.49Å; I112-L135 HydrophobicContact CD1-CD1 4.34Å; I112-L135 HydrophobicContact CG2-CD1 3.7Å
113	E	88.4	Confident	87	Confident	65 Å²	65	59.2 Å²	59.2	30%	0.304	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	132.1	-180	-161	142	169.9	0	0	109.9	K96 L115 Y120 Q121 N123	K96-E113 IonicContact NZ-OE1 3.74Å; K96-E113 PolarHBondContact NZ-OE1 3.42Å; K96-E113 VanDerWaalsContact NZ-OE1 3.12Å; K96-E113 IonicContact NZ-OE2 3.97Å; K96-E113 PolarHBondContact NZ-OE2 3.09Å; E113-L115 HydrophobicContact CG-CD2 4.28Å; E113-Y120 WeakPolarHBondContact O-CA 3.29Å; E113-Q121 PolarHBondContact N-O 3.42Å; E113-Q121 PolarHBondContact O-N 2.8Å; E113-N123 PolarHBondContact OE2-ND2 2.79Å
114	E	87.4	Confident	86.3	Confident	111 Å²	111	59.6 Å²	59.6	52%	0.519	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	119.4	166.9	-168.1	172.2	136.1	0	0	107.5	Y120	E114-Y120 HydrophobicContact CB-CD1 4.03Å; E114-Y120 HydrophobicContact CB-CE1 3.67Å; E114-Y120 VanDerWaalsContact CD-OH 3.28Å; E114-Y120 HydrophobicContact CG-CD1 4.2Å; E114-Y120 HydrophobicContact CG-CE1 3.57Å; E114-Y120 WeakPolarHBondContact OE2-CE1 3.19Å; E114-Y120 PolarHBondContact OE2-OH 2.77Å
115	L	82.7	Confident	85.8	Confident	35 Å²	35	55.5 Å²	55.5	18%	0.183	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-89.8	160.3	-173.6	-59	176.3	0	0	0	111.2	E113 D117 G118 F119 Q121 K128	E113-L115 HydrophobicContact CG-CD2 4.28Å; L115-D117 WeakPolarHBondContact CB-OD1 3.46Å; L115-D117 PolarHBondContact O-N 2.77Å; L115-G118 WeakPolarHBondContact O-CA 3.47Å; L115-G118 PolarHBondContact O-N 3.08Å; L115-F119 VanDerWaalsContact CB-O 3.3Å; L115-F119 WeakPolarHBondContact CB-O 3.18Å; L115-F119 HydrophobicContact CD1-CB 4.33Å; L115-F119 WeakPolarHBondContact CG-O 3.22Å; L115-F119 PolarHBondContact N-O 2.99Å; L115-Q121 HydrophobicContact CD1-CB 4.01Å; L115-Q121 HydrophobicContact CG-CB 4.34Å; L115-K128 HydrophobicContact CD1-CD 3.67Å; L115-K128 HydrophobicContact CD1-CG 3.89Å
116	S	71.8	Confident	85.3	Confident	134 Å²	134	55 Å²	55	94%	0.937	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-15.7	-178.7	53.3	0	0	0	0	115	G118	S116-G118 VanDerWaalsContact C-N 3.32Å
117	D	69.4	Low	84.5	Confident	51 Å²	51	50.9 Å²	50.9	27%	0.273	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-14	167.1	49	30.2	0	0	0	112.6	L115 F119 K128 P276	L115-D117 WeakPolarHBondContact CB-OD1 3.46Å; L115-D117 PolarHBondContact O-N 2.77Å; D117-F119 HydrophobicContact CB-CD2 4.18Å; D117-F119 WeakPolarHBondContact OD1-CD2 3.5Å; D117-F119 PolarHBondContact OD1-N 3.43Å; D117-F119 VanDerWaalsContact OD1-N 3.14Å; D117-K128 IonicContact OD2-NZ 2.66Å; D117-K128 PolarHBondContact OD2-NZ 3.08Å; D117-P276 WeakPolarHBondContact O-CB 3.38Å; D117-P276 WeakPolarHBondContact O-CG 3.41Å
118	G	74.4	Confident	83.9	Confident	10 Å²	10	52.9 Å²	52.9	10%	0.103	30%	0.302	C	S	.	.	S	Bend	trans	90.3	15.1	-179.9	0	0	0	0	0	114.8	L115 S116	L115-G118 WeakPolarHBondContact O-CA 3.47Å; L115-G118 PolarHBondContact O-N 3.08Å; S116-G118 VanDerWaalsContact C-N 3.32Å
119	F	83.4	Confident	83.4	Confident	31 Å²	31	51 Å²	51	14%	0.136	29%	0.294	C	S	.	.			trans	-89	156.5	165.6	-68.8	-97.4	0	0	0	111.4	L115 D117 K128 Y129 L130 P276 F277	L115-F119 VanDerWaalsContact CB-O 3.3Å; L115-F119 WeakPolarHBondContact CB-O 3.18Å; L115-F119 HydrophobicContact CD1-CB 4.33Å; L115-F119 WeakPolarHBondContact CG-O 3.22Å; L115-F119 PolarHBondContact N-O 2.99Å; D117-F119 HydrophobicContact CB-CD2 4.18Å; D117-F119 WeakPolarHBondContact OD1-CD2 3.5Å; D117-F119 PolarHBondContact OD1-N 3.43Å; D117-F119 VanDerWaalsContact OD1-N 3.14Å; F119-K128 HydrophobicContact CB-CB 3.87Å; F119-K128 HydrophobicContact CB-CD 4.17Å; F119-K128 HydrophobicContact CB-CG 4.35Å; F119-K128 HydrophobicContact CD1-CB 3.96Å; F119-K128 HydrophobicContact CG-CB 4.03Å; F119-K128 HydrophobicContact CG-CD 4.34Å; F119-Y129 CarbonylContact C-O 3.58Å; F119-Y129 WeakPolarHBondContact CA-O 3.41Å; F119-L130 HydrophobicContact CD1-CB 4.44Å; F119-L130 HydrophobicContact CE1-CB 4.39Å; F119-P276 HydrophobicContact CD2-CB 3.94Å; F119-P276 HydrophobicContact CE2-CB 3.41Å; F119-P276 VanDerWaalsContact CE2-CB 3.41Å; F119-P276 WeakPolarHBondContact CE2-O 3.08Å; F119-P276 HydrophobicContact CZ-CB 3.9Å; F119-F277 HydrophobicContact CE1-CE1 4.17Å; F119-F277 HydrophobicContact CZ-CD1 4.03Å; F119-F277 AromaticContact CZ-CE1 3.87Å; F119-F277 HydrophobicContact CZ-CE1 3.87Å
120	Y	86.3	Confident	82.7	Confident	8 Å²	8	50.2 Å²	50.2	3%	0.031	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	138.7	169.7	-65	-81.5	0	0	0	111.1	Y97 I112 E113 E114 Y129 I132 H162	Y97-Y120 HydrophobicContact CD2-CE1 4.16Å; Y97-Y120 HydrophobicContact CE2-CE1 4.05Å; I112-Y120 HydrophobicContact CG2-CD1 4.29Å; E113-Y120 WeakPolarHBondContact O-CA 3.29Å; E114-Y120 HydrophobicContact CB-CD1 4.03Å; E114-Y120 HydrophobicContact CB-CE1 3.67Å; E114-Y120 VanDerWaalsContact CD-OH 3.28Å; E114-Y120 HydrophobicContact CG-CD1 4.2Å; E114-Y120 HydrophobicContact CG-CE1 3.57Å; E114-Y120 WeakPolarHBondContact OE2-CE1 3.19Å; E114-Y120 PolarHBondContact OE2-OH 2.77Å; Y120-Y129 PolarHBondContact N-O 2.94Å; Y120-Y129 PolarHBondContact O-N 2.66Å; Y120-I132 HydrophobicContact CD1-CD1 3.85Å; Y120-I132 HydrophobicContact CD1-CG1 3.79Å; Y120-I132 HydrophobicContact CD2-CG1 3.95Å; Y120-I132 HydrophobicContact CE1-CD1 3.99Å; Y120-I132 HydrophobicContact CE1-CG1 4.18Å; Y120-I132 HydrophobicContact CE2-CG1 4.32Å; Y120-I132 HydrophobicContact CG-CD1 4.27Å; Y120-I132 HydrophobicContact CG-CG1 3.67Å; Y120-H162 PolarHBondContact OH-O 2.97Å
121	Q	88.4	Confident	82.3	Confident	46 Å²	46	48.1 Å²	48.1	22%	0.215	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	134.5	179.4	179.5	171.9	6.1	0	0	110.2	I112 E113 L115 T125	I112-Q121 WeakPolarHBondContact CA-O 3.24Å; E113-Q121 PolarHBondContact N-O 3.42Å; E113-Q121 PolarHBondContact O-N 2.8Å; L115-Q121 HydrophobicContact CD1-CB 4.01Å; L115-Q121 HydrophobicContact CG-CB 4.34Å; Q121-T125 PolarHBondContact NE2-O 2.67Å
122	V	89.9	Confident	82.2	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	126.9	173	-174	0	0	0	0	109	Y110 I112 G124 T125 L135 F139	Y110-V122 HydrophobicContact CD1-CG1 4.47Å; Y110-V122 HydrophobicContact CG-CG1 4.26Å; I112-V122 HydrophobicContact CG1-CG2 4.46Å; V122-G124 PolarHBondContact O-N 3.31Å; V122-T125 HydrophobicContact CB-CG2 3.99Å; V122-T125 HydrophobicContact CG1-CG2 4.34Å; V122-T125 WeakPolarHBondContact O-CB 3.43Å; V122-T125 PolarHBondContact O-N 2.85Å; V122-T125 PolarHBondContact O-OG1 3.1Å; V122-L135 HydrophobicContact CG2-CD1 3.7Å; V122-L135 HydrophobicContact CG2-CD2 3.75Å; V122-L135 HydrophobicContact CG2-CG 3.99Å; V122-F139 HydrophobicContact CB-CE2 4.26Å; V122-F139 HydrophobicContact CB-CZ 4.08Å; V122-F139 HydrophobicContact CG1-CE2 4.48Å; V122-F139 HydrophobicContact CG2-CE1 4.42Å; V122-F139 HydrophobicContact CG2-CE2 3.65Å; V122-F139 HydrophobicContact CG2-CZ 3.51Å
123	N	84.9	Confident	82	Confident	65 Å²	65	46.8 Å²	46.8	35%	0.348	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	123.1	-178.2	-70.2	61.1	0	0	0	110.6	P111 E113	P111-N123 HydrophobicContact CB-CB 4.31Å; P111-N123 PolarHBondContact O-N 3.11Å; P111-N123 PolarHBondContact O-OD1 2.93Å; P111-N123 VanDerWaalsContact O-OD1 3.08Å; E113-N123 PolarHBondContact OE2-ND2 2.79Å
124	G	75.3	Confident	81.9	Confident	81 Å²	81	46.7 Å²	46.7	84%	0.835	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.9	-4.9	-173.6	0	0	0	0	0	115.1	V122	V122-G124 PolarHBondContact O-N 3.31Å
125	T	78.7	Confident	81.9	Confident	13 Å²	13	41.4 Å²	41.4	8%	0.08	25%	0.25	C	C	.	.			trans	-108.6	154.2	172.4	72.8	0	0	0	0	111	Q121 V122 F139	Q121-T125 PolarHBondContact NE2-O 2.67Å; V122-T125 HydrophobicContact CB-CG2 3.99Å; V122-T125 HydrophobicContact CG1-CG2 4.34Å; V122-T125 WeakPolarHBondContact O-CB 3.43Å; V122-T125 PolarHBondContact O-N 2.85Å; V122-T125 PolarHBondContact O-OG1 3.1Å; T125-F139 HydrophobicContact CG2-CZ 4.21Å
126	N	74.3	Confident	82.2	Confident	146 Å²	146	39.9 Å²	39.9	78%	0.781	24%	0.242	S	C	*	.			trans	-94.4	-4.8	179.6	-68.9	-13.1	0	0	0	114
127	A	74.4	Confident	82.9	Confident	36 Å²	36	36.7 Å²	36.7	30%	0.298	22%	0.219	S	C	.	.			trans	-89.4	138.2	-174.2	0	0	0	0	0	111.9	Y129	A127-Y129 HydrophobicContact CB-CE2 3.61Å; A127-Y129 WeakPolarHBondContact CB-OH 3.31Å
128	K	81.8	Confident	83.4	Confident	73 Å²	73	36.6 Å²	36.6	32%	0.317	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	141	176.6	-68.5	-170.7	-179.5	-168.5	0	110.3	L115 D117 F119	L115-K128 HydrophobicContact CD1-CD 3.67Å; L115-K128 HydrophobicContact CD1-CG 3.89Å; D117-K128 IonicContact OD2-NZ 2.66Å; D117-K128 PolarHBondContact OD2-NZ 3.08Å; F119-K128 HydrophobicContact CB-CB 3.87Å; F119-K128 HydrophobicContact CB-CD 4.17Å; F119-K128 HydrophobicContact CB-CG 4.35Å; F119-K128 HydrophobicContact CD1-CB 3.96Å; F119-K128 HydrophobicContact CG-CB 4.03Å; F119-K128 HydrophobicContact CG-CD 4.34Å
129	Y	82.9	Confident	84.1	Confident	24 Å²	24	36.1 Å²	36.1	9%	0.094	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	132.6	-176.9	-60	-86.3	0	0	0	110.7	F119 Y120 A127 G131 L134 L135 E138 F139	F119-Y129 CarbonylContact C-O 3.58Å; F119-Y129 WeakPolarHBondContact CA-O 3.41Å; Y120-Y129 PolarHBondContact N-O 2.94Å; Y120-Y129 PolarHBondContact O-N 2.66Å; A127-Y129 HydrophobicContact CB-CE2 3.61Å; A127-Y129 WeakPolarHBondContact CB-OH 3.31Å; Y129-G131 PolarHBondContact O-N 3.41Å; Y129-L134 HydrophobicContact CD1-CB 4.32Å; Y129-L135 HydrophobicContact CD1-CB 4.31Å; Y129-L135 HydrophobicContact CD2-CB 3.86Å; Y129-L135 HydrophobicContact CD2-CD1 4.16Å; Y129-L135 HydrophobicContact CD2-CG 3.75Å; Y129-L135 HydrophobicContact CE2-CB 4.5Å; Y129-L135 HydrophobicContact CE2-CG 4.14Å; Y129-L135 HydrophobicContact CG-CB 3.76Å; Y129-L135 HydrophobicContact CG-CG 4.2Å; Y129-E138 HydrophobicContact CE1-CB 3.75Å; Y129-E138 HydrophobicContact CE1-CG 3.98Å; Y129-F139 AromaticContact CE2-CE1 3.75Å; Y129-F139 HydrophobicContact CE2-CE1 3.75Å; Y129-F139 AromaticContact CZ-CE1 3.83Å; Y129-F139 WeakPolarHBondContact OH-CE1 3.27Å
130	L	78.9	Confident	84.3	Confident	28 Å²	28	39.1 Å²	39.1	15%	0.147	22%	0.223	C	C	.	.	S	Bend	trans	-64.1	-22.8	-178.3	-180	66.5	0	0	0	112.7	F119 V165 P276 F277	F119-L130 HydrophobicContact CD1-CB 4.44Å; F119-L130 HydrophobicContact CE1-CB 4.39Å; L130-V165 HydrophobicContact CB-CG2 3.76Å; L130-V165 HydrophobicContact CD2-CG1 4.05Å; L130-V165 HydrophobicContact CD2-CG2 3.96Å; L130-V165 HydrophobicContact CG-CG2 3.8Å; L130-P276 HydrophobicContact CD1-CB 4.21Å; L130-P276 HydrophobicContact CD1-CG 3.8Å; L130-F277 HydrophobicContact CD2-CE2 4.11Å; L130-F277 HydrophobicContact CD2-CZ 3.94Å
131	G	85.3	Confident	83.8	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	-149.7	159.7	174.8	0	0	0	0	0	111.4	Y129 D133 L134 L135 I163	Y129-G131 PolarHBondContact O-N 3.41Å; G131-D133 WeakPolarHBondContact CA-OD1 3.29Å; G131-D133 PolarHBondContact O-N 3.2Å; G131-L134 PolarHBondContact O-N 2.81Å; G131-L135 PolarHBondContact O-N 2.74Å; G131-I163 CarbonylContact C-O 3.56Å
132	I	92.8	Very high	82.8	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-70.6	-22.9	179.4	-59	-175	0	0	0	110.9	W63 I88 Y97 I112 Y120 L135 V136 I163	W63-I132 HydrophobicContact CH2-CB 3.95Å; W63-I132 HydrophobicContact CH2-CG2 3.56Å; W63-I132 HydrophobicContact CZ2-CG2 4.45Å; W63-I132 HydrophobicContact CZ3-CG2 3.82Å; I88-I132 HydrophobicContact CD1-CG2 3.38Å; I88-I132 HydrophobicContact CG2-CG2 4.46Å; Y97-I132 HydrophobicContact CD1-CD1 4.33Å; Y97-I132 HydrophobicContact CD2-CD1 3.81Å; Y97-I132 HydrophobicContact CE2-CD1 4.39Å; Y97-I132 HydrophobicContact CG-CD1 3.79Å; I112-I132 HydrophobicContact CD1-CD1 4.28Å; I112-I132 HydrophobicContact CD1-CG2 4.15Å; I112-I132 HydrophobicContact CG2-CD1 4.49Å; Y120-I132 HydrophobicContact CD1-CD1 3.85Å; Y120-I132 HydrophobicContact CD1-CG1 3.79Å; Y120-I132 HydrophobicContact CD2-CG1 3.95Å; Y120-I132 HydrophobicContact CE1-CD1 3.99Å; Y120-I132 HydrophobicContact CE1-CG1 4.18Å; Y120-I132 HydrophobicContact CE2-CG1 4.32Å; Y120-I132 HydrophobicContact CG-CD1 4.27Å; Y120-I132 HydrophobicContact CG-CG1 3.67Å; I132-L135 WeakPolarHBondContact O-CB 3.42Å; I132-L135 PolarHBondContact O-N 3.01Å; I132-V136 HydrophobicContact CG2-CG2 4.42Å; I132-V136 WeakPolarHBondContact O-CB 3.45Å; I132-V136 VanDerWaalsContact O-CG2 3.29Å; I132-V136 WeakPolarHBondContact O-CG2 3.33Å; I132-V136 PolarHBondContact O-N 2.73Å; I132-I163 HydrophobicContact CB-CB 4.41Å; I132-I163 HydrophobicContact CB-CD1 4.5Å; I132-I163 HydrophobicContact CD1-CB 4.06Å; I132-I163 HydrophobicContact CD1-CD1 4.27Å; I132-I163 HydrophobicContact CD1-CG2 4.26Å; I132-I163 HydrophobicContact CG1-CB 4.23Å; I132-I163 PolarHBondContact N-O 3.4Å
133	D	90.2	Very high	81.5	Confident	26 Å²	26	51.1 Å²	51.1	14%	0.139	28%	0.281	C	S	.	.	H	α-helix	trans	-61.2	-44.5	168.3	61.6	-28.8	0	0	0	112.9	W63 G131 V136 S137 T164 V165 Y166	W63-D133 HydrophobicContact CZ2-CB 4.28Å; G131-D133 WeakPolarHBondContact CA-OD1 3.29Å; G131-D133 PolarHBondContact O-N 3.2Å; D133-V136 PolarHBondContact O-N 2.72Å; D133-S137 WeakPolarHBondContact O-CB 3.3Å; D133-S137 PolarHBondContact O-N 3.09Å; D133-T164 HydrophobicContact CB-CG2 4.15Å; D133-T164 WeakPolarHBondContact OD1-CA 3.16Å; D133-V165 PolarHBondContact OD1-N 2.76Å; D133-V165 PolarHBondContact OD2-N 3.35Å; D133-Y166 PolarHBondContact OD2-N 2.73Å
134	L	86.2	Confident	80.5	Confident	62 Å²	62	49.6 Å²	49.6	33%	0.325	27%	0.272	S	S	.	.	H	α-helix	trans	-69.2	-38.8	175.6	-63	-170.7	0	0	0	112.1	Y129 G131 S137 E138 V165 Y166	Y129-L134 HydrophobicContact CD1-CB 4.32Å; G131-L134 PolarHBondContact O-N 2.81Å; L134-S137 PolarHBondContact O-N 3.31Å; L134-E138 WeakPolarHBondContact O-CB 3.12Å; L134-E138 PolarHBondContact O-N 3.25Å; L134-V165 HydrophobicContact CD1-CB 4.21Å; L134-V165 HydrophobicContact CD1-CG2 3.57Å; L134-V165 HydrophobicContact CG-CB 4.21Å; L134-V165 HydrophobicContact CG-CG2 3.75Å; L134-Y166 HydrophobicContact CD2-CD2 4.25Å; L134-Y166 HydrophobicContact CD2-CE2 4.12Å
135	L	87.3	Confident	80.1	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-56.8	-52.7	172.9	-170.2	168.1	0	0	0	110.3	I112 V122 Y129 G131 I132 S137 E138 F139	I112-L135 HydrophobicContact CD1-CD1 4.34Å; I112-L135 HydrophobicContact CG2-CD1 3.7Å; V122-L135 HydrophobicContact CG2-CD1 3.7Å; V122-L135 HydrophobicContact CG2-CD2 3.75Å; V122-L135 HydrophobicContact CG2-CG 3.99Å; Y129-L135 HydrophobicContact CD1-CB 4.31Å; Y129-L135 HydrophobicContact CD2-CB 3.86Å; Y129-L135 HydrophobicContact CD2-CD1 4.16Å; Y129-L135 HydrophobicContact CD2-CG 3.75Å; Y129-L135 HydrophobicContact CE2-CB 4.5Å; Y129-L135 HydrophobicContact CE2-CG 4.14Å; Y129-L135 HydrophobicContact CG-CB 3.76Å; Y129-L135 HydrophobicContact CG-CG 4.2Å; G131-L135 PolarHBondContact O-N 2.74Å; I132-L135 WeakPolarHBondContact O-CB 3.42Å; I132-L135 PolarHBondContact O-N 3.01Å; L135-S137 PolarHBondContact O-N 2.73Å; L135-E138 PolarHBondContact O-N 2.66Å; L135-F139 HydrophobicContact CD2-CD1 4.01Å; L135-F139 HydrophobicContact CD2-CD2 4.13Å; L135-F139 HydrophobicContact CD2-CE1 4.14Å; L135-F139 HydrophobicContact CD2-CE2 4.25Å; L135-F139 HydrophobicContact CD2-CG 4.04Å; L135-F139 HydrophobicContact CD2-CZ 4.26Å; L135-F139 HydrophobicContact CG-CD1 4.42Å; L135-F139 HydrophobicContact CG-CE1 4.29Å; L135-F139 VanDerWaalsContact O-CB 3.25Å; L135-F139 WeakPolarHBondContact O-CB 3.39Å; L135-F139 WeakPolarHBondContact O-CD1 3.36Å; L135-F139 WeakPolarHBondContact O-CG 3.37Å; L135-F139 PolarHBondContact O-N 3.4Å
136	V	90.4	Very high	80.2	Confident	4 Å²	4	51.3 Å²	51.3	2%	0.024	27%	0.269	C	S	.	.	H	α-helix	trans	-59	-47	175.6	167.6	0	0	0	0	110.9	W63 F86 I88 I132 D133 E138 F139 R140	W63-V136 HydrophobicContact CD2-CG2 4.35Å; W63-V136 HydrophobicContact CZ2-CG2 4.44Å; F86-V136 HydrophobicContact CE2-CG1 3.87Å; F86-V136 HydrophobicContact CE2-CG2 4.12Å; F86-V136 HydrophobicContact CZ-CG1 3.69Å; I88-V136 HydrophobicContact CD1-CG2 3.43Å; I88-V136 VanDerWaalsContact CD1-CG2 3.43Å; I132-V136 HydrophobicContact CG2-CG2 4.42Å; I132-V136 WeakPolarHBondContact O-CB 3.45Å; I132-V136 VanDerWaalsContact O-CG2 3.29Å; I132-V136 WeakPolarHBondContact O-CG2 3.33Å; I132-V136 PolarHBondContact O-N 2.73Å; D133-V136 PolarHBondContact O-N 2.72Å; V136-E138 PolarHBondContact O-N 2.87Å; V136-F139 PolarHBondContact O-N 3.27Å; V136-R140 HydrophobicContact CG1-CG 4.4Å; V136-R140 VanDerWaalsContact O-CG 3.23Å; V136-R140 WeakPolarHBondContact O-CG 3.49Å; V136-R140 PolarHBondContact O-N 2.77Å
137	S	85.5	Confident	80.8	Confident	66 Å²	66	46.2 Å²	46.2	46%	0.462	24%	0.244	S	C	.	.	H	α-helix	trans	-56.8	-48.5	179.9	-172.1	0	0	0	0	112.1	D133 L134 L135 R140 R141	D133-S137 WeakPolarHBondContact O-CB 3.3Å; D133-S137 PolarHBondContact O-N 3.09Å; L134-S137 PolarHBondContact O-N 3.31Å; L135-S137 PolarHBondContact O-N 2.73Å; S137-R140 PolarHBondContact O-N 3.05Å; S137-R141 PolarHBondContact O-N 2.95Å
138	E	80.8	Confident	81.3	Confident	50 Å²	50	45.3 Å²	45.3	23%	0.234	24%	0.235	C	C	.	.	H	α-helix	trans	-72.4	-33.7	-178.8	-172.7	61.1	-176.6	0	0	112.3	Y129 L134 L135 V136 R140 R141 A142 N144	Y129-E138 HydrophobicContact CE1-CB 3.75Å; Y129-E138 HydrophobicContact CE1-CG 3.98Å; L134-E138 WeakPolarHBondContact O-CB 3.12Å; L134-E138 PolarHBondContact O-N 3.25Å; L135-E138 PolarHBondContact O-N 2.66Å; V136-E138 PolarHBondContact O-N 2.87Å; E138-R140 VanDerWaalsContact C-N 3.27Å; E138-R140 PolarHBondContact O-N 3.5Å; E138-R141 VanDerWaalsContact CD-NH2 3.33Å; E138-R141 PolarHBondContact O-N 3.33Å; E138-R141 VanDerWaalsContact O-N 3.12Å; E138-R141 IonicContact OE1-CZ 3.3Å; E138-R141 IonicContact OE1-NE 3.8Å; E138-R141 IonicContact OE1-NH2 3.05Å; E138-R141 PolarHBondContact OE1-NH2 2.85Å; E138-R141 IonicContact OE2-CZ 2.76Å; E138-R141 IonicContact OE2-NE 2.66Å; E138-R141 PolarHBondContact OE2-NE 2.86Å; E138-R141 IonicContact OE2-NH2 2.69Å; E138-R141 PolarHBondContact OE2-NH2 3.02Å; E138-A142 PolarHBondContact O-N 3.2Å; E138-N144 VanDerWaalsContact C-ND2 3.28Å; E138-N144 PolarHBondContact O-ND2 2.9Å
139	F	88	Confident	81.6	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-73	-16.1	175.6	-81.1	46.9	0	0	0	113.4	L99 V122 T125 Y129 L135 V136 N144 I146 S149 L150	L99-F139 HydrophobicContact CD2-CD2 3.98Å; L99-F139 HydrophobicContact CD2-CE2 4.31Å; V122-F139 HydrophobicContact CB-CE2 4.26Å; V122-F139 HydrophobicContact CB-CZ 4.08Å; V122-F139 HydrophobicContact CG1-CE2 4.48Å; V122-F139 HydrophobicContact CG2-CE1 4.42Å; V122-F139 HydrophobicContact CG2-CE2 3.65Å; V122-F139 HydrophobicContact CG2-CZ 3.51Å; T125-F139 HydrophobicContact CG2-CZ 4.21Å; Y129-F139 AromaticContact CE2-CE1 3.75Å; Y129-F139 HydrophobicContact CE2-CE1 3.75Å; Y129-F139 AromaticContact CZ-CE1 3.83Å; Y129-F139 WeakPolarHBondContact OH-CE1 3.27Å; L135-F139 HydrophobicContact CD2-CD1 4.01Å; L135-F139 HydrophobicContact CD2-CD2 4.13Å; L135-F139 HydrophobicContact CD2-CE1 4.14Å; L135-F139 HydrophobicContact CD2-CE2 4.25Å; L135-F139 HydrophobicContact CD2-CG 4.04Å; L135-F139 HydrophobicContact CD2-CZ 4.26Å; L135-F139 HydrophobicContact CG-CD1 4.42Å; L135-F139 HydrophobicContact CG-CE1 4.29Å; L135-F139 VanDerWaalsContact O-CB 3.25Å; L135-F139 WeakPolarHBondContact O-CB 3.39Å; L135-F139 WeakPolarHBondContact O-CD1 3.36Å; L135-F139 WeakPolarHBondContact O-CG 3.37Å; L135-F139 PolarHBondContact O-N 3.4Å; V136-F139 PolarHBondContact O-N 3.27Å; F139-N144 WeakPolarHBondContact CA-ND2 3.33Å; F139-N144 HydrophobicContact CD1-CB 3.93Å; F139-N144 WeakPolarHBondContact CD1-ND2 3.2Å; F139-N144 HydrophobicContact CE1-CB 3.76Å; F139-N144 HydrophobicContact CE2-CB 4.39Å; F139-N144 HydrophobicContact CG-CB 4.3Å; F139-N144 HydrophobicContact CZ-CB 4Å; F139-N144 PolarHBondContact N-ND2 3.4Å; F139-I146 HydrophobicContact CD2-CD1 3.63Å; F139-I146 HydrophobicContact CD2-CG1 3.99Å; F139-I146 HydrophobicContact CD2-CG2 4.25Å; F139-I146 HydrophobicContact CE2-CD1 4.22Å; F139-I146 HydrophobicContact CE2-CG1 4.2Å; F139-I146 HydrophobicContact CE2-CG2 3.69Å; F139-S149 WeakPolarHBondContact O-CA 3.39Å; F139-L150 HydrophobicContact CB-CD1 3.59Å; F139-L150 HydrophobicContact CB-CG 3.93Å; F139-L150 PolarHBondContact O-N 3.41Å
140	R	87.9	Confident	82	Confident	93 Å²	93	43.2 Å²	43.2	35%	0.351	23%	0.233	S	C	.	.	H	α-helix	trans	-82.3	-29.4	166.2	-65.4	175.3	88.3	-174.8	4.6	112.1	V136 S137 E138 L150 G151	V136-R140 HydrophobicContact CG1-CG 4.4Å; V136-R140 VanDerWaalsContact O-CG 3.23Å; V136-R140 WeakPolarHBondContact O-CG 3.49Å; V136-R140 PolarHBondContact O-N 2.77Å; S137-R140 PolarHBondContact O-N 3.05Å; E138-R140 VanDerWaalsContact C-N 3.27Å; E138-R140 PolarHBondContact O-N 3.5Å; R140-L150 HydrophobicContact CG-CB 3.62Å; R140-L150 WeakPolarHBondContact CG-O 3.39Å; R140-G151 PolarHBondContact NE-O 3.48Å; R140-G151 VanDerWaalsContact NE-O 3.14Å; R140-G151 PolarHBondContact NH2-O 2.72Å
141	R	75.8	Confident	82.5	Confident	163 Å²	163	43.3 Å²	43.3	62%	0.615	24%	0.24	S	C	*	.	H	α-helix	trans	-88.7	-31.5	-173.6	-162.2	-171.4	70	76.7	4.5	113.9	S137 E138	S137-R141 PolarHBondContact O-N 2.95Å; E138-R141 VanDerWaalsContact CD-NH2 3.33Å; E138-R141 PolarHBondContact O-N 3.33Å; E138-R141 VanDerWaalsContact O-N 3.12Å; E138-R141 IonicContact OE1-CZ 3.3Å; E138-R141 IonicContact OE1-NE 3.8Å; E138-R141 IonicContact OE1-NH2 3.05Å; E138-R141 PolarHBondContact OE1-NH2 2.85Å; E138-R141 IonicContact OE2-CZ 2.76Å; E138-R141 IonicContact OE2-NE 2.66Å; E138-R141 PolarHBondContact OE2-NE 2.86Å; E138-R141 IonicContact OE2-NH2 2.69Å; E138-R141 PolarHBondContact OE2-NH2 3.02Å
142	A	67.5	Low	82.7	Confident	25 Å²	25	50 Å²	50	21%	0.207	27%	0.269	C	S	.	.	S	Bend	trans	-138.7	154.5	-171.7	0	0	0	0	0	112.6	E138 N144	E138-A142 PolarHBondContact O-N 3.2Å; A142-N144 VanDerWaalsContact C-N 3.33Å; A142-N144 WeakPolarHBondContact CB-OD1 3.33Å; A142-N144 PolarHBondContact O-N 2.91Å; A142-N144 PolarHBondContact O-ND2 2.96Å
143	N	63.8	Low	82.7	Confident	119 Å²	119	50.9 Å²	50.9	64%	0.636	28%	0.275	S	S	*	.			trans	-86	71.6	-172.9	-147.8	24.7	0	0	0	110.5	C145 S149	N143-C145 VanDerWaalsContact C-N 3.27Å; N143-C145 PolarHBondContact O-N 3.4Å; N143-S149 PolarHBondContact OD1-N 3.36Å
144	N	62.3	Low	82.9	Confident	32 Å²	32	49.9 Å²	49.9	17%	0.171	27%	0.27	C	S	.	.			trans	-82.5	53.5	-161.5	-60.8	-26.8	0	0	0	114.6	E138 F139 A142 I146	E138-N144 VanDerWaalsContact C-ND2 3.28Å; E138-N144 PolarHBondContact O-ND2 2.9Å; F139-N144 WeakPolarHBondContact CA-ND2 3.33Å; F139-N144 HydrophobicContact CD1-CB 3.93Å; F139-N144 WeakPolarHBondContact CD1-ND2 3.2Å; F139-N144 HydrophobicContact CE1-CB 3.76Å; F139-N144 HydrophobicContact CE2-CB 4.39Å; F139-N144 HydrophobicContact CG-CB 4.3Å; F139-N144 HydrophobicContact CZ-CB 4Å; F139-N144 PolarHBondContact N-ND2 3.4Å; A142-N144 VanDerWaalsContact C-N 3.33Å; A142-N144 WeakPolarHBondContact CB-OD1 3.33Å; A142-N144 PolarHBondContact O-N 2.91Å; A142-N144 PolarHBondContact O-ND2 2.96Å; N144-I146 PolarHBondContact O-N 3.24Å
145	C	68.6	Low	83	Confident	118 Å²	118	50.5 Å²	50.5	80%	0.797	28%	0.278	S	S	*	.	S	Bend	trans	59.2	5.8	179.4	-56.8	0	0	0	0	116.3	N143	N143-C145 VanDerWaalsContact C-N 3.27Å; N143-C145 PolarHBondContact O-N 3.4Å
146	I	79.6	Confident	83.1	Confident	12 Å²	12	51.9 Å²	51.9	6%	0.062	29%	0.292	C	S	.	.	S	Bend	trans	-85.9	169.2	161.8	60	156	0	0	0	110.7	L99 Y110 F139 N144 C148 L150	L99-I146 HydrophobicContact CD2-CD1 4.41Å; Y110-I146 HydrophobicContact CD1-CG2 4.08Å; Y110-I146 HydrophobicContact CD2-CG2 4.07Å; Y110-I146 HydrophobicContact CE1-CB 4.35Å; Y110-I146 HydrophobicContact CE1-CG2 3.89Å; Y110-I146 HydrophobicContact CE2-CB 3.91Å; Y110-I146 HydrophobicContact CE2-CG2 3.87Å; Y110-I146 HydrophobicContact CG-CG2 4.16Å; F139-I146 HydrophobicContact CD2-CD1 3.63Å; F139-I146 HydrophobicContact CD2-CG1 3.99Å; F139-I146 HydrophobicContact CD2-CG2 4.25Å; F139-I146 HydrophobicContact CE2-CD1 4.22Å; F139-I146 HydrophobicContact CE2-CG1 4.2Å; F139-I146 HydrophobicContact CE2-CG2 3.69Å; N144-I146 PolarHBondContact O-N 3.24Å; I146-C148 WeakPolarHBondContact CD1-O 3.42Å; I146-C148 WeakPolarHBondContact CG1-O 3.43Å; I146-C148 PolarHBondContact O-N 3.04Å; I146-C148 VanDerWaalsContact O-N 3.14Å; I146-L150 HydrophobicContact CD1-CD2 3.76Å; I146-L150 HydrophobicContact CD1-CG 4.1Å
147	V	86.2	Confident	83.1	Confident	40 Å²	40	57 Å²	57	24%	0.242	32%	0.319	C	S	.	.	S	Bend	trans	-56.8	-32.2	-171.1	69.3	0	0	0	0	114.7	V101 Y103 Y108 Y110	V101-V147 HydrophobicContact CG1-CG1 4Å; Y103-V147 HydrophobicContact CD1-CG2 3.37Å; Y103-V147 HydrophobicContact CE1-CG2 3.97Å; Y103-V147 HydrophobicContact CG-CG1 4.3Å; Y103-V147 HydrophobicContact CG-CG2 3.78Å; Y108-V147 HydrophobicContact CD1-CB 4.39Å; Y108-V147 HydrophobicContact CD2-CB 4.19Å; Y108-V147 HydrophobicContact CD2-CG1 3.69Å; Y108-V147 HydrophobicContact CD2-CG2 4.2Å; Y108-V147 HydrophobicContact CE1-CB 4.49Å; Y108-V147 HydrophobicContact CE1-CG2 4.19Å; Y108-V147 HydrophobicContact CE2-CB 4.28Å; Y108-V147 HydrophobicContact CE2-CG1 4.11Å; Y108-V147 HydrophobicContact CE2-CG2 3.79Å; Y108-V147 HydrophobicContact CG-CB 4.24Å; Y108-V147 HydrophobicContact CG-CG1 3.97Å; Y110-V147 PolarHBondContact OH-N 3Å
148	C	86	Confident	83.2	Confident	16 Å²	16	60.1 Å²	60.1	11%	0.108	32%	0.32	C	S	.	.	S	Bend	trans	-161.9	160.4	174	62.8	0	0	0	0	110.5	Y103 I146	Y103-C148 HydrophobicContact CD2-CB 3.61Å; Y103-C148 VanDerWaalsContact CD2-SG 3.57Å; Y103-C148 HydrophobicContact CE2-CB 3.83Å; Y103-C148 HydrophobicContact CG-CB 4.38Å; I146-C148 WeakPolarHBondContact CD1-O 3.42Å; I146-C148 WeakPolarHBondContact CG1-O 3.43Å; I146-C148 PolarHBondContact O-N 3.04Å; I146-C148 VanDerWaalsContact O-N 3.14Å
149	S	88.3	Confident	83.7	Confident	47 Å²	47	58.4 Å²	58.4	33%	0.329	31%	0.313	S	S	.	.			trans	-57.1	142.3	167.4	-53.8	0	0	0	0	111.5	F139 N143	F139-S149 WeakPolarHBondContact O-CA 3.39Å; N143-S149 PolarHBondContact OD1-N 3.36Å
150	L	90.5	Very high	83.8	Confident	7 Å²	7	59.9 Å²	59.9	4%	0.037	32%	0.323	C	S	.	.			trans	-72	134	-178.7	-60.3	-178.1	0	0	0	111.7	F86 L99 V101 F139 R140 I146	F86-L150 HydrophobicContact CB-CD2 3.89Å; F86-L150 HydrophobicContact CD1-CB 3.8Å; F86-L150 HydrophobicContact CD1-CD1 4.46Å; F86-L150 HydrophobicContact CD1-CD2 4.29Å; F86-L150 HydrophobicContact CD1-CG 4.4Å; F86-L150 HydrophobicContact CD2-CD1 4.05Å; F86-L150 HydrophobicContact CE1-CB 3.9Å; F86-L150 HydrophobicContact CE2-CD1 4.16Å; F86-L150 HydrophobicContact CG-CB 4.28Å; F86-L150 HydrophobicContact CG-CD1 4.21Å; F86-L150 HydrophobicContact CG-CD2 4Å; F86-L150 HydrophobicContact CG-CG 4.39Å; F86-L150 HydrophobicContact CZ-CB 4.46Å; F86-L150 HydrophobicContact CZ-CD1 4.41Å; L99-L150 HydrophobicContact CD1-CD1 3.93Å; L99-L150 HydrophobicContact CD1-CD2 4.14Å; L99-L150 HydrophobicContact CD2-CD1 4.13Å; L99-L150 HydrophobicContact CD2-CD2 4.35Å; V101-L150 HydrophobicContact CB-CD2 4.12Å; V101-L150 HydrophobicContact CG2-CD2 3.87Å; F139-L150 HydrophobicContact CB-CD1 3.59Å; F139-L150 HydrophobicContact CB-CG 3.93Å; F139-L150 PolarHBondContact O-N 3.41Å; R140-L150 HydrophobicContact CG-CB 3.62Å; R140-L150 WeakPolarHBondContact CG-O 3.39Å; I146-L150 HydrophobicContact CD1-CD2 3.76Å; I146-L150 HydrophobicContact CD1-CG 4.1Å
151	G	88.9	Confident	84	Confident	30 Å²	30	56.7 Å²	56.7	31%	0.309	31%	0.314	S	S	.	.			trans	-97.3	-115.5	-173.8	0	0	0	0	0	113.4	G84 R140	G84-G151 PolarHBondContact O-N 3.46Å; R140-G151 PolarHBondContact NE-O 3.48Å; R140-G151 VanDerWaalsContact NE-O 3.14Å; R140-G151 PolarHBondContact NH2-O 2.72Å
152	K	90.3	Very high	84.6	Confident	139 Å²	139	53.7 Å²	53.7	60%	0.604	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-88.6	137.8	170.2	-67.9	-178.1	178.6	179.6	0	109.5	T85 F86	T85-K152 VanDerWaalsContact CA-O 3.31Å; T85-K152 WeakPolarHBondContact CA-O 3.47Å; F86-K152 PolarHBondContact N-O 3.12Å
153	P	93.3	Very high	85.7	Confident	20 Å²	20	52.5 Å²	52.5	13%	0.13	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-72.6	153	169.3	31.1	-33.9	0	0	0	111	W63 F86 P155	W63-P153 HydrophobicContact CB-CB 3.58Å; W63-P153 HydrophobicContact CB-CG 4.33Å; F86-P153 HydrophobicContact CD1-CB 4.46Å; F86-P153 HydrophobicContact CE1-CB 3.92Å; F86-P153 HydrophobicContact CE2-CB 4.28Å; F86-P153 HydrophobicContact CZ-CB 3.82Å; F86-P153 CarbonylContact O-C 3.54Å; F86-P153 VanDerWaalsContact O-CA 3.25Å; F86-P153 WeakPolarHBondContact O-CA 3.46Å; P153-P155 WeakPolarHBondContact O-CD 3.3Å
154	V	93.1	Very high	87	Confident	4 Å²	4	47.6 Å²	47.6	2%	0.024	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-68.9	123.6	159.5	-176.4	0	0	0	0	107.3	H65 L77 T85 F86 L87 G156	H65-V154 PolarHBondContact NE2-O 2.99Å; L77-V154 HydrophobicContact CD2-CG2 3.63Å; L77-V154 HydrophobicContact CG-CG2 4.43Å; T85-V154 HydrophobicContact CG2-CG2 3.66Å; F86-V154 PolarHBondContact O-N 2.98Å; L87-V154 HydrophobicContact CB-CB 4.3Å; L87-V154 HydrophobicContact CD2-CB 4.31Å; L87-V154 HydrophobicContact CD2-CG2 4.35Å; V154-G156 PolarHBondContact O-N 3.18Å
155	P	90.1	Very high	88.2	Confident	75 Å²	75	46.3 Å²	46.3	49%	0.487	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-54.9	132.8	179.6	-26.7	35.4	0	0	0	112.1	V58 H65 P153	V58-P155 HydrophobicContact CG1-CB 4.43Å; H65-P155 PolarHBondContact CE1-O 3.02Å; H65-P155 PolarHBondContact NE2-O 3.25Å; P153-P155 WeakPolarHBondContact O-CD 3.3Å
156	G	89.4	Confident	89.1	Confident	29 Å²	29	44 Å²	44	30%	0.299	24%	0.24	S	C	.	.			trans	-147.3	-145.7	179.6	0	0	0	0	0	112.2	H62 V154	H62-G156 PolarHBondContact O-N 3.35Å; V154-G156 PolarHBondContact O-N 3.18Å
157	L	89.1	Confident	89.5	Confident	112 Å²	112	44.7 Å²	44.7	59%	0.586	25%	0.249	S	C	*	.	B	Isolated β-bridge	trans	-80.9	165.6	174.7	-55.7	176.7	0	0	0	111.3	H62 F64	H62-L157 CarbonylContact C-O 3.18Å; H62-L157 WeakPolarHBondContact CA-O 3.21Å; F64-L157 PolarHBondContact N-O 2.91Å; F64-L157 WeakPolarHBondContact O-CA 3.23Å; F64-L157 WeakPolarHBondContact O-CB 3.2Å; F64-L157 PolarHBondContact O-N 3.24Å
158	R	87.3	Confident	89.6	Confident	132 Å²	132	46.9 Å²	46.9	50%	0.498	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-65.7	133.9	164.5	-173	176.7	-62.1	-176.4	5.9	108.1	E205	R158-E205 IonicContact CZ-OE2 2.58Å; R158-E205 IonicContact NH1-OE2 2.76Å; R158-E205 PolarHBondContact NH1-OE2 3.04Å
159	P	91.2	Very high	89.9	Confident	13 Å²	13	47.8 Å²	47.8	8%	0.084	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-60.9	133.2	171.3	26.2	-35.4	0	0	0	110	S61 W63 F64 I163 T164	S61-P159 WeakPolarHBondContact O-CD 3.47Å; W63-P159 HydrophobicContact CE3-CB 4.41Å; W63-P159 HydrophobicContact CH2-CB 3.45Å; W63-P159 VanDerWaalsContact CH2-CB 3.45Å; W63-P159 HydrophobicContact CH2-CG 4.04Å; W63-P159 HydrophobicContact CZ2-CB 3.62Å; W63-P159 HydrophobicContact CZ2-CG 3.64Å; W63-P159 HydrophobicContact CZ3-CB 3.88Å; F64-P159 HydrophobicContact CB-CB 4.06Å; P159-I163 HydrophobicContact CB-CD1 3.95Å; P159-I163 HydrophobicContact CB-CG1 4.1Å; P159-T164 HydrophobicContact CB-CG2 3.74Å; P159-T164 HydrophobicContact CG-CG2 3.73Å
160	P	90.5	Very high	90.1	Very high	32 Å²	32	46.8 Å²	46.8	21%	0.208	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-69.3	149.8	-175.4	27	-35.6	0	0	0	112	F64 H162 I163	F64-P160 VanDerWaalsContact CD1-CD 3.5Å; F64-P160 HydrophobicContact CD1-CG 4.46Å; F64-P160 HydrophobicContact CE1-CG 4.07Å; P160-H162 WeakPolarHBondContact CG-CE1 3.2Å; P160-H162 PolarHBondContact O-N 3.42Å; P160-I163 HydrophobicContact CG-CD1 4.32Å; P160-I163 HydrophobicContact CG-CG1 4.13Å; P160-I163 WeakPolarHBondContact O-CG1 3.3Å; P160-I163 PolarHBondContact O-N 3.18Å
161	P	91.4	Very high	90.3	Very high	26 Å²	26	50.6 Å²	50.6	17%	0.169	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-16.1	-172	-29.3	36.6	0	0	0	117	N204 K206 L239	P161-N204 VanDerWaalsContact CB-O 3.24Å; P161-N204 WeakPolarHBondContact CB-O 3.38Å; P161-N204 HydrophobicContact CG-CB 4.28Å; P161-N204 VanDerWaalsContact CG-O 3.23Å; P161-N204 WeakPolarHBondContact CG-O 3.33Å; P161-K206 HydrophobicContact CB-CD 4.11Å; P161-K206 HydrophobicContact CB-CG 4.26Å; P161-K206 WeakPolarHBondContact O-CD 3.5Å; P161-K206 WeakPolarHBondContact O-CE 3.35Å; P161-L239 HydrophobicContact CB-CD1 4.09Å
162	H	89.4	Confident	90.7	Very high	99 Å²	99	49.1 Å²	49.1	46%	0.458	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-14.9	176.5	68.2	-83.6	0	0	0	114.1	Y97 Y120 P160 L239	Y97-H162 PolarHBondContact OH-NE2 2.85Å; Y120-H162 PolarHBondContact OH-O 2.97Å; P160-H162 WeakPolarHBondContact CG-CE1 3.2Å; P160-H162 PolarHBondContact O-N 3.42Å; H162-L239 HydrophobicContact CB-CD2 3.73Å
163	I	91.3	Very high	90.9	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	24%	0.236	C	C	.	.	S	Bend	trans	-105.4	2.4	174.9	70.7	168.9	0	0	0	114	W63 F64 Y97 G131 I132 P159 P160	W63-I163 HydrophobicContact CH2-CD1 3.83Å; W63-I163 HydrophobicContact CH2-CG1 4.47Å; W63-I163 HydrophobicContact CZ3-CD1 3.96Å; F64-I163 HydrophobicContact CD2-CD1 4.05Å; F64-I163 HydrophobicContact CE2-CD1 4.19Å; F64-I163 HydrophobicContact CG-CD1 4.48Å; Y97-I163 HydrophobicContact CE1-CG2 3.92Å; Y97-I163 HydrophobicContact CE2-CG2 3.95Å; Y97-I163 VanDerWaalsContact CZ-CG2 3.48Å; Y97-I163 WeakPolarHBondContact OH-CG2 3.39Å; G131-I163 CarbonylContact C-O 3.56Å; I132-I163 HydrophobicContact CB-CB 4.41Å; I132-I163 HydrophobicContact CB-CD1 4.5Å; I132-I163 HydrophobicContact CD1-CB 4.06Å; I132-I163 HydrophobicContact CD1-CD1 4.27Å; I132-I163 HydrophobicContact CD1-CG2 4.26Å; I132-I163 HydrophobicContact CG1-CB 4.23Å; I132-I163 PolarHBondContact N-O 3.4Å; P159-I163 HydrophobicContact CB-CD1 3.95Å; P159-I163 HydrophobicContact CB-CG1 4.1Å; P160-I163 HydrophobicContact CG-CD1 4.32Å; P160-I163 HydrophobicContact CG-CG1 4.13Å; P160-I163 WeakPolarHBondContact O-CG1 3.3Å; P160-I163 PolarHBondContact O-N 3.18Å
164	T	91.2	Very high	91.1	Very high	16 Å²	16	46.1 Å²	46.1	10%	0.098	25%	0.25	C	S	.	.			trans	-116.2	149.7	179.2	72.3	0	0	0	0	112.1	D133 P159 Y166 K206	D133-T164 HydrophobicContact CB-CG2 4.15Å; D133-T164 WeakPolarHBondContact OD1-CA 3.16Å; P159-T164 HydrophobicContact CB-CG2 3.74Å; P159-T164 HydrophobicContact CG-CG2 3.73Å; T164-Y166 WeakPolarHBondContact CB-O 3.29Å; T164-Y166 PolarHBondContact OG1-O 3.23Å; T164-K206 WeakPolarHBondContact O-CD 3.12Å; T164-K206 WeakPolarHBondContact O-CE 3.45Å; T164-K206 PolarHBondContact O-NZ 3.38Å; T164-K206 WeakPolarHBondContact OG1-CD 3.12Å
165	V	86.3	Confident	91.3	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.024	25%	0.253	C	S	.	.	S	Bend	trans	-79.4	-48.2	166.9	-175.2	0	0	0	0	109.6	L130 D133 L134 K206 G211 C242	L130-V165 HydrophobicContact CB-CG2 3.76Å; L130-V165 HydrophobicContact CD2-CG1 4.05Å; L130-V165 HydrophobicContact CD2-CG2 3.96Å; L130-V165 HydrophobicContact CG-CG2 3.8Å; D133-V165 PolarHBondContact OD1-N 2.76Å; D133-V165 PolarHBondContact OD2-N 3.35Å; L134-V165 HydrophobicContact CD1-CB 4.21Å; L134-V165 HydrophobicContact CD1-CG2 3.57Å; L134-V165 HydrophobicContact CG-CB 4.21Å; L134-V165 HydrophobicContact CG-CG2 3.75Å; V165-K206 PolarHBondContact O-NZ 2.87Å; V165-G211 WeakPolarHBondContact O-CA 3.38Å; V165-C242 HydrophobicContact CG1-CB 3.74Å
166	Y	87.5	Confident	91.6	Very high	71 Å²	71	42.8 Å²	42.8	28%	0.278	23%	0.23	S	C	.	.			trans	-110.9	169.9	-175	-60.1	-81	0	0	0	112.8	D133 L134 T164 A208 C242	D133-Y166 PolarHBondContact OD2-N 2.73Å; L134-Y166 HydrophobicContact CD2-CD2 4.25Å; L134-Y166 HydrophobicContact CD2-CE2 4.12Å; T164-Y166 WeakPolarHBondContact CB-O 3.29Å; T164-Y166 PolarHBondContact OG1-O 3.23Å; Y166-A208 WeakPolarHBondContact CD1-O 2.98Å; Y166-C242 HydrophobicContact CE1-CB 3.9Å
167	G	88.8	Confident	92	Very high	25 Å²	25	45.5 Å²	45.5	26%	0.258	23%	0.231	S	C	.	.			trans	-154.7	-145.6	175.8	0	0	0	0	0	111.1	E205 K206 A208	G167-E205 VanDerWaalsContact CA-OE1 3.27Å; G167-E205 WeakPolarHBondContact CA-OE1 3.45Å; G167-K206 CarbonylContact C-O 3.59Å; G167-K206 WeakPolarHBondContact CA-O 3.4Å; G167-K206 PolarHBondContact N-O 3.35Å; G167-A208 WeakPolarHBondContact O-CA 3.32Å; G167-A208 WeakPolarHBondContact O-CB 3.35Å
168	V	88.7	Confident	92.3	Very high	86 Å²	86	48.3 Å²	48.3	52%	0.521	24%	0.239	S	C	.	.			trans	-112.9	116.1	176.9	-174.9	0	0	0	0	111.3	N170 E205 K206	V168-N170 PolarHBondContact O-N 2.89Å; V168-E205 PolarHBondContact N-OE1 2.95Å; V168-E205 VanDerWaalsContact O-CG 3.31Å; V168-E205 WeakPolarHBondContact O-CG 3.26Å; V168-K206 CarbonylContact C-O 3.5Å; V168-K206 PolarHBondContact N-O 2.83Å
169	T	92.2	Very high	92.7	Very high	36 Å²	36	44.4 Å²	44.4	22%	0.221	24%	0.235	C	C	.	.			trans	-59.9	128.8	169.2	-49.9	0	0	0	0	109.9	H173 A208	T169-H173 HydrophobicContact CG2-CB 3.86Å; T169-A208 PolarHBondContact OG1-N 2.9Å
170	N	91.8	Very high	92.9	Very high	26 Å²	26	47.4 Å²	47.4	14%	0.139	25%	0.25	C	S	.	.			trans	-131.6	174.3	-175	67.1	19.3	0	0	0	111.5	V168 L172 H173 H174 Y202	V168-N170 PolarHBondContact O-N 2.89Å; N170-L172 PolarHBondContact O-N 2.94Å; N170-L172 VanDerWaalsContact O-N 3.07Å; N170-L172 WeakPolarHBondContact OD1-CB 3.39Å; N170-L172 PolarHBondContact OD1-N 3.3Å; N170-L172 VanDerWaalsContact OD1-N 3.15Å; N170-H173 PolarHBondContact N-ND1 3.01Å; N170-H173 WeakPolarHBondContact O-CB 3.48Å; N170-H173 PolarHBondContact O-N 2.93Å; N170-H173 PolarHBondContact OD1-N 2.96Å; N170-H173 PolarHBondContact OD1-ND1 3.2Å; N170-H174 PolarHBondContact O-CD2 3.14Å; N170-H174 VanDerWaalsContact O-CD2 3.23Å; N170-H174 PolarHBondContact O-N 3.38Å; N170-Y202 HydrophobicContact CB-CE2 4.33Å; N170-Y202 WeakPolarHBondContact ND2-CE2 3.3Å
171	D	94.7	Very high	93.2	Very high	86 Å²	86	47.7 Å²	47.7	46%	0.46	25%	0.25	S	C	.	.	H	α-helix	trans	-49.3	-36.3	179.3	-77.1	10.8	0	0	0	113.7	H174 A175 L187 R190	D171-H174 PolarHBondContact O-N 3.06Å; D171-A175 WeakPolarHBondContact O-CB 3.36Å; D171-A175 PolarHBondContact O-N 2.72Å; D171-L187 HydrophobicContact CB-CD1 3.87Å; D171-L187 HydrophobicContact CB-CD2 3.5Å; D171-L187 HydrophobicContact CB-CG 4.34Å; D171-R190 IonicContact OD2-NH2 3.68Å
172	L	96.4	Very high	93.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65.9	-41.8	179.7	178.9	63.1	0	0	0	111.7	N170 H174 A175 V176 V184 L187 F188 Y202 P214 L230	N170-L172 PolarHBondContact O-N 2.94Å; N170-L172 VanDerWaalsContact O-N 3.07Å; N170-L172 WeakPolarHBondContact OD1-CB 3.39Å; N170-L172 PolarHBondContact OD1-N 3.3Å; N170-L172 VanDerWaalsContact OD1-N 3.15Å; L172-H174 VanDerWaalsContact C-N 3.32Å; L172-H174 PolarHBondContact O-N 3.39Å; L172-A175 PolarHBondContact O-N 2.88Å; L172-V176 HydrophobicContact CD1-CG2 4.07Å; L172-V176 HydrophobicContact CG-CG2 4.49Å; L172-V176 WeakPolarHBondContact O-CB 3.33Å; L172-V176 VanDerWaalsContact O-CG2 3.22Å; L172-V176 WeakPolarHBondContact O-CG2 3.45Å; L172-V176 PolarHBondContact O-N 2.56Å; L172-V184 HydrophobicContact CD1-CB 4.4Å; L172-V184 HydrophobicContact CD1-CG1 3.8Å; L172-V184 HydrophobicContact CD1-CG2 4.16Å; L172-L187 HydrophobicContact CB-CD1 4.37Å; L172-F188 HydrophobicContact CD1-CE1 3.97Å; L172-F188 HydrophobicContact CD1-CZ 4.47Å; L172-F188 HydrophobicContact CD2-CE1 3.74Å; L172-F188 HydrophobicContact CD2-CZ 4.39Å; L172-Y202 HydrophobicContact CB-CE1 3.65Å; L172-Y202 HydrophobicContact CD2-CD1 3.91Å; L172-Y202 HydrophobicContact CD2-CE1 3.7Å; L172-Y202 HydrophobicContact CG-CE1 4.24Å; L172-Y202 PolarHBondContact N-OH 3.36Å; L172-P214 HydrophobicContact CD2-CB 3.95Å; L172-P214 HydrophobicContact CD2-CG 3.61Å; L172-P214 HydrophobicContact CG-CB 3.92Å; L172-P214 HydrophobicContact CG-CG 3.78Å; L172-L230 HydrophobicContact CD1-CD2 4.26Å; L172-L230 HydrophobicContact CD2-CD2 4.45Å
173	H	96.3	Very high	93.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59.2	-44.9	171.4	-66.3	83.7	0	0	0	111.2	T169 N170 V176 R177 E205 S207 A212	T169-H173 HydrophobicContact CG2-CB 3.86Å; N170-H173 PolarHBondContact N-ND1 3.01Å; N170-H173 WeakPolarHBondContact O-CB 3.48Å; N170-H173 PolarHBondContact O-N 2.93Å; N170-H173 PolarHBondContact OD1-N 2.96Å; N170-H173 PolarHBondContact OD1-ND1 3.2Å; H173-V176 PolarHBondContact O-N 3.29Å; H173-R177 WeakPolarHBondContact O-CB 3.32Å; H173-R177 WeakPolarHBondContact O-CG 3.1Å; H173-R177 PolarHBondContact O-N 2.91Å; H173-E205 PolarHBondContact CE1-O 3.17Å; H173-E205 VanDerWaalsContact CE1-O 3.32Å; H173-E205 PolarHBondContact NE2-O 2.92Å; H173-S207 PolarHBondContact NE2-N 2.94Å; H173-S207 VanDerWaalsContact NE2-N 3.18Å; H173-A212 PolarHBondContact CD2-O 2.94Å; H173-A212 PolarHBondContact NE2-O 2.89Å; H173-A212 VanDerWaalsContact NE2-O 3.08Å
174	H	96.2	Very high	93.9	Very high	95 Å²	95	49.2 Å²	49.2	44%	0.44	26%	0.256	S	S	.	.	H	α-helix	trans	-66.4	-38.5	179.5	-64.7	-64.3	0	0	0	113.1	N170 D171 L172 K178	N170-H174 PolarHBondContact O-CD2 3.14Å; N170-H174 VanDerWaalsContact O-CD2 3.23Å; N170-H174 PolarHBondContact O-N 3.38Å; D171-H174 PolarHBondContact O-N 3.06Å; L172-H174 VanDerWaalsContact C-N 3.32Å; L172-H174 PolarHBondContact O-N 3.39Å; H174-K178 WeakPolarHBondContact O-CG 3.32Å; H174-K178 PolarHBondContact O-N 2.88Å
175	A	97.3	Very high	94.2	Very high	10 Å²	10	54.4 Å²	54.4	8%	0.083	27%	0.274	C	S	.	.	H	α-helix	trans	-66.7	-44.3	175.5	0	0	0	0	0	111.7	D171 L172 K178 A179 N180 V184 L187	D171-A175 WeakPolarHBondContact O-CB 3.36Å; D171-A175 PolarHBondContact O-N 2.72Å; L172-A175 PolarHBondContact O-N 2.88Å; A175-K178 CarbonylContact O-C 3.6Å; A175-K178 PolarHBondContact O-N 2.87Å; A175-A179 PolarHBondContact O-N 2.82Å; A175-N180 PolarHBondContact O-N 2.89Å; A175-V184 HydrophobicContact CB-CG2 3.91Å; A175-L187 HydrophobicContact CB-CD1 3.77Å
176	V	97.4	Very high	94.6	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-67.5	-43.2	178.9	173.1	0	0	0	0	112.2	L172 H173 K178 A179 V184 P214 E217 A218 I226 L230	L172-V176 HydrophobicContact CD1-CG2 4.07Å; L172-V176 HydrophobicContact CG-CG2 4.49Å; L172-V176 WeakPolarHBondContact O-CB 3.33Å; L172-V176 VanDerWaalsContact O-CG2 3.22Å; L172-V176 WeakPolarHBondContact O-CG2 3.45Å; L172-V176 PolarHBondContact O-N 2.56Å; H173-V176 PolarHBondContact O-N 3.29Å; V176-K178 PolarHBondContact O-N 2.91Å; V176-A179 WeakPolarHBondContact O-CA 3.4Å; V176-A179 PolarHBondContact O-N 3.32Å; V176-V184 HydrophobicContact CG2-CG2 3.72Å; V176-P214 WeakPolarHBondContact CG1-O 3.29Å; V176-P214 HydrophobicContact CG2-CB 4.35Å; V176-E217 HydrophobicContact CG1-CB 3.76Å; V176-A218 HydrophobicContact CG1-CB 3.68Å; V176-A218 VanDerWaalsContact CG1-N 3.27Å; V176-I226 HydrophobicContact CG1-CG2 4.18Å; V176-I226 HydrophobicContact CG2-CG2 3.81Å; V176-L230 HydrophobicContact CG2-CD1 4.48Å
177	R	96.8	Very high	94.9	Very high	85 Å²	85	54.7 Å²	54.7	32%	0.321	28%	0.28	S	S	.	.	H	α-helix	trans	-58.5	-31.7	175	-75.9	172.6	-179.3	-173.1	0.8	112.7	H173 A179 D209 E217	H173-R177 WeakPolarHBondContact O-CB 3.32Å; H173-R177 WeakPolarHBondContact O-CG 3.1Å; H173-R177 PolarHBondContact O-N 2.91Å; R177-A179 VanDerWaalsContact C-N 3.32Å; R177-D209 IonicContact CZ-OD1 2.72Å; R177-D209 IonicContact CZ-OD2 3.11Å; R177-D209 VanDerWaalsContact CZ-OD2 3.29Å; R177-D209 IonicContact NH1-OD1 3.45Å; R177-D209 IonicContact NH1-OD2 2.74Å; R177-D209 PolarHBondContact NH1-OD2 3.25Å; R177-D209 VanDerWaalsContact NH2-CG 3.31Å; R177-D209 IonicContact NH2-OD1 3.19Å; R177-D209 PolarHBondContact NH2-OD1 2.78Å; R177-D209 IonicContact NH2-OD2 3.38Å; R177-D209 PolarHBondContact NH2-OD2 3Å; R177-E217 IonicContact CZ-OE1 3.56Å; R177-E217 IonicContact NE-OE1 3.38Å; R177-E217 PolarHBondContact NE-OE1 3.26Å; R177-E217 IonicContact NH2-OE1 2.72Å; R177-E217 PolarHBondContact NH2-OE1 2.79Å
178	K	96	Very high	95.1	Very high	172 Å²	172	53.7 Å²	53.7	75%	0.748	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	7.4	174.6	-67.8	-178.7	178	-175.1	0	113.9	H174 A175 V176 N180	H174-K178 WeakPolarHBondContact O-CG 3.32Å; H174-K178 PolarHBondContact O-N 2.88Å; A175-K178 CarbonylContact O-C 3.6Å; A175-K178 PolarHBondContact O-N 2.87Å; V176-K178 PolarHBondContact O-N 2.91Å; K178-N180 HydrophobicContact CB-CB 4.44Å; K178-N180 PolarHBondContact O-N 2.84Å
179	A	95.1	Very high	95.2	Very high	50 Å²	50	54.4 Å²	54.4	41%	0.413	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	24.5	-172.7	0	0	0	0	0	114.5	A175 V176 R177 L181 S223	A175-A179 PolarHBondContact O-N 2.82Å; V176-A179 WeakPolarHBondContact O-CA 3.4Å; V176-A179 PolarHBondContact O-N 3.32Å; R177-A179 VanDerWaalsContact C-N 3.32Å; A179-L181 PolarHBondContact O-N 3.09Å; A179-S223 WeakPolarHBondContact CB-OG 3.33Å
180	N	95.9	Very high	95.2	Very high	76 Å²	76	59.1 Å²	59.1	41%	0.406	29%	0.287	S	S	.	.			trans	-82.1	77.9	-172.8	-176.1	1	0	0	0	111.5	A175 K178 K182 G183 V184	A175-N180 PolarHBondContact O-N 2.89Å; K178-N180 HydrophobicContact CB-CB 4.44Å; K178-N180 PolarHBondContact O-N 2.84Å; N180-K182 PolarHBondContact O-N 3.35Å; N180-K182 PolarHBondContact OD1-N 2.9Å; N180-G183 PolarHBondContact O-N 3.4Å; N180-G183 PolarHBondContact OD1-N 3Å; N180-V184 WeakPolarHBondContact O-CG2 3.49Å; N180-V184 PolarHBondContact O-N 3.41Å
181	L	96	Very high	94.9	Very high	38 Å²	38	58.4 Å²	58.4	20%	0.199	28%	0.283	C	S	.	.	H	α-helix	trans	-54.7	-33	179.1	178.5	62.4	0	0	0	113.2	A179 R185 D225 I226 L229	A179-L181 PolarHBondContact O-N 3.09Å; L181-R185 WeakPolarHBondContact O-CG 3.42Å; L181-R185 PolarHBondContact O-N 3.33Å; L181-D225 HydrophobicContact CD1-CB 4.38Å; L181-D225 HydrophobicContact CD2-CB 3.85Å; L181-I226 HydrophobicContact CB-CD1 4.34Å; L181-I226 HydrophobicContact CB-CG1 4Å; L181-I226 HydrophobicContact CD1-CG1 3.72Å; L181-I226 HydrophobicContact CG-CG1 4.44Å; L181-L229 HydrophobicContact CD1-CD2 3.82Å
182	K	96.1	Very high	94.5	Very high	144 Å²	144	58 Å²	58	63%	0.626	29%	0.288	S	S	*	.	H	α-helix	trans	-67.1	-51.7	173.8	-169.9	-164.9	170.8	-170.7	0	110.4	N180 V184 R185 D186	N180-K182 PolarHBondContact O-N 3.35Å; N180-K182 PolarHBondContact OD1-N 2.9Å; K182-V184 PolarHBondContact O-N 3.4Å; K182-R185 WeakPolarHBondContact O-CB 3.32Å; K182-R185 PolarHBondContact O-N 3.5Å; K182-D186 VanDerWaalsContact CE-OD2 3.3Å; K182-D186 WeakPolarHBondContact CE-OD2 3.3Å; K182-D186 VanDerWaalsContact O-CG 3.26Å; K182-D186 PolarHBondContact O-N 2.82Å
183	G	96.1	Very high	93.9	Very high	13 Å²	13	62.6 Å²	62.6	13%	0.134	32%	0.319	C	S	.	.	H	α-helix	trans	-55.9	-36.9	176.9	0	0	0	0	0	113.4	N180 L187	N180-G183 PolarHBondContact O-N 3.4Å; N180-G183 PolarHBondContact OD1-N 3Å; G183-L187 VanDerWaalsContact O-CB 3.27Å; G183-L187 WeakPolarHBondContact O-CB 3.14Å; G183-L187 WeakPolarHBondContact O-CD1 3.22Å; G183-L187 WeakPolarHBondContact O-CG 3.32Å; G183-L187 PolarHBondContact O-N 3.37Å
184	V	96.2	Very high	93.2	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-64	-44.5	173.5	177.2	0	0	0	0	111.8	L172 A175 V176 N180 K182 L187 F188 I226 L229 L230	L172-V184 HydrophobicContact CD1-CB 4.4Å; L172-V184 HydrophobicContact CD1-CG1 3.8Å; L172-V184 HydrophobicContact CD1-CG2 4.16Å; A175-V184 HydrophobicContact CB-CG2 3.91Å; V176-V184 HydrophobicContact CG2-CG2 3.72Å; N180-V184 WeakPolarHBondContact O-CG2 3.49Å; N180-V184 PolarHBondContact O-N 3.41Å; K182-V184 PolarHBondContact O-N 3.4Å; V184-L187 PolarHBondContact O-N 3.22Å; V184-F188 HydrophobicContact CG1-CD2 4.47Å; V184-F188 HydrophobicContact CG1-CE2 4.3Å; V184-F188 HydrophobicContact CG1-CZ 4.47Å; V184-F188 PolarHBondContact O-N 2.96Å; V184-I226 HydrophobicContact CG2-CD1 4.36Å; V184-I226 HydrophobicContact CG2-CG2 4.41Å; V184-L229 HydrophobicContact CB-CD2 4.27Å; V184-L229 HydrophobicContact CG1-CD2 3.66Å; V184-L229 HydrophobicContact CG1-CG 4.44Å; V184-L230 HydrophobicContact CG1-CD2 4.44Å
185	R	96.1	Very high	91.9	Very high	126 Å²	126	73.1 Å²	73.1	48%	0.475	37%	0.37	S	S	.	.	H	α-helix	trans	-64.9	-44.3	175.5	-70.5	175.6	177.6	141.2	1.2	112.1	L181 K182 L187 F188 T189 L229	L181-R185 WeakPolarHBondContact O-CG 3.42Å; L181-R185 PolarHBondContact O-N 3.33Å; K182-R185 WeakPolarHBondContact O-CB 3.32Å; K182-R185 PolarHBondContact O-N 3.5Å; R185-L187 VanDerWaalsContact C-N 3.27Å; R185-L187 PolarHBondContact O-N 3.1Å; R185-F188 PolarHBondContact O-N 3.48Å; R185-T189 PolarHBondContact O-N 3.41Å; R185-T189 PolarHBondContact O-OG1 3.48Å; R185-L229 HydrophobicContact CG-CD1 4.45Å; R185-L229 HydrophobicContact CG-CD2 3.45Å; R185-L229 VanDerWaalsContact CG-CD2 3.45Å
186	D	95	Very high	90.4	Very high	72 Å²	72	79.3 Å²	79.3	39%	0.385	41%	0.406	S	S	.	.	H	α-helix	trans	-63.6	-35.5	178.4	-62.7	-13.4	0	0	0	110.7	K182 R190	K182-D186 VanDerWaalsContact CE-OD2 3.3Å; K182-D186 WeakPolarHBondContact CE-OD2 3.3Å; K182-D186 VanDerWaalsContact O-CG 3.26Å; K182-D186 PolarHBondContact O-N 2.82Å; D186-R190 WeakPolarHBondContact O-CG 3.27Å; D186-R190 PolarHBondContact O-N 3.22Å; D186-R190 VanDerWaalsContact O-N 3.09Å
187	L	94.4	Very high	89.1	Confident	8 Å²	8	82.3 Å²	82.3	4%	0.042	43%	0.425	C	S	.	.	H	α-helix	trans	-67.3	-47.2	171.9	-81.1	163.8	0	0	0	113	D171 L172 A175 G183 V184 R185 T189 R190 V191	D171-L187 HydrophobicContact CB-CD1 3.87Å; D171-L187 HydrophobicContact CB-CD2 3.5Å; D171-L187 HydrophobicContact CB-CG 4.34Å; L172-L187 HydrophobicContact CB-CD1 4.37Å; A175-L187 HydrophobicContact CB-CD1 3.77Å; G183-L187 VanDerWaalsContact O-CB 3.27Å; G183-L187 WeakPolarHBondContact O-CB 3.14Å; G183-L187 WeakPolarHBondContact O-CD1 3.22Å; G183-L187 WeakPolarHBondContact O-CG 3.32Å; G183-L187 PolarHBondContact O-N 3.37Å; V184-L187 PolarHBondContact O-N 3.22Å; R185-L187 VanDerWaalsContact C-N 3.27Å; R185-L187 PolarHBondContact O-N 3.1Å; L187-T189 VanDerWaalsContact C-N 3.3Å; L187-T189 PolarHBondContact O-N 2.99Å; L187-R190 PolarHBondContact O-N 3.41Å; L187-V191 WeakPolarHBondContact O-CG2 3.48Å; L187-V191 PolarHBondContact O-N 2.9Å
188	F	92.9	Very high	88.4	Confident	5 Å²	5	81.3 Å²	81.3	2%	0.022	43%	0.431	C	S	.	.	H	α-helix	trans	-62.7	-37.2	177	-76.7	-6.4	0	0	0	112.5	L172 V184 R185 S192 L199 V203 L229 L230 H233	L172-F188 HydrophobicContact CD1-CE1 3.97Å; L172-F188 HydrophobicContact CD1-CZ 4.47Å; L172-F188 HydrophobicContact CD2-CE1 3.74Å; L172-F188 HydrophobicContact CD2-CZ 4.39Å; V184-F188 HydrophobicContact CG1-CD2 4.47Å; V184-F188 HydrophobicContact CG1-CE2 4.3Å; V184-F188 HydrophobicContact CG1-CZ 4.47Å; V184-F188 PolarHBondContact O-N 2.96Å; R185-F188 PolarHBondContact O-N 3.48Å; F188-S192 WeakPolarHBondContact O-CB 3.35Å; F188-S192 PolarHBondContact O-N 3.23Å; F188-S192 PolarHBondContact O-OG 2.82Å; F188-L199 HydrophobicContact CD1-CD1 4.22Å; F188-V203 HydrophobicContact CE1-CG2 3.57Å; F188-V203 HydrophobicContact CZ-CG2 3.62Å; F188-L229 HydrophobicContact CD2-CD1 4.32Å; F188-L229 HydrophobicContact CD2-CD2 4.46Å; F188-L229 HydrophobicContact CD2-CG 4.09Å; F188-L229 HydrophobicContact CE2-CG 4Å; F188-L230 HydrophobicContact CE1-CD2 4.4Å; F188-L230 HydrophobicContact CE2-CD2 4.18Å; F188-L230 HydrophobicContact CZ-CD2 3.54Å; F188-H233 HydrophobicContact CD2-CB 4.25Å; F188-H233 AromaticContact CD2-CD2 3.77Å; F188-H233 AromaticContact CD2-CE1 3.67Å; F188-H233 AromaticContact CD2-CG 3.56Å; F188-H233 AromaticContact CD2-ND1 3.48Å; F188-H233 WeakPolarHBondContact CD2-ND1 3.45Å; F188-H233 AromaticContact CD2-NE2 3.83Å; F188-H233 HydrophobicContact CE2-CB 3.68Å; F188-H233 AromaticContact CE2-CG 3.42Å; F188-H233 VanDerWaalsContact CE2-CG 3.42Å; F188-H233 AromaticContact CE2-ND1 3.4Å; F188-H233 WeakPolarHBondContact CE2-ND1 3.4Å; F188-H233 HydrophobicContact CZ-CB 3.99Å
189	T	91.1	Very high	87.9	Confident	101 Å²	101	75 Å²	75	62%	0.62	41%	0.405	S	S	*	.	H	α-helix	trans	-63.4	-45.4	174	-53.6	0	0	0	0	111	R185 L187 S193	R185-T189 PolarHBondContact O-N 3.41Å; R185-T189 PolarHBondContact O-OG1 3.48Å; L187-T189 VanDerWaalsContact C-N 3.3Å; L187-T189 PolarHBondContact O-N 2.99Å; T189-S193 PolarHBondContact O-N 3.2Å
190	R	90.4	Very high	87.3	Confident	134 Å²	134	75 Å²	75	51%	0.506	40%	0.402	S	S	.	.	H	α-helix	trans	-62.7	-53.1	176.2	-75.7	-170.4	-67.5	148.8	-4.9	112.2	D171 D186 L187 S192 S193 M194	D171-R190 IonicContact OD2-NH2 3.68Å; D186-R190 WeakPolarHBondContact O-CG 3.27Å; D186-R190 PolarHBondContact O-N 3.22Å; D186-R190 VanDerWaalsContact O-N 3.09Å; L187-R190 PolarHBondContact O-N 3.41Å; R190-S192 VanDerWaalsContact C-N 3.33Å; R190-S192 PolarHBondContact O-N 2.85Å; R190-S193 PolarHBondContact O-N 3.28Å; R190-S193 PolarHBondContact O-OG 2.9Å; R190-M194 WeakPolarHBondContact O-CG 3.49Å
191	V	87.4	Confident	86.9	Confident	12 Å²	12	75.7 Å²	75.7	7%	0.073	41%	0.406	C	S	.	.	H	α-helix	trans	-65.2	-35.3	-176.9	175.7	0	0	0	0	111.9	L187 S193 M194 L199 Y202	L187-V191 WeakPolarHBondContact O-CG2 3.48Å; L187-V191 PolarHBondContact O-N 2.9Å; V191-S193 PolarHBondContact O-N 3.4Å; V191-S193 VanDerWaalsContact O-N 3.12Å; V191-M194 PolarHBondContact O-N 3.04Å; V191-L199 HydrophobicContact CB-CD1 4.16Å; V191-L199 HydrophobicContact CG1-CD1 3.76Å; V191-Y202 HydrophobicContact CB-CD1 4.33Å; V191-Y202 HydrophobicContact CG1-CD1 4.08Å; V191-Y202 HydrophobicContact CG1-CG 3.99Å; V191-Y202 HydrophobicContact CG2-CD1 3.9Å; V191-Y202 HydrophobicContact CG2-CD2 4.31Å; V191-Y202 HydrophobicContact CG2-CE1 3.74Å; V191-Y202 HydrophobicContact CG2-CE2 4.18Å; V191-Y202 HydrophobicContact CG2-CG 4.19Å
192	S	85.3	Confident	86.6	Confident	78 Å²	78	75.2 Å²	75.2	55%	0.545	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-12.5	174.5	-55.1	0	0	0	0	113.9	F188 R190 L199	F188-S192 WeakPolarHBondContact O-CB 3.35Å; F188-S192 PolarHBondContact O-N 3.23Å; F188-S192 PolarHBondContact O-OG 2.82Å; R190-S192 VanDerWaalsContact C-N 3.33Å; R190-S192 PolarHBondContact O-N 2.85Å; S192-L199 WeakPolarHBondContact OG-CD2 3.34Å
193	S	84.7	Confident	86.5	Confident	96 Å²	96	68.4 Å²	68.4	67%	0.671	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	2.2	172.6	70.6	0	0	0	0	114.1	T189 R190 V191	T189-S193 PolarHBondContact O-N 3.2Å; R190-S193 PolarHBondContact O-N 3.28Å; R190-S193 PolarHBondContact O-OG 2.9Å; V191-S193 PolarHBondContact O-N 3.4Å; V191-S193 VanDerWaalsContact O-N 3.12Å
194	M	80.9	Confident	86.4	Confident	111 Å²	111	68.3 Å²	68.3	55%	0.547	37%	0.368	S	S	.	.			trans	-108.9	110.3	-179.8	-63.2	176.7	96.3	0	0	110.3	R190 V191 V196	R190-M194 WeakPolarHBondContact O-CG 3.49Å; V191-M194 PolarHBondContact O-N 3.04Å; M194-V196 PolarHBondContact O-N 3.27Å; M194-V196 VanDerWaalsContact O-N 3.09Å
195	E	68.5	Low	86.3	Confident	204 Å²	204	69 Å²	69	95%	0.953	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-15.1	-178.2	-59.1	-173.8	144.4	0	0	114.1
196	V	66.7	Low	86.2	Confident	140 Å²	140	63.3 Å²	63.3	85%	0.848	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-26.4	-169.6	-175.1	0	0	0	0	113.7	M194	M194-V196 PolarHBondContact O-N 3.27Å; M194-V196 VanDerWaalsContact O-N 3.09Å
197	T	68.9	Low	86.1	Confident	64 Å²	64	59.9 Å²	59.9	39%	0.393	33%	0.332	S	S	.	.	S	Bend	trans	-124.3	122.2	-175.6	-49.8	0	0	0	0	110.3	L199	T197-L199 PolarHBondContact O-N 3.41Å
198	S	82.1	Confident	85.9	Confident	63 Å²	63	62.2 Å²	62.2	44%	0.441	35%	0.352	S	S	.	.			trans	-62.6	129.6	171.8	-173.9	0	0	0	0	110.2	S200 D201 Y202	S198-S200 PolarHBondContact O-N 3.24Å; S198-S200 PolarHBondContact OG-OG 2.95Å; S198-D201 PolarHBondContact O-N 3.49Å; S198-Y202 PolarHBondContact O-N 3.08Å
199	L	85.5	Confident	85.5	Confident	41 Å²	41	64.8 Å²	64.8	22%	0.215	37%	0.366	C	S	.	.	H	α-helix	trans	-61	-31.5	178.6	-171.8	62.3	0	0	0	111.7	F188 V191 S192 T197 D201 Y202 V203	F188-L199 HydrophobicContact CD1-CD1 4.22Å; V191-L199 HydrophobicContact CB-CD1 4.16Å; V191-L199 HydrophobicContact CG1-CD1 3.76Å; S192-L199 WeakPolarHBondContact OG-CD2 3.34Å; T197-L199 PolarHBondContact O-N 3.41Å; L199-D201 PolarHBondContact O-N 3.32Å; L199-Y202 PolarHBondContact O-N 3.49Å; L199-V203 HydrophobicContact CD1-CG2 4.17Å; L199-V203 HydrophobicContact CG-CG2 4.25Å; L199-V203 WeakPolarHBondContact O-CB 3.28Å; L199-V203 WeakPolarHBondContact O-CG2 3.46Å; L199-V203 PolarHBondContact O-N 3.43Å
200	S	83.9	Confident	85.4	Confident	48 Å²	48	60.8 Å²	60.8	34%	0.336	34%	0.343	S	S	.	.	H	α-helix	trans	-56.3	-36.7	172.2	55.8	0	0	0	0	112.7	S198 N204	S198-S200 PolarHBondContact O-N 3.24Å; S198-S200 PolarHBondContact OG-OG 2.95Å; S200-N204 WeakPolarHBondContact O-CB 3.46Å; S200-N204 PolarHBondContact O-N 3.43Å; S200-N204 PolarHBondContact O-ND2 3.38Å
201	D	85.7	Confident	85.4	Confident	91 Å²	91	54.4 Å²	54.4	49%	0.487	32%	0.319	S	S	.	.	H	α-helix	trans	-88.3	-39.8	-170.8	-54.3	-3.5	0	0	0	108.6	S198 L199 V203 N204 E205	S198-D201 PolarHBondContact O-N 3.49Å; L199-D201 PolarHBondContact O-N 3.32Å; D201-V203 VanDerWaalsContact C-N 3.32Å; D201-V203 PolarHBondContact O-N 3.35Å; D201-N204 CarbonylContact O-C 3.55Å; D201-N204 PolarHBondContact O-N 3.04Å; D201-E205 PolarHBondContact O-N 3.25Å
202	Y	90.8	Very high	85.7	Confident	29 Å²	29	53.9 Å²	53.9	11%	0.114	32%	0.315	C	S	.	.	H	α-helix	trans	-59.9	-39	172.8	-172.4	-101.1	0	0	0	113.3	N170 L172 V191 S198 L199 N204	N170-Y202 HydrophobicContact CB-CE2 4.33Å; N170-Y202 WeakPolarHBondContact ND2-CE2 3.3Å; L172-Y202 HydrophobicContact CB-CE1 3.65Å; L172-Y202 HydrophobicContact CD2-CD1 3.91Å; L172-Y202 HydrophobicContact CD2-CE1 3.7Å; L172-Y202 HydrophobicContact CG-CE1 4.24Å; L172-Y202 PolarHBondContact N-OH 3.36Å; V191-Y202 HydrophobicContact CB-CD1 4.33Å; V191-Y202 HydrophobicContact CG1-CD1 4.08Å; V191-Y202 HydrophobicContact CG1-CG 3.99Å; V191-Y202 HydrophobicContact CG2-CD1 3.9Å; V191-Y202 HydrophobicContact CG2-CD2 4.31Å; V191-Y202 HydrophobicContact CG2-CE1 3.74Å; V191-Y202 HydrophobicContact CG2-CE2 4.18Å; V191-Y202 HydrophobicContact CG2-CG 4.19Å; S198-Y202 PolarHBondContact O-N 3.08Å; L199-Y202 PolarHBondContact O-N 3.49Å; Y202-N204 VanDerWaalsContact C-N 3.34Å
203	V	93.8	Very high	86.3	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-71.9	-27.7	177.5	171.9	0	0	0	0	112.5	F188 L199 D201 P214 H233 A235	F188-V203 HydrophobicContact CE1-CG2 3.57Å; F188-V203 HydrophobicContact CZ-CG2 3.62Å; L199-V203 HydrophobicContact CD1-CG2 4.17Å; L199-V203 HydrophobicContact CG-CG2 4.25Å; L199-V203 WeakPolarHBondContact O-CB 3.28Å; L199-V203 WeakPolarHBondContact O-CG2 3.46Å; L199-V203 PolarHBondContact O-N 3.43Å; D201-V203 VanDerWaalsContact C-N 3.32Å; D201-V203 PolarHBondContact O-N 3.35Å; V203-P214 WeakPolarHBondContact O-CD 3.39Å; V203-H233 HydrophobicContact CG2-CB 4.17Å; V203-A235 HydrophobicContact CG1-CB 3.64Å
204	N	94.8	Very high	86.9	Confident	12 Å²	12	45.6 Å²	45.6	6%	0.064	26%	0.257	C	S	.	.	H	α-helix	trans	-108.7	-1.7	-174	-69.9	-55.6	0	0	0	114.7	P161 S200 D201 Y202 T213 N234 A235 S236 L239	P161-N204 VanDerWaalsContact CB-O 3.24Å; P161-N204 WeakPolarHBondContact CB-O 3.38Å; P161-N204 HydrophobicContact CG-CB 4.28Å; P161-N204 VanDerWaalsContact CG-O 3.23Å; P161-N204 WeakPolarHBondContact CG-O 3.33Å; S200-N204 WeakPolarHBondContact O-CB 3.46Å; S200-N204 PolarHBondContact O-N 3.43Å; S200-N204 PolarHBondContact O-ND2 3.38Å; D201-N204 CarbonylContact O-C 3.55Å; D201-N204 PolarHBondContact O-N 3.04Å; Y202-N204 VanDerWaalsContact C-N 3.34Å; N204-T213 WeakPolarHBondContact O-CG2 3.19Å; N204-N234 PolarHBondContact ND2-O 3.31Å; N204-N234 VanDerWaalsContact ND2-O 3.12Å; N204-A235 WeakPolarHBondContact OD1-CA 3.42Å; N204-S236 PolarHBondContact ND2-OG 2.99Å; N204-S236 VanDerWaalsContact OD1-CB 3.29Å; N204-S236 WeakPolarHBondContact OD1-CB 3.42Å; N204-S236 PolarHBondContact OD1-N 3Å; N204-S236 PolarHBondContact OD1-OG 3.19Å; N204-L239 HydrophobicContact CB-CD1 4.32Å
205	E	93.4	Very high	87.7	Confident	14 Å²	14	40.4 Å²	40.4	7%	0.065	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-50.8	143.6	171.2	-173.5	59.9	-123	0	0	110.7	R158 G167 V168 H173 D201 P214	R158-E205 IonicContact CZ-OE2 2.58Å; R158-E205 IonicContact NH1-OE2 2.76Å; R158-E205 PolarHBondContact NH1-OE2 3.04Å; G167-E205 VanDerWaalsContact CA-OE1 3.27Å; G167-E205 WeakPolarHBondContact CA-OE1 3.45Å; V168-E205 PolarHBondContact N-OE1 2.95Å; V168-E205 VanDerWaalsContact O-CG 3.31Å; V168-E205 WeakPolarHBondContact O-CG 3.26Å; H173-E205 PolarHBondContact CE1-O 3.17Å; H173-E205 VanDerWaalsContact CE1-O 3.32Å; H173-E205 PolarHBondContact NE2-O 2.92Å; D201-E205 PolarHBondContact O-N 3.25Å; E205-P214 VanDerWaalsContact O-CD 3.28Å; E205-P214 WeakPolarHBondContact O-CD 3.22Å
206	K	93.9	Very high	89.1	Confident	6 Å²	6	30.7 Å²	30.7	3%	0.026	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-100.4	143.9	-177.2	-75.3	168	140.8	-80.1	0	110.2	P161 T164 V165 G167 V168 G211 T213 R240	P161-K206 HydrophobicContact CB-CD 4.11Å; P161-K206 HydrophobicContact CB-CG 4.26Å; P161-K206 WeakPolarHBondContact O-CD 3.5Å; P161-K206 WeakPolarHBondContact O-CE 3.35Å; T164-K206 WeakPolarHBondContact O-CD 3.12Å; T164-K206 WeakPolarHBondContact O-CE 3.45Å; T164-K206 PolarHBondContact O-NZ 3.38Å; T164-K206 WeakPolarHBondContact OG1-CD 3.12Å; V165-K206 PolarHBondContact O-NZ 2.87Å; G167-K206 CarbonylContact C-O 3.59Å; G167-K206 WeakPolarHBondContact CA-O 3.4Å; G167-K206 PolarHBondContact N-O 3.35Å; V168-K206 CarbonylContact C-O 3.5Å; V168-K206 PolarHBondContact N-O 2.83Å; K206-G211 WeakPolarHBondContact CG-O 3.42Å; K206-G211 PolarHBondContact NZ-O 2.58Å; K206-T213 HydrophobicContact CG-CG2 3.85Å; K206-R240 PolarHBondContact NZ-O 2.79Å
207	S	92.9	Very high	90.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-67	148.1	175.7	86.6	0	0	0	0	111.6	H173 D209 S210 G211 A212	H173-S207 PolarHBondContact NE2-N 2.94Å; H173-S207 VanDerWaalsContact NE2-N 3.18Å; S207-D209 VanDerWaalsContact C-N 3.3Å; S207-D209 WeakPolarHBondContact CB-OD1 3.46Å; S207-D209 PolarHBondContact OG-OD1 2.68Å; S207-S210 PolarHBondContact OG-N 2.86Å; S207-S210 VanDerWaalsContact OG-N 3.16Å; S207-S210 PolarHBondContact OG-OG 3.11Å; S207-S210 VanDerWaalsContact OG-OG 3.1Å; S207-G211 VanDerWaalsContact O-CA 3.26Å; S207-G211 WeakPolarHBondContact O-CA 3.41Å; S207-G211 PolarHBondContact O-N 2.84Å; S207-G211 VanDerWaalsContact O-N 3.07Å; S207-G211 PolarHBondContact OG-N 3.47Å; S207-A212 WeakPolarHBondContact CB-O 3.49Å; S207-A212 PolarHBondContact N-O 2.82Å; S207-A212 PolarHBondContact OG-N 2.94Å
208	A	89.6	Confident	92	Very high	57 Å²	57	21.4 Å²	21.4	47%	0.471	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-21.6	179.8	0	0	0	0	0	113.1	Y166 G167 T169	Y166-A208 WeakPolarHBondContact CD1-O 2.98Å; G167-A208 WeakPolarHBondContact O-CA 3.32Å; G167-A208 WeakPolarHBondContact O-CB 3.35Å; T169-A208 PolarHBondContact OG1-N 2.9Å
209	D	85.1	Confident	92.8	Very high	59 Å²	59	18.4 Å²	18.4	32%	0.316	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-40.5	-175.1	51.2	12.1	0	0	0	113.7	T43 R177 S207	T43-D209 WeakPolarHBondContact CG2-O 3.21Å; R177-D209 IonicContact CZ-OD1 2.72Å; R177-D209 IonicContact CZ-OD2 3.11Å; R177-D209 VanDerWaalsContact CZ-OD2 3.29Å; R177-D209 IonicContact NH1-OD1 3.45Å; R177-D209 IonicContact NH1-OD2 2.74Å; R177-D209 PolarHBondContact NH1-OD2 3.25Å; R177-D209 VanDerWaalsContact NH2-CG 3.31Å; R177-D209 IonicContact NH2-OD1 3.19Å; R177-D209 PolarHBondContact NH2-OD1 2.78Å; R177-D209 IonicContact NH2-OD2 3.38Å; R177-D209 PolarHBondContact NH2-OD2 3Å; S207-D209 VanDerWaalsContact C-N 3.3Å; S207-D209 WeakPolarHBondContact CB-OD1 3.46Å; S207-D209 PolarHBondContact OG-OD1 2.68Å
210	S	88.5	Confident	93.3	Very high	18 Å²	18	19.3 Å²	19.3	13%	0.126	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.1	2.7	-174.3	72	0	0	0	0	114.2	S207 A212 C242	S207-S210 PolarHBondContact OG-N 2.86Å; S207-S210 VanDerWaalsContact OG-N 3.16Å; S207-S210 PolarHBondContact OG-OG 3.11Å; S207-S210 VanDerWaalsContact OG-OG 3.1Å; S210-A212 PolarHBondContact O-N 3.35Å; S210-A212 WeakPolarHBondContact OG-CB 3.43Å; S210-C242 VanDerWaalsContact O-CB 3.29Å; S210-C242 WeakPolarHBondContact O-CB 3.43Å; S210-C242 PolarHBondContact O-N 3.29Å; S210-C242 PolarHBondContact O-SG 3.27Å
211	G	90.1	Very high	93.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.109	C	C	.	.			trans	63	7.9	-178.5	0	0	0	0	0	114.6	V165 K206 S207	V165-G211 WeakPolarHBondContact O-CA 3.38Å; K206-G211 WeakPolarHBondContact CG-O 3.42Å; K206-G211 PolarHBondContact NZ-O 2.58Å; S207-G211 VanDerWaalsContact O-CA 3.26Å; S207-G211 WeakPolarHBondContact O-CA 3.41Å; S207-G211 PolarHBondContact O-N 2.84Å; S207-G211 VanDerWaalsContact O-N 3.07Å; S207-G211 PolarHBondContact OG-N 3.47Å
212	A	95.5	Very high	94.3	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.091	C	C	.	.			trans	-79.7	137.6	-176.7	0	0	0	0	0	110.1	H173 S207 S210 I216 E217 D241	H173-A212 PolarHBondContact CD2-O 2.94Å; H173-A212 PolarHBondContact NE2-O 2.89Å; H173-A212 VanDerWaalsContact NE2-O 3.08Å; S207-A212 WeakPolarHBondContact CB-O 3.49Å; S207-A212 PolarHBondContact N-O 2.82Å; S207-A212 PolarHBondContact OG-N 2.94Å; S210-A212 PolarHBondContact O-N 3.35Å; S210-A212 WeakPolarHBondContact OG-CB 3.43Å; A212-I216 HydrophobicContact CB-CB 4.07Å; A212-I216 HydrophobicContact CB-CG2 3.98Å; A212-E217 HydrophobicContact CB-CG 4.13Å; A212-E217 WeakPolarHBondContact CB-OE2 3.28Å; A212-D241 HydrophobicContact CB-CB 3.92Å
213	T	96.9	Very high	94.5	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.006	9%	0.094	C	C	.	.			trans	-82	162.9	170.9	67.2	0	0	0	0	110.5	N204 K206 L215 I216 E217 L239	N204-T213 WeakPolarHBondContact O-CG2 3.19Å; K206-T213 HydrophobicContact CG-CG2 3.85Å; T213-L215 PolarHBondContact O-N 3.19Å; T213-I216 WeakPolarHBondContact O-CA 3.36Å; T213-I216 WeakPolarHBondContact O-CB 3.48Å; T213-I216 PolarHBondContact O-N 3.07Å; T213-E217 WeakPolarHBondContact O-CG 3.34Å; T213-E217 PolarHBondContact O-N 2.82Å; T213-L239 HydrophobicContact CG2-CB 4.28Å; T213-L239 HydrophobicContact CG2-CD1 3.76Å
214	P	97.7	Very high	94.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-48.5	-34.3	174.4	-31.3	36.5	0	0	0	114.1	L172 V176 V203 E205 E217 A218 L230	L172-P214 HydrophobicContact CD2-CB 3.95Å; L172-P214 HydrophobicContact CD2-CG 3.61Å; L172-P214 HydrophobicContact CG-CB 3.92Å; L172-P214 HydrophobicContact CG-CG 3.78Å; V176-P214 WeakPolarHBondContact CG1-O 3.29Å; V176-P214 HydrophobicContact CG2-CB 4.35Å; V203-P214 WeakPolarHBondContact O-CD 3.39Å; E205-P214 VanDerWaalsContact O-CD 3.28Å; E205-P214 WeakPolarHBondContact O-CD 3.22Å; P214-E217 PolarHBondContact O-N 3.19Å; P214-A218 WeakPolarHBondContact O-CB 3.4Å; P214-A218 PolarHBondContact O-N 3Å; P214-L230 VanDerWaalsContact C-CD1 3.45Å; P214-L230 HydrophobicContact CB-CD1 4.03Å; P214-L230 HydrophobicContact CB-CD2 4.09Å; P214-L230 VanDerWaalsContact O-CD1 3.3Å; P214-L230 WeakPolarHBondContact O-CD1 3.41Å
215	L	98.2	Very high	94.7	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-71	-35.5	178	-173.9	68	0	0	0	112.8	T213 A219 V227 L230 L231 A235 V237 A247 L263	T213-L215 PolarHBondContact O-N 3.19Å; L215-A219 WeakPolarHBondContact O-CB 3.17Å; L215-A219 PolarHBondContact O-N 3.44Å; L215-V227 HydrophobicContact CD1-CB 4.48Å; L215-V227 HydrophobicContact CD1-CG1 4.01Å; L215-L230 HydrophobicContact CB-CD1 4.23Å; L215-L230 HydrophobicContact CD1-CB 4.05Å; L215-L230 HydrophobicContact CD1-CD1 4.23Å; L215-L231 HydrophobicContact CD1-CD2 4.17Å; L215-L231 HydrophobicContact CD1-CG 4.15Å; L215-L231 HydrophobicContact CD2-CD2 3.95Å; L215-A235 HydrophobicContact CB-CB 4.09Å; L215-A235 HydrophobicContact CD1-CB 4.39Å; L215-A235 HydrophobicContact CD2-CB 3.87Å; L215-A235 HydrophobicContact CG-CB 4.35Å; L215-V237 HydrophobicContact CD2-CB 4.21Å; L215-V237 HydrophobicContact CD2-CG1 4.23Å; L215-V237 HydrophobicContact CD2-CG2 4.09Å; L215-A247 HydrophobicContact CD2-CB 4.41Å; L215-A247 HydrophobicContact CG-CB 4.09Å; L215-L263 HydrophobicContact CD1-CD2 3.97Å; L215-L263 HydrophobicContact CD2-CD2 4.15Å; L215-L263 HydrophobicContact CG-CD2 4.11Å
216	I	98	Very high	95	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-68.8	-41.1	173.8	-57.7	177.2	0	0	0	109.7	A212 T213 A219 K220 D241 A247 R250	A212-I216 HydrophobicContact CB-CB 4.07Å; A212-I216 HydrophobicContact CB-CG2 3.98Å; T213-I216 WeakPolarHBondContact O-CA 3.36Å; T213-I216 WeakPolarHBondContact O-CB 3.48Å; T213-I216 PolarHBondContact O-N 3.07Å; I216-A219 WeakPolarHBondContact O-CB 3.42Å; I216-A219 PolarHBondContact O-N 3.33Å; I216-K220 WeakPolarHBondContact O-CG 3.47Å; I216-K220 PolarHBondContact O-N 3.15Å; I216-D241 HydrophobicContact CD1-CB 4.09Å; I216-D241 HydrophobicContact CG2-CB 4.33Å; I216-A247 HydrophobicContact CG1-CB 4.08Å; I216-R250 HydrophobicContact CG2-CB 4.42Å; I216-R250 HydrophobicContact CG2-CG 3.69Å
217	E	97.5	Very high	95.2	Very high	9 Å²	9	18.9 Å²	18.9	4%	0.042	11%	0.114	C	C	.	.	H	α-helix	trans	-64.7	-41	175.9	-55.6	-67	-123	0	0	111.7	V176 R177 A212 T213 P214 A219 K220 T221	V176-E217 HydrophobicContact CG1-CB 3.76Å; R177-E217 IonicContact CZ-OE1 3.56Å; R177-E217 IonicContact NE-OE1 3.38Å; R177-E217 PolarHBondContact NE-OE1 3.26Å; R177-E217 IonicContact NH2-OE1 2.72Å; R177-E217 PolarHBondContact NH2-OE1 2.79Å; A212-E217 HydrophobicContact CB-CG 4.13Å; A212-E217 WeakPolarHBondContact CB-OE2 3.28Å; T213-E217 WeakPolarHBondContact O-CG 3.34Å; T213-E217 PolarHBondContact O-N 2.82Å; P214-E217 PolarHBondContact O-N 3.19Å; E217-A219 VanDerWaalsContact C-N 3.28Å; E217-A219 PolarHBondContact O-N 3.24Å; E217-K220 PolarHBondContact O-N 2.83Å; E217-K220 VanDerWaalsContact OE2-CD 3.32Å; E217-K220 WeakPolarHBondContact OE2-CD 3.45Å; E217-K220 WeakPolarHBondContact OE2-CE 3.3Å; E217-K220 IonicContact OE2-NZ 2.72Å; E217-K220 PolarHBondContact OE2-NZ 3.32Å; E217-T221 PolarHBondContact O-N 2.79Å; E217-T221 VanDerWaalsContact O-N 3.08Å; E217-T221 PolarHBondContact O-OG1 2.89Å
218	A	98.1	Very high	95.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.8	-33	175.6	0	0	0	0	0	112.3	V176 P214 T221 G222 S223 I226 V227 L230	V176-A218 HydrophobicContact CG1-CB 3.68Å; V176-A218 VanDerWaalsContact CG1-N 3.27Å; P214-A218 WeakPolarHBondContact O-CB 3.4Å; P214-A218 PolarHBondContact O-N 3Å; A218-T221 PolarHBondContact O-N 2.58Å; A218-T221 PolarHBondContact O-OG1 3.39Å; A218-G222 PolarHBondContact O-N 2.91Å; A218-S223 PolarHBondContact O-N 2.94Å; A218-I226 HydrophobicContact CB-CB 4.3Å; A218-I226 HydrophobicContact CB-CG2 3.69Å; A218-V227 HydrophobicContact CB-CG2 3.65Å; A218-L230 HydrophobicContact CB-CD1 3.74Å
219	A	98	Very high	95.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-70.4	-38.1	172.1	0	0	0	0	0	112.6	L215 I216 E217 T221 G222 A247 R250 A251 F256 V259 L263	L215-A219 WeakPolarHBondContact O-CB 3.17Å; L215-A219 PolarHBondContact O-N 3.44Å; I216-A219 WeakPolarHBondContact O-CB 3.42Å; I216-A219 PolarHBondContact O-N 3.33Å; E217-A219 VanDerWaalsContact C-N 3.28Å; E217-A219 PolarHBondContact O-N 3.24Å; A219-T221 VanDerWaalsContact C-N 3.29Å; A219-T221 PolarHBondContact O-N 3.34Å; A219-G222 PolarHBondContact O-N 2.88Å; A219-A247 HydrophobicContact CB-CB 4.03Å; A219-A247 VanDerWaalsContact CB-O 3.25Å; A219-A247 WeakPolarHBondContact CB-O 3.43Å; A219-R250 HydrophobicContact CB-CB 4.45Å; A219-A251 HydrophobicContact CB-CB 4.34Å; A219-F256 WeakPolarHBondContact O-CD2 3.45Å; A219-V259 HydrophobicContact CB-CG1 4.23Å; A219-L263 HydrophobicContact CB-CD1 4.28Å
220	K	96.1	Very high	96.2	Very high	59 Å²	59	18.7 Å²	18.7	26%	0.257	10%	0.097	S	C	.	.	H	α-helix	trans	-64.5	-28.5	173	-69.4	176.7	-165.8	160.9	0	113.1	I216 E217 R250	I216-K220 WeakPolarHBondContact O-CG 3.47Å; I216-K220 PolarHBondContact O-N 3.15Å; E217-K220 PolarHBondContact O-N 2.83Å; E217-K220 VanDerWaalsContact OE2-CD 3.32Å; E217-K220 WeakPolarHBondContact OE2-CD 3.45Å; E217-K220 WeakPolarHBondContact OE2-CE 3.3Å; E217-K220 IonicContact OE2-NZ 2.72Å; E217-K220 PolarHBondContact OE2-NZ 3.32Å; K220-R250 HydrophobicContact CG-CB 3.89Å; K220-R250 HydrophobicContact CG-CG 4.01Å
221	T	95.8	Very high	96.4	Very high	49 Å²	49	18.8 Å²	18.8	30%	0.301	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-3.7	178.7	62.5	0	0	0	0	114.5	E217 A218 A219 S223	E217-T221 PolarHBondContact O-N 2.79Å; E217-T221 VanDerWaalsContact O-N 3.08Å; E217-T221 PolarHBondContact O-OG1 2.89Å; A218-T221 PolarHBondContact O-N 2.58Å; A218-T221 PolarHBondContact O-OG1 3.39Å; A219-T221 VanDerWaalsContact C-N 3.29Å; A219-T221 PolarHBondContact O-N 3.34Å; T221-S223 PolarHBondContact O-N 2.9Å; T221-S223 WeakPolarHBondContact OG1-CB 3.45Å; T221-S223 PolarHBondContact OG1-OG 3.45Å
222	G	95.5	Very high	96.6	Very high	12 Å²	12	25 Å²	25	12%	0.124	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	8.9	-178.4	0	0	0	0	0	114.8	A218 A219 N224 H258	A218-G222 PolarHBondContact O-N 2.91Å; A219-G222 PolarHBondContact O-N 2.88Å; G222-N224 PolarHBondContact O-N 3.35Å; G222-H258 PolarHBondContact O-NE2 3.42Å
223	S	96	Very high	96.4	Very high	25 Å²	25	27.5 Å²	27.5	18%	0.175	14%	0.137	C	C	.	.			trans	-78.3	76.9	-169.6	-66.8	0	0	0	0	111.9	A179 A218 T221 D225 I226 V227	A179-S223 WeakPolarHBondContact CB-OG 3.33Å; A218-S223 PolarHBondContact O-N 2.94Å; T221-S223 PolarHBondContact O-N 2.9Å; T221-S223 WeakPolarHBondContact OG1-CB 3.45Å; T221-S223 PolarHBondContact OG1-OG 3.45Å; S223-D225 VanDerWaalsContact C-N 3.28Å; S223-D225 PolarHBondContact O-N 3.03Å; S223-I226 WeakPolarHBondContact O-CA 3.5Å; S223-I226 WeakPolarHBondContact O-CB 3.03Å; S223-I226 PolarHBondContact O-N 3.28Å; S223-V227 PolarHBondContact O-N 3.38Å
224	N	95.8	Very high	96.1	Very high	20 Å²	20	33.5 Å²	33.5	11%	0.107	17%	0.169	C	C	.	.	H	α-helix	trans	-61.2	-31.1	-168	-157.9	24.8	0	0	0	114.7	G222 V227 R228 H258 V259 T262	G222-N224 PolarHBondContact O-N 3.35Å; N224-V227 WeakPolarHBondContact O-CB 3.5Å; N224-V227 PolarHBondContact O-N 3.19Å; N224-R228 PolarHBondContact ND2-NH2 3.19Å; N224-R228 WeakPolarHBondContact O-CG 3.25Å; N224-R228 PolarHBondContact O-N 3.38Å; N224-H258 PolarHBondContact ND2-O 2.87Å; N224-V259 HydrophobicContact CB-CG2 3.89Å; N224-T262 PolarHBondContact ND2-OG1 3.37Å; N224-T262 WeakPolarHBondContact OD1-CB 3.39Å; N224-T262 WeakPolarHBondContact OD1-CG2 3.42Å; N224-T262 PolarHBondContact OD1-OG1 2.54Å; N224-T262 VanDerWaalsContact OD1-OG1 3.08Å
225	D	97.1	Very high	95.9	Very high	83 Å²	83	33.9 Å²	33.9	44%	0.444	17%	0.173	S	C	.	.	H	α-helix	trans	-74.1	-27.2	175.1	-66.8	-32.3	0	0	0	113.1	L181 S223 R228 L229	L181-D225 HydrophobicContact CD1-CB 4.38Å; L181-D225 HydrophobicContact CD2-CB 3.85Å; S223-D225 VanDerWaalsContact C-N 3.28Å; S223-D225 PolarHBondContact O-N 3.03Å; D225-R228 IonicContact OD1-CZ 2.74Å; D225-R228 IonicContact OD1-NH1 3.28Å; D225-R228 PolarHBondContact OD1-NH1 3.25Å; D225-L229 VanDerWaalsContact O-CB 3.26Å; D225-L229 WeakPolarHBondContact O-CB 3.39Å; D225-L229 PolarHBondContact O-N 3.46Å
226	I	98.1	Very high	95.6	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.015	19%	0.191	C	C	.	.	H	α-helix	trans	-70.4	-44.6	167.5	-63.9	-179.5	0	0	0	109	V176 L181 V184 A218 S223 R228 L229 L230	V176-I226 HydrophobicContact CG1-CG2 4.18Å; V176-I226 HydrophobicContact CG2-CG2 3.81Å; L181-I226 HydrophobicContact CB-CD1 4.34Å; L181-I226 HydrophobicContact CB-CG1 4Å; L181-I226 HydrophobicContact CD1-CG1 3.72Å; L181-I226 HydrophobicContact CG-CG1 4.44Å; V184-I226 HydrophobicContact CG2-CD1 4.36Å; V184-I226 HydrophobicContact CG2-CG2 4.41Å; A218-I226 HydrophobicContact CB-CB 4.3Å; A218-I226 HydrophobicContact CB-CG2 3.69Å; S223-I226 WeakPolarHBondContact O-CA 3.5Å; S223-I226 WeakPolarHBondContact O-CB 3.03Å; S223-I226 PolarHBondContact O-N 3.28Å; I226-R228 VanDerWaalsContact C-N 3.34Å; I226-R228 PolarHBondContact O-N 3.06Å; I226-L229 PolarHBondContact O-N 3.03Å; I226-L230 HydrophobicContact CG2-CD1 3.88Å; I226-L230 HydrophobicContact CG2-CG 4.07Å; I226-L230 WeakPolarHBondContact O-CB 3.34Å; I226-L230 VanDerWaalsContact O-CG 3.23Å; I226-L230 WeakPolarHBondContact O-CG 3.15Å; I226-L230 PolarHBondContact O-N 3.24Å
227	V	97.7	Very high	95.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-54.9	-48.8	175.8	171.1	0	0	0	0	111	L215 A218 S223 N224 L230 L231 V259 T262 L263	L215-V227 HydrophobicContact CD1-CB 4.48Å; L215-V227 HydrophobicContact CD1-CG1 4.01Å; A218-V227 HydrophobicContact CB-CG2 3.65Å; S223-V227 PolarHBondContact O-N 3.38Å; N224-V227 WeakPolarHBondContact O-CB 3.5Å; N224-V227 PolarHBondContact O-N 3.19Å; V227-L230 PolarHBondContact O-N 3.24Å; V227-L231 HydrophobicContact CG1-CD1 3.99Å; V227-L231 WeakPolarHBondContact O-CG 3.14Å; V227-L231 PolarHBondContact O-N 3.49Å; V227-V259 HydrophobicContact CG1-CG1 4.39Å; V227-V259 HydrophobicContact CG2-CG1 3.9Å; V227-T262 HydrophobicContact CG1-CG2 4.28Å; V227-L263 HydrophobicContact CG1-CD2 3.78Å; V227-L263 HydrophobicContact CG1-CG 4.11Å
228	R	96.3	Very high	95.1	Very high	96 Å²	96	40 Å²	40	36%	0.362	21%	0.211	S	C	.	.	H	α-helix	trans	-57.3	-51.4	174	-70.1	167.5	-175.9	160.3	-6.8	112.2	N224 D225 I226 L230 L231 E232 T262	N224-R228 PolarHBondContact ND2-NH2 3.19Å; N224-R228 WeakPolarHBondContact O-CG 3.25Å; N224-R228 PolarHBondContact O-N 3.38Å; D225-R228 IonicContact OD1-CZ 2.74Å; D225-R228 IonicContact OD1-NH1 3.28Å; D225-R228 PolarHBondContact OD1-NH1 3.25Å; I226-R228 VanDerWaalsContact C-N 3.34Å; I226-R228 PolarHBondContact O-N 3.06Å; R228-L230 VanDerWaalsContact C-N 3.31Å; R228-L230 PolarHBondContact O-N 2.91Å; R228-L231 WeakPolarHBondContact O-CB 3.5Å; R228-L231 PolarHBondContact O-N 3.08Å; R228-L231 VanDerWaalsContact O-N 3.09Å; R228-E232 VanDerWaalsContact O-CG 3.31Å; R228-E232 WeakPolarHBondContact O-CG 3.43Å; R228-E232 PolarHBondContact O-N 3.18Å; R228-T262 HydrophobicContact CG-CG2 3.76Å
229	L	96.9	Very high	94.9	Very high	15 Å²	15	41 Å²	41	8%	0.079	22%	0.216	C	C	.	.	H	α-helix	trans	-60.3	-38.5	-178.8	-177.8	64.5	0	0	0	112.4	L181 V184 R185 F188 D225 I226 H233	L181-L229 HydrophobicContact CD1-CD2 3.82Å; V184-L229 HydrophobicContact CB-CD2 4.27Å; V184-L229 HydrophobicContact CG1-CD2 3.66Å; V184-L229 HydrophobicContact CG1-CG 4.44Å; R185-L229 HydrophobicContact CG-CD1 4.45Å; R185-L229 HydrophobicContact CG-CD2 3.45Å; R185-L229 VanDerWaalsContact CG-CD2 3.45Å; F188-L229 HydrophobicContact CD2-CD1 4.32Å; F188-L229 HydrophobicContact CD2-CD2 4.46Å; F188-L229 HydrophobicContact CD2-CG 4.09Å; F188-L229 HydrophobicContact CE2-CG 4Å; D225-L229 VanDerWaalsContact O-CB 3.26Å; D225-L229 WeakPolarHBondContact O-CB 3.39Å; D225-L229 PolarHBondContact O-N 3.46Å; I226-L229 PolarHBondContact O-N 3.03Å; L229-H233 PolarHBondContact O-N 3.41Å; L229-H233 PolarHBondContact O-ND1 3.19Å
230	L	96.9	Very high	94.6	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-67.2	-41.8	174.6	-66.1	176.4	0	0	0	111.5	L172 V176 V184 F188 P214 L215 A218 I226 V227 R228 H233 N234 A235	L172-L230 HydrophobicContact CD1-CD2 4.26Å; L172-L230 HydrophobicContact CD2-CD2 4.45Å; V176-L230 HydrophobicContact CG2-CD1 4.48Å; V184-L230 HydrophobicContact CG1-CD2 4.44Å; F188-L230 HydrophobicContact CE1-CD2 4.4Å; F188-L230 HydrophobicContact CE2-CD2 4.18Å; F188-L230 HydrophobicContact CZ-CD2 3.54Å; P214-L230 VanDerWaalsContact C-CD1 3.45Å; P214-L230 HydrophobicContact CB-CD1 4.03Å; P214-L230 HydrophobicContact CB-CD2 4.09Å; P214-L230 VanDerWaalsContact O-CD1 3.3Å; P214-L230 WeakPolarHBondContact O-CD1 3.41Å; L215-L230 HydrophobicContact CB-CD1 4.23Å; L215-L230 HydrophobicContact CD1-CB 4.05Å; L215-L230 HydrophobicContact CD1-CD1 4.23Å; A218-L230 HydrophobicContact CB-CD1 3.74Å; I226-L230 HydrophobicContact CG2-CD1 3.88Å; I226-L230 HydrophobicContact CG2-CG 4.07Å; I226-L230 WeakPolarHBondContact O-CB 3.34Å; I226-L230 VanDerWaalsContact O-CG 3.23Å; I226-L230 WeakPolarHBondContact O-CG 3.15Å; I226-L230 PolarHBondContact O-N 3.24Å; V227-L230 PolarHBondContact O-N 3.24Å; R228-L230 VanDerWaalsContact C-N 3.31Å; R228-L230 PolarHBondContact O-N 2.91Å; L230-H233 CarbonylContact O-C 3.5Å; L230-H233 PolarHBondContact O-N 3.04Å; L230-N234 PolarHBondContact O-N 3.47Å; L230-A235 HydrophobicContact CB-CB 4.02Å; L230-A235 WeakPolarHBondContact O-CB 3.33Å; L230-A235 PolarHBondContact O-N 2.94Å
231	L	92.9	Very high	94.5	Very high	21 Å²	21	41.3 Å²	41.3	11%	0.11	22%	0.215	C	C	.	.	H	α-helix	trans	-64.5	-40.3	176.3	-68.3	172.3	0	0	0	112.3	L215 V227 R228 H233 N234 V237 T262 V266	L215-L231 HydrophobicContact CD1-CD2 4.17Å; L215-L231 HydrophobicContact CD1-CG 4.15Å; L215-L231 HydrophobicContact CD2-CD2 3.95Å; V227-L231 HydrophobicContact CG1-CD1 3.99Å; V227-L231 WeakPolarHBondContact O-CG 3.14Å; V227-L231 PolarHBondContact O-N 3.49Å; R228-L231 WeakPolarHBondContact O-CB 3.5Å; R228-L231 PolarHBondContact O-N 3.08Å; R228-L231 VanDerWaalsContact O-N 3.09Å; L231-H233 PolarHBondContact O-N 3.26Å; L231-N234 PolarHBondContact O-N 3.47Å; L231-V237 HydrophobicContact CD2-CG2 3.31Å; L231-T262 HydrophobicContact CD1-CG2 4.49Å; L231-V266 HydrophobicContact CD1-CB 4.13Å; L231-V266 HydrophobicContact CD1-CG1 4.17Å
232	E	92.8	Very high	94.1	Very high	130 Å²	130	40.2 Å²	40.2	61%	0.607	21%	0.209	S	C	*	.	H	α-helix	trans	-57.9	-28.5	173.2	-73.3	161.5	-165.8	0	0	112.4	R228	R228-E232 VanDerWaalsContact O-CG 3.31Å; R228-E232 WeakPolarHBondContact O-CG 3.43Å; R228-E232 PolarHBondContact O-N 3.18Å
233	H	93.2	Very high	93.6	Very high	53 Å²	53	39.7 Å²	39.7	25%	0.245	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	26.2	177.7	-63	77.1	0	0	0	112.9	F188 V203 L229 L230 L231	F188-H233 HydrophobicContact CD2-CB 4.25Å; F188-H233 AromaticContact CD2-CD2 3.77Å; F188-H233 AromaticContact CD2-CE1 3.67Å; F188-H233 AromaticContact CD2-CG 3.56Å; F188-H233 AromaticContact CD2-ND1 3.48Å; F188-H233 WeakPolarHBondContact CD2-ND1 3.45Å; F188-H233 AromaticContact CD2-NE2 3.83Å; F188-H233 HydrophobicContact CE2-CB 3.68Å; F188-H233 AromaticContact CE2-CG 3.42Å; F188-H233 VanDerWaalsContact CE2-CG 3.42Å; F188-H233 AromaticContact CE2-ND1 3.4Å; F188-H233 WeakPolarHBondContact CE2-ND1 3.4Å; F188-H233 HydrophobicContact CZ-CB 3.99Å; V203-H233 HydrophobicContact CG2-CB 4.17Å; L229-H233 PolarHBondContact O-N 3.41Å; L229-H233 PolarHBondContact O-ND1 3.19Å; L230-H233 CarbonylContact O-C 3.5Å; L230-H233 PolarHBondContact O-N 3.04Å; L231-H233 PolarHBondContact O-N 3.26Å
234	N	89.3	Confident	93.2	Very high	127 Å²	127	38.5 Å²	38.5	68%	0.679	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.1	42.1	175	-54	-73.5	0	0	0	115.2	N204 L230 L231 S236	N204-N234 PolarHBondContact ND2-O 3.31Å; N204-N234 VanDerWaalsContact ND2-O 3.12Å; L230-N234 PolarHBondContact O-N 3.47Å; L231-N234 PolarHBondContact O-N 3.47Å; N234-S236 PolarHBondContact O-N 2.89Å
235	A	94.7	Very high	93.1	Very high	8 Å²	8	38.2 Å²	38.2	7%	0.066	19%	0.194	C	C	.	.			trans	-62.9	132.4	166.9	0	0	0	0	0	112.4	V203 N204 L215 L230 V237	V203-A235 HydrophobicContact CG1-CB 3.64Å; N204-A235 WeakPolarHBondContact OD1-CA 3.42Å; L215-A235 HydrophobicContact CB-CB 4.09Å; L215-A235 HydrophobicContact CD1-CB 4.39Å; L215-A235 HydrophobicContact CD2-CB 3.87Å; L215-A235 HydrophobicContact CG-CB 4.35Å; L230-A235 HydrophobicContact CB-CB 4.02Å; L230-A235 WeakPolarHBondContact O-CB 3.33Å; L230-A235 PolarHBondContact O-N 2.94Å; A235-V237 VanDerWaalsContact O-CG2 3.3Å; A235-V237 WeakPolarHBondContact O-CG2 3.3Å; A235-V237 PolarHBondContact O-N 3.39Å
236	S	91.6	Very high	93.1	Very high	57 Å²	57	34.3 Å²	34.3	40%	0.399	17%	0.172	S	C	.	.			trans	-82	96.6	-176.3	-67.2	0	0	0	0	110.4	N204 N234 N238 L239	N204-S236 PolarHBondContact ND2-OG 2.99Å; N204-S236 VanDerWaalsContact OD1-CB 3.29Å; N204-S236 WeakPolarHBondContact OD1-CB 3.42Å; N204-S236 PolarHBondContact OD1-N 3Å; N204-S236 PolarHBondContact OD1-OG 3.19Å; N234-S236 PolarHBondContact O-N 2.89Å; S236-N238 VanDerWaalsContact C-N 3.28Å; S236-N238 PolarHBondContact O-N 2.86Å; S236-L239 PolarHBondContact O-N 2.92Å
237	V	92.8	Very high	93.1	Very high	14 Å²	14	34.1 Å²	34.1	9%	0.085	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-26.6	-162.7	-166.7	0	0	0	0	115	L215 L231 A235 L263 G267 A269	L215-V237 HydrophobicContact CD2-CB 4.21Å; L215-V237 HydrophobicContact CD2-CG1 4.23Å; L215-V237 HydrophobicContact CD2-CG2 4.09Å; L231-V237 HydrophobicContact CD2-CG2 3.31Å; A235-V237 VanDerWaalsContact O-CG2 3.3Å; A235-V237 WeakPolarHBondContact O-CG2 3.3Å; A235-V237 PolarHBondContact O-N 3.39Å; V237-L263 HydrophobicContact CG1-CD2 4.05Å; V237-G267 WeakPolarHBondContact CG2-O 3.23Å; V237-A269 HydrophobicContact CG1-CB 3.64Å
238	N	92.5	Very high	93.1	Very high	69 Å²	69	34.2 Å²	34.2	37%	0.369	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	6.4	-172.5	-67.8	-37.2	0	0	0	113.9	S236 N270 I273	S236-N238 VanDerWaalsContact C-N 3.28Å; S236-N238 PolarHBondContact O-N 2.86Å; N238-N270 PolarHBondContact OD1-N 3.14Å; N238-I273 HydrophobicContact CB-CD1 3.56Å; N238-I273 WeakPolarHBondContact OD1-CD1 3.23Å
239	L	93.3	Very high	93.2	Very high	21 Å²	21	29.7 Å²	29.7	11%	0.11	16%	0.155	C	C	.	.			trans	-64.9	149.9	172.2	-67.8	177.1	0	0	0	111.3	P161 H162 N204 T213 S236 T246	P161-L239 HydrophobicContact CB-CD1 4.09Å; H162-L239 HydrophobicContact CB-CD2 3.73Å; N204-L239 HydrophobicContact CB-CD1 4.32Å; T213-L239 HydrophobicContact CG2-CB 4.28Å; T213-L239 HydrophobicContact CG2-CD1 3.76Å; S236-L239 PolarHBondContact O-N 2.92Å; L239-T246 VanDerWaalsContact O-CA 3.31Å; L239-T246 WeakPolarHBondContact O-CA 3.39Å; L239-T246 WeakPolarHBondContact O-CB 3.3Å
240	R	92.2	Very high	93.3	Very high	63 Å²	63	30.9 Å²	30.9	24%	0.238	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-108	148.2	-180	-65.7	176	171.6	138.3	-13.6	111.5	K206 G244 F245 T246 K274	K206-R240 PolarHBondContact NZ-O 2.79Å; R240-G244 VanDerWaalsContact CD-O 3.26Å; R240-G244 WeakPolarHBondContact CD-O 3.43Å; R240-G244 VanDerWaalsContact CG-O 3.28Å; R240-G244 WeakPolarHBondContact CG-O 3.45Å; R240-F245 CarbonylContact C-O 3.58Å; R240-F245 WeakPolarHBondContact CA-O 3.47Å; R240-T246 HydrophobicContact CG-CG2 3.89Å; R240-K274 PolarHBondContact NH2-O 3.41Å
241	D	93.1	Very high	93.3	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	16%	0.159	C	C	.	.			trans	-82.5	-176.2	167.9	72.6	15.6	0	0	0	112.7	A212 I216 G243 G244 F245 R250	A212-D241 HydrophobicContact CB-CB 3.92Å; I216-D241 HydrophobicContact CD1-CB 4.09Å; I216-D241 HydrophobicContact CG2-CB 4.33Å; D241-G243 PolarHBondContact O-N 3.26Å; D241-G243 WeakPolarHBondContact OD1-CA 3.29Å; D241-G243 PolarHBondContact OD1-N 3.4Å; D241-G244 PolarHBondContact O-N 3.01Å; D241-G244 PolarHBondContact OD1-N 2.93Å; D241-F245 PolarHBondContact N-O 3.48Å; D241-F245 PolarHBondContact OD1-N 2.76Å; D241-R250 IonicContact OD1-NH2 2.68Å; D241-R250 PolarHBondContact OD1-NH2 3.32Å; D241-R250 IonicContact OD2-CZ 2.65Å; D241-R250 IonicContact OD2-NE 2.78Å; D241-R250 PolarHBondContact OD2-NE 3.21Å; D241-R250 IonicContact OD2-NH2 3.09Å; D241-R250 PolarHBondContact OD2-NH2 2.97Å
242	C	86.7	Confident	93.6	Very high	26 Å²	26	29.9 Å²	29.9	18%	0.176	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-19.8	-179	74.8	0	0	0	0	113.9	V165 Y166 S210 G244	V165-C242 HydrophobicContact CG1-CB 3.74Å; Y166-C242 HydrophobicContact CE1-CB 3.9Å; S210-C242 VanDerWaalsContact O-CB 3.29Å; S210-C242 WeakPolarHBondContact O-CB 3.43Å; S210-C242 PolarHBondContact O-N 3.29Å; S210-C242 PolarHBondContact O-SG 3.27Å; C242-G244 VanDerWaalsContact C-N 3.27Å
243	G	86	Confident	93.8	Very high	1 Å²	1	24 Å²	24	1%	0.01	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	5.6	170.4	0	0	0	0	0	113.2	D241 F245 C275 F277	D241-G243 PolarHBondContact O-N 3.26Å; D241-G243 WeakPolarHBondContact OD1-CA 3.29Å; D241-G243 PolarHBondContact OD1-N 3.4Å; G243-F245 VanDerWaalsContact C-N 3.26Å; G243-F245 WeakPolarHBondContact O-CD2 3.46Å; G243-F245 VanDerWaalsContact O-CE2 3.3Å; G243-F245 WeakPolarHBondContact O-CE2 3.31Å; G243-F245 PolarHBondContact O-N 3.38Å; G243-C275 PolarHBondContact O-SG 3.35Å; G243-C275 VanDerWaalsContact O-SG 3.34Å; G243-F277 WeakPolarHBondContact O-CD2 3.23Å
244	G	86.4	Confident	93.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	78.9	4.8	179.5	0	0	0	0	0	114.6	R240 D241 C242	R240-G244 VanDerWaalsContact CD-O 3.26Å; R240-G244 WeakPolarHBondContact CD-O 3.43Å; R240-G244 VanDerWaalsContact CG-O 3.28Å; R240-G244 WeakPolarHBondContact CG-O 3.45Å; D241-G244 PolarHBondContact O-N 3.01Å; D241-G244 PolarHBondContact OD1-N 2.93Å; C242-G244 VanDerWaalsContact C-N 3.27Å
245	F	95.1	Very high	94.3	Very high	15 Å²	15	22.5 Å²	22.5	7%	0.066	12%	0.119	C	C	.	.			trans	-93.1	135.6	-173.6	-63.8	-71.2	0	0	0	111.8	P38 R240 D241 G243 H249 R250 C275 E285	P38-F245 HydrophobicContact CB-CZ 4.27Å; R240-F245 CarbonylContact C-O 3.58Å; R240-F245 WeakPolarHBondContact CA-O 3.47Å; D241-F245 PolarHBondContact N-O 3.48Å; D241-F245 PolarHBondContact OD1-N 2.76Å; G243-F245 VanDerWaalsContact C-N 3.26Å; G243-F245 WeakPolarHBondContact O-CD2 3.46Å; G243-F245 VanDerWaalsContact O-CE2 3.3Å; G243-F245 WeakPolarHBondContact O-CE2 3.31Å; G243-F245 PolarHBondContact O-N 3.38Å; F245-H249 HydrophobicContact CB-CB 3.89Å; F245-H249 HydrophobicContact CD1-CB 3.82Å; F245-H249 AromaticContact CD1-CD2 3.92Å; F245-H249 HydrophobicContact CG-CB 4.31Å; F245-R250 HydrophobicContact CB-CG 4.37Å; F245-R250 VanDerWaalsContact CD2-CZ 3.46Å; F245-C275 HydrophobicContact CD1-CB 4.31Å; F245-C275 HydrophobicContact CE1-CB 4.08Å; F245-E285 HydrophobicContact CE1-CG 4.39Å
246	T	96.8	Very high	94.4	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-84.1	171.1	172.7	71.8	0	0	0	0	112	L239 R240 L248 H249 R250 I273	L239-T246 VanDerWaalsContact O-CA 3.31Å; L239-T246 WeakPolarHBondContact O-CA 3.39Å; L239-T246 WeakPolarHBondContact O-CB 3.3Å; R240-T246 HydrophobicContact CG-CG2 3.89Å; T246-L248 PolarHBondContact O-N 2.91Å; T246-L248 PolarHBondContact OG1-N 3.13Å; T246-H249 PolarHBondContact N-ND1 3.4Å; T246-H249 WeakPolarHBondContact O-CB 3.29Å; T246-H249 PolarHBondContact O-N 2.82Å; T246-H249 PolarHBondContact OG1-ND1 2.92Å; T246-R250 PolarHBondContact O-N 2.82Å; T246-I273 HydrophobicContact CG2-CB 4.5Å; T246-I273 HydrophobicContact CG2-CD1 4.21Å; T246-I273 HydrophobicContact CG2-CG2 3.87Å
247	A	98.1	Very high	94.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-53.7	-37.1	174.7	0	0	0	0	0	112.3	L215 I216 A219 R250 A251 L263	L215-A247 HydrophobicContact CD2-CB 4.41Å; L215-A247 HydrophobicContact CG-CB 4.09Å; I216-A247 HydrophobicContact CG1-CB 4.08Å; A219-A247 HydrophobicContact CB-CB 4.03Å; A219-A247 VanDerWaalsContact CB-O 3.25Å; A219-A247 WeakPolarHBondContact CB-O 3.43Å; A247-R250 PolarHBondContact O-N 2.87Å; A247-A251 PolarHBondContact O-N 2.96Å; A247-L263 HydrophobicContact CB-CD1 3.95Å; A247-L263 HydrophobicContact CB-CD2 4.05Å
248	L	98.1	Very high	94.8	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-65.8	-42.2	176.8	-178.1	61.5	0	0	0	112	T246 R250 A251 C252 A260 L264 A269 P271 A282 L298	T246-L248 PolarHBondContact O-N 2.91Å; T246-L248 PolarHBondContact OG1-N 3.13Å; L248-R250 VanDerWaalsContact C-N 3.35Å; L248-R250 PolarHBondContact O-N 3.19Å; L248-A251 PolarHBondContact O-N 3.25Å; L248-C252 WeakPolarHBondContact O-CB 3.37Å; L248-C252 PolarHBondContact O-N 3.37Å; L248-C252 PolarHBondContact O-SG 3.25Å; L248-A260 HydrophobicContact CD1-CB 3.79Å; L248-L264 HydrophobicContact CD1-CD1 4.05Å; L248-L264 HydrophobicContact CD1-CD2 4.38Å; L248-L264 HydrophobicContact CD1-CG 3.95Å; L248-L264 HydrophobicContact CD2-CD2 3.77Å; L248-L264 HydrophobicContact CD2-CG 4.27Å; L248-A269 HydrophobicContact CB-CB 4.29Å; L248-A269 HydrophobicContact CD2-CB 4.01Å; L248-P271 HydrophobicContact CD2-CB 4.25Å; L248-A282 HydrophobicContact CD2-CB 4.16Å; L248-A282 HydrophobicContact CG-CB 3.9Å; L248-L298 HydrophobicContact CD1-CD2 4.15Å; L248-L298 HydrophobicContact CD2-CD2 3.9Å; L248-L298 HydrophobicContact CG-CD2 4.19Å
249	H	98.2	Very high	95	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-61	-44.6	174.4	-66.9	78.2	0	0	0	111	F245 T246 C252 Q253 I273 N280 A282	F245-H249 HydrophobicContact CB-CB 3.89Å; F245-H249 HydrophobicContact CD1-CB 3.82Å; F245-H249 AromaticContact CD1-CD2 3.92Å; F245-H249 HydrophobicContact CG-CB 4.31Å; T246-H249 PolarHBondContact N-ND1 3.4Å; T246-H249 WeakPolarHBondContact O-CB 3.29Å; T246-H249 PolarHBondContact O-N 2.82Å; T246-H249 PolarHBondContact OG1-ND1 2.92Å; H249-C252 PolarHBondContact O-N 3.25Å; H249-Q253 WeakPolarHBondContact O-CB 3.39Å; H249-Q253 WeakPolarHBondContact O-CG 3.49Å; H249-Q253 PolarHBondContact O-N 3.44Å; H249-I273 PolarHBondContact CE1-O 2.85Å; H249-I273 PolarHBondContact NE2-O 3.37Å; H249-I273 VanDerWaalsContact NE2-O 3.16Å; H249-N280 PolarHBondContact NE2-O 2.72Å; H249-A282 PolarHBondContact NE2-N 2.86Å
250	R	97.7	Very high	95.2	Very high	41 Å²	41	22.6 Å²	22.6	16%	0.155	11%	0.11	C	C	.	.	H	α-helix	trans	-66.7	-37	179.3	-64.2	-47	-164.4	173.4	2.1	113.1	I216 A219 K220 D241 F245 T246 A247 L248 K254	I216-R250 HydrophobicContact CG2-CB 4.42Å; I216-R250 HydrophobicContact CG2-CG 3.69Å; A219-R250 HydrophobicContact CB-CB 4.45Å; K220-R250 HydrophobicContact CG-CB 3.89Å; K220-R250 HydrophobicContact CG-CG 4.01Å; D241-R250 IonicContact OD1-NH2 2.68Å; D241-R250 PolarHBondContact OD1-NH2 3.32Å; D241-R250 IonicContact OD2-CZ 2.65Å; D241-R250 IonicContact OD2-NE 2.78Å; D241-R250 PolarHBondContact OD2-NE 3.21Å; D241-R250 IonicContact OD2-NH2 3.09Å; D241-R250 PolarHBondContact OD2-NH2 2.97Å; F245-R250 HydrophobicContact CB-CG 4.37Å; F245-R250 VanDerWaalsContact CD2-CZ 3.46Å; T246-R250 PolarHBondContact O-N 2.82Å; A247-R250 PolarHBondContact O-N 2.87Å; L248-R250 VanDerWaalsContact C-N 3.35Å; L248-R250 PolarHBondContact O-N 3.19Å; R250-K254 WeakPolarHBondContact O-CG 3.16Å; R250-K254 PolarHBondContact O-N 2.74Å
251	A	98.1	Very high	95.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.1	-46.4	171.5	0	0	0	0	0	111.3	A219 A247 L248 K254 S255 F256 V259 A260 L263	A219-A251 HydrophobicContact CB-CB 4.34Å; A247-A251 PolarHBondContact O-N 2.96Å; L248-A251 PolarHBondContact O-N 3.25Å; A251-K254 CarbonylContact O-C 3.59Å; A251-K254 PolarHBondContact O-N 3.2Å; A251-S255 PolarHBondContact O-N 3.28Å; A251-F256 PolarHBondContact O-N 2.84Å; A251-V259 HydrophobicContact CB-CB 4.23Å; A251-V259 HydrophobicContact CB-CG1 3.87Å; A251-A260 HydrophobicContact CB-CB 4.21Å; A251-L263 HydrophobicContact CB-CD1 4.09Å
252	C	97.8	Very high	95.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-67.2	-38.9	178.5	-65.5	0	0	0	0	113.2	L248 H249 K254 S255 A286 H291 C294	L248-C252 WeakPolarHBondContact O-CB 3.37Å; L248-C252 PolarHBondContact O-N 3.37Å; L248-C252 PolarHBondContact O-SG 3.25Å; H249-C252 PolarHBondContact O-N 3.25Å; C252-K254 PolarHBondContact O-N 2.98Å; C252-S255 PolarHBondContact O-N 3.29Å; C252-A286 HydrophobicContact CB-CB 4.22Å; C252-H291 PolarHBondContact O-ND1 2.83Å; C252-C294 HydrophobicContact CB-CB 4.29Å
253	Q	97.1	Very high	95.6	Very high	7 Å²	7	21.6 Å²	21.6	3%	0.033	11%	0.106	C	C	.	.	H	α-helix	trans	-65.2	-20.5	173.9	-76.3	172.9	-14.1	0	0	113.7	H249 E285 L289	H249-Q253 WeakPolarHBondContact O-CB 3.39Å; H249-Q253 WeakPolarHBondContact O-CG 3.49Å; H249-Q253 PolarHBondContact O-N 3.44Å; Q253-E285 HydrophobicContact CG-CB 4.17Å; Q253-E285 HydrophobicContact CG-CG 4.42Å; Q253-E285 PolarHBondContact NE2-OE2 3.28Å; Q253-L289 HydrophobicContact CB-CD1 4.22Å; Q253-L289 HydrophobicContact CG-CD1 4.1Å
254	K	96.2	Very high	95.8	Very high	97 Å²	97	21.7 Å²	21.7	42%	0.422	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	14	176.1	-62.6	-62.1	-175.4	-176	0	113.4	R250 A251 C252 F256	R250-K254 WeakPolarHBondContact O-CG 3.16Å; R250-K254 PolarHBondContact O-N 2.74Å; A251-K254 CarbonylContact O-C 3.59Å; A251-K254 PolarHBondContact O-N 3.2Å; C252-K254 PolarHBondContact O-N 2.98Å; K254-F256 HydrophobicContact CB-CD2 3.47Å; K254-F256 VanDerWaalsContact CB-CD2 3.47Å; K254-F256 HydrophobicContact CB-CE2 3.42Å; K254-F256 VanDerWaalsContact CB-CE2 3.42Å; K254-F256 HydrophobicContact CB-CG 4.2Å; K254-F256 HydrophobicContact CB-CZ 4.12Å; K254-F256 HydrophobicContact CG-CE2 4.21Å; K254-F256 WeakPolarHBondContact O-CD1 3.16Å; K254-F256 PolarHBondContact O-N 3.24Å; K254-F256 VanDerWaalsContact O-N 3.13Å
255	S	97	Very high	95.8	Very high	50 Å²	50	26.2 Å²	26.2	35%	0.35	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	20.3	-179.2	-146.6	0	0	0	0	115.4	A251 C252 A257 H291	A251-S255 PolarHBondContact O-N 3.28Å; C252-S255 PolarHBondContact O-N 3.29Å; S255-A257 VanDerWaalsContact C-N 3.29Å; S255-A257 PolarHBondContact O-N 3.32Å; S255-H291 PolarHBondContact OG-CD2 2.83Å
256	F	97.6	Very high	95.2	Very high	62 Å²	62	28.9 Å²	28.9	27%	0.272	14%	0.141	S	C	.	.			trans	-84.5	68.4	-177.5	-62.2	-39.8	0	0	0	111.7	A219 A251 K254 H258 V259 A260	A219-F256 WeakPolarHBondContact O-CD2 3.45Å; A251-F256 PolarHBondContact O-N 2.84Å; K254-F256 HydrophobicContact CB-CD2 3.47Å; K254-F256 VanDerWaalsContact CB-CD2 3.47Å; K254-F256 HydrophobicContact CB-CE2 3.42Å; K254-F256 VanDerWaalsContact CB-CE2 3.42Å; K254-F256 HydrophobicContact CB-CG 4.2Å; K254-F256 HydrophobicContact CB-CZ 4.12Å; K254-F256 HydrophobicContact CG-CE2 4.21Å; K254-F256 WeakPolarHBondContact O-CD1 3.16Å; K254-F256 PolarHBondContact O-N 3.24Å; K254-F256 VanDerWaalsContact O-N 3.13Å; F256-H258 AromaticContact CD1-CE1 3.78Å; F256-H258 AromaticContact CG-CE1 3.99Å; F256-H258 PolarHBondContact O-N 3.32Å; F256-V259 HydrophobicContact CB-CB 4.03Å; F256-V259 HydrophobicContact CB-CG2 4.22Å; F256-V259 PolarHBondContact O-N 3.45Å; F256-A260 PolarHBondContact O-N 3.17Å
257	A	96.3	Very high	94.5	Very high	21 Å²	21	29.6 Å²	29.6	17%	0.174	15%	0.148	C	C	.	.	H	α-helix	trans	-56.1	-34.7	-178.1	0	0	0	0	0	113.3	S255 V259 A260 E261 D293	S255-A257 VanDerWaalsContact C-N 3.29Å; S255-A257 PolarHBondContact O-N 3.32Å; A257-V259 VanDerWaalsContact C-N 3.35Å; A257-V259 PolarHBondContact O-N 3.23Å; A257-A260 PolarHBondContact O-N 3.25Å; A257-E261 WeakPolarHBondContact O-CB 3.23Å; A257-E261 PolarHBondContact O-N 2.65Å; A257-D293 HydrophobicContact CB-CB 3.77Å
258	H	95.9	Very high	93.8	Very high	88 Å²	88	35.3 Å²	35.3	41%	0.407	17%	0.169	S	C	.	.	H	α-helix	trans	-66.4	-32.4	175.4	63.7	-57	0	0	0	113.5	G222 N224 F256 T262	G222-H258 PolarHBondContact O-NE2 3.42Å; N224-H258 PolarHBondContact ND2-O 2.87Å; F256-H258 AromaticContact CD1-CE1 3.78Å; F256-H258 AromaticContact CG-CE1 3.99Å; F256-H258 PolarHBondContact O-N 3.32Å; H258-T262 WeakPolarHBondContact O-CB 3.39Å; H258-T262 PolarHBondContact O-N 2.99Å; H258-T262 PolarHBondContact O-OG1 2.96Å
259	V	97.7	Very high	93.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-77.9	-42.9	172.3	172	0	0	0	0	110.4	A219 N224 V227 A251 F256 A257 E261 T262 L263	A219-V259 HydrophobicContact CB-CG1 4.23Å; N224-V259 HydrophobicContact CB-CG2 3.89Å; V227-V259 HydrophobicContact CG1-CG1 4.39Å; V227-V259 HydrophobicContact CG2-CG1 3.9Å; A251-V259 HydrophobicContact CB-CB 4.23Å; A251-V259 HydrophobicContact CB-CG1 3.87Å; F256-V259 HydrophobicContact CB-CB 4.03Å; F256-V259 HydrophobicContact CB-CG2 4.22Å; F256-V259 PolarHBondContact O-N 3.45Å; A257-V259 VanDerWaalsContact C-N 3.35Å; A257-V259 PolarHBondContact O-N 3.23Å; V259-E261 VanDerWaalsContact C-N 3.31Å; V259-E261 PolarHBondContact O-N 3.22Å; V259-T262 PolarHBondContact O-N 2.68Å; V259-T262 VanDerWaalsContact O-N 3.09Å; V259-L263 HydrophobicContact CG1-CD1 3.82Å; V259-L263 HydrophobicContact CG1-CG 4.17Å; V259-L263 VanDerWaalsContact O-CG 3.32Å; V259-L263 WeakPolarHBondContact O-CG 3.47Å; V259-L263 PolarHBondContact O-N 3.48Å
260	A	97.2	Very high	93	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-55.8	-46.9	174.6	0	0	0	0	0	110.9	L248 A251 F256 A257 T262 L263 L264	L248-A260 HydrophobicContact CD1-CB 3.79Å; A251-A260 HydrophobicContact CB-CB 4.21Å; F256-A260 PolarHBondContact O-N 3.17Å; A257-A260 PolarHBondContact O-N 3.25Å; A260-T262 VanDerWaalsContact C-N 3.33Å; A260-T262 PolarHBondContact O-N 2.78Å; A260-L263 PolarHBondContact O-N 3.12Å; A260-L264 WeakPolarHBondContact O-CB 3.34Å; A260-L264 WeakPolarHBondContact O-CD1 3.4Å; A260-L264 VanDerWaalsContact O-CG 3.22Å; A260-L264 WeakPolarHBondContact O-CG 3.5Å; A260-L264 PolarHBondContact O-N 3.47Å
261	E	94.1	Very high	92.8	Very high	67 Å²	67	35.5 Å²	35.5	31%	0.313	17%	0.174	S	C	.	.	H	α-helix	trans	-59.4	-42.6	174.8	-163.3	-147.6	134.2	0	0	111.9	A257 V259 L264 R265 C297 Y301	A257-E261 WeakPolarHBondContact O-CB 3.23Å; A257-E261 PolarHBondContact O-N 2.65Å; V259-E261 VanDerWaalsContact C-N 3.31Å; V259-E261 PolarHBondContact O-N 3.22Å; E261-L264 PolarHBondContact O-N 2.78Å; E261-R265 VanDerWaalsContact O-CB 3.22Å; E261-R265 WeakPolarHBondContact O-CB 3.41Å; E261-R265 PolarHBondContact O-N 2.68Å; E261-R265 IonicContact OE1-CZ 3.91Å; E261-R265 VanDerWaalsContact OE1-CZ 3.28Å; E261-R265 IonicContact OE1-NE 3.93Å; E261-R265 PolarHBondContact OE1-NE 3.36Å; E261-R265 IonicContact OE1-NH2 3.91Å; E261-R265 PolarHBondContact OE1-NH2 3.23Å; E261-C297 WeakPolarHBondContact CA-SG 3.42Å; E261-C297 PolarHBondContact N-SG 2.92Å; E261-C297 VanDerWaalsContact N-SG 3.41Å; E261-Y301 HydrophobicContact CG-CE2 3.76Å
262	T	92.8	Very high	92.6	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.012	18%	0.175	C	C	.	.	H	α-helix	trans	-68.8	-38.5	-179.3	-58.3	0	0	0	0	111.5	N224 V227 R228 L231 H258 V259 A260 V266 G267	N224-T262 PolarHBondContact ND2-OG1 3.37Å; N224-T262 WeakPolarHBondContact OD1-CB 3.39Å; N224-T262 WeakPolarHBondContact OD1-CG2 3.42Å; N224-T262 PolarHBondContact OD1-OG1 2.54Å; N224-T262 VanDerWaalsContact OD1-OG1 3.08Å; V227-T262 HydrophobicContact CG1-CG2 4.28Å; R228-T262 HydrophobicContact CG-CG2 3.76Å; L231-T262 HydrophobicContact CD1-CG2 4.49Å; H258-T262 WeakPolarHBondContact O-CB 3.39Å; H258-T262 PolarHBondContact O-N 2.99Å; H258-T262 PolarHBondContact O-OG1 2.96Å; V259-T262 PolarHBondContact O-N 2.68Å; V259-T262 VanDerWaalsContact O-N 3.09Å; A260-T262 VanDerWaalsContact C-N 3.33Å; A260-T262 PolarHBondContact O-N 2.78Å; T262-V266 HydrophobicContact CG2-CB 4.34Å; T262-V266 HydrophobicContact CG2-CG2 4.06Å; T262-V266 WeakPolarHBondContact O-CA 3.39Å; T262-V266 VanDerWaalsContact O-CB 3.28Å; T262-V266 WeakPolarHBondContact O-CB 3.5Å; T262-V266 PolarHBondContact O-N 2.68Å; T262-G267 PolarHBondContact O-N 3.48Å
263	L	94.5	Very high	92.3	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64.3	-40.1	172.3	-68.9	168.2	0	0	0	111.9	L215 A219 V227 V237 A247 A251 V259 A260 G267 R268 A269	L215-L263 HydrophobicContact CD1-CD2 3.97Å; L215-L263 HydrophobicContact CD2-CD2 4.15Å; L215-L263 HydrophobicContact CG-CD2 4.11Å; A219-L263 HydrophobicContact CB-CD1 4.28Å; V227-L263 HydrophobicContact CG1-CD2 3.78Å; V227-L263 HydrophobicContact CG1-CG 4.11Å; V237-L263 HydrophobicContact CG1-CD2 4.05Å; A247-L263 HydrophobicContact CB-CD1 3.95Å; A247-L263 HydrophobicContact CB-CD2 4.05Å; A251-L263 HydrophobicContact CB-CD1 4.09Å; V259-L263 HydrophobicContact CG1-CD1 3.82Å; V259-L263 HydrophobicContact CG1-CG 4.17Å; V259-L263 VanDerWaalsContact O-CG 3.32Å; V259-L263 WeakPolarHBondContact O-CG 3.47Å; V259-L263 PolarHBondContact O-N 3.48Å; A260-L263 PolarHBondContact O-N 3.12Å; L263-G267 CarbonylContact O-C 3.54Å; L263-G267 WeakPolarHBondContact O-CA 3.47Å; L263-G267 PolarHBondContact O-N 2.76Å; L263-R268 PolarHBondContact O-N 2.84Å; L263-A269 HydrophobicContact CB-CB 4.17Å; L263-A269 WeakPolarHBondContact O-CB 3.45Å; L263-A269 PolarHBondContact O-N 3.34Å
264	L	90.2	Very high	92.1	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.016	19%	0.191	C	C	.	.	H	α-helix	trans	-71.6	-48.1	178.2	-71.1	158.9	0	0	0	112.4	L248 A260 E261 R268 A269 P271 L298 Y301	L248-L264 HydrophobicContact CD1-CD1 4.05Å; L248-L264 HydrophobicContact CD1-CD2 4.38Å; L248-L264 HydrophobicContact CD1-CG 3.95Å; L248-L264 HydrophobicContact CD2-CD2 3.77Å; L248-L264 HydrophobicContact CD2-CG 4.27Å; A260-L264 WeakPolarHBondContact O-CB 3.34Å; A260-L264 WeakPolarHBondContact O-CD1 3.4Å; A260-L264 VanDerWaalsContact O-CG 3.22Å; A260-L264 WeakPolarHBondContact O-CG 3.5Å; A260-L264 PolarHBondContact O-N 3.47Å; E261-L264 PolarHBondContact O-N 2.78Å; L264-R268 VanDerWaalsContact O-CA 3.26Å; L264-R268 WeakPolarHBondContact O-CA 3.31Å; L264-R268 PolarHBondContact O-N 3.45Å; L264-A269 HydrophobicContact CD2-CB 4.33Å; L264-P271 HydrophobicContact CD2-CB 4.22Å; L264-P271 HydrophobicContact CD2-CG 4.38Å; L264-L298 HydrophobicContact CD1-CD2 4.22Å; L264-Y301 HydrophobicContact CB-CD1 3.78Å; L264-Y301 HydrophobicContact CB-CD2 4.05Å; L264-Y301 HydrophobicContact CB-CE1 4.29Å; L264-Y301 HydrophobicContact CB-CG 3.68Å; L264-Y301 HydrophobicContact CD1-CD2 3.93Å; L264-Y301 HydrophobicContact CD1-CG 4.04Å; L264-Y301 HydrophobicContact CD2-CG 4.48Å; L264-Y301 HydrophobicContact CG-CG 4.28Å
265	R	85.7	Confident	91.8	Very high	95 Å²	95	34.6 Å²	34.6	36%	0.358	17%	0.171	S	C	.	.	H	α-helix	trans	-81.6	-47.7	-173.9	-175.6	165.6	48.6	86.9	-4.5	113.9	E261 Y301	E261-R265 VanDerWaalsContact O-CB 3.22Å; E261-R265 WeakPolarHBondContact O-CB 3.41Å; E261-R265 PolarHBondContact O-N 2.68Å; E261-R265 IonicContact OE1-CZ 3.91Å; E261-R265 VanDerWaalsContact OE1-CZ 3.28Å; E261-R265 IonicContact OE1-NE 3.93Å; E261-R265 PolarHBondContact OE1-NE 3.36Å; E261-R265 IonicContact OE1-NH2 3.91Å; E261-R265 PolarHBondContact OE1-NH2 3.23Å; R265-Y301 HydrophobicContact CB-CE1 3.75Å; R265-Y301 WeakPolarHBondContact CB-OH 3.36Å; R265-Y301 WeakPolarHBondContact CD-OH 3.29Å; R265-Y301 HydrophobicContact CG-CE1 4.34Å
266	V	82.6	Confident	91	Very high	72 Å²	72	33 Å²	33	44%	0.436	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-48.5	-178.6	-173.7	0	0	0	0	109.6	L231 T262	L231-V266 HydrophobicContact CD1-CB 4.13Å; L231-V266 HydrophobicContact CD1-CG1 4.17Å; T262-V266 HydrophobicContact CG2-CB 4.34Å; T262-V266 HydrophobicContact CG2-CG2 4.06Å; T262-V266 WeakPolarHBondContact O-CA 3.39Å; T262-V266 VanDerWaalsContact O-CB 3.28Å; T262-V266 WeakPolarHBondContact O-CB 3.5Å; T262-V266 PolarHBondContact O-N 2.68Å
267	G	81.7	Confident	90.2	Very high	14 Å²	14	35.3 Å²	35.3	14%	0.144	17%	0.17	C	C	.	.	S	Bend	trans	-78.6	-16	-177.8	0	0	0	0	0	115.7	V237 T262 L263 A269	V237-G267 WeakPolarHBondContact CG2-O 3.23Å; T262-G267 PolarHBondContact O-N 3.48Å; L263-G267 CarbonylContact O-C 3.54Å; L263-G267 WeakPolarHBondContact O-CA 3.47Å; L263-G267 PolarHBondContact O-N 2.76Å; G267-A269 PolarHBondContact O-N 2.84Å
268	R	83.7	Confident	89.8	Confident	121 Å²	121	35.6 Å²	35.6	46%	0.457	17%	0.171	S	C	.	.			trans	55.3	38.4	-173.7	-52.3	174.4	-177.1	-175.4	5.2	112.6	L263 L264	L263-R268 PolarHBondContact O-N 2.84Å; L264-R268 VanDerWaalsContact O-CA 3.26Å; L264-R268 WeakPolarHBondContact O-CA 3.31Å; L264-R268 PolarHBondContact O-N 3.45Å
269	A	90.5	Very high	89.6	Confident	3 Å²	3	31.9 Å²	31.9	3%	0.025	16%	0.156	C	C	.	.			trans	-52.7	139.4	173.2	0	0	0	0	0	110.8	V237 L248 L263 L264 G267 P271	V237-A269 HydrophobicContact CG1-CB 3.64Å; L248-A269 HydrophobicContact CB-CB 4.29Å; L248-A269 HydrophobicContact CD2-CB 4.01Å; L263-A269 HydrophobicContact CB-CB 4.17Å; L263-A269 WeakPolarHBondContact O-CB 3.45Å; L263-A269 PolarHBondContact O-N 3.34Å; L264-A269 HydrophobicContact CD2-CB 4.33Å; G267-A269 PolarHBondContact O-N 2.84Å; A269-P271 WeakPolarHBondContact O-CD 3.27Å
270	N	88	Confident	89.5	Confident	42 Å²	42	32.3 Å²	32.3	23%	0.225	16%	0.158	C	C	.	.			trans	-88.4	111.9	175.2	176.8	8.2	0	0	0	109.8	N238 Q272 I273 F434	N238-N270 PolarHBondContact OD1-N 3.14Å; N270-Q272 PolarHBondContact O-N 2.85Å; N270-Q272 PolarHBondContact OD1-N 3.08Å; N270-I273 HydrophobicContact CB-CD1 3.9Å; N270-I273 HydrophobicContact CB-CG1 3.91Å; N270-I273 PolarHBondContact O-N 2.66Å; N270-F434 WeakPolarHBondContact OD1-CD1 3.15Å
271	P	94.2	Very high	89.5	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.013	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-16.7	-179.4	30	-35.7	0	0	0	113.9	L248 L264 A269 I273 L298 A303 F434	L248-P271 HydrophobicContact CD2-CB 4.25Å; L264-P271 HydrophobicContact CD2-CB 4.22Å; L264-P271 HydrophobicContact CD2-CG 4.38Å; A269-P271 WeakPolarHBondContact O-CD 3.27Å; P271-I273 VanDerWaalsContact C-N 3.35Å; P271-L298 HydrophobicContact CB-CD2 4.03Å; P271-A303 HydrophobicContact CB-CB 3.78Å; P271-A303 HydrophobicContact CG-CB 4.26Å; P271-F434 HydrophobicContact CG-CE1 3.98Å; P271-F434 HydrophobicContact CG-CZ 3.82Å
272	Q	93.3	Very high	89.6	Confident	5 Å²	5	29.1 Å²	29.1	2%	0.023	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-4.9	-178.2	-37.7	-55.8	1.6	0	0	113.4	N270 K274 H302 H430 F434	N270-Q272 PolarHBondContact O-N 2.85Å; N270-Q272 PolarHBondContact OD1-N 3.08Å; Q272-K274 PolarHBondContact O-N 3.13Å; Q272-K274 VanDerWaalsContact O-N 3.13Å; Q272-H302 PolarHBondContact NE2-O 2.93Å; Q272-H430 PolarHBondContact NE2-CE1 3.37Å; Q272-F434 HydrophobicContact CG-CB 3.83Å; Q272-F434 HydrophobicContact CG-CD1 4.01Å; Q272-F434 HydrophobicContact CG-CD2 3.79Å; Q272-F434 HydrophobicContact CG-CE2 4.35Å; Q272-F434 HydrophobicContact CG-CG 3.58Å
273	I	91.2	Very high	89.9	Confident	26 Å²	26	29 Å²	29	13%	0.133	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-60.4	122.2	175.9	-65.7	174.3	0	0	0	108.4	N238 T246 H249 N270 P271	N238-I273 HydrophobicContact CB-CD1 3.56Å; N238-I273 WeakPolarHBondContact OD1-CD1 3.23Å; T246-I273 HydrophobicContact CG2-CB 4.5Å; T246-I273 HydrophobicContact CG2-CD1 4.21Å; T246-I273 HydrophobicContact CG2-CG2 3.87Å; H249-I273 PolarHBondContact CE1-O 2.85Å; H249-I273 PolarHBondContact NE2-O 3.37Å; H249-I273 VanDerWaalsContact NE2-O 3.16Å; N270-I273 HydrophobicContact CB-CD1 3.9Å; N270-I273 HydrophobicContact CB-CG1 3.91Å; N270-I273 PolarHBondContact O-N 2.66Å; P271-I273 VanDerWaalsContact C-N 3.35Å
274	K	92.8	Very high	90.1	Very high	52 Å²	52	29 Å²	29	23%	0.226	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-85.5	147	173.1	-61.4	-174.9	-177.6	-166.8	0	110.5	R240 Q272 G279 N280 T281 R308 K417	R240-K274 PolarHBondContact NH2-O 3.41Å; Q272-K274 PolarHBondContact O-N 3.13Å; Q272-K274 VanDerWaalsContact O-N 3.13Å; K274-G279 WeakPolarHBondContact CB-O 3.38Å; K274-G279 VanDerWaalsContact CD-O 3.31Å; K274-G279 WeakPolarHBondContact CD-O 3Å; K274-G279 VanDerWaalsContact CG-O 3.25Å; K274-G279 WeakPolarHBondContact CG-O 2.97Å; K274-N280 CarbonylContact C-O 3.55Å; K274-N280 WeakPolarHBondContact CA-O 3.24Å; K274-T281 HydrophobicContact CG-CG2 3.79Å; K274-R308 PolarHBondContact NZ-O 3.23Å; K274-K417 PolarHBondContact NZ-O 3.34Å
275	C	91.1	Very high	90.4	Very high	1 Å²	1	29 Å²	29	1%	0.007	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-65.5	129.5	160.6	179.7	0	0	0	0	108.7	G243 F245 F277 G279 N280	G243-C275 PolarHBondContact O-SG 3.35Å; G243-C275 VanDerWaalsContact O-SG 3.34Å; F245-C275 HydrophobicContact CD1-CB 4.31Å; F245-C275 HydrophobicContact CE1-CB 4.08Å; C275-F277 PolarHBondContact O-N 3.01Å; C275-G279 WeakPolarHBondContact O-CA 3.36Å; C275-G279 PolarHBondContact O-N 2.94Å; C275-N280 PolarHBondContact N-O 2.85Å
276	P	78.9	Confident	91	Very high	16 Å²	16	24.4 Å²	24.4	10%	0.104	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-24.5	179.9	-25.7	36.4	0	0	0	114.3	D117 F119 L130	D117-P276 WeakPolarHBondContact O-CB 3.38Å; D117-P276 WeakPolarHBondContact O-CG 3.41Å; F119-P276 HydrophobicContact CD2-CB 3.94Å; F119-P276 HydrophobicContact CE2-CB 3.41Å; F119-P276 VanDerWaalsContact CE2-CB 3.41Å; F119-P276 WeakPolarHBondContact CE2-O 3.08Å; F119-P276 HydrophobicContact CZ-CB 3.9Å; L130-P276 HydrophobicContact CD1-CB 4.21Å; L130-P276 HydrophobicContact CD1-CG 3.8Å
277	F	82.2	Confident	91.7	Very high	111 Å²	111	21 Å²	21	49%	0.487	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-52	-175.2	-58.5	-66	0	0	0	113.3	F119 L130 G243 C275	F119-F277 HydrophobicContact CE1-CE1 4.17Å; F119-F277 HydrophobicContact CZ-CD1 4.03Å; F119-F277 AromaticContact CZ-CE1 3.87Å; F119-F277 HydrophobicContact CZ-CE1 3.87Å; L130-F277 HydrophobicContact CD2-CE2 4.11Å; L130-F277 HydrophobicContact CD2-CZ 3.94Å; G243-F277 WeakPolarHBondContact O-CD2 3.23Å; C275-F277 PolarHBondContact O-N 3.01Å
278	S	88.4	Confident	92.3	Very high	28 Å²	28	20.6 Å²	20.6	20%	0.196	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-8.4	-178.7	56.6	0	0	0	0	114.1	N280 N309 A310	S278-N280 PolarHBondContact O-N 2.95Å; S278-N280 WeakPolarHBondContact OG-CB 3.35Å; S278-N280 PolarHBondContact OG-N 3.23Å; S278-N309 WeakPolarHBondContact O-CB 3.45Å; S278-A310 VanDerWaalsContact O-CB 3.27Å; S278-A310 WeakPolarHBondContact O-CB 3.35Å; S278-A310 PolarHBondContact O-N 2.66Å
279	G	90.6	Very high	92.8	Very high	10 Å²	10	16.5 Å²	16.5	10%	0.103	9%	0.086	C	C	.	.			trans	66.4	-1.4	-170.5	0	0	0	0	0	114.8	K274 C275	K274-G279 WeakPolarHBondContact CB-O 3.38Å; K274-G279 VanDerWaalsContact CD-O 3.31Å; K274-G279 WeakPolarHBondContact CD-O 3Å; K274-G279 VanDerWaalsContact CG-O 3.25Å; K274-G279 WeakPolarHBondContact CG-O 2.97Å; C275-G279 WeakPolarHBondContact O-CA 3.36Å; C275-G279 PolarHBondContact O-N 2.94Å
280	N	95.5	Very high	92.9	Very high	8 Å²	8	17.3 Å²	17.3	4%	0.043	10%	0.095	C	C	.	.			trans	-62.4	134	178.8	-75.3	-8.4	0	0	0	111.1	H249 K274 C275 S278 H284 E285 M288 N309	H249-N280 PolarHBondContact NE2-O 2.72Å; K274-N280 CarbonylContact C-O 3.55Å; K274-N280 WeakPolarHBondContact CA-O 3.24Å; C275-N280 PolarHBondContact N-O 2.85Å; S278-N280 PolarHBondContact O-N 2.95Å; S278-N280 WeakPolarHBondContact OG-CB 3.35Å; S278-N280 PolarHBondContact OG-N 3.23Å; N280-H284 HydrophobicContact CB-CB 3.68Å; N280-E285 HydrophobicContact CB-CG 4.41Å; N280-E285 WeakPolarHBondContact CB-OE1 3.48Å; N280-E285 PolarHBondContact ND2-OE1 2.95Å; N280-M288 WeakPolarHBondContact ND2-CE 3.28Å; N280-N309 VanDerWaalsContact OD1-CB 3.32Å; N280-N309 WeakPolarHBondContact OD1-CB 3.49Å; N280-N309 PolarHBondContact OD1-ND2 3.24Å; N280-N309 VanDerWaalsContact OD1-ND2 3.12Å
281	T	97	Very high	93.4	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.006	9%	0.093	C	C	.	.	B	Isolated β-bridge	trans	-84.9	170.9	161.7	66.8	0	0	0	0	110.6	K274 L283 H284 E285	K274-T281 HydrophobicContact CG-CG2 3.79Å; T281-L283 PolarHBondContact O-N 3.08Å; T281-L283 PolarHBondContact OG1-N 3.32Å; T281-H284 PolarHBondContact N-ND1 3.48Å; T281-H284 VanDerWaalsContact N-ND1 3.15Å; T281-H284 WeakPolarHBondContact O-CB 3.41Å; T281-H284 PolarHBondContact O-N 3.18Å; T281-H284 PolarHBondContact OG1-ND1 3.49Å; T281-E285 PolarHBondContact O-N 3.32Å; T281-E285 VanDerWaalsContact O-N 3.12Å
282	A	97.8	Very high	93.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-55.1	-24.4	173.7	0	0	0	0	0	113.7	L248 H249 A286 L298	L248-A282 HydrophobicContact CD2-CB 4.16Å; L248-A282 HydrophobicContact CG-CB 3.9Å; H249-A282 PolarHBondContact NE2-N 2.86Å; A282-A286 WeakPolarHBondContact O-CB 3.43Å; A282-A286 PolarHBondContact O-N 3.04Å; A282-L298 VanDerWaalsContact C-CD1 3.46Å; A282-L298 HydrophobicContact CB-CD1 4.13Å; A282-L298 HydrophobicContact CB-CD2 3.98Å; A282-L298 VanDerWaalsContact O-CD1 3.3Å; A282-L298 WeakPolarHBondContact O-CD1 3.1Å
283	L	98.2	Very high	93.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-75.3	-35.4	174.9	-175.1	63.4	0	0	0	112.8	T281 A287 V295 L298 L299 A303 A304 P315	T281-L283 PolarHBondContact O-N 3.08Å; T281-L283 PolarHBondContact OG1-N 3.32Å; L283-A287 WeakPolarHBondContact O-CB 3.38Å; L283-A287 PolarHBondContact O-N 3.44Å; L283-V295 HydrophobicContact CD1-CB 4.25Å; L283-V295 HydrophobicContact CD1-CG1 4.01Å; L283-V295 HydrophobicContact CD1-CG2 4.12Å; L283-L298 HydrophobicContact CB-CD1 4.08Å; L283-L298 HydrophobicContact CD1-CB 4.05Å; L283-L298 HydrophobicContact CD1-CD1 4.14Å; L283-L299 HydrophobicContact CD1-CG 4.37Å; L283-L299 HydrophobicContact CD2-CD2 4.05Å; L283-A303 HydrophobicContact CB-CB 4.32Å; L283-A303 HydrophobicContact CD2-CB 4.11Å; L283-A304 WeakPolarHBondContact CD2-O 3.21Å; L283-P315 HydrophobicContact CB-CG 4.46Å; L283-P315 HydrophobicContact CD2-CB 4.41Å; L283-P315 HydrophobicContact CD2-CG 4.01Å; L283-P315 HydrophobicContact CG-CB 4.04Å; L283-P315 HydrophobicContact CG-CG 3.93Å
284	H	98	Very high	93.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.2	-46.4	171.3	-65.4	77.9	0	0	0	110	N280 T281 A286 A287 M288 A307 N309 E313 L318	N280-H284 HydrophobicContact CB-CB 3.68Å; T281-H284 PolarHBondContact N-ND1 3.48Å; T281-H284 VanDerWaalsContact N-ND1 3.15Å; T281-H284 WeakPolarHBondContact O-CB 3.41Å; T281-H284 PolarHBondContact O-N 3.18Å; T281-H284 PolarHBondContact OG1-ND1 3.49Å; H284-A286 PolarHBondContact O-N 3.04Å; H284-A287 PolarHBondContact O-N 2.73Å; H284-M288 WeakPolarHBondContact O-CB 3.34Å; H284-M288 PolarHBondContact O-N 3.3Å; H284-A307 PolarHBondContact NE2-O 2.72Å; H284-N309 PolarHBondContact NE2-N 2.74Å; H284-E313 PolarHBondContact NE2-O 3.01Å; H284-L318 HydrophobicContact CB-CD1 3.69Å
285	E	97.1	Very high	93.8	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-60	-44.7	176.2	-61.6	-62.3	132.5	0	0	112.4	F245 Q253 N280 T281 L289	F245-E285 HydrophobicContact CE1-CG 4.39Å; Q253-E285 HydrophobicContact CG-CB 4.17Å; Q253-E285 HydrophobicContact CG-CG 4.42Å; Q253-E285 PolarHBondContact NE2-OE2 3.28Å; N280-E285 HydrophobicContact CB-CG 4.41Å; N280-E285 WeakPolarHBondContact CB-OE1 3.48Å; N280-E285 PolarHBondContact ND2-OE1 2.95Å; T281-E285 PolarHBondContact O-N 3.32Å; T281-E285 VanDerWaalsContact O-N 3.12Å; E285-L289 WeakPolarHBondContact O-CB 3.48Å; E285-L289 WeakPolarHBondContact O-CG 3.47Å; E285-L289 PolarHBondContact O-N 2.69Å
286	A	97.8	Very high	93.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-65.5	-40.9	178.2	0	0	0	0	0	112.6	C252 A282 H284 G290 H291 C294 V295 L298	C252-A286 HydrophobicContact CB-CB 4.22Å; A282-A286 WeakPolarHBondContact O-CB 3.43Å; A282-A286 PolarHBondContact O-N 3.04Å; H284-A286 PolarHBondContact O-N 3.04Å; A286-G290 PolarHBondContact O-N 3.07Å; A286-H291 PolarHBondContact O-N 3.13Å; A286-C294 HydrophobicContact CB-CB 3.78Å; A286-V295 HydrophobicContact CB-CG2 3.72Å; A286-L298 HydrophobicContact CB-CD1 3.96Å
287	A	96.9	Very high	94.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-73.5	-42.9	-179.2	0	0	0	0	0	112.4	L283 H284 L289 G290 V295 P315 A319 L331	L283-A287 WeakPolarHBondContact O-CB 3.38Å; L283-A287 PolarHBondContact O-N 3.44Å; H284-A287 PolarHBondContact O-N 2.73Å; A287-L289 PolarHBondContact O-N 3.39Å; A287-G290 PolarHBondContact O-N 2.87Å; A287-G290 VanDerWaalsContact O-N 3.11Å; A287-V295 HydrophobicContact CB-CG2 4.22Å; A287-P315 HydrophobicContact CB-CB 3.9Å; A287-P315 WeakPolarHBondContact CB-O 3.43Å; A287-A319 HydrophobicContact CB-CB 4.2Å; A287-A319 WeakPolarHBondContact O-CA 3.36Å; A287-L331 HydrophobicContact CB-CD1 3.63Å
288	M	95.7	Very high	95.2	Very high	5 Å²	5	12.6 Å²	12.6	3%	0.025	8%	0.076	C	C	.	.	H	α-helix	trans	-58.7	-27.8	174.9	178.5	167.3	55.3	0	0	113.5	P38 N280 H284 L318 Y322 F324	P38-M288 HydrophobicContact CG-CE 3.75Å; N280-M288 WeakPolarHBondContact ND2-CE 3.28Å; H284-M288 WeakPolarHBondContact O-CB 3.34Å; H284-M288 PolarHBondContact O-N 3.3Å; M288-L318 HydrophobicContact CB-CB 4.07Å; M288-L318 HydrophobicContact CB-CD1 4.37Å; M288-Y322 HydrophobicContact CG-CD1 4.35Å; M288-Y322 HydrophobicContact CG-CD2 3.73Å; M288-Y322 HydrophobicContact CG-CE1 4.16Å; M288-Y322 HydrophobicContact CG-CE2 3.48Å; M288-Y322 VanDerWaalsContact CG-CE2 3.48Å; M288-Y322 HydrophobicContact CG-CG 4.14Å; M288-Y322 WeakPolarHBondContact O-CB 3.44Å; M288-Y322 HydrophobicContact SD-CE2 3.77Å; M288-F324 WeakPolarHBondContact O-CE2 3.31Å
289	L	94.5	Very high	95.4	Very high	36 Å²	36	11.5 Å²	11.5	19%	0.188	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	6.7	179.4	-61.5	171.3	0	0	0	113.2	F39 Q253 E285 A287 H291 F324	F39-L289 HydrophobicContact CE2-CD1 4.12Å; F39-L289 HydrophobicContact CE2-CD2 4.04Å; Q253-L289 HydrophobicContact CB-CD1 4.22Å; Q253-L289 HydrophobicContact CG-CD1 4.1Å; E285-L289 WeakPolarHBondContact O-CB 3.48Å; E285-L289 WeakPolarHBondContact O-CG 3.47Å; E285-L289 PolarHBondContact O-N 2.69Å; A287-L289 PolarHBondContact O-N 3.39Å; L289-H291 PolarHBondContact O-CD2 2.82Å; L289-H291 PolarHBondContact O-N 3.16Å; L289-F324 VanDerWaalsContact C-CE2 3.48Å
290	G	92.5	Very high	95.3	Very high	20 Å²	20	15 Å²	15	21%	0.206	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	10.6	177.3	0	0	0	0	0	115.2	A286 A287 A292 F324	A286-G290 PolarHBondContact O-N 3.07Å; A287-G290 PolarHBondContact O-N 2.87Å; A287-G290 VanDerWaalsContact O-N 3.11Å; G290-A292 VanDerWaalsContact C-N 3.26Å; G290-A292 PolarHBondContact O-N 3.25Å; G290-F324 VanDerWaalsContact CA-CG 3.47Å; G290-F324 VanDerWaalsContact N-CE2 3.3Å
291	H	96.9	Very high	95	Very high	42 Å²	42	15.2 Å²	15.2	19%	0.194	8%	0.078	C	C	.	.			trans	-77.9	71.4	-173.8	-61.9	160.1	0	0	0	111.3	C252 S255 A286 L289 D293 C294 V295	C252-H291 PolarHBondContact O-ND1 2.83Å; S255-H291 PolarHBondContact OG-CD2 2.83Å; A286-H291 PolarHBondContact O-N 3.13Å; L289-H291 PolarHBondContact O-CD2 2.82Å; L289-H291 PolarHBondContact O-N 3.16Å; H291-D293 VanDerWaalsContact C-N 3.28Å; H291-D293 PolarHBondContact O-N 3.02Å; H291-C294 HydrophobicContact CB-CB 4.03Å; H291-C294 WeakPolarHBondContact O-CA 3.34Å; H291-C294 WeakPolarHBondContact O-CB 3.45Å; H291-C294 PolarHBondContact O-N 2.88Å; H291-V295 PolarHBondContact O-N 3.19Å
292	A	93.6	Very high	94.6	Very high	7 Å²	7	18.2 Å²	18.2	6%	0.058	9%	0.093	C	C	.	.	H	α-helix	trans	-54.9	-35.1	-173.9	0	0	0	0	0	114.2	G290 V295 N296 L327 W482	G290-A292 VanDerWaalsContact C-N 3.26Å; G290-A292 PolarHBondContact O-N 3.25Å; A292-V295 WeakPolarHBondContact O-CB 3.32Å; A292-V295 PolarHBondContact O-N 3.24Å; A292-N296 WeakPolarHBondContact O-CB 3.48Å; A292-N296 PolarHBondContact O-N 3.12Å; A292-N296 PolarHBondContact O-ND2 2.93Å; A292-L327 HydrophobicContact CB-CD1 3.92Å; A292-L327 HydrophobicContact CB-CD2 4.49Å; A292-W482 HydrophobicContact CB-CD2 4.47Å; A292-W482 HydrophobicContact CB-CE3 4.18Å; A292-W482 HydrophobicContact CB-CH2 3.37Å; A292-W482 HydrophobicContact CB-CZ2 3.67Å; A292-W482 HydrophobicContact CB-CZ3 3.64Å
293	D	93.9	Very high	94.5	Very high	94 Å²	94	18.4 Å²	18.4	50%	0.503	9%	0.094	S	C	.	.	H	α-helix	trans	-69.5	-34.7	175.9	-65.9	-36.6	0	0	0	112.7	A257 H291 C297	A257-D293 HydrophobicContact CB-CB 3.77Å; H291-D293 VanDerWaalsContact C-N 3.28Å; H291-D293 PolarHBondContact O-N 3.02Å; D293-C297 VanDerWaalsContact O-CB 3.3Å; D293-C297 WeakPolarHBondContact O-CB 3.34Å; D293-C297 PolarHBondContact O-N 3.49Å
294	C	96.5	Very high	94.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-68.7	-40	170.8	-70.9	0	0	0	0	111.2	C252 A286 H291 C297 L298	C252-C294 HydrophobicContact CB-CB 4.29Å; A286-C294 HydrophobicContact CB-CB 3.78Å; H291-C294 HydrophobicContact CB-CB 4.03Å; H291-C294 WeakPolarHBondContact O-CA 3.34Å; H291-C294 WeakPolarHBondContact O-CB 3.45Å; H291-C294 PolarHBondContact O-N 2.88Å; C294-C297 PolarHBondContact O-N 3.4Å; C294-L298 WeakPolarHBondContact O-CB 3.37Å; C294-L298 WeakPolarHBondContact O-CD1 3.36Å; C294-L298 VanDerWaalsContact O-CG 3.23Å; C294-L298 WeakPolarHBondContact O-CG 3.3Å; C294-L298 PolarHBondContact O-N 3.09Å
295	V	96.7	Very high	94.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-58.8	-52.1	172.8	167	0	0	0	0	110.9	L283 A286 A287 H291 A292 C297 L298 L299 L327 L331 L470	L283-V295 HydrophobicContact CD1-CB 4.25Å; L283-V295 HydrophobicContact CD1-CG1 4.01Å; L283-V295 HydrophobicContact CD1-CG2 4.12Å; A286-V295 HydrophobicContact CB-CG2 3.72Å; A287-V295 HydrophobicContact CB-CG2 4.22Å; H291-V295 PolarHBondContact O-N 3.19Å; A292-V295 WeakPolarHBondContact O-CB 3.32Å; A292-V295 PolarHBondContact O-N 3.24Å; V295-C297 VanDerWaalsContact C-N 3.33Å; V295-C297 PolarHBondContact O-N 2.78Å; V295-L298 PolarHBondContact O-N 2.89Å; V295-L299 HydrophobicContact CG1-CD1 3.66Å; V295-L299 HydrophobicContact CG1-CG 4.36Å; V295-L299 WeakPolarHBondContact O-CB 3.22Å; V295-L299 VanDerWaalsContact O-CG 3.29Å; V295-L299 WeakPolarHBondContact O-CG 3.44Å; V295-L299 PolarHBondContact O-N 3.24Å; V295-L327 HydrophobicContact CB-CD1 4.32Å; V295-L327 HydrophobicContact CG1-CD1 4.14Å; V295-L327 HydrophobicContact CG2-CD1 4.32Å; V295-L327 HydrophobicContact CG2-CD2 4.27Å; V295-L331 HydrophobicContact CG1-CD1 4.26Å; V295-L331 HydrophobicContact CG1-CD2 3.71Å; V295-L331 HydrophobicContact CG1-CG 4.08Å; V295-L470 HydrophobicContact CG1-CD1 4.44Å
296	N	92.4	Very high	94	Very high	7 Å²	7	19.4 Å²	19.4	4%	0.037	10%	0.1	C	C	.	.	H	α-helix	trans	-52.7	-49.1	174.2	-88.5	-45.5	0	0	0	112.2	A292 L299 R300 L470	A292-N296 WeakPolarHBondContact O-CB 3.48Å; A292-N296 PolarHBondContact O-N 3.12Å; A292-N296 PolarHBondContact O-ND2 2.93Å; N296-L299 PolarHBondContact O-N 3.39Å; N296-R300 VanDerWaalsContact O-CG 3.29Å; N296-R300 WeakPolarHBondContact O-CG 3.2Å; N296-R300 PolarHBondContact O-N 3.2Å; N296-R300 VanDerWaalsContact O-N 3.08Å; N296-L470 PolarHBondContact ND2-O 2.87Å; N296-L470 WeakPolarHBondContact OD1-CB 3.42Å; N296-L470 PolarHBondContact OD1-N 3Å
297	C	92.5	Very high	93.9	Very high	5 Å²	5	19.5 Å²	19.5	3%	0.034	10%	0.101	C	C	.	.	H	α-helix	trans	-58.5	-52.4	178.1	-174.4	0	0	0	0	110.9	E261 D293 C294 V295 L299 R300 Y301	E261-C297 WeakPolarHBondContact CA-SG 3.42Å; E261-C297 PolarHBondContact N-SG 2.92Å; E261-C297 VanDerWaalsContact N-SG 3.41Å; D293-C297 VanDerWaalsContact O-CB 3.3Å; D293-C297 WeakPolarHBondContact O-CB 3.34Å; D293-C297 PolarHBondContact O-N 3.49Å; C294-C297 PolarHBondContact O-N 3.4Å; V295-C297 VanDerWaalsContact C-N 3.33Å; V295-C297 PolarHBondContact O-N 2.78Å; C297-L299 PolarHBondContact O-N 3.13Å; C297-R300 PolarHBondContact O-N 2.86Å; C297-Y301 VanDerWaalsContact O-CD2 3.31Å; C297-Y301 WeakPolarHBondContact O-CD2 3.39Å; C297-Y301 PolarHBondContact O-N 3.18Å
298	L	95.7	Very high	93.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.8	-44	-178.9	-73.5	165.4	0	0	0	112.5	L248 L264 P271 A282 L283 A286 C294 V295 R300 Y301 H302 A303	L248-L298 HydrophobicContact CD1-CD2 4.15Å; L248-L298 HydrophobicContact CD2-CD2 3.9Å; L248-L298 HydrophobicContact CG-CD2 4.19Å; L264-L298 HydrophobicContact CD1-CD2 4.22Å; P271-L298 HydrophobicContact CB-CD2 4.03Å; A282-L298 VanDerWaalsContact C-CD1 3.46Å; A282-L298 HydrophobicContact CB-CD1 4.13Å; A282-L298 HydrophobicContact CB-CD2 3.98Å; A282-L298 VanDerWaalsContact O-CD1 3.3Å; A282-L298 WeakPolarHBondContact O-CD1 3.1Å; L283-L298 HydrophobicContact CB-CD1 4.08Å; L283-L298 HydrophobicContact CD1-CB 4.05Å; L283-L298 HydrophobicContact CD1-CD1 4.14Å; A286-L298 HydrophobicContact CB-CD1 3.96Å; C294-L298 WeakPolarHBondContact O-CB 3.37Å; C294-L298 WeakPolarHBondContact O-CD1 3.36Å; C294-L298 VanDerWaalsContact O-CG 3.23Å; C294-L298 WeakPolarHBondContact O-CG 3.3Å; C294-L298 PolarHBondContact O-N 3.09Å; V295-L298 PolarHBondContact O-N 2.89Å; L298-R300 PolarHBondContact O-N 3.29Å; L298-Y301 CarbonylContact O-C 3.48Å; L298-Y301 PolarHBondContact O-N 3.48Å; L298-H302 PolarHBondContact O-N 3.14Å; L298-A303 HydrophobicContact CB-CB 3.75Å; L298-A303 WeakPolarHBondContact O-CB 3.48Å; L298-A303 PolarHBondContact O-N 3.2Å
299	L	94.6	Very high	93.6	Very high	6 Å²	6	22.1 Å²	22.1	3%	0.031	11%	0.112	C	C	.	.	H	α-helix	trans	-63	-40.8	178.4	-68.6	169	0	0	0	112.3	L283 V295 N296 C297 Y301 H302 P305 L331 Y334	L283-L299 HydrophobicContact CD1-CG 4.37Å; L283-L299 HydrophobicContact CD2-CD2 4.05Å; V295-L299 HydrophobicContact CG1-CD1 3.66Å; V295-L299 HydrophobicContact CG1-CG 4.36Å; V295-L299 WeakPolarHBondContact O-CB 3.22Å; V295-L299 VanDerWaalsContact O-CG 3.29Å; V295-L299 WeakPolarHBondContact O-CG 3.44Å; V295-L299 PolarHBondContact O-N 3.24Å; N296-L299 PolarHBondContact O-N 3.39Å; C297-L299 PolarHBondContact O-N 3.13Å; L299-Y301 VanDerWaalsContact C-N 3.32Å; L299-Y301 PolarHBondContact O-N 2.98Å; L299-H302 PolarHBondContact O-N 2.86Å; L299-P305 HydrophobicContact CD2-CB 3.95Å; L299-P305 HydrophobicContact CD2-CG 3.8Å; L299-L331 HydrophobicContact CD1-CD2 4.03Å; L299-Y334 HydrophobicContact CB-CE2 4.22Å; L299-Y334 HydrophobicContact CD1-CD2 3.92Å; L299-Y334 HydrophobicContact CD1-CE2 3.92Å; L299-Y334 HydrophobicContact CD1-CG 4.37Å; L299-Y334 HydrophobicContact CD2-CD1 4.19Å; L299-Y334 HydrophobicContact CD2-CE1 4.02Å; L299-Y334 HydrophobicContact CG-CE2 4.46Å
300	R	88.2	Confident	93.3	Very high	82 Å²	82	23.5 Å²	23.5	31%	0.309	13%	0.128	S	C	.	.	H	α-helix	trans	-59.4	-39.5	173.9	-73.9	168.5	178.1	159.4	0.5	113	N296 C297 L298 H302 E469	N296-R300 VanDerWaalsContact O-CG 3.29Å; N296-R300 WeakPolarHBondContact O-CG 3.2Å; N296-R300 PolarHBondContact O-N 3.2Å; N296-R300 VanDerWaalsContact O-N 3.08Å; C297-R300 PolarHBondContact O-N 2.86Å; L298-R300 PolarHBondContact O-N 3.29Å; R300-H302 PolarHBondContact O-N 2.77Å; R300-E469 IonicContact CZ-OE1 3.12Å; R300-E469 IonicContact NH2-OE1 2.67Å; R300-E469 PolarHBondContact NH2-OE1 2.98Å; R300-E469 IonicContact NH2-OE2 3.93Å
301	Y	88.2	Confident	93	Very high	13 Å²	13	26 Å²	26	5%	0.051	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	24.6	176.1	-68	-93.1	0	0	0	112.6	E261 L264 R265 C297 L298 L299 A303	E261-Y301 HydrophobicContact CG-CE2 3.76Å; L264-Y301 HydrophobicContact CB-CD1 3.78Å; L264-Y301 HydrophobicContact CB-CD2 4.05Å; L264-Y301 HydrophobicContact CB-CE1 4.29Å; L264-Y301 HydrophobicContact CB-CG 3.68Å; L264-Y301 HydrophobicContact CD1-CD2 3.93Å; L264-Y301 HydrophobicContact CD1-CG 4.04Å; L264-Y301 HydrophobicContact CD2-CG 4.48Å; L264-Y301 HydrophobicContact CG-CG 4.28Å; R265-Y301 HydrophobicContact CB-CE1 3.75Å; R265-Y301 WeakPolarHBondContact CB-OH 3.36Å; R265-Y301 WeakPolarHBondContact CD-OH 3.29Å; R265-Y301 HydrophobicContact CG-CE1 4.34Å; C297-Y301 VanDerWaalsContact O-CD2 3.31Å; C297-Y301 WeakPolarHBondContact O-CD2 3.39Å; C297-Y301 PolarHBondContact O-N 3.18Å; L298-Y301 CarbonylContact O-C 3.48Å; L298-Y301 PolarHBondContact O-N 3.48Å; L299-Y301 VanDerWaalsContact C-N 3.32Å; L299-Y301 PolarHBondContact O-N 2.98Å; Y301-A303 PolarHBondContact O-N 2.94Å
302	H	89.9	Confident	92.7	Very high	65 Å²	65	26.9 Å²	26.9	30%	0.301	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.3	28.9	170.9	-48.8	-70.8	0	0	0	116.2	Q272 L298 L299 R300 A304 R433 F434	Q272-H302 PolarHBondContact NE2-O 2.93Å; L298-H302 PolarHBondContact O-N 3.14Å; L299-H302 PolarHBondContact O-N 2.86Å; R300-H302 PolarHBondContact O-N 2.77Å; H302-A304 PolarHBondContact O-N 3.14Å; H302-R433 PolarHBondContact CD2-NE 2.82Å; H302-R433 PolarHBondContact NE2-NE 2.9Å; H302-R433 VanDerWaalsContact NE2-NE 3.1Å; H302-F434 HydrophobicContact CB-CE2 3.84Å; H302-F434 HydrophobicContact CB-CZ 4.13Å; H302-F434 VanDerWaalsContact O-CE2 3.3Å; H302-F434 WeakPolarHBondContact O-CE2 3.43Å
303	A	94.3	Very high	92.7	Very high	3 Å²	3	28.5 Å²	28.5	3%	0.025	16%	0.155	C	C	.	.			trans	-55.1	135.7	164.3	0	0	0	0	0	110.4	P271 L283 L298 Y301 P305	P271-A303 HydrophobicContact CB-CB 3.78Å; P271-A303 HydrophobicContact CG-CB 4.26Å; L283-A303 HydrophobicContact CB-CB 4.32Å; L283-A303 HydrophobicContact CD2-CB 4.11Å; L298-A303 HydrophobicContact CB-CB 3.75Å; L298-A303 WeakPolarHBondContact O-CB 3.48Å; L298-A303 PolarHBondContact O-N 3.2Å; Y301-A303 PolarHBondContact O-N 2.94Å; A303-P305 VanDerWaalsContact O-CD 3.3Å; A303-P305 WeakPolarHBondContact O-CD 3.34Å
304	A	94.7	Very high	92.8	Very high	4 Å²	4	24.7 Å²	24.7	3%	0.033	14%	0.135	C	C	.	.			trans	-70.6	115.5	-175.6	0	0	0	0	0	110.8	L283 H302 W306 A307 P419	L283-A304 WeakPolarHBondContact CD2-O 3.21Å; H302-A304 PolarHBondContact O-N 3.14Å; A304-W306 VanDerWaalsContact C-N 3.28Å; A304-W306 PolarHBondContact O-N 3.23Å; A304-A307 HydrophobicContact CB-CB 4.16Å; A304-A307 PolarHBondContact O-N 3.18Å; A304-P419 HydrophobicContact CB-CB 3.57Å; A304-P419 HydrophobicContact CB-CG 3.86Å
305	P	93.8	Very high	92.7	Very high	15 Å²	15	24.7 Å²	24.7	10%	0.097	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-33.2	-169.5	-19.6	30.6	0	0	0	113.4	L299 A303 P315 Y334	L299-P305 HydrophobicContact CD2-CB 3.95Å; L299-P305 HydrophobicContact CD2-CG 3.8Å; A303-P305 VanDerWaalsContact O-CD 3.3Å; A303-P305 WeakPolarHBondContact O-CD 3.34Å; P305-P315 WeakPolarHBondContact O-CD 3.35Å; P305-Y334 HydrophobicContact CB-CD1 3.95Å; P305-Y334 HydrophobicContact CG-CD1 3.55Å; P305-Y334 HydrophobicContact CG-CE1 3.75Å
306	W	94.9	Very high	92.6	Very high	3 Å²	3	25.8 Å²	25.8	1%	0.011	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-116.5	43.5	179.9	-47.9	-76.8	0	0	0	111	A304 M314 Y334 P336 F403 H406 L420 L422	A304-W306 VanDerWaalsContact C-N 3.28Å; A304-W306 PolarHBondContact O-N 3.23Å; W306-M314 HydrophobicContact CB-SD 3.89Å; W306-M314 HydrophobicContact CG-SD 4.41Å; W306-Y334 VanDerWaalsContact CH2-O 3.23Å; W306-Y334 WeakPolarHBondContact CH2-O 3.38Å; W306-Y334 VanDerWaalsContact CZ2-O 3.31Å; W306-Y334 WeakPolarHBondContact CZ2-O 3.18Å; W306-P336 HydrophobicContact CH2-CG 4.13Å; W306-P336 HydrophobicContact CZ3-CG 4.07Å; W306-F403 HydrophobicContact CB-CZ 4.12Å; W306-F403 AromaticContact CD1-CZ 3.77Å; W306-F403 HydrophobicContact CD2-CE1 4.29Å; W306-F403 AromaticContact CD2-CZ 3.82Å; W306-F403 HydrophobicContact CD2-CZ 3.82Å; W306-F403 HydrophobicContact CE3-CZ 4.46Å; W306-F403 HydrophobicContact CG-CE2 4.44Å; W306-F403 AromaticContact CG-CZ 3.62Å; W306-F403 HydrophobicContact CG-CZ 3.62Å; W306-H406 AromaticContact CH2-NE2 3.83Å; W306-H406 AromaticContact CZ2-CD2 3.55Å; W306-H406 AromaticContact CZ2-NE2 3.59Å; W306-L420 HydrophobicContact CB-CB 3.99Å; W306-L420 PolarHBondContact O-N 2.88Å; W306-L422 HydrophobicContact CE3-CD2 4.37Å; W306-L422 HydrophobicContact CH2-CD1 3.9Å; W306-L422 HydrophobicContact CH2-CD2 3.72Å; W306-L422 HydrophobicContact CH2-CG 3.86Å; W306-L422 HydrophobicContact CZ2-CD2 4.33Å; W306-L422 HydrophobicContact CZ3-CD1 4.17Å; W306-L422 HydrophobicContact CZ3-CD2 3.75Å; W306-L422 HydrophobicContact CZ3-CG 3.7Å
307	A	95	Very high	92.7	Very high	3 Å²	3	28.7 Å²	28.7	3%	0.025	15%	0.153	C	C	.	.			trans	-61.6	153.2	160	0	0	0	0	0	110.5	H284 A304 M314 P315 P419	H284-A307 PolarHBondContact NE2-O 2.72Å; A304-A307 HydrophobicContact CB-CB 4.16Å; A304-A307 PolarHBondContact O-N 3.18Å; A307-M314 WeakPolarHBondContact O-CA 3.45Å; A307-P315 WeakPolarHBondContact O-CD 3.27Å; A307-P419 HydrophobicContact CB-CB 4.23Å
308	R	93.8	Very high	92.6	Very high	47 Å²	47	28.5 Å²	28.5	18%	0.177	15%	0.152	C	C	.	.			trans	-116.6	132.9	-180	-65.6	175.7	-70.2	176.3	1.9	110	K274 E313 M314 D416 G418	K274-R308 PolarHBondContact NZ-O 3.23Å; R308-E313 WeakPolarHBondContact CA-O 3.46Å; R308-M314 HydrophobicContact CG-CG 4.21Å; R308-D416 PolarHBondContact NH2-O 3.26Å; R308-G418 PolarHBondContact NE-O 2.89Å; R308-G418 VanDerWaalsContact NE-O 3.13Å; R308-G418 PolarHBondContact NH2-O 2.8Å
309	N	92.7	Very high	92.4	Very high	13 Å²	13	28.5 Å²	28.5	7%	0.07	15%	0.152	C	C	.	.			trans	-82	-160.5	178.2	76.2	-5.2	0	0	0	112.6	S278 N280 H284 E311 A312 E313	S278-N309 WeakPolarHBondContact O-CB 3.45Å; N280-N309 VanDerWaalsContact OD1-CB 3.32Å; N280-N309 WeakPolarHBondContact OD1-CB 3.49Å; N280-N309 PolarHBondContact OD1-ND2 3.24Å; N280-N309 VanDerWaalsContact OD1-ND2 3.12Å; H284-N309 PolarHBondContact NE2-N 2.74Å; N309-E311 PolarHBondContact ND2-OE2 3.43Å; N309-E311 WeakPolarHBondContact OD1-CA 3.42Å; N309-E311 PolarHBondContact OD1-N 2.94Å; N309-A312 PolarHBondContact O-N 3.11Å; N309-A312 PolarHBondContact OD1-N 3.02Å; N309-E313 PolarHBondContact N-O 3.26Å; N309-E313 PolarHBondContact OD1-N 2.94Å; N309-E313 PolarHBondContact OD1-O 2.9Å
310	A	87.6	Confident	92.2	Very high	64 Å²	64	33.2 Å²	33.2	53%	0.529	18%	0.176	S	C	.	.	S	Bend	trans	-71.3	-36.4	179.2	0	0	0	0	0	112.5	S278 A312	S278-A310 VanDerWaalsContact O-CB 3.27Å; S278-A310 WeakPolarHBondContact O-CB 3.35Å; S278-A310 PolarHBondContact O-N 2.66Å; A310-A312 PolarHBondContact O-N 3.27Å
311	E	87.5	Confident	92.2	Very high	73 Å²	73	32.5 Å²	32.5	34%	0.341	17%	0.174	S	C	.	.	S	Bend	trans	-76	-2.2	173.9	-63.3	63.5	-137.2	0	0	112.7	N309 E313	N309-E311 PolarHBondContact ND2-OE2 3.43Å; N309-E311 WeakPolarHBondContact OD1-CA 3.42Å; N309-E311 PolarHBondContact OD1-N 2.94Å; E311-E313 VanDerWaalsContact C-N 3.26Å; E311-E313 HydrophobicContact CB-CG 4.07Å; E311-E313 PolarHBondContact O-N 2.84Å
312	A	90.6	Very high	92.2	Very high	60 Å²	60	33.3 Å²	33.3	50%	0.496	18%	0.177	S	C	.	.			trans	67.8	11.6	-173	0	0	0	0	0	116	N309 A310	N309-A312 PolarHBondContact O-N 3.11Å; N309-A312 PolarHBondContact OD1-N 3.02Å; A310-A312 PolarHBondContact O-N 3.27Å
313	E	92.4	Very high	91.9	Very high	41 Å²	41	32.8 Å²	32.8	19%	0.192	19%	0.189	C	C	.	.			trans	-73	151.7	174.6	-59.1	179	114.7	0	0	111.8	H284 R308 N309 E311 E317 L318 R321	H284-E313 PolarHBondContact NE2-O 3.01Å; R308-E313 WeakPolarHBondContact CA-O 3.46Å; N309-E313 PolarHBondContact N-O 3.26Å; N309-E313 PolarHBondContact OD1-N 2.94Å; N309-E313 PolarHBondContact OD1-O 2.9Å; E311-E313 VanDerWaalsContact C-N 3.26Å; E311-E313 HydrophobicContact CB-CG 4.07Å; E311-E313 PolarHBondContact O-N 2.84Å; E313-E317 WeakPolarHBondContact CA-OE2 3.27Å; E313-L318 HydrophobicContact CB-CD2 4.26Å; E313-R321 IonicContact OE1-CZ 2.72Å; E313-R321 IonicContact OE1-NH1 2.74Å; E313-R321 PolarHBondContact OE1-NH1 3.01Å; E313-R321 IonicContact OE2-CZ 3.52Å; E313-R321 IonicContact OE2-NH1 2.68Å; E313-R321 PolarHBondContact OE2-NH1 3.45Å; E313-R321 IonicContact OE2-NH2 2.67Å
314	M	95.7	Very high	91.7	Very high	15 Å²	15	36.4 Å²	36.4	7%	0.074	20%	0.204	C	C	.	.			trans	-102.6	158.8	178.2	-66.6	175.9	-81	0	0	112.2	W306 A307 R308 F316 E317 L318 F403 F405 L420	W306-M314 HydrophobicContact CB-SD 3.89Å; W306-M314 HydrophobicContact CG-SD 4.41Å; A307-M314 WeakPolarHBondContact O-CA 3.45Å; R308-M314 HydrophobicContact CG-CG 4.21Å; M314-F316 VanDerWaalsContact C-N 3.27Å; M314-F316 HydrophobicContact CB-CD1 3.93Å; M314-F316 HydrophobicContact CB-CE1 3.94Å; M314-F316 HydrophobicContact CE-CE1 3.56Å; M314-F316 HydrophobicContact CE-CZ 3.91Å; M314-F316 PolarHBondContact O-N 2.9Å; M314-F316 VanDerWaalsContact O-N 3.14Å; M314-F316 HydrophobicContact SD-CE1 3.84Å; M314-E317 HydrophobicContact CB-CG 4.32Å; M314-E317 HydrophobicContact CE-CG 4.48Å; M314-E317 PolarHBondContact N-OE2 2.9Å; M314-E317 WeakPolarHBondContact O-CB 3.45Å; M314-E317 PolarHBondContact O-N 2.93Å; M314-L318 PolarHBondContact O-N 2.88Å; M314-L318 VanDerWaalsContact O-N 3.13Å; M314-F403 HydrophobicContact SD-CE2 4.45Å; M314-F405 HydrophobicContact CE-CE1 4.09Å; M314-F405 HydrophobicContact CE-CZ 4.02Å; M314-F405 HydrophobicContact SD-CZ 4.28Å; M314-L420 HydrophobicContact SD-CD1 3.99Å
315	P	96.3	Very high	91.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-53.4	-37.3	-179.1	-29.5	35.2	0	0	0	115	L283 A287 P305 A307 L318 A319 L331	L283-P315 HydrophobicContact CB-CG 4.46Å; L283-P315 HydrophobicContact CD2-CB 4.41Å; L283-P315 HydrophobicContact CD2-CG 4.01Å; L283-P315 HydrophobicContact CG-CB 4.04Å; L283-P315 HydrophobicContact CG-CG 3.93Å; A287-P315 HydrophobicContact CB-CB 3.9Å; A287-P315 WeakPolarHBondContact CB-O 3.43Å; P305-P315 WeakPolarHBondContact O-CD 3.35Å; A307-P315 WeakPolarHBondContact O-CD 3.27Å; P315-L318 PolarHBondContact O-N 3.09Å; P315-A319 PolarHBondContact O-N 3.32Å; P315-L331 HydrophobicContact CB-CD1 4.34Å
316	F	94.6	Very high	90.9	Very high	23 Å²	23	41.8 Å²	41.8	10%	0.101	24%	0.239	C	C	.	.	H	α-helix	trans	-70.8	-31.9	178.2	82.3	-95	0	0	0	112.9	M314 A319 L320 A328 L331 A332 F405	M314-F316 VanDerWaalsContact C-N 3.27Å; M314-F316 HydrophobicContact CB-CD1 3.93Å; M314-F316 HydrophobicContact CB-CE1 3.94Å; M314-F316 HydrophobicContact CE-CE1 3.56Å; M314-F316 HydrophobicContact CE-CZ 3.91Å; M314-F316 PolarHBondContact O-N 2.9Å; M314-F316 VanDerWaalsContact O-N 3.14Å; M314-F316 HydrophobicContact SD-CE1 3.84Å; F316-A319 PolarHBondContact O-N 2.92Å; F316-L320 WeakPolarHBondContact O-CB 3.49Å; F316-L320 PolarHBondContact O-N 3.48Å; F316-A328 VanDerWaalsContact O-CB 3.28Å; F316-A328 WeakPolarHBondContact O-CB 2.97Å; F316-L331 HydrophobicContact CB-CB 3.55Å; F316-A332 HydrophobicContact CB-CB 4.3Å; F316-A332 HydrophobicContact CD1-CB 4.39Å; F316-A332 HydrophobicContact CD2-CB 3.83Å; F316-A332 HydrophobicContact CE2-CB 4.23Å; F316-A332 HydrophobicContact CG-CB 3.93Å; F316-F405 HydrophobicContact CD1-CE2 4.39Å; F316-F405 HydrophobicContact CE1-CD2 4.4Å; F316-F405 HydrophobicContact CE1-CE1 4.47Å; F316-F405 AromaticContact CE1-CE2 3.48Å; F316-F405 HydrophobicContact CE1-CE2 3.48Å; F316-F405 VanDerWaalsContact CE1-CE2 3.48Å; F316-F405 AromaticContact CE1-CZ 3.51Å; F316-F405 HydrophobicContact CE1-CZ 3.51Å; F316-F405 HydrophobicContact CE2-CE2 4.41Å; F316-F405 AromaticContact CZ-CD2 3.98Å; F316-F405 HydrophobicContact CZ-CD2 3.98Å; F316-F405 HydrophobicContact CZ-CE1 4.34Å; F316-F405 AromaticContact CZ-CE2 3.49Å; F316-F405 HydrophobicContact CZ-CE2 3.49Å; F316-F405 VanDerWaalsContact CZ-CE2 3.49Å; F316-F405 AromaticContact CZ-CZ 3.69Å; F316-F405 HydrophobicContact CZ-CZ 3.69Å
317	E	93.5	Very high	90.7	Very high	68 Å²	68	42 Å²	42	32%	0.318	24%	0.24	S	C	.	.	H	α-helix	trans	-70.6	-37.1	177.4	-59.8	176	135.8	0	0	110	E313 M314 L320 R321	E313-E317 WeakPolarHBondContact CA-OE2 3.27Å; M314-E317 HydrophobicContact CB-CG 4.32Å; M314-E317 HydrophobicContact CE-CG 4.48Å; M314-E317 PolarHBondContact N-OE2 2.9Å; M314-E317 WeakPolarHBondContact O-CB 3.45Å; M314-E317 PolarHBondContact O-N 2.93Å; E317-L320 PolarHBondContact O-N 3.13Å; E317-R321 VanDerWaalsContact O-CB 3.25Å; E317-R321 WeakPolarHBondContact O-CB 3.46Å; E317-R321 PolarHBondContact O-N 2.82Å
318	L	91	Very high	90.5	Very high	1 Å²	1	42 Å²	42	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-65.3	-46.5	169.4	-61.1	-177.9	0	0	0	111.9	H284 M288 E313 M314 P315 L320 R321 Y322	H284-L318 HydrophobicContact CB-CD1 3.69Å; M288-L318 HydrophobicContact CB-CB 4.07Å; M288-L318 HydrophobicContact CB-CD1 4.37Å; E313-L318 HydrophobicContact CB-CD2 4.26Å; M314-L318 PolarHBondContact O-N 2.88Å; M314-L318 VanDerWaalsContact O-N 3.13Å; P315-L318 PolarHBondContact O-N 3.09Å; L318-L320 VanDerWaalsContact C-N 3.26Å; L318-L320 PolarHBondContact O-N 3.48Å; L318-R321 VanDerWaalsContact CD2-NH2 3.29Å; L318-R321 PolarHBondContact O-N 2.92Å; L318-Y322 VanDerWaalsContact O-CD2 3.3Å; L318-Y322 WeakPolarHBondContact O-CD2 3.36Å; L318-Y322 PolarHBondContact O-N 3.45Å; L318-Y322 VanDerWaalsContact O-N 3.09Å
319	A	91.2	Very high	90.3	Very high	0 Å²	0	43 Å²	43	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-55.4	-44.1	174.5	0	0	0	0	0	111.6	A287 P315 F316 G323 F324 L327 A328 L331	A287-A319 HydrophobicContact CB-CB 4.2Å; A287-A319 WeakPolarHBondContact O-CA 3.36Å; P315-A319 PolarHBondContact O-N 3.32Å; F316-A319 PolarHBondContact O-N 2.92Å; A319-G323 PolarHBondContact O-N 3.41Å; A319-F324 HydrophobicContact CB-CB 4.27Å; A319-F324 WeakPolarHBondContact O-CA 3.31Å; A319-F324 WeakPolarHBondContact O-CB 3.4Å; A319-F324 PolarHBondContact O-N 2.9Å; A319-L327 HydrophobicContact CB-CB 4.48Å; A319-L327 HydrophobicContact CB-CG 4.38Å; A319-A328 HydrophobicContact CB-CB 3.91Å; A319-L331 HydrophobicContact CB-CD1 4.45Å
320	L	90.3	Very high	90.1	Very high	105 Å²	105	43 Å²	43	55%	0.55	26%	0.26	S	S	.	.	H	α-helix	trans	-65.1	-46.1	177.8	-173	61.1	0	0	0	111.9	F316 E317 L318 Y322 G323 A325 A328	F316-L320 WeakPolarHBondContact O-CB 3.49Å; F316-L320 PolarHBondContact O-N 3.48Å; E317-L320 PolarHBondContact O-N 3.13Å; L318-L320 VanDerWaalsContact C-N 3.26Å; L318-L320 PolarHBondContact O-N 3.48Å; L320-Y322 VanDerWaalsContact C-N 3.26Å; L320-Y322 PolarHBondContact O-N 3.43Å; L320-G323 PolarHBondContact O-N 2.87Å; L320-G323 VanDerWaalsContact O-N 3.09Å; L320-A325 HydrophobicContact CD1-CB 4.5Å; L320-A328 HydrophobicContact CB-CB 3.74Å; L320-A328 HydrophobicContact CD1-CB 4.36Å
321	R	88.1	Confident	90.3	Very high	66 Å²	66	40 Å²	40	25%	0.249	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-31.8	-178.8	-173.8	174.8	77.3	-169.2	0.4	113.2	E313 E317 L318	E313-R321 IonicContact OE1-CZ 2.72Å; E313-R321 IonicContact OE1-NH1 2.74Å; E313-R321 PolarHBondContact OE1-NH1 3.01Å; E313-R321 IonicContact OE2-CZ 3.52Å; E313-R321 IonicContact OE2-NH1 2.68Å; E313-R321 PolarHBondContact OE2-NH1 3.45Å; E313-R321 IonicContact OE2-NH2 2.67Å; E317-R321 VanDerWaalsContact O-CB 3.25Å; E317-R321 WeakPolarHBondContact O-CB 3.46Å; E317-R321 PolarHBondContact O-N 2.82Å; L318-R321 VanDerWaalsContact CD2-NH2 3.29Å; L318-R321 PolarHBondContact O-N 2.92Å
322	Y	87.6	Confident	90.5	Very high	31 Å²	31	37.4 Å²	37.4	12%	0.122	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	12.4	177.9	-69.8	-103.1	0	0	0	113.4	V35 M288 L318 L320	V35-Y322 HydrophobicContact CG1-CE2 4.47Å; V35-Y322 WeakPolarHBondContact CG1-OH 3.44Å; M288-Y322 HydrophobicContact CG-CD1 4.35Å; M288-Y322 HydrophobicContact CG-CD2 3.73Å; M288-Y322 HydrophobicContact CG-CE1 4.16Å; M288-Y322 HydrophobicContact CG-CE2 3.48Å; M288-Y322 VanDerWaalsContact CG-CE2 3.48Å; M288-Y322 HydrophobicContact CG-CG 4.14Å; M288-Y322 WeakPolarHBondContact O-CB 3.44Å; M288-Y322 HydrophobicContact SD-CE2 3.77Å; L318-Y322 VanDerWaalsContact O-CD2 3.3Å; L318-Y322 WeakPolarHBondContact O-CD2 3.36Å; L318-Y322 PolarHBondContact O-N 3.45Å; L318-Y322 VanDerWaalsContact O-N 3.09Å; L320-Y322 VanDerWaalsContact C-N 3.26Å; L320-Y322 PolarHBondContact O-N 3.43Å
323	G	83.8	Confident	90.3	Very high	53 Å²	53	35.6 Å²	35.6	55%	0.546	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.5	2.6	169.6	0	0	0	0	0	116.2	A319 L320 A325	A319-G323 PolarHBondContact O-N 3.41Å; L320-G323 PolarHBondContact O-N 2.87Å; L320-G323 VanDerWaalsContact O-N 3.09Å; G323-A325 PolarHBondContact O-N 3.2Å
324	F	89.5	Confident	90.2	Very high	80 Å²	80	34.8 Å²	34.8	35%	0.351	21%	0.209	S	C	.	.			trans	-85.7	59.5	179.8	-53.5	-70.5	0	0	0	111.6	M288 L289 G290 A319 D326 L327 A328	M288-F324 WeakPolarHBondContact O-CE2 3.31Å; L289-F324 VanDerWaalsContact C-CE2 3.48Å; G290-F324 VanDerWaalsContact CA-CG 3.47Å; G290-F324 VanDerWaalsContact N-CE2 3.3Å; A319-F324 HydrophobicContact CB-CB 4.27Å; A319-F324 WeakPolarHBondContact O-CA 3.31Å; A319-F324 WeakPolarHBondContact O-CB 3.4Å; A319-F324 PolarHBondContact O-N 2.9Å; F324-D326 PolarHBondContact O-N 3.46Å; F324-L327 HydrophobicContact CB-CB 4.06Å; F324-L327 HydrophobicContact CB-CD2 4.44Å; F324-L327 WeakPolarHBondContact O-CB 3.5Å; F324-L327 PolarHBondContact O-N 3.26Å; F324-L327 VanDerWaalsContact O-N 3.09Å; F324-A328 PolarHBondContact O-N 2.83Å
325	A	85.1	Confident	89.9	Confident	54 Å²	54	38 Å²	38	45%	0.446	22%	0.222	S	C	.	.	H	α-helix	trans	-56.1	-43.2	-170.8	0	0	0	0	0	114.2	L320 G323 L327 A328 A329	L320-A325 HydrophobicContact CD1-CB 4.5Å; G323-A325 PolarHBondContact O-N 3.2Å; A325-L327 PolarHBondContact O-N 2.92Å; A325-A328 WeakPolarHBondContact O-CB 3.39Å; A325-A328 PolarHBondContact O-N 3.1Å; A325-A329 PolarHBondContact O-N 2.94Å
326	D	87.1	Confident	89.4	Confident	78 Å²	78	39.7 Å²	39.7	42%	0.417	23%	0.233	S	C	.	.	H	α-helix	trans	-64.4	-39.8	177.2	-59.4	-68.9	0	0	0	112.3	F324 A328 A329 A330 W482	F324-D326 PolarHBondContact O-N 3.46Å; D326-A328 VanDerWaalsContact C-N 3.33Å; D326-A329 PolarHBondContact O-N 2.84Å; D326-A330 WeakPolarHBondContact O-CB 3.47Å; D326-A330 PolarHBondContact O-N 3.1Å; D326-W482 HydrophobicContact CB-CB 4.21Å; D326-W482 HydrophobicContact CB-CG 4.33Å
327	L	91.6	Very high	88.9	Confident	7 Å²	7	41.5 Å²	41.5	4%	0.037	25%	0.253	C	S	.	.	H	α-helix	trans	-69	-34	176.8	-175.5	61	0	0	0	111.3	A292 V295 A319 F324 A325 L331 L470	A292-L327 HydrophobicContact CB-CD1 3.92Å; A292-L327 HydrophobicContact CB-CD2 4.49Å; V295-L327 HydrophobicContact CB-CD1 4.32Å; V295-L327 HydrophobicContact CG1-CD1 4.14Å; V295-L327 HydrophobicContact CG2-CD1 4.32Å; V295-L327 HydrophobicContact CG2-CD2 4.27Å; A319-L327 HydrophobicContact CB-CB 4.48Å; A319-L327 HydrophobicContact CB-CG 4.38Å; F324-L327 HydrophobicContact CB-CB 4.06Å; F324-L327 HydrophobicContact CB-CD2 4.44Å; F324-L327 WeakPolarHBondContact O-CB 3.5Å; F324-L327 PolarHBondContact O-N 3.26Å; F324-L327 VanDerWaalsContact O-N 3.09Å; A325-L327 PolarHBondContact O-N 2.92Å; L327-L331 HydrophobicContact CD1-CD1 4.45Å; L327-L331 HydrophobicContact CG-CD1 4.18Å; L327-L331 WeakPolarHBondContact O-CB 3.3Å; L327-L331 WeakPolarHBondContact O-CG 3.43Å; L327-L331 PolarHBondContact O-N 3.12Å; L327-L470 HydrophobicContact CD1-CD1 4.34Å
328	A	91	Very high	88.6	Confident	4 Å²	4	43.9 Å²	43.9	3%	0.033	27%	0.274	C	S	.	.	H	α-helix	trans	-66.3	-48.2	172.9	0	0	0	0	0	111.9	F316 A319 L320 F324 A325 D326 A330 L331 A332	F316-A328 VanDerWaalsContact O-CB 3.28Å; F316-A328 WeakPolarHBondContact O-CB 2.97Å; A319-A328 HydrophobicContact CB-CB 3.91Å; L320-A328 HydrophobicContact CB-CB 3.74Å; L320-A328 HydrophobicContact CD1-CB 4.36Å; F324-A328 PolarHBondContact O-N 2.83Å; A325-A328 WeakPolarHBondContact O-CB 3.39Å; A325-A328 PolarHBondContact O-N 3.1Å; D326-A328 VanDerWaalsContact C-N 3.33Å; A328-A330 VanDerWaalsContact C-N 3.31Å; A328-A330 PolarHBondContact O-N 3.47Å; A328-L331 PolarHBondContact O-N 2.9Å; A328-A332 VanDerWaalsContact O-CB 3.27Å; A328-A332 WeakPolarHBondContact O-CB 3.39Å; A328-A332 PolarHBondContact O-N 3.37Å
329	A	88.6	Confident	88.5	Confident	68 Å²	68	44.9 Å²	44.9	56%	0.562	28%	0.283	S	S	*	.	H	α-helix	trans	-59.9	-43.2	175.6	0	0	0	0	0	111.6	A325 D326 A332 G333	A325-A329 PolarHBondContact O-N 2.94Å; D326-A329 PolarHBondContact O-N 2.84Å; A329-A332 PolarHBondContact O-N 2.92Å; A329-G333 PolarHBondContact O-N 3.42Å
330	A	89.8	Confident	88.3	Confident	12 Å²	12	47 Å²	47	10%	0.099	29%	0.293	C	S	.	.	H	α-helix	trans	-60.2	-42	174.9	0	0	0	0	0	114.2	D326 A328 Y334 L470	D326-A330 WeakPolarHBondContact O-CB 3.47Å; D326-A330 PolarHBondContact O-N 3.1Å; A328-A330 VanDerWaalsContact C-N 3.31Å; A328-A330 PolarHBondContact O-N 3.47Å; A330-Y334 PolarHBondContact O-N 3.3Å; A330-L470 HydrophobicContact CB-CD1 3.75Å; A330-L470 HydrophobicContact CB-CD2 3.46Å; A330-L470 VanDerWaalsContact CB-CD2 3.46Å; A330-L470 HydrophobicContact CB-CG 4.22Å
331	L	91.9	Very high	88.4	Confident	1 Å²	1	42 Å²	42	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-74.2	-39.8	176.5	-83.1	164.9	0	0	0	112.4	A287 V295 L299 P315 F316 A319 L327 A328 G333 Y334	A287-L331 HydrophobicContact CB-CD1 3.63Å; V295-L331 HydrophobicContact CG1-CD1 4.26Å; V295-L331 HydrophobicContact CG1-CD2 3.71Å; V295-L331 HydrophobicContact CG1-CG 4.08Å; L299-L331 HydrophobicContact CD1-CD2 4.03Å; P315-L331 HydrophobicContact CB-CD1 4.34Å; F316-L331 HydrophobicContact CB-CB 3.55Å; A319-L331 HydrophobicContact CB-CD1 4.45Å; L327-L331 HydrophobicContact CD1-CD1 4.45Å; L327-L331 HydrophobicContact CG-CD1 4.18Å; L327-L331 WeakPolarHBondContact O-CB 3.3Å; L327-L331 WeakPolarHBondContact O-CG 3.43Å; L327-L331 PolarHBondContact O-N 3.12Å; A328-L331 PolarHBondContact O-N 2.9Å; L331-G333 VanDerWaalsContact C-N 3.35Å; L331-Y334 WeakPolarHBondContact O-CB 3.19Å; L331-Y334 PolarHBondContact O-N 2.89Å
332	A	90.3	Very high	88.6	Confident	18 Å²	18	42.8 Å²	42.8	15%	0.149	28%	0.279	C	S	.	.	H	α-helix	trans	-64.6	-39.1	178.4	0	0	0	0	0	111.9	F316 A328 A329 H406	F316-A332 HydrophobicContact CB-CB 4.3Å; F316-A332 HydrophobicContact CD1-CB 4.39Å; F316-A332 HydrophobicContact CD2-CB 3.83Å; F316-A332 HydrophobicContact CE2-CB 4.23Å; F316-A332 HydrophobicContact CG-CB 3.93Å; A328-A332 VanDerWaalsContact O-CB 3.27Å; A328-A332 WeakPolarHBondContact O-CB 3.39Å; A328-A332 PolarHBondContact O-N 3.37Å; A329-A332 PolarHBondContact O-N 2.92Å; A332-H406 PolarHBondContact O-CD2 2.82Å
333	G	86.5	Confident	88.9	Confident	22 Å²	22	44.6 Å²	44.6	23%	0.227	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	12.4	176	0	0	0	0	0	115.5	A329 L331	A329-G333 PolarHBondContact O-N 3.42Å; L331-G333 VanDerWaalsContact C-N 3.35Å
334	Y	90.6	Very high	89.4	Confident	25 Å²	25	48.4 Å²	48.4	10%	0.098	30%	0.297	C	S	.	.			trans	-64.5	134.3	-177.2	177.6	-100.8	0	0	0	112	L299 P305 W306 A330 L331 P336 H406 L484	L299-Y334 HydrophobicContact CB-CE2 4.22Å; L299-Y334 HydrophobicContact CD1-CD2 3.92Å; L299-Y334 HydrophobicContact CD1-CE2 3.92Å; L299-Y334 HydrophobicContact CD1-CG 4.37Å; L299-Y334 HydrophobicContact CD2-CD1 4.19Å; L299-Y334 HydrophobicContact CD2-CE1 4.02Å; L299-Y334 HydrophobicContact CG-CE2 4.46Å; P305-Y334 HydrophobicContact CB-CD1 3.95Å; P305-Y334 HydrophobicContact CG-CD1 3.55Å; P305-Y334 HydrophobicContact CG-CE1 3.75Å; W306-Y334 VanDerWaalsContact CH2-O 3.23Å; W306-Y334 WeakPolarHBondContact CH2-O 3.38Å; W306-Y334 VanDerWaalsContact CZ2-O 3.31Å; W306-Y334 WeakPolarHBondContact CZ2-O 3.18Å; A330-Y334 PolarHBondContact O-N 3.3Å; L331-Y334 WeakPolarHBondContact O-CB 3.19Å; L331-Y334 PolarHBondContact O-N 2.89Å; Y334-P336 HydrophobicContact CD1-CG 4.24Å; Y334-P336 HydrophobicContact CE1-CB 4.4Å; Y334-P336 HydrophobicContact CE1-CG 4.04Å; Y334-H406 PolarHBondContact O-NE2 3.04Å; Y334-L484 HydrophobicContact CD2-CD2 4.16Å
335	K	88.9	Confident	89.6	Confident	82 Å²	82	46.4 Å²	46.4	36%	0.357	29%	0.29	S	S	.	.			trans	-111.6	108.2	179.4	-54.2	-163.6	-174.4	-150.9	0	110.4	D408	K335-D408 WeakPolarHBondContact CD-OD2 3.13Å; K335-D408 WeakPolarHBondContact CE-OD2 3.5Å; K335-D408 IonicContact NZ-OD1 3.47Å; K335-D408 PolarHBondContact NZ-OD1 2.6Å; K335-D408 IonicContact NZ-OD2 2.7Å; K335-D408 PolarHBondContact NZ-OD2 3.03Å
336	P	86.4	Confident	90.1	Very high	35 Å²	35	43.9 Å²	43.9	23%	0.227	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-56.6	154.7	171.3	-24.3	34	0	0	0	112.1	W306 Y334 L422	W306-P336 HydrophobicContact CH2-CG 4.13Å; W306-P336 HydrophobicContact CZ3-CG 4.07Å; Y334-P336 HydrophobicContact CD1-CG 4.24Å; Y334-P336 HydrophobicContact CE1-CB 4.4Å; Y334-P336 HydrophobicContact CE1-CG 4.04Å; P336-L422 HydrophobicContact CG-CD1 4.33Å
337	A	84.6	Confident	90.6	Very high	62 Å²	62	41.8 Å²	41.8	51%	0.512	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-63.4	147.1	166.1	0	0	0	0	0	110.2
338	P	87.5	Confident	90.7	Very high	117 Å²	117	42.1 Å²	42.1	76%	0.76	26%	0.256	S	S	*	.	P	Polyproline II helix	trans	-53.5	140.1	176.7	-26.4	34.7	0	0	0	112.5
339	A	89	Confident	90.7	Very high	23 Å²	23	45.6 Å²	45.6	19%	0.19	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-62.4	152	176.5	0	0	0	0	0	112.5	E425 E429	A339-E425 HydrophobicContact CB-CB 3.65Å; A339-E429 HydrophobicContact CB-CB 3.9Å; A339-E429 HydrophobicContact CB-CG 4.03Å
340	I	86.5	Confident	90.7	Very high	43 Å²	43	47.6 Å²	47.6	22%	0.221	29%	0.288	C	S	.	.	S	Bend	trans	-77.6	-26	-178	-67.5	169.7	0	0	0	111.6	E429 L458 V459	I340-E429 WeakPolarHBondContact CB-OE2 3.38Å; I340-E429 VanDerWaalsContact CD1-OE1 3.29Å; I340-E429 WeakPolarHBondContact CD1-OE1 3.08Å; I340-E429 VanDerWaalsContact CG1-OE1 3.3Å; I340-E429 WeakPolarHBondContact CG1-OE1 3.36Å; I340-E429 PolarHBondContact N-OE2 2.94Å; I340-L458 HydrophobicContact CG2-CB 3.45Å; I340-L458 VanDerWaalsContact CG2-CB 3.45Å; I340-V459 HydrophobicContact CD1-CG2 4.16Å
341	T	91.5	Very high	90.8	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.012	29%	0.29	C	S	.	.			trans	-110.2	154.4	176.9	64.6	0	0	0	0	111.8	D345 W346 I455 L458	T341-D345 WeakPolarHBondContact CA-OD2 3.33Å; T341-W346 PolarHBondContact OG1-NE1 2.85Å; T341-I455 HydrophobicContact CG2-CD1 3.97Å; T341-I455 HydrophobicContact CG2-CG1 3.93Å; T341-I455 HydrophobicContact CG2-CG2 4.2Å; T341-L458 HydrophobicContact CG2-CD1 3.8Å
342	V	93.8	Very high	90.7	Very high	81 Å²	81	50.2 Å²	50.2	49%	0.491	30%	0.304	S	S	.	.			trans	-114.1	161.9	172.4	-66.2	0	0	0	0	110.3	N344 D345 W346	V342-N344 HydrophobicContact CG2-CB 4.21Å; V342-N344 PolarHBondContact O-N 3.04Å; V342-D345 WeakPolarHBondContact CG2-OD2 3.18Å; V342-D345 PolarHBondContact N-OD2 2.84Å; V342-D345 WeakPolarHBondContact O-CB 3.19Å; V342-D345 PolarHBondContact O-N 3.02Å; V342-W346 PolarHBondContact O-NE1 2.81Å
343	Q	94	Very high	90.5	Very high	69 Å²	69	55.5 Å²	55.5	32%	0.322	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-49	-34.1	177.6	-89.5	169.8	72.1	0	0	114.1	D345 W346 Y347 E425	Q343-D345 PolarHBondContact O-N 3.2Å; Q343-D345 VanDerWaalsContact O-N 3.09Å; Q343-W346 HydrophobicContact CB-CH2 4.29Å; Q343-W346 HydrophobicContact CG-CH2 3.42Å; Q343-W346 VanDerWaalsContact CG-CH2 3.42Å; Q343-W346 HydrophobicContact CG-CZ2 4.08Å; Q343-W346 HydrophobicContact CG-CZ3 3.86Å; Q343-W346 PolarHBondContact O-N 3.36Å; Q343-Y347 HydrophobicContact CB-CD1 4.3Å; Q343-Y347 HydrophobicContact CB-CG 4.49Å; Q343-Y347 HydrophobicContact CG-CD1 4.18Å; Q343-Y347 HydrophobicContact CG-CG 4.25Å; Q343-Y347 WeakPolarHBondContact O-CA 3.33Å; Q343-Y347 WeakPolarHBondContact O-CB 3.4Å; Q343-Y347 PolarHBondContact O-N 2.91Å; Q343-Y347 VanDerWaalsContact OE1-CD1 3.31Å; Q343-E425 VanDerWaalsContact CG-OE1 3.3Å; Q343-E425 WeakPolarHBondContact CG-OE1 3.42Å; Q343-E425 PolarHBondContact NE2-OE1 3.01Å
344	N	93.8	Very high	90.5	Very high	133 Å²	133	57.8 Å²	57.8	71%	0.711	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-61.4	-19	178.1	-69.7	-18.2	0	0	0	114.5	V342 P448	V342-N344 HydrophobicContact CG2-CB 4.21Å; V342-N344 PolarHBondContact O-N 3.04Å; N344-P448 WeakPolarHBondContact O-CD 3.42Å
345	D	93.3	Very high	90.5	Very high	39 Å²	39	60.9 Å²	60.9	21%	0.209	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-78.6	-25.7	179.4	-62.7	-51.2	0	0	0	113.1	T341 V342 Q343 A445 I446 S447	T341-D345 WeakPolarHBondContact CA-OD2 3.33Å; V342-D345 WeakPolarHBondContact CG2-OD2 3.18Å; V342-D345 PolarHBondContact N-OD2 2.84Å; V342-D345 WeakPolarHBondContact O-CB 3.19Å; V342-D345 PolarHBondContact O-N 3.02Å; Q343-D345 PolarHBondContact O-N 3.2Å; Q343-D345 VanDerWaalsContact O-N 3.09Å; D345-A445 HydrophobicContact CB-CB 4.41Å; D345-I446 CarbonylContact O-C 3.03Å; D345-S447 VanDerWaalsContact O-CA 3.26Å; D345-S447 WeakPolarHBondContact O-CA 3.38Å; D345-S447 PolarHBondContact O-N 2.87Å; D345-S447 VanDerWaalsContact O-N 3.17Å
346	W	95.3	Very high	90.6	Very high	0 Å²	0	57 Å²	57	0%	0	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-151.5	-6.8	-169.2	45.7	-104.8	0	0	0	116.5	T341 V342 Q343 H348 F371 L372 I373 L424 E425 V428 A445	T341-W346 PolarHBondContact OG1-NE1 2.85Å; V342-W346 PolarHBondContact O-NE1 2.81Å; Q343-W346 HydrophobicContact CB-CH2 4.29Å; Q343-W346 HydrophobicContact CG-CH2 3.42Å; Q343-W346 VanDerWaalsContact CG-CH2 3.42Å; Q343-W346 HydrophobicContact CG-CZ2 4.08Å; Q343-W346 HydrophobicContact CG-CZ3 3.86Å; Q343-W346 PolarHBondContact O-N 3.36Å; W346-H348 PolarHBondContact O-CD2 3.41Å; W346-F371 HydrophobicContact CB-CD2 4.44Å; W346-F371 HydrophobicContact CB-CE2 3.67Å; W346-F371 HydrophobicContact CB-CZ 3.99Å; W346-F371 AromaticContact CD1-CZ 3.96Å; W346-F371 HydrophobicContact CD2-CE2 4.37Å; W346-F371 AromaticContact CG-CE2 3.77Å; W346-F371 HydrophobicContact CG-CE2 3.77Å; W346-F371 HydrophobicContact CG-CZ 4.01Å; W346-L372 WeakPolarHBondContact O-CA 3.25Å; W346-I373 HydrophobicContact CE3-CB 3.81Å; W346-I373 HydrophobicContact CE3-CD1 3.8Å; W346-I373 HydrophobicContact CE3-CG1 3.99Å; W346-I373 HydrophobicContact CH2-CD1 4.44Å; W346-I373 HydrophobicContact CZ3-CB 4Å; W346-I373 HydrophobicContact CZ3-CD1 3.69Å; W346-I373 HydrophobicContact CZ3-CG1 4.25Å; W346-I373 PolarHBondContact O-N 3.45Å; W346-L424 HydrophobicContact CH2-CB 3.61Å; W346-L424 HydrophobicContact CZ3-CB 4.15Å; W346-E425 HydrophobicContact CZ2-CB 4.44Å; W346-E425 HydrophobicContact CZ2-CG 4.07Å; W346-V428 HydrophobicContact CD2-CG2 4.04Å; W346-V428 HydrophobicContact CE3-CG2 4.33Å; W346-V428 HydrophobicContact CH2-CG2 4.26Å; W346-V428 HydrophobicContact CZ2-CB 4.34Å; W346-V428 HydrophobicContact CZ2-CG2 3.92Å; W346-V428 HydrophobicContact CZ3-CG2 4.43Å; W346-A445 HydrophobicContact CB-CB 4Å
347	Y	96.7	Very high	90.5	Very high	34 Å²	34	58 Å²	58	13%	0.133	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.2	-175.9	-179.3	-129	0	0	0	112.8	Q343 P349 I373 F383 P448	Q343-Y347 HydrophobicContact CB-CD1 4.3Å; Q343-Y347 HydrophobicContact CB-CG 4.49Å; Q343-Y347 HydrophobicContact CG-CD1 4.18Å; Q343-Y347 HydrophobicContact CG-CG 4.25Å; Q343-Y347 WeakPolarHBondContact O-CA 3.33Å; Q343-Y347 WeakPolarHBondContact O-CB 3.4Å; Q343-Y347 PolarHBondContact O-N 2.91Å; Q343-Y347 VanDerWaalsContact OE1-CD1 3.31Å; Y347-P349 HydrophobicContact CE1-CB 3.96Å; Y347-I373 CarbonylContact C-O 3.59Å; Y347-I373 WeakPolarHBondContact CA-O 3.31Å; Y347-I373 HydrophobicContact CD2-CB 4.45Å; Y347-I373 HydrophobicContact CD2-CG2 4.18Å; Y347-I373 WeakPolarHBondContact CD2-O 3.2Å; Y347-F383 AromaticContact CE2-CD1 3.79Å; Y347-F383 HydrophobicContact CE2-CD1 3.79Å; Y347-F383 HydrophobicContact CE2-CE1 4.03Å; Y347-F383 AromaticContact CZ-CE1 3.94Å; Y347-P448 WeakPolarHBondContact O-CG 3.47Å
348	H	95.1	Very high	90.6	Very high	14 Å²	14	61 Å²	61	7%	0.065	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	103.3	178.5	-62.4	-119.9	0	0	0	110.2	W346 S350 L351 I373 R374 I446 S447	W346-H348 PolarHBondContact O-CD2 3.41Å; H348-S350 PolarHBondContact O-N 2.84Å; H348-L351 HydrophobicContact CB-CB 3.52Å; H348-L351 HydrophobicContact CB-CD2 3.96Å; H348-L351 HydrophobicContact CB-CG 4.37Å; H348-I373 PolarHBondContact N-O 2.77Å; H348-R374 HydrophobicContact CB-CB 4.19Å; H348-R374 VanDerWaalsContact O-CA 3.28Å; H348-R374 WeakPolarHBondContact O-CA 3.21Å; H348-R374 VanDerWaalsContact O-CB 3.32Å; H348-R374 WeakPolarHBondContact O-CB 3.36Å; H348-I446 PolarHBondContact NE2-O 2.8Å; H348-S447 PolarHBondContact CE1-O 2.91Å; H348-S447 PolarHBondContact NE2-O 2.84Å
349	P	90.3	Very high	90.6	Very high	77 Å²	77	57.9 Å²	57.9	50%	0.5	32%	0.316	S	S	.	.	S	Bend	trans	-71.4	-27.2	-172.4	26.5	-34.7	0	0	0	114	Y347	Y347-P349 HydrophobicContact CE1-CB 3.96Å
350	S	89.1	Confident	90.4	Very high	110 Å²	110	57.2 Å²	57.2	77%	0.769	31%	0.309	S	S	*	.	S	Bend	trans	-118	-5.3	-172.5	51.7	0	0	0	0	115.1	H348 S352	H348-S350 PolarHBondContact O-N 2.84Å; S350-S352 PolarHBondContact O-N 2.78Å
351	L	91.3	Very high	90.1	Very high	24 Å²	24	59.1 Å²	59.1	13%	0.126	33%	0.326	C	S	.	.			trans	-64	120.4	-174.4	-179.9	76.3	0	0	0	111.7	H348 E355 I359 L372 R374	H348-L351 HydrophobicContact CB-CB 3.52Å; H348-L351 HydrophobicContact CB-CD2 3.96Å; H348-L351 HydrophobicContact CB-CG 4.37Å; L351-E355 HydrophobicContact CD1-CB 3.46Å; L351-E355 VanDerWaalsContact CD1-CB 3.46Å; L351-E355 HydrophobicContact CG-CB 4.34Å; L351-I359 HydrophobicContact CD1-CD1 3.73Å; L351-I359 HydrophobicContact CD2-CD1 3.93Å; L351-L372 HydrophobicContact CD2-CD1 3.82Å; L351-L372 HydrophobicContact CD2-CD2 3.84Å; L351-R374 HydrophobicContact CB-CB 4.43Å; L351-R374 WeakPolarHBondContact O-CD 3.46Å
352	S	89.2	Confident	89	Confident	44 Å²	44	65.2 Å²	65.2	31%	0.308	36%	0.359	S	S	.	.			trans	-76	167.3	178.1	73.2	0	0	0	0	112.8	S350 S354 E355 T356	S350-S352 PolarHBondContact O-N 2.78Å; S352-S354 VanDerWaalsContact C-N 3.31Å; S352-S354 PolarHBondContact O-N 2.95Å; S352-S354 PolarHBondContact OG-OG 3.12Å; S352-E355 WeakPolarHBondContact CB-OE2 3.1Å; S352-E355 PolarHBondContact N-OE2 3.07Å; S352-E355 PolarHBondContact O-N 2.65Å; S352-E355 VanDerWaalsContact OG-CD 3.26Å; S352-E355 WeakPolarHBondContact OG-CG 3.26Å; S352-E355 PolarHBondContact OG-N 2.88Å; S352-E355 PolarHBondContact OG-OE2 2.83Å; S352-T356 WeakPolarHBondContact O-CB 3.29Å; S352-T356 PolarHBondContact O-N 3.27Å; S352-T356 PolarHBondContact O-OG1 2.75Å
353	K	87.1	Confident	87.7	Confident	129 Å²	129	63.3 Å²	63.3	56%	0.561	35%	0.349	S	S	*	.	H	α-helix	trans	-57.9	-40.8	175.4	-175.7	-174.7	174.4	-172.3	0	112.3	T356 D357	K353-T356 WeakPolarHBondContact O-CB 3.45Å; K353-D357 VanDerWaalsContact O-CG 3.29Å; K353-D357 PolarHBondContact O-N 2.86Å
354	S	87.1	Confident	86.2	Confident	71 Å²	71	66.1 Å²	66.1	50%	0.497	38%	0.376	S	S	.	.	H	α-helix	trans	-76.9	-30.1	-177.5	52.1	0	0	0	0	112.9	S352 K358	S352-S354 VanDerWaalsContact C-N 3.31Å; S352-S354 PolarHBondContact O-N 2.95Å; S352-S354 PolarHBondContact OG-OG 3.12Å; S354-K358 WeakPolarHBondContact O-CG 3.17Å; S354-K358 PolarHBondContact O-N 3.1Å
355	E	90.4	Very high	85.2	Confident	89 Å²	89	65 Å²	65	42%	0.416	37%	0.374	S	S	.	.	H	α-helix	trans	-74	-37	172.2	-66.4	159.3	135.8	0	0	111.7	L351 S352 D357 K358 I359	L351-E355 HydrophobicContact CD1-CB 3.46Å; L351-E355 VanDerWaalsContact CD1-CB 3.46Å; L351-E355 HydrophobicContact CG-CB 4.34Å; S352-E355 WeakPolarHBondContact CB-OE2 3.1Å; S352-E355 PolarHBondContact N-OE2 3.07Å; S352-E355 PolarHBondContact O-N 2.65Å; S352-E355 VanDerWaalsContact OG-CD 3.26Å; S352-E355 WeakPolarHBondContact OG-CG 3.26Å; S352-E355 PolarHBondContact OG-N 2.88Å; S352-E355 PolarHBondContact OG-OE2 2.83Å; E355-D357 VanDerWaalsContact C-N 3.27Å; E355-D357 PolarHBondContact O-N 2.7Å; E355-K358 WeakPolarHBondContact O-CB 3.37Å; E355-K358 PolarHBondContact O-N 3.16Å; E355-I359 WeakPolarHBondContact O-CG1 3.3Å; E355-I359 PolarHBondContact O-N 3.47Å; E355-I359 VanDerWaalsContact O-N 3.08Å
356	T	89.7	Confident	84.6	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-51	-51	168.6	-53.7	0	0	0	0	110.4	S352 K353 K358 I359 F360 R374 V386	S352-T356 WeakPolarHBondContact O-CB 3.29Å; S352-T356 PolarHBondContact O-N 3.27Å; S352-T356 PolarHBondContact O-OG1 2.75Å; K353-T356 WeakPolarHBondContact O-CB 3.45Å; T356-K358 VanDerWaalsContact C-N 3.28Å; T356-K358 PolarHBondContact O-N 3.02Å; T356-I359 PolarHBondContact O-N 3.29Å; T356-I359 VanDerWaalsContact O-N 3.16Å; T356-F360 HydrophobicContact CG2-CD2 4.3Å; T356-F360 HydrophobicContact CG2-CE2 4.25Å; T356-F360 WeakPolarHBondContact O-CD2 3.39Å; T356-F360 PolarHBondContact O-N 2.98Å; T356-R374 VanDerWaalsContact OG1-CD 3.32Å; T356-R374 WeakPolarHBondContact OG1-CD 3.26Å; T356-R374 PolarHBondContact OG1-NE 2.79Å; T356-V386 HydrophobicContact CG2-CB 4.2Å; T356-V386 HydrophobicContact CG2-CG1 3.64Å; T356-V386 HydrophobicContact CG2-CG2 3.83Å
357	D	85.1	Confident	84.2	Confident	58 Å²	58	70.1 Å²	70.1	31%	0.31	40%	0.395	S	S	.	.	H	α-helix	trans	-67.3	-29.6	-175.8	-67.1	-23.4	0	0	0	112.1	K353 E355 S361 K395	K353-D357 VanDerWaalsContact O-CG 3.29Å; K353-D357 PolarHBondContact O-N 2.86Å; E355-D357 VanDerWaalsContact C-N 3.27Å; E355-D357 PolarHBondContact O-N 2.7Å; D357-S361 WeakPolarHBondContact O-CB 3.36Å; D357-S361 PolarHBondContact O-N 2.88Å; D357-S361 PolarHBondContact O-OG 3.24Å; D357-K395 VanDerWaalsContact CG-NZ 3.35Å; D357-K395 WeakPolarHBondContact OD1-CE 3.37Å; D357-K395 IonicContact OD1-NZ 3.63Å; D357-K395 PolarHBondContact OD1-NZ 3.24Å; D357-K395 IonicContact OD2-NZ 2.66Å; D357-K395 PolarHBondContact OD2-NZ 3.37Å
358	K	87.1	Confident	83.7	Confident	123 Å²	123	71.3 Å²	71.3	54%	0.535	40%	0.404	S	S	.	.	H	α-helix	trans	-67.9	-37.9	171.3	-70.4	171.3	-173.9	176.1	0	113.7	S354 E355 T356 F360 S361 N362	S354-K358 WeakPolarHBondContact O-CG 3.17Å; S354-K358 PolarHBondContact O-N 3.1Å; E355-K358 WeakPolarHBondContact O-CB 3.37Å; E355-K358 PolarHBondContact O-N 3.16Å; T356-K358 VanDerWaalsContact C-N 3.28Å; T356-K358 PolarHBondContact O-N 3.02Å; K358-F360 VanDerWaalsContact C-N 3.32Å; K358-F360 PolarHBondContact O-N 3.19Å; K358-S361 WeakPolarHBondContact CA-OG 3.19Å; K358-S361 PolarHBondContact O-N 2.52Å; K358-S361 PolarHBondContact O-OG 2.78Å; K358-N362 VanDerWaalsContact O-CB 3.26Å; K358-N362 WeakPolarHBondContact O-CB 3.39Å; K358-N362 PolarHBondContact O-N 2.9Å; K358-N362 PolarHBondContact O-OD1 2.88Å
359	I	87.7	Confident	83.4	Confident	52 Å²	52	70.6 Å²	70.6	27%	0.267	40%	0.401	S	S	.	.	H	α-helix	trans	-61.2	-44.6	178.8	-70.2	169.7	0	0	0	110	L351 E355 T356 L372 I446	L351-I359 HydrophobicContact CD1-CD1 3.73Å; L351-I359 HydrophobicContact CD2-CD1 3.93Å; E355-I359 WeakPolarHBondContact O-CG1 3.3Å; E355-I359 PolarHBondContact O-N 3.47Å; E355-I359 VanDerWaalsContact O-N 3.08Å; T356-I359 PolarHBondContact O-N 3.29Å; T356-I359 VanDerWaalsContact O-N 3.16Å; I359-L372 HydrophobicContact CD1-CD2 4.16Å; I359-L372 HydrophobicContact CG2-CD2 4.48Å; I359-I446 HydrophobicContact CG2-CD1 4.4Å; I359-I446 HydrophobicContact CG2-CG2 4.34Å
360	F	85.1	Confident	83.6	Confident	10 Å²	10	67 Å²	67	4%	0.044	38%	0.378	C	S	.	.	H	α-helix	trans	-80.3	-24.7	-179.8	-68.8	-77.8	0	0	0	114	T356 K358 I366 L372 V386 Y388 T393 I446	T356-F360 HydrophobicContact CG2-CD2 4.3Å; T356-F360 HydrophobicContact CG2-CE2 4.25Å; T356-F360 WeakPolarHBondContact O-CD2 3.39Å; T356-F360 PolarHBondContact O-N 2.98Å; K358-F360 VanDerWaalsContact C-N 3.32Å; K358-F360 PolarHBondContact O-N 3.19Å; F360-I366 HydrophobicContact CD1-CD1 3.62Å; F360-I366 HydrophobicContact CD1-CG2 4.36Å; F360-I366 HydrophobicContact CE1-CD1 4.15Å; F360-I366 HydrophobicContact CG-CD1 4.4Å; F360-L372 HydrophobicContact CE2-CD2 3.92Å; F360-L372 HydrophobicContact CE2-CG 4.11Å; F360-L372 HydrophobicContact CZ-CD2 4.28Å; F360-L372 HydrophobicContact CZ-CG 4.28Å; F360-V386 HydrophobicContact CD2-CG1 4.05Å; F360-V386 HydrophobicContact CE2-CB 4.18Å; F360-V386 HydrophobicContact CE2-CG1 3.45Å; F360-V386 VanDerWaalsContact CE2-CG1 3.45Å; F360-V386 HydrophobicContact CZ-CG1 4.08Å; F360-Y388 HydrophobicContact CB-CD2 4.43Å; F360-Y388 AromaticContact CD1-CD2 3.76Å; F360-Y388 HydrophobicContact CD1-CD2 3.76Å; F360-Y388 HydrophobicContact CD1-CG 4.28Å; F360-Y388 HydrophobicContact CG-CD2 4.48Å; F360-T393 HydrophobicContact CB-CG2 4.36Å; F360-T393 WeakPolarHBondContact CB-OG1 3.3Å; F360-T393 HydrophobicContact CD2-CG2 3.75Å; F360-T393 HydrophobicContact CE2-CG2 4.23Å; F360-T393 HydrophobicContact CG-CG2 4.02Å; F360-I446 HydrophobicContact CE1-CD1 3.69Å; F360-I446 HydrophobicContact CZ-CD1 3.77Å
361	S	79.8	Confident	83.9	Confident	83 Å²	83	61.8 Å²	61.8	58%	0.58	34%	0.341	S	S	*	.	H	α-helix	trans	-77.4	-34.1	174.8	66.9	0	0	0	0	113.9	D357 K358	D357-S361 WeakPolarHBondContact O-CB 3.36Å; D357-S361 PolarHBondContact O-N 2.88Å; D357-S361 PolarHBondContact O-OG 3.24Å; K358-S361 WeakPolarHBondContact CA-OG 3.19Å; K358-S361 PolarHBondContact O-N 2.52Å; K358-S361 PolarHBondContact O-OG 2.78Å
362	N	68.2	Low	84.2	Confident	129 Å²	129	60.7 Å²	60.7	69%	0.69	34%	0.335	S	S	*	.	S	Bend	trans	-90.3	-5.7	-167.6	-65.8	1.5	0	0	0	114	K358	K358-N362 VanDerWaalsContact O-CB 3.26Å; K358-N362 WeakPolarHBondContact O-CB 3.39Å; K358-N362 PolarHBondContact O-N 2.9Å; K358-N362 PolarHBondContact O-OD1 2.88Å
363	C	65.2	Low	84.6	Confident	42 Å²	42	58.6 Å²	58.6	28%	0.284	32%	0.32	S	S	.	.			trans	-116.6	89.4	-169	-165	0	0	0	0	111.1	T365 I366	C363-T365 PolarHBondContact O-N 2.76Å; C363-T365 PolarHBondContact SG-OG1 3.14Å; C363-T365 VanDerWaalsContact SG-OG1 3.41Å; C363-I366 HydrophobicContact CB-CD1 3.64Å; C363-I366 HydrophobicContact CB-CG1 3.72Å; C363-I366 WeakPolarHBondContact O-CG1 3.36Å; C363-I366 PolarHBondContact O-N 2.84Å
364	S	63.3	Low	84.9	Confident	128 Å²	128	53.1 Å²	53.1	90%	0.895	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-4.9	-178.7	54.7	0	0	0	0	115.1
365	T	73.5	Confident	85.2	Confident	108 Å²	108	54.1 Å²	54.1	66%	0.663	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	0.7	179.3	54.4	0	0	0	0	113.6	C363	C363-T365 PolarHBondContact O-N 2.76Å; C363-T365 PolarHBondContact SG-OG1 3.14Å; C363-T365 VanDerWaalsContact SG-OG1 3.41Å
366	I	80	Confident	85.2	Confident	23 Å²	23	50.6 Å²	50.6	12%	0.118	27%	0.274	C	S	.	.			trans	-64.7	138.8	175.1	-68.5	-177.6	0	0	0	110.5	F360 C363 A370 Y388 I446	F360-I366 HydrophobicContact CD1-CD1 3.62Å; F360-I366 HydrophobicContact CD1-CG2 4.36Å; F360-I366 HydrophobicContact CE1-CD1 4.15Å; F360-I366 HydrophobicContact CG-CD1 4.4Å; C363-I366 HydrophobicContact CB-CD1 3.64Å; C363-I366 HydrophobicContact CB-CG1 3.72Å; C363-I366 WeakPolarHBondContact O-CG1 3.36Å; C363-I366 PolarHBondContact O-N 2.84Å; I366-A370 HydrophobicContact CG2-CB 3.64Å; I366-Y388 HydrophobicContact CG2-CD1 3.6Å; I366-Y388 HydrophobicContact CG2-CD2 3.76Å; I366-Y388 HydrophobicContact CG2-CE1 4.02Å; I366-Y388 HydrophobicContact CG2-CE2 4.15Å; I366-Y388 HydrophobicContact CG2-CG 3.42Å; I366-Y388 VanDerWaalsContact CG2-CG 3.42Å; I366-I446 HydrophobicContact CD1-CD1 4.36Å
367	K	86.4	Confident	84.9	Confident	124 Å²	124	55.8 Å²	55.8	54%	0.539	31%	0.311	S	S	.	.			trans	-113.6	157.7	178.1	-64.4	175.9	-179.6	177.9	0	110.1	A370 Y444	K367-A370 WeakPolarHBondContact O-CB 3.19Å; K367-A370 PolarHBondContact O-N 3.24Å; K367-A370 VanDerWaalsContact O-N 3.08Å; K367-Y444 HydrophobicContact CB-CD2 4.11Å; K367-Y444 HydrophobicContact CB-CE2 3.67Å; K367-Y444 HydrophobicContact CD-CE1 4.33Å; K367-Y444 HydrophobicContact CD-CE2 4.04Å; K367-Y444 HydrophobicContact CG-CE2 4.49Å
368	D	87.5	Confident	84.7	Confident	59 Å²	59	60.5 Å²	60.5	32%	0.316	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	139.5	168.7	-71.7	-2.2	0	0	0	110.7	A370 Y388 Y389 Q390	D368-A370 VanDerWaalsContact C-N 3.33Å; D368-Y388 WeakPolarHBondContact CA-O 3.41Å; D368-Y389 HydrophobicContact CB-CD2 4.12Å; D368-Y389 WeakPolarHBondContact OD1-CA 3.38Å; D368-Q390 PolarHBondContact OD1-N 3.35Å; D368-Q390 PolarHBondContact OD2-N 3.45Å
369	G	88.1	Confident	84.5	Confident	0 Å²	0	57 Å²	57	0%	0	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	0.6	-172.6	0	0	0	0	0	114.3	Y388 R441 H443 Y444	G369-Y388 PolarHBondContact N-O 3.28Å; G369-R441 WeakPolarHBondContact CA-O 3.35Å; G369-H443 PolarHBondContact O-N 2.82Å; G369-Y444 PolarHBondContact O-N 2.95Å; G369-Y444 VanDerWaalsContact O-N 3.1Å
370	A	94.7	Very high	84.1	Confident	2 Å²	2	61 Å²	61	2%	0.017	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	137.9	170.3	0	0	0	0	0	111.6	I366 K367 D368 Y388 Y444 I446	I366-A370 HydrophobicContact CG2-CB 3.64Å; K367-A370 WeakPolarHBondContact O-CB 3.19Å; K367-A370 PolarHBondContact O-N 3.24Å; K367-A370 VanDerWaalsContact O-N 3.08Å; D368-A370 VanDerWaalsContact C-N 3.33Å; A370-Y388 PolarHBondContact O-N 2.65Å; A370-Y444 CarbonylContact C-O 3.56Å; A370-Y444 VanDerWaalsContact CA-O 3.28Å; A370-Y444 WeakPolarHBondContact CA-O 3.2Å; A370-Y444 HydrophobicContact CB-CD2 4.29Å; A370-I446 HydrophobicContact CB-CD1 4.5Å
371	F	96.2	Very high	84.1	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	162.4	-171	78.7	-76.2	0	0	0	114.3	W346 L385 V386 L387 V428 L442 Y444 A445 I446 I455	W346-F371 HydrophobicContact CB-CD2 4.44Å; W346-F371 HydrophobicContact CB-CE2 3.67Å; W346-F371 HydrophobicContact CB-CZ 3.99Å; W346-F371 AromaticContact CD1-CZ 3.96Å; W346-F371 HydrophobicContact CD2-CE2 4.37Å; W346-F371 AromaticContact CG-CE2 3.77Å; W346-F371 HydrophobicContact CG-CE2 3.77Å; W346-F371 HydrophobicContact CG-CZ 4.01Å; F371-L385 HydrophobicContact CB-CD1 4.06Å; F371-L385 HydrophobicContact CD2-CD1 3.69Å; F371-L385 HydrophobicContact CG-CD1 4.24Å; F371-V386 CarbonylContact C-O 3.45Å; F371-V386 WeakPolarHBondContact CA-O 3.45Å; F371-V386 VanDerWaalsContact CB-O 3.29Å; F371-V386 WeakPolarHBondContact CB-O 3.35Å; F371-L387 HydrophobicContact CB-CD1 4.27Å; F371-V428 HydrophobicContact CE2-CG1 3.97Å; F371-V428 HydrophobicContact CE2-CG2 4Å; F371-V428 HydrophobicContact CZ-CG1 3.63Å; F371-L442 HydrophobicContact CB-CD2 3.97Å; F371-L442 HydrophobicContact CD1-CB 3.79Å; F371-L442 HydrophobicContact CD1-CD1 4.46Å; F371-L442 HydrophobicContact CD1-CD2 4.09Å; F371-L442 HydrophobicContact CD1-CG 4.31Å; F371-L442 HydrophobicContact CD2-CD1 4.04Å; F371-L442 HydrophobicContact CD2-CD2 4.31Å; F371-L442 HydrophobicContact CE1-CB 3.75Å; F371-L442 HydrophobicContact CE1-CD1 4.42Å; F371-L442 HydrophobicContact CE2-CD1 3.98Å; F371-L442 HydrophobicContact CG-CB 4.34Å; F371-L442 HydrophobicContact CG-CD1 4.29Å; F371-L442 HydrophobicContact CG-CD2 3.84Å; F371-L442 HydrophobicContact CG-CG 4.37Å; F371-L442 HydrophobicContact CZ-CB 4.27Å; F371-L442 HydrophobicContact CZ-CD1 4.19Å; F371-Y444 WeakPolarHBondContact CD1-O 3.49Å; F371-Y444 PolarHBondContact N-O 2.95Å; F371-A445 HydrophobicContact CE1-CB 3.87Å; F371-A445 HydrophobicContact CZ-CB 3.89Å; F371-I446 WeakPolarHBondContact O-CG1 3.42Å; F371-I446 PolarHBondContact O-N 3.5Å; F371-I455 HydrophobicContact CE1-CD1 3.63Å; F371-I455 HydrophobicContact CZ-CD1 3.76Å
372	L	96.7	Very high	84.6	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	159.8	161.2	60.9	83.4	0	0	0	109.6	W346 L351 I359 F360 R374 V386 I446	W346-L372 WeakPolarHBondContact O-CA 3.25Å; L351-L372 HydrophobicContact CD2-CD1 3.82Å; L351-L372 HydrophobicContact CD2-CD2 3.84Å; I359-L372 HydrophobicContact CD1-CD2 4.16Å; I359-L372 HydrophobicContact CG2-CD2 4.48Å; F360-L372 HydrophobicContact CE2-CD2 3.92Å; F360-L372 HydrophobicContact CE2-CG 4.11Å; F360-L372 HydrophobicContact CZ-CD2 4.28Å; F360-L372 HydrophobicContact CZ-CG 4.28Å; L372-R374 HydrophobicContact CD1-CB 4.26Å; L372-R374 HydrophobicContact CD1-CG 4.23Å; L372-V386 HydrophobicContact CD1-CB 3.95Å; L372-V386 HydrophobicContact CD1-CG2 3.83Å; L372-V386 HydrophobicContact CG-CB 4.21Å; L372-V386 PolarHBondContact N-O 3.2Å; L372-V386 PolarHBondContact O-N 2.76Å; L372-I446 HydrophobicContact CB-CB 4.41Å
373	I	97	Very high	85.9	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	141.5	166	-61.4	174.6	0	0	0	107.7	W346 Y347 H348 F383 V384 L385 I398 V428	W346-I373 HydrophobicContact CE3-CB 3.81Å; W346-I373 HydrophobicContact CE3-CD1 3.8Å; W346-I373 HydrophobicContact CE3-CG1 3.99Å; W346-I373 HydrophobicContact CH2-CD1 4.44Å; W346-I373 HydrophobicContact CZ3-CB 4Å; W346-I373 HydrophobicContact CZ3-CD1 3.69Å; W346-I373 HydrophobicContact CZ3-CG1 4.25Å; W346-I373 PolarHBondContact O-N 3.45Å; Y347-I373 CarbonylContact C-O 3.59Å; Y347-I373 WeakPolarHBondContact CA-O 3.31Å; Y347-I373 HydrophobicContact CD2-CB 4.45Å; Y347-I373 HydrophobicContact CD2-CG2 4.18Å; Y347-I373 WeakPolarHBondContact CD2-O 3.2Å; H348-I373 PolarHBondContact N-O 2.77Å; I373-F383 HydrophobicContact CG2-CB 3.89Å; I373-V384 WeakPolarHBondContact CA-O 3.4Å; I373-L385 HydrophobicContact CD1-CD1 4.43Å; I373-L385 HydrophobicContact CG1-CB 4.27Å; I373-L385 HydrophobicContact CG1-CD1 3.84Å; I373-I398 HydrophobicContact CD1-CD1 3.68Å; I373-I398 HydrophobicContact CG1-CD1 4.15Å; I373-I398 HydrophobicContact CG2-CD1 4.01Å; I373-V428 HydrophobicContact CD1-CG2 3.55Å
374	R	95	Very high	87.4	Confident	14 Å²	14	61 Å²	61	5%	0.053	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	163.5	171.9	59.7	159.5	-178.3	75.2	8.4	111.8	H348 L351 T356 L372 F383 V384 V386	H348-R374 HydrophobicContact CB-CB 4.19Å; H348-R374 VanDerWaalsContact O-CA 3.28Å; H348-R374 WeakPolarHBondContact O-CA 3.21Å; H348-R374 VanDerWaalsContact O-CB 3.32Å; H348-R374 WeakPolarHBondContact O-CB 3.36Å; L351-R374 HydrophobicContact CB-CB 4.43Å; L351-R374 WeakPolarHBondContact O-CD 3.46Å; T356-R374 VanDerWaalsContact OG1-CD 3.32Å; T356-R374 WeakPolarHBondContact OG1-CD 3.26Å; T356-R374 PolarHBondContact OG1-NE 2.79Å; L372-R374 HydrophobicContact CD1-CB 4.26Å; L372-R374 HydrophobicContact CD1-CG 4.23Å; R374-F383 CarbonylContact O-C 3.59Å; R374-F383 WeakPolarHBondContact O-CA 3.07Å; R374-V384 HydrophobicContact CG-CB 4.38Å; R374-V384 PolarHBondContact N-O 3.45Å; R374-V384 PolarHBondContact O-N 3.03Å; R374-V386 HydrophobicContact CG-CG2 4.43Å
375	R	93.4	Very high	88.9	Confident	92 Å²	92	54.9 Å²	54.9	35%	0.347	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	147.1	173.8	-147.2	171.1	-168.1	-157.5	0.2	110.8	E380	R375-E380 IonicContact CZ-OE2 2.73Å; R375-E380 PolarHBondContact NE-O 3.4Å; R375-E380 IonicContact NH1-OE2 3.16Å; R375-E380 PolarHBondContact NH1-OE2 3.19Å; R375-E380 VanDerWaalsContact NH2-CB 3.3Å; R375-E380 PolarHBondContact NH2-O 3.37Å; R375-E380 IonicContact NH2-OE2 3.86Å; R375-E380 PolarHBondContact NH2-OE2 3.34Å
376	S	90.3	Very high	90	Very high	15 Å²	15	49.8 Å²	49.8	11%	0.105	24%	0.241	C	C	.	.			trans	-79.2	138.9	176.1	-173.2	0	0	0	0	111	Q378 K382	S376-Q378 PolarHBondContact O-N 2.87Å; S376-Q378 PolarHBondContact OG-N 3.18Å; S376-K382 WeakPolarHBondContact CB-O 3.49Å; S376-K382 PolarHBondContact N-O 2.77Å
377	S	83.3	Confident	90.7	Very high	110 Å²	110	48.7 Å²	48.7	77%	0.769	24%	0.235	S	C	*	.	S	Bend	trans	-79.3	0	172	64.5	0	0	0	0	113.3
378	Q	80.9	Confident	91	Very high	157 Å²	157	44.2 Å²	44.2	73%	0.734	22%	0.215	S	C	*	.	S	Bend	trans	-99.1	-25.8	178.3	-60.5	-177.6	9	0	0	113.1	S376	S376-Q378 PolarHBondContact O-N 2.87Å; S376-Q378 PolarHBondContact OG-N 3.18Å
379	S	82.9	Confident	91.1	Very high	49 Å²	49	44.3 Å²	44.3	34%	0.343	21%	0.211	S	C	.	.			trans	-162.8	136.7	-178.1	176.2	0	0	0	0	110.6	R381 K382	S379-R381 PolarHBondContact O-N 2.74Å; S379-R381 PolarHBondContact OG-N 2.77Å; S379-K382 PolarHBondContact O-N 3.15Å; S379-K382 VanDerWaalsContact O-N 3.14Å
380	E	78.9	Confident	90.9	Very high	136 Å²	136	48.4 Å²	48.4	64%	0.636	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.7	173.8	-82.9	-152	-127	0	0	114.2	R375	R375-E380 IonicContact CZ-OE2 2.73Å; R375-E380 PolarHBondContact NE-O 3.4Å; R375-E380 IonicContact NH1-OE2 3.16Å; R375-E380 PolarHBondContact NH1-OE2 3.19Å; R375-E380 VanDerWaalsContact NH2-CB 3.3Å; R375-E380 PolarHBondContact NH2-O 3.37Å; R375-E380 IonicContact NH2-OE2 3.86Å; R375-E380 PolarHBondContact NH2-OE2 3.34Å
381	R	85.1	Confident	90.4	Very high	166 Å²	166	56 Å²	56	63%	0.626	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	16	176.7	-71	179.5	169.2	-103.3	-2	113.6	S379 V400 E411	S379-R381 PolarHBondContact O-N 2.74Å; S379-R381 PolarHBondContact OG-N 2.77Å; R381-V400 WeakPolarHBondContact O-CG2 3.41Å; R381-E411 IonicContact CZ-OE1 3.57Å; R381-E411 IonicContact NH1-OE1 3.84Å; R381-E411 PolarHBondContact NH1-OE1 3.32Å; R381-E411 IonicContact NH2-OE1 3.73Å
382	K	89.5	Confident	90	Very high	58 Å²	58	62.1 Å²	62.1	25%	0.252	29%	0.294	S	S	.	.			trans	-127.4	148.3	173.7	-65.4	-162.5	178.5	-166.8	0	111.4	S376 S379 Q397 E399	S376-K382 WeakPolarHBondContact CB-O 3.49Å; S376-K382 PolarHBondContact N-O 2.77Å; S379-K382 PolarHBondContact O-N 3.15Å; S379-K382 VanDerWaalsContact O-N 3.14Å; K382-Q397 HydrophobicContact CD-CG 4.09Å; K382-Q397 VanDerWaalsContact NZ-NE2 3.17Å; K382-E399 IonicContact NZ-OE1 3.59Å; K382-E399 PolarHBondContact NZ-OE1 3.23Å
383	F	95.8	Very high	89.7	Confident	25 Å²	25	64.1 Å²	64.1	11%	0.11	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	165	175.5	-50.8	-98.5	0	0	0	109.6	Y347 I373 R374 I398 V400 Y413 L424	Y347-F383 AromaticContact CE2-CD1 3.79Å; Y347-F383 HydrophobicContact CE2-CD1 3.79Å; Y347-F383 HydrophobicContact CE2-CE1 4.03Å; Y347-F383 AromaticContact CZ-CE1 3.94Å; I373-F383 HydrophobicContact CG2-CB 3.89Å; R374-F383 CarbonylContact O-C 3.59Å; R374-F383 WeakPolarHBondContact O-CA 3.07Å; F383-I398 HydrophobicContact CB-CB 4.09Å; F383-I398 HydrophobicContact CB-CD1 4.37Å; F383-I398 PolarHBondContact N-O 3.09Å; F383-I398 VanDerWaalsContact N-O 3.09Å; F383-I398 PolarHBondContact O-N 2.95Å; F383-V400 HydrophobicContact CD2-CG2 4.23Å; F383-V400 HydrophobicContact CE2-CG2 3.91Å; F383-Y413 HydrophobicContact CD2-CE1 4.47Å; F383-Y413 HydrophobicContact CE2-CD1 4.37Å; F383-Y413 AromaticContact CE2-CE1 3.86Å; F383-Y413 HydrophobicContact CE2-CE1 3.86Å; F383-L424 HydrophobicContact CD1-CD1 3.97Å; F383-L424 HydrophobicContact CD2-CD1 4.33Å; F383-L424 HydrophobicContact CD2-CD2 4.22Å; F383-L424 HydrophobicContact CE1-CD1 3.89Å; F383-L424 HydrophobicContact CE2-CD1 4.28Å; F383-L424 HydrophobicContact CG-CD1 4.19Å; F383-L424 HydrophobicContact CG-CD2 4.39Å; F383-L424 HydrophobicContact CZ-CD1 4.06Å
384	V	95.9	Very high	89.5	Confident	15 Å²	15	66.2 Å²	66.2	9%	0.091	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	114.6	176.9	-175.3	0	0	0	0	108.3	I373 R374 V386 K395 Y396	I373-V384 WeakPolarHBondContact CA-O 3.4Å; R374-V384 HydrophobicContact CG-CB 4.38Å; R374-V384 PolarHBondContact N-O 3.45Å; R374-V384 PolarHBondContact O-N 3.03Å; V384-V386 HydrophobicContact CG1-CG2 4.03Å; V384-K395 HydrophobicContact CG1-CB 4.21Å; V384-Y396 CarbonylContact C-O 3.59Å; V384-Y396 WeakPolarHBondContact CA-O 3.32Å
385	L	96.5	Very high	89.4	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	127.8	163.3	170.4	65.8	0	0	0	108	F371 I373 K395 Y396 I398 I415 L442	F371-L385 HydrophobicContact CB-CD1 4.06Å; F371-L385 HydrophobicContact CD2-CD1 3.69Å; F371-L385 HydrophobicContact CG-CD1 4.24Å; I373-L385 HydrophobicContact CD1-CD1 4.43Å; I373-L385 HydrophobicContact CG1-CB 4.27Å; I373-L385 HydrophobicContact CG1-CD1 3.84Å; L385-K395 CarbonylContact O-C 3.59Å; L385-K395 WeakPolarHBondContact O-CA 3.46Å; L385-Y396 HydrophobicContact CD2-CD2 4.45Å; L385-Y396 PolarHBondContact N-O 2.76Å; L385-Y396 PolarHBondContact O-N 3.37Å; L385-I398 HydrophobicContact CB-CD1 4.05Å; L385-I398 HydrophobicContact CB-CG1 4.3Å; L385-I415 HydrophobicContact CB-CD1 4.46Å; L385-I415 HydrophobicContact CD2-CD1 3.67Å; L385-L442 HydrophobicContact CD1-CD1 4.33Å; L385-L442 HydrophobicContact CD1-CD2 4.16Å; L385-L442 HydrophobicContact CD2-CD2 4.32Å
386	V	96	Very high	89.5	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	119.1	178.7	-171.9	0	0	0	0	107.5	T356 F360 F371 L372 R374 V384 T393 L394 K395	T356-V386 HydrophobicContact CG2-CB 4.2Å; T356-V386 HydrophobicContact CG2-CG1 3.64Å; T356-V386 HydrophobicContact CG2-CG2 3.83Å; F360-V386 HydrophobicContact CD2-CG1 4.05Å; F360-V386 HydrophobicContact CE2-CB 4.18Å; F360-V386 HydrophobicContact CE2-CG1 3.45Å; F360-V386 VanDerWaalsContact CE2-CG1 3.45Å; F360-V386 HydrophobicContact CZ-CG1 4.08Å; F371-V386 CarbonylContact C-O 3.45Å; F371-V386 WeakPolarHBondContact CA-O 3.45Å; F371-V386 VanDerWaalsContact CB-O 3.29Å; F371-V386 WeakPolarHBondContact CB-O 3.35Å; L372-V386 HydrophobicContact CD1-CB 3.95Å; L372-V386 HydrophobicContact CD1-CG2 3.83Å; L372-V386 HydrophobicContact CG-CB 4.21Å; L372-V386 PolarHBondContact N-O 3.2Å; L372-V386 PolarHBondContact O-N 2.76Å; R374-V386 HydrophobicContact CG-CG2 4.43Å; V384-V386 HydrophobicContact CG1-CG2 4.03Å; V386-T393 HydrophobicContact CG1-CG2 3.31Å; V386-L394 WeakPolarHBondContact CA-O 3.4Å; V386-K395 HydrophobicContact CG1-CG 4.29Å
387	L	94.5	Very high	89.7	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	129.6	-169.8	175.5	63.9	0	0	0	110.4	F371 T393 L394 Y396 I438 V440 L442	F371-L387 HydrophobicContact CB-CD1 4.27Å; L387-T393 CarbonylContact O-C 3.5Å; L387-L394 HydrophobicContact CB-CB 4.44Å; L387-L394 PolarHBondContact N-O 2.72Å; L387-L394 PolarHBondContact O-N 3.44Å; L387-Y396 HydrophobicContact CB-CE2 4.49Å; L387-Y396 HydrophobicContact CD2-CE2 4.12Å; L387-I438 HydrophobicContact CD2-CB 4.2Å; L387-I438 HydrophobicContact CD2-CD1 4.02Å; L387-V440 HydrophobicContact CD1-CG1 4.1Å; L387-V440 HydrophobicContact CD2-CG1 4.12Å; L387-V440 HydrophobicContact CG-CG1 4.4Å; L387-L442 HydrophobicContact CD1-CD2 3.88Å
388	Y	93.3	Very high	90.4	Very high	31 Å²	31	64.1 Å²	64.1	12%	0.122	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	128	169.8	-166.5	-89.1	0	0	0	110.7	F360 I366 D368 G369 A370 H391 Q392	F360-Y388 HydrophobicContact CB-CD2 4.43Å; F360-Y388 AromaticContact CD1-CD2 3.76Å; F360-Y388 HydrophobicContact CD1-CD2 3.76Å; F360-Y388 HydrophobicContact CD1-CG 4.28Å; F360-Y388 HydrophobicContact CG-CD2 4.48Å; I366-Y388 HydrophobicContact CG2-CD1 3.6Å; I366-Y388 HydrophobicContact CG2-CD2 3.76Å; I366-Y388 HydrophobicContact CG2-CE1 4.02Å; I366-Y388 HydrophobicContact CG2-CE2 4.15Å; I366-Y388 HydrophobicContact CG2-CG 3.42Å; I366-Y388 VanDerWaalsContact CG2-CG 3.42Å; D368-Y388 WeakPolarHBondContact CA-O 3.41Å; G369-Y388 PolarHBondContact N-O 3.28Å; A370-Y388 PolarHBondContact O-N 2.65Å; Y388-H391 PolarHBondContact OH-ND1 2.86Å; Y388-H391 VanDerWaalsContact OH-ND1 3.14Å; Y388-Q392 WeakPolarHBondContact CA-O 3.42Å
389	Y	89.4	Confident	91	Very high	60 Å²	60	59.4 Å²	59.4	24%	0.235	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	132	176.8	-179.1	-108.3	0	0	0	110.4	D368 H391 Q392 L394 P439 V440	D368-Y389 HydrophobicContact CB-CD2 4.12Å; D368-Y389 WeakPolarHBondContact OD1-CA 3.38Å; Y389-H391 VanDerWaalsContact C-N 3.29Å; Y389-H391 PolarHBondContact O-N 3.35Å; Y389-Q392 PolarHBondContact N-O 3.36Å; Y389-Q392 PolarHBondContact O-N 3.12Å; Y389-L394 HydrophobicContact CD1-CD1 4.27Å; Y389-P439 HydrophobicContact CD1-CB 3.9Å; Y389-P439 HydrophobicContact CD1-CG 3.67Å; Y389-P439 HydrophobicContact CD2-CG 4.45Å; Y389-P439 HydrophobicContact CE1-CB 3.68Å; Y389-P439 HydrophobicContact CE1-CG 4.01Å; Y389-P439 HydrophobicContact CE2-CB 4.38Å; Y389-P439 HydrophobicContact CG-CB 4.33Å; Y389-P439 HydrophobicContact CG-CG 3.91Å; Y389-V440 HydrophobicContact CD2-CB 3.81Å; Y389-V440 HydrophobicContact CD2-CG1 3.59Å; Y389-V440 HydrophobicContact CE2-CB 4.01Å; Y389-V440 HydrophobicContact CE2-CG1 4.31Å; Y389-V440 HydrophobicContact CG-CG1 4.23Å
390	Q	84.5	Confident	91.5	Very high	87 Å²	87	58.5 Å²	58.5	41%	0.407	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	46.5	177	-66.9	-175.1	-21.8	0	0	113.7	D368 Q392	D368-Q390 PolarHBondContact OD1-N 3.35Å; D368-Q390 PolarHBondContact OD2-N 3.45Å; Q390-Q392 PolarHBondContact O-N 2.97Å
391	H	84	Confident	92.1	Very high	161 Å²	161	54.7 Å²	54.7	75%	0.745	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	15.3	-176.4	-52.1	-57	0	0	0	115.9	Y388 Y389	Y388-H391 PolarHBondContact OH-ND1 2.86Å; Y388-H391 VanDerWaalsContact OH-ND1 3.14Å; Y389-H391 VanDerWaalsContact C-N 3.29Å; Y389-H391 PolarHBondContact O-N 3.35Å
392	Q	86.9	Confident	92.3	Very high	129 Å²	129	52.5 Å²	52.5	60%	0.603	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.8	152	176.8	-60	-174.5	29.2	0	0	111.4	Y388 Y389 Q390	Y388-Q392 WeakPolarHBondContact CA-O 3.42Å; Y389-Q392 PolarHBondContact N-O 3.36Å; Y389-Q392 PolarHBondContact O-N 3.12Å; Q390-Q392 PolarHBondContact O-N 2.97Å
393	T	90.4	Very high	92.2	Very high	41 Å²	41	50 Å²	50	25%	0.252	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	92.9	177.4	-54.5	0	0	0	0	109.8	F360 V386 L387	F360-T393 HydrophobicContact CB-CG2 4.36Å; F360-T393 WeakPolarHBondContact CB-OG1 3.3Å; F360-T393 HydrophobicContact CD2-CG2 3.75Å; F360-T393 HydrophobicContact CE2-CG2 4.23Å; F360-T393 HydrophobicContact CG-CG2 4.02Å; V386-T393 HydrophobicContact CG1-CG2 3.31Å; L387-T393 CarbonylContact O-C 3.5Å
394	L	92.4	Very high	91.4	Very high	45 Å²	45	52.3 Å²	52.3	24%	0.236	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	147.3	177.8	-54.1	179.6	0	0	0	110.4	V386 L387 Y389 Y396 P439	V386-L394 WeakPolarHBondContact CA-O 3.4Å; L387-L394 HydrophobicContact CB-CB 4.44Å; L387-L394 PolarHBondContact N-O 2.72Å; L387-L394 PolarHBondContact O-N 3.44Å; Y389-L394 HydrophobicContact CD1-CD1 4.27Å; L394-Y396 HydrophobicContact CB-CE2 3.74Å; L394-Y396 HydrophobicContact CD1-CE2 4.42Å; L394-P439 HydrophobicContact CD1-CG 3.59Å
395	K	94	Very high	90.4	Very high	87 Å²	87	55.3 Å²	55.3	38%	0.378	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	104.4	-169.3	-68.9	166.2	-169.6	168.7	0	109.7	D357 V384 L385 V386	D357-K395 VanDerWaalsContact CG-NZ 3.35Å; D357-K395 WeakPolarHBondContact OD1-CE 3.37Å; D357-K395 IonicContact OD1-NZ 3.63Å; D357-K395 PolarHBondContact OD1-NZ 3.24Å; D357-K395 IonicContact OD2-NZ 2.66Å; D357-K395 PolarHBondContact OD2-NZ 3.37Å; V384-K395 HydrophobicContact CG1-CB 4.21Å; L385-K395 CarbonylContact O-C 3.59Å; L385-K395 WeakPolarHBondContact O-CA 3.46Å; V386-K395 HydrophobicContact CG1-CG 4.29Å
396	Y	95	Very high	89.5	Confident	44 Å²	44	55.6 Å²	55.6	17%	0.173	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	136.5	-177.8	-63.2	-88.3	0	0	0	110.3	V384 L385 L387 L394 I415 I438 P439	V384-Y396 CarbonylContact C-O 3.59Å; V384-Y396 WeakPolarHBondContact CA-O 3.32Å; L385-Y396 HydrophobicContact CD2-CD2 4.45Å; L385-Y396 PolarHBondContact N-O 2.76Å; L385-Y396 PolarHBondContact O-N 3.37Å; L387-Y396 HydrophobicContact CB-CE2 4.49Å; L387-Y396 HydrophobicContact CD2-CE2 4.12Å; L394-Y396 HydrophobicContact CB-CE2 3.74Å; L394-Y396 HydrophobicContact CD1-CE2 4.42Å; Y396-I415 HydrophobicContact CD1-CG2 4.12Å; Y396-I415 HydrophobicContact CG-CG2 4.44Å; Y396-I438 HydrophobicContact CD1-CG2 4.01Å; Y396-I438 HydrophobicContact CD2-CG2 4Å; Y396-I438 HydrophobicContact CE1-CG2 3.78Å; Y396-I438 HydrophobicContact CE2-CB 4.36Å; Y396-I438 HydrophobicContact CE2-CG2 3.78Å; Y396-I438 HydrophobicContact CG-CG2 4.12Å; Y396-P439 WeakPolarHBondContact OH-CD 3.27Å
397	Q	94.7	Very high	88.3	Confident	56 Å²	56	62.9 Å²	62.9	26%	0.262	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	122.6	175	-177.1	160	-90.6	0	0	109.2	K382 E399	K382-Q397 HydrophobicContact CD-CG 4.09Å; K382-Q397 VanDerWaalsContact NZ-NE2 3.17Å; Q397-E399 HydrophobicContact CG-CG 3.97Å; Q397-E399 PolarHBondContact NE2-OE1 3.32Å
398	I	96.7	Very high	87.2	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	122.8	165.9	-60.2	167.8	0	0	0	107.1	I373 F383 L385 Y413 F414 I415 L424 L427	I373-I398 HydrophobicContact CD1-CD1 3.68Å; I373-I398 HydrophobicContact CG1-CD1 4.15Å; I373-I398 HydrophobicContact CG2-CD1 4.01Å; F383-I398 HydrophobicContact CB-CB 4.09Å; F383-I398 HydrophobicContact CB-CD1 4.37Å; F383-I398 PolarHBondContact N-O 3.09Å; F383-I398 VanDerWaalsContact N-O 3.09Å; F383-I398 PolarHBondContact O-N 2.95Å; L385-I398 HydrophobicContact CB-CD1 4.05Å; L385-I398 HydrophobicContact CB-CG1 4.3Å; I398-Y413 HydrophobicContact CG2-CD1 4.37Å; I398-F414 CarbonylContact C-O 3.59Å; I398-F414 VanDerWaalsContact CA-O 3.3Å; I398-F414 WeakPolarHBondContact CA-O 3.3Å; I398-I415 HydrophobicContact CG1-CD1 4.14Å; I398-I415 HydrophobicContact CG1-CG1 3.81Å; I398-L424 HydrophobicContact CD1-CD2 4.09Å; I398-L424 HydrophobicContact CG2-CD2 3.9Å; I398-L427 HydrophobicContact CD1-CD1 4.3Å; I398-L427 HydrophobicContact CD1-CD2 4Å; I398-L427 HydrophobicContact CG1-CD1 4.25Å; I398-L427 HydrophobicContact CG2-CD1 3.81Å
399	E	94.4	Very high	86.6	Confident	58 Å²	58	67.3 Å²	67.3	27%	0.271	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	157	176.5	-57.5	-154	153	0	0	111.1	K382 Q397 Y413 F414	K382-E399 IonicContact NZ-OE1 3.59Å; K382-E399 PolarHBondContact NZ-OE1 3.23Å; Q397-E399 HydrophobicContact CG-CG 3.97Å; Q397-E399 PolarHBondContact NE2-OE1 3.32Å; E399-Y413 WeakPolarHBondContact O-CA 3.19Å; E399-F414 HydrophobicContact CB-CD1 4.34Å; E399-F414 HydrophobicContact CB-CE1 3.72Å; E399-F414 HydrophobicContact CB-CE2 4.04Å; E399-F414 HydrophobicContact CB-CZ 3.56Å; E399-F414 HydrophobicContact CG-CZ 4.34Å; E399-F414 PolarHBondContact N-O 3.43Å; E399-F414 PolarHBondContact O-N 2.9Å; E399-F414 VanDerWaalsContact O-N 3.14Å
400	V	93.3	Very high	86.3	Confident	30 Å²	30	72.3 Å²	72.3	18%	0.182	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.9	179.4	-173.6	0	0	0	0	108	R381 F383 E411 A412 Y413	R381-V400 WeakPolarHBondContact O-CG2 3.41Å; F383-V400 HydrophobicContact CD2-CG2 4.23Å; F383-V400 HydrophobicContact CE2-CG2 3.91Å; V400-E411 HydrophobicContact CG1-CB 3.78Å; V400-E411 HydrophobicContact CG1-CG 4.13Å; V400-A412 WeakPolarHBondContact CA-O 3.43Å; V400-Y413 HydrophobicContact CG1-CE1 4.4Å; V400-Y413 HydrophobicContact CG2-CD1 3.69Å; V400-Y413 HydrophobicContact CG2-CE1 3.66Å
401	V	92.1	Very high	86.7	Confident	56 Å²	56	71.1 Å²	71.1	34%	0.339	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	156.5	176.5	-78.6	0	0	0	0	110.8	E411 A412 F414 L420	V401-E411 CarbonylContact O-C 3.58Å; V401-E411 VanDerWaalsContact O-CA 3.27Å; V401-E411 WeakPolarHBondContact O-CA 3.28Å; V401-A412 PolarHBondContact N-O 2.82Å; V401-A412 PolarHBondContact O-N 2.73Å; V401-F414 HydrophobicContact CB-CE1 4.32Å; V401-F414 HydrophobicContact CG1-CE1 3.7Å; V401-F414 HydrophobicContact CG1-CZ 4.31Å; V401-F414 HydrophobicContact CG2-CD1 4.06Å; V401-F414 HydrophobicContact CG2-CE1 3.78Å; V401-L420 HydrophobicContact CG2-CD2 3.66Å
402	D	88.4	Confident	87.2	Confident	120 Å²	120	63.4 Å²	63.4	64%	0.642	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.9	134.2	167.4	-165	-44.8	0	0	0	109.7	S404 K410	D402-S404 WeakPolarHBondContact OD1-CB 3.44Å; D402-S404 PolarHBondContact OD1-N 2.98Å; D402-S404 PolarHBondContact OD1-OG 3.46Å; D402-K410 WeakPolarHBondContact CA-O 3.24Å
403	F	88.3	Confident	87.6	Confident	4 Å²	4	59.2 Å²	59.2	2%	0.018	30%	0.298	C	S	.	.			trans	-136	23.6	-178.4	-155.8	-114.5	0	0	0	111.7	W306 M314 F405 H406 T409 K410 A412 L420 L422	W306-F403 HydrophobicContact CB-CZ 4.12Å; W306-F403 AromaticContact CD1-CZ 3.77Å; W306-F403 HydrophobicContact CD2-CE1 4.29Å; W306-F403 AromaticContact CD2-CZ 3.82Å; W306-F403 HydrophobicContact CD2-CZ 3.82Å; W306-F403 HydrophobicContact CE3-CZ 4.46Å; W306-F403 HydrophobicContact CG-CE2 4.44Å; W306-F403 AromaticContact CG-CZ 3.62Å; W306-F403 HydrophobicContact CG-CZ 3.62Å; M314-F403 HydrophobicContact SD-CE2 4.45Å; F403-F405 HydrophobicContact CD2-CD1 4.42Å; F403-F405 AromaticContact CD2-CE1 3.57Å; F403-F405 HydrophobicContact CD2-CE1 3.57Å; F403-F405 AromaticContact CD2-CZ 3.98Å; F403-F405 HydrophobicContact CD2-CZ 3.98Å; F403-F405 HydrophobicContact CE1-CE1 4.46Å; F403-F405 HydrophobicContact CE1-CZ 4.04Å; F403-F405 AromaticContact CE2-CE1 3.39Å; F403-F405 HydrophobicContact CE2-CE1 3.39Å; F403-F405 HydrophobicContact CE2-CE2 4.49Å; F403-F405 AromaticContact CE2-CZ 3.35Å; F403-F405 HydrophobicContact CE2-CZ 3.35Å; F403-F405 HydrophobicContact CG-CE1 4.18Å; F403-F405 AromaticContact CZ-CE1 3.88Å; F403-F405 HydrophobicContact CZ-CE1 3.88Å; F403-F405 HydrophobicContact CZ-CE2 4.18Å; F403-F405 AromaticContact CZ-CZ 3.38Å; F403-F405 HydrophobicContact CZ-CZ 3.38Å; F403-F405 PolarHBondContact O-N 3.14Å; F403-H406 HydrophobicContact CD1-CB 3.5Å; F403-H406 VanDerWaalsContact CD1-CB 3.5Å; F403-H406 HydrophobicContact CE1-CB 3.59Å; F403-H406 AromaticContact CE1-CG 3.97Å; F403-H406 PolarHBondContact O-N 2.78Å; F403-T409 HydrophobicContact CD1-CG2 3.86Å; F403-K410 PolarHBondContact N-O 3.13Å; F403-A412 HydrophobicContact CB-CB 3.59Å; F403-A412 HydrophobicContact CD1-CB 3.9Å; F403-A412 HydrophobicContact CD2-CB 3.58Å; F403-A412 HydrophobicContact CE1-CB 4.45Å; F403-A412 HydrophobicContact CE2-CB 4.19Å; F403-A412 HydrophobicContact CG-CB 3.42Å; F403-A412 VanDerWaalsContact CG-CB 3.42Å; F403-L420 HydrophobicContact CD2-CD1 4.27Å; F403-L420 HydrophobicContact CE2-CB 4.14Å; F403-L420 HydrophobicContact CE2-CD1 3.79Å; F403-L422 HydrophobicContact CD1-CD2 4.12Å; F403-L422 HydrophobicContact CE1-CD2 3.71Å
404	S	79.3	Confident	87.8	Confident	75 Å²	75	57.9 Å²	57.9	52%	0.524	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-0.2	-170.4	53.8	0	0	0	0	117	D402 H406	D402-S404 WeakPolarHBondContact OD1-CB 3.44Å; D402-S404 PolarHBondContact OD1-N 2.98Å; D402-S404 PolarHBondContact OD1-OG 3.46Å; S404-H406 VanDerWaalsContact C-N 3.33Å
405	F	75.1	Confident	87.9	Confident	78 Å²	78	56 Å²	56	34%	0.342	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-22.5	165.5	75.9	-97.6	0	0	0	112.5	M314 F316 F403 M407	M314-F405 HydrophobicContact CE-CE1 4.09Å; M314-F405 HydrophobicContact CE-CZ 4.02Å; M314-F405 HydrophobicContact SD-CZ 4.28Å; F316-F405 HydrophobicContact CD1-CE2 4.39Å; F316-F405 HydrophobicContact CE1-CD2 4.4Å; F316-F405 HydrophobicContact CE1-CE1 4.47Å; F316-F405 AromaticContact CE1-CE2 3.48Å; F316-F405 HydrophobicContact CE1-CE2 3.48Å; F316-F405 VanDerWaalsContact CE1-CE2 3.48Å; F316-F405 AromaticContact CE1-CZ 3.51Å; F316-F405 HydrophobicContact CE1-CZ 3.51Å; F316-F405 HydrophobicContact CE2-CE2 4.41Å; F316-F405 AromaticContact CZ-CD2 3.98Å; F316-F405 HydrophobicContact CZ-CD2 3.98Å; F316-F405 HydrophobicContact CZ-CE1 4.34Å; F316-F405 AromaticContact CZ-CE2 3.49Å; F316-F405 HydrophobicContact CZ-CE2 3.49Å; F316-F405 VanDerWaalsContact CZ-CE2 3.49Å; F316-F405 AromaticContact CZ-CZ 3.69Å; F316-F405 HydrophobicContact CZ-CZ 3.69Å; F403-F405 HydrophobicContact CD2-CD1 4.42Å; F403-F405 AromaticContact CD2-CE1 3.57Å; F403-F405 HydrophobicContact CD2-CE1 3.57Å; F403-F405 AromaticContact CD2-CZ 3.98Å; F403-F405 HydrophobicContact CD2-CZ 3.98Å; F403-F405 HydrophobicContact CE1-CE1 4.46Å; F403-F405 HydrophobicContact CE1-CZ 4.04Å; F403-F405 AromaticContact CE2-CE1 3.39Å; F403-F405 HydrophobicContact CE2-CE1 3.39Å; F403-F405 HydrophobicContact CE2-CE2 4.49Å; F403-F405 AromaticContact CE2-CZ 3.35Å; F403-F405 HydrophobicContact CE2-CZ 3.35Å; F403-F405 HydrophobicContact CG-CE1 4.18Å; F403-F405 AromaticContact CZ-CE1 3.88Å; F403-F405 HydrophobicContact CZ-CE1 3.88Å; F403-F405 HydrophobicContact CZ-CE2 4.18Å; F403-F405 AromaticContact CZ-CZ 3.38Å; F403-F405 HydrophobicContact CZ-CZ 3.38Å; F403-F405 PolarHBondContact O-N 3.14Å; F405-M407 WeakPolarHBondContact O-CE 3.41Å
406	H	77.7	Confident	87.7	Confident	6 Å²	6	57.1 Å²	57.1	3%	0.028	29%	0.288	C	S	.	.	S	Bend	trans	-80.5	134.6	176.8	-169.3	-86.8	0	0	0	110.8	W306 A332 Y334 F403 S404 D408 T409	W306-H406 AromaticContact CH2-NE2 3.83Å; W306-H406 AromaticContact CZ2-CD2 3.55Å; W306-H406 AromaticContact CZ2-NE2 3.59Å; A332-H406 PolarHBondContact O-CD2 2.82Å; Y334-H406 PolarHBondContact O-NE2 3.04Å; F403-H406 HydrophobicContact CD1-CB 3.5Å; F403-H406 VanDerWaalsContact CD1-CB 3.5Å; F403-H406 HydrophobicContact CE1-CB 3.59Å; F403-H406 AromaticContact CE1-CG 3.97Å; F403-H406 PolarHBondContact O-N 2.78Å; S404-H406 VanDerWaalsContact C-N 3.33Å; H406-D408 VanDerWaalsContact C-N 3.3Å; H406-D408 IonicContact CE1-OD2 2.72Å; H406-D408 PolarHBondContact CE1-OD2 2.91Å; H406-D408 PolarHBondContact ND1-N 3.44Å; H406-D408 PolarHBondContact O-N 3.32Å; H406-T409 HydrophobicContact CB-CG2 4.36Å; H406-T409 VanDerWaalsContact O-O 3.14Å
407	M	69.6	Low	87.3	Confident	152 Å²	152	63.6 Å²	63.6	75%	0.749	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-28.4	-171.5	-63	-66.9	99	0	0	114.4	F405	F405-M407 WeakPolarHBondContact O-CE 3.41Å
408	D	72.3	Confident	87	Confident	93 Å²	93	61.3 Å²	61.3	50%	0.497	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-16.3	-173.3	-58.8	-50.6	0	0	0	115.6	K335 H406	K335-D408 WeakPolarHBondContact CD-OD2 3.13Å; K335-D408 WeakPolarHBondContact CE-OD2 3.5Å; K335-D408 IonicContact NZ-OD1 3.47Å; K335-D408 PolarHBondContact NZ-OD1 2.6Å; K335-D408 IonicContact NZ-OD2 2.7Å; K335-D408 PolarHBondContact NZ-OD2 3.03Å; H406-D408 VanDerWaalsContact C-N 3.3Å; H406-D408 IonicContact CE1-OD2 2.72Å; H406-D408 PolarHBondContact CE1-OD2 2.91Å; H406-D408 PolarHBondContact ND1-N 3.44Å; H406-D408 PolarHBondContact O-N 3.32Å
409	T	79.4	Confident	86.9	Confident	32 Å²	32	61.3 Å²	61.3	20%	0.196	31%	0.309	C	S	.	.			trans	-142.7	148.6	-176.2	-172.1	0	0	0	0	111.8	F403 H406 E411 L422	F403-T409 HydrophobicContact CD1-CG2 3.86Å; H406-T409 HydrophobicContact CB-CG2 4.36Å; H406-T409 VanDerWaalsContact O-O 3.14Å; T409-E411 WeakPolarHBondContact CG2-O 3.13Å; T409-E411 PolarHBondContact OG1-N 3.45Å; T409-E411 PolarHBondContact OG1-O 2.95Å; T409-L422 HydrophobicContact CG2-CB 4.36Å; T409-L422 HydrophobicContact CG2-CD2 3.7Å
410	K	84.6	Confident	86.9	Confident	164 Å²	164	59.1 Å²	59.1	71%	0.713	30%	0.299	S	S	*	.	S	Bend	trans	-97.7	-9.8	172.7	-60.8	-173	178.9	-173.5	0	112.9	D402 F403	D402-K410 WeakPolarHBondContact CA-O 3.24Å; F403-K410 PolarHBondContact N-O 3.13Å
411	E	92	Very high	87	Confident	62 Å²	62	58.3 Å²	58.3	29%	0.29	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	142.9	-175.4	-64.8	-171.2	160.6	0	0	110.7	R381 V400 V401 T409	R381-E411 IonicContact CZ-OE1 3.57Å; R381-E411 IonicContact NH1-OE1 3.84Å; R381-E411 PolarHBondContact NH1-OE1 3.32Å; R381-E411 IonicContact NH2-OE1 3.73Å; V400-E411 HydrophobicContact CG1-CB 3.78Å; V400-E411 HydrophobicContact CG1-CG 4.13Å; V401-E411 CarbonylContact O-C 3.58Å; V401-E411 VanDerWaalsContact O-CA 3.27Å; V401-E411 WeakPolarHBondContact O-CA 3.28Å; T409-E411 WeakPolarHBondContact CG2-O 3.13Å; T409-E411 PolarHBondContact OG1-N 3.45Å; T409-E411 PolarHBondContact OG1-O 2.95Å
412	A	93.8	Very high	87	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	150.7	173.9	0	0	0	0	0	112	V400 V401 F403 L420 H421	V400-A412 WeakPolarHBondContact CA-O 3.43Å; V401-A412 PolarHBondContact N-O 2.82Å; V401-A412 PolarHBondContact O-N 2.73Å; F403-A412 HydrophobicContact CB-CB 3.59Å; F403-A412 HydrophobicContact CD1-CB 3.9Å; F403-A412 HydrophobicContact CD2-CB 3.58Å; F403-A412 HydrophobicContact CE1-CB 4.45Å; F403-A412 HydrophobicContact CE2-CB 4.19Å; F403-A412 HydrophobicContact CG-CB 3.42Å; F403-A412 VanDerWaalsContact CG-CB 3.42Å; A412-L420 HydrophobicContact CB-CB 4.27Å; A412-L420 HydrophobicContact CB-CD2 4.22Å; A412-H421 CarbonylContact C-O 3.58Å; A412-H421 VanDerWaalsContact CA-O 3.29Å; A412-H421 WeakPolarHBondContact CA-O 3.44Å; A412-H421 WeakPolarHBondContact CB-O 3.42Å
413	Y	95.9	Very high	87.3	Confident	41 Å²	41	52.1 Å²	52.1	16%	0.161	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	137	-170.1	-56.4	-97.6	0	0	0	110.4	F383 I398 E399 V400 H421 S423 L424	F383-Y413 HydrophobicContact CD2-CE1 4.47Å; F383-Y413 HydrophobicContact CE2-CD1 4.37Å; F383-Y413 AromaticContact CE2-CE1 3.86Å; F383-Y413 HydrophobicContact CE2-CE1 3.86Å; I398-Y413 HydrophobicContact CG2-CD1 4.37Å; E399-Y413 WeakPolarHBondContact O-CA 3.19Å; V400-Y413 HydrophobicContact CG1-CE1 4.4Å; V400-Y413 HydrophobicContact CG2-CD1 3.69Å; V400-Y413 HydrophobicContact CG2-CE1 3.66Å; Y413-H421 PolarHBondContact N-O 3.35Å; Y413-H421 PolarHBondContact O-CD2 2.88Å; Y413-H421 PolarHBondContact O-N 2.89Å; Y413-S423 VanDerWaalsContact CD2-CA 3.47Å; Y413-L424 HydrophobicContact CD1-CD2 3.44Å; Y413-L424 VanDerWaalsContact CD1-CD2 3.44Å; Y413-L424 HydrophobicContact CD1-CG 3.76Å; Y413-L424 HydrophobicContact CE1-CD1 4.48Å; Y413-L424 HydrophobicContact CE1-CD2 3.99Å; Y413-L424 HydrophobicContact CE1-CG 3.85Å; Y413-L424 HydrophobicContact CG-CD2 4.03Å; Y413-L424 HydrophobicContact CG-CG 4.32Å
414	F	95.7	Very high	87.7	Confident	13 Å²	13	52 Å²	52	6%	0.057	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	168.2	177	67.3	-81.5	0	0	0	112.7	I398 E399 V401 D416 P419 L420	I398-F414 CarbonylContact C-O 3.59Å; I398-F414 VanDerWaalsContact CA-O 3.3Å; I398-F414 WeakPolarHBondContact CA-O 3.3Å; E399-F414 HydrophobicContact CB-CD1 4.34Å; E399-F414 HydrophobicContact CB-CE1 3.72Å; E399-F414 HydrophobicContact CB-CE2 4.04Å; E399-F414 HydrophobicContact CB-CZ 3.56Å; E399-F414 HydrophobicContact CG-CZ 4.34Å; E399-F414 PolarHBondContact N-O 3.43Å; E399-F414 PolarHBondContact O-N 2.9Å; E399-F414 VanDerWaalsContact O-N 3.14Å; V401-F414 HydrophobicContact CB-CE1 4.32Å; V401-F414 HydrophobicContact CG1-CE1 3.7Å; V401-F414 HydrophobicContact CG1-CZ 4.31Å; V401-F414 HydrophobicContact CG2-CD1 4.06Å; V401-F414 HydrophobicContact CG2-CE1 3.78Å; F414-D416 WeakPolarHBondContact CD2-O 3.25Å; F414-D416 WeakPolarHBondContact CE2-O 3.31Å; F414-P419 WeakPolarHBondContact CB-O 3.49Å; F414-L420 HydrophobicContact CB-CD2 4.05Å; F414-L420 HydrophobicContact CD1-CD2 3.52Å; F414-L420 HydrophobicContact CE1-CD2 4.28Å; F414-L420 HydrophobicContact CG-CD2 4.01Å
415	I	94.5	Very high	88.4	Confident	6 Å²	6	50.2 Å²	50.2	3%	0.031	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131.4	168.3	-61.1	173.9	0	0	0	107.5	L385 Y396 I398 K417 G418 L427 Y431	L385-I415 HydrophobicContact CB-CD1 4.46Å; L385-I415 HydrophobicContact CD2-CD1 3.67Å; Y396-I415 HydrophobicContact CD1-CG2 4.12Å; Y396-I415 HydrophobicContact CG-CG2 4.44Å; I398-I415 HydrophobicContact CG1-CD1 4.14Å; I398-I415 HydrophobicContact CG1-CG1 3.81Å; I415-K417 PolarHBondContact O-N 2.96Å; I415-G418 WeakPolarHBondContact O-CA 3.16Å; I415-G418 PolarHBondContact O-N 3.25Å; I415-L427 HydrophobicContact CD1-CD2 4.42Å; I415-Y431 HydrophobicContact CD1-CD2 4.4Å; I415-Y431 HydrophobicContact CD1-CE2 3.96Å; I415-Y431 HydrophobicContact CG1-CE2 4.41Å
416	D	89.3	Confident	89.4	Confident	109 Å²	109	48.5 Å²	48.5	58%	0.583	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	41.9	-113.6	176.5	-58	-39.9	0	0	0	114.5	R308 F414	R308-D416 PolarHBondContact NH2-O 3.26Å; F414-D416 WeakPolarHBondContact CD2-O 3.25Å; F414-D416 WeakPolarHBondContact CE2-O 3.31Å
417	K	85.4	Confident	90.3	Very high	180 Å²	180	48.2 Å²	48.2	78%	0.783	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104	18.9	177.6	-61.4	-169.9	177.8	-170.1	0	113.5	K274 I415	K274-K417 PolarHBondContact NZ-O 3.34Å; I415-K417 PolarHBondContact O-N 2.96Å
418	G	89.5	Confident	91.5	Very high	8 Å²	8	41 Å²	41	8%	0.082	20%	0.199	C	C	.	.	S	Bend	trans	-71.2	-179.1	176	0	0	0	0	0	113.5	R308 I415	R308-G418 PolarHBondContact NE-O 2.89Å; R308-G418 VanDerWaalsContact NE-O 3.13Å; R308-G418 PolarHBondContact NH2-O 2.8Å; I415-G418 WeakPolarHBondContact O-CA 3.16Å; I415-G418 PolarHBondContact O-N 3.25Å
419	P	94.3	Very high	92.5	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.006	18%	0.179	C	C	.	.			trans	-65.6	161.4	173.7	25.1	-31.4	0	0	0	113.5	A304 A307 F414 H430 D436	A304-P419 HydrophobicContact CB-CB 3.57Å; A304-P419 HydrophobicContact CB-CG 3.86Å; A307-P419 HydrophobicContact CB-CB 4.23Å; F414-P419 WeakPolarHBondContact CB-O 3.49Å; P419-H430 WeakPolarHBondContact CG-NE2 3.48Å; P419-D436 WeakPolarHBondContact CD-OD2 3.35Å; P419-D436 WeakPolarHBondContact CG-OD2 3.3Å
420	L	95.2	Very high	93.1	Very high	12 Å²	12	36.5 Å²	36.5	6%	0.063	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-91.5	139.1	171.7	-67.1	163	0	0	0	110.2	W306 M314 V401 F403 A412 F414	W306-L420 HydrophobicContact CB-CB 3.99Å; W306-L420 PolarHBondContact O-N 2.88Å; M314-L420 HydrophobicContact SD-CD1 3.99Å; V401-L420 HydrophobicContact CG2-CD2 3.66Å; F403-L420 HydrophobicContact CD2-CD1 4.27Å; F403-L420 HydrophobicContact CE2-CB 4.14Å; F403-L420 HydrophobicContact CE2-CD1 3.79Å; A412-L420 HydrophobicContact CB-CB 4.27Å; A412-L420 HydrophobicContact CB-CD2 4.22Å; F414-L420 HydrophobicContact CB-CD2 4.05Å; F414-L420 HydrophobicContact CD1-CD2 3.52Å; F414-L420 HydrophobicContact CE1-CD2 4.28Å; F414-L420 HydrophobicContact CG-CD2 4.01Å
421	H	95	Very high	93.6	Very high	12 Å²	12	28.8 Å²	28.8	6%	0.056	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-127.2	143.3	-179.6	-55.4	-74.9	0	0	0	111.6	A412 Y413 S423 H426 L427 H430	A412-H421 CarbonylContact C-O 3.58Å; A412-H421 VanDerWaalsContact CA-O 3.29Å; A412-H421 WeakPolarHBondContact CA-O 3.44Å; A412-H421 WeakPolarHBondContact CB-O 3.42Å; Y413-H421 PolarHBondContact N-O 3.35Å; Y413-H421 PolarHBondContact O-CD2 2.88Å; Y413-H421 PolarHBondContact O-N 2.89Å; H421-S423 VanDerWaalsContact C-N 3.26Å; H421-S423 PolarHBondContact O-N 3.49Å; H421-H426 HydrophobicContact CB-CB 4.17Å; H421-L427 HydrophobicContact CB-CB 4.06Å; H421-H430 WeakPolarHBondContact CE1-CB 3.47Å; H421-H430 AromaticContact CE1-CD2 3.6Å; H421-H430 AromaticContact CE1-CG 3.37Å; H421-H430 AromaticContact CE1-ND1 3.93Å; H421-H430 AromaticContact NE2-CD2 3.72Å; H421-H430 AromaticContact NE2-CG 3.94Å
422	L	93	Very high	93.5	Very high	23 Å²	23	25.9 Å²	25.9	12%	0.12	13%	0.126	C	C	.	.	S	Bend	trans	-66.6	-23.5	-177.5	-54.9	-179.3	0	0	0	114.1	W306 P336 F403 T409	W306-L422 HydrophobicContact CE3-CD2 4.37Å; W306-L422 HydrophobicContact CH2-CD1 3.9Å; W306-L422 HydrophobicContact CH2-CD2 3.72Å; W306-L422 HydrophobicContact CH2-CG 3.86Å; W306-L422 HydrophobicContact CZ2-CD2 4.33Å; W306-L422 HydrophobicContact CZ3-CD1 4.17Å; W306-L422 HydrophobicContact CZ3-CD2 3.75Å; W306-L422 HydrophobicContact CZ3-CG 3.7Å; P336-L422 HydrophobicContact CG-CD1 4.33Å; F403-L422 HydrophobicContact CD1-CD2 4.12Å; F403-L422 HydrophobicContact CE1-CD2 3.71Å; T409-L422 HydrophobicContact CG2-CB 4.36Å; T409-L422 HydrophobicContact CG2-CD2 3.7Å
423	S	94	Very high	93	Very high	23 Å²	23	27.4 Å²	27.4	16%	0.161	13%	0.131	C	C	.	.	S	Bend	trans	-154.7	168.8	177.6	82.9	0	0	0	0	111.9	Y413 H421 E425 H426 L427	Y413-S423 VanDerWaalsContact CD2-CA 3.47Å; H421-S423 VanDerWaalsContact C-N 3.26Å; H421-S423 PolarHBondContact O-N 3.49Å; S423-E425 VanDerWaalsContact C-N 3.28Å; S423-E425 WeakPolarHBondContact CB-OE2 3.38Å; S423-E425 PolarHBondContact O-N 2.94Å; S423-E425 PolarHBondContact OG-N 3.25Å; S423-E425 PolarHBondContact OG-OE2 3.08Å; S423-H426 PolarHBondContact O-N 2.91Å; S423-H426 PolarHBondContact OG-N 2.91Å; S423-H426 PolarHBondContact OG-ND1 3.46Å; S423-L427 PolarHBondContact O-N 3.19Å
424	L	95.4	Very high	92.5	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.016	13%	0.125	C	C	.	.	H	α-helix	trans	-62.9	-33.7	174.8	-68.3	175.1	0	0	0	112.3	W346 F383 I398 Y413 L427 V428	W346-L424 HydrophobicContact CH2-CB 3.61Å; W346-L424 HydrophobicContact CZ3-CB 4.15Å; F383-L424 HydrophobicContact CD1-CD1 3.97Å; F383-L424 HydrophobicContact CD2-CD1 4.33Å; F383-L424 HydrophobicContact CD2-CD2 4.22Å; F383-L424 HydrophobicContact CE1-CD1 3.89Å; F383-L424 HydrophobicContact CE2-CD1 4.28Å; F383-L424 HydrophobicContact CG-CD1 4.19Å; F383-L424 HydrophobicContact CG-CD2 4.39Å; F383-L424 HydrophobicContact CZ-CD1 4.06Å; I398-L424 HydrophobicContact CD1-CD2 4.09Å; I398-L424 HydrophobicContact CG2-CD2 3.9Å; Y413-L424 HydrophobicContact CD1-CD2 3.44Å; Y413-L424 VanDerWaalsContact CD1-CD2 3.44Å; Y413-L424 HydrophobicContact CD1-CG 3.76Å; Y413-L424 HydrophobicContact CE1-CD1 4.48Å; Y413-L424 HydrophobicContact CE1-CD2 3.99Å; Y413-L424 HydrophobicContact CE1-CG 3.85Å; Y413-L424 HydrophobicContact CG-CD2 4.03Å; Y413-L424 HydrophobicContact CG-CG 4.32Å; L424-L427 WeakPolarHBondContact O-CB 3.29Å; L424-L427 PolarHBondContact O-N 3.43Å; L424-V428 WeakPolarHBondContact O-CG2 3.42Å; L424-V428 PolarHBondContact O-N 2.94Å
425	E	95.9	Very high	91.8	Very high	37 Å²	37	26.6 Å²	26.6	17%	0.173	13%	0.134	C	C	.	.	H	α-helix	trans	-62.3	-46.4	173.4	-57.2	75.3	-172.2	0	0	111	A339 Q343 W346 S423 L427 V428 E429	A339-E425 HydrophobicContact CB-CB 3.65Å; Q343-E425 VanDerWaalsContact CG-OE1 3.3Å; Q343-E425 WeakPolarHBondContact CG-OE1 3.42Å; Q343-E425 PolarHBondContact NE2-OE1 3.01Å; W346-E425 HydrophobicContact CZ2-CB 4.44Å; W346-E425 HydrophobicContact CZ2-CG 4.07Å; S423-E425 VanDerWaalsContact C-N 3.28Å; S423-E425 WeakPolarHBondContact CB-OE2 3.38Å; S423-E425 PolarHBondContact O-N 2.94Å; S423-E425 PolarHBondContact OG-N 3.25Å; S423-E425 PolarHBondContact OG-OE2 3.08Å; E425-L427 VanDerWaalsContact C-N 3.28Å; E425-L427 PolarHBondContact O-N 2.83Å; E425-V428 PolarHBondContact O-N 3.19Å; E425-E429 VanDerWaalsContact O-CB 3.26Å; E425-E429 WeakPolarHBondContact O-CB 3.38Å; E425-E429 PolarHBondContact O-N 2.76Å
426	H	94.6	Very high	91.4	Very high	41 Å²	41	28.1 Å²	28.1	19%	0.19	14%	0.142	C	C	.	.	H	α-helix	trans	-65.3	-30.6	176.6	-67.5	93.5	0	0	0	112.8	H421 S423 H430	H421-H426 HydrophobicContact CB-CB 4.17Å; S423-H426 PolarHBondContact O-N 2.91Å; S423-H426 PolarHBondContact OG-N 2.91Å; S423-H426 PolarHBondContact OG-ND1 3.46Å; H426-H430 WeakPolarHBondContact O-CB 3.47Å; H426-H430 PolarHBondContact O-N 2.62Å; H426-H430 VanDerWaalsContact O-N 3.1Å
427	L	96.2	Very high	91	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-66.3	-48.1	172	-176.2	154	0	0	0	110.7	I398 I415 H421 S423 L424 E425 E429 H430 Y431	I398-L427 HydrophobicContact CD1-CD1 4.3Å; I398-L427 HydrophobicContact CD1-CD2 4Å; I398-L427 HydrophobicContact CG1-CD1 4.25Å; I398-L427 HydrophobicContact CG2-CD1 3.81Å; I415-L427 HydrophobicContact CD1-CD2 4.42Å; H421-L427 HydrophobicContact CB-CB 4.06Å; S423-L427 PolarHBondContact O-N 3.19Å; L424-L427 WeakPolarHBondContact O-CB 3.29Å; L424-L427 PolarHBondContact O-N 3.43Å; E425-L427 VanDerWaalsContact C-N 3.28Å; E425-L427 PolarHBondContact O-N 2.83Å; L427-E429 VanDerWaalsContact C-N 3.34Å; L427-E429 PolarHBondContact O-N 2.87Å; L427-H430 PolarHBondContact O-N 3.29Å; L427-Y431 HydrophobicContact CD2-CD2 3.75Å; L427-Y431 HydrophobicContact CD2-CE2 4.11Å; L427-Y431 HydrophobicContact CG-CD2 3.93Å; L427-Y431 HydrophobicContact CG-CE2 3.95Å; L427-Y431 VanDerWaalsContact O-CD2 3.27Å; L427-Y431 WeakPolarHBondContact O-CD2 3.43Å; L427-Y431 PolarHBondContact O-N 3.42Å
428	V	95.9	Very high	91	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63.2	-40.4	175.5	170.9	0	0	0	0	111.4	W346 F371 I373 L424 E425 H430 Y431 S432 L442 I455	W346-V428 HydrophobicContact CD2-CG2 4.04Å; W346-V428 HydrophobicContact CE3-CG2 4.33Å; W346-V428 HydrophobicContact CH2-CG2 4.26Å; W346-V428 HydrophobicContact CZ2-CB 4.34Å; W346-V428 HydrophobicContact CZ2-CG2 3.92Å; W346-V428 HydrophobicContact CZ3-CG2 4.43Å; F371-V428 HydrophobicContact CE2-CG1 3.97Å; F371-V428 HydrophobicContact CE2-CG2 4Å; F371-V428 HydrophobicContact CZ-CG1 3.63Å; I373-V428 HydrophobicContact CD1-CG2 3.55Å; L424-V428 WeakPolarHBondContact O-CG2 3.42Å; L424-V428 PolarHBondContact O-N 2.94Å; E425-V428 PolarHBondContact O-N 3.19Å; V428-H430 VanDerWaalsContact C-N 3.3Å; V428-H430 PolarHBondContact O-N 3.22Å; V428-Y431 PolarHBondContact O-N 2.82Å; V428-S432 VanDerWaalsContact O-CB 3.29Å; V428-S432 WeakPolarHBondContact O-CB 3.3Å; V428-S432 PolarHBondContact O-N 2.96Å; V428-S432 PolarHBondContact O-OG 3.34Å; V428-L442 HydrophobicContact CB-CD1 4.45Å; V428-L442 HydrophobicContact CG1-CD1 4.21Å; V428-L442 HydrophobicContact CG2-CD1 4.29Å; V428-I455 HydrophobicContact CG1-CD1 4.12Å
429	E	92.6	Very high	90.5	Very high	18 Å²	18	20.5 Å²	20.5	8%	0.084	13%	0.128	C	C	.	.	H	α-helix	trans	-59	-38.7	177.3	-167.3	65.4	-161	0	0	112.4	A339 I340 E425 L427 R433	A339-E429 HydrophobicContact CB-CB 3.9Å; A339-E429 HydrophobicContact CB-CG 4.03Å; I340-E429 WeakPolarHBondContact CB-OE2 3.38Å; I340-E429 VanDerWaalsContact CD1-OE1 3.29Å; I340-E429 WeakPolarHBondContact CD1-OE1 3.08Å; I340-E429 VanDerWaalsContact CG1-OE1 3.3Å; I340-E429 WeakPolarHBondContact CG1-OE1 3.36Å; I340-E429 PolarHBondContact N-OE2 2.94Å; E425-E429 VanDerWaalsContact O-CB 3.26Å; E425-E429 WeakPolarHBondContact O-CB 3.38Å; E425-E429 PolarHBondContact O-N 2.76Å; L427-E429 VanDerWaalsContact C-N 3.34Å; L427-E429 PolarHBondContact O-N 2.87Å; E429-R433 PolarHBondContact O-NH1 2.65Å; E429-R433 IonicContact OE1-CZ 2.86Å; E429-R433 IonicContact OE1-NH1 3.8Å; E429-R433 PolarHBondContact OE1-NH1 3.19Å; E429-R433 IonicContact OE1-NH2 2.77Å; E429-R433 PolarHBondContact OE1-NH2 2.85Å; E429-R433 IonicContact OE2-NH1 2.83Å
430	H	93.3	Very high	90	Very high	13 Å²	13	21.6 Å²	21.6	6%	0.06	14%	0.135	C	C	.	.	H	α-helix	trans	-70.8	-55.8	173.9	175.8	82.8	0	0	0	112.1	Q272 P419 H421 H426 L427 V428 S432 R433 F434 D436	Q272-H430 PolarHBondContact NE2-CE1 3.37Å; P419-H430 WeakPolarHBondContact CG-NE2 3.48Å; H421-H430 WeakPolarHBondContact CE1-CB 3.47Å; H421-H430 AromaticContact CE1-CD2 3.6Å; H421-H430 AromaticContact CE1-CG 3.37Å; H421-H430 AromaticContact CE1-ND1 3.93Å; H421-H430 AromaticContact NE2-CD2 3.72Å; H421-H430 AromaticContact NE2-CG 3.94Å; H426-H430 WeakPolarHBondContact O-CB 3.47Å; H426-H430 PolarHBondContact O-N 2.62Å; H426-H430 VanDerWaalsContact O-N 3.1Å; L427-H430 PolarHBondContact O-N 3.29Å; V428-H430 VanDerWaalsContact C-N 3.3Å; V428-H430 PolarHBondContact O-N 3.22Å; H430-S432 PolarHBondContact O-N 3.06Å; H430-S432 VanDerWaalsContact O-N 3.14Å; H430-R433 PolarHBondContact O-N 3.36Å; H430-F434 AromaticContact ND1-CD2 3.85Å; H430-F434 PolarHBondContact O-N 3.01Å; H430-D436 IonicContact CD2-OD2 3.58Å; H430-D436 IonicContact CE1-OD2 3.6Å; H430-D436 PolarHBondContact CE1-OD2 2.64Å; H430-D436 IonicContact NE2-OD2 3.36Å; H430-D436 PolarHBondContact NE2-OD2 3.09Å
431	Y	93.8	Very high	89.6	Confident	3 Å²	3	23.2 Å²	23.2	1%	0.012	14%	0.14	C	C	.	.	H	α-helix	trans	-68.3	-13.8	-177.2	-73.8	-71.6	0	0	0	113.5	I415 L427 V428 F434 D436 I438 R441 L442	I415-Y431 HydrophobicContact CD1-CD2 4.4Å; I415-Y431 HydrophobicContact CD1-CE2 3.96Å; I415-Y431 HydrophobicContact CG1-CE2 4.41Å; L427-Y431 HydrophobicContact CD2-CD2 3.75Å; L427-Y431 HydrophobicContact CD2-CE2 4.11Å; L427-Y431 HydrophobicContact CG-CD2 3.93Å; L427-Y431 HydrophobicContact CG-CE2 3.95Å; L427-Y431 VanDerWaalsContact O-CD2 3.27Å; L427-Y431 WeakPolarHBondContact O-CD2 3.43Å; L427-Y431 PolarHBondContact O-N 3.42Å; V428-Y431 PolarHBondContact O-N 2.82Å; Y431-F434 WeakPolarHBondContact CA-O 3.4Å; Y431-D436 HydrophobicContact CE1-CB 4.05Å; Y431-I438 HydrophobicContact CD1-CD1 3.96Å; Y431-I438 HydrophobicContact CD1-CG1 3.88Å; Y431-I438 HydrophobicContact CE1-CG1 4.4Å; Y431-I438 HydrophobicContact CG-CD1 4.35Å; Y431-R441 CarbonylContact O-C 3.36Å; Y431-R441 WeakPolarHBondContact O-CA 3.46Å; Y431-L442 PolarHBondContact O-N 3.45Å
432	S	89.7	Confident	89.4	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-74.5	-27.3	167.6	-57.5	0	0	0	0	113.3	V428 H430 R441 L442 I455 L500	V428-S432 VanDerWaalsContact O-CB 3.29Å; V428-S432 WeakPolarHBondContact O-CB 3.3Å; V428-S432 PolarHBondContact O-N 2.96Å; V428-S432 PolarHBondContact O-OG 3.34Å; H430-S432 PolarHBondContact O-N 3.06Å; H430-S432 VanDerWaalsContact O-N 3.14Å; S432-R441 VanDerWaalsContact O-CD 3.24Å; S432-R441 WeakPolarHBondContact O-CD 3.17Å; S432-R441 PolarHBondContact O-NE 2.75Å; S432-L442 WeakPolarHBondContact CA-O 3.25Å; S432-I455 WeakPolarHBondContact OG-CD1 3.13Å; S432-L500 WeakPolarHBondContact O-CD2 3.32Å
433	R	83.4	Confident	89.1	Confident	32 Å²	32	23.4 Å²	23.4	12%	0.121	14%	0.141	C	C	.	.	H	α-helix	trans	-93.4	-41.6	178.3	-72.8	168.6	176.7	66.8	-6.2	113.1	H302 E429 H430 R441 L500	H302-R433 PolarHBondContact CD2-NE 2.82Å; H302-R433 PolarHBondContact NE2-NE 2.9Å; H302-R433 VanDerWaalsContact NE2-NE 3.1Å; E429-R433 PolarHBondContact O-NH1 2.65Å; E429-R433 IonicContact OE1-CZ 2.86Å; E429-R433 IonicContact OE1-NH1 3.8Å; E429-R433 PolarHBondContact OE1-NH1 3.19Å; E429-R433 IonicContact OE1-NH2 2.77Å; E429-R433 PolarHBondContact OE1-NH2 2.85Å; E429-R433 IonicContact OE2-NH1 2.83Å; H430-R433 PolarHBondContact O-N 3.36Å; R433-R441 WeakPolarHBondContact O-CD 3.04Å; R433-L500 HydrophobicContact CG-CD2 4.4Å
434	F	86.2	Confident	89.1	Confident	7 Å²	7	24.6 Å²	24.6	3%	0.031	14%	0.142	C	C	.	.			trans	-130.3	131.5	-172.6	-48.6	-71.9	0	0	0	109.7	N270 P271 Q272 H302 H430 Y431 D436 A498	N270-F434 WeakPolarHBondContact OD1-CD1 3.15Å; P271-F434 HydrophobicContact CG-CE1 3.98Å; P271-F434 HydrophobicContact CG-CZ 3.82Å; Q272-F434 HydrophobicContact CG-CB 3.83Å; Q272-F434 HydrophobicContact CG-CD1 4.01Å; Q272-F434 HydrophobicContact CG-CD2 3.79Å; Q272-F434 HydrophobicContact CG-CE2 4.35Å; Q272-F434 HydrophobicContact CG-CG 3.58Å; H302-F434 HydrophobicContact CB-CE2 3.84Å; H302-F434 HydrophobicContact CB-CZ 4.13Å; H302-F434 VanDerWaalsContact O-CE2 3.3Å; H302-F434 WeakPolarHBondContact O-CE2 3.43Å; H430-F434 AromaticContact ND1-CD2 3.85Å; H430-F434 PolarHBondContact O-N 3.01Å; Y431-F434 WeakPolarHBondContact CA-O 3.4Å; F434-D436 HydrophobicContact CB-CB 4.3Å; F434-A498 HydrophobicContact CE1-CB 4.29Å
435	A	81	Confident	89	Confident	30 Å²	30	24.5 Å²	24.5	25%	0.248	14%	0.141	C	C	.	.			trans	-73.3	-31.9	-179.6	0	0	0	0	0	112	G437 I438	A435-G437 PolarHBondContact O-N 3.47Å; A435-I438 VanDerWaalsContact CB-O 3.3Å; A435-I438 WeakPolarHBondContact CB-O 3.44Å; A435-I438 WeakPolarHBondContact O-CG1 3.32Å; A435-I438 PolarHBondContact O-N 3.3Å
436	D	86	Confident	88.9	Confident	38 Å²	38	23 Å²	23	20%	0.203	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	42.1	39.2	162.3	-157	26.4	0	0	0	116.6	P419 H430 Y431 F434	P419-D436 WeakPolarHBondContact CD-OD2 3.35Å; P419-D436 WeakPolarHBondContact CG-OD2 3.3Å; H430-D436 IonicContact CD2-OD2 3.58Å; H430-D436 IonicContact CE1-OD2 3.6Å; H430-D436 PolarHBondContact CE1-OD2 2.64Å; H430-D436 IonicContact NE2-OD2 3.36Å; H430-D436 PolarHBondContact NE2-OD2 3.09Å; Y431-D436 HydrophobicContact CE1-CB 4.05Å; F434-D436 HydrophobicContact CB-CB 4.3Å
437	G	81.1	Confident	88.9	Confident	72 Å²	72	21.3 Å²	21.3	74%	0.742	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	115.7	-25	-180	0	0	0	0	0	115.3	A435	A435-G437 PolarHBondContact O-N 3.47Å
438	I	85.8	Confident	88.7	Confident	8 Å²	8	24.8 Å²	24.8	4%	0.041	15%	0.15	C	C	.	.	S	Bend	trans	-84.4	153.1	165.3	62.9	164.9	0	0	0	110	L387 Y396 Y431 A435 V440 L442	L387-I438 HydrophobicContact CD2-CB 4.2Å; L387-I438 HydrophobicContact CD2-CD1 4.02Å; Y396-I438 HydrophobicContact CD1-CG2 4.01Å; Y396-I438 HydrophobicContact CD2-CG2 4Å; Y396-I438 HydrophobicContact CE1-CG2 3.78Å; Y396-I438 HydrophobicContact CE2-CB 4.36Å; Y396-I438 HydrophobicContact CE2-CG2 3.78Å; Y396-I438 HydrophobicContact CG-CG2 4.12Å; Y431-I438 HydrophobicContact CD1-CD1 3.96Å; Y431-I438 HydrophobicContact CD1-CG1 3.88Å; Y431-I438 HydrophobicContact CE1-CG1 4.4Å; Y431-I438 HydrophobicContact CG-CD1 4.35Å; A435-I438 VanDerWaalsContact CB-O 3.3Å; A435-I438 WeakPolarHBondContact CB-O 3.44Å; A435-I438 WeakPolarHBondContact O-CG1 3.32Å; A435-I438 PolarHBondContact O-N 3.3Å; I438-V440 VanDerWaalsContact C-N 3.33Å; I438-V440 WeakPolarHBondContact CD1-O 3.39Å; I438-V440 WeakPolarHBondContact CG1-O 3.43Å; I438-V440 PolarHBondContact O-N 2.86Å; I438-L442 HydrophobicContact CD1-CD2 3.81Å; I438-L442 HydrophobicContact CD1-CG 4.25Å
439	P	78.5	Confident	88.3	Confident	57 Å²	57	29.9 Å²	29.9	37%	0.37	19%	0.186	S	C	.	.	S	Bend	trans	-76.5	-15.5	-169.7	28.8	-36.7	0	0	0	114.7	Y389 L394 Y396	Y389-P439 HydrophobicContact CD1-CB 3.9Å; Y389-P439 HydrophobicContact CD1-CG 3.67Å; Y389-P439 HydrophobicContact CD2-CG 4.45Å; Y389-P439 HydrophobicContact CE1-CB 3.68Å; Y389-P439 HydrophobicContact CE1-CG 4.01Å; Y389-P439 HydrophobicContact CE2-CB 4.38Å; Y389-P439 HydrophobicContact CG-CB 4.33Å; Y389-P439 HydrophobicContact CG-CG 3.91Å; L394-P439 HydrophobicContact CD1-CG 3.59Å; Y396-P439 WeakPolarHBondContact OH-CD 3.27Å
440	V	82.7	Confident	88	Confident	25 Å²	25	31.6 Å²	31.6	15%	0.152	21%	0.209	C	C	.	.	S	Bend	trans	-147.5	150.4	178.6	64.9	0	0	0	0	109.1	L387 Y389 I438	L387-V440 HydrophobicContact CD1-CG1 4.1Å; L387-V440 HydrophobicContact CD2-CG1 4.12Å; L387-V440 HydrophobicContact CG-CG1 4.4Å; Y389-V440 HydrophobicContact CD2-CB 3.81Å; Y389-V440 HydrophobicContact CD2-CG1 3.59Å; Y389-V440 HydrophobicContact CE2-CB 4.01Å; Y389-V440 HydrophobicContact CE2-CG1 4.31Å; Y389-V440 HydrophobicContact CG-CG1 4.23Å; I438-V440 VanDerWaalsContact C-N 3.33Å; I438-V440 WeakPolarHBondContact CD1-O 3.39Å; I438-V440 WeakPolarHBondContact CG1-O 3.43Å; I438-V440 PolarHBondContact O-N 2.86Å
441	R	87.2	Confident	87.7	Confident	45 Å²	45	39.3 Å²	39.3	17%	0.17	24%	0.237	C	C	.	.			trans	-62.6	155.8	172.3	-51.7	-169.9	-49.7	-150.6	-4.5	110.8	G369 Y431 S432 R433 H443 E456 P499 L500	G369-R441 WeakPolarHBondContact CA-O 3.35Å; Y431-R441 CarbonylContact O-C 3.36Å; Y431-R441 WeakPolarHBondContact O-CA 3.46Å; S432-R441 VanDerWaalsContact O-CD 3.24Å; S432-R441 WeakPolarHBondContact O-CD 3.17Å; S432-R441 PolarHBondContact O-NE 2.75Å; R433-R441 WeakPolarHBondContact O-CD 3.04Å; R441-H443 PolarHBondContact NE-NE2 2.98Å; R441-H443 PolarHBondContact O-N 2.9Å; R441-E456 IonicContact CZ-OE1 2.65Å; R441-E456 IonicContact NH2-OE1 3.45Å; R441-E456 PolarHBondContact NH2-OE1 2.94Å; R441-P499 PolarHBondContact NH1-O 2.72Å; R441-P499 VanDerWaalsContact NH1-O 3.11Å; R441-L500 PolarHBondContact NH2-O 2.84Å
442	L	92.1	Very high	87.6	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.01	26%	0.258	C	S	.	.			trans	-70.5	124.4	166.5	-53.5	-175.3	0	0	0	109.6	F371 L385 L387 V428 Y431 S432 I438	F371-L442 HydrophobicContact CB-CD2 3.97Å; F371-L442 HydrophobicContact CD1-CB 3.79Å; F371-L442 HydrophobicContact CD1-CD1 4.46Å; F371-L442 HydrophobicContact CD1-CD2 4.09Å; F371-L442 HydrophobicContact CD1-CG 4.31Å; F371-L442 HydrophobicContact CD2-CD1 4.04Å; F371-L442 HydrophobicContact CD2-CD2 4.31Å; F371-L442 HydrophobicContact CE1-CB 3.75Å; F371-L442 HydrophobicContact CE1-CD1 4.42Å; F371-L442 HydrophobicContact CE2-CD1 3.98Å; F371-L442 HydrophobicContact CG-CB 4.34Å; F371-L442 HydrophobicContact CG-CD1 4.29Å; F371-L442 HydrophobicContact CG-CD2 3.84Å; F371-L442 HydrophobicContact CG-CG 4.37Å; F371-L442 HydrophobicContact CZ-CB 4.27Å; F371-L442 HydrophobicContact CZ-CD1 4.19Å; L385-L442 HydrophobicContact CD1-CD1 4.33Å; L385-L442 HydrophobicContact CD1-CD2 4.16Å; L385-L442 HydrophobicContact CD2-CD2 4.32Å; L387-L442 HydrophobicContact CD1-CD2 3.88Å; V428-L442 HydrophobicContact CB-CD1 4.45Å; V428-L442 HydrophobicContact CG1-CD1 4.21Å; V428-L442 HydrophobicContact CG2-CD1 4.29Å; Y431-L442 PolarHBondContact O-N 3.45Å; S432-L442 WeakPolarHBondContact CA-O 3.25Å; I438-L442 HydrophobicContact CD1-CD2 3.81Å; I438-L442 HydrophobicContact CD1-CG 4.25Å
443	H	85.8	Confident	87.5	Confident	38 Å²	38	43.2 Å²	43.2	18%	0.176	26%	0.261	C	S	.	.			trans	-122.3	-46.1	-176.9	-72.1	176.1	0	0	0	112.4	G369 R441 I455 E456	G369-H443 PolarHBondContact O-N 2.82Å; R441-H443 PolarHBondContact NE-NE2 2.98Å; R441-H443 PolarHBondContact O-N 2.9Å; H443-I455 PolarHBondContact O-N 3.44Å; H443-E456 IonicContact CD2-OE1 2.62Å; H443-E456 IonicContact NE2-OE1 2.73Å
444	Y	93.3	Very high	87.8	Confident	48 Å²	48	43.2 Å²	43.2	19%	0.188	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	99.1	-170.2	-47.6	-85.6	0	0	0	111.2	K367 G369 A370 F371 T453 N454	K367-Y444 HydrophobicContact CB-CD2 4.11Å; K367-Y444 HydrophobicContact CB-CE2 3.67Å; K367-Y444 HydrophobicContact CD-CE1 4.33Å; K367-Y444 HydrophobicContact CD-CE2 4.04Å; K367-Y444 HydrophobicContact CG-CE2 4.49Å; G369-Y444 PolarHBondContact O-N 2.95Å; G369-Y444 VanDerWaalsContact O-N 3.1Å; A370-Y444 CarbonylContact C-O 3.56Å; A370-Y444 VanDerWaalsContact CA-O 3.28Å; A370-Y444 WeakPolarHBondContact CA-O 3.2Å; A370-Y444 HydrophobicContact CB-CD2 4.29Å; F371-Y444 WeakPolarHBondContact CD1-O 3.49Å; F371-Y444 PolarHBondContact N-O 2.95Å; Y444-T453 CarbonylContact C-O 3.53Å; Y444-T453 WeakPolarHBondContact CA-O 3.43Å; Y444-N454 HydrophobicContact CD1-CB 4.01Å; Y444-N454 HydrophobicContact CE1-CB 4.16Å
445	A	94.4	Very high	87.7	Confident	0 Å²	0	43 Å²	43	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	130.7	175.4	0	0	0	0	0	110.5	D345 W346 F371 V452 T453 I455	D345-A445 HydrophobicContact CB-CB 4.41Å; W346-A445 HydrophobicContact CB-CB 4Å; F371-A445 HydrophobicContact CE1-CB 3.87Å; F371-A445 HydrophobicContact CZ-CB 3.89Å; A445-V452 CarbonylContact O-C 3.6Å; A445-V452 WeakPolarHBondContact O-CA 3.23Å; A445-T453 PolarHBondContact N-O 2.93Å; A445-T453 PolarHBondContact O-N 3.31Å; A445-I455 HydrophobicContact CB-CD1 4.37Å; A445-I455 HydrophobicContact CB-CG1 4.29Å
446	I	94	Very high	87.3	Confident	6 Å²	6	43.9 Å²	43.9	3%	0.031	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	110.5	176.1	-52.6	175.2	0	0	0	109	D345 H348 I359 F360 I366 A370 F371 L372 V452	D345-I446 CarbonylContact O-C 3.03Å; H348-I446 PolarHBondContact NE2-O 2.8Å; I359-I446 HydrophobicContact CG2-CD1 4.4Å; I359-I446 HydrophobicContact CG2-CG2 4.34Å; F360-I446 HydrophobicContact CE1-CD1 3.69Å; F360-I446 HydrophobicContact CZ-CD1 3.77Å; I366-I446 HydrophobicContact CD1-CD1 4.36Å; A370-I446 HydrophobicContact CB-CD1 4.5Å; F371-I446 WeakPolarHBondContact O-CG1 3.42Å; F371-I446 PolarHBondContact O-N 3.5Å; L372-I446 HydrophobicContact CB-CB 4.41Å; I446-V452 HydrophobicContact CG1-CG2 4.38Å
447	S	93.4	Very high	86.9	Confident	6 Å²	6	49.2 Å²	49.2	4%	0.042	29%	0.285	C	S	.	.			trans	-74.2	164.4	-177.3	77.6	0	0	0	0	113.3	D345 H348 S449 G450 R451	D345-S447 VanDerWaalsContact O-CA 3.26Å; D345-S447 WeakPolarHBondContact O-CA 3.38Å; D345-S447 PolarHBondContact O-N 2.87Å; D345-S447 VanDerWaalsContact O-N 3.17Å; H348-S447 PolarHBondContact CE1-O 2.91Å; H348-S447 PolarHBondContact NE2-O 2.84Å; S447-S449 PolarHBondContact O-N 3.14Å; S447-S449 VanDerWaalsContact O-N 3.16Å; S447-S449 PolarHBondContact OG-N 3.07Å; S447-S449 PolarHBondContact OG-OG 3.26Å; S447-G450 PolarHBondContact O-N 3Å; S447-G450 PolarHBondContact OG-N 3.35Å; S447-R451 PolarHBondContact N-O 3.47Å; S447-R451 WeakPolarHBondContact OG-CB 3.36Å; S447-R451 PolarHBondContact OG-N 2.89Å; S447-R451 PolarHBondContact OG-O 2.99Å
448	P	92	Very high	86.8	Confident	73 Å²	73	49 Å²	49	47%	0.474	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-21.8	168	-29.1	38.9	0	0	0	115	N344 Y347 G450	N344-P448 WeakPolarHBondContact O-CD 3.42Å; Y347-P448 WeakPolarHBondContact O-CG 3.47Å; P448-G450 VanDerWaalsContact C-N 3.31Å
449	S	88.9	Confident	85.9	Confident	106 Å²	106	50.8 Å²	50.8	74%	0.741	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	7.4	173.5	53.1	0	0	0	0	113.7	S447 R451	S447-S449 PolarHBondContact O-N 3.14Å; S447-S449 VanDerWaalsContact O-N 3.16Å; S447-S449 PolarHBondContact OG-N 3.07Å; S447-S449 PolarHBondContact OG-OG 3.26Å; S449-R451 PolarHBondContact O-N 3.31Å
450	G	85.2	Confident	85	Confident	55 Å²	55	51.6 Å²	51.6	57%	0.567	28%	0.283	S	S	*	.			trans	73.8	8.5	-179.1	0	0	0	0	0	114.4	S447 P448 V452	S447-G450 PolarHBondContact O-N 3Å; S447-G450 PolarHBondContact OG-N 3.35Å; P448-G450 VanDerWaalsContact C-N 3.31Å; G450-V452 PolarHBondContact O-N 3.42Å
451	R	88.3	Confident	83.4	Confident	174 Å²	174	59.1 Å²	59.1	66%	0.657	32%	0.316	S	S	*	.			trans	-75.2	126.2	176.3	-179.1	-178.5	175.2	173.3	0.5	109.1	S447 S449	S447-R451 PolarHBondContact N-O 3.47Å; S447-R451 WeakPolarHBondContact OG-CB 3.36Å; S447-R451 PolarHBondContact OG-N 2.89Å; S447-R451 PolarHBondContact OG-O 2.99Å; S449-R451 PolarHBondContact O-N 3.31Å
452	V	89.8	Confident	81.2	Confident	74 Å²	74	63.4 Å²	63.4	45%	0.448	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	115.4	171.2	-173.6	0	0	0	0	108.8	A445 I446 G450	A445-V452 CarbonylContact O-C 3.6Å; A445-V452 WeakPolarHBondContact O-CA 3.23Å; I446-V452 HydrophobicContact CG1-CG2 4.38Å; G450-V452 PolarHBondContact O-N 3.42Å
453	T	89.4	Confident	79	Confident	12 Å²	12	67 Å²	67	7%	0.074	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.9	-178.9	-62.1	0	0	0	0	110	Y444 A445 I455 L458	Y444-T453 CarbonylContact C-O 3.53Å; Y444-T453 WeakPolarHBondContact CA-O 3.43Å; A445-T453 PolarHBondContact N-O 2.93Å; A445-T453 PolarHBondContact O-N 3.31Å; T453-I455 PolarHBondContact O-N 3.41Å; T453-L458 HydrophobicContact CG2-CD1 3.89Å; T453-L458 HydrophobicContact CG2-CD2 4.08Å; T453-L458 HydrophobicContact CG2-CG 4.12Å
454	N	88.1	Confident	76.6	Confident	31 Å²	31	68.6 Å²	68.6	17%	0.166	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	114.9	173.3	-179.8	-6.4	0	0	0	109.7	Y444 E456 Q457	Y444-N454 HydrophobicContact CD1-CB 4.01Å; Y444-N454 HydrophobicContact CE1-CB 4.16Å; N454-E456 PolarHBondContact O-N 3.28Å; N454-E456 VanDerWaalsContact OD1-CB 3.3Å; N454-E456 WeakPolarHBondContact OD1-CB 3.41Å; N454-E456 VanDerWaalsContact OD1-CG 3.25Å; N454-E456 WeakPolarHBondContact OD1-CG 3.25Å; N454-E456 PolarHBondContact OD1-N 3.42Å; N454-Q457 HydrophobicContact CB-CG 4.07Å; N454-Q457 WeakPolarHBondContact O-CB 3.43Å; N454-Q457 PolarHBondContact O-N 2.77Å; N454-Q457 VanDerWaalsContact O-N 3.09Å
455	I	85.2	Confident	73.8	Confident	2 Å²	2	69.2 Å²	69.2	1%	0.01	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-61.9	-30.8	-178.6	-62.3	-178.2	0	0	0	111.3	T341 F371 V428 S432 H443 A445 T453 Q457 L458 L500	T341-I455 HydrophobicContact CG2-CD1 3.97Å; T341-I455 HydrophobicContact CG2-CG1 3.93Å; T341-I455 HydrophobicContact CG2-CG2 4.2Å; F371-I455 HydrophobicContact CE1-CD1 3.63Å; F371-I455 HydrophobicContact CZ-CD1 3.76Å; V428-I455 HydrophobicContact CG1-CD1 4.12Å; S432-I455 WeakPolarHBondContact OG-CD1 3.13Å; H443-I455 PolarHBondContact O-N 3.44Å; A445-I455 HydrophobicContact CB-CD1 4.37Å; A445-I455 HydrophobicContact CB-CG1 4.29Å; T453-I455 PolarHBondContact O-N 3.41Å; I455-Q457 PolarHBondContact O-N 2.9Å; I455-Q457 VanDerWaalsContact O-N 3.1Å; I455-L458 PolarHBondContact O-N 3.41Å; I455-L500 HydrophobicContact CG2-CD1 4.31Å
456	E	72	Confident	70.9	Confident	49 Å²	49	75.8 Å²	75.8	23%	0.229	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-63.3	-19.6	178.7	-43.3	-153.9	152.4	0	0	113.1	R441 H443 N454 L500 S501	R441-E456 IonicContact CZ-OE1 2.65Å; R441-E456 IonicContact NH2-OE1 3.45Å; R441-E456 PolarHBondContact NH2-OE1 2.94Å; H443-E456 IonicContact CD2-OE1 2.62Å; H443-E456 IonicContact NE2-OE1 2.73Å; N454-E456 PolarHBondContact O-N 3.28Å; N454-E456 VanDerWaalsContact OD1-CB 3.3Å; N454-E456 WeakPolarHBondContact OD1-CB 3.41Å; N454-E456 VanDerWaalsContact OD1-CG 3.25Å; N454-E456 WeakPolarHBondContact OD1-CG 3.25Å; N454-E456 PolarHBondContact OD1-N 3.42Å; E456-L500 HydrophobicContact CB-CB 3.87Å; E456-L500 HydrophobicContact CB-CD1 4.36Å; E456-L500 HydrophobicContact CG-CB 3.66Å; E456-L500 HydrophobicContact CG-CD1 4.25Å; E456-L500 HydrophobicContact CG-CG 4.5Å; E456-L500 VanDerWaalsContact OE1-O 3.04Å; E456-L500 VanDerWaalsContact OE2-C 3.28Å; E456-S501 VanDerWaalsContact OE2-CA 3.25Å; E456-S501 WeakPolarHBondContact OE2-CA 3.28Å; E456-S501 PolarHBondContact OE2-N 2.75Å
457	Q	77.7	Confident	68.3	Low	151 Å²	151	77 Å²	77	71%	0.706	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-89.7	-10.8	177.4	-63	177.9	-26.1	0	0	113.4	N454 I455	N454-Q457 HydrophobicContact CB-CG 4.07Å; N454-Q457 WeakPolarHBondContact O-CB 3.43Å; N454-Q457 PolarHBondContact O-N 2.77Å; N454-Q457 VanDerWaalsContact O-N 3.09Å; I455-Q457 PolarHBondContact O-N 2.9Å; I455-Q457 VanDerWaalsContact O-N 3.1Å
458	L	79.1	Confident	66	Low	67 Å²	67	79.6 Å²	79.6	35%	0.351	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-13.1	179.3	-59.8	177.9	0	0	0	113	I340 T341 T453 I455 P460	I340-L458 HydrophobicContact CG2-CB 3.45Å; I340-L458 VanDerWaalsContact CG2-CB 3.45Å; T341-L458 HydrophobicContact CG2-CD1 3.8Å; T453-L458 HydrophobicContact CG2-CD1 3.89Å; T453-L458 HydrophobicContact CG2-CD2 4.08Å; T453-L458 HydrophobicContact CG2-CG 4.12Å; I455-L458 PolarHBondContact O-N 3.41Å; L458-P460 VanDerWaalsContact O-CD 3.26Å; L458-P460 WeakPolarHBondContact O-CD 3.13Å
459	V	66.6	Low	63.5	Low	46 Å²	46	77.2 Å²	77.2	28%	0.279	42%	0.416	S	S	.	.	S	Bend	trans	-63.6	117.7	-178.8	-173.4	0	0	0	0	110.7	I340 H461 L463 L500	I340-V459 HydrophobicContact CD1-CG2 4.16Å; V459-H461 PolarHBondContact O-N 3.21Å; V459-L463 HydrophobicContact CG1-CD1 3.83Å; V459-L500 HydrophobicContact CG2-CD1 3.64Å; V459-L500 HydrophobicContact CG2-CG 4.48Å
460	P	59.8	Low	61.3	Low	74 Å²	74	72.3 Å²	72.3	48%	0.481	38%	0.382	S	S	.	.			trans	-59.7	131.2	175.8	-23.9	34.7	0	0	0	111.4	L458 N462	L458-P460 VanDerWaalsContact O-CD 3.26Å; L458-P460 WeakPolarHBondContact O-CD 3.13Å; P460-N462 PolarHBondContact O-N 2.89Å
461	H	48.4	Very low	59.3	Low	182 Å²	182	76.4 Å²	76.4	84%	0.843	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-14.4	-177.8	-61.3	-24	0	0	0	114.4	V459	V459-H461 PolarHBondContact O-N 3.21Å
462	N	41.6	Very low	57.1	Low	135 Å²	135	72.2 Å²	72.2	72%	0.722	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	31.8	-170.3	-61.1	-6.9	0	0	0	113.3	P460 D464	P460-N462 PolarHBondContact O-N 2.89Å; N462-D464 PolarHBondContact O-N 3.35Å; N462-D464 VanDerWaalsContact O-N 3.09Å
463	L	45.2	Very low	55.2	Low	78 Å²	78	71.9 Å²	71.9	41%	0.408	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-68.6	-2.5	-173.4	-110.4	165	0	0	0	115.7	V459 N465	V459-L463 HydrophobicContact CG1-CD1 3.83Å; L463-N465 PolarHBondContact O-N 3.16Å
464	D	36.3	Very low	52.8	Low	71 Å²	71	80 Å²	80	38%	0.38	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-61.7	-10	-170.9	-72.4	-2.7	0	0	0	116.5	N462 G493	N462-D464 PolarHBondContact O-N 3.35Å; N462-D464 VanDerWaalsContact O-N 3.09Å; D464-G493 WeakPolarHBondContact OD2-CA 3.39Å
465	N	33.6	Very low	50.4	Low	62 Å²	62	83 Å²	83	33%	0.332	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-121.3	-1.5	-163.7	-69.6	-63.5	0	0	0	117.4	L463 I487	L463-N465 PolarHBondContact O-N 3.16Å; N465-I487 VanDerWaalsContact O-O 3.12Å
466	H	35.2	Very low	48	Very low	137 Å²	137	87.6 Å²	87.6	63%	0.634	45%	0.454	S	S	*	.			trans	-126.5	47.5	-164.3	-62.8	-31	0	0	0	115.6
467	G	39.2	Very low	46.5	Very low	31 Å²	31	90.9 Å²	90.9	32%	0.32	49%	0.49	S	S	.	.			trans	-91.6	148.5	167.5	0	0	0	0	0	112.9	I487	G467-I487 PolarHBondContact O-N 2.89Å
468	Q	44.1	Very low	44.4	Very low	61 Å²	61	89.9 Å²	89.9	29%	0.285	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	151.1	157.5	-67.4	-172.5	-0.1	0	0	110	L484 R485	Q468-L484 HydrophobicContact CB-CD2 4.22Å; Q468-R485 CarbonylContact C-O 3.49Å; Q468-R485 WeakPolarHBondContact CA-O 3.19Å
469	E	40.7	Very low	42.1	Very low	24 Å²	24	89.6 Å²	89.6	11%	0.112	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	134.7	176.9	174	177.2	-132.5	0	0	109.4	R300 R471 L484 R485 I487	R300-E469 IonicContact CZ-OE1 3.12Å; R300-E469 IonicContact NH2-OE1 2.67Å; R300-E469 PolarHBondContact NH2-OE1 2.98Å; R300-E469 IonicContact NH2-OE2 3.93Å; E469-R471 VanDerWaalsContact CD-NE 3.33Å; E469-R471 HydrophobicContact CG-CG 3.89Å; E469-R471 IonicContact OE1-NE 3.58Å; E469-R471 IonicContact OE1-NH2 2.73Å; E469-R471 IonicContact OE2-CZ 3.58Å; E469-R471 IonicContact OE2-NE 2.64Å; E469-R471 PolarHBondContact OE2-NE 3.04Å; E469-R471 IonicContact OE2-NH2 3.75Å; E469-R471 PolarHBondContact OE2-NH2 3.34Å; E469-L484 CarbonylContact O-C 3.36Å; E469-L484 WeakPolarHBondContact O-CA 3.49Å; E469-R485 PolarHBondContact N-O 2.81Å; E469-R485 PolarHBondContact O-N 2.89Å; E469-I487 HydrophobicContact CB-CD1 3.93Å; E469-I487 HydrophobicContact CB-CG1 4.06Å
470	L	41.6	Very low	40.6	Very low	3 Å²	3	92.2 Å²	92.2	2%	0.016	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	119.9	165.5	-63.1	168.9	0	0	0	108.6	V295 N296 L327 A330 W482 A483 L484	V295-L470 HydrophobicContact CG1-CD1 4.44Å; N296-L470 PolarHBondContact ND2-O 2.87Å; N296-L470 WeakPolarHBondContact OD1-CB 3.42Å; N296-L470 PolarHBondContact OD1-N 3Å; L327-L470 HydrophobicContact CD1-CD1 4.34Å; A330-L470 HydrophobicContact CB-CD1 3.75Å; A330-L470 HydrophobicContact CB-CD2 3.46Å; A330-L470 VanDerWaalsContact CB-CD2 3.46Å; A330-L470 HydrophobicContact CB-CG 4.22Å; L470-W482 HydrophobicContact CB-CE3 4.1Å; L470-A483 WeakPolarHBondContact CA-O 3.48Å; L470-L484 HydrophobicContact CD2-CB 4.45Å; L470-L484 HydrophobicContact CD2-CD2 3.35Å; L470-L484 HydrophobicContact CD2-CG 3.55Å; L470-L484 HydrophobicContact CG-CD2 3.9Å
471	R	44.2	Very low	39.4	Very low	141 Å²	141	90.6 Å²	90.6	53%	0.532	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	144.7	167	-64.9	-164	-175.7	-147.7	-7.8	110.3	E469 W482 A483	E469-R471 VanDerWaalsContact CD-NE 3.33Å; E469-R471 HydrophobicContact CG-CG 3.89Å; E469-R471 IonicContact OE1-NE 3.58Å; E469-R471 IonicContact OE1-NH2 2.73Å; E469-R471 IonicContact OE2-CZ 3.58Å; E469-R471 IonicContact OE2-NE 2.64Å; E469-R471 PolarHBondContact OE2-NE 3.04Å; E469-R471 IonicContact OE2-NH2 3.75Å; E469-R471 PolarHBondContact OE2-NH2 3.34Å; R471-W482 VanDerWaalsContact C-CE3 3.42Å; R471-W482 WeakPolarHBondContact O-CA 3.49Å; R471-A483 PolarHBondContact N-O 3.36Å; R471-A483 PolarHBondContact O-N 2.55Å
472	K	42.5	Very low	39.2	Very low	85 Å²	85	85.4 Å²	85.4	37%	0.37	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	136.4	163.6	-162.2	178.6	-179.6	-174.4	0	109.3	E474 D480 W482	K472-E474 PolarHBondContact O-N 3.25Å; K472-D480 VanDerWaalsContact CE-CB 3.48Å; K472-D480 WeakPolarHBondContact CE-OD2 3.38Å; K472-D480 WeakPolarHBondContact CG-O 3.47Å; K472-D480 IonicContact NZ-OD2 3.74Å; K472-D480 PolarHBondContact NZ-OD2 2.94Å; K472-W482 HydrophobicContact CB-CD2 4.04Å; K472-W482 HydrophobicContact CB-CE3 4.31Å; K472-W482 HydrophobicContact CB-CH2 4.21Å; K472-W482 HydrophobicContact CB-CZ2 3.94Å; K472-W482 HydrophobicContact CB-CZ3 4.39Å; K472-W482 HydrophobicContact CD-CZ2 4.47Å; K472-W482 HydrophobicContact CG-CZ2 4.46Å; K472-W482 VanDerWaalsContact N-CE3 3.27Å
473	I	48.8	Very low	39.2	Very low	67 Å²	67	80.5 Å²	80.5	34%	0.344	46%	0.464	S	S	.	.			trans	-89.7	102.5	178.3	-60.4	174.4	0	0	0	109.2	S475 A481 A483	I473-S475 PolarHBondContact O-N 2.73Å; I473-A481 PolarHBondContact N-O 2.69Å; I473-A483 HydrophobicContact CD1-CB 3.71Å; I473-A483 HydrophobicContact CG1-CB 4.16Å
474	E	40	Very low	39	Very low	184 Å²	184	79.6 Å²	79.6	86%	0.86	46%	0.459	S	S	*	.			trans	-79.8	39.4	178.5	-61.3	-172.3	147.5	0	0	114.1	K472	K472-E474 PolarHBondContact O-N 3.25Å
475	S	36.8	Very low	39.2	Very low	94 Å²	94	84.5 Å²	84.5	66%	0.657	47%	0.472	S	S	*	.			trans	-177.9	113.9	162.7	58.9	0	0	0	0	113.9	I473	I473-S475 PolarHBondContact O-N 2.73Å
476	S	35.8	Very low	39.6	Very low	97 Å²	97	86.1 Å²	86.1	68%	0.678	49%	0.485	S	S	*	.	S	Bend		167	93.6	129.1	59.6	0	0	0	0	114.3	V478	S476-V478 PolarHBondContact O-N 2.62Å
477	A	39.5	Very low	39.7	Very low	119 Å²	119	81.3 Å²	81.3	98%	0.983	46%	0.463	S	S	*	.	S	Bend	trans	54.4	-14	158.8	0	0	0	0	0	120.9
478	V	33.2	Very low	39.2	Very low	130 Å²	130	85.2 Å²	85.2	79%	0.788	49%	0.486	S	S	*	.	S	Bend	trans	-133.1	134.4	175	-175.1	0	0	0	0	105.1	S476	S476-V478 PolarHBondContact O-N 2.62Å
479	G	30.8	Very low	38.7	Very low	61 Å²	61	85.7 Å²	85.7	63%	0.629	50%	0.496	S	S	*	.			trans	-63.5	139.5	-157.5	0	0	0	0	0	116	A481	G479-A481 PolarHBondContact O-N 2.7Å
480	D	34.7	Very low	38	Very low	100 Å²	100	89.1 Å²	89.1	54%	0.535	52%	0.523	S	S	.	.			trans	51	11.5	140.6	-75.4	25.2	0	0	0	121.3	K472	K472-D480 VanDerWaalsContact CE-CB 3.48Å; K472-D480 WeakPolarHBondContact CE-OD2 3.38Å; K472-D480 WeakPolarHBondContact CG-O 3.47Å; K472-D480 IonicContact NZ-OD2 3.74Å; K472-D480 PolarHBondContact NZ-OD2 2.94Å
481	A	36.3	Very low	37.5	Very low	41 Å²	41	96.1 Å²	96.1	34%	0.339	56%	0.559	S	S	.	*			trans	-56.4	143.3	-176.4	0	0	0	0	0	114.5	I473 G479	I473-A481 PolarHBondContact N-O 2.69Å; G479-A481 PolarHBondContact O-N 2.7Å
482	W	43.2	Very low	36.8	Very low	72 Å²	72	97.9 Å²	97.9	27%	0.273	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.7	143.5	171.6	-72.1	76	0	0	0	111.5	A292 D326 L470 R471 K472	A292-W482 HydrophobicContact CB-CD2 4.47Å; A292-W482 HydrophobicContact CB-CE3 4.18Å; A292-W482 HydrophobicContact CB-CH2 3.37Å; A292-W482 HydrophobicContact CB-CZ2 3.67Å; A292-W482 HydrophobicContact CB-CZ3 3.64Å; D326-W482 HydrophobicContact CB-CB 4.21Å; D326-W482 HydrophobicContact CB-CG 4.33Å; L470-W482 HydrophobicContact CB-CE3 4.1Å; R471-W482 VanDerWaalsContact C-CE3 3.42Å; R471-W482 WeakPolarHBondContact O-CA 3.49Å; K472-W482 HydrophobicContact CB-CD2 4.04Å; K472-W482 HydrophobicContact CB-CE3 4.31Å; K472-W482 HydrophobicContact CB-CH2 4.21Å; K472-W482 HydrophobicContact CB-CZ2 3.94Å; K472-W482 HydrophobicContact CB-CZ3 4.39Å; K472-W482 HydrophobicContact CD-CZ2 4.47Å; K472-W482 HydrophobicContact CG-CZ2 4.46Å; K472-W482 VanDerWaalsContact N-CE3 3.27Å
483	A	42.3	Very low	36	Very low	33 Å²	33	96.6 Å²	96.6	27%	0.273	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-143.6	149.1	176.6	0	0	0	0	0	113.6	L470 R471 I473	L470-A483 WeakPolarHBondContact CA-O 3.48Å; R471-A483 PolarHBondContact N-O 3.36Å; R471-A483 PolarHBondContact O-N 2.55Å; I473-A483 HydrophobicContact CD1-CB 3.71Å; I473-A483 HydrophobicContact CG1-CB 4.16Å
484	L	40	Very low	35	Very low	58 Å²	58	95 Å²	95	30%	0.304	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-70	129.9	169.7	-70.2	163.9	0	0	0	110.6	Y334 Q468 E469 L470	Y334-L484 HydrophobicContact CD2-CD2 4.16Å; Q468-L484 HydrophobicContact CB-CD2 4.22Å; E469-L484 CarbonylContact O-C 3.36Å; E469-L484 WeakPolarHBondContact O-CA 3.49Å; L470-L484 HydrophobicContact CD2-CB 4.45Å; L470-L484 HydrophobicContact CD2-CD2 3.35Å; L470-L484 HydrophobicContact CD2-CG 3.55Å; L470-L484 HydrophobicContact CG-CD2 3.9Å
485	R	41.3	Very low	34.4	Very low	174 Å²	174	93.8 Å²	93.8	66%	0.657	57%	0.571	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-128.8	142.8	163.4	-72.5	-167.7	176.5	-161.6	1.4	110.9	Q468 E469	Q468-R485 CarbonylContact C-O 3.49Å; Q468-R485 WeakPolarHBondContact CA-O 3.19Å; E469-R485 PolarHBondContact N-O 2.81Å; E469-R485 PolarHBondContact O-N 2.89Å
486	T	40.9	Very low	34.2	Very low	96 Å²	96	93.3 Å²	93.3	59%	0.589	56%	0.559	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-71.3	131.3	168.7	-49.6	0	0	0	0	109.7
487	I	37.5	Very low	34.1	Very low	36 Å²	36	88.9 Å²	88.9	19%	0.185	53%	0.53	C	S	.	.			trans	-77.5	137.8	173.2	-65.9	177.7	0	0	0	110.1	N465 G467 E469 S489	N465-I487 VanDerWaalsContact O-O 3.12Å; G467-I487 PolarHBondContact O-N 2.89Å; E469-I487 HydrophobicContact CB-CD1 3.93Å; E469-I487 HydrophobicContact CB-CG1 4.06Å; I487-S489 WeakPolarHBondContact CG2-OG 3.13Å
488	S	29.7	Very low	33.7	Very low	114 Å²	114	84.5 Å²	84.5	80%	0.797	49%	0.493	S	S	*	.			trans	-137.7	74.2	164.1	-75.5	0	0	0	0	109.2
489	S	33.2	Very low	33.7	Very low	70 Å²	70	79.1 Å²	79.1	49%	0.49	46%	0.461	S	S	.	.			trans	-152.1	122.9	179.3	60.9	0	0	0	0	111.9	I487 L491	I487-S489 WeakPolarHBondContact CG2-OG 3.13Å; S489-L491 PolarHBondContact O-N 2.82Å
490	S	26.9	Very low	33.9	Very low	97 Å²	97	77.2 Å²	77.2	68%	0.678	44%	0.436	S	S	*	.			trans	-80.9	112.5	-174.3	54.9	0	0	0	0	113.2
491	L	29.5	Very low	33.6	Very low	149 Å²	149	74 Å²	74	78%	0.78	42%	0.422	S	S	*	.			trans	-141.7	93.1	165	-93.9	114.8	0	0	0	113.2	S489	S489-L491 PolarHBondContact O-N 2.82Å
492	H	30.2	Very low	33.2	Very low	179 Å²	179	79.8 Å²	79.8	83%	0.829	44%	0.443	S	S	*	.			trans	52.1	67.3	143.6	-61.4	92.1	0	0	0	119.2
493	G	25.3	Very low	32.3	Very low	58 Å²	58	80.4 Å²	80.4	60%	0.598	46%	0.459	S	S	*	.				54.6	92.5	123	0	0	0	0	0	118.5	D464	D464-G493 WeakPolarHBondContact OD2-CA 3.39Å
494	G	27.5	Very low	31.5	Very low	32 Å²	32	86 Å²	86	33%	0.33	48%	0.483	S	S	.	.			trans	-168.5	126.6	165.1	0	0	0	0	0	110.5	M496	G494-M496 PolarHBondContact O-N 2.72Å
495	R	28.7	Very low	30.9	Very low	159 Å²	159	87.9 Å²	87.9	60%	0.6	51%	0.507	S	S	*	.			trans	-45.4	112.8	-173.7	-77.6	-174.7	172.4	-168.3	-3.3	111.8	S501	R495-S501 PolarHBondContact NH1-O 3.05Å; R495-S501 PolarHBondContact NH1-OG 3.24Å; R495-S501 PolarHBondContact NH2-OG 2.86Å
496	M	31.5	Very low	30	Very low	84 Å²	84	89.1 Å²	89.1	41%	0.414	52%	0.517	S	S	.	.			trans	-65.6	143.3	176.5	-64.2	-86.9	-161.4	0	0	111.2	G494	G494-M496 PolarHBondContact O-N 2.72Å
497	G	33.6	Very low	29.3	Very low	5 Å²	5	88.3 Å²	88.3	5%	0.052	53%	0.527	C	S	.	.	S	Bend	trans	70.7	176.2	177.9	0	0	0	0	0	115	P499	G497-P499 VanDerWaalsContact O-CD 3.3Å; G497-P499 WeakPolarHBondContact O-CD 3.11Å; G497-P499 VanDerWaalsContact O-N 3.14Å
498	A	31.1	Very low	28.9	Very low	27 Å²	27	91.1 Å²	91.1	22%	0.223	56%	0.556	C	S	.	*	S	Bend	trans	-62.6	113.4	165.8	0	0	0	0	0	107.8	F434 L500	F434-A498 HydrophobicContact CE1-CB 4.29Å; A498-L500 PolarHBondContact O-N 3.06Å
499	P	33	Very low	28.6	Very low	17 Å²	17	90.5 Å²	90.5	11%	0.11	55%	0.552	C	S	.	*			trans	-63.8	142.7	-170.1	25.6	-34.1	0	0	0	109.8	R441 G497	R441-P499 PolarHBondContact NH1-O 2.72Å; R441-P499 VanDerWaalsContact NH1-O 3.11Å; G497-P499 VanDerWaalsContact O-CD 3.3Å; G497-P499 WeakPolarHBondContact O-CD 3.11Å; G497-P499 VanDerWaalsContact O-N 3.14Å
500	L	35.1	Very low	28.3	Very low	20 Å²	20	97.2 Å²	97.2	11%	0.105	57%	0.566	C	S	.	*	S	Bend	trans	-61.2	-63.8	170.4	-65.1	-169.8	0	0	0	108.6	S432 R433 R441 I455 E456 V459 A498 M502	S432-L500 WeakPolarHBondContact O-CD2 3.32Å; R433-L500 HydrophobicContact CG-CD2 4.4Å; R441-L500 PolarHBondContact NH2-O 2.84Å; I455-L500 HydrophobicContact CG2-CD1 4.31Å; E456-L500 HydrophobicContact CB-CB 3.87Å; E456-L500 HydrophobicContact CB-CD1 4.36Å; E456-L500 HydrophobicContact CG-CB 3.66Å; E456-L500 HydrophobicContact CG-CD1 4.25Å; E456-L500 HydrophobicContact CG-CG 4.5Å; E456-L500 VanDerWaalsContact OE1-O 3.04Å; E456-L500 VanDerWaalsContact OE2-C 3.28Å; V459-L500 HydrophobicContact CG2-CD1 3.64Å; V459-L500 HydrophobicContact CG2-CG 4.48Å; A498-L500 PolarHBondContact O-N 3.06Å; L500-M502 PolarHBondContact O-N 2.8Å
501	S	30.1	Very low	28.4	Very low	33 Å²	33	101.3 Å²	101.3	23%	0.231	58%	0.575	C	S	.	*	S	Bend	trans	-67.3	121.6	179.8	109.2	0	0	0	0	113.2	E456 R495	E456-S501 VanDerWaalsContact OE2-CA 3.25Å; E456-S501 WeakPolarHBondContact OE2-CA 3.28Å; E456-S501 PolarHBondContact OE2-N 2.75Å; R495-S501 PolarHBondContact NH1-O 3.05Å; R495-S501 PolarHBondContact NH1-OG 3.24Å; R495-S501 PolarHBondContact NH2-OG 2.86Å
502	M	26.5	Very low	28.4	Very low	162 Å²	162	98 Å²	98	80%	0.798	58%	0.577	S	S	*	*			trans	-74.9	130	162	-69.9	-152.2	-64.9	0	0	110.3	L500	L500-M502 PolarHBondContact O-N 2.8Å
503	S	25.7	Very low	28.5	Very low	86 Å²	86	96.9 Å²	96.9	60%	0.601	57%	0.572	S	S	*	*			trans	-140.8	114.2	162.6	-64.6	0	0	0	0	108.4	A505	S503-A505 PolarHBondContact O-N 3.04Å
504	I	25.2	Very low	28.6	Very low	150 Å²	150	102.6 Å²	102.6	77%	0.769	58%	0.58	S	S	*	*			trans	-83.7	100.7	175.4	-60	174	0	0	0	106.9	K506	I504-K506 VanDerWaalsContact C-N 3.34Å; I504-K506 HydrophobicContact CG2-CG 4.44Å; I504-K506 PolarHBondContact O-N 2.87Å
505	A	26.2	Very low	28.8	Very low	98 Å²	98	105.5 Å²	105.5	81%	0.81	60%	0.595	S	S	*	*			trans	-74.7	84.6	177.6	0	0	0	0	0	110.7	S503 G507	S503-A505 PolarHBondContact O-N 3.04Å; A505-G507 PolarHBondContact O-N 3.5Å
506	K	23.8	Very low	29	Very low	200 Å²	200	104.6 Å²	104.6	87%	0.87	60%	0.602	S	S	*	*			trans	-68.1	81.1	164.3	-77.5	-171.4	173.6	-176.1	0	109.6	I504 A508	I504-K506 VanDerWaalsContact C-N 3.34Å; I504-K506 HydrophobicContact CG2-CG 4.44Å; I504-K506 PolarHBondContact O-N 2.87Å; K506-A508 PolarHBondContact O-N 3.14Å
507	G	26	Very low	28.9	Very low	78 Å²	78	109.8 Å²	109.8	80%	0.804	63%	0.626	S	S	*	*			trans	-91.5	83.4	-177	0	0	0	0	0	113.4	A505	A505-G507 PolarHBondContact O-N 3.5Å
508	A	28.2	Very low	28.8	Very low	96 Å²	96	113.5 Å²	113.5	79%	0.793	66%	0.663	S	S	*	*			trans	-86.9	119.8	173.3	0	0	0	0	0	112.1	K506	K506-A508 PolarHBondContact O-N 3.14Å
509	S	24.4	Very low	28.8	Very low	101 Å²	101	121.5 Å²	121.5	71%	0.706	69%	0.693	S	S	*	*			trans	49.6	121.5	146	-145.8	0	0	0	0	121.7
510	R	26.6	Very low	28.8	Very low	210 Å²	210	129.9 Å²	129.9	79%	0.792	73%	0.731	S	S	*	*			trans	80.6	116.2	146	-72.1	170.5	178.1	-173	-1.9	122.5
511	H	29.1	Very low	28.6	Very low	184 Å²	184	134.2 Å²	134.2	85%	0.852	76%	0.762	S	S	*	*			trans	68.8	133.2	133	-54.6	-27.6	0	0	0	121.1
512	G	29.8	Very low	28.8	Very low	80 Å²	80	138.1 Å²	138.1	83%	0.825	79%	0.79	S	S	*	*			trans	167.1	73.6	169.1	0	0	0	0	0	117.5
513	Q	30.5	Very low	29	Very low	154 Å²	154	135.4 Å²	135.4	72%	0.72	79%	0.787	S	S	*	*			trans	-20.2	143.1	171.6	-57.8	-175.5	11.5	0	0	121.9
514	K	28.8	Very low	29.4	Very low	179 Å²	179	136.8 Å²	136.8	78%	0.778	80%	0.797	S	S	*	*			trans	69.7	156.4	139.2	-71.7	168.1	-171.8	162.2	0	118.8
515	S	31	Very low	29.8	Very low	92 Å²	92	135 Å²	135	64%	0.643	80%	0.798	S	S	*	*			cis	-169.8	165.4	-9.4	44.3	0	0	0	0	112.3
516	N	32.7	Very low	29.9	Very low	140 Å²	140	133.8 Å²	133.8	75%	0.749	79%	0.794	S	S	*	*			trans	70.2	125.7	165.4	-62.9	-6.2	0	0	0	116.6
517	Q	30.1	Very low	30.4	Very low	194 Å²	194	131.7 Å²	131.7	91%	0.907	80%	0.797	S	S	*	*			cis	91.3	118.5	49.7	-80.9	-158.4	30.1	0	0	114.3
518	G	31.2	Very low	30.6	Very low	82 Å²	82	133.6 Å²	133.6	85%	0.845	80%	0.799	S	S	*	*			trans	-174.9	123.3	168.6	0	0	0	0	0	110.6
519	K	30.1	Very low	30.7	Very low	195 Å²	195	132 Å²	132	85%	0.848	79%	0.791	S	S	*	*			trans	-102.6	162.6	175.8	-64.2	175.3	177.7	176.4	0	109.7
520	H	34.3	Very low	31	Very low	194 Å²	194	135.8 Å²	135.8	90%	0.898	80%	0.8	S	S	*	*			trans	-169.5	167.2	130.6	-96.3	-60.6	0	0	0	110.8
521	S	30	Very low	31.4	Very low	110 Å²	110	130.7 Å²	130.7	77%	0.769	80%	0.797	S	S	*	*			trans	-163.6	129.6	-159.8	55	0	0	0	0	114.8
522	S	34.8	Very low	31.5	Very low	115 Å²	115	127.8 Å²	127.8	80%	0.804	80%	0.797	S	S	*	*			trans	179.5	140.5	165.2	48.1	0	0	0	0	109
523	S	31.1	Very low	31.5	Very low	105 Å²	105	127.9 Å²	127.9	73%	0.734	80%	0.798	S	S	*	*			cis	123.8	149.9	3.3	64.2	0	0	0	0	111.5
524	S	34.1	Very low	31.5	Very low	116 Å²	116	124.5 Å²	124.5	81%	0.811	80%	0.804	S	S	*	*			trans	80.1	153.9	174.1	82.8	0	0	0	0	117.7
525	S	32.1	Very low	31.4	Very low	113 Å²	113	119.8 Å²	119.8	79%	0.79	81%	0.807	S	S	*	*			cis	-176.5	149.2	-30	53.7	0	0	0	0	112.9
526	G	30.2	Very low	31.3	Very low	71 Å²	71	123.9 Å²	123.9	73%	0.732	82%	0.82	S	S	*	*			trans	85	163.4	163.4	0	0	0	0	0	116.2
527	V	33	Very low	31.1	Very low	156 Å²	156	125.1 Å²	125.1	95%	0.945	83%	0.826	S	S	*	*			cis	-148.8	178.5	-2	-123.8	0	0	0	0	111
528	S	29.8	Very low	31.4	Very low	119 Å²	119	121.3 Å²	121.3	83%	0.832	82%	0.818	S	S	*	*			trans	-130.1	154.2	-159.6	56.4	0	0	0	0	117.3
529	G	31	Very low	31.3	Very low	62 Å²	62	124.7 Å²	124.7	64%	0.639	82%	0.822	S	S	*	*			trans	-168.7	130.1	159.5	0	0	0	0	0	108.9
530	M	31.8	Very low	31.1	Very low	181 Å²	181	120 Å²	120	89%	0.892	82%	0.82	S	S	*	*				70.5	125.7	60.1	-62.7	179.1	72.6	0	0	111.8
531	S	34.1	Very low	30.9	Very low	102 Å²	102	115.7 Å²	115.7	71%	0.713	82%	0.818	S	S	*	*			cis	-149.5	170.5	25.9	-61.7	0	0	0	0	115.7
532	S	31	Very low	30.6	Very low	123 Å²	123	114 Å²	114	86%	0.86	82%	0.818	S	S	*	*			trans	-12.6	153.4	158	55.4	0	0	0	0	120.2
533	G	30.1	Very low	30.2	Very low	82 Å²	82	116.5 Å²	116.5	85%	0.845	82%	0.821	S	S	*	*			cis	164.9	178.3	6	0	0	0	0	0	109
534	G	29.5	Very low	29.9	Very low	83 Å²	83	120 Å²	120	86%	0.856	83%	0.826	S	S	*	*			cis	170.7	165.6	-3.9	0	0	0	0	0	111.1
535	G	27.7	Very low	29.4	Very low	80 Å²	80	121.4 Å²	121.4	83%	0.825	82%	0.824	S	S	*	*			trans	79.4	145	169.8	0	0	0	0	0	116.9
536	L	29.5	Very low	29	Very low	178 Å²	178	121.8 Å²	121.8	93%	0.932	82%	0.821	S	S	*	*			cis	-141.4	179.5	0.6	-92.9	167.7	0	0	0	111.3
537	L	27.1	Very low	28.8	Very low	167 Å²	167	124.2 Å²	124.2	87%	0.874	83%	0.827	S	S	*	*			trans	-101.7	163	-159.9	-75.8	169.2	0	0	0	116.1
538	P	36	Very low	28.5	Very low	114 Å²	114	122.1 Å²	122.1	74%	0.74	82%	0.819	S	S	*	*			trans	-96	170.7	-175.7	39.3	-37.1	0	0	0	114.5
539	V	29.9	Very low	28.3	Very low	152 Å²	152	120.4 Å²	120.4	92%	0.921	82%	0.82	S	S	*	*			trans	-139.4	148.2	166.7	-177.2	0	0	0	0	109.3
540	A	26.1	Very low	28.2	Very low	98 Å²	98	123.8 Å²	123.8	81%	0.81	83%	0.829	S	S	*	*			trans	-121.9	137.6	-177.8	0	0	0	0	0	113.2
541	A	29.3	Very low	27.9	Very low	103 Å²	103	120.7 Å²	120.7	85%	0.851	83%	0.825	S	S	*	*			trans	-161.7	145.9	156.1	0	0	0	0	0	107.5
542	G	24.7	Very low	27.4	Very low	74 Å²	74	121.2 Å²	121.2	76%	0.763	83%	0.827	S	S	*	*			cis	109.6	67.2	5.2	0	0	0	0	0	112.2
543	L	25.8	Very low	27.3	Very low	167 Å²	167	122.3 Å²	122.3	87%	0.874	82%	0.822	S	S	*	*			trans	-149.8	136.6	173.1	-108.3	167	0	0	0	111.1
544	Q	24.3	Very low	27.1	Very low	179 Å²	179	121.4 Å²	121.4	84%	0.836	81%	0.812	S	S	*	*			trans	-86	159.5	162.9	-60.3	163.4	-42.7	0	0	108.9
545	L	24.5	Very low	26.8	Very low	146 Å²	146	123.5 Å²	123.5	76%	0.764	81%	0.814	S	S	*	*			trans	170.5	102	148.2	-92	153.9	0	0	0	107.7
546	T	24	Very low	26.8	Very low	120 Å²	120	126 Å²	126	74%	0.736	81%	0.814	S	S	*	*				74.5	139.8	100.3	57.3	0	0	0	0	116.9
547	S	25.7	Very low	26.6	Very low	122 Å²	122	123.5 Å²	123.5	85%	0.853	81%	0.811	S	S	*	*			trans	-66.7	122.5	178.9	51.8	0	0	0	0	114.5
548	S	25.8	Very low	26.5	Very low	112 Å²	112	119.3 Å²	119.3	78%	0.783	81%	0.808	S	S	*	*			trans	-158	131.1	148.7	45.8	0	0	0	0	108.3
549	G	26.9	Very low	26.3	Very low	83 Å²	83	118.6 Å²	118.6	86%	0.856	81%	0.806	S	S	*	*			trans	-82.1	144.6	-173.6	0	0	0	0	0	113.4
550	T	28.3	Very low	27.1	Very low	133 Å²	133	114.6 Å²	114.6	82%	0.816	80%	0.795	S	S	*	*			trans	-130.5	122.3	165.2	-54.9	0	0	0	0	109.5
551	S	25.2	Very low	28.6	Very low	116 Å²	116	117.1 Å²	117.1	81%	0.811	79%	0.79	S	S	*	*			trans	-81.7	122.2	179.9	52.4	0	0	0	0	112.5
552	C	24.4	Very low	30.6	Very low	113 Å²	113	114.7 Å²	114.7	76%	0.764	76%	0.762	S	S	*	*			trans	-162.2	110.9	152.5	52.8	0	0	0	0	113
553	I	29.5	Very low	33.5	Very low	147 Å²	147	116.6 Å²	116.6	75%	0.754	75%	0.747	S	S	*	*	S	Bend	trans	-170.1	127.9	136.6	-96.1	151.7	0	0	0	108
554	G	25.9	Very low	36.5	Very low	62 Å²	62	114.5 Å²	114.5	64%	0.639	74%	0.736	S	S	*	*			trans	41.5	84.8	155.5	0	0	0	0	0	120.4	T556	G554-T556 VanDerWaalsContact C-N 3.33Å; G554-T556 PolarHBondContact O-N 3.12Å
555	S	22.6	Very low	39.5	Very low	127 Å²	127	106.8 Å²	106.8	89%	0.888	70%	0.7	S	S	*	*			trans	-72.5	83.1	157	-52.8	0	0	0	0	110.8
556	T	26.4	Very low	42.4	Very low	134 Å²	134	103.5 Å²	103.5	82%	0.822	69%	0.687	S	S	*	*			trans	-94.3	97.2	173.8	51.1	0	0	0	0	111.2	G554 G558	G554-T556 VanDerWaalsContact C-N 3.33Å; G554-T556 PolarHBondContact O-N 3.12Å; T556-G558 PolarHBondContact O-N 3.5Å
557	S	25.3	Very low	45.1	Very low	125 Å²	125	99.8 Å²	99.8	87%	0.874	67%	0.667	S	S	*	*			trans	-68.2	125.5	177.6	-51.7	0	0	0	0	112.3
558	G	26.6	Very low	47.7	Very low	79 Å²	79	100.5 Å²	100.5	81%	0.814	66%	0.661	S	S	*	*	S	Bend	trans	97.9	43.1	146.8	0	0	0	0	0	120	T556	T556-G558 PolarHBondContact O-N 3.5Å
559	S	30.6	Very low	50.4	Low	98 Å²	98	96 Å²	96	69%	0.685	63%	0.63	S	S	*	*			trans	-159.7	149.7	148.2	55.4	0	0	0	0	111.4	E561	S559-E561 PolarHBondContact O-N 3Å
560	G	47.5	Very low	53.1	Low	68 Å²	68	92.7 Å²	92.7	70%	0.701	59%	0.593	S	S	*	*			trans	-82.2	46.7	178.7	0	0	0	0	0	113.3
561	E	56.7	Low	55.6	Low	152 Å²	152	90.3 Å²	90.3	71%	0.71	58%	0.575	S	S	*	*			trans	-85.8	137.9	-173.4	-168.2	159.2	-149.1	0	0	112.2	S559 R563 M621	S559-E561 PolarHBondContact O-N 3Å; E561-R563 PolarHBondContact O-N 3.02Å; E561-M621 WeakPolarHBondContact O-CE 3.5Å
562	L	71.8	Confident	58.3	Low	51 Å²	51	87.6 Å²	87.6	27%	0.267	55%	0.551	S	S	.	*			trans	-70.4	123.8	-177.5	-83.8	158.3	0	0	0	110.9	L564 L614 A617 T618 M621 V634	L562-L564 PolarHBondContact O-N 2.91Å; L562-L614 HydrophobicContact CD1-CD2 4.05Å; L562-A617 HydrophobicContact CD2-CB 3.93Å; L562-T618 WeakPolarHBondContact CD2-OG1 3.4Å; L562-T618 WeakPolarHBondContact CG-OG1 3.33Å; L562-M621 HydrophobicContact CD2-SD 4.11Å; L562-V634 HydrophobicContact CD2-CG2 3.95Å
563	R	86.6	Confident	60.8	Low	115 Å²	115	84 Å²	84	43%	0.434	52%	0.524	S	S	.	.			trans	-73.2	99.6	177.5	-179	170.1	178.3	-147.5	8.7	109.9	E561 M621 Y632 G633 V634	E561-R563 PolarHBondContact O-N 3.02Å; R563-M621 HydrophobicContact CB-CE 3.62Å; R563-M621 HydrophobicContact CB-SD 4.02Å; R563-M621 PolarHBondContact N-SD 3.02Å; R563-M621 VanDerWaalsContact N-SD 3.37Å; R563-Y632 WeakPolarHBondContact CD-O 3.29Å; R563-Y632 PolarHBondContact NH1-O 3.25Å; R563-G633 CarbonylContact O-C 3.59Å; R563-G633 VanDerWaalsContact O-CA 3.26Å; R563-G633 WeakPolarHBondContact O-CA 3.37Å; R563-V634 PolarHBondContact O-N 2.93Å
564	L	88.4	Confident	62.8	Low	122 Å²	122	81.6 Å²	81.6	64%	0.639	51%	0.506	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	129.5	175.1	-66.3	174.3	0	0	0	111	L562 V634	L562-L564 PolarHBondContact O-N 2.91Å; L564-V634 CarbonylContact C-O 3.45Å; L564-V634 VanDerWaalsContact CA-O 3.28Å; L564-V634 WeakPolarHBondContact CA-O 3.48Å
565	I	87.3	Confident	65.5	Low	17 Å²	17	79.3 Å²	79.3	9%	0.087	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	130.7	174.9	-67.7	173.1	0	0	0	108.5	A569 V570 L589 V634 C635 I643	I565-A569 HydrophobicContact CG2-CB 4.26Å; I565-V570 HydrophobicContact CG2-CG2 3.67Å; I565-L589 HydrophobicContact CD1-CD1 4.34Å; I565-L589 HydrophobicContact CD1-CD2 4.45Å; I565-L589 HydrophobicContact CG2-CD1 3.7Å; I565-V634 PolarHBondContact N-O 3.24Å; I565-C635 HydrophobicContact CB-CB 4.39Å; I565-I643 HydrophobicContact CD1-CB 3.92Å; I565-I643 HydrophobicContact CD1-CG1 3.75Å; I565-I643 HydrophobicContact CD1-CG2 4.42Å
566	P	84.9	Confident	68	Low	77 Å²	77	76.9 Å²	76.9	50%	0.5	46%	0.455	S	S	.	.			trans	-57.6	136.3	175	-25.3	35.1	0	0	0	112.6	D568 A569	P566-D568 WeakPolarHBondContact CB-OD1 3.43Å; P566-D568 PolarHBondContact O-N 2.92Å; P566-A569 HydrophobicContact CB-CB 4.44Å; P566-A569 VanDerWaalsContact O-CB 3.31Å; P566-A569 WeakPolarHBondContact O-CB 3.31Å; P566-A569 PolarHBondContact O-N 2.96Å
567	S	80.1	Confident	70.2	Confident	43 Å²	43	71.1 Å²	71.1	30%	0.301	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-13.6	-171.1	70.8	0	0	0	0	115.6	C635 N637	S567-C635 WeakPolarHBondContact CA-SG 3.43Å; S567-C635 VanDerWaalsContact CB-SG 3.55Å; S567-N637 WeakPolarHBondContact CB-ND2 3.38Å; S567-N637 PolarHBondContact OG-ND2 3.43Å
568	D	80.1	Confident	72.5	Confident	136 Å²	136	70.2 Å²	70.2	73%	0.727	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-20.1	170.3	52.2	-27.9	0	0	0	112.8	P566 V570	P566-D568 WeakPolarHBondContact CB-OD1 3.43Å; P566-D568 PolarHBondContact O-N 2.92Å; D568-V570 VanDerWaalsContact C-N 3.3Å
569	A	83.5	Confident	74.3	Confident	17 Å²	17	67.7 Å²	67.7	14%	0.14	38%	0.377	C	S	.	.	S	Bend	trans	-74.1	-19.5	172.5	0	0	0	0	0	113.2	I565 P566 L589 H590	I565-A569 HydrophobicContact CG2-CB 4.26Å; P566-A569 HydrophobicContact CB-CB 4.44Å; P566-A569 VanDerWaalsContact O-CB 3.31Å; P566-A569 WeakPolarHBondContact O-CB 3.31Å; P566-A569 PolarHBondContact O-N 2.96Å; A569-L589 HydrophobicContact CB-CD1 4.32Å; A569-L589 WeakPolarHBondContact O-CA 3.42Å; A569-H590 PolarHBondContact O-N 2.74Å; A569-H590 PolarHBondContact O-ND1 3.19Å
570	V	83.2	Confident	76	Confident	14 Å²	14	67.2 Å²	67.2	9%	0.085	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	111.6	-173.7	-177.3	0	0	0	0	111.2	I565 D568 L589 V601 C635 I643	I565-V570 HydrophobicContact CG2-CG2 3.67Å; D568-V570 VanDerWaalsContact C-N 3.3Å; V570-L589 HydrophobicContact CG2-CD1 4.06Å; V570-V601 HydrophobicContact CG1-CG2 4.26Å; V570-C635 HydrophobicContact CG2-CB 4.3Å; V570-I643 HydrophobicContact CB-CD1 4.48Å; V570-I643 HydrophobicContact CG1-CD1 3.8Å; V570-I643 HydrophobicContact CG2-CD1 3.85Å; V570-I643 HydrophobicContact CG2-CG1 4.15Å
571	I	80.6	Confident	76.8	Confident	84 Å²	84	64.1 Å²	64.1	43%	0.431	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	119.5	170.2	-56.4	-174.9	0	0	0	109	L573 G587 R588	I571-L573 HydrophobicContact CG2-CD2 4.28Å; I571-G587 CarbonylContact O-C 3.58Å; I571-G587 WeakPolarHBondContact O-CA 3.33Å; I571-R588 HydrophobicContact CB-CB 4.45Å; I571-R588 PolarHBondContact N-O 3.04Å; I571-R588 PolarHBondContact O-N 3.4Å
572	L	81.5	Confident	77.4	Confident	59 Å²	59	57.1 Å²	57.1	31%	0.309	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	140.8	168.5	-67.4	174.1	0	0	0	110.4	Y585 V601 V603 M641	L572-Y585 HydrophobicContact CD2-CG 4.27Å; L572-V601 HydrophobicContact CD2-CB 3.74Å; L572-V601 HydrophobicContact CD2-CG1 3.61Å; L572-V601 HydrophobicContact CD2-CG2 4.12Å; L572-V603 HydrophobicContact CD2-CG2 4.41Å; L572-M641 HydrophobicContact CD1-SD 4.12Å; L572-M641 HydrophobicContact CD2-SD 4.27Å; L572-M641 HydrophobicContact CG-SD 4.44Å
573	L	76.5	Confident	77.9	Confident	36 Å²	36	54.9 Å²	54.9	19%	0.188	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	-139.5	171.9	-54	176.9	0	0	0	108.9	I571 Y585 R586 R588	I571-L573 HydrophobicContact CG2-CD2 4.28Å; L573-Y585 WeakPolarHBondContact O-CD1 3.48Å; L573-R586 WeakPolarHBondContact CA-O 3.42Å; L573-R586 HydrophobicContact CB-CB 4.37Å; L573-R586 WeakPolarHBondContact CB-O 3.43Å; L573-R586 HydrophobicContact CD1-CG 4.26Å; L573-R586 PolarHBondContact N-O 3.15Å; L573-R588 HydrophobicContact CD1-CG 4.25Å
574	Y	73.1	Confident	77.9	Confident	97 Å²	97	50.9 Å²	50.9	38%	0.38	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	154.1	179.1	58.1	-92.7	0	0	0	113.2	L576 Y585 R586	Y574-L576 HydrophobicContact CD2-CD2 4.37Å; Y574-L576 HydrophobicContact CE2-CD2 3.77Å; Y574-Y585 WeakPolarHBondContact O-CA 3.48Å; Y574-R586 HydrophobicContact CE1-CB 4.45Å; Y574-R586 HydrophobicContact CE2-CB 4.29Å; Y574-R586 PolarHBondContact O-N 2.93Å; Y574-R586 VanDerWaalsContact OH-CD 3.31Å; Y574-R586 WeakPolarHBondContact OH-CD 3.42Å
575	R	82.2	Confident	77.8	Confident	15 Å²	15	45.5 Å²	45.5	6%	0.057	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	131.9	174.3	-172.4	176.9	164.5	177.7	-15.6	110.4	V35 G577 E578 E583 V584 Y585	V35-R575 VanDerWaalsContact C-NH1 3.34Å; V35-R575 WeakPolarHBondContact O-CD 3.4Å; V35-R575 PolarHBondContact O-NH1 3.09Å; R575-G577 PolarHBondContact NE-O 2.98Å; R575-G577 PolarHBondContact NH2-O 3.05Å; R575-E578 IonicContact CZ-OE2 2.66Å; R575-E578 IonicContact NH1-OE2 2.74Å; R575-E578 PolarHBondContact NH1-OE2 3.47Å; R575-E578 VanDerWaalsContact NH2-CB 3.28Å; R575-E578 IonicContact NH2-OE2 3.7Å; R575-E578 PolarHBondContact NH2-OE2 3.24Å; R575-E583 IonicContact CZ-OE1 3.58Å; R575-E583 IonicContact NH1-OE1 2.92Å; R575-E583 PolarHBondContact NH1-OE1 2.68Å; R575-V584 CarbonylContact C-O 3.55Å; R575-V584 WeakPolarHBondContact CG-O 3.11Å; R575-Y585 HydrophobicContact CB-CD1 3.98Å; R575-Y585 HydrophobicContact CB-CE1 3.82Å; R575-Y585 HydrophobicContact CG-CE1 4.43Å
576	L	75	Confident	77.8	Confident	76 Å²	76	46 Å²	46	40%	0.398	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	-38.3	174.1	-69.1	170	0	0	0	112.3	Y574 V584 R586 L646	Y574-L576 HydrophobicContact CD2-CD2 4.37Å; Y574-L576 HydrophobicContact CE2-CD2 3.77Å; L576-V584 HydrophobicContact CB-CG1 4.36Å; L576-V584 HydrophobicContact CD1-CG1 4.36Å; L576-V584 PolarHBondContact N-O 2.86Å; L576-R586 HydrophobicContact CD1-CB 4.07Å; L576-R586 HydrophobicContact CD2-CB 4.32Å; L576-R586 HydrophobicContact CG-CB 4.15Å; L576-L646 HydrophobicContact CD1-CD1 3.81Å
577	G	73.4	Confident	77.8	Confident	13 Å²	13	42.3 Å²	42.3	13%	0.134	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178	-159.9	-174.2	0	0	0	0	0	114.8	R575 V584	R575-G577 PolarHBondContact NE-O 2.98Å; R575-G577 PolarHBondContact NH2-O 3.05Å; G577-V584 PolarHBondContact N-O 3.18Å; G577-V584 VanDerWaalsContact N-O 3.12Å; G577-V584 PolarHBondContact O-N 3.32Å
578	E	71.8	Confident	78.2	Confident	106 Å²	106	45.7 Å²	45.7	50%	0.495	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	149.2	169.7	-137	167.2	115	0	0	109.2	R575 G582	R575-E578 IonicContact CZ-OE2 2.66Å; R575-E578 IonicContact NH1-OE2 2.74Å; R575-E578 PolarHBondContact NH1-OE2 3.47Å; R575-E578 VanDerWaalsContact NH2-CB 3.28Å; R575-E578 IonicContact NH2-OE2 3.7Å; R575-E578 PolarHBondContact NH2-OE2 3.24Å; E578-G582 CarbonylContact C-O 3.57Å; E578-G582 WeakPolarHBondContact CA-O 3.42Å; E578-G582 WeakPolarHBondContact CG-O 3.46Å
579	G	66	Low	78.7	Confident	25 Å²	25	39.6 Å²	39.6	26%	0.258	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	-175.1	170.6	0	0	0	0	0	110.6	F581 G582	G579-F581 PolarHBondContact O-N 3.09Å; G579-G582 PolarHBondContact N-O 3.34Å; G579-G582 PolarHBondContact O-N 3.4Å; G579-G582 VanDerWaalsContact O-N 3.07Å
580	E	65.4	Low	78.9	Confident	88 Å²	88	42.3 Å²	42.3	41%	0.411	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-32.8	-167.6	-159.3	-158	156.3	0	0	114.9	Q609	E580-Q609 PolarHBondContact O-NE2 3.37Å
581	F	64.1	Low	79	Confident	3 Å²	3	44.4 Å²	44.4	1%	0.013	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-5	-173	-55.6	-88.7	0	0	0	115.1	G579 L604 V605 Q609 D612 F613 E616	G579-F581 PolarHBondContact O-N 3.09Å; F581-L604 HydrophobicContact CB-CD1 4.27Å; F581-V605 PolarHBondContact O-N 3.47Å; F581-V605 VanDerWaalsContact O-N 3.09Å; F581-Q609 HydrophobicContact CD1-CB 3.96Å; F581-D612 HydrophobicContact CE1-CB 3.88Å; F581-F613 HydrophobicContact CB-CD2 3.55Å; F581-F613 HydrophobicContact CB-CE2 4.14Å; F581-F613 HydrophobicContact CD1-CB 3.87Å; F581-F613 HydrophobicContact CD1-CD2 4.14Å; F581-F613 HydrophobicContact CD2-CD2 4.43Å; F581-F613 HydrophobicContact CE1-CB 4.32Å; F581-F613 HydrophobicContact CG-CB 4.38Å; F581-F613 AromaticContact CG-CD2 3.79Å; F581-F613 HydrophobicContact CG-CD2 3.79Å; F581-E616 WeakPolarHBondContact CD2-OE2 3.47Å; F581-E616 WeakPolarHBondContact CE2-OE2 3.44Å
582	G	70.4	Confident	78.9	Confident	6 Å²	6	48.5 Å²	48.5	6%	0.062	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	138.9	-150.9	-173.6	0	0	0	0	0	114.4	E578 G579	E578-G582 CarbonylContact C-O 3.57Å; E578-G582 WeakPolarHBondContact CA-O 3.42Å; E578-G582 WeakPolarHBondContact CG-O 3.46Å; G579-G582 PolarHBondContact N-O 3.34Å; G579-G582 PolarHBondContact O-N 3.4Å; G579-G582 VanDerWaalsContact O-N 3.07Å
583	E	82.7	Confident	79	Confident	3 Å²	3	50.5 Å²	50.5	1%	0.014	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	146.1	-164.3	-59.3	-178.6	140.9	0	0	112.5	V35 R575 Y585 K602 V603 V605	V35-E583 VanDerWaalsContact CA-OE1 3.28Å; V35-E583 WeakPolarHBondContact CA-OE1 3.41Å; V35-E583 VanDerWaalsContact CB-OE1 3.32Å; V35-E583 WeakPolarHBondContact CB-OE1 3.31Å; V35-E583 PolarHBondContact N-OE1 3.35Å; R575-E583 IonicContact CZ-OE1 3.58Å; R575-E583 IonicContact NH1-OE1 2.92Å; R575-E583 PolarHBondContact NH1-OE1 2.68Å; E583-Y585 HydrophobicContact CB-CD2 4.12Å; E583-Y585 HydrophobicContact CB-CE2 3.49Å; E583-Y585 VanDerWaalsContact CB-CE2 3.49Å; E583-Y585 HydrophobicContact CG-CE2 4.42Å; E583-Y585 WeakPolarHBondContact OE2-CE2 3.44Å; E583-Y585 PolarHBondContact OE2-OH 2.93Å; E583-K602 CarbonylContact O-C 3.56Å; E583-V603 PolarHBondContact N-O 3.02Å; E583-V603 PolarHBondContact O-N 3.22Å; E583-V605 HydrophobicContact CG-CG2 3.83Å
584	V	85	Confident	79.1	Confident	31 Å²	31	51.9 Å²	51.9	19%	0.188	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	132.1	171.4	-172.4	0	0	0	0	108.9	R575 L576 G577 A600 V601 K602	R575-V584 CarbonylContact C-O 3.55Å; R575-V584 WeakPolarHBondContact CG-O 3.11Å; L576-V584 HydrophobicContact CB-CG1 4.36Å; L576-V584 HydrophobicContact CD1-CG1 4.36Å; L576-V584 PolarHBondContact N-O 2.86Å; G577-V584 PolarHBondContact N-O 3.18Å; G577-V584 VanDerWaalsContact N-O 3.12Å; G577-V584 PolarHBondContact O-N 3.32Å; V584-A600 HydrophobicContact CG1-CB 4.39Å; V584-V601 CarbonylContact C-O 3.52Å; V584-V601 WeakPolarHBondContact CA-O 3.39Å; V584-K602 HydrophobicContact CG2-CG 4.27Å
585	Y	86.2	Confident	79.7	Confident	10 Å²	10	51.6 Å²	51.6	4%	0.039	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	153.3	178.6	-69.6	-101.9	0	0	0	110.9	L572 L573 Y574 R575 E583 A600 V601 V603	L572-Y585 HydrophobicContact CD2-CG 4.27Å; L573-Y585 WeakPolarHBondContact O-CD1 3.48Å; Y574-Y585 WeakPolarHBondContact O-CA 3.48Å; R575-Y585 HydrophobicContact CB-CD1 3.98Å; R575-Y585 HydrophobicContact CB-CE1 3.82Å; R575-Y585 HydrophobicContact CG-CE1 4.43Å; E583-Y585 HydrophobicContact CB-CD2 4.12Å; E583-Y585 HydrophobicContact CB-CE2 3.49Å; E583-Y585 VanDerWaalsContact CB-CE2 3.49Å; E583-Y585 HydrophobicContact CG-CE2 4.42Å; E583-Y585 WeakPolarHBondContact OE2-CE2 3.44Å; E583-Y585 PolarHBondContact OE2-OH 2.93Å; Y585-A600 CarbonylContact O-C 3.51Å; Y585-A600 WeakPolarHBondContact O-CA 3.42Å; Y585-V601 PolarHBondContact N-O 3.12Å; Y585-V601 PolarHBondContact O-N 3.33Å; Y585-V603 HydrophobicContact CD2-CB 4.49Å; Y585-V603 HydrophobicContact CD2-CG2 3.71Å; Y585-V603 HydrophobicContact CE2-CB 4.45Å; Y585-V603 HydrophobicContact CE2-CG2 4.03Å
586	R	88.1	Confident	79.9	Confident	27 Å²	27	54.4 Å²	54.4	10%	0.102	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	146.5	158.7	-165.8	-178.1	-173.1	104.6	4.1	107.2	L573 Y574 L576 E598 L646 E648	L573-R586 WeakPolarHBondContact CA-O 3.42Å; L573-R586 HydrophobicContact CB-CB 4.37Å; L573-R586 WeakPolarHBondContact CB-O 3.43Å; L573-R586 HydrophobicContact CD1-CG 4.26Å; L573-R586 PolarHBondContact N-O 3.15Å; Y574-R586 HydrophobicContact CE1-CB 4.45Å; Y574-R586 HydrophobicContact CE2-CB 4.29Å; Y574-R586 PolarHBondContact O-N 2.93Å; Y574-R586 VanDerWaalsContact OH-CD 3.31Å; Y574-R586 WeakPolarHBondContact OH-CD 3.42Å; L576-R586 HydrophobicContact CD1-CB 4.07Å; L576-R586 HydrophobicContact CD2-CB 4.32Å; L576-R586 HydrophobicContact CG-CB 4.15Å; R586-E598 IonicContact CZ-OE1 2.69Å; R586-E598 IonicContact CZ-OE2 3.69Å; R586-E598 IonicContact NE-OE1 2.68Å; R586-E598 PolarHBondContact NE-OE1 2.85Å; R586-E598 IonicContact NE-OE2 2.64Å; R586-E598 IonicContact NH2-OE1 3.58Å; R586-E598 IonicContact NH2-OE2 3.61Å; R586-E598 PolarHBondContact NH2-OE2 3Å; R586-L646 HydrophobicContact CG-CD2 3.95Å; R586-L646 VanDerWaalsContact CZ-CD2 3.43Å; R586-E648 IonicContact CZ-OE1 3.89Å; R586-E648 IonicContact CZ-OE2 3.66Å; R586-E648 IonicContact NH1-OE1 3.16Å; R586-E648 IonicContact NH1-OE2 3.49Å; R586-E648 PolarHBondContact NH1-OE2 2.85Å; R586-E648 IonicContact NH2-OE1 2.74Å; R586-E648 PolarHBondContact NH2-OE1 3.01Å; R586-E648 IonicContact NH2-OE2 2.81Å; R586-E648 PolarHBondContact NH2-OE2 3.35Å
587	G	85.3	Confident	80.6	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	174.6	177.9	0	0	0	0	0	112.8	I571 E598 V599	I571-G587 CarbonylContact O-C 3.58Å; I571-G587 WeakPolarHBondContact O-CA 3.33Å; G587-E598 WeakPolarHBondContact O-CA 3.4Å; G587-V599 VanDerWaalsContact C-CG2 3.48Å; G587-V599 PolarHBondContact N-O 2.92Å; G587-V599 WeakPolarHBondContact O-CG2 3.46Å; G587-V599 PolarHBondContact O-N 2.81Å
588	R	88.5	Confident	81.5	Confident	114 Å²	114	56.5 Å²	56.5	43%	0.43	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	122.3	171.3	-75.4	174.4	-178.6	-177.3	-0.9	109.7	I571 L573 V596 Q597 E598	I571-R588 HydrophobicContact CB-CB 4.45Å; I571-R588 PolarHBondContact N-O 3.04Å; I571-R588 PolarHBondContact O-N 3.4Å; L573-R588 HydrophobicContact CD1-CG 4.25Å; R588-V596 HydrophobicContact CB-CG1 3.82Å; R588-V596 HydrophobicContact CG-CG1 4.01Å; R588-Q597 WeakPolarHBondContact CA-O 3.36Å; R588-E598 HydrophobicContact CG-CG 4.2Å; R588-E598 IonicContact NE-OE1 3.84Å; R588-E598 IonicContact NH2-OE1 2.64Å
589	L	91.1	Very high	82.5	Confident	7 Å²	7	51.5 Å²	51.5	4%	0.037	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	121.6	172.7	176.2	63.1	0	0	0	108.8	I565 A569 V570 L591 V596 Q597 V599 Y632 I643	I565-L589 HydrophobicContact CD1-CD1 4.34Å; I565-L589 HydrophobicContact CD1-CD2 4.45Å; I565-L589 HydrophobicContact CG2-CD1 3.7Å; A569-L589 HydrophobicContact CB-CD1 4.32Å; A569-L589 WeakPolarHBondContact O-CA 3.42Å; V570-L589 HydrophobicContact CG2-CD1 4.06Å; L589-L591 HydrophobicContact CD2-CD2 3.76Å; L589-L591 HydrophobicContact CG-CD2 3.93Å; L589-V596 WeakPolarHBondContact O-CA 3.49Å; L589-Q597 PolarHBondContact N-O 3.24Å; L589-Q597 PolarHBondContact O-N 3.49Å; L589-V599 HydrophobicContact CB-CG1 3.72Å; L589-V599 HydrophobicContact CB-CG2 4.18Å; L589-V599 HydrophobicContact CD2-CG1 4.38Å; L589-Y632 HydrophobicContact CD2-CD2 4.37Å; L589-Y632 HydrophobicContact CD2-CG 4.33Å; L589-I643 HydrophobicContact CD2-CG2 4.2Å
590	H	87.5	Confident	83.9	Confident	75 Å²	75	50.8 Å²	50.8	35%	0.347	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	122.7	171.9	-59.9	72.2	0	0	0	108.1	A569	A569-H590 PolarHBondContact O-N 2.74Å; A569-H590 PolarHBondContact O-ND1 3.19Å
591	L	85.3	Confident	85.1	Confident	58 Å²	58	46.6 Å²	46.6	30%	0.304	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-96.9	153.3	178.5	-62	174.9	0	0	0	110.3	L589 N593 G594 I595	L589-L591 HydrophobicContact CD2-CD2 3.76Å; L589-L591 HydrophobicContact CG-CD2 3.93Å; L591-N593 VanDerWaalsContact CB-OD1 3.26Å; L591-N593 WeakPolarHBondContact CB-OD1 3.35Å; L591-N593 PolarHBondContact O-N 3.27Å; L591-G594 PolarHBondContact O-N 3.11Å; L591-I595 HydrophobicContact CD1-CB 4.41Å; L591-I595 PolarHBondContact N-O 2.67Å
592	D	78.5	Confident	86.3	Confident	169 Å²	169	46.9 Å²	46.9	90%	0.904	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-18.6	-176.4	-49.7	-61.3	0	0	0	113.8	G594	D592-G594 VanDerWaalsContact C-N 3.3Å
593	N	83.2	Confident	87.2	Confident	101 Å²	101	46.6 Å²	46.6	54%	0.54	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	5.6	175	65.4	5.2	0	0	0	113.9	L591 I595	L591-N593 VanDerWaalsContact CB-OD1 3.26Å; L591-N593 WeakPolarHBondContact CB-OD1 3.35Å; L591-N593 PolarHBondContact O-N 3.27Å; N593-I595 VanDerWaalsContact C-N 3.32Å; N593-I595 PolarHBondContact O-N 3.36Å; N593-I595 WeakPolarHBondContact OD1-CB 3.42Å; N593-I595 WeakPolarHBondContact OD1-CG1 3.44Å; N593-I595 PolarHBondContact OD1-N 2.56Å
594	G	79	Confident	87.3	Confident	65 Å²	65	47.1 Å²	47.1	67%	0.67	25%	0.253	S	S	*	.	S	Bend	trans	81.3	0.9	-179.3	0	0	0	0	0	115.2	L591 D592	L591-G594 PolarHBondContact O-N 3.11Å; D592-G594 VanDerWaalsContact C-N 3.3Å
595	I	85.1	Confident	86.8	Confident	92 Å²	92	47.5 Å²	47.5	47%	0.472	26%	0.255	S	S	.	.			trans	-77.3	132.8	175.6	-60.4	179.7	0	0	0	109.6	L591 N593	L591-I595 HydrophobicContact CD1-CB 4.41Å; L591-I595 PolarHBondContact N-O 2.67Å; N593-I595 VanDerWaalsContact C-N 3.32Å; N593-I595 PolarHBondContact O-N 3.36Å; N593-I595 WeakPolarHBondContact OD1-CB 3.42Å; N593-I595 WeakPolarHBondContact OD1-CG1 3.44Å; N593-I595 PolarHBondContact OD1-N 2.56Å
596	V	85.7	Confident	86.2	Confident	73 Å²	73	51.9 Å²	51.9	44%	0.442	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	109.5	171.5	-172.8	0	0	0	0	108.6	R588 L589	R588-V596 HydrophobicContact CB-CG1 3.82Å; R588-V596 HydrophobicContact CG-CG1 4.01Å; L589-V596 WeakPolarHBondContact O-CA 3.49Å
597	Q	89.5	Confident	85.7	Confident	79 Å²	79	56 Å²	56	37%	0.369	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	133.3	178.4	179.7	55.9	58.1	0	0	109.8	R588 L589 V599	R588-Q597 WeakPolarHBondContact CA-O 3.36Å; L589-Q597 PolarHBondContact N-O 3.24Å; L589-Q597 PolarHBondContact O-N 3.49Å; Q597-V599 HydrophobicContact CG-CG1 4.03Å
598	E	92.3	Very high	85.2	Confident	55 Å²	55	60.6 Å²	60.6	26%	0.257	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	136.4	167.8	-65.5	-155	105.2	0	0	110.5	R586 G587 R588 L646	R586-E598 IonicContact CZ-OE1 2.69Å; R586-E598 IonicContact CZ-OE2 3.69Å; R586-E598 IonicContact NE-OE1 2.68Å; R586-E598 PolarHBondContact NE-OE1 2.85Å; R586-E598 IonicContact NE-OE2 2.64Å; R586-E598 IonicContact NH2-OE1 3.58Å; R586-E598 IonicContact NH2-OE2 3.61Å; R586-E598 PolarHBondContact NH2-OE2 3Å; G587-E598 WeakPolarHBondContact O-CA 3.4Å; R588-E598 HydrophobicContact CG-CG 4.2Å; R588-E598 IonicContact NE-OE1 3.84Å; R588-E598 IonicContact NH2-OE1 2.64Å; E598-L646 HydrophobicContact CB-CD2 4.07Å
599	V	94.1	Very high	84.7	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	156.5	-166.9	-65.1	0	0	0	0	110.9	G587 L589 Q597 V601 Y632 I643 L644	G587-V599 VanDerWaalsContact C-CG2 3.48Å; G587-V599 PolarHBondContact N-O 2.92Å; G587-V599 WeakPolarHBondContact O-CG2 3.46Å; G587-V599 PolarHBondContact O-N 2.81Å; L589-V599 HydrophobicContact CB-CG1 3.72Å; L589-V599 HydrophobicContact CB-CG2 4.18Å; L589-V599 HydrophobicContact CD2-CG1 4.38Å; Q597-V599 HydrophobicContact CG-CG1 4.03Å; V599-V601 HydrophobicContact CG2-CG2 3.89Å; V599-Y632 HydrophobicContact CG1-CD2 3.86Å; V599-Y632 HydrophobicContact CG1-CE2 3.72Å; V599-I643 HydrophobicContact CB-CG2 3.96Å; V599-I643 HydrophobicContact CG1-CG2 4.03Å; V599-I643 HydrophobicContact CG2-CG2 3.91Å; V599-L644 WeakPolarHBondContact CA-O 3.36Å; V599-L644 WeakPolarHBondContact CB-O 3.45Å
600	A	94.2	Very high	84.4	Confident	11 Å²	11	60.8 Å²	60.8	9%	0.091	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	138.4	162.1	0	0	0	0	0	109.1	V584 Y585 L644 L646	V584-A600 HydrophobicContact CG1-CB 4.39Å; Y585-A600 CarbonylContact O-C 3.51Å; Y585-A600 WeakPolarHBondContact O-CA 3.42Å; A600-L644 HydrophobicContact CB-CB 4.21Å; A600-L644 PolarHBondContact N-O 3.25Å; A600-L644 PolarHBondContact O-N 2.82Å; A600-L646 HydrophobicContact CB-CD1 4.05Å
601	V	90.4	Very high	84.1	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	105.4	-179	-173.8	0	0	0	0	109.5	V570 L572 V584 Y585 V599 V603 M641 M642 I643	V570-V601 HydrophobicContact CG1-CG2 4.26Å; L572-V601 HydrophobicContact CD2-CB 3.74Å; L572-V601 HydrophobicContact CD2-CG1 3.61Å; L572-V601 HydrophobicContact CD2-CG2 4.12Å; V584-V601 CarbonylContact C-O 3.52Å; V584-V601 WeakPolarHBondContact CA-O 3.39Å; Y585-V601 PolarHBondContact N-O 3.12Å; Y585-V601 PolarHBondContact O-N 3.33Å; V599-V601 HydrophobicContact CG2-CG2 3.89Å; V601-V603 HydrophobicContact CG1-CG2 4.04Å; V601-M641 HydrophobicContact CG1-CB 3.88Å; V601-M641 HydrophobicContact CG1-CG 4.31Å; V601-M641 HydrophobicContact CG1-SD 4.07Å; V601-M642 WeakPolarHBondContact CA-O 3.46Å; V601-I643 HydrophobicContact CG1-CD1 3.81Å; V601-I643 HydrophobicContact CG2-CD1 4.07Å
602	K	90.9	Very high	83.7	Confident	8 Å²	8	62.3 Å²	62.3	4%	0.035	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	119	175.3	-164.6	179.4	-165.8	-172.5	0	107.2	E583 V584 F613 E616 M641 M642 L644 D709	E583-K602 CarbonylContact O-C 3.56Å; V584-K602 HydrophobicContact CG2-CG 4.27Å; K602-F613 HydrophobicContact CG-CE2 4.35Å; K602-F613 WeakPolarHBondContact O-CZ 3.46Å; K602-E616 IonicContact NZ-OE1 3.35Å; K602-E616 PolarHBondContact NZ-OE1 3.33Å; K602-E616 IonicContact NZ-OE2 3Å; K602-E616 PolarHBondContact NZ-OE2 3.09Å; K602-M641 CarbonylContact O-C 3.57Å; K602-M641 WeakPolarHBondContact O-CA 3.34Å; K602-M642 HydrophobicContact CB-CB 4.25Å; K602-M642 HydrophobicContact CD-CE 4.06Å; K602-M642 PolarHBondContact N-O 3.05Å; K602-M642 PolarHBondContact O-N 2.94Å; K602-L644 HydrophobicContact CB-CD1 4.19Å; K602-L644 HydrophobicContact CD-CD1 4.49Å; K602-D709 IonicContact NZ-OD1 2.75Å; K602-D709 PolarHBondContact NZ-OD1 3.16Å
603	V	87.8	Confident	83.9	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.006	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124.3	-171.9	-177.6	0	0	0	0	109.6	L572 E583 Y585 V601 V605 R639 M641	L572-V603 HydrophobicContact CD2-CG2 4.41Å; E583-V603 PolarHBondContact N-O 3.02Å; E583-V603 PolarHBondContact O-N 3.22Å; Y585-V603 HydrophobicContact CD2-CB 4.49Å; Y585-V603 HydrophobicContact CD2-CG2 3.71Å; Y585-V603 HydrophobicContact CE2-CB 4.45Å; Y585-V603 HydrophobicContact CE2-CG2 4.03Å; V601-V603 HydrophobicContact CG1-CG2 4.04Å; V603-V605 PolarHBondContact O-N 2.88Å; V603-R639 HydrophobicContact CG1-CB 4.1Å; V603-M641 HydrophobicContact CB-CG 4.48Å; V603-M641 HydrophobicContact CG1-CG 4.23Å; V603-M641 HydrophobicContact CG2-CG 4.05Å; V603-M641 HydrophobicContact CG2-SD 4.14Å
604	L	85.3	Confident	84.1	Confident	14 Å²	14	51.1 Å²	51.1	7%	0.073	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	118.4	176.4	-178	68.7	0	0	0	110.5	F581 Q606 Q609 R610 F613 L640	F581-L604 HydrophobicContact CB-CD1 4.27Å; L604-Q606 WeakPolarHBondContact CD1-O 3.5Å; L604-Q609 HydrophobicContact CD1-CB 4.02Å; L604-R610 HydrophobicContact CD2-CB 3.74Å; L604-R610 HydrophobicContact CD2-CG 4.11Å; L604-F613 HydrophobicContact CB-CD1 4.48Å; L604-F613 HydrophobicContact CB-CD2 4.11Å; L604-F613 HydrophobicContact CB-CE1 4.39Å; L604-F613 HydrophobicContact CB-CE2 3.96Å; L604-F613 HydrophobicContact CB-CG 4.34Å; L604-F613 HydrophobicContact CB-CZ 4.1Å; L604-F613 HydrophobicContact CD1-CB 4.01Å; L604-F613 HydrophobicContact CD1-CD2 3.9Å; L604-F613 HydrophobicContact CD1-CG 4.04Å; L604-L640 HydrophobicContact CB-CB 4.2Å; L604-L640 WeakPolarHBondContact CB-O 3.43Å; L604-L640 HydrophobicContact CD2-CB 4.21Å; L604-L640 HydrophobicContact CD2-CD2 4.18Å; L604-L640 PolarHBondContact N-O 3.22Å
605	V	75.2	Confident	84.2	Confident	39 Å²	39	52.4 Å²	52.4	24%	0.236	28%	0.277	C	S	.	.			trans	-89.6	-44.7	175.6	168.4	0	0	0	0	111.5	V34 F581 E583 V603 P607	V34-V605 HydrophobicContact CG2-CG1 4.05Å; F581-V605 PolarHBondContact O-N 3.47Å; F581-V605 VanDerWaalsContact O-N 3.09Å; E583-V605 HydrophobicContact CG-CG2 3.83Å; V603-V605 PolarHBondContact O-N 2.88Å; V605-P607 WeakPolarHBondContact O-CD 3.49Å
606	Q	74.1	Confident	84.1	Confident	102 Å²	102	48.2 Å²	48.2	48%	0.477	26%	0.256	S	S	.	.			trans	-100.4	115.7	-173.8	-51.2	-173.5	34.9	0	0	111.2	L604 S608 Q609	L604-Q606 WeakPolarHBondContact CD1-O 3.5Å; Q606-S608 PolarHBondContact O-N 2.93Å; Q606-S608 VanDerWaalsContact O-N 3.09Å; Q606-Q609 HydrophobicContact CB-CG 4.22Å; Q606-Q609 VanDerWaalsContact CD-OE1 3.25Å; Q606-Q609 PolarHBondContact O-N 2.82Å
607	P	76.3	Confident	84.1	Confident	114 Å²	114	44.7 Å²	44.7	74%	0.74	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-58.4	-26.8	179.4	-26.6	35.8	0	0	0	114.1	V605 Q609 R610	V605-P607 WeakPolarHBondContact O-CD 3.49Å; P607-Q609 VanDerWaalsContact C-N 3.29Å; P607-Q609 PolarHBondContact O-N 2.95Å; P607-R610 VanDerWaalsContact O-CB 3.32Å; P607-R610 WeakPolarHBondContact O-CB 3.49Å; P607-R610 PolarHBondContact O-N 2.79Å
608	S	75.9	Confident	83.9	Confident	96 Å²	96	42.9 Å²	42.9	67%	0.671	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-60.8	-31.1	174.2	42.1	0	0	0	0	113.9	Q606	Q606-S608 PolarHBondContact O-N 2.93Å; Q606-S608 VanDerWaalsContact O-N 3.09Å
609	Q	77.5	Confident	83.4	Confident	32 Å²	32	41.4 Å²	41.4	15%	0.15	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-88	-0.7	-179	-62.8	175.8	-79.7	0	0	113.2	E580 F581 L604 Q606 P607 L611 D612 F613	E580-Q609 PolarHBondContact O-NE2 3.37Å; F581-Q609 HydrophobicContact CD1-CB 3.96Å; L604-Q609 HydrophobicContact CD1-CB 4.02Å; Q606-Q609 HydrophobicContact CB-CG 4.22Å; Q606-Q609 VanDerWaalsContact CD-OE1 3.25Å; Q606-Q609 PolarHBondContact O-N 2.82Å; P607-Q609 VanDerWaalsContact C-N 3.29Å; P607-Q609 PolarHBondContact O-N 2.95Å; Q609-L611 VanDerWaalsContact C-N 3.27Å; Q609-L611 PolarHBondContact O-N 2.85Å; Q609-L611 VanDerWaalsContact O-N 3.13Å; Q609-D612 PolarHBondContact O-N 3.03Å; Q609-F613 PolarHBondContact O-N 3.48Å
610	R	84	Confident	83	Confident	93 Å²	93	41.6 Å²	41.6	35%	0.351	22%	0.223	S	C	.	.	H	α-helix	trans	-50.1	-43	-174.5	-176.7	-172.6	174.2	99.4	2.5	113.9	L604 P607 D612 L614 E636 L640	L604-R610 HydrophobicContact CD2-CB 3.74Å; L604-R610 HydrophobicContact CD2-CG 4.11Å; P607-R610 VanDerWaalsContact O-CB 3.32Å; P607-R610 WeakPolarHBondContact O-CB 3.49Å; P607-R610 PolarHBondContact O-N 2.79Å; R610-D612 VanDerWaalsContact C-N 3.33Å; R610-D612 PolarHBondContact O-N 3.04Å; R610-L614 HydrophobicContact CG-CD1 4.19Å; R610-L614 WeakPolarHBondContact O-CG 3.12Å; R610-L614 PolarHBondContact O-N 2.85Å; R610-E636 IonicContact CZ-OE1 2.86Å; R610-E636 VanDerWaalsContact CZ-OE1 3.3Å; R610-E636 IonicContact CZ-OE2 2.7Å; R610-E636 IonicContact NH1-OE1 2.7Å; R610-E636 PolarHBondContact NH1-OE1 2.79Å; R610-E636 IonicContact NH1-OE2 3.02Å; R610-E636 VanDerWaalsContact NH2-CD 3.29Å; R610-E636 IonicContact NH2-OE1 3.66Å; R610-E636 PolarHBondContact NH2-OE1 3.12Å; R610-E636 IonicContact NH2-OE2 3.91Å; R610-E636 PolarHBondContact NH2-OE2 2.91Å; R610-L640 HydrophobicContact CG-CD2 3.86Å
611	L	82.2	Confident	82.7	Confident	116 Å²	116	44.3 Å²	44.3	61%	0.607	24%	0.235	S	C	*	.	H	α-helix	trans	-69.4	-32.1	-176	180	60.8	0	0	0	112.3	Q609 K615	Q609-L611 VanDerWaalsContact C-N 3.27Å; Q609-L611 PolarHBondContact O-N 2.85Å; Q609-L611 VanDerWaalsContact O-N 3.13Å; L611-K615 WeakPolarHBondContact O-CE 3.33Å; L611-K615 WeakPolarHBondContact O-CG 3.41Å; L611-K615 PolarHBondContact O-N 2.86Å
612	D	76.7	Confident	82.4	Confident	49 Å²	49	50 Å²	50	26%	0.262	26%	0.262	S	S	.	.	H	α-helix	trans	-83.8	-35.9	179.2	-63.8	-49.6	0	0	0	110.9	F581 Q609 R610 L614 K615 E616	F581-D612 HydrophobicContact CE1-CB 3.88Å; Q609-D612 PolarHBondContact O-N 3.03Å; R610-D612 VanDerWaalsContact C-N 3.33Å; R610-D612 PolarHBondContact O-N 3.04Å; D612-L614 VanDerWaalsContact C-N 3.32Å; D612-L614 PolarHBondContact O-N 3.26Å; D612-K615 WeakPolarHBondContact O-CB 3.2Å; D612-K615 PolarHBondContact O-N 2.88Å; D612-K615 IonicContact OD1-NZ 3.56Å; D612-K615 PolarHBondContact OD1-NZ 3.06Å; D612-E616 PolarHBondContact O-N 2.94Å
613	F	82.1	Confident	82.2	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-55.7	-42.8	168.3	-173.6	-89.7	0	0	0	112.7	F581 K602 L604 Q609 E616 A617 L640 M642	F581-F613 HydrophobicContact CB-CD2 3.55Å; F581-F613 HydrophobicContact CB-CE2 4.14Å; F581-F613 HydrophobicContact CD1-CB 3.87Å; F581-F613 HydrophobicContact CD1-CD2 4.14Å; F581-F613 HydrophobicContact CD2-CD2 4.43Å; F581-F613 HydrophobicContact CE1-CB 4.32Å; F581-F613 HydrophobicContact CG-CB 4.38Å; F581-F613 AromaticContact CG-CD2 3.79Å; F581-F613 HydrophobicContact CG-CD2 3.79Å; K602-F613 HydrophobicContact CG-CE2 4.35Å; K602-F613 WeakPolarHBondContact O-CZ 3.46Å; L604-F613 HydrophobicContact CB-CD1 4.48Å; L604-F613 HydrophobicContact CB-CD2 4.11Å; L604-F613 HydrophobicContact CB-CE1 4.39Å; L604-F613 HydrophobicContact CB-CE2 3.96Å; L604-F613 HydrophobicContact CB-CG 4.34Å; L604-F613 HydrophobicContact CB-CZ 4.1Å; L604-F613 HydrophobicContact CD1-CB 4.01Å; L604-F613 HydrophobicContact CD1-CD2 3.9Å; L604-F613 HydrophobicContact CD1-CG 4.04Å; Q609-F613 PolarHBondContact O-N 3.48Å; F613-E616 PolarHBondContact O-N 2.99Å; F613-A617 PolarHBondContact O-N 3.34Å; F613-A617 VanDerWaalsContact O-N 3.15Å; F613-L640 HydrophobicContact CD1-CD2 3.62Å; F613-L640 HydrophobicContact CD1-CG 4.03Å; F613-L640 HydrophobicContact CE1-CB 4.48Å; F613-L640 HydrophobicContact CE1-CD2 3.92Å; F613-L640 HydrophobicContact CE1-CG 3.77Å; F613-M642 HydrophobicContact CD1-CE 3.78Å; F613-M642 HydrophobicContact CD2-CE 3.4Å; F613-M642 VanDerWaalsContact CD2-CE 3.4Å; F613-M642 HydrophobicContact CE1-CB 4.47Å; F613-M642 HydrophobicContact CE1-CE 3.73Å; F613-M642 HydrophobicContact CE1-CG 3.86Å; F613-M642 HydrophobicContact CE2-CE 3.4Å; F613-M642 HydrophobicContact CG-CE 3.64Å; F613-M642 HydrophobicContact CZ-CB 4.19Å; F613-M642 HydrophobicContact CZ-CE 3.57Å; F613-M642 HydrophobicContact CZ-CG 4Å; F613-M642 WeakPolarHBondContact O-CE 3.47Å
614	L	86.8	Confident	82.3	Confident	35 Å²	35	54.7 Å²	54.7	18%	0.183	30%	0.295	C	S	.	.	H	α-helix	trans	-72.6	-26.3	175.7	-72.8	174.4	0	0	0	113.2	L562 R610 D612 T618 V634 L640	L562-L614 HydrophobicContact CD1-CD2 4.05Å; R610-L614 HydrophobicContact CG-CD1 4.19Å; R610-L614 WeakPolarHBondContact O-CG 3.12Å; R610-L614 PolarHBondContact O-N 2.85Å; D612-L614 VanDerWaalsContact C-N 3.32Å; D612-L614 PolarHBondContact O-N 3.26Å; L614-T618 WeakPolarHBondContact O-CB 3.17Å; L614-T618 PolarHBondContact O-N 3.22Å; L614-T618 VanDerWaalsContact O-N 3.07Å; L614-T618 PolarHBondContact O-OG1 2.86Å; L614-V634 HydrophobicContact CD2-CG1 4.2Å; L614-L640 HydrophobicContact CD1-CD2 4.29Å; L614-L640 HydrophobicContact CD2-CD1 4.45Å; L614-L640 HydrophobicContact CD2-CD2 3.85Å; L614-L640 HydrophobicContact CG-CD2 3.89Å
615	K	82	Confident	82.8	Confident	91 Å²	91	55.9 Å²	55.9	40%	0.396	30%	0.3	S	S	.	.	H	α-helix	trans	-69.5	-44.6	171.4	-72.4	165.5	-158.1	156.6	0	110.9	L611 D612 A617 T618 I619	L611-K615 WeakPolarHBondContact O-CE 3.33Å; L611-K615 WeakPolarHBondContact O-CG 3.41Å; L611-K615 PolarHBondContact O-N 2.86Å; D612-K615 WeakPolarHBondContact O-CB 3.2Å; D612-K615 PolarHBondContact O-N 2.88Å; D612-K615 IonicContact OD1-NZ 3.56Å; D612-K615 PolarHBondContact OD1-NZ 3.06Å; K615-A617 VanDerWaalsContact C-N 3.31Å; K615-A617 PolarHBondContact O-N 3.33Å; K615-T618 PolarHBondContact O-N 2.84Å; K615-I619 WeakPolarHBondContact O-CB 3.39Å; K615-I619 VanDerWaalsContact O-CG1 3.26Å; K615-I619 WeakPolarHBondContact O-CG1 3.37Å; K615-I619 PolarHBondContact O-N 3.49Å
616	E	82.7	Confident	83.7	Confident	4 Å²	4	58 Å²	58	2%	0.019	31%	0.314	C	S	.	.	H	α-helix	trans	-55.2	-49.8	174.8	-172	-174.5	-173.3	0	0	110.2	F581 K602 D612 F613 T618 I619 M620 M642 F710	F581-E616 WeakPolarHBondContact CD2-OE2 3.47Å; F581-E616 WeakPolarHBondContact CE2-OE2 3.44Å; K602-E616 IonicContact NZ-OE1 3.35Å; K602-E616 PolarHBondContact NZ-OE1 3.33Å; K602-E616 IonicContact NZ-OE2 3Å; K602-E616 PolarHBondContact NZ-OE2 3.09Å; D612-E616 PolarHBondContact O-N 2.94Å; F613-E616 PolarHBondContact O-N 2.99Å; E616-T618 PolarHBondContact O-N 3.15Å; E616-I619 PolarHBondContact O-N 3.04Å; E616-M620 HydrophobicContact CG-CG 4.33Å; E616-M620 HydrophobicContact CG-SD 3.94Å; E616-M620 WeakPolarHBondContact O-CG 3.2Å; E616-M620 PolarHBondContact O-N 2.83Å; E616-M642 HydrophobicContact CB-CE 4.27Å; E616-M642 HydrophobicContact CG-CE 4.46Å; E616-M642 WeakPolarHBondContact OE2-CE 3.28Å; E616-F710 HydrophobicContact CG-CB 3.97Å; E616-F710 PolarHBondContact OE1-N 3.36Å
617	A	86.6	Confident	84.8	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-56.4	-49.8	176.8	0	0	0	0	0	113.2	L562 F613 K615 I619 M620 M621 I631 V634 M642	L562-A617 HydrophobicContact CD2-CB 3.93Å; F613-A617 PolarHBondContact O-N 3.34Å; F613-A617 VanDerWaalsContact O-N 3.15Å; K615-A617 VanDerWaalsContact C-N 3.31Å; K615-A617 PolarHBondContact O-N 3.33Å; A617-I619 VanDerWaalsContact C-N 3.29Å; A617-I619 PolarHBondContact O-N 3.48Å; A617-M620 PolarHBondContact O-N 2.93Å; A617-M621 WeakPolarHBondContact O-CB 3.49Å; A617-M621 WeakPolarHBondContact O-CG 3.48Å; A617-M621 PolarHBondContact O-N 3.13Å; A617-I631 HydrophobicContact CB-CD1 3.93Å; A617-V634 HydrophobicContact CB-CG2 3.5Å; A617-V634 VanDerWaalsContact CB-CG2 3.5Å; A617-M642 HydrophobicContact CB-CG 3.86Å; A617-M642 HydrophobicContact CB-SD 3.65Å
618	T	85.4	Confident	85.7	Confident	41 Å²	41	49.2 Å²	49.2	25%	0.252	26%	0.263	S	S	.	.	H	α-helix	trans	-64.6	-31.9	179.3	-61.6	0	0	0	0	112.6	L562 L614 K615 E616 Q622	L562-T618 WeakPolarHBondContact CD2-OG1 3.4Å; L562-T618 WeakPolarHBondContact CG-OG1 3.33Å; L614-T618 WeakPolarHBondContact O-CB 3.17Å; L614-T618 PolarHBondContact O-N 3.22Å; L614-T618 VanDerWaalsContact O-N 3.07Å; L614-T618 PolarHBondContact O-OG1 2.86Å; K615-T618 PolarHBondContact O-N 2.84Å; E616-T618 PolarHBondContact O-N 3.15Å; T618-Q622 PolarHBondContact O-NE2 2.89Å
619	I	81.2	Confident	86.6	Confident	24 Å²	24	44.9 Å²	44.9	12%	0.123	23%	0.233	C	C	.	.	H	α-helix	trans	-69.4	-55.9	173.5	-73.4	169.4	0	0	0	109.7	K615 E616 A617 M621 Q622 L623 F687	K615-I619 WeakPolarHBondContact O-CB 3.39Å; K615-I619 VanDerWaalsContact O-CG1 3.26Å; K615-I619 WeakPolarHBondContact O-CG1 3.37Å; K615-I619 PolarHBondContact O-N 3.49Å; E616-I619 PolarHBondContact O-N 3.04Å; A617-I619 VanDerWaalsContact C-N 3.29Å; A617-I619 PolarHBondContact O-N 3.48Å; I619-M621 PolarHBondContact O-N 3.48Å; I619-Q622 WeakPolarHBondContact O-CB 3.45Å; I619-Q622 PolarHBondContact O-N 3.42Å; I619-L623 HydrophobicContact CG2-CD1 4.07Å; I619-F687 HydrophobicContact CB-CE1 4.12Å; I619-F687 HydrophobicContact CB-CZ 4.37Å; I619-F687 HydrophobicContact CD1-CE1 4.07Å; I619-F687 HydrophobicContact CG1-CE1 3.76Å; I619-F687 HydrophobicContact CG1-CZ 4.08Å; I619-F687 HydrophobicContact CG2-CD1 3.97Å; I619-F687 HydrophobicContact CG2-CE1 3.39Å; I619-F687 HydrophobicContact CG2-CZ 3.86Å
620	M	85.9	Confident	87.3	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.02	24%	0.239	C	C	.	.	H	α-helix	trans	-58.8	-33.3	-178.2	-68.6	-176.8	73.7	0	0	112.3	E616 A617 Q622 L623 V629 I631 L644 F710	E616-M620 HydrophobicContact CG-CG 4.33Å; E616-M620 HydrophobicContact CG-SD 3.94Å; E616-M620 WeakPolarHBondContact O-CG 3.2Å; E616-M620 PolarHBondContact O-N 2.83Å; A617-M620 PolarHBondContact O-N 2.93Å; M620-Q622 PolarHBondContact O-N 3.07Å; M620-Q622 VanDerWaalsContact O-N 3.15Å; M620-L623 PolarHBondContact O-N 3.09Å; M620-V629 HydrophobicContact CE-CB 4.28Å; M620-V629 HydrophobicContact CE-CG1 4.13Å; M620-V629 WeakPolarHBondContact CE-O 3.48Å; M620-I631 HydrophobicContact CB-CB 4.1Å; M620-I631 HydrophobicContact CB-CG2 3.59Å; M620-L644 HydrophobicContact CE-CD2 3.78Å; M620-L644 HydrophobicContact SD-CD2 4.29Å; M620-F710 HydrophobicContact CE-CD2 3.97Å; M620-F710 HydrophobicContact CE-CE2 4.25Å; M620-F710 HydrophobicContact CG-CB 4.04Å; M620-F710 HydrophobicContact CG-CD2 3.62Å; M620-F710 HydrophobicContact CG-CE2 4.36Å; M620-F710 HydrophobicContact CG-CG 4Å; M620-F710 HydrophobicContact SD-CB 4.47Å; M620-F710 HydrophobicContact SD-CD2 3.86Å
621	M	86.9	Confident	87.7	Confident	68 Å²	68	41.9 Å²	41.9	34%	0.335	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-17	176.6	-85.3	-171.3	56.2	0	0	114.4	E561 L562 R563 A617 I619 I631	E561-M621 WeakPolarHBondContact O-CE 3.5Å; L562-M621 HydrophobicContact CD2-SD 4.11Å; R563-M621 HydrophobicContact CB-CE 3.62Å; R563-M621 HydrophobicContact CB-SD 4.02Å; R563-M621 PolarHBondContact N-SD 3.02Å; R563-M621 VanDerWaalsContact N-SD 3.37Å; A617-M621 WeakPolarHBondContact O-CB 3.49Å; A617-M621 WeakPolarHBondContact O-CG 3.48Å; A617-M621 PolarHBondContact O-N 3.13Å; I619-M621 PolarHBondContact O-N 3.48Å; M621-I631 HydrophobicContact CB-CG2 4.17Å; M621-I631 HydrophobicContact CG-CG2 3.61Å; M621-I631 VanDerWaalsContact N-CG2 3.29Å
622	Q	84.8	Confident	88.1	Confident	119 Å²	119	39.2 Å²	39.2	56%	0.556	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-6.9	177.2	-63.2	168.5	46.5	0	0	112.5	T618 I619 M620	T618-Q622 PolarHBondContact O-NE2 2.89Å; I619-Q622 WeakPolarHBondContact O-CB 3.45Å; I619-Q622 PolarHBondContact O-N 3.42Å; M620-Q622 PolarHBondContact O-N 3.07Å; M620-Q622 VanDerWaalsContact O-N 3.15Å
623	L	87.9	Confident	88.8	Confident	9 Å²	9	36.9 Å²	36.9	5%	0.047	20%	0.196	C	C	.	.			trans	-107.7	117.4	-172.6	-56.7	175.4	0	0	0	109.9	I619 M620 I628 F681 L682 F687 F710	I619-L623 HydrophobicContact CG2-CD1 4.07Å; M620-L623 PolarHBondContact O-N 3.09Å; L623-I628 HydrophobicContact CB-CG2 4.36Å; L623-F681 HydrophobicContact CB-CE1 4.34Å; L623-F681 HydrophobicContact CD2-CE1 3.97Å; L623-L682 HydrophobicContact CD1-CD2 3.77Å; L623-L682 HydrophobicContact CD2-CD2 3.82Å; L623-L682 HydrophobicContact CG-CD2 4.4Å; L623-F687 HydrophobicContact CD2-CD2 3.98Å; L623-F687 HydrophobicContact CD2-CE2 4.31Å; L623-F687 HydrophobicContact CD2-CG 4.49Å; L623-F710 HydrophobicContact CD1-CD1 4.02Å; L623-F710 HydrophobicContact CD1-CE1 3.64Å; L623-F710 HydrophobicContact CD1-CZ 3.98Å
624	S	89.8	Confident	89.3	Confident	99 Å²	99	37 Å²	37	69%	0.692	20%	0.196	S	C	*	.			trans	-134.7	103.6	178.8	-173.8	0	0	0	0	109.7
625	H	94.7	Very high	89.3	Confident	39 Å²	39	35.3 Å²	35.3	18%	0.181	19%	0.188	C	C	.	.			trans	-155.2	142.5	-175.6	-172.7	-104.7	0	0	0	110.2	H627 I628 S677 F681	H625-H627 AromaticContact CE1-CD2 3.95Å; H625-H627 PolarHBondContact ND1-N 2.91Å; H625-H627 PolarHBondContact O-N 3.37Å; H625-I628 HydrophobicContact CB-CB 4.25Å; H625-I628 HydrophobicContact CB-CD1 3.93Å; H625-I628 HydrophobicContact CB-CG1 4.07Å; H625-I628 PolarHBondContact O-N 2.8Å; H625-I628 VanDerWaalsContact O-N 3.1Å; H625-S677 PolarHBondContact CE1-OG 2.95Å; H625-S677 VanDerWaalsContact CE1-OG 3.26Å; H625-F681 HydrophobicContact CB-CB 4.47Å; H625-F681 HydrophobicContact CB-CD1 3.84Å; H625-F681 HydrophobicContact CB-CD2 4.29Å; H625-F681 HydrophobicContact CB-CE1 4.1Å; H625-F681 HydrophobicContact CB-CG 3.93Å; H625-F681 HydrophobicContact CB-CZ 4.44Å; H625-F681 AromaticContact CD2-CD2 3.88Å; H625-F681 AromaticContact CD2-CG 3.81Å; H625-F681 AromaticContact CG-CG 3.87Å
626	P	95	Very high	89.4	Confident	82 Å²	82	35.3 Å²	35.3	53%	0.532	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-30.6	-177.6	-28.6	36.8	0	0	0	114.7	K706	P626-K706 WeakPolarHBondContact O-CE 3.26Å; P626-K706 PolarHBondContact O-NZ 3.31Å
627	H	96.8	Very high	88.8	Confident	30 Å²	30	39.5 Å²	39.5	14%	0.139	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	26	-178.1	-57.2	-57.7	0	0	0	114.1	H625 Q674 A705 K706 I707	H625-H627 AromaticContact CE1-CD2 3.95Å; H625-H627 PolarHBondContact ND1-N 2.91Å; H625-H627 PolarHBondContact O-N 3.37Å; H627-Q674 VanDerWaalsContact CB-O 3.29Å; H627-Q674 WeakPolarHBondContact CB-O 3.44Å; H627-Q674 WeakPolarHBondContact CE1-CG 3.48Å; H627-A705 PolarHBondContact ND1-O 3.39Å; H627-K706 WeakPolarHBondContact O-CA 3.28Å; H627-I707 PolarHBondContact O-N 3.09Å
628	I	95.2	Very high	88.1	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.01	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-126.3	145.4	170.3	-65.9	178.5	0	0	0	108.4	L623 H625 T630 F681 L682 I707 F710	L623-I628 HydrophobicContact CB-CG2 4.36Å; H625-I628 HydrophobicContact CB-CB 4.25Å; H625-I628 HydrophobicContact CB-CD1 3.93Å; H625-I628 HydrophobicContact CB-CG1 4.07Å; H625-I628 PolarHBondContact O-N 2.8Å; H625-I628 VanDerWaalsContact O-N 3.1Å; I628-T630 PolarHBondContact O-N 2.82Å; I628-F681 HydrophobicContact CD1-CD1 3.55Å; I628-F681 HydrophobicContact CD1-CE1 4Å; I628-L682 HydrophobicContact CD1-CD1 4.35Å; I628-L682 HydrophobicContact CD1-CD2 3.87Å; I628-L682 HydrophobicContact CD1-CG 3.9Å; I628-I707 HydrophobicContact CG1-CB 4.48Å; I628-F710 HydrophobicContact CG2-CE2 3.9Å; I628-F710 HydrophobicContact CG2-CZ 3.74Å
629	V	94	Very high	87.8	Confident	5 Å²	5	52.7 Å²	52.7	3%	0.03	26%	0.262	C	S	.	.			trans	-71.3	113	174.6	171.6	0	0	0	0	110	M620 L644 E645 L698 K706 I707	M620-V629 HydrophobicContact CE-CB 4.28Å; M620-V629 HydrophobicContact CE-CG1 4.13Å; M620-V629 WeakPolarHBondContact CE-O 3.48Å; V629-L644 HydrophobicContact CG1-CB 4.27Å; V629-E645 HydrophobicContact CG1-CG 4.06Å; V629-L698 HydrophobicContact CG2-CD1 4.11Å; V629-K706 HydrophobicContact CG2-CB 3.85Å; V629-I707 PolarHBondContact N-O 3.16Å
630	T	92.6	Very high	88.1	Confident	46 Å²	46	51.9 Å²	51.9	28%	0.282	26%	0.258	S	S	.	.			trans	-68.8	134.8	178.1	-49	0	0	0	0	111.1	I628 Y632 L644 E645	I628-T630 PolarHBondContact O-N 2.82Å; T630-Y632 HydrophobicContact CG2-CE1 4.42Å; T630-L644 WeakPolarHBondContact O-CA 3.48Å; T630-E645 WeakPolarHBondContact CB-OE1 3.47Å; T630-E645 PolarHBondContact N-OE1 2.85Å; T630-E645 PolarHBondContact O-N 3.01Å; T630-E645 PolarHBondContact OG1-OE1 2.86Å
631	I	92.7	Very high	88.4	Confident	16 Å²	16	52.5 Å²	52.5	8%	0.082	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	131.9	166.4	-175.2	168.2	0	0	0	110.1	A617 M620 M621 M642 L644	A617-I631 HydrophobicContact CB-CD1 3.93Å; M620-I631 HydrophobicContact CB-CB 4.1Å; M620-I631 HydrophobicContact CB-CG2 3.59Å; M621-I631 HydrophobicContact CB-CG2 4.17Å; M621-I631 HydrophobicContact CG-CG2 3.61Å; M621-I631 VanDerWaalsContact N-CG2 3.29Å; I631-M642 HydrophobicContact CD1-CB 4.31Å; I631-M642 HydrophobicContact CD1-CG 3.87Å; I631-M642 HydrophobicContact CD1-SD 3.99Å; I631-L644 HydrophobicContact CB-CD2 3.75Å; I631-L644 HydrophobicContact CD1-CD2 4.24Å; I631-L644 HydrophobicContact CG1-CD2 3.88Å
632	Y	91.2	Very high	88.6	Confident	61 Å²	61	49.2 Å²	49.2	24%	0.239	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-29.2	175.4	-59.6	-58.9	0	0	0	112.5	R563 L589 V599 T630 I643 E645	R563-Y632 WeakPolarHBondContact CD-O 3.29Å; R563-Y632 PolarHBondContact NH1-O 3.25Å; L589-Y632 HydrophobicContact CD2-CD2 4.37Å; L589-Y632 HydrophobicContact CD2-CG 4.33Å; V599-Y632 HydrophobicContact CG1-CD2 3.86Å; V599-Y632 HydrophobicContact CG1-CE2 3.72Å; T630-Y632 HydrophobicContact CG2-CE1 4.42Å; Y632-I643 HydrophobicContact CD2-CG2 4.28Å; Y632-I643 PolarHBondContact N-O 2.77Å; Y632-E645 HydrophobicContact CE2-CB 4.08Å; Y632-E645 WeakPolarHBondContact OH-CB 3.35Å
633	G	91.5	Very high	89	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.2	-170.1	176.2	0	0	0	0	0	113.3	R563 I643	R563-G633 CarbonylContact O-C 3.59Å; R563-G633 VanDerWaalsContact O-CA 3.26Å; R563-G633 WeakPolarHBondContact O-CA 3.37Å; G633-I643 PolarHBondContact O-N 3.31Å
634	V	92.3	Very high	89.3	Confident	1 Å²	1	44 Å²	44	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	136.9	176.6	176	0	0	0	0	109.4	L562 R563 L564 I565 L614 A617 L640 M641 M642	L562-V634 HydrophobicContact CD2-CG2 3.95Å; R563-V634 PolarHBondContact O-N 2.93Å; L564-V634 CarbonylContact C-O 3.45Å; L564-V634 VanDerWaalsContact CA-O 3.28Å; L564-V634 WeakPolarHBondContact CA-O 3.48Å; I565-V634 PolarHBondContact N-O 3.24Å; L614-V634 HydrophobicContact CD2-CG1 4.2Å; A617-V634 HydrophobicContact CB-CG2 3.5Å; A617-V634 VanDerWaalsContact CB-CG2 3.5Å; V634-L640 HydrophobicContact CG1-CD1 3.62Å; V634-L640 HydrophobicContact CG1-CG 4.34Å; V634-M641 CarbonylContact C-O 3.6Å; V634-M641 WeakPolarHBondContact CA-O 3.4Å; V634-M641 WeakPolarHBondContact CG1-O 3.28Å; V634-M642 HydrophobicContact CG2-CG 4.14Å
635	C	86.9	Confident	89.5	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	136.9	174.3	169.9	0	0	0	0	109.8	I565 S567 V570 M641 I643	I565-C635 HydrophobicContact CB-CB 4.39Å; S567-C635 WeakPolarHBondContact CA-SG 3.43Å; S567-C635 VanDerWaalsContact CB-SG 3.55Å; V570-C635 HydrophobicContact CG2-CB 4.3Å; C635-M641 HydrophobicContact CB-CB 4.36Å; C635-M641 HydrophobicContact CB-CE 4.11Å; C635-M641 PolarHBondContact N-O 2.92Å; C635-M641 PolarHBondContact O-N 2.87Å; C635-M641 WeakPolarHBondContact SG-CE 3.3Å; C635-I643 HydrophobicContact CB-CD1 4.1Å; C635-I643 HydrophobicContact CB-CG1 4.3Å
636	E	82.6	Confident	89.4	Confident	92 Å²	92	39.9 Å²	39.9	43%	0.43	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	130.7	174.1	-176.7	153.9	-154.2	0	0	112	R610 L640	R610-E636 IonicContact CZ-OE1 2.86Å; R610-E636 VanDerWaalsContact CZ-OE1 3.3Å; R610-E636 IonicContact CZ-OE2 2.7Å; R610-E636 IonicContact NH1-OE1 2.7Å; R610-E636 PolarHBondContact NH1-OE1 2.79Å; R610-E636 IonicContact NH1-OE2 3.02Å; R610-E636 VanDerWaalsContact NH2-CD 3.29Å; R610-E636 IonicContact NH2-OE1 3.66Å; R610-E636 PolarHBondContact NH2-OE1 3.12Å; R610-E636 IonicContact NH2-OE2 3.91Å; R610-E636 PolarHBondContact NH2-OE2 2.91Å; E636-L640 HydrophobicContact CB-CD1 3.84Å; E636-L640 HydrophobicContact CG-CD1 4.18Å
637	N	70.4	Confident	89.3	Confident	92 Å²	92	36.7 Å²	36.7	49%	0.492	17%	0.172	S	C	.	.	S	Bend	trans	-149.1	-137.3	169.3	-167	-43.5	0	0	0	106.3	S567 R639	S567-N637 WeakPolarHBondContact CB-ND2 3.38Å; S567-N637 PolarHBondContact OG-ND2 3.43Å; N637-R639 PolarHBondContact N-O 3.06Å; N637-R639 VanDerWaalsContact N-O 3.07Å; N637-R639 PolarHBondContact O-N 3Å
638	K	72.6	Confident	89.1	Confident	204 Å²	204	40.1 Å²	40.1	89%	0.887	19%	0.188	S	C	*	.	S	Bend	trans	-54.6	-19.8	171.6	-66.8	177.6	-177.5	177.9	0	114.2
639	R	79.2	Confident	88.8	Confident	113 Å²	113	42.7 Å²	42.7	43%	0.426	20%	0.202	S	C	.	.	S	Bend	trans	-137.1	157.5	169.9	-70.8	-169.6	-81.3	-133	2.6	109.5	V603 N637	V603-R639 HydrophobicContact CG1-CB 4.1Å; N637-R639 PolarHBondContact N-O 3.06Å; N637-R639 VanDerWaalsContact N-O 3.07Å; N637-R639 PolarHBondContact O-N 3Å
640	L	87.7	Confident	88.6	Confident	7 Å²	7	44.1 Å²	44.1	4%	0.037	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	136.8	175.1	-173.9	69.1	0	0	0	109.6	L604 R610 F613 L614 V634 E636	L604-L640 HydrophobicContact CB-CB 4.2Å; L604-L640 WeakPolarHBondContact CB-O 3.43Å; L604-L640 HydrophobicContact CD2-CB 4.21Å; L604-L640 HydrophobicContact CD2-CD2 4.18Å; L604-L640 PolarHBondContact N-O 3.22Å; R610-L640 HydrophobicContact CG-CD2 3.86Å; F613-L640 HydrophobicContact CD1-CD2 3.62Å; F613-L640 HydrophobicContact CD1-CG 4.03Å; F613-L640 HydrophobicContact CE1-CB 4.48Å; F613-L640 HydrophobicContact CE1-CD2 3.92Å; F613-L640 HydrophobicContact CE1-CG 3.77Å; L614-L640 HydrophobicContact CD1-CD2 4.29Å; L614-L640 HydrophobicContact CD2-CD1 4.45Å; L614-L640 HydrophobicContact CD2-CD2 3.85Å; L614-L640 HydrophobicContact CG-CD2 3.89Å; V634-L640 HydrophobicContact CG1-CD1 3.62Å; V634-L640 HydrophobicContact CG1-CG 4.34Å; E636-L640 HydrophobicContact CB-CD1 3.84Å; E636-L640 HydrophobicContact CG-CD1 4.18Å
641	M	91.2	Very high	88.6	Confident	17 Å²	17	42.3 Å²	42.3	8%	0.084	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	136.2	-168.9	-56.4	-173.6	-68.9	0	0	111.3	L572 V601 K602 V603 V634 C635 I643	L572-M641 HydrophobicContact CD1-SD 4.12Å; L572-M641 HydrophobicContact CD2-SD 4.27Å; L572-M641 HydrophobicContact CG-SD 4.44Å; V601-M641 HydrophobicContact CG1-CB 3.88Å; V601-M641 HydrophobicContact CG1-CG 4.31Å; V601-M641 HydrophobicContact CG1-SD 4.07Å; K602-M641 CarbonylContact O-C 3.57Å; K602-M641 WeakPolarHBondContact O-CA 3.34Å; V603-M641 HydrophobicContact CB-CG 4.48Å; V603-M641 HydrophobicContact CG1-CG 4.23Å; V603-M641 HydrophobicContact CG2-CG 4.05Å; V603-M641 HydrophobicContact CG2-SD 4.14Å; V634-M641 CarbonylContact C-O 3.6Å; V634-M641 WeakPolarHBondContact CA-O 3.4Å; V634-M641 WeakPolarHBondContact CG1-O 3.28Å; C635-M641 HydrophobicContact CB-CB 4.36Å; C635-M641 HydrophobicContact CB-CE 4.11Å; C635-M641 PolarHBondContact N-O 2.92Å; C635-M641 PolarHBondContact O-N 2.87Å; C635-M641 WeakPolarHBondContact SG-CE 3.3Å; M641-I643 HydrophobicContact CB-CD1 4.31Å
642	M	91.4	Very high	88.7	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	132.1	167	-86	-176.8	-91.6	0	0	109.3	V601 K602 F613 E616 A617 I631 V634 L644	V601-M642 WeakPolarHBondContact CA-O 3.46Å; K602-M642 HydrophobicContact CB-CB 4.25Å; K602-M642 HydrophobicContact CD-CE 4.06Å; K602-M642 PolarHBondContact N-O 3.05Å; K602-M642 PolarHBondContact O-N 2.94Å; F613-M642 HydrophobicContact CD1-CE 3.78Å; F613-M642 HydrophobicContact CD2-CE 3.4Å; F613-M642 VanDerWaalsContact CD2-CE 3.4Å; F613-M642 HydrophobicContact CE1-CB 4.47Å; F613-M642 HydrophobicContact CE1-CE 3.73Å; F613-M642 HydrophobicContact CE1-CG 3.86Å; F613-M642 HydrophobicContact CE2-CE 3.4Å; F613-M642 HydrophobicContact CG-CE 3.64Å; F613-M642 HydrophobicContact CZ-CB 4.19Å; F613-M642 HydrophobicContact CZ-CE 3.57Å; F613-M642 HydrophobicContact CZ-CG 4Å; F613-M642 WeakPolarHBondContact O-CE 3.47Å; E616-M642 HydrophobicContact CB-CE 4.27Å; E616-M642 HydrophobicContact CG-CE 4.46Å; E616-M642 WeakPolarHBondContact OE2-CE 3.28Å; A617-M642 HydrophobicContact CB-CG 3.86Å; A617-M642 HydrophobicContact CB-SD 3.65Å; I631-M642 HydrophobicContact CD1-CB 4.31Å; I631-M642 HydrophobicContact CD1-CG 3.87Å; I631-M642 HydrophobicContact CD1-SD 3.99Å; V634-M642 HydrophobicContact CG2-CG 4.14Å; M642-L644 HydrophobicContact CB-CG 4.49Å
643	I	93.2	Very high	88.8	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	112	-180	-42.6	-55	0	0	0	108.2	I565 V570 L589 V599 V601 Y632 G633 C635 M641	I565-I643 HydrophobicContact CD1-CB 3.92Å; I565-I643 HydrophobicContact CD1-CG1 3.75Å; I565-I643 HydrophobicContact CD1-CG2 4.42Å; V570-I643 HydrophobicContact CB-CD1 4.48Å; V570-I643 HydrophobicContact CG1-CD1 3.8Å; V570-I643 HydrophobicContact CG2-CD1 3.85Å; V570-I643 HydrophobicContact CG2-CG1 4.15Å; L589-I643 HydrophobicContact CD2-CG2 4.2Å; V599-I643 HydrophobicContact CB-CG2 3.96Å; V599-I643 HydrophobicContact CG1-CG2 4.03Å; V599-I643 HydrophobicContact CG2-CG2 3.91Å; V601-I643 HydrophobicContact CG1-CD1 3.81Å; V601-I643 HydrophobicContact CG2-CD1 4.07Å; Y632-I643 HydrophobicContact CD2-CG2 4.28Å; Y632-I643 PolarHBondContact N-O 2.77Å; G633-I643 PolarHBondContact O-N 3.31Å; C635-I643 HydrophobicContact CB-CD1 4.1Å; C635-I643 HydrophobicContact CB-CG1 4.3Å; M641-I643 HydrophobicContact CB-CD1 4.31Å
644	L	93.8	Very high	88.7	Confident	17 Å²	17	40.7 Å²	40.7	9%	0.089	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	159.9	-170	-58.3	172.6	0	0	0	110.8	V599 A600 K602 M620 V629 T630 I631 M642	V599-L644 WeakPolarHBondContact CA-O 3.36Å; V599-L644 WeakPolarHBondContact CB-O 3.45Å; A600-L644 HydrophobicContact CB-CB 4.21Å; A600-L644 PolarHBondContact N-O 3.25Å; A600-L644 PolarHBondContact O-N 2.82Å; K602-L644 HydrophobicContact CB-CD1 4.19Å; K602-L644 HydrophobicContact CD-CD1 4.49Å; M620-L644 HydrophobicContact CE-CD2 3.78Å; M620-L644 HydrophobicContact SD-CD2 4.29Å; V629-L644 HydrophobicContact CG1-CB 4.27Å; T630-L644 WeakPolarHBondContact O-CA 3.48Å; I631-L644 HydrophobicContact CB-CD2 3.75Å; I631-L644 HydrophobicContact CD1-CD2 4.24Å; I631-L644 HydrophobicContact CG1-CD2 3.88Å; M642-L644 HydrophobicContact CB-CG 4.49Å
645	E	93.6	Very high	88.7	Confident	28 Å²	28	41 Å²	41	13%	0.131	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	148.9	166.2	74	175.6	119.5	0	0	111.7	V629 T630 Y632 K706	V629-E645 HydrophobicContact CG1-CG 4.06Å; T630-E645 WeakPolarHBondContact CB-OE1 3.47Å; T630-E645 PolarHBondContact N-OE1 2.85Å; T630-E645 PolarHBondContact O-N 3.01Å; T630-E645 PolarHBondContact OG1-OE1 2.86Å; Y632-E645 HydrophobicContact CE2-CB 4.08Å; Y632-E645 WeakPolarHBondContact OH-CB 3.35Å; E645-K706 IonicContact OE1-NZ 2.78Å; E645-K706 PolarHBondContact OE1-NZ 3.45Å; E645-K706 VanDerWaalsContact OE2-CE 3.3Å; E645-K706 WeakPolarHBondContact OE2-CE 3.31Å; E645-K706 IonicContact OE2-NZ 3.76Å; E645-K706 PolarHBondContact OE2-NZ 3.07Å
646	L	94	Very high	89	Confident	24 Å²	24	41 Å²	41	13%	0.126	20%	0.204	C	C	.	.			trans	-94.5	122.9	-176.2	-176.5	60.6	0	0	0	111	L576 R586 E598 A600	L576-L646 HydrophobicContact CD1-CD1 3.81Å; R586-L646 HydrophobicContact CG-CD2 3.95Å; R586-L646 VanDerWaalsContact CZ-CD2 3.43Å; E598-L646 HydrophobicContact CB-CD2 4.07Å; A600-L646 HydrophobicContact CB-CD1 4.05Å
647	A	92.9	Very high	89.2	Confident	15 Å²	15	40.7 Å²	40.7	12%	0.124	21%	0.205	C	C	.	.			trans	-97.9	103.4	172	0	0	0	0	0	110.2	L649 G650 L698 L699	A647-L649 VanDerWaalsContact C-N 3.28Å; A647-L649 PolarHBondContact O-N 2.74Å; A647-G650 PolarHBondContact O-N 2.9Å; A647-L698 HydrophobicContact CB-CB 3.51Å; A647-L698 HydrophobicContact CB-CD1 4.02Å; A647-L698 HydrophobicContact CB-CG 4.41Å; A647-L699 CarbonylContact C-O 3.56Å
648	E	91.1	Very high	89.9	Confident	103 Å²	103	38.9 Å²	38.9	48%	0.481	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-20.4	-166.8	-69.4	-75.9	-159.1	0	0	115.3	R586	R586-E648 IonicContact CZ-OE1 3.89Å; R586-E648 IonicContact CZ-OE2 3.66Å; R586-E648 IonicContact NH1-OE1 3.16Å; R586-E648 IonicContact NH1-OE2 3.49Å; R586-E648 PolarHBondContact NH1-OE2 2.85Å; R586-E648 IonicContact NH2-OE1 2.74Å; R586-E648 PolarHBondContact NH2-OE1 3.01Å; R586-E648 IonicContact NH2-OE2 2.81Å; R586-E648 PolarHBondContact NH2-OE2 3.35Å
649	L	89	Confident	90.7	Very high	55 Å²	55	33 Å²	33	29%	0.288	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	8.6	-178	-58.6	-178.8	0	0	0	113.8	A647 Y655 L699 H702	A647-L649 VanDerWaalsContact C-N 3.28Å; A647-L649 PolarHBondContact O-N 2.74Å; L649-Y655 HydrophobicContact CB-CD2 4.16Å; L649-Y655 HydrophobicContact CB-CE2 4.49Å; L649-Y655 HydrophobicContact CD1-CD2 4.41Å; L649-Y655 HydrophobicContact CD1-CE2 4.01Å; L649-L699 HydrophobicContact CB-CB 3.77Å; L649-L699 WeakPolarHBondContact CB-O 3.41Å; L649-L699 HydrophobicContact CD1-CB 4.36Å; L649-L699 PolarHBondContact N-O 3.06Å; L649-H702 WeakPolarHBondContact CD1-ND1 3.07Å
650	G	90.9	Very high	91.1	Very high	36 Å²	36	30.3 Å²	30.3	37%	0.371	17%	0.165	S	C	.	.			trans	73.5	-149.4	178.7	0	0	0	0	0	113.2	A647 L698 L699	A647-G650 PolarHBondContact O-N 2.9Å; G650-L698 CarbonylContact O-C 3.56Å; G650-L698 VanDerWaalsContact O-CA 3.29Å; G650-L698 WeakPolarHBondContact O-CA 3.45Å; G650-L699 PolarHBondContact O-N 2.77Å
651	S	92	Very high	91	Very high	8 Å²	8	35.3 Å²	35.3	6%	0.056	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-80.3	148.6	177.3	91.1	0	0	0	0	111.8	L653 D654 Y655 R695 V697	S651-L653 PolarHBondContact O-N 2.81Å; S651-L653 PolarHBondContact OG-N 2.91Å; S651-D654 WeakPolarHBondContact CB-OD2 3.5Å; S651-D654 PolarHBondContact O-N 2.81Å; S651-D654 PolarHBondContact OG-N 3.29Å; S651-D654 VanDerWaalsContact OG-N 3.11Å; S651-D654 PolarHBondContact OG-OD2 3.07Å; S651-Y655 WeakPolarHBondContact O-CB 3.26Å; S651-Y655 PolarHBondContact O-N 3.12Å; S651-R695 WeakPolarHBondContact CB-O 3.19Å; S651-V697 CarbonylContact C-O 3.54Å; S651-V697 WeakPolarHBondContact CA-O 3.37Å
652	L	96.2	Very high	90.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58.7	-38	175	170.2	59	0	0	0	111	L656 W671 I675 V697 L699 M762	L652-L656 HydrophobicContact CD1-CD1 4.02Å; L652-L656 HydrophobicContact CD1-CG 4.1Å; L652-L656 HydrophobicContact CG-CD1 3.95Å; L652-L656 WeakPolarHBondContact O-CB 3.4Å; L652-L656 WeakPolarHBondContact O-CD1 3.2Å; L652-L656 WeakPolarHBondContact O-CG 3.27Å; L652-L656 PolarHBondContact O-N 3.49Å; L652-W671 HydrophobicContact CD1-CD2 3.91Å; L652-W671 HydrophobicContact CD1-CE3 3.44Å; L652-W671 VanDerWaalsContact CD1-CE3 3.44Å; L652-W671 HydrophobicContact CD1-CH2 4.29Å; L652-W671 HydrophobicContact CD1-CZ3 3.66Å; L652-I675 HydrophobicContact CD2-CD1 4.05Å; L652-V697 HydrophobicContact CB-CB 4.1Å; L652-V697 HydrophobicContact CB-CG1 4.04Å; L652-V697 HydrophobicContact CD2-CB 4.24Å; L652-V697 HydrophobicContact CD2-CG1 3.93Å; L652-V697 PolarHBondContact N-O 3Å; L652-L699 HydrophobicContact CB-CG 4.25Å; L652-L699 HydrophobicContact CD1-CD1 4.02Å; L652-L699 HydrophobicContact CD1-CD2 4.29Å; L652-L699 HydrophobicContact CD1-CG 4.32Å; L652-M762 HydrophobicContact CD2-CG 4.06Å; L652-M762 HydrophobicContact CD2-SD 4.12Å
653	L	93.4	Very high	90.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-56.8	-55.6	173.7	169.1	81	0	0	0	112.4	S651 Y655 L656 L657 C694 R695 R910	S651-L653 PolarHBondContact O-N 2.81Å; S651-L653 PolarHBondContact OG-N 2.91Å; L653-Y655 PolarHBondContact O-N 2.84Å; L653-L656 WeakPolarHBondContact O-CB 3.41Å; L653-L656 PolarHBondContact O-N 3.3Å; L653-L656 VanDerWaalsContact O-N 3.15Å; L653-L657 HydrophobicContact CD1-CD1 4.12Å; L653-L657 HydrophobicContact CG-CD1 4.12Å; L653-L657 WeakPolarHBondContact O-CG 3.39Å; L653-L657 PolarHBondContact O-N 3.29Å; L653-L657 VanDerWaalsContact O-N 3.09Å; L653-C694 HydrophobicContact CB-CB 3.79Å; L653-C694 HydrophobicContact CD1-CB 4.5Å; L653-C694 PolarHBondContact N-O 3.29Å; L653-C694 VanDerWaalsContact N-O 3.15Å; L653-R695 HydrophobicContact CD2-CB 3.97Å; L653-R910 VanDerWaalsContact CD1-NH2 3.34Å; L653-R910 HydrophobicContact CD2-CG 4.42Å; L653-R910 VanDerWaalsContact CD2-NH1 3.25Å
654	D	87.8	Confident	90.2	Very high	42 Å²	42	44.6 Å²	44.6	23%	0.225	23%	0.23	C	C	.	.	H	α-helix	trans	-67.7	-34.4	-172.9	-53.5	-49.6	0	0	0	109.2	S651 L657 D658	S651-D654 WeakPolarHBondContact CB-OD2 3.5Å; S651-D654 PolarHBondContact O-N 2.81Å; S651-D654 PolarHBondContact OG-N 3.29Å; S651-D654 VanDerWaalsContact OG-N 3.11Å; S651-D654 PolarHBondContact OG-OD2 3.07Å; D654-L657 PolarHBondContact O-N 2.69Å; D654-D658 WeakPolarHBondContact O-CB 3.39Å; D654-D658 PolarHBondContact O-N 3.05Å
655	Y	92.6	Very high	90.1	Very high	9 Å²	9	45.8 Å²	45.8	4%	0.035	24%	0.236	C	C	.	.	H	α-helix	trans	-60.5	-42.5	170.4	-167.6	-87.4	0	0	0	113.7	L649 S651 L653 L657 Y659 K662 W671 L699 H702	L649-Y655 HydrophobicContact CB-CD2 4.16Å; L649-Y655 HydrophobicContact CB-CE2 4.49Å; L649-Y655 HydrophobicContact CD1-CD2 4.41Å; L649-Y655 HydrophobicContact CD1-CE2 4.01Å; S651-Y655 WeakPolarHBondContact O-CB 3.26Å; S651-Y655 PolarHBondContact O-N 3.12Å; L653-Y655 PolarHBondContact O-N 2.84Å; Y655-L657 VanDerWaalsContact C-N 3.31Å; Y655-L657 PolarHBondContact O-N 3.15Å; Y655-Y659 AromaticContact CD2-CD2 3.6Å; Y655-Y659 HydrophobicContact CD2-CD2 3.6Å; Y655-Y659 HydrophobicContact CD2-CE2 4.11Å; Y655-Y659 AromaticContact CE2-CD2 3.58Å; Y655-Y659 HydrophobicContact CE2-CD2 3.58Å; Y655-Y659 HydrophobicContact CE2-CE2 4.18Å; Y655-Y659 HydrophobicContact CE2-CG 4.37Å; Y655-Y659 HydrophobicContact CG-CD2 4.13Å; Y655-Y659 PolarHBondContact O-N 3.41Å; Y655-K662 HydrophobicContact CE1-CB 4.45Å; Y655-K662 WeakPolarHBondContact OH-CD 3.29Å; Y655-W671 HydrophobicContact CD1-CH2 4.06Å; Y655-W671 AromaticContact CE1-CH2 3.96Å; Y655-W671 HydrophobicContact CE1-CH2 3.96Å; Y655-W671 HydrophobicContact CE1-CZ2 4.43Å; Y655-L699 HydrophobicContact CD1-CD1 3.74Å; Y655-L699 HydrophobicContact CD2-CD1 4.09Å; Y655-L699 HydrophobicContact CE1-CD1 4.41Å; Y655-L699 HydrophobicContact CG-CD1 3.58Å; Y655-H702 AromaticContact CE2-ND1 3.94Å; Y655-H702 AromaticContact CZ-ND1 3.61Å; Y655-H702 PolarHBondContact OH-CE1 3.2Å; Y655-H702 VanDerWaalsContact OH-CE1 3.25Å; Y655-H702 PolarHBondContact OH-ND1 3.3Å
656	L	93.3	Very high	89.8	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.7	-36.5	175	-74.2	158.2	0	0	0	112.1	L652 L653 C663 L668 W671 M762 L765	L652-L656 HydrophobicContact CD1-CD1 4.02Å; L652-L656 HydrophobicContact CD1-CG 4.1Å; L652-L656 HydrophobicContact CG-CD1 3.95Å; L652-L656 WeakPolarHBondContact O-CB 3.4Å; L652-L656 WeakPolarHBondContact O-CD1 3.2Å; L652-L656 WeakPolarHBondContact O-CG 3.27Å; L652-L656 PolarHBondContact O-N 3.49Å; L653-L656 WeakPolarHBondContact O-CB 3.41Å; L653-L656 PolarHBondContact O-N 3.3Å; L653-L656 VanDerWaalsContact O-N 3.15Å; L656-C663 HydrophobicContact CD2-CB 3.86Å; L656-L668 HydrophobicContact CD2-CD2 4.04Å; L656-W671 HydrophobicContact CD2-CZ3 4.43Å; L656-M762 HydrophobicContact CD1-CG 4.42Å; L656-L765 HydrophobicContact CD2-CD2 3.9Å
657	L	87.7	Confident	89.6	Confident	85 Å²	85	48.6 Å²	48.6	45%	0.445	25%	0.253	S	S	.	.	H	α-helix	trans	-79.2	-39.4	-178.7	-71	172.2	0	0	0	113.5	L653 D654 Y655	L653-L657 HydrophobicContact CD1-CD1 4.12Å; L653-L657 HydrophobicContact CG-CD1 4.12Å; L653-L657 WeakPolarHBondContact O-CG 3.39Å; L653-L657 PolarHBondContact O-N 3.29Å; L653-L657 VanDerWaalsContact O-N 3.09Å; D654-L657 PolarHBondContact O-N 2.69Å; Y655-L657 VanDerWaalsContact C-N 3.31Å; Y655-L657 PolarHBondContact O-N 3.15Å
658	D	84.2	Confident	89.7	Confident	53 Å²	53	47.9 Å²	47.9	28%	0.283	25%	0.247	S	C	.	.	H	α-helix	trans	-85.2	-25.7	-177.6	-73.7	-34.4	0	0	0	113.3	D654 P660 T907	D654-D658 WeakPolarHBondContact O-CB 3.39Å; D654-D658 PolarHBondContact O-N 3.05Å; D658-P660 VanDerWaalsContact C-CD 3.47Å; D658-T907 WeakPolarHBondContact OD2-CB 3.34Å; D658-T907 PolarHBondContact OD2-OG1 2.99Å
659	Y	88.5	Confident	89.9	Confident	81 Å²	81	43 Å²	43	32%	0.318	23%	0.225	S	C	.	.			trans	-133.4	47.5	-176.1	-49.8	-63.3	0	0	0	114.5	Y655 E661 K662	Y655-Y659 AromaticContact CD2-CD2 3.6Å; Y655-Y659 HydrophobicContact CD2-CD2 3.6Å; Y655-Y659 HydrophobicContact CD2-CE2 4.11Å; Y655-Y659 AromaticContact CE2-CD2 3.58Å; Y655-Y659 HydrophobicContact CE2-CD2 3.58Å; Y655-Y659 HydrophobicContact CE2-CE2 4.18Å; Y655-Y659 HydrophobicContact CE2-CG 4.37Å; Y655-Y659 HydrophobicContact CG-CD2 4.13Å; Y655-Y659 PolarHBondContact O-N 3.41Å; Y659-E661 VanDerWaalsContact C-OE2 3.22Å; Y659-E661 WeakPolarHBondContact CA-OE2 3.29Å; Y659-E661 PolarHBondContact O-N 2.84Å; Y659-K662 HydrophobicContact CG-CD 4.5Å; Y659-K662 PolarHBondContact O-N 2.67Å
660	P	88.2	Confident	90.1	Very high	56 Å²	56	42.3 Å²	42.3	36%	0.364	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-56.6	-26.2	-177.1	24.6	-35	0	0	0	113.4	D658 K662 C663 L765	D658-P660 VanDerWaalsContact C-CD 3.47Å; P660-K662 PolarHBondContact O-N 3.12Å; P660-C663 PolarHBondContact O-N 3.25Å; P660-L765 HydrophobicContact CB-CD1 3.95Å
661	E	85.1	Confident	90.4	Very high	113 Å²	113	40.6 Å²	40.6	53%	0.528	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-67.5	-13.9	176.4	78.7	-68.4	165.8	0	0	114.7	Y659	Y659-E661 VanDerWaalsContact C-OE2 3.22Å; Y659-E661 WeakPolarHBondContact CA-OE2 3.29Å; Y659-E661 PolarHBondContact O-N 2.84Å
662	K	84	Confident	90.7	Very high	85 Å²	85	40.2 Å²	40.2	37%	0.37	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-102.7	-4.5	-179.8	-55.8	-172.7	-171.8	81.9	0	113.5	Y655 Y659 P660 Q664	Y655-K662 HydrophobicContact CE1-CB 4.45Å; Y655-K662 WeakPolarHBondContact OH-CD 3.29Å; Y659-K662 HydrophobicContact CG-CD 4.5Å; Y659-K662 PolarHBondContact O-N 2.67Å; P660-K662 PolarHBondContact O-N 3.12Å; K662-Q664 PolarHBondContact O-N 2.73Å
663	C	89	Confident	90.8	Very high	4 Å²	4	42 Å²	42	3%	0.027	21%	0.209	C	C	.	.			trans	-102.8	75.2	-173.2	-64.6	0	0	0	0	110.2	L656 P660 L668 W671 L765	L656-C663 HydrophobicContact CD2-CB 3.86Å; P660-C663 PolarHBondContact O-N 3.25Å; C663-L668 HydrophobicContact CB-CD2 4.48Å; C663-W671 HydrophobicContact CB-CZ3 4.41Å; C663-L765 HydrophobicContact CB-CD2 3.58Å
664	Q	87.2	Confident	91	Very high	122 Å²	122	42.8 Å²	42.8	57%	0.57	21%	0.213	S	C	*	.			trans	-95.5	171.2	-178.7	-53	178.5	20.8	0	0	110.5	K662 P666 E667 L668	K662-Q664 PolarHBondContact O-N 2.73Å; Q664-P666 VanDerWaalsContact C-N 3.35Å; Q664-E667 WeakPolarHBondContact CB-OE2 3.33Å; Q664-E667 PolarHBondContact N-OE2 2.81Å; Q664-E667 PolarHBondContact O-N 3.46Å; Q664-E667 VanDerWaalsContact O-N 3.13Å; Q664-L668 WeakPolarHBondContact O-CG 3.48Å; Q664-L668 PolarHBondContact O-N 3.12Å
665	L	90.5	Very high	91.5	Very high	43 Å²	43	40.9 Å²	40.9	23%	0.225	20%	0.203	C	C	.	.	H	α-helix	trans	-51.2	-40.6	-178	-67.2	174.1	0	0	0	115.1	E667 L668 Y669 F763 L793 V834	L665-E667 PolarHBondContact O-N 3.17Å; L665-L668 PolarHBondContact O-N 3.26Å; L665-Y669 HydrophobicContact CB-CD2 4.39Å; L665-Y669 HydrophobicContact CB-CE2 3.97Å; L665-Y669 WeakPolarHBondContact O-CD2 3.22Å; L665-Y669 VanDerWaalsContact O-CG 3.31Å; L665-Y669 PolarHBondContact O-N 2.97Å; L665-F763 HydrophobicContact CD2-CD1 4.46Å; L665-F763 HydrophobicContact CD2-CE1 4.02Å; L665-L793 HydrophobicContact CD2-CB 4.42Å; L665-L793 WeakPolarHBondContact CD2-O 3.39Å; L665-V834 HydrophobicContact CD1-CG2 4.24Å
666	P	87.6	Confident	91.7	Very high	48 Å²	48	40.4 Å²	40.4	31%	0.312	20%	0.201	S	C	.	.	H	α-helix	trans	-59.9	-45.2	176.9	-17.7	28.2	0	0	0	112.8	Q664 N670 V830	Q664-P666 VanDerWaalsContact C-N 3.35Å; P666-N670 VanDerWaalsContact O-CB 3.26Å; P666-N670 WeakPolarHBondContact O-CB 3.39Å; P666-N670 PolarHBondContact O-N 2.94Å; P666-V830 HydrophobicContact CB-CG1 4.27Å; P666-V830 HydrophobicContact CB-CG2 4.48Å; P666-V830 HydrophobicContact CG-CG1 3.95Å
667	E	90.9	Very high	92	Very high	63 Å²	63	41.8 Å²	41.8	29%	0.294	21%	0.21	S	C	.	.	H	α-helix	trans	-66.5	-44.9	179.3	-67.3	68.3	-147.6	0	0	110.9	Q664 L665 N670 W671	Q664-E667 WeakPolarHBondContact CB-OE2 3.33Å; Q664-E667 PolarHBondContact N-OE2 2.81Å; Q664-E667 PolarHBondContact O-N 3.46Å; Q664-E667 VanDerWaalsContact O-N 3.13Å; L665-E667 PolarHBondContact O-N 3.17Å; E667-N670 PolarHBondContact O-N 3.01Å; E667-W671 HydrophobicContact CB-CD2 4.44Å; E667-W671 HydrophobicContact CB-CE3 4.37Å; E667-W671 HydrophobicContact CB-CH2 3.88Å; E667-W671 HydrophobicContact CB-CZ2 3.93Å; E667-W671 HydrophobicContact CB-CZ3 4.1Å; E667-W671 HydrophobicContact CG-CZ2 4.41Å; E667-W671 VanDerWaalsContact O-CD2 3.26Å; E667-W671 VanDerWaalsContact O-CG 3.22Å; E667-W671 PolarHBondContact O-N 2.93Å
668	L	95.1	Very high	92.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.2	-50.8	178	-63.2	-178.6	0	0	0	111.5	L656 C663 Q664 L665 N670 W671 S672 M762 F763 L793	L656-L668 HydrophobicContact CD2-CD2 4.04Å; C663-L668 HydrophobicContact CB-CD2 4.48Å; Q664-L668 WeakPolarHBondContact O-CG 3.48Å; Q664-L668 PolarHBondContact O-N 3.12Å; L665-L668 PolarHBondContact O-N 3.26Å; L668-N670 VanDerWaalsContact C-N 3.35Å; L668-N670 PolarHBondContact O-N 2.68Å; L668-W671 HydrophobicContact CD2-CE3 4.05Å; L668-W671 HydrophobicContact CD2-CZ3 4.02Å; L668-W671 PolarHBondContact O-N 3.49Å; L668-S672 WeakPolarHBondContact O-CB 3.43Å; L668-S672 PolarHBondContact O-N 2.8Å; L668-S672 PolarHBondContact O-OG 2.85Å; L668-M762 HydrophobicContact CB-CE 4.47Å; L668-M762 HydrophobicContact CD2-CB 4.23Å; L668-M762 HydrophobicContact CD2-CE 4.32Å; L668-M762 WeakPolarHBondContact O-CE 3.45Å; L668-F763 HydrophobicContact CB-CE1 4.1Å; L668-F763 HydrophobicContact CB-CE2 4.35Å; L668-F763 HydrophobicContact CB-CZ 3.92Å; L668-F763 HydrophobicContact CD1-CD1 3.85Å; L668-F763 HydrophobicContact CD1-CE1 4.03Å; L668-F763 HydrophobicContact CD1-CG 4.24Å; L668-L793 HydrophobicContact CD1-CB 4.35Å; L668-L793 HydrophobicContact CD1-CD1 3.7Å
669	Y	94.2	Very high	93.1	Very high	1 Å²	1	35.2 Å²	35.2	0%	0.004	18%	0.176	C	C	.	.	H	α-helix	trans	-61	-42.4	177.9	-65.3	-39.3	0	0	0	112.5	L665 S672 M673 F763 V798 F823 L826 V830	L665-Y669 HydrophobicContact CB-CD2 4.39Å; L665-Y669 HydrophobicContact CB-CE2 3.97Å; L665-Y669 WeakPolarHBondContact O-CD2 3.22Å; L665-Y669 VanDerWaalsContact O-CG 3.31Å; L665-Y669 PolarHBondContact O-N 2.97Å; Y669-S672 PolarHBondContact O-N 2.98Å; Y669-M673 WeakPolarHBondContact O-CB 3.42Å; Y669-M673 PolarHBondContact O-N 2.64Å; Y669-F763 HydrophobicContact CD1-CE1 4.29Å; Y669-F763 AromaticContact CD1-CZ 3.75Å; Y669-F763 HydrophobicContact CD1-CZ 3.75Å; Y669-F763 AromaticContact CE1-CE1 3.82Å; Y669-F763 HydrophobicContact CE1-CE1 3.82Å; Y669-F763 AromaticContact CE1-CZ 3.65Å; Y669-F763 HydrophobicContact CE1-CZ 3.65Å; Y669-V798 HydrophobicContact CE1-CG2 3.69Å; Y669-F823 HydrophobicContact CD1-CD1 4.43Å; Y669-F823 HydrophobicContact CD1-CE1 4.47Å; Y669-L826 HydrophobicContact CD1-CB 3.96Å; Y669-L826 HydrophobicContact CD1-CD1 4.21Å; Y669-L826 HydrophobicContact CD2-CB 4.35Å; Y669-L826 HydrophobicContact CE1-CB 4.31Å; Y669-L826 HydrophobicContact CE1-CD1 4.12Å; Y669-L826 HydrophobicContact CG-CB 4.01Å; Y669-V830 HydrophobicContact CD2-CG1 4.03Å; Y669-V830 HydrophobicContact CD2-CG2 4.17Å; Y669-V830 HydrophobicContact CE2-CG1 4.17Å
670	N	94.1	Very high	93.5	Very high	39 Å²	39	32.6 Å²	32.6	21%	0.209	17%	0.169	C	C	.	.	H	α-helix	trans	-62	-46.8	176.6	174.6	57.1	0	0	0	111.8	P666 E667 L668 S672 M673 Q674 S703	P666-N670 VanDerWaalsContact O-CB 3.26Å; P666-N670 WeakPolarHBondContact O-CB 3.39Å; P666-N670 PolarHBondContact O-N 2.94Å; E667-N670 PolarHBondContact O-N 3.01Å; L668-N670 VanDerWaalsContact C-N 3.35Å; L668-N670 PolarHBondContact O-N 2.68Å; N670-S672 PolarHBondContact O-N 2.88Å; N670-M673 PolarHBondContact O-N 3.09Å; N670-Q674 PolarHBondContact ND2-NE2 3.28Å; N670-Q674 WeakPolarHBondContact O-CB 3.2Å; N670-Q674 WeakPolarHBondContact O-CG 3.34Å; N670-Q674 PolarHBondContact O-N 3.44Å; N670-Q674 PolarHBondContact OD1-NE2 2.98Å; N670-S703 PolarHBondContact ND2-O 3.48Å; N670-S703 VanDerWaalsContact ND2-O 3.12Å
671	W	97.3	Very high	93.9	Very high	1 Å²	1	32.5 Å²	32.5	0%	0.004	16%	0.163	C	C	.	.	H	α-helix	trans	-64.8	-39.2	176.5	-61.5	-29.6	0	0	0	112	L652 Y655 L656 C663 E667 L668 M673 Q674 I675 L699 H702 A705 M762	L652-W671 HydrophobicContact CD1-CD2 3.91Å; L652-W671 HydrophobicContact CD1-CE3 3.44Å; L652-W671 VanDerWaalsContact CD1-CE3 3.44Å; L652-W671 HydrophobicContact CD1-CH2 4.29Å; L652-W671 HydrophobicContact CD1-CZ3 3.66Å; Y655-W671 HydrophobicContact CD1-CH2 4.06Å; Y655-W671 AromaticContact CE1-CH2 3.96Å; Y655-W671 HydrophobicContact CE1-CH2 3.96Å; Y655-W671 HydrophobicContact CE1-CZ2 4.43Å; L656-W671 HydrophobicContact CD2-CZ3 4.43Å; C663-W671 HydrophobicContact CB-CZ3 4.41Å; E667-W671 HydrophobicContact CB-CD2 4.44Å; E667-W671 HydrophobicContact CB-CE3 4.37Å; E667-W671 HydrophobicContact CB-CH2 3.88Å; E667-W671 HydrophobicContact CB-CZ2 3.93Å; E667-W671 HydrophobicContact CB-CZ3 4.1Å; E667-W671 HydrophobicContact CG-CZ2 4.41Å; E667-W671 VanDerWaalsContact O-CD2 3.26Å; E667-W671 VanDerWaalsContact O-CG 3.22Å; E667-W671 PolarHBondContact O-N 2.93Å; L668-W671 HydrophobicContact CD2-CE3 4.05Å; L668-W671 HydrophobicContact CD2-CZ3 4.02Å; L668-W671 PolarHBondContact O-N 3.49Å; W671-M673 PolarHBondContact O-N 3.12Å; W671-Q674 PolarHBondContact O-N 3.32Å; W671-I675 WeakPolarHBondContact O-CD1 3.37Å; W671-I675 VanDerWaalsContact O-CG1 3.25Å; W671-I675 WeakPolarHBondContact O-CG1 3.25Å; W671-I675 PolarHBondContact O-N 2.93Å; W671-L699 HydrophobicContact CD2-CD2 4.38Å; W671-L699 HydrophobicContact CG-CD2 4.44Å; W671-L699 HydrophobicContact CH2-CD1 4.42Å; W671-L699 HydrophobicContact CZ2-CD1 4.03Å; W671-L699 HydrophobicContact CZ2-CD2 4.37Å; W671-H702 WeakPolarHBondContact CZ2-O 3.39Å; W671-H702 PolarHBondContact NE1-O 3.32Å; W671-A705 HydrophobicContact CB-CB 4.4Å; W671-A705 HydrophobicContact CG-CB 4.36Å; W671-M762 HydrophobicContact CB-CE 3.68Å; W671-M762 HydrophobicContact CE3-CE 4.41Å
672	S	97.7	Very high	94.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.5	-44.5	175.9	-63	0	0	0	0	112.1	L668 Y669 N670 Q674 A676 L759 M762	L668-S672 WeakPolarHBondContact O-CB 3.43Å; L668-S672 PolarHBondContact O-N 2.8Å; L668-S672 PolarHBondContact O-OG 2.85Å; Y669-S672 PolarHBondContact O-N 2.98Å; N670-S672 PolarHBondContact O-N 2.88Å; S672-Q674 VanDerWaalsContact C-N 3.34Å; S672-Q674 PolarHBondContact O-N 2.99Å; S672-A676 WeakPolarHBondContact O-CB 3.14Å; S672-A676 PolarHBondContact O-N 3.4Å; S672-L759 WeakPolarHBondContact OG-CD2 3.42Å; S672-M762 WeakPolarHBondContact OG-CE 3.29Å
673	M	97.5	Very high	94.7	Very high	38 Å²	38	25.2 Å²	25.2	19%	0.187	13%	0.13	C	C	.	.	H	α-helix	trans	-58.6	-44.8	173.6	177.2	-168.5	64.1	0	0	111.4	Y669 N670 W671 A676 S677 L820 F823 Q824 A827	Y669-M673 WeakPolarHBondContact O-CB 3.42Å; Y669-M673 PolarHBondContact O-N 2.64Å; N670-M673 PolarHBondContact O-N 3.09Å; W671-M673 PolarHBondContact O-N 3.12Å; M673-A676 PolarHBondContact O-N 3.05Å; M673-S677 WeakPolarHBondContact O-CB 3.26Å; M673-S677 PolarHBondContact O-N 3.36Å; M673-L820 HydrophobicContact CG-CD1 3.99Å; M673-F823 HydrophobicContact CB-CB 3.99Å; M673-Q824 HydrophobicContact CG-CB 4.12Å; M673-Q824 HydrophobicContact SD-CB 4.01Å; M673-Q824 HydrophobicContact SD-CG 4.03Å; M673-A827 HydrophobicContact CB-CB 4.4Å; M673-A827 HydrophobicContact CE-CB 4.45Å; M673-A827 HydrophobicContact SD-CB 4.05Å
674	Q	97.8	Very high	94.8	Very high	15 Å²	15	29.4 Å²	29.4	7%	0.07	16%	0.16	C	C	.	.	H	α-helix	trans	-68.8	-40.1	-177.5	-71.6	179.6	10.1	0	0	112.8	H627 N670 W671 S672 S677 G678 S703 C704	H627-Q674 VanDerWaalsContact CB-O 3.29Å; H627-Q674 WeakPolarHBondContact CB-O 3.44Å; H627-Q674 WeakPolarHBondContact CE1-CG 3.48Å; N670-Q674 PolarHBondContact ND2-NE2 3.28Å; N670-Q674 WeakPolarHBondContact O-CB 3.2Å; N670-Q674 WeakPolarHBondContact O-CG 3.34Å; N670-Q674 PolarHBondContact O-N 3.44Å; N670-Q674 PolarHBondContact OD1-NE2 2.98Å; W671-Q674 PolarHBondContact O-N 3.32Å; S672-Q674 VanDerWaalsContact C-N 3.34Å; S672-Q674 PolarHBondContact O-N 2.99Å; Q674-S677 WeakPolarHBondContact O-CB 3.47Å; Q674-S677 PolarHBondContact O-N 3.05Å; Q674-G678 PolarHBondContact O-N 3.03Å; Q674-S703 PolarHBondContact NE2-O 2.68Å; Q674-S703 PolarHBondContact OE1-O 3.47Å; Q674-C704 VanDerWaalsContact OE1-CA 3.31Å
675	I	98.3	Very high	94.9	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-65.8	-44.3	173.5	-62.3	158.9	0	0	0	110.1	L652 W671 S677 G678 M679 L692 V697 I707 F755 M762	L652-I675 HydrophobicContact CD2-CD1 4.05Å; W671-I675 WeakPolarHBondContact O-CD1 3.37Å; W671-I675 VanDerWaalsContact O-CG1 3.25Å; W671-I675 WeakPolarHBondContact O-CG1 3.25Å; W671-I675 PolarHBondContact O-N 2.93Å; I675-S677 VanDerWaalsContact C-N 3.3Å; I675-S677 PolarHBondContact O-N 2.89Å; I675-G678 PolarHBondContact O-N 3.15Å; I675-M679 HydrophobicContact CG2-CG 4.47Å; I675-M679 WeakPolarHBondContact O-CG 3.42Å; I675-M679 PolarHBondContact O-N 2.96Å; I675-L692 HydrophobicContact CG2-CD1 4.14Å; I675-V697 HydrophobicContact CD1-CG1 4.09Å; I675-V697 HydrophobicContact CD1-CG2 4Å; I675-V697 HydrophobicContact CG1-CG1 4.06Å; I675-V697 HydrophobicContact CG1-CG2 4.06Å; I675-I707 HydrophobicContact CG2-CD1 4.33Å; I675-I707 HydrophobicContact CG2-CG1 4.47Å; I675-F755 HydrophobicContact CB-CE2 3.94Å; I675-F755 HydrophobicContact CG2-CD2 3.73Å; I675-F755 HydrophobicContact CG2-CE2 3.6Å; I675-M762 HydrophobicContact CD1-SD 3.92Å
676	A	98.3	Very high	94.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.9	-38.5	175.4	0	0	0	0	0	112.2	S672 M673 M679 S680 F755 L819 L820	S672-A676 WeakPolarHBondContact O-CB 3.14Å; S672-A676 PolarHBondContact O-N 3.4Å; M673-A676 PolarHBondContact O-N 3.05Å; A676-M679 PolarHBondContact O-N 3.37Å; A676-S680 WeakPolarHBondContact O-CB 3.47Å; A676-S680 PolarHBondContact O-N 2.91Å; A676-F755 HydrophobicContact CB-CZ 4Å; A676-L819 HydrophobicContact CB-CB 4.4Å; A676-L820 HydrophobicContact CB-CB 4.16Å
677	S	98.2	Very high	94.7	Very high	28 Å²	28	27.6 Å²	27.6	20%	0.196	15%	0.147	C	C	.	.	H	α-helix	trans	-62	-48.5	173.9	177.6	0	0	0	0	112	H625 M673 Q674 I675 M679 S680 F681	H625-S677 PolarHBondContact CE1-OG 2.95Å; H625-S677 VanDerWaalsContact CE1-OG 3.26Å; M673-S677 WeakPolarHBondContact O-CB 3.26Å; M673-S677 PolarHBondContact O-N 3.36Å; Q674-S677 WeakPolarHBondContact O-CB 3.47Å; Q674-S677 PolarHBondContact O-N 3.05Å; I675-S677 VanDerWaalsContact C-N 3.3Å; I675-S677 PolarHBondContact O-N 2.89Å; S677-M679 PolarHBondContact O-N 3.49Å; S677-S680 PolarHBondContact O-N 3.32Å; S677-F681 PolarHBondContact O-N 3.42Å; S677-F681 VanDerWaalsContact O-N 3.08Å
678	G	97.1	Very high	94.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.7	-40.5	175.8	0	0	0	0	0	113.4	Q674 I675 F681 L682	Q674-G678 PolarHBondContact O-N 3.03Å; I675-G678 PolarHBondContact O-N 3.15Å; G678-F681 PolarHBondContact O-N 3.5Å; G678-L682 WeakPolarHBondContact O-CG 3.1Å; G678-L682 PolarHBondContact O-N 3.41Å; G678-L682 VanDerWaalsContact O-N 3.15Å
679	M	97.8	Very high	94.4	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-70.8	-35	176.6	-71.5	-56.1	-49.9	0	0	113.3	I675 A676 S677 F681 L682 E683 H689 L692 I707 D751 F816	I675-M679 HydrophobicContact CG2-CG 4.47Å; I675-M679 WeakPolarHBondContact O-CG 3.42Å; I675-M679 PolarHBondContact O-N 2.96Å; A676-M679 PolarHBondContact O-N 3.37Å; S677-M679 PolarHBondContact O-N 3.49Å; M679-F681 VanDerWaalsContact C-N 3.32Å; M679-F681 PolarHBondContact O-N 3.23Å; M679-L682 HydrophobicContact CE-CD1 4.2Å; M679-L682 PolarHBondContact O-N 2.87Å; M679-L682 HydrophobicContact SD-CD1 3.75Å; M679-E683 WeakPolarHBondContact O-CB 3.43Å; M679-E683 PolarHBondContact O-N 2.93Å; M679-H689 HydrophobicContact CE-CB 4.03Å; M679-H689 HydrophobicContact SD-CB 4.23Å; M679-L692 HydrophobicContact CE-CD2 4.39Å; M679-L692 HydrophobicContact CG-CD1 4.46Å; M679-L692 HydrophobicContact CG-CD2 3.74Å; M679-L692 HydrophobicContact SD-CD1 4.08Å; M679-L692 HydrophobicContact SD-CD2 3.79Å; M679-L692 HydrophobicContact SD-CG 4.45Å; M679-I707 HydrophobicContact CG-CD1 3.76Å; M679-I707 HydrophobicContact SD-CD1 3.82Å; M679-D751 HydrophobicContact CE-CB 3.64Å; M679-F816 HydrophobicContact CB-CB 4.3Å; M679-F816 HydrophobicContact CB-CD1 3.33Å; M679-F816 HydrophobicContact CB-CD2 3.83Å; M679-F816 HydrophobicContact CB-CE1 3.4Å; M679-F816 VanDerWaalsContact CB-CE1 3.4Å; M679-F816 HydrophobicContact CB-CE2 3.87Å; M679-F816 HydrophobicContact CB-CG 3.55Å; M679-F816 HydrophobicContact CB-CZ 3.66Å; M679-F816 HydrophobicContact CE-CD2 4.4Å; M679-F816 HydrophobicContact CE-CE2 3.64Å; M679-F816 HydrophobicContact CE-CZ 3.71Å; M679-F816 HydrophobicContact CG-CD1 4.15Å; M679-F816 HydrophobicContact CG-CE1 3.71Å; M679-F816 HydrophobicContact CG-CE2 4.4Å; M679-F816 HydrophobicContact CG-CZ 3.84Å
680	S	97.4	Very high	94.2	Very high	25 Å²	25	25.3 Å²	25.3	18%	0.175	14%	0.136	C	C	.	.	H	α-helix	trans	-66.5	-34.2	174.2	-170.2	0	0	0	0	111.9	A676 S677 E683 S684	A676-S680 WeakPolarHBondContact O-CB 3.47Å; A676-S680 PolarHBondContact O-N 2.91Å; S677-S680 PolarHBondContact O-N 3.32Å; S680-E683 PolarHBondContact O-N 2.64Å; S680-S684 PolarHBondContact O-N 3.3Å
681	F	96.2	Very high	94	Very high	55 Å²	55	24.2 Å²	24.2	24%	0.241	13%	0.131	C	C	.	.	H	α-helix	trans	-62.2	-46.3	168.4	173.7	-93.3	0	0	0	111.7	L623 H625 I628 S677 G678 M679 E683 S684 A685	L623-F681 HydrophobicContact CB-CE1 4.34Å; L623-F681 HydrophobicContact CD2-CE1 3.97Å; H625-F681 HydrophobicContact CB-CB 4.47Å; H625-F681 HydrophobicContact CB-CD1 3.84Å; H625-F681 HydrophobicContact CB-CD2 4.29Å; H625-F681 HydrophobicContact CB-CE1 4.1Å; H625-F681 HydrophobicContact CB-CG 3.93Å; H625-F681 HydrophobicContact CB-CZ 4.44Å; H625-F681 AromaticContact CD2-CD2 3.88Å; H625-F681 AromaticContact CD2-CG 3.81Å; H625-F681 AromaticContact CG-CG 3.87Å; I628-F681 HydrophobicContact CD1-CD1 3.55Å; I628-F681 HydrophobicContact CD1-CE1 4Å; S677-F681 PolarHBondContact O-N 3.42Å; S677-F681 VanDerWaalsContact O-N 3.08Å; G678-F681 PolarHBondContact O-N 3.5Å; M679-F681 VanDerWaalsContact C-N 3.32Å; M679-F681 PolarHBondContact O-N 3.23Å; F681-E683 PolarHBondContact O-N 3.07Å; F681-S684 PolarHBondContact O-N 2.88Å; F681-S684 PolarHBondContact O-OG 2.7Å; F681-A685 WeakPolarHBondContact O-CB 3.42Å; F681-A685 PolarHBondContact O-N 3.29Å
682	L	93.3	Very high	93.8	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-62.2	-39.7	177.2	-68.5	171.2	0	0	0	112.9	L623 I628 G678 M679 A685 R686 F687 F710	L623-L682 HydrophobicContact CD1-CD2 3.77Å; L623-L682 HydrophobicContact CD2-CD2 3.82Å; L623-L682 HydrophobicContact CG-CD2 4.4Å; I628-L682 HydrophobicContact CD1-CD1 4.35Å; I628-L682 HydrophobicContact CD1-CD2 3.87Å; I628-L682 HydrophobicContact CD1-CG 3.9Å; G678-L682 WeakPolarHBondContact O-CG 3.1Å; G678-L682 PolarHBondContact O-N 3.41Å; G678-L682 VanDerWaalsContact O-N 3.15Å; M679-L682 HydrophobicContact CE-CD1 4.2Å; M679-L682 PolarHBondContact O-N 2.87Å; M679-L682 HydrophobicContact SD-CD1 3.75Å; L682-A685 CarbonylContact O-C 3.56Å; L682-A685 PolarHBondContact O-N 3.24Å; L682-R686 PolarHBondContact O-N 3.03Å; L682-R686 VanDerWaalsContact O-N 3.13Å; L682-F687 HydrophobicContact CB-CB 4.37Å; L682-F687 HydrophobicContact CD2-CB 3.96Å; L682-F687 PolarHBondContact O-N 2.88Å; L682-F710 HydrophobicContact CD1-CE1 3.93Å; L682-F710 HydrophobicContact CD1-CZ 4.37Å; L682-F710 HydrophobicContact CD2-CE1 3.89Å; L682-F710 HydrophobicContact CD2-CZ 4.48Å
683	E	93.3	Very high	93.7	Very high	44 Å²	44	24.2 Å²	24.2	21%	0.206	13%	0.13	C	C	.	.	H	α-helix	trans	-57.4	-49.3	171.5	-176.1	173	-109.1	0	0	110.8	M679 S680 F681 A685 R686 H748 F816	M679-E683 WeakPolarHBondContact O-CB 3.43Å; M679-E683 PolarHBondContact O-N 2.93Å; S680-E683 PolarHBondContact O-N 2.64Å; F681-E683 PolarHBondContact O-N 3.07Å; E683-A685 VanDerWaalsContact C-N 3.26Å; E683-A685 PolarHBondContact O-N 2.76Å; E683-R686 PolarHBondContact O-N 2.69Å; E683-R686 VanDerWaalsContact O-N 3.11Å; E683-H748 HydrophobicContact CG-CB 4.28Å; E683-F816 PolarHBondContact OE2-N 3.17Å
684	S	91.6	Very high	93.6	Very high	92 Å²	92	22.4 Å²	22.4	64%	0.643	12%	0.122	S	C	*	.	H	α-helix	trans	-62.9	-30.5	175.7	80.7	0	0	0	0	113.7	S680 F681 R686	S680-S684 PolarHBondContact O-N 3.3Å; F681-S684 PolarHBondContact O-N 2.88Å; F681-S684 PolarHBondContact O-OG 2.7Å; S684-R686 VanDerWaalsContact C-N 3.32Å
685	A	88.2	Confident	93.3	Very high	39 Å²	39	24.6 Å²	24.6	32%	0.322	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	3	177.8	0	0	0	0	0	113.8	F681 L682 E683 F687	F681-A685 WeakPolarHBondContact O-CB 3.42Å; F681-A685 PolarHBondContact O-N 3.29Å; L682-A685 CarbonylContact O-C 3.56Å; L682-A685 PolarHBondContact O-N 3.24Å; E683-A685 VanDerWaalsContact C-N 3.26Å; E683-A685 PolarHBondContact O-N 2.76Å; A685-F687 VanDerWaalsContact C-N 3.27Å; A685-F687 HydrophobicContact CB-CD2 4.23Å; A685-F687 WeakPolarHBondContact O-CD2 3.32Å; A685-F687 PolarHBondContact O-N 2.95Å
686	R	88	Confident	93	Very high	122 Å²	122	25 Å²	25	46%	0.46	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	39.7	-174.5	-60.1	-178.2	173.4	-120.9	-2.4	113.3	L682 E683 S684 A715 V716 D721	L682-R686 PolarHBondContact O-N 3.03Å; L682-R686 VanDerWaalsContact O-N 3.13Å; E683-R686 PolarHBondContact O-N 2.69Å; E683-R686 VanDerWaalsContact O-N 3.11Å; S684-R686 VanDerWaalsContact C-N 3.32Å; R686-A715 WeakPolarHBondContact O-CA 3.47Å; R686-V716 WeakPolarHBondContact O-CG2 3.15Å; R686-V716 PolarHBondContact O-N 3.3Å; R686-D721 IonicContact NH1-OD1 3.92Å
687	F	86.8	Confident	93	Very high	14 Å²	14	25 Å²	25	6%	0.061	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	131.4	173.6	-93	-79.7	0	0	0	111.9	I619 L623 L682 A685 A715 H748	I619-F687 HydrophobicContact CB-CE1 4.12Å; I619-F687 HydrophobicContact CB-CZ 4.37Å; I619-F687 HydrophobicContact CD1-CE1 4.07Å; I619-F687 HydrophobicContact CG1-CE1 3.76Å; I619-F687 HydrophobicContact CG1-CZ 4.08Å; I619-F687 HydrophobicContact CG2-CD1 3.97Å; I619-F687 HydrophobicContact CG2-CE1 3.39Å; I619-F687 HydrophobicContact CG2-CZ 3.86Å; L623-F687 HydrophobicContact CD2-CD2 3.98Å; L623-F687 HydrophobicContact CD2-CE2 4.31Å; L623-F687 HydrophobicContact CD2-CG 4.49Å; L682-F687 HydrophobicContact CB-CB 4.37Å; L682-F687 HydrophobicContact CD2-CB 3.96Å; L682-F687 PolarHBondContact O-N 2.88Å; A685-F687 VanDerWaalsContact C-N 3.27Å; A685-F687 HydrophobicContact CB-CD2 4.23Å; A685-F687 WeakPolarHBondContact O-CD2 3.32Å; A685-F687 PolarHBondContact O-N 2.95Å; F687-A715 HydrophobicContact CD1-CB 4.32Å; F687-A715 HydrophobicContact CE1-CB 3.8Å; F687-A715 VanDerWaalsContact CE1-N 3.35Å; F687-A715 HydrophobicContact CE2-CB 4.23Å; F687-A715 HydrophobicContact CZ-CB 3.77Å; F687-H748 PolarHBondContact O-CE1 3.5Å; F687-H748 PolarHBondContact O-ND1 2.99Å
688	V	89.3	Confident	92.8	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.018	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124.7	173.2	-176.3	0	0	0	0	108	R690 S713 R714 V716 F746 D751	V688-R690 HydrophobicContact CB-CG 4.27Å; V688-R690 HydrophobicContact CG1-CG 3.68Å; V688-S713 WeakPolarHBondContact O-CA 3.39Å; V688-S713 WeakPolarHBondContact O-CB 3.47Å; V688-R714 PolarHBondContact N-O 2.88Å; V688-R714 VanDerWaalsContact N-O 3.11Å; V688-R714 PolarHBondContact O-N 2.81Å; V688-V716 HydrophobicContact CG2-CG2 3.67Å; V688-F746 HydrophobicContact CG1-CB 4.13Å; V688-D751 WeakPolarHBondContact CA-OD2 3.47Å; V688-D751 VanDerWaalsContact CG1-OD2 3.24Å; V688-D751 WeakPolarHBondContact CG1-OD2 3.38Å
689	H	90.5	Very high	92.8	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.009	13%	0.133	C	C	.	.			trans	-69.8	-45.6	-173.2	-165	-96.6	0	0	0	111.5	M679 D691 L692 I707 S708 F710 S713 D751	M679-H689 HydrophobicContact CE-CB 4.03Å; M679-H689 HydrophobicContact SD-CB 4.23Å; H689-D691 PolarHBondContact CE1-O 3.18Å; H689-D691 PolarHBondContact ND1-O 2.74Å; H689-D691 PolarHBondContact O-N 2.66Å; H689-D691 VanDerWaalsContact O-N 3.16Å; H689-L692 PolarHBondContact ND1-N 2.75Å; H689-I707 WeakPolarHBondContact NE2-CG2 3.34Å; H689-S708 PolarHBondContact CE1-O 3.44Å; H689-S708 PolarHBondContact NE2-O 3.07Å; H689-F710 AromaticContact CD2-CD1 3.86Å; H689-F710 AromaticContact CD2-CE1 3.58Å; H689-F710 AromaticContact NE2-CE1 3.97Å; H689-S713 WeakPolarHBondContact O-CA 3.43Å; H689-S713 PolarHBondContact O-OG 3.05Å; H689-D751 PolarHBondContact N-OD1 3.38Å; H689-D751 PolarHBondContact N-OD2 3.44Å
690	R	89.7	Confident	92.4	Very high	10 Å²	10	26.8 Å²	26.8	4%	0.038	14%	0.14	C	C	.	.	S	Bend	trans	66.7	-1.3	177.8	-54.4	-172.8	53.5	-115.7	-12	116.6	V688 L712 Y736 F746 D751	V688-R690 HydrophobicContact CB-CG 4.27Å; V688-R690 HydrophobicContact CG1-CG 3.68Å; R690-L712 HydrophobicContact CB-CB 4.14Å; R690-L712 VanDerWaalsContact CD-O 3.3Å; R690-L712 WeakPolarHBondContact CD-O 3.29Å; R690-L712 PolarHBondContact NH1-O 2.84Å; R690-Y736 WeakPolarHBondContact O-CE1 3.39Å; R690-Y736 PolarHBondContact O-OH 2.91Å; R690-F746 HydrophobicContact CB-CD1 3.99Å; R690-F746 HydrophobicContact CB-CE1 4.35Å; R690-F746 HydrophobicContact CG-CB 3.91Å; R690-F746 HydrophobicContact CG-CD1 3.69Å; R690-F746 HydrophobicContact CG-CE1 4.48Å; R690-F746 HydrophobicContact CG-CG 3.94Å; R690-F746 VanDerWaalsContact NE-CD1 3.26Å; R690-F746 VanDerWaalsContact NE-CD2 3.29Å; R690-D751 PolarHBondContact N-OD1 2.86Å
691	D	88.8	Confident	92.1	Very high	17 Å²	17	28.9 Å²	28.9	9%	0.091	15%	0.15	C	C	.	.			trans	-152.4	59.5	167.1	-161.2	25.7	0	0	0	113.8	H689 R695 N696 L712 P732	H689-D691 PolarHBondContact CE1-O 3.18Å; H689-D691 PolarHBondContact ND1-O 2.74Å; H689-D691 PolarHBondContact O-N 2.66Å; H689-D691 VanDerWaalsContact O-N 3.16Å; D691-R695 IonicContact OD1-CZ 2.83Å; D691-R695 IonicContact OD1-NH2 2.65Å; D691-R695 PolarHBondContact OD1-NH2 2.87Å; D691-R695 IonicContact OD2-CZ 3.12Å; D691-R695 IonicContact OD2-NE 3.78Å; D691-R695 IonicContact OD2-NH2 3.29Å; D691-R695 PolarHBondContact OD2-NH2 2.94Å; D691-N696 PolarHBondContact O-ND2 3.01Å; D691-N696 PolarHBondContact OD2-ND2 3.43Å; D691-L712 HydrophobicContact CB-CD1 4.27Å; D691-P732 WeakPolarHBondContact OD1-CG 3.32Å
692	L	94.8	Very high	91.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.161	C	C	.	.			trans	-82.3	119.6	177.5	-178.1	65.7	0	0	0	110.9	I675 M679 H689 I707 F755 F816	I675-L692 HydrophobicContact CG2-CD1 4.14Å; M679-L692 HydrophobicContact CE-CD2 4.39Å; M679-L692 HydrophobicContact CG-CD1 4.46Å; M679-L692 HydrophobicContact CG-CD2 3.74Å; M679-L692 HydrophobicContact SD-CD1 4.08Å; M679-L692 HydrophobicContact SD-CD2 3.79Å; M679-L692 HydrophobicContact SD-CG 4.45Å; H689-L692 PolarHBondContact ND1-N 2.75Å; L692-I707 HydrophobicContact CD1-CG2 4.42Å; L692-F755 HydrophobicContact CD2-CB 3.71Å; L692-F755 HydrophobicContact CD2-CD2 4.16Å; L692-F755 HydrophobicContact CD2-CG 4.41Å; L692-F816 HydrophobicContact CD2-CZ 4.46Å
693	A	94.5	Very high	91.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-161.7	162	-177.7	0	0	0	0	0	110.8	R695 N696 V697 W735	A693-R695 HydrophobicContact CB-CG 3.86Å; A693-R695 PolarHBondContact O-N 2.83Å; A693-R695 VanDerWaalsContact O-N 3.12Å; A693-N696 PolarHBondContact O-N 2.69Å; A693-V697 PolarHBondContact O-N 2.77Å; A693-W735 VanDerWaalsContact CB-CD1 3.49Å; A693-W735 HydrophobicContact CB-CG 4.23Å; A693-W735 VanDerWaalsContact CB-NE1 3.35Å
694	C	96	Very high	91.5	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-60.5	-26.5	-179.1	-83.5	0	0	0	0	114	L653 N696 C758 E761 M762	L653-C694 HydrophobicContact CB-CB 3.79Å; L653-C694 HydrophobicContact CD1-CB 4.5Å; L653-C694 PolarHBondContact N-O 3.29Å; L653-C694 VanDerWaalsContact N-O 3.15Å; C694-N696 VanDerWaalsContact C-N 3.3Å; C694-N696 PolarHBondContact O-N 2.79Å; C694-C758 PolarHBondContact N-SG 3.46Å; C694-C758 PolarHBondContact SG-O 2.88Å; C694-C758 VanDerWaalsContact SG-SG 3.63Å; C694-E761 HydrophobicContact CB-CB 4.02Å; C694-E761 PolarHBondContact N-OE2 3.37Å; C694-E761 VanDerWaalsContact SG-CB 3.57Å; C694-M762 VanDerWaalsContact SG-CG 3.52Å
695	R	91.7	Very high	91.8	Very high	62 Å²	62	29.6 Å²	29.6	23%	0.234	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-67.7	-26.3	173.6	56.5	166.2	-164.1	-74.7	3.6	114.2	S651 L653 D691 A693	S651-R695 WeakPolarHBondContact CB-O 3.19Å; L653-R695 HydrophobicContact CD2-CB 3.97Å; D691-R695 IonicContact OD1-CZ 2.83Å; D691-R695 IonicContact OD1-NH2 2.65Å; D691-R695 PolarHBondContact OD1-NH2 2.87Å; D691-R695 IonicContact OD2-CZ 3.12Å; D691-R695 IonicContact OD2-NE 3.78Å; D691-R695 IonicContact OD2-NH2 3.29Å; D691-R695 PolarHBondContact OD2-NH2 2.94Å; A693-R695 HydrophobicContact CB-CG 3.86Å; A693-R695 PolarHBondContact O-N 2.83Å; A693-R695 VanDerWaalsContact O-N 3.12Å
696	N	92.5	Very high	92.2	Very high	11 Å²	11	28.8 Å²	28.8	6%	0.059	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-103.1	4.6	-176.9	-65.2	0.4	0	0	0	111.2	D691 A693 C694 S708	D691-N696 PolarHBondContact O-ND2 3.01Å; D691-N696 PolarHBondContact OD2-ND2 3.43Å; A693-N696 PolarHBondContact O-N 2.69Å; C694-N696 VanDerWaalsContact C-N 3.3Å; C694-N696 PolarHBondContact O-N 2.79Å; N696-S708 WeakPolarHBondContact O-CA 3.47Å; N696-S708 WeakPolarHBondContact O-CB 3.34Å; N696-S708 PolarHBondContact O-N 3.05Å; N696-S708 PolarHBondContact O-OG 2.9Å
697	V	96.3	Very high	92.6	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	127.5	165.8	177.9	0	0	0	0	107.6	S651 L652 I675 A693 A705 K706	S651-V697 CarbonylContact C-O 3.54Å; S651-V697 WeakPolarHBondContact CA-O 3.37Å; L652-V697 HydrophobicContact CB-CB 4.1Å; L652-V697 HydrophobicContact CB-CG1 4.04Å; L652-V697 HydrophobicContact CD2-CB 4.24Å; L652-V697 HydrophobicContact CD2-CG1 3.93Å; L652-V697 PolarHBondContact N-O 3Å; I675-V697 HydrophobicContact CD1-CG1 4.09Å; I675-V697 HydrophobicContact CD1-CG2 4Å; I675-V697 HydrophobicContact CG1-CG1 4.06Å; I675-V697 HydrophobicContact CG1-CG2 4.06Å; A693-V697 PolarHBondContact O-N 2.77Å; V697-A705 HydrophobicContact CG1-CB 3.9Å; V697-K706 CarbonylContact C-O 3.52Å; V697-K706 WeakPolarHBondContact CA-O 3.48Å
698	L	95.7	Very high	92.8	Very high	43 Å²	43	23 Å²	23	23%	0.225	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	147.2	177.5	-51.1	-175.6	0	0	0	111.2	V629 A647 G650 A705 K706	V629-L698 HydrophobicContact CG2-CD1 4.11Å; A647-L698 HydrophobicContact CB-CB 3.51Å; A647-L698 HydrophobicContact CB-CD1 4.02Å; A647-L698 HydrophobicContact CB-CG 4.41Å; G650-L698 CarbonylContact O-C 3.56Å; G650-L698 VanDerWaalsContact O-CA 3.29Å; G650-L698 WeakPolarHBondContact O-CA 3.45Å; L698-A705 CarbonylContact O-C 3.58Å; L698-A705 WeakPolarHBondContact O-CA 3.13Å; L698-K706 PolarHBondContact N-O 2.86Å; L698-K706 PolarHBondContact O-N 2.7Å
699	L	95.4	Very high	92.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	111.5	176.3	-70.4	-178.2	0	0	0	110.2	A647 L649 G650 L652 Y655 W671 N701 A705	A647-L699 CarbonylContact C-O 3.56Å; L649-L699 HydrophobicContact CB-CB 3.77Å; L649-L699 WeakPolarHBondContact CB-O 3.41Å; L649-L699 HydrophobicContact CD1-CB 4.36Å; L649-L699 PolarHBondContact N-O 3.06Å; G650-L699 PolarHBondContact O-N 2.77Å; L652-L699 HydrophobicContact CB-CG 4.25Å; L652-L699 HydrophobicContact CD1-CD1 4.02Å; L652-L699 HydrophobicContact CD1-CD2 4.29Å; L652-L699 HydrophobicContact CD1-CG 4.32Å; Y655-L699 HydrophobicContact CD1-CD1 3.74Å; Y655-L699 HydrophobicContact CD2-CD1 4.09Å; Y655-L699 HydrophobicContact CE1-CD1 4.41Å; Y655-L699 HydrophobicContact CG-CD1 3.58Å; W671-L699 HydrophobicContact CD2-CD2 4.38Å; W671-L699 HydrophobicContact CG-CD2 4.44Å; W671-L699 HydrophobicContact CH2-CD1 4.42Å; W671-L699 HydrophobicContact CZ2-CD1 4.03Å; W671-L699 HydrophobicContact CZ2-CD2 4.37Å; L699-N701 VanDerWaalsContact C-N 3.34Å; L699-A705 HydrophobicContact CD2-CB 3.81Å
700	S	90.4	Very high	91.6	Very high	23 Å²	23	24.5 Å²	24.5	16%	0.161	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	-30	174.9	64.7	0	0	0	0	112.3	C704	S700-C704 PolarHBondContact N-O 2.87Å; S700-C704 VanDerWaalsContact OG-CB 3.28Å; S700-C704 WeakPolarHBondContact OG-CB 3.22Å; S700-C704 PolarHBondContact OG-O 3.2Å; S700-C704 PolarHBondContact OG-SG 3.29Å; S700-C704 VanDerWaalsContact OG-SG 3.35Å
701	N	91.6	Very high	90	Very high	69 Å²	69	25 Å²	25	37%	0.369	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	175.1	168.1	59.1	76.1	0	0	0	107.8	L699 S703 C704	L699-N701 VanDerWaalsContact C-N 3.34Å; N701-S703 PolarHBondContact O-N 2.81Å; N701-S703 PolarHBondContact OD1-N 3.27Å; N701-S703 PolarHBondContact OD1-OG 3.28Å; N701-C704 PolarHBondContact O-N 2.91Å; N701-C704 PolarHBondContact OD1-N 2.94Å
702	H	88.3	Confident	88.5	Confident	105 Å²	105	26 Å²	26	49%	0.486	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-31.4	-175.8	-55.1	-65.2	0	0	0	114.1	L649 Y655 W671	L649-H702 WeakPolarHBondContact CD1-ND1 3.07Å; Y655-H702 AromaticContact CE2-ND1 3.94Å; Y655-H702 AromaticContact CZ-ND1 3.61Å; Y655-H702 PolarHBondContact OH-CE1 3.2Å; Y655-H702 VanDerWaalsContact OH-CE1 3.25Å; Y655-H702 PolarHBondContact OH-ND1 3.3Å; W671-H702 WeakPolarHBondContact CZ2-O 3.39Å; W671-H702 PolarHBondContact NE1-O 3.32Å
703	S	87.9	Confident	86.6	Confident	76 Å²	76	26.3 Å²	26.3	53%	0.531	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	0.9	-179.2	58.5	0	0	0	0	115.3	N670 Q674 N701	N670-S703 PolarHBondContact ND2-O 3.48Å; N670-S703 VanDerWaalsContact ND2-O 3.12Å; Q674-S703 PolarHBondContact NE2-O 2.68Å; Q674-S703 PolarHBondContact OE1-O 3.47Å; N701-S703 PolarHBondContact O-N 2.81Å; N701-S703 PolarHBondContact OD1-N 3.27Å; N701-S703 PolarHBondContact OD1-OG 3.28Å
704	C	94	Very high	84.8	Confident	25 Å²	25	30.3 Å²	30.3	17%	0.169	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	102.9	-171.8	-174.7	0	0	0	0	114.1	Q674 S700 N701	Q674-C704 VanDerWaalsContact OE1-CA 3.31Å; S700-C704 PolarHBondContact N-O 2.87Å; S700-C704 VanDerWaalsContact OG-CB 3.28Å; S700-C704 WeakPolarHBondContact OG-CB 3.22Å; S700-C704 PolarHBondContact OG-O 3.2Å; S700-C704 PolarHBondContact OG-SG 3.29Å; S700-C704 VanDerWaalsContact OG-SG 3.35Å; N701-C704 PolarHBondContact O-N 2.91Å; N701-C704 PolarHBondContact OD1-N 2.94Å
705	A	97.2	Very high	82.4	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	149.2	172.3	0	0	0	0	0	112.5	H627 W671 V697 L698 L699	H627-A705 PolarHBondContact ND1-O 3.39Å; W671-A705 HydrophobicContact CB-CB 4.4Å; W671-A705 HydrophobicContact CG-CB 4.36Å; V697-A705 HydrophobicContact CG1-CB 3.9Å; L698-A705 CarbonylContact O-C 3.58Å; L698-A705 WeakPolarHBondContact O-CA 3.13Å; L699-A705 HydrophobicContact CD2-CB 3.81Å
706	K	97.2	Very high	80.4	Confident	23 Å²	23	31.1 Å²	31.1	10%	0.1	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	136.7	-179.5	-62.6	-168.3	168.2	-134.4	0	112.4	P626 H627 V629 E645 V697 L698	P626-K706 WeakPolarHBondContact O-CE 3.26Å; P626-K706 PolarHBondContact O-NZ 3.31Å; H627-K706 WeakPolarHBondContact O-CA 3.28Å; V629-K706 HydrophobicContact CG2-CB 3.85Å; E645-K706 IonicContact OE1-NZ 2.78Å; E645-K706 PolarHBondContact OE1-NZ 3.45Å; E645-K706 VanDerWaalsContact OE2-CE 3.3Å; E645-K706 WeakPolarHBondContact OE2-CE 3.31Å; E645-K706 IonicContact OE2-NZ 3.76Å; E645-K706 PolarHBondContact OE2-NZ 3.07Å; V697-K706 CarbonylContact C-O 3.52Å; V697-K706 WeakPolarHBondContact CA-O 3.48Å; L698-K706 PolarHBondContact N-O 2.86Å; L698-K706 PolarHBondContact O-N 2.7Å
707	I	96.1	Very high	77.8	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	140.7	178.3	-57.5	170.1	0	0	0	110.6	H627 I628 V629 I675 M679 H689 L692 F710	H627-I707 PolarHBondContact O-N 3.09Å; I628-I707 HydrophobicContact CG1-CB 4.48Å; V629-I707 PolarHBondContact N-O 3.16Å; I675-I707 HydrophobicContact CG2-CD1 4.33Å; I675-I707 HydrophobicContact CG2-CG1 4.47Å; M679-I707 HydrophobicContact CG-CD1 3.76Å; M679-I707 HydrophobicContact SD-CD1 3.82Å; H689-I707 WeakPolarHBondContact NE2-CG2 3.34Å; L692-I707 HydrophobicContact CD1-CG2 4.42Å; I707-F710 HydrophobicContact CG2-CZ 4.22Å
708	S	90.7	Very high	75.1	Confident	12 Å²	12	39 Å²	39	8%	0.084	24%	0.235	C	C	.	.			trans	-149.9	176.5	-171.5	76.8	0	0	0	0	113.8	H689 N696	H689-S708 PolarHBondContact CE1-O 3.44Å; H689-S708 PolarHBondContact NE2-O 3.07Å; N696-S708 WeakPolarHBondContact O-CA 3.47Å; N696-S708 WeakPolarHBondContact O-CB 3.34Å; N696-S708 PolarHBondContact O-N 3.05Å; N696-S708 PolarHBondContact O-OG 2.9Å
709	D	79.9	Confident	72.3	Confident	36 Å²	36	46.4 Å²	46.4	19%	0.193	27%	0.268	C	S	.	.			trans	60.1	68.1	179.4	-147.5	20.7	0	0	0	113.8	K602 G711	K602-D709 IonicContact NZ-OD1 2.75Å; K602-D709 PolarHBondContact NZ-OD1 3.16Å; D709-G711 PolarHBondContact O-N 3.48Å; D709-G711 VanDerWaalsContact O-N 3.13Å
710	F	75	Confident	69.7	Low	2 Å²	2	48.4 Å²	48.4	1%	0.009	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-80.5	16	-177.5	-68.8	-96	0	0	0	112.9	E616 M620 L623 I628 L682 H689 I707 L712 S713	E616-F710 HydrophobicContact CG-CB 3.97Å; E616-F710 PolarHBondContact OE1-N 3.36Å; M620-F710 HydrophobicContact CE-CD2 3.97Å; M620-F710 HydrophobicContact CE-CE2 4.25Å; M620-F710 HydrophobicContact CG-CB 4.04Å; M620-F710 HydrophobicContact CG-CD2 3.62Å; M620-F710 HydrophobicContact CG-CE2 4.36Å; M620-F710 HydrophobicContact CG-CG 4Å; M620-F710 HydrophobicContact SD-CB 4.47Å; M620-F710 HydrophobicContact SD-CD2 3.86Å; L623-F710 HydrophobicContact CD1-CD1 4.02Å; L623-F710 HydrophobicContact CD1-CE1 3.64Å; L623-F710 HydrophobicContact CD1-CZ 3.98Å; I628-F710 HydrophobicContact CG2-CE2 3.9Å; I628-F710 HydrophobicContact CG2-CZ 3.74Å; L682-F710 HydrophobicContact CD1-CE1 3.93Å; L682-F710 HydrophobicContact CD1-CZ 4.37Å; L682-F710 HydrophobicContact CD2-CE1 3.89Å; L682-F710 HydrophobicContact CD2-CZ 4.48Å; H689-F710 AromaticContact CD2-CD1 3.86Å; H689-F710 AromaticContact CD2-CE1 3.58Å; H689-F710 AromaticContact NE2-CE1 3.97Å; I707-F710 HydrophobicContact CG2-CZ 4.22Å; F710-L712 VanDerWaalsContact C-N 3.26Å; F710-L712 PolarHBondContact O-N 2.79Å; F710-S713 VanDerWaalsContact CA-OG 3.31Å; F710-S713 WeakPolarHBondContact CA-OG 3.45Å; F710-S713 WeakPolarHBondContact CD1-OG 2.87Å; F710-S713 VanDerWaalsContact O-CB 3.32Å; F710-S713 WeakPolarHBondContact O-CB 3.43Å; F710-S713 PolarHBondContact O-N 3.36Å; F710-S713 PolarHBondContact O-OG 3.29Å
711	G	56.9	Low	67.5	Low	19 Å²	19	52.6 Å²	52.6	20%	0.196	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-56.7	-34.1	-174.5	0	0	0	0	0	114.6	D709	D709-G711 PolarHBondContact O-N 3.48Å; D709-G711 VanDerWaalsContact O-N 3.13Å
712	L	55.6	Low	65	Low	38 Å²	38	54.7 Å²	54.7	20%	0.199	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-91.8	-10.3	173.7	-62.1	-172.3	0	0	0	113.8	R690 D691 F710	R690-L712 HydrophobicContact CB-CB 4.14Å; R690-L712 VanDerWaalsContact CD-O 3.3Å; R690-L712 WeakPolarHBondContact CD-O 3.29Å; R690-L712 PolarHBondContact NH1-O 2.84Å; D691-L712 HydrophobicContact CB-CD1 4.27Å; F710-L712 VanDerWaalsContact C-N 3.26Å; F710-L712 PolarHBondContact O-N 2.79Å
713	S	56.4	Low	62.8	Low	7 Å²	7	51.9 Å²	51.9	5%	0.049	29%	0.292	C	S	.	.			trans	-68.9	154.8	-171.3	-51.8	0	0	0	0	113.6	V688 H689 F710	V688-S713 WeakPolarHBondContact O-CA 3.39Å; V688-S713 WeakPolarHBondContact O-CB 3.47Å; H689-S713 WeakPolarHBondContact O-CA 3.43Å; H689-S713 PolarHBondContact O-OG 3.05Å; F710-S713 VanDerWaalsContact CA-OG 3.31Å; F710-S713 WeakPolarHBondContact CA-OG 3.45Å; F710-S713 WeakPolarHBondContact CD1-OG 2.87Å; F710-S713 VanDerWaalsContact O-CB 3.32Å; F710-S713 WeakPolarHBondContact O-CB 3.43Å; F710-S713 PolarHBondContact O-N 3.36Å; F710-S713 PolarHBondContact O-OG 3.29Å
714	R	56.4	Low	60.7	Low	85 Å²	85	53.5 Å²	53.5	32%	0.321	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	147	171.7	-65.7	-167.3	-177.2	-151.5	0.6	111.5	V688 Y723	V688-R714 PolarHBondContact N-O 2.88Å; V688-R714 VanDerWaalsContact N-O 3.11Å; V688-R714 PolarHBondContact O-N 2.81Å; R714-Y723 PolarHBondContact NH1-OH 3.37Å; R714-Y723 VanDerWaalsContact NH1-OH 3.1Å
715	A	45.5	Very low	58.2	Low	60 Å²	60	52.7 Å²	52.7	50%	0.496	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	143.4	161.7	0	0	0	0	0	109.7	R686 F687	R686-A715 WeakPolarHBondContact O-CA 3.47Å; F687-A715 HydrophobicContact CD1-CB 4.32Å; F687-A715 HydrophobicContact CE1-CB 3.8Å; F687-A715 VanDerWaalsContact CE1-N 3.35Å; F687-A715 HydrophobicContact CE2-CB 4.23Å; F687-A715 HydrophobicContact CZ-CB 3.77Å
716	V	49.4	Very low	55.3	Low	19 Å²	19	58.1 Å²	58.1	12%	0.115	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-92.2	147.6	174.5	-129.7	0	0	0	0	111.2	R686 V688 S720 Y722	R686-V716 WeakPolarHBondContact O-CG2 3.15Å; R686-V716 PolarHBondContact O-N 3.3Å; V688-V716 HydrophobicContact CG2-CG2 3.67Å; V716-S720 WeakPolarHBondContact CG1-O 3.12Å; V716-Y722 VanDerWaalsContact CG1-C 3.46Å
717	G	37.1	Very low	52.5	Low	37 Å²	37	62.3 Å²	62.3	38%	0.381	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-67.7	153.7	-176.4	0	0	0	0	0	112.9	E719 S720	G717-E719 PolarHBondContact O-N 3.32Å; G717-E719 VanDerWaalsContact O-N 3.1Å; G717-S720 PolarHBondContact O-N 3.28Å; G717-S720 VanDerWaalsContact O-N 3.12Å; G717-S720 VanDerWaalsContact O-O 3.07Å
718	V	41.2	Very low	49.7	Very low	138 Å²	138	73.4 Å²	73.4	84%	0.836	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-28.7	178.9	179.7	0	0	0	0	112.3
719	E	37.1	Very low	47.4	Very low	199 Å²	199	74.8 Å²	74.8	93%	0.93	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	4.1	-176.4	-56.8	-179.8	158.9	0	0	114	G717	G717-E719 PolarHBondContact O-N 3.32Å; G717-E719 VanDerWaalsContact O-N 3.1Å
720	S	39	Very low	45.9	Very low	43 Å²	43	77.6 Å²	77.6	30%	0.301	41%	0.406	S	S	.	.			trans	-155.5	124.5	-172.5	63.8	0	0	0	0	113.7	V716 G717 Y722	V716-S720 WeakPolarHBondContact CG1-O 3.12Å; G717-S720 PolarHBondContact O-N 3.28Å; G717-S720 VanDerWaalsContact O-N 3.12Å; G717-S720 VanDerWaalsContact O-O 3.07Å; S720-Y722 PolarHBondContact O-N 3.2Å
721	D	45.7	Very low	45.4	Very low	110 Å²	110	81.3 Å²	81.3	59%	0.588	42%	0.42	S	S	*	.	S	Bend	trans	-85.6	16.6	177.8	-49.6	-58.8	0	0	0	113.8	R686 S747	R686-D721 IonicContact NH1-OD1 3.92Å; D721-S747 WeakPolarHBondContact O-CB 3.45Å
722	Y	37.4	Very low	46.4	Very low	114 Å²	114	81.6 Å²	81.6	45%	0.447	42%	0.418	S	S	.	.			trans	-144.7	155.5	174.1	71.2	-88.3	0	0	0	113.6	V716 S720 K724 T745 F746	V716-Y722 VanDerWaalsContact CG1-C 3.46Å; S720-Y722 PolarHBondContact O-N 3.2Å; Y722-K724 HydrophobicContact CD2-CG 4.26Å; Y722-K724 HydrophobicContact CE2-CD 4.12Å; Y722-K724 HydrophobicContact CE2-CG 4.11Å; Y722-T745 HydrophobicContact CD2-CG2 3.99Å; Y722-T745 HydrophobicContact CG-CG2 4.07Å; Y722-F746 CarbonylContact C-O 3.58Å; Y722-F746 WeakPolarHBondContact CA-O 3.42Å
723	Y	42.5	Very low	47.7	Very low	46 Å²	46	80.9 Å²	80.9	18%	0.18	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	145.8	172.7	172.3	-108.5	0	0	0	111.9	R714 A725 T726 T745 F746	R714-Y723 PolarHBondContact NH1-OH 3.37Å; R714-Y723 VanDerWaalsContact NH1-OH 3.1Å; Y723-A725 HydrophobicContact CE1-CB 4.03Å; Y723-T726 PolarHBondContact OH-N 3.5Å; Y723-T745 CarbonylContact O-C 3.48Å; Y723-T745 WeakPolarHBondContact O-CA 3.47Å; Y723-F746 PolarHBondContact N-O 3.38Å; Y723-F746 PolarHBondContact O-N 3.26Å
724	K	43.9	Very low	49.3	Very low	109 Å²	109	81.7 Å²	81.7	47%	0.474	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	116.4	175.1	-80.5	180	175.2	168.9	0	112.7	Y722 T726 K744	Y722-K724 HydrophobicContact CD2-CG 4.26Å; Y722-K724 HydrophobicContact CE2-CD 4.12Å; Y722-K724 HydrophobicContact CE2-CG 4.11Å; K724-T726 PolarHBondContact O-N 3.29Å; K724-K744 WeakPolarHBondContact CA-O 3.31Å
725	A	42.8	Very low	51.1	Low	8 Å²	8	78.4 Å²	78.4	7%	0.066	41%	0.406	C	S	.	.			trans	-71.5	118	-172	0	0	0	0	0	114.7	Y723 W731 K744 F746	Y723-A725 HydrophobicContact CE1-CB 4.03Å; A725-W731 HydrophobicContact CB-CH2 4.2Å; A725-K744 HydrophobicContact CB-CB 4.21Å; A725-K744 HydrophobicContact CB-CD 4.28Å; A725-K744 PolarHBondContact N-O 3.08Å; A725-K744 WeakPolarHBondContact O-CD 3.43Å; A725-K744 PolarHBondContact O-NZ 3.47Å; A725-F746 HydrophobicContact CB-CD2 4.26Å; A725-F746 HydrophobicContact CB-CE2 3.74Å
726	T	35.4	Very low	53.3	Low	115 Å²	115	75.7 Å²	75.7	71%	0.706	38%	0.383	S	S	*	.			trans	-79.4	-28.8	-177.2	49.9	0	0	0	0	114.3	Y723 K724	Y723-T726 PolarHBondContact OH-N 3.5Å; K724-T726 PolarHBondContact O-N 3.29Å
727	Q	39	Very low	55.4	Low	111 Å²	111	74.8 Å²	74.8	52%	0.519	38%	0.377	S	S	.	.	S	Bend	trans	-81.1	173.3	-176.7	-71.9	166.5	-31	0	0	113.6	K744	Q727-K744 PolarHBondContact O-NZ 3.02Å
728	R	35.9	Very low	58	Low	234 Å²	234	73.2 Å²	73.2	88%	0.883	36%	0.361	S	S	*	.			trans	-119.2	92.5	168.7	-73	-177.8	174.3	180	-1.6	108.7
729	G	43	Very low	60.4	Low	41 Å²	41	67.4 Å²	67.4	42%	0.423	32%	0.324	S	S	.	.			trans	-100.3	-172.3	174.3	0	0	0	0	0	112.6
730	K	48.6	Very low	62.9	Low	95 Å²	95	58.3 Å²	58.3	41%	0.413	28%	0.282	S	S	.	.			trans	-86.7	120.2	159.9	-76.1	-162.5	179.8	179.9	0	109.2	N913 L914 V915	K730-N913 HydrophobicContact CD-CB 4.38Å; K730-N913 VanDerWaalsContact CD-O 3.29Å; K730-N913 WeakPolarHBondContact CD-O 3.49Å; K730-N913 VanDerWaalsContact CE-O 3.29Å; K730-N913 WeakPolarHBondContact CE-O 3.38Å; K730-N913 PolarHBondContact NZ-O 3Å; K730-N913 PolarHBondContact NZ-OD1 3.12Å; K730-L914 WeakPolarHBondContact CE-O 3.11Å; K730-L914 PolarHBondContact NZ-O 3.41Å; K730-V915 HydrophobicContact CD-CB 4.48Å; K730-V915 HydrophobicContact CD-CG2 4.42Å; K730-V915 HydrophobicContact CG-CB 4.18Å; K730-V915 HydrophobicContact CG-CG2 4.22Å
731	W	64.7	Low	64.9	Low	80 Å²	80	58.3 Å²	58.3	30%	0.303	28%	0.279	S	S	.	.			trans	-93.7	134.5	178.6	-50.5	116.3	0	0	0	109.6	A725 V733 Y736	A725-W731 HydrophobicContact CB-CH2 4.2Å; W731-V733 HydrophobicContact CB-CG2 4.25Å; W731-V733 WeakPolarHBondContact O-CG2 3.16Å; W731-V733 PolarHBondContact O-N 3.48Å; W731-Y736 HydrophobicContact CB-CD2 4.07Å; W731-Y736 HydrophobicContact CB-CE2 3.78Å; W731-Y736 HydrophobicContact CD2-CE2 4.09Å; W731-Y736 AromaticContact CE3-CE2 3.69Å; W731-Y736 HydrophobicContact CE3-CE2 3.69Å; W731-Y736 HydrophobicContact CG-CE2 4.17Å
732	P	77.7	Confident	66.6	Low	24 Å²	24	57.4 Å²	57.4	16%	0.156	27%	0.268	C	S	.	.			trans	-75.6	67.3	170.2	28.7	-28.8	0	0	0	109.6	D691 K734 W735 Y736	D691-P732 WeakPolarHBondContact OD1-CG 3.32Å; P732-K734 PolarHBondContact O-N 2.96Å; P732-W735 HydrophobicContact CB-CE3 3.92Å; P732-W735 PolarHBondContact O-N 3.4Å; P732-Y736 HydrophobicContact CG-CD1 4.15Å; P732-Y736 HydrophobicContact CG-CE1 3.63Å
733	V	82.6	Confident	68.8	Low	23 Å²	23	59.3 Å²	59.3	14%	0.139	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-46.6	-37.8	-167.9	-175.9	0	0	0	0	113.5	W731 W735 Y736 I741	W731-V733 HydrophobicContact CB-CG2 4.25Å; W731-V733 WeakPolarHBondContact O-CG2 3.16Å; W731-V733 PolarHBondContact O-N 3.48Å; V733-W735 VanDerWaalsContact C-N 3.25Å; V733-W735 PolarHBondContact O-N 3.38Å; V733-Y736 PolarHBondContact O-N 3.26Å; V733-I741 HydrophobicContact CG1-CD1 3.76Å; V733-I741 HydrophobicContact CG1-CG1 4.36Å
734	K	90.1	Very high	70.5	Confident	24 Å²	24	60.3 Å²	60.3	10%	0.104	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-67.9	-18.4	-177.6	-61.7	-175.8	170.8	-170.4	0	114.9	P732 H768 P769 Y770 Q773 V778	P732-K734 PolarHBondContact O-N 2.96Å; K734-H768 PolarHBondContact NZ-CD2 2.94Å; K734-H768 PolarHBondContact NZ-NE2 3.34Å; K734-P769 HydrophobicContact CB-CG 4.45Å; K734-P769 VanDerWaalsContact CD-O 3.27Å; K734-P769 WeakPolarHBondContact CD-O 3.38Å; K734-P769 PolarHBondContact NZ-O 3.44Å; K734-P769 VanDerWaalsContact NZ-O 3.15Å; K734-Y770 HydrophobicContact CB-CD2 4.31Å; K734-Y770 HydrophobicContact CG-CD2 4.42Å; K734-Y770 PolarHBondContact NZ-O 3.16Å; K734-Q773 WeakPolarHBondContact CE-O 3.17Å; K734-Q773 PolarHBondContact NZ-O 2.97Å; K734-V778 HydrophobicContact CG-CG2 4.44Å
735	W	93.6	Very high	72.3	Confident	16 Å²	16	56.2 Å²	56.2	6%	0.061	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-98.1	-11.4	172.6	-68.5	-101	0	0	0	112.4	A693 P732 V733 S754 I757 E761 H768 P769	A693-W735 VanDerWaalsContact CB-CD1 3.49Å; A693-W735 HydrophobicContact CB-CG 4.23Å; A693-W735 VanDerWaalsContact CB-NE1 3.35Å; P732-W735 HydrophobicContact CB-CE3 3.92Å; P732-W735 PolarHBondContact O-N 3.4Å; V733-W735 VanDerWaalsContact C-N 3.25Å; V733-W735 PolarHBondContact O-N 3.38Å; W735-S754 WeakPolarHBondContact O-CA 3.48Å; W735-S754 PolarHBondContact O-OG 3.31Å; W735-S754 VanDerWaalsContact O-OG 3.08Å; W735-I757 VanDerWaalsContact CD1-CG2 3.43Å; W735-I757 HydrophobicContact CD2-CG2 4.34Å; W735-I757 HydrophobicContact CG-CB 4.45Å; W735-I757 HydrophobicContact CG-CG2 3.91Å; W735-E761 WeakPolarHBondContact CZ2-OE1 3.43Å; W735-E761 PolarHBondContact NE1-OE2 3.48Å; W735-H768 AromaticContact CH2-CE1 3.87Å; W735-P769 HydrophobicContact CH2-CG 3.98Å; W735-P769 HydrophobicContact CZ2-CG 3.68Å
736	Y	91.8	Very high	74.4	Confident	3 Å²	3	56 Å²	56	1%	0.012	26%	0.262	C	S	.	.	S	Bend	trans	-88.6	141.9	-172.4	-81.7	14.4	0	0	0	112.6	R690 W731 P732 V733 I741 F746 W753	R690-Y736 WeakPolarHBondContact O-CE1 3.39Å; R690-Y736 PolarHBondContact O-OH 2.91Å; W731-Y736 HydrophobicContact CB-CD2 4.07Å; W731-Y736 HydrophobicContact CB-CE2 3.78Å; W731-Y736 HydrophobicContact CD2-CE2 4.09Å; W731-Y736 AromaticContact CE3-CE2 3.69Å; W731-Y736 HydrophobicContact CE3-CE2 3.69Å; W731-Y736 HydrophobicContact CG-CE2 4.17Å; P732-Y736 HydrophobicContact CG-CD1 4.15Å; P732-Y736 HydrophobicContact CG-CE1 3.63Å; V733-Y736 PolarHBondContact O-N 3.26Å; Y736-I741 HydrophobicContact CD2-CG1 4.41Å; Y736-F746 HydrophobicContact CD2-CE1 4.15Å; Y736-F746 HydrophobicContact CD2-CZ 4.25Å; Y736-F746 HydrophobicContact CE1-CE1 4.31Å; Y736-F746 AromaticContact CE2-CE1 3.58Å; Y736-F746 HydrophobicContact CE2-CE1 3.58Å; Y736-F746 AromaticContact CE2-CZ 3.61Å; Y736-F746 HydrophobicContact CE2-CZ 3.61Å; Y736-F746 AromaticContact CZ-CE1 3.64Å; Y736-W753 PolarHBondContact O-NE1 3.2Å; Y736-W753 VanDerWaalsContact O-NE1 3.15Å
737	A	94.5	Very high	77.1	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	23%	0.234	C	C	.	.			trans	-69.9	153.7	171.8	0	0	0	0	0	111.9	E739 S740 I741 W753	A737-E739 VanDerWaalsContact C-N 3.28Å; A737-E739 VanDerWaalsContact CB-CD 3.47Å; A737-E739 WeakPolarHBondContact CB-OE1 3.5Å; A737-E739 WeakPolarHBondContact CB-OE2 3.42Å; A737-E739 PolarHBondContact O-N 3.13Å; A737-S740 WeakPolarHBondContact O-CA 3.35Å; A737-S740 WeakPolarHBondContact O-CB 3.31Å; A737-S740 PolarHBondContact O-N 3.38Å; A737-I741 PolarHBondContact O-N 3.49Å; A737-W753 HydrophobicContact CB-CB 3.75Å; A737-W753 HydrophobicContact CB-CD2 3.99Å; A737-W753 HydrophobicContact CB-CE3 4.37Å; A737-W753 HydrophobicContact CB-CG 3.7Å
738	P	91.3	Very high	79.7	Confident	5 Å²	5	47.4 Å²	47.4	3%	0.032	22%	0.216	C	C	.	.	H	α-helix	trans	-52.7	-41.9	-179.7	-28.4	36	0	0	0	113.8	S740 I741 Y742 W753 I782 Y808	P738-S740 VanDerWaalsContact C-N 3.3Å; P738-S740 PolarHBondContact O-N 2.97Å; P738-I741 PolarHBondContact O-N 3.31Å; P738-I741 VanDerWaalsContact O-N 3.15Å; P738-Y742 HydrophobicContact CB-CD2 4.4Å; P738-Y742 WeakPolarHBondContact O-CD2 3.24Å; P738-Y742 PolarHBondContact O-N 3.13Å; P738-W753 HydrophobicContact CG-CH2 4.04Å; P738-W753 HydrophobicContact CG-CZ3 4.14Å; P738-I782 HydrophobicContact CG-CG2 3.78Å; P738-Y808 HydrophobicContact CB-CE2 4Å; P738-Y808 HydrophobicContact CG-CD2 4.06Å; P738-Y808 HydrophobicContact CG-CE2 3.9Å
739	E	91.1	Very high	82.7	Confident	16 Å²	16	37.4 Å²	37.4	8%	0.075	18%	0.183	C	C	.	.	H	α-helix	trans	-68.2	-28.1	179.3	72.2	-75.4	179.1	0	0	113.5	A737 I741 Y743 K744 T745 P810 R813	A737-E739 VanDerWaalsContact C-N 3.28Å; A737-E739 VanDerWaalsContact CB-CD 3.47Å; A737-E739 WeakPolarHBondContact CB-OE1 3.5Å; A737-E739 WeakPolarHBondContact CB-OE2 3.42Å; A737-E739 PolarHBondContact O-N 3.13Å; E739-I741 VanDerWaalsContact C-N 3.31Å; E739-Y743 HydrophobicContact CB-CD2 3.99Å; E739-Y743 CarbonylContact O-C 3.6Å; E739-Y743 WeakPolarHBondContact O-CA 3.45Å; E739-Y743 WeakPolarHBondContact O-CB 3.37Å; E739-Y743 PolarHBondContact O-N 3.33Å; E739-K744 PolarHBondContact O-N 2.91Å; E739-K744 VanDerWaalsContact O-N 3.11Å; E739-T745 HydrophobicContact CG-CG2 4.37Å; E739-T745 PolarHBondContact O-N 2.98Å; E739-P810 HydrophobicContact CG-CG 4.12Å; E739-R813 IonicContact OE1-CZ 3.45Å; E739-R813 IonicContact OE1-NH1 2.65Å; E739-R813 PolarHBondContact OE1-NH1 2.82Å; E739-R813 IonicContact OE1-NH2 2.77Å; E739-R813 PolarHBondContact OE1-NH2 2.73Å; E739-R813 IonicContact OE2-CZ 3.54Å; E739-R813 IonicContact OE2-NH1 2.71Å; E739-R813 IonicContact OE2-NH2 3.48Å; E739-R813 PolarHBondContact OE2-NH2 3.06Å
740	S	90	Very high	85.2	Confident	7 Å²	7	35.5 Å²	35.5	5%	0.049	16%	0.164	C	C	.	.	H	α-helix	trans	-74.7	-21.9	173.9	-53.3	0	0	0	0	112.9	A737 P738 K744 T745 S750	A737-S740 WeakPolarHBondContact O-CA 3.35Å; A737-S740 WeakPolarHBondContact O-CB 3.31Å; A737-S740 PolarHBondContact O-N 3.38Å; P738-S740 VanDerWaalsContact C-N 3.3Å; P738-S740 PolarHBondContact O-N 2.97Å; S740-K744 WeakPolarHBondContact O-CA 3.32Å; S740-T745 WeakPolarHBondContact CA-O 3.43Å; S740-T745 WeakPolarHBondContact CB-O 3.33Å; S740-T745 PolarHBondContact N-O 3.03Å; S740-T745 PolarHBondContact OG-O 3.07Å; S740-S750 VanDerWaalsContact OG-CB 3.24Å; S740-S750 WeakPolarHBondContact OG-CB 3.46Å
741	I	82.3	Confident	87.4	Confident	44 Å²	44	31 Å²	31	23%	0.226	14%	0.144	C	C	.	.	H	α-helix	trans	-91.3	-51	177.7	-56.6	160.4	0	0	0	110.3	V733 Y736 A737 P738 E739 L779	V733-I741 HydrophobicContact CG1-CD1 3.76Å; V733-I741 HydrophobicContact CG1-CG1 4.36Å; Y736-I741 HydrophobicContact CD2-CG1 4.41Å; A737-I741 PolarHBondContact O-N 3.49Å; P738-I741 PolarHBondContact O-N 3.31Å; P738-I741 VanDerWaalsContact O-N 3.15Å; E739-I741 VanDerWaalsContact C-N 3.31Å; I741-L779 HydrophobicContact CB-CD2 4.33Å; I741-L779 HydrophobicContact CD1-CD2 3.67Å; I741-L779 HydrophobicContact CG2-CD1 3.99Å; I741-L779 HydrophobicContact CG2-CD2 3.99Å
742	Y	81.3	Confident	89	Confident	91 Å²	91	27.2 Å²	27.2	36%	0.357	13%	0.13	S	C	.	.	H	α-helix	trans	-78.5	-47.5	-175.8	-68.3	-51.5	0	0	0	114.2	P738 L779 E783	P738-Y742 HydrophobicContact CB-CD2 4.4Å; P738-Y742 WeakPolarHBondContact O-CD2 3.24Å; P738-Y742 PolarHBondContact O-N 3.13Å; Y742-L779 HydrophobicContact CE2-CD2 4.22Å; Y742-E783 WeakPolarHBondContact CE2-OE1 3.11Å; Y742-E783 PolarHBondContact OH-OE1 2.89Å
743	Y	82.1	Confident	90	Very high	154 Å²	154	26.1 Å²	26.1	60%	0.604	12%	0.123	S	C	*	.	S	Bend	trans	-102.8	-2.7	-174.4	-47.8	-54	0	0	0	112.7	E739 T745	E739-Y743 HydrophobicContact CB-CD2 3.99Å; E739-Y743 CarbonylContact O-C 3.6Å; E739-Y743 WeakPolarHBondContact O-CA 3.45Å; E739-Y743 WeakPolarHBondContact O-CB 3.37Å; E739-Y743 PolarHBondContact O-N 3.33Å; Y743-T745 WeakPolarHBondContact CB-OG1 3.39Å; Y743-T745 PolarHBondContact O-N 3.05Å
744	K	77.9	Confident	90.7	Very high	66 Å²	66	25.2 Å²	25.2	29%	0.287	12%	0.117	S	C	.	.			trans	54.3	28	-170.8	-53.8	-170.7	-175.9	-174.4	0	113.5	K724 A725 Q727 E739 S740 F746	K724-K744 WeakPolarHBondContact CA-O 3.31Å; A725-K744 HydrophobicContact CB-CB 4.21Å; A725-K744 HydrophobicContact CB-CD 4.28Å; A725-K744 PolarHBondContact N-O 3.08Å; A725-K744 WeakPolarHBondContact O-CD 3.43Å; A725-K744 PolarHBondContact O-NZ 3.47Å; Q727-K744 PolarHBondContact O-NZ 3.02Å; E739-K744 PolarHBondContact O-N 2.91Å; E739-K744 VanDerWaalsContact O-N 3.11Å; S740-K744 WeakPolarHBondContact O-CA 3.32Å; K744-F746 WeakPolarHBondContact O-CD2 3.33Å; K744-F746 WeakPolarHBondContact O-CE2 3.17Å
745	T	83.3	Confident	91.1	Very high	23 Å²	23	24.1 Å²	24.1	14%	0.141	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	124	-178.2	-59.9	0	0	0	0	109.5	Y722 Y723 E739 S740 Y743	Y722-T745 HydrophobicContact CD2-CG2 3.99Å; Y722-T745 HydrophobicContact CG-CG2 4.07Å; Y723-T745 CarbonylContact O-C 3.48Å; Y723-T745 WeakPolarHBondContact O-CA 3.47Å; E739-T745 HydrophobicContact CG-CG2 4.37Å; E739-T745 PolarHBondContact O-N 2.98Å; S740-T745 WeakPolarHBondContact CA-O 3.43Å; S740-T745 WeakPolarHBondContact CB-O 3.33Å; S740-T745 PolarHBondContact N-O 3.03Å; S740-T745 PolarHBondContact OG-O 3.07Å; Y743-T745 WeakPolarHBondContact CB-OG1 3.39Å; Y743-T745 PolarHBondContact O-N 3.05Å
746	F	86.6	Confident	91.3	Very high	3 Å²	3	23.3 Å²	23.3	1%	0.013	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126.1	175.3	-64.6	-90.1	0	0	0	109.4	V688 R690 Y722 Y723 A725 Y736 K744	V688-F746 HydrophobicContact CG1-CB 4.13Å; R690-F746 HydrophobicContact CB-CD1 3.99Å; R690-F746 HydrophobicContact CB-CE1 4.35Å; R690-F746 HydrophobicContact CG-CB 3.91Å; R690-F746 HydrophobicContact CG-CD1 3.69Å; R690-F746 HydrophobicContact CG-CE1 4.48Å; R690-F746 HydrophobicContact CG-CG 3.94Å; R690-F746 VanDerWaalsContact NE-CD1 3.26Å; R690-F746 VanDerWaalsContact NE-CD2 3.29Å; Y722-F746 CarbonylContact C-O 3.58Å; Y722-F746 WeakPolarHBondContact CA-O 3.42Å; Y723-F746 PolarHBondContact N-O 3.38Å; Y723-F746 PolarHBondContact O-N 3.26Å; A725-F746 HydrophobicContact CB-CD2 4.26Å; A725-F746 HydrophobicContact CB-CE2 3.74Å; Y736-F746 HydrophobicContact CD2-CE1 4.15Å; Y736-F746 HydrophobicContact CD2-CZ 4.25Å; Y736-F746 HydrophobicContact CE1-CE1 4.31Å; Y736-F746 AromaticContact CE2-CE1 3.58Å; Y736-F746 HydrophobicContact CE2-CE1 3.58Å; Y736-F746 AromaticContact CE2-CZ 3.61Å; Y736-F746 HydrophobicContact CE2-CZ 3.61Å; Y736-F746 AromaticContact CZ-CE1 3.64Å; K744-F746 WeakPolarHBondContact O-CD2 3.33Å; K744-F746 WeakPolarHBondContact O-CE2 3.17Å
747	S	92	Very high	91.6	Very high	18 Å²	18	23.2 Å²	23.2	13%	0.126	11%	0.109	C	C	.	.			trans	-149.6	172.4	-178.9	64	0	0	0	0	109.9	D721 A749 S750 D751	D721-S747 WeakPolarHBondContact O-CB 3.45Å; S747-A749 PolarHBondContact O-N 3.41Å; S747-S750 PolarHBondContact N-OG 2.87Å; S747-S750 WeakPolarHBondContact O-CA 3.35Å; S747-S750 WeakPolarHBondContact O-CB 3.29Å; S747-S750 PolarHBondContact O-N 2.88Å; S747-S750 PolarHBondContact O-OG 2.97Å; S747-D751 PolarHBondContact O-N 3.38Å
748	H	94.3	Very high	91.8	Very high	29 Å²	29	23.2 Å²	23.2	13%	0.134	11%	0.109	C	C	.	.	H	α-helix	trans	-56.6	-37.6	176.5	-52.5	-61.7	0	0	0	112.1	E683 F687 S750 D751 V752	E683-H748 HydrophobicContact CG-CB 4.28Å; F687-H748 PolarHBondContact O-CE1 3.5Å; F687-H748 PolarHBondContact O-ND1 2.99Å; H748-S750 VanDerWaalsContact C-N 3.26Å; H748-S750 PolarHBondContact O-N 2.82Å; H748-D751 CarbonylContact O-C 3.48Å; H748-D751 WeakPolarHBondContact O-CB 3.38Å; H748-D751 PolarHBondContact O-N 3.1Å; H748-V752 WeakPolarHBondContact O-CG2 3.41Å; H748-V752 PolarHBondContact O-N 3.29Å
749	A	96.9	Very high	92.1	Very high	24 Å²	24	23 Å²	23	20%	0.198	11%	0.107	C	C	.	.	H	α-helix	trans	-63	-25.5	173.7	0	0	0	0	0	114.2	S747 W753 P810 R813	S747-A749 PolarHBondContact O-N 3.41Å; A749-W753 PolarHBondContact O-N 3.44Å; A749-P810 HydrophobicContact CB-CB 3.93Å; A749-R813 WeakPolarHBondContact O-CD 3.24Å; A749-R813 PolarHBondContact O-NH1 2.71Å
750	S	95.7	Very high	92.5	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.007	11%	0.106	C	C	.	.	H	α-helix	trans	-79.5	-29.8	172.2	69.9	0	0	0	0	112.8	S740 S747 H748 V752 S754	S740-S750 VanDerWaalsContact OG-CB 3.24Å; S740-S750 WeakPolarHBondContact OG-CB 3.46Å; S747-S750 PolarHBondContact N-OG 2.87Å; S747-S750 WeakPolarHBondContact O-CA 3.35Å; S747-S750 WeakPolarHBondContact O-CB 3.29Å; S747-S750 PolarHBondContact O-N 2.88Å; S747-S750 PolarHBondContact O-OG 2.97Å; H748-S750 VanDerWaalsContact C-N 3.26Å; H748-S750 PolarHBondContact O-N 2.82Å; S750-V752 VanDerWaalsContact C-N 3.35Å; S750-S754 PolarHBondContact O-N 3.49Å; S750-S754 PolarHBondContact O-OG 3.07Å
751	D	96.5	Very high	92.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-71.5	-31.5	168.8	-68.1	-32.6	0	0	0	111	M679 V688 H689 R690 S747 H748 S754 F755 F816	M679-D751 HydrophobicContact CE-CB 3.64Å; V688-D751 WeakPolarHBondContact CA-OD2 3.47Å; V688-D751 VanDerWaalsContact CG1-OD2 3.24Å; V688-D751 WeakPolarHBondContact CG1-OD2 3.38Å; H689-D751 PolarHBondContact N-OD1 3.38Å; H689-D751 PolarHBondContact N-OD2 3.44Å; R690-D751 PolarHBondContact N-OD1 2.86Å; S747-D751 PolarHBondContact O-N 3.38Å; H748-D751 CarbonylContact O-C 3.48Å; H748-D751 WeakPolarHBondContact O-CB 3.38Å; H748-D751 PolarHBondContact O-N 3.1Å; D751-S754 CarbonylContact O-C 3.58Å; D751-S754 WeakPolarHBondContact O-CA 3.34Å; D751-S754 VanDerWaalsContact O-CB 3.31Å; D751-S754 WeakPolarHBondContact O-CB 3.32Å; D751-S754 PolarHBondContact O-N 3Å; D751-S754 VanDerWaalsContact O-N 3.16Å; D751-F755 PolarHBondContact O-N 3.19Å; D751-F816 HydrophobicContact CB-CE2 3.92Å; D751-F816 HydrophobicContact CB-CZ 3.98Å
752	V	98.4	Very high	93.6	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.006	9%	0.093	C	C	.	.	H	α-helix	trans	-62.3	-42.5	173.1	168.3	0	0	0	0	111.8	H748 S750 S754 F755 G756 C805 R813 P814 F816 L819	H748-V752 WeakPolarHBondContact O-CG2 3.41Å; H748-V752 PolarHBondContact O-N 3.29Å; S750-V752 VanDerWaalsContact C-N 3.35Å; V752-S754 VanDerWaalsContact C-N 3.3Å; V752-S754 PolarHBondContact O-N 3.26Å; V752-F755 WeakPolarHBondContact O-CB 3.28Å; V752-F755 PolarHBondContact O-N 3.07Å; V752-G756 PolarHBondContact O-N 2.95Å; V752-C805 HydrophobicContact CG1-CB 4.11Å; V752-R813 HydrophobicContact CG1-CB 3.98Å; V752-P814 HydrophobicContact CG1-CG 4.35Å; V752-P814 WeakPolarHBondContact CG1-O 3.37Å; V752-P814 WeakPolarHBondContact CG2-O 3.33Å; V752-F816 HydrophobicContact CB-CZ 4.33Å; V752-F816 HydrophobicContact CG2-CD1 4.42Å; V752-F816 HydrophobicContact CG2-CD2 3.85Å; V752-F816 HydrophobicContact CG2-CE1 4.11Å; V752-F816 HydrophobicContact CG2-CE2 3.5Å; V752-F816 HydrophobicContact CG2-CG 4.31Å; V752-F816 HydrophobicContact CG2-CZ 3.65Å; V752-L819 HydrophobicContact CG1-CD1 4.05Å; V752-L819 HydrophobicContact CG2-CD1 4.25Å
753	W	98	Very high	94.4	Very high	1 Å²	1	16.1 Å²	16.1	0%	0.004	8%	0.076	C	C	.	.	H	α-helix	trans	-58.8	-44.8	171.3	177.9	-71.9	0	0	0	111.3	Y736 A737 P738 A749 F755 G756 I757 I782 C805 W806	Y736-W753 PolarHBondContact O-NE1 3.2Å; Y736-W753 VanDerWaalsContact O-NE1 3.15Å; A737-W753 HydrophobicContact CB-CB 3.75Å; A737-W753 HydrophobicContact CB-CD2 3.99Å; A737-W753 HydrophobicContact CB-CE3 4.37Å; A737-W753 HydrophobicContact CB-CG 3.7Å; P738-W753 HydrophobicContact CG-CH2 4.04Å; P738-W753 HydrophobicContact CG-CZ3 4.14Å; A749-W753 PolarHBondContact O-N 3.44Å; W753-F755 VanDerWaalsContact C-N 3.29Å; W753-F755 PolarHBondContact O-N 3.15Å; W753-G756 PolarHBondContact O-N 3.05Å; W753-G756 VanDerWaalsContact O-N 3.15Å; W753-I757 PolarHBondContact O-N 3.37Å; W753-I757 VanDerWaalsContact O-N 3.16Å; W753-I782 HydrophobicContact CH2-CG2 3.7Å; W753-I782 HydrophobicContact CZ2-CD1 4Å; W753-I782 HydrophobicContact CZ2-CG1 4.33Å; W753-I782 HydrophobicContact CZ2-CG2 4.12Å; W753-C805 WeakPolarHBondContact CA-O 3.37Å; W753-W806 AromaticContact CD2-CD1 3.95Å; W753-W806 HydrophobicContact CE3-CB 4.23Å; W753-W806 HydrophobicContact CH2-CB 4.18Å; W753-W806 HydrophobicContact CZ3-CB 3.99Å; W753-W806 VanDerWaalsContact CZ3-O 3.25Å; W753-W806 WeakPolarHBondContact CZ3-O 3.32Å
754	S	97.4	Very high	95	Very high	4 Å²	4	9 Å²	9	3%	0.028	5%	0.049	C	C	.	.	H	α-helix	trans	-61.5	-37.9	177.2	-50.4	0	0	0	0	111.5	W735 S750 D751 V752 I757 C758	W735-S754 WeakPolarHBondContact O-CA 3.48Å; W735-S754 PolarHBondContact O-OG 3.31Å; W735-S754 VanDerWaalsContact O-OG 3.08Å; S750-S754 PolarHBondContact O-N 3.49Å; S750-S754 PolarHBondContact O-OG 3.07Å; D751-S754 CarbonylContact O-C 3.58Å; D751-S754 WeakPolarHBondContact O-CA 3.34Å; D751-S754 VanDerWaalsContact O-CB 3.31Å; D751-S754 WeakPolarHBondContact O-CB 3.32Å; D751-S754 PolarHBondContact O-N 3Å; D751-S754 VanDerWaalsContact O-N 3.16Å; V752-S754 VanDerWaalsContact C-N 3.3Å; V752-S754 PolarHBondContact O-N 3.26Å; S754-I757 PolarHBondContact O-N 3.43Å; S754-C758 WeakPolarHBondContact O-CB 3.46Å; S754-C758 PolarHBondContact O-N 2.85Å
755	F	98.3	Very high	95.9	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-64.1	-41.6	172.9	-178.6	-114.3	0	0	0	112	I675 A676 L692 D751 V752 W753 I757 C758 L759 F816 L819 F823	I675-F755 HydrophobicContact CB-CE2 3.94Å; I675-F755 HydrophobicContact CG2-CD2 3.73Å; I675-F755 HydrophobicContact CG2-CE2 3.6Å; A676-F755 HydrophobicContact CB-CZ 4Å; L692-F755 HydrophobicContact CD2-CB 3.71Å; L692-F755 HydrophobicContact CD2-CD2 4.16Å; L692-F755 HydrophobicContact CD2-CG 4.41Å; D751-F755 PolarHBondContact O-N 3.19Å; V752-F755 WeakPolarHBondContact O-CB 3.28Å; V752-F755 PolarHBondContact O-N 3.07Å; W753-F755 VanDerWaalsContact C-N 3.29Å; W753-F755 PolarHBondContact O-N 3.15Å; F755-I757 VanDerWaalsContact C-N 3.29Å; F755-I757 PolarHBondContact O-N 3.01Å; F755-C758 CarbonylContact O-C 3.29Å; F755-C758 WeakPolarHBondContact O-CA 3.41Å; F755-C758 VanDerWaalsContact O-CB 3.31Å; F755-C758 WeakPolarHBondContact O-CB 3.49Å; F755-C758 PolarHBondContact O-N 2.66Å; F755-L759 HydrophobicContact CD1-CD1 3.97Å; F755-L759 HydrophobicContact CD1-CG 4.27Å; F755-L759 HydrophobicContact CE1-CD1 3.66Å; F755-L759 HydrophobicContact CE1-CD2 4.18Å; F755-L759 HydrophobicContact CE1-CG 3.99Å; F755-L759 HydrophobicContact CE2-CD2 4.12Å; F755-L759 HydrophobicContact CE2-CG 4.29Å; F755-L759 HydrophobicContact CZ-CD1 4.13Å; F755-L759 HydrophobicContact CZ-CD2 3.76Å; F755-L759 HydrophobicContact CZ-CG 4Å; F755-L759 WeakPolarHBondContact O-CG 3.34Å; F755-L759 PolarHBondContact O-N 3.27Å; F755-F816 HydrophobicContact CB-CE1 3.83Å; F755-F816 HydrophobicContact CB-CZ 4.21Å; F755-F816 HydrophobicContact CD1-CE1 4.22Å; F755-F816 HydrophobicContact CD2-CE1 4.48Å; F755-F816 AromaticContact CG-CE1 3.94Å; F755-F816 HydrophobicContact CG-CE1 3.94Å; F755-L819 HydrophobicContact CD1-CD1 3.78Å; F755-L819 HydrophobicContact CD1-CD2 4.49Å; F755-L819 HydrophobicContact CE1-CB 4.22Å; F755-L819 HydrophobicContact CE1-CD1 4.02Å; F755-L819 HydrophobicContact CE1-CD2 4.21Å; F755-L819 HydrophobicContact CE1-CG 4.39Å; F755-F823 HydrophobicContact CE1-CD2 4.32Å; F755-F823 AromaticContact CE1-CE2 3.98Å; F755-F823 HydrophobicContact CE1-CE2 3.98Å; F755-F823 HydrophobicContact CZ-CD2 4.25Å; F755-F823 HydrophobicContact CZ-CE2 4.14Å
756	G	98.4	Very high	96.3	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-56.6	-41.8	172.5	0	0	0	0	0	112.8	V752 W753 L759 W760 W806	V752-G756 PolarHBondContact O-N 2.95Å; W753-G756 PolarHBondContact O-N 3.05Å; W753-G756 VanDerWaalsContact O-N 3.15Å; G756-L759 PolarHBondContact O-N 3.15Å; G756-W760 PolarHBondContact O-N 3.47Å; G756-W806 VanDerWaalsContact O-CZ2 3.29Å; G756-W806 WeakPolarHBondContact O-CZ2 3.49Å
757	I	97.9	Very high	96.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-68.8	-37.5	174.2	-55.6	-69.3	0	0	0	111.3	W735 W753 S754 F755 W760 E761 P769 Y770 L788 W806	W735-I757 VanDerWaalsContact CD1-CG2 3.43Å; W735-I757 HydrophobicContact CD2-CG2 4.34Å; W735-I757 HydrophobicContact CG-CB 4.45Å; W735-I757 HydrophobicContact CG-CG2 3.91Å; W753-I757 PolarHBondContact O-N 3.37Å; W753-I757 VanDerWaalsContact O-N 3.16Å; S754-I757 PolarHBondContact O-N 3.43Å; F755-I757 VanDerWaalsContact C-N 3.29Å; F755-I757 PolarHBondContact O-N 3.01Å; I757-W760 WeakPolarHBondContact O-CB 3.27Å; I757-W760 PolarHBondContact O-N 2.97Å; I757-W760 VanDerWaalsContact O-N 3.16Å; I757-E761 PolarHBondContact O-N 3Å; I757-P769 HydrophobicContact CG2-CB 4.03Å; I757-P769 HydrophobicContact CG2-CG 3.91Å; I757-Y770 HydrophobicContact CD1-CE2 4.3Å; I757-L788 HydrophobicContact CD1-CD1 3.67Å; I757-W806 HydrophobicContact CD1-CZ2 3.85Å
758	C	97.8	Very high	96.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61.8	-43.8	174.6	-166	0	0	0	0	111.8	C694 S754 F755 W760 E761 M762	C694-C758 PolarHBondContact N-SG 3.46Å; C694-C758 PolarHBondContact SG-O 2.88Å; C694-C758 VanDerWaalsContact SG-SG 3.63Å; S754-C758 WeakPolarHBondContact O-CB 3.46Å; S754-C758 PolarHBondContact O-N 2.85Å; F755-C758 CarbonylContact O-C 3.29Å; F755-C758 WeakPolarHBondContact O-CA 3.41Å; F755-C758 VanDerWaalsContact O-CB 3.31Å; F755-C758 WeakPolarHBondContact O-CB 3.49Å; F755-C758 PolarHBondContact O-N 2.66Å; C758-W760 VanDerWaalsContact C-N 3.31Å; C758-W760 PolarHBondContact O-N 3.42Å; C758-E761 WeakPolarHBondContact O-CB 3.43Å; C758-E761 PolarHBondContact O-N 3.48Å; C758-M762 WeakPolarHBondContact O-CG 3.48Å; C758-M762 PolarHBondContact O-N 3.02Å
759	L	98.4	Very high	96.3	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-59	-42.1	171.2	-67.6	174.4	0	0	0	111.2	S672 F755 G756 M762 F763 I801 M802 F823	S672-L759 WeakPolarHBondContact OG-CD2 3.42Å; F755-L759 HydrophobicContact CD1-CD1 3.97Å; F755-L759 HydrophobicContact CD1-CG 4.27Å; F755-L759 HydrophobicContact CE1-CD1 3.66Å; F755-L759 HydrophobicContact CE1-CD2 4.18Å; F755-L759 HydrophobicContact CE1-CG 3.99Å; F755-L759 HydrophobicContact CE2-CD2 4.12Å; F755-L759 HydrophobicContact CE2-CG 4.29Å; F755-L759 HydrophobicContact CZ-CD1 4.13Å; F755-L759 HydrophobicContact CZ-CD2 3.76Å; F755-L759 HydrophobicContact CZ-CG 4Å; F755-L759 WeakPolarHBondContact O-CG 3.34Å; F755-L759 PolarHBondContact O-N 3.27Å; G756-L759 PolarHBondContact O-N 3.15Å; L759-M762 HydrophobicContact CD2-SD 4.43Å; L759-M762 WeakPolarHBondContact O-CB 3.48Å; L759-M762 PolarHBondContact O-N 3.27Å; L759-F763 HydrophobicContact CD2-CE2 4.44Å; L759-F763 WeakPolarHBondContact O-CD2 3.46Å; L759-F763 PolarHBondContact O-N 3.07Å; L759-I801 HydrophobicContact CD1-CG2 4.44Å; L759-M802 HydrophobicContact CB-CE 3.83Å; L759-M802 HydrophobicContact CB-CG 4.05Å; L759-M802 HydrophobicContact CD1-CG 4.3Å; L759-F823 HydrophobicContact CD1-CE2 3.75Å; L759-F823 HydrophobicContact CD1-CZ 3.67Å; L759-F823 HydrophobicContact CD2-CE1 4.19Å; L759-F823 HydrophobicContact CD2-CE2 3.98Å; L759-F823 HydrophobicContact CD2-CZ 3.61Å; L759-F823 HydrophobicContact CG-CZ 4.3Å
760	W	98.4	Very high	95.9	Very high	14 Å²	14	12.5 Å²	12.5	5%	0.053	6%	0.06	C	C	.	.	H	α-helix	trans	-64	-40.6	177.4	-169.6	92.9	0	0	0	112.3	G756 I757 C758 M762 S764 E767 P769 L788 P789 P791 W806	G756-W760 PolarHBondContact O-N 3.47Å; I757-W760 WeakPolarHBondContact O-CB 3.27Å; I757-W760 PolarHBondContact O-N 2.97Å; I757-W760 VanDerWaalsContact O-N 3.16Å; C758-W760 VanDerWaalsContact C-N 3.31Å; C758-W760 PolarHBondContact O-N 3.42Å; W760-M762 VanDerWaalsContact C-N 3.32Å; W760-M762 PolarHBondContact O-N 3.44Å; W760-S764 WeakPolarHBondContact O-CB 3.31Å; W760-S764 PolarHBondContact O-N 3.21Å; W760-S764 VanDerWaalsContact O-N 3.12Å; W760-S764 PolarHBondContact O-OG 2.95Å; W760-E767 HydrophobicContact CH2-CB 3.87Å; W760-E767 HydrophobicContact CZ3-CB 3.91Å; W760-P769 HydrophobicContact CE3-CB 4.1Å; W760-P769 HydrophobicContact CZ3-CB 4.22Å; W760-L788 HydrophobicContact CB-CD1 4.13Å; W760-L788 HydrophobicContact CD2-CB 4.38Å; W760-L788 HydrophobicContact CD2-CD1 3.71Å; W760-L788 HydrophobicContact CD2-CG 4.47Å; W760-L788 HydrophobicContact CE3-CD1 4.15Å; W760-L788 HydrophobicContact CG-CB 4.2Å; W760-L788 HydrophobicContact CG-CD1 3.66Å; W760-P789 PolarHBondContact NE1-O 3.37Å; W760-P791 VanDerWaalsContact CD1-CG 3.44Å; W760-P791 HydrophobicContact CG-CG 4.11Å; W760-W806 HydrophobicContact CB-CH2 4.05Å; W760-W806 HydrophobicContact CB-CZ2 3.97Å; W760-W806 AromaticContact CD1-CH2 3.83Å; W760-W806 HydrophobicContact CG-CH2 4.19Å; W760-W806 HydrophobicContact CG-CZ2 4.49Å
761	E	97.8	Very high	95	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-58.3	-42.8	170.9	-73.3	-176.1	107.9	0	0	111	C694 W735 I757 C758 L765 G766 R910	C694-E761 HydrophobicContact CB-CB 4.02Å; C694-E761 PolarHBondContact N-OE2 3.37Å; C694-E761 VanDerWaalsContact SG-CB 3.57Å; W735-E761 WeakPolarHBondContact CZ2-OE1 3.43Å; W735-E761 PolarHBondContact NE1-OE2 3.48Å; I757-E761 PolarHBondContact O-N 3Å; C758-E761 WeakPolarHBondContact O-CB 3.43Å; C758-E761 PolarHBondContact O-N 3.48Å; E761-L765 PolarHBondContact O-N 2.87Å; E761-G766 PolarHBondContact O-N 3.44Å; E761-R910 IonicContact OE1-NH1 3.33Å
762	M	98	Very high	94.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-64.2	-57.3	179.6	-70.7	175.4	61.5	0	0	113.2	L652 L656 L668 W671 S672 I675 C694 C758 L759 W760 S764 L765	L652-M762 HydrophobicContact CD2-CG 4.06Å; L652-M762 HydrophobicContact CD2-SD 4.12Å; L656-M762 HydrophobicContact CD1-CG 4.42Å; L668-M762 HydrophobicContact CB-CE 4.47Å; L668-M762 HydrophobicContact CD2-CB 4.23Å; L668-M762 HydrophobicContact CD2-CE 4.32Å; L668-M762 WeakPolarHBondContact O-CE 3.45Å; W671-M762 HydrophobicContact CB-CE 3.68Å; W671-M762 HydrophobicContact CE3-CE 4.41Å; S672-M762 WeakPolarHBondContact OG-CE 3.29Å; I675-M762 HydrophobicContact CD1-SD 3.92Å; C694-M762 VanDerWaalsContact SG-CG 3.52Å; C758-M762 WeakPolarHBondContact O-CG 3.48Å; C758-M762 PolarHBondContact O-N 3.02Å; L759-M762 HydrophobicContact CD2-SD 4.43Å; L759-M762 WeakPolarHBondContact O-CB 3.48Å; L759-M762 PolarHBondContact O-N 3.27Å; W760-M762 VanDerWaalsContact C-N 3.32Å; W760-M762 PolarHBondContact O-N 3.44Å; M762-S764 PolarHBondContact O-N 3.15Å; M762-L765 PolarHBondContact O-N 3.12Å; M762-L765 VanDerWaalsContact O-N 3.09Å
763	F	97.7	Very high	93.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-75.2	-5.2	-176.1	-73.8	-93.8	0	0	0	113.4	L665 L668 Y669 L759 P791 L793 A794 V798 M802	L665-F763 HydrophobicContact CD2-CD1 4.46Å; L665-F763 HydrophobicContact CD2-CE1 4.02Å; L668-F763 HydrophobicContact CB-CE1 4.1Å; L668-F763 HydrophobicContact CB-CE2 4.35Å; L668-F763 HydrophobicContact CB-CZ 3.92Å; L668-F763 HydrophobicContact CD1-CD1 3.85Å; L668-F763 HydrophobicContact CD1-CE1 4.03Å; L668-F763 HydrophobicContact CD1-CG 4.24Å; Y669-F763 HydrophobicContact CD1-CE1 4.29Å; Y669-F763 AromaticContact CD1-CZ 3.75Å; Y669-F763 HydrophobicContact CD1-CZ 3.75Å; Y669-F763 AromaticContact CE1-CE1 3.82Å; Y669-F763 HydrophobicContact CE1-CE1 3.82Å; Y669-F763 AromaticContact CE1-CZ 3.65Å; Y669-F763 HydrophobicContact CE1-CZ 3.65Å; L759-F763 HydrophobicContact CD2-CE2 4.44Å; L759-F763 WeakPolarHBondContact O-CD2 3.46Å; L759-F763 PolarHBondContact O-N 3.07Å; F763-P791 HydrophobicContact CB-CB 3.63Å; F763-P791 HydrophobicContact CB-CG 4.02Å; F763-P791 VanDerWaalsContact O-CB 3.28Å; F763-P791 WeakPolarHBondContact O-CB 3.45Å; F763-L793 HydrophobicContact CB-CB 4.47Å; F763-L793 HydrophobicContact CD1-CB 4.08Å; F763-L793 WeakPolarHBondContact O-CB 3.41Å; F763-L793 PolarHBondContact O-N 3.43Å; F763-A794 HydrophobicContact CB-CB 4.41Å; F763-A794 HydrophobicContact CD1-CB 4.44Å; F763-V798 HydrophobicContact CD1-CG1 4.21Å; F763-V798 HydrophobicContact CD2-CG1 4.13Å; F763-V798 HydrophobicContact CE1-CG1 4.04Å; F763-V798 HydrophobicContact CE2-CG1 3.97Å; F763-V798 HydrophobicContact CG-CG1 4.26Å; F763-V798 HydrophobicContact CZ-CG1 3.93Å; F763-V798 HydrophobicContact CZ-CG2 4.48Å; F763-M802 HydrophobicContact CB-CE 3.94Å; F763-M802 HydrophobicContact CD2-CE 3.67Å; F763-M802 HydrophobicContact CE2-CE 4.48Å; F763-M802 HydrophobicContact CG-CE 3.96Å
764	S	96.2	Very high	92.4	Very high	4 Å²	4	31 Å²	31	3%	0.028	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	14.3	170.1	-44.4	0	0	0	0	112.9	W760 M762 G766 E767 P791	W760-S764 WeakPolarHBondContact O-CB 3.31Å; W760-S764 PolarHBondContact O-N 3.21Å; W760-S764 VanDerWaalsContact O-N 3.12Å; W760-S764 PolarHBondContact O-OG 2.95Å; M762-S764 PolarHBondContact O-N 3.15Å; S764-G766 PolarHBondContact O-N 2.87Å; S764-E767 WeakPolarHBondContact O-CG 3.47Å; S764-E767 PolarHBondContact O-N 3.19Å; S764-P791 WeakPolarHBondContact OG-CB 3.42Å
765	L	95.2	Very high	91.2	Very high	35 Å²	35	33.3 Å²	33.3	18%	0.183	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	46	177.3	-58.9	-179.7	0	0	0	114.4	L656 P660 C663 E761 M762 L793	L656-L765 HydrophobicContact CD2-CD2 3.9Å; P660-L765 HydrophobicContact CB-CD1 3.95Å; C663-L765 HydrophobicContact CB-CD2 3.58Å; E761-L765 PolarHBondContact O-N 2.87Å; M762-L765 PolarHBondContact O-N 3.12Å; M762-L765 VanDerWaalsContact O-N 3.09Å; L765-L793 HydrophobicContact CD1-CD1 4.11Å; L765-L793 HydrophobicContact CD2-CD1 3.72Å; L765-L793 HydrophobicContact CG-CD1 3.82Å
766	G	91.8	Very high	90.3	Very high	2 Å²	2	41.3 Å²	41.3	2%	0.021	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	6.8	173.6	0	0	0	0	0	115.5	E761 S764	E761-G766 PolarHBondContact O-N 3.44Å; S764-G766 PolarHBondContact O-N 2.87Å
767	E	93.9	Very high	89.7	Confident	109 Å²	109	44.1 Å²	44.1	51%	0.509	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-51.4	149.1	170.7	-82.7	-170.3	-165	0	0	112.4	W760 S764	W760-E767 HydrophobicContact CH2-CB 3.87Å; W760-E767 HydrophobicContact CZ3-CB 3.91Å; S764-E767 WeakPolarHBondContact O-CG 3.47Å; S764-E767 PolarHBondContact O-N 3.19Å
768	H	88.7	Confident	89	Confident	78 Å²	78	44.1 Å²	44.1	36%	0.361	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-84.6	121.4	-178.9	-174.6	81	0	0	0	110.4	K734 W735 Y770 A771	K734-H768 PolarHBondContact NZ-CD2 2.94Å; K734-H768 PolarHBondContact NZ-NE2 3.34Å; W735-H768 AromaticContact CH2-CE1 3.87Å; H768-Y770 PolarHBondContact O-N 3.38Å; H768-A771 PolarHBondContact O-N 2.98Å
769	P	90.8	Very high	88.4	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	142.2	-179.1	23.8	-33.8	0	0	0	110.8	K734 W735 I757 W760 A771 L788	K734-P769 HydrophobicContact CB-CG 4.45Å; K734-P769 VanDerWaalsContact CD-O 3.27Å; K734-P769 WeakPolarHBondContact CD-O 3.38Å; K734-P769 PolarHBondContact NZ-O 3.44Å; K734-P769 VanDerWaalsContact NZ-O 3.15Å; W735-P769 HydrophobicContact CH2-CG 3.98Å; W735-P769 HydrophobicContact CZ2-CG 3.68Å; I757-P769 HydrophobicContact CG2-CB 4.03Å; I757-P769 HydrophobicContact CG2-CG 3.91Å; W760-P769 HydrophobicContact CE3-CB 4.1Å; W760-P769 HydrophobicContact CZ3-CB 4.22Å; P769-A771 VanDerWaalsContact C-N 3.31Å; P769-A771 PolarHBondContact O-N 3.36Å; P769-L788 HydrophobicContact CB-CD1 3.9Å; P769-L788 HydrophobicContact CB-CD2 4.39Å
770	Y	89.4	Confident	87.9	Confident	13 Å²	13	50.1 Å²	50.1	5%	0.051	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	51.1	-175.9	-53	-86.8	0	0	0	112.4	K734 I757 H768 Q773 V778 L788	K734-Y770 HydrophobicContact CB-CD2 4.31Å; K734-Y770 HydrophobicContact CG-CD2 4.42Å; K734-Y770 PolarHBondContact NZ-O 3.16Å; I757-Y770 HydrophobicContact CD1-CE2 4.3Å; H768-Y770 PolarHBondContact O-N 3.38Å; Y770-Q773 PolarHBondContact O-N 3.36Å; Y770-V778 VanDerWaalsContact CB-CG2 3.49Å; Y770-V778 HydrophobicContact CD1-CG1 4.17Å; Y770-V778 HydrophobicContact CD1-CG2 4.03Å; Y770-V778 HydrophobicContact CD2-CG1 3.85Å; Y770-V778 HydrophobicContact CD2-CG2 4.21Å; Y770-V778 HydrophobicContact CE1-CG1 4.27Å; Y770-V778 HydrophobicContact CE2-CG1 3.96Å; Y770-V778 HydrophobicContact CG-CB 4.46Å; Y770-V778 HydrophobicContact CG-CG1 3.98Å; Y770-V778 HydrophobicContact CG-CG2 3.67Å; Y770-L788 HydrophobicContact CD1-CD2 3.7Å; Y770-L788 HydrophobicContact CD1-CG 4.49Å; Y770-L788 HydrophobicContact CD2-CD1 4.47Å; Y770-L788 HydrophobicContact CD2-CD2 3.74Å; Y770-L788 HydrophobicContact CD2-CG 4.28Å; Y770-L788 HydrophobicContact CE1-CD2 3.72Å; Y770-L788 HydrophobicContact CE1-CG 4.02Å; Y770-L788 HydrophobicContact CE2-CD1 3.99Å; Y770-L788 HydrophobicContact CE2-CD2 3.76Å; Y770-L788 HydrophobicContact CE2-CG 3.79Å; Y770-L788 HydrophobicContact CG-CD2 3.7Å
771	A	77.1	Confident	87.5	Confident	58 Å²	58	50.9 Å²	50.9	48%	0.479	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50	145.9	179.7	0	0	0	0	0	112.2	H768 P769 Q773	H768-A771 PolarHBondContact O-N 2.98Å; P769-A771 VanDerWaalsContact C-N 3.31Å; P769-A771 PolarHBondContact O-N 3.36Å; A771-Q773 PolarHBondContact O-N 3.15Å
772	D	81.1	Confident	87.2	Confident	180 Å²	180	51.2 Å²	51.2	96%	0.963	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	-8.4	-177.3	-55.8	-39.9	0	0	0	117.6
773	Q	80.3	Confident	86.8	Confident	55 Å²	55	56.1 Å²	56.1	26%	0.257	28%	0.282	S	S	.	.			trans	-84.3	146.2	173.4	-57.6	-176.7	4.5	0	0	112.9	K734 Y770 A771 E777 V778	K734-Q773 WeakPolarHBondContact CE-O 3.17Å; K734-Q773 PolarHBondContact NZ-O 2.97Å; Y770-Q773 PolarHBondContact O-N 3.36Å; A771-Q773 PolarHBondContact O-N 3.15Å; Q773-E777 HydrophobicContact CB-CG 4.46Å; Q773-E777 HydrophobicContact CG-CG 4.39Å; Q773-V778 HydrophobicContact CB-CG2 3.82Å
774	D	76.4	Confident	86.5	Confident	99 Å²	99	61.6 Å²	61.6	53%	0.529	31%	0.308	S	S	.	.			trans	-91	171.3	170.9	85.1	36.7	0	0	0	113.3	F776 E777 V778	D774-F776 VanDerWaalsContact C-N 3.28Å; D774-F776 PolarHBondContact O-N 3.42Å; D774-F776 WeakPolarHBondContact OD1-CB 3.5Å; D774-F776 PolarHBondContact OD1-N 2.86Å; D774-E777 PolarHBondContact O-N 3.08Å; D774-E777 PolarHBondContact OD1-N 3.22Å; D774-V778 WeakPolarHBondContact O-CG2 3.4Å; D774-V778 PolarHBondContact O-N 3.22Å
775	S	72.2	Confident	86.3	Confident	53 Å²	53	63.9 Å²	63.9	37%	0.371	33%	0.332	S	S	.	.	H	α-helix	trans	-65.2	-22	-173.8	-57.3	0	0	0	0	115.5	L779	S775-L779 WeakPolarHBondContact O-CD1 3.35Å; S775-L779 WeakPolarHBondContact O-CG 3.24Å; S775-L779 PolarHBondContact O-N 2.78Å
776	F	78.2	Confident	86.2	Confident	167 Å²	167	65.2 Å²	65.2	73%	0.732	34%	0.341	S	S	*	.	H	α-helix	trans	-83	-40	175.9	-68.4	-81.4	0	0	0	111.2	D774 L779 R780	D774-F776 VanDerWaalsContact C-N 3.28Å; D774-F776 PolarHBondContact O-N 3.42Å; D774-F776 WeakPolarHBondContact OD1-CB 3.5Å; D774-F776 PolarHBondContact OD1-N 2.86Å; F776-L779 PolarHBondContact O-N 2.76Å; F776-R780 WeakPolarHBondContact O-CB 3.3Å; F776-R780 PolarHBondContact O-N 3.16Å
777	E	85.9	Confident	86.3	Confident	59 Å²	59	66.9 Å²	66.9	28%	0.276	35%	0.347	S	S	.	.	H	α-helix	trans	-67.1	-40.5	177.8	-179.5	57.2	-166.9	0	0	111.7	Q773 D774 L779 R780 Q781	Q773-E777 HydrophobicContact CB-CG 4.46Å; Q773-E777 HydrophobicContact CG-CG 4.39Å; D774-E777 PolarHBondContact O-N 3.08Å; D774-E777 PolarHBondContact OD1-N 3.22Å; E777-L779 PolarHBondContact O-N 2.85Å; E777-R780 PolarHBondContact O-N 2.67Å; E777-R780 IonicContact OE1-CZ 3.76Å; E777-R780 IonicContact OE1-NE 3.69Å; E777-R780 IonicContact OE1-NH2 2.85Å; E777-R780 PolarHBondContact OE1-NH2 3.16Å; E777-R780 IonicContact OE2-CZ 3.91Å; E777-R780 IonicContact OE2-NE 2.68Å; E777-R780 PolarHBondContact OE2-NE 3.32Å; E777-R780 IonicContact OE2-NH2 3.78Å; E777-R780 PolarHBondContact OE2-NH2 2.88Å; E777-Q781 WeakPolarHBondContact O-CB 3.46Å; E777-Q781 WeakPolarHBondContact O-CG 3.47Å; E777-Q781 PolarHBondContact O-N 3.19Å; E777-Q781 PolarHBondContact OE1-NE2 3.45Å
778	V	84.7	Confident	86.4	Confident	1 Å²	1	62 Å²	62	1%	0.006	33%	0.325	C	S	.	.	H	α-helix	trans	-60.6	-43.9	173.3	172.4	0	0	0	0	111.8	K734 Y770 Q773 D774 Q781 I782	K734-V778 HydrophobicContact CG-CG2 4.44Å; Y770-V778 VanDerWaalsContact CB-CG2 3.49Å; Y770-V778 HydrophobicContact CD1-CG1 4.17Å; Y770-V778 HydrophobicContact CD1-CG2 4.03Å; Y770-V778 HydrophobicContact CD2-CG1 3.85Å; Y770-V778 HydrophobicContact CD2-CG2 4.21Å; Y770-V778 HydrophobicContact CE1-CG1 4.27Å; Y770-V778 HydrophobicContact CE2-CG1 3.96Å; Y770-V778 HydrophobicContact CG-CB 4.46Å; Y770-V778 HydrophobicContact CG-CG1 3.98Å; Y770-V778 HydrophobicContact CG-CG2 3.67Å; Q773-V778 HydrophobicContact CB-CG2 3.82Å; D774-V778 WeakPolarHBondContact O-CG2 3.4Å; D774-V778 PolarHBondContact O-N 3.22Å; V778-Q781 PolarHBondContact O-N 3.45Å; V778-I782 HydrophobicContact CG1-CD1 3.71Å; V778-I782 WeakPolarHBondContact O-CD1 3.32Å; V778-I782 VanDerWaalsContact O-CG1 3.27Å; V778-I782 WeakPolarHBondContact O-CG1 3.37Å; V778-I782 PolarHBondContact O-N 3.35Å
779	L	84.7	Confident	86.7	Confident	21 Å²	21	62.6 Å²	62.6	11%	0.11	34%	0.335	C	S	.	.	H	α-helix	trans	-61	-48.5	176.6	-85.8	172.5	0	0	0	111.9	I741 Y742 S775 F776 E777 Q781 I782 E783	I741-L779 HydrophobicContact CB-CD2 4.33Å; I741-L779 HydrophobicContact CD1-CD2 3.67Å; I741-L779 HydrophobicContact CG2-CD1 3.99Å; I741-L779 HydrophobicContact CG2-CD2 3.99Å; Y742-L779 HydrophobicContact CE2-CD2 4.22Å; S775-L779 WeakPolarHBondContact O-CD1 3.35Å; S775-L779 WeakPolarHBondContact O-CG 3.24Å; S775-L779 PolarHBondContact O-N 2.78Å; F776-L779 PolarHBondContact O-N 2.76Å; E777-L779 PolarHBondContact O-N 2.85Å; L779-Q781 VanDerWaalsContact C-N 3.33Å; L779-Q781 PolarHBondContact O-N 2.98Å; L779-I782 PolarHBondContact O-N 3.47Å; L779-I782 VanDerWaalsContact O-N 3.15Å; L779-E783 PolarHBondContact O-N 3.37Å
780	R	88.2	Confident	87.1	Confident	105 Å²	105	66.7 Å²	66.7	40%	0.396	35%	0.353	S	S	.	.	H	α-helix	trans	-57.9	-45	178.3	-173.1	-179.3	73.1	79.2	1.6	111.6	F776 E777 I782 E783 E784	F776-R780 WeakPolarHBondContact O-CB 3.3Å; F776-R780 PolarHBondContact O-N 3.16Å; E777-R780 PolarHBondContact O-N 2.67Å; E777-R780 IonicContact OE1-CZ 3.76Å; E777-R780 IonicContact OE1-NE 3.69Å; E777-R780 IonicContact OE1-NH2 2.85Å; E777-R780 PolarHBondContact OE1-NH2 3.16Å; E777-R780 IonicContact OE2-CZ 3.91Å; E777-R780 IonicContact OE2-NE 2.68Å; E777-R780 PolarHBondContact OE2-NE 3.32Å; E777-R780 IonicContact OE2-NH2 3.78Å; E777-R780 PolarHBondContact OE2-NH2 2.88Å; R780-I782 PolarHBondContact O-N 2.75Å; R780-E783 PolarHBondContact O-N 3.41Å; R780-E784 VanDerWaalsContact CG-OE1 3.32Å; R780-E784 WeakPolarHBondContact CG-OE1 3.42Å; R780-E784 IonicContact CZ-OE1 3.2Å; R780-E784 IonicContact CZ-OE2 3.66Å; R780-E784 IonicContact NH1-OE1 2.76Å; R780-E784 PolarHBondContact NH1-OE1 2.64Å; R780-E784 IonicContact NH1-OE2 2.83Å; R780-E784 PolarHBondContact NH1-OE2 3.16Å; R780-E784 WeakPolarHBondContact O-CB 3.34Å; R780-E784 WeakPolarHBondContact O-CG 3.44Å; R780-E784 PolarHBondContact O-N 3.22Å
781	Q	90.1	Very high	87.4	Confident	30 Å²	30	66.4 Å²	66.4	14%	0.14	35%	0.353	C	S	.	.	H	α-helix	trans	-62.3	-41.6	176.1	-76.4	-178.1	27.5	0	0	112.1	E777 V778 L779 E783 E784 G785 V786	E777-Q781 WeakPolarHBondContact O-CB 3.46Å; E777-Q781 WeakPolarHBondContact O-CG 3.47Å; E777-Q781 PolarHBondContact O-N 3.19Å; E777-Q781 PolarHBondContact OE1-NE2 3.45Å; V778-Q781 PolarHBondContact O-N 3.45Å; L779-Q781 VanDerWaalsContact C-N 3.33Å; L779-Q781 PolarHBondContact O-N 2.98Å; Q781-E783 PolarHBondContact O-N 3.17Å; Q781-E784 CarbonylContact O-C 3.56Å; Q781-E784 PolarHBondContact O-N 3.39Å; Q781-G785 PolarHBondContact O-N 3.18Å; Q781-V786 HydrophobicContact CB-CB 4.01Å; Q781-V786 HydrophobicContact CB-CG1 4.38Å; Q781-V786 WeakPolarHBondContact O-CA 3.47Å; Q781-V786 VanDerWaalsContact O-CB 3.28Å; Q781-V786 WeakPolarHBondContact O-CB 3.26Å; Q781-V786 PolarHBondContact O-N 3.34Å
782	I	91	Very high	88	Confident	6 Å²	6	69.3 Å²	69.3	3%	0.031	36%	0.356	C	S	.	.	H	α-helix	trans	-64.6	-38.2	178	-70.6	162.1	0	0	0	112.2	P738 W753 V778 L779 R780 G785 R787	P738-I782 HydrophobicContact CG-CG2 3.78Å; W753-I782 HydrophobicContact CH2-CG2 3.7Å; W753-I782 HydrophobicContact CZ2-CD1 4Å; W753-I782 HydrophobicContact CZ2-CG1 4.33Å; W753-I782 HydrophobicContact CZ2-CG2 4.12Å; V778-I782 HydrophobicContact CG1-CD1 3.71Å; V778-I782 WeakPolarHBondContact O-CD1 3.32Å; V778-I782 VanDerWaalsContact O-CG1 3.27Å; V778-I782 WeakPolarHBondContact O-CG1 3.37Å; V778-I782 PolarHBondContact O-N 3.35Å; L779-I782 PolarHBondContact O-N 3.47Å; L779-I782 VanDerWaalsContact O-N 3.15Å; R780-I782 PolarHBondContact O-N 2.75Å; I782-G785 PolarHBondContact O-N 3.28Å; I782-R787 PolarHBondContact O-NH1 2.87Å
783	E	88.6	Confident	88.6	Confident	104 Å²	104	63.3 Å²	63.3	49%	0.486	32%	0.324	S	S	.	.	H	α-helix	trans	-67.3	-39.5	172.8	-70.7	-177.9	155.9	0	0	112.7	Y742 L779 R780 Q781 G785	Y742-E783 WeakPolarHBondContact CE2-OE1 3.11Å; Y742-E783 PolarHBondContact OH-OE1 2.89Å; L779-E783 PolarHBondContact O-N 3.37Å; R780-E783 PolarHBondContact O-N 3.41Å; Q781-E783 PolarHBondContact O-N 3.17Å; E783-G785 PolarHBondContact O-N 3.08Å; E783-G785 VanDerWaalsContact O-N 3.1Å
784	E	92	Very high	89.2	Confident	115 Å²	115	61.1 Å²	61.1	54%	0.537	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	2.7	173.9	-72.8	169.7	-169.4	0	0	113.1	R780 Q781 V786	R780-E784 VanDerWaalsContact CG-OE1 3.32Å; R780-E784 WeakPolarHBondContact CG-OE1 3.42Å; R780-E784 IonicContact CZ-OE1 3.2Å; R780-E784 IonicContact CZ-OE2 3.66Å; R780-E784 IonicContact NH1-OE1 2.76Å; R780-E784 PolarHBondContact NH1-OE1 2.64Å; R780-E784 IonicContact NH1-OE2 2.83Å; R780-E784 PolarHBondContact NH1-OE2 3.16Å; R780-E784 WeakPolarHBondContact O-CB 3.34Å; R780-E784 WeakPolarHBondContact O-CG 3.44Å; R780-E784 PolarHBondContact O-N 3.22Å; Q781-E784 CarbonylContact O-C 3.56Å; Q781-E784 PolarHBondContact O-N 3.39Å; E784-V786 VanDerWaalsContact C-N 3.29Å; E784-V786 HydrophobicContact CB-CG2 4.38Å; E784-V786 PolarHBondContact O-N 3.47Å
785	G	92.3	Very high	90	Very high	51 Å²	51	58.2 Å²	58.2	53%	0.526	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	-0.4	178.4	0	0	0	0	0	114.5	Q781 I782 E783	Q781-G785 PolarHBondContact O-N 3.18Å; I782-G785 PolarHBondContact O-N 3.28Å; E783-G785 PolarHBondContact O-N 3.08Å; E783-G785 VanDerWaalsContact O-N 3.1Å
786	V	92.9	Very high	91	Very high	64 Å²	64	61 Å²	61	39%	0.388	31%	0.31	S	S	.	.			trans	-69.4	146.4	177.9	-175.1	0	0	0	0	110	Q781 E784	Q781-V786 HydrophobicContact CB-CB 4.01Å; Q781-V786 HydrophobicContact CB-CG1 4.38Å; Q781-V786 WeakPolarHBondContact O-CA 3.47Å; Q781-V786 VanDerWaalsContact O-CB 3.28Å; Q781-V786 WeakPolarHBondContact O-CB 3.26Å; Q781-V786 PolarHBondContact O-N 3.34Å; E784-V786 VanDerWaalsContact C-N 3.29Å; E784-V786 HydrophobicContact CB-CG2 4.38Å; E784-V786 PolarHBondContact O-N 3.47Å
787	R	95	Very high	91.6	Very high	37 Å²	37	57.6 Å²	57.6	14%	0.14	30%	0.3	C	S	.	.			trans	-135.5	172	177.8	-63.6	-61.8	-178.7	-93	3.7	109.8	I782 W806	I782-R787 PolarHBondContact O-NH1 2.87Å; R787-W806 HydrophobicContact CB-CE3 3.99Å; R787-W806 HydrophobicContact CB-CZ3 4.39Å; R787-W806 HydrophobicContact CG-CE3 4.32Å; R787-W806 PolarHBondContact NE-O 2.89Å; R787-W806 PolarHBondContact NH2-O 3.44Å
788	L	95.5	Very high	92	Very high	7 Å²	7	54.8 Å²	54.8	4%	0.037	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-62.4	145.8	175	-68.3	169.2	0	0	0	111	I757 W760 P769 Y770 W806	I757-L788 HydrophobicContact CD1-CD1 3.67Å; W760-L788 HydrophobicContact CB-CD1 4.13Å; W760-L788 HydrophobicContact CD2-CB 4.38Å; W760-L788 HydrophobicContact CD2-CD1 3.71Å; W760-L788 HydrophobicContact CD2-CG 4.47Å; W760-L788 HydrophobicContact CE3-CD1 4.15Å; W760-L788 HydrophobicContact CG-CB 4.2Å; W760-L788 HydrophobicContact CG-CD1 3.66Å; P769-L788 HydrophobicContact CB-CD1 3.9Å; P769-L788 HydrophobicContact CB-CD2 4.39Å; Y770-L788 HydrophobicContact CD1-CD2 3.7Å; Y770-L788 HydrophobicContact CD1-CG 4.49Å; Y770-L788 HydrophobicContact CD2-CD1 4.47Å; Y770-L788 HydrophobicContact CD2-CD2 3.74Å; Y770-L788 HydrophobicContact CD2-CG 4.28Å; Y770-L788 HydrophobicContact CE1-CD2 3.72Å; Y770-L788 HydrophobicContact CE1-CG 4.02Å; Y770-L788 HydrophobicContact CE2-CD1 3.99Å; Y770-L788 HydrophobicContact CE2-CD2 3.76Å; Y770-L788 HydrophobicContact CE2-CG 3.79Å; Y770-L788 HydrophobicContact CG-CD2 3.7Å; L788-W806 HydrophobicContact CB-CH2 3.8Å; L788-W806 HydrophobicContact CB-CZ3 4.07Å; L788-W806 HydrophobicContact CD1-CH2 4.06Å; L788-W806 HydrophobicContact CD1-CZ2 4Å; L788-W806 HydrophobicContact CG-CH2 4.4Å
789	P	95.5	Very high	92.6	Very high	90 Å²	90	57.2 Å²	57.2	58%	0.584	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-68.2	158.1	177	30.7	-36.1	0	0	0	111.3	W760 P791	W760-P789 PolarHBondContact NE1-O 3.37Å; P789-P791 WeakPolarHBondContact O-CD 3.33Å
790	K	97.4	Very high	93.2	Very high	86 Å²	86	58.4 Å²	58.4	37%	0.374	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-56.8	122.7	176.4	-178.8	174.2	174.9	-173.2	0	111.2	A794 N795 D796 F799	K790-A794 WeakPolarHBondContact CE-O 3.41Å; K790-A794 HydrophobicContact CG-CB 4.29Å; K790-A794 PolarHBondContact NZ-O 3.18Å; K790-N795 WeakPolarHBondContact CE-O 3.47Å; K790-D796 IonicContact NZ-OD1 2.64Å; K790-D796 PolarHBondContact NZ-OD1 2.97Å; K790-D796 IonicContact NZ-OD2 2.66Å; K790-F799 VanDerWaalsContact CA-CE2 3.45Å; K790-F799 HydrophobicContact CB-CD1 3.93Å; K790-F799 HydrophobicContact CB-CD2 3.88Å; K790-F799 HydrophobicContact CB-CE1 4.01Å; K790-F799 HydrophobicContact CB-CE2 3.97Å; K790-F799 HydrophobicContact CB-CG 3.86Å; K790-F799 HydrophobicContact CB-CZ 4.03Å; K790-F799 HydrophobicContact CD-CB 4.19Å; K790-F799 HydrophobicContact CD-CD1 4.22Å; K790-F799 HydrophobicContact CD-CG 4.21Å; K790-F799 HydrophobicContact CG-CB 3.98Å; K790-F799 HydrophobicContact CG-CD1 4.13Å; K790-F799 HydrophobicContact CG-CD2 4.07Å; K790-F799 HydrophobicContact CG-CG 3.78Å
791	P	95.8	Very high	93.7	Very high	7 Å²	7	54.5 Å²	54.5	5%	0.045	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-59	150.5	173.7	-27.1	36	0	0	0	113.2	W760 F763 S764 P789 L793 A794 M802	W760-P791 VanDerWaalsContact CD1-CG 3.44Å; W760-P791 HydrophobicContact CG-CG 4.11Å; F763-P791 HydrophobicContact CB-CB 3.63Å; F763-P791 HydrophobicContact CB-CG 4.02Å; F763-P791 VanDerWaalsContact O-CB 3.28Å; F763-P791 WeakPolarHBondContact O-CB 3.45Å; S764-P791 WeakPolarHBondContact OG-CB 3.42Å; P789-P791 WeakPolarHBondContact O-CD 3.33Å; P791-L793 PolarHBondContact O-N 3.15Å; P791-A794 HydrophobicContact CB-CB 4.01Å; P791-A794 HydrophobicContact CG-CB 4.21Å; P791-A794 PolarHBondContact O-N 3.49Å; P791-A794 VanDerWaalsContact O-N 3.12Å; P791-M802 HydrophobicContact CG-CE 3.98Å; P791-M802 HydrophobicContact CG-SD 3.89Å
792	H	91.4	Very high	94.1	Very high	119 Å²	119	53 Å²	53	55%	0.551	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-18.9	-176.2	63.8	-93.4	0	0	0	114.3
793	L	93.2	Very high	94.4	Very high	53 Å²	53	57.4 Å²	57.4	28%	0.277	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-6.2	172.2	-57.6	-179.8	0	0	0	114	L665 L668 F763 L765 P791	L665-L793 HydrophobicContact CD2-CB 4.42Å; L665-L793 WeakPolarHBondContact CD2-O 3.39Å; L668-L793 HydrophobicContact CD1-CB 4.35Å; L668-L793 HydrophobicContact CD1-CD1 3.7Å; F763-L793 HydrophobicContact CB-CB 4.47Å; F763-L793 HydrophobicContact CD1-CB 4.08Å; F763-L793 WeakPolarHBondContact O-CB 3.41Å; F763-L793 PolarHBondContact O-N 3.43Å; L765-L793 HydrophobicContact CD1-CD1 4.11Å; L765-L793 HydrophobicContact CD2-CD1 3.72Å; L765-L793 HydrophobicContact CG-CD1 3.82Å; P791-L793 PolarHBondContact O-N 3.15Å
794	A	93.5	Very high	94.8	Very high	9 Å²	9	56.5 Å²	56.5	7%	0.074	31%	0.308	C	S	.	.			trans	-77.3	136.4	-179.6	0	0	0	0	0	110.8	F763 K790 P791 V798 M802	F763-A794 HydrophobicContact CB-CB 4.41Å; F763-A794 HydrophobicContact CD1-CB 4.44Å; K790-A794 WeakPolarHBondContact CE-O 3.41Å; K790-A794 HydrophobicContact CG-CB 4.29Å; K790-A794 PolarHBondContact NZ-O 3.18Å; P791-A794 HydrophobicContact CB-CB 4.01Å; P791-A794 HydrophobicContact CG-CB 4.21Å; P791-A794 PolarHBondContact O-N 3.49Å; P791-A794 VanDerWaalsContact O-N 3.12Å; A794-V798 HydrophobicContact CB-CB 4.29Å; A794-V798 HydrophobicContact CB-CG1 3.89Å; A794-M802 HydrophobicContact CB-CE 4.41Å
795	N	91.8	Very high	95.1	Very high	38 Å²	38	51 Å²	51	20%	0.203	28%	0.283	C	S	.	.			trans	-78.3	-179.5	160.3	85.8	-18.5	0	0	0	109.9	K790 D797 V798 F799	K790-N795 WeakPolarHBondContact CE-O 3.47Å; N795-D797 PolarHBondContact ND2-OD2 3.05Å; N795-D797 PolarHBondContact OD1-N 2.89Å; N795-V798 WeakPolarHBondContact OD1-CB 3.38Å; N795-V798 WeakPolarHBondContact OD1-CG2 3.39Å; N795-V798 PolarHBondContact OD1-N 2.89Å; N795-F799 PolarHBondContact O-N 2.87Å
796	D	92.8	Very high	95.4	Very high	111 Å²	111	48.7 Å²	48.7	59%	0.594	26%	0.258	S	S	*	.	H	α-helix	trans	-70.3	-35	-179	-70.9	-44.5	0	0	0	113.1	K790 F799 A800	K790-D796 IonicContact NZ-OD1 2.64Å; K790-D796 PolarHBondContact NZ-OD1 2.97Å; K790-D796 IonicContact NZ-OD2 2.66Å; D796-F799 PolarHBondContact O-N 3.31Å; D796-A800 WeakPolarHBondContact O-CB 3.25Å; D796-A800 PolarHBondContact O-N 3.4Å
797	D	91.2	Very high	95.6	Very high	97 Å²	97	46.7 Å²	46.7	52%	0.519	25%	0.248	S	C	.	.	H	α-helix	trans	-65.1	-45.3	177.6	-46.1	-71.8	0	0	0	111.6	N795 F799 A800 I801	N795-D797 PolarHBondContact ND2-OD2 3.05Å; N795-D797 PolarHBondContact OD1-N 2.89Å; D797-F799 VanDerWaalsContact C-N 3.28Å; D797-F799 PolarHBondContact O-N 2.94Å; D797-A800 WeakPolarHBondContact O-CB 3.14Å; D797-A800 PolarHBondContact O-N 3.49Å; D797-I801 VanDerWaalsContact O-CG1 3.29Å; D797-I801 WeakPolarHBondContact O-CG1 3.35Å; D797-I801 PolarHBondContact O-N 2.93Å
798	V	95.3	Very high	95.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.4	-39.5	175.7	170.4	0	0	0	0	111.1	Y669 F763 A794 N795 I801 M802 L826	Y669-V798 HydrophobicContact CE1-CG2 3.69Å; F763-V798 HydrophobicContact CD1-CG1 4.21Å; F763-V798 HydrophobicContact CD2-CG1 4.13Å; F763-V798 HydrophobicContact CE1-CG1 4.04Å; F763-V798 HydrophobicContact CE2-CG1 3.97Å; F763-V798 HydrophobicContact CG-CG1 4.26Å; F763-V798 HydrophobicContact CZ-CG1 3.93Å; F763-V798 HydrophobicContact CZ-CG2 4.48Å; A794-V798 HydrophobicContact CB-CB 4.29Å; A794-V798 HydrophobicContact CB-CG1 3.89Å; N795-V798 WeakPolarHBondContact OD1-CB 3.38Å; N795-V798 WeakPolarHBondContact OD1-CG2 3.39Å; N795-V798 PolarHBondContact OD1-N 2.89Å; V798-I801 PolarHBondContact O-N 3.48Å; V798-M802 HydrophobicContact CG1-CE 3.6Å; V798-M802 WeakPolarHBondContact O-CG 3.5Å; V798-M802 PolarHBondContact O-N 3.1Å; V798-M802 VanDerWaalsContact O-N 3.09Å; V798-L826 HydrophobicContact CG2-CD1 4.02Å
799	F	97.5	Very high	95.5	Very high	51 Å²	51	54 Å²	54	22%	0.224	28%	0.283	C	S	.	.	H	α-helix	trans	-72.9	-33.9	176.6	-173.2	-120.4	0	0	0	112.7	K790 N795 D796 D797 M802 H803 W806	K790-F799 VanDerWaalsContact CA-CE2 3.45Å; K790-F799 HydrophobicContact CB-CD1 3.93Å; K790-F799 HydrophobicContact CB-CD2 3.88Å; K790-F799 HydrophobicContact CB-CE1 4.01Å; K790-F799 HydrophobicContact CB-CE2 3.97Å; K790-F799 HydrophobicContact CB-CG 3.86Å; K790-F799 HydrophobicContact CB-CZ 4.03Å; K790-F799 HydrophobicContact CD-CB 4.19Å; K790-F799 HydrophobicContact CD-CD1 4.22Å; K790-F799 HydrophobicContact CD-CG 4.21Å; K790-F799 HydrophobicContact CG-CB 3.98Å; K790-F799 HydrophobicContact CG-CD1 4.13Å; K790-F799 HydrophobicContact CG-CD2 4.07Å; K790-F799 HydrophobicContact CG-CG 3.78Å; N795-F799 PolarHBondContact O-N 2.87Å; D796-F799 PolarHBondContact O-N 3.31Å; D797-F799 VanDerWaalsContact C-N 3.28Å; D797-F799 PolarHBondContact O-N 2.94Å; F799-M802 HydrophobicContact CD2-SD 4.16Å; F799-M802 PolarHBondContact O-N 3.35Å; F799-H803 WeakPolarHBondContact O-CB 3.4Å; F799-H803 PolarHBondContact O-N 3.01Å; F799-W806 HydrophobicContact CE2-CZ3 4.38Å
800	A	97.3	Very high	95.5	Very high	47 Å²	47	51.4 Å²	51.4	39%	0.388	27%	0.266	S	S	.	.	H	α-helix	trans	-61.6	-43.6	170.5	0	0	0	0	0	111.4	D796 D797 M802 H803 D804	D796-A800 WeakPolarHBondContact O-CB 3.25Å; D796-A800 PolarHBondContact O-N 3.4Å; D797-A800 WeakPolarHBondContact O-CB 3.14Å; D797-A800 PolarHBondContact O-N 3.49Å; A800-M802 PolarHBondContact O-N 3.15Å; A800-H803 WeakPolarHBondContact O-CB 2.96Å; A800-H803 PolarHBondContact O-N 2.57Å; A800-H803 VanDerWaalsContact O-N 3.12Å; A800-D804 PolarHBondContact O-N 2.94Å
801	I	97.2	Very high	95.4	Very high	22 Å²	22	54.2 Å²	54.2	11%	0.113	29%	0.285	C	S	.	.	H	α-helix	trans	-59.9	-44.5	174.7	-62.4	159.9	0	0	0	111.3	L759 D797 V798 H803 D804 C805 L819 V822 F823 L826	L759-I801 HydrophobicContact CD1-CG2 4.44Å; D797-I801 VanDerWaalsContact O-CG1 3.29Å; D797-I801 WeakPolarHBondContact O-CG1 3.35Å; D797-I801 PolarHBondContact O-N 2.93Å; V798-I801 PolarHBondContact O-N 3.48Å; I801-H803 VanDerWaalsContact C-N 3.31Å; I801-H803 PolarHBondContact O-N 3.15Å; I801-D804 PolarHBondContact O-N 3.01Å; I801-C805 PolarHBondContact O-N 3.22Å; I801-C805 PolarHBondContact O-SG 3.48Å; I801-C805 VanDerWaalsContact O-SG 3.36Å; I801-L819 HydrophobicContact CG2-CD2 3.52Å; I801-V822 HydrophobicContact CD1-CB 4.42Å; I801-V822 HydrophobicContact CD1-CG1 3.42Å; I801-V822 VanDerWaalsContact CD1-CG1 3.42Å; I801-V822 HydrophobicContact CG1-CG1 4.34Å; I801-F823 HydrophobicContact CD1-CZ 4.35Å; I801-F823 HydrophobicContact CG2-CE2 3.94Å; I801-F823 HydrophobicContact CG2-CZ 4.29Å; I801-L826 HydrophobicContact CD1-CD1 4.41Å
802	M	98.3	Very high	95.5	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-59.1	-43.2	174.4	-68.7	169.5	-171.4	0	0	111.5	L759 F763 P791 A794 V798 F799 A800 C805 W806	L759-M802 HydrophobicContact CB-CE 3.83Å; L759-M802 HydrophobicContact CB-CG 4.05Å; L759-M802 HydrophobicContact CD1-CG 4.3Å; F763-M802 HydrophobicContact CB-CE 3.94Å; F763-M802 HydrophobicContact CD2-CE 3.67Å; F763-M802 HydrophobicContact CE2-CE 4.48Å; F763-M802 HydrophobicContact CG-CE 3.96Å; P791-M802 HydrophobicContact CG-CE 3.98Å; P791-M802 HydrophobicContact CG-SD 3.89Å; A794-M802 HydrophobicContact CB-CE 4.41Å; V798-M802 HydrophobicContact CG1-CE 3.6Å; V798-M802 WeakPolarHBondContact O-CG 3.5Å; V798-M802 PolarHBondContact O-N 3.1Å; V798-M802 VanDerWaalsContact O-N 3.09Å; F799-M802 HydrophobicContact CD2-SD 4.16Å; F799-M802 PolarHBondContact O-N 3.35Å; A800-M802 PolarHBondContact O-N 3.15Å; M802-C805 WeakPolarHBondContact O-CB 3.37Å; M802-C805 PolarHBondContact O-N 2.84Å; M802-W806 HydrophobicContact CB-CE3 4.41Å; M802-W806 HydrophobicContact CB-CH2 3.87Å; M802-W806 HydrophobicContact CB-CZ2 4.25Å; M802-W806 HydrophobicContact CB-CZ3 3.96Å; M802-W806 HydrophobicContact CG-CH2 4.5Å; M802-W806 VanDerWaalsContact O-CG 3.31Å; M802-W806 PolarHBondContact O-N 3.41Å; M802-W806 VanDerWaalsContact O-N 3.16Å
803	H	97.1	Very high	95.8	Very high	97 Å²	97	52 Å²	52	45%	0.449	28%	0.284	S	S	.	.	H	α-helix	trans	-64.6	-41.2	178.9	-174.7	-84	0	0	0	112.4	F799 A800 I801 W806 A807	F799-H803 WeakPolarHBondContact O-CB 3.4Å; F799-H803 PolarHBondContact O-N 3.01Å; A800-H803 WeakPolarHBondContact O-CB 2.96Å; A800-H803 PolarHBondContact O-N 2.57Å; A800-H803 VanDerWaalsContact O-N 3.12Å; I801-H803 VanDerWaalsContact C-N 3.31Å; I801-H803 PolarHBondContact O-N 3.15Å; H803-W806 CarbonylContact O-C 3.59Å; H803-W806 VanDerWaalsContact O-C 3.29Å; H803-W806 WeakPolarHBondContact O-CA 3.35Å; H803-W806 PolarHBondContact O-N 2.98Å; H803-A807 PolarHBondContact O-N 3.36Å
804	D	97.9	Very high	96	Very high	85 Å²	85	50.7 Å²	50.7	46%	0.455	28%	0.279	S	S	.	.	H	α-helix	trans	-67.1	-37.9	175.9	-70.5	-14.4	0	0	0	111.9	A800 I801 W806 A807	A800-D804 PolarHBondContact O-N 2.94Å; I801-D804 PolarHBondContact O-N 3.01Å; D804-W806 PolarHBondContact O-N 2.83Å; D804-A807 WeakPolarHBondContact O-CB 3.44Å; D804-A807 PolarHBondContact O-N 3.24Å; D804-A807 VanDerWaalsContact O-N 3.15Å
805	C	98.4	Very high	96.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-59.1	-27.6	168.2	-71.4	0	0	0	0	112.8	V752 W753 I801 M802 R813	V752-C805 HydrophobicContact CG1-CB 4.11Å; W753-C805 WeakPolarHBondContact CA-O 3.37Å; I801-C805 PolarHBondContact O-N 3.22Å; I801-C805 PolarHBondContact O-SG 3.48Å; I801-C805 VanDerWaalsContact O-SG 3.36Å; M802-C805 WeakPolarHBondContact O-CB 3.37Å; M802-C805 PolarHBondContact O-N 2.84Å; C805-R813 WeakPolarHBondContact O-CD 3.48Å
806	W	97.9	Very high	96.5	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.008	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	19.5	176.9	-53	-38.1	0	0	0	114.6	W753 G756 I757 W760 R787 L788 F799 M802 H803 D804 Y808	W753-W806 AromaticContact CD2-CD1 3.95Å; W753-W806 HydrophobicContact CE3-CB 4.23Å; W753-W806 HydrophobicContact CH2-CB 4.18Å; W753-W806 HydrophobicContact CZ3-CB 3.99Å; W753-W806 VanDerWaalsContact CZ3-O 3.25Å; W753-W806 WeakPolarHBondContact CZ3-O 3.32Å; G756-W806 VanDerWaalsContact O-CZ2 3.29Å; G756-W806 WeakPolarHBondContact O-CZ2 3.49Å; I757-W806 HydrophobicContact CD1-CZ2 3.85Å; W760-W806 HydrophobicContact CB-CH2 4.05Å; W760-W806 HydrophobicContact CB-CZ2 3.97Å; W760-W806 AromaticContact CD1-CH2 3.83Å; W760-W806 HydrophobicContact CG-CH2 4.19Å; W760-W806 HydrophobicContact CG-CZ2 4.49Å; R787-W806 HydrophobicContact CB-CE3 3.99Å; R787-W806 HydrophobicContact CB-CZ3 4.39Å; R787-W806 HydrophobicContact CG-CE3 4.32Å; R787-W806 PolarHBondContact NE-O 2.89Å; R787-W806 PolarHBondContact NH2-O 3.44Å; L788-W806 HydrophobicContact CB-CH2 3.8Å; L788-W806 HydrophobicContact CB-CZ3 4.07Å; L788-W806 HydrophobicContact CD1-CH2 4.06Å; L788-W806 HydrophobicContact CD1-CZ2 4Å; L788-W806 HydrophobicContact CG-CH2 4.4Å; F799-W806 HydrophobicContact CE2-CZ3 4.38Å; M802-W806 HydrophobicContact CB-CE3 4.41Å; M802-W806 HydrophobicContact CB-CH2 3.87Å; M802-W806 HydrophobicContact CB-CZ2 4.25Å; M802-W806 HydrophobicContact CB-CZ3 3.96Å; M802-W806 HydrophobicContact CG-CH2 4.5Å; M802-W806 VanDerWaalsContact O-CG 3.31Å; M802-W806 PolarHBondContact O-N 3.41Å; M802-W806 VanDerWaalsContact O-N 3.16Å; H803-W806 CarbonylContact O-C 3.59Å; H803-W806 VanDerWaalsContact O-C 3.29Å; H803-W806 WeakPolarHBondContact O-CA 3.35Å; H803-W806 PolarHBondContact O-N 2.98Å; D804-W806 PolarHBondContact O-N 2.83Å; W806-Y808 PolarHBondContact O-N 3.15Å
807	A	97.2	Very high	96.7	Very high	22 Å²	22	48.5 Å²	48.5	18%	0.182	28%	0.275	C	S	.	.			trans	-56.5	131.4	169	0	0	0	0	0	110.1	H803 D804 N809 A812 R813	H803-A807 PolarHBondContact O-N 3.36Å; D804-A807 WeakPolarHBondContact O-CB 3.44Å; D804-A807 PolarHBondContact O-N 3.24Å; D804-A807 VanDerWaalsContact O-N 3.15Å; A807-N809 PolarHBondContact O-N 3.4Å; A807-A812 HydrophobicContact CB-CB 3.99Å; A807-R813 HydrophobicContact CB-CG 3.94Å; A807-R813 PolarHBondContact O-NE 2.98Å; A807-R813 PolarHBondContact O-NH2 3.39Å
808	Y	94.6	Very high	97	Very high	115 Å²	115	49.1 Å²	49.1	45%	0.451	28%	0.275	S	S	.	.	S	Bend	trans	-65	-43.2	-173.6	-170.3	-88.8	0	0	0	111.5	P738 W806 P810 R813	P738-Y808 HydrophobicContact CB-CE2 4Å; P738-Y808 HydrophobicContact CG-CD2 4.06Å; P738-Y808 HydrophobicContact CG-CE2 3.9Å; W806-Y808 PolarHBondContact O-N 3.15Å; Y808-P810 WeakPolarHBondContact O-CD 3.49Å; Y808-R813 PolarHBondContact O-NH2 3.21Å
809	N	94.3	Very high	97.2	Very high	83 Å²	83	49.3 Å²	49.3	44%	0.444	28%	0.276	S	S	.	.	S	Bend	trans	-72.3	123.6	171	-175	25.3	0	0	0	110.6	A807 D811 A812	A807-N809 PolarHBondContact O-N 3.4Å; N809-D811 VanDerWaalsContact C-N 3.27Å; N809-D811 PolarHBondContact O-N 3Å; N809-A812 HydrophobicContact CB-CB 4.22Å; N809-A812 PolarHBondContact O-N 3.01Å; N809-A812 VanDerWaalsContact O-N 3.14Å
810	P	95.7	Very high	97.2	Very high	35 Å²	35	48.6 Å²	48.6	23%	0.227	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-55.7	-38.1	176.1	-26.9	36.1	0	0	0	113.9	E739 A749 Y808 A812 R813	E739-P810 HydrophobicContact CG-CG 4.12Å; A749-P810 HydrophobicContact CB-CB 3.93Å; Y808-P810 WeakPolarHBondContact O-CD 3.49Å; P810-A812 PolarHBondContact O-N 3.24Å; P810-A812 VanDerWaalsContact O-N 3.15Å; P810-R813 WeakPolarHBondContact O-CB 3.19Å; P810-R813 PolarHBondContact O-N 3.48Å; P810-R813 VanDerWaalsContact O-N 3.14Å
811	D	95.4	Very high	97.1	Very high	146 Å²	146	49.1 Å²	49.1	78%	0.781	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-70.2	-9.5	-177.9	-45.9	-37.7	0	0	0	113.7	N809	N809-D811 VanDerWaalsContact C-N 3.27Å; N809-D811 PolarHBondContact O-N 3Å
812	A	97.1	Very high	97	Very high	62 Å²	62	51.1 Å²	51.1	51%	0.512	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-97.8	-2.2	176.8	0	0	0	0	0	113.1	A807 N809 P810	A807-A812 HydrophobicContact CB-CB 3.99Å; N809-A812 HydrophobicContact CB-CB 4.22Å; N809-A812 PolarHBondContact O-N 3.01Å; N809-A812 VanDerWaalsContact O-N 3.14Å; P810-A812 PolarHBondContact O-N 3.24Å; P810-A812 VanDerWaalsContact O-N 3.15Å
813	R	98	Very high	96.8	Very high	17 Å²	17	51.1 Å²	51.1	6%	0.064	29%	0.291	C	S	.	.	S	Bend	trans	-84.7	145.4	177	-58.6	176.4	-162.7	150.4	11.2	109.9	E739 A749 V752 C805 A807 Y808 P810	E739-R813 IonicContact OE1-CZ 3.45Å; E739-R813 IonicContact OE1-NH1 2.65Å; E739-R813 PolarHBondContact OE1-NH1 2.82Å; E739-R813 IonicContact OE1-NH2 2.77Å; E739-R813 PolarHBondContact OE1-NH2 2.73Å; E739-R813 IonicContact OE2-CZ 3.54Å; E739-R813 IonicContact OE2-NH1 2.71Å; E739-R813 IonicContact OE2-NH2 3.48Å; E739-R813 PolarHBondContact OE2-NH2 3.06Å; A749-R813 WeakPolarHBondContact O-CD 3.24Å; A749-R813 PolarHBondContact O-NH1 2.71Å; V752-R813 HydrophobicContact CG1-CB 3.98Å; C805-R813 WeakPolarHBondContact O-CD 3.48Å; A807-R813 HydrophobicContact CB-CG 3.94Å; A807-R813 PolarHBondContact O-NE 2.98Å; A807-R813 PolarHBondContact O-NH2 3.39Å; Y808-R813 PolarHBondContact O-NH2 3.21Å; P810-R813 WeakPolarHBondContact O-CB 3.19Å; P810-R813 PolarHBondContact O-N 3.48Å; P810-R813 VanDerWaalsContact O-N 3.14Å
814	P	97.9	Very high	96.6	Very high	25 Å²	25	51.4 Å²	51.4	16%	0.162	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-68.5	153.4	177.6	29	-35.7	0	0	0	112	V752 Q818 L819	V752-P814 HydrophobicContact CG1-CG 4.35Å; V752-P814 WeakPolarHBondContact CG1-O 3.37Å; V752-P814 WeakPolarHBondContact CG2-O 3.33Å; P814-Q818 VanDerWaalsContact CA-OE1 3.27Å; P814-Q818 HydrophobicContact CB-CB 4.29Å; P814-L819 HydrophobicContact CB-CD2 4.34Å; P814-L819 HydrophobicContact CB-CG 4.17Å; P814-L819 HydrophobicContact CG-CD1 4.19Å; P814-L819 HydrophobicContact CG-CD2 3.76Å; P814-L819 HydrophobicContact CG-CG 3.95Å
815	T	97.7	Very high	96.2	Very high	60 Å²	60	52.6 Å²	52.6	37%	0.368	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-78	162	172.8	68	0	0	0	0	111.6	A817 Q818 L819	T815-A817 PolarHBondContact O-N 2.86Å; T815-Q818 WeakPolarHBondContact O-CB 3.35Å; T815-Q818 PolarHBondContact O-N 3.35Å; T815-Q818 VanDerWaalsContact O-N 3.07Å; T815-Q818 WeakPolarHBondContact OG1-CG 3.33Å; T815-Q818 PolarHBondContact OG1-N 3.38Å; T815-L819 WeakPolarHBondContact O-CG 3.44Å; T815-L819 PolarHBondContact O-N 3.06Å
816	F	98.3	Very high	95.8	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-65.2	-28.6	176.6	-76.9	-68.4	0	0	0	113.1	M679 E683 L692 D751 V752 F755 L819 L820	M679-F816 HydrophobicContact CB-CB 4.3Å; M679-F816 HydrophobicContact CB-CD1 3.33Å; M679-F816 HydrophobicContact CB-CD2 3.83Å; M679-F816 HydrophobicContact CB-CE1 3.4Å; M679-F816 VanDerWaalsContact CB-CE1 3.4Å; M679-F816 HydrophobicContact CB-CE2 3.87Å; M679-F816 HydrophobicContact CB-CG 3.55Å; M679-F816 HydrophobicContact CB-CZ 3.66Å; M679-F816 HydrophobicContact CE-CD2 4.4Å; M679-F816 HydrophobicContact CE-CE2 3.64Å; M679-F816 HydrophobicContact CE-CZ 3.71Å; M679-F816 HydrophobicContact CG-CD1 4.15Å; M679-F816 HydrophobicContact CG-CE1 3.71Å; M679-F816 HydrophobicContact CG-CE2 4.4Å; M679-F816 HydrophobicContact CG-CZ 3.84Å; E683-F816 PolarHBondContact OE2-N 3.17Å; L692-F816 HydrophobicContact CD2-CZ 4.46Å; D751-F816 HydrophobicContact CB-CE2 3.92Å; D751-F816 HydrophobicContact CB-CZ 3.98Å; V752-F816 HydrophobicContact CB-CZ 4.33Å; V752-F816 HydrophobicContact CG2-CD1 4.42Å; V752-F816 HydrophobicContact CG2-CD2 3.85Å; V752-F816 HydrophobicContact CG2-CE1 4.11Å; V752-F816 HydrophobicContact CG2-CE2 3.5Å; V752-F816 HydrophobicContact CG2-CG 4.31Å; V752-F816 HydrophobicContact CG2-CZ 3.65Å; F755-F816 HydrophobicContact CB-CE1 3.83Å; F755-F816 HydrophobicContact CB-CZ 4.21Å; F755-F816 HydrophobicContact CD1-CE1 4.22Å; F755-F816 HydrophobicContact CD2-CE1 4.48Å; F755-F816 AromaticContact CG-CE1 3.94Å; F755-F816 HydrophobicContact CG-CE1 3.94Å; F816-L819 HydrophobicContact CD1-CD1 3.97Å; F816-L819 HydrophobicContact CE1-CD1 4.25Å; F816-L819 PolarHBondContact O-N 3.21Å; F816-L820 VanDerWaalsContact O-CB 3.23Å; F816-L820 WeakPolarHBondContact O-CB 3.13Å; F816-L820 PolarHBondContact O-N 3.26Å
817	A	97.1	Very high	95.1	Very high	52 Å²	52	54.2 Å²	54.2	43%	0.43	31%	0.308	S	S	.	.	H	α-helix	trans	-63.5	-37.3	171	0	0	0	0	0	113.1	T815 A821	T815-A817 PolarHBondContact O-N 2.86Å; A817-A821 PolarHBondContact O-N 3.25Å
818	Q	97.6	Very high	94.2	Very high	110 Å²	110	57.7 Å²	57.7	51%	0.514	33%	0.327	S	S	.	.	H	α-helix	trans	-70.4	-46.8	175	-70.9	169.1	-32.7	0	0	111.2	P814 T815 L820 A821 V822	P814-Q818 VanDerWaalsContact CA-OE1 3.27Å; P814-Q818 HydrophobicContact CB-CB 4.29Å; T815-Q818 WeakPolarHBondContact O-CB 3.35Å; T815-Q818 PolarHBondContact O-N 3.35Å; T815-Q818 VanDerWaalsContact O-N 3.07Å; T815-Q818 WeakPolarHBondContact OG1-CG 3.33Å; T815-Q818 PolarHBondContact OG1-N 3.38Å; Q818-L820 VanDerWaalsContact C-N 3.32Å; Q818-L820 PolarHBondContact O-N 2.91Å; Q818-A821 PolarHBondContact O-N 2.9Å; Q818-V822 PolarHBondContact O-N 2.65Å
819	L	98.1	Very high	93.3	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.021	32%	0.316	C	S	.	.	H	α-helix	trans	-60.2	-41.1	177.8	-69.3	164.5	0	0	0	112.2	A676 V752 F755 I801 P814 T815 F816 V822 F823	A676-L819 HydrophobicContact CB-CB 4.4Å; V752-L819 HydrophobicContact CG1-CD1 4.05Å; V752-L819 HydrophobicContact CG2-CD1 4.25Å; F755-L819 HydrophobicContact CD1-CD1 3.78Å; F755-L819 HydrophobicContact CD1-CD2 4.49Å; F755-L819 HydrophobicContact CE1-CB 4.22Å; F755-L819 HydrophobicContact CE1-CD1 4.02Å; F755-L819 HydrophobicContact CE1-CD2 4.21Å; F755-L819 HydrophobicContact CE1-CG 4.39Å; I801-L819 HydrophobicContact CG2-CD2 3.52Å; P814-L819 HydrophobicContact CB-CD2 4.34Å; P814-L819 HydrophobicContact CB-CG 4.17Å; P814-L819 HydrophobicContact CG-CD1 4.19Å; P814-L819 HydrophobicContact CG-CD2 3.76Å; P814-L819 HydrophobicContact CG-CG 3.95Å; T815-L819 WeakPolarHBondContact O-CG 3.44Å; T815-L819 PolarHBondContact O-N 3.06Å; F816-L819 HydrophobicContact CD1-CD1 3.97Å; F816-L819 HydrophobicContact CE1-CD1 4.25Å; F816-L819 PolarHBondContact O-N 3.21Å; L819-V822 PolarHBondContact O-N 2.95Å; L819-F823 WeakPolarHBondContact O-CD2 3.48Å; L819-F823 PolarHBondContact O-N 3.19Å
820	L	97.9	Very high	91.6	Very high	37 Å²	37	50.8 Å²	50.8	19%	0.194	30%	0.298	C	S	.	.	H	α-helix	trans	-58.4	-48.2	174.1	173.8	58.6	0	0	0	111.5	M673 A676 F816 Q818 V822 F823 Q824	M673-L820 HydrophobicContact CG-CD1 3.99Å; A676-L820 HydrophobicContact CB-CB 4.16Å; F816-L820 VanDerWaalsContact O-CB 3.23Å; F816-L820 WeakPolarHBondContact O-CB 3.13Å; F816-L820 PolarHBondContact O-N 3.26Å; Q818-L820 VanDerWaalsContact C-N 3.32Å; Q818-L820 PolarHBondContact O-N 2.91Å; L820-V822 VanDerWaalsContact C-N 3.3Å; L820-V822 PolarHBondContact O-N 3.1Å; L820-F823 PolarHBondContact O-N 3.36Å; L820-Q824 WeakPolarHBondContact O-CB 3.23Å; L820-Q824 PolarHBondContact O-N 3.07Å
821	A	95.6	Very high	89.1	Confident	57 Å²	57	59.7 Å²	59.7	47%	0.471	33%	0.329	S	S	.	.	H	α-helix	trans	-60.7	-38.7	-179.6	0	0	0	0	0	112.5	A817 Q818 H825	A817-A821 PolarHBondContact O-N 3.25Å; Q818-A821 PolarHBondContact O-N 2.9Å; A821-H825 PolarHBondContact O-N 3.41Å; A821-H825 VanDerWaalsContact O-N 3.16Å
822	V	94.8	Very high	86.9	Confident	64 Å²	64	60.2 Å²	60.2	39%	0.388	33%	0.327	S	S	.	.	H	α-helix	trans	-72.1	-48.9	178.6	-177.5	0	0	0	0	111.7	I801 Q818 L819 L820 Q824 H825 L826	I801-V822 HydrophobicContact CD1-CB 4.42Å; I801-V822 HydrophobicContact CD1-CG1 3.42Å; I801-V822 VanDerWaalsContact CD1-CG1 3.42Å; I801-V822 HydrophobicContact CG1-CG1 4.34Å; Q818-V822 PolarHBondContact O-N 2.65Å; L819-V822 PolarHBondContact O-N 2.95Å; L820-V822 VanDerWaalsContact C-N 3.3Å; L820-V822 PolarHBondContact O-N 3.1Å; V822-Q824 VanDerWaalsContact C-N 3.3Å; V822-Q824 PolarHBondContact O-N 3.48Å; V822-H825 WeakPolarHBondContact O-CB 3.45Å; V822-H825 PolarHBondContact O-N 3.01Å; V822-H825 VanDerWaalsContact O-N 3.17Å; V822-L826 HydrophobicContact CG1-CD1 4.31Å; V822-L826 WeakPolarHBondContact O-CG 3.49Å; V822-L826 PolarHBondContact O-N 3.32Å
823	F	94.5	Very high	84.2	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-68.9	-27.7	178.1	-79.4	-69.9	0	0	0	113.2	Y669 M673 F755 L759 I801 L819 L820 L826 A827	Y669-F823 HydrophobicContact CD1-CD1 4.43Å; Y669-F823 HydrophobicContact CD1-CE1 4.47Å; M673-F823 HydrophobicContact CB-CB 3.99Å; F755-F823 HydrophobicContact CE1-CD2 4.32Å; F755-F823 AromaticContact CE1-CE2 3.98Å; F755-F823 HydrophobicContact CE1-CE2 3.98Å; F755-F823 HydrophobicContact CZ-CD2 4.25Å; F755-F823 HydrophobicContact CZ-CE2 4.14Å; L759-F823 HydrophobicContact CD1-CE2 3.75Å; L759-F823 HydrophobicContact CD1-CZ 3.67Å; L759-F823 HydrophobicContact CD2-CE1 4.19Å; L759-F823 HydrophobicContact CD2-CE2 3.98Å; L759-F823 HydrophobicContact CD2-CZ 3.61Å; L759-F823 HydrophobicContact CG-CZ 4.3Å; I801-F823 HydrophobicContact CD1-CZ 4.35Å; I801-F823 HydrophobicContact CG2-CE2 3.94Å; I801-F823 HydrophobicContact CG2-CZ 4.29Å; L819-F823 WeakPolarHBondContact O-CD2 3.48Å; L819-F823 PolarHBondContact O-N 3.19Å; L820-F823 PolarHBondContact O-N 3.36Å; F823-L826 HydrophobicContact CD1-CD1 3.95Å; F823-L826 HydrophobicContact CE1-CD1 4.05Å; F823-A827 WeakPolarHBondContact O-CB 3.47Å; F823-A827 PolarHBondContact O-N 3.11Å
824	Q	91.9	Very high	81.4	Confident	103 Å²	103	62.8 Å²	62.8	48%	0.481	34%	0.336	S	S	.	.	H	α-helix	trans	-63.4	-44	169.8	-176	175.4	5.5	0	0	111.3	M673 L820 V822 A827 T828	M673-Q824 HydrophobicContact CG-CB 4.12Å; M673-Q824 HydrophobicContact SD-CB 4.01Å; M673-Q824 HydrophobicContact SD-CG 4.03Å; L820-Q824 WeakPolarHBondContact O-CB 3.23Å; L820-Q824 PolarHBondContact O-N 3.07Å; V822-Q824 VanDerWaalsContact C-N 3.3Å; V822-Q824 PolarHBondContact O-N 3.48Å; Q824-A827 PolarHBondContact O-N 3.3Å; Q824-T828 WeakPolarHBondContact O-CG2 3.45Å; Q824-T828 PolarHBondContact O-N 3.46Å; Q824-T828 PolarHBondContact O-OG1 2.71Å
825	H	89.8	Confident	78.5	Confident	110 Å²	110	70 Å²	70	51%	0.509	37%	0.367	S	S	.	.	H	α-helix	trans	-63.1	-45.2	175.5	-176.2	95	0	0	0	112.3	A821 V822 A827 T828 N829	A821-H825 PolarHBondContact O-N 3.41Å; A821-H825 VanDerWaalsContact O-N 3.16Å; V822-H825 WeakPolarHBondContact O-CB 3.45Å; V822-H825 PolarHBondContact O-N 3.01Å; V822-H825 VanDerWaalsContact O-N 3.17Å; H825-A827 PolarHBondContact O-N 3.31Å; H825-T828 PolarHBondContact O-N 3.5Å; H825-T828 PolarHBondContact O-OG1 2.93Å; H825-T828 VanDerWaalsContact O-OG1 3.07Å; H825-N829 PolarHBondContact CE1-ND2 3.21Å; H825-N829 PolarHBondContact ND1-ND2 3.2Å; H825-N829 PolarHBondContact NE2-ND2 3.16Å; H825-N829 VanDerWaalsContact NE2-ND2 3.19Å; H825-N829 WeakPolarHBondContact O-CB 3.48Å; H825-N829 PolarHBondContact O-N 3.37Å
826	L	89.7	Confident	75.2	Confident	11 Å²	11	72.5 Å²	72.5	6%	0.058	39%	0.385	C	S	.	.	H	α-helix	trans	-61.9	-42.9	176	-68	171.9	0	0	0	111.8	Y669 V798 I801 V822 F823 T828 N829 V830	Y669-L826 HydrophobicContact CD1-CB 3.96Å; Y669-L826 HydrophobicContact CD1-CD1 4.21Å; Y669-L826 HydrophobicContact CD2-CB 4.35Å; Y669-L826 HydrophobicContact CE1-CB 4.31Å; Y669-L826 HydrophobicContact CE1-CD1 4.12Å; Y669-L826 HydrophobicContact CG-CB 4.01Å; V798-L826 HydrophobicContact CG2-CD1 4.02Å; I801-L826 HydrophobicContact CD1-CD1 4.41Å; V822-L826 HydrophobicContact CG1-CD1 4.31Å; V822-L826 WeakPolarHBondContact O-CG 3.49Å; V822-L826 PolarHBondContact O-N 3.32Å; F823-L826 HydrophobicContact CD1-CD1 3.95Å; F823-L826 HydrophobicContact CE1-CD1 4.05Å; L826-T828 PolarHBondContact O-N 3.11Å; L826-N829 PolarHBondContact O-N 3.19Å; L826-V830 WeakPolarHBondContact O-CG2 3.43Å; L826-V830 PolarHBondContact O-N 2.99Å
827	A	83.7	Confident	72.3	Confident	25 Å²	25	78 Å²	78	21%	0.207	42%	0.421	C	S	.	.	H	α-helix	trans	-70.3	-27	179.5	0	0	0	0	0	113.7	M673 F823 Q824 H825 V830	M673-A827 HydrophobicContact CB-CB 4.4Å; M673-A827 HydrophobicContact CE-CB 4.45Å; M673-A827 HydrophobicContact SD-CB 4.05Å; F823-A827 WeakPolarHBondContact O-CB 3.47Å; F823-A827 PolarHBondContact O-N 3.11Å; Q824-A827 PolarHBondContact O-N 3.3Å; H825-A827 PolarHBondContact O-N 3.31Å; A827-V830 WeakPolarHBondContact O-CG2 3.45Å
828	T	78.7	Confident	69.3	Low	95 Å²	95	84.2 Å²	84.2	58%	0.583	44%	0.44	S	S	*	.	H	α-helix	trans	-80.3	-33.5	171.6	55.9	0	0	0	0	112.8	Q824 H825 L826	Q824-T828 WeakPolarHBondContact O-CG2 3.45Å; Q824-T828 PolarHBondContact O-N 3.46Å; Q824-T828 PolarHBondContact O-OG1 2.71Å; H825-T828 PolarHBondContact O-N 3.5Å; H825-T828 PolarHBondContact O-OG1 2.93Å; H825-T828 VanDerWaalsContact O-OG1 3.07Å; L826-T828 PolarHBondContact O-N 3.11Å
829	N	75.3	Confident	66.2	Low	41 Å²	41	85 Å²	85	22%	0.219	45%	0.453	C	S	.	.			trans	-108.8	27.9	-167.2	-57.4	-7.9	0	0	0	113	H825 L826 Y831 E832 N833	H825-N829 PolarHBondContact CE1-ND2 3.21Å; H825-N829 PolarHBondContact ND1-ND2 3.2Å; H825-N829 PolarHBondContact NE2-ND2 3.16Å; H825-N829 VanDerWaalsContact NE2-ND2 3.19Å; H825-N829 WeakPolarHBondContact O-CB 3.48Å; H825-N829 PolarHBondContact O-N 3.37Å; L826-N829 PolarHBondContact O-N 3.19Å; N829-Y831 PolarHBondContact O-N 2.89Å; N829-Y831 VanDerWaalsContact O-N 3.15Å; N829-E832 PolarHBondContact O-N 2.98Å; N829-N833 PolarHBondContact O-ND2 3.13Å
830	V	59.8	Low	63.2	Low	12 Å²	12	90.9 Å²	90.9	7%	0.073	49%	0.488	C	S	.	.	G	3₁₀ helix	trans	-53.8	-40.6	-173.5	-164.5	0	0	0	0	112.5	P666 Y669 L826 A827 E832 N833 V834	P666-V830 HydrophobicContact CB-CG1 4.27Å; P666-V830 HydrophobicContact CB-CG2 4.48Å; P666-V830 HydrophobicContact CG-CG1 3.95Å; Y669-V830 HydrophobicContact CD2-CG1 4.03Å; Y669-V830 HydrophobicContact CD2-CG2 4.17Å; Y669-V830 HydrophobicContact CE2-CG1 4.17Å; L826-V830 WeakPolarHBondContact O-CG2 3.43Å; L826-V830 PolarHBondContact O-N 2.99Å; A827-V830 WeakPolarHBondContact O-CG2 3.45Å; V830-E832 VanDerWaalsContact C-N 3.25Å; V830-E832 PolarHBondContact O-N 3.11Å; V830-N833 PolarHBondContact O-N 3.05Å; V830-V834 HydrophobicContact CG1-CG2 4.34Å; V830-V834 WeakPolarHBondContact O-CG2 3.47Å; V830-V834 PolarHBondContact O-N 3.27Å
831	Y	42.4	Very low	60	Low	222 Å²	222	94.4 Å²	94.4	87%	0.871	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-70	-14.6	-179.1	-63.9	-75.2	0	0	0	114.9	N829	N829-Y831 PolarHBondContact O-N 2.89Å; N829-Y831 VanDerWaalsContact O-N 3.15Å
832	E	49.8	Very low	57.3	Low	158 Å²	158	97.2 Å²	97.2	74%	0.738	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-86.8	-13.6	172	-59.4	-173.4	142.4	0	0	111.9	N829 V830	N829-E832 PolarHBondContact O-N 2.98Å; V830-E832 VanDerWaalsContact C-N 3.25Å; V830-E832 PolarHBondContact O-N 3.11Å
833	N	39.5	Very low	54.3	Low	56 Å²	56	98.1 Å²	98.1	30%	0.299	55%	0.547	S	S	.	.	S	Bend	trans	-116.2	9.7	-171	-67.3	-81.6	0	0	0	113.6	N829 V830	N829-N833 PolarHBondContact O-ND2 3.13Å; V830-N833 PolarHBondContact O-N 3.05Å
834	V	39	Very low	51.4	Low	77 Å²	77	105.7 Å²	105.7	47%	0.467	59%	0.588	S	S	.	*	S	Bend	trans	-105.3	112.1	172.5	172.7	0	0	0	0	108.4	L665 V830	L665-V834 HydrophobicContact CD1-CG2 4.24Å; V830-V834 HydrophobicContact CG1-CG2 4.34Å; V830-V834 WeakPolarHBondContact O-CG2 3.47Å; V830-V834 PolarHBondContact O-N 3.27Å
835	E	37.1	Very low	48.8	Very low	175 Å²	175	105 Å²	105	82%	0.818	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-59.8	134.9	169.6	-68.3	-167.4	135.7	0	0	109.8
836	P	29.8	Very low	46.1	Very low	114 Å²	114	107.1 Å²	107.1	74%	0.74	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-63.7	135.5	177	27.2	-33.7	0	0	0	109.3	E838	P836-E838 PolarHBondContact O-N 3.14Å
837	P	36.1	Very low	43.7	Very low	116 Å²	116	111.9 Å²	111.9	75%	0.753	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-59.5	131.8	-174.9	24	-34.2	0	0	0	110.8	V839	P837-V839 PolarHBondContact O-N 3.15Å
838	E	34.2	Very low	41.4	Very low	181 Å²	181	115.2 Å²	115.2	85%	0.846	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-53.6	116.7	178.6	-77.1	-158.7	128	0	0	110.5	P836 V840	P836-E838 PolarHBondContact O-N 3.14Å; E838-V840 VanDerWaalsContact C-N 3.31Å; E838-V840 PolarHBondContact O-N 3.14Å
839	V	32.6	Very low	39.1	Very low	127 Å²	127	116.2 Å²	116.2	77%	0.77	68%	0.677	S	S	*	*			trans	-74.8	89.6	176.4	-176.4	0	0	0	0	108	P837 V841	P837-V839 PolarHBondContact O-N 3.15Å; V839-V841 VanDerWaalsContact C-N 3.26Å; V839-V841 HydrophobicContact CG1-CG2 4.07Å; V839-V841 WeakPolarHBondContact O-CG2 3.42Å; V839-V841 PolarHBondContact O-N 3.29Å
840	V	35.7	Very low	37.2	Very low	127 Å²	127	123.7 Å²	123.7	77%	0.77	71%	0.708	S	S	*	*			trans	-66.2	85.8	173.6	-177.1	0	0	0	0	109.1	E838 P842	E838-V840 VanDerWaalsContact C-N 3.31Å; E838-V840 PolarHBondContact O-N 3.14Å; V840-P842 VanDerWaalsContact O-CD 3.3Å; V840-P842 WeakPolarHBondContact O-CD 3.39Å
841	V	31.1	Very low	36	Very low	112 Å²	112	127.6 Å²	127.6	68%	0.679	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-69.1	119.7	176.7	-174.4	0	0	0	0	109	V839 G843	V839-V841 VanDerWaalsContact C-N 3.26Å; V839-V841 HydrophobicContact CG1-CG2 4.07Å; V839-V841 WeakPolarHBondContact O-CG2 3.42Å; V839-V841 PolarHBondContact O-N 3.29Å; V841-G843 PolarHBondContact O-N 2.85Å
842	P	37.1	Very low	35.7	Very low	115 Å²	115	123.8 Å²	123.8	75%	0.747	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-62.6	123	173.1	-20.8	34	0	0	0	109.8	V840 N844	V840-P842 VanDerWaalsContact O-CD 3.3Å; V840-P842 WeakPolarHBondContact O-CD 3.39Å; P842-N844 PolarHBondContact O-N 3.25Å
843	G	33	Very low	35.2	Very low	83 Å²	83	124.2 Å²	124.2	86%	0.856	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-61.2	123.6	-171.2	0	0	0	0	0	112.9	V841	V841-G843 PolarHBondContact O-N 2.85Å
844	N	33	Very low	35.1	Very low	160 Å²	160	128.6 Å²	128.6	86%	0.856	76%	0.764	S	S	*	*			trans	-103.4	110.4	-179.5	-161.5	22.6	0	0	0	111	P842	P842-N844 PolarHBondContact O-N 3.25Å
845	A	38.7	Very low	35	Very low	89 Å²	89	128.3 Å²	128.3	74%	0.736	78%	0.777	S	S	*	*			trans	-76.7	133.7	173.7	0	0	0	0	0	110.7
846	N	32.2	Very low	35.1	Very low	154 Å²	154	128.2 Å²	128.2	82%	0.824	78%	0.78	S	S	*	*			trans	-55	155.9	171	-87	-52.6	0	0	0	112.1
847	P	38.5	Very low	35.4	Very low	110 Å²	110	126 Å²	126	71%	0.714	78%	0.778	S	S	*	*			cis	-146.2	177.2	32.3	42.4	-23.3	0	0	0	119.1
848	S	35.9	Very low	35.4	Very low	96 Å²	96	126.1 Å²	126.1	67%	0.671	78%	0.78	S	S	*	*			trans	91.2	101.3	142.1	71.9	0	0	0	0	122.3
849	C	30	Very low	35.7	Very low	115 Å²	115	125.5 Å²	125.5	78%	0.777	78%	0.777	S	S	*	*				81	129.5	121.5	-64.1	0	0	0	0	123.2
850	K	36.5	Very low	36	Very low	198 Å²	198	124.3 Å²	124.3	86%	0.861	77%	0.766	S	S	*	*			trans	83.1	105.1	166.3	-55.6	166.7	-174.7	174.3	0	113.9
851	A	34.6	Very low	36.1	Very low	95 Å²	95	124 Å²	124	79%	0.785	76%	0.76	S	S	*	*				63.2	123.5	64.9	0	0	0	0	0	111.7
852	V	35.8	Very low	36.4	Very low	141 Å²	141	124.7 Å²	124.7	86%	0.855	76%	0.76	S	S	*	*				-164.3	156.3	60.1	148.2	0	0	0	0	109.7
853	K	38.7	Very low	36.5	Very low	168 Å²	168	124.1 Å²	124.1	73%	0.73	76%	0.755	S	S	*	*			cis	-179.3	163.2	-23.8	-165.6	-165.4	169	-172	0	108
854	N	38.4	Very low	36.9	Very low	147 Å²	147	128.7 Å²	128.7	79%	0.786	75%	0.751	S	S	*	*			trans	76.5	144	173.9	-44	-24.2	0	0	0	114
855	G	37.1	Very low	37.2	Very low	72 Å²	72	126.6 Å²	126.6	74%	0.742	74%	0.74	S	S	*	*			cis	166.8	165	-3.2	0	0	0	0	0	108.9
856	I	38.8	Very low	37.2	Very low	172 Å²	172	128 Å²	128	88%	0.882	74%	0.735	S	S	*	*			cis	-154.4	143.4	10.3	-70.2	169.1	0	0	0	109.3
857	G	36.5	Very low	37.5	Very low	67 Å²	67	126.7 Å²	126.7	69%	0.691	73%	0.728	S	S	*	*			trans	67.4	152.1	147.5	0	0	0	0	0	119.6
858	C	35.4	Very low	37.5	Very low	120 Å²	120	128.8 Å²	128.8	81%	0.811	73%	0.732	S	S	*	*			cis	-144.4	136	2.6	-72.5	0	0	0	0	107.9
859	H	40.7	Very low	37.6	Very low	168 Å²	168	129.2 Å²	129.2	78%	0.778	74%	0.735	S	S	*	*				54.2	133.4	87.9	-81.8	-9.9	0	0	0	115
860	N	38.9	Very low	38	Very low	101 Å²	101	128.3 Å²	128.3	54%	0.54	73%	0.73	S	S	.	*			cis	-167.3	157.1	7.4	-122.7	-13.2	0	0	0	113.7
861	N	38.3	Very low	37.9	Very low	120 Å²	120	123.8 Å²	123.8	64%	0.642	72%	0.723	S	S	*	*			trans	52.9	146.8	141.4	-63.8	-18.2	0	0	0	119.5
862	N	37.4	Very low	38	Very low	128 Å²	128	125.3 Å²	125.3	68%	0.684	72%	0.722	S	S	*	*			cis	169.7	170.6	9.3	-102.7	-23.5	0	0	0	103.8
863	T	39.1	Very low	38.1	Very low	103 Å²	103	124.8 Å²	124.8	63%	0.632	72%	0.72	S	S	*	*			cis	-164.8	153	8.8	1.2	0	0	0	0	109.1
864	K	39.7	Very low	37.9	Very low	178 Å²	178	120.9 Å²	120.9	77%	0.774	72%	0.719	S	S	*	*			trans	39.5	144.9	132.4	-69.1	174.3	-171.9	176.7	0	120.4
865	N	39.5	Very low	38.1	Very low	117 Å²	117	119.9 Å²	119.9	63%	0.626	72%	0.721	S	S	*	*			cis	-171.6	155.1	31.2	-126.7	11.5	0	0	0	111.6
866	N	40.3	Very low	37.9	Very low	117 Å²	117	124.9 Å²	124.9	63%	0.626	72%	0.724	S	S	*	*			trans	39.5	151.5	131.3	-59.1	4.8	0	0	0	122.7
867	N	37.2	Very low	38	Very low	128 Å²	128	122 Å²	122	68%	0.684	72%	0.716	S	S	*	*			cis	-174.8	-171.9	-8.1	-96.3	-12.3	0	0	0	108.5
868	I	39.4	Very low	38	Very low	154 Å²	154	123.1 Å²	123.1	79%	0.79	71%	0.714	S	S	*	*			trans	78.8	107.2	160.7	-52.6	175	0	0	0	113.4
869	S	37.3	Very low	37.9	Very low	105 Å²	105	124.9 Å²	124.9	73%	0.734	71%	0.714	S	S	*	*				70.5	144.9	53.8	86.8	0	0	0	0	113.9
870	S	38	Very low	37.5	Very low	96 Å²	96	122.7 Å²	122.7	67%	0.671	71%	0.712	S	S	*	*			cis	-167.4	164.7	13.3	48.9	0	0	0	0	111.4
871	S	35.4	Very low	36.9	Very low	102 Å²	102	123.4 Å²	123.4	71%	0.713	72%	0.72	S	S	*	*			trans	60.9	144.2	152.6	54.4	0	0	0	0	119.2
872	T	36.9	Very low	36.5	Very low	127 Å²	127	123.1 Å²	123.1	78%	0.779	72%	0.723	S	S	*	*			cis	-149.7	-168.9	6.9	-4.1	0	0	0	0	108.2
873	T	36.5	Very low	36	Very low	131 Å²	131	122.5 Å²	122.5	80%	0.804	72%	0.724	S	S	*	*			cis	-151	-145.1	26.9	-31.3	0	0	0	0	111.3
874	A	34.6	Very low	35.6	Very low	86 Å²	86	126.1 Å²	126.1	71%	0.711	74%	0.736	S	S	*	*			trans	-156.4	-174.1	-176.7	0	0	0	0	0	108.1
875	P	42.6	Very low	35.2	Very low	126 Å²	126	121.4 Å²	121.4	82%	0.818	73%	0.73	S	S	*	*			cis	-144	175.7	20.8	43.3	-22.2	0	0	0	120.4
876	H	33.5	Very low	34.6	Very low	176 Å²	176	122.3 Å²	122.3	82%	0.815	74%	0.74	S	S	*	*			trans	-61.4	-177.7	167.3	-102.7	-54.6	0	0	0	115.8
877	P	40.8	Very low	34.1	Very low	111 Å²	111	122.1 Å²	122.1	72%	0.721	75%	0.748	S	S	*	*			cis	-132.3	-161.8	35.5	31.5	-4.7	0	0	0	114.5
878	S	35.9	Very low	33.6	Very low	92 Å²	92	121.7 Å²	121.7	64%	0.643	75%	0.75	S	S	*	*			cis	-159.7	163.8	18.8	-34.1	0	0	0	0	115
879	I	34.3	Very low	33.3	Very low	157 Å²	157	121.3 Å²	121.3	81%	0.805	75%	0.749	S	S	*	*				30	127.8	128.8	-68.7	166	0	0	0	117.5
880	V	32	Very low	33	Very low	121 Å²	121	124.1 Å²	124.1	73%	0.733	75%	0.751	S	S	*	*			cis	-135.9	171.1	17.3	-116.5	0	0	0	0	109.3
881	T	27	Very low	32.8	Very low	116 Å²	116	125.9 Å²	125.9	71%	0.712	75%	0.753	S	S	*	*			cis	72.3	145.3	33.9	-5.3	0	0	0	0	114.3
882	T	29.4	Very low	32.7	Very low	115 Å²	115	126.5 Å²	126.5	71%	0.706	75%	0.748	S	S	*	*			cis	-148.1	126.3	17.3	-58.1	0	0	0	0	107.6
883	T	27.6	Very low	32.5	Very low	114 Å²	114	126.1 Å²	126.1	70%	0.699	74%	0.742	S	S	*	*				72.9	151.6	64.8	45	0	0	0	0	118.9
884	M	30	Very low	32.3	Very low	179 Å²	179	126.9 Å²	126.9	88%	0.882	74%	0.736	S	S	*	*			trans	91.2	139.5	-178.4	-53.7	-60.6	-171.6	0	0	117
885	A	30.6	Very low	32.1	Very low	80 Å²	80	130.7 Å²	130.7	66%	0.661	74%	0.739	S	S	*	*			cis	-164.6	160.6	-21.3	0	0	0	0	0	112.3
886	T	27.4	Very low	31.5	Very low	135 Å²	135	132.4 Å²	132.4	83%	0.828	74%	0.739	S	S	*	*			trans	-4	155.4	154.9	60	0	0	0	0	120.8
887	S	30.2	Very low	31.2	Very low	114 Å²	114	129.6 Å²	129.6	80%	0.797	74%	0.74	S	S	*	*			cis	-161.2	173.5	36.1	58.8	0	0	0	0	116
888	T	26.8	Very low	30.7	Very low	119 Å²	119	128 Å²	128	73%	0.73	74%	0.743	S	S	*	*			trans	-78.8	156.6	-175.6	49.3	0	0	0	0	118
889	N	32.6	Very low	30.3	Very low	145 Å²	145	131.1 Å²	131.1	78%	0.775	75%	0.752	S	S	*	*			trans	-171	120.1	132.7	-87.5	-21.6	0	0	0	107.2
890	Q	30.8	Very low	29.9	Very low	165 Å²	165	131 Å²	131	77%	0.771	75%	0.753	S	S	*	*				81.8	140.6	59	-82.1	-162.6	-20.8	0	0	115.8
891	N	34.3	Very low	29.8	Very low	133 Å²	133	137.2 Å²	137.2	71%	0.711	76%	0.763	S	S	*	*			trans	73.3	141.3	176.1	-59.1	25.9	0	0	0	116.4
892	D	33.1	Very low	29.7	Very low	115 Å²	115	143.4 Å²	143.4	62%	0.615	77%	0.774	S	S	*	*			cis	-162.2	158.4	-10.4	-109.8	-35.7	0	0	0	111.9
893	N	33.5	Very low	29.7	Very low	119 Å²	119	147.4 Å²	147.4	64%	0.636	78%	0.784	S	S	*	*			trans	24.6	149.5	144.4	-57.6	-48.4	0	0	0	122.4
894	Q	30.6	Very low	29.6	Very low	147 Å²	147	147.8 Å²	147.8	69%	0.687	79%	0.787	S	S	*	*			cis	-169.9	175.9	-6.9	-111.6	171.2	39.7	0	0	109.1
895	H	30.3	Very low	29.5	Very low	166 Å²	166	145.6 Å²	145.6	77%	0.769	78%	0.779	S	S	*	*			trans	12.9	143.8	158.3	-60	-75.2	0	0	0	121
896	I	30.5	Very low	29.3	Very low	162 Å²	162	146.4 Å²	146.4	83%	0.831	78%	0.779	S	S	*	*				-159.1	154.9	63.6	-79.9	174.3	0	0	0	110.9
897	S	28	Very low	29.3	Very low	117 Å²	117	142.9 Å²	142.9	82%	0.818	76%	0.757	S	S	*	*			trans	-78.9	152.8	178.7	53.5	0	0	0	0	115.8
898	G	29.3	Very low	29.4	Very low	76 Å²	76	140 Å²	140	78%	0.784	73%	0.733	S	S	*	*			trans	-166.5	131.1	164.2	0	0	0	0	0	112.9
899	N	27.7	Very low	29.4	Very low	158 Å²	158	136.9 Å²	136.9	85%	0.845	71%	0.711	S	S	*	*			trans	-76.9	144.5	176.4	-74.8	-16.4	0	0	0	111.6
900	D	26.9	Very low	29.2	Very low	155 Å²	155	135 Å²	135	83%	0.829	69%	0.693	S	S	*	*				167.1	109.2	118.5	-91.3	-17.9	0	0	0	111.9
901	R	28.8	Very low	29	Very low	251 Å²	251	133.2 Å²	133.2	95%	0.947	69%	0.688	S	S	*	*			trans	-146.1	93.2	160.2	-77.4	-159.7	172.1	177.5	-1.7	112.5
902	R	24.8	Very low	29	Very low	246 Å²	246	131.9 Å²	131.9	93%	0.928	69%	0.686	S	S	*	*			trans	-95.4	112.3	146.4	-74.5	-177.8	176.1	-175.3	-0.8	108.3
903	Q	29.5	Very low	28.9	Very low	199 Å²	199	130.8 Å²	130.8	93%	0.93	68%	0.68	S	S	*	*			trans	-171	143.4	141.7	-109.6	166.3	4.4	0	0	110.4
904	T	25.3	Very low	28.6	Very low	123 Å²	123	130.5 Å²	130.5	76%	0.755	68%	0.678	S	S	*	*			trans	-105.9	142.4	-170.9	53.9	0	0	0	0	110.8
905	N	27.8	Very low	28.6	Very low	133 Å²	133	128 Å²	128	71%	0.711	67%	0.673	S	S	*	*				162.8	123.1	119.4	-83.1	5.1	0	0	0	111.7
906	C	27.1	Very low	28.7	Very low	97 Å²	97	125.5 Å²	125.5	66%	0.655	66%	0.661	S	S	*	*			trans	52.5	143.2	143.3	-49.4	0	0	0	0	121
907	T	28.2	Very low	28.7	Very low	60 Å²	60	124 Å²	124	37%	0.368	66%	0.66	S	S	.	*			trans	-144.4	140.2	-164.5	28.4	0	0	0	0	112.5	E40 D658	E40-T907 WeakPolarHBondContact OE2-CA 3.25Å; D658-T907 WeakPolarHBondContact OD2-CB 3.34Å; D658-T907 PolarHBondContact OD2-OG1 2.99Å
908	N	30.6	Very low	29	Very low	54 Å²	54	125.1 Å²	125.1	29%	0.289	66%	0.657	S	S	.	*			trans	49	130.6	152.7	-63.5	-73.6	0	0	0	121.3	E40	E40-N908 WeakPolarHBondContact CB-OD1 3.25Å; E40-N908 VanDerWaalsContact CD-N 3.29Å; E40-N908 WeakPolarHBondContact CG-OD1 3.38Å; E40-N908 PolarHBondContact OE1-ND2 3.2Å; E40-N908 PolarHBondContact OE1-OD1 3.41Å; E40-N908 PolarHBondContact OE2-N 3.3Å
909	I	27.3	Very low	29.1	Very low	54 Å²	54	125.1 Å²	125.1	28%	0.277	66%	0.657	S	S	.	*			trans	-108.5	131	173.8	-67.2	172	0	0	0	110.4
910	R	27.8	Very low	29.2	Very low	104 Å²	104	123.5 Å²	123.5	39%	0.392	66%	0.658	S	S	.	*			trans	-74.5	136.5	165.7	-97.2	-166.6	175.8	170.8	7.1	111.5	L653 E761	L653-R910 VanDerWaalsContact CD1-NH2 3.34Å; L653-R910 HydrophobicContact CD2-CG 4.42Å; L653-R910 VanDerWaalsContact CD2-NH1 3.25Å; E761-R910 IonicContact OE1-NH1 3.33Å
911	I	27.4	Very low	29.4	Very low	129 Å²	129	125.2 Å²	125.2	66%	0.662	68%	0.682	S	S	*	*			trans	-120.6	150.5	167.3	-19.6	168.1	0	0	0	104.9
912	P	34.6	Very low	29.5	Very low	105 Å²	105	119 Å²	119	68%	0.682	67%	0.669	S	S	*	*			cis	-139.4	-163.5	29	34.7	-7.6	0	0	0	113.1
913	N	31.6	Very low	29.7	Very low	92 Å²	92	112.3 Å²	112.3	49%	0.492	66%	0.655	S	S	.	*			cis	177.1	137.6	36.2	-160	-31.9	0	0	0	113.5	K730	K730-N913 HydrophobicContact CD-CB 4.38Å; K730-N913 VanDerWaalsContact CD-O 3.29Å; K730-N913 WeakPolarHBondContact CD-O 3.49Å; K730-N913 VanDerWaalsContact CE-O 3.29Å; K730-N913 WeakPolarHBondContact CE-O 3.38Å; K730-N913 PolarHBondContact NZ-O 3Å; K730-N913 PolarHBondContact NZ-OD1 3.12Å
914	L	25.8	Very low	29.7	Very low	113 Å²	113	107.4 Å²	107.4	59%	0.592	64%	0.64	S	S	*	*			trans	-68.2	146.6	177.6	-104.5	95	0	0	0	116.4	P28 K730	P28-L914 HydrophobicContact CB-CD2 4.1Å; P28-L914 HydrophobicContact CG-CD1 4.33Å; P28-L914 HydrophobicContact CG-CD2 3.77Å; P28-L914 HydrophobicContact CG-CG 4.46Å; K730-L914 WeakPolarHBondContact CE-O 3.11Å; K730-L914 PolarHBondContact NZ-O 3.41Å
915	V	31.1	Very low	30	Very low	95 Å²	95	106.5 Å²	106.5	58%	0.576	63%	0.633	S	S	*	*			trans	-127.5	135.1	157.2	128.3	0	0	0	0	110.4	K730	K730-V915 HydrophobicContact CD-CB 4.48Å; K730-V915 HydrophobicContact CD-CG2 4.42Å; K730-V915 HydrophobicContact CG-CB 4.18Å; K730-V915 HydrophobicContact CG-CG2 4.22Å
916	Q	32.1	Very low	30.1	Very low	112 Å²	112	104.9 Å²	104.9	52%	0.523	63%	0.628	S	S	.	*			trans	-91.3	140.3	173.4	-64.5	176.5	-62.1	0	0	110
917	T	31.6	Very low	30.3	Very low	132 Å²	132	105.4 Å²	105.4	81%	0.81	63%	0.626	S	S	*	*			trans	-87.2	109.3	171.9	37.9	0	0	0	0	110.9	G919	T917-G919 PolarHBondContact O-N 3.1Å
918	N	32.9	Very low	30.5	Very low	140 Å²	140	108.6 Å²	108.6	75%	0.749	65%	0.645	S	S	*	*			trans	-87.1	101.4	159.6	-82.6	-2.7	0	0	0	108.7
919	G	31.8	Very low	30.4	Very low	76 Å²	76	112.8 Å²	112.8	78%	0.784	67%	0.672	S	S	*	*			trans	-82	136.2	163.1	0	0	0	0	0	110	T917	T917-G919 PolarHBondContact O-N 3.1Å
920	S	29.8	Very low	30.7	Very low	124 Å²	124	117.8 Å²	117.8	87%	0.867	71%	0.705	S	S	*	*			trans	-132.7	63.7	-177.4	64.6	0	0	0	0	111.4
921	S	32	Very low	31	Very low	191 Å²	191	119 Å²	119	100%	1.336	73%	0.734	S	S	*	*			trans	-168.1	0	168.7	58.9	0	0	0	0	108.7

Retrieved 921 of 921 residues in 1273 ms (Link to these results)

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