A0A077YYD8_TRITR Loading...

Protein transport protein Sec24A

AlphaFold DB , UniProt , Accession A0A077YYD8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 902 aa.

						>A0A077YYD8_TRITR|A0A077YYD8
MYPPGFCPPKNQLVRTAPPVPGGIGFRPPNGPVYNPPMGPGTIPQAGTAQPLPPSGLMNGYPEIGVPGLPAVKSFSTSVPQMPTPNPGMVFSPFPPTQNFLSANTAQLPPVEPPCGPSVASLPRVQIPPPTSYPPPPIGISAAGYKSSKRGIFKTLSYRLVLKRGTVDLLKERHILPSTPVEPPTVVLPPPYDSSEISIQPDVLRCTLTTVPSSAMALKKARLPLGLIVHPYKDLKKLTILSTSVIVRCRTCRVYINPYVYFPDQQHWRCNLCGRVNTLPEDFYYDPATQTFGDPTRRPEIRNASIEFVAPAEYMARNPPPACYVFVFDVSIAAIETGYLKVFCEKLCEHLSALPGDEDTLICFMAVDSALHFFSLKSGCRPKHLVMPEVDDYILPCQTDVLAPLHKMEKEVREFLKTLPELFDNGNSPHLAFGSAISAAHQLIASTGGRVTAFLANLPDIGQGCLQNREDPNMRAAKEVKHMTAVCDFYKLLALDCTANQVAVDLFILSDRFVDVATVADISKYTGGYIAHYPSFNICNNPTELVRFTEDMNRYLLRKIGFEAVLRVRCSAGFAVHTFFGNHFVRSTDVVVLANVNPDSAMGVLLEIEDSIDCRVACFQAALLYTTSHGERRIRVHTICLPTSESIAEIHNGADVQTVIALLARMAADRCMNGGSLQAAREAMVNAVLDSIYAYNMCLNSKQFGRVLCSWSLRLFPLYVLALLKHKAFAHGTSVKLDHRIFEMCNLRTMPLFYLMLDIYPNLYPIHSFSNEDEIPPLLSLSFEKVDRHGIYLMDTGRYLFLYVGQAVSDTLCQNIFNVTSYKEIVAGLVKLPELENVQNVAVRKFIDQLRSARPLASPLRIIKEDSPSRELFTTRLVEDRTDSTLSYTEFLNHIQKELQPK
					

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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	32.9	Very low	36.1	Very low	165 Å²	165	68.2 Å²	68.2	81%	0.813	39%	0.393	S	S	*	.				0	109.8	0	-87.9	176.3	169.7	0	0	108.6
2	Y	35.5	Very low	35.4	Very low	50 Å²	50	77.3 Å²	77.3	20%	0.196	43%	0.43	C	S	.	.			trans	-67.2	170.4	172.2	-61.7	-71.8	0	0	0	110.9	F6 P224 L605	Y2-F6 HydrophobicContact CG-CB 4.19Å; Y2-P224 HydrophobicContact CE1-CB 4.01Å; Y2-L605 HydrophobicContact CE2-CD1 4.43Å; Y2-L605 HydrophobicContact CE2-CD2 4.47Å
3	P	34.7	Very low	35.1	Very low	20 Å²	20	79.7 Å²	79.7	13%	0.13	44%	0.44	C	S	.	.	S	Bend	trans	-50.1	145.5	165	21.3	-33.6	0	0	0	109.7	G5 F6 N686 D690	P3-G5 PolarHBondContact O-N 3.45Å; P3-F6 HydrophobicContact CG-CB 4.4Å; P3-F6 HydrophobicContact CG-CD2 4.19Å; P3-F6 PolarHBondContact O-N 3.1Å; P3-N686 HydrophobicContact CG-CB 4.35Å; P3-D690 WeakPolarHBondContact CD-OD2 3.16Å
4	P	32.1	Very low	34.7	Very low	150 Å²	150	81.3 Å²	81.3	97%	0.974	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	6.5	-165.7	20.6	-31.9	0	0	0	116.7
5	G	38.9	Very low	34.4	Very low	24 Å²	24	88.4 Å²	88.4	25%	0.247	47%	0.47	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	5.1	168	0	0	0	0	0	116.2	P3 R670	P3-G5 PolarHBondContact O-N 3.45Å; G5-R670 PolarHBondContact O-NE 3.26Å; G5-R670 PolarHBondContact O-NH1 2.93Å; G5-R670 PolarHBondContact O-NH2 3.2Å
6	F	41.3	Very low	34	Very low	6 Å²	6	91.7 Å²	91.7	3%	0.026	50%	0.495	C	S	.	.			trans	-115.3	-2.5	-171.8	-117.7	-40	0	0	0	117.5	Y2 P3 P8 L663 M666 A683 M684 A687	Y2-F6 HydrophobicContact CG-CB 4.19Å; P3-F6 HydrophobicContact CG-CB 4.4Å; P3-F6 HydrophobicContact CG-CD2 4.19Å; P3-F6 PolarHBondContact O-N 3.1Å; F6-P8 WeakPolarHBondContact O-CD 3.39Å; F6-L663 HydrophobicContact CE1-CD2 4.22Å; F6-L663 HydrophobicContact CE2-CD2 3.81Å; F6-L663 HydrophobicContact CZ-CD2 3.57Å; F6-M666 HydrophobicContact CD1-CB 4.32Å; F6-M666 HydrophobicContact CD1-CE 3.78Å; F6-M666 HydrophobicContact CE1-CB 3.88Å; F6-M666 HydrophobicContact CE1-CE 4.25Å; F6-M666 HydrophobicContact CG-CE 4.42Å; F6-M666 WeakPolarHBondContact O-CE 3.23Å; F6-A683 HydrophobicContact CD1-CB 4.32Å; F6-A683 HydrophobicContact CD2-CB 3.63Å; F6-A683 HydrophobicContact CE1-CB 4.28Å; F6-A683 HydrophobicContact CE2-CB 3.59Å; F6-A683 WeakPolarHBondContact CE2-O 3.3Å; F6-A683 HydrophobicContact CG-CB 3.99Å; F6-A683 HydrophobicContact CZ-CB 3.91Å; F6-M684 HydrophobicContact CZ-CG 4.22Å; F6-A687 HydrophobicContact CE2-CB 4.06Å
7	C	33.8	Very low	33.6	Very low	68 Å²	68	89 Å²	89	46%	0.459	49%	0.488	S	S	.	.			trans	-77.2	115.8	165.5	-88.9	0	0	0	0	109.1
8	P	33.7	Very low	33.2	Very low	17 Å²	17	88.4 Å²	88.4	11%	0.11	49%	0.489	C	S	.	.	P	Polyproline II helix	trans	-62	150.5	155.4	30.2	-33.7	0	0	0	108.2	F6 K10 T578 F580 L605	F6-P8 WeakPolarHBondContact O-CD 3.39Å; P8-K10 PolarHBondContact O-N 2.99Å; P8-T578 HydrophobicContact CG-CG2 4.5Å; P8-F580 HydrophobicContact CG-CZ 4.42Å; P8-L605 HydrophobicContact CG-CD2 4.48Å
9	P	35.5	Very low	32.8	Very low	102 Å²	102	90.2 Å²	90.2	66%	0.662	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-56.4	128	169.7	25.1	-32.7	0	0	0	108.8	N11	P9-N11 PolarHBondContact O-N 3.42Å
10	K	37.1	Very low	32.8	Very low	86 Å²	86	88.5 Å²	88.5	37%	0.374	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-52.2	129	172.4	-171.2	160.2	-178.1	158.6	0	107.2	P8 Q12 E607	P8-K10 PolarHBondContact O-N 2.99Å; K10-Q12 WeakPolarHBondContact O-CG 3.22Å; K10-Q12 PolarHBondContact O-N 3.49Å; K10-E607 IonicContact NZ-OE1 2.67Å; K10-E607 PolarHBondContact NZ-OE1 3.21Å; K10-E607 IonicContact NZ-OE2 3.78Å
11	N	41.6	Very low	32.5	Very low	62 Å²	62	90.2 Å²	90.2	33%	0.332	51%	0.512	S	S	.	.			trans	-49.9	93.3	-165	-81.6	-29.1	0	0	0	113	P9 L13	P9-N11 PolarHBondContact O-N 3.42Å; N11-L13 VanDerWaalsContact C-N 3.29Å; N11-L13 PolarHBondContact O-N 3.25Å
12	Q	28.3	Very low	32.4	Very low	178 Å²	178	84.3 Å²	84.3	83%	0.832	49%	0.493	S	S	*	.			trans	-83.6	-3.8	-175.1	-88	176.9	10.6	0	0	113.2	K10 V14	K10-Q12 WeakPolarHBondContact O-CG 3.22Å; K10-Q12 PolarHBondContact O-N 3.49Å; Q12-V14 PolarHBondContact O-N 3.14Å
13	L	31.4	Very low	32	Very low	108 Å²	108	85.6 Å²	85.6	57%	0.565	52%	0.522	S	S	*	.			trans	-81.5	49.7	170.3	-71.4	171.8	0	0	0	112.2	N11 R15	N11-L13 VanDerWaalsContact C-N 3.29Å; N11-L13 PolarHBondContact O-N 3.25Å; L13-R15 PolarHBondContact O-N 3.24Å; L13-R15 VanDerWaalsContact O-N 3.11Å
14	V	29.3	Very low	31.8	Very low	102 Å²	102	88.9 Å²	88.9	62%	0.618	54%	0.537	S	S	*	.			trans	-82.6	69.6	158.7	-172	0	0	0	0	107.7	Q12	Q12-V14 PolarHBondContact O-N 3.14Å
15	R	29.5	Very low	31.5	Very low	188 Å²	188	84.8 Å²	84.8	71%	0.709	52%	0.522	S	S	*	.			trans	-73.9	139.9	158.6	-81.1	-169.6	173.2	-168	-0.8	107.5	L13 A17	L13-R15 PolarHBondContact O-N 3.24Å; L13-R15 VanDerWaalsContact O-N 3.11Å; R15-A17 PolarHBondContact O-N 3.22Å
16	T	27.7	Very low	31.2	Very low	141 Å²	141	89.3 Å²	89.3	87%	0.865	54%	0.535	S	S	*	.			trans	-56	107.6	166.3	45.2	0	0	0	0	107.8
17	A	28.3	Very low	30.5	Very low	46 Å²	46	100 Å²	100	38%	0.38	58%	0.576	S	S	.	*			trans	-53.3	143.5	171.2	0	0	0	0	0	108.6	R15 F584	R15-A17 PolarHBondContact O-N 3.22Å; A17-F584 HydrophobicContact CB-CE1 4.5Å
18	P	25.9	Very low	30.3	Very low	78 Å²	78	99.5 Å²	99.5	51%	0.506	57%	0.571	S	S	.	*			trans	-52.3	139.9	169.2	24.9	-33.5	0	0	0	108	V20 A499	P18-V20 PolarHBondContact O-N 3.3Å; P18-A499 HydrophobicContact CG-CB 4.02Å
19	P	26.1	Very low	30	Very low	122 Å²	122	103.9 Å²	103.9	79%	0.792	60%	0.6	S	S	*	*			trans	-60.3	115.6	-177.3	25.2	-33	0	0	0	108.3	P21	P19-P21 WeakPolarHBondContact O-CD 3.47Å
20	V	31.9	Very low	29.8	Very low	56 Å²	56	106 Å²	106	34%	0.339	61%	0.606	S	S	.	*			trans	-51.1	127.4	164.4	-178.1	0	0	0	0	106.4	P18 G22	P18-V20 PolarHBondContact O-N 3.3Å; V20-G22 CarbonylContact O-C 3.54Å; V20-G22 PolarHBondContact O-N 3.2Å
21	P	27.1	Very low	29.5	Very low	125 Å²	125	104.6 Å²	104.6	81%	0.812	62%	0.615	S	S	*	*	S	Bend	trans	-56.8	107.5	173.3	-24.3	34.4	0	0	0	108.8	P19	P19-P21 WeakPolarHBondContact O-CD 3.47Å
22	G	31.1	Very low	29.1	Very low	41 Å²	41	107.9 Å²	107.9	42%	0.423	64%	0.64	S	S	.	*	S	Bend	trans	103	88.4	-165.3	0	0	0	0	0	112.6	V20 I24	V20-G22 CarbonylContact O-C 3.54Å; V20-G22 PolarHBondContact O-N 3.2Å; G22-I24 PolarHBondContact O-N 3.27Å
23	G	26.4	Very low	29.4	Very low	77 Å²	77	105.8 Å²	105.8	79%	0.794	64%	0.639	S	S	*	*			trans	-67	115.2	177.3	0	0	0	0	0	112.4	G25	G23-G25 PolarHBondContact O-N 3.34Å
24	I	31.5	Very low	29.4	Very low	89 Å²	89	110.9 Å²	110.9	46%	0.456	65%	0.652	S	S	.	*			trans	-71.9	67.5	165.6	-46.7	176.9	0	0	0	109.4	G22 F26	G22-I24 PolarHBondContact O-N 3.27Å; I24-F26 HydrophobicContact CG2-CD2 3.93Å; I24-F26 HydrophobicContact CG2-CE2 3.75Å; I24-F26 HydrophobicContact CG2-CZ 4.47Å; I24-F26 PolarHBondContact O-N 3.11Å
25	G	26.2	Very low	29.8	Very low	64 Å²	64	113 Å²	113	66%	0.66	66%	0.66	S	S	*	*			trans	-72	106.5	162.9	0	0	0	0	0	108.3	G23 R27	G23-G25 PolarHBondContact O-N 3.34Å; G25-R27 PolarHBondContact O-N 3.09Å
26	F	31.8	Very low	30.3	Very low	119 Å²	119	109.6 Å²	109.6	52%	0.522	66%	0.662	S	S	.	*			trans	-67.7	62.9	171.8	-86.7	-90.9	0	0	0	111.6	I24	I24-F26 HydrophobicContact CG2-CD2 3.93Å; I24-F26 HydrophobicContact CG2-CE2 3.75Å; I24-F26 HydrophobicContact CG2-CZ 4.47Å; I24-F26 PolarHBondContact O-N 3.11Å
27	R	26	Very low	30.8	Very low	232 Å²	232	108.6 Å²	108.6	88%	0.875	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-75.9	132.1	160.2	-82.7	-170.8	170.3	-162.9	-1.8	108.3	G25	G25-R27 PolarHBondContact O-N 3.09Å
28	P	29	Very low	31.4	Very low	57 Å²	57	116 Å²	116	37%	0.37	69%	0.687	S	S	.	*	P	Polyproline II helix	trans	-64.1	152.4	167.2	27.1	-30	0	0	0	109.9	N30	P28-N30 PolarHBondContact O-N 3.23Å; P28-N30 VanDerWaalsContact O-N 3.16Å
29	P	28.5	Very low	32.1	Very low	109 Å²	109	115.5 Å²	115.5	71%	0.708	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-61.4	116.6	153.1	28.1	-31.1	0	0	0	107.2	G31	P29-G31 PolarHBondContact O-N 2.89Å
30	N	31.8	Very low	32.7	Very low	147 Å²	147	116.5 Å²	116.5	79%	0.786	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-69.4	124.3	167.1	-81.5	-13.3	0	0	0	107.4	P28	P28-N30 PolarHBondContact O-N 3.23Å; P28-N30 VanDerWaalsContact O-N 3.16Å
31	G	31.2	Very low	33	Very low	55 Å²	55	117 Å²	117	57%	0.567	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-61.9	160.7	169.8	0	0	0	0	0	111.4	P29 V33	P29-G31 PolarHBondContact O-N 2.89Å; G31-V33 PolarHBondContact O-N 2.67Å
32	P	31.3	Very low	33.7	Very low	131 Å²	131	118 Å²	118	85%	0.851	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-66	128.1	-171.2	27.5	-34.6	0	0	0	111.1	Y34	P32-Y34 PolarHBondContact O-N 3.14Å
33	V	34.9	Very low	34	Very low	134 Å²	134	123.8 Å²	123.8	81%	0.812	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-82	116.4	166.3	178.5	0	0	0	0	107.7	G31 N35	G31-V33 PolarHBondContact O-N 2.67Å; V33-N35 PolarHBondContact O-N 2.72Å
34	Y	31.7	Very low	34.8	Very low	215 Å²	215	125.1 Å²	125.1	84%	0.843	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-52.8	130.7	170.5	-109.2	-107.1	0	0	0	111.2	P32	P32-Y34 PolarHBondContact O-N 3.14Å
35	N	37.3	Very low	35.2	Very low	148 Å²	148	129.9 Å²	129.9	79%	0.791	76%	0.758	S	S	*	*			trans	-127	134.1	156	-93.2	-18.2	0	0	0	108.3	V33	V33-N35 PolarHBondContact O-N 2.72Å
36	P	40.1	Very low	35.7	Very low	115 Å²	115	131.5 Å²	131.5	75%	0.747	77%	0.765	S	S	*	*			trans	-80.3	165.6	-174.9	33.2	-35.7	0	0	0	113.2
37	P	39.4	Very low	36.1	Very low	120 Å²	120	129.7 Å²	129.7	78%	0.779	78%	0.78	S	S	*	*			trans	-107.6	140.7	-157.7	37.9	-32.1	0	0	0	115.9
38	M	40.9	Very low	36.5	Very low	201 Å²	201	125.5 Å²	125.5	99%	0.99	78%	0.781	S	S	*	*			trans	-165	148.4	146.4	-66.6	-158.6	-158.5	0	0	106.6
39	G	40.6	Very low	37.1	Very low	69 Å²	69	127.5 Å²	127.5	71%	0.711	80%	0.802	S	S	*	*			cis	-163	175	-3.6	0	0	0	0	0	108.9
40	P	38.9	Very low	37.7	Very low	142 Å²	142	131.7 Å²	131.7	92%	0.922	81%	0.812	S	S	*	*			trans	-91.1	151.6	-156.6	34.6	-36.3	0	0	0	115.9
41	G	37.9	Very low	37.9	Very low	66 Å²	66	130.2 Å²	130.2	68%	0.68	81%	0.81	S	S	*	*			trans	-173.1	75.2	176.8	0	0	0	0	0	116.5
42	T	40.9	Very low	38.5	Very low	147 Å²	147	135.8 Å²	135.8	90%	0.902	83%	0.826	S	S	*	*			trans	63.9	145.5	142.5	50.1	0	0	0	0	123.3
43	I	38.4	Very low	38.8	Very low	163 Å²	163	135.1 Å²	135.1	84%	0.836	82%	0.822	S	S	*	*			trans	-129.4	-175.7	-174	-2.1	173.4	0	0	0	107.8
44	P	42.9	Very low	39.3	Very low	104 Å²	104	134.5 Å²	134.5	68%	0.675	82%	0.82	S	S	*	*			cis	-132.2	-162.7	-29.9	30.6	-8	0	0	0	112.8
45	Q	40.9	Very low	39.7	Very low	189 Å²	189	130.5 Å²	130.5	88%	0.883	82%	0.824	S	S	*	*			trans	85.7	147.9	164.5	-60.7	-173.6	-19	0	0	116.9
46	A	36.1	Very low	39.6	Very low	98 Å²	98	126.8 Å²	126.8	81%	0.81	82%	0.821	S	S	*	*			cis	178.2	136.2	-21.7	0	0	0	0	0	104.1
47	G	39.5	Very low	39.5	Very low	82 Å²	82	129.2 Å²	129.2	85%	0.845	83%	0.826	S	S	*	*			trans	-168.1	120.9	-177.2	0	0	0	0	0	113.4
48	T	34.7	Very low	39.4	Very low	144 Å²	144	130.8 Å²	130.8	88%	0.883	83%	0.825	S	S	*	*			trans	-109.6	131.7	-173.5	48.1	0	0	0	0	112.6
49	A	41.5	Very low	39.1	Very low	98 Å²	98	128.4 Å²	128.4	81%	0.81	82%	0.817	S	S	*	*			trans	-169.6	111.2	154.5	0	0	0	0	0	107.8
50	Q	40.7	Very low	39.1	Very low	197 Å²	197	128.7 Å²	128.7	92%	0.921	82%	0.82	S	S	*	*				74.2	139.2	79.9	-86.2	-157.3	-26.6	0	0	116.3
51	P	37.2	Very low	39	Very low	116 Å²	116	133 Å²	133	75%	0.753	82%	0.819	S	S	*	*			trans	-98.5	168.3	-167.4	40.1	-36.8	0	0	0	114.3
52	L	42.4	Very low	39.2	Very low	173 Å²	173	134.7 Å²	134.7	91%	0.906	82%	0.818	S	S	*	*			trans	-132.4	147	174.8	-80.9	167.7	0	0	0	113.9
53	P	38.3	Very low	39	Very low	116 Å²	116	135.7 Å²	135.7	75%	0.753	81%	0.813	S	S	*	*			trans	-104.8	-177.9	-171.2	43.4	-37.9	0	0	0	114.4
54	P	45.7	Very low	39.1	Very low	121 Å²	121	135 Å²	135	79%	0.786	81%	0.809	S	S	*	*			trans	-103.8	158	-161.1	38.4	-35	0	0	0	118.4
55	S	39	Very low	39	Very low	131 Å²	131	133.3 Å²	133.3	92%	0.916	81%	0.81	S	S	*	*			trans	-174.9	163.5	160.4	-78.6	0	0	0	0	109.6
56	G	35.3	Very low	38.6	Very low	70 Å²	70	131.1 Å²	131.1	72%	0.722	81%	0.809	S	S	*	*			cis	167.4	177.5	-6.1	0	0	0	0	0	113.1
57	L	37.9	Very low	39	Very low	166 Å²	166	132.5 Å²	132.5	87%	0.869	81%	0.81	S	S	*	*			trans	80.3	119.2	159.6	-64.8	167	0	0	0	124
58	M	37.5	Very low	39.1	Very low	154 Å²	154	132.5 Å²	132.5	76%	0.759	81%	0.81	S	S	*	*				85.6	110.4	126.8	-84.4	-171.9	135.7	0	0	126.6
59	N	36	Very low	38.9	Very low	151 Å²	151	133.8 Å²	133.8	81%	0.807	81%	0.811	S	S	*	*				58.2	129.5	120.8	-72.6	16.2	0	0	0	125.3
60	G	38.9	Very low	39.1	Very low	75 Å²	75	134.7 Å²	134.7	77%	0.773	81%	0.808	S	S	*	*			trans	-179.5	117.6	153.1	0	0	0	0	0	114
61	Y	37	Very low	39	Very low	232 Å²	232	130.4 Å²	130.4	91%	0.91	81%	0.806	S	S	*	*			trans	-133.3	173.1	174.8	-93.7	-68.4	0	0	0	107.4
62	P	42.5	Very low	38.7	Very low	102 Å²	102	131.2 Å²	131.2	66%	0.662	81%	0.809	S	S	*	*			cis	-158.5	-174	38.2	47.3	-24.7	0	0	0	120.3
63	E	36.8	Very low	38.4	Very low	168 Å²	168	132.2 Å²	132.2	79%	0.785	81%	0.806	S	S	*	*			trans	62.7	153.7	149.5	-75.5	-175.6	154	0	0	122.1
64	I	40.2	Very low	38	Very low	148 Å²	148	131 Å²	131	76%	0.759	80%	0.801	S	S	*	*			cis	-155.4	152.4	0.6	-111.3	153.8	0	0	0	110.5
65	G	40.7	Very low	37.3	Very low	68 Å²	68	135.1 Å²	135.1	70%	0.701	81%	0.806	S	S	*	*			trans	131.5	128	140.3	0	0	0	0	0	120.4
66	V	33.5	Very low	36.9	Very low	143 Å²	143	134.8 Å²	134.8	87%	0.867	80%	0.804	S	S	*	*			trans	-150.2	-173.1	179.4	-129.4	0	0	0	0	109.3
67	P	42.8	Very low	36.6	Very low	128 Å²	128	138 Å²	138	83%	0.831	81%	0.809	S	S	*	*			cis	-130.3	-178.8	-35.1	30.7	-9.9	0	0	0	114.2
68	G	42.3	Very low	36.3	Very low	81 Å²	81	135.5 Å²	135.5	84%	0.835	81%	0.806	S	S	*	*			trans	178.2	127.5	163.6	0	0	0	0	0	117.8
69	L	31.3	Very low	36.1	Very low	172 Å²	172	134.8 Å²	134.8	90%	0.901	81%	0.81	S	S	*	*			trans	-125.4	-171.4	178.5	-81.7	156.5	0	0	0	109.6
70	P	45.2	Very low	35.9	Very low	117 Å²	117	133.2 Å²	133.2	76%	0.76	81%	0.808	S	S	*	*				-129.4	171.7	-67.5	39.6	-24.4	0	0	0	113
71	A	37.5	Very low	35.3	Very low	106 Å²	106	137.7 Å²	137.7	88%	0.876	81%	0.809	S	S	*	*			trans	-162.4	150.7	159.5	0	0	0	0	0	114.8
72	V	32.6	Very low	35.2	Very low	133 Å²	133	134.8 Å²	134.8	81%	0.806	81%	0.806	S	S	*	*			trans	-112.2	145.4	-174.3	168.3	0	0	0	0	111.1
73	K	35.8	Very low	34.7	Very low	194 Å²	194	135.5 Å²	135.5	84%	0.843	81%	0.81	S	S	*	*			trans	-179.2	109	138.1	-100.6	163	-168.8	-177	0	116.8
74	S	30.5	Very low	34.6	Very low	92 Å²	92	133.7 Å²	133.7	64%	0.643	81%	0.811	S	S	*	*				43.2	121.3	129.1	61.5	0	0	0	0	124
75	F	30	Very low	34.5	Very low	207 Å²	207	132.8 Å²	132.8	91%	0.908	82%	0.815	S	S	*	*			trans	49.6	119	133.7	-76.1	-89.8	0	0	0	122
76	S	31.4	Very low	34.3	Very low	123 Å²	123	136.5 Å²	136.5	86%	0.86	82%	0.819	S	S	*	*				-172.8	154.5	108.4	50.8	0	0	0	0	113.1
77	T	28.2	Very low	34.5	Very low	137 Å²	137	135.6 Å²	135.6	84%	0.84	82%	0.816	S	S	*	*			trans	-76.2	135.6	-175.7	43.4	0	0	0	0	115
78	S	32.1	Very low	34	Very low	115 Å²	115	132.4 Å²	132.4	80%	0.804	81%	0.806	S	S	*	*			trans	-168.9	143.3	136.5	50.8	0	0	0	0	112.5
79	V	32.3	Very low	33.6	Very low	139 Å²	139	138.1 Å²	138.1	84%	0.842	81%	0.813	S	S	*	*			trans	-90.9	137.1	175	176	0	0	0	0	109.6
80	P	32	Very low	33.5	Very low	118 Å²	118	135.4 Å²	135.4	77%	0.766	80%	0.804	S	S	*	*			trans	-137.3	169.2	134.3	17.3	5.1	0	0	0	114.6
81	Q	27.8	Very low	32.7	Very low	169 Å²	169	140.3 Å²	140.3	79%	0.79	81%	0.813	S	S	*	*			trans	-87.1	147.9	-167.1	-64.8	163.7	-76.7	0	0	115.9
82	M	33.7	Very low	32.4	Very low	170 Å²	170	139.9 Å²	139.9	84%	0.837	80%	0.804	S	S	*	*			trans	63	168.1	149.4	-71.7	-158.6	-60.9	0	0	118.6
83	P	31.9	Very low	32.2	Very low	117 Å²	117	139.4 Å²	139.4	76%	0.76	80%	0.804	S	S	*	*			cis	-124.4	177.3	-2.7	33.7	-14.2	0	0	0	115.5
84	T	35.1	Very low	31.9	Very low	130 Å²	130	140 Å²	140	80%	0.798	81%	0.807	S	S	*	*			trans	-76.3	163.1	175.5	53.6	0	0	0	0	114.6
85	P	37.9	Very low	31.8	Very low	130 Å²	130	140.4 Å²	140.4	84%	0.844	81%	0.807	S	S	*	*			trans	-127.5	143.3	130.6	35.3	-25.7	0	0	0	114
86	N	37.2	Very low	31.8	Very low	146 Å²	146	136.6 Å²	136.6	78%	0.781	80%	0.803	S	S	*	*			trans	-101.6	166.3	170.6	-152	0.7	0	0	0	107.9
87	P	38	Very low	31.9	Very low	124 Å²	124	137.7 Å²	137.7	81%	0.805	81%	0.805	S	S	*	*				-155.8	156.1	76.4	38.7	-18.2	0	0	0	118.3
88	G	31.4	Very low	32.1	Very low	61 Å²	61	140 Å²	140	63%	0.629	81%	0.806	S	S	*	*				119.3	94.2	126.5	0	0	0	0	0	119.7
89	M	33.8	Very low	31.9	Very low	200 Å²	200	141.6 Å²	141.6	99%	0.985	81%	0.806	S	S	*	*				-176.9	149.5	117.5	-91.5	-93.8	174.1	0	0	109.5
90	V	28.3	Very low	31.8	Very low	115 Å²	115	144.8 Å²	144.8	70%	0.697	81%	0.809	S	S	*	*			trans	-119.5	136.5	-155	178.6	0	0	0	0	112.1
91	F	30	Very low	31.5	Very low	220 Å²	220	146.2 Å²	146.2	97%	0.965	81%	0.809	S	S	*	*			trans	-145	135.7	147.3	-98.1	-75.7	0	0	0	111.1
92	S	29.9	Very low	31.6	Very low	97 Å²	97	143.6 Å²	143.6	68%	0.678	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-84.1	151.8	-163.6	-49.2	0	0	0	0	114.6
93	P	28.8	Very low	31.5	Very low	124 Å²	124	139.7 Å²	139.7	81%	0.805	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-83.5	141.9	172.9	33.9	-33.2	0	0	0	112
94	F	29	Very low	31.5	Very low	206 Å²	206	141 Å²	141	90%	0.904	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-86.9	146.4	165.1	-92.6	-92	0	0	0	110.9
95	P	29.8	Very low	31.2	Very low	101 Å²	101	141 Å²	141	66%	0.656	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-84.6	160.8	-166.7	34.4	-36.5	0	0	0	113.8
96	P	28.9	Very low	31	Very low	126 Å²	126	139.3 Å²	139.3	82%	0.818	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-74.3	133.4	175.8	31.7	-34.1	0	0	0	111
97	T	34.1	Very low	30.8	Very low	146 Å²	146	141.5 Å²	141.5	90%	0.896	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-102.6	139.7	170.7	18	0	0	0	0	111.2
98	Q	31.7	Very low	30.7	Very low	185 Å²	185	143.2 Å²	143.2	86%	0.864	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-86.8	165.9	-162.5	-65.7	167.8	-41.5	0	0	113.4
99	N	27.4	Very low	30.9	Very low	149 Å²	149	146.1 Å²	146.1	80%	0.797	82%	0.816	S	S	*	*			trans	-43.6	151.5	161.6	-58.3	-38.8	0	0	0	112.4
100	F	30.4	Very low	31.3	Very low	207 Å²	207	142 Å²	142	91%	0.908	81%	0.805	S	S	*	*				-160.7	142	123.5	-108	-70.8	0	0	0	112.3
101	L	26	Very low	31.8	Very low	148 Å²	148	143.8 Å²	143.8	78%	0.775	82%	0.816	S	S	*	*			trans	-102.7	163.3	169.3	-84.7	159.6	0	0	0	109.8
102	S	30.8	Very low	32	Very low	114 Å²	114	142.1 Å²	142.1	80%	0.797	81%	0.811	S	S	*	*			trans	97.7	106.5	153.2	-51.6	0	0	0	0	120.3
103	A	30.3	Very low	33.3	Very low	87 Å²	87	142.8 Å²	142.8	72%	0.719	81%	0.813	S	S	*	*				80.6	131.5	119.5	0	0	0	0	0	123.6
104	N	32.2	Very low	34	Very low	146 Å²	146	142.4 Å²	142.4	78%	0.781	81%	0.81	S	S	*	*			trans	86.2	100.2	142.8	-65.9	-3	0	0	0	122.9
105	T	29.6	Very low	34.3	Very low	130 Å²	130	139.1 Å²	139.1	80%	0.798	81%	0.811	S	S	*	*				33.7	118	125.9	51.1	0	0	0	0	121.4
106	A	34	Very low	34.6	Very low	94 Å²	94	137.7 Å²	137.7	78%	0.777	82%	0.815	S	S	*	*				-178.8	124.1	115.2	0	0	0	0	0	114.9
107	Q	31.9	Very low	35.4	Very low	191 Å²	191	137.6 Å²	137.6	89%	0.893	81%	0.814	S	S	*	*			trans	23.9	130	144.9	-69.8	163.7	-42.5	0	0	124.8
108	L	35.7	Very low	35.5	Very low	160 Å²	160	136 Å²	136	84%	0.838	81%	0.809	S	S	*	*			trans	-15.4	159.9	145.5	-68.2	166	0	0	0	119
109	P	36.5	Very low	35.7	Very low	122 Å²	122	133.6 Å²	133.6	79%	0.792	81%	0.806	S	S	*	*			cis	-148.8	-174.2	46.8	37.7	-12.8	0	0	0	118.4
110	P	42.7	Very low	36.3	Very low	114 Å²	114	131.3 Å²	131.3	74%	0.74	81%	0.808	S	S	*	*			trans	-116.2	168.6	-163.9	42.4	-33.3	0	0	0	117.5
111	V	38.3	Very low	36.5	Very low	153 Å²	153	126.9 Å²	126.9	93%	0.927	80%	0.803	S	S	*	*			trans	-147.6	160.2	167.8	-174.9	0	0	0	0	112.5
112	E	34.4	Very low	37.1	Very low	184 Å²	184	128 Å²	128	86%	0.86	81%	0.809	S	S	*	*			trans	-101.5	178.8	-161.1	-94.7	-175.8	149	0	0	118.4
113	P	57	Low	37.3	Very low	112 Å²	112	128.2 Å²	128.2	73%	0.727	81%	0.808	S	S	*	*			trans	-103.5	-167.1	-169.3	42.6	-37.3	0	0	0	115.4
114	P	44.1	Very low	37.3	Very low	116 Å²	116	135.1 Å²	135.1	75%	0.753	82%	0.815	S	S	*	*				-157.3	162.2	118.2	38.2	-19.2	0	0	0	120
115	C	35.2	Very low	37.4	Very low	137 Å²	137	134.3 Å²	134.3	93%	0.926	82%	0.815	S	S	*	*			trans	47.8	149.5	151.1	-64.5	0	0	0	0	122.8
116	G	36.2	Very low	37.6	Very low	70 Å²	70	136.6 Å²	136.6	72%	0.722	82%	0.817	S	S	*	*			cis	141.6	172.8	3.9	0	0	0	0	0	110.6
117	P	45.4	Very low	37.8	Very low	124 Å²	124	139.4 Å²	139.4	81%	0.805	82%	0.817	S	S	*	*			cis	-140.7	-176	-33	41.9	-23.9	0	0	0	116.2
118	S	35.6	Very low	38	Very low	113 Å²	113	135.3 Å²	135.3	79%	0.79	81%	0.807	S	S	*	*			trans	79.9	147	152.2	121.8	0	0	0	0	119.9
119	V	36.8	Very low	38.2	Very low	134 Å²	134	133 Å²	133	81%	0.812	80%	0.802	S	S	*	*			cis	-158.8	142.5	-9.9	157.8	0	0	0	0	108.6
120	A	38.7	Very low	38.5	Very low	101 Å²	101	133.1 Å²	133.1	84%	0.835	80%	0.803	S	S	*	*			trans	174.9	153	138.1	0	0	0	0	0	112.3
121	S	34.3	Very low	38.1	Very low	114 Å²	114	133.9 Å²	133.9	80%	0.797	81%	0.805	S	S	*	*			trans	-127.8	164.6	-166.1	60.2	0	0	0	0	113.9
122	L	38.8	Very low	38.1	Very low	173 Å²	173	131.9 Å²	131.9	91%	0.906	80%	0.798	S	S	*	*			trans	-175.8	164.1	145.5	-94.3	165.1	0	0	0	108.9
123	P	34.9	Very low	38.3	Very low	118 Å²	118	133.3 Å²	133.3	77%	0.766	80%	0.797	S	S	*	*			trans	-109.2	162.1	-134.1	39.7	-34.9	0	0	0	116.6
124	R	31.3	Very low	37.5	Very low	231 Å²	231	133.5 Å²	133.5	87%	0.872	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-98.2	122.2	-178.9	-174.7	-179.4	-171.2	173.7	3.6	111.3
125	V	34.8	Very low	37.7	Very low	129 Å²	129	133.5 Å²	133.5	78%	0.782	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-83.8	127.2	168.9	177.8	0	0	0	0	109.6	I127	V125-I127 HydrophobicContact CG1-CG1 4.46Å
126	Q	32.5	Very low	37.9	Very low	179 Å²	179	132.1 Å²	132.1	84%	0.836	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-92.5	138.3	168.5	-71.6	173.2	-60.3	0	0	109.7
127	I	37.9	Very low	37.8	Very low	152 Å²	152	135 Å²	135	78%	0.779	79%	0.794	S	S	*	*			trans	-119	123.6	168.2	-60.3	177.1	0	0	0	107.2	V125	V125-I127 HydrophobicContact CG1-CG1 4.46Å
128	P	37	Very low	37.5	Very low	105 Å²	105	136.5 Å²	136.5	68%	0.682	79%	0.793	S	S	*	*			trans	-79.2	159.7	-179.7	32.8	-35	0	0	0	112.2
129	P	39.7	Very low	37.2	Very low	112 Å²	112	134.5 Å²	134.5	73%	0.727	79%	0.79	S	S	*	*			trans	-76.2	141.8	-178.9	31.6	-34.7	0	0	0	111.9	T131	P129-T131 PolarHBondContact O-N 2.87Å
130	P	43.3	Very low	37.3	Very low	125 Å²	125	135.6 Å²	135.6	81%	0.812	79%	0.79	S	S	*	*			trans	-78.1	106.6	176.9	30.3	-32.8	0	0	0	111.3
131	T	33.4	Very low	36.9	Very low	130 Å²	130	136.7 Å²	136.7	80%	0.798	79%	0.792	S	S	*	*			trans	-71.6	128.5	159.8	45.7	0	0	0	0	109.3	P129	P129-T131 PolarHBondContact O-N 2.87Å
132	S	38.7	Very low	37	Very low	111 Å²	111	136 Å²	136	78%	0.776	79%	0.792	S	S	*	*			trans	-139.5	133.3	168.5	47.6	0	0	0	0	110.5
133	Y	38.7	Very low	36.8	Very low	214 Å²	214	132.9 Å²	132.9	84%	0.839	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-82.3	153.6	-173.1	-75.7	-104	0	0	0	111.3
134	P	40.5	Very low	36.6	Very low	115 Å²	115	130.3 Å²	130.3	75%	0.747	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-71.7	140.8	171	31.1	-34	0	0	0	110.8
135	P	48.9	Very low	36.6	Very low	116 Å²	116	130.9 Å²	130.9	75%	0.753	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-74.1	151.1	171.6	31.2	-33.8	0	0	0	111.4
136	P	38.2	Very low	36.3	Very low	109 Å²	109	134.3 Å²	134.3	71%	0.708	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-78.3	156.8	-177.7	33	-36	0	0	0	112.5	I138	P136-I138 PolarHBondContact O-N 2.82Å
137	P	34.5	Very low	36.4	Very low	130 Å²	130	131.3 Å²	131.3	84%	0.844	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-77.9	120.3	178.2	31.2	-32.9	0	0	0	111.3
138	I	38.3	Very low	36	Very low	155 Å²	155	128.8 Å²	128.8	80%	0.795	79%	0.79	S	S	*	*			trans	-92.4	112	167.1	-62.6	177.2	0	0	0	108	P136	P136-I138 PolarHBondContact O-N 2.82Å
139	G	30.7	Very low	35.6	Very low	71 Å²	71	133 Å²	133	73%	0.732	80%	0.798	S	S	*	*			trans	-82.2	136.1	173.4	0	0	0	0	0	111.6
140	I	38.1	Very low	35.3	Very low	158 Å²	158	140 Å²	140	81%	0.81	81%	0.81	S	S	*	*			trans	-126.3	123	162.6	-61.6	-178.6	0	0	0	107.7
141	S	30.7	Very low	34.8	Very low	124 Å²	124	136.9 Å²	136.9	87%	0.867	80%	0.8	S	S	*	*			trans	-89.8	128.9	-179.6	-58.3	0	0	0	0	110.2
142	A	36	Very low	34.6	Very low	98 Å²	98	138.5 Å²	138.5	81%	0.81	80%	0.802	S	S	*	*			trans	-148.7	132.2	164	0	0	0	0	0	111.3
143	A	34.7	Very low	34.4	Very low	108 Å²	108	141.7 Å²	141.7	89%	0.893	80%	0.802	S	S	*	*			trans	-61	126.5	-166.7	0	0	0	0	0	116.5
144	G	29.8	Very low	34.1	Very low	65 Å²	65	140.4 Å²	140.4	67%	0.67	80%	0.801	S	S	*	*				69.9	112.5	115.3	0	0	0	0	0	120.5
145	Y	32.5	Very low	33.8	Very low	243 Å²	243	140 Å²	140	95%	0.953	80%	0.797	S	S	*	*			trans	-149.6	146.6	131.9	-119.5	-84.5	0	0	0	110.5
146	K	29	Very low	32.9	Very low	200 Å²	200	140.6 Å²	140.6	87%	0.87	79%	0.793	S	S	*	*			trans	-104.5	122.3	-171.3	-70.2	174.4	175.8	174.3	0	112.7
147	S	32.9	Very low	32.8	Very low	116 Å²	116	138.8 Å²	138.8	81%	0.811	78%	0.783	S	S	*	*			trans	174.2	111.9	144.2	50.3	0	0	0	0	109.2
148	S	30.4	Very low	32.7	Very low	100 Å²	100	140 Å²	140	70%	0.699	77%	0.772	S	S	*	*				89.2	105	65.2	-172.5	0	0	0	0	114.4
149	K	29.6	Very low	32.3	Very low	192 Å²	192	142 Å²	142	84%	0.835	77%	0.77	S	S	*	*			trans	64.1	102.2	152.1	-62	175.6	-179.4	-179.5	0	119.9
150	R	33.4	Very low	32.3	Very low	260 Å²	260	144.3 Å²	144.3	98%	0.981	76%	0.764	S	S	*	*			trans	166.4	142.4	136.7	-90.2	157.2	-168.3	-160.8	5.3	107.8
151	G	31.5	Very low	32.1	Very low	59 Å²	59	142.8 Å²	142.8	61%	0.608	76%	0.762	S	S	*	*			cis	-175.3	136	-6.9	0	0	0	0	0	109.4	F153	G151-F153 PolarHBondContact O-N 3.19Å; G151-F153 VanDerWaalsContact O-N 3.1Å
152	I	30.4	Very low	32.4	Very low	165 Å²	165	142.2 Å²	142.2	85%	0.846	75%	0.748	S	S	*	*			trans	-74.1	98.5	-174.4	-63.1	157.4	0	0	0	109.4
153	F	32.6	Very low	32.7	Very low	178 Å²	178	145.8 Å²	145.8	78%	0.781	75%	0.746	S	S	*	*			trans	-139.9	-10	-176	-100.9	-80.9	0	0	0	117.9	G151	G151-F153 PolarHBondContact O-N 3.19Å; G151-F153 VanDerWaalsContact O-N 3.1Å
154	K	34.4	Very low	33.8	Very low	186 Å²	186	148 Å²	148	81%	0.809	73%	0.731	S	S	*	*	S	Bend	trans	-88.8	-11.5	-178.1	-79.3	-167.5	172.2	-172.3	0	116.2
155	T	33.3	Very low	36.1	Very low	108 Å²	108	146 Å²	146	66%	0.663	71%	0.711	S	S	*	*	S	Bend	trans	-98	-11	-174.9	-27.5	0	0	0	0	114.2
156	L	29.2	Very low	38.7	Very low	127 Å²	127	137.4 Å²	137.4	67%	0.665	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-33	-173.3	-135.2	76.2	0	0	0	113.5	R159 L160	L156-R159 PolarHBondContact O-N 2.66Å; L156-L160 PolarHBondContact O-N 3.33Å
157	S	36.5	Very low	41.7	Very low	72 Å²	72	128.5 Å²	128.5	50%	0.503	65%	0.646	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.3	-42.1	177.8	48.6	0	0	0	0	112.4	R159 L160 V161	S157-R159 VanDerWaalsContact C-N 3.27Å; S157-R159 PolarHBondContact O-N 3.4Å; S157-L160 PolarHBondContact O-N 2.65Å; S157-V161 PolarHBondContact O-N 2.71Å; S157-V161 VanDerWaalsContact O-N 3.14Å
158	Y	33.2	Very low	44.5	Very low	156 Å²	156	123.7 Å²	123.7	61%	0.612	61%	0.611	S	S	*	*	H	α-helix	trans	-58.6	-36.2	-179.7	-161.8	-96.7	0	0	0	112.9	L162	Y158-L162 HydrophobicContact CD1-CD1 3.99Å; Y158-L162 HydrophobicContact CE1-CD1 3.64Å
159	R	29.3	Very low	47.5	Very low	197 Å²	197	119.1 Å²	119.1	74%	0.743	58%	0.579	S	S	*	*	H	α-helix	trans	-80.9	-11.2	176.3	-82.9	-173.8	171	-177.4	-1.7	114.6	L156 S157 K163	L156-R159 PolarHBondContact O-N 2.66Å; S157-R159 VanDerWaalsContact C-N 3.27Å; S157-R159 PolarHBondContact O-N 3.4Å; R159-K163 WeakPolarHBondContact O-CB 3.47Å; R159-K163 WeakPolarHBondContact O-CD 3.44Å; R159-K163 WeakPolarHBondContact O-CG 3.32Å
160	L	29.9	Very low	50.5	Low	119 Å²	119	112.8 Å²	112.8	62%	0.623	55%	0.554	S	S	*	*	H	α-helix	trans	-90.7	-39.5	176	-94.1	151.3	0	0	0	111.8	L156 S157 K163	L156-L160 PolarHBondContact O-N 3.33Å; S157-L160 PolarHBondContact O-N 2.65Å; L160-K163 PolarHBondContact O-N 2.79Å
161	V	35.7	Very low	53.2	Low	125 Å²	125	107.7 Å²	107.7	76%	0.758	54%	0.539	S	S	*	.	H	α-helix	trans	-65.4	-42.2	177.2	179.1	0	0	0	0	111.6	S157 K163	S157-V161 PolarHBondContact O-N 2.71Å; S157-V161 VanDerWaalsContact O-N 3.14Å; V161-K163 VanDerWaalsContact C-N 3.25Å; V161-K163 PolarHBondContact O-N 3.42Å
162	L	36.2	Very low	55.7	Low	112 Å²	112	108.6 Å²	108.6	59%	0.586	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-70.3	-14.2	175.9	-80.5	162.5	0	0	0	114.4	Y158	Y158-L162 HydrophobicContact CD1-CD1 3.99Å; Y158-L162 HydrophobicContact CE1-CD1 3.64Å
163	K	42.3	Very low	57.9	Low	173 Å²	173	111.1 Å²	111.1	75%	0.752	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-83.7	-6.9	-172.6	-98.7	-174.1	179.7	-167.9	0	115.6	R159 L160 V161	R159-K163 WeakPolarHBondContact O-CB 3.47Å; R159-K163 WeakPolarHBondContact O-CD 3.44Å; R159-K163 WeakPolarHBondContact O-CG 3.32Å; L160-K163 PolarHBondContact O-N 2.79Å; V161-K163 VanDerWaalsContact C-N 3.25Å; V161-K163 PolarHBondContact O-N 3.42Å
164	R	57.7	Low	60.3	Low	154 Å²	154	108.2 Å²	108.2	58%	0.581	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-117.3	52.2	170.1	-66.4	-170.8	179	-173.2	0.6	110.4	T166 W711	R164-T166 PolarHBondContact O-N 2.83Å; R164-W711 HydrophobicContact CB-CB 4.37Å; R164-W711 HydrophobicContact CB-CD2 3.9Å; R164-W711 HydrophobicContact CB-CE3 4.14Å; R164-W711 HydrophobicContact CB-CG 3.98Å; R164-W711 WeakPolarHBondContact O-CB 3.25Å
165	G	77.8	Confident	62.8	Low	24 Å²	24	99.8 Å²	99.8	25%	0.247	48%	0.479	C	S	.	.			trans	-60.5	-42.3	-176.7	0	0	0	0	0	114	N652 Y695 S710 W711	G165-N652 PolarHBondContact O-OD1 2.88Å; G165-Y695 PolarHBondContact O-OH 3.3Å; G165-S710 WeakPolarHBondContact O-CA 3.43Å; G165-W711 PolarHBondContact O-N 3.48Å
166	T	88.1	Confident	65.6	Low	62 Å²	62	95.8 Å²	95.8	38%	0.38	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	143.8	-173.5	-54	0	0	0	0	111.2	R164 Y695 L699 L708 C709	R164-T166 PolarHBondContact O-N 2.83Å; T166-Y695 HydrophobicContact CG2-CE1 3.97Å; T166-Y695 PolarHBondContact OG1-OH 3.13Å; T166-L699 HydrophobicContact CG2-CD1 4.01Å; T166-L708 HydrophobicContact CG2-CB 4.21Å; T166-L708 HydrophobicContact CG2-CD2 4.23Å; T166-C709 WeakPolarHBondContact CA-O 3.47Å
167	V	91.3	Very high	68.5	Low	14 Å²	14	91.4 Å²	91.4	9%	0.085	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	151.3	172.4	63	0	0	0	0	110.6	L169 E172 I175 L708 C709 W711 R714	V167-L169 HydrophobicContact CG1-CD2 3.82Å; V167-L169 HydrophobicContact CG2-CD2 4.44Å; V167-E172 HydrophobicContact CG2-CB 4.18Å; V167-I175 HydrophobicContact CG2-CD1 3.98Å; V167-L708 VanDerWaalsContact O-CA 3.3Å; V167-L708 WeakPolarHBondContact O-CA 3.21Å; V167-C709 VanDerWaalsContact CG1-SG 3.53Å; V167-C709 PolarHBondContact N-O 3.17Å; V167-C709 PolarHBondContact O-N 2.96Å; V167-W711 HydrophobicContact CB-CE3 4.07Å; V167-W711 HydrophobicContact CG2-CE3 4.38Å; V167-W711 HydrophobicContact CG2-CZ3 4.34Å; V167-R714 HydrophobicContact CG1-CB 3.83Å
168	D	92.1	Very high	71.1	Confident	14 Å²	14	91.6 Å²	91.6	8%	0.075	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	104.8	173	-175	5.6	0	0	0	109	L170 K171 E172 R706 V707 L708	D168-L170 PolarHBondContact O-N 3.37Å; D168-L170 VanDerWaalsContact O-N 3.15Å; D168-K171 HydrophobicContact CB-CB 4.38Å; D168-K171 HydrophobicContact CB-CD 4.37Å; D168-K171 HydrophobicContact CB-CG 4.36Å; D168-K171 PolarHBondContact O-N 2.95Å; D168-K171 VanDerWaalsContact OD2-CD 3.3Å; D168-K171 WeakPolarHBondContact OD2-CD 3.36Å; D168-K171 VanDerWaalsContact OD2-CE 3.24Å; D168-K171 WeakPolarHBondContact OD2-CE 3.33Å; D168-K171 WeakPolarHBondContact OD2-CG 3.35Å; D168-E172 PolarHBondContact O-N 3.22Å; D168-R706 IonicContact OD2-CZ 3.14Å; D168-R706 IonicContact OD2-NE 2.74Å; D168-R706 PolarHBondContact OD2-NE 2.86Å; D168-R706 IonicContact OD2-NH2 2.71Å; D168-R706 PolarHBondContact OD2-NH2 2.87Å; D168-V707 WeakPolarHBondContact CA-O 3.33Å; D168-V707 PolarHBondContact OD1-N 3.48Å; D168-L708 HydrophobicContact CB-CD2 3.75Å
169	L	93.1	Very high	73.9	Confident	4 Å²	4	88.1 Å²	88.1	2%	0.021	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-18.3	-170.2	-59.5	-177.8	0	0	0	113.3	V167 K171 I175 V707 R714 P717 L892	V167-L169 HydrophobicContact CG1-CD2 3.82Å; V167-L169 HydrophobicContact CG2-CD2 4.44Å; L169-K171 VanDerWaalsContact C-N 3.33Å; L169-I175 HydrophobicContact CD2-CD1 3.8Å; L169-I175 HydrophobicContact CD2-CG1 4.04Å; L169-V707 HydrophobicContact CB-CB 4.33Å; L169-V707 HydrophobicContact CB-CG1 4.19Å; L169-V707 HydrophobicContact CD1-CG1 4.1Å; L169-V707 HydrophobicContact CG-CG1 4.4Å; L169-V707 PolarHBondContact N-O 2.58Å; L169-R714 HydrophobicContact CD2-CB 4.17Å; L169-P717 HydrophobicContact CD1-CG 3.67Å; L169-L892 HydrophobicContact CB-CD1 4.08Å; L169-L892 HydrophobicContact CB-CD2 4.06Å; L169-L892 HydrophobicContact CD1-CD2 4.07Å; L169-L892 WeakPolarHBondContact O-CD1 3.11Å
170	L	92.3	Very high	76.7	Confident	59 Å²	59	82.7 Å²	82.7	31%	0.309	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-13.1	174.1	-64.5	177.7	0	0	0	113.6	D168 V707 L892 Q896	D168-L170 PolarHBondContact O-N 3.37Å; D168-L170 VanDerWaalsContact O-N 3.15Å; L170-V707 HydrophobicContact CD1-CB 4.47Å; L170-V707 HydrophobicContact CD1-CG2 3.78Å; L170-V707 HydrophobicContact CD2-CG2 4.32Å; L170-V707 HydrophobicContact CG-CB 4.14Å; L170-V707 HydrophobicContact CG-CG2 3.8Å; L170-L892 HydrophobicContact CD2-CB 3.85Å; L170-Q896 HydrophobicContact CD1-CB 4.26Å; L170-Q896 HydrophobicContact CD1-CG 3.81Å; L170-Q896 VanDerWaalsContact CD1-NE2 3.26Å
171	K	89.4	Confident	79.6	Confident	153 Å²	153	78.5 Å²	78.5	67%	0.665	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-29.7	179	-66.5	-173.1	-178.8	-173.2	0	113.1	D168 L169	D168-K171 HydrophobicContact CB-CB 4.38Å; D168-K171 HydrophobicContact CB-CD 4.37Å; D168-K171 HydrophobicContact CB-CG 4.36Å; D168-K171 PolarHBondContact O-N 2.95Å; D168-K171 VanDerWaalsContact OD2-CD 3.3Å; D168-K171 WeakPolarHBondContact OD2-CD 3.36Å; D168-K171 VanDerWaalsContact OD2-CE 3.24Å; D168-K171 WeakPolarHBondContact OD2-CE 3.33Å; D168-K171 WeakPolarHBondContact OD2-CG 3.35Å; L169-K171 VanDerWaalsContact C-N 3.33Å
172	E	84.9	Confident	82.2	Confident	79 Å²	79	80.4 Å²	80.4	37%	0.369	40%	0.398	S	S	.	.			trans	-90.9	103.7	-178.6	-173.9	54.6	-92.9	0	0	110.8	V167 D168 H174 I175	V167-E172 HydrophobicContact CG2-CB 4.18Å; D168-E172 PolarHBondContact O-N 3.22Å; E172-H174 PolarHBondContact OE1-N 3.13Å; E172-I175 HydrophobicContact CB-CD1 3.96Å; E172-I175 HydrophobicContact CG-CB 4.44Å; E172-I175 HydrophobicContact CG-CD1 3.52Å
173	R	77.1	Confident	84.8	Confident	218 Å²	218	77.3 Å²	77.3	82%	0.823	39%	0.385	S	S	*	.	S	Bend	trans	-75.3	-24.8	179.5	-68.7	-172.8	179.8	-174.8	-0.2	112.9
174	H	81.8	Confident	87.1	Confident	116 Å²	116	71.4 Å²	71.4	54%	0.537	36%	0.364	S	S	.	.			trans	-121.6	69.3	-173	-61.1	-41.8	0	0	0	110.3	E172	E172-H174 PolarHBondContact OE1-N 3.13Å
175	I	88.5	Confident	88.6	Confident	10 Å²	10	69.7 Å²	69.7	5%	0.051	37%	0.371	C	S	.	.			trans	-76.5	-25.5	-174.9	-155.4	67.6	0	0	0	113.2	V167 L169 E172 R714 L715 L718 Y888	V167-I175 HydrophobicContact CG2-CD1 3.98Å; L169-I175 HydrophobicContact CD2-CD1 3.8Å; L169-I175 HydrophobicContact CD2-CG1 4.04Å; E172-I175 HydrophobicContact CB-CD1 3.96Å; E172-I175 HydrophobicContact CG-CB 4.44Å; E172-I175 HydrophobicContact CG-CD1 3.52Å; I175-R714 HydrophobicContact CD1-CB 3.86Å; I175-R714 HydrophobicContact CD1-CG 4.1Å; I175-R714 HydrophobicContact CG1-CB 3.8Å; I175-R714 HydrophobicContact CG1-CG 3.79Å; I175-R714 PolarHBondContact O-NE 3.04Å; I175-L715 HydrophobicContact CB-CD2 4.48Å; I175-L715 HydrophobicContact CG1-CD2 4.28Å; I175-L715 HydrophobicContact CG2-CD2 3.87Å; I175-L715 WeakPolarHBondContact O-CD2 3.48Å; I175-L718 HydrophobicContact CG2-CD2 4.38Å; I175-Y888 HydrophobicContact CG2-CE1 4.28Å
176	L	90.4	Very high	89.3	Confident	24 Å²	24	71 Å²	71	13%	0.126	38%	0.375	C	S	.	.	S	Bend	trans	-75.1	128.8	173.3	-170	80.3	0	0	0	109.9	Y760 L778	L176-Y760 HydrophobicContact CD1-CE1 3.83Å; L176-Y760 HydrophobicContact CD2-CE1 4.09Å; L176-L778 HydrophobicContact CD2-CB 4.49Å
177	P	91.2	Very high	89.4	Confident	34 Å²	34	72.6 Å²	72.6	22%	0.221	38%	0.384	C	S	.	.			trans	-69.1	150.4	170.1	28.8	-32.3	0	0	0	111.7	T179 V181	P177-T179 WeakPolarHBondContact CG-O 3.46Å; P177-T179 PolarHBondContact O-N 3.28Å; P177-V181 HydrophobicContact CG-CG2 3.74Å
178	S	90.6	Very high	89.4	Confident	76 Å²	76	73.1 Å²	73.1	53%	0.531	39%	0.386	S	S	.	.	S	Bend	trans	-71.1	-4.1	174.1	55.2	0	0	0	0	114.1	L778	S178-L778 PolarHBondContact O-N 2.67Å
179	T	91.4	Very high	89.3	Confident	83 Å²	83	74 Å²	74	51%	0.509	39%	0.392	S	S	.	.	S	Bend	trans	-122.7	157.1	176.5	59	0	0	0	0	109.7	P177 L778	P177-T179 WeakPolarHBondContact CG-O 3.46Å; P177-T179 PolarHBondContact O-N 3.28Å; T179-L778 VanDerWaalsContact C-CD1 3.47Å
180	P	88.7	Confident	89.1	Confident	83 Å²	83	78.2 Å²	78.2	54%	0.539	42%	0.42	S	S	.	.			trans	-50.2	143.4	177.5	-29.2	36.5	0	0	0	113.4	E182 L778	P180-E182 PolarHBondContact O-N 3.37Å; P180-L778 HydrophobicContact CG-CD1 4.41Å
181	V	91.6	Very high	88.8	Confident	31 Å²	31	80 Å²	80	19%	0.188	44%	0.436	C	S	.	.			trans	-73.4	109.7	-178.6	177.3	0	0	0	0	109.8	P177 Q657 L715	P177-V181 HydrophobicContact CG-CG2 3.74Å; V181-Q657 PolarHBondContact O-NE2 2.74Å; V181-L715 HydrophobicContact CG1-CD1 4.28Å; V181-L715 HydrophobicContact CG2-CD1 3.6Å
182	E	90.8	Very high	88.5	Confident	165 Å²	165	75.9 Å²	75.9	77%	0.771	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-70.8	148.2	177.9	-65	-174.8	164.8	0	0	112.8	P180	P180-E182 PolarHBondContact O-N 3.37Å
183	P	90.5	Very high	88.4	Confident	48 Å²	48	76.8 Å²	76.8	31%	0.312	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-65.4	142.7	172.4	27.7	-34.5	0	0	0	111.6	P201	P183-P201 HydrophobicContact CB-CB 4.17Å; P183-P201 HydrophobicContact CB-CG 4.46Å; P183-P201 HydrophobicContact CG-CB 4.04Å; P183-P201 HydrophobicContact CG-CG 3.98Å
184	P	91	Very high	88.5	Confident	48 Å²	48	68.8 Å²	68.8	31%	0.312	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-64.8	139.4	173.4	28.7	-34.7	0	0	0	111.1	T209 D655	P184-T209 HydrophobicContact CB-CG2 3.8Å; P184-T209 HydrophobicContact CG-CG2 3.65Å; P184-D655 HydrophobicContact CG-CB 3.66Å
185	T	89.2	Confident	88.1	Confident	118 Å²	118	68.2 Å²	68.2	72%	0.724	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-80.3	128.6	179	-57.9	0	0	0	0	110.9	V187	T185-V187 PolarHBondContact O-N 2.88Å
186	V	91.1	Very high	87.5	Confident	53 Å²	53	75.6 Å²	75.6	32%	0.321	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-71.2	126.1	171	-176.5	0	0	0	0	109.4	L188 T209 L641	V186-L188 HydrophobicContact CG1-CD2 4.39Å; V186-L188 HydrophobicContact CG1-CG 4.13Å; V186-T209 HydrophobicContact CG2-CG2 4.08Å; V186-L641 HydrophobicContact CB-CD2 4.44Å; V186-L641 HydrophobicContact CG1-CD2 3.83Å; V186-L641 HydrophobicContact CG2-CD2 3.65Å
187	V	90.2	Very high	87.1	Confident	94 Å²	94	76.3 Å²	76.3	57%	0.57	45%	0.448	S	S	*	.			trans	-109	104.6	174.7	-178.3	0	0	0	0	108.5	T185 P642	T185-V187 PolarHBondContact O-N 2.88Å; V187-P642 WeakPolarHBondContact O-CG 3.32Å
188	L	91.6	Very high	86.6	Confident	26 Å²	26	79.2 Å²	79.2	14%	0.136	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-84.1	148.9	179.6	-74.4	166.6	0	0	0	111.7	V186 Y192 D193 Y259 V616 C640	V186-L188 HydrophobicContact CG1-CD2 4.39Å; V186-L188 HydrophobicContact CG1-CG 4.13Å; L188-Y192 VanDerWaalsContact CD1-O 3.29Å; L188-Y192 WeakPolarHBondContact CD1-O 2.87Å; L188-D193 WeakPolarHBondContact O-CB 3.37Å; L188-Y259 HydrophobicContact CD1-CE1 4.09Å; L188-V616 HydrophobicContact CD2-CG1 4.04Å; L188-C640 HydrophobicContact CD1-CB 4.17Å; L188-C640 HydrophobicContact CD2-CB 4.08Å; L188-C640 VanDerWaalsContact CD2-SG 3.56Å
189	P	90.7	Very high	86.5	Confident	31 Å²	31	76.3 Å²	76.3	20%	0.201	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-78.7	151.2	170.3	32.7	-33.4	0	0	0	110.8	Y192 R615 V616	P189-Y192 WeakPolarHBondContact O-CB 3.38Å; P189-Y192 PolarHBondContact O-N 3.42Å; P189-R615 HydrophobicContact CG-CB 4.36Å; P189-V616 HydrophobicContact CG-CG1 3.6Å
190	P	87.4	Confident	86.5	Confident	93 Å²	93	76.5 Å²	76.5	60%	0.604	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	141.9	170.7	-25.2	33.8	0	0	0	112.4	D193	P190-D193 WeakPolarHBondContact CA-OD1 3.34Å
191	P	85.9	Confident	86.6	Confident	98 Å²	98	75.1 Å²	75.1	64%	0.636	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	cis	-91	14.7	6.1	38.3	-37.5	0	0	0	114.8	D193	P191-D193 VanDerWaalsContact C-N 3.33Å
192	Y	84.6	Confident	86.5	Confident	66 Å²	66	77.1 Å²	77.1	26%	0.259	44%	0.443	S	S	.	.	S	Bend	trans	-87.3	1.1	-174.4	-56	-74.9	0	0	0	113.8	L188 P189 S194 Y259 V616	L188-Y192 VanDerWaalsContact CD1-O 3.29Å; L188-Y192 WeakPolarHBondContact CD1-O 2.87Å; P189-Y192 WeakPolarHBondContact O-CB 3.38Å; P189-Y192 PolarHBondContact O-N 3.42Å; Y192-S194 PolarHBondContact O-N 3.24Å; Y192-S194 VanDerWaalsContact O-N 3.11Å; Y192-Y259 HydrophobicContact CD1-CD1 4.42Å; Y192-Y259 WeakPolarHBondContact CE1-O 3.48Å; Y192-V616 HydrophobicContact CD2-CG1 3.89Å; Y192-V616 HydrophobicContact CD2-CG2 4.03Å; Y192-V616 HydrophobicContact CE2-CG1 4.24Å; Y192-V616 HydrophobicContact CE2-CG2 3.61Å
193	D	82.2	Confident	86.7	Confident	97 Å²	97	69.2 Å²	69.2	52%	0.519	41%	0.406	S	S	.	.			trans	-81	21	-170.1	63.3	-44.5	0	0	0	115	L188 P190 P191 S195	L188-D193 WeakPolarHBondContact O-CB 3.37Å; P190-D193 WeakPolarHBondContact CA-OD1 3.34Å; P191-D193 VanDerWaalsContact C-N 3.33Å; D193-S195 PolarHBondContact O-N 3.31Å
194	S	79.9	Confident	87	Confident	50 Å²	50	67 Å²	67	35%	0.35	39%	0.392	S	S	.	.			trans	-66	119.2	177.5	180	0	0	0	0	111.9	Y192 E196 I197	Y192-S194 PolarHBondContact O-N 3.24Å; Y192-S194 VanDerWaalsContact O-N 3.11Å; S194-E196 PolarHBondContact O-N 3.24Å; S194-E196 PolarHBondContact OG-N 2.96Å; S194-I197 PolarHBondContact O-N 2.96Å
195	S	72.5	Confident	87.2	Confident	105 Å²	105	65.7 Å²	65.7	73%	0.734	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-8.8	174.9	54.3	0	0	0	0	114.5	D193	D193-S195 PolarHBondContact O-N 3.31Å
196	E	77	Confident	87.7	Confident	164 Å²	164	60.4 Å²	60.4	77%	0.766	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-25.8	178.5	-59.7	-174.5	171.9	0	0	112.4	S194	S194-E196 PolarHBondContact O-N 3.24Å; S194-E196 PolarHBondContact OG-N 2.96Å
197	I	80.9	Confident	88	Confident	39 Å²	39	57.9 Å²	57.9	20%	0.2	33%	0.333	C	S	.	.			trans	-100.2	96.3	-176.2	-61.9	160.4	0	0	0	108.2	S194 P258 Y259 A304	S194-I197 PolarHBondContact O-N 2.96Å; I197-P258 HydrophobicContact CB-CB 4.42Å; I197-P258 HydrophobicContact CD1-CB 3.82Å; I197-P258 HydrophobicContact CG1-CB 4.06Å; I197-P258 HydrophobicContact CG2-CB 3.46Å; I197-P258 VanDerWaalsContact CG2-CB 3.46Å; I197-P258 HydrophobicContact CG2-CG 3.99Å; I197-Y259 HydrophobicContact CG2-CE1 3.72Å; I197-Y259 HydrophobicContact CG2-CE2 4.49Å; I197-A304 HydrophobicContact CG2-CB 4.47Å
198	S	80.5	Confident	88.4	Confident	96 Å²	96	53.4 Å²	53.4	67%	0.671	31%	0.306	S	S	*	.			trans	-135.6	141.1	174.3	-166	0	0	0	0	111.1
199	I	90	Very high	88.6	Confident	14 Å²	14	52.9 Å²	52.9	7%	0.072	30%	0.304	C	S	.	.			trans	-88.9	139.3	170.5	-169.9	148	0	0	0	109.2	P201 V203 L204 A304 H637 I639	I199-P201 WeakPolarHBondContact O-CD 3.29Å; I199-V203 HydrophobicContact CD1-CG1 4.39Å; I199-V203 HydrophobicContact CG1-CB 4.37Å; I199-V203 HydrophobicContact CG1-CG1 4.46Å; I199-L204 HydrophobicContact CD1-CB 3.61Å; I199-L204 HydrophobicContact CD1-CD2 3.95Å; I199-L204 HydrophobicContact CD1-CG 4.33Å; I199-L204 HydrophobicContact CG1-CB 4.2Å; I199-A304 HydrophobicContact CB-CB 3.98Å; I199-H637 HydrophobicContact CD1-CB 3.98Å; I199-I639 HydrophobicContact CG2-CB 4.2Å; I199-I639 HydrophobicContact CG2-CD1 4.07Å; I199-I639 HydrophobicContact CG2-CG1 3.98Å
200	Q	90.2	Very high	88.8	Confident	87 Å²	87	52.5 Å²	52.5	41%	0.407	30%	0.301	S	S	.	.			trans	-63.5	126.9	175.7	-68.7	-170.9	-2.1	0	0	109.2	D202 V203	Q200-D202 PolarHBondContact O-N 2.87Å; Q200-D202 VanDerWaalsContact O-N 3.11Å; Q200-V203 HydrophobicContact CB-CG2 3.92Å; Q200-V203 WeakPolarHBondContact O-CB 3.45Å; Q200-V203 PolarHBondContact O-N 3.24Å
201	P	90.7	Very high	89.3	Confident	55 Å²	55	48 Å²	48	36%	0.357	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-32.5	-174.9	-28.4	35.6	0	0	0	113.6	P183 I199 V203 R205	P183-P201 HydrophobicContact CB-CB 4.17Å; P183-P201 HydrophobicContact CB-CG 4.46Å; P183-P201 HydrophobicContact CG-CB 4.04Å; P183-P201 HydrophobicContact CG-CG 3.98Å; I199-P201 WeakPolarHBondContact O-CD 3.29Å; P201-V203 PolarHBondContact O-N 2.86Å; P201-R205 HydrophobicContact CB-CG 4.13Å; P201-R205 WeakPolarHBondContact O-CD 3.43Å; P201-R205 WeakPolarHBondContact O-CG 3.27Å
202	D	90.5	Very high	89.8	Confident	72 Å²	72	43.4 Å²	43.4	39%	0.385	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-15.6	177.2	-65.4	-3.7	0	0	0	114.7	Q200 H230 K233	Q200-D202 PolarHBondContact O-N 2.87Å; Q200-D202 VanDerWaalsContact O-N 3.11Å; D202-H230 WeakPolarHBondContact O-CB 3.44Å; D202-K233 HydrophobicContact CB-CD 3.71Å; D202-K233 WeakPolarHBondContact OD2-CE 3.44Å; D202-K233 IonicContact OD2-NZ 3.72Å; D202-K233 PolarHBondContact OD2-NZ 3.04Å
203	V	95.1	Very high	90.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-45.6	-176.6	175.4	0	0	0	0	111.6	I199 Q200 P201 H230 K233 L235 H637	I199-V203 HydrophobicContact CD1-CG1 4.39Å; I199-V203 HydrophobicContact CG1-CB 4.37Å; I199-V203 HydrophobicContact CG1-CG1 4.46Å; Q200-V203 HydrophobicContact CB-CG2 3.92Å; Q200-V203 WeakPolarHBondContact O-CB 3.45Å; Q200-V203 PolarHBondContact O-N 3.24Å; P201-V203 PolarHBondContact O-N 2.86Å; V203-H230 PolarHBondContact O-N 2.98Å; V203-K233 HydrophobicContact CG2-CB 4.48Å; V203-K233 HydrophobicContact CG2-CD 3.86Å; V203-L235 HydrophobicContact CG2-CD1 4.47Å; V203-L235 HydrophobicContact CG2-CD2 3.49Å; V203-L235 VanDerWaalsContact CG2-CD2 3.49Å; V203-H637 HydrophobicContact CG1-CB 4.18Å; V203-H637 VanDerWaalsContact CG1-CE1 3.49Å; V203-H637 WeakPolarHBondContact CG1-CE1 3.31Å; V203-H637 VanDerWaalsContact CG1-ND1 3.32Å; V203-H637 WeakPolarHBondContact CG1-ND1 3.47Å
204	L	96.4	Very high	91.1	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	110.6	-177.2	-176.3	56.6	0	0	0	109.4	I199 L227 I228 V229 H637 I639	I199-L204 HydrophobicContact CD1-CB 3.61Å; I199-L204 HydrophobicContact CD1-CD2 3.95Å; I199-L204 HydrophobicContact CD1-CG 4.33Å; I199-L204 HydrophobicContact CG1-CB 4.2Å; L204-L227 HydrophobicContact CD1-CB 4.13Å; L204-L227 HydrophobicContact CD1-CD1 4.32Å; L204-L227 HydrophobicContact CD1-CD2 4.48Å; L204-I228 WeakPolarHBondContact CA-O 3.33Å; L204-V229 HydrophobicContact CD1-CB 4.37Å; L204-V229 HydrophobicContact CD1-CG1 4.36Å; L204-V229 HydrophobicContact CD1-CG2 3.78Å; L204-H637 HydrophobicContact CD2-CB 4.33Å; L204-I639 HydrophobicContact CD2-CB 3.9Å; L204-I639 HydrophobicContact CD2-CG2 3.61Å; L204-I639 HydrophobicContact CG-CB 4.24Å; L204-I639 HydrophobicContact CG-CG2 3.94Å
205	R	95.8	Very high	91.8	Very high	21 Å²	21	36.5 Å²	36.5	8%	0.079	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	146.4	171	-88.5	160.6	85.7	170.8	-1.7	110.1	P201 L227 I228 D655 Q657 T658 L752	P201-R205 HydrophobicContact CB-CG 4.13Å; P201-R205 WeakPolarHBondContact O-CD 3.43Å; P201-R205 WeakPolarHBondContact O-CG 3.27Å; R205-L227 CarbonylContact O-C 3.56Å; R205-L227 VanDerWaalsContact O-CA 3.25Å; R205-L227 WeakPolarHBondContact O-CA 3.23Å; R205-I228 PolarHBondContact N-O 3.28Å; R205-I228 VanDerWaalsContact N-O 3.09Å; R205-I228 PolarHBondContact O-N 3.25Å; R205-D655 IonicContact CZ-OD1 3.74Å; R205-D655 IonicContact CZ-OD2 2.65Å; R205-D655 IonicContact NE-OD2 3.68Å; R205-D655 PolarHBondContact NE-OD2 2.81Å; R205-D655 IonicContact NH2-OD1 2.79Å; R205-D655 PolarHBondContact NH2-OD1 2.8Å; R205-D655 IonicContact NH2-OD2 2.67Å; R205-D655 PolarHBondContact NH2-OD2 3.33Å; R205-Q657 VanDerWaalsContact NH1-OE1 3.08Å; R205-T658 HydrophobicContact CB-CG2 4.05Å; R205-T658 PolarHBondContact NE-OG1 3.35Å; R205-L752 VanDerWaalsContact CZ-CD2 3.48Å; R205-L752 VanDerWaalsContact NH1-CD2 3.34Å
206	C	97.9	Very high	93	Very high	6 Å²	6	36.7 Å²	36.7	4%	0.041	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	151.7	166	-172.7	0	0	0	0	109.5	L208 G226 L227 L641	C206-L208 WeakPolarHBondContact CB-O 3.37Å; C206-L208 PolarHBondContact O-N 3.31Å; C206-L208 PolarHBondContact SG-O 3.45Å; C206-G226 CarbonylContact C-O 3.53Å; C206-G226 VanDerWaalsContact CA-O 3.29Å; C206-G226 WeakPolarHBondContact CA-O 3.15Å; C206-G226 PolarHBondContact SG-O 3.43Å; C206-L227 HydrophobicContact CB-CD2 3.76Å; C206-L641 HydrophobicContact CB-CD1 3.48Å; C206-L641 VanDerWaalsContact CB-CD1 3.48Å
207	T	98.3	Very high	93.9	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-60.2	-18.8	171.4	51.5	0	0	0	0	113.3	P224 L225 G226 D655 T658 V659 L662	T207-P224 VanDerWaalsContact CB-O 3.22Å; T207-P224 WeakPolarHBondContact CB-O 3.2Å; T207-P224 PolarHBondContact OG1-O 2.83Å; T207-L225 WeakPolarHBondContact OG1-CA 3.44Å; T207-G226 PolarHBondContact N-O 2.9Å; T207-G226 PolarHBondContact OG1-N 3.44Å; T207-G226 PolarHBondContact OG1-O 3.48Å; T207-D655 PolarHBondContact O-N 2.65Å; T207-T658 HydrophobicContact CG2-CG2 4.02Å; T207-V659 HydrophobicContact CG2-CG2 4.17Å; T207-L662 HydrophobicContact CG2-CB 4.14Å; T207-L662 HydrophobicContact CG2-CD2 3.67Å
208	L	97.7	Very high	94.6	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-135.1	128.4	-179.3	-54.9	171.3	0	0	0	109.3	C206 T210 P212 L223 L225 I650 G653 A654	C206-L208 WeakPolarHBondContact CB-O 3.37Å; C206-L208 PolarHBondContact O-N 3.31Å; C206-L208 PolarHBondContact SG-O 3.45Å; L208-T210 WeakPolarHBondContact CB-O 3.45Å; L208-P212 HydrophobicContact CD1-CG 4.27Å; L208-L223 HydrophobicContact CD2-CB 4.23Å; L208-L223 HydrophobicContact CD2-CD1 3.89Å; L208-L225 HydrophobicContact CD1-CD1 3.92Å; L208-I650 HydrophobicContact CD1-CG2 3.97Å; L208-I650 HydrophobicContact CD2-CG2 4.1Å; L208-G653 CarbonylContact C-O 3.56Å; L208-G653 WeakPolarHBondContact CA-O 3.49Å; L208-A654 HydrophobicContact CD2-CB 3.96Å
209	T	95.8	Very high	95.3	Very high	15 Å²	15	28.9 Å²	28.9	9%	0.092	16%	0.156	C	C	.	.	S	Bend	trans	-74.5	-17.1	168.9	65.5	0	0	0	0	112.4	P184 V186 P642 G653	P184-T209 HydrophobicContact CB-CG2 3.8Å; P184-T209 HydrophobicContact CG-CG2 3.65Å; V186-T209 HydrophobicContact CG2-CG2 4.08Å; T209-P642 WeakPolarHBondContact O-CD 3.41Å; T209-P642 WeakPolarHBondContact O-CG 3.49Å; T209-G653 PolarHBondContact N-O 3.2Å; T209-G653 WeakPolarHBondContact OG1-CA 3.45Å; T209-G653 PolarHBondContact OG1-O 2.84Å; T209-G653 VanDerWaalsContact OG1-O 3.11Å
210	T	96.1	Very high	95.6	Very high	23 Å²	23	34 Å²	34	14%	0.141	18%	0.177	C	C	.	.	S	Bend	trans	-127.5	110.8	172.2	-54.6	0	0	0	0	108.1	L208 P642	L208-T210 WeakPolarHBondContact CB-O 3.45Å; T210-P642 CarbonylContact C-O 3.57Å; T210-P642 WeakPolarHBondContact CA-O 3.42Å; T210-P642 HydrophobicContact CG2-CB 4.42Å; T210-P642 HydrophobicContact CG2-CG 4.25Å
211	V	97.2	Very high	95.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	150	-175	-60.6	0	0	0	0	111.2	L225 F574 A617 F619 L641 P642 T643 S644	V211-L225 HydrophobicContact CB-CD1 4.09Å; V211-L225 HydrophobicContact CG1-CD1 3.74Å; V211-F574 HydrophobicContact CB-CE1 4.37Å; V211-F574 HydrophobicContact CB-CZ 4.24Å; V211-F574 HydrophobicContact CG2-CE1 4.24Å; V211-F574 HydrophobicContact CG2-CE2 4.49Å; V211-F574 HydrophobicContact CG2-CZ 3.65Å; V211-A617 HydrophobicContact CG2-CB 3.82Å; V211-F619 HydrophobicContact CG1-CE2 4.44Å; V211-L641 HydrophobicContact CG1-CB 4.25Å; V211-L641 HydrophobicContact CG1-CD1 3.69Å; V211-P642 PolarHBondContact N-O 2.9Å; V211-T643 HydrophobicContact CG2-CG2 3.92Å; V211-T643 CarbonylContact O-C 3.46Å; V211-T643 VanDerWaalsContact O-CA 3.26Å; V211-T643 WeakPolarHBondContact O-CA 3.19Å; V211-S644 PolarHBondContact O-N 2.73Å
212	P	97.3	Very high	96.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	139.3	176	-18	32.7	0	0	0	111.1	L208 S214 A217 L218 I608 S644 I650	L208-P212 HydrophobicContact CD1-CG 4.27Å; P212-S214 VanDerWaalsContact C-N 3.33Å; P212-A217 HydrophobicContact CB-CB 3.85Å; P212-L218 HydrophobicContact CB-CB 4.04Å; P212-L218 HydrophobicContact CG-CB 3.93Å; P212-L218 HydrophobicContact CG-CD1 4.05Å; P212-I608 HydrophobicContact CB-CD1 3.95Å; P212-I608 VanDerWaalsContact O-CD1 3.29Å; P212-I608 WeakPolarHBondContact O-CD1 3.46Å; P212-S644 VanDerWaalsContact CA-O 3.32Å; P212-S644 WeakPolarHBondContact CA-O 3.26Å; P212-I650 HydrophobicContact CB-CD1 3.98Å; P212-I650 HydrophobicContact CG-CD1 3.96Å; P212-I650 HydrophobicContact CG-CG1 4.4Å; P212-I650 HydrophobicContact CG-CG2 4.38Å
213	S	96.1	Very high	96.5	Very high	13 Å²	13	28.4 Å²	28.4	9%	0.091	14%	0.14	C	C	.	.	S	Bend	trans	-82.4	-5.6	173.7	35.8	0	0	0	0	114.2	I612 S644 E645	S213-I612 WeakPolarHBondContact O-CD1 3.31Å; S213-I612 PolarHBondContact O-N 2.74Å; S213-S644 PolarHBondContact N-O 3.35Å; S213-S644 PolarHBondContact OG-O 2.89Å; S213-E645 VanDerWaalsContact CB-OE1 3.3Å; S213-E645 WeakPolarHBondContact CB-OE1 3.49Å; S213-E645 WeakPolarHBondContact OG-CG 3.45Å; S213-E645 PolarHBondContact OG-N 2.91Å; S213-E645 PolarHBondContact OG-OE1 3.4Å
214	S	96.6	Very high	96.6	Very high	6 Å²	6	28.7 Å²	28.7	4%	0.042	14%	0.142	C	C	.	.	S	Bend	trans	-145.5	152.9	177.3	74.6	0	0	0	0	112.9	P212 M216 A217 L218 E645	P212-S214 VanDerWaalsContact C-N 3.33Å; S214-M216 PolarHBondContact O-N 3.1Å; S214-A217 PolarHBondContact O-N 2.84Å; S214-A217 VanDerWaalsContact O-N 3.12Å; S214-A217 WeakPolarHBondContact OG-CB 3.45Å; S214-A217 PolarHBondContact OG-N 2.76Å; S214-L218 PolarHBondContact O-N 3.15Å; S214-E645 WeakPolarHBondContact CB-OE1 3.36Å; S214-E645 PolarHBondContact N-OE1 3.04Å; S214-E645 VanDerWaalsContact OG-CD 3.31Å; S214-E645 PolarHBondContact OG-OE1 2.94Å; S214-E645 PolarHBondContact OG-OE2 2.82Å
215	A	96.1	Very high	96.6	Very high	49 Å²	49	28.6 Å²	28.6	41%	0.405	14%	0.142	S	C	.	.	H	α-helix	trans	-59.5	-27.8	171.9	0	0	0	0	0	112.3	K219 I608	A215-K219 VanDerWaalsContact O-CB 3.31Å; A215-K219 WeakPolarHBondContact O-CB 3.26Å; A215-K219 PolarHBondContact O-N 2.96Å; A215-I608 HydrophobicContact CB-CB 4.24Å; A215-I608 HydrophobicContact CB-CG2 4.3Å
216	M	96.1	Very high	96.8	Very high	110 Å²	110	27.6 Å²	27.6	54%	0.542	14%	0.138	S	C	.	.	H	α-helix	trans	-69.3	-46.6	173.2	179.5	178.6	54.6	0	0	111.5	S214 K219 K220	S214-M216 PolarHBondContact O-N 3.1Å; M216-K219 PolarHBondContact O-N 3.14Å; M216-K220 HydrophobicContact CG-CD 4.07Å; M216-K220 HydrophobicContact CG-CG 4.49Å; M216-K220 WeakPolarHBondContact O-CB 3.38Å; M216-K220 WeakPolarHBondContact O-CG 3.17Å; M216-K220 PolarHBondContact O-N 3.27Å; M216-K220 PolarHBondContact SD-NZ 3.13Å; M216-K220 VanDerWaalsContact SD-NZ 3.39Å
217	A	96	Very high	96.8	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-60.7	-44.7	175.9	0	0	0	0	0	111.2	P212 S214 K219 K220 A221 I647 I650	P212-A217 HydrophobicContact CB-CB 3.85Å; S214-A217 PolarHBondContact O-N 2.84Å; S214-A217 VanDerWaalsContact O-N 3.12Å; S214-A217 WeakPolarHBondContact OG-CB 3.45Å; S214-A217 PolarHBondContact OG-N 2.76Å; A217-K219 PolarHBondContact O-N 2.97Å; A217-K220 PolarHBondContact O-N 2.8Å; A217-A221 WeakPolarHBondContact O-CB 3.42Å; A217-A221 PolarHBondContact O-N 2.84Å; A217-I647 WeakPolarHBondContact O-CD1 3.43Å; A217-I650 HydrophobicContact CB-CD1 4.37Å
218	L	96.8	Very high	96.8	Very high	20 Å²	20	27.8 Å²	27.8	11%	0.105	14%	0.138	C	C	.	.	H	α-helix	trans	-58.5	-46	174	179.1	59.2	0	0	0	112.3	P212 S214 K220 A221 R222 L223 L225 I608	P212-L218 HydrophobicContact CB-CB 4.04Å; P212-L218 HydrophobicContact CG-CB 3.93Å; P212-L218 HydrophobicContact CG-CD1 4.05Å; S214-L218 PolarHBondContact O-N 3.15Å; L218-K220 VanDerWaalsContact C-N 3.32Å; L218-K220 PolarHBondContact O-N 3.14Å; L218-A221 PolarHBondContact O-N 3.14Å; L218-R222 PolarHBondContact O-N 2.89Å; L218-L223 WeakPolarHBondContact CD1-O 3.39Å; L218-L225 HydrophobicContact CD1-CB 3.83Å; L218-L225 HydrophobicContact CD2-CB 4.24Å; L218-L225 HydrophobicContact CD2-CD2 4.35Å; L218-I608 HydrophobicContact CB-CD1 4.04Å; L218-I608 HydrophobicContact CD2-CD1 4.07Å; L218-I608 HydrophobicContact CD2-CG1 4.22Å
219	K	95.5	Very high	96.8	Very high	114 Å²	114	27.8 Å²	27.8	50%	0.496	14%	0.138	S	C	.	.	H	α-helix	trans	-64.5	-33.7	177.2	-173.8	177.6	178.8	178.6	0	112.8	A215 M216 A217 R222	A215-K219 VanDerWaalsContact O-CB 3.31Å; A215-K219 WeakPolarHBondContact O-CB 3.26Å; A215-K219 PolarHBondContact O-N 2.96Å; M216-K219 PolarHBondContact O-N 3.14Å; A217-K219 PolarHBondContact O-N 2.97Å; K219-R222 WeakPolarHBondContact O-CD 3.43Å; K219-R222 PolarHBondContact O-NE 2.97Å
220	K	96.2	Very high	96.8	Very high	121 Å²	121	27.5 Å²	27.5	53%	0.526	14%	0.136	S	C	.	.	H	α-helix	trans	-74.6	-38.5	175.7	-76.5	175	178.6	173.8	0	112.5	M216 A217 L218 R222 I647 A694	M216-K220 HydrophobicContact CG-CD 4.07Å; M216-K220 HydrophobicContact CG-CG 4.49Å; M216-K220 WeakPolarHBondContact O-CB 3.38Å; M216-K220 WeakPolarHBondContact O-CG 3.17Å; M216-K220 PolarHBondContact O-N 3.27Å; M216-K220 PolarHBondContact SD-NZ 3.13Å; M216-K220 VanDerWaalsContact SD-NZ 3.39Å; A217-K220 PolarHBondContact O-N 2.8Å; L218-K220 VanDerWaalsContact C-N 3.32Å; L218-K220 PolarHBondContact O-N 3.14Å; K220-R222 VanDerWaalsContact C-N 3.3Å; K220-R222 PolarHBondContact O-N 2.97Å; K220-I647 HydrophobicContact CB-CD1 3.64Å; K220-I647 HydrophobicContact CB-CG1 4.27Å; K220-A694 VanDerWaalsContact O-CB 3.24Å; K220-A694 WeakPolarHBondContact O-CB 3.48Å
221	A	95.9	Very high	96.9	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.008	13%	0.129	C	C	.	.	H	α-helix	trans	-71.3	-21.9	179.8	0	0	0	0	0	113.5	A217 L218 L223 I647 I650 H651	A217-A221 WeakPolarHBondContact O-CB 3.42Å; A217-A221 PolarHBondContact O-N 2.84Å; L218-A221 PolarHBondContact O-N 3.14Å; A221-L223 PolarHBondContact O-N 3.47Å; A221-I647 HydrophobicContact CB-CD1 4.12Å; A221-I647 HydrophobicContact CB-CG2 4.36Å; A221-I650 HydrophobicContact CB-CG2 3.87Å; A221-H651 PolarHBondContact O-CE1 2.81Å; A221-H651 VanDerWaalsContact O-CE1 3.31Å; A221-H651 PolarHBondContact O-NE2 3.48Å
222	R	96.2	Very high	96.8	Very high	95 Å²	95	27 Å²	27	36%	0.358	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	24	176.6	-64	-67.9	-176.3	124.7	6.9	114.8	L218 K219 K220 D690 A694	L218-R222 PolarHBondContact O-N 2.89Å; K219-R222 WeakPolarHBondContact O-CD 3.43Å; K219-R222 PolarHBondContact O-NE 2.97Å; K220-R222 VanDerWaalsContact C-N 3.3Å; K220-R222 PolarHBondContact O-N 2.97Å; R222-D690 HydrophobicContact CB-CB 3.88Å; R222-D690 HydrophobicContact CG-CB 4.02Å; R222-D690 IonicContact CZ-OD1 2.68Å; R222-D690 IonicContact CZ-OD2 2.85Å; R222-D690 IonicContact NH1-OD1 3.98Å; R222-D690 PolarHBondContact NH1-OD1 3.25Å; R222-D690 IonicContact NH1-OD2 2.7Å; R222-D690 PolarHBondContact NH1-OD2 3.36Å; R222-A694 HydrophobicContact CB-CB 4.06Å; R222-A694 HydrophobicContact CG-CB 3.98Å
223	L	96.8	Very high	96.7	Very high	1 Å²	1	29 Å²	29	1%	0.005	14%	0.14	C	C	.	.			trans	-106.5	146.6	175.9	-72.6	167.8	0	0	0	110	L208 L218 A221 I650 A654 S691 L713	L208-L223 HydrophobicContact CD2-CB 4.23Å; L208-L223 HydrophobicContact CD2-CD1 3.89Å; L218-L223 WeakPolarHBondContact CD1-O 3.39Å; A221-L223 PolarHBondContact O-N 3.47Å; L223-I650 HydrophobicContact CD1-CG2 4.37Å; L223-A654 HydrophobicContact CD1-CB 4.05Å; L223-S691 WeakPolarHBondContact CD2-OG 3.39Å; L223-L713 HydrophobicContact CD1-CD1 4.09Å; L223-L713 HydrophobicContact CD2-CD1 3.95Å; L223-L713 HydrophobicContact CD2-CD2 4.12Å
224	P	96.9	Very high	96.5	Very high	5 Å²	5	31 Å²	31	3%	0.032	15%	0.15	C	C	.	.			trans	-72.2	132.8	173.8	31.9	-34.2	0	0	0	110.7	Y2 T207 V659 L662 L663	Y2-P224 HydrophobicContact CE1-CB 4.01Å; T207-P224 VanDerWaalsContact CB-O 3.22Å; T207-P224 WeakPolarHBondContact CB-O 3.2Å; T207-P224 PolarHBondContact OG1-O 2.83Å; P224-V659 HydrophobicContact CG-CG1 3.98Å; P224-V659 HydrophobicContact CG-CG2 4.4Å; P224-L662 HydrophobicContact CB-CD2 4.16Å; P224-L663 HydrophobicContact CG-CD2 4.38Å; P224-L663 HydrophobicContact CG-CG 4.33Å
225	L	98.3	Very high	96.2	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.154	C	C	.	.			trans	-98.1	120.9	171	-179.2	72.6	0	0	0	108.7	T207 L208 V211 L218 F574 L606 I608	T207-L225 WeakPolarHBondContact OG1-CA 3.44Å; L208-L225 HydrophobicContact CD1-CD1 3.92Å; V211-L225 HydrophobicContact CB-CD1 4.09Å; V211-L225 HydrophobicContact CG1-CD1 3.74Å; L218-L225 HydrophobicContact CD1-CB 3.83Å; L218-L225 HydrophobicContact CD2-CB 4.24Å; L218-L225 HydrophobicContact CD2-CD2 4.35Å; L225-F574 HydrophobicContact CD2-CD1 3.9Å; L225-F574 HydrophobicContact CD2-CE1 3.76Å; L225-L606 HydrophobicContact CD2-CB 3.92Å; L225-L606 HydrophobicContact CG-CB 3.93Å; L225-L606 HydrophobicContact CG-CD1 4.23Å; L225-L606 PolarHBondContact O-N 3.26Å; L225-I608 HydrophobicContact CD2-CD1 4.29Å; L225-I608 HydrophobicContact CD2-CG1 4.06Å
226	G	98.3	Very high	95.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.3	179	177.2	0	0	0	0	0	113.7	C206 T207 V604	C206-G226 CarbonylContact C-O 3.53Å; C206-G226 VanDerWaalsContact CA-O 3.29Å; C206-G226 WeakPolarHBondContact CA-O 3.15Å; C206-G226 PolarHBondContact SG-O 3.43Å; T207-G226 PolarHBondContact N-O 2.9Å; T207-G226 PolarHBondContact OG1-N 3.44Å; T207-G226 PolarHBondContact OG1-O 3.48Å; G226-V604 CarbonylContact C-O 3.37Å; G226-V604 WeakPolarHBondContact CA-O 3.35Å
227	L	98.3	Very high	95	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	146.3	-178.6	-50.2	169.9	0	0	0	110.2	L204 R205 C206 V229 V568 G603 V604 L606 F619	L204-L227 HydrophobicContact CD1-CB 4.13Å; L204-L227 HydrophobicContact CD1-CD1 4.32Å; L204-L227 HydrophobicContact CD1-CD2 4.48Å; R205-L227 CarbonylContact O-C 3.56Å; R205-L227 VanDerWaalsContact O-CA 3.25Å; R205-L227 WeakPolarHBondContact O-CA 3.23Å; C206-L227 HydrophobicContact CB-CD2 3.76Å; L227-V229 HydrophobicContact CB-CG2 4.04Å; L227-V568 HydrophobicContact CD1-CG1 4.15Å; L227-G603 CarbonylContact O-C 3.57Å; L227-G603 WeakPolarHBondContact O-CA 3.36Å; L227-V604 HydrophobicContact CB-CB 4.16Å; L227-V604 PolarHBondContact N-O 2.89Å; L227-V604 PolarHBondContact O-N 3.47Å; L227-L606 HydrophobicContact CD1-CD1 4.28Å; L227-L606 HydrophobicContact CD2-CD1 4.21Å; L227-L606 HydrophobicContact CG-CD1 3.91Å; L227-L606 HydrophobicContact CG-CG 4.48Å; L227-F619 HydrophobicContact CD1-CB 3.92Å; L227-F619 HydrophobicContact CD1-CD1 4.32Å; L227-F619 HydrophobicContact CD1-CG 4.18Å; L227-F619 HydrophobicContact CD2-CB 4.49Å; L227-F619 HydrophobicContact CD2-CD2 4.42Å; L227-F619 HydrophobicContact CD2-CG 4.34Å
228	I	98.2	Very high	94.8	Very high	7 Å²	7	44.4 Å²	44.4	4%	0.036	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	122	158.4	-60.6	-64.4	0	0	0	106.7	L204 R205 M602 T658 A661 L752	L204-I228 WeakPolarHBondContact CA-O 3.33Å; R205-I228 PolarHBondContact N-O 3.28Å; R205-I228 VanDerWaalsContact N-O 3.09Å; R205-I228 PolarHBondContact O-N 3.25Å; I228-M602 WeakPolarHBondContact CA-O 3.48Å; I228-T658 HydrophobicContact CB-CG2 4.23Å; I228-T658 HydrophobicContact CG1-CG2 3.65Å; I228-A661 HydrophobicContact CD1-CB 3.97Å; I228-A661 HydrophobicContact CG1-CB 4.06Å; I228-L752 HydrophobicContact CG2-CB 4.34Å
229	V	97.9	Very high	94.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	124.6	-172.7	-167	0	0	0	0	108.7	L204 L227 P231 A601 M602 V604 A621	L204-V229 HydrophobicContact CD1-CB 4.37Å; L204-V229 HydrophobicContact CD1-CG1 4.36Å; L204-V229 HydrophobicContact CD1-CG2 3.78Å; L227-V229 HydrophobicContact CB-CG2 4.04Å; V229-P231 HydrophobicContact CG1-CB 4.16Å; V229-P231 VanDerWaalsContact O-CD 3.24Å; V229-P231 WeakPolarHBondContact O-CD 3.35Å; V229-A601 CarbonylContact O-C 3.31Å; V229-A601 VanDerWaalsContact O-CA 3.32Å; V229-A601 WeakPolarHBondContact O-CA 3.24Å; V229-A601 WeakPolarHBondContact O-CB 3.31Å; V229-M602 PolarHBondContact N-O 3.12Å; V229-M602 PolarHBondContact O-N 3.1Å; V229-V604 HydrophobicContact CG2-CG2 3.74Å; V229-A621 HydrophobicContact CG1-CB 3.85Å
230	H	97	Very high	94.5	Very high	9 Å²	9	44 Å²	44	4%	0.042	20%	0.201	C	C	.	.			trans	-112.4	72.9	173.3	-166.2	177.5	0	0	0	108.8	D202 V203 Y232 K233 P598 S600 A601	D202-H230 WeakPolarHBondContact O-CB 3.44Å; V203-H230 PolarHBondContact O-N 2.98Å; H230-Y232 PolarHBondContact O-N 2.89Å; H230-K233 HydrophobicContact CB-CB 4.31Å; H230-K233 PolarHBondContact O-N 3.38Å; H230-P598 PolarHBondContact CE1-O 3.2Å; H230-P598 PolarHBondContact NE2-O 3.3Å; H230-S600 PolarHBondContact CD2-O 2.96Å; H230-A601 HydrophobicContact CB-CB 4.08Å
231	P	96.4	Very high	94.3	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-13.5	-158.1	30.7	-38.6	0	0	0	114.2	V229 L566 M602 L623 R635 H637	V229-P231 HydrophobicContact CG1-CB 4.16Å; V229-P231 VanDerWaalsContact O-CD 3.24Å; V229-P231 WeakPolarHBondContact O-CD 3.35Å; P231-L566 HydrophobicContact CB-CD1 4.11Å; P231-L566 HydrophobicContact CB-CD2 4.43Å; P231-L566 HydrophobicContact CG-CD2 4.3Å; P231-M602 HydrophobicContact CG-CE 3.98Å; P231-L623 HydrophobicContact CB-CB 4.49Å; P231-L623 HydrophobicContact CB-CD2 4.3Å; P231-R635 WeakPolarHBondContact O-CD 3.15Å; P231-H637 PolarHBondContact O-NE2 3.49Å
232	Y	96.4	Very high	93.9	Very high	12 Å²	12	42.9 Å²	42.9	5%	0.047	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.9	19	-178.6	-157.8	-115.9	0	0	0	113.7	H230 K559 V596 P598 L623 Y625 R635	H230-Y232 PolarHBondContact O-N 2.89Å; Y232-K559 HydrophobicContact CE1-CB 3.86Å; Y232-V596 HydrophobicContact CD1-CG1 4.39Å; Y232-V596 HydrophobicContact CD2-CG1 4.36Å; Y232-V596 HydrophobicContact CG-CG1 4.19Å; Y232-V596 HydrophobicContact CG-CG2 4.21Å; Y232-P598 WeakPolarHBondContact O-CA 3.12Å; Y232-P598 WeakPolarHBondContact O-CB 3.47Å; Y232-L623 HydrophobicContact CD2-CD2 3.8Å; Y232-L623 HydrophobicContact CG-CD2 4.34Å; Y232-Y625 HydrophobicContact CD2-CE1 4.38Å; Y232-Y625 HydrophobicContact CE2-CD1 4.45Å; Y232-Y625 HydrophobicContact CE2-CD2 4.15Å; Y232-Y625 AromaticContact CE2-CE1 3.9Å; Y232-Y625 HydrophobicContact CE2-CE1 3.9Å; Y232-Y625 AromaticContact CE2-CE2 3.59Å; Y232-Y625 HydrophobicContact CE2-CE2 3.59Å; Y232-Y625 AromaticContact CE2-CZ 3.46Å; Y232-Y625 VanDerWaalsContact CE2-CZ 3.46Å; Y232-Y625 AromaticContact CZ-CE2 3.99Å; Y232-R635 PolarHBondContact O-NH1 2.81Å
233	K	94.8	Very high	93.3	Very high	41 Å²	41	39.5 Å²	39.5	18%	0.178	20%	0.198	C	C	.	.			trans	-48.1	142.9	178.9	-172	-179.4	168.4	86.2	0	112.4	D202 V203 H230 L235 R635	D202-K233 HydrophobicContact CB-CD 3.71Å; D202-K233 WeakPolarHBondContact OD2-CE 3.44Å; D202-K233 IonicContact OD2-NZ 3.72Å; D202-K233 PolarHBondContact OD2-NZ 3.04Å; V203-K233 HydrophobicContact CG2-CB 4.48Å; V203-K233 HydrophobicContact CG2-CD 3.86Å; H230-K233 HydrophobicContact CB-CB 4.31Å; H230-K233 PolarHBondContact O-N 3.38Å; K233-L235 HydrophobicContact CB-CD2 4.16Å; K233-L235 HydrophobicContact CD-CD2 3.92Å; K233-L235 HydrophobicContact CG-CD2 4.06Å; K233-L235 PolarHBondContact O-N 3.06Å; K233-R635 PolarHBondContact O-NH1 2.86Å
234	D	91.7	Very high	92.4	Very high	55 Å²	55	43.4 Å²	43.4	29%	0.294	23%	0.226	S	C	.	.			trans	-67.8	112.5	166	-82	-51.3	0	0	0	110.3	R554 K559 P598	D234-R554 IonicContact OD2-CZ 2.73Å; D234-R554 IonicContact OD2-NH1 3.69Å; D234-R554 PolarHBondContact OD2-NH1 3.21Å; D234-R554 VanDerWaalsContact OD2-NH1 3.13Å; D234-R554 IonicContact OD2-NH2 3.48Å; D234-R554 PolarHBondContact OD2-NH2 2.74Å; D234-K559 IonicContact OD1-NZ 3.96Å; D234-K559 PolarHBondContact OD1-NZ 2.92Å; D234-P598 WeakPolarHBondContact OD2-CB 3.4Å
235	L	89.7	Confident	92	Very high	27 Å²	27	45.9 Å²	45.9	14%	0.141	24%	0.24	C	C	.	.			trans	-107.5	129	-179.6	-56.6	179.8	0	0	0	110.6	V203 K233 K237 L238	V203-L235 HydrophobicContact CG2-CD1 4.47Å; V203-L235 HydrophobicContact CG2-CD2 3.49Å; V203-L235 VanDerWaalsContact CG2-CD2 3.49Å; K233-L235 HydrophobicContact CB-CD2 4.16Å; K233-L235 HydrophobicContact CD-CD2 3.92Å; K233-L235 HydrophobicContact CG-CD2 4.06Å; K233-L235 PolarHBondContact O-N 3.06Å; L235-K237 PolarHBondContact O-N 3.19Å; L235-L238 HydrophobicContact CB-CB 4.15Å; L235-L238 HydrophobicContact CD1-CB 4.19Å; L235-L238 HydrophobicContact CD1-CD1 4.12Å; L235-L238 HydrophobicContact CD1-CD2 4.5Å
236	K	83.8	Confident	91.8	Very high	222 Å²	222	46.6 Å²	46.6	97%	0.965	24%	0.244	S	C	*	.	S	Bend	trans	-61.4	-27.2	174.8	-66.4	-174.6	177.9	-177.4	0	113.1
237	K	84.5	Confident	91.6	Very high	161 Å²	161	47.3 Å²	47.3	70%	0.7	25%	0.248	S	C	*	.	S	Bend	trans	-140.3	111.7	174.6	-174.6	-178.2	-179.6	-176.4	0	108.4	L235	L235-K237 PolarHBondContact O-N 3.19Å
238	L	91.3	Very high	91.5	Very high	38 Å²	38	49.4 Å²	49.4	20%	0.199	26%	0.256	C	S	.	.			trans	-130.2	123.6	170.5	172.7	59.5	0	0	0	107.1	L235 I240 E307	L235-L238 HydrophobicContact CB-CB 4.15Å; L235-L238 HydrophobicContact CD1-CB 4.19Å; L235-L238 HydrophobicContact CD1-CD1 4.12Å; L235-L238 HydrophobicContact CD1-CD2 4.5Å; L238-I240 PolarHBondContact O-N 2.91Å; L238-E307 HydrophobicContact CD1-CB 4.36Å; L238-E307 HydrophobicContact CD2-CB 4.09Å; L238-E307 HydrophobicContact CG-CB 4.28Å
239	T	92.4	Very high	91.5	Very high	31 Å²	31	49.1 Å²	49.1	19%	0.19	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	126.6	175.8	-55	0	0	0	0	109.3	L241 P299 N303 I306 E307	T239-L241 HydrophobicContact CG2-CD2 4.01Å; T239-L241 HydrophobicContact CG2-CG 4.37Å; T239-P299 HydrophobicContact CG2-CB 3.66Å; T239-P299 HydrophobicContact CG2-CG 4.43Å; T239-N303 PolarHBondContact OG1-ND2 3.41Å; T239-I306 HydrophobicContact CG2-CD1 4.17Å; T239-I306 HydrophobicContact CG2-CG1 4.33Å; T239-I306 WeakPolarHBondContact O-CG1 3.21Å; T239-E307 PolarHBondContact O-N 2.93Å
240	I	93.2	Very high	91.4	Very high	94 Å²	94	56.6 Å²	56.6	48%	0.482	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	129.6	175.4	-64.7	173.7	0	0	0	107.9	L238 E307	L238-I240 PolarHBondContact O-N 2.91Å; I240-E307 CarbonylContact C-O 3.57Å; I240-E307 VanDerWaalsContact CA-O 3.31Å; I240-E307 WeakPolarHBondContact CA-O 3.44Å; I240-E307 HydrophobicContact CG1-CB 4.34Å
241	L	91.7	Very high	91.4	Very high	8 Å²	8	60.3 Å²	60.3	4%	0.042	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135.1	178.2	-62.3	-175.3	0	0	0	111.5	T239 P287 P299 E300 I306 E307 F308 V309	T239-L241 HydrophobicContact CG2-CD2 4.01Å; T239-L241 HydrophobicContact CG2-CG 4.37Å; L241-P287 HydrophobicContact CD2-CG 4Å; L241-P299 HydrophobicContact CD1-CB 4.4Å; L241-P299 HydrophobicContact CD2-CB 4.08Å; L241-P299 HydrophobicContact CD2-CG 3.95Å; L241-E300 HydrophobicContact CD1-CB 4.34Å; L241-E300 WeakPolarHBondContact CD1-OE2 3.47Å; L241-I306 HydrophobicContact CD1-CD1 3.42Å; L241-I306 VanDerWaalsContact CD1-CD1 3.42Å; L241-I306 HydrophobicContact CD1-CG1 4.27Å; L241-I306 HydrophobicContact CG-CD1 3.81Å; L241-I306 HydrophobicContact CG-CG1 4.27Å; L241-E307 PolarHBondContact N-O 2.98Å; L241-F308 HydrophobicContact CB-CD1 4.06Å; L241-F308 HydrophobicContact CB-CE1 4.45Å; L241-F308 HydrophobicContact CD1-CD1 4.31Å; L241-F308 HydrophobicContact CD1-CE1 3.86Å; L241-F308 CarbonylContact O-C 3.55Å; L241-F308 WeakPolarHBondContact O-CA 3.32Å; L241-V309 PolarHBondContact O-N 3.18Å
242	S	88.2	Confident	91.4	Very high	91 Å²	91	62 Å²	62	64%	0.636	32%	0.318	S	S	*	.			trans	-106.4	122.7	160.8	-168.2	0	0	0	0	108.1
243	T	83	Confident	91.4	Very high	24 Å²	24	64.3 Å²	64.3	15%	0.147	33%	0.327	C	S	.	.			trans	-147.7	139.1	-177.3	173.3	0	0	0	0	109.7	V245 I246 F308	T243-V245 VanDerWaalsContact C-N 3.26Å; T243-V245 PolarHBondContact O-N 3.2Å; T243-V245 PolarHBondContact OG1-N 2.66Å; T243-V245 PolarHBondContact OG1-O 3.4Å; T243-I246 HydrophobicContact CG2-CG1 4.04Å; T243-F308 HydrophobicContact CG2-CD1 4.02Å; T243-F308 HydrophobicContact CG2-CE1 4.49Å
244	S	79.4	Confident	91.5	Very high	84 Å²	84	62.4 Å²	62.4	59%	0.587	32%	0.318	S	S	*	.	S	Bend	trans	-56.9	-41.2	173.5	45.7	0	0	0	0	111.7	D282	S244-D282 PolarHBondContact OG-OD2 3.46Å
245	V	87.1	Confident	91.8	Very high	57 Å²	57	60.3 Å²	60.3	35%	0.345	31%	0.306	S	S	.	.			trans	-122.4	122.8	-173.2	-177.2	0	0	0	0	110	T243 V247 P280	T243-V245 VanDerWaalsContact C-N 3.26Å; T243-V245 PolarHBondContact O-N 3.2Å; T243-V245 PolarHBondContact OG1-N 2.66Å; T243-V245 PolarHBondContact OG1-O 3.4Å; V245-V247 HydrophobicContact CG1-CG2 4.48Å; V245-P280 HydrophobicContact CG1-CB 4.5Å; V245-P280 HydrophobicContact CG1-CG 4.03Å
246	I	93.7	Very high	92.1	Very high	15 Å²	15	59.2 Å²	59.2	8%	0.077	30%	0.301	C	S	.	.			trans	-97.7	106.7	171.1	-59.8	180	0	0	0	108.8	T243 R248 Y255 F308 P311 Y314 I634	T243-I246 HydrophobicContact CG2-CG1 4.04Å; I246-R248 HydrophobicContact CG2-CG 4.5Å; I246-R248 PolarHBondContact O-N 3.43Å; I246-Y255 HydrophobicContact CG2-CD1 3.56Å; I246-Y255 HydrophobicContact CG2-CE1 3.74Å; I246-F308 HydrophobicContact CD1-CB 3.71Å; I246-F308 HydrophobicContact CD1-CD1 4.36Å; I246-F308 HydrophobicContact CD1-CG 4.03Å; I246-F308 HydrophobicContact CG1-CB 4.47Å; I246-F308 HydrophobicContact CG1-CD1 4.25Å; I246-F308 HydrophobicContact CG1-CG 4.41Å; I246-P311 HydrophobicContact CD1-CG 4.42Å; I246-P311 HydrophobicContact CG1-CG 4.49Å; I246-Y314 HydrophobicContact CD1-CE2 4.21Å; I246-I634 HydrophobicContact CD1-CD1 3.71Å
247	V	95.1	Very high	92.7	Very high	14 Å²	14	48.8 Å²	48.8	9%	0.085	26%	0.255	C	S	.	.			trans	-69.8	123.3	-176	-178.7	0	0	0	0	111.2	V245 I256 W268 P280 F283	V245-V247 HydrophobicContact CG1-CG2 4.48Å; V247-I256 HydrophobicContact CB-CB 4.25Å; V247-I256 HydrophobicContact CB-CG2 4.01Å; V247-I256 HydrophobicContact CG1-CB 4.18Å; V247-I256 HydrophobicContact CG1-CD1 3.93Å; V247-I256 HydrophobicContact CG1-CG2 4.45Å; V247-I256 PolarHBondContact O-N 3.38Å; V247-W268 HydrophobicContact CG1-CZ2 3.83Å; V247-P280 HydrophobicContact CG2-CG 3.99Å; V247-F283 HydrophobicContact CB-CD2 4.29Å; V247-F283 HydrophobicContact CB-CE2 4.14Å; V247-F283 HydrophobicContact CG2-CD2 3.41Å; V247-F283 VanDerWaalsContact CG2-CD2 3.41Å; V247-F283 HydrophobicContact CG2-CE2 3.75Å; V247-F283 HydrophobicContact CG2-CG 4.16Å
248	R	96.5	Very high	93.2	Very high	47 Å²	47	41.8 Å²	41.8	18%	0.177	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-132.8	152.5	177.5	-62.6	-172.9	-68.7	-173	-6.6	111.4	I246 R250 V254 Y255 E313 Y314	I246-R248 HydrophobicContact CG2-CG 4.5Å; I246-R248 PolarHBondContact O-N 3.43Å; R248-R250 PolarHBondContact O-N 3.24Å; R248-V254 CarbonylContact C-O 3.39Å; R248-V254 WeakPolarHBondContact CA-O 3.33Å; R248-V254 WeakPolarHBondContact CB-O 3.23Å; R248-Y255 HydrophobicContact CG-CD1 3.76Å; R248-Y255 HydrophobicContact CG-CE1 4.03Å; R248-Y255 HydrophobicContact CG-CG 4.29Å; R248-E313 IonicContact NH2-OE1 3.3Å; R248-Y314 PolarHBondContact NE-OH 2.69Å; R248-Y314 PolarHBondContact NH1-OH 3.09Å; R248-Y314 PolarHBondContact NH2-OH 3.13Å; R248-Y314 VanDerWaalsContact NH2-OH 3.12Å
249	C	97.7	Very high	93.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.219	C	C	.	.			trans	-64.4	135	173.8	178.8	0	0	0	0	110.3	T251 R253 V254 W268 C270 N277	C249-T251 PolarHBondContact O-N 3.02Å; C249-R253 WeakPolarHBondContact O-CA 3.13Å; C249-R253 WeakPolarHBondContact O-CD 3.11Å; C249-R253 PolarHBondContact O-N 3.38Å; C249-R253 VanDerWaalsContact O-N 3.1Å; C249-V254 HydrophobicContact CB-CG1 3.82Å; C249-V254 PolarHBondContact N-O 3.19Å; C249-W268 HydrophobicContact CB-CH2 3.72Å; C249-W268 HydrophobicContact CB-CZ2 4.32Å; C249-W268 HydrophobicContact CB-CZ3 4.44Å; C249-C270 HydrophobicContact CB-CB 4.1Å; C249-N277 PolarHBondContact SG-OD1 3.32Å; C249-N277 VanDerWaalsContact SG-OD1 3.42Å
250	R	96.8	Very high	93.5	Very high	157 Å²	157	39.6 Å²	39.6	59%	0.592	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-25.8	-177.7	-60.5	-177.8	-172.4	173.2	5.8	112.9	R248 R253 N277	R248-R250 PolarHBondContact O-N 3.24Å; R250-R253 PolarHBondContact O-NE 3.35Å; R250-N277 PolarHBondContact N-OD1 3.06Å
251	T	96.6	Very high	93.4	Very high	87 Å²	87	41 Å²	41	53%	0.534	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-77.4	179.1	-53.3	0	0	0	0	112	C249 R253	C249-T251 PolarHBondContact O-N 3.02Å; T251-R253 VanDerWaalsContact C-N 3.29Å; T251-R253 PolarHBondContact O-N 3.31Å
252	C	95.9	Very high	93.4	Very high	38 Å²	38	42.5 Å²	42.5	26%	0.257	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-2.8	-173.7	62.4	0	0	0	0	115.1	V254 C270 C273 R569	C252-V254 PolarHBondContact O-N 3.11Å; C252-V254 VanDerWaalsContact O-N 3.09Å; C252-C270 PolarHBondContact SG-SG 3.09Å; C252-C273 HydrophobicContact CB-CB 4.09Å; C252-R569 PolarHBondContact O-NE 3.03Å
253	R	96.3	Very high	93.6	Very high	60 Å²	60	40.7 Å²	40.7	23%	0.226	21%	0.206	C	C	.	.			trans	57.4	20.7	-179.4	-48.4	-57	-169.9	150.8	6.9	115	C249 R250 T251 R569	C249-R253 WeakPolarHBondContact O-CA 3.13Å; C249-R253 WeakPolarHBondContact O-CD 3.11Å; C249-R253 PolarHBondContact O-N 3.38Å; C249-R253 VanDerWaalsContact O-N 3.1Å; R250-R253 PolarHBondContact O-NE 3.35Å; T251-R253 VanDerWaalsContact C-N 3.29Å; T251-R253 PolarHBondContact O-N 3.31Å; R253-R569 VanDerWaalsContact O-CZ 3.23Å; R253-R569 PolarHBondContact O-NE 3.12Å; R253-R569 PolarHBondContact O-NH2 3.45Å; R253-R569 VanDerWaalsContact O-NH2 3.13Å
254	V	97.5	Very high	94	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-62.5	142.5	170.1	76.7	0	0	0	0	110.1	R248 C249 C252 C270 L272 Q620	R248-V254 CarbonylContact C-O 3.39Å; R248-V254 WeakPolarHBondContact CA-O 3.33Å; R248-V254 WeakPolarHBondContact CB-O 3.23Å; C249-V254 HydrophobicContact CB-CG1 3.82Å; C249-V254 PolarHBondContact N-O 3.19Å; C252-V254 PolarHBondContact O-N 3.11Å; C252-V254 VanDerWaalsContact O-N 3.09Å; V254-C270 WeakPolarHBondContact CG1-SG 3.19Å; V254-L272 HydrophobicContact CB-CD2 4.04Å; V254-L272 HydrophobicContact CG2-CD1 3.92Å; V254-L272 HydrophobicContact CG2-CD2 3.61Å; V254-L272 HydrophobicContact CG2-CG 4.32Å; V254-Q620 HydrophobicContact CG2-CB 4.13Å; V254-Q620 HydrophobicContact CG2-CG 4.37Å
255	Y	97.5	Very high	94.3	Very high	12 Å²	12	46 Å²	46	5%	0.047	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-71.4	142.1	170.6	-62.2	-89.5	0	0	0	109.6	I246 R248 N257 Q620 A622 I634 V636	I246-Y255 HydrophobicContact CG2-CD1 3.56Å; I246-Y255 HydrophobicContact CG2-CE1 3.74Å; R248-Y255 HydrophobicContact CG-CD1 3.76Å; R248-Y255 HydrophobicContact CG-CE1 4.03Å; R248-Y255 HydrophobicContact CG-CG 4.29Å; Y255-N257 PolarHBondContact O-ND2 3.46Å; Y255-Q620 PolarHBondContact O-NE2 3.37Å; Y255-A622 HydrophobicContact CD2-CB 3.88Å; Y255-A622 HydrophobicContact CE2-CB 3.5Å; Y255-A622 VanDerWaalsContact CE2-CB 3.5Å; Y255-I634 HydrophobicContact CE1-CD1 4.32Å; Y255-I634 HydrophobicContact CE1-CG2 4Å; Y255-I634 HydrophobicContact CE2-CG2 4.27Å; Y255-V636 HydrophobicContact CD1-CG2 4.36Å; Y255-V636 HydrophobicContact CD2-CG1 4.45Å; Y255-V636 HydrophobicContact CD2-CG2 3.89Å; Y255-V636 HydrophobicContact CE2-CG2 4.35Å; Y255-V636 HydrophobicContact CG-CG2 3.91Å
256	I	96.7	Very high	94.5	Very high	4 Å²	4	49 Å²	49	2%	0.021	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-57.9	142.8	172.7	-155.1	166.7	0	0	0	109.5	V247 V260 W268 L279 F283 E300 I301	V247-I256 HydrophobicContact CB-CB 4.25Å; V247-I256 HydrophobicContact CB-CG2 4.01Å; V247-I256 HydrophobicContact CG1-CB 4.18Å; V247-I256 HydrophobicContact CG1-CD1 3.93Å; V247-I256 HydrophobicContact CG1-CG2 4.45Å; V247-I256 PolarHBondContact O-N 3.38Å; I256-V260 HydrophobicContact CD1-CG2 4.45Å; I256-V260 HydrophobicContact CG1-CG1 4.09Å; I256-V260 HydrophobicContact CG1-CG2 4.07Å; I256-W268 HydrophobicContact CB-CH2 4.41Å; I256-W268 HydrophobicContact CD1-CD2 3.86Å; I256-W268 HydrophobicContact CD1-CE3 4.29Å; I256-W268 HydrophobicContact CD1-CG 4.04Å; I256-W268 HydrophobicContact CD1-CZ2 4.43Å; I256-W268 HydrophobicContact CG1-CD2 4.25Å; I256-W268 HydrophobicContact CG1-CE3 4.18Å; I256-W268 HydrophobicContact CG1-CH2 4.37Å; I256-W268 HydrophobicContact CG1-CZ2 4.49Å; I256-W268 HydrophobicContact CG1-CZ3 4.24Å; I256-L279 HydrophobicContact CD1-CD2 4.07Å; I256-F283 HydrophobicContact CD1-CE1 3.99Å; I256-F283 HydrophobicContact CD1-CE2 4.43Å; I256-F283 HydrophobicContact CD1-CZ 3.69Å; I256-F283 HydrophobicContact CG2-CE2 4.04Å; I256-F283 HydrophobicContact CG2-CZ 3.95Å; I256-E300 HydrophobicContact CG2-CB 4.39Å; I256-E300 HydrophobicContact CG2-CG 3.85Å; I256-I301 HydrophobicContact CD1-CD1 4Å; I256-I301 HydrophobicContact CG1-CD1 3.79Å
257	N	95.6	Very high	94.5	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.011	24%	0.24	C	C	.	.			trans	-156	167.8	-165.1	66	87.7	0	0	0	110.2	Y255 Y259 V260 N271 E300 T638	Y255-N257 PolarHBondContact O-ND2 3.46Å; N257-Y259 PolarHBondContact O-N 3.11Å; N257-Y259 PolarHBondContact OD1-N 3.47Å; N257-V260 WeakPolarHBondContact O-CG1 3.15Å; N257-V260 WeakPolarHBondContact O-CG2 3.3Å; N257-V260 PolarHBondContact O-N 3.14Å; N257-N271 PolarHBondContact ND2-OD1 3.49Å; N257-N271 PolarHBondContact OD1-ND2 2.76Å; N257-E300 CarbonylContact C-O 3.53Å; N257-E300 WeakPolarHBondContact CA-O 3.21Å; N257-T638 HydrophobicContact CB-CG2 4.15Å
258	P	94.9	Very high	94.6	Very high	14 Å²	14	50.1 Å²	50.1	9%	0.091	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-19.2	-173.7	-28.9	37.2	0	0	0	117.2	I197 E300 I301 N303	I197-P258 HydrophobicContact CB-CB 4.42Å; I197-P258 HydrophobicContact CD1-CB 3.82Å; I197-P258 HydrophobicContact CG1-CB 4.06Å; I197-P258 HydrophobicContact CG2-CB 3.46Å; I197-P258 VanDerWaalsContact CG2-CB 3.46Å; I197-P258 HydrophobicContact CG2-CG 3.99Å; P258-E300 WeakPolarHBondContact CD-O 3.29Å; P258-I301 WeakPolarHBondContact CA-O 3.42Å; P258-I301 WeakPolarHBondContact CB-O 3.39Å; P258-I301 WeakPolarHBondContact CG-O 3.48Å; P258-N303 VanDerWaalsContact CG-C 3.48Å; P258-N303 WeakPolarHBondContact CG-O 3.4Å
259	Y	94.7	Very high	94.5	Very high	11 Å²	11	53.6 Å²	53.6	4%	0.043	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	9.5	-173.8	-46.9	-76.1	0	0	0	113.4	L188 Y192 I197 N257 N271 T638 C640	L188-Y259 HydrophobicContact CD1-CE1 4.09Å; Y192-Y259 HydrophobicContact CD1-CD1 4.42Å; Y192-Y259 WeakPolarHBondContact CE1-O 3.48Å; I197-Y259 HydrophobicContact CG2-CE1 3.72Å; I197-Y259 HydrophobicContact CG2-CE2 4.49Å; N257-Y259 PolarHBondContact O-N 3.11Å; N257-Y259 PolarHBondContact OD1-N 3.47Å; Y259-N271 VanDerWaalsContact O-CB 3.3Å; Y259-N271 WeakPolarHBondContact O-CB 3.38Å; Y259-T638 HydrophobicContact CD2-CG2 3.82Å; Y259-T638 HydrophobicContact CE2-CG2 3.97Å; Y259-C640 HydrophobicContact CD1-CB 3.48Å; Y259-C640 VanDerWaalsContact CD1-CB 3.48Å; Y259-C640 HydrophobicContact CD2-CB 3.77Å; Y259-C640 HydrophobicContact CE1-CB 3.44Å; Y259-C640 VanDerWaalsContact CE1-CB 3.44Å; Y259-C640 HydrophobicContact CE2-CB 3.73Å; Y259-C640 HydrophobicContact CG-CB 3.63Å
260	V	94.6	Very high	94.5	Very high	13 Å²	13	53.8 Å²	53.8	8%	0.079	25%	0.25	C	S	.	.			trans	-70.8	153.6	172.1	-58.2	0	0	0	0	111.1	I256 N257 F262 W268 I301	I256-V260 HydrophobicContact CD1-CG2 4.45Å; I256-V260 HydrophobicContact CG1-CG1 4.09Å; I256-V260 HydrophobicContact CG1-CG2 4.07Å; N257-V260 WeakPolarHBondContact O-CG1 3.15Å; N257-V260 WeakPolarHBondContact O-CG2 3.3Å; N257-V260 PolarHBondContact O-N 3.14Å; V260-F262 HydrophobicContact CG2-CD2 4.38Å; V260-F262 HydrophobicContact CG2-CE2 3.69Å; V260-F262 HydrophobicContact CG2-CZ 3.86Å; V260-W268 HydrophobicContact CB-CE3 3.92Å; V260-W268 HydrophobicContact CB-CZ3 4.48Å; V260-W268 HydrophobicContact CG1-CE3 3.58Å; V260-W268 HydrophobicContact CG1-CZ3 3.64Å; V260-W268 HydrophobicContact CG2-CE3 4.48Å; V260-I301 HydrophobicContact CG2-CD1 4.06Å
261	Y	92.1	Very high	94.3	Very high	122 Å²	122	47.6 Å²	47.6	48%	0.478	23%	0.229	S	C	.	.	B	Isolated β-bridge	trans	-106.4	132.3	175.7	173.2	-95.8	0	0	0	110.2	P263 W268 R269	Y261-P263 HydrophobicContact CD1-CB 4.47Å; Y261-P263 HydrophobicContact CD1-CG 3.91Å; Y261-P263 HydrophobicContact CE1-CB 3.89Å; Y261-P263 HydrophobicContact CE1-CG 3.83Å; Y261-P263 WeakPolarHBondContact O-CD 3.24Å; Y261-W268 CarbonylContact O-C 3.55Å; Y261-W268 WeakPolarHBondContact O-CA 3.43Å; Y261-R269 HydrophobicContact CD1-CB 4.22Å; Y261-R269 PolarHBondContact N-O 3.34Å; Y261-R269 PolarHBondContact O-N 2.84Å
262	F	92.4	Very high	94.2	Very high	41 Å²	41	43.8 Å²	43.8	18%	0.18	21%	0.205	C	C	.	.			trans	-99.1	107.6	174.6	-65	-88.8	0	0	0	109.1	V260 D264 W268 L279 P295 T296 I301	V260-F262 HydrophobicContact CG2-CD2 4.38Å; V260-F262 HydrophobicContact CG2-CE2 3.69Å; V260-F262 HydrophobicContact CG2-CZ 3.86Å; F262-D264 VanDerWaalsContact C-N 3.27Å; F262-W268 HydrophobicContact CD1-CB 4Å; F262-W268 HydrophobicContact CE1-CB 3.99Å; F262-L279 HydrophobicContact CD1-CD1 4.14Å; F262-L279 HydrophobicContact CE1-CD1 3.89Å; F262-L279 HydrophobicContact CE1-CD2 4.31Å; F262-P295 HydrophobicContact CE1-CB 3.96Å; F262-P295 HydrophobicContact CZ-CB 4.27Å; F262-T296 HydrophobicContact CD2-CG2 4.09Å; F262-T296 HydrophobicContact CE2-CG2 4.14Å; F262-I301 HydrophobicContact CE2-CD1 4.27Å; F262-I301 HydrophobicContact CE2-CG2 4.16Å; F262-I301 HydrophobicContact CZ-CD1 3.84Å; F262-I301 HydrophobicContact CZ-CG1 4.15Å
263	P	91.3	Very high	94.2	Very high	53 Å²	53	44.1 Å²	44.1	34%	0.344	21%	0.208	S	C	.	.	S	Bend	trans	-69.8	-28.3	176	-15.3	31.2	0	0	0	112.8	Y261 H267	Y261-P263 HydrophobicContact CD1-CB 4.47Å; Y261-P263 HydrophobicContact CD1-CG 3.91Å; Y261-P263 HydrophobicContact CE1-CB 3.89Å; Y261-P263 HydrophobicContact CE1-CG 3.83Å; Y261-P263 WeakPolarHBondContact O-CD 3.24Å; P263-H267 WeakPolarHBondContact CD-O 3.49Å
264	D	90.8	Very high	94	Very high	74 Å²	74	43.2 Å²	43.2	40%	0.396	22%	0.217	S	C	.	.	S	Bend	trans	-155.3	-177.3	178.7	59.8	62.9	0	0	0	108.1	F262 Q266 H267	F262-D264 VanDerWaalsContact C-N 3.27Å; D264-Q266 VanDerWaalsContact C-N 3.32Å; D264-Q266 PolarHBondContact O-N 3.34Å; D264-Q266 WeakPolarHBondContact OD1-CA 3.46Å; D264-Q266 WeakPolarHBondContact OD1-CB 3.48Å; D264-Q266 PolarHBondContact OD1-N 2.98Å; D264-H267 VanDerWaalsContact CG-ND1 3.35Å; D264-H267 IonicContact OD1-CG 3.61Å; D264-H267 PolarHBondContact OD1-N 3.16Å; D264-H267 IonicContact OD1-ND1 2.97Å; D264-H267 PolarHBondContact OD1-ND1 2.95Å; D264-H267 IonicContact OD2-CG 3.65Å; D264-H267 IonicContact OD2-ND1 2.94Å; D264-H267 PolarHBondContact OD2-ND1 3.31Å
265	Q	86.2	Confident	93.9	Very high	145 Å²	145	50.2 Å²	50.2	68%	0.678	24%	0.243	S	C	*	.	S	Bend	trans	-73.5	-18.5	-178.7	-69.3	-177	-7.8	0	0	114.5	L279 Y284	Q265-L279 WeakPolarHBondContact O-CD1 3.37Å; Q265-Y284 WeakPolarHBondContact O-CE1 3.41Å; Q265-Y284 PolarHBondContact O-OH 2.87Å; Q265-Y284 VanDerWaalsContact O-OH 3.1Å
266	Q	91	Very high	93.9	Very high	119 Å²	119	52.3 Å²	52.3	56%	0.556	26%	0.257	S	S	*	.	S	Bend	trans	-100.1	-15.9	-175.4	-61.9	-174	-17	0	0	113.7	D264 T278 L279 Y284	D264-Q266 VanDerWaalsContact C-N 3.32Å; D264-Q266 PolarHBondContact O-N 3.34Å; D264-Q266 WeakPolarHBondContact OD1-CA 3.46Å; D264-Q266 WeakPolarHBondContact OD1-CB 3.48Å; D264-Q266 PolarHBondContact OD1-N 2.98Å; Q266-T278 CarbonylContact O-C 3.46Å; Q266-T278 WeakPolarHBondContact O-CA 3.33Å; Q266-L279 PolarHBondContact O-N 3.24Å; Q266-Y284 WeakPolarHBondContact CA-OH 3.5Å
267	H	95.3	Very high	94	Very high	52 Å²	52	52.2 Å²	52.2	24%	0.241	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	151.1	-173.8	-61.5	95.2	0	0	0	113	P263 D264 V276 N277	P263-H267 WeakPolarHBondContact CD-O 3.49Å; D264-H267 VanDerWaalsContact CG-ND1 3.35Å; D264-H267 IonicContact OD1-CG 3.61Å; D264-H267 PolarHBondContact OD1-N 3.16Å; D264-H267 IonicContact OD1-ND1 2.97Å; D264-H267 PolarHBondContact OD1-ND1 2.95Å; D264-H267 IonicContact OD2-CG 3.65Å; D264-H267 IonicContact OD2-ND1 2.94Å; D264-H267 PolarHBondContact OD2-ND1 3.31Å; H267-V276 HydrophobicContact CB-CG1 3.84Å; H267-N277 WeakPolarHBondContact CA-O 3.45Å
268	W	95.5	Very high	94	Very high	1 Å²	1	55 Å²	55	0%	0.004	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	136.6	169.5	69	-77.2	0	0	0	111.3	V247 C249 I256 V260 Y261 F262 C270 V276 N277 L279	V247-W268 HydrophobicContact CG1-CZ2 3.83Å; C249-W268 HydrophobicContact CB-CH2 3.72Å; C249-W268 HydrophobicContact CB-CZ2 4.32Å; C249-W268 HydrophobicContact CB-CZ3 4.44Å; I256-W268 HydrophobicContact CB-CH2 4.41Å; I256-W268 HydrophobicContact CD1-CD2 3.86Å; I256-W268 HydrophobicContact CD1-CE3 4.29Å; I256-W268 HydrophobicContact CD1-CG 4.04Å; I256-W268 HydrophobicContact CD1-CZ2 4.43Å; I256-W268 HydrophobicContact CG1-CD2 4.25Å; I256-W268 HydrophobicContact CG1-CE3 4.18Å; I256-W268 HydrophobicContact CG1-CH2 4.37Å; I256-W268 HydrophobicContact CG1-CZ2 4.49Å; I256-W268 HydrophobicContact CG1-CZ3 4.24Å; V260-W268 HydrophobicContact CB-CE3 3.92Å; V260-W268 HydrophobicContact CB-CZ3 4.48Å; V260-W268 HydrophobicContact CG1-CE3 3.58Å; V260-W268 HydrophobicContact CG1-CZ3 3.64Å; V260-W268 HydrophobicContact CG2-CE3 4.48Å; Y261-W268 CarbonylContact O-C 3.55Å; Y261-W268 WeakPolarHBondContact O-CA 3.43Å; F262-W268 HydrophobicContact CD1-CB 4Å; F262-W268 HydrophobicContact CE1-CB 3.99Å; W268-C270 HydrophobicContact CE3-CB 4.49Å; W268-C270 HydrophobicContact CZ3-CB 3.98Å; W268-V276 CarbonylContact O-C 3.59Å; W268-V276 WeakPolarHBondContact O-CA 3.34Å; W268-N277 HydrophobicContact CD2-CB 4.44Å; W268-N277 HydrophobicContact CZ2-CB 4.28Å; W268-N277 PolarHBondContact N-O 3.49Å; W268-N277 PolarHBondContact O-N 3.1Å; W268-N277 PolarHBondContact O-ND2 3.35Å; W268-L279 HydrophobicContact CB-CD2 4.37Å; W268-L279 HydrophobicContact CG-CD2 4Å
269	R	95.7	Very high	94	Very high	121 Å²	121	54.9 Å²	54.9	46%	0.457	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	122.3	174	-171.9	-178.5	-68.3	-132.3	1.3	109.1	Y261 N271 G274 V276	Y261-R269 HydrophobicContact CD1-CB 4.22Å; Y261-R269 PolarHBondContact N-O 3.34Å; Y261-R269 PolarHBondContact O-N 2.84Å; R269-N271 PolarHBondContact O-N 3.26Å; R269-G274 VanDerWaalsContact CG-O 3.32Å; R269-G274 WeakPolarHBondContact CG-O 3.41Å; R269-V276 HydrophobicContact CB-CG2 4.29Å; R269-V276 HydrophobicContact CG-CG2 4.27Å
270	C	96.4	Very high	93.9	Very high	3 Å²	3	56.6 Å²	56.6	2%	0.02	29%	0.285	C	S	.	.			trans	-64.8	127.3	176.2	174.7	0	0	0	0	111.3	C249 C252 V254 W268 L272 G274 R275	C249-C270 HydrophobicContact CB-CB 4.1Å; C252-C270 PolarHBondContact SG-SG 3.09Å; V254-C270 WeakPolarHBondContact CG1-SG 3.19Å; W268-C270 HydrophobicContact CE3-CB 4.49Å; W268-C270 HydrophobicContact CZ3-CB 3.98Å; C270-L272 VanDerWaalsContact C-N 3.31Å; C270-L272 PolarHBondContact O-N 3.1Å; C270-L272 PolarHBondContact SG-N 3.3Å; C270-L272 VanDerWaalsContact SG-N 3.43Å; C270-G274 VanDerWaalsContact O-CA 3.25Å; C270-G274 WeakPolarHBondContact O-CA 3.36Å; C270-G274 PolarHBondContact O-N 2.98Å; C270-R275 WeakPolarHBondContact CB-O 3.33Å; C270-R275 PolarHBondContact N-O 3.42Å
271	N	93.9	Very high	93.6	Very high	27 Å²	27	63.7 Å²	63.7	14%	0.144	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-14.8	178.6	56.9	-43.8	0	0	0	114.7	N257 Y259 R269 S571 C618	N257-N271 PolarHBondContact ND2-OD1 3.49Å; N257-N271 PolarHBondContact OD1-ND2 2.76Å; Y259-N271 VanDerWaalsContact O-CB 3.3Å; Y259-N271 WeakPolarHBondContact O-CB 3.38Å; R269-N271 PolarHBondContact O-N 3.26Å; N271-S571 PolarHBondContact O-OG 3.26Å; N271-C618 WeakPolarHBondContact ND2-CB 3.28Å; N271-C618 PolarHBondContact ND2-SG 3.35Å
272	L	94.8	Very high	93.4	Very high	7 Å²	7	61.8 Å²	61.8	4%	0.037	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-44	176.9	-82.6	66.9	0	0	0	112.4	V254 C270 R569 C570 S571 A572 C618	V254-L272 HydrophobicContact CB-CD2 4.04Å; V254-L272 HydrophobicContact CG2-CD1 3.92Å; V254-L272 HydrophobicContact CG2-CD2 3.61Å; V254-L272 HydrophobicContact CG2-CG 4.32Å; C270-L272 VanDerWaalsContact C-N 3.31Å; C270-L272 PolarHBondContact O-N 3.1Å; C270-L272 PolarHBondContact SG-N 3.3Å; C270-L272 VanDerWaalsContact SG-N 3.43Å; L272-R569 HydrophobicContact CD2-CB 3.67Å; L272-C570 WeakPolarHBondContact CD2-O 3.3Å; L272-S571 CarbonylContact O-C 3.6Å; L272-S571 WeakPolarHBondContact O-CA 3.41Å; L272-A572 PolarHBondContact O-N 3.2Å; L272-C618 HydrophobicContact CD1-CB 3.65Å; L272-C618 HydrophobicContact CG-CB 4.41Å
273	C	94.3	Very high	93.3	Very high	46 Å²	46	60 Å²	60	31%	0.311	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.1	11.1	-171.8	80.3	0	0	0	0	114.8	C252 R275	C252-C273 HydrophobicContact CB-CB 4.09Å; C273-R275 PolarHBondContact O-N 3.08Å
274	G	93.2	Very high	93.2	Very high	40 Å²	40	60.2 Å²	60.2	41%	0.412	30%	0.302	S	S	.	.			trans	67.2	-6.4	176.4	0	0	0	0	0	116.6	R269 C270 V276	R269-G274 VanDerWaalsContact CG-O 3.32Å; R269-G274 WeakPolarHBondContact CG-O 3.41Å; C270-G274 VanDerWaalsContact O-CA 3.25Å; C270-G274 WeakPolarHBondContact O-CA 3.36Å; C270-G274 PolarHBondContact O-N 2.98Å; G274-V276 PolarHBondContact O-N 2.92Å
275	R	95.7	Very high	92.9	Very high	147 Å²	147	60.6 Å²	60.6	56%	0.555	30%	0.298	S	S	*	.			trans	-64.9	129.3	-177.7	-176.9	69.8	-168.5	-156.8	2	110.9	C270 C273 N277	C270-R275 WeakPolarHBondContact CB-O 3.33Å; C270-R275 PolarHBondContact N-O 3.42Å; C273-R275 PolarHBondContact O-N 3.08Å; R275-N277 PolarHBondContact O-ND2 2.96Å
276	V	97.2	Very high	92.9	Very high	56 Å²	56	54.1 Å²	54.1	34%	0.339	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	134.2	167	-174.1	0	0	0	0	109.5	H267 W268 R269 G274	H267-V276 HydrophobicContact CB-CG1 3.84Å; W268-V276 CarbonylContact O-C 3.59Å; W268-V276 WeakPolarHBondContact O-CA 3.34Å; R269-V276 HydrophobicContact CB-CG2 4.29Å; R269-V276 HydrophobicContact CG-CG2 4.27Å; G274-V276 PolarHBondContact O-N 2.92Å
277	N	97.7	Very high	92.5	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.016	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	143.9	-178.7	-44.4	-99.6	0	0	0	108.5	C249 R250 H267 W268 R275	C249-N277 PolarHBondContact SG-OD1 3.32Å; C249-N277 VanDerWaalsContact SG-OD1 3.42Å; R250-N277 PolarHBondContact N-OD1 3.06Å; H267-N277 WeakPolarHBondContact CA-O 3.45Å; W268-N277 HydrophobicContact CD2-CB 4.44Å; W268-N277 HydrophobicContact CZ2-CB 4.28Å; W268-N277 PolarHBondContact N-O 3.49Å; W268-N277 PolarHBondContact O-N 3.1Å; W268-N277 PolarHBondContact O-ND2 3.35Å; R275-N277 PolarHBondContact O-ND2 2.96Å
278	T	96.9	Very high	91.7	Very high	61 Å²	61	51.2 Å²	51.2	37%	0.374	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	139.8	170.5	-35.7	0	0	0	0	110.3	Q266	Q266-T278 CarbonylContact O-C 3.46Å; Q266-T278 WeakPolarHBondContact O-CA 3.33Å
279	L	94.3	Very high	91.2	Very high	11 Å²	11	54.9 Å²	54.9	6%	0.058	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-76.7	138.9	170.4	-66.5	170	0	0	0	110.5	I256 F262 Q265 Q266 W268 F283 P295	I256-L279 HydrophobicContact CD1-CD2 4.07Å; F262-L279 HydrophobicContact CD1-CD1 4.14Å; F262-L279 HydrophobicContact CE1-CD1 3.89Å; F262-L279 HydrophobicContact CE1-CD2 4.31Å; Q265-L279 WeakPolarHBondContact O-CD1 3.37Å; Q266-L279 PolarHBondContact O-N 3.24Å; W268-L279 HydrophobicContact CB-CD2 4.37Å; W268-L279 HydrophobicContact CG-CD2 4Å; L279-F283 HydrophobicContact CD1-CD1 4.33Å; L279-F283 HydrophobicContact CD2-CD1 3.66Å; L279-F283 HydrophobicContact CD2-CE1 3.94Å; L279-F283 HydrophobicContact CD2-CG 4.24Å; L279-F283 HydrophobicContact CG-CD1 4.47Å; L279-P295 HydrophobicContact CD1-CB 4.25Å; L279-P295 HydrophobicContact CD1-CG 4.01Å
280	P	92.8	Very high	90.6	Very high	46 Å²	46	56.2 Å²	56.2	30%	0.299	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-66.6	153.1	165.8	-18.4	32.7	0	0	0	111.8	V245 V247 D282 F283	V245-P280 HydrophobicContact CG1-CB 4.5Å; V245-P280 HydrophobicContact CG1-CG 4.03Å; V247-P280 HydrophobicContact CG2-CG 3.99Å; P280-D282 VanDerWaalsContact C-N 3.34Å; P280-D282 PolarHBondContact O-N 2.97Å; P280-F283 WeakPolarHBondContact O-CB 3.41Å; P280-F283 PolarHBondContact O-N 2.82Å
281	E	88.3	Confident	90.3	Very high	162 Å²	162	59.3 Å²	59.3	76%	0.757	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-62.5	-38.2	178.3	-65	179.6	179.9	0	0	112.5	F283 Y284	E281-F283 PolarHBondContact O-N 3.28Å; E281-Y284 VanDerWaalsContact O-CD2 3.23Å; E281-Y284 WeakPolarHBondContact O-CD2 3.46Å; E281-Y284 PolarHBondContact O-N 3.49Å
282	D	87	Confident	89.9	Confident	83 Å²	83	65.4 Å²	65.4	44%	0.444	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-50.9	-25.7	171.2	-65.5	20.8	0	0	0	113.2	S244 P280 Y284 Y285	S244-D282 PolarHBondContact OG-OD2 3.46Å; P280-D282 VanDerWaalsContact C-N 3.34Å; P280-D282 PolarHBondContact O-N 2.97Å; D282-Y284 VanDerWaalsContact C-N 3.3Å; D282-Y284 PolarHBondContact O-N 2.82Å; D282-Y285 PolarHBondContact O-N 3.22Å
283	F	90.2	Very high	89.4	Confident	4 Å²	4	66.4 Å²	66.4	2%	0.018	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-72.3	-20.1	-178.1	-154.6	-105.9	0	0	0	113.1	V247 I256 L279 P280 E281 Y285 P295 R298 E300 I301	V247-F283 HydrophobicContact CB-CD2 4.29Å; V247-F283 HydrophobicContact CB-CE2 4.14Å; V247-F283 HydrophobicContact CG2-CD2 3.41Å; V247-F283 VanDerWaalsContact CG2-CD2 3.41Å; V247-F283 HydrophobicContact CG2-CE2 3.75Å; V247-F283 HydrophobicContact CG2-CG 4.16Å; I256-F283 HydrophobicContact CD1-CE1 3.99Å; I256-F283 HydrophobicContact CD1-CE2 4.43Å; I256-F283 HydrophobicContact CD1-CZ 3.69Å; I256-F283 HydrophobicContact CG2-CE2 4.04Å; I256-F283 HydrophobicContact CG2-CZ 3.95Å; L279-F283 HydrophobicContact CD1-CD1 4.33Å; L279-F283 HydrophobicContact CD2-CD1 3.66Å; L279-F283 HydrophobicContact CD2-CE1 3.94Å; L279-F283 HydrophobicContact CD2-CG 4.24Å; L279-F283 HydrophobicContact CG-CD1 4.47Å; P280-F283 WeakPolarHBondContact O-CB 3.41Å; P280-F283 PolarHBondContact O-N 2.82Å; E281-F283 PolarHBondContact O-N 3.28Å; F283-Y285 PolarHBondContact O-N 2.62Å; F283-P295 HydrophobicContact CD1-CB 3.99Å; F283-P295 HydrophobicContact CE1-CB 4.02Å; F283-R298 VanDerWaalsContact O-CD 3.26Å; F283-R298 WeakPolarHBondContact O-CD 3.44Å; F283-R298 PolarHBondContact O-NH1 2.91Å; F283-E300 HydrophobicContact CE2-CG 4.04Å; F283-E300 WeakPolarHBondContact CE2-OE1 3.48Å; F283-E300 HydrophobicContact CZ-CG 4.01Å; F283-I301 HydrophobicContact CE1-CG1 4.48Å; F283-I301 HydrophobicContact CZ-CD1 4.24Å; F283-I301 HydrophobicContact CZ-CG1 4.3Å
284	Y	88.9	Confident	89	Confident	56 Å²	56	67.5 Å²	67.5	22%	0.22	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-72.9	-14.6	174.8	-59.8	-73.1	0	0	0	113.4	Q265 Q266 E281 D282 F292 G293 P295	Q265-Y284 WeakPolarHBondContact O-CE1 3.41Å; Q265-Y284 PolarHBondContact O-OH 2.87Å; Q265-Y284 VanDerWaalsContact O-OH 3.1Å; Q266-Y284 WeakPolarHBondContact CA-OH 3.5Å; E281-Y284 VanDerWaalsContact O-CD2 3.23Å; E281-Y284 WeakPolarHBondContact O-CD2 3.46Å; E281-Y284 PolarHBondContact O-N 3.49Å; D282-Y284 VanDerWaalsContact C-N 3.3Å; D282-Y284 PolarHBondContact O-N 2.82Å; Y284-F292 CarbonylContact O-C 3.58Å; Y284-F292 WeakPolarHBondContact O-CA 3.33Å; Y284-G293 PolarHBondContact O-N 3.38Å; Y284-P295 HydrophobicContact CD1-CG 3.82Å; Y284-P295 HydrophobicContact CE1-CG 3.84Å
285	Y	86.1	Confident	88.7	Confident	82 Å²	82	65.9 Å²	65.9	32%	0.322	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	107.4	178.5	178.5	-100.4	0	0	0	111.6	D282 F283 P287 Q290 F292 R298	D282-Y285 PolarHBondContact O-N 3.22Å; F283-Y285 PolarHBondContact O-N 2.62Å; Y285-P287 VanDerWaalsContact O-CD 3.26Å; Y285-P287 WeakPolarHBondContact O-CD 3.26Å; Y285-Q290 WeakPolarHBondContact OH-CA 3.32Å; Y285-Q290 WeakPolarHBondContact OH-CB 3.19Å; Y285-F292 AromaticContact CD2-CD2 3.99Å; Y285-F292 HydrophobicContact CD2-CD2 3.99Å; Y285-F292 HydrophobicContact CD2-CE1 4.37Å; Y285-F292 AromaticContact CD2-CE2 3.76Å; Y285-F292 HydrophobicContact CD2-CE2 3.76Å; Y285-F292 HydrophobicContact CD2-CG 4.38Å; Y285-F292 AromaticContact CD2-CZ 3.97Å; Y285-F292 HydrophobicContact CD2-CZ 3.97Å; Y285-F292 HydrophobicContact CE2-CE2 4.47Å; Y285-F292 HydrophobicContact CG-CZ 4.39Å; Y285-R298 PolarHBondContact O-NH1 2.88Å
286	D	85.1	Confident	88.3	Confident	9 Å²	9	61.6 Å²	61.6	5%	0.048	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	111.7	176.9	173.9	14.2	0	0	0	110.9	A288 T289 Q290 T291	D286-A288 PolarHBondContact O-N 3.23Å; D286-A288 WeakPolarHBondContact OD1-CB 3.26Å; D286-A288 PolarHBondContact OD1-N 2.57Å; D286-T289 WeakPolarHBondContact CB-OG1 3.37Å; D286-T289 VanDerWaalsContact CG-OG1 3.23Å; D286-T289 PolarHBondContact O-N 3.37Å; D286-T289 WeakPolarHBondContact OD2-CB 3.45Å; D286-T289 VanDerWaalsContact OD2-CG2 3.25Å; D286-T289 WeakPolarHBondContact OD2-CG2 3.42Å; D286-T289 PolarHBondContact OD2-OG1 3.04Å; D286-Q290 WeakPolarHBondContact O-CA 3.22Å; D286-Q290 PolarHBondContact O-N 3.3Å; D286-T291 PolarHBondContact N-O 3.24Å
287	P	82.3	Confident	87.8	Confident	39 Å²	39	65 Å²	65	25%	0.253	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-18.4	-177.4	30.9	-37.2	0	0	0	113.3	L241 Y285	L241-P287 HydrophobicContact CD2-CG 4Å; Y285-P287 VanDerWaalsContact O-CD 3.26Å; Y285-P287 WeakPolarHBondContact O-CD 3.26Å
288	A	78.6	Confident	87.5	Confident	72 Å²	72	65.2 Å²	65.2	60%	0.595	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-30.2	-179.7	0	0	0	0	0	113.2	D286 P299	D286-A288 PolarHBondContact O-N 3.23Å; D286-A288 WeakPolarHBondContact OD1-CB 3.26Å; D286-A288 PolarHBondContact OD1-N 2.57Å; A288-P299 HydrophobicContact CB-CG 3.7Å
289	T	84.7	Confident	87.2	Confident	77 Å²	77	62.8 Å²	62.8	47%	0.472	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-10	175.9	59	0	0	0	0	113.6	D286 T291	D286-T289 WeakPolarHBondContact CB-OG1 3.37Å; D286-T289 VanDerWaalsContact CG-OG1 3.23Å; D286-T289 PolarHBondContact O-N 3.37Å; D286-T289 WeakPolarHBondContact OD2-CB 3.45Å; D286-T289 VanDerWaalsContact OD2-CG2 3.25Å; D286-T289 WeakPolarHBondContact OD2-CG2 3.42Å; D286-T289 PolarHBondContact OD2-OG1 3.04Å; T289-T291 PolarHBondContact O-N 3.19Å; T289-T291 PolarHBondContact OG1-OG1 2.94Å
290	Q	84.9	Confident	87.1	Confident	150 Å²	150	62.4 Å²	62.4	70%	0.701	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	33.7	-173	-57.5	-174.1	-23.2	0	0	113.1	Y285 D286	Y285-Q290 WeakPolarHBondContact OH-CA 3.32Å; Y285-Q290 WeakPolarHBondContact OH-CB 3.19Å; D286-Q290 WeakPolarHBondContact O-CA 3.22Å; D286-Q290 PolarHBondContact O-N 3.3Å
291	T	88.9	Confident	87.1	Confident	68 Å²	68	60.9 Å²	60.9	42%	0.417	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	147.9	-180	63.4	0	0	0	0	112.4	D286 T289	D286-T291 PolarHBondContact N-O 3.24Å; T289-T291 PolarHBondContact O-N 3.19Å; T289-T291 PolarHBondContact OG1-OG1 2.94Å
292	F	86.4	Confident	87.3	Confident	154 Å²	154	59.2 Å²	59.2	68%	0.675	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	139.6	165.3	-73.6	-88.7	0	0	0	110.3	Y284 Y285	Y284-F292 CarbonylContact O-C 3.58Å; Y284-F292 WeakPolarHBondContact O-CA 3.33Å; Y285-F292 AromaticContact CD2-CD2 3.99Å; Y285-F292 HydrophobicContact CD2-CD2 3.99Å; Y285-F292 HydrophobicContact CD2-CE1 4.37Å; Y285-F292 AromaticContact CD2-CE2 3.76Å; Y285-F292 HydrophobicContact CD2-CE2 3.76Å; Y285-F292 HydrophobicContact CD2-CG 4.38Å; Y285-F292 AromaticContact CD2-CZ 3.97Å; Y285-F292 HydrophobicContact CD2-CZ 3.97Å; Y285-F292 HydrophobicContact CE2-CE2 4.47Å; Y285-F292 HydrophobicContact CG-CZ 4.39Å
293	G	83.7	Confident	87.5	Confident	29 Å²	29	57.3 Å²	57.3	30%	0.299	29%	0.293	S	S	.	.			trans	178.4	-157.5	177.7	0	0	0	0	0	114.7	Y284	Y284-G293 PolarHBondContact O-N 3.38Å
294	D	86.5	Confident	87.7	Confident	69 Å²	69	57.3 Å²	57.3	37%	0.369	29%	0.293	S	S	.	.			trans	-62.8	123.5	-178	-178.6	-21.9	0	0	0	111.6	T296 R297	D294-T296 PolarHBondContact O-N 2.8Å; D294-T296 WeakPolarHBondContact OD1-CB 3.26Å; D294-T296 WeakPolarHBondContact OD1-CG2 3.32Å; D294-T296 PolarHBondContact OD1-N 2.82Å; D294-T296 PolarHBondContact OD1-OG1 3.46Å; D294-T296 PolarHBondContact OD2-OG1 2.93Å; D294-R297 HydrophobicContact CB-CG 4.13Å; D294-R297 WeakPolarHBondContact O-CB 3.37Å; D294-R297 WeakPolarHBondContact O-CG 3.34Å; D294-R297 PolarHBondContact O-N 3.46Å
295	P	86.1	Confident	88	Confident	5 Å²	5	55.6 Å²	55.6	3%	0.032	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-50.5	-28.4	176.8	-30.8	37.3	0	0	0	115.2	F262 L279 F283 Y284 R297 R298 I301	F262-P295 HydrophobicContact CE1-CB 3.96Å; F262-P295 HydrophobicContact CZ-CB 4.27Å; L279-P295 HydrophobicContact CD1-CB 4.25Å; L279-P295 HydrophobicContact CD1-CG 4.01Å; F283-P295 HydrophobicContact CD1-CB 3.99Å; F283-P295 HydrophobicContact CE1-CB 4.02Å; Y284-P295 HydrophobicContact CD1-CG 3.82Å; Y284-P295 HydrophobicContact CE1-CG 3.84Å; P295-R297 PolarHBondContact O-N 2.68Å; P295-R298 WeakPolarHBondContact O-CB 3.46Å; P295-R298 WeakPolarHBondContact O-CG 3.46Å; P295-R298 PolarHBondContact O-N 2.87Å; P295-I301 WeakPolarHBondContact O-CG1 3.48Å
296	T	86.9	Confident	88.4	Confident	58 Å²	58	51.9 Å²	51.9	36%	0.356	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-68.2	-14.2	178.5	65.8	0	0	0	0	113.9	F262 D294 R298	F262-T296 HydrophobicContact CD2-CG2 4.09Å; F262-T296 HydrophobicContact CE2-CG2 4.14Å; D294-T296 PolarHBondContact O-N 2.8Å; D294-T296 WeakPolarHBondContact OD1-CB 3.26Å; D294-T296 WeakPolarHBondContact OD1-CG2 3.32Å; D294-T296 PolarHBondContact OD1-N 2.82Å; D294-T296 PolarHBondContact OD1-OG1 3.46Å; D294-T296 PolarHBondContact OD2-OG1 2.93Å; T296-R298 VanDerWaalsContact C-N 3.34Å
297	R	87.7	Confident	89	Confident	128 Å²	128	51.8 Å²	51.8	48%	0.483	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-77.8	-21.8	177.8	-63.1	176.8	-178.2	-167.6	0.6	113.1	D294 P295 R302	D294-R297 HydrophobicContact CB-CG 4.13Å; D294-R297 WeakPolarHBondContact O-CB 3.37Å; D294-R297 WeakPolarHBondContact O-CG 3.34Å; D294-R297 PolarHBondContact O-N 3.46Å; P295-R297 PolarHBondContact O-N 2.68Å; R297-R302 VanDerWaalsContact O-CD 3.27Å; R297-R302 WeakPolarHBondContact O-CD 3.3Å; R297-R302 VanDerWaalsContact O-CZ 3.29Å; R297-R302 PolarHBondContact O-NE 3.08Å; R297-R302 PolarHBondContact O-NH1 2.9Å; R297-R302 VanDerWaalsContact O-NH1 3.09Å
298	R	90.6	Very high	89.6	Confident	6 Å²	6	50.1 Å²	50.1	2%	0.023	26%	0.263	C	S	.	.	S	Bend	trans	-63	146.8	-172	-68.3	-175.1	75.8	85.7	6.8	113.1	F283 Y285 P295 T296 E300 I301 R302	F283-R298 VanDerWaalsContact O-CD 3.26Å; F283-R298 WeakPolarHBondContact O-CD 3.44Å; F283-R298 PolarHBondContact O-NH1 2.91Å; Y285-R298 PolarHBondContact O-NH1 2.88Å; P295-R298 WeakPolarHBondContact O-CB 3.46Å; P295-R298 WeakPolarHBondContact O-CG 3.46Å; P295-R298 PolarHBondContact O-N 2.87Å; T296-R298 VanDerWaalsContact C-N 3.34Å; R298-E300 VanDerWaalsContact C-N 3.32Å; R298-E300 HydrophobicContact CB-CG 4.41Å; R298-E300 WeakPolarHBondContact CB-OE2 3.46Å; R298-E300 IonicContact CZ-OE1 3.44Å; R298-E300 VanDerWaalsContact CZ-OE1 3.23Å; R298-E300 IonicContact NE-OE1 3.25Å; R298-E300 PolarHBondContact NE-OE1 3.42Å; R298-E300 IonicContact NE-OE2 3.12Å; R298-E300 PolarHBondContact NE-OE2 3.03Å; R298-E300 IonicContact NH2-OE1 3.74Å; R298-E300 PolarHBondContact NH2-OE1 2.96Å; R298-E300 IonicContact NH2-OE2 2.8Å; R298-E300 PolarHBondContact O-N 3.35Å; R298-I301 HydrophobicContact CB-CG1 4.33Å; R298-I301 PolarHBondContact O-N 2.84Å; R298-R302 PolarHBondContact O-N 2.81Å
299	P	91.2	Very high	90.4	Very high	10 Å²	10	48.5 Å²	48.5	7%	0.065	25%	0.246	C	C	.	.	H	α-helix	trans	-63.1	-31.8	-177.1	-23.6	35.4	0	0	0	114.8	T239 L241 A288 I301 R302 N303 I306	T239-P299 HydrophobicContact CG2-CB 3.66Å; T239-P299 HydrophobicContact CG2-CG 4.43Å; L241-P299 HydrophobicContact CD1-CB 4.4Å; L241-P299 HydrophobicContact CD2-CB 4.08Å; L241-P299 HydrophobicContact CD2-CG 3.95Å; A288-P299 HydrophobicContact CB-CG 3.7Å; P299-I301 PolarHBondContact O-N 3.43Å; P299-R302 PolarHBondContact O-N 2.85Å; P299-R302 VanDerWaalsContact O-N 3.13Å; P299-N303 WeakPolarHBondContact O-CB 3.26Å; P299-N303 PolarHBondContact O-N 3.48Å; P299-N303 PolarHBondContact O-ND2 3.09Å; P299-I306 HydrophobicContact CB-CD1 4.13Å
300	E	92.7	Very high	90.8	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.019	23%	0.225	C	C	.	.	H	α-helix	trans	-69.6	-16.6	174.9	58	-92.4	-126.7	0	0	114.2	L241 I256 N257 P258 F283 R298 I306 F308	L241-E300 HydrophobicContact CD1-CB 4.34Å; L241-E300 WeakPolarHBondContact CD1-OE2 3.47Å; I256-E300 HydrophobicContact CG2-CB 4.39Å; I256-E300 HydrophobicContact CG2-CG 3.85Å; N257-E300 CarbonylContact C-O 3.53Å; N257-E300 WeakPolarHBondContact CA-O 3.21Å; P258-E300 WeakPolarHBondContact CD-O 3.29Å; F283-E300 HydrophobicContact CE2-CG 4.04Å; F283-E300 WeakPolarHBondContact CE2-OE1 3.48Å; F283-E300 HydrophobicContact CZ-CG 4.01Å; R298-E300 VanDerWaalsContact C-N 3.32Å; R298-E300 HydrophobicContact CB-CG 4.41Å; R298-E300 WeakPolarHBondContact CB-OE2 3.46Å; R298-E300 IonicContact CZ-OE1 3.44Å; R298-E300 VanDerWaalsContact CZ-OE1 3.23Å; R298-E300 IonicContact NE-OE1 3.25Å; R298-E300 PolarHBondContact NE-OE1 3.42Å; R298-E300 IonicContact NE-OE2 3.12Å; R298-E300 PolarHBondContact NE-OE2 3.03Å; R298-E300 IonicContact NH2-OE1 3.74Å; R298-E300 PolarHBondContact NH2-OE1 2.96Å; R298-E300 IonicContact NH2-OE2 2.8Å; R298-E300 PolarHBondContact O-N 3.35Å; E300-I306 HydrophobicContact CB-CD1 3.87Å; E300-F308 HydrophobicContact CB-CE1 4.47Å; E300-F308 HydrophobicContact CB-CZ 4.12Å
301	I	93.2	Very high	91.1	Very high	13 Å²	13	39.5 Å²	39.5	7%	0.067	20%	0.202	C	C	.	.	H	α-helix	trans	-93.4	-17.6	171	-53.6	-57.2	0	0	0	111.5	I256 P258 V260 F262 F283 P295 R298 P299	I256-I301 HydrophobicContact CD1-CD1 4Å; I256-I301 HydrophobicContact CG1-CD1 3.79Å; P258-I301 WeakPolarHBondContact CA-O 3.42Å; P258-I301 WeakPolarHBondContact CB-O 3.39Å; P258-I301 WeakPolarHBondContact CG-O 3.48Å; V260-I301 HydrophobicContact CG2-CD1 4.06Å; F262-I301 HydrophobicContact CE2-CD1 4.27Å; F262-I301 HydrophobicContact CE2-CG2 4.16Å; F262-I301 HydrophobicContact CZ-CD1 3.84Å; F262-I301 HydrophobicContact CZ-CG1 4.15Å; F283-I301 HydrophobicContact CE1-CG1 4.48Å; F283-I301 HydrophobicContact CZ-CD1 4.24Å; F283-I301 HydrophobicContact CZ-CG1 4.3Å; P295-I301 WeakPolarHBondContact O-CG1 3.48Å; R298-I301 HydrophobicContact CB-CG1 4.33Å; R298-I301 PolarHBondContact O-N 2.84Å; P299-I301 PolarHBondContact O-N 3.43Å
302	R	90.9	Very high	91	Very high	128 Å²	128	40 Å²	40	48%	0.483	21%	0.213	S	C	.	.	H	α-helix	trans	-99.8	-24.3	-178.3	-69.6	179.1	167.2	176.7	-13.7	114.7	R297 R298 P299	R297-R302 VanDerWaalsContact O-CD 3.27Å; R297-R302 WeakPolarHBondContact O-CD 3.3Å; R297-R302 VanDerWaalsContact O-CZ 3.29Å; R297-R302 PolarHBondContact O-NE 3.08Å; R297-R302 PolarHBondContact O-NH1 2.9Å; R297-R302 VanDerWaalsContact O-NH1 3.09Å; R298-R302 PolarHBondContact O-N 2.81Å; P299-R302 PolarHBondContact O-N 2.85Å; P299-R302 VanDerWaalsContact O-N 3.13Å
303	N	92.1	Very high	91.1	Very high	43 Å²	43	38.5 Å²	38.5	23%	0.23	21%	0.208	C	C	.	.			trans	-112.8	123.9	-174.1	-61.3	-88.3	0	0	0	111.3	T239 P258 P299 S305	T239-N303 PolarHBondContact OG1-ND2 3.41Å; P258-N303 VanDerWaalsContact CG-C 3.48Å; P258-N303 WeakPolarHBondContact CG-O 3.4Å; P299-N303 WeakPolarHBondContact O-CB 3.26Å; P299-N303 PolarHBondContact O-N 3.48Å; P299-N303 PolarHBondContact O-ND2 3.09Å; N303-S305 WeakPolarHBondContact CB-O 3.21Å; N303-S305 PolarHBondContact O-N 3.15Å
304	A	93.8	Very high	91.4	Very high	4 Å²	4	38.4 Å²	38.4	3%	0.033	20%	0.199	C	C	.	.	S	Bend	trans	-69	-14	173.2	0	0	0	0	0	113.3	I197 I199 H637 T638	I197-A304 HydrophobicContact CG2-CB 4.47Å; I199-A304 HydrophobicContact CB-CB 3.98Å; A304-H637 WeakPolarHBondContact O-CA 3.25Å; A304-T638 PolarHBondContact O-N 3.44Å
305	S	95.6	Very high	91.4	Very high	19 Å²	19	38.1 Å²	38.1	13%	0.133	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	124.4	174.6	-67.3	0	0	0	0	110	N303 V636 H637	N303-S305 WeakPolarHBondContact CB-O 3.21Å; N303-S305 PolarHBondContact O-N 3.15Å; S305-V636 VanDerWaalsContact CA-O 3.31Å; S305-V636 WeakPolarHBondContact CA-O 3.22Å; S305-H637 WeakPolarHBondContact CB-ND1 3.2Å; S305-H637 PolarHBondContact OG-ND1 2.89Å
306	I	95.6	Very high	91.3	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.026	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	157.6	-176.1	-160.6	158.4	0	0	0	111	T239 L241 P299 E300 F308 R635 V636	T239-I306 HydrophobicContact CG2-CD1 4.17Å; T239-I306 HydrophobicContact CG2-CG1 4.33Å; T239-I306 WeakPolarHBondContact O-CG1 3.21Å; L241-I306 HydrophobicContact CD1-CD1 3.42Å; L241-I306 VanDerWaalsContact CD1-CD1 3.42Å; L241-I306 HydrophobicContact CD1-CG1 4.27Å; L241-I306 HydrophobicContact CG-CD1 3.81Å; L241-I306 HydrophobicContact CG-CG1 4.27Å; P299-I306 HydrophobicContact CB-CD1 4.13Å; E300-I306 HydrophobicContact CB-CD1 3.87Å; I306-F308 HydrophobicContact CG2-CD2 4.45Å; I306-F308 HydrophobicContact CG2-CE2 3.66Å; I306-F308 HydrophobicContact CG2-CZ 3.91Å; I306-R635 WeakPolarHBondContact O-CA 3.44Å; I306-V636 HydrophobicContact CG2-CB 4.21Å; I306-V636 PolarHBondContact N-O 3.43Å; I306-V636 PolarHBondContact O-N 3.13Å
307	E	96.5	Very high	91.4	Very high	7 Å²	7	43.5 Å²	43.5	3%	0.033	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	135	174.2	-171.7	176.1	106.6	0	0	111	L238 T239 I240 L241 Y625 R633 I634 R635	L238-E307 HydrophobicContact CD1-CB 4.36Å; L238-E307 HydrophobicContact CD2-CB 4.09Å; L238-E307 HydrophobicContact CG-CB 4.28Å; T239-E307 PolarHBondContact O-N 2.93Å; I240-E307 CarbonylContact C-O 3.57Å; I240-E307 VanDerWaalsContact CA-O 3.31Å; I240-E307 WeakPolarHBondContact CA-O 3.44Å; I240-E307 HydrophobicContact CG1-CB 4.34Å; L241-E307 PolarHBondContact N-O 2.98Å; E307-Y625 PolarHBondContact OE1-OH 3.49Å; E307-Y625 PolarHBondContact OE2-OH 3.17Å; E307-R633 HydrophobicContact CG-CB 4.3Å; E307-R633 IonicContact OE1-NH1 2.65Å; E307-R633 PolarHBondContact OE1-NH1 2.76Å; E307-I634 CarbonylContact C-O 3.51Å; E307-I634 VanDerWaalsContact CA-O 3.3Å; E307-I634 WeakPolarHBondContact CA-O 3.36Å; E307-R635 HydrophobicContact CG-CB 4.35Å; E307-R635 IonicContact OE2-CZ 3.21Å; E307-R635 IonicContact OE2-NE 2.74Å; E307-R635 PolarHBondContact OE2-NE 3.39Å; E307-R635 IonicContact OE2-NH2 2.89Å; E307-R635 PolarHBondContact OE2-NH2 3.05Å
308	F	96	Very high	91.5	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.018	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	140.7	175	-56.4	-88.7	0	0	0	110.1	L241 T243 I246 E300 I306 A310 R633 I634 V636	L241-F308 HydrophobicContact CB-CD1 4.06Å; L241-F308 HydrophobicContact CB-CE1 4.45Å; L241-F308 HydrophobicContact CD1-CD1 4.31Å; L241-F308 HydrophobicContact CD1-CE1 3.86Å; L241-F308 CarbonylContact O-C 3.55Å; L241-F308 WeakPolarHBondContact O-CA 3.32Å; T243-F308 HydrophobicContact CG2-CD1 4.02Å; T243-F308 HydrophobicContact CG2-CE1 4.49Å; I246-F308 HydrophobicContact CD1-CB 3.71Å; I246-F308 HydrophobicContact CD1-CD1 4.36Å; I246-F308 HydrophobicContact CD1-CG 4.03Å; I246-F308 HydrophobicContact CG1-CB 4.47Å; I246-F308 HydrophobicContact CG1-CD1 4.25Å; I246-F308 HydrophobicContact CG1-CG 4.41Å; E300-F308 HydrophobicContact CB-CE1 4.47Å; E300-F308 HydrophobicContact CB-CZ 4.12Å; I306-F308 HydrophobicContact CG2-CD2 4.45Å; I306-F308 HydrophobicContact CG2-CE2 3.66Å; I306-F308 HydrophobicContact CG2-CZ 3.91Å; F308-A310 PolarHBondContact O-N 2.77Å; F308-R633 CarbonylContact O-C 3.24Å; F308-R633 VanDerWaalsContact O-CA 3.3Å; F308-R633 WeakPolarHBondContact O-CA 3.47Å; F308-I634 HydrophobicContact CB-CB 4.37Å; F308-I634 HydrophobicContact CD2-CB 4.47Å; F308-I634 PolarHBondContact N-O 3.39Å; F308-I634 PolarHBondContact O-N 3.14Å; F308-V636 HydrophobicContact CD2-CG2 4.24Å; F308-V636 HydrophobicContact CE2-CG2 3.97Å
309	V	95	Very high	91.4	Very high	38 Å²	38	45.3 Å²	45.3	23%	0.23	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	123.5	154	-176.1	0	0	0	0	106.8	L241 P311	L241-V309 PolarHBondContact O-N 3.18Å; V309-P311 WeakPolarHBondContact O-CD 3.33Å
310	A	92.8	Very high	91.3	Very high	5 Å²	5	46 Å²	46	4%	0.041	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-84.9	126.8	-173.8	0	0	0	0	0	110.5	F308 Y314 L624 R632 I634	F308-A310 PolarHBondContact O-N 2.77Å; A310-Y314 HydrophobicContact CB-CD2 4.3Å; A310-Y314 HydrophobicContact CB-CG 4.22Å; A310-L624 HydrophobicContact CB-CD1 4.44Å; A310-R632 HydrophobicContact CB-CB 4.05Å; A310-R632 HydrophobicContact CB-CG 4Å; A310-R632 WeakPolarHBondContact CB-O 3.3Å; A310-R632 PolarHBondContact N-O 3.35Å; A310-I634 HydrophobicContact CB-CD1 3.81Å; A310-I634 HydrophobicContact CB-CG1 3.95Å
311	P	90.9	Very high	91.3	Very high	32 Å²	32	47.9 Å²	47.9	21%	0.208	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-61.1	162.1	171.7	-22.8	32.9	0	0	0	112.3	I246 V309 E313 Y314	I246-P311 HydrophobicContact CD1-CG 4.42Å; I246-P311 HydrophobicContact CG1-CG 4.49Å; V309-P311 WeakPolarHBondContact O-CD 3.33Å; P311-E313 HydrophobicContact CB-CG 4.4Å; P311-E313 PolarHBondContact O-N 2.94Å; P311-Y314 PolarHBondContact O-N 3.43Å
312	A	87.5	Confident	91.5	Very high	78 Å²	78	47.4 Å²	47.4	65%	0.645	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-54.6	-23.6	-177.4	0	0	0	0	0	114.6	Y314 M315	A312-Y314 PolarHBondContact O-N 3.33Å; A312-Y314 VanDerWaalsContact O-N 3.07Å; A312-M315 WeakPolarHBondContact O-CB 3.48Å; A312-M315 PolarHBondContact O-N 3Å
313	E	88.9	Confident	91.8	Very high	123 Å²	123	41.3 Å²	41.3	58%	0.575	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-61.3	-14	173.9	71.9	170.7	-141.2	0	0	114.5	R248 P311	R248-E313 IonicContact NH2-OE1 3.3Å; P311-E313 HydrophobicContact CB-CG 4.4Å; P311-E313 PolarHBondContact O-N 2.94Å
314	Y	88.2	Confident	92.1	Very high	27 Å²	27	39.3 Å²	39.3	11%	0.106	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-98.3	5.4	175.5	-66.7	-95	0	0	0	113.5	I246 R248 A310 P311 A312 L624 I634	I246-Y314 HydrophobicContact CD1-CE2 4.21Å; R248-Y314 PolarHBondContact NE-OH 2.69Å; R248-Y314 PolarHBondContact NH1-OH 3.09Å; R248-Y314 PolarHBondContact NH2-OH 3.13Å; R248-Y314 VanDerWaalsContact NH2-OH 3.12Å; A310-Y314 HydrophobicContact CB-CD2 4.3Å; A310-Y314 HydrophobicContact CB-CG 4.22Å; P311-Y314 PolarHBondContact O-N 3.43Å; A312-Y314 PolarHBondContact O-N 3.33Å; A312-Y314 VanDerWaalsContact O-N 3.07Å; Y314-L624 HydrophobicContact CD1-CD1 4.19Å; Y314-L624 HydrophobicContact CG-CD1 4.48Å; Y314-I634 HydrophobicContact CD1-CD1 3.68Å; Y314-I634 HydrophobicContact CD2-CD1 4.19Å; Y314-I634 HydrophobicContact CE1-CD1 3.58Å; Y314-I634 HydrophobicContact CE2-CD1 4.13Å; Y314-I634 HydrophobicContact CG-CD1 3.98Å
315	M	87	Confident	92.3	Very high	64 Å²	64	39.1 Å²	39.1	32%	0.315	23%	0.226	S	C	.	.			trans	-111.1	123	-179.9	-60.2	174.3	-178	0	0	109.6	A312 R632	A312-M315 WeakPolarHBondContact O-CB 3.48Å; A312-M315 PolarHBondContact O-N 3Å; M315-R632 HydrophobicContact CE-CB 3.52Å; M315-R632 HydrophobicContact CG-CB 4.02Å; M315-R632 HydrophobicContact CG-CG 4.2Å
316	A	84.5	Confident	92.4	Very high	72 Å²	72	38.3 Å²	38.3	60%	0.595	22%	0.22	S	C	*	.	S	Bend	trans	-86.1	-27.8	173	0	0	0	0	0	112.3
317	R	89.9	Confident	92.6	Very high	103 Å²	103	38.1 Å²	38.1	39%	0.389	22%	0.219	S	C	.	.	S	Bend	trans	-140.8	165.1	171.7	60.3	174.6	-176.4	164.7	1.9	108.1	S446 T447 E563	R317-S446 PolarHBondContact NH1-O 3.11Å; R317-T447 PolarHBondContact NH2-O 3.01Å; R317-E563 IonicContact CZ-OE1 3.87Å; R317-E563 VanDerWaalsContact CZ-OE1 3.3Å; R317-E563 IonicContact NE-OE1 3.32Å; R317-E563 PolarHBondContact NE-OE1 3.21Å; R317-E563 IonicContact NH2-OE1 2.74Å; R317-E563 PolarHBondContact NH2-OE1 3.04Å
318	N	88	Confident	92.7	Very high	142 Å²	142	37.8 Å²	37.8	76%	0.759	22%	0.217	S	C	*	.	P	Polyproline II helix	trans	-59.5	138.2	166.1	-71	-8.8	0	0	0	109.2
319	P	89.8	Confident	92.8	Very high	31 Å²	31	37.6 Å²	37.6	20%	0.201	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-48.5	127.9	172.9	-36.6	43.4	0	0	0	112.8	T626 G630	P319-T626 HydrophobicContact CB-CG2 3.72Å; P319-T626 HydrophobicContact CG-CG2 4.28Å; P319-G630 WeakPolarHBondContact CB-O 3.26Å; P319-G630 WeakPolarHBondContact CG-O 3.39Å
320	P	89.3	Confident	92.9	Very high	23 Å²	23	35.8 Å²	35.8	15%	0.149	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-72.5	158.4	172.4	33.1	-37.2	0	0	0	110.9	T447	P320-T447 HydrophobicContact CB-CG2 3.92Å; P320-T447 WeakPolarHBondContact CB-O 3.48Å; P320-T447 WeakPolarHBondContact CG-O 3.28Å
321	P	92.7	Very high	93.1	Very high	44 Å²	44	35.6 Å²	35.6	29%	0.286	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-64.6	158.1	169.5	29.6	-35.5	0	0	0	111.1	C323 D359 T447	P321-C323 PolarHBondContact O-N 2.96Å; P321-D359 HydrophobicContact CB-CB 4.1Å; P321-D359 WeakPolarHBondContact CB-O 3.29Å; P321-T447 HydrophobicContact CG-CG2 4.37Å
322	A	96	Very high	93.3	Very high	3 Å²	3	37 Å²	37	3%	0.025	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-62.8	132	171.4	0	0	0	0	0	110.1	Y324 T360 L361 F562	A322-Y324 HydrophobicContact CB-CE2 3.98Å; A322-T360 HydrophobicContact CB-CG2 4.25Å; A322-T360 CarbonylContact O-C 3.59Å; A322-T360 WeakPolarHBondContact O-CA 3.43Å; A322-L361 PolarHBondContact O-N 2.89Å; A322-F562 HydrophobicContact CB-CE2 3.99Å; A322-F562 HydrophobicContact CB-CZ 4.19Å
323	C	97.2	Very high	93.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	125.4	179.5	-173.2	0	0	0	0	110.7	P321 L361 T447 G448 G449 R450	P321-C323 PolarHBondContact O-N 2.96Å; C323-L361 WeakPolarHBondContact CA-O 3.36Å; C323-L361 HydrophobicContact CB-CB 4.27Å; C323-T447 HydrophobicContact CB-CG2 4.1Å; C323-G448 WeakPolarHBondContact CB-O 3.22Å; C323-G449 WeakPolarHBondContact O-CA 3.34Å; C323-R450 PolarHBondContact O-N 2.94Å
324	Y	98.1	Very high	94	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.008	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	117.2	-176	-62.9	-66.9	0	0	0	111.2	A322 P355 T360 L361 I362 C363 R450 F562	A322-Y324 HydrophobicContact CB-CE2 3.98Å; Y324-P355 WeakPolarHBondContact CE2-O 3.49Å; Y324-P355 PolarHBondContact OH-O 3.47Å; Y324-T360 HydrophobicContact CD2-CG2 3.9Å; Y324-T360 HydrophobicContact CE2-CG2 3.9Å; Y324-L361 PolarHBondContact N-O 3.31Å; Y324-I362 CarbonylContact O-C 3.58Å; Y324-I362 WeakPolarHBondContact O-CA 3.48Å; Y324-C363 PolarHBondContact O-N 3.27Å; Y324-R450 HydrophobicContact CD1-CB 4.05Å; Y324-R450 HydrophobicContact CE1-CB 4.29Å; Y324-F562 HydrophobicContact CE1-CZ 4.32Å
325	V	98.5	Very high	94.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	126.2	173.8	-173.9	0	0	0	0	108.7	V327 C363 M365 A440 I444 R450 V451 T452	V325-V327 HydrophobicContact CG1-CG2 4.15Å; V325-C363 WeakPolarHBondContact CA-O 3.29Å; V325-C363 HydrophobicContact CB-CB 4.36Å; V325-C363 HydrophobicContact CG1-CB 4.18Å; V325-C363 HydrophobicContact CG2-CB 4.03Å; V325-M365 HydrophobicContact CG1-CG 4.47Å; V325-M365 HydrophobicContact CG1-SD 3.92Å; V325-A440 HydrophobicContact CG1-CB 4.06Å; V325-I444 HydrophobicContact CG2-CD1 3.92Å; V325-I444 HydrophobicContact CG2-CG2 3.55Å; V325-R450 PolarHBondContact N-O 3.09Å; V325-V451 HydrophobicContact CB-CG2 4.3Å; V325-V451 CarbonylContact O-C 3.58Å; V325-V451 WeakPolarHBondContact O-CA 3.4Å; V325-T452 PolarHBondContact O-N 2.73Å
326	F	98.7	Very high	94.7	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.009	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	123.1	174.3	-59.5	-82.8	0	0	0	109.5	F328 F343 L347 I362 C363 F364 M365 T452 L556	F326-F328 HydrophobicContact CB-CE1 4.11Å; F326-F328 HydrophobicContact CB-CE2 3.89Å; F326-F328 HydrophobicContact CB-CZ 3.51Å; F326-F328 HydrophobicContact CG-CZ 4.34Å; F326-F343 AromaticContact CD1-CE1 3.84Å; F326-F343 HydrophobicContact CD1-CE1 3.84Å; F326-F343 AromaticContact CD1-CZ 3.6Å; F326-F343 HydrophobicContact CD1-CZ 3.6Å; F326-F343 HydrophobicContact CE1-CE1 4.25Å; F326-F343 AromaticContact CE1-CZ 3.63Å; F326-F343 HydrophobicContact CE1-CZ 3.63Å; F326-F343 HydrophobicContact CG-CE1 4.4Å; F326-L347 HydrophobicContact CD2-CD2 4.12Å; F326-L347 HydrophobicContact CE1-CD2 4.36Å; F326-L347 HydrophobicContact CE2-CD1 4.36Å; F326-L347 HydrophobicContact CE2-CD2 3.92Å; F326-L347 HydrophobicContact CG-CD2 4.43Å; F326-L347 HydrophobicContact CZ-CD1 3.96Å; F326-L347 HydrophobicContact CZ-CD2 4.05Å; F326-I362 HydrophobicContact CD2-CD1 4.35Å; F326-I362 HydrophobicContact CD2-CG1 4.21Å; F326-I362 HydrophobicContact CE2-CD1 3.77Å; F326-I362 HydrophobicContact CE2-CG1 3.89Å; F326-C363 PolarHBondContact N-O 2.89Å; F326-F364 HydrophobicContact CB-CD1 4.09Å; F326-F364 HydrophobicContact CD2-CD1 4.01Å; F326-F364 AromaticContact CD2-CE1 3.7Å; F326-F364 HydrophobicContact CD2-CE1 3.7Å; F326-F364 HydrophobicContact CE2-CE1 4.38Å; F326-F364 HydrophobicContact CG-CD1 4.43Å; F326-F364 HydrophobicContact CG-CE1 4.37Å; F326-M365 PolarHBondContact O-N 3.22Å; F326-M365 VanDerWaalsContact O-O 3.09Å; F326-T452 WeakPolarHBondContact CA-O 3.46Å; F326-T452 HydrophobicContact CD1-CG2 4.15Å; F326-T452 HydrophobicContact CE1-CG2 4.43Å; F326-L556 HydrophobicContact CE1-CD2 4.46Å
327	V	98.7	Very high	95.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	111.3	-179.3	-177.3	0	0	0	0	108.6	V325 M365 V367 A436 I437 A440 V451 T452 A453 F454	V325-V327 HydrophobicContact CG1-CG2 4.15Å; V327-M365 WeakPolarHBondContact CA-O 3.49Å; V327-M365 HydrophobicContact CG2-CB 4.24Å; V327-M365 HydrophobicContact CG2-SD 4.38Å; V327-V367 HydrophobicContact CG1-CG1 3.95Å; V327-A436 HydrophobicContact CG1-CB 3.96Å; V327-I437 HydrophobicContact CG1-CD1 4.38Å; V327-I437 HydrophobicContact CG2-CD1 4.47Å; V327-A440 HydrophobicContact CG2-CB 4.01Å; V327-V451 HydrophobicContact CG2-CG1 3.71Å; V327-T452 PolarHBondContact N-O 2.84Å; V327-A453 HydrophobicContact CB-CB 4.41Å; V327-A453 WeakPolarHBondContact O-CA 3.38Å; V327-F454 PolarHBondContact O-N 2.83Å
328	F	98.5	Very high	95.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	121.8	-175.5	-55.2	-65.7	0	0	0	112	F326 V330 Y339 L340 F343 F364 M365 A366 V367 L419 F454	F326-F328 HydrophobicContact CB-CE1 4.11Å; F326-F328 HydrophobicContact CB-CE2 3.89Å; F326-F328 HydrophobicContact CB-CZ 3.51Å; F326-F328 HydrophobicContact CG-CZ 4.34Å; F328-V330 HydrophobicContact CB-CG1 4.09Å; F328-V330 PolarHBondContact O-N 2.81Å; F328-Y339 WeakPolarHBondContact CA-OH 3.41Å; F328-Y339 WeakPolarHBondContact CB-OH 3.5Å; F328-Y339 HydrophobicContact CD1-CE2 4.34Å; F328-L340 HydrophobicContact CB-CD1 4.15Å; F328-L340 HydrophobicContact CD1-CD1 3.62Å; F328-L340 HydrophobicContact CD2-CD1 4.15Å; F328-L340 HydrophobicContact CE1-CD1 4.01Å; F328-L340 HydrophobicContact CE2-CD1 4.48Å; F328-L340 HydrophobicContact CG-CD1 3.7Å; F328-L340 HydrophobicContact CZ-CD1 4.41Å; F328-F343 AromaticContact CE1-CD1 3.45Å; F328-F343 HydrophobicContact CE1-CD1 3.45Å; F328-F343 VanDerWaalsContact CE1-CD1 3.45Å; F328-F343 AromaticContact CE1-CE1 3.6Å; F328-F343 HydrophobicContact CE1-CE1 3.6Å; F328-F343 HydrophobicContact CE1-CG 4.47Å; F328-F343 AromaticContact CZ-CD1 3.91Å; F328-F343 HydrophobicContact CZ-CD1 3.91Å; F328-F343 AromaticContact CZ-CE1 3.79Å; F328-F343 HydrophobicContact CZ-CE1 3.79Å; F328-F364 HydrophobicContact CE2-CD1 4.02Å; F328-F364 HydrophobicContact CZ-CD1 4.36Å; F328-M365 VanDerWaalsContact CD2-O 3.25Å; F328-M365 WeakPolarHBondContact CD2-O 3.39Å; F328-M365 PolarHBondContact N-O 3.39Å; F328-A366 HydrophobicContact CB-CB 4.31Å; F328-A366 CarbonylContact O-C 3.58Å; F328-A366 VanDerWaalsContact O-CA 3.29Å; F328-A366 WeakPolarHBondContact O-CA 3.48Å; F328-V367 WeakPolarHBondContact O-CG1 3.24Å; F328-V367 PolarHBondContact O-N 3.42Å; F328-L419 HydrophobicContact CD2-CD2 4.02Å; F328-L419 HydrophobicContact CE2-CD2 3.64Å; F328-L419 HydrophobicContact CZ-CD2 4.38Å; F328-F454 AromaticContact CD1-CD2 3.48Å; F328-F454 HydrophobicContact CD1-CD2 3.48Å; F328-F454 VanDerWaalsContact CD1-CD2 3.48Å; F328-F454 AromaticContact CD1-CE2 3.86Å; F328-F454 HydrophobicContact CD1-CE2 3.86Å; F328-F454 HydrophobicContact CD1-CG 4.36Å; F328-F454 AromaticContact CE1-CD2 3.74Å; F328-F454 HydrophobicContact CE1-CD2 3.74Å; F328-F454 AromaticContact CE1-CE2 3.59Å; F328-F454 HydrophobicContact CE1-CE2 3.59Å
329	D	97.8	Very high	95.9	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	115.9	160.3	177.9	-6.5	0	0	0	108.5	S331 A334 Y339 L431 F454 A456 N457	D329-S331 VanDerWaalsContact OD1-CB 3.22Å; D329-S331 WeakPolarHBondContact OD1-CB 3.34Å; D329-S331 PolarHBondContact OD1-N 3Å; D329-S331 PolarHBondContact OD1-OG 3.45Å; D329-A334 HydrophobicContact CB-CB 4.03Å; D329-A334 VanDerWaalsContact CG-CB 3.47Å; D329-A334 WeakPolarHBondContact O-CB 3.42Å; D329-A334 VanDerWaalsContact OD1-CB 3.31Å; D329-A334 WeakPolarHBondContact OD1-CB 3.43Å; D329-Y339 PolarHBondContact N-OH 3Å; D329-Y339 PolarHBondContact O-OH 3.32Å; D329-L431 HydrophobicContact CB-CD1 4.16Å; D329-L431 WeakPolarHBondContact OD1-CD1 3.33Å; D329-F454 VanDerWaalsContact CB-O 3.29Å; D329-F454 WeakPolarHBondContact CB-O 3.22Å; D329-F454 PolarHBondContact N-O 3.13Å; D329-A456 PolarHBondContact OD2-N 2.78Å; D329-N457 PolarHBondContact OD2-N 3.11Å
330	V	97.7	Very high	96.3	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.006	9%	0.086	C	C	.	.			trans	-117	20.5	178.3	-62.5	0	0	0	0	112	F328 I335 L340 A366 V367 D368 F423	F328-V330 HydrophobicContact CB-CG1 4.09Å; F328-V330 PolarHBondContact O-N 2.81Å; V330-I335 HydrophobicContact CB-CD1 4.13Å; V330-I335 HydrophobicContact CG1-CD1 4.32Å; V330-L340 HydrophobicContact CG1-CD2 4.15Å; V330-A366 HydrophobicContact CG1-CB 3.8Å; V330-A366 HydrophobicContact CG2-CB 3.87Å; V330-V367 PolarHBondContact N-O 3.37Å; V330-D368 HydrophobicContact CG2-CB 4.03Å; V330-F423 HydrophobicContact CB-CB 4.28Å; V330-F423 HydrophobicContact CB-CD1 3.83Å; V330-F423 HydrophobicContact CB-CD2 4.37Å; V330-F423 HydrophobicContact CB-CE1 4.22Å; V330-F423 HydrophobicContact CB-CG 3.91Å; V330-F423 HydrophobicContact CG1-CB 4.41Å; V330-F423 HydrophobicContact CG1-CD1 4.25Å; V330-F423 HydrophobicContact CG1-CD2 3.89Å; V330-F423 HydrophobicContact CG1-CE2 4.17Å; V330-F423 HydrophobicContact CG1-CG 3.93Å; V330-F423 HydrophobicContact CG1-CZ 4.47Å; V330-F423 HydrophobicContact CG2-CD1 3.7Å; V330-F423 HydrophobicContact CG2-CE1 3.63Å; V330-F423 HydrophobicContact CG2-CG 4.25Å; V330-F423 HydrophobicContact CG2-CZ 4.11Å
331	S	96.6	Very high	96.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-61.5	159.9	167.9	68.8	0	0	0	0	111.2	D329 A333 A334 I335 S428 N457	D329-S331 VanDerWaalsContact OD1-CB 3.22Å; D329-S331 WeakPolarHBondContact OD1-CB 3.34Å; D329-S331 PolarHBondContact OD1-N 3Å; D329-S331 PolarHBondContact OD1-OG 3.45Å; S331-A333 PolarHBondContact O-N 2.97Å; S331-A333 VanDerWaalsContact O-N 3.15Å; S331-A334 WeakPolarHBondContact O-CA 3.41Å; S331-A334 WeakPolarHBondContact O-CB 3.41Å; S331-A334 PolarHBondContact O-N 3.01Å; S331-I335 PolarHBondContact O-N 2.88Å; S331-S428 WeakPolarHBondContact CA-O 3.32Å; S331-N457 WeakPolarHBondContact OG-CB 3.24Å
332	I	95.8	Very high	96.9	Very high	63 Å²	63	18.1 Å²	18.1	32%	0.323	9%	0.093	S	C	.	.	H	α-helix	trans	-48.4	-46.6	179.1	-68.5	162	0	0	0	111.3	A334 I335 E336 G426 S428 P429	I332-A334 PolarHBondContact O-N 2.87Å; I332-I335 PolarHBondContact O-N 3.39Å; I332-E336 HydrophobicContact CG2-CG 4.36Å; I332-E336 WeakPolarHBondContact O-CB 3.36Å; I332-E336 VanDerWaalsContact O-CG 3.27Å; I332-E336 WeakPolarHBondContact O-CG 3.5Å; I332-E336 PolarHBondContact O-N 2.96Å; I332-G426 VanDerWaalsContact CG1-O 3.23Å; I332-G426 WeakPolarHBondContact CG1-O 3.31Å; I332-S428 WeakPolarHBondContact CG1-O 3.25Å; I332-S428 PolarHBondContact N-O 2.91Å; I332-P429 HydrophobicContact CD1-CB 4.39Å
333	A	94.3	Very high	97	Very high	8 Å²	8	18 Å²	18	7%	0.066	9%	0.092	C	C	.	.	H	α-helix	trans	-63.3	-25.7	-179.3	0	0	0	0	0	114	S331 T337 N457	S331-A333 PolarHBondContact O-N 2.97Å; S331-A333 VanDerWaalsContact O-N 3.15Å; A333-T337 WeakPolarHBondContact O-CG2 3.29Å; A333-N457 HydrophobicContact CB-CB 4.25Å
334	A	96.4	Very high	97	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-84.6	-44.8	177.9	0	0	0	0	0	111.5	D329 S331 I332 E336 T337 Y339 A456	D329-A334 HydrophobicContact CB-CB 4.03Å; D329-A334 VanDerWaalsContact CG-CB 3.47Å; D329-A334 WeakPolarHBondContact O-CB 3.42Å; D329-A334 VanDerWaalsContact OD1-CB 3.31Å; D329-A334 WeakPolarHBondContact OD1-CB 3.43Å; S331-A334 WeakPolarHBondContact O-CA 3.41Å; S331-A334 WeakPolarHBondContact O-CB 3.41Å; S331-A334 PolarHBondContact O-N 3.01Å; I332-A334 PolarHBondContact O-N 2.87Å; A334-E336 VanDerWaalsContact C-N 3.34Å; A334-E336 PolarHBondContact O-N 3.15Å; A334-T337 WeakPolarHBondContact O-CB 3.39Å; A334-T337 PolarHBondContact O-N 2.81Å; A334-T337 VanDerWaalsContact O-N 3.13Å; A334-T337 PolarHBondContact O-OG1 3.31Å; A334-Y339 HydrophobicContact CB-CE1 4.04Å; A334-A456 HydrophobicContact CB-CB 3.75Å
335	I	95.7	Very high	97	Very high	34 Å²	34	22.3 Å²	22.3	17%	0.174	11%	0.112	C	C	.	.	H	α-helix	trans	-60.8	-42	176	-59.5	-58.7	0	0	0	111.1	V330 S331 I332 T337 G338 L340 F423	V330-I335 HydrophobicContact CB-CD1 4.13Å; V330-I335 HydrophobicContact CG1-CD1 4.32Å; S331-I335 PolarHBondContact O-N 2.88Å; I332-I335 PolarHBondContact O-N 3.39Å; I335-T337 PolarHBondContact O-N 2.86Å; I335-G338 PolarHBondContact O-N 3.45Å; I335-L340 HydrophobicContact CD1-CD2 4.35Å; I335-F423 HydrophobicContact CD1-CB 3.69Å; I335-F423 HydrophobicContact CG1-CB 4.45Å
336	E	94.2	Very high	97	Very high	107 Å²	107	23.6 Å²	23.6	50%	0.5	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-28	173.8	-83	176.7	170.5	0	0	114.2	I332 A334 R512 N537	I332-E336 HydrophobicContact CG2-CG 4.36Å; I332-E336 WeakPolarHBondContact O-CB 3.36Å; I332-E336 VanDerWaalsContact O-CG 3.27Å; I332-E336 WeakPolarHBondContact O-CG 3.5Å; I332-E336 PolarHBondContact O-N 2.96Å; A334-E336 VanDerWaalsContact C-N 3.34Å; A334-E336 PolarHBondContact O-N 3.15Å; E336-R512 IonicContact OE2-CZ 2.69Å; E336-R512 IonicContact OE2-NH2 3.28Å; E336-R512 PolarHBondContact OE2-NH2 2.7Å; E336-N537 PolarHBondContact O-ND2 3.29Å
337	T	95.6	Very high	96.9	Very high	8 Å²	8	23.5 Å²	23.5	5%	0.049	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-24.1	-178.8	73.5	0	0	0	0	112.8	A333 A334 I335 Y339 N537 I538	A333-T337 WeakPolarHBondContact O-CG2 3.29Å; A334-T337 WeakPolarHBondContact O-CB 3.39Å; A334-T337 PolarHBondContact O-N 2.81Å; A334-T337 VanDerWaalsContact O-N 3.13Å; A334-T337 PolarHBondContact O-OG1 3.31Å; I335-T337 PolarHBondContact O-N 2.86Å; T337-Y339 VanDerWaalsContact C-N 3.27Å; T337-Y339 PolarHBondContact O-N 3.12Å; T337-Y339 WeakPolarHBondContact OG1-CD1 3.43Å; T337-Y339 PolarHBondContact OG1-N 3.01Å; T337-N537 WeakPolarHBondContact O-CA 3.43Å; T337-I538 PolarHBondContact O-N 2.83Å
338	G	95.7	Very high	96.9	Very high	17 Å²	17	24.4 Å²	24.4	18%	0.175	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	7.8	-172.7	0	0	0	0	0	115.5	I335 L340	I335-G338 PolarHBondContact O-N 3.45Å; G338-L340 VanDerWaalsContact C-N 3.32Å; G338-L340 PolarHBondContact O-N 3.45Å
339	Y	97.3	Very high	96.8	Very high	1 Å²	1	29.6 Å²	29.6	0%	0.004	15%	0.148	C	C	.	.	H	α-helix	trans	-61.1	-37.5	-173.5	90.1	-83	0	0	0	113.7	F328 D329 A334 T337 K341 V342 F343 F454 L509	F328-Y339 WeakPolarHBondContact CA-OH 3.41Å; F328-Y339 WeakPolarHBondContact CB-OH 3.5Å; F328-Y339 HydrophobicContact CD1-CE2 4.34Å; D329-Y339 PolarHBondContact N-OH 3Å; D329-Y339 PolarHBondContact O-OH 3.32Å; A334-Y339 HydrophobicContact CB-CE1 4.04Å; T337-Y339 VanDerWaalsContact C-N 3.27Å; T337-Y339 PolarHBondContact O-N 3.12Å; T337-Y339 WeakPolarHBondContact OG1-CD1 3.43Å; T337-Y339 PolarHBondContact OG1-N 3.01Å; Y339-K341 VanDerWaalsContact C-N 3.27Å; Y339-K341 PolarHBondContact O-N 3.3Å; Y339-V342 PolarHBondContact O-N 3.27Å; Y339-V342 VanDerWaalsContact O-N 3.14Å; Y339-F343 PolarHBondContact O-N 3.48Å; Y339-F454 HydrophobicContact CD2-CD1 4.06Å; Y339-F454 HydrophobicContact CD2-CG 4.34Å; Y339-F454 HydrophobicContact CE2-CB 3.58Å; Y339-F454 AromaticContact CE2-CD1 3.67Å; Y339-F454 HydrophobicContact CE2-CD1 3.67Å; Y339-F454 HydrophobicContact CE2-CD2 4.11Å; Y339-F454 HydrophobicContact CE2-CE1 4.4Å; Y339-F454 AromaticContact CE2-CG 3.5Å; Y339-F454 HydrophobicContact CE2-CG 3.5Å; Y339-F454 VanDerWaalsContact CE2-CG 3.5Å; Y339-F454 WeakPolarHBondContact OH-CB 3.36Å; Y339-L509 HydrophobicContact CD1-CD1 4.23Å; Y339-L509 HydrophobicContact CD2-CD1 3.3Å; Y339-L509 HydrophobicContact CE2-CD1 3.88Å; Y339-L509 HydrophobicContact CG-CD1 3.49Å; Y339-L509 VanDerWaalsContact CG-CD1 3.49Å
340	L	97.3	Very high	96.7	Very high	7 Å²	7	31.2 Å²	31.2	4%	0.037	16%	0.155	C	C	.	.	H	α-helix	trans	-60	-41.3	-171.9	179	60.5	0	0	0	110.9	F328 V330 I335 G338 F343 C344 L419 P420 F423	F328-L340 HydrophobicContact CB-CD1 4.15Å; F328-L340 HydrophobicContact CD1-CD1 3.62Å; F328-L340 HydrophobicContact CD2-CD1 4.15Å; F328-L340 HydrophobicContact CE1-CD1 4.01Å; F328-L340 HydrophobicContact CE2-CD1 4.48Å; F328-L340 HydrophobicContact CG-CD1 3.7Å; F328-L340 HydrophobicContact CZ-CD1 4.41Å; V330-L340 HydrophobicContact CG1-CD2 4.15Å; I335-L340 HydrophobicContact CD1-CD2 4.35Å; G338-L340 VanDerWaalsContact C-N 3.32Å; G338-L340 PolarHBondContact O-N 3.45Å; L340-F343 PolarHBondContact O-N 3.27Å; L340-C344 WeakPolarHBondContact O-CB 3.43Å; L340-C344 PolarHBondContact O-N 3.43Å; L340-C344 PolarHBondContact O-SG 2.9Å; L340-L419 HydrophobicContact CD1-CD2 4.45Å; L340-P420 HydrophobicContact CG-CG 4.42Å; L340-F423 HydrophobicContact CD2-CD2 4.43Å
341	K	96.8	Very high	96.7	Very high	114 Å²	114	31.1 Å²	31.1	50%	0.496	16%	0.155	S	C	.	.	H	α-helix	trans	-59.7	-53.7	174.4	178.5	172.7	178.4	172.4	0	111.8	Y339 F343 C344 E345 P420	Y339-K341 VanDerWaalsContact C-N 3.27Å; Y339-K341 PolarHBondContact O-N 3.3Å; K341-F343 VanDerWaalsContact C-N 3.3Å; K341-F343 PolarHBondContact O-N 2.73Å; K341-C344 PolarHBondContact O-N 3.42Å; K341-E345 WeakPolarHBondContact CE-OE1 3.49Å; K341-E345 WeakPolarHBondContact CG-OE1 3.37Å; K341-E345 WeakPolarHBondContact O-CB 3.45Å; K341-E345 WeakPolarHBondContact O-CG 3.23Å; K341-E345 PolarHBondContact O-N 3.48Å; K341-P420 HydrophobicContact CB-CB 4.39Å; K341-P420 HydrophobicContact CB-CG 4.33Å
342	V	97.3	Very high	96.6	Very high	13 Å²	13	34.1 Å²	34.1	8%	0.079	18%	0.176	C	C	.	.	H	α-helix	trans	-60.4	-41.2	-179.3	-179.3	0	0	0	0	111.1	Y339 K346 I538 L545 F548	Y339-V342 PolarHBondContact O-N 3.27Å; Y339-V342 VanDerWaalsContact O-N 3.14Å; V342-K346 WeakPolarHBondContact O-CG 3.09Å; V342-K346 PolarHBondContact O-N 3.13Å; V342-I538 HydrophobicContact CG2-CG2 3.63Å; V342-L545 HydrophobicContact CG1-CD1 4.13Å; V342-L545 HydrophobicContact CG2-CD1 3.88Å; V342-F548 HydrophobicContact CB-CE1 4.35Å; V342-F548 HydrophobicContact CG1-CD1 4.02Å; V342-F548 HydrophobicContact CG1-CE1 4.13Å
343	F	98.1	Very high	96.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.3	-45.8	176.8	-178	-97.5	0	0	0	112.2	F326 F328 Y339 L340 K341 E345 K346 L347 F454 F548 M552 L556	F326-F343 AromaticContact CD1-CE1 3.84Å; F326-F343 HydrophobicContact CD1-CE1 3.84Å; F326-F343 AromaticContact CD1-CZ 3.6Å; F326-F343 HydrophobicContact CD1-CZ 3.6Å; F326-F343 HydrophobicContact CE1-CE1 4.25Å; F326-F343 AromaticContact CE1-CZ 3.63Å; F326-F343 HydrophobicContact CE1-CZ 3.63Å; F326-F343 HydrophobicContact CG-CE1 4.4Å; F328-F343 AromaticContact CE1-CD1 3.45Å; F328-F343 HydrophobicContact CE1-CD1 3.45Å; F328-F343 VanDerWaalsContact CE1-CD1 3.45Å; F328-F343 AromaticContact CE1-CE1 3.6Å; F328-F343 HydrophobicContact CE1-CE1 3.6Å; F328-F343 HydrophobicContact CE1-CG 4.47Å; F328-F343 AromaticContact CZ-CD1 3.91Å; F328-F343 HydrophobicContact CZ-CD1 3.91Å; F328-F343 AromaticContact CZ-CE1 3.79Å; F328-F343 HydrophobicContact CZ-CE1 3.79Å; Y339-F343 PolarHBondContact O-N 3.48Å; L340-F343 PolarHBondContact O-N 3.27Å; K341-F343 VanDerWaalsContact C-N 3.3Å; K341-F343 PolarHBondContact O-N 2.73Å; F343-E345 VanDerWaalsContact C-N 3.3Å; F343-E345 PolarHBondContact O-N 3.13Å; F343-K346 PolarHBondContact O-N 3.35Å; F343-L347 HydrophobicContact CE1-CB 4.09Å; F343-L347 HydrophobicContact CE1-CD2 3.69Å; F343-L347 HydrophobicContact CE1-CG 4.46Å; F343-L347 HydrophobicContact CZ-CB 4.19Å; F343-L347 HydrophobicContact CZ-CD2 4.06Å; F343-L347 VanDerWaalsContact O-CB 3.32Å; F343-L347 WeakPolarHBondContact O-CB 3.5Å; F343-L347 PolarHBondContact O-N 2.85Å; F343-F454 HydrophobicContact CD1-CE2 4.16Å; F343-F454 HydrophobicContact CD1-CZ 4.13Å; F343-F454 HydrophobicContact CD2-CE1 4.12Å; F343-F454 HydrophobicContact CD2-CE2 4.34Å; F343-F454 AromaticContact CD2-CZ 3.51Å; F343-F454 HydrophobicContact CD2-CZ 3.51Å; F343-F454 HydrophobicContact CE1-CE2 4.02Å; F343-F454 HydrophobicContact CE1-CZ 4.1Å; F343-F454 HydrophobicContact CE2-CE1 4.44Å; F343-F454 HydrophobicContact CE2-CE2 4.24Å; F343-F454 AromaticContact CE2-CZ 3.52Å; F343-F454 HydrophobicContact CE2-CZ 3.52Å; F343-F454 HydrophobicContact CG-CE1 4.45Å; F343-F454 HydrophobicContact CG-CE2 4.31Å; F343-F454 AromaticContact CG-CZ 3.83Å; F343-F454 HydrophobicContact CG-CZ 3.83Å; F343-F454 HydrophobicContact CZ-CE2 4.07Å; F343-F454 AromaticContact CZ-CZ 3.82Å; F343-F454 HydrophobicContact CZ-CZ 3.82Å; F343-F548 HydrophobicContact CB-CE1 4.34Å; F343-F548 HydrophobicContact CB-CZ 4.23Å; F343-F548 HydrophobicContact CD2-CZ 4.35Å; F343-M552 HydrophobicContact CD2-CG 4.13Å; F343-M552 HydrophobicContact CD2-SD 3.56Å; F343-M552 VanDerWaalsContact CD2-SD 3.56Å; F343-M552 HydrophobicContact CE2-SD 3.6Å; F343-M552 VanDerWaalsContact CE2-SD 3.6Å; F343-L556 HydrophobicContact CE2-CD2 4.3Å; F343-L556 HydrophobicContact CZ-CD2 4.35Å
344	C	98.2	Very high	96.6	Very high	3 Å²	3	34 Å²	34	2%	0.02	18%	0.183	C	C	.	.	H	α-helix	trans	-61.8	-38.7	177.4	-70.2	0	0	0	0	112	L340 K341 C348 L416 P420	L340-C344 WeakPolarHBondContact O-CB 3.43Å; L340-C344 PolarHBondContact O-N 3.43Å; L340-C344 PolarHBondContact O-SG 2.9Å; K341-C344 PolarHBondContact O-N 3.42Å; C344-C348 WeakPolarHBondContact O-CB 3.44Å; C344-C348 PolarHBondContact O-N 3.39Å; C344-L416 HydrophobicContact CB-CB 4.43Å; C344-L416 HydrophobicContact CB-CD2 4.32Å; C344-L416 WeakPolarHBondContact CB-O 3.23Å; C344-P420 HydrophobicContact CB-CG 4.29Å
345	E	97.7	Very high	96.6	Very high	90 Å²	90	34.7 Å²	34.7	42%	0.421	19%	0.188	S	C	.	.	H	α-helix	trans	-60.9	-52.8	172.8	-73.2	169.7	-176.3	0	0	111.4	K341 F343 L347 C348 E349	K341-E345 WeakPolarHBondContact CE-OE1 3.49Å; K341-E345 WeakPolarHBondContact CG-OE1 3.37Å; K341-E345 WeakPolarHBondContact O-CB 3.45Å; K341-E345 WeakPolarHBondContact O-CG 3.23Å; K341-E345 PolarHBondContact O-N 3.48Å; F343-E345 VanDerWaalsContact C-N 3.3Å; F343-E345 PolarHBondContact O-N 3.13Å; E345-L347 PolarHBondContact O-N 3.28Å; E345-C348 PolarHBondContact O-N 3.32Å; E345-E349 WeakPolarHBondContact O-CG 3.36Å; E345-E349 PolarHBondContact O-N 2.89Å
346	K	97.8	Very high	96.5	Very high	27 Å²	27	33.6 Å²	33.6	12%	0.117	19%	0.185	C	C	.	.	H	α-helix	trans	-62.5	-41.7	177.6	-69.5	-54.5	104.3	-176.8	0	113.1	V342 F343 C348 E349 H350 T549 M552 N553 L556	V342-K346 WeakPolarHBondContact O-CG 3.09Å; V342-K346 PolarHBondContact O-N 3.13Å; F343-K346 PolarHBondContact O-N 3.35Å; K346-C348 VanDerWaalsContact C-N 3.32Å; K346-E349 WeakPolarHBondContact CE-OE1 3.45Å; K346-E349 WeakPolarHBondContact CE-OE2 3.01Å; K346-E349 IonicContact NZ-OE1 2.74Å; K346-E349 PolarHBondContact NZ-OE1 3.24Å; K346-E349 IonicContact NZ-OE2 2.84Å; K346-E349 PolarHBondContact NZ-OE2 3.47Å; K346-E349 PolarHBondContact O-N 3.47Å; K346-H350 PolarHBondContact O-CD2 2.96Å; K346-H350 PolarHBondContact O-N 3.09Å; K346-H350 VanDerWaalsContact O-N 3.09Å; K346-T549 HydrophobicContact CD-CG2 3.7Å; K346-T549 HydrophobicContact CG-CG2 4.25Å; K346-M552 HydrophobicContact CB-CB 4.25Å; K346-M552 HydrophobicContact CG-CB 4.16Å; K346-N553 WeakPolarHBondContact CD-OD1 3.24Å; K346-L556 HydrophobicContact CB-CD1 4.38Å
347	L	98.1	Very high	96.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.8	-37.6	177.6	-179.3	59.8	0	0	0	111.2	F326 F343 E345 L351 L354 F364 L416 L556	F326-L347 HydrophobicContact CD2-CD2 4.12Å; F326-L347 HydrophobicContact CE1-CD2 4.36Å; F326-L347 HydrophobicContact CE2-CD1 4.36Å; F326-L347 HydrophobicContact CE2-CD2 3.92Å; F326-L347 HydrophobicContact CG-CD2 4.43Å; F326-L347 HydrophobicContact CZ-CD1 3.96Å; F326-L347 HydrophobicContact CZ-CD2 4.05Å; F343-L347 HydrophobicContact CE1-CB 4.09Å; F343-L347 HydrophobicContact CE1-CD2 3.69Å; F343-L347 HydrophobicContact CE1-CG 4.46Å; F343-L347 HydrophobicContact CZ-CB 4.19Å; F343-L347 HydrophobicContact CZ-CD2 4.06Å; F343-L347 VanDerWaalsContact O-CB 3.32Å; F343-L347 WeakPolarHBondContact O-CB 3.5Å; F343-L347 PolarHBondContact O-N 2.85Å; E345-L347 PolarHBondContact O-N 3.28Å; L347-L351 HydrophobicContact CD1-CD1 4.23Å; L347-L351 HydrophobicContact CG-CD1 4.32Å; L347-L351 WeakPolarHBondContact O-CA 3.46Å; L347-L351 WeakPolarHBondContact O-CB 3.42Å; L347-L351 PolarHBondContact O-N 3.08Å; L347-L354 HydrophobicContact CD1-CD1 4Å; L347-L354 HydrophobicContact CD1-CD2 4.24Å; L347-F364 HydrophobicContact CD2-CE1 3.78Å; L347-F364 HydrophobicContact CD2-CZ 4.33Å; L347-L416 HydrophobicContact CB-CD1 4.34Å; L347-L416 HydrophobicContact CD2-CD1 4.12Å; L347-L416 HydrophobicContact CD2-CD2 3.98Å; L347-L416 HydrophobicContact CG-CD1 3.95Å; L347-L556 HydrophobicContact CB-CD1 4.4Å; L347-L556 HydrophobicContact CD1-CD1 4.33Å; L347-L556 HydrophobicContact CD1-CD2 3.96Å
348	C	97.5	Very high	96.3	Very high	19 Å²	19	37.5 Å²	37.5	13%	0.128	20%	0.204	C	C	.	.	H	α-helix	trans	-64.9	-47.2	173.7	-169.4	0	0	0	0	111	C344 E345 K346 H350 L351 R413 L416	C344-C348 WeakPolarHBondContact O-CB 3.44Å; C344-C348 PolarHBondContact O-N 3.39Å; E345-C348 PolarHBondContact O-N 3.32Å; K346-C348 VanDerWaalsContact C-N 3.32Å; C348-H350 VanDerWaalsContact C-N 3.33Å; C348-H350 PolarHBondContact O-N 3.22Å; C348-L351 PolarHBondContact O-N 2.99Å; C348-R413 PolarHBondContact O-NH1 3.01Å; C348-L416 HydrophobicContact CB-CD1 4.15Å
349	E	97	Very high	96.1	Very high	110 Å²	110	41.1 Å²	41.1	51%	0.514	22%	0.219	S	C	.	.	H	α-helix	trans	-53.5	-47.5	175.6	-74.7	172.9	-160.4	0	0	112.7	E345 K346	E345-E349 WeakPolarHBondContact O-CG 3.36Å; E345-E349 PolarHBondContact O-N 2.89Å; K346-E349 WeakPolarHBondContact CE-OE1 3.45Å; K346-E349 WeakPolarHBondContact CE-OE2 3.01Å; K346-E349 IonicContact NZ-OE1 2.74Å; K346-E349 PolarHBondContact NZ-OE1 3.24Å; K346-E349 IonicContact NZ-OE2 2.84Å; K346-E349 PolarHBondContact NZ-OE2 3.47Å; K346-E349 PolarHBondContact O-N 3.47Å
350	H	96.6	Very high	96.1	Very high	33 Å²	33	41.1 Å²	41.1	15%	0.153	22%	0.219	C	C	.	.	H	α-helix	trans	-93.2	4.2	-172.5	-62.7	-52	0	0	0	115.1	K346 C348 S352 A353 L354 N553 L556 L557	K346-H350 PolarHBondContact O-CD2 2.96Å; K346-H350 PolarHBondContact O-N 3.09Å; K346-H350 VanDerWaalsContact O-N 3.09Å; C348-H350 VanDerWaalsContact C-N 3.33Å; C348-H350 PolarHBondContact O-N 3.22Å; H350-S352 PolarHBondContact O-N 3.35Å; H350-A353 CarbonylContact O-C 3.5Å; H350-A353 WeakPolarHBondContact O-CA 3.48Å; H350-A353 PolarHBondContact O-N 2.89Å; H350-L354 PolarHBondContact O-N 2.63Å; H350-L354 VanDerWaalsContact O-N 3.13Å; H350-N553 PolarHBondContact NE2-OD1 2.9Å; H350-L556 HydrophobicContact CB-CB 4.44Å; H350-L556 HydrophobicContact CB-CD1 4.38Å; H350-L557 HydrophobicContact CB-CD2 3.91Å; H350-L557 HydrophobicContact CB-CG 4.42Å
351	L	96	Very high	96.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-55.3	-45.9	-167.1	-164.2	66.5	0	0	0	113.9	L347 C348 A353 L354 I362 L405 E409 V412 R413	L347-L351 HydrophobicContact CD1-CD1 4.23Å; L347-L351 HydrophobicContact CG-CD1 4.32Å; L347-L351 WeakPolarHBondContact O-CA 3.46Å; L347-L351 WeakPolarHBondContact O-CB 3.42Å; L347-L351 PolarHBondContact O-N 3.08Å; C348-L351 PolarHBondContact O-N 2.99Å; L351-A353 PolarHBondContact O-N 2.74Å; L351-L354 HydrophobicContact CD1-CD1 3.99Å; L351-L354 WeakPolarHBondContact O-CG 3.42Å; L351-L354 PolarHBondContact O-N 2.76Å; L351-I362 HydrophobicContact CD1-CD1 4.05Å; L351-L405 HydrophobicContact CD1-CD1 3.69Å; L351-L405 HydrophobicContact CD2-CD1 4.28Å; L351-L405 HydrophobicContact CG-CD1 3.84Å; L351-E409 HydrophobicContact CD2-CG 3.63Å; L351-E409 HydrophobicContact CG-CG 4.14Å; L351-V412 HydrophobicContact CD1-CG1 3.96Å; L351-V412 HydrophobicContact CD2-CB 3.97Å; L351-V412 HydrophobicContact CD2-CG1 3.6Å; L351-V412 HydrophobicContact CG-CG1 4.44Å; L351-R413 HydrophobicContact CD2-CG 3.66Å
352	S	94.5	Very high	96.1	Very high	62 Å²	62	36.9 Å²	36.9	43%	0.434	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-72.1	-14.6	178.3	-43.3	0	0	0	0	113.9	H350 E409 R413	H350-S352 PolarHBondContact O-N 3.35Å; S352-E409 WeakPolarHBondContact CB-OE2 3.34Å; S352-E409 PolarHBondContact OG-OE1 3.38Å; S352-E409 PolarHBondContact OG-OE2 2.98Å; S352-R413 PolarHBondContact OG-NH2 2.72Å
353	A	95.2	Very high	96.2	Very high	59 Å²	59	36.3 Å²	36.3	49%	0.488	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-108.2	6	-176.9	0	0	0	0	0	112.7	H350 L351 L557	H350-A353 CarbonylContact O-C 3.5Å; H350-A353 WeakPolarHBondContact O-CA 3.48Å; H350-A353 PolarHBondContact O-N 2.89Å; L351-A353 PolarHBondContact O-N 2.74Å; A353-L557 HydrophobicContact CB-CD2 3.57Å; A353-L557 WeakPolarHBondContact O-CD2 3.43Å
354	L	96.3	Very high	96.2	Very high	10 Å²	10	36.4 Å²	36.4	5%	0.052	20%	0.199	C	C	.	.	S	Bend	trans	-58.2	135.1	169.4	-71.3	178.3	0	0	0	109.8	L347 H350 L351 G356 L405 L556	L347-L354 HydrophobicContact CD1-CD1 4Å; L347-L354 HydrophobicContact CD1-CD2 4.24Å; H350-L354 PolarHBondContact O-N 2.63Å; H350-L354 VanDerWaalsContact O-N 3.13Å; L351-L354 HydrophobicContact CD1-CD1 3.99Å; L351-L354 WeakPolarHBondContact O-CG 3.42Å; L351-L354 PolarHBondContact O-N 2.76Å; L354-G356 PolarHBondContact O-N 3.34Å; L354-G356 VanDerWaalsContact O-N 3.08Å; L354-L405 HydrophobicContact CB-CD2 4.36Å; L354-L405 HydrophobicContact CD1-CD2 3.93Å; L354-L556 HydrophobicContact CD2-CB 3.99Å; L354-L556 HydrophobicContact CD2-CD2 4.07Å
355	P	96	Very high	96.2	Very high	15 Å²	15	36.3 Å²	36.3	10%	0.097	20%	0.198	C	C	.	.	S	Bend	trans	-58.5	115.4	177.2	-22.3	29.6	0	0	0	111.2	Y324 L556 R558 I560	Y324-P355 WeakPolarHBondContact CE2-O 3.49Å; Y324-P355 PolarHBondContact OH-O 3.47Å; P355-L556 WeakPolarHBondContact CD-O 3.47Å; P355-R558 VanDerWaalsContact CG-O 3.25Å; P355-R558 WeakPolarHBondContact CG-O 3.39Å; P355-I560 HydrophobicContact CB-CG2 4.02Å; P355-I560 HydrophobicContact CG-CG2 4.44Å
356	G	94	Very high	96.2	Very high	11 Å²	11	32.1 Å²	32.1	11%	0.113	18%	0.178	C	C	.	.			trans	-179.5	174.4	-171.9	0	0	0	0	0	113	L354 T360 S628 H629	L354-G356 PolarHBondContact O-N 3.34Å; L354-G356 VanDerWaalsContact O-N 3.08Å; G356-T360 WeakPolarHBondContact CA-OG1 3.13Å; G356-S628 CarbonylContact C-O 3.6Å; G356-S628 VanDerWaalsContact CA-O 3.23Å; G356-S628 WeakPolarHBondContact CA-O 3.38Å; G356-H629 PolarHBondContact O-CE1 3.26Å; G356-H629 PolarHBondContact O-ND1 2.97Å
357	D	91.5	Very high	96.2	Very high	46 Å²	46	30.8 Å²	30.8	25%	0.246	17%	0.173	C	C	.	.			trans	-120	-177.3	166.1	56.4	37.6	0	0	0	110.7	D359 T360 H406	D357-D359 PolarHBondContact O-N 2.83Å; D357-D359 PolarHBondContact OD1-N 3.11Å; D357-T360 PolarHBondContact N-OG1 3.23Å; D357-T360 VanDerWaalsContact O-CB 3.27Å; D357-T360 WeakPolarHBondContact O-CB 3.46Å; D357-T360 PolarHBondContact O-N 2.86Å; D357-T360 PolarHBondContact O-OG1 3.25Å; D357-H406 PolarHBondContact O-CD2 2.83Å; D357-H406 PolarHBondContact O-NE2 2.91Å
358	E	92.5	Very high	96.2	Very high	151 Å²	151	31.3 Å²	31.3	71%	0.706	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-19.6	-174.6	-61.3	-174.1	178.1	0	0	115
359	D	93.4	Very high	96.1	Very high	93 Å²	93	32.7 Å²	32.7	50%	0.497	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	7.8	179.8	-71.1	-37	0	0	0	113.3	P321 D357 L361 K407	P321-D359 HydrophobicContact CB-CB 4.1Å; P321-D359 WeakPolarHBondContact CB-O 3.29Å; D357-D359 PolarHBondContact O-N 2.83Å; D357-D359 PolarHBondContact OD1-N 3.11Å; D359-L361 PolarHBondContact O-N 2.92Å; D359-K407 IonicContact OD1-NZ 3.68Å; D359-K407 PolarHBondContact OD1-NZ 2.79Å
360	T	96.5	Very high	96.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.164	C	C	.	.			trans	-50.8	129.5	173.7	-60.9	0	0	0	0	112	A322 Y324 G356 D357 P404 L405	A322-T360 HydrophobicContact CB-CG2 4.25Å; A322-T360 CarbonylContact O-C 3.59Å; A322-T360 WeakPolarHBondContact O-CA 3.43Å; Y324-T360 HydrophobicContact CD2-CG2 3.9Å; Y324-T360 HydrophobicContact CE2-CG2 3.9Å; G356-T360 WeakPolarHBondContact CA-OG1 3.13Å; D357-T360 PolarHBondContact N-OG1 3.23Å; D357-T360 VanDerWaalsContact O-CB 3.27Å; D357-T360 WeakPolarHBondContact O-CB 3.46Å; D357-T360 PolarHBondContact O-N 2.86Å; D357-T360 PolarHBondContact O-OG1 3.25Å; T360-P404 CarbonylContact O-C 3.49Å; T360-L405 HydrophobicContact CG2-CB 4.14Å; T360-L405 HydrophobicContact CG2-CD2 3.81Å; T360-L405 WeakPolarHBondContact O-CB 3.48Å; T360-L405 PolarHBondContact O-N 3.47Å
361	L	96.9	Very high	96.2	Very high	31 Å²	31	26.2 Å²	26.2	16%	0.162	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	140.5	178.7	-60.1	179.4	0	0	0	111.1	A322 C323 Y324 D359 L402 A403 P404	A322-L361 PolarHBondContact O-N 2.89Å; C323-L361 WeakPolarHBondContact CA-O 3.36Å; C323-L361 HydrophobicContact CB-CB 4.27Å; Y324-L361 PolarHBondContact N-O 3.31Å; D359-L361 PolarHBondContact O-N 2.92Å; L361-L402 HydrophobicContact CD1-CD1 4.27Å; L361-A403 WeakPolarHBondContact CA-O 3.42Å; L361-P404 HydrophobicContact CD2-CB 4.44Å; L361-P404 HydrophobicContact CD2-CG 4.3Å
362	I	97.8	Very high	96.3	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	143.1	174.1	-165	163.6	0	0	0	111.1	Y324 F326 L351 F364 A403 L405 V412	Y324-I362 CarbonylContact O-C 3.58Å; Y324-I362 WeakPolarHBondContact O-CA 3.48Å; F326-I362 HydrophobicContact CD2-CD1 4.35Å; F326-I362 HydrophobicContact CD2-CG1 4.21Å; F326-I362 HydrophobicContact CE2-CD1 3.77Å; F326-I362 HydrophobicContact CE2-CG1 3.89Å; L351-I362 HydrophobicContact CD1-CD1 4.05Å; I362-F364 HydrophobicContact CD1-CE1 4.15Å; I362-F364 HydrophobicContact CD1-CE2 4.08Å; I362-F364 HydrophobicContact CD1-CZ 3.46Å; I362-F364 VanDerWaalsContact CD1-CZ 3.46Å; I362-F364 HydrophobicContact CG1-CE1 4.34Å; I362-F364 HydrophobicContact CG1-CE2 3.98Å; I362-F364 HydrophobicContact CG1-CZ 3.75Å; I362-F364 HydrophobicContact CG2-CE2 4.36Å; I362-A403 HydrophobicContact CG2-CB 4.04Å; I362-A403 PolarHBondContact N-O 3.27Å; I362-A403 PolarHBondContact O-N 3.26Å; I362-L405 HydrophobicContact CB-CB 4.46Å; I362-L405 HydrophobicContact CB-CD1 4.26Å; I362-L405 HydrophobicContact CD1-CD1 3.95Å; I362-L405 HydrophobicContact CG2-CB 4.25Å; I362-L405 HydrophobicContact CG2-CD1 3.92Å; I362-V412 HydrophobicContact CD1-CG1 4.41Å; I362-V412 HydrophobicContact CG2-CG2 4.05Å
363	C	98	Very high	96.5	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.007	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	147.9	177	-165.6	0	0	0	0	111.1	Y324 V325 F326 V401 L402 L443	Y324-C363 PolarHBondContact O-N 3.27Å; V325-C363 WeakPolarHBondContact CA-O 3.29Å; V325-C363 HydrophobicContact CB-CB 4.36Å; V325-C363 HydrophobicContact CG1-CB 4.18Å; V325-C363 HydrophobicContact CG2-CB 4.03Å; F326-C363 PolarHBondContact N-O 2.89Å; C363-V401 PolarHBondContact SG-O 3.35Å; C363-L402 HydrophobicContact CB-CD2 3.59Å; C363-L443 VanDerWaalsContact SG-CD2 3.58Å
364	F	98.3	Very high	96.6	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.009	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	133.2	177.3	-57.8	-77.3	0	0	0	109.8	F326 F328 L347 I362 F374 L376 V412 F415 L416	F326-F364 HydrophobicContact CB-CD1 4.09Å; F326-F364 HydrophobicContact CD2-CD1 4.01Å; F326-F364 AromaticContact CD2-CE1 3.7Å; F326-F364 HydrophobicContact CD2-CE1 3.7Å; F326-F364 HydrophobicContact CE2-CE1 4.38Å; F326-F364 HydrophobicContact CG-CD1 4.43Å; F326-F364 HydrophobicContact CG-CE1 4.37Å; F328-F364 HydrophobicContact CE2-CD1 4.02Å; F328-F364 HydrophobicContact CZ-CD1 4.36Å; L347-F364 HydrophobicContact CD2-CE1 3.78Å; L347-F364 HydrophobicContact CD2-CZ 4.33Å; I362-F364 HydrophobicContact CD1-CE1 4.15Å; I362-F364 HydrophobicContact CD1-CE2 4.08Å; I362-F364 HydrophobicContact CD1-CZ 3.46Å; I362-F364 VanDerWaalsContact CD1-CZ 3.46Å; I362-F364 HydrophobicContact CG1-CE1 4.34Å; I362-F364 HydrophobicContact CG1-CE2 3.98Å; I362-F364 HydrophobicContact CG1-CZ 3.75Å; I362-F364 HydrophobicContact CG2-CE2 4.36Å; F364-F374 HydrophobicContact CB-CD2 4Å; F364-F374 WeakPolarHBondContact O-CD2 3.3Å; F364-L376 HydrophobicContact CD2-CD1 4.2Å; F364-L376 HydrophobicContact CE2-CD1 4.15Å; F364-V412 HydrophobicContact CE2-CG1 3.79Å; F364-V412 HydrophobicContact CE2-CG2 4.4Å; F364-V412 HydrophobicContact CZ-CG1 3.69Å; F364-F415 HydrophobicContact CB-CE1 3.71Å; F364-F415 HydrophobicContact CB-CZ 4.24Å; F364-F415 HydrophobicContact CD1-CE1 4.25Å; F364-F415 AromaticContact CD2-CD1 3.86Å; F364-F415 HydrophobicContact CD2-CD1 3.86Å; F364-F415 AromaticContact CD2-CE1 3.58Å; F364-F415 HydrophobicContact CD2-CE1 3.58Å; F364-F415 HydrophobicContact CE2-CD1 4.11Å; F364-F415 HydrophobicContact CE2-CE1 4.24Å; F364-F415 HydrophobicContact CG-CD1 4.27Å; F364-F415 AromaticContact CG-CE1 3.57Å; F364-F415 HydrophobicContact CG-CE1 3.57Å; F364-L416 HydrophobicContact CD1-CD2 4.48Å; F364-L416 HydrophobicContact CE1-CD2 3.78Å; F364-L416 HydrophobicContact CZ-CD2 4.03Å; F364-L416 HydrophobicContact CZ-CG 4.38Å
365	M	98.2	Very high	96.5	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.01	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	144.9	174.8	-67.6	172.1	59.8	0	0	108.7	V325 F326 V327 F328 H372 F373 A436 A439 A440	V325-M365 HydrophobicContact CG1-CG 4.47Å; V325-M365 HydrophobicContact CG1-SD 3.92Å; F326-M365 PolarHBondContact O-N 3.22Å; F326-M365 VanDerWaalsContact O-O 3.09Å; V327-M365 WeakPolarHBondContact CA-O 3.49Å; V327-M365 HydrophobicContact CG2-CB 4.24Å; V327-M365 HydrophobicContact CG2-SD 4.38Å; F328-M365 VanDerWaalsContact CD2-O 3.25Å; F328-M365 WeakPolarHBondContact CD2-O 3.39Å; F328-M365 PolarHBondContact N-O 3.39Å; M365-H372 CarbonylContact C-O 3.55Å; M365-H372 VanDerWaalsContact CA-O 3.23Å; M365-H372 WeakPolarHBondContact CA-O 3.48Å; M365-F373 HydrophobicContact CE-CD1 4.25Å; M365-F373 HydrophobicContact CE-CE1 3.57Å; M365-F373 HydrophobicContact CE-CZ 3.97Å; M365-F373 HydrophobicContact CG-CD1 3.84Å; M365-F373 HydrophobicContact CG-CE1 4.1Å; M365-F373 HydrophobicContact SD-CD1 4.15Å; M365-F373 HydrophobicContact SD-CE1 3.83Å; M365-A436 WeakPolarHBondContact CE-O 3.44Å; M365-A439 HydrophobicContact CE-CB 3.93Å; M365-A440 HydrophobicContact CE-CB 4.16Å; M365-A440 HydrophobicContact SD-CB 3.8Å
366	A	98.2	Very high	96.4	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.008	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	156.5	166.2	0	0	0	0	0	109.7	F328 V330 H372 F374 F423	F328-A366 HydrophobicContact CB-CB 4.31Å; F328-A366 CarbonylContact O-C 3.58Å; F328-A366 VanDerWaalsContact O-CA 3.29Å; F328-A366 WeakPolarHBondContact O-CA 3.48Å; V330-A366 HydrophobicContact CG1-CB 3.8Å; V330-A366 HydrophobicContact CG2-CB 3.87Å; A366-H372 HydrophobicContact CB-CB 4Å; A366-H372 PolarHBondContact N-O 3.39Å; A366-H372 WeakPolarHBondContact O-CB 3.34Å; A366-H372 PolarHBondContact O-CD2 3.17Å; A366-H372 PolarHBondContact O-N 3.11Å; A366-F374 HydrophobicContact CB-CE2 4.15Å; A366-F374 HydrophobicContact CB-CZ 4.44Å; A366-F423 HydrophobicContact CB-CE2 3.94Å; A366-F423 HydrophobicContact CB-CZ 3.75Å
367	V	98.2	Very high	96.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	131.9	-177.2	54.5	0	0	0	0	111	V327 F328 V330 A370 L371 L431 A432 A436	V327-V367 HydrophobicContact CG1-CG1 3.95Å; F328-V367 WeakPolarHBondContact O-CG1 3.24Å; F328-V367 PolarHBondContact O-N 3.42Å; V330-V367 PolarHBondContact N-O 3.37Å; V367-A370 WeakPolarHBondContact CA-O 3.37Å; V367-L371 HydrophobicContact CB-CD2 4.48Å; V367-L371 HydrophobicContact CG2-CD2 3.99Å; V367-L431 HydrophobicContact CB-CD1 4.49Å; V367-L431 HydrophobicContact CG1-CD1 4.02Å; V367-L431 HydrophobicContact CG2-CD1 4.06Å; V367-L431 WeakPolarHBondContact O-CD1 3.48Å; V367-A432 HydrophobicContact CG2-CB 4.02Å; V367-A436 HydrophobicContact CB-CB 3.75Å; V367-A436 HydrophobicContact CG1-CB 3.93Å; V367-A436 HydrophobicContact CG2-CB 3.8Å
368	D	97.2	Very high	95.9	Very high	11 Å²	11	27 Å²	27	6%	0.059	15%	0.146	C	C	.	.	S	Bend	trans	-140	-124.3	167.4	66.8	-7.2	0	0	0	108.3	V330 A370 H372 H430 L431 A432	V330-D368 HydrophobicContact CG2-CB 4.03Å; D368-A370 PolarHBondContact N-O 2.8Å; D368-A370 VanDerWaalsContact N-O 3.12Å; D368-A370 PolarHBondContact O-N 2.84Å; D368-A370 PolarHBondContact OD1-N 3.2Å; D368-H372 IonicContact OD1-CD2 3.76Å; D368-H372 IonicContact OD1-NE2 3.67Å; D368-H372 PolarHBondContact OD1-NE2 2.81Å; D368-H372 IonicContact OD2-NE2 3.67Å; D368-H372 PolarHBondContact OD2-NE2 3.45Å; D368-H372 VanDerWaalsContact OD2-NE2 3.07Å; D368-H430 CarbonylContact C-O 3.54Å; D368-L431 CarbonylContact O-C 3.54Å; D368-L431 WeakPolarHBondContact O-CA 3.41Å; D368-A432 PolarHBondContact O-N 3.16Å
369	S	97	Very high	95.4	Very high	48 Å²	48	23.7 Å²	23.7	34%	0.336	15%	0.153	S	C	.	.	S	Bend	trans	-63.9	-13.7	161.9	38.3	0	0	0	0	115	V390 S428 H430	S369-V390 WeakPolarHBondContact O-CG1 3.31Å; S369-S428 WeakPolarHBondContact CB-OG 3.5Å; S369-S428 PolarHBondContact N-OG 3Å; S369-S428 WeakPolarHBondContact OG-CB 3.34Å; S369-S428 PolarHBondContact OG-OG 2.88Å; S369-H430 PolarHBondContact N-O 3.27Å
370	A	97.1	Very high	95.1	Very high	7 Å²	7	23.1 Å²	23.1	6%	0.058	16%	0.155	C	C	.	.	S	Bend	trans	-131.5	163.5	178.8	0	0	0	0	0	111.6	V367 D368 H372 V386	V367-A370 WeakPolarHBondContact CA-O 3.37Å; D368-A370 PolarHBondContact N-O 2.8Å; D368-A370 VanDerWaalsContact N-O 3.12Å; D368-A370 PolarHBondContact O-N 2.84Å; D368-A370 PolarHBondContact OD1-N 3.2Å; A370-H372 PolarHBondContact O-CD2 3.49Å; A370-H372 PolarHBondContact O-NE2 2.9Å; A370-V386 HydrophobicContact CB-CG1 3.84Å
371	L	98	Very high	94.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	126.7	168.2	-51.8	-175.4	0	0	0	109.7	V367 F373 M387 V390 Y393 A432 A436 A439	V367-L371 HydrophobicContact CB-CD2 4.48Å; V367-L371 HydrophobicContact CG2-CD2 3.99Å; L371-F373 HydrophobicContact CB-CE2 3.92Å; L371-F373 HydrophobicContact CB-CZ 4.5Å; L371-M387 HydrophobicContact CB-CB 4.29Å; L371-M387 PolarHBondContact N-O 2.98Å; L371-M387 PolarHBondContact O-N 3.01Å; L371-V390 HydrophobicContact CD2-CG1 4.46Å; L371-V390 HydrophobicContact CG-CG1 4.21Å; L371-Y393 HydrophobicContact CD1-CD1 3.64Å; L371-Y393 HydrophobicContact CD1-CD2 4.26Å; L371-Y393 HydrophobicContact CD1-CE1 4.21Å; L371-Y393 HydrophobicContact CD1-CG 3.68Å; L371-A432 HydrophobicContact CD2-CB 4.37Å; L371-A436 HydrophobicContact CD2-CB 3.7Å; L371-A439 HydrophobicContact CD1-CB 4.12Å
372	H	97.6	Very high	94.3	Very high	26 Å²	26	35.3 Å²	35.3	12%	0.12	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	119.6	-178.8	-56	-91.7	0	0	0	109.6	M365 A366 D368 A370 F374 H384 L385 F423	M365-H372 CarbonylContact C-O 3.55Å; M365-H372 VanDerWaalsContact CA-O 3.23Å; M365-H372 WeakPolarHBondContact CA-O 3.48Å; A366-H372 HydrophobicContact CB-CB 4Å; A366-H372 PolarHBondContact N-O 3.39Å; A366-H372 WeakPolarHBondContact O-CB 3.34Å; A366-H372 PolarHBondContact O-CD2 3.17Å; A366-H372 PolarHBondContact O-N 3.11Å; D368-H372 IonicContact OD1-CD2 3.76Å; D368-H372 IonicContact OD1-NE2 3.67Å; D368-H372 PolarHBondContact OD1-NE2 2.81Å; D368-H372 IonicContact OD2-NE2 3.67Å; D368-H372 PolarHBondContact OD2-NE2 3.45Å; D368-H372 VanDerWaalsContact OD2-NE2 3.07Å; A370-H372 PolarHBondContact O-CD2 3.49Å; A370-H372 PolarHBondContact O-NE2 2.9Å; H372-F374 HydrophobicContact CB-CE2 4.41Å; H372-F374 HydrophobicContact CB-CZ 4.27Å; H372-H384 AromaticContact CG-NE2 3.59Å; H372-H384 AromaticContact ND1-CE1 3.56Å; H372-H384 AromaticContact ND1-NE2 2.94Å; H372-H384 PolarHBondContact ND1-NE2 3.06Å; H372-L385 WeakPolarHBondContact CA-O 3.49Å; H372-F423 HydrophobicContact CB-CZ 4.48Å
373	F	97.8	Very high	94.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	149.4	173.8	-57	-98.6	0	0	0	110.4	M365 L371 L385 M387 L395 P396 V401 A439	M365-F373 HydrophobicContact CE-CD1 4.25Å; M365-F373 HydrophobicContact CE-CE1 3.57Å; M365-F373 HydrophobicContact CE-CZ 3.97Å; M365-F373 HydrophobicContact CG-CD1 3.84Å; M365-F373 HydrophobicContact CG-CE1 4.1Å; M365-F373 HydrophobicContact SD-CD1 4.15Å; M365-F373 HydrophobicContact SD-CE1 3.83Å; L371-F373 HydrophobicContact CB-CE2 3.92Å; L371-F373 HydrophobicContact CB-CZ 4.5Å; F373-L385 HydrophobicContact CB-CB 4.29Å; F373-L385 PolarHBondContact N-O 2.82Å; F373-L385 PolarHBondContact O-N 2.81Å; F373-M387 HydrophobicContact CD2-CG 4.33Å; F373-M387 HydrophobicContact CE2-CG 4.07Å; F373-L395 HydrophobicContact CE1-CD2 4.27Å; F373-L395 HydrophobicContact CZ-CD2 4.04Å; F373-P396 HydrophobicContact CB-CG 4.09Å; F373-P396 HydrophobicContact CD1-CG 3.73Å; F373-P396 HydrophobicContact CD2-CG 4.23Å; F373-P396 HydrophobicContact CE1-CG 4.15Å; F373-P396 HydrophobicContact CG-CG 3.77Å; F373-V401 HydrophobicContact CB-CG1 4.23Å; F373-A439 HydrophobicContact CE1-CB 4.46Å; F373-A439 HydrophobicContact CZ-CB 4.01Å
374	F	97.2	Very high	94	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.009	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	117.7	180	-57.4	-79.3	0	0	0	110.7	F364 A366 H372 K383 H384 F415 L419 L422 F423	F364-F374 HydrophobicContact CB-CD2 4Å; F364-F374 WeakPolarHBondContact O-CD2 3.3Å; A366-F374 HydrophobicContact CB-CE2 4.15Å; A366-F374 HydrophobicContact CB-CZ 4.44Å; H372-F374 HydrophobicContact CB-CE2 4.41Å; H372-F374 HydrophobicContact CB-CZ 4.27Å; F374-K383 WeakPolarHBondContact CA-O 3.39Å; F374-H384 HydrophobicContact CD1-CB 4.42Å; F374-H384 HydrophobicContact CE1-CB 4.32Å; F374-H384 AromaticContact CE1-CD2 3.44Å; F374-H384 VanDerWaalsContact CE1-CD2 3.44Å; F374-H384 WeakPolarHBondContact CE1-CD2 3.49Å; F374-H384 AromaticContact CE1-CG 3.9Å; F374-H384 AromaticContact CE1-NE2 3.94Å; F374-H384 AromaticContact CZ-CD2 3.97Å; F374-F415 HydrophobicContact CB-CE1 4.42Å; F374-F415 HydrophobicContact CB-CE2 4.1Å; F374-F415 HydrophobicContact CB-CZ 3.75Å; F374-F415 AromaticContact CD1-CE2 3.6Å; F374-F415 HydrophobicContact CD1-CE2 3.6Å; F374-F415 AromaticContact CD1-CZ 3.69Å; F374-F415 HydrophobicContact CD1-CZ 3.69Å; F374-F415 HydrophobicContact CD2-CE1 4.49Å; F374-F415 HydrophobicContact CD2-CE2 4.4Å; F374-F415 AromaticContact CD2-CZ 3.64Å; F374-F415 HydrophobicContact CD2-CZ 3.64Å; F374-F415 HydrophobicContact CE1-CE2 4.11Å; F374-F415 HydrophobicContact CE1-CZ 4.18Å; F374-F415 HydrophobicContact CE2-CZ 4.15Å; F374-F415 HydrophobicContact CG-CE1 4.38Å; F374-F415 AromaticContact CG-CE2 3.76Å; F374-F415 HydrophobicContact CG-CE2 3.76Å; F374-F415 AromaticContact CG-CZ 3.38Å; F374-F415 HydrophobicContact CG-CZ 3.38Å; F374-F415 HydrophobicContact CZ-CZ 4.39Å; F374-L419 HydrophobicContact CE1-CD1 4.38Å; F374-L419 HydrophobicContact CE2-CD1 4.04Å; F374-L419 HydrophobicContact CZ-CD1 3.81Å; F374-L422 HydrophobicContact CE1-CD1 3.97Å; F374-F423 AromaticContact CZ-CE2 3.93Å; F374-F423 HydrophobicContact CZ-CE2 3.93Å; F374-F423 AromaticContact CZ-CZ 4Å; F374-F423 HydrophobicContact CZ-CZ 4Å
375	S	95.5	Very high	93.9	Very high	4 Å²	4	47.7 Å²	47.7	3%	0.028	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	114.1	171.5	177.7	0	0	0	0	109.6	P382 K383 D400	S375-P382 WeakPolarHBondContact O-CA 3.48Å; S375-K383 PolarHBondContact N-O 3.43Å; S375-K383 PolarHBondContact O-N 3.47Å; S375-D400 WeakPolarHBondContact CA-O 3.4Å; S375-D400 WeakPolarHBondContact CB-O 3.3Å; S375-D400 PolarHBondContact OG-O 2.99Å
376	L	93.3	Very high	93.8	Very high	14 Å²	14	50.7 Å²	50.7	7%	0.073	28%	0.281	C	S	.	.			trans	-95.3	135.8	174.9	-55.9	-179.5	0	0	0	108.3	F364 P382 A403 M408 V412 F415	F364-L376 HydrophobicContact CD2-CD1 4.2Å; F364-L376 HydrophobicContact CE2-CD1 4.15Å; L376-P382 HydrophobicContact CD2-CB 3.76Å; L376-P382 HydrophobicContact CD2-CG 3.71Å; L376-A403 HydrophobicContact CD1-CB 4.44Å; L376-M408 VanDerWaalsContact C-CE 3.48Å; L376-M408 HydrophobicContact CB-CE 3.39Å; L376-M408 WeakPolarHBondContact O-CE 3.38Å; L376-V412 HydrophobicContact CD1-CG2 3.71Å; L376-F415 HydrophobicContact CD1-CD1 4.37Å; L376-F415 HydrophobicContact CD2-CB 3.87Å; L376-F415 HydrophobicContact CD2-CD1 4.17Å; L376-F415 HydrophobicContact CD2-CD2 4.09Å; L376-F415 HydrophobicContact CD2-CG 3.76Å
377	K	88.9	Confident	93.7	Very high	86 Å²	86	52.9 Å²	52.9	37%	0.374	29%	0.292	S	S	.	.			trans	-143.4	138.9	173.4	-62.4	-165.8	-179.6	-156.9	0	109.3	G379 C380 D400	K377-G379 PolarHBondContact O-N 2.91Å; K377-C380 HydrophobicContact CB-CB 4.11Å; K377-C380 WeakPolarHBondContact O-CB 3.2Å; K377-C380 PolarHBondContact O-N 2.86Å; K377-D400 VanDerWaalsContact CE-OD1 3.24Å; K377-D400 WeakPolarHBondContact CE-OD1 3.31Å; K377-D400 IonicContact NZ-OD1 3.92Å; K377-D400 PolarHBondContact NZ-OD1 2.92Å
378	S	86.7	Confident	93.6	Very high	88 Å²	88	57.4 Å²	57.4	62%	0.615	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	135.9	-175	-171.3	0	0	0	0	112.2	C380 E411	S378-C380 PolarHBondContact O-N 2.92Å; S378-C380 VanDerWaalsContact O-N 3.14Å; S378-E411 WeakPolarHBondContact CA-OE1 3.39Å; S378-E411 VanDerWaalsContact CB-OE1 3.26Å; S378-E411 WeakPolarHBondContact CB-OE1 3.4Å; S378-E411 PolarHBondContact OG-OE1 3.21Å
379	G	82.4	Confident	93.5	Very high	81 Å²	81	63.7 Å²	63.7	84%	0.835	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	-2.7	-175.6	0	0	0	0	0	116.2	K377 E411	K377-G379 PolarHBondContact O-N 2.91Å; G379-E411 PolarHBondContact N-OE1 2.88Å
380	C	86	Confident	93.5	Very high	81 Å²	81	61.9 Å²	61.9	55%	0.547	34%	0.337	S	S	.	.	S	Bend	trans	-103.1	152.9	178.5	-69.6	0	0	0	0	111.4	K377 S378	K377-C380 HydrophobicContact CB-CB 4.11Å; K377-C380 WeakPolarHBondContact O-CB 3.2Å; K377-C380 PolarHBondContact O-N 2.86Å; S378-C380 PolarHBondContact O-N 2.92Å; S378-C380 VanDerWaalsContact O-N 3.14Å
381	R	85.8	Confident	93.3	Very high	231 Å²	231	66.3 Å²	66.3	87%	0.872	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-65.6	142.2	162.7	-69.2	-174.1	178.3	-171.7	-1.4	109.6	K383	R381-K383 PolarHBondContact O-N 2.89Å
382	P	91.9	Very high	93.1	Very high	55 Å²	55	72.7 Å²	72.7	36%	0.357	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-50.6	134	172	-29.2	36.8	0	0	0	111.9	S375 L376 F415	S375-P382 WeakPolarHBondContact O-CA 3.48Å; L376-P382 HydrophobicContact CD2-CB 3.76Å; L376-P382 HydrophobicContact CD2-CG 3.71Å; P382-F415 HydrophobicContact CB-CD2 3.97Å; P382-F415 HydrophobicContact CB-CE2 4.44Å; P382-F415 HydrophobicContact CG-CB 4.16Å; P382-F415 HydrophobicContact CG-CD2 3.8Å; P382-F415 HydrophobicContact CG-CG 4.35Å
383	K	94	Very high	92.9	Very high	130 Å²	130	72.6 Å²	72.6	57%	0.565	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	125.5	169.5	-59.1	-176.4	177.6	-173.4	0	109.2	F374 S375 R381	F374-K383 WeakPolarHBondContact CA-O 3.39Å; S375-K383 PolarHBondContact N-O 3.43Å; S375-K383 PolarHBondContact O-N 3.47Å; R381-K383 PolarHBondContact O-N 2.89Å
384	H	95.2	Very high	92.7	Very high	82 Å²	82	79 Å²	79	38%	0.38	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	120.6	172.9	-175	-163.1	0	0	0	108.8	H372 F374 V386	H372-H384 AromaticContact CG-NE2 3.59Å; H372-H384 AromaticContact ND1-CE1 3.56Å; H372-H384 AromaticContact ND1-NE2 2.94Å; H372-H384 PolarHBondContact ND1-NE2 3.06Å; F374-H384 HydrophobicContact CD1-CB 4.42Å; F374-H384 HydrophobicContact CE1-CB 4.32Å; F374-H384 AromaticContact CE1-CD2 3.44Å; F374-H384 VanDerWaalsContact CE1-CD2 3.44Å; F374-H384 WeakPolarHBondContact CE1-CD2 3.49Å; F374-H384 AromaticContact CE1-CG 3.9Å; F374-H384 AromaticContact CE1-NE2 3.94Å; F374-H384 AromaticContact CZ-CD2 3.97Å; H384-V386 WeakPolarHBondContact NE2-CG2 3.37Å
385	L	95.8	Very high	92.6	Very high	53 Å²	53	81.5 Å²	81.5	28%	0.277	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	116.6	179.6	-52.8	176.3	0	0	0	107.7	H372 F373 M387 P396	H372-L385 WeakPolarHBondContact CA-O 3.49Å; F373-L385 HydrophobicContact CB-CB 4.29Å; F373-L385 PolarHBondContact N-O 2.82Å; F373-L385 PolarHBondContact O-N 2.81Å; L385-M387 HydrophobicContact CB-CE 4.34Å; L385-P396 HydrophobicContact CD1-CB 3.92Å
386	V	96	Very high	92.5	Very high	64 Å²	64	82.1 Å²	82.1	39%	0.388	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	123.8	-174.5	-174	0	0	0	0	109.6	A370 H384	A370-V386 HydrophobicContact CB-CG1 3.84Å; H384-V386 WeakPolarHBondContact NE2-CG2 3.37Å
387	M	96.1	Very high	92.3	Very high	48 Å²	48	84.9 Å²	84.9	24%	0.236	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	100.1	176.5	-53.7	-57	167.5	0	0	108.9	L371 F373 L385	L371-M387 HydrophobicContact CB-CB 4.29Å; L371-M387 PolarHBondContact N-O 2.98Å; L371-M387 PolarHBondContact O-N 3.01Å; F373-M387 HydrophobicContact CD2-CG 4.33Å; F373-M387 HydrophobicContact CE2-CG 4.07Å; L385-M387 HydrophobicContact CB-CE 4.34Å
388	P	95.1	Very high	92.4	Very high	94 Å²	94	84.4 Å²	84.4	61%	0.61	46%	0.461	S	S	*	.			trans	-76.8	-21.9	179.7	31.1	-35	0	0	0	113	V390	P388-V390 PolarHBondContact O-N 3.04Å; P388-V390 VanDerWaalsContact O-N 3.13Å
389	E	96.2	Very high	92.5	Very high	144 Å²	144	85.8 Å²	85.8	67%	0.673	47%	0.466	S	S	*	.			trans	-82.5	87.1	176.9	-68.8	176.6	-163.8	0	0	109.3	Y393	E389-Y393 WeakPolarHBondContact O-CA 3.4Å; E389-Y393 WeakPolarHBondContact O-CB 3.47Å; E389-Y393 PolarHBondContact O-N 3.03Å
390	V	96.3	Very high	92.9	Very high	10 Å²	10	84.6 Å²	84.6	6%	0.061	44%	0.441	C	S	.	.			trans	-79.5	-14.9	-170.9	-63.9	0	0	0	0	115	S369 L371 P388 Y393 A432 S435 I461	S369-V390 WeakPolarHBondContact O-CG1 3.31Å; L371-V390 HydrophobicContact CD2-CG1 4.46Å; L371-V390 HydrophobicContact CG-CG1 4.21Å; P388-V390 PolarHBondContact O-N 3.04Å; P388-V390 VanDerWaalsContact O-N 3.13Å; V390-Y393 WeakPolarHBondContact O-CD1 3.44Å; V390-A432 HydrophobicContact CB-CB 3.74Å; V390-A432 HydrophobicContact CG1-CB 3.58Å; V390-A432 HydrophobicContact CG2-CB 4Å; V390-S435 WeakPolarHBondContact O-CB 3.4Å; V390-S435 PolarHBondContact O-OG 3.41Å; V390-I461 HydrophobicContact CG2-CD1 4.27Å
391	D	93.9	Very high	93.3	Very high	100 Å²	100	80.9 Å²	80.9	54%	0.535	42%	0.416	S	S	.	.	S	Bend	trans	-88.9	-33.2	178.6	-72	-63.3	0	0	0	113.1	G462 Q463	D391-G462 VanDerWaalsContact OD1-C 3.25Å; D391-G462 VanDerWaalsContact OD1-CA 3.28Å; D391-G462 WeakPolarHBondContact OD1-CA 3.24Å; D391-Q463 PolarHBondContact O-NE2 3.45Å; D391-Q463 PolarHBondContact OD1-N 2.83Å
392	D	93.4	Very high	93.8	Very high	134 Å²	134	70.7 Å²	70.7	72%	0.717	38%	0.378	S	S	*	.	S	Bend	trans	-130.3	54.8	-177.8	-164.1	19.3	0	0	0	110.9
393	Y	94.2	Very high	93.9	Very high	23 Å²	23	68.4 Å²	68.4	9%	0.09	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-73.3	145.5	-177.5	55.2	-92.4	0	0	0	112.4	L371 E389 V390 L395 S438 A439 Q442	L371-Y393 HydrophobicContact CD1-CD1 3.64Å; L371-Y393 HydrophobicContact CD1-CD2 4.26Å; L371-Y393 HydrophobicContact CD1-CE1 4.21Å; L371-Y393 HydrophobicContact CD1-CG 3.68Å; E389-Y393 WeakPolarHBondContact O-CA 3.4Å; E389-Y393 WeakPolarHBondContact O-CB 3.47Å; E389-Y393 PolarHBondContact O-N 3.03Å; V390-Y393 WeakPolarHBondContact O-CD1 3.44Å; Y393-L395 HydrophobicContact CD2-CD2 4.05Å; Y393-L395 HydrophobicContact CD2-CG 4.23Å; Y393-L395 HydrophobicContact CE2-CD2 3.85Å; Y393-L395 HydrophobicContact CE2-CG 4.05Å; Y393-S438 WeakPolarHBondContact OH-CB 3.43Å; Y393-A439 HydrophobicContact CD2-CB 4.15Å; Y393-A439 HydrophobicContact CE1-CB 4.49Å; Y393-A439 HydrophobicContact CE2-CB 3.57Å; Y393-A439 PolarHBondContact OH-N 3.21Å; Y393-Q442 PolarHBondContact OH-NE2 3.06Å; Y393-Q442 VanDerWaalsContact OH-NE2 3.14Å
394	I	93.3	Very high	94	Very high	136 Å²	136	64.2 Å²	64.2	70%	0.697	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-92.6	122.7	169.4	-59.4	172.7	0	0	0	108.8
395	L	94.1	Very high	94	Very high	54 Å²	54	60.3 Å²	60.3	28%	0.283	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-70.3	137.7	175.6	-73.5	175	0	0	0	111.8	F373 Y393 A439 Q442	F373-L395 HydrophobicContact CE1-CD2 4.27Å; F373-L395 HydrophobicContact CZ-CD2 4.04Å; Y393-L395 HydrophobicContact CD2-CD2 4.05Å; Y393-L395 HydrophobicContact CD2-CG 4.23Å; Y393-L395 HydrophobicContact CE2-CD2 3.85Å; Y393-L395 HydrophobicContact CE2-CG 4.05Å; L395-A439 HydrophobicContact CD2-CB 3.85Å; L395-Q442 HydrophobicContact CD1-CB 3.59Å
396	P	93	Very high	93.9	Very high	17 Å²	17	61.1 Å²	61.1	11%	0.11	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-66.1	160.2	165.7	30.8	-35.1	0	0	0	110.8	F373 L385 Q398 V401	F373-P396 HydrophobicContact CB-CG 4.09Å; F373-P396 HydrophobicContact CD1-CG 3.73Å; F373-P396 HydrophobicContact CD2-CG 4.23Å; F373-P396 HydrophobicContact CE1-CG 4.15Å; F373-P396 HydrophobicContact CG-CG 3.77Å; L385-P396 HydrophobicContact CD1-CB 3.92Å; P396-Q398 PolarHBondContact O-N 3.24Å; P396-V401 HydrophobicContact CB-CG1 3.92Å; P396-V401 HydrophobicContact CG-CG1 3.74Å; P396-V401 HydrophobicContact CG-CG2 4.04Å
397	C	91.1	Very high	93.8	Very high	72 Å²	72	64.3 Å²	64.3	49%	0.486	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-62.1	135	176.6	-167.8	0	0	0	0	110.7	T399 D400 V401	C397-T399 PolarHBondContact O-N 2.98Å; C397-T399 VanDerWaalsContact O-N 3.15Å; C397-T399 PolarHBondContact SG-OG1 2.83Å; C397-T399 VanDerWaalsContact SG-OG1 3.36Å; C397-D400 HydrophobicContact CB-CB 4.45Å; C397-D400 WeakPolarHBondContact O-CB 3.44Å; C397-D400 PolarHBondContact O-N 3.01Å; C397-V401 PolarHBondContact O-N 3.43Å
398	Q	90.7	Very high	93.6	Very high	76 Å²	76	63.1 Å²	63.1	36%	0.355	34%	0.337	S	S	.	.	H	α-helix	trans	-49.3	-43.1	177.5	-75.8	177.6	-15.8	0	0	112.2	P396 D400 V401 L402 L443	P396-Q398 PolarHBondContact O-N 3.24Å; Q398-D400 PolarHBondContact O-N 3.49Å; Q398-V401 PolarHBondContact O-N 2.92Å; Q398-L402 HydrophobicContact CB-CD1 4.14Å; Q398-L402 HydrophobicContact CG-CD1 4.38Å; Q398-L402 VanDerWaalsContact O-CB 3.26Å; Q398-L402 WeakPolarHBondContact O-CB 3.33Å; Q398-L402 WeakPolarHBondContact O-CG 3.39Å; Q398-L402 PolarHBondContact O-N 3.43Å; Q398-L443 HydrophobicContact CG-CD1 3.92Å; Q398-L443 WeakPolarHBondContact CG-O 3.41Å; Q398-L443 PolarHBondContact NE2-O 3.04Å
399	T	88.5	Confident	93.6	Very high	117 Å²	117	60.8 Å²	60.8	72%	0.718	32%	0.318	S	S	*	.	H	α-helix	trans	-72	-12.2	-178.4	58.7	0	0	0	0	114.5	C397	C397-T399 PolarHBondContact O-N 2.98Å; C397-T399 VanDerWaalsContact O-N 3.15Å; C397-T399 PolarHBondContact SG-OG1 2.83Å; C397-T399 VanDerWaalsContact SG-OG1 3.36Å
400	D	89.6	Confident	93.5	Very high	55 Å²	55	60.3 Å²	60.3	29%	0.294	31%	0.314	S	S	.	.	H	α-helix	trans	-88.2	-27.9	174.2	-78.4	-47.2	0	0	0	112.7	S375 K377 C397 Q398	S375-D400 WeakPolarHBondContact CA-O 3.4Å; S375-D400 WeakPolarHBondContact CB-O 3.3Å; S375-D400 PolarHBondContact OG-O 2.99Å; K377-D400 VanDerWaalsContact CE-OD1 3.24Å; K377-D400 WeakPolarHBondContact CE-OD1 3.31Å; K377-D400 IonicContact NZ-OD1 3.92Å; K377-D400 PolarHBondContact NZ-OD1 2.92Å; C397-D400 HydrophobicContact CB-CB 4.45Å; C397-D400 WeakPolarHBondContact O-CB 3.44Å; C397-D400 PolarHBondContact O-N 3.01Å; Q398-D400 PolarHBondContact O-N 3.49Å
401	V	95.4	Very high	93.5	Very high	4 Å²	4	61.2 Å²	61.2	2%	0.024	32%	0.317	C	S	.	.	H	α-helix	trans	-119.3	-16.8	-171.5	-62.1	0	0	0	0	115	C363 F373 P396 C397 Q398 L443	C363-V401 PolarHBondContact SG-O 3.35Å; F373-V401 HydrophobicContact CB-CG1 4.23Å; P396-V401 HydrophobicContact CB-CG1 3.92Å; P396-V401 HydrophobicContact CG-CG1 3.74Å; P396-V401 HydrophobicContact CG-CG2 4.04Å; C397-V401 PolarHBondContact O-N 3.43Å; Q398-V401 PolarHBondContact O-N 2.92Å; V401-L443 HydrophobicContact CG2-CD1 3.6Å; V401-L443 HydrophobicContact CG2-CD2 3.8Å; V401-L443 HydrophobicContact CG2-CG 4.29Å
402	L	95.5	Very high	93.6	Very high	17 Å²	17	56.4 Å²	56.4	9%	0.089	29%	0.292	C	S	.	.			trans	-90.2	102.4	168.7	-57.4	-175.1	0	0	0	108.7	L361 C363 Q398 L443 I444	L361-L402 HydrophobicContact CD1-CD1 4.27Å; C363-L402 HydrophobicContact CB-CD2 3.59Å; Q398-L402 HydrophobicContact CB-CD1 4.14Å; Q398-L402 HydrophobicContact CG-CD1 4.38Å; Q398-L402 VanDerWaalsContact O-CB 3.26Å; Q398-L402 WeakPolarHBondContact O-CB 3.33Å; Q398-L402 WeakPolarHBondContact O-CG 3.39Å; Q398-L402 PolarHBondContact O-N 3.43Å; L402-L443 HydrophobicContact CD2-CD2 3.86Å; L402-L443 HydrophobicContact CD2-CG 4.1Å; L402-L443 HydrophobicContact CG-CG 4.49Å; L402-I444 HydrophobicContact CD1-CG2 4.48Å; L402-I444 HydrophobicContact CD2-CG2 4.1Å
403	A	95.1	Very high	93.8	Very high	6 Å²	6	53.1 Å²	53.1	5%	0.05	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	132.4	178.8	0	0	0	0	0	110.9	L361 I362 L376 L405 M408	L361-A403 WeakPolarHBondContact CA-O 3.42Å; I362-A403 HydrophobicContact CG2-CB 4.04Å; I362-A403 PolarHBondContact N-O 3.27Å; I362-A403 PolarHBondContact O-N 3.26Å; L376-A403 HydrophobicContact CD1-CB 4.44Å; A403-L405 PolarHBondContact O-N 3.35Å; A403-L405 VanDerWaalsContact O-N 3.15Å; A403-M408 HydrophobicContact CB-CE 3.75Å; A403-M408 HydrophobicContact CB-SD 3.84Å
404	P	95.5	Very high	93.8	Very high	43 Å²	43	56.9 Å²	56.9	28%	0.279	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	109.1	168.6	-19	32.8	0	0	0	110.3	T360 L361 H406 K407 M408	T360-P404 CarbonylContact O-C 3.49Å; L361-P404 HydrophobicContact CD2-CB 4.44Å; L361-P404 HydrophobicContact CD2-CG 4.3Å; P404-H406 PolarHBondContact O-N 2.89Å; P404-K407 HydrophobicContact CB-CB 4.26Å; P404-K407 HydrophobicContact CB-CD 4.04Å; P404-K407 HydrophobicContact CB-CG 4.49Å; P404-K407 PolarHBondContact O-N 2.82Å; P404-M408 PolarHBondContact O-N 3.47Å; P404-M408 VanDerWaalsContact O-N 3.11Å
405	L	95.4	Very high	94	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-54	-56.3	-164.8	175.9	61.9	0	0	0	112.8	L351 L354 T360 I362 A403 K407 M408 E409	L351-L405 HydrophobicContact CD1-CD1 3.69Å; L351-L405 HydrophobicContact CD2-CD1 4.28Å; L351-L405 HydrophobicContact CG-CD1 3.84Å; L354-L405 HydrophobicContact CB-CD2 4.36Å; L354-L405 HydrophobicContact CD1-CD2 3.93Å; T360-L405 HydrophobicContact CG2-CB 4.14Å; T360-L405 HydrophobicContact CG2-CD2 3.81Å; T360-L405 WeakPolarHBondContact O-CB 3.48Å; T360-L405 PolarHBondContact O-N 3.47Å; I362-L405 HydrophobicContact CB-CB 4.46Å; I362-L405 HydrophobicContact CB-CD1 4.26Å; I362-L405 HydrophobicContact CD1-CD1 3.95Å; I362-L405 HydrophobicContact CG2-CB 4.25Å; I362-L405 HydrophobicContact CG2-CD1 3.92Å; A403-L405 PolarHBondContact O-N 3.35Å; A403-L405 VanDerWaalsContact O-N 3.15Å; L405-K407 VanDerWaalsContact C-N 3.27Å; L405-K407 PolarHBondContact O-N 3.42Å; L405-M408 CarbonylContact O-C 3.42Å; L405-M408 PolarHBondContact O-N 2.98Å; L405-E409 WeakPolarHBondContact O-CA 3.31Å; L405-E409 PolarHBondContact O-N 2.91Å
406	H	93.1	Very high	94.1	Very high	70 Å²	70	48.1 Å²	48.1	32%	0.324	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-68.5	-26	-175.2	-63.9	-74.5	0	0	0	113.2	D357 P404	D357-H406 PolarHBondContact O-CD2 2.83Å; D357-H406 PolarHBondContact O-NE2 2.91Å; P404-H406 PolarHBondContact O-N 2.89Å
407	K	93.7	Very high	94.3	Very high	131 Å²	131	54.1 Å²	54.1	57%	0.57	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-83	-16.8	178.9	-61.1	166.4	-171	152.9	0	112	D359 P404 L405	D359-K407 IonicContact OD1-NZ 3.68Å; D359-K407 PolarHBondContact OD1-NZ 2.79Å; P404-K407 HydrophobicContact CB-CB 4.26Å; P404-K407 HydrophobicContact CB-CD 4.04Å; P404-K407 HydrophobicContact CB-CG 4.49Å; P404-K407 PolarHBondContact O-N 2.82Å; L405-K407 VanDerWaalsContact C-N 3.27Å; L405-K407 PolarHBondContact O-N 3.42Å
408	M	93.4	Very high	94.4	Very high	22 Å²	22	53.4 Å²	53.4	11%	0.108	26%	0.26	C	S	.	.	S	Bend	trans	-129.3	21.3	-175.8	-65.6	-179.2	50.3	0	0	113.1	L376 A403 P404 L405 K410 E411 V412	L376-M408 VanDerWaalsContact C-CE 3.48Å; L376-M408 HydrophobicContact CB-CE 3.39Å; L376-M408 WeakPolarHBondContact O-CE 3.38Å; A403-M408 HydrophobicContact CB-CE 3.75Å; A403-M408 HydrophobicContact CB-SD 3.84Å; P404-M408 PolarHBondContact O-N 3.47Å; P404-M408 VanDerWaalsContact O-N 3.11Å; L405-M408 CarbonylContact O-C 3.42Å; L405-M408 PolarHBondContact O-N 2.98Å; M408-K410 PolarHBondContact O-N 3.3Å; M408-E411 PolarHBondContact O-N 3.32Å; M408-E411 VanDerWaalsContact O-N 3.15Å; M408-V412 WeakPolarHBondContact O-CG2 3.38Å; M408-V412 PolarHBondContact O-N 3.38Å
409	E	94.7	Very high	94.7	Very high	45 Å²	45	49.8 Å²	49.8	21%	0.21	24%	0.243	C	C	.	.	H	α-helix	trans	-58.4	-37.7	-171.7	-163.5	-165.2	110	0	0	111.4	L351 S352 L405 V412 R413	L351-E409 HydrophobicContact CD2-CG 3.63Å; L351-E409 HydrophobicContact CG-CG 4.14Å; S352-E409 WeakPolarHBondContact CB-OE2 3.34Å; S352-E409 PolarHBondContact OG-OE1 3.38Å; S352-E409 PolarHBondContact OG-OE2 2.98Å; L405-E409 WeakPolarHBondContact O-CA 3.31Å; L405-E409 PolarHBondContact O-N 2.91Å; E409-V412 PolarHBondContact O-N 3.41Å; E409-R413 WeakPolarHBondContact O-CB 3.49Å; E409-R413 WeakPolarHBondContact O-CG 3.23Å; E409-R413 PolarHBondContact O-N 3.23Å; E409-R413 IonicContact OE1-CZ 3.68Å; E409-R413 IonicContact OE1-NE 2.75Å; E409-R413 PolarHBondContact OE1-NE 3.08Å; E409-R413 IonicContact OE1-NH2 3.02Å; E409-R413 PolarHBondContact OE1-NH2 3.22Å
410	K	94.6	Very high	95	Very high	135 Å²	135	45.1 Å²	45.1	59%	0.587	22%	0.215	S	C	*	.	H	α-helix	trans	-62.1	-52.1	177.2	-178.2	-173.3	168.2	-170.5	0	111.7	M408 V412 R413 E414	M408-K410 PolarHBondContact O-N 3.3Å; K410-V412 VanDerWaalsContact C-N 3.3Å; K410-V412 PolarHBondContact O-N 3.49Å; K410-R413 WeakPolarHBondContact O-CB 3.35Å; K410-R413 PolarHBondContact O-N 2.92Å; K410-E414 WeakPolarHBondContact CE-OE1 3.46Å; K410-E414 IonicContact NZ-OE1 3.27Å; K410-E414 WeakPolarHBondContact O-CG 3.37Å; K410-E414 PolarHBondContact O-N 3.16Å
411	E	95.6	Very high	95.2	Very high	28 Å²	28	48.8 Å²	48.8	13%	0.131	23%	0.23	C	C	.	.	H	α-helix	trans	-62.3	-37.8	179.8	-69.6	81	174.8	0	0	111.5	S378 G379 M408 E414 F415	S378-E411 WeakPolarHBondContact CA-OE1 3.39Å; S378-E411 VanDerWaalsContact CB-OE1 3.26Å; S378-E411 WeakPolarHBondContact CB-OE1 3.4Å; S378-E411 PolarHBondContact OG-OE1 3.21Å; G379-E411 PolarHBondContact N-OE1 2.88Å; M408-E411 PolarHBondContact O-N 3.32Å; M408-E411 VanDerWaalsContact O-N 3.15Å; E411-E414 PolarHBondContact O-N 3.14Å; E411-F415 VanDerWaalsContact O-CB 3.3Å; E411-F415 WeakPolarHBondContact O-CB 3.48Å; E411-F415 PolarHBondContact O-N 2.57Å
412	V	96.5	Very high	95.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.6	-44.4	173.8	175.1	0	0	0	0	111.1	L351 I362 F364 L376 M408 E409 K410 E414 F415 L416	L351-V412 HydrophobicContact CD1-CG1 3.96Å; L351-V412 HydrophobicContact CD2-CB 3.97Å; L351-V412 HydrophobicContact CD2-CG1 3.6Å; L351-V412 HydrophobicContact CG-CG1 4.44Å; I362-V412 HydrophobicContact CD1-CG1 4.41Å; I362-V412 HydrophobicContact CG2-CG2 4.05Å; F364-V412 HydrophobicContact CE2-CG1 3.79Å; F364-V412 HydrophobicContact CE2-CG2 4.4Å; F364-V412 HydrophobicContact CZ-CG1 3.69Å; L376-V412 HydrophobicContact CD1-CG2 3.71Å; M408-V412 WeakPolarHBondContact O-CG2 3.38Å; M408-V412 PolarHBondContact O-N 3.38Å; E409-V412 PolarHBondContact O-N 3.41Å; K410-V412 VanDerWaalsContact C-N 3.3Å; K410-V412 PolarHBondContact O-N 3.49Å; V412-E414 VanDerWaalsContact C-N 3.34Å; V412-E414 PolarHBondContact O-N 2.89Å; V412-F415 PolarHBondContact O-N 2.76Å; V412-L416 HydrophobicContact CG1-CD1 3.98Å; V412-L416 HydrophobicContact CG1-CG 4.32Å; V412-L416 WeakPolarHBondContact O-CB 3.3Å; V412-L416 VanDerWaalsContact O-CG 3.29Å; V412-L416 WeakPolarHBondContact O-CG 3.34Å; V412-L416 PolarHBondContact O-N 3.1Å
413	R	96.3	Very high	95.2	Very high	64 Å²	64	52.8 Å²	52.8	24%	0.242	25%	0.25	C	S	.	.	H	α-helix	trans	-63.3	-36.6	176.1	-72.4	172.3	178.3	-70	-3.2	113.2	C348 L351 S352 E409 K410 K417	C348-R413 PolarHBondContact O-NH1 3.01Å; L351-R413 HydrophobicContact CD2-CG 3.66Å; S352-R413 PolarHBondContact OG-NH2 2.72Å; E409-R413 WeakPolarHBondContact O-CB 3.49Å; E409-R413 WeakPolarHBondContact O-CG 3.23Å; E409-R413 PolarHBondContact O-N 3.23Å; E409-R413 IonicContact OE1-CZ 3.68Å; E409-R413 IonicContact OE1-NE 2.75Å; E409-R413 PolarHBondContact OE1-NE 3.08Å; E409-R413 IonicContact OE1-NH2 3.02Å; E409-R413 PolarHBondContact OE1-NH2 3.22Å; K410-R413 WeakPolarHBondContact O-CB 3.35Å; K410-R413 PolarHBondContact O-N 2.92Å; R413-K417 WeakPolarHBondContact O-CG 3.49Å
414	E	95.2	Very high	94.8	Very high	103 Å²	103	57.4 Å²	57.4	48%	0.481	27%	0.274	S	S	.	.	H	α-helix	trans	-69.3	-46.6	175.2	-73.4	175.9	-172.3	0	0	110.5	K410 E411 V412 L416 K417 T418	K410-E414 WeakPolarHBondContact CE-OE1 3.46Å; K410-E414 IonicContact NZ-OE1 3.27Å; K410-E414 WeakPolarHBondContact O-CG 3.37Å; K410-E414 PolarHBondContact O-N 3.16Å; E411-E414 PolarHBondContact O-N 3.14Å; V412-E414 VanDerWaalsContact C-N 3.34Å; V412-E414 PolarHBondContact O-N 2.89Å; E414-L416 PolarHBondContact O-N 2.81Å; E414-K417 PolarHBondContact O-N 3.48Å; E414-T418 PolarHBondContact O-N 2.84Å
415	F	96.7	Very high	94.1	Very high	2 Å²	2	62 Å²	62	1%	0.009	30%	0.296	C	S	.	.	H	α-helix	trans	-58.7	-46.9	176.2	171.5	-112.4	0	0	0	112.9	F364 F374 L376 P382 E411 V412 K417 T418 L419	F364-F415 HydrophobicContact CB-CE1 3.71Å; F364-F415 HydrophobicContact CB-CZ 4.24Å; F364-F415 HydrophobicContact CD1-CE1 4.25Å; F364-F415 AromaticContact CD2-CD1 3.86Å; F364-F415 HydrophobicContact CD2-CD1 3.86Å; F364-F415 AromaticContact CD2-CE1 3.58Å; F364-F415 HydrophobicContact CD2-CE1 3.58Å; F364-F415 HydrophobicContact CE2-CD1 4.11Å; F364-F415 HydrophobicContact CE2-CE1 4.24Å; F364-F415 HydrophobicContact CG-CD1 4.27Å; F364-F415 AromaticContact CG-CE1 3.57Å; F364-F415 HydrophobicContact CG-CE1 3.57Å; F374-F415 HydrophobicContact CB-CE1 4.42Å; F374-F415 HydrophobicContact CB-CE2 4.1Å; F374-F415 HydrophobicContact CB-CZ 3.75Å; F374-F415 AromaticContact CD1-CE2 3.6Å; F374-F415 HydrophobicContact CD1-CE2 3.6Å; F374-F415 AromaticContact CD1-CZ 3.69Å; F374-F415 HydrophobicContact CD1-CZ 3.69Å; F374-F415 HydrophobicContact CD2-CE1 4.49Å; F374-F415 HydrophobicContact CD2-CE2 4.4Å; F374-F415 AromaticContact CD2-CZ 3.64Å; F374-F415 HydrophobicContact CD2-CZ 3.64Å; F374-F415 HydrophobicContact CE1-CE2 4.11Å; F374-F415 HydrophobicContact CE1-CZ 4.18Å; F374-F415 HydrophobicContact CE2-CZ 4.15Å; F374-F415 HydrophobicContact CG-CE1 4.38Å; F374-F415 AromaticContact CG-CE2 3.76Å; F374-F415 HydrophobicContact CG-CE2 3.76Å; F374-F415 AromaticContact CG-CZ 3.38Å; F374-F415 HydrophobicContact CG-CZ 3.38Å; F374-F415 HydrophobicContact CZ-CZ 4.39Å; L376-F415 HydrophobicContact CD1-CD1 4.37Å; L376-F415 HydrophobicContact CD2-CB 3.87Å; L376-F415 HydrophobicContact CD2-CD1 4.17Å; L376-F415 HydrophobicContact CD2-CD2 4.09Å; L376-F415 HydrophobicContact CD2-CG 3.76Å; P382-F415 HydrophobicContact CB-CD2 3.97Å; P382-F415 HydrophobicContact CB-CE2 4.44Å; P382-F415 HydrophobicContact CG-CB 4.16Å; P382-F415 HydrophobicContact CG-CD2 3.8Å; P382-F415 HydrophobicContact CG-CG 4.35Å; E411-F415 VanDerWaalsContact O-CB 3.3Å; E411-F415 WeakPolarHBondContact O-CB 3.48Å; E411-F415 PolarHBondContact O-N 2.57Å; V412-F415 PolarHBondContact O-N 2.76Å; F415-K417 PolarHBondContact O-N 2.64Å; F415-K417 VanDerWaalsContact O-N 3.16Å; F415-T418 CarbonylContact O-C 3.22Å; F415-T418 PolarHBondContact O-N 2.94Å; F415-T418 PolarHBondContact O-OG1 2.87Å; F415-L419 HydrophobicContact CE1-CB 4.44Å; F415-L419 HydrophobicContact CE1-CD2 3.94Å; F415-L419 HydrophobicContact CE2-CB 4.31Å; F415-L419 HydrophobicContact CE2-CD1 4.19Å; F415-L419 HydrophobicContact CZ-CB 4.17Å; F415-L419 HydrophobicContact CZ-CD1 3.75Å; F415-L419 HydrophobicContact CZ-CD2 3.98Å; F415-L419 HydrophobicContact CZ-CG 4.18Å; F415-L419 WeakPolarHBondContact O-CB 3.2Å; F415-L419 PolarHBondContact O-N 2.54Å
416	L	97.2	Very high	93	Very high	3 Å²	3	63 Å²	63	2%	0.016	31%	0.307	C	S	.	.	H	α-helix	trans	-59.5	-26.7	179.5	-74.8	173.1	0	0	0	113.5	C344 L347 C348 F364 V412 E414 P420	C344-L416 HydrophobicContact CB-CB 4.43Å; C344-L416 HydrophobicContact CB-CD2 4.32Å; C344-L416 WeakPolarHBondContact CB-O 3.23Å; L347-L416 HydrophobicContact CB-CD1 4.34Å; L347-L416 HydrophobicContact CD2-CD1 4.12Å; L347-L416 HydrophobicContact CD2-CD2 3.98Å; L347-L416 HydrophobicContact CG-CD1 3.95Å; C348-L416 HydrophobicContact CB-CD1 4.15Å; F364-L416 HydrophobicContact CD1-CD2 4.48Å; F364-L416 HydrophobicContact CE1-CD2 3.78Å; F364-L416 HydrophobicContact CZ-CD2 4.03Å; F364-L416 HydrophobicContact CZ-CG 4.38Å; V412-L416 HydrophobicContact CG1-CD1 3.98Å; V412-L416 HydrophobicContact CG1-CG 4.32Å; V412-L416 WeakPolarHBondContact O-CB 3.3Å; V412-L416 VanDerWaalsContact O-CG 3.29Å; V412-L416 WeakPolarHBondContact O-CG 3.34Å; V412-L416 PolarHBondContact O-N 3.1Å; E414-L416 PolarHBondContact O-N 2.81Å; L416-P420 WeakPolarHBondContact O-CD 3.38Å
417	K	95.8	Very high	92.6	Very high	144 Å²	144	66.7 Å²	66.7	63%	0.626	33%	0.329	S	S	*	.	H	α-helix	trans	-73.7	-39	173.9	-68.1	169.6	-176.3	179.2	0	111.9	R413 E414 F415	R413-K417 WeakPolarHBondContact O-CG 3.49Å; E414-K417 PolarHBondContact O-N 3.48Å; F415-K417 PolarHBondContact O-N 2.64Å; F415-K417 VanDerWaalsContact O-N 3.16Å
418	T	94.9	Very high	92.5	Very high	57 Å²	57	60.7 Å²	60.7	35%	0.35	30%	0.303	S	S	.	.	H	α-helix	trans	-82.3	-22.6	-179.4	57	0	0	0	0	114	E414 F415 E421 L422	E414-T418 PolarHBondContact O-N 2.84Å; F415-T418 CarbonylContact O-C 3.22Å; F415-T418 PolarHBondContact O-N 2.94Å; F415-T418 PolarHBondContact O-OG1 2.87Å; T418-E421 WeakPolarHBondContact O-CB 3.47Å; T418-E421 PolarHBondContact O-N 3.27Å; T418-E421 VanDerWaalsContact O-N 3.14Å; T418-L422 PolarHBondContact O-N 3.34Å
419	L	95.9	Very high	92.6	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-42.7	-173	175.9	60	0	0	0	114	F328 L340 F374 F415 E421 L422 F423	F328-L419 HydrophobicContact CD2-CD2 4.02Å; F328-L419 HydrophobicContact CE2-CD2 3.64Å; F328-L419 HydrophobicContact CZ-CD2 4.38Å; L340-L419 HydrophobicContact CD1-CD2 4.45Å; F374-L419 HydrophobicContact CE1-CD1 4.38Å; F374-L419 HydrophobicContact CE2-CD1 4.04Å; F374-L419 HydrophobicContact CZ-CD1 3.81Å; F415-L419 HydrophobicContact CE1-CB 4.44Å; F415-L419 HydrophobicContact CE1-CD2 3.94Å; F415-L419 HydrophobicContact CE2-CB 4.31Å; F415-L419 HydrophobicContact CE2-CD1 4.19Å; F415-L419 HydrophobicContact CZ-CB 4.17Å; F415-L419 HydrophobicContact CZ-CD1 3.75Å; F415-L419 HydrophobicContact CZ-CD2 3.98Å; F415-L419 HydrophobicContact CZ-CG 4.18Å; F415-L419 WeakPolarHBondContact O-CB 3.2Å; F415-L419 PolarHBondContact O-N 2.54Å; L419-E421 PolarHBondContact O-N 3.43Å; L419-L422 HydrophobicContact CD1-CD1 4.37Å; L419-L422 PolarHBondContact O-N 3.45Å; L419-F423 HydrophobicContact CD1-CD2 4.21Å; L419-F423 HydrophobicContact CD1-CE2 3.77Å
420	P	95.5	Very high	92.7	Very high	18 Å²	18	64.9 Å²	64.9	12%	0.117	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-43.8	174.2	-23.1	34.5	0	0	0	112.6	L340 K341 C344 L416 L422 F423 D424	L340-P420 HydrophobicContact CG-CG 4.42Å; K341-P420 HydrophobicContact CB-CB 4.39Å; K341-P420 HydrophobicContact CB-CG 4.33Å; C344-P420 HydrophobicContact CB-CG 4.29Å; L416-P420 WeakPolarHBondContact O-CD 3.38Å; P420-L422 PolarHBondContact O-N 3.27Å; P420-F423 PolarHBondContact O-N 2.98Å; P420-D424 PolarHBondContact O-N 3.31Å
421	E	94.4	Very high	92.9	Very high	133 Å²	133	58.4 Å²	58.4	62%	0.621	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-27.6	-177.2	-53.4	177.8	161.7	0	0	112.5	T418 L419 F423	T418-E421 WeakPolarHBondContact O-CB 3.47Å; T418-E421 PolarHBondContact O-N 3.27Å; T418-E421 VanDerWaalsContact O-N 3.14Å; L419-E421 PolarHBondContact O-N 3.43Å; E421-F423 PolarHBondContact O-N 2.84Å
422	L	94.2	Very high	93	Very high	90 Å²	90	57.1 Å²	57.1	47%	0.471	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-22.1	174.5	-65	177.5	0	0	0	113.3	F374 T418 L419 P420	F374-L422 HydrophobicContact CE1-CD1 3.97Å; T418-L422 PolarHBondContact O-N 3.34Å; L419-L422 HydrophobicContact CD1-CD1 4.37Å; L419-L422 PolarHBondContact O-N 3.45Å; P420-L422 PolarHBondContact O-N 3.27Å
423	F	94.8	Very high	93.1	Very high	14 Å²	14	57.1 Å²	57.1	6%	0.061	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.8	5.9	-172.9	-61.8	-74.5	0	0	0	114.3	V330 I335 L340 A366 H372 F374 L419 P420 E421 N425 G426	V330-F423 HydrophobicContact CB-CB 4.28Å; V330-F423 HydrophobicContact CB-CD1 3.83Å; V330-F423 HydrophobicContact CB-CD2 4.37Å; V330-F423 HydrophobicContact CB-CE1 4.22Å; V330-F423 HydrophobicContact CB-CG 3.91Å; V330-F423 HydrophobicContact CG1-CB 4.41Å; V330-F423 HydrophobicContact CG1-CD1 4.25Å; V330-F423 HydrophobicContact CG1-CD2 3.89Å; V330-F423 HydrophobicContact CG1-CE2 4.17Å; V330-F423 HydrophobicContact CG1-CG 3.93Å; V330-F423 HydrophobicContact CG1-CZ 4.47Å; V330-F423 HydrophobicContact CG2-CD1 3.7Å; V330-F423 HydrophobicContact CG2-CE1 3.63Å; V330-F423 HydrophobicContact CG2-CG 4.25Å; V330-F423 HydrophobicContact CG2-CZ 4.11Å; I335-F423 HydrophobicContact CD1-CB 3.69Å; I335-F423 HydrophobicContact CG1-CB 4.45Å; L340-F423 HydrophobicContact CD2-CD2 4.43Å; A366-F423 HydrophobicContact CB-CE2 3.94Å; A366-F423 HydrophobicContact CB-CZ 3.75Å; H372-F423 HydrophobicContact CB-CZ 4.48Å; F374-F423 AromaticContact CZ-CE2 3.93Å; F374-F423 HydrophobicContact CZ-CE2 3.93Å; F374-F423 AromaticContact CZ-CZ 4Å; F374-F423 HydrophobicContact CZ-CZ 4Å; L419-F423 HydrophobicContact CD1-CD2 4.21Å; L419-F423 HydrophobicContact CD1-CE2 3.77Å; P420-F423 PolarHBondContact O-N 2.98Å; E421-F423 PolarHBondContact O-N 2.84Å; F423-N425 PolarHBondContact O-N 2.92Å; F423-N425 VanDerWaalsContact O-N 3.13Å; F423-G426 PolarHBondContact O-N 3.05Å
424	D	87	Confident	93.2	Very high	104 Å²	104	54 Å²	54	56%	0.556	28%	0.283	S	S	*	.	S	Bend	trans	-50.7	-39.3	179.5	-84.4	-14.6	0	0	0	112.9	P420 G426	P420-D424 PolarHBondContact O-N 3.31Å; D424-G426 PolarHBondContact O-N 3.42Å
425	N	80.8	Confident	93.3	Very high	138 Å²	138	49.1 Å²	49.1	74%	0.738	26%	0.26	S	S	*	.	S	Bend	trans	-96.2	66.1	172.5	-61.1	-66.6	0	0	0	109.9	F423 N427	F423-N425 PolarHBondContact O-N 2.92Å; F423-N425 VanDerWaalsContact O-N 3.13Å; N425-N427 VanDerWaalsContact O-CG 3.25Å; N425-N427 PolarHBondContact O-N 3.46Å; N425-N427 PolarHBondContact O-ND2 3.18Å; N425-N427 VanDerWaalsContact O-ND2 3.1Å; N425-N427 PolarHBondContact O-OD1 2.98Å
426	G	73.6	Confident	93.4	Very high	22 Å²	22	49 Å²	49	23%	0.227	26%	0.26	C	S	.	.			trans	-53.8	122.6	179.3	0	0	0	0	0	111.3	I332 F423 D424	I332-G426 VanDerWaalsContact CG1-O 3.23Å; I332-G426 WeakPolarHBondContact CG1-O 3.31Å; F423-G426 PolarHBondContact O-N 3.05Å; D424-G426 PolarHBondContact O-N 3.42Å
427	N	83.4	Confident	93.5	Very high	147 Å²	147	48.9 Å²	48.9	79%	0.786	26%	0.259	S	S	*	.			trans	-101.3	-9.2	-168.7	-71.3	-57.5	0	0	0	114.2	N425	N425-N427 VanDerWaalsContact O-CG 3.25Å; N425-N427 PolarHBondContact O-N 3.46Å; N425-N427 PolarHBondContact O-ND2 3.18Å; N425-N427 VanDerWaalsContact O-ND2 3.1Å; N425-N427 PolarHBondContact O-OD1 2.98Å
428	S	92.8	Very high	93.6	Very high	5 Å²	5	42.3 Å²	42.3	4%	0.035	23%	0.231	C	C	.	.			trans	-125.5	130.4	-169.8	-165.9	0	0	0	0	113.5	S331 I332 S369 H430	S331-S428 WeakPolarHBondContact CA-O 3.32Å; I332-S428 WeakPolarHBondContact CG1-O 3.25Å; I332-S428 PolarHBondContact N-O 2.91Å; S369-S428 WeakPolarHBondContact CB-OG 3.5Å; S369-S428 PolarHBondContact N-OG 3Å; S369-S428 WeakPolarHBondContact OG-CB 3.34Å; S369-S428 PolarHBondContact OG-OG 2.88Å; S428-H430 VanDerWaalsContact C-N 3.32Å; S428-H430 PolarHBondContact OG-N 2.94Å
429	P	95	Very high	93.7	Very high	72 Å²	72	39.6 Å²	39.6	47%	0.468	21%	0.214	S	C	.	.	S	Bend	trans	-87.4	-0.1	169.9	37.3	-35.3	0	0	0	112.8	I332 N457	I332-P429 HydrophobicContact CD1-CB 4.39Å; P429-N457 PolarHBondContact O-ND2 2.8Å
430	H	97	Very high	93.9	Very high	83 Å²	83	39.6 Å²	39.6	38%	0.384	21%	0.214	S	C	.	.			trans	-104.9	159.7	-174.9	-60.9	-60.4	0	0	0	111.7	D368 S369 S428 D460 I461	D368-H430 CarbonylContact C-O 3.54Å; S369-H430 PolarHBondContact N-O 3.27Å; S428-H430 VanDerWaalsContact C-N 3.32Å; S428-H430 PolarHBondContact OG-N 2.94Å; H430-D460 VanDerWaalsContact CA-OD1 3.32Å; H430-D460 WeakPolarHBondContact CA-OD1 3.31Å; H430-D460 IonicContact CE1-OD2 2.96Å; H430-D460 IonicContact CG-OD2 3.1Å; H430-D460 IonicContact ND1-OD1 3.71Å; H430-D460 IonicContact ND1-OD2 2.73Å; H430-D460 PolarHBondContact ND1-OD2 2.87Å; H430-I461 HydrophobicContact CB-CD1 4.17Å; H430-I461 HydrophobicContact CB-CG1 4.37Å; H430-I461 HydrophobicContact CB-CG2 4.27Å
431	L	98	Very high	94	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.212	C	C	.	.			trans	-145.8	112.6	-175.7	-172.6	70.8	0	0	0	113.8	D329 V367 D368 F433 L455 N457 P459 D460	D329-L431 HydrophobicContact CB-CD1 4.16Å; D329-L431 WeakPolarHBondContact OD1-CD1 3.33Å; V367-L431 HydrophobicContact CB-CD1 4.49Å; V367-L431 HydrophobicContact CG1-CD1 4.02Å; V367-L431 HydrophobicContact CG2-CD1 4.06Å; V367-L431 WeakPolarHBondContact O-CD1 3.48Å; D368-L431 CarbonylContact O-C 3.54Å; D368-L431 WeakPolarHBondContact O-CA 3.41Å; L431-F433 VanDerWaalsContact C-N 3.26Å; L431-F433 HydrophobicContact CD2-CB 3.97Å; L431-F433 HydrophobicContact CG-CB 4.02Å; L431-F433 PolarHBondContact O-N 3.4Å; L431-F433 VanDerWaalsContact O-N 3.14Å; L431-L455 HydrophobicContact CD2-CD1 3.33Å; L431-N457 HydrophobicContact CB-CB 4.48Å; L431-N457 HydrophobicContact CD2-CB 4.2Å; L431-P459 HydrophobicContact CD2-CG 4.4Å; L431-P459 WeakPolarHBondContact O-CA 3.28Å; L431-D460 PolarHBondContact N-OD1 3.41Å; L431-D460 PolarHBondContact O-N 2.82Å
432	A	98.1	Very high	94.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.202	C	C	.	.			trans	-84.7	43.5	175.7	0	0	0	0	0	114	V367 D368 L371 V390 G434 S435 A436 I461	V367-A432 HydrophobicContact CG2-CB 4.02Å; D368-A432 PolarHBondContact O-N 3.16Å; L371-A432 HydrophobicContact CD2-CB 4.37Å; V390-A432 HydrophobicContact CB-CB 3.74Å; V390-A432 HydrophobicContact CG1-CB 3.58Å; V390-A432 HydrophobicContact CG2-CB 4Å; A432-G434 PolarHBondContact O-N 3.3Å; A432-S435 WeakPolarHBondContact O-CB 3.46Å; A432-S435 PolarHBondContact O-N 2.93Å; A432-A436 PolarHBondContact O-N 2.99Å; A432-A436 VanDerWaalsContact O-N 3.08Å; A432-I461 HydrophobicContact CB-CD1 4.11Å; A432-I461 HydrophobicContact CB-CG1 3.95Å
433	F	98.3	Very high	94.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-56.7	-46.9	-168.4	-177.4	-102.6	0	0	0	113.8	L431 S435 A436 I437 A453 L455 P459 Y490 L506	L431-F433 VanDerWaalsContact C-N 3.26Å; L431-F433 HydrophobicContact CD2-CB 3.97Å; L431-F433 HydrophobicContact CG-CB 4.02Å; L431-F433 PolarHBondContact O-N 3.4Å; L431-F433 VanDerWaalsContact O-N 3.14Å; F433-S435 PolarHBondContact O-N 2.85Å; F433-A436 WeakPolarHBondContact O-CB 3.44Å; F433-A436 PolarHBondContact O-N 3.07Å; F433-A436 VanDerWaalsContact O-N 3.12Å; F433-I437 HydrophobicContact CD1-CG1 4.19Å; F433-I437 HydrophobicContact CE1-CD1 4.33Å; F433-I437 HydrophobicContact CE1-CG1 3.76Å; F433-I437 HydrophobicContact CE2-CD1 4.06Å; F433-I437 HydrophobicContact CE2-CG1 4.28Å; F433-I437 HydrophobicContact CZ-CD1 3.84Å; F433-I437 HydrophobicContact CZ-CG1 3.81Å; F433-I437 WeakPolarHBondContact O-CG1 3.2Å; F433-I437 PolarHBondContact O-N 3.25Å; F433-A453 HydrophobicContact CE2-CB 3.88Å; F433-A453 HydrophobicContact CZ-CB 3.85Å; F433-L455 HydrophobicContact CD2-CD1 3.87Å; F433-L455 HydrophobicContact CE2-CB 4.44Å; F433-L455 HydrophobicContact CE2-CD1 4.22Å; F433-L455 HydrophobicContact CG-CD1 4.13Å; F433-P459 HydrophobicContact CB-CB 3.76Å; F433-P459 HydrophobicContact CB-CG 3.58Å; F433-P459 HydrophobicContact CD1-CG 4.09Å; F433-P459 HydrophobicContact CG-CG 4.08Å; F433-Y490 AromaticContact CD1-CE1 3.96Å; F433-Y490 HydrophobicContact CD1-CE1 3.96Å; F433-Y490 HydrophobicContact CE1-CE1 4.22Å; F433-L506 HydrophobicContact CE2-CD1 4.46Å; F433-L506 HydrophobicContact CZ-CD1 3.79Å
434	G	98.2	Very high	94.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.7	-40.2	-178	0	0	0	0	0	112.6	A432 A436 I437 S438 Q463	A432-G434 PolarHBondContact O-N 3.3Å; G434-A436 VanDerWaalsContact C-N 3.34Å; G434-A436 PolarHBondContact O-N 3.34Å; G434-I437 PolarHBondContact O-N 3.28Å; G434-S438 PolarHBondContact O-N 3.08Å; G434-S438 PolarHBondContact O-OG 3.39Å; G434-Q463 CarbonylContact C-O 3.54Å; G434-Q463 WeakPolarHBondContact CA-O 3.33Å
435	S	98.4	Very high	94.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.6	-41.5	170.6	-63.1	0	0	0	0	112.7	V390 A432 F433 S438 A439 Q463	V390-S435 WeakPolarHBondContact O-CB 3.4Å; V390-S435 PolarHBondContact O-OG 3.41Å; A432-S435 WeakPolarHBondContact O-CB 3.46Å; A432-S435 PolarHBondContact O-N 2.93Å; F433-S435 PolarHBondContact O-N 2.85Å; S435-S438 PolarHBondContact O-N 2.8Å; S435-A439 WeakPolarHBondContact O-CB 3.4Å; S435-A439 PolarHBondContact O-N 3.29Å; S435-Q463 WeakPolarHBondContact OG-CB 3.39Å; S435-Q463 WeakPolarHBondContact OG-CG 3.35Å; S435-Q463 PolarHBondContact OG-N 3.1Å
436	A	98.5	Very high	95.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.7	-39	177.6	0	0	0	0	0	112.6	V327 M365 V367 L371 A432 F433 G434 A439 A440	V327-A436 HydrophobicContact CG1-CB 3.96Å; M365-A436 WeakPolarHBondContact CE-O 3.44Å; V367-A436 HydrophobicContact CB-CB 3.75Å; V367-A436 HydrophobicContact CG1-CB 3.93Å; V367-A436 HydrophobicContact CG2-CB 3.8Å; L371-A436 HydrophobicContact CD2-CB 3.7Å; A432-A436 PolarHBondContact O-N 2.99Å; A432-A436 VanDerWaalsContact O-N 3.08Å; F433-A436 WeakPolarHBondContact O-CB 3.44Å; F433-A436 PolarHBondContact O-N 3.07Å; F433-A436 VanDerWaalsContact O-N 3.12Å; G434-A436 VanDerWaalsContact C-N 3.34Å; G434-A436 PolarHBondContact O-N 3.34Å; A436-A439 PolarHBondContact O-N 2.7Å; A436-A440 WeakPolarHBondContact O-CB 3.4Å; A436-A440 PolarHBondContact O-N 2.73Å
437	I	98.5	Very high	96.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-70.1	-40.7	174.8	-55.6	-52.1	0	0	0	111.5	V327 F433 G434 A439 A440 H441 V451 A453 L493 V504 I522	V327-I437 HydrophobicContact CG1-CD1 4.38Å; V327-I437 HydrophobicContact CG2-CD1 4.47Å; F433-I437 HydrophobicContact CD1-CG1 4.19Å; F433-I437 HydrophobicContact CE1-CD1 4.33Å; F433-I437 HydrophobicContact CE1-CG1 3.76Å; F433-I437 HydrophobicContact CE2-CD1 4.06Å; F433-I437 HydrophobicContact CE2-CG1 4.28Å; F433-I437 HydrophobicContact CZ-CD1 3.84Å; F433-I437 HydrophobicContact CZ-CG1 3.81Å; F433-I437 WeakPolarHBondContact O-CG1 3.2Å; F433-I437 PolarHBondContact O-N 3.25Å; G434-I437 PolarHBondContact O-N 3.28Å; I437-A439 VanDerWaalsContact C-N 3.3Å; I437-A439 PolarHBondContact O-N 2.82Å; I437-A440 PolarHBondContact O-N 3.03Å; I437-H441 WeakPolarHBondContact O-CB 3.47Å; I437-H441 PolarHBondContact O-N 3.09Å; I437-V451 HydrophobicContact CD1-CG1 4.27Å; I437-A453 HydrophobicContact CD1-CB 3.68Å; I437-L493 HydrophobicContact CB-CD2 4.1Å; I437-L493 HydrophobicContact CG2-CD2 3.83Å; I437-V504 HydrophobicContact CD1-CG1 4.43Å; I437-V504 HydrophobicContact CG2-CG1 4.41Å; I437-V504 HydrophobicContact CG2-CG2 4.18Å; I437-I522 HydrophobicContact CG2-CD1 4.16Å; I437-I522 HydrophobicContact CG2-CG1 4.04Å
438	S	98.3	Very high	96.9	Very high	5 Å²	5	18.6 Å²	18.6	4%	0.035	11%	0.108	C	C	.	.	H	α-helix	trans	-56.1	-46.3	172.3	-67.6	0	0	0	0	111.2	Y393 G434 S435 H441 Q442 Q463	Y393-S438 WeakPolarHBondContact OH-CB 3.43Å; G434-S438 PolarHBondContact O-N 3.08Å; G434-S438 PolarHBondContact O-OG 3.39Å; S435-S438 PolarHBondContact O-N 2.8Å; S438-H441 PolarHBondContact O-N 3.34Å; S438-Q442 VanDerWaalsContact O-CG 3.29Å; S438-Q442 WeakPolarHBondContact O-CG 3.41Å; S438-Q442 PolarHBondContact O-N 3.08Å; S438-Q463 PolarHBondContact OG-OE1 2.93Å
439	A	98.3	Very high	97.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.6	-44.9	178.6	0	0	0	0	0	112.1	M365 L371 F373 Y393 L395 S435 A436 I437 H441 Q442 L443	M365-A439 HydrophobicContact CE-CB 3.93Å; L371-A439 HydrophobicContact CD1-CB 4.12Å; F373-A439 HydrophobicContact CE1-CB 4.46Å; F373-A439 HydrophobicContact CZ-CB 4.01Å; Y393-A439 HydrophobicContact CD2-CB 4.15Å; Y393-A439 HydrophobicContact CE1-CB 4.49Å; Y393-A439 HydrophobicContact CE2-CB 3.57Å; Y393-A439 PolarHBondContact OH-N 3.21Å; L395-A439 HydrophobicContact CD2-CB 3.85Å; S435-A439 WeakPolarHBondContact O-CB 3.4Å; S435-A439 PolarHBondContact O-N 3.29Å; A436-A439 PolarHBondContact O-N 2.7Å; I437-A439 VanDerWaalsContact C-N 3.3Å; I437-A439 PolarHBondContact O-N 2.82Å; A439-H441 PolarHBondContact O-N 3.07Å; A439-Q442 PolarHBondContact O-N 3.42Å; A439-L443 VanDerWaalsContact O-CB 3.27Å; A439-L443 WeakPolarHBondContact O-CB 3.49Å; A439-L443 PolarHBondContact O-N 2.93Å
440	A	98.3	Very high	97.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61.7	-41.4	176.8	0	0	0	0	0	112.3	V325 V327 M365 A436 I437 I444 V451	V325-A440 HydrophobicContact CG1-CB 4.06Å; V327-A440 HydrophobicContact CG2-CB 4.01Å; M365-A440 HydrophobicContact CE-CB 4.16Å; M365-A440 HydrophobicContact SD-CB 3.8Å; A436-A440 WeakPolarHBondContact O-CB 3.4Å; A436-A440 PolarHBondContact O-N 2.73Å; I437-A440 PolarHBondContact O-N 3.03Å; A440-I444 PolarHBondContact O-N 2.89Å; A440-V451 HydrophobicContact CB-CG1 4.15Å; A440-V451 HydrophobicContact CB-CG2 4.08Å
441	H	97.9	Very high	97.3	Very high	16 Å²	16	11.4 Å²	11.4	7%	0.074	7%	0.069	C	C	.	.	H	α-helix	trans	-61.1	-54.4	174.6	159.2	-115.1	0	0	0	111.5	I437 S438 A439 L443 I444 A445 L493 D496 N500	I437-H441 WeakPolarHBondContact O-CB 3.47Å; I437-H441 PolarHBondContact O-N 3.09Å; S438-H441 PolarHBondContact O-N 3.34Å; A439-H441 PolarHBondContact O-N 3.07Å; H441-L443 VanDerWaalsContact C-N 3.27Å; H441-L443 PolarHBondContact O-N 3.48Å; H441-I444 PolarHBondContact O-N 3.35Å; H441-A445 WeakPolarHBondContact O-CB 3.36Å; H441-A445 PolarHBondContact O-N 3.35Å; H441-L493 HydrophobicContact CB-CD1 4.33Å; H441-D496 PolarHBondContact NE2-O 3.33Å; H441-N500 PolarHBondContact NE2-ND2 3.24Å; H441-N500 VanDerWaalsContact NE2-ND2 3.16Å
442	Q	97.2	Very high	97.4	Very high	89 Å²	89	11.4 Å²	11.4	42%	0.416	7%	0.069	S	C	.	.	H	α-helix	trans	-59.5	-39.1	-179.7	-70.9	173.3	30.1	0	0	111.8	Y393 L395 S438 A439 I444 A445	Y393-Q442 PolarHBondContact OH-NE2 3.06Å; Y393-Q442 VanDerWaalsContact OH-NE2 3.14Å; L395-Q442 HydrophobicContact CD1-CB 3.59Å; S438-Q442 VanDerWaalsContact O-CG 3.29Å; S438-Q442 WeakPolarHBondContact O-CG 3.41Å; S438-Q442 PolarHBondContact O-N 3.08Å; A439-Q442 PolarHBondContact O-N 3.42Å; Q442-I444 VanDerWaalsContact C-N 3.27Å; Q442-I444 PolarHBondContact O-N 3.01Å; Q442-A445 PolarHBondContact O-N 2.91Å
443	L	96.8	Very high	97.4	Very high	2 Å²	2	11.4 Å²	11.4	1%	0.01	7%	0.069	C	C	.	.	H	α-helix	trans	-59.7	-34	178.6	-174.4	69.8	0	0	0	112.9	C363 Q398 V401 L402 A439 H441	C363-L443 VanDerWaalsContact SG-CD2 3.58Å; Q398-L443 HydrophobicContact CG-CD1 3.92Å; Q398-L443 WeakPolarHBondContact CG-O 3.41Å; Q398-L443 PolarHBondContact NE2-O 3.04Å; V401-L443 HydrophobicContact CG2-CD1 3.6Å; V401-L443 HydrophobicContact CG2-CD2 3.8Å; V401-L443 HydrophobicContact CG2-CG 4.29Å; L402-L443 HydrophobicContact CD2-CD2 3.86Å; L402-L443 HydrophobicContact CD2-CG 4.1Å; L402-L443 HydrophobicContact CG-CG 4.49Å; A439-L443 VanDerWaalsContact O-CB 3.27Å; A439-L443 WeakPolarHBondContact O-CB 3.49Å; A439-L443 PolarHBondContact O-N 2.93Å; H441-L443 VanDerWaalsContact C-N 3.27Å; H441-L443 PolarHBondContact O-N 3.48Å
444	I	96.9	Very high	97.4	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-112.9	5	-177.7	74	177.8	0	0	0	114.4	V325 L402 A440 H441 Q442 S446 T447 G448 V451 V502	V325-I444 HydrophobicContact CG2-CD1 3.92Å; V325-I444 HydrophobicContact CG2-CG2 3.55Å; L402-I444 HydrophobicContact CD1-CG2 4.48Å; L402-I444 HydrophobicContact CD2-CG2 4.1Å; A440-I444 PolarHBondContact O-N 2.89Å; H441-I444 PolarHBondContact O-N 3.35Å; Q442-I444 VanDerWaalsContact C-N 3.27Å; Q442-I444 PolarHBondContact O-N 3.01Å; I444-S446 PolarHBondContact O-N 3.33Å; I444-S446 VanDerWaalsContact O-N 3.08Å; I444-T447 PolarHBondContact O-N 3.38Å; I444-G448 PolarHBondContact O-N 3.23Å; I444-V451 HydrophobicContact CD1-CG2 4.21Å; I444-V502 HydrophobicContact CD1-CG1 4.01Å; I444-V502 HydrophobicContact CD1-CG2 3.97Å; I444-V502 HydrophobicContact CG1-CG1 4.36Å; I444-V502 HydrophobicContact CG1-CG2 3.66Å
445	A	96	Very high	97.4	Very high	24 Å²	24	11.5 Å²	11.5	20%	0.198	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-30.9	-172.4	0	0	0	0	0	114.7	H441 Q442 N500	H441-A445 WeakPolarHBondContact O-CB 3.36Å; H441-A445 PolarHBondContact O-N 3.35Å; Q442-A445 PolarHBondContact O-N 2.91Å; A445-N500 HydrophobicContact CB-CB 4.1Å; A445-N500 PolarHBondContact O-OD1 2.86Å
446	S	92.9	Very high	97.3	Very high	70 Å²	70	11.5 Å²	11.5	49%	0.49	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-32.6	175.1	52.6	0	0	0	0	113.4	R317 I444	R317-S446 PolarHBondContact NH1-O 3.11Å; I444-S446 PolarHBondContact O-N 3.33Å; I444-S446 VanDerWaalsContact O-N 3.08Å
447	T	93.6	Very high	97.2	Very high	22 Å²	22	12.8 Å²	12.8	14%	0.135	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-43.1	-175.6	-54.8	0	0	0	0	110.7	R317 P320 P321 C323 I444	R317-T447 PolarHBondContact NH2-O 3.01Å; P320-T447 HydrophobicContact CB-CG2 3.92Å; P320-T447 WeakPolarHBondContact CB-O 3.48Å; P320-T447 WeakPolarHBondContact CG-O 3.28Å; P321-T447 HydrophobicContact CG-CG2 4.37Å; C323-T447 HydrophobicContact CB-CG2 4.1Å; I444-T447 PolarHBondContact O-N 3.38Å
448	G	96.1	Very high	97.1	Very high	3 Å²	3	13.9 Å²	13.9	3%	0.031	8%	0.082	C	C	.	.			trans	82.1	-177.7	-157.4	0	0	0	0	0	111	C323 I444 N500 Q501	C323-G448 WeakPolarHBondContact CB-O 3.22Å; I444-G448 PolarHBondContact O-N 3.23Å; G448-N500 VanDerWaalsContact CA-O 3.25Å; G448-N500 WeakPolarHBondContact CA-O 3.22Å; G448-Q501 WeakPolarHBondContact CA-O 3.4Å
449	G	97	Very high	97.1	Very high	3 Å²	3	13.6 Å²	13.6	3%	0.031	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142.6	-153.7	176.5	0	0	0	0	0	114.1	C323 Q501 A503	C323-G449 WeakPolarHBondContact O-CA 3.34Å; G449-Q501 PolarHBondContact N-O 3.44Å; G449-A503 PolarHBondContact O-N 2.88Å
450	R	98	Very high	97.1	Very high	5 Å²	5	16.2 Å²	16.2	2%	0.019	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	115.5	-173.9	-178.2	-165.2	-163.1	-177.4	6.7	110.7	C323 Y324 V325 A503 D505 Y555 I560 F562	C323-R450 PolarHBondContact O-N 2.94Å; Y324-R450 HydrophobicContact CD1-CB 4.05Å; Y324-R450 HydrophobicContact CE1-CB 4.29Å; V325-R450 PolarHBondContact N-O 3.09Å; R450-A503 WeakPolarHBondContact CA-O 3.24Å; R450-D505 IonicContact CZ-OD2 2.68Å; R450-D505 VanDerWaalsContact CZ-OD2 3.3Å; R450-D505 IonicContact NE-OD2 3.41Å; R450-D505 PolarHBondContact NE-OD2 3.23Å; R450-D505 IonicContact NH2-OD2 2.81Å; R450-D505 PolarHBondContact NH2-OD2 3.04Å; R450-Y555 VanDerWaalsContact CZ-CZ 3.47Å; R450-Y555 PolarHBondContact NE-OH 2.7Å; R450-Y555 PolarHBondContact NH1-O 3.16Å; R450-Y555 VanDerWaalsContact NH2-CD2 3.3Å; R450-Y555 PolarHBondContact NH2-O 2.8Å; R450-Y555 PolarHBondContact NH2-OH 3.19Å; R450-I560 HydrophobicContact CG-CD1 4.45Å; R450-F562 HydrophobicContact CB-CE1 4.34Å
451	V	98.7	Very high	97	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	126.1	164.4	-174.3	0	0	0	0	108.2	V325 V327 I437 A440 I444 V502 A503 V504 D505	V325-V451 HydrophobicContact CB-CG2 4.3Å; V325-V451 CarbonylContact O-C 3.58Å; V325-V451 WeakPolarHBondContact O-CA 3.4Å; V327-V451 HydrophobicContact CG2-CG1 3.71Å; I437-V451 HydrophobicContact CD1-CG1 4.27Å; A440-V451 HydrophobicContact CB-CG1 4.15Å; A440-V451 HydrophobicContact CB-CG2 4.08Å; I444-V451 HydrophobicContact CD1-CG2 4.21Å; V451-V502 HydrophobicContact CG2-CG1 3.85Å; V451-A503 PolarHBondContact N-O 2.99Å; V451-V504 HydrophobicContact CB-CG1 4.34Å; V451-V504 HydrophobicContact CB-CG2 4.18Å; V451-V504 HydrophobicContact CG1-CG1 4.4Å; V451-V504 HydrophobicContact CG2-CG2 4.45Å; V451-V504 WeakPolarHBondContact O-CA 3.38Å; V451-D505 PolarHBondContact O-N 3.21Å
452	T	98.7	Very high	97	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.006	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	110.7	168.3	-57.7	0	0	0	0	107.6	V325 F326 V327 F454 F507 Y555	V325-T452 PolarHBondContact O-N 2.73Å; F326-T452 WeakPolarHBondContact CA-O 3.46Å; F326-T452 HydrophobicContact CD1-CG2 4.15Å; F326-T452 HydrophobicContact CE1-CG2 4.43Å; V327-T452 PolarHBondContact N-O 2.84Å; T452-F454 HydrophobicContact CG2-CD2 4.49Å; T452-F454 HydrophobicContact CG2-CE2 3.65Å; T452-F454 HydrophobicContact CG2-CZ 3.66Å; T452-F507 HydrophobicContact CG2-CD2 3.99Å; T452-F507 HydrophobicContact CG2-CE2 4.09Å; T452-Y555 WeakPolarHBondContact CB-OH 3.2Å; T452-Y555 HydrophobicContact CG2-CE1 3.81Å; T452-Y555 WeakPolarHBondContact CG2-OH 3.4Å; T452-Y555 PolarHBondContact OG1-OH 3.32Å
453	A	98.6	Very high	97	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	128.7	-174.7	0	0	0	0	0	111.1	V327 F433 I437 V504 D505 L506 F507	V327-A453 HydrophobicContact CB-CB 4.41Å; V327-A453 WeakPolarHBondContact O-CA 3.38Å; F433-A453 HydrophobicContact CE2-CB 3.88Å; F433-A453 HydrophobicContact CZ-CB 3.85Å; I437-A453 HydrophobicContact CD1-CB 3.68Å; A453-V504 HydrophobicContact CB-CG1 4.38Å; A453-D505 PolarHBondContact N-O 3.45Å; A453-L506 CarbonylContact O-C 3.6Å; A453-L506 WeakPolarHBondContact O-CA 3.43Å; A453-F507 PolarHBondContact O-N 2.96Å
454	F	98.5	Very high	97	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	142.1	175.9	-62	-83.6	0	0	0	110.2	V327 F328 D329 Y339 F343 T452 F507 L509 F548	V327-F454 PolarHBondContact O-N 2.83Å; F328-F454 AromaticContact CD1-CD2 3.48Å; F328-F454 HydrophobicContact CD1-CD2 3.48Å; F328-F454 VanDerWaalsContact CD1-CD2 3.48Å; F328-F454 AromaticContact CD1-CE2 3.86Å; F328-F454 HydrophobicContact CD1-CE2 3.86Å; F328-F454 HydrophobicContact CD1-CG 4.36Å; F328-F454 AromaticContact CE1-CD2 3.74Å; F328-F454 HydrophobicContact CE1-CD2 3.74Å; F328-F454 AromaticContact CE1-CE2 3.59Å; F328-F454 HydrophobicContact CE1-CE2 3.59Å; D329-F454 VanDerWaalsContact CB-O 3.29Å; D329-F454 WeakPolarHBondContact CB-O 3.22Å; D329-F454 PolarHBondContact N-O 3.13Å; Y339-F454 HydrophobicContact CD2-CD1 4.06Å; Y339-F454 HydrophobicContact CD2-CG 4.34Å; Y339-F454 HydrophobicContact CE2-CB 3.58Å; Y339-F454 AromaticContact CE2-CD1 3.67Å; Y339-F454 HydrophobicContact CE2-CD1 3.67Å; Y339-F454 HydrophobicContact CE2-CD2 4.11Å; Y339-F454 HydrophobicContact CE2-CE1 4.4Å; Y339-F454 AromaticContact CE2-CG 3.5Å; Y339-F454 HydrophobicContact CE2-CG 3.5Å; Y339-F454 VanDerWaalsContact CE2-CG 3.5Å; Y339-F454 WeakPolarHBondContact OH-CB 3.36Å; F343-F454 HydrophobicContact CD1-CE2 4.16Å; F343-F454 HydrophobicContact CD1-CZ 4.13Å; F343-F454 HydrophobicContact CD2-CE1 4.12Å; F343-F454 HydrophobicContact CD2-CE2 4.34Å; F343-F454 AromaticContact CD2-CZ 3.51Å; F343-F454 HydrophobicContact CD2-CZ 3.51Å; F343-F454 HydrophobicContact CE1-CE2 4.02Å; F343-F454 HydrophobicContact CE1-CZ 4.1Å; F343-F454 HydrophobicContact CE2-CE1 4.44Å; F343-F454 HydrophobicContact CE2-CE2 4.24Å; F343-F454 AromaticContact CE2-CZ 3.52Å; F343-F454 HydrophobicContact CE2-CZ 3.52Å; F343-F454 HydrophobicContact CG-CE1 4.45Å; F343-F454 HydrophobicContact CG-CE2 4.31Å; F343-F454 AromaticContact CG-CZ 3.83Å; F343-F454 HydrophobicContact CG-CZ 3.83Å; F343-F454 HydrophobicContact CZ-CE2 4.07Å; F343-F454 AromaticContact CZ-CZ 3.82Å; F343-F454 HydrophobicContact CZ-CZ 3.82Å; T452-F454 HydrophobicContact CG2-CD2 4.49Å; T452-F454 HydrophobicContact CG2-CE2 3.65Å; T452-F454 HydrophobicContact CG2-CZ 3.66Å; F454-F507 WeakPolarHBondContact CA-O 3.41Å; F454-F507 HydrophobicContact CD1-CB 3.38Å; F454-F507 AromaticContact CD1-CG 3.98Å; F454-F507 HydrophobicContact CD1-CG 3.98Å; F454-F507 HydrophobicContact CE1-CB 3.68Å; F454-F507 HydrophobicContact CE1-CD1 4.23Å; F454-F507 HydrophobicContact CE1-CD2 4.19Å; F454-F507 AromaticContact CE1-CG 3.74Å; F454-F507 HydrophobicContact CE1-CG 3.74Å; F454-F507 HydrophobicContact CG-CB 4.25Å; F454-L509 HydrophobicContact CB-CD1 4.42Å; F454-L509 HydrophobicContact CD1-CD1 3.59Å; F454-L509 HydrophobicContact CE1-CD1 4.38Å; F454-L509 HydrophobicContact CG-CD1 4.44Å; F454-F548 HydrophobicContact CE1-CE2 4.32Å; F454-F548 HydrophobicContact CE1-CZ 4.25Å
455	L	97.6	Very high	97	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.01	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	125.5	-173.5	-172.5	62.8	0	0	0	110.6	L431 F433 N457 P459 L506 F507 I508 L509 V514 V519	L431-L455 HydrophobicContact CD2-CD1 3.33Å; F433-L455 HydrophobicContact CD2-CD1 3.87Å; F433-L455 HydrophobicContact CE2-CB 4.44Å; F433-L455 HydrophobicContact CE2-CD1 4.22Å; F433-L455 HydrophobicContact CG-CD1 4.13Å; L455-N457 WeakPolarHBondContact CD1-O 3.25Å; L455-P459 HydrophobicContact CD1-CG 4.17Å; L455-L506 HydrophobicContact CB-CD1 4Å; L455-L506 HydrophobicContact CD2-CD1 4.13Å; L455-F507 PolarHBondContact N-O 3.38Å; L455-I508 CarbonylContact O-C 3.39Å; L455-I508 VanDerWaalsContact O-CA 3.29Å; L455-I508 WeakPolarHBondContact O-CA 3.15Å; L455-L509 PolarHBondContact O-N 2.83Å; L455-V514 HydrophobicContact CD2-CB 3.99Å; L455-V514 HydrophobicContact CD2-CG2 4.07Å; L455-V514 HydrophobicContact CG-CB 4.28Å; L455-V514 HydrophobicContact CG-CG1 4.33Å; L455-V519 HydrophobicContact CD2-CB 4.48Å; L455-V519 HydrophobicContact CD2-CG2 3.93Å
456	A	96.6	Very high	97.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.121	C	C	.	.			trans	-131.6	-19.5	174.5	0	0	0	0	0	112.7	D329 A334 S510	D329-A456 PolarHBondContact OD2-N 2.78Å; A334-A456 HydrophobicContact CB-CB 3.75Å; A456-S510 VanDerWaalsContact O-CB 3.29Å; A456-S510 WeakPolarHBondContact O-CB 3.46Å; A456-S510 PolarHBondContact O-OG 3.43Å
457	N	95.9	Very high	97.2	Very high	27 Å²	27	24.4 Å²	24.4	14%	0.144	14%	0.135	C	C	.	.	S	Bend	trans	-111.7	164.7	175.9	-162.3	28.1	0	0	0	113	D329 S331 A333 P429 L431 L455 V514	D329-N457 PolarHBondContact OD2-N 3.11Å; S331-N457 WeakPolarHBondContact OG-CB 3.24Å; A333-N457 HydrophobicContact CB-CB 4.25Å; P429-N457 PolarHBondContact O-ND2 2.8Å; L431-N457 HydrophobicContact CB-CB 4.48Å; L431-N457 HydrophobicContact CD2-CB 4.2Å; L455-N457 WeakPolarHBondContact CD1-O 3.25Å; N457-V514 WeakPolarHBondContact O-CG1 3.46Å
458	L	97.7	Very high	97.3	Very high	22 Å²	22	28.6 Å²	28.6	12%	0.115	16%	0.157	C	C	.	.			trans	-71.5	130.8	172.3	-176	68.8	0	0	0	109.7	D460 L466 N468 F513 D515	L458-D460 PolarHBondContact O-N 3.09Å; L458-L466 HydrophobicContact CD1-CB 4.07Å; L458-L466 HydrophobicContact CG-CB 4.45Å; L458-N468 HydrophobicContact CD2-CB 4.24Å; L458-F513 HydrophobicContact CD1-CD1 4.26Å; L458-F513 HydrophobicContact CD1-CE1 4.36Å; L458-D515 HydrophobicContact CD1-CB 4.07Å
459	P	97.8	Very high	97.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.162	C	C	.	.			trans	-65.1	102.4	168.4	-24.7	37.4	0	0	0	110.8	L431 F433 L455 L466 V519	L431-P459 HydrophobicContact CD2-CG 4.4Å; L431-P459 WeakPolarHBondContact O-CA 3.28Å; F433-P459 HydrophobicContact CB-CB 3.76Å; F433-P459 HydrophobicContact CB-CG 3.58Å; F433-P459 HydrophobicContact CD1-CG 4.09Å; F433-P459 HydrophobicContact CG-CG 4.08Å; L455-P459 HydrophobicContact CD1-CG 4.17Å; P459-L466 WeakPolarHBondContact O-CA 3.43Å; P459-L466 WeakPolarHBondContact O-CB 3.44Å; P459-L466 PolarHBondContact O-N 3.22Å; P459-V519 HydrophobicContact CG-CG1 4.01Å
460	D	97.6	Very high	97.1	Very high	54 Å²	54	31.4 Å²	31.4	29%	0.289	17%	0.167	S	C	.	.			trans	-114	-9.4	-169.4	68.6	-21.8	0	0	0	114.3	H430 L431 L458	H430-D460 VanDerWaalsContact CA-OD1 3.32Å; H430-D460 WeakPolarHBondContact CA-OD1 3.31Å; H430-D460 IonicContact CE1-OD2 2.96Å; H430-D460 IonicContact CG-OD2 3.1Å; H430-D460 IonicContact ND1-OD1 3.71Å; H430-D460 IonicContact ND1-OD2 2.73Å; H430-D460 PolarHBondContact ND1-OD2 2.87Å; L431-D460 PolarHBondContact N-OD1 3.41Å; L431-D460 PolarHBondContact O-N 2.82Å; L458-D460 PolarHBondContact O-N 3.09Å
461	I	97.7	Very high	96.9	Very high	48 Å²	48	34.8 Å²	34.8	25%	0.246	19%	0.185	C	C	.	.	S	Bend	trans	-133	169.1	176.4	67	162.2	0	0	0	112.1	V390 H430 A432	V390-I461 HydrophobicContact CG2-CD1 4.27Å; H430-I461 HydrophobicContact CB-CD1 4.17Å; H430-I461 HydrophobicContact CB-CG1 4.37Å; H430-I461 HydrophobicContact CB-CG2 4.27Å; A432-I461 HydrophobicContact CB-CD1 4.11Å; A432-I461 HydrophobicContact CB-CG1 3.95Å
462	G	97.2	Very high	96.5	Very high	10 Å²	10	38 Å²	38	10%	0.103	21%	0.206	C	C	.	.	S	Bend	trans	71	-163.3	177.7	0	0	0	0	0	114.4	D391 G464 C465	D391-G462 VanDerWaalsContact OD1-C 3.25Å; D391-G462 VanDerWaalsContact OD1-CA 3.28Å; D391-G462 WeakPolarHBondContact OD1-CA 3.24Å; G462-G464 PolarHBondContact O-N 3.19Å; G462-C465 WeakPolarHBondContact O-CB 3.19Å; G462-C465 PolarHBondContact O-N 3.04Å
463	Q	97	Very high	96.2	Very high	53 Å²	53	44.7 Å²	44.7	25%	0.248	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	127.6	-178.6	-60.5	-179.9	2.2	0	0	110.4	D391 G434 S435 S438 C465 F489	D391-Q463 PolarHBondContact O-NE2 3.45Å; D391-Q463 PolarHBondContact OD1-N 2.83Å; G434-Q463 CarbonylContact C-O 3.54Å; G434-Q463 WeakPolarHBondContact CA-O 3.33Å; S435-Q463 WeakPolarHBondContact OG-CB 3.39Å; S435-Q463 WeakPolarHBondContact OG-CG 3.35Å; S435-Q463 PolarHBondContact OG-N 3.1Å; S438-Q463 PolarHBondContact OG-OE1 2.93Å; Q463-C465 VanDerWaalsContact C-N 3.35Å; Q463-F489 HydrophobicContact CB-CE2 3.76Å; Q463-F489 HydrophobicContact CB-CZ 3.67Å
464	G	96.1	Very high	95.7	Very high	15 Å²	15	49.2 Å²	49.2	16%	0.155	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	24.3	-179.9	0	0	0	0	0	114.9	G462 F489 Y490	G462-G464 PolarHBondContact O-N 3.19Å; G464-F489 VanDerWaalsContact CA-CD1 3.45Å; G464-Y490 VanDerWaalsContact O-CE2 3.29Å; G464-Y490 WeakPolarHBondContact O-CE2 3.37Å; G464-Y490 PolarHBondContact O-OH 2.83Å
465	C	97.5	Very high	95.3	Very high	70 Å²	70	52 Å²	52	47%	0.473	27%	0.274	S	S	.	.			trans	-55.3	147.3	172.8	64.5	0	0	0	0	112.9	G462 Q463	G462-C465 WeakPolarHBondContact O-CB 3.19Å; G462-C465 PolarHBondContact O-N 3.04Å; Q463-C465 VanDerWaalsContact C-N 3.35Å
466	L	97.9	Very high	94.8	Very high	9 Å²	9	54 Å²	54	5%	0.047	29%	0.291	C	S	.	.			trans	-127.4	159.3	-172.3	-54.9	179.9	0	0	0	110.3	L458 P459 V486 Y490 D515 T518 V519	L458-L466 HydrophobicContact CD1-CB 4.07Å; L458-L466 HydrophobicContact CG-CB 4.45Å; P459-L466 WeakPolarHBondContact O-CA 3.43Å; P459-L466 WeakPolarHBondContact O-CB 3.44Å; P459-L466 PolarHBondContact O-N 3.22Å; L466-V486 HydrophobicContact CD2-CG1 3.66Å; L466-Y490 HydrophobicContact CD1-CE2 4.31Å; L466-Y490 HydrophobicContact CD2-CE2 4.28Å; L466-Y490 HydrophobicContact CG-CE2 4.47Å; L466-D515 HydrophobicContact CD1-CB 3.95Å; L466-T518 HydrophobicContact CD1-CG2 4.15Å; L466-T518 HydrophobicContact CD2-CG2 3.69Å; L466-V519 HydrophobicContact CD1-CG1 3.66Å
467	Q	96.5	Very high	94.3	Very high	169 Å²	169	55.1 Å²	55.1	79%	0.79	30%	0.301	S	S	*	.			trans	-116.8	148	174.1	-66.4	-177.6	-7.4	0	0	109.6	R469	Q467-R469 PolarHBondContact O-N 2.63Å; Q467-R469 VanDerWaalsContact O-N 3.1Å
468	N	95.6	Very high	93.5	Very high	109 Å²	109	62.1 Å²	62.1	58%	0.583	33%	0.33	S	S	*	.			trans	-65	116.4	174.6	-171.9	-9.4	0	0	0	109.6	L458 E470 F513	L458-N468 HydrophobicContact CD2-CB 4.24Å; N468-E470 PolarHBondContact OD1-N 3.29Å; N468-E470 VanDerWaalsContact OD1-N 3.11Å; N468-F513 HydrophobicContact CB-CD1 4.31Å; N468-F513 VanDerWaalsContact OD1-CD1 3.24Å; N468-F513 WeakPolarHBondContact OD1-CD1 3.15Å
469	R	94.8	Very high	92.9	Very high	38 Å²	38	67.7 Å²	67.7	14%	0.143	36%	0.356	C	S	.	.			trans	-119.9	7.2	-177	64.1	-176.2	-176.6	141	7.2	113.2	Q467 H482 T484 F513 D515 A517 T518	Q467-R469 PolarHBondContact O-N 2.63Å; Q467-R469 VanDerWaalsContact O-N 3.1Å; R469-H482 HydrophobicContact CG-CB 4.2Å; R469-H482 PolarHBondContact NH2-O 2.81Å; R469-H482 PolarHBondContact O-CD2 2.95Å; R469-T484 VanDerWaalsContact CZ-O 3.3Å; R469-T484 PolarHBondContact NH1-O 3.37Å; R469-T484 PolarHBondContact NH2-O 3.43Å; R469-F513 HydrophobicContact CG-CE1 4.09Å; R469-F513 HydrophobicContact CG-CZ 3.91Å; R469-D515 IonicContact CZ-OD1 3.07Å; R469-D515 VanDerWaalsContact CZ-OD1 3.27Å; R469-D515 IonicContact CZ-OD2 3.01Å; R469-D515 IonicContact NE-OD1 1.86Å; R469-D515 PolarHBondContact NE-OD1 2.93Å; R469-D515 IonicContact NE-OD2 2.64Å; R469-D515 PolarHBondContact NE-OD2 2.96Å; R469-D515 VanDerWaalsContact NH2-CG 3.34Å; R469-D515 IonicContact NH2-OD1 3.78Å; R469-D515 PolarHBondContact NH2-OD1 2.83Å; R469-D515 IonicContact NH2-OD2 3.83Å; R469-D515 PolarHBondContact NH2-OD2 3.06Å; R469-D515 VanDerWaalsContact NH2-OD2 3.16Å; R469-A517 VanDerWaalsContact NH2-CB 3.29Å; R469-T518 PolarHBondContact NH2-OG1 2.9Å
470	E	93.7	Very high	92.5	Very high	27 Å²	27	69 Å²	69	13%	0.126	36%	0.364	C	S	.	.			trans	-88.7	121.7	171.7	-169.5	-172.7	-148.5	0	0	110	N468 P472 R475 F513 K736 L737	N468-E470 PolarHBondContact OD1-N 3.29Å; N468-E470 VanDerWaalsContact OD1-N 3.11Å; E470-P472 WeakPolarHBondContact O-CD 3.01Å; E470-R475 VanDerWaalsContact CD-NE 3.27Å; E470-R475 IonicContact OE1-CZ 3.85Å; E470-R475 IonicContact OE1-NE 3.54Å; E470-R475 PolarHBondContact OE1-NE 3Å; E470-R475 IonicContact OE1-NH2 3.85Å; E470-R475 IonicContact OE2-CZ 2.96Å; E470-R475 IonicContact OE2-NE 3.45Å; E470-R475 PolarHBondContact OE2-NE 3.12Å; E470-R475 IonicContact OE2-NH2 3.63Å; E470-R475 PolarHBondContact OE2-NH2 3.22Å; E470-F513 HydrophobicContact CB-CD1 4.5Å; E470-F513 HydrophobicContact CB-CD2 3.81Å; E470-F513 HydrophobicContact CB-CE2 3.91Å; E470-F513 HydrophobicContact CB-CG 4.12Å; E470-F513 HydrophobicContact CB-CZ 4.28Å; E470-K736 WeakPolarHBondContact OE1-CA 3.37Å; E470-L737 HydrophobicContact CG-CB 4.17Å; E470-L737 PolarHBondContact OE1-N 3Å
471	D	92.7	Very high	92.1	Very high	76 Å²	76	73 Å²	73	41%	0.406	38%	0.378	S	S	.	.			trans	-92.4	112.6	163.6	-180	-6.2	0	0	0	109.3	N473 M474	D471-N473 PolarHBondContact O-N 3.43Å; D471-N473 VanDerWaalsContact O-N 3.14Å; D471-N473 WeakPolarHBondContact OD1-CB 3.44Å; D471-N473 PolarHBondContact OD1-N 3.27Å; D471-N473 PolarHBondContact OD1-ND2 3.3Å; D471-M474 HydrophobicContact CB-CB 4.16Å; D471-M474 HydrophobicContact CB-CG 4.01Å; D471-M474 PolarHBondContact O-N 3.39Å; D471-M474 VanDerWaalsContact OD2-CG 3.31Å; D471-M474 WeakPolarHBondContact OD2-CG 3.22Å
472	P	91.2	Very high	91.9	Very high	68 Å²	68	74.8 Å²	74.8	44%	0.442	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-53.9	-31.1	177.6	-29.1	37.8	0	0	0	114.5	E470 M474 R475	E470-P472 WeakPolarHBondContact O-CD 3.01Å; P472-M474 VanDerWaalsContact C-N 3.29Å; P472-M474 PolarHBondContact O-N 3.05Å; P472-R475 WeakPolarHBondContact O-CG 3.25Å
473	N	91.7	Very high	91.7	Very high	141 Å²	141	75 Å²	75	75%	0.754	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-73.5	-24.2	-178.5	-53.9	-70.3	0	0	0	112.1	D471	D471-N473 PolarHBondContact O-N 3.43Å; D471-N473 VanDerWaalsContact O-N 3.14Å; D471-N473 WeakPolarHBondContact OD1-CB 3.44Å; D471-N473 PolarHBondContact OD1-N 3.27Å; D471-N473 PolarHBondContact OD1-ND2 3.3Å
474	M	89.5	Confident	91.6	Very high	96 Å²	96	75.2 Å²	75.2	47%	0.473	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-92.8	-1.9	-177.8	-63.3	-64.2	-66.3	0	0	113.4	D471 P472 A476 A477	D471-M474 HydrophobicContact CB-CB 4.16Å; D471-M474 HydrophobicContact CB-CG 4.01Å; D471-M474 PolarHBondContact O-N 3.39Å; D471-M474 VanDerWaalsContact OD2-CG 3.31Å; D471-M474 WeakPolarHBondContact OD2-CG 3.22Å; P472-M474 VanDerWaalsContact C-N 3.29Å; P472-M474 PolarHBondContact O-N 3.05Å; M474-A476 PolarHBondContact O-N 3.28Å; M474-A476 VanDerWaalsContact O-N 3.17Å; M474-A477 HydrophobicContact CE-CB 3.93Å; M474-A477 WeakPolarHBondContact O-CB 3.36Å; M474-A477 PolarHBondContact O-N 3.21Å
475	R	88.5	Confident	91.6	Very high	57 Å²	57	75.9 Å²	75.9	22%	0.215	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-29.4	-179.8	-72.7	177.6	179.4	144.1	3	114.5	E470 P472 S734	E470-R475 VanDerWaalsContact CD-NE 3.27Å; E470-R475 IonicContact OE1-CZ 3.85Å; E470-R475 IonicContact OE1-NE 3.54Å; E470-R475 PolarHBondContact OE1-NE 3Å; E470-R475 IonicContact OE1-NH2 3.85Å; E470-R475 IonicContact OE2-CZ 2.96Å; E470-R475 IonicContact OE2-NE 3.45Å; E470-R475 PolarHBondContact OE2-NE 3.12Å; E470-R475 IonicContact OE2-NH2 3.63Å; E470-R475 PolarHBondContact OE2-NH2 3.22Å; P472-R475 WeakPolarHBondContact O-CG 3.25Å; R475-S734 WeakPolarHBondContact CB-OG 2.94Å
476	A	86.9	Confident	91.5	Very high	44 Å²	44	76.7 Å²	76.7	36%	0.364	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	5.2	178.2	0	0	0	0	0	113.8	M474 G732	M474-A476 PolarHBondContact O-N 3.28Å; M474-A476 VanDerWaalsContact O-N 3.17Å; A476-G732 WeakPolarHBondContact O-CA 3.44Å
477	A	85.9	Confident	91.4	Very high	25 Å²	25	78.3 Å²	78.3	21%	0.207	41%	0.407	C	S	.	.	S	Bend	trans	-63	158.1	-179.2	0	0	0	0	0	112.6	M474 E479	M474-A477 HydrophobicContact CE-CB 3.93Å; M474-A477 WeakPolarHBondContact O-CB 3.36Å; M474-A477 PolarHBondContact O-N 3.21Å; A477-E479 VanDerWaalsContact C-N 3.32Å
478	K	80.1	Confident	91.3	Very high	174 Å²	174	74.9 Å²	74.9	76%	0.757	39%	0.394	S	S	*	.	S	Bend	trans	-66.9	-35.2	175	-66.5	-174.7	-179.6	179.8	0	112.2
479	E	85	Confident	91.5	Very high	139 Å²	139	72.1 Å²	72.1	65%	0.65	38%	0.377	S	S	*	.	S	Bend	trans	-107.4	117.1	174.2	-64.9	-168.4	155.8	0	0	109.9	A477	A477-E479 VanDerWaalsContact C-N 3.32Å
480	V	88.6	Confident	91.6	Very high	28 Å²	28	70.3 Å²	70.3	17%	0.17	37%	0.371	C	S	.	.			trans	-88.1	119.2	175.1	-178.4	0	0	0	0	108.5	M483 L677 L737	V480-M483 HydrophobicContact CB-CG 4.41Å; V480-M483 HydrophobicContact CB-SD 4.04Å; V480-M483 HydrophobicContact CG1-CG 3.85Å; V480-M483 HydrophobicContact CG1-SD 3.98Å; V480-L677 HydrophobicContact CB-CD2 4.34Å; V480-L677 HydrophobicContact CG2-CD2 3.69Å; V480-L737 HydrophobicContact CG1-CD1 4.22Å
481	K	89.9	Confident	91.8	Very high	137 Å²	137	71.3 Å²	71.3	60%	0.596	37%	0.374	S	S	*	.			trans	-87.2	171.2	177.2	-64.5	-178	179.2	178.9	0	111.2	M483	K481-M483 VanDerWaalsContact C-N 3.26Å; K481-M483 PolarHBondContact O-N 2.73Å; K481-M483 VanDerWaalsContact O-N 3.16Å
482	H	92.7	Very high	92	Very high	85 Å²	85	72 Å²	72	39%	0.394	38%	0.378	S	S	.	.			trans	60.6	23.2	170.5	-49.1	-64	0	0	0	116	R469 T484 A517 L737	R469-H482 HydrophobicContact CG-CB 4.2Å; R469-H482 PolarHBondContact NH2-O 2.81Å; R469-H482 PolarHBondContact O-CD2 2.95Å; H482-T484 PolarHBondContact O-N 2.85Å; H482-A517 WeakPolarHBondContact O-CB 3.48Å; H482-L737 HydrophobicContact CB-CD2 3.74Å
483	M	93.4	Very high	92.4	Very high	15 Å²	15	69.3 Å²	69.3	7%	0.074	36%	0.359	C	S	.	.			trans	-74	-10.3	176.3	-60.8	-170.9	-61.7	0	0	114.6	V480 K481 C671 L677 L737 I741 M744	V480-M483 HydrophobicContact CB-CG 4.41Å; V480-M483 HydrophobicContact CB-SD 4.04Å; V480-M483 HydrophobicContact CG1-CG 3.85Å; V480-M483 HydrophobicContact CG1-SD 3.98Å; K481-M483 VanDerWaalsContact C-N 3.26Å; K481-M483 PolarHBondContact O-N 2.73Å; K481-M483 VanDerWaalsContact O-N 3.16Å; M483-C671 HydrophobicContact CE-CB 4.32Å; M483-L677 HydrophobicContact CE-CB 4.13Å; M483-L737 HydrophobicContact CG-CD1 4.26Å; M483-I741 HydrophobicContact CB-CD1 3.83Å; M483-I741 HydrophobicContact CG-CD1 4.12Å; M483-M744 HydrophobicContact SD-CE 4.08Å
484	T	95	Very high	92.7	Very high	57 Å²	57	62.6 Å²	62.6	35%	0.35	32%	0.324	S	S	.	.	S	Bend	trans	-101.6	154.9	176.6	60.8	0	0	0	0	110.5	R469 H482	R469-T484 VanDerWaalsContact CZ-O 3.3Å; R469-T484 PolarHBondContact NH1-O 3.37Å; R469-T484 PolarHBondContact NH2-O 3.43Å; H482-T484 PolarHBondContact O-N 2.85Å
485	A	95.9	Very high	93	Very high	29 Å²	29	60.8 Å²	60.8	24%	0.24	32%	0.316	C	S	.	.			trans	-51.8	144.2	168.1	0	0	0	0	0	111.5	A517 T518	A485-A517 WeakPolarHBondContact CA-O 3.23Å; A485-A517 PolarHBondContact N-O 3.09Å; A485-T518 WeakPolarHBondContact CA-OG1 3.41Å; A485-T518 HydrophobicContact CB-CG2 4.27Å
486	V	95.8	Very high	93.4	Very high	88 Å²	88	62 Å²	62	53%	0.533	33%	0.326	S	S	.	.	S	Bend	trans	-84.3	-25.1	176.3	73.1	0	0	0	0	112.6	L466 T518	L466-V486 HydrophobicContact CD2-CG1 3.66Å; V486-T518 HydrophobicContact CG1-CG2 4.17Å; V486-T518 PolarHBondContact N-OG1 2.74Å
487	C	94.8	Very high	94	Very high	43 Å²	43	59.9 Å²	59.9	29%	0.291	31%	0.309	S	S	.	.			trans	-142.1	155.5	179.9	66.5	0	0	0	0	110.7	F489	C487-F489 VanDerWaalsContact C-N 3.31Å; C487-F489 PolarHBondContact O-N 2.82Å
488	D	96.3	Very high	94.5	Very high	97 Å²	97	58.9 Å²	58.9	52%	0.519	30%	0.3	S	S	.	.	S	Bend	trans	-82.8	-0.4	178	-79.2	-49.5	0	0	0	113.4	Y490 K491 L492	D488-Y490 PolarHBondContact O-N 2.85Å; D488-K491 WeakPolarHBondContact O-CB 3.44Å; D488-K491 PolarHBondContact O-N 2.82Å; D488-K491 VanDerWaalsContact O-N 3.15Å; D488-K491 IonicContact OD1-NZ 3.75Å; D488-L492 HydrophobicContact CB-CD1 4.33Å; D488-L492 HydrophobicContact CB-CG 4.34Å; D488-L492 WeakPolarHBondContact O-CG 3.4Å; D488-L492 PolarHBondContact O-N 2.85Å
489	F	98.1	Very high	95.2	Very high	51 Å²	51	52.2 Å²	52.2	22%	0.224	28%	0.278	C	S	.	.	H	α-helix	trans	-53.4	-57.3	-173.1	170.9	-95.6	0	0	0	113.1	Q463 G464 C487 K491 L492 L493	Q463-F489 HydrophobicContact CB-CE2 3.76Å; Q463-F489 HydrophobicContact CB-CZ 3.67Å; G464-F489 VanDerWaalsContact CA-CD1 3.45Å; C487-F489 VanDerWaalsContact C-N 3.31Å; C487-F489 PolarHBondContact O-N 2.82Å; F489-K491 PolarHBondContact O-N 3.48Å; F489-L492 PolarHBondContact O-N 2.87Å; F489-L492 VanDerWaalsContact O-N 3.17Å; F489-L493 HydrophobicContact CE1-CD2 4.13Å; F489-L493 HydrophobicContact CZ-CD2 4.1Å; F489-L493 WeakPolarHBondContact O-CB 3.49Å; F489-L493 PolarHBondContact O-N 2.99Å
490	Y	98.2	Very high	95.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.2	-31.2	-178.3	-67.2	-83.7	0	0	0	112.4	F433 G464 L466 D488 A494 T518 V519 I522	F433-Y490 AromaticContact CD1-CE1 3.96Å; F433-Y490 HydrophobicContact CD1-CE1 3.96Å; F433-Y490 HydrophobicContact CE1-CE1 4.22Å; G464-Y490 VanDerWaalsContact O-CE2 3.29Å; G464-Y490 WeakPolarHBondContact O-CE2 3.37Å; G464-Y490 PolarHBondContact O-OH 2.83Å; L466-Y490 HydrophobicContact CD1-CE2 4.31Å; L466-Y490 HydrophobicContact CD2-CE2 4.28Å; L466-Y490 HydrophobicContact CG-CE2 4.47Å; D488-Y490 PolarHBondContact O-N 2.85Å; Y490-A494 VanDerWaalsContact O-CB 3.3Å; Y490-A494 WeakPolarHBondContact O-CB 3.32Å; Y490-A494 PolarHBondContact O-N 3.47Å; Y490-T518 HydrophobicContact CD2-CG2 3.71Å; Y490-T518 HydrophobicContact CE2-CG2 4.06Å; Y490-V519 HydrophobicContact CE1-CG1 4.36Å; Y490-V519 HydrophobicContact CE2-CG1 4.32Å; Y490-I522 HydrophobicContact CD1-CB 4.48Å
491	K	96.8	Very high	96.1	Very high	48 Å²	48	48.1 Å²	48.1	21%	0.209	26%	0.258	C	S	.	.	H	α-helix	trans	-73.2	-42.4	176.3	175.2	174.9	177.3	-173.2	0	112.2	D488 F489 A494 L495 D521 Y525	D488-K491 WeakPolarHBondContact O-CB 3.44Å; D488-K491 PolarHBondContact O-N 2.82Å; D488-K491 VanDerWaalsContact O-N 3.15Å; D488-K491 IonicContact OD1-NZ 3.75Å; F489-K491 PolarHBondContact O-N 3.48Å; K491-A494 WeakPolarHBondContact O-CB 3.49Å; K491-A494 PolarHBondContact O-N 3.08Å; K491-L495 WeakPolarHBondContact O-CG 3.31Å; K491-L495 PolarHBondContact O-N 2.74Å; K491-L495 VanDerWaalsContact O-N 3.15Å; K491-D521 HydrophobicContact CB-CB 4.22Å; K491-Y525 HydrophobicContact CB-CD2 4.24Å; K491-Y525 HydrophobicContact CB-CE2 4.12Å; K491-Y525 HydrophobicContact CD-CD2 4.48Å; K491-Y525 HydrophobicContact CD-CE2 3.74Å; K491-Y525 HydrophobicContact CG-CD2 3.83Å; K491-Y525 HydrophobicContact CG-CE2 3.58Å
492	L	98	Very high	96.5	Very high	91 Å²	91	41.6 Å²	41.6	48%	0.476	23%	0.23	S	C	.	.	H	α-helix	trans	-63.5	-48.6	174.6	-69.4	172.7	0	0	0	110.6	D488 F489 A494 L495 D496	D488-L492 HydrophobicContact CB-CD1 4.33Å; D488-L492 HydrophobicContact CB-CG 4.34Å; D488-L492 WeakPolarHBondContact O-CG 3.4Å; D488-L492 PolarHBondContact O-N 2.85Å; F489-L492 PolarHBondContact O-N 2.87Å; F489-L492 VanDerWaalsContact O-N 3.17Å; L492-A494 PolarHBondContact O-N 2.87Å; L492-L495 HydrophobicContact CD2-CD1 4.48Å; L492-L495 WeakPolarHBondContact O-CA 3.4Å; L492-L495 WeakPolarHBondContact O-CB 3.31Å; L492-L495 PolarHBondContact O-N 2.91Å; L492-D496 PolarHBondContact O-N 3.13Å; L492-D496 VanDerWaalsContact O-N 3.14Å
493	L	98.2	Very high	96.8	Very high	11 Å²	11	37.6 Å²	37.6	6%	0.058	21%	0.211	C	C	.	.	H	α-helix	trans	-57.7	-35.2	174.4	-177.8	59.6	0	0	0	112	I437 H441 F489 L495 D496 C497 I522	I437-L493 HydrophobicContact CB-CD2 4.1Å; I437-L493 HydrophobicContact CG2-CD2 3.83Å; H441-L493 HydrophobicContact CB-CD1 4.33Å; F489-L493 HydrophobicContact CE1-CD2 4.13Å; F489-L493 HydrophobicContact CZ-CD2 4.1Å; F489-L493 WeakPolarHBondContact O-CB 3.49Å; F489-L493 PolarHBondContact O-N 2.99Å; L493-L495 PolarHBondContact O-N 2.84Å; L493-D496 PolarHBondContact O-N 2.83Å; L493-C497 WeakPolarHBondContact O-CB 3.42Å; L493-C497 PolarHBondContact O-N 2.86Å; L493-C497 PolarHBondContact O-SG 3.22Å; L493-I522 HydrophobicContact CB-CD1 4.03Å; L493-I522 HydrophobicContact CD2-CD1 3.98Å; L493-I522 HydrophobicContact CG-CD1 3.75Å
494	A	97.9	Very high	97	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65.9	-33.3	173.9	0	0	0	0	0	113.7	Y490 K491 L492 T498 I522 T526	Y490-A494 VanDerWaalsContact O-CB 3.3Å; Y490-A494 WeakPolarHBondContact O-CB 3.32Å; Y490-A494 PolarHBondContact O-N 3.47Å; K491-A494 WeakPolarHBondContact O-CB 3.49Å; K491-A494 PolarHBondContact O-N 3.08Å; L492-A494 PolarHBondContact O-N 2.87Å; A494-T498 VanDerWaalsContact O-CB 3.31Å; A494-T498 WeakPolarHBondContact O-CB 3.4Å; A494-T498 PolarHBondContact O-N 3.19Å; A494-T498 PolarHBondContact O-OG1 3.35Å; A494-I522 HydrophobicContact CB-CD1 4.05Å; A494-T526 HydrophobicContact CB-CG2 4.09Å
495	L	96.4	Very high	97.2	Very high	58 Å²	58	34.1 Å²	34.1	30%	0.304	19%	0.191	S	C	.	.	H	α-helix	trans	-67.7	-43	174.3	-61.5	179.7	0	0	0	110.6	K491 L492 L493 T498 A499 F584	K491-L495 WeakPolarHBondContact O-CG 3.31Å; K491-L495 PolarHBondContact O-N 2.74Å; K491-L495 VanDerWaalsContact O-N 3.15Å; L492-L495 HydrophobicContact CD2-CD1 4.48Å; L492-L495 WeakPolarHBondContact O-CA 3.4Å; L492-L495 WeakPolarHBondContact O-CB 3.31Å; L492-L495 PolarHBondContact O-N 2.91Å; L493-L495 PolarHBondContact O-N 2.84Å; L495-T498 PolarHBondContact O-N 3.28Å; L495-A499 WeakPolarHBondContact O-CB 3.48Å; L495-A499 PolarHBondContact O-N 3.48Å; L495-F584 HydrophobicContact CD2-CD2 3.43Å; L495-F584 VanDerWaalsContact CD2-CD2 3.43Å; L495-F584 HydrophobicContact CD2-CE2 3.35Å; L495-F584 HydrophobicContact CD2-CG 4.47Å; L495-F584 HydrophobicContact CD2-CZ 4.34Å
496	D	97.7	Very high	97.3	Very high	81 Å²	81	32.8 Å²	32.8	43%	0.433	18%	0.18	S	C	.	.	H	α-helix	trans	-66.7	-42.3	177	-64.1	-35.3	0	0	0	111.4	H441 L492 L493 T498 A499 N500	H441-D496 PolarHBondContact NE2-O 3.33Å; L492-D496 PolarHBondContact O-N 3.13Å; L492-D496 VanDerWaalsContact O-N 3.14Å; L493-D496 PolarHBondContact O-N 2.83Å; D496-T498 PolarHBondContact O-N 3.49Å; D496-A499 PolarHBondContact O-N 3.4Å; D496-N500 WeakPolarHBondContact O-CB 3.39Å; D496-N500 PolarHBondContact O-N 3.21Å; D496-N500 VanDerWaalsContact O-N 3.09Å; D496-N500 PolarHBondContact O-ND2 3.09Å
497	C	98.1	Very high	97.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-56.3	-49	170.2	-71.4	0	0	0	0	111.1	L493 A499 N500 Q501 V502 T526	L493-C497 WeakPolarHBondContact O-CB 3.42Å; L493-C497 PolarHBondContact O-N 2.86Å; L493-C497 PolarHBondContact O-SG 3.22Å; C497-A499 PolarHBondContact O-N 3.31Å; C497-N500 CarbonylContact O-C 3.53Å; C497-N500 PolarHBondContact O-N 3.1Å; C497-N500 VanDerWaalsContact O-N 3.15Å; C497-Q501 PolarHBondContact O-N 3.06Å; C497-V502 CarbonylContact C-O 3.49Å; C497-V502 HydrophobicContact CB-CB 4.01Å; C497-V502 HydrophobicContact CB-CG1 4.33Å; C497-V502 WeakPolarHBondContact CB-O 3.3Å; C497-V502 PolarHBondContact O-N 3.11Å; C497-T526 HydrophobicContact CB-CG2 3.49Å; C497-T526 VanDerWaalsContact CB-CG2 3.49Å
498	T	96.6	Very high	97.6	Very high	5 Å²	5	26.6 Å²	26.6	3%	0.031	14%	0.141	C	C	.	.	H	α-helix	trans	-66.2	-35.9	-178.7	-55	0	0	0	0	112.8	A494 L495 D496 N500 Q501 Y525 T526 F584 V592	A494-T498 VanDerWaalsContact O-CB 3.31Å; A494-T498 WeakPolarHBondContact O-CB 3.4Å; A494-T498 PolarHBondContact O-N 3.19Å; A494-T498 PolarHBondContact O-OG1 3.35Å; L495-T498 PolarHBondContact O-N 3.28Å; D496-T498 PolarHBondContact O-N 3.49Å; T498-N500 VanDerWaalsContact C-N 3.3Å; T498-N500 PolarHBondContact O-N 3.41Å; T498-Q501 PolarHBondContact O-N 3.42Å; T498-Q501 PolarHBondContact O-NE2 3.5Å; T498-Y525 PolarHBondContact OG1-O 2.93Å; T498-T526 WeakPolarHBondContact OG1-CA 3.22Å; T498-F584 HydrophobicContact CG2-CB 3.8Å; T498-F584 HydrophobicContact CG2-CG 4.37Å; T498-V592 HydrophobicContact CG2-CB 4.38Å; T498-V592 HydrophobicContact CG2-CG1 3.85Å
499	A	95.4	Very high	97.6	Very high	34 Å²	34	22 Å²	22	28%	0.281	12%	0.117	S	C	.	.	H	α-helix	trans	-61.9	-41.6	173.4	0	0	0	0	0	111.1	P18 L495 D496 C497 Q501	P18-A499 HydrophobicContact CG-CB 4.02Å; L495-A499 WeakPolarHBondContact O-CB 3.48Å; L495-A499 PolarHBondContact O-N 3.48Å; D496-A499 PolarHBondContact O-N 3.4Å; C497-A499 PolarHBondContact O-N 3.31Å; A499-Q501 VanDerWaalsContact C-N 3.31Å; A499-Q501 PolarHBondContact O-N 3.03Å; A499-Q501 PolarHBondContact O-NE2 3.18Å
500	N	96.4	Very high	97.2	Very high	57 Å²	57	19.9 Å²	19.9	31%	0.305	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	10.8	179.4	-65.6	-65.9	0	0	0	114.3	H441 A445 G448 D496 C497 T498 V502	H441-N500 PolarHBondContact NE2-ND2 3.24Å; H441-N500 VanDerWaalsContact NE2-ND2 3.16Å; A445-N500 HydrophobicContact CB-CB 4.1Å; A445-N500 PolarHBondContact O-OD1 2.86Å; G448-N500 VanDerWaalsContact CA-O 3.25Å; G448-N500 WeakPolarHBondContact CA-O 3.22Å; D496-N500 WeakPolarHBondContact O-CB 3.39Å; D496-N500 PolarHBondContact O-N 3.21Å; D496-N500 VanDerWaalsContact O-N 3.09Å; D496-N500 PolarHBondContact O-ND2 3.09Å; C497-N500 CarbonylContact O-C 3.53Å; C497-N500 PolarHBondContact O-N 3.1Å; C497-N500 VanDerWaalsContact O-N 3.15Å; T498-N500 VanDerWaalsContact C-N 3.3Å; T498-N500 PolarHBondContact O-N 3.41Å; N500-V502 VanDerWaalsContact C-N 3.26Å; N500-V502 HydrophobicContact CB-CG2 4.38Å; N500-V502 PolarHBondContact O-N 3.04Å
501	Q	96.5	Very high	96.8	Very high	24 Å²	24	22.2 Å²	22.2	11%	0.112	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	34.8	179.2	-43.4	-52.3	-57.8	0	0	114	G448 G449 C497 T498 A499 E563	G448-Q501 WeakPolarHBondContact CA-O 3.4Å; G449-Q501 PolarHBondContact N-O 3.44Å; C497-Q501 PolarHBondContact O-N 3.06Å; T498-Q501 PolarHBondContact O-N 3.42Å; T498-Q501 PolarHBondContact O-NE2 3.5Å; A499-Q501 VanDerWaalsContact C-N 3.31Å; A499-Q501 PolarHBondContact O-N 3.03Å; A499-Q501 PolarHBondContact O-NE2 3.18Å; Q501-E563 HydrophobicContact CB-CG 3.96Å; Q501-E563 HydrophobicContact CG-CB 4.39Å; Q501-E563 HydrophobicContact CG-CG 3.9Å
502	V	98.2	Very high	96.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	125.2	173.8	177.8	0	0	0	0	110.3	I444 V451 C497 N500 T526 A594	I444-V502 HydrophobicContact CD1-CG1 4.01Å; I444-V502 HydrophobicContact CD1-CG2 3.97Å; I444-V502 HydrophobicContact CG1-CG1 4.36Å; I444-V502 HydrophobicContact CG1-CG2 3.66Å; V451-V502 HydrophobicContact CG2-CG1 3.85Å; C497-V502 CarbonylContact C-O 3.49Å; C497-V502 HydrophobicContact CB-CB 4.01Å; C497-V502 HydrophobicContact CB-CG1 4.33Å; C497-V502 WeakPolarHBondContact CB-O 3.3Å; C497-V502 PolarHBondContact O-N 3.11Å; N500-V502 VanDerWaalsContact C-N 3.26Å; N500-V502 HydrophobicContact CB-CG2 4.38Å; N500-V502 PolarHBondContact O-N 3.04Å; V502-T526 WeakPolarHBondContact O-CG2 3.16Å; V502-A594 WeakPolarHBondContact O-CB 3.3Å
503	A	98.1	Very high	96.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	142.6	171.4	0	0	0	0	0	111.3	G449 R450 V451 A594 N595	G449-A503 PolarHBondContact O-N 2.88Å; R450-A503 WeakPolarHBondContact CA-O 3.24Å; V451-A503 PolarHBondContact N-O 2.99Å; A503-A594 HydrophobicContact CB-CB 3.85Å; A503-N595 HydrophobicContact CB-CB 3.63Å; A503-N595 WeakPolarHBondContact CB-ND2 3.48Å
504	V	98.5	Very high	96.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	108.3	176.7	-172.7	0	0	0	0	109.8	I437 V451 A453 I522 S523 T526	I437-V504 HydrophobicContact CD1-CG1 4.43Å; I437-V504 HydrophobicContact CG2-CG1 4.41Å; I437-V504 HydrophobicContact CG2-CG2 4.18Å; V451-V504 HydrophobicContact CB-CG1 4.34Å; V451-V504 HydrophobicContact CB-CG2 4.18Å; V451-V504 HydrophobicContact CG1-CG1 4.4Å; V451-V504 HydrophobicContact CG2-CG2 4.45Å; V451-V504 WeakPolarHBondContact O-CA 3.38Å; A453-V504 HydrophobicContact CB-CG1 4.38Å; V504-I522 HydrophobicContact CB-CG1 3.79Å; V504-I522 HydrophobicContact CB-CG2 4.29Å; V504-I522 HydrophobicContact CG1-CG1 3.94Å; V504-I522 HydrophobicContact CG1-CG2 3.94Å; V504-I522 HydrophobicContact CG2-CD1 4.29Å; V504-I522 HydrophobicContact CG2-CG1 3.7Å; V504-S523 WeakPolarHBondContact O-CA 3.3Å; V504-S523 WeakPolarHBondContact O-CB 3.35Å; V504-S523 PolarHBondContact O-OG 3.37Å; V504-T526 PolarHBondContact N-OG1 2.91Å
505	D	98.4	Very high	96.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	128.6	172.8	-70	-4.4	0	0	0	108.7	R450 V451 A453 F507 G528 Y529 Y555 R558 N595	R450-D505 IonicContact CZ-OD2 2.68Å; R450-D505 VanDerWaalsContact CZ-OD2 3.3Å; R450-D505 IonicContact NE-OD2 3.41Å; R450-D505 PolarHBondContact NE-OD2 3.23Å; R450-D505 IonicContact NH2-OD2 2.81Å; R450-D505 PolarHBondContact NH2-OD2 3.04Å; V451-D505 PolarHBondContact O-N 3.21Å; A453-D505 PolarHBondContact N-O 3.45Å; D505-F507 HydrophobicContact CB-CE2 4.28Å; D505-G528 WeakPolarHBondContact OD1-CA 3.34Å; D505-Y529 CarbonylContact C-O 3.41Å; D505-Y529 VanDerWaalsContact CA-O 3.31Å; D505-Y529 WeakPolarHBondContact CA-O 3.45Å; D505-Y529 PolarHBondContact OD1-N 2.95Å; D505-Y555 HydrophobicContact CB-CE2 4.09Å; D505-Y555 WeakPolarHBondContact CB-OH 3.31Å; D505-Y555 VanDerWaalsContact OD2-CE2 3.24Å; D505-Y555 WeakPolarHBondContact OD2-CE2 3.48Å; D505-Y555 PolarHBondContact OD2-OH 2.71Å; D505-R558 IonicContact OD2-NH2 3.98Å; D505-R558 PolarHBondContact OD2-NH2 3.08Å; D505-N595 PolarHBondContact OD1-ND2 3.21Å
506	L	98.1	Very high	96.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	128.8	-174.3	178.8	65.1	0	0	0	112.5	F433 A453 L455 I508 V519 S523 Y529 I530 A531	F433-L506 HydrophobicContact CE2-CD1 4.46Å; F433-L506 HydrophobicContact CZ-CD1 3.79Å; A453-L506 CarbonylContact O-C 3.6Å; A453-L506 WeakPolarHBondContact O-CA 3.43Å; L455-L506 HydrophobicContact CB-CD1 4Å; L455-L506 HydrophobicContact CD2-CD1 4.13Å; L506-I508 HydrophobicContact CD2-CD1 4.31Å; L506-I508 HydrophobicContact CD2-CG1 4.28Å; L506-I508 HydrophobicContact CG-CG1 4.18Å; L506-V519 HydrophobicContact CD2-CG2 4.02Å; L506-S523 WeakPolarHBondContact CB-OG 3.49Å; L506-Y529 PolarHBondContact N-O 3.23Å; L506-I530 CarbonylContact O-C 3.32Å; L506-I530 WeakPolarHBondContact O-CA 3.36Å; L506-A531 PolarHBondContact O-N 2.95Å
507	F	98.4	Very high	96.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	103.9	-179.9	-77.9	-93.1	0	0	0	111.4	T452 A453 F454 L455 D505 Y529 A531 Y533 F548 M552 Y555	T452-F507 HydrophobicContact CG2-CD2 3.99Å; T452-F507 HydrophobicContact CG2-CE2 4.09Å; A453-F507 PolarHBondContact O-N 2.96Å; F454-F507 WeakPolarHBondContact CA-O 3.41Å; F454-F507 HydrophobicContact CD1-CB 3.38Å; F454-F507 AromaticContact CD1-CG 3.98Å; F454-F507 HydrophobicContact CD1-CG 3.98Å; F454-F507 HydrophobicContact CE1-CB 3.68Å; F454-F507 HydrophobicContact CE1-CD1 4.23Å; F454-F507 HydrophobicContact CE1-CD2 4.19Å; F454-F507 AromaticContact CE1-CG 3.74Å; F454-F507 HydrophobicContact CE1-CG 3.74Å; F454-F507 HydrophobicContact CG-CB 4.25Å; L455-F507 PolarHBondContact N-O 3.38Å; D505-F507 HydrophobicContact CB-CE2 4.28Å; F507-Y529 HydrophobicContact CE1-CD1 4.48Å; F507-Y529 HydrophobicContact CE1-CE1 4.13Å; F507-Y529 HydrophobicContact CE2-CD1 4.12Å; F507-Y529 AromaticContact CZ-CD1 3.67Å; F507-Y529 HydrophobicContact CZ-CD1 3.67Å; F507-Y529 AromaticContact CZ-CE1 3.71Å; F507-Y529 HydrophobicContact CZ-CE1 3.71Å; F507-A531 HydrophobicContact CD1-CB 3.89Å; F507-A531 HydrophobicContact CE1-CB 3.71Å; F507-A531 HydrophobicContact CZ-CB 4.35Å; F507-Y533 AromaticContact CD1-CE2 3.87Å; F507-Y533 HydrophobicContact CD1-CE2 3.87Å; F507-Y533 HydrophobicContact CE1-CE2 4.21Å; F507-F548 HydrophobicContact CD1-CE2 4.35Å; F507-M552 HydrophobicContact CD1-CE 3.85Å; F507-M552 HydrophobicContact CE1-CE 3.19Å; F507-M552 HydrophobicContact CZ-CE 3.73Å; F507-Y555 HydrophobicContact CE2-CD2 4Å; F507-Y555 HydrophobicContact CE2-CE1 4.06Å; F507-Y555 AromaticContact CE2-CE2 3.31Å; F507-Y555 HydrophobicContact CE2-CE2 3.31Å; F507-Y555 AromaticContact CE2-CZ 3.37Å; F507-Y555 HydrophobicContact CZ-CD1 4.28Å; F507-Y555 AromaticContact CZ-CD2 3.46Å; F507-Y555 HydrophobicContact CZ-CD2 3.46Å; F507-Y555 VanDerWaalsContact CZ-CD2 3.46Å; F507-Y555 HydrophobicContact CZ-CE1 4.19Å; F507-Y555 AromaticContact CZ-CE2 3.28Å; F507-Y555 HydrophobicContact CZ-CE2 3.28Å; F507-Y555 AromaticContact CZ-CG 3.94Å; F507-Y555 HydrophobicContact CZ-CG 3.94Å; F507-Y555 AromaticContact CZ-CZ 3.7Å
508	I	98.1	Very high	96.5	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.01	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	120.2	178.1	-53.4	151.1	0	0	0	108.4	L455 L506 V514 V516 I530 A531 H532 Y533	L455-I508 CarbonylContact O-C 3.39Å; L455-I508 VanDerWaalsContact O-CA 3.29Å; L455-I508 WeakPolarHBondContact O-CA 3.15Å; L506-I508 HydrophobicContact CD2-CD1 4.31Å; L506-I508 HydrophobicContact CD2-CG1 4.28Å; L506-I508 HydrophobicContact CG-CG1 4.18Å; I508-V514 HydrophobicContact CG1-CG2 4.47Å; I508-V514 HydrophobicContact CG2-CG2 3.92Å; I508-V516 HydrophobicContact CD1-CG1 4.15Å; I508-V516 HydrophobicContact CD1-CG2 3.5Å; I508-V516 VanDerWaalsContact CD1-CG2 3.5Å; I508-I530 HydrophobicContact CD1-CG2 4.4Å; I508-A531 PolarHBondContact N-O 2.92Å; I508-H532 HydrophobicContact CB-CB 4.31Å; I508-H532 HydrophobicContact CD1-CB 4.5Å; I508-H532 VanDerWaalsContact CG2-CD2 3.41Å; I508-H532 WeakPolarHBondContact CG2-CD2 3.3Å; I508-H532 WeakPolarHBondContact O-CA 3.21Å; I508-H532 PolarHBondContact O-CD2 3.09Å; I508-Y533 PolarHBondContact O-N 3.08Å
509	L	96.6	Very high	96.5	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	8%	0.076	C	C	.	.			trans	-122.4	23.8	-168.8	-72	163.2	0	0	0	113.2	Y339 F454 L455 Y533 F536 F548	Y339-L509 HydrophobicContact CD1-CD1 4.23Å; Y339-L509 HydrophobicContact CD2-CD1 3.3Å; Y339-L509 HydrophobicContact CE2-CD1 3.88Å; Y339-L509 HydrophobicContact CG-CD1 3.49Å; Y339-L509 VanDerWaalsContact CG-CD1 3.49Å; F454-L509 HydrophobicContact CB-CD1 4.42Å; F454-L509 HydrophobicContact CD1-CD1 3.59Å; F454-L509 HydrophobicContact CE1-CD1 4.38Å; F454-L509 HydrophobicContact CG-CD1 4.44Å; L455-L509 PolarHBondContact O-N 2.83Å; L509-Y533 HydrophobicContact CD2-CD2 3.67Å; L509-Y533 HydrophobicContact CD2-CE2 4.45Å; L509-Y533 HydrophobicContact CD2-CG 4.07Å; L509-F536 HydrophobicContact CD2-CB 4.29Å; L509-F536 HydrophobicContact CD2-CD1 4.11Å; L509-F536 HydrophobicContact CD2-CD2 4.23Å; L509-F536 HydrophobicContact CD2-CG 3.93Å; L509-F548 HydrophobicContact CD1-CE2 4.28Å; L509-F548 HydrophobicContact CD1-CZ 4.44Å; L509-F548 HydrophobicContact CD2-CD2 3.76Å; L509-F548 HydrophobicContact CD2-CE2 3.72Å; L509-F548 HydrophobicContact CD2-CG 4.43Å; L509-F548 HydrophobicContact CD2-CZ 4.35Å
510	S	90.6	Very high	96.6	Very high	6 Å²	6	13.7 Å²	13.7	4%	0.042	6%	0.062	C	C	.	.			trans	-141.1	170	177.1	88.5	0	0	0	0	112.9	A456 R512 H532	A456-S510 VanDerWaalsContact O-CB 3.29Å; A456-S510 WeakPolarHBondContact O-CB 3.46Å; A456-S510 PolarHBondContact O-OG 3.43Å; S510-R512 PolarHBondContact OG-N 2.63Å; S510-R512 VanDerWaalsContact OG-N 3.14Å; S510-H532 PolarHBondContact O-NE2 3.35Å
511	D	89.6	Confident	96.6	Very high	49 Å²	49	11.6 Å²	11.6	26%	0.262	5%	0.051	S	C	.	.	S	Bend	trans	-100.2	4.7	170.8	-120.6	58.2	0	0	0	112.1	P534 S535 K736 H739	D511-P534 WeakPolarHBondContact OD1-CA 3.44Å; D511-P534 WeakPolarHBondContact OD1-CB 3.49Å; D511-S535 WeakPolarHBondContact CB-OG 3.2Å; D511-S535 PolarHBondContact OD1-N 3.33Å; D511-S535 PolarHBondContact OD1-OG 3.09Å; D511-S535 VanDerWaalsContact OD1-OG 3.05Å; D511-S535 PolarHBondContact OD2-OG 3.42Å; D511-K736 VanDerWaalsContact CG-NZ 3.31Å; D511-K736 PolarHBondContact O-NZ 3.42Å; D511-K736 IonicContact OD2-NZ 2.7Å; D511-K736 PolarHBondContact OD2-NZ 2.91Å; D511-H739 IonicContact OD1-CE1 2.91Å; D511-H739 IonicContact OD1-NE2 3.16Å
512	R	93.9	Very high	96.7	Very high	128 Å²	128	10.4 Å²	10.4	48%	0.483	5%	0.046	S	C	.	.	S	Bend	trans	-77.9	156.3	175.4	-58.1	-179.7	-174.6	-102.3	9	108.7	E336 S510 V514	E336-R512 IonicContact OE2-CZ 2.69Å; E336-R512 IonicContact OE2-NH2 3.28Å; E336-R512 PolarHBondContact OE2-NH2 2.7Å; S510-R512 PolarHBondContact OG-N 2.63Å; S510-R512 VanDerWaalsContact OG-N 3.14Å; R512-V514 PolarHBondContact O-N 2.85Å
513	F	95.9	Very high	96.7	Very high	21 Å²	21	10.4 Å²	10.4	9%	0.092	5%	0.046	C	C	.	.			trans	-74.7	122.6	177.5	-179.6	-106.9	0	0	0	109.9	L458 N468 R469 E470 D515 L737 D738	L458-F513 HydrophobicContact CD1-CD1 4.26Å; L458-F513 HydrophobicContact CD1-CE1 4.36Å; N468-F513 HydrophobicContact CB-CD1 4.31Å; N468-F513 VanDerWaalsContact OD1-CD1 3.24Å; N468-F513 WeakPolarHBondContact OD1-CD1 3.15Å; R469-F513 HydrophobicContact CG-CE1 4.09Å; R469-F513 HydrophobicContact CG-CZ 3.91Å; E470-F513 HydrophobicContact CB-CD1 4.5Å; E470-F513 HydrophobicContact CB-CD2 3.81Å; E470-F513 HydrophobicContact CB-CE2 3.91Å; E470-F513 HydrophobicContact CB-CG 4.12Å; E470-F513 HydrophobicContact CB-CZ 4.28Å; F513-D515 HydrophobicContact CE1-CB 3.67Å; F513-D515 HydrophobicContact CE2-CB 4.28Å; F513-D515 HydrophobicContact CZ-CB 3.5Å; F513-D515 VanDerWaalsContact CZ-CB 3.5Å; F513-L737 HydrophobicContact CE2-CB 4.28Å; F513-L737 HydrophobicContact CE2-CD2 3.95Å; F513-L737 HydrophobicContact CE2-CG 4.37Å; F513-L737 HydrophobicContact CZ-CD2 4.3Å; F513-D738 VanDerWaalsContact CA-OD2 3.31Å; F513-D738 WeakPolarHBondContact CA-OD2 3.36Å; F513-D738 WeakPolarHBondContact CD2-OD2 3.4Å; F513-D738 WeakPolarHBondContact CE2-OD1 3.42Å
514	V	96.7	Very high	96.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.049	C	C	.	.			trans	-119.8	1.9	179.6	-54	0	0	0	0	112.9	L455 N457 I508 R512 V516 D738	L455-V514 HydrophobicContact CD2-CB 3.99Å; L455-V514 HydrophobicContact CD2-CG2 4.07Å; L455-V514 HydrophobicContact CG-CB 4.28Å; L455-V514 HydrophobicContact CG-CG1 4.33Å; N457-V514 WeakPolarHBondContact O-CG1 3.46Å; I508-V514 HydrophobicContact CG1-CG2 4.47Å; I508-V514 HydrophobicContact CG2-CG2 3.92Å; R512-V514 PolarHBondContact O-N 2.85Å; V514-V516 HydrophobicContact CG2-CG2 3.65Å; V514-D738 PolarHBondContact N-OD2 2.87Å
515	D	97.2	Very high	96.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.058	C	C	.	.			trans	56.9	60.6	-177.8	-165.3	24.3	0	0	0	114.6	L458 L466 R469 F513 A517 T518 V519 D738	L458-D515 HydrophobicContact CD1-CB 4.07Å; L466-D515 HydrophobicContact CD1-CB 3.95Å; R469-D515 IonicContact CZ-OD1 3.07Å; R469-D515 VanDerWaalsContact CZ-OD1 3.27Å; R469-D515 IonicContact CZ-OD2 3.01Å; R469-D515 IonicContact NE-OD1 1.86Å; R469-D515 PolarHBondContact NE-OD1 2.93Å; R469-D515 IonicContact NE-OD2 2.64Å; R469-D515 PolarHBondContact NE-OD2 2.96Å; R469-D515 VanDerWaalsContact NH2-CG 3.34Å; R469-D515 IonicContact NH2-OD1 3.78Å; R469-D515 PolarHBondContact NH2-OD1 2.83Å; R469-D515 IonicContact NH2-OD2 3.83Å; R469-D515 PolarHBondContact NH2-OD2 3.06Å; R469-D515 VanDerWaalsContact NH2-OD2 3.16Å; F513-D515 HydrophobicContact CE1-CB 3.67Å; F513-D515 HydrophobicContact CE2-CB 4.28Å; F513-D515 HydrophobicContact CZ-CB 3.5Å; F513-D515 VanDerWaalsContact CZ-CB 3.5Å; D515-A517 PolarHBondContact O-N 3.13Å; D515-A517 VanDerWaalsContact O-N 3.09Å; D515-T518 PolarHBondContact O-N 3.35Å; D515-T518 VanDerWaalsContact OD2-CB 3.27Å; D515-T518 WeakPolarHBondContact OD2-CB 3.34Å; D515-T518 PolarHBondContact OD2-OG1 3.38Å; D515-V519 PolarHBondContact O-N 2.84Å; D515-D738 WeakPolarHBondContact CA-OD1 3.25Å; D515-D738 PolarHBondContact N-OD1 3.36Å; D515-D738 PolarHBondContact N-OD2 3.13Å
516	V	97.6	Very high	96.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-56.8	-26.8	178.8	-178.5	0	0	0	0	112.1	I508 V514 T518 A520 D738 I741	I508-V516 HydrophobicContact CD1-CG1 4.15Å; I508-V516 HydrophobicContact CD1-CG2 3.5Å; I508-V516 VanDerWaalsContact CD1-CG2 3.5Å; V514-V516 HydrophobicContact CG2-CG2 3.65Å; V516-T518 PolarHBondContact O-N 2.8Å; V516-A520 HydrophobicContact CG1-CB 4Å; V516-A520 WeakPolarHBondContact O-CB 3.15Å; V516-A520 PolarHBondContact O-N 3.14Å; V516-D738 HydrophobicContact CB-CB 4.18Å; V516-D738 HydrophobicContact CG2-CB 3.59Å; V516-D738 PolarHBondContact N-OD1 3.48Å; V516-I741 HydrophobicContact CB-CB 4.46Å; V516-I741 HydrophobicContact CB-CG2 4.39Å; V516-I741 HydrophobicContact CG1-CB 4.35Å; V516-I741 HydrophobicContact CG1-CG2 3.99Å
517	A	96.9	Very high	96.2	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-59.5	-32.4	172.2	0	0	0	0	0	113.3	R469 H482 A485 D515 I741	R469-A517 VanDerWaalsContact NH2-CB 3.29Å; H482-A517 WeakPolarHBondContact O-CB 3.48Å; A485-A517 WeakPolarHBondContact CA-O 3.23Å; A485-A517 PolarHBondContact N-O 3.09Å; D515-A517 PolarHBondContact O-N 3.13Å; D515-A517 VanDerWaalsContact O-N 3.09Å; A517-I741 HydrophobicContact CB-CD1 4.47Å; A517-I741 HydrophobicContact CB-CG1 4.14Å; A517-I741 HydrophobicContact CB-CG2 4.36Å
518	T	97.7	Very high	96	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-96.6	-54.6	178	-53.7	0	0	0	0	112	L466 R469 A485 V486 Y490 D515 V516 A520 D521	L466-T518 HydrophobicContact CD1-CG2 4.15Å; L466-T518 HydrophobicContact CD2-CG2 3.69Å; R469-T518 PolarHBondContact NH2-OG1 2.9Å; A485-T518 WeakPolarHBondContact CA-OG1 3.41Å; A485-T518 HydrophobicContact CB-CG2 4.27Å; V486-T518 HydrophobicContact CG1-CG2 4.17Å; V486-T518 PolarHBondContact N-OG1 2.74Å; Y490-T518 HydrophobicContact CD2-CG2 3.71Å; Y490-T518 HydrophobicContact CE2-CG2 4.06Å; D515-T518 PolarHBondContact O-N 3.35Å; D515-T518 VanDerWaalsContact OD2-CB 3.27Å; D515-T518 WeakPolarHBondContact OD2-CB 3.34Å; D515-T518 PolarHBondContact OD2-OG1 3.38Å; V516-T518 PolarHBondContact O-N 2.8Å; T518-A520 VanDerWaalsContact C-N 3.31Å; T518-A520 PolarHBondContact O-N 2.96Å; T518-D521 PolarHBondContact O-N 2.65Å
519	V	97.9	Very high	95.9	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-66.4	-30.6	-171.6	-60.6	0	0	0	0	113.3	L455 P459 L466 Y490 L506 D515 D521 I522	L455-V519 HydrophobicContact CD2-CB 4.48Å; L455-V519 HydrophobicContact CD2-CG2 3.93Å; P459-V519 HydrophobicContact CG-CG1 4.01Å; L466-V519 HydrophobicContact CD1-CG1 3.66Å; Y490-V519 HydrophobicContact CE1-CG1 4.36Å; Y490-V519 HydrophobicContact CE2-CG1 4.32Å; L506-V519 HydrophobicContact CD2-CG2 4.02Å; D515-V519 PolarHBondContact O-N 2.84Å; V519-D521 PolarHBondContact O-N 2.84Å; V519-D521 VanDerWaalsContact O-N 3.15Å; V519-I522 VanDerWaalsContact O-CG2 3.24Å; V519-I522 WeakPolarHBondContact O-CG2 3.41Å; V519-I522 PolarHBondContact O-N 2.89Å
520	A	97.3	Very high	95.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-13.5	-176.6	0	0	0	0	0	114	V516 T518 I522 S523 K524 I530	V516-A520 HydrophobicContact CG1-CB 4Å; V516-A520 WeakPolarHBondContact O-CB 3.15Å; V516-A520 PolarHBondContact O-N 3.14Å; T518-A520 VanDerWaalsContact C-N 3.31Å; T518-A520 PolarHBondContact O-N 2.96Å; A520-I522 PolarHBondContact O-N 3.06Å; A520-S523 PolarHBondContact O-N 3.06Å; A520-S523 VanDerWaalsContact O-N 3.13Å; A520-K524 VanDerWaalsContact O-CG 3.31Å; A520-K524 WeakPolarHBondContact O-CG 3.45Å; A520-K524 PolarHBondContact O-N 3.23Å; A520-I530 HydrophobicContact CB-CD1 3.93Å
521	D	97.2	Very high	96.2	Very high	12 Å²	12	15.7 Å²	15.7	6%	0.064	7%	0.068	C	C	.	.	H	α-helix	trans	-58.6	-30.5	177.2	-84.3	18.7	0	0	0	112.3	K491 T518 V519 S523 K524 Y525	K491-D521 HydrophobicContact CB-CB 4.22Å; T518-D521 PolarHBondContact O-N 2.65Å; V519-D521 PolarHBondContact O-N 2.84Å; V519-D521 VanDerWaalsContact O-N 3.15Å; D521-S523 VanDerWaalsContact C-N 3.31Å; D521-S523 PolarHBondContact O-N 3.43Å; D521-K524 PolarHBondContact O-N 2.89Å; D521-K524 WeakPolarHBondContact OD1-CD 3.46Å; D521-K524 WeakPolarHBondContact OD1-CE 3.31Å; D521-K524 IonicContact OD1-NZ 2.8Å; D521-K524 PolarHBondContact OD1-NZ 3.02Å; D521-Y525 HydrophobicContact CB-CD2 4.15Å; D521-Y525 HydrophobicContact CB-CE2 4.08Å; D521-Y525 VanDerWaalsContact O-CD2 3.28Å; D521-Y525 WeakPolarHBondContact O-CD2 3.41Å; D521-Y525 PolarHBondContact O-N 2.86Å; D521-Y525 VanDerWaalsContact O-N 3.13Å
522	I	97.8	Very high	96.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-59	-41.2	176.1	-162.4	64.8	0	0	0	112.5	I437 Y490 L493 A494 V504 V519 A520 T526	I437-I522 HydrophobicContact CG2-CD1 4.16Å; I437-I522 HydrophobicContact CG2-CG1 4.04Å; Y490-I522 HydrophobicContact CD1-CB 4.48Å; L493-I522 HydrophobicContact CB-CD1 4.03Å; L493-I522 HydrophobicContact CD2-CD1 3.98Å; L493-I522 HydrophobicContact CG-CD1 3.75Å; A494-I522 HydrophobicContact CB-CD1 4.05Å; V504-I522 HydrophobicContact CB-CG1 3.79Å; V504-I522 HydrophobicContact CB-CG2 4.29Å; V504-I522 HydrophobicContact CG1-CG1 3.94Å; V504-I522 HydrophobicContact CG1-CG2 3.94Å; V504-I522 HydrophobicContact CG2-CD1 4.29Å; V504-I522 HydrophobicContact CG2-CG1 3.7Å; V519-I522 VanDerWaalsContact O-CG2 3.24Å; V519-I522 WeakPolarHBondContact O-CG2 3.41Å; V519-I522 PolarHBondContact O-N 2.89Å; A520-I522 PolarHBondContact O-N 3.06Å; I522-T526 WeakPolarHBondContact O-CB 3.37Å; I522-T526 VanDerWaalsContact O-CG2 3.23Å; I522-T526 WeakPolarHBondContact O-CG2 3.44Å; I522-T526 PolarHBondContact O-OG1 3.03Å
523	S	97.6	Very high	96.6	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-82.7	-38.5	177.8	-55.1	0	0	0	0	111.7	V504 L506 A520 D521 Y525 G527 G528	V504-S523 WeakPolarHBondContact O-CA 3.3Å; V504-S523 WeakPolarHBondContact O-CB 3.35Å; V504-S523 PolarHBondContact O-OG 3.37Å; L506-S523 WeakPolarHBondContact CB-OG 3.49Å; A520-S523 PolarHBondContact O-N 3.06Å; A520-S523 VanDerWaalsContact O-N 3.13Å; D521-S523 VanDerWaalsContact C-N 3.31Å; D521-S523 PolarHBondContact O-N 3.43Å; S523-Y525 VanDerWaalsContact C-N 3.32Å; S523-Y525 PolarHBondContact O-N 3.45Å; S523-G527 PolarHBondContact O-N 3.15Å; S523-G528 PolarHBondContact O-N 3.43Å; S523-G528 VanDerWaalsContact O-N 3.09Å
524	K	96	Very high	96.4	Very high	15 Å²	15	8 Å²	8	7%	0.065	4%	0.039	C	C	.	.	H	α-helix	trans	-56.7	-43.2	179.8	-71.6	172.3	-151.2	157.7	0	112.1	A520 D521 I530 N582 H583	A520-K524 VanDerWaalsContact O-CG 3.31Å; A520-K524 WeakPolarHBondContact O-CG 3.45Å; A520-K524 PolarHBondContact O-N 3.23Å; D521-K524 PolarHBondContact O-N 2.89Å; D521-K524 WeakPolarHBondContact OD1-CD 3.46Å; D521-K524 WeakPolarHBondContact OD1-CE 3.31Å; D521-K524 IonicContact OD1-NZ 2.8Å; D521-K524 PolarHBondContact OD1-NZ 3.02Å; K524-I530 HydrophobicContact CG-CD1 4.33Å; K524-N582 CarbonylContact O-C 3.55Å; K524-N582 WeakPolarHBondContact O-CA 3.22Å; K524-N582 WeakPolarHBondContact O-CB 3.31Å; K524-H583 PolarHBondContact O-N 3.01Å
525	Y	95.7	Very high	96.2	Very high	47 Å²	47	10.9 Å²	10.9	18%	0.184	6%	0.059	C	C	.	.	H	α-helix	trans	-93	-21.2	-173.9	-64.5	-64.1	0	0	0	114.2	K491 T498 D521 S523 H583 F584	K491-Y525 HydrophobicContact CB-CD2 4.24Å; K491-Y525 HydrophobicContact CB-CE2 4.12Å; K491-Y525 HydrophobicContact CD-CD2 4.48Å; K491-Y525 HydrophobicContact CD-CE2 3.74Å; K491-Y525 HydrophobicContact CG-CD2 3.83Å; K491-Y525 HydrophobicContact CG-CE2 3.58Å; T498-Y525 PolarHBondContact OG1-O 2.93Å; D521-Y525 HydrophobicContact CB-CD2 4.15Å; D521-Y525 HydrophobicContact CB-CE2 4.08Å; D521-Y525 VanDerWaalsContact O-CD2 3.28Å; D521-Y525 WeakPolarHBondContact O-CD2 3.41Å; D521-Y525 PolarHBondContact O-N 2.86Å; D521-Y525 VanDerWaalsContact O-N 3.13Å; S523-Y525 VanDerWaalsContact C-N 3.32Å; S523-Y525 PolarHBondContact O-N 3.45Å; Y525-H583 CarbonylContact O-C 3.5Å; Y525-H583 VanDerWaalsContact O-C 3.31Å; Y525-F584 PolarHBondContact O-N 3.34Å
526	T	96.7	Very high	96.1	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-83.2	-14.1	175.7	57.7	0	0	0	0	114.7	A494 C497 T498 V502 V504 I522 A594	A494-T526 HydrophobicContact CB-CG2 4.09Å; C497-T526 HydrophobicContact CB-CG2 3.49Å; C497-T526 VanDerWaalsContact CB-CG2 3.49Å; T498-T526 WeakPolarHBondContact OG1-CA 3.22Å; V502-T526 WeakPolarHBondContact O-CG2 3.16Å; V504-T526 PolarHBondContact N-OG1 2.91Å; I522-T526 WeakPolarHBondContact O-CB 3.37Å; I522-T526 VanDerWaalsContact O-CG2 3.23Å; I522-T526 WeakPolarHBondContact O-CG2 3.44Å; I522-T526 PolarHBondContact O-OG1 3.03Å; T526-A594 WeakPolarHBondContact O-CB 3.4Å; T526-A594 PolarHBondContact O-N 3.06Å
527	G	94.6	Very high	96	Very high	3 Å²	3	12.6 Å²	12.6	3%	0.031	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.8	-1.9	-171.8	0	0	0	0	0	114.2	S523 N595	S523-G527 PolarHBondContact O-N 3.15Å; G527-N595 PolarHBondContact O-OD1 3.47Å
528	G	95.3	Very high	95.9	Very high	2 Å²	2	15.4 Å²	15.4	2%	0.021	8%	0.082	C	C	.	.			trans	-64.2	167.9	-177.8	0	0	0	0	0	115.1	D505 S523 N582	D505-G528 WeakPolarHBondContact OD1-CA 3.34Å; S523-G528 PolarHBondContact O-N 3.43Å; S523-G528 VanDerWaalsContact O-N 3.09Å; G528-N582 PolarHBondContact O-ND2 2.98Å
529	Y	95	Very high	95.7	Very high	44 Å²	44	20.3 Å²	20.3	17%	0.173	12%	0.116	C	C	.	.			trans	-88.5	151.4	-179.9	-177.2	-116.9	0	0	0	111.7	D505 L506 F507 A531 Y555	D505-Y529 CarbonylContact C-O 3.41Å; D505-Y529 VanDerWaalsContact CA-O 3.31Å; D505-Y529 WeakPolarHBondContact CA-O 3.45Å; D505-Y529 PolarHBondContact OD1-N 2.95Å; L506-Y529 PolarHBondContact N-O 3.23Å; F507-Y529 HydrophobicContact CE1-CD1 4.48Å; F507-Y529 HydrophobicContact CE1-CE1 4.13Å; F507-Y529 HydrophobicContact CE2-CD1 4.12Å; F507-Y529 AromaticContact CZ-CD1 3.67Å; F507-Y529 HydrophobicContact CZ-CD1 3.67Å; F507-Y529 AromaticContact CZ-CE1 3.71Å; F507-Y529 HydrophobicContact CZ-CE1 3.71Å; Y529-A531 HydrophobicContact CD1-CB 4.4Å; Y529-A531 HydrophobicContact CE1-CB 3.65Å; Y529-Y555 HydrophobicContact CD1-CD2 4.02Å; Y529-Y555 AromaticContact CD1-CE2 3.91Å; Y529-Y555 HydrophobicContact CD1-CE2 3.91Å; Y529-Y555 HydrophobicContact CE1-CD2 4.3Å
530	I	96.7	Very high	95.3	Very high	7 Å²	7	26.7 Å²	26.7	4%	0.036	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	126.6	173.2	-56.6	160.6	0	0	0	107.2	L506 I508 A520 K524 F742 C745	L506-I530 CarbonylContact O-C 3.32Å; L506-I530 WeakPolarHBondContact O-CA 3.36Å; I508-I530 HydrophobicContact CD1-CG2 4.4Å; A520-I530 HydrophobicContact CB-CD1 3.93Å; K524-I530 HydrophobicContact CG-CD1 4.33Å; I530-F742 HydrophobicContact CG2-CD2 4.07Å; I530-F742 HydrophobicContact CG2-CE2 4.35Å; I530-C745 HydrophobicContact CD1-CB 4.02Å
531	A	96.3	Very high	95	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.008	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	146.6	172.6	0	0	0	0	0	111	L506 F507 I508 Y529 Y533	L506-A531 PolarHBondContact O-N 2.95Å; F507-A531 HydrophobicContact CD1-CB 3.89Å; F507-A531 HydrophobicContact CE1-CB 3.71Å; F507-A531 HydrophobicContact CZ-CB 4.35Å; I508-A531 PolarHBondContact N-O 2.92Å; Y529-A531 HydrophobicContact CD1-CB 4.4Å; Y529-A531 HydrophobicContact CE1-CB 3.65Å; A531-Y533 HydrophobicContact CB-CE2 3.64Å
532	H	96.5	Very high	94.7	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.019	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	134.6	172.4	-173.3	-157.8	0	0	0	109.5	I508 S510 R547 H739 F742	I508-H532 HydrophobicContact CB-CB 4.31Å; I508-H532 HydrophobicContact CD1-CB 4.5Å; I508-H532 VanDerWaalsContact CG2-CD2 3.41Å; I508-H532 WeakPolarHBondContact CG2-CD2 3.3Å; I508-H532 WeakPolarHBondContact O-CA 3.21Å; I508-H532 PolarHBondContact O-CD2 3.09Å; S510-H532 PolarHBondContact O-NE2 3.35Å; H532-R547 PolarHBondContact O-NH1 2.8Å; H532-R547 PolarHBondContact O-NH2 2.83Å; H532-H739 AromaticContact CE1-CD2 3.51Å; H532-H739 AromaticContact CE1-NE2 3.58Å; H532-F742 HydrophobicContact CB-CB 4.37Å; H532-F742 HydrophobicContact CB-CD1 3.6Å; H532-F742 HydrophobicContact CB-CD2 3.62Å; H532-F742 HydrophobicContact CB-CE1 3.63Å; H532-F742 HydrophobicContact CB-CE2 3.68Å; H532-F742 HydrophobicContact CB-CG 3.58Å; H532-F742 HydrophobicContact CB-CZ 3.66Å; H532-F742 VanDerWaalsContact N-CE2 3.27Å; H532-F742 VanDerWaalsContact N-CZ 3.32Å
533	Y	95.8	Very high	94.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.173	C	C	.	.			trans	-122.5	86.9	175.3	-56.5	-93.9	0	0	0	107.9	F507 I508 L509 A531 S535 F536 R547 F548 D551	F507-Y533 AromaticContact CD1-CE2 3.87Å; F507-Y533 HydrophobicContact CD1-CE2 3.87Å; F507-Y533 HydrophobicContact CE1-CE2 4.21Å; I508-Y533 PolarHBondContact O-N 3.08Å; L509-Y533 HydrophobicContact CD2-CD2 3.67Å; L509-Y533 HydrophobicContact CD2-CE2 4.45Å; L509-Y533 HydrophobicContact CD2-CG 4.07Å; A531-Y533 HydrophobicContact CB-CE2 3.64Å; Y533-S535 PolarHBondContact O-N 3.3Å; Y533-F536 WeakPolarHBondContact O-CB 3.26Å; Y533-F536 PolarHBondContact O-N 3.04Å; Y533-R547 HydrophobicContact CD1-CG 4.49Å; Y533-R547 VanDerWaalsContact CD1-CZ 3.48Å; Y533-R547 HydrophobicContact CE1-CB 4.45Å; Y533-R547 HydrophobicContact CE1-CG 4.15Å; Y533-R547 VanDerWaalsContact CE1-CZ 3.48Å; Y533-F548 HydrophobicContact CD1-CB 4.01Å; Y533-F548 HydrophobicContact CD1-CD2 4.44Å; Y533-F548 HydrophobicContact CD2-CD2 4.12Å; Y533-F548 HydrophobicContact CE1-CB 3.92Å; Y533-F548 HydrophobicContact CE1-CD2 4.15Å; Y533-F548 AromaticContact CE2-CD2 3.83Å; Y533-F548 HydrophobicContact CE2-CD2 3.83Å; Y533-F548 HydrophobicContact CE2-CE2 4.45Å; Y533-F548 HydrophobicContact CG-CD2 4.42Å; Y533-F548 AromaticContact CZ-CD2 3.83Å; Y533-D551 WeakPolarHBondContact OH-CB 3.42Å; Y533-D551 PolarHBondContact OH-OD2 2.93Å
534	P	92.3	Very high	94.2	Very high	33 Å²	33	30.7 Å²	30.7	21%	0.214	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	131.6	-178.5	-26.7	36.3	0	0	0	112	D511 F536 N541	D511-P534 WeakPolarHBondContact OD1-CA 3.44Å; D511-P534 WeakPolarHBondContact OD1-CB 3.49Å; P534-F536 PolarHBondContact O-N 3.36Å; P534-N541 PolarHBondContact O-ND2 2.75Å
535	S	92.6	Very high	94.1	Very high	60 Å²	60	32 Å²	32	42%	0.42	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	36.3	-178.4	-56.5	0	0	0	0	113.4	D511 Y533 N537 N541	D511-S535 WeakPolarHBondContact CB-OG 3.2Å; D511-S535 PolarHBondContact OD1-N 3.33Å; D511-S535 PolarHBondContact OD1-OG 3.09Å; D511-S535 VanDerWaalsContact OD1-OG 3.05Å; D511-S535 PolarHBondContact OD2-OG 3.42Å; Y533-S535 PolarHBondContact O-N 3.3Å; S535-N537 PolarHBondContact O-N 2.87Å; S535-N541 VanDerWaalsContact O-CB 3.3Å; S535-N541 WeakPolarHBondContact O-CB 3.5Å; S535-N541 PolarHBondContact O-ND2 3.32Å
536	F	95.7	Very high	94	Very high	5 Å²	5	31.9 Å²	31.9	2%	0.022	19%	0.186	C	C	.	.			trans	-61.1	123.9	174.7	179.7	-85	0	0	0	110.2	L509 Y533 P534 I538 E544 L545 F548	L509-F536 HydrophobicContact CD2-CB 4.29Å; L509-F536 HydrophobicContact CD2-CD1 4.11Å; L509-F536 HydrophobicContact CD2-CD2 4.23Å; L509-F536 HydrophobicContact CD2-CG 3.93Å; Y533-F536 WeakPolarHBondContact O-CB 3.26Å; Y533-F536 PolarHBondContact O-N 3.04Å; P534-F536 PolarHBondContact O-N 3.36Å; F536-I538 HydrophobicContact CE1-CG2 4.14Å; F536-I538 HydrophobicContact CZ-CG2 4.12Å; F536-E544 HydrophobicContact CD2-CB 4Å; F536-L545 HydrophobicContact CZ-CD1 4.33Å; F536-F548 HydrophobicContact CD2-CB 4.03Å; F536-F548 HydrophobicContact CD2-CG 4.4Å; F536-F548 HydrophobicContact CE2-CB 3.51Å; F536-F548 AromaticContact CE2-CD1 3.81Å; F536-F548 HydrophobicContact CE2-CD1 3.81Å; F536-F548 AromaticContact CE2-CG 3.76Å; F536-F548 HydrophobicContact CE2-CG 3.76Å; F536-F548 HydrophobicContact CZ-CB 4.42Å; F536-F548 AromaticContact CZ-CD1 3.87Å; F536-F548 HydrophobicContact CZ-CD1 3.87Å; F536-F548 HydrophobicContact CZ-CE1 4.45Å; F536-F548 HydrophobicContact CZ-CG 4.27Å
537	N	95.2	Very high	93.8	Very high	31 Å²	31	32.5 Å²	32.5	17%	0.166	19%	0.188	C	C	.	.			trans	-159.6	128.3	173.9	179.5	-82.5	0	0	0	108.7	E336 T337 S535 C539 N540 N541	E336-N537 PolarHBondContact O-ND2 3.29Å; T337-N537 WeakPolarHBondContact O-CA 3.43Å; S535-N537 PolarHBondContact O-N 2.87Å; N537-C539 PolarHBondContact O-N 3.44Å; N537-C539 WeakPolarHBondContact OD1-CB 3.32Å; N537-C539 PolarHBondContact OD1-N 2.93Å; N537-N540 HydrophobicContact CB-CB 4.17Å; N537-N540 PolarHBondContact O-N 3.18Å; N537-N540 WeakPolarHBondContact OD1-CB 3.47Å; N537-N540 PolarHBondContact OD1-N 3.02Å; N537-N540 PolarHBondContact OD1-ND2 3.37Å; N537-N541 PolarHBondContact O-N 2.75Å
538	I	94.3	Very high	93.9	Very high	60 Å²	60	32.3 Å²	32.3	31%	0.308	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-27	-173.8	62.4	170.3	0	0	0	114.3	T337 V342 F536 L545	T337-I538 PolarHBondContact O-N 2.83Å; V342-I538 HydrophobicContact CG2-CG2 3.63Å; F536-I538 HydrophobicContact CE1-CG2 4.14Å; F536-I538 HydrophobicContact CZ-CG2 4.12Å; I538-L545 HydrophobicContact CG2-CD1 4.15Å
539	C	92.5	Very high	93.9	Very high	103 Å²	103	33.7 Å²	33.7	70%	0.696	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-38.9	-179.5	-62.3	0	0	0	0	112.2	N537	N537-C539 PolarHBondContact O-N 3.44Å; N537-C539 WeakPolarHBondContact OD1-CB 3.32Å; N537-C539 PolarHBondContact OD1-N 2.93Å
540	N	90.6	Very high	93.8	Very high	134 Å²	134	35.1 Å²	35.1	72%	0.717	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-14.5	-164.7	-61.1	-27.7	0	0	0	114.1	N537	N537-N540 HydrophobicContact CB-CB 4.17Å; N537-N540 PolarHBondContact O-N 3.18Å; N537-N540 WeakPolarHBondContact OD1-CB 3.47Å; N537-N540 PolarHBondContact OD1-N 3.02Å; N537-N540 PolarHBondContact OD1-ND2 3.37Å
541	N	90.9	Very high	93.7	Very high	21 Å²	21	35.3 Å²	35.3	11%	0.112	20%	0.204	C	C	.	.			trans	-137.8	74	-176.1	-167.2	-8.2	0	0	0	112.4	P534 S535 N537 T543 E544 L545	P534-N541 PolarHBondContact O-ND2 2.75Å; S535-N541 VanDerWaalsContact O-CB 3.3Å; S535-N541 WeakPolarHBondContact O-CB 3.5Å; S535-N541 PolarHBondContact O-ND2 3.32Å; N537-N541 PolarHBondContact O-N 2.75Å; N541-T543 PolarHBondContact O-N 3.28Å; N541-E544 WeakPolarHBondContact ND2-CG 3.41Å; N541-E544 PolarHBondContact O-N 2.94Å; N541-E544 PolarHBondContact OD1-N 2.92Å; N541-L545 PolarHBondContact O-N 2.7Å
542	P	90.4	Very high	93.7	Very high	64 Å²	64	35.3 Å²	35.3	42%	0.416	20%	0.203	S	C	.	.	H	α-helix	trans	-62.7	-25.2	-177.1	24.8	-34.7	0	0	0	113.6	V546 V830	P542-V546 WeakPolarHBondContact O-CG2 3.35Å; P542-V546 PolarHBondContact O-N 3.42Å; P542-V830 HydrophobicContact CB-CG2 4.45Å
543	T	91.1	Very high	93.6	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.018	22%	0.215	C	C	.	.	H	α-helix	trans	-66.2	-46.9	175.8	-50.6	0	0	0	0	111.4	N541 R547 Y799 P859 R861	N541-T543 PolarHBondContact O-N 3.28Å; T543-R547 WeakPolarHBondContact O-CB 3.45Å; T543-R547 PolarHBondContact O-N 3.49Å; T543-Y799 HydrophobicContact CG2-CD1 4.07Å; T543-Y799 HydrophobicContact CG2-CE1 4.14Å; T543-P859 HydrophobicContact CG2-CB 4.21Å; T543-P859 HydrophobicContact CG2-CG 4.11Å; T543-R861 HydrophobicContact CG2-CB 4.23Å
544	E	93.1	Very high	93.5	Very high	7 Å²	7	39.5 Å²	39.5	3%	0.033	22%	0.223	C	C	.	.	H	α-helix	trans	-73	-29.6	176.2	-64.3	-56.4	129	0	0	112.4	F536 N541 R547 F548 Y799	F536-E544 HydrophobicContact CD2-CB 4Å; N541-E544 WeakPolarHBondContact ND2-CG 3.41Å; N541-E544 PolarHBondContact O-N 2.94Å; N541-E544 PolarHBondContact OD1-N 2.92Å; E544-R547 PolarHBondContact O-N 2.73Å; E544-R547 IonicContact OE2-CZ 3.45Å; E544-R547 IonicContact OE2-NH1 3.31Å; E544-R547 PolarHBondContact OE2-NH1 2.87Å; E544-F548 VanDerWaalsContact O-CB 3.29Å; E544-F548 WeakPolarHBondContact O-CB 3.38Å; E544-F548 PolarHBondContact O-N 2.97Å; E544-Y799 VanDerWaalsContact CD-OH 3.31Å; E544-Y799 WeakPolarHBondContact OE1-CE1 3.49Å; E544-Y799 VanDerWaalsContact OE1-CZ 3.23Å; E544-Y799 PolarHBondContact OE1-OH 3.16Å; E544-Y799 PolarHBondContact OE2-OH 3.42Å
545	L	94.2	Very high	93.7	Very high	44 Å²	44	38.1 Å²	38.1	23%	0.23	21%	0.213	C	C	.	.	H	α-helix	trans	-57.6	-51.4	171	175.8	57.1	0	0	0	111.4	V342 F536 I538 N541 T549	V342-L545 HydrophobicContact CG1-CD1 4.13Å; V342-L545 HydrophobicContact CG2-CD1 3.88Å; F536-L545 HydrophobicContact CZ-CD1 4.33Å; I538-L545 HydrophobicContact CG2-CD1 4.15Å; N541-L545 PolarHBondContact O-N 2.7Å; L545-T549 VanDerWaalsContact O-CB 3.3Å; L545-T549 WeakPolarHBondContact O-CB 3.25Å; L545-T549 PolarHBondContact O-N 3.43Å; L545-T549 PolarHBondContact O-OG1 2.86Å
546	V	93.4	Very high	93.9	Very high	43 Å²	43	35.3 Å²	35.3	26%	0.261	19%	0.194	S	C	.	.	H	α-helix	trans	-63.4	-44.3	177.3	173.1	0	0	0	0	110.6	P542 F548 T549 E550 V830 P859	P542-V546 WeakPolarHBondContact O-CG2 3.35Å; P542-V546 PolarHBondContact O-N 3.42Å; V546-F548 PolarHBondContact O-N 3.17Å; V546-T549 PolarHBondContact O-N 3.14Å; V546-E550 HydrophobicContact CG1-CG 4.33Å; V546-E550 WeakPolarHBondContact CG1-OE1 3.49Å; V546-E550 WeakPolarHBondContact O-CB 3.48Å; V546-E550 PolarHBondContact O-N 2.81Å; V546-V830 HydrophobicContact CB-CG1 4.03Å; V546-V830 HydrophobicContact CG1-CG1 4Å; V546-V830 HydrophobicContact CG2-CG1 3.89Å; V546-P859 HydrophobicContact CB-CB 4.38Å; V546-P859 HydrophobicContact CG1-CB 4.05Å
547	R	94	Very high	93.9	Very high	13 Å²	13	38.7 Å²	38.7	5%	0.049	21%	0.211	C	C	.	.	H	α-helix	trans	-55	-55	177.3	-162.3	-174.1	135.7	-144.1	-3.5	112	H532 Y533 T543 E544 T549 E550 D551 Y799 A857 P859	H532-R547 PolarHBondContact O-NH1 2.8Å; H532-R547 PolarHBondContact O-NH2 2.83Å; Y533-R547 HydrophobicContact CD1-CG 4.49Å; Y533-R547 VanDerWaalsContact CD1-CZ 3.48Å; Y533-R547 HydrophobicContact CE1-CB 4.45Å; Y533-R547 HydrophobicContact CE1-CG 4.15Å; Y533-R547 VanDerWaalsContact CE1-CZ 3.48Å; T543-R547 WeakPolarHBondContact O-CB 3.45Å; T543-R547 PolarHBondContact O-N 3.49Å; E544-R547 PolarHBondContact O-N 2.73Å; E544-R547 IonicContact OE2-CZ 3.45Å; E544-R547 IonicContact OE2-NH1 3.31Å; E544-R547 PolarHBondContact OE2-NH1 2.87Å; R547-T549 VanDerWaalsContact C-N 3.34Å; R547-T549 PolarHBondContact O-N 3.11Å; R547-E550 PolarHBondContact O-N 2.93Å; R547-D551 IonicContact NE-OD2 3.2Å; R547-D551 PolarHBondContact NE-OD2 2.86Å; R547-D551 VanDerWaalsContact O-CB 3.24Å; R547-D551 WeakPolarHBondContact O-CB 3.48Å; R547-D551 PolarHBondContact O-N 3.27Å; R547-Y799 PolarHBondContact NH1-OH 3Å; R547-A857 HydrophobicContact CG-CB 4.22Å; R547-P859 HydrophobicContact CB-CG 3.96Å; R547-P859 HydrophobicContact CG-CG 4.25Å
548	F	95.6	Very high	93.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.3	-43.7	179.6	179.1	-108.2	0	0	0	111.6	V342 F343 F454 F507 L509 Y533 F536 E544 V546 D551 M552	V342-F548 HydrophobicContact CB-CE1 4.35Å; V342-F548 HydrophobicContact CG1-CD1 4.02Å; V342-F548 HydrophobicContact CG1-CE1 4.13Å; F343-F548 HydrophobicContact CB-CE1 4.34Å; F343-F548 HydrophobicContact CB-CZ 4.23Å; F343-F548 HydrophobicContact CD2-CZ 4.35Å; F454-F548 HydrophobicContact CE1-CE2 4.32Å; F454-F548 HydrophobicContact CE1-CZ 4.25Å; F507-F548 HydrophobicContact CD1-CE2 4.35Å; L509-F548 HydrophobicContact CD1-CE2 4.28Å; L509-F548 HydrophobicContact CD1-CZ 4.44Å; L509-F548 HydrophobicContact CD2-CD2 3.76Å; L509-F548 HydrophobicContact CD2-CE2 3.72Å; L509-F548 HydrophobicContact CD2-CG 4.43Å; L509-F548 HydrophobicContact CD2-CZ 4.35Å; Y533-F548 HydrophobicContact CD1-CB 4.01Å; Y533-F548 HydrophobicContact CD1-CD2 4.44Å; Y533-F548 HydrophobicContact CD2-CD2 4.12Å; Y533-F548 HydrophobicContact CE1-CB 3.92Å; Y533-F548 HydrophobicContact CE1-CD2 4.15Å; Y533-F548 AromaticContact CE2-CD2 3.83Å; Y533-F548 HydrophobicContact CE2-CD2 3.83Å; Y533-F548 HydrophobicContact CE2-CE2 4.45Å; Y533-F548 HydrophobicContact CG-CD2 4.42Å; Y533-F548 AromaticContact CZ-CD2 3.83Å; F536-F548 HydrophobicContact CD2-CB 4.03Å; F536-F548 HydrophobicContact CD2-CG 4.4Å; F536-F548 HydrophobicContact CE2-CB 3.51Å; F536-F548 AromaticContact CE2-CD1 3.81Å; F536-F548 HydrophobicContact CE2-CD1 3.81Å; F536-F548 AromaticContact CE2-CG 3.76Å; F536-F548 HydrophobicContact CE2-CG 3.76Å; F536-F548 HydrophobicContact CZ-CB 4.42Å; F536-F548 AromaticContact CZ-CD1 3.87Å; F536-F548 HydrophobicContact CZ-CD1 3.87Å; F536-F548 HydrophobicContact CZ-CE1 4.45Å; F536-F548 HydrophobicContact CZ-CG 4.27Å; E544-F548 VanDerWaalsContact O-CB 3.29Å; E544-F548 WeakPolarHBondContact O-CB 3.38Å; E544-F548 PolarHBondContact O-N 2.97Å; V546-F548 PolarHBondContact O-N 3.17Å; F548-D551 PolarHBondContact O-N 2.82Å; F548-M552 HydrophobicContact CD1-CG 4.28Å; F548-M552 HydrophobicContact CD2-CE 4.26Å; F548-M552 HydrophobicContact CD2-CG 4.22Å; F548-M552 HydrophobicContact CE1-CG 3.98Å; F548-M552 HydrophobicContact CE2-CE 3.92Å; F548-M552 HydrophobicContact CE2-CG 3.91Å; F548-M552 HydrophobicContact CE2-SD 4.02Å; F548-M552 HydrophobicContact CG-CG 4.4Å; F548-M552 HydrophobicContact CZ-CG 3.79Å; F548-M552 HydrophobicContact CZ-SD 4.09Å; F548-M552 VanDerWaalsContact O-CB 3.3Å; F548-M552 WeakPolarHBondContact O-CB 3.28Å; F548-M552 WeakPolarHBondContact O-CG 3.48Å; F548-M552 PolarHBondContact O-N 3.07Å
549	T	94.8	Very high	93.9	Very high	30 Å²	30	39.7 Å²	39.7	18%	0.184	21%	0.212	C	C	.	.	H	α-helix	trans	-62.6	-45.6	-179.6	-56.2	0	0	0	0	111.8	K346 L545 V546 R547 N553	K346-T549 HydrophobicContact CD-CG2 3.7Å; K346-T549 HydrophobicContact CG-CG2 4.25Å; L545-T549 VanDerWaalsContact O-CB 3.3Å; L545-T549 WeakPolarHBondContact O-CB 3.25Å; L545-T549 PolarHBondContact O-N 3.43Å; L545-T549 PolarHBondContact O-OG1 2.86Å; V546-T549 PolarHBondContact O-N 3.14Å; R547-T549 VanDerWaalsContact C-N 3.34Å; R547-T549 PolarHBondContact O-N 3.11Å; T549-N553 VanDerWaalsContact O-CG 3.32Å; T549-N553 PolarHBondContact O-N 2.81Å; T549-N553 PolarHBondContact O-ND2 2.92Å; T549-N553 PolarHBondContact O-OD1 2.72Å
550	E	92.9	Very high	94.1	Very high	75 Å²	75	34.8 Å²	34.8	35%	0.35	18%	0.179	S	C	.	.	H	α-helix	trans	-69.7	-43.8	176.9	-73.7	179.3	-173.6	0	0	112	V546 R547 M552 N553 R554 A857	V546-E550 HydrophobicContact CG1-CG 4.33Å; V546-E550 WeakPolarHBondContact CG1-OE1 3.49Å; V546-E550 WeakPolarHBondContact O-CB 3.48Å; V546-E550 PolarHBondContact O-N 2.81Å; R547-E550 PolarHBondContact O-N 2.93Å; E550-M552 VanDerWaalsContact C-N 3.27Å; E550-M552 PolarHBondContact O-N 3.44Å; E550-N553 WeakPolarHBondContact O-CB 3.32Å; E550-N553 PolarHBondContact O-N 2.81Å; E550-R554 PolarHBondContact O-N 3.1Å; E550-A857 HydrophobicContact CB-CB 3.51Å; E550-A857 WeakPolarHBondContact OE2-CB 3.3Å
551	D	94.9	Very high	94.4	Very high	11 Å²	11	28.4 Å²	28.4	6%	0.059	15%	0.145	C	C	.	.	H	α-helix	trans	-63.2	-33	176.2	-76.3	-20.6	0	0	0	111.2	Y533 R547 F548 R554 Y555 A857	Y533-D551 WeakPolarHBondContact OH-CB 3.42Å; Y533-D551 PolarHBondContact OH-OD2 2.93Å; R547-D551 IonicContact NE-OD2 3.2Å; R547-D551 PolarHBondContact NE-OD2 2.86Å; R547-D551 VanDerWaalsContact O-CB 3.24Å; R547-D551 WeakPolarHBondContact O-CB 3.48Å; R547-D551 PolarHBondContact O-N 3.27Å; F548-D551 PolarHBondContact O-N 2.82Å; D551-R554 PolarHBondContact O-N 2.87Å; D551-Y555 WeakPolarHBondContact O-CB 3.49Å; D551-Y555 PolarHBondContact O-N 3.08Å; D551-A857 WeakPolarHBondContact OD1-CB 3.47Å; D551-A857 PolarHBondContact OD1-N 2.77Å; D551-A857 VanDerWaalsContact OD1-N 3.09Å
552	M	96.1	Very high	94.6	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.9	-41.1	173.1	-77.8	-52.7	95.6	0	0	112.6	F343 K346 F507 F548 E550 R554 Y555 L556	F343-M552 HydrophobicContact CD2-CG 4.13Å; F343-M552 HydrophobicContact CD2-SD 3.56Å; F343-M552 VanDerWaalsContact CD2-SD 3.56Å; F343-M552 HydrophobicContact CE2-SD 3.6Å; F343-M552 VanDerWaalsContact CE2-SD 3.6Å; K346-M552 HydrophobicContact CB-CB 4.25Å; K346-M552 HydrophobicContact CG-CB 4.16Å; F507-M552 HydrophobicContact CD1-CE 3.85Å; F507-M552 HydrophobicContact CE1-CE 3.19Å; F507-M552 HydrophobicContact CZ-CE 3.73Å; F548-M552 HydrophobicContact CD1-CG 4.28Å; F548-M552 HydrophobicContact CD2-CE 4.26Å; F548-M552 HydrophobicContact CD2-CG 4.22Å; F548-M552 HydrophobicContact CE1-CG 3.98Å; F548-M552 HydrophobicContact CE2-CE 3.92Å; F548-M552 HydrophobicContact CE2-CG 3.91Å; F548-M552 HydrophobicContact CE2-SD 4.02Å; F548-M552 HydrophobicContact CG-CG 4.4Å; F548-M552 HydrophobicContact CZ-CG 3.79Å; F548-M552 HydrophobicContact CZ-SD 4.09Å; F548-M552 VanDerWaalsContact O-CB 3.3Å; F548-M552 WeakPolarHBondContact O-CB 3.28Å; F548-M552 WeakPolarHBondContact O-CG 3.48Å; F548-M552 PolarHBondContact O-N 3.07Å; E550-M552 VanDerWaalsContact C-N 3.27Å; E550-M552 PolarHBondContact O-N 3.44Å; M552-R554 VanDerWaalsContact C-N 3.3Å; M552-R554 PolarHBondContact O-N 2.89Å; M552-Y555 HydrophobicContact CE-CD1 4.19Å; M552-Y555 HydrophobicContact CE-CG 4.13Å; M552-Y555 PolarHBondContact O-N 3.27Å; M552-Y555 HydrophobicContact SD-CD1 4.2Å; M552-L556 WeakPolarHBondContact O-CB 3.48Å; M552-L556 VanDerWaalsContact O-CG 3.28Å; M552-L556 WeakPolarHBondContact O-CG 3.42Å; M552-L556 PolarHBondContact O-N 3.5Å
553	N	94.6	Very high	94.8	Very high	47 Å²	47	26 Å²	26	25%	0.251	13%	0.127	S	C	.	.	H	α-helix	trans	-56.3	-46.8	173.8	-60.6	-31.7	0	0	0	110.5	K346 H350 T549 E550 L557	K346-N553 WeakPolarHBondContact CD-OD1 3.24Å; H350-N553 PolarHBondContact NE2-OD1 2.9Å; T549-N553 VanDerWaalsContact O-CG 3.32Å; T549-N553 PolarHBondContact O-N 2.81Å; T549-N553 PolarHBondContact O-ND2 2.92Å; T549-N553 PolarHBondContact O-OD1 2.72Å; E550-N553 WeakPolarHBondContact O-CB 3.32Å; E550-N553 PolarHBondContact O-N 2.81Å; N553-L557 VanDerWaalsContact O-CB 3.3Å; N553-L557 WeakPolarHBondContact O-CB 3.5Å; N553-L557 VanDerWaalsContact O-CG 3.26Å; N553-L557 WeakPolarHBondContact O-CG 2.98Å; N553-L557 PolarHBondContact O-N 2.96Å
554	R	94.9	Very high	95.1	Very high	45 Å²	45	25.8 Å²	25.8	17%	0.17	13%	0.126	C	C	.	.	H	α-helix	trans	-67.3	-44.7	176.1	175.9	58.9	178.9	-172.5	-9	112.2	D234 E550 D551 M552 L556 L557 R558 D599 P855 L856	D234-R554 IonicContact OD2-CZ 2.73Å; D234-R554 IonicContact OD2-NH1 3.69Å; D234-R554 PolarHBondContact OD2-NH1 3.21Å; D234-R554 VanDerWaalsContact OD2-NH1 3.13Å; D234-R554 IonicContact OD2-NH2 3.48Å; D234-R554 PolarHBondContact OD2-NH2 2.74Å; E550-R554 PolarHBondContact O-N 3.1Å; D551-R554 PolarHBondContact O-N 2.87Å; M552-R554 VanDerWaalsContact C-N 3.3Å; M552-R554 PolarHBondContact O-N 2.89Å; R554-L556 VanDerWaalsContact C-N 3.34Å; R554-L556 PolarHBondContact O-N 2.99Å; R554-L557 PolarHBondContact O-N 2.97Å; R554-R558 WeakPolarHBondContact O-CB 3.21Å; R554-R558 WeakPolarHBondContact O-CG 3.36Å; R554-R558 PolarHBondContact O-N 2.96Å; R554-D599 IonicContact CZ-OD1 3.93Å; R554-D599 VanDerWaalsContact CZ-OD1 3.31Å; R554-D599 IonicContact NE-OD1 3.13Å; R554-D599 PolarHBondContact NE-OD1 3.12Å; R554-D599 IonicContact NE-OD2 2.83Å; R554-D599 IonicContact NH2-OD1 3.19Å; R554-D599 PolarHBondContact NH2-OD1 2.84Å; R554-P855 WeakPolarHBondContact CB-O 3.49Å; R554-P855 WeakPolarHBondContact CD-O 3.44Å; R554-P855 HydrophobicContact CG-CB 4.42Å; R554-P855 VanDerWaalsContact CG-O 3.28Å; R554-P855 WeakPolarHBondContact CG-O 3.29Å; R554-L856 HydrophobicContact CB-CD2 4.34Å; R554-L856 HydrophobicContact CG-CD2 3.89Å
555	Y	96.2	Very high	95.3	Very high	5 Å²	5	27 Å²	27	2%	0.02	13%	0.134	C	C	.	.	H	α-helix	trans	-65.3	-34	-174.1	173.9	-92.8	0	0	0	114.1	R450 T452 D505 F507 Y529 D551 M552	R450-Y555 VanDerWaalsContact CZ-CZ 3.47Å; R450-Y555 PolarHBondContact NE-OH 2.7Å; R450-Y555 PolarHBondContact NH1-O 3.16Å; R450-Y555 VanDerWaalsContact NH2-CD2 3.3Å; R450-Y555 PolarHBondContact NH2-O 2.8Å; R450-Y555 PolarHBondContact NH2-OH 3.19Å; T452-Y555 WeakPolarHBondContact CB-OH 3.2Å; T452-Y555 HydrophobicContact CG2-CE1 3.81Å; T452-Y555 WeakPolarHBondContact CG2-OH 3.4Å; T452-Y555 PolarHBondContact OG1-OH 3.32Å; D505-Y555 HydrophobicContact CB-CE2 4.09Å; D505-Y555 WeakPolarHBondContact CB-OH 3.31Å; D505-Y555 VanDerWaalsContact OD2-CE2 3.24Å; D505-Y555 WeakPolarHBondContact OD2-CE2 3.48Å; D505-Y555 PolarHBondContact OD2-OH 2.71Å; F507-Y555 HydrophobicContact CE2-CD2 4Å; F507-Y555 HydrophobicContact CE2-CE1 4.06Å; F507-Y555 AromaticContact CE2-CE2 3.31Å; F507-Y555 HydrophobicContact CE2-CE2 3.31Å; F507-Y555 AromaticContact CE2-CZ 3.37Å; F507-Y555 HydrophobicContact CZ-CD1 4.28Å; F507-Y555 AromaticContact CZ-CD2 3.46Å; F507-Y555 HydrophobicContact CZ-CD2 3.46Å; F507-Y555 VanDerWaalsContact CZ-CD2 3.46Å; F507-Y555 HydrophobicContact CZ-CE1 4.19Å; F507-Y555 AromaticContact CZ-CE2 3.28Å; F507-Y555 HydrophobicContact CZ-CE2 3.28Å; F507-Y555 AromaticContact CZ-CG 3.94Å; F507-Y555 HydrophobicContact CZ-CG 3.94Å; F507-Y555 AromaticContact CZ-CZ 3.7Å; Y529-Y555 HydrophobicContact CD1-CD2 4.02Å; Y529-Y555 AromaticContact CD1-CE2 3.91Å; Y529-Y555 HydrophobicContact CD1-CE2 3.91Å; Y529-Y555 HydrophobicContact CE1-CD2 4.3Å; D551-Y555 WeakPolarHBondContact O-CB 3.49Å; D551-Y555 PolarHBondContact O-N 3.08Å; M552-Y555 HydrophobicContact CE-CD1 4.19Å; M552-Y555 HydrophobicContact CE-CG 4.13Å; M552-Y555 PolarHBondContact O-N 3.27Å; M552-Y555 HydrophobicContact SD-CD1 4.2Å
556	L	97	Very high	95.5	Very high	1 Å²	1	25 Å²	25	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-80.2	-40.2	176.9	-64.9	174.6	0	0	0	111.8	F326 F343 K346 L347 H350 L354 P355 M552 R554	F326-L556 HydrophobicContact CE1-CD2 4.46Å; F343-L556 HydrophobicContact CE2-CD2 4.3Å; F343-L556 HydrophobicContact CZ-CD2 4.35Å; K346-L556 HydrophobicContact CB-CD1 4.38Å; L347-L556 HydrophobicContact CB-CD1 4.4Å; L347-L556 HydrophobicContact CD1-CD1 4.33Å; L347-L556 HydrophobicContact CD1-CD2 3.96Å; H350-L556 HydrophobicContact CB-CB 4.44Å; H350-L556 HydrophobicContact CB-CD1 4.38Å; L354-L556 HydrophobicContact CD2-CB 3.99Å; L354-L556 HydrophobicContact CD2-CD2 4.07Å; P355-L556 WeakPolarHBondContact CD-O 3.47Å; M552-L556 WeakPolarHBondContact O-CB 3.48Å; M552-L556 VanDerWaalsContact O-CG 3.28Å; M552-L556 WeakPolarHBondContact O-CG 3.42Å; M552-L556 PolarHBondContact O-N 3.5Å; R554-L556 VanDerWaalsContact C-N 3.34Å; R554-L556 PolarHBondContact O-N 2.99Å
557	L	95.7	Very high	95.7	Very high	75 Å²	75	26.3 Å²	26.3	39%	0.393	12%	0.123	S	C	.	.	H	α-helix	trans	-93.2	-13.2	-174.2	-60.2	176.6	0	0	0	115.2	H350 A353 N553 R554	H350-L557 HydrophobicContact CB-CD2 3.91Å; H350-L557 HydrophobicContact CB-CG 4.42Å; A353-L557 HydrophobicContact CB-CD2 3.57Å; A353-L557 WeakPolarHBondContact O-CD2 3.43Å; N553-L557 VanDerWaalsContact O-CB 3.3Å; N553-L557 WeakPolarHBondContact O-CB 3.5Å; N553-L557 VanDerWaalsContact O-CG 3.26Å; N553-L557 WeakPolarHBondContact O-CG 2.98Å; N553-L557 PolarHBondContact O-N 2.96Å; R554-L557 PolarHBondContact O-N 2.97Å
558	R	95	Very high	95.8	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.015	12%	0.122	C	C	.	.	S	Bend	trans	-62.1	146	-179.3	64.1	-176.4	-174.7	-179.7	0.7	111.4	P355 D505 R554 I560 P598 D599	P355-R558 VanDerWaalsContact CG-O 3.25Å; P355-R558 WeakPolarHBondContact CG-O 3.39Å; D505-R558 IonicContact OD2-NH2 3.98Å; D505-R558 PolarHBondContact OD2-NH2 3.08Å; R554-R558 WeakPolarHBondContact O-CB 3.21Å; R554-R558 WeakPolarHBondContact O-CG 3.36Å; R554-R558 PolarHBondContact O-N 2.96Å; R558-I560 PolarHBondContact O-N 2.94Å; R558-P598 HydrophobicContact CB-CG 4.15Å; R558-D599 WeakPolarHBondContact CD-OD2 3.22Å; R558-D599 IonicContact CZ-OD2 3.3Å; R558-D599 IonicContact NE-OD2 2.99Å; R558-D599 IonicContact NH1-OD2 3.72Å; R558-D599 PolarHBondContact NH1-OD2 3.37Å
559	K	94.5	Very high	95.9	Very high	108 Å²	108	26.7 Å²	26.7	47%	0.47	13%	0.125	S	C	.	.			trans	-55.6	139.1	169.2	-63.6	173.9	-170.3	144.9	0	110.3	Y232 D234 P598	Y232-K559 HydrophobicContact CE1-CB 3.86Å; D234-K559 IonicContact OD1-NZ 3.96Å; D234-K559 PolarHBondContact OD1-NZ 2.92Å; K559-P598 WeakPolarHBondContact O-CD 3.3Å
560	I	96.1	Very high	96	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.124	C	C	.	.			trans	-131.2	138.8	174.5	-170.2	167.2	0	0	0	108.9	P355 R450 R558 F562 N595 V596	P355-I560 HydrophobicContact CB-CG2 4.02Å; P355-I560 HydrophobicContact CG-CG2 4.44Å; R450-I560 HydrophobicContact CG-CD1 4.45Å; R558-I560 PolarHBondContact O-N 2.94Å; I560-F562 HydrophobicContact CD1-CE1 4.01Å; I560-F562 HydrophobicContact CD1-CZ 4.01Å; I560-F562 HydrophobicContact CG1-CE1 4.4Å; I560-F562 HydrophobicContact CG1-CZ 4.24Å; I560-F562 HydrophobicContact CG2-CE2 3.81Å; I560-F562 HydrophobicContact CG2-CZ 3.89Å; I560-N595 HydrophobicContact CD1-CB 4.04Å; I560-N595 HydrophobicContact CG1-CB 4.18Å; I560-V596 WeakPolarHBondContact CA-O 3.32Å
561	G	96.2	Very high	96.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	147.8	165.7	0	0	0	0	0	110.4	N595 V596 T626	G561-N595 CarbonylContact O-C 3.5Å; G561-N595 WeakPolarHBondContact O-CA 3.44Å; G561-V596 PolarHBondContact N-O 3.3Å; G561-V596 PolarHBondContact O-N 3.42Å; G561-T626 CarbonylContact C-O 2.98Å; G561-T626 WeakPolarHBondContact CA-O 3.34Å
562	F	96	Very high	96.1	Very high	12 Å²	12	26 Å²	26	5%	0.053	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	164.8	178.2	-60.3	-82.4	0	0	0	111.5	A322 Y324 R450 I560 A564 A594 T626	A322-F562 HydrophobicContact CB-CE2 3.99Å; A322-F562 HydrophobicContact CB-CZ 4.19Å; Y324-F562 HydrophobicContact CE1-CZ 4.32Å; R450-F562 HydrophobicContact CB-CE1 4.34Å; I560-F562 HydrophobicContact CD1-CE1 4.01Å; I560-F562 HydrophobicContact CD1-CZ 4.01Å; I560-F562 HydrophobicContact CG1-CE1 4.4Å; I560-F562 HydrophobicContact CG1-CZ 4.24Å; I560-F562 HydrophobicContact CG2-CE2 3.81Å; I560-F562 HydrophobicContact CG2-CZ 3.89Å; F562-A564 PolarHBondContact O-N 2.95Å; F562-A594 CarbonylContact C-O 3.53Å; F562-A594 WeakPolarHBondContact CA-O 3.28Å; F562-T626 PolarHBondContact N-O 2.8Å; F562-T626 PolarHBondContact O-N 3.38Å
563	E	95.2	Very high	95.9	Very high	22 Å²	22	26.6 Å²	26.6	10%	0.103	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	50.9	43.1	175.1	-48.8	-172.9	125.4	0	0	112.7	R317 Q501 A594 T626 R632	R317-E563 IonicContact CZ-OE1 3.87Å; R317-E563 VanDerWaalsContact CZ-OE1 3.3Å; R317-E563 IonicContact NE-OE1 3.32Å; R317-E563 PolarHBondContact NE-OE1 3.21Å; R317-E563 IonicContact NH2-OE1 2.74Å; R317-E563 PolarHBondContact NH2-OE1 3.04Å; Q501-E563 HydrophobicContact CB-CG 3.96Å; Q501-E563 HydrophobicContact CG-CB 4.39Å; Q501-E563 HydrophobicContact CG-CG 3.9Å; E563-A594 PolarHBondContact N-O 2.73Å; E563-T626 PolarHBondContact OE2-OG1 3.38Å; E563-R632 PolarHBondContact O-NH1 3.09Å; E563-R632 PolarHBondContact O-NH2 3.16Å
564	A	96.4	Very high	96	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	138.1	-164.7	0	0	0	0	0	112.5	F562 L593 V596 L623 L624	F562-A564 PolarHBondContact O-N 2.95Å; A564-L593 WeakPolarHBondContact CA-O 3.46Å; A564-L593 HydrophobicContact CB-CB 4.38Å; A564-L593 WeakPolarHBondContact CB-O 3.47Å; A564-L593 PolarHBondContact N-O 3.15Å; A564-L593 PolarHBondContact O-N 3.27Å; A564-L593 VanDerWaalsContact O-O 3.07Å; A564-V596 HydrophobicContact CB-CB 4.07Å; A564-V596 HydrophobicContact CB-CG1 3.88Å; A564-L623 HydrophobicContact CB-CD1 4.22Å; A564-L624 CarbonylContact C-O 3.5Å; A564-L624 WeakPolarHBondContact CA-O 3.24Å
565	V	96.9	Very high	96.1	Very high	33 Å²	33	23.7 Å²	23.7	20%	0.2	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	115.8	177.4	-176.2	0	0	0	0	108.7	V590 L624	V565-V590 HydrophobicContact CG1-CG1 3.49Å; V565-V590 VanDerWaalsContact CG1-CG1 3.49Å; V565-L624 PolarHBondContact N-O 3.35Å; V565-L624 PolarHBondContact O-N 3.24Å
566	L	98	Very high	96.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128.1	175	175.4	67.1	0	0	0	109.4	P231 V590 V591 L593 M602 A621 A622 L623	P231-L566 HydrophobicContact CB-CD1 4.11Å; P231-L566 HydrophobicContact CB-CD2 4.43Å; P231-L566 HydrophobicContact CG-CD2 4.3Å; L566-V590 WeakPolarHBondContact O-CA 3.48Å; L566-V591 HydrophobicContact CB-CG2 3.77Å; L566-V591 HydrophobicContact CD2-CG2 4.15Å; L566-V591 HydrophobicContact CG-CG2 4.31Å; L566-V591 PolarHBondContact N-O 3.02Å; L566-V591 PolarHBondContact O-N 3.42Å; L566-L593 HydrophobicContact CB-CD1 4.38Å; L566-M602 HydrophobicContact CD2-CE 4.21Å; L566-M602 HydrophobicContact CD2-SD 3.52Å; L566-M602 VanDerWaalsContact CD2-SD 3.52Å; L566-A621 HydrophobicContact CD1-CB 4.23Å; L566-A622 WeakPolarHBondContact CA-O 3.42Å; L566-L623 HydrophobicContact CB-CD1 4.11Å; L566-L623 HydrophobicContact CD1-CB 4.27Å
567	R	97.8	Very high	96.1	Very high	71 Å²	71	24.9 Å²	24.9	27%	0.268	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	131.1	172.4	-174.3	167.7	-170.3	171	6.9	110.8	R569 D589 V590 A622	R567-R569 HydrophobicContact CG-CG 4.48Å; R567-D589 WeakPolarHBondContact CA-O 3.34Å; R567-D589 WeakPolarHBondContact CG-O 3.47Å; R567-D589 IonicContact CZ-OD2 2.61Å; R567-D589 IonicContact NE-OD2 2.78Å; R567-D589 PolarHBondContact NE-OD2 3.34Å; R567-D589 IonicContact NH2-OD1 3.64Å; R567-D589 IonicContact NH2-OD2 3.86Å; R567-D589 PolarHBondContact NH2-OD2 2.96Å; R567-V590 HydrophobicContact CB-CG2 4.03Å; R567-V590 HydrophobicContact CG-CG2 3.7Å; R567-A622 PolarHBondContact N-O 3.45Å; R567-A622 PolarHBondContact O-N 2.81Å
568	V	97.9	Very high	96.1	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.018	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	123.2	174.1	177.9	0	0	0	0	109	L227 V576 F579 D589 V604 Q620 A621	L227-V568 HydrophobicContact CD1-CG1 4.15Å; V568-V576 HydrophobicContact CB-CG2 4.14Å; V568-V576 HydrophobicContact CG1-CG2 4.03Å; V568-F579 HydrophobicContact CB-CE1 4.44Å; V568-F579 HydrophobicContact CB-CZ 4.3Å; V568-F579 HydrophobicContact CG2-CE1 3.81Å; V568-F579 HydrophobicContact CG2-CZ 4.12Å; V568-D589 PolarHBondContact N-O 2.99Å; V568-D589 VanDerWaalsContact N-O 3.08Å; V568-V604 HydrophobicContact CG2-CG2 4.36Å; V568-Q620 WeakPolarHBondContact CA-O 3.45Å; V568-A621 HydrophobicContact CG2-CB 4.36Å
569	R	97.7	Very high	96.2	Very high	19 Å²	19	21.5 Å²	21.5	7%	0.072	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	141.8	174.8	-65.5	179.8	180	78.5	-5.4	110.1	C252 R253 L272 R567 F619 Q620	C252-R569 PolarHBondContact O-NE 3.03Å; R253-R569 VanDerWaalsContact O-CZ 3.23Å; R253-R569 PolarHBondContact O-NE 3.12Å; R253-R569 PolarHBondContact O-NH2 3.45Å; R253-R569 VanDerWaalsContact O-NH2 3.13Å; L272-R569 HydrophobicContact CD2-CB 3.67Å; R567-R569 HydrophobicContact CG-CG 4.48Å; R569-F619 CarbonylContact O-C 3.45Å; R569-F619 WeakPolarHBondContact O-CA 3.36Å; R569-Q620 PolarHBondContact N-O 3.26Å; R569-Q620 PolarHBondContact O-N 3.19Å
570	C	96.8	Very high	96.4	Very high	24 Å²	24	16.3 Å²	16.3	16%	0.162	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	158.6	-178.3	-47.5	0	0	0	0	110.7	L272 F574 C618 F619	L272-C570 WeakPolarHBondContact CD2-O 3.3Å; C570-F574 HydrophobicContact CB-CB 3.67Å; C570-F574 WeakPolarHBondContact CB-O 3.39Å; C570-C618 CarbonylContact C-O 3.55Å; C570-F619 HydrophobicContact CB-CD1 3.81Å; C570-F619 HydrophobicContact CB-CE1 3.84Å
571	S	96	Very high	96.4	Very high	8 Å²	8	16.4 Å²	16.4	6%	0.056	10%	0.097	C	C	.	.			trans	-61	154.1	165.1	-73.1	0	0	0	0	111.3	N271 L272 F574 C618	N271-S571 PolarHBondContact O-OG 3.26Å; L272-S571 CarbonylContact O-C 3.6Å; L272-S571 WeakPolarHBondContact O-CA 3.41Å; S571-F574 PolarHBondContact O-N 3.38Å; S571-F574 VanDerWaalsContact O-N 3.08Å; S571-C618 PolarHBondContact N-O 2.8Å; S571-C618 PolarHBondContact OG-N 2.67Å; S571-C618 PolarHBondContact OG-O 3.48Å
572	A	92.2	Very high	96.4	Very high	70 Å²	70	16.5 Å²	16.5	58%	0.579	10%	0.098	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.3	140.4	175.9	0	0	0	0	0	111.7	L272 F574 I612	L272-A572 PolarHBondContact O-N 3.2Å; A572-F574 VanDerWaalsContact C-N 3.34Å; A572-I612 WeakPolarHBondContact O-CG1 3.29Å
573	G	93.4	Very high	96.3	Very high	11 Å²	11	16.4 Å²	16.4	11%	0.113	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.3	-18.9	-171.5	0	0	0	0	0	114.9	I608 E609 D610	G573-I608 CarbonylContact O-C 3.52Å; G573-I608 VanDerWaalsContact O-CA 3.3Å; G573-I608 WeakPolarHBondContact O-CA 3.39Å; G573-E609 PolarHBondContact O-N 3.1Å; G573-D610 PolarHBondContact O-N 3.12Å
574	F	96.2	Very high	96.3	Very high	13 Å²	13	17.1 Å²	17.1	6%	0.057	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	141.5	175.8	-64.5	-89.3	0	0	0	112.5	V211 L225 C570 S571 A572 E607 I608 I612 A617 F619	V211-F574 HydrophobicContact CB-CE1 4.37Å; V211-F574 HydrophobicContact CB-CZ 4.24Å; V211-F574 HydrophobicContact CG2-CE1 4.24Å; V211-F574 HydrophobicContact CG2-CE2 4.49Å; V211-F574 HydrophobicContact CG2-CZ 3.65Å; L225-F574 HydrophobicContact CD2-CD1 3.9Å; L225-F574 HydrophobicContact CD2-CE1 3.76Å; C570-F574 HydrophobicContact CB-CB 3.67Å; C570-F574 WeakPolarHBondContact CB-O 3.39Å; S571-F574 PolarHBondContact O-N 3.38Å; S571-F574 VanDerWaalsContact O-N 3.08Å; A572-F574 VanDerWaalsContact C-N 3.34Å; F574-E607 WeakPolarHBondContact CA-O 3.37Å; F574-I608 HydrophobicContact CD1-CG1 3.8Å; F574-I608 HydrophobicContact CE1-CD1 3.95Å; F574-I608 HydrophobicContact CE1-CG1 3.67Å; F574-I612 HydrophobicContact CD2-CD1 3.91Å; F574-I612 HydrophobicContact CD2-CG1 4.16Å; F574-I612 HydrophobicContact CE1-CD1 4.23Å; F574-I612 HydrophobicContact CE2-CD1 3.33Å; F574-I612 HydrophobicContact CE2-CG1 3.7Å; F574-I612 HydrophobicContact CZ-CD1 3.53Å; F574-I612 HydrophobicContact CZ-CG1 4.36Å; F574-A617 HydrophobicContact CD2-CB 4.1Å; F574-A617 HydrophobicContact CE2-CB 3.41Å; F574-A617 VanDerWaalsContact CE2-CB 3.41Å; F574-A617 HydrophobicContact CZ-CB 3.92Å; F574-F619 HydrophobicContact CB-CE1 3.99Å; F574-F619 HydrophobicContact CB-CZ 4.45Å; F574-F619 HydrophobicContact CD1-CE1 4.18Å; F574-F619 AromaticContact CD1-CZ 3.91Å; F574-F619 HydrophobicContact CD1-CZ 3.91Å; F574-F619 HydrophobicContact CD2-CZ 4.3Å; F574-F619 HydrophobicContact CE1-CZ 4.18Å; F574-F619 HydrophobicContact CG-CE1 4.01Å; F574-F619 AromaticContact CG-CZ 3.97Å; F574-F619 HydrophobicContact CG-CZ 3.97Å; F574-F619 HydrophobicContact CZ-CZ 4.49Å
575	A	96.7	Very high	96.2	Very high	18 Å²	18	18.4 Å²	18.4	15%	0.149	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	164.4	174.8	0	0	0	0	0	112.3	L606 E607 E609	A575-L606 WeakPolarHBondContact O-CA 3.4Å; A575-L606 WeakPolarHBondContact O-CD2 3.13Å; A575-E607 HydrophobicContact CB-CG 3.97Å; A575-E607 PolarHBondContact N-O 3.31Å; A575-E607 PolarHBondContact O-N 3.49Å; A575-E609 VanDerWaalsContact CB-CD 3.47Å; A575-E609 HydrophobicContact CB-CG 3.9Å
576	V	97.4	Very high	95.9	Very high	8 Å²	8	21.9 Å²	21.9	5%	0.048	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	123.1	172.5	179.2	0	0	0	0	109.3	V568 F579 T588 V604 L606	V568-V576 HydrophobicContact CB-CG2 4.14Å; V568-V576 HydrophobicContact CG1-CG2 4.03Å; V576-F579 HydrophobicContact CG1-CD2 4.09Å; V576-F579 HydrophobicContact CG1-CE2 3.71Å; V576-F579 HydrophobicContact CG1-CZ 3.99Å; V576-T588 WeakPolarHBondContact CB-O 3.49Å; V576-T588 WeakPolarHBondContact CG1-O 3.4Å; V576-V604 HydrophobicContact CB-CG1 4.42Å; V576-V604 HydrophobicContact CG1-CG1 3.59Å; V576-V604 HydrophobicContact CG2-CG1 4.05Å; V576-L606 HydrophobicContact CG2-CD2 4.05Å
577	H	95.8	Very high	95.6	Very high	24 Å²	24	23.7 Å²	23.7	11%	0.111	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-44.2	178.5	-177.8	-79.1	0	0	0	112.1	L605 E607	H577-L605 HydrophobicContact CB-CB 4.41Å; H577-L605 HydrophobicContact CB-CD2 4.43Å; H577-L605 HydrophobicContact CB-CG 4.34Å; H577-L605 PolarHBondContact N-O 3.44Å; H577-E607 HydrophobicContact CB-CB 4.42Å; H577-E607 HydrophobicContact CB-CG 4.28Å; H577-E607 IonicContact CD2-OE1 3.18Å; H577-E607 IonicContact CD2-OE2 4Å; H577-E607 PolarHBondContact CD2-OE2 2.91Å
578	T	96.5	Very high	95.3	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.012	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	141.4	-175	-52.7	0	0	0	0	111.8	P8 F580 V604 L605	P8-T578 HydrophobicContact CG-CG2 4.5Å; T578-F580 HydrophobicContact CG2-CD1 4.15Å; T578-F580 HydrophobicContact CG2-CE1 3.59Å; T578-F580 HydrophobicContact CG2-CE2 4.41Å; T578-F580 HydrophobicContact CG2-CZ 3.72Å; T578-V604 CarbonylContact O-C 3.6Å; T578-V604 WeakPolarHBondContact O-CA 3.39Å; T578-L605 PolarHBondContact N-O 3.11Å; T578-L605 PolarHBondContact O-N 3.25Å
579	F	97.4	Very high	95.2	Very high	5 Å²	5	25.5 Å²	25.5	2%	0.022	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	146	167.1	-71.6	-87.8	0	0	0	110.7	V568 V576 H583 T588 V591 G603 V604	V568-F579 HydrophobicContact CB-CE1 4.44Å; V568-F579 HydrophobicContact CB-CZ 4.3Å; V568-F579 HydrophobicContact CG2-CE1 3.81Å; V568-F579 HydrophobicContact CG2-CZ 4.12Å; V576-F579 HydrophobicContact CG1-CD2 4.09Å; V576-F579 HydrophobicContact CG1-CE2 3.71Å; V576-F579 HydrophobicContact CG1-CZ 3.99Å; F579-H583 WeakPolarHBondContact CB-NE2 3.49Å; F579-T588 VanDerWaalsContact CE2-O 3.29Å; F579-T588 WeakPolarHBondContact CE2-O 3.36Å; F579-V591 HydrophobicContact CB-CG1 3.87Å; F579-V591 HydrophobicContact CD1-CG1 3.86Å; F579-V591 HydrophobicContact CD2-CG1 3.38Å; F579-V591 HydrophobicContact CE1-CG1 4.2Å; F579-V591 HydrophobicContact CE2-CG1 3.73Å; F579-V591 HydrophobicContact CG-CG1 3.44Å; F579-V591 VanDerWaalsContact CG-CG1 3.44Å; F579-V591 HydrophobicContact CZ-CG1 4.14Å; F579-G603 CarbonylContact C-O 3.56Å; F579-G603 WeakPolarHBondContact CA-O 3.47Å; F579-V604 HydrophobicContact CD1-CG1 4.41Å; F579-V604 HydrophobicContact CD1-CG2 3.82Å; F579-V604 HydrophobicContact CE1-CG1 4.23Å; F579-V604 HydrophobicContact CE1-CG2 3.86Å
580	F	97.2	Very high	95.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	130.3	176.1	-56	-68.4	0	0	0	110.1	P8 T578 M602 G603 L605 L662 R665 M666 D669	P8-F580 HydrophobicContact CG-CZ 4.42Å; T578-F580 HydrophobicContact CG2-CD1 4.15Å; T578-F580 HydrophobicContact CG2-CE1 3.59Å; T578-F580 HydrophobicContact CG2-CE2 4.41Å; T578-F580 HydrophobicContact CG2-CZ 3.72Å; F580-M602 CarbonylContact O-C 3.4Å; F580-M602 VanDerWaalsContact O-CA 3.28Å; F580-M602 WeakPolarHBondContact O-CA 3.41Å; F580-M602 WeakPolarHBondContact O-CB 3.34Å; F580-G603 PolarHBondContact N-O 3.3Å; F580-G603 PolarHBondContact O-N 2.8Å; F580-L605 HydrophobicContact CE2-CB 3.99Å; F580-L605 HydrophobicContact CZ-CB 4.49Å; F580-L662 HydrophobicContact CD2-CD1 3.9Å; F580-L662 HydrophobicContact CE2-CD1 3.86Å; F580-R665 HydrophobicContact CB-CB 3.89Å; F580-R665 HydrophobicContact CB-CG 4.29Å; F580-R665 HydrophobicContact CD2-CB 4.09Å; F580-R665 HydrophobicContact CG-CB 3.94Å; F580-M666 HydrophobicContact CE1-CG 4.34Å; F580-M666 HydrophobicContact CE2-CG 3.65Å; F580-M666 HydrophobicContact CZ-CB 4.37Å; F580-M666 HydrophobicContact CZ-CG 3.5Å; F580-M666 VanDerWaalsContact CZ-CG 3.5Å; F580-D669 HydrophobicContact CD1-CB 3.93Å; F580-D669 HydrophobicContact CE1-CB 4.06Å
581	G	96	Very high	95.1	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.01	14%	0.141	C	C	.	.	S	Bend	trans	146.1	-167.2	-175.7	0	0	0	0	0	110.5	R748	G581-R748 VanDerWaalsContact O-CZ 3.29Å; G581-R748 PolarHBondContact O-NH1 2.83Å; G581-R748 PolarHBondContact O-NH2 2.64Å
582	N	96.2	Very high	95.2	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.016	14%	0.143	C	C	.	.	S	Bend	trans	-95.7	118.3	171.2	-65.9	-0.2	0	0	0	108.4	K524 G528 L593 T749	K524-N582 CarbonylContact O-C 3.55Å; K524-N582 WeakPolarHBondContact O-CA 3.22Å; K524-N582 WeakPolarHBondContact O-CB 3.31Å; G528-N582 PolarHBondContact O-ND2 2.98Å; N582-L593 VanDerWaalsContact O-CD2 3.26Å; N582-L593 WeakPolarHBondContact O-CD2 3.28Å; N582-T749 HydrophobicContact CB-CG2 4.1Å; N582-T749 WeakPolarHBondContact OD1-CG2 3.06Å
583	H	95.8	Very high	95.3	Very high	10 Å²	10	21.3 Å²	21.3	5%	0.046	12%	0.116	C	C	.	.	S	Bend	trans	-179.8	167	-178	56.6	-90.7	0	0	0	110.6	K524 Y525 F579 V585 V591 L593	K524-H583 PolarHBondContact O-N 3.01Å; Y525-H583 CarbonylContact O-C 3.5Å; Y525-H583 VanDerWaalsContact O-C 3.31Å; F579-H583 WeakPolarHBondContact CB-NE2 3.49Å; H583-V585 WeakPolarHBondContact NE2-CG2 3.43Å; H583-V591 HydrophobicContact CB-CB 3.97Å; H583-V591 HydrophobicContact CB-CG2 4.26Å; H583-V591 WeakPolarHBondContact CD2-CG1 3.39Å; H583-L593 HydrophobicContact CB-CD2 4.15Å; H583-L593 HydrophobicContact CB-CG 3.94Å
584	F	95.2	Very high	95.5	Very high	37 Å²	37	20.8 Å²	20.8	16%	0.162	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	134.6	163.2	177.6	-107.4	0	0	0	110.8	A17 L495 T498 Y525 V591 V592	A17-F584 HydrophobicContact CB-CE1 4.5Å; L495-F584 HydrophobicContact CD2-CD2 3.43Å; L495-F584 VanDerWaalsContact CD2-CD2 3.43Å; L495-F584 HydrophobicContact CD2-CE2 3.35Å; L495-F584 HydrophobicContact CD2-CG 4.47Å; L495-F584 HydrophobicContact CD2-CZ 4.34Å; T498-F584 HydrophobicContact CG2-CB 3.8Å; T498-F584 HydrophobicContact CG2-CG 4.37Å; Y525-F584 PolarHBondContact O-N 3.34Å; F584-V591 CarbonylContact O-C 3.34Å; F584-V591 VanDerWaalsContact O-CA 3.28Å; F584-V591 WeakPolarHBondContact O-CA 3.21Å; F584-V592 PolarHBondContact N-O 3.36Å; F584-V592 PolarHBondContact O-N 3.1Å
585	V	93.6	Very high	95.4	Very high	27 Å²	27	20.1 Å²	20.1	16%	0.164	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	114.9	179.1	-178	0	0	0	0	109.5	H583 S587 V591	H583-V585 WeakPolarHBondContact NE2-CG2 3.43Å; V585-S587 VanDerWaalsContact CG1-O 3.32Å; V585-S587 WeakPolarHBondContact CG1-O 3.21Å; V585-V591 HydrophobicContact CG2-CG1 4.22Å
586	R	90.8	Very high	95.3	Very high	106 Å²	106	19.6 Å²	19.6	40%	0.4	10%	0.102	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	-36.6	-179.5	-177.5	177.5	179.1	172.7	2.9	112.8	V590 V592	R586-V590 HydrophobicContact CB-CG1 4.48Å; R586-V590 PolarHBondContact N-O 2.9Å; R586-V592 HydrophobicContact CB-CG2 3.99Å
587	S	91.9	Very high	95.2	Very high	38 Å²	38	19.3 Å²	19.3	27%	0.266	10%	0.101	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	172.4	169.3	61.4	0	0	0	0	109.2	V585 D589 V590	V585-S587 VanDerWaalsContact CG1-O 3.32Å; V585-S587 WeakPolarHBondContact CG1-O 3.21Å; S587-D589 PolarHBondContact O-N 3.16Å; S587-D589 PolarHBondContact OG-OD1 3.03Å; S587-V590 PolarHBondContact N-O 3.12Å; S587-V590 PolarHBondContact O-N 3.06Å; S587-V590 VanDerWaalsContact O-O 3.1Å; S587-V590 VanDerWaalsContact OG-CB 3.24Å; S587-V590 WeakPolarHBondContact OG-CB 3.44Å; S587-V590 WeakPolarHBondContact OG-CG2 3.43Å; S587-V590 PolarHBondContact OG-N 2.71Å
588	T	91.5	Very high	95.2	Very high	80 Å²	80	18.4 Å²	18.4	49%	0.491	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-26.4	179.3	49.6	0	0	0	0	113.8	V576 F579	V576-T588 WeakPolarHBondContact CB-O 3.49Å; V576-T588 WeakPolarHBondContact CG1-O 3.4Å; F579-T588 VanDerWaalsContact CE2-O 3.29Å; F579-T588 WeakPolarHBondContact CE2-O 3.36Å
589	D	94.3	Very high	95.1	Very high	32 Å²	32	19.1 Å²	19.1	17%	0.171	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-0.7	-177.7	71	-35.5	0	0	0	114.8	R567 V568 S587	R567-D589 WeakPolarHBondContact CA-O 3.34Å; R567-D589 WeakPolarHBondContact CG-O 3.47Å; R567-D589 IonicContact CZ-OD2 2.61Å; R567-D589 IonicContact NE-OD2 2.78Å; R567-D589 PolarHBondContact NE-OD2 3.34Å; R567-D589 IonicContact NH2-OD1 3.64Å; R567-D589 IonicContact NH2-OD2 3.86Å; R567-D589 PolarHBondContact NH2-OD2 2.96Å; V568-D589 PolarHBondContact N-O 2.99Å; V568-D589 VanDerWaalsContact N-O 3.08Å; S587-D589 PolarHBondContact O-N 3.16Å; S587-D589 PolarHBondContact OG-OD1 3.03Å
590	V	97	Very high	95	Very high	16 Å²	16	19.7 Å²	19.7	10%	0.097	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	127.4	-177	-177.6	0	0	0	0	112	V565 L566 R567 R586 S587	V565-V590 HydrophobicContact CG1-CG1 3.49Å; V565-V590 VanDerWaalsContact CG1-CG1 3.49Å; L566-V590 WeakPolarHBondContact O-CA 3.48Å; R567-V590 HydrophobicContact CB-CG2 4.03Å; R567-V590 HydrophobicContact CG-CG2 3.7Å; R586-V590 HydrophobicContact CB-CG1 4.48Å; R586-V590 PolarHBondContact N-O 2.9Å; S587-V590 PolarHBondContact N-O 3.12Å; S587-V590 PolarHBondContact O-N 3.06Å; S587-V590 VanDerWaalsContact O-O 3.1Å; S587-V590 VanDerWaalsContact OG-CB 3.24Å; S587-V590 WeakPolarHBondContact OG-CB 3.44Å; S587-V590 WeakPolarHBondContact OG-CG2 3.43Å; S587-V590 PolarHBondContact OG-N 2.71Å
591	V	97.1	Very high	94.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	147.4	169.3	-56.6	0	0	0	0	111.3	L566 F579 H583 F584 V585 L593 M602	L566-V591 HydrophobicContact CB-CG2 3.77Å; L566-V591 HydrophobicContact CD2-CG2 4.15Å; L566-V591 HydrophobicContact CG-CG2 4.31Å; L566-V591 PolarHBondContact N-O 3.02Å; L566-V591 PolarHBondContact O-N 3.42Å; F579-V591 HydrophobicContact CB-CG1 3.87Å; F579-V591 HydrophobicContact CD1-CG1 3.86Å; F579-V591 HydrophobicContact CD2-CG1 3.38Å; F579-V591 HydrophobicContact CE1-CG1 4.2Å; F579-V591 HydrophobicContact CE2-CG1 3.73Å; F579-V591 HydrophobicContact CG-CG1 3.44Å; F579-V591 VanDerWaalsContact CG-CG1 3.44Å; F579-V591 HydrophobicContact CZ-CG1 4.14Å; H583-V591 HydrophobicContact CB-CB 3.97Å; H583-V591 HydrophobicContact CB-CG2 4.26Å; H583-V591 WeakPolarHBondContact CD2-CG1 3.39Å; F584-V591 CarbonylContact O-C 3.34Å; F584-V591 VanDerWaalsContact O-CA 3.28Å; F584-V591 WeakPolarHBondContact O-CA 3.21Å; V585-V591 HydrophobicContact CG2-CG1 4.22Å; V591-L593 HydrophobicContact CG2-CD1 4.14Å; V591-M602 HydrophobicContact CG2-SD 4.41Å
592	V	97	Very high	94.9	Very high	13 Å²	13	19.9 Å²	19.9	8%	0.079	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	139.1	177.4	-179.8	0	0	0	0	108.2	T498 F584 R586	T498-V592 HydrophobicContact CG2-CB 4.38Å; T498-V592 HydrophobicContact CG2-CG1 3.85Å; F584-V592 PolarHBondContact N-O 3.36Å; F584-V592 PolarHBondContact O-N 3.1Å; R586-V592 HydrophobicContact CB-CG2 3.99Å
593	L	95.3	Very high	95	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.016	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	127.8	172.8	-48.3	93.5	0	0	0	108.1	A564 L566 N582 H583 V591 N595 M602	A564-L593 WeakPolarHBondContact CA-O 3.46Å; A564-L593 HydrophobicContact CB-CB 4.38Å; A564-L593 WeakPolarHBondContact CB-O 3.47Å; A564-L593 PolarHBondContact N-O 3.15Å; A564-L593 PolarHBondContact O-N 3.27Å; A564-L593 VanDerWaalsContact O-O 3.07Å; L566-L593 HydrophobicContact CB-CD1 4.38Å; N582-L593 VanDerWaalsContact O-CD2 3.26Å; N582-L593 WeakPolarHBondContact O-CD2 3.28Å; H583-L593 HydrophobicContact CB-CD2 4.15Å; H583-L593 HydrophobicContact CB-CG 3.94Å; V591-L593 HydrophobicContact CG2-CD1 4.14Å; L593-N595 VanDerWaalsContact C-N 3.25Å; L593-N595 WeakPolarHBondContact CB-O 3.45Å; L593-N595 PolarHBondContact O-N 2.94Å; L593-M602 HydrophobicContact CD1-CE 4.07Å; L593-M602 HydrophobicContact CD2-CE 3.39Å; L593-M602 HydrophobicContact CG-CE 4.37Å
594	A	95.9	Very high	95.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	-34.1	177.6	0	0	0	0	0	111.4	V502 A503 T526 F562 E563	V502-A594 WeakPolarHBondContact O-CB 3.3Å; A503-A594 HydrophobicContact CB-CB 3.85Å; T526-A594 WeakPolarHBondContact O-CB 3.4Å; T526-A594 PolarHBondContact O-N 3.06Å; F562-A594 CarbonylContact C-O 3.53Å; F562-A594 WeakPolarHBondContact CA-O 3.28Å; E563-A594 PolarHBondContact N-O 2.73Å
595	N	94.2	Very high	95.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	163.4	166.9	74.5	6.5	0	0	0	112.7	A503 D505 G527 I560 G561 L593	A503-N595 HydrophobicContact CB-CB 3.63Å; A503-N595 WeakPolarHBondContact CB-ND2 3.48Å; D505-N595 PolarHBondContact OD1-ND2 3.21Å; G527-N595 PolarHBondContact O-OD1 3.47Å; I560-N595 HydrophobicContact CD1-CB 4.04Å; I560-N595 HydrophobicContact CG1-CB 4.18Å; G561-N595 CarbonylContact O-C 3.5Å; G561-N595 WeakPolarHBondContact O-CA 3.44Å; L593-N595 VanDerWaalsContact C-N 3.25Å; L593-N595 WeakPolarHBondContact CB-O 3.45Å; L593-N595 PolarHBondContact O-N 2.94Å
596	V	96.5	Very high	95.5	Very high	6 Å²	6	16.4 Å²	16.4	4%	0.036	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	141.7	171.8	67.7	0	0	0	0	109.6	Y232 I560 G561 A564 L623	Y232-V596 HydrophobicContact CD1-CG1 4.39Å; Y232-V596 HydrophobicContact CD2-CG1 4.36Å; Y232-V596 HydrophobicContact CG-CG1 4.19Å; Y232-V596 HydrophobicContact CG-CG2 4.21Å; I560-V596 WeakPolarHBondContact CA-O 3.32Å; G561-V596 PolarHBondContact N-O 3.3Å; G561-V596 PolarHBondContact O-N 3.42Å; A564-V596 HydrophobicContact CB-CB 4.07Å; A564-V596 HydrophobicContact CB-CG1 3.88Å; V596-L623 HydrophobicContact CG1-CD2 4.23Å; V596-L623 HydrophobicContact CG2-CD1 4.48Å; V596-L623 HydrophobicContact CG2-CD2 4.25Å
597	N	95.2	Very high	95.7	Very high	3 Å²	3	13.6 Å²	13.6	2%	0.016	8%	0.08	C	C	.	.			trans	-140.7	155.9	-172.8	65.1	72	0	0	0	111.5	D599 S600	N597-D599 PolarHBondContact O-N 3.48Å; N597-D599 PolarHBondContact OD1-N 3.45Å; N597-D599 VanDerWaalsContact OD1-N 3.14Å; N597-S600 PolarHBondContact OD1-N 3.45Å
598	P	95	Very high	96	Very high	5 Å²	5	12.4 Å²	12.4	3%	0.032	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-1	-176.6	29.3	-38.3	0	0	0	114.3	H230 Y232 D234 R558 K559	H230-P598 PolarHBondContact CE1-O 3.2Å; H230-P598 PolarHBondContact NE2-O 3.3Å; Y232-P598 WeakPolarHBondContact O-CA 3.12Å; Y232-P598 WeakPolarHBondContact O-CB 3.47Å; D234-P598 WeakPolarHBondContact OD2-CB 3.4Å; R558-P598 HydrophobicContact CB-CG 4.15Å; K559-P598 WeakPolarHBondContact O-CD 3.3Å
599	D	93.9	Very high	96	Very high	17 Å²	17	14.3 Å²	14.3	9%	0.091	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	0.4	-176	-44.9	-44.5	0	0	0	112.4	R554 R558 N597 P751	R554-D599 IonicContact CZ-OD1 3.93Å; R554-D599 VanDerWaalsContact CZ-OD1 3.31Å; R554-D599 IonicContact NE-OD1 3.13Å; R554-D599 PolarHBondContact NE-OD1 3.12Å; R554-D599 IonicContact NE-OD2 2.83Å; R554-D599 IonicContact NH2-OD1 3.19Å; R554-D599 PolarHBondContact NH2-OD1 2.84Å; R558-D599 WeakPolarHBondContact CD-OD2 3.22Å; R558-D599 IonicContact CZ-OD2 3.3Å; R558-D599 IonicContact NE-OD2 2.99Å; R558-D599 IonicContact NH1-OD2 3.72Å; R558-D599 PolarHBondContact NH1-OD2 3.37Å; N597-D599 PolarHBondContact O-N 3.48Å; N597-D599 PolarHBondContact OD1-N 3.45Å; N597-D599 VanDerWaalsContact OD1-N 3.14Å; D599-P751 WeakPolarHBondContact O-CD 2.91Å; D599-P751 WeakPolarHBondContact O-CG 3.31Å
600	S	94.6	Very high	95.8	Very high	17 Å²	17	18.1 Å²	18.1	12%	0.119	9%	0.094	C	C	.	.			trans	-118.8	134.9	-176.7	-173.6	0	0	0	0	112.9	H230 N597	H230-S600 PolarHBondContact CD2-O 2.96Å; N597-S600 PolarHBondContact OD1-N 3.45Å
601	A	96.3	Very high	95.4	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.008	12%	0.12	C	C	.	.			trans	-127.9	158.1	175.5	0	0	0	0	0	111.3	V229 H230 T749 P751	V229-A601 CarbonylContact O-C 3.31Å; V229-A601 VanDerWaalsContact O-CA 3.32Å; V229-A601 WeakPolarHBondContact O-CA 3.24Å; V229-A601 WeakPolarHBondContact O-CB 3.31Å; H230-A601 HydrophobicContact CB-CB 4.08Å; A601-T749 PolarHBondContact N-O 3.35Å; A601-T749 CarbonylContact O-C 3.56Å; A601-T749 WeakPolarHBondContact O-CA 3.5Å; A601-T749 VanDerWaalsContact O-O 3.12Å; A601-P751 HydrophobicContact CB-CB 4.35Å; A601-P751 HydrophobicContact CB-CG 4.37Å
602	M	96.4	Very high	94.9	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.015	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	147.3	-172.9	-57.3	176.5	-155.7	0	0	111.1	I228 V229 P231 L566 F580 V591 L593	I228-M602 WeakPolarHBondContact CA-O 3.48Å; V229-M602 PolarHBondContact N-O 3.12Å; V229-M602 PolarHBondContact O-N 3.1Å; P231-M602 HydrophobicContact CG-CE 3.98Å; L566-M602 HydrophobicContact CD2-CE 4.21Å; L566-M602 HydrophobicContact CD2-SD 3.52Å; L566-M602 VanDerWaalsContact CD2-SD 3.52Å; F580-M602 CarbonylContact O-C 3.4Å; F580-M602 VanDerWaalsContact O-CA 3.28Å; F580-M602 WeakPolarHBondContact O-CA 3.41Å; F580-M602 WeakPolarHBondContact O-CB 3.34Å; V591-M602 HydrophobicContact CG2-SD 4.41Å; L593-M602 HydrophobicContact CD1-CE 4.07Å; L593-M602 HydrophobicContact CD2-CE 3.39Å; L593-M602 HydrophobicContact CG-CE 4.37Å
603	G	98	Very high	94.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	145.9	166.3	0	0	0	0	0	111.4	L227 F579 F580	L227-G603 CarbonylContact O-C 3.57Å; L227-G603 WeakPolarHBondContact O-CA 3.36Å; F579-G603 CarbonylContact C-O 3.56Å; F579-G603 WeakPolarHBondContact CA-O 3.47Å; F580-G603 PolarHBondContact N-O 3.3Å; F580-G603 PolarHBondContact O-N 2.8Å
604	V	98.4	Very high	94	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	112.7	175.3	-171.5	0	0	0	0	108.2	G226 L227 V229 V568 V576 T578 F579 L606	G226-V604 CarbonylContact C-O 3.37Å; G226-V604 WeakPolarHBondContact CA-O 3.35Å; L227-V604 HydrophobicContact CB-CB 4.16Å; L227-V604 PolarHBondContact N-O 2.89Å; L227-V604 PolarHBondContact O-N 3.47Å; V229-V604 HydrophobicContact CG2-CG2 3.74Å; V568-V604 HydrophobicContact CG2-CG2 4.36Å; V576-V604 HydrophobicContact CB-CG1 4.42Å; V576-V604 HydrophobicContact CG1-CG1 3.59Å; V576-V604 HydrophobicContact CG2-CG1 4.05Å; T578-V604 CarbonylContact O-C 3.6Å; T578-V604 WeakPolarHBondContact O-CA 3.39Å; F579-V604 HydrophobicContact CD1-CG1 4.41Å; F579-V604 HydrophobicContact CD1-CG2 3.82Å; F579-V604 HydrophobicContact CE1-CG1 4.23Å; F579-V604 HydrophobicContact CE1-CG2 3.86Å; V604-L606 HydrophobicContact CG1-CD2 4.24Å
605	L	98.2	Very high	93.8	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	129	171	-168	62.9	0	0	0	109	Y2 P8 H577 T578 F580 L662 M666	Y2-L605 HydrophobicContact CE2-CD1 4.43Å; Y2-L605 HydrophobicContact CE2-CD2 4.47Å; P8-L605 HydrophobicContact CG-CD2 4.48Å; H577-L605 HydrophobicContact CB-CB 4.41Å; H577-L605 HydrophobicContact CB-CD2 4.43Å; H577-L605 HydrophobicContact CB-CG 4.34Å; H577-L605 PolarHBondContact N-O 3.44Å; T578-L605 PolarHBondContact N-O 3.11Å; T578-L605 PolarHBondContact O-N 3.25Å; F580-L605 HydrophobicContact CE2-CB 3.99Å; F580-L605 HydrophobicContact CZ-CB 4.49Å; L605-L662 HydrophobicContact CD1-CD2 4.1Å; L605-M666 HydrophobicContact CD1-CE 4.24Å; L605-M666 HydrophobicContact CD1-SD 4.04Å; L605-M666 HydrophobicContact CD2-CE 4.14Å
606	L	98	Very high	93.8	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.016	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	153.2	178.4	-64	173.3	0	0	0	110.7	L225 L227 A575 V576 V604 F619	L225-L606 HydrophobicContact CD2-CB 3.92Å; L225-L606 HydrophobicContact CG-CB 3.93Å; L225-L606 HydrophobicContact CG-CD1 4.23Å; L225-L606 PolarHBondContact O-N 3.26Å; L227-L606 HydrophobicContact CD1-CD1 4.28Å; L227-L606 HydrophobicContact CD2-CD1 4.21Å; L227-L606 HydrophobicContact CG-CD1 3.91Å; L227-L606 HydrophobicContact CG-CG 4.48Å; A575-L606 WeakPolarHBondContact O-CA 3.4Å; A575-L606 WeakPolarHBondContact O-CD2 3.13Å; V576-L606 HydrophobicContact CG2-CD2 4.05Å; V604-L606 HydrophobicContact CG1-CD2 4.24Å; L606-F619 HydrophobicContact CD1-CD1 3.93Å; L606-F619 HydrophobicContact CD1-CE1 3.49Å; L606-F619 VanDerWaalsContact CD1-CE1 3.49Å; L606-F619 HydrophobicContact CD1-CZ 3.89Å; L606-F619 HydrophobicContact CD2-CD1 4.47Å; L606-F619 HydrophobicContact CD2-CE1 4.33Å
607	E	95.8	Very high	93.8	Very high	47 Å²	47	43.2 Å²	43.2	22%	0.22	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	160.9	168.9	64.3	-169.7	146.2	0	0	111.1	K10 F574 A575 H577 E609	K10-E607 IonicContact NZ-OE1 2.67Å; K10-E607 PolarHBondContact NZ-OE1 3.21Å; K10-E607 IonicContact NZ-OE2 3.78Å; F574-E607 WeakPolarHBondContact CA-O 3.37Å; A575-E607 HydrophobicContact CB-CG 3.97Å; A575-E607 PolarHBondContact N-O 3.31Å; A575-E607 PolarHBondContact O-N 3.49Å; H577-E607 HydrophobicContact CB-CB 4.42Å; H577-E607 HydrophobicContact CB-CG 4.28Å; H577-E607 IonicContact CD2-OE1 3.18Å; H577-E607 IonicContact CD2-OE2 4Å; H577-E607 PolarHBondContact CD2-OE2 2.91Å; E607-E609 HydrophobicContact CG-CG 4.39Å
608	I	96.6	Very high	93.8	Very high	14 Å²	14	43.1 Å²	43.1	7%	0.072	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	114.9	173.9	-59.9	172.8	0	0	0	106.3	P212 A215 L218 L225 G573 F574 D610 I612	P212-I608 HydrophobicContact CB-CD1 3.95Å; P212-I608 VanDerWaalsContact O-CD1 3.29Å; P212-I608 WeakPolarHBondContact O-CD1 3.46Å; A215-I608 HydrophobicContact CB-CB 4.24Å; A215-I608 HydrophobicContact CB-CG2 4.3Å; L218-I608 HydrophobicContact CB-CD1 4.04Å; L218-I608 HydrophobicContact CD2-CD1 4.07Å; L218-I608 HydrophobicContact CD2-CG1 4.22Å; L225-I608 HydrophobicContact CD2-CD1 4.29Å; L225-I608 HydrophobicContact CD2-CG1 4.06Å; G573-I608 CarbonylContact O-C 3.52Å; G573-I608 VanDerWaalsContact O-CA 3.3Å; G573-I608 WeakPolarHBondContact O-CA 3.39Å; F574-I608 HydrophobicContact CD1-CG1 3.8Å; F574-I608 HydrophobicContact CE1-CD1 3.95Å; F574-I608 HydrophobicContact CE1-CG1 3.67Å; I608-D610 WeakPolarHBondContact CG2-O 3.37Å; I608-I612 HydrophobicContact CG2-CD1 3.82Å
609	E	92.1	Very high	93.9	Very high	119 Å²	119	42.9 Å²	42.9	56%	0.556	22%	0.223	S	C	*	.			trans	-89.1	-47.7	180	-63	-174.9	144.7	0	0	110.3	G573 A575 E607	G573-E609 PolarHBondContact O-N 3.1Å; A575-E609 VanDerWaalsContact CB-CD 3.47Å; A575-E609 HydrophobicContact CB-CG 3.9Å; E607-E609 HydrophobicContact CG-CG 4.39Å
610	D	90.7	Very high	94.1	Very high	113 Å²	113	42 Å²	42	60%	0.604	22%	0.219	S	C	*	.	S	Bend	trans	-121	158.1	179.4	-65.2	-54.5	0	0	0	111.8	G573 I608	G573-D610 PolarHBondContact O-N 3.12Å; I608-D610 WeakPolarHBondContact CG2-O 3.37Å
611	S	87.3	Confident	94.3	Very high	90 Å²	90	41.4 Å²	41.4	63%	0.629	21%	0.214	S	C	*	.			trans	-71.1	143.2	174	-59.3	0	0	0	0	111.4
612	I	87.6	Confident	94.4	Very high	15 Å²	15	41.6 Å²	41.6	8%	0.077	22%	0.216	C	C	.	.			trans	-109.6	108.9	-172.6	-59.7	111.7	0	0	0	110.7	S213 A572 F574 I608 C614 T643	S213-I612 WeakPolarHBondContact O-CD1 3.31Å; S213-I612 PolarHBondContact O-N 2.74Å; A572-I612 WeakPolarHBondContact O-CG1 3.29Å; F574-I612 HydrophobicContact CD2-CD1 3.91Å; F574-I612 HydrophobicContact CD2-CG1 4.16Å; F574-I612 HydrophobicContact CE1-CD1 4.23Å; F574-I612 HydrophobicContact CE2-CD1 3.33Å; F574-I612 HydrophobicContact CE2-CG1 3.7Å; F574-I612 HydrophobicContact CZ-CD1 3.53Å; F574-I612 HydrophobicContact CZ-CG1 4.36Å; I608-I612 HydrophobicContact CG2-CD1 3.82Å; I612-C614 VanDerWaalsContact C-N 3.26Å; I612-C614 HydrophobicContact CG2-CB 3.9Å; I612-C614 PolarHBondContact O-N 3.43Å; I612-T643 HydrophobicContact CG2-CG2 4.22Å
613	D	85.4	Confident	94.5	Very high	166 Å²	166	41.6 Å²	41.6	89%	0.888	22%	0.216	S	C	*	.			trans	-78.5	-7.1	174.8	-63.9	-32.3	0	0	0	113.7
614	C	87.6	Confident	94.4	Very high	82 Å²	82	42.9 Å²	42.9	55%	0.554	22%	0.223	S	C	*	.	S	Bend	trans	-81.1	139.5	179.5	-67.3	0	0	0	0	111.3	I612 V616 T643	I612-C614 VanDerWaalsContact C-N 3.26Å; I612-C614 HydrophobicContact CG2-CB 3.9Å; I612-C614 PolarHBondContact O-N 3.43Å; C614-V616 PolarHBondContact O-N 2.65Å; C614-T643 WeakPolarHBondContact O-CG2 3.39Å; C614-T643 PolarHBondContact O-OG1 2.97Å
615	R	91.7	Very high	94.4	Very high	197 Å²	197	43 Å²	43	74%	0.743	22%	0.224	S	C	*	.	S	Bend	trans	-69.2	-10.1	176.4	-63.6	-175.1	-178.6	179.3	-0.2	115	P189 P642 T643	P189-R615 HydrophobicContact CG-CB 4.36Å; R615-P642 WeakPolarHBondContact O-CA 3.48Å; R615-T643 VanDerWaalsContact CA-OG1 3.29Å; R615-T643 WeakPolarHBondContact CA-OG1 3.47Å; R615-T643 PolarHBondContact O-N 3.29Å; R615-T643 VanDerWaalsContact O-N 3.08Å; R615-T643 PolarHBondContact O-OG1 2.91Å
616	V	94.6	Very high	94.3	Very high	14 Å²	14	43.1 Å²	43.1	9%	0.085	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	151.9	179.6	-64.7	0	0	0	0	110.4	L188 P189 Y192 C614 L641	L188-V616 HydrophobicContact CD2-CG1 4.04Å; P189-V616 HydrophobicContact CG-CG1 3.6Å; Y192-V616 HydrophobicContact CD2-CG1 3.89Å; Y192-V616 HydrophobicContact CD2-CG2 4.03Å; Y192-V616 HydrophobicContact CE2-CG1 4.24Å; Y192-V616 HydrophobicContact CE2-CG2 3.61Å; C614-V616 PolarHBondContact O-N 2.65Å; V616-L641 CarbonylContact C-O 3.55Å; V616-L641 WeakPolarHBondContact CA-O 3.09Å
617	A	95.6	Very high	94.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	145.2	169.3	0	0	0	0	0	109.5	V211 F574 F619 C640 L641 T643	V211-A617 HydrophobicContact CG2-CB 3.82Å; F574-A617 HydrophobicContact CD2-CB 4.1Å; F574-A617 HydrophobicContact CE2-CB 3.41Å; F574-A617 VanDerWaalsContact CE2-CB 3.41Å; F574-A617 HydrophobicContact CZ-CB 3.92Å; A617-F619 HydrophobicContact CB-CE2 4.12Å; A617-F619 HydrophobicContact CB-CZ 4.28Å; A617-C640 WeakPolarHBondContact O-CA 3.25Å; A617-L641 PolarHBondContact N-O 3.24Å; A617-L641 PolarHBondContact O-N 3.37Å; A617-T643 HydrophobicContact CB-CG2 4.06Å
618	C	96.5	Very high	94	Very high	1 Å²	1	42 Å²	42	1%	0.007	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	141.4	178.8	-66.8	0	0	0	0	110.8	N271 L272 C570 S571 I639 C640	N271-C618 WeakPolarHBondContact ND2-CB 3.28Å; N271-C618 PolarHBondContact ND2-SG 3.35Å; L272-C618 HydrophobicContact CD1-CB 3.65Å; L272-C618 HydrophobicContact CG-CB 4.41Å; C570-C618 CarbonylContact C-O 3.55Å; S571-C618 PolarHBondContact N-O 2.8Å; S571-C618 PolarHBondContact OG-N 2.67Å; S571-C618 PolarHBondContact OG-O 3.48Å; C618-I639 CarbonylContact C-O 3.5Å; C618-I639 VanDerWaalsContact CA-O 3.3Å; C618-I639 WeakPolarHBondContact CA-O 3.43Å; C618-C640 PolarHBondContact SG-SG 3.42Å
619	F	97.5	Very high	93.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	130.6	175.2	-54.8	-85	0	0	0	108.8	V211 L227 R569 C570 F574 L606 A617 T638 I639 L641	V211-F619 HydrophobicContact CG1-CE2 4.44Å; L227-F619 HydrophobicContact CD1-CB 3.92Å; L227-F619 HydrophobicContact CD1-CD1 4.32Å; L227-F619 HydrophobicContact CD1-CG 4.18Å; L227-F619 HydrophobicContact CD2-CB 4.49Å; L227-F619 HydrophobicContact CD2-CD2 4.42Å; L227-F619 HydrophobicContact CD2-CG 4.34Å; R569-F619 CarbonylContact O-C 3.45Å; R569-F619 WeakPolarHBondContact O-CA 3.36Å; C570-F619 HydrophobicContact CB-CD1 3.81Å; C570-F619 HydrophobicContact CB-CE1 3.84Å; F574-F619 HydrophobicContact CB-CE1 3.99Å; F574-F619 HydrophobicContact CB-CZ 4.45Å; F574-F619 HydrophobicContact CD1-CE1 4.18Å; F574-F619 AromaticContact CD1-CZ 3.91Å; F574-F619 HydrophobicContact CD1-CZ 3.91Å; F574-F619 HydrophobicContact CD2-CZ 4.3Å; F574-F619 HydrophobicContact CE1-CZ 4.18Å; F574-F619 HydrophobicContact CG-CE1 4.01Å; F574-F619 AromaticContact CG-CZ 3.97Å; F574-F619 HydrophobicContact CG-CZ 3.97Å; F574-F619 HydrophobicContact CZ-CZ 4.49Å; L606-F619 HydrophobicContact CD1-CD1 3.93Å; L606-F619 HydrophobicContact CD1-CE1 3.49Å; L606-F619 VanDerWaalsContact CD1-CE1 3.49Å; L606-F619 HydrophobicContact CD1-CZ 3.89Å; L606-F619 HydrophobicContact CD2-CD1 4.47Å; L606-F619 HydrophobicContact CD2-CE1 4.33Å; A617-F619 HydrophobicContact CB-CE2 4.12Å; A617-F619 HydrophobicContact CB-CZ 4.28Å; F619-T638 WeakPolarHBondContact O-CA 3.48Å; F619-I639 HydrophobicContact CB-CG2 3.88Å; F619-I639 HydrophobicContact CD2-CG2 4.22Å; F619-I639 PolarHBondContact N-O 3.37Å; F619-I639 PolarHBondContact O-N 2.92Å; F619-L641 HydrophobicContact CD2-CD1 4.18Å; F619-L641 HydrophobicContact CE2-CD1 4.02Å
620	Q	98.1	Very high	93.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	113.5	-179.4	-175.4	177.5	90.2	0	0	110.8	V254 Y255 V568 R569 V636 H637 T638	V254-Q620 HydrophobicContact CG2-CB 4.13Å; V254-Q620 HydrophobicContact CG2-CG 4.37Å; Y255-Q620 PolarHBondContact O-NE2 3.37Å; V568-Q620 WeakPolarHBondContact CA-O 3.45Å; R569-Q620 PolarHBondContact N-O 3.26Å; R569-Q620 PolarHBondContact O-N 3.19Å; Q620-V636 VanDerWaalsContact CD-CG1 3.48Å; Q620-V636 HydrophobicContact CG-CG1 3.6Å; Q620-H637 CarbonylContact C-O 3.6Å; Q620-H637 VanDerWaalsContact CA-O 3.31Å; Q620-H637 WeakPolarHBondContact CA-O 3.4Å; Q620-T638 HydrophobicContact CB-CG2 4.29Å; Q620-T638 PolarHBondContact NE2-OG1 2.91Å
621	A	98.2	Very high	93.8	Very high	3 Å²	3	40.3 Å²	40.3	3%	0.025	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	126.5	168.2	0	0	0	0	0	109.1	V229 L566 V568 V636 H637	V229-A621 HydrophobicContact CG1-CB 3.85Å; L566-A621 HydrophobicContact CD1-CB 4.23Å; V568-A621 HydrophobicContact CG2-CB 4.36Å; A621-V636 WeakPolarHBondContact O-CA 3.17Å; A621-H637 HydrophobicContact CB-CB 4.44Å; A621-H637 PolarHBondContact N-O 3.12Å; A621-H637 PolarHBondContact O-N 3.08Å
622	A	98.2	Very high	94.2	Very high	6 Å²	6	37.1 Å²	37.1	5%	0.05	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	117.9	177.2	0	0	0	0	0	110.5	Y255 L566 R567 R635 V636	Y255-A622 HydrophobicContact CD2-CB 3.88Å; Y255-A622 HydrophobicContact CE2-CB 3.5Å; Y255-A622 VanDerWaalsContact CE2-CB 3.5Å; L566-A622 WeakPolarHBondContact CA-O 3.42Å; R567-A622 PolarHBondContact N-O 3.45Å; R567-A622 PolarHBondContact O-N 2.81Å; A622-R635 CarbonylContact C-O 3.57Å; A622-R635 WeakPolarHBondContact CA-O 3.36Å; A622-V636 HydrophobicContact CB-CG2 4.37Å
623	L	98.1	Very high	94.6	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	109.3	178.7	179.7	73.3	0	0	0	109.1	P231 Y232 A564 L566 V596 Y625 I634 R635	P231-L623 HydrophobicContact CB-CB 4.49Å; P231-L623 HydrophobicContact CB-CD2 4.3Å; Y232-L623 HydrophobicContact CD2-CD2 3.8Å; Y232-L623 HydrophobicContact CG-CD2 4.34Å; A564-L623 HydrophobicContact CB-CD1 4.22Å; L566-L623 HydrophobicContact CB-CD1 4.11Å; L566-L623 HydrophobicContact CD1-CB 4.27Å; V596-L623 HydrophobicContact CG1-CD2 4.23Å; V596-L623 HydrophobicContact CG2-CD1 4.48Å; V596-L623 HydrophobicContact CG2-CD2 4.25Å; L623-Y625 HydrophobicContact CD2-CD1 3.97Å; L623-Y625 HydrophobicContact CG-CD1 4.02Å; L623-I634 CarbonylContact O-C 3.54Å; L623-I634 WeakPolarHBondContact O-CA 2.96Å; L623-R635 HydrophobicContact CB-CB 4.46Å; L623-R635 PolarHBondContact N-O 2.79Å; L623-R635 PolarHBondContact O-N 3.24Å
624	L	97.2	Very high	95.2	Very high	28 Å²	28	29.8 Å²	29.8	15%	0.147	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	126.9	166.6	174.2	72.1	0	0	0	107.8	A310 Y314 A564 V565 R632 R633 I634	A310-L624 HydrophobicContact CB-CD1 4.44Å; Y314-L624 HydrophobicContact CD1-CD1 4.19Å; Y314-L624 HydrophobicContact CG-CD1 4.48Å; A564-L624 CarbonylContact C-O 3.5Å; A564-L624 WeakPolarHBondContact CA-O 3.24Å; V565-L624 PolarHBondContact N-O 3.35Å; V565-L624 PolarHBondContact O-N 3.24Å; L624-R632 HydrophobicContact CD1-CG 3.91Å; L624-R633 WeakPolarHBondContact CA-O 3.28Å; L624-I634 HydrophobicContact CD1-CD1 4.21Å; L624-I634 HydrophobicContact CD1-CG1 3.47Å; L624-I634 VanDerWaalsContact CD1-CG1 3.47Å
625	Y	96.8	Very high	95.6	Very high	3 Å²	3	26.6 Å²	26.6	1%	0.012	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	165.9	-178	73.4	-81.6	0	0	0	111.7	Y232 E307 L623 T627 R632 R633 R635	Y232-Y625 HydrophobicContact CD2-CE1 4.38Å; Y232-Y625 HydrophobicContact CE2-CD1 4.45Å; Y232-Y625 HydrophobicContact CE2-CD2 4.15Å; Y232-Y625 AromaticContact CE2-CE1 3.9Å; Y232-Y625 HydrophobicContact CE2-CE1 3.9Å; Y232-Y625 AromaticContact CE2-CE2 3.59Å; Y232-Y625 HydrophobicContact CE2-CE2 3.59Å; Y232-Y625 AromaticContact CE2-CZ 3.46Å; Y232-Y625 VanDerWaalsContact CE2-CZ 3.46Å; Y232-Y625 AromaticContact CZ-CE2 3.99Å; E307-Y625 PolarHBondContact OE1-OH 3.49Å; E307-Y625 PolarHBondContact OE2-OH 3.17Å; L623-Y625 HydrophobicContact CD2-CD1 3.97Å; L623-Y625 HydrophobicContact CG-CD1 4.02Å; Y625-T627 HydrophobicContact CE2-CG2 3.76Å; Y625-R632 WeakPolarHBondContact O-CD 3.21Å; Y625-R633 HydrophobicContact CD1-CB 4.15Å; Y625-R633 HydrophobicContact CE1-CB 3.52Å; Y625-R633 HydrophobicContact CE2-CB 4.03Å; Y625-R633 HydrophobicContact CE2-CG 4.3Å; Y625-R633 VanDerWaalsContact CZ-CB 3.43Å; Y625-R633 PolarHBondContact N-O 2.99Å; Y625-R633 PolarHBondContact O-N 3.41Å; Y625-R635 HydrophobicContact CE1-CB 4.31Å
626	T	96	Very high	95.9	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.012	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	129.7	173.8	-60.5	0	0	0	0	108.4	P319 G561 F562 E563 E631 R632	P319-T626 HydrophobicContact CB-CG2 3.72Å; P319-T626 HydrophobicContact CG-CG2 4.28Å; G561-T626 CarbonylContact C-O 2.98Å; G561-T626 WeakPolarHBondContact CA-O 3.34Å; F562-T626 PolarHBondContact N-O 2.8Å; F562-T626 PolarHBondContact O-N 3.38Å; E563-T626 PolarHBondContact OE2-OG1 3.38Å; T626-E631 CarbonylContact C-O 3.53Å; T626-E631 WeakPolarHBondContact CA-O 3.15Å; T626-R632 VanDerWaalsContact OG1-CD 3.27Å; T626-R632 WeakPolarHBondContact OG1-CD 3.16Å; T626-R632 PolarHBondContact OG1-NH1 2.88Å
627	T	95.2	Very high	96.1	Very high	15 Å²	15	16.8 Å²	16.8	9%	0.092	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	166.4	174.9	62.5	0	0	0	0	111	Y625 H629 G630 E631 R633	Y625-T627 HydrophobicContact CE2-CG2 3.76Å; T627-H629 PolarHBondContact O-N 3.45Å; T627-H629 VanDerWaalsContact O-N 3.1Å; T627-H629 PolarHBondContact OG1-N 3.46Å; T627-G630 PolarHBondContact O-N 2.95Å; T627-E631 HydrophobicContact CG2-CB 4.28Å; T627-E631 PolarHBondContact N-O 2.97Å; T627-E631 WeakPolarHBondContact OG1-CB 3.37Å; T627-E631 PolarHBondContact OG1-N 2.96Å; T627-E631 PolarHBondContact OG1-O 3.11Å; T627-R633 HydrophobicContact CG2-CG 3.54Å
628	S	93.6	Very high	96.2	Very high	11 Å²	11	16.9 Å²	16.9	8%	0.077	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-4.2	168.4	54.5	0	0	0	0	115	G356	G356-S628 CarbonylContact C-O 3.6Å; G356-S628 VanDerWaalsContact CA-O 3.23Å; G356-S628 WeakPolarHBondContact CA-O 3.38Å
629	H	92.3	Very high	96.1	Very high	112 Å²	112	17.2 Å²	17.2	52%	0.519	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115	28	178.8	-49.9	-66	0	0	0	111.8	G356 T627 E631	G356-H629 PolarHBondContact O-CE1 3.26Å; G356-H629 PolarHBondContact O-ND1 2.97Å; T627-H629 PolarHBondContact O-N 3.45Å; T627-H629 VanDerWaalsContact O-N 3.1Å; T627-H629 PolarHBondContact OG1-N 3.46Å; H629-E631 VanDerWaalsContact C-N 3.3Å; H629-E631 PolarHBondContact O-N 2.87Å
630	G	90.7	Very high	96.1	Very high	25 Å²	25	17.3 Å²	17.3	26%	0.258	9%	0.09	S	C	.	.	S	Bend	trans	69.7	13.2	175.7	0	0	0	0	0	116.4	P319 T627	P319-G630 WeakPolarHBondContact CB-O 3.26Å; P319-G630 WeakPolarHBondContact CG-O 3.39Å; T627-G630 PolarHBondContact O-N 2.95Å
631	E	92	Very high	96	Very high	75 Å²	75	17.4 Å²	17.4	35%	0.35	9%	0.09	S	C	.	.			trans	-96.7	129.3	179	-57.7	178.2	112.9	0	0	112.2	T626 T627 H629 R633	T626-E631 CarbonylContact C-O 3.53Å; T626-E631 WeakPolarHBondContact CA-O 3.15Å; T627-E631 HydrophobicContact CG2-CB 4.28Å; T627-E631 PolarHBondContact N-O 2.97Å; T627-E631 WeakPolarHBondContact OG1-CB 3.37Å; T627-E631 PolarHBondContact OG1-N 2.96Å; T627-E631 PolarHBondContact OG1-O 3.11Å; H629-E631 VanDerWaalsContact C-N 3.3Å; H629-E631 PolarHBondContact O-N 2.87Å; E631-R633 HydrophobicContact CB-CG 4.47Å; E631-R633 IonicContact OE1-CZ 3.28Å; E631-R633 IonicContact OE1-NE 2.99Å; E631-R633 IonicContact OE1-NH2 2.76Å; E631-R633 PolarHBondContact OE1-NH2 2.85Å; E631-R633 IonicContact OE2-CZ 2.64Å; E631-R633 IonicContact OE2-NE 3.73Å; E631-R633 PolarHBondContact OE2-NE 3.25Å; E631-R633 IonicContact OE2-NH2 3.78Å; E631-R633 PolarHBondContact OE2-NH2 3.42Å
632	R	95.4	Very high	95.9	Very high	22 Å²	22	17.9 Å²	17.9	8%	0.083	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	126.2	169.3	-158.3	73.4	171.8	151.3	-1.2	109.9	A310 M315 E563 L624 Y625 T626	A310-R632 HydrophobicContact CB-CB 4.05Å; A310-R632 HydrophobicContact CB-CG 4Å; A310-R632 WeakPolarHBondContact CB-O 3.3Å; A310-R632 PolarHBondContact N-O 3.35Å; M315-R632 HydrophobicContact CE-CB 3.52Å; M315-R632 HydrophobicContact CG-CB 4.02Å; M315-R632 HydrophobicContact CG-CG 4.2Å; E563-R632 PolarHBondContact O-NH1 3.09Å; E563-R632 PolarHBondContact O-NH2 3.16Å; L624-R632 HydrophobicContact CD1-CG 3.91Å; Y625-R632 WeakPolarHBondContact O-CD 3.21Å; T626-R632 VanDerWaalsContact OG1-CD 3.27Å; T626-R632 WeakPolarHBondContact OG1-CD 3.16Å; T626-R632 PolarHBondContact OG1-NH1 2.88Å
633	R	95.9	Very high	95.8	Very high	27 Å²	27	18.8 Å²	18.8	10%	0.102	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	151.6	-176	-61.4	-63.6	-170.4	130	-21.5	111	E307 F308 L624 Y625 T627 E631	E307-R633 HydrophobicContact CG-CB 4.3Å; E307-R633 IonicContact OE1-NH1 2.65Å; E307-R633 PolarHBondContact OE1-NH1 2.76Å; F308-R633 CarbonylContact O-C 3.24Å; F308-R633 VanDerWaalsContact O-CA 3.3Å; F308-R633 WeakPolarHBondContact O-CA 3.47Å; L624-R633 WeakPolarHBondContact CA-O 3.28Å; Y625-R633 HydrophobicContact CD1-CB 4.15Å; Y625-R633 HydrophobicContact CE1-CB 3.52Å; Y625-R633 HydrophobicContact CE2-CB 4.03Å; Y625-R633 HydrophobicContact CE2-CG 4.3Å; Y625-R633 VanDerWaalsContact CZ-CB 3.43Å; Y625-R633 PolarHBondContact N-O 2.99Å; Y625-R633 PolarHBondContact O-N 3.41Å; T627-R633 HydrophobicContact CG2-CG 3.54Å; E631-R633 HydrophobicContact CB-CG 4.47Å; E631-R633 IonicContact OE1-CZ 3.28Å; E631-R633 IonicContact OE1-NE 2.99Å; E631-R633 IonicContact OE1-NH2 2.76Å; E631-R633 PolarHBondContact OE1-NH2 2.85Å; E631-R633 IonicContact OE2-CZ 2.64Å; E631-R633 IonicContact OE2-NE 3.73Å; E631-R633 PolarHBondContact OE2-NE 3.25Å; E631-R633 IonicContact OE2-NH2 3.78Å; E631-R633 PolarHBondContact OE2-NH2 3.42Å
634	I	97.6	Very high	95.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	109	173.6	-59.9	158.6	0	0	0	109	I246 Y255 E307 F308 A310 Y314 L623 L624 V636	I246-I634 HydrophobicContact CD1-CD1 3.71Å; Y255-I634 HydrophobicContact CE1-CD1 4.32Å; Y255-I634 HydrophobicContact CE1-CG2 4Å; Y255-I634 HydrophobicContact CE2-CG2 4.27Å; E307-I634 CarbonylContact C-O 3.51Å; E307-I634 VanDerWaalsContact CA-O 3.3Å; E307-I634 WeakPolarHBondContact CA-O 3.36Å; F308-I634 HydrophobicContact CB-CB 4.37Å; F308-I634 HydrophobicContact CD2-CB 4.47Å; F308-I634 PolarHBondContact N-O 3.39Å; F308-I634 PolarHBondContact O-N 3.14Å; A310-I634 HydrophobicContact CB-CD1 3.81Å; A310-I634 HydrophobicContact CB-CG1 3.95Å; Y314-I634 HydrophobicContact CD1-CD1 3.68Å; Y314-I634 HydrophobicContact CD2-CD1 4.19Å; Y314-I634 HydrophobicContact CE1-CD1 3.58Å; Y314-I634 HydrophobicContact CE2-CD1 4.13Å; Y314-I634 HydrophobicContact CG-CD1 3.98Å; L623-I634 CarbonylContact O-C 3.54Å; L623-I634 WeakPolarHBondContact O-CA 2.96Å; L624-I634 HydrophobicContact CD1-CD1 4.21Å; L624-I634 HydrophobicContact CD1-CG1 3.47Å; L624-I634 VanDerWaalsContact CD1-CG1 3.47Å; I634-V636 HydrophobicContact CG2-CG2 3.83Å
635	R	97.8	Very high	95.5	Very high	15 Å²	15	22.3 Å²	22.3	6%	0.057	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	128.9	173	-167.4	175.3	-67	177	6.9	110.3	P231 Y232 K233 I306 E307 A622 L623 Y625 H637	P231-R635 WeakPolarHBondContact O-CD 3.15Å; Y232-R635 PolarHBondContact O-NH1 2.81Å; K233-R635 PolarHBondContact O-NH1 2.86Å; I306-R635 WeakPolarHBondContact O-CA 3.44Å; E307-R635 HydrophobicContact CG-CB 4.35Å; E307-R635 IonicContact OE2-CZ 3.21Å; E307-R635 IonicContact OE2-NE 2.74Å; E307-R635 PolarHBondContact OE2-NE 3.39Å; E307-R635 IonicContact OE2-NH2 2.89Å; E307-R635 PolarHBondContact OE2-NH2 3.05Å; A622-R635 CarbonylContact C-O 3.57Å; A622-R635 WeakPolarHBondContact CA-O 3.36Å; L623-R635 HydrophobicContact CB-CB 4.46Å; L623-R635 PolarHBondContact N-O 2.79Å; L623-R635 PolarHBondContact O-N 3.24Å; Y625-R635 HydrophobicContact CE1-CB 4.31Å; R635-H637 WeakPolarHBondContact CD-NE2 3.34Å
636	V	97.8	Very high	95.4	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.018	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	129.6	-175.5	-175.8	0	0	0	0	110	Y255 S305 I306 F308 Q620 A621 A622 I634	Y255-V636 HydrophobicContact CD1-CG2 4.36Å; Y255-V636 HydrophobicContact CD2-CG1 4.45Å; Y255-V636 HydrophobicContact CD2-CG2 3.89Å; Y255-V636 HydrophobicContact CE2-CG2 4.35Å; Y255-V636 HydrophobicContact CG-CG2 3.91Å; S305-V636 VanDerWaalsContact CA-O 3.31Å; S305-V636 WeakPolarHBondContact CA-O 3.22Å; I306-V636 HydrophobicContact CG2-CB 4.21Å; I306-V636 PolarHBondContact N-O 3.43Å; I306-V636 PolarHBondContact O-N 3.13Å; F308-V636 HydrophobicContact CD2-CG2 4.24Å; F308-V636 HydrophobicContact CE2-CG2 3.97Å; Q620-V636 VanDerWaalsContact CD-CG1 3.48Å; Q620-V636 HydrophobicContact CG-CG1 3.6Å; A621-V636 WeakPolarHBondContact O-CA 3.17Å; A622-V636 HydrophobicContact CB-CG2 4.37Å; I634-V636 HydrophobicContact CG2-CG2 3.83Å
637	H	97.7	Very high	95.4	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.009	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	121.3	177.5	-61.5	-56.4	0	0	0	109.1	I199 V203 L204 P231 A304 S305 Q620 A621 R635	I199-H637 HydrophobicContact CD1-CB 3.98Å; V203-H637 HydrophobicContact CG1-CB 4.18Å; V203-H637 VanDerWaalsContact CG1-CE1 3.49Å; V203-H637 WeakPolarHBondContact CG1-CE1 3.31Å; V203-H637 VanDerWaalsContact CG1-ND1 3.32Å; V203-H637 WeakPolarHBondContact CG1-ND1 3.47Å; L204-H637 HydrophobicContact CD2-CB 4.33Å; P231-H637 PolarHBondContact O-NE2 3.49Å; A304-H637 WeakPolarHBondContact O-CA 3.25Å; S305-H637 WeakPolarHBondContact CB-ND1 3.2Å; S305-H637 PolarHBondContact OG-ND1 2.89Å; Q620-H637 CarbonylContact C-O 3.6Å; Q620-H637 VanDerWaalsContact CA-O 3.31Å; Q620-H637 WeakPolarHBondContact CA-O 3.4Å; A621-H637 HydrophobicContact CB-CB 4.44Å; A621-H637 PolarHBondContact N-O 3.12Å; A621-H637 PolarHBondContact O-N 3.08Å; R635-H637 WeakPolarHBondContact CD-NE2 3.34Å
638	T	97.2	Very high	95.3	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.018	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	129.5	-178.7	-46.9	0	0	0	0	110.9	N257 Y259 A304 F619 Q620	N257-T638 HydrophobicContact CB-CG2 4.15Å; Y259-T638 HydrophobicContact CD2-CG2 3.82Å; Y259-T638 HydrophobicContact CE2-CG2 3.97Å; A304-T638 PolarHBondContact O-N 3.44Å; F619-T638 WeakPolarHBondContact O-CA 3.48Å; Q620-T638 HydrophobicContact CB-CG2 4.29Å; Q620-T638 PolarHBondContact NE2-OG1 2.91Å
639	I	96.1	Very high	95.3	Very high	8 Å²	8	30 Å²	30	4%	0.041	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	142	170.7	-168.6	170.8	0	0	0	109.7	I199 L204 C618 F619 L641	I199-I639 HydrophobicContact CG2-CB 4.2Å; I199-I639 HydrophobicContact CG2-CD1 4.07Å; I199-I639 HydrophobicContact CG2-CG1 3.98Å; L204-I639 HydrophobicContact CD2-CB 3.9Å; L204-I639 HydrophobicContact CD2-CG2 3.61Å; L204-I639 HydrophobicContact CG-CB 4.24Å; L204-I639 HydrophobicContact CG-CG2 3.94Å; C618-I639 CarbonylContact C-O 3.5Å; C618-I639 VanDerWaalsContact CA-O 3.3Å; C618-I639 WeakPolarHBondContact CA-O 3.43Å; F619-I639 HydrophobicContact CB-CG2 3.88Å; F619-I639 HydrophobicContact CD2-CG2 4.22Å; F619-I639 PolarHBondContact N-O 3.37Å; F619-I639 PolarHBondContact O-N 2.92Å; I639-L641 HydrophobicContact CD1-CD2 3.89Å; I639-L641 HydrophobicContact CD1-CG 4.38Å; I639-L641 HydrophobicContact CG1-CD2 4.04Å; I639-L641 HydrophobicContact CG1-CG 4.24Å
640	C	96	Very high	95.4	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.014	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	139.1	171.7	-173.5	0	0	0	0	108.4	L188 Y259 A617 C618	L188-C640 HydrophobicContact CD1-CB 4.17Å; L188-C640 HydrophobicContact CD2-CB 4.08Å; L188-C640 VanDerWaalsContact CD2-SG 3.56Å; Y259-C640 HydrophobicContact CD1-CB 3.48Å; Y259-C640 VanDerWaalsContact CD1-CB 3.48Å; Y259-C640 HydrophobicContact CD2-CB 3.77Å; Y259-C640 HydrophobicContact CE1-CB 3.44Å; Y259-C640 VanDerWaalsContact CE1-CB 3.44Å; Y259-C640 HydrophobicContact CE2-CB 3.73Å; Y259-C640 HydrophobicContact CG-CB 3.63Å; A617-C640 WeakPolarHBondContact O-CA 3.25Å; C618-C640 PolarHBondContact SG-SG 3.42Å
641	L	95.9	Very high	95.7	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	139.1	-176.4	-59.9	171.7	0	0	0	109.7	V186 C206 V211 V616 A617 F619 I639	V186-L641 HydrophobicContact CB-CD2 4.44Å; V186-L641 HydrophobicContact CG1-CD2 3.83Å; V186-L641 HydrophobicContact CG2-CD2 3.65Å; C206-L641 HydrophobicContact CB-CD1 3.48Å; C206-L641 VanDerWaalsContact CB-CD1 3.48Å; V211-L641 HydrophobicContact CG1-CB 4.25Å; V211-L641 HydrophobicContact CG1-CD1 3.69Å; V616-L641 CarbonylContact C-O 3.55Å; V616-L641 WeakPolarHBondContact CA-O 3.09Å; A617-L641 PolarHBondContact N-O 3.24Å; A617-L641 PolarHBondContact O-N 3.37Å; F619-L641 HydrophobicContact CD2-CD1 4.18Å; F619-L641 HydrophobicContact CE2-CD1 4.02Å; I639-L641 HydrophobicContact CD1-CD2 3.89Å; I639-L641 HydrophobicContact CD1-CG 4.38Å; I639-L641 HydrophobicContact CG1-CD2 4.04Å; I639-L641 HydrophobicContact CG1-CG 4.24Å
642	P	95.9	Very high	95.8	Very high	14 Å²	14	22.7 Å²	22.7	9%	0.091	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	152.4	168.1	27.3	-37.1	0	0	0	112.4	V187 T209 T210 V211 R615	V187-P642 WeakPolarHBondContact O-CG 3.32Å; T209-P642 WeakPolarHBondContact O-CD 3.41Å; T209-P642 WeakPolarHBondContact O-CG 3.49Å; T210-P642 CarbonylContact C-O 3.57Å; T210-P642 WeakPolarHBondContact CA-O 3.42Å; T210-P642 HydrophobicContact CG2-CB 4.42Å; T210-P642 HydrophobicContact CG2-CG 4.25Å; V211-P642 PolarHBondContact N-O 2.9Å; R615-P642 WeakPolarHBondContact O-CA 3.48Å
643	T	96.2	Very high	95.7	Very high	24 Å²	24	21.9 Å²	21.9	15%	0.147	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	152.3	172.1	55.1	0	0	0	0	111.1	V211 I612 C614 R615 A617	V211-T643 HydrophobicContact CG2-CG2 3.92Å; V211-T643 CarbonylContact O-C 3.46Å; V211-T643 VanDerWaalsContact O-CA 3.26Å; V211-T643 WeakPolarHBondContact O-CA 3.19Å; I612-T643 HydrophobicContact CG2-CG2 4.22Å; C614-T643 WeakPolarHBondContact O-CG2 3.39Å; C614-T643 PolarHBondContact O-OG1 2.97Å; R615-T643 VanDerWaalsContact CA-OG1 3.29Å; R615-T643 WeakPolarHBondContact CA-OG1 3.47Å; R615-T643 PolarHBondContact O-N 3.29Å; R615-T643 VanDerWaalsContact O-N 3.08Å; R615-T643 PolarHBondContact O-OG1 2.91Å; A617-T643 HydrophobicContact CB-CG2 4.06Å
644	S	95.4	Very high	95.8	Very high	16 Å²	16	20.7 Å²	20.7	11%	0.112	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	151.6	172	-170.9	0	0	0	0	113.2	V211 P212 S213 S646 E649	V211-S644 PolarHBondContact O-N 2.73Å; P212-S644 VanDerWaalsContact CA-O 3.32Å; P212-S644 WeakPolarHBondContact CA-O 3.26Å; S213-S644 PolarHBondContact N-O 3.35Å; S213-S644 PolarHBondContact OG-O 2.89Å; S644-S646 WeakPolarHBondContact OG-CB 3.16Å; S644-S646 PolarHBondContact OG-N 2.69Å; S644-E649 WeakPolarHBondContact CB-OE2 3.19Å; S644-E649 PolarHBondContact OG-OE2 2.8Å
645	E	95	Very high	95.8	Very high	88 Å²	88	21 Å²	21	41%	0.411	12%	0.116	S	C	.	.	S	Bend	trans	-89.3	-11.2	163.8	-70.4	-61.2	119.1	0	0	112.2	S213 S214 I647	S213-E645 VanDerWaalsContact CB-OE1 3.3Å; S213-E645 WeakPolarHBondContact CB-OE1 3.49Å; S213-E645 WeakPolarHBondContact OG-CG 3.45Å; S213-E645 PolarHBondContact OG-N 2.91Å; S213-E645 PolarHBondContact OG-OE1 3.4Å; S214-E645 WeakPolarHBondContact CB-OE1 3.36Å; S214-E645 PolarHBondContact N-OE1 3.04Å; S214-E645 VanDerWaalsContact OG-CD 3.31Å; S214-E645 PolarHBondContact OG-OE1 2.94Å; S214-E645 PolarHBondContact OG-OE2 2.82Å; E645-I647 PolarHBondContact O-N 3.24Å
646	S	94.5	Very high	95.7	Very high	42 Å²	42	20.7 Å²	20.7	29%	0.294	12%	0.116	S	C	.	.			trans	-77.8	111.1	-174.2	179.7	0	0	0	0	111.4	S644 A648 E649 I650	S644-S646 WeakPolarHBondContact OG-CB 3.16Å; S644-S646 PolarHBondContact OG-N 2.69Å; S646-A648 VanDerWaalsContact C-N 3.26Å; S646-A648 PolarHBondContact O-N 3.4Å; S646-E649 PolarHBondContact O-N 3.43Å; S646-E649 VanDerWaalsContact O-N 3.09Å; S646-I650 WeakPolarHBondContact O-CG1 3.23Å; S646-I650 PolarHBondContact O-N 3.08Å
647	I	94.6	Very high	95.7	Very high	23 Å²	23	21.6 Å²	21.6	12%	0.118	12%	0.12	C	C	.	.	H	α-helix	trans	-58.8	-39.1	178.2	-50.8	-54.5	0	0	0	110.9	A217 K220 A221 E645 E649 I650 H651 C698	A217-I647 WeakPolarHBondContact O-CD1 3.43Å; K220-I647 HydrophobicContact CB-CD1 3.64Å; K220-I647 HydrophobicContact CB-CG1 4.27Å; A221-I647 HydrophobicContact CB-CD1 4.12Å; A221-I647 HydrophobicContact CB-CG2 4.36Å; E645-I647 PolarHBondContact O-N 3.24Å; I647-E649 VanDerWaalsContact C-N 3.35Å; I647-E649 PolarHBondContact O-N 3.13Å; I647-I650 HydrophobicContact CD1-CD1 4.32Å; I647-I650 PolarHBondContact O-N 3.49Å; I647-H651 VanDerWaalsContact CG2-CD2 3.49Å; I647-H651 WeakPolarHBondContact CG2-CD2 3.4Å; I647-H651 PolarHBondContact O-CD2 3.45Å; I647-H651 PolarHBondContact O-N 2.61Å; I647-C698 HydrophobicContact CB-CB 4.15Å; I647-C698 HydrophobicContact CG2-CB 4.15Å
648	A	93.1	Very high	95.7	Very high	26 Å²	26	21.5 Å²	21.5	22%	0.215	12%	0.119	C	C	.	.	H	α-helix	trans	-60.9	-41.6	175.8	0	0	0	0	0	112.5	S646 N652 C698	S646-A648 VanDerWaalsContact C-N 3.26Å; S646-A648 PolarHBondContact O-N 3.4Å; A648-N652 VanDerWaalsContact O-CB 3.26Å; A648-N652 WeakPolarHBondContact O-CB 3.33Å; A648-N652 PolarHBondContact O-N 3.24Å; A648-N652 PolarHBondContact O-ND2 3.1Å; A648-N652 VanDerWaalsContact O-ND2 3.13Å; A648-C698 PolarHBondContact N-SG 3.26Å
649	E	93.5	Very high	95.8	Very high	103 Å²	103	21.3 Å²	21.3	48%	0.481	12%	0.119	S	C	.	.	H	α-helix	trans	-68.5	-42.4	177.2	-68.6	170.3	-168.5	0	0	111.8	S644 S646 I647 N652 G653	S644-E649 WeakPolarHBondContact CB-OE2 3.19Å; S644-E649 PolarHBondContact OG-OE2 2.8Å; S646-E649 PolarHBondContact O-N 3.43Å; S646-E649 VanDerWaalsContact O-N 3.09Å; I647-E649 VanDerWaalsContact C-N 3.35Å; I647-E649 PolarHBondContact O-N 3.13Å; E649-N652 PolarHBondContact O-N 3Å; E649-G653 PolarHBondContact O-N 3.3Å
650	I	95.7	Very high	95.9	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.2	-46.7	176.8	-67.3	159	0	0	0	110.9	L208 P212 A217 A221 L223 S646 I647 G653 A654	L208-I650 HydrophobicContact CD1-CG2 3.97Å; L208-I650 HydrophobicContact CD2-CG2 4.1Å; P212-I650 HydrophobicContact CB-CD1 3.98Å; P212-I650 HydrophobicContact CG-CD1 3.96Å; P212-I650 HydrophobicContact CG-CG1 4.4Å; P212-I650 HydrophobicContact CG-CG2 4.38Å; A217-I650 HydrophobicContact CB-CD1 4.37Å; A221-I650 HydrophobicContact CB-CG2 3.87Å; L223-I650 HydrophobicContact CD1-CG2 4.37Å; S646-I650 WeakPolarHBondContact O-CG1 3.23Å; S646-I650 PolarHBondContact O-N 3.08Å; I647-I650 HydrophobicContact CD1-CD1 4.32Å; I647-I650 PolarHBondContact O-N 3.49Å; I650-G653 CarbonylContact O-C 3.5Å; I650-G653 PolarHBondContact O-N 3.33Å; I650-A654 PolarHBondContact O-N 2.95Å
651	H	95.7	Very high	96	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-68.6	-38.3	177.8	-78.3	-114.8	0	0	0	112.6	A221 I647 G653 A654 S691 Y695 S710 L713	A221-H651 PolarHBondContact O-CE1 2.81Å; A221-H651 VanDerWaalsContact O-CE1 3.31Å; A221-H651 PolarHBondContact O-NE2 3.48Å; I647-H651 VanDerWaalsContact CG2-CD2 3.49Å; I647-H651 WeakPolarHBondContact CG2-CD2 3.4Å; I647-H651 PolarHBondContact O-CD2 3.45Å; I647-H651 PolarHBondContact O-N 2.61Å; H651-G653 VanDerWaalsContact C-N 3.27Å; H651-G653 PolarHBondContact O-N 2.79Å; H651-A654 VanDerWaalsContact O-CB 3.26Å; H651-A654 WeakPolarHBondContact O-CB 3.41Å; H651-A654 PolarHBondContact O-N 2.9Å; H651-A654 VanDerWaalsContact O-N 3.16Å; H651-S691 PolarHBondContact CE1-O 2.79Å; H651-S691 VanDerWaalsContact CE1-O 3.24Å; H651-Y695 HydrophobicContact CB-CD2 3.63Å; H651-Y695 HydrophobicContact CB-CE2 4Å; H651-Y695 AromaticContact CG-CD2 3.77Å; H651-Y695 AromaticContact ND1-CD2 3.85Å; H651-S710 PolarHBondContact O-OG 3.06Å; H651-L713 HydrophobicContact CB-CD1 4.35Å
652	N	94.3	Very high	96.1	Very high	56 Å²	56	20.8 Å²	20.8	30%	0.299	12%	0.116	S	C	.	.	H	α-helix	trans	-69.8	-26.2	176.2	-67.3	-17.3	0	0	0	112.2	G165 A648 E649 A654 S710 S712	G165-N652 PolarHBondContact O-OD1 2.88Å; A648-N652 VanDerWaalsContact O-CB 3.26Å; A648-N652 WeakPolarHBondContact O-CB 3.33Å; A648-N652 PolarHBondContact O-N 3.24Å; A648-N652 PolarHBondContact O-ND2 3.1Å; A648-N652 VanDerWaalsContact O-ND2 3.13Å; E649-N652 PolarHBondContact O-N 3Å; N652-A654 VanDerWaalsContact C-N 3.34Å; N652-S710 WeakPolarHBondContact CA-OG 3.24Å; N652-S710 WeakPolarHBondContact OD1-CB 3.37Å; N652-S710 PolarHBondContact OD1-OG 2.84Å; N652-S712 WeakPolarHBondContact O-CB 3.11Å; N652-S712 PolarHBondContact O-OG 3.21Å
653	G	94.3	Very high	96.2	Very high	5 Å²	5	20.3 Å²	20.3	5%	0.052	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	4.7	170.1	0	0	0	0	0	114.8	L208 T209 E649 I650 H651 D655	L208-G653 CarbonylContact C-O 3.56Å; L208-G653 WeakPolarHBondContact CA-O 3.49Å; T209-G653 PolarHBondContact N-O 3.2Å; T209-G653 WeakPolarHBondContact OG1-CA 3.45Å; T209-G653 PolarHBondContact OG1-O 2.84Å; T209-G653 VanDerWaalsContact OG1-O 3.11Å; E649-G653 PolarHBondContact O-N 3.3Å; I650-G653 CarbonylContact O-C 3.5Å; I650-G653 PolarHBondContact O-N 3.33Å; H651-G653 VanDerWaalsContact C-N 3.27Å; H651-G653 PolarHBondContact O-N 2.79Å; G653-D655 PolarHBondContact O-N 2.95Å
654	A	97	Very high	96.3	Very high	2 Å²	2	19.2 Å²	19.2	2%	0.017	11%	0.105	C	C	.	.	B	Isolated β-bridge	trans	-73.9	130.8	-175.6	0	0	0	0	0	112.8	L208 L223 I650 H651 N652 V656 S712 L713	L208-A654 HydrophobicContact CD2-CB 3.96Å; L223-A654 HydrophobicContact CD1-CB 4.05Å; I650-A654 PolarHBondContact O-N 2.95Å; H651-A654 VanDerWaalsContact O-CB 3.26Å; H651-A654 WeakPolarHBondContact O-CB 3.41Å; H651-A654 PolarHBondContact O-N 2.9Å; H651-A654 VanDerWaalsContact O-N 3.16Å; N652-A654 VanDerWaalsContact C-N 3.34Å; A654-V656 PolarHBondContact O-N 2.7Å; A654-S712 WeakPolarHBondContact O-CB 3.18Å; A654-L713 HydrophobicContact CB-CD1 4.03Å; A654-L713 HydrophobicContact CB-CD2 3.7Å; A654-L713 HydrophobicContact CB-CG 3.77Å
655	D	97.3	Very high	96.4	Very high	6 Å²	6	18.4 Å²	18.4	3%	0.032	10%	0.1	C	C	.	.			trans	-93.6	94.4	175.6	-177.7	-9.9	0	0	0	110.1	P184 R205 T207 G653 Q657 T658 V659	P184-D655 HydrophobicContact CG-CB 3.66Å; R205-D655 IonicContact CZ-OD1 3.74Å; R205-D655 IonicContact CZ-OD2 2.65Å; R205-D655 IonicContact NE-OD2 3.68Å; R205-D655 PolarHBondContact NE-OD2 2.81Å; R205-D655 IonicContact NH2-OD1 2.79Å; R205-D655 PolarHBondContact NH2-OD1 2.8Å; R205-D655 IonicContact NH2-OD2 2.67Å; R205-D655 PolarHBondContact NH2-OD2 3.33Å; T207-D655 PolarHBondContact O-N 2.65Å; G653-D655 PolarHBondContact O-N 2.95Å; D655-Q657 VanDerWaalsContact C-N 3.29Å; D655-Q657 PolarHBondContact O-N 3Å; D655-Q657 PolarHBondContact OD1-N 3.07Å; D655-T658 PolarHBondContact O-N 3.19Å; D655-T658 VanDerWaalsContact O-N 3.11Å; D655-T658 PolarHBondContact OD1-N 2.89Å; D655-T658 PolarHBondContact OD1-OG1 2.86Å; D655-T658 WeakPolarHBondContact OD2-CB 3.27Å; D655-T658 PolarHBondContact OD2-OG1 2.68Å; D655-V659 WeakPolarHBondContact O-CB 3.29Å; D655-V659 WeakPolarHBondContact O-CG2 3.2Å; D655-V659 PolarHBondContact O-N 3.2Å
656	V	97.2	Very high	96.5	Very high	9 Å²	9	14.5 Å²	14.5	6%	0.055	8%	0.082	C	C	.	.	H	α-helix	trans	-59.5	-33.5	-173.4	67.8	0	0	0	0	114.1	A654 I660 S712 L715 F716 Y719	A654-V656 PolarHBondContact O-N 2.7Å; V656-I660 WeakPolarHBondContact O-CB 3.24Å; V656-I660 VanDerWaalsContact O-CG1 3.24Å; V656-I660 WeakPolarHBondContact O-CG1 3.18Å; V656-I660 PolarHBondContact O-N 3.34Å; V656-S712 WeakPolarHBondContact CB-O 3.49Å; V656-L715 HydrophobicContact CG1-CB 4.43Å; V656-L715 HydrophobicContact CG2-CB 4.36Å; V656-F716 HydrophobicContact CG2-CB 3.82Å; V656-Y719 HydrophobicContact CG1-CE2 4.29Å; V656-Y719 HydrophobicContact CG2-CD2 4.09Å; V656-Y719 HydrophobicContact CG2-CE2 4.48Å
657	Q	97.6	Very high	96.7	Very high	22 Å²	22	12.5 Å²	12.5	10%	0.103	7%	0.068	C	C	.	.	H	α-helix	trans	-67.6	-46.8	175.7	-71.1	175.1	-20.4	0	0	110.4	V181 R205 D655 I660 A661 L752 M756	V181-Q657 PolarHBondContact O-NE2 2.74Å; R205-Q657 VanDerWaalsContact NH1-OE1 3.08Å; D655-Q657 VanDerWaalsContact C-N 3.29Å; D655-Q657 PolarHBondContact O-N 3Å; D655-Q657 PolarHBondContact OD1-N 3.07Å; Q657-I660 PolarHBondContact O-N 3.23Å; Q657-A661 VanDerWaalsContact O-CB 3.31Å; Q657-A661 WeakPolarHBondContact O-CB 3.48Å; Q657-A661 PolarHBondContact O-N 3.28Å; Q657-L752 HydrophobicContact CB-CD1 4.39Å; Q657-M756 HydrophobicContact CB-CG 4.14Å; Q657-M756 HydrophobicContact CB-SD 3.98Å; Q657-M756 HydrophobicContact CG-CE 4.24Å; Q657-M756 HydrophobicContact CG-CG 4.03Å; Q657-M756 HydrophobicContact CG-SD 4.07Å
658	T	98.1	Very high	96.8	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-69.4	-35.4	-179.2	-54.9	0	0	0	0	111.7	R205 T207 I228 D655 A661 L662	R205-T658 HydrophobicContact CB-CG2 4.05Å; R205-T658 PolarHBondContact NE-OG1 3.35Å; T207-T658 HydrophobicContact CG2-CG2 4.02Å; I228-T658 HydrophobicContact CB-CG2 4.23Å; I228-T658 HydrophobicContact CG1-CG2 3.65Å; D655-T658 PolarHBondContact O-N 3.19Å; D655-T658 VanDerWaalsContact O-N 3.11Å; D655-T658 PolarHBondContact OD1-N 2.89Å; D655-T658 PolarHBondContact OD1-OG1 2.86Å; D655-T658 WeakPolarHBondContact OD2-CB 3.27Å; D655-T658 PolarHBondContact OD2-OG1 2.68Å; T658-A661 PolarHBondContact O-N 2.89Å; T658-L662 PolarHBondContact O-N 3.19Å
659	V	98.4	Very high	96.9	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-59.3	-50.6	170.8	165.9	0	0	0	0	111	T207 P224 D655 A661 L662 L663 F716	T207-V659 HydrophobicContact CG2-CG2 4.17Å; P224-V659 HydrophobicContact CG-CG1 3.98Å; P224-V659 HydrophobicContact CG-CG2 4.4Å; D655-V659 WeakPolarHBondContact O-CB 3.29Å; D655-V659 WeakPolarHBondContact O-CG2 3.2Å; D655-V659 PolarHBondContact O-N 3.2Å; V659-A661 PolarHBondContact O-N 3.32Å; V659-L662 PolarHBondContact O-N 3.05Å; V659-L663 HydrophobicContact CG1-CD1 3.74Å; V659-L663 HydrophobicContact CG1-CG 4.47Å; V659-L663 WeakPolarHBondContact O-CB 3.13Å; V659-L663 VanDerWaalsContact O-CG 3.31Å; V659-L663 WeakPolarHBondContact O-CG 3.21Å; V659-L663 PolarHBondContact O-N 3.22Å; V659-F716 HydrophobicContact CG1-CD2 4.36Å; V659-F716 HydrophobicContact CG1-CE2 3.92Å; V659-F716 HydrophobicContact CG1-CZ 4.17Å
660	I	98.3	Very high	97	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-62.4	-42.7	177.7	-74.8	-71.5	0	0	0	111.5	V656 Q657 L662 L663 A664 F716 Y719 V720 L723 M756 I759	V656-I660 WeakPolarHBondContact O-CB 3.24Å; V656-I660 VanDerWaalsContact O-CG1 3.24Å; V656-I660 WeakPolarHBondContact O-CG1 3.18Å; V656-I660 PolarHBondContact O-N 3.34Å; Q657-I660 PolarHBondContact O-N 3.23Å; I660-L662 VanDerWaalsContact C-N 3.29Å; I660-L662 PolarHBondContact O-N 2.71Å; I660-L663 PolarHBondContact O-N 3.01Å; I660-A664 WeakPolarHBondContact O-CB 3.32Å; I660-A664 PolarHBondContact O-N 3.06Å; I660-F716 HydrophobicContact CD1-CD2 3.81Å; I660-F716 HydrophobicContact CD1-CE2 3.98Å; I660-F716 HydrophobicContact CG1-CD2 4.28Å; I660-Y719 VanDerWaalsContact CD1-CB 3.49Å; I660-Y719 HydrophobicContact CG1-CD2 4Å; I660-Y719 HydrophobicContact CG1-CG 4.26Å; I660-V720 HydrophobicContact CD1-CG2 3.71Å; I660-L723 HydrophobicContact CD1-CD1 4.21Å; I660-L723 HydrophobicContact CG2-CD1 4.11Å; I660-M756 HydrophobicContact CG2-CE 4.44Å; I660-M756 HydrophobicContact CG2-SD 4.13Å; I660-I759 HydrophobicContact CG2-CD1 3.83Å
661	A	98.2	Very high	96.9	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-62.2	-34.4	177.6	0	0	0	0	0	113.3	I228 Q657 T658 V659 R665 L752 L755	I228-A661 HydrophobicContact CD1-CB 3.97Å; I228-A661 HydrophobicContact CG1-CB 4.06Å; Q657-A661 VanDerWaalsContact O-CB 3.31Å; Q657-A661 WeakPolarHBondContact O-CB 3.48Å; Q657-A661 PolarHBondContact O-N 3.28Å; T658-A661 PolarHBondContact O-N 2.89Å; V659-A661 PolarHBondContact O-N 3.32Å; A661-R665 WeakPolarHBondContact O-CD 3.46Å; A661-R665 WeakPolarHBondContact O-CG 3.17Å; A661-R665 PolarHBondContact O-NH1 2.79Å; A661-L752 HydrophobicContact CB-CD1 3.37Å; A661-L755 HydrophobicContact CB-CD2 3.57Å
662	L	98.2	Very high	96.8	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-77.1	-41.6	174.9	-173.2	60.5	0	0	0	111.7	T207 P224 F580 L605 T658 V659 I660 R665 M666	T207-L662 HydrophobicContact CG2-CB 4.14Å; T207-L662 HydrophobicContact CG2-CD2 3.67Å; P224-L662 HydrophobicContact CB-CD2 4.16Å; F580-L662 HydrophobicContact CD2-CD1 3.9Å; F580-L662 HydrophobicContact CE2-CD1 3.86Å; L605-L662 HydrophobicContact CD1-CD2 4.1Å; T658-L662 PolarHBondContact O-N 3.19Å; V659-L662 PolarHBondContact O-N 3.05Å; I660-L662 VanDerWaalsContact C-N 3.29Å; I660-L662 PolarHBondContact O-N 2.71Å; L662-R665 WeakPolarHBondContact O-CB 3.29Å; L662-R665 PolarHBondContact O-N 3.21Å; L662-M666 HydrophobicContact CG-SD 4.1Å; L662-M666 VanDerWaalsContact O-CG 3.31Å; L662-M666 WeakPolarHBondContact O-CG 3.33Å; L662-M666 PolarHBondContact O-N 2.95Å
663	L	97.9	Very high	96.7	Very high	4 Å²	4	12 Å²	12	2%	0.021	6%	0.06	C	C	.	.	H	α-helix	trans	-63.2	-42.1	177.2	-71.9	168.6	0	0	0	112.4	F6 P224 V659 I660 R665 M666 A667 A687 F716	F6-L663 HydrophobicContact CE1-CD2 4.22Å; F6-L663 HydrophobicContact CE2-CD2 3.81Å; F6-L663 HydrophobicContact CZ-CD2 3.57Å; P224-L663 HydrophobicContact CG-CD2 4.38Å; P224-L663 HydrophobicContact CG-CG 4.33Å; V659-L663 HydrophobicContact CG1-CD1 3.74Å; V659-L663 HydrophobicContact CG1-CG 4.47Å; V659-L663 WeakPolarHBondContact O-CB 3.13Å; V659-L663 VanDerWaalsContact O-CG 3.31Å; V659-L663 WeakPolarHBondContact O-CG 3.21Å; V659-L663 PolarHBondContact O-N 3.22Å; I660-L663 PolarHBondContact O-N 3.01Å; L663-R665 VanDerWaalsContact C-N 3.27Å; L663-R665 PolarHBondContact O-N 3.32Å; L663-M666 PolarHBondContact O-N 2.67Å; L663-A667 WeakPolarHBondContact O-CB 3.47Å; L663-A667 PolarHBondContact O-N 2.98Å; L663-A687 HydrophobicContact CD1-CB 4.38Å; L663-A687 HydrophobicContact CD2-CB 4.33Å; L663-F716 HydrophobicContact CD1-CE2 3.49Å; L663-F716 VanDerWaalsContact CD1-CE2 3.49Å; L663-F716 HydrophobicContact CD1-CZ 3.71Å
664	A	98.3	Very high	96.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-58.2	-40.4	175.2	0	0	0	0	0	111.8	I660 A668 L723 L747 I759	I660-A664 WeakPolarHBondContact O-CB 3.32Å; I660-A664 PolarHBondContact O-N 3.06Å; A664-A668 VanDerWaalsContact O-CB 3.28Å; A664-A668 WeakPolarHBondContact O-CB 3.42Å; A664-A668 PolarHBondContact O-N 2.56Å; A664-L723 HydrophobicContact CB-CD1 4.15Å; A664-L723 HydrophobicContact CB-CD2 3.81Å; A664-L747 HydrophobicContact CB-CD2 4.42Å; A664-I759 HydrophobicContact CB-CD1 4.41Å
665	R	98	Very high	96.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.6	-49.3	175.7	-72.2	179.6	164.9	74	2.7	112.4	F580 A661 L662 L663 A667 A668 D669 L747 R748 M750	F580-R665 HydrophobicContact CB-CB 3.89Å; F580-R665 HydrophobicContact CB-CG 4.29Å; F580-R665 HydrophobicContact CD2-CB 4.09Å; F580-R665 HydrophobicContact CG-CB 3.94Å; A661-R665 WeakPolarHBondContact O-CD 3.46Å; A661-R665 WeakPolarHBondContact O-CG 3.17Å; A661-R665 PolarHBondContact O-NH1 2.79Å; L662-R665 WeakPolarHBondContact O-CB 3.29Å; L662-R665 PolarHBondContact O-N 3.21Å; L663-R665 VanDerWaalsContact C-N 3.27Å; L663-R665 PolarHBondContact O-N 3.32Å; R665-A667 VanDerWaalsContact C-N 3.31Å; R665-A667 PolarHBondContact O-N 3.47Å; R665-A668 PolarHBondContact O-N 3.05Å; R665-D669 VanDerWaalsContact O-CB 3.22Å; R665-D669 WeakPolarHBondContact O-CB 3.05Å; R665-D669 PolarHBondContact O-N 2.82Å; R665-L747 WeakPolarHBondContact CG-O 3.21Å; R665-L747 VanDerWaalsContact CZ-O 3.29Å; R665-L747 PolarHBondContact NE-O 3.46Å; R665-R748 PolarHBondContact NE-O 2.78Å; R665-R748 PolarHBondContact NH2-O 2.77Å; R665-M750 PolarHBondContact NH2-O 3.13Å
666	M	97.2	Very high	96	Very high	5 Å²	5	17.3 Å²	17.3	3%	0.025	11%	0.108	C	C	.	.	H	α-helix	trans	-59.4	-41.7	177.8	-68.7	169.8	72.8	0	0	111.7	F6 F580 L605 L662 L663 R670	F6-M666 HydrophobicContact CD1-CB 4.32Å; F6-M666 HydrophobicContact CD1-CE 3.78Å; F6-M666 HydrophobicContact CE1-CB 3.88Å; F6-M666 HydrophobicContact CE1-CE 4.25Å; F6-M666 HydrophobicContact CG-CE 4.42Å; F6-M666 WeakPolarHBondContact O-CE 3.23Å; F580-M666 HydrophobicContact CE1-CG 4.34Å; F580-M666 HydrophobicContact CE2-CG 3.65Å; F580-M666 HydrophobicContact CZ-CB 4.37Å; F580-M666 HydrophobicContact CZ-CG 3.5Å; F580-M666 VanDerWaalsContact CZ-CG 3.5Å; L605-M666 HydrophobicContact CD1-CE 4.24Å; L605-M666 HydrophobicContact CD1-SD 4.04Å; L605-M666 HydrophobicContact CD2-CE 4.14Å; L662-M666 HydrophobicContact CG-SD 4.1Å; L662-M666 VanDerWaalsContact O-CG 3.31Å; L662-M666 WeakPolarHBondContact O-CG 3.33Å; L662-M666 PolarHBondContact O-N 2.95Å; L663-M666 PolarHBondContact O-N 2.67Å; M666-R670 WeakPolarHBondContact O-CB 3.47Å; M666-R670 PolarHBondContact O-N 2.91Å
667	A	97.5	Very high	95.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-69	-45.1	178.2	0	0	0	0	0	112.4	L663 R665 R670 C671 A680 M684 F729	L663-A667 WeakPolarHBondContact O-CB 3.47Å; L663-A667 PolarHBondContact O-N 2.98Å; R665-A667 VanDerWaalsContact C-N 3.31Å; R665-A667 PolarHBondContact O-N 3.47Å; A667-R670 PolarHBondContact O-N 2.85Å; A667-C671 PolarHBondContact O-N 2.93Å; A667-C671 PolarHBondContact O-SG 2.8Å; A667-C671 VanDerWaalsContact O-SG 3.41Å; A667-A680 HydrophobicContact CB-CB 4.36Å; A667-M684 HydrophobicContact CB-CE 4.43Å; A667-M684 HydrophobicContact CB-CG 4.36Å; A667-M684 HydrophobicContact CB-SD 4.01Å; A667-F729 HydrophobicContact CB-CE1 3.64Å; A667-F729 HydrophobicContact CB-CE2 4.26Å; A667-F729 HydrophobicContact CB-CZ 3.49Å; A667-F729 VanDerWaalsContact CB-CZ 3.49Å
668	A	97.4	Very high	95.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-64.3	-45.4	178.7	0	0	0	0	0	111.9	A664 R665 C671 M672 F729 M744 L747 R748	A664-A668 VanDerWaalsContact O-CB 3.28Å; A664-A668 WeakPolarHBondContact O-CB 3.42Å; A664-A668 PolarHBondContact O-N 2.56Å; R665-A668 PolarHBondContact O-N 3.05Å; A668-C671 PolarHBondContact O-N 2.89Å; A668-M672 HydrophobicContact CB-CE 4.47Å; A668-M672 PolarHBondContact O-N 3.39Å; A668-F729 HydrophobicContact CB-CZ 4.06Å; A668-M744 HydrophobicContact CB-CB 3.99Å; A668-M744 HydrophobicContact CB-CG 4.21Å; A668-M744 WeakPolarHBondContact CB-O 3.49Å; A668-L747 HydrophobicContact CB-CB 4.29Å; A668-L747 HydrophobicContact CB-CD1 4.4Å; A668-R748 HydrophobicContact CB-CG 4.34Å
669	D	95.4	Very high	95.3	Very high	17 Å²	17	20.7 Å²	20.7	9%	0.091	13%	0.128	C	C	.	.	H	α-helix	trans	-62.8	-43.8	177.6	-163.6	92.8	0	0	0	111.5	F580 R665 C671 M672 N673 R748	F580-D669 HydrophobicContact CD1-CB 3.93Å; F580-D669 HydrophobicContact CE1-CB 4.06Å; R665-D669 VanDerWaalsContact O-CB 3.22Å; R665-D669 WeakPolarHBondContact O-CB 3.05Å; R665-D669 PolarHBondContact O-N 2.82Å; D669-C671 PolarHBondContact O-N 3Å; D669-M672 PolarHBondContact O-N 3.46Å; D669-N673 VanDerWaalsContact O-CB 3.31Å; D669-N673 WeakPolarHBondContact O-CB 3.12Å; D669-N673 PolarHBondContact O-N 3.2Å; D669-N673 PolarHBondContact O-ND2 2.68Å; D669-N673 VanDerWaalsContact O-ND2 3.15Å; D669-N673 PolarHBondContact OD2-ND2 2.82Å; D669-R748 IonicContact OD1-CZ 3.71Å; D669-R748 VanDerWaalsContact OD1-CZ 3.23Å; D669-R748 IonicContact OD1-NE 2.72Å; D669-R748 PolarHBondContact OD1-NE 2.78Å; D669-R748 IonicContact OD1-NH2 2.7Å; D669-R748 PolarHBondContact OD1-NH2 2.84Å
670	R	94.3	Very high	95.2	Very high	66 Å²	66	20.7 Å²	20.7	25%	0.249	13%	0.128	C	C	.	.	H	α-helix	trans	-57.2	-44.3	173.6	-179.5	178.1	-180	86.1	-4.2	112.3	G5 M666 A667 G675	G5-R670 PolarHBondContact O-NE 3.26Å; G5-R670 PolarHBondContact O-NH1 2.93Å; G5-R670 PolarHBondContact O-NH2 3.2Å; M666-R670 WeakPolarHBondContact O-CB 3.47Å; M666-R670 PolarHBondContact O-N 2.91Å; A667-R670 PolarHBondContact O-N 2.85Å; R670-G675 VanDerWaalsContact O-CA 3.22Å; R670-G675 WeakPolarHBondContact O-CA 3.35Å; R670-G675 PolarHBondContact O-N 2.99Å
671	C	94.9	Very high	95	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-67.7	-43.5	180	-72	0	0	0	0	113.2	M483 A667 A668 D669 N673 G674 G675 A680 M744	M483-C671 HydrophobicContact CE-CB 4.32Å; A667-C671 PolarHBondContact O-N 2.93Å; A667-C671 PolarHBondContact O-SG 2.8Å; A667-C671 VanDerWaalsContact O-SG 3.41Å; A668-C671 PolarHBondContact O-N 2.89Å; D669-C671 PolarHBondContact O-N 3Å; C671-N673 VanDerWaalsContact C-N 3.28Å; C671-N673 PolarHBondContact O-N 2.75Å; C671-G674 PolarHBondContact O-N 3.39Å; C671-G675 WeakPolarHBondContact CA-O 3.46Å; C671-A680 VanDerWaalsContact SG-CB 3.56Å; C671-M744 HydrophobicContact CB-CE 3.53Å; C671-M744 HydrophobicContact CB-SD 3.64Å
672	M	93.9	Very high	94.9	Very high	15 Å²	15	26.1 Å²	26.1	7%	0.074	15%	0.153	C	C	.	.	H	α-helix	trans	-71.5	-22.6	179.1	-70.1	-173.6	-69	0	0	113.3	A668 D669 G674 I741 M744 R748	A668-M672 HydrophobicContact CB-CE 4.47Å; A668-M672 PolarHBondContact O-N 3.39Å; D669-M672 PolarHBondContact O-N 3.46Å; M672-G674 VanDerWaalsContact C-N 3.35Å; M672-I741 HydrophobicContact CG-CD1 4.35Å; M672-I741 HydrophobicContact SD-CG2 4.14Å; M672-M744 HydrophobicContact CE-CB 3.81Å; M672-M744 HydrophobicContact CG-CB 4.13Å; M672-M744 HydrophobicContact CG-SD 3.84Å; M672-M744 HydrophobicContact SD-CB 3.74Å; M672-R748 HydrophobicContact CE-CG 4.4Å
673	N	92.1	Very high	94.7	Very high	101 Å²	101	26.3 Å²	26.3	54%	0.54	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	30.9	176	-67.7	-42.3	0	0	0	113.1	D669 C671	D669-N673 VanDerWaalsContact O-CB 3.31Å; D669-N673 WeakPolarHBondContact O-CB 3.12Å; D669-N673 PolarHBondContact O-N 3.2Å; D669-N673 PolarHBondContact O-ND2 2.68Å; D669-N673 VanDerWaalsContact O-ND2 3.15Å; D669-N673 PolarHBondContact OD2-ND2 2.82Å; C671-N673 VanDerWaalsContact C-N 3.28Å; C671-N673 PolarHBondContact O-N 2.75Å
674	G	91.2	Very high	94.7	Very high	56 Å²	56	26.1 Å²	26.1	58%	0.577	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.3	2.7	170.6	0	0	0	0	0	116.1	C671 M672	C671-G674 PolarHBondContact O-N 3.39Å; M672-G674 VanDerWaalsContact C-N 3.35Å
675	G	91.4	Very high	94.6	Very high	16 Å²	16	27.2 Å²	27.2	17%	0.165	16%	0.159	C	C	.	.			trans	-74.7	141.5	173.5	0	0	0	0	0	112.8	R670 C671 L677	R670-G675 VanDerWaalsContact O-CA 3.22Å; R670-G675 WeakPolarHBondContact O-CA 3.35Å; R670-G675 PolarHBondContact O-N 2.99Å; C671-G675 WeakPolarHBondContact CA-O 3.46Å; G675-L677 PolarHBondContact O-N 2.93Å
676	S	91	Very high	94.6	Very high	53 Å²	53	30.2 Å²	30.2	37%	0.371	18%	0.176	S	C	.	.			trans	-59.9	134.8	175.2	172.7	0	0	0	0	112	Q678 A679 A680	S676-Q678 VanDerWaalsContact C-N 3.26Å; S676-Q678 PolarHBondContact O-N 3.01Å; S676-Q678 PolarHBondContact OG-N 3.3Å; S676-A679 PolarHBondContact O-N 3Å; S676-A680 PolarHBondContact O-N 3.23Å; S676-A680 VanDerWaalsContact O-N 3.08Å
677	L	93.2	Very high	94.6	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.021	18%	0.179	C	C	.	.	H	α-helix	trans	-54.9	-43.1	170.9	170.5	59.7	0	0	0	111.4	V480 M483 G675 A679 A680 R681 F729	V480-L677 HydrophobicContact CB-CD2 4.34Å; V480-L677 HydrophobicContact CG2-CD2 3.69Å; M483-L677 HydrophobicContact CE-CB 4.13Å; G675-L677 PolarHBondContact O-N 2.93Å; L677-A679 VanDerWaalsContact C-N 3.35Å; L677-A679 PolarHBondContact O-N 3.26Å; L677-A680 PolarHBondContact O-N 3.48Å; L677-R681 HydrophobicContact CD1-CG 4.23Å; L677-R681 WeakPolarHBondContact O-CG 3.5Å; L677-R681 PolarHBondContact O-N 3.38Å; L677-F729 HydrophobicContact CD1-CB 4.16Å; L677-F729 HydrophobicContact CD1-CD1 4.03Å
678	Q	92.5	Very high	94.6	Very high	70 Å²	70	30.5 Å²	30.5	33%	0.327	18%	0.179	S	C	.	.	H	α-helix	trans	-62.4	-43.1	179.4	179.7	59.2	21.6	0	0	111.2	S676 A680 R681 E682	S676-Q678 VanDerWaalsContact C-N 3.26Å; S676-Q678 PolarHBondContact O-N 3.01Å; S676-Q678 PolarHBondContact OG-N 3.3Å; Q678-A680 VanDerWaalsContact C-N 3.32Å; Q678-A680 PolarHBondContact O-N 2.89Å; Q678-R681 WeakPolarHBondContact O-CB 3.37Å; Q678-R681 PolarHBondContact O-N 3.1Å; Q678-E682 WeakPolarHBondContact CG-OE1 3.45Å; Q678-E682 PolarHBondContact NE2-OE1 3.41Å; Q678-E682 WeakPolarHBondContact O-CG 3.4Å; Q678-E682 PolarHBondContact O-N 3.43Å
679	A	93	Very high	94.5	Very high	27 Å²	27	31.4 Å²	31.4	22%	0.223	18%	0.184	C	C	.	.	H	α-helix	trans	-64.2	-34.4	176.3	0	0	0	0	0	112.7	S676 L677 A683	S676-A679 PolarHBondContact O-N 3Å; L677-A679 VanDerWaalsContact C-N 3.35Å; L677-A679 PolarHBondContact O-N 3.26Å; A679-A683 WeakPolarHBondContact O-CB 3.21Å; A679-A683 PolarHBondContact O-N 3.06Å
680	A	94.9	Very high	94.5	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-68.4	-39.3	174.1	0	0	0	0	0	112.2	A667 C671 S676 L677 Q678 A683 M684	A667-A680 HydrophobicContact CB-CB 4.36Å; C671-A680 VanDerWaalsContact SG-CB 3.56Å; S676-A680 PolarHBondContact O-N 3.23Å; S676-A680 VanDerWaalsContact O-N 3.08Å; L677-A680 PolarHBondContact O-N 3.48Å; Q678-A680 VanDerWaalsContact C-N 3.32Å; Q678-A680 PolarHBondContact O-N 2.89Å; A680-A683 PolarHBondContact O-N 2.92Å; A680-M684 WeakPolarHBondContact O-CG 3Å; A680-M684 PolarHBondContact O-N 3.45Å; A680-M684 VanDerWaalsContact O-N 3.11Å
681	R	95.1	Very high	94.5	Very high	19 Å²	19	29 Å²	29	7%	0.072	18%	0.176	C	C	.	.	H	α-helix	trans	-62.4	-50.5	174.2	-67.9	173.1	61.6	70.7	9	111.8	L677 Q678 A683 M684 V685 L724 F729 H731	L677-R681 HydrophobicContact CD1-CG 4.23Å; L677-R681 WeakPolarHBondContact O-CG 3.5Å; L677-R681 PolarHBondContact O-N 3.38Å; Q678-R681 WeakPolarHBondContact O-CB 3.37Å; Q678-R681 PolarHBondContact O-N 3.1Å; R681-A683 VanDerWaalsContact C-N 3.31Å; R681-A683 PolarHBondContact O-N 2.87Å; R681-M684 PolarHBondContact O-N 3.45Å; R681-V685 PolarHBondContact O-N 3.37Å; R681-V685 VanDerWaalsContact O-N 3.11Å; R681-L724 HydrophobicContact CB-CD2 3.69Å; R681-L724 HydrophobicContact CG-CD2 3.87Å; R681-L724 PolarHBondContact NH1-O 2.92Å; R681-F729 WeakPolarHBondContact CD-O 3.21Å; R681-F729 HydrophobicContact CG-CB 4.5Å; R681-F729 PolarHBondContact NH1-O 3.2Å; R681-H731 PolarHBondContact NH1-CD2 3.16Å; R681-H731 PolarHBondContact NH2-CD2 2.84Å; R681-H731 PolarHBondContact NH2-NE2 3.4Å
682	E	95.1	Very high	94.5	Very high	96 Å²	96	29.3 Å²	29.3	45%	0.449	18%	0.177	S	C	.	.	H	α-helix	trans	-59.4	-41.8	176.5	-73.1	167.9	-173	0	0	111.6	Q678 M684 V685 N686	Q678-E682 WeakPolarHBondContact CG-OE1 3.45Å; Q678-E682 PolarHBondContact NE2-OE1 3.41Å; Q678-E682 WeakPolarHBondContact O-CG 3.4Å; Q678-E682 PolarHBondContact O-N 3.43Å; E682-M684 PolarHBondContact O-N 3.08Å; E682-V685 PolarHBondContact O-N 3.42Å; E682-N686 WeakPolarHBondContact O-CB 3.2Å; E682-N686 VanDerWaalsContact O-CG 3.28Å; E682-N686 PolarHBondContact O-N 3.3Å; E682-N686 PolarHBondContact O-ND2 3Å
683	A	95.6	Very high	94.4	Very high	4 Å²	4	34.2 Å²	34.2	3%	0.033	20%	0.196	C	C	.	.	H	α-helix	trans	-58.4	-46	175.7	0	0	0	0	0	111.7	F6 A679 A680 R681 V685 N686 A687	F6-A683 HydrophobicContact CD1-CB 4.32Å; F6-A683 HydrophobicContact CD2-CB 3.63Å; F6-A683 HydrophobicContact CE1-CB 4.28Å; F6-A683 HydrophobicContact CE2-CB 3.59Å; F6-A683 WeakPolarHBondContact CE2-O 3.3Å; F6-A683 HydrophobicContact CG-CB 3.99Å; F6-A683 HydrophobicContact CZ-CB 3.91Å; A679-A683 WeakPolarHBondContact O-CB 3.21Å; A679-A683 PolarHBondContact O-N 3.06Å; A680-A683 PolarHBondContact O-N 2.92Å; R681-A683 VanDerWaalsContact C-N 3.31Å; R681-A683 PolarHBondContact O-N 2.87Å; A683-V685 PolarHBondContact O-N 2.91Å; A683-N686 PolarHBondContact O-N 3.04Å; A683-A687 PolarHBondContact O-N 3.33Å
684	M	96.6	Very high	94.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.3	-41.2	177	-69.9	-174	-70.6	0	0	113.1	F6 A667 A680 R681 E682 A687 V720 L723 L724 F729	F6-M684 HydrophobicContact CZ-CG 4.22Å; A667-M684 HydrophobicContact CB-CE 4.43Å; A667-M684 HydrophobicContact CB-CG 4.36Å; A667-M684 HydrophobicContact CB-SD 4.01Å; A680-M684 WeakPolarHBondContact O-CG 3Å; A680-M684 PolarHBondContact O-N 3.45Å; A680-M684 VanDerWaalsContact O-N 3.11Å; R681-M684 PolarHBondContact O-N 3.45Å; E682-M684 PolarHBondContact O-N 3.08Å; M684-A687 PolarHBondContact O-N 2.66Å; M684-V720 HydrophobicContact CB-CG1 4.09Å; M684-L723 HydrophobicContact SD-CB 4.02Å; M684-L723 HydrophobicContact SD-CD1 3.96Å; M684-L724 HydrophobicContact CE-CD2 3.93Å; M684-F729 HydrophobicContact CE-CB 4.07Å; M684-F729 HydrophobicContact CE-CD1 4.24Å; M684-F729 HydrophobicContact CE-CD2 3.9Å; M684-F729 HydrophobicContact CE-CE2 4.42Å; M684-F729 HydrophobicContact CE-CG 3.8Å; M684-F729 HydrophobicContact SD-CD2 4.41Å; M684-F729 HydrophobicContact SD-CE2 4.48Å
685	V	97	Very high	94.5	Very high	22 Å²	22	27.3 Å²	27.3	13%	0.133	15%	0.146	C	C	.	.	H	α-helix	trans	-63.8	-44.6	173.9	177.7	0	0	0	0	110.8	R681 E682 A683 A687 V688 L689 L724 F891 I895	R681-V685 PolarHBondContact O-N 3.37Å; R681-V685 VanDerWaalsContact O-N 3.11Å; E682-V685 PolarHBondContact O-N 3.42Å; A683-V685 PolarHBondContact O-N 2.91Å; V685-A687 VanDerWaalsContact C-N 3.28Å; V685-A687 PolarHBondContact O-N 3.04Å; V685-V688 WeakPolarHBondContact O-CB 3.5Å; V685-V688 PolarHBondContact O-N 3.06Å; V685-V688 VanDerWaalsContact O-N 3.08Å; V685-L689 HydrophobicContact CG1-CD1 4.11Å; V685-L689 PolarHBondContact O-N 2.85Å; V685-L689 VanDerWaalsContact O-N 3.09Å; V685-L724 HydrophobicContact CG2-CD1 3.71Å; V685-L724 HydrophobicContact CG2-CD2 4.49Å; V685-F891 HydrophobicContact CG1-CE2 4.39Å; V685-F891 HydrophobicContact CG2-CE2 4.17Å; V685-F891 HydrophobicContact CG2-CZ 4.38Å; V685-I895 HydrophobicContact CG1-CD1 4.16Å
686	N	97	Very high	94.5	Very high	64 Å²	64	27.5 Å²	27.5	34%	0.342	14%	0.144	S	C	.	.	H	α-helix	trans	-62.6	-31.9	177.8	-75.2	-43.4	0	0	0	112.8	P3 E682 A683 V688 L689 D690	P3-N686 HydrophobicContact CG-CB 4.35Å; E682-N686 WeakPolarHBondContact O-CB 3.2Å; E682-N686 VanDerWaalsContact O-CG 3.28Å; E682-N686 PolarHBondContact O-N 3.3Å; E682-N686 PolarHBondContact O-ND2 3Å; A683-N686 PolarHBondContact O-N 3.04Å; N686-V688 VanDerWaalsContact C-N 3.3Å; N686-V688 PolarHBondContact O-N 3.33Å; N686-L689 PolarHBondContact O-N 2.7Å; N686-D690 VanDerWaalsContact O-CB 3.24Å; N686-D690 WeakPolarHBondContact O-CB 3.38Å; N686-D690 PolarHBondContact O-N 2.94Å
687	A	97	Very high	94.3	Very high	10 Å²	10	29.7 Å²	29.7	8%	0.083	15%	0.149	C	C	.	.	H	α-helix	trans	-63.9	-34.5	173.8	0	0	0	0	0	112.7	F6 L663 A683 M684 V685 S691 F716	F6-A687 HydrophobicContact CE2-CB 4.06Å; L663-A687 HydrophobicContact CD1-CB 4.38Å; L663-A687 HydrophobicContact CD2-CB 4.33Å; A683-A687 PolarHBondContact O-N 3.33Å; M684-A687 PolarHBondContact O-N 2.66Å; V685-A687 VanDerWaalsContact C-N 3.28Å; V685-A687 PolarHBondContact O-N 3.04Å; A687-S691 VanDerWaalsContact O-CB 3.24Å; A687-S691 WeakPolarHBondContact O-CB 3.33Å; A687-S691 PolarHBondContact O-N 2.72Å; A687-F716 HydrophobicContact CB-CZ 4.04Å; A687-F716 WeakPolarHBondContact O-CE1 3.28Å
688	V	97.2	Very high	94	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-69	-49	173	178.7	0	0	0	0	110.6	V685 N686 S691 I692 F716 P717 V720 I895	V685-V688 WeakPolarHBondContact O-CB 3.5Å; V685-V688 PolarHBondContact O-N 3.06Å; V685-V688 VanDerWaalsContact O-N 3.08Å; N686-V688 VanDerWaalsContact C-N 3.3Å; N686-V688 PolarHBondContact O-N 3.33Å; V688-S691 PolarHBondContact O-N 2.84Å; V688-I692 HydrophobicContact CG1-CD1 3.69Å; V688-I692 WeakPolarHBondContact O-CG1 3.24Å; V688-I692 PolarHBondContact O-N 3.09Å; V688-F716 HydrophobicContact CG2-CD1 4.31Å; V688-F716 HydrophobicContact CG2-CD2 4.41Å; V688-F716 HydrophobicContact CG2-CE1 4.17Å; V688-F716 HydrophobicContact CG2-CE2 4.24Å; V688-F716 HydrophobicContact CG2-CG 4.42Å; V688-F716 HydrophobicContact CG2-CZ 4.12Å; V688-P717 HydrophobicContact CG1-CB 3.98Å; V688-P717 HydrophobicContact CG1-CG 3.73Å; V688-V720 HydrophobicContact CG2-CB 3.75Å; V688-V720 HydrophobicContact CG2-CG1 3.9Å; V688-V720 HydrophobicContact CG2-CG2 3.59Å; V688-I895 HydrophobicContact CB-CD1 4.34Å; V688-I895 HydrophobicContact CG1-CD1 4Å; V688-I895 HydrophobicContact CG1-CG1 4.48Å
689	L	95.9	Very high	93.6	Very high	20 Å²	20	31.6 Å²	31.6	11%	0.105	17%	0.165	C	C	.	.	H	α-helix	trans	-58.8	-52.8	179.5	-70.3	170.2	0	0	0	111.9	V685 N686 S691 I692 Y693 I895 E898 L899	V685-L689 HydrophobicContact CG1-CD1 4.11Å; V685-L689 PolarHBondContact O-N 2.85Å; V685-L689 VanDerWaalsContact O-N 3.09Å; N686-L689 PolarHBondContact O-N 2.7Å; L689-S691 VanDerWaalsContact C-N 3.3Å; L689-S691 PolarHBondContact O-N 2.85Å; L689-I692 PolarHBondContact O-N 3.28Å; L689-Y693 VanDerWaalsContact O-CB 3.25Å; L689-Y693 WeakPolarHBondContact O-CB 3.4Å; L689-Y693 PolarHBondContact O-N 2.82Å; L689-I895 HydrophobicContact CD2-CB 4.42Å; L689-I895 HydrophobicContact CD2-CD1 3.62Å; L689-I895 HydrophobicContact CD2-CG2 4.11Å; L689-I895 HydrophobicContact CG-CD1 3.81Å; L689-E898 HydrophobicContact CD1-CB 3.98Å; L689-E898 HydrophobicContact CD1-CG 4.42Å; L689-E898 HydrophobicContact CD2-CB 3.72Å; L689-L899 HydrophobicContact CD2-CD2 4.22Å; L689-L899 HydrophobicContact CD2-CG 3.91Å
690	D	94.9	Very high	92.8	Very high	29 Å²	29	37.3 Å²	37.3	16%	0.155	19%	0.191	C	C	.	.	H	α-helix	trans	-59.5	-39.5	179.9	-91.2	-3	0	0	0	111.9	P3 R222 N686 A694	P3-D690 WeakPolarHBondContact CD-OD2 3.16Å; R222-D690 HydrophobicContact CB-CB 3.88Å; R222-D690 HydrophobicContact CG-CB 4.02Å; R222-D690 IonicContact CZ-OD1 2.68Å; R222-D690 IonicContact CZ-OD2 2.85Å; R222-D690 IonicContact NH1-OD1 3.98Å; R222-D690 PolarHBondContact NH1-OD1 3.25Å; R222-D690 IonicContact NH1-OD2 2.7Å; R222-D690 PolarHBondContact NH1-OD2 3.36Å; N686-D690 VanDerWaalsContact O-CB 3.24Å; N686-D690 WeakPolarHBondContact O-CB 3.38Å; N686-D690 PolarHBondContact O-N 2.94Å; D690-A694 VanDerWaalsContact O-CB 3.28Å; D690-A694 WeakPolarHBondContact O-CB 3.5Å; D690-A694 PolarHBondContact O-N 2.77Å
691	S	95.1	Very high	91.5	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.021	20%	0.2	C	C	.	.	H	α-helix	trans	-69.7	-43.7	179.3	-173.7	0	0	0	0	112.4	L223 H651 A687 V688 L689 A694 Y695	L223-S691 WeakPolarHBondContact CD2-OG 3.39Å; H651-S691 PolarHBondContact CE1-O 2.79Å; H651-S691 VanDerWaalsContact CE1-O 3.24Å; A687-S691 VanDerWaalsContact O-CB 3.24Å; A687-S691 WeakPolarHBondContact O-CB 3.33Å; A687-S691 PolarHBondContact O-N 2.72Å; V688-S691 PolarHBondContact O-N 2.84Å; L689-S691 VanDerWaalsContact C-N 3.3Å; L689-S691 PolarHBondContact O-N 2.85Å; S691-A694 PolarHBondContact O-N 3.37Å; S691-Y695 PolarHBondContact O-N 2.81Å; S691-Y695 VanDerWaalsContact O-N 3.09Å
692	I	94.2	Very high	90.1	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-65.5	-42.5	176	-68.6	170.1	0	0	0	110.3	V688 L689 Y695 N696 V707 L708 C709 P717 I895 L899	V688-I692 HydrophobicContact CG1-CD1 3.69Å; V688-I692 WeakPolarHBondContact O-CG1 3.24Å; V688-I692 PolarHBondContact O-N 3.09Å; L689-I692 PolarHBondContact O-N 3.28Å; I692-Y695 PolarHBondContact O-N 2.85Å; I692-N696 WeakPolarHBondContact O-CB 3.21Å; I692-N696 VanDerWaalsContact O-CG 3.23Å; I692-N696 PolarHBondContact O-N 3.2Å; I692-N696 PolarHBondContact O-ND2 3.42Å; I692-V707 HydrophobicContact CD1-CG1 3.92Å; I692-L708 WeakPolarHBondContact CG2-O 3.1Å; I692-C709 HydrophobicContact CG1-CB 4.25Å; I692-P717 HydrophobicContact CD1-CG 4.39Å; I692-I895 HydrophobicContact CD1-CG2 3.84Å; I692-L899 HydrophobicContact CB-CD1 4.17Å; I692-L899 HydrophobicContact CB-CD2 4.42Å; I692-L899 HydrophobicContact CG2-CD1 3.42Å; I692-L899 VanDerWaalsContact CG2-CD1 3.42Å; I692-L899 HydrophobicContact CG2-CD2 4.14Å; I692-L899 HydrophobicContact CG2-CG 4.45Å
693	Y	92.6	Very high	88.8	Confident	119 Å²	119	46.5 Å²	46.5	47%	0.467	24%	0.235	S	C	.	.	H	α-helix	trans	-59.3	-50	175.2	-179.5	-91.4	0	0	0	111.9	L689 Y695 N696 M697	L689-Y693 VanDerWaalsContact O-CB 3.25Å; L689-Y693 WeakPolarHBondContact O-CB 3.4Å; L689-Y693 PolarHBondContact O-N 2.82Å; Y693-Y695 VanDerWaalsContact C-N 3.31Å; Y693-Y695 PolarHBondContact O-N 2.85Å; Y693-N696 PolarHBondContact O-N 3.32Å; Y693-M697 HydrophobicContact CD1-CG 4.11Å; Y693-M697 HydrophobicContact CD2-CE 4.37Å; Y693-M697 HydrophobicContact CE1-CG 3.69Å; Y693-M697 HydrophobicContact CE1-SD 4.45Å; Y693-M697 HydrophobicContact CE2-CE 3.9Å; Y693-M697 HydrophobicContact CE2-CG 4.38Å; Y693-M697 HydrophobicContact CE2-SD 4.38Å; Y693-M697 WeakPolarHBondContact O-CG 3.42Å; Y693-M697 PolarHBondContact O-N 3.26Å
694	A	92.8	Very high	87.6	Confident	7 Å²	7	53.5 Å²	53.5	6%	0.058	27%	0.265	C	S	.	.	H	α-helix	trans	-56.6	-43.4	177.8	0	0	0	0	0	112.5	K220 R222 D690 S691 C698	K220-A694 VanDerWaalsContact O-CB 3.24Å; K220-A694 WeakPolarHBondContact O-CB 3.48Å; R222-A694 HydrophobicContact CB-CB 4.06Å; R222-A694 HydrophobicContact CG-CB 3.98Å; D690-A694 VanDerWaalsContact O-CB 3.28Å; D690-A694 WeakPolarHBondContact O-CB 3.5Å; D690-A694 PolarHBondContact O-N 2.77Å; S691-A694 PolarHBondContact O-N 3.37Å; A694-C698 PolarHBondContact O-N 2.9Å; A694-C698 VanDerWaalsContact O-N 3.1Å
695	Y	92.8	Very high	86.7	Confident	5 Å²	5	55.2 Å²	55.2	2%	0.02	28%	0.283	C	S	.	.	H	α-helix	trans	-66.7	-43	177.7	-168.8	-105.1	0	0	0	112.4	G165 T166 H651 S691 I692 Y693 M697 C698 L699 S710	G165-Y695 PolarHBondContact O-OH 3.3Å; T166-Y695 HydrophobicContact CG2-CE1 3.97Å; T166-Y695 PolarHBondContact OG1-OH 3.13Å; H651-Y695 HydrophobicContact CB-CD2 3.63Å; H651-Y695 HydrophobicContact CB-CE2 4Å; H651-Y695 AromaticContact CG-CD2 3.77Å; H651-Y695 AromaticContact ND1-CD2 3.85Å; S691-Y695 PolarHBondContact O-N 2.81Å; S691-Y695 VanDerWaalsContact O-N 3.09Å; I692-Y695 PolarHBondContact O-N 2.85Å; Y693-Y695 VanDerWaalsContact C-N 3.31Å; Y693-Y695 PolarHBondContact O-N 2.85Å; Y695-M697 PolarHBondContact O-N 3.23Å; Y695-C698 WeakPolarHBondContact O-CB 3.21Å; Y695-C698 PolarHBondContact O-N 2.92Å; Y695-C698 VanDerWaalsContact O-N 3.12Å; Y695-L699 HydrophobicContact CD1-CD1 3.91Å; Y695-L699 HydrophobicContact CD1-CG 4.33Å; Y695-L699 HydrophobicContact CE1-CD1 3.47Å; Y695-L699 VanDerWaalsContact CE1-CD1 3.47Å; Y695-L699 HydrophobicContact CE1-CD2 4.49Å; Y695-L699 HydrophobicContact CE1-CG 4.03Å; Y695-L699 PolarHBondContact O-N 3.25Å; Y695-S710 VanDerWaalsContact CE1-N 3.29Å
696	N	90.6	Very high	86.1	Confident	20 Å²	20	58 Å²	58	11%	0.107	29%	0.291	C	S	.	.	H	α-helix	trans	-63.3	-39.7	178	-73.1	-19	0	0	0	113	I692 Y693 C698 L699 N700 S701 L708	I692-N696 WeakPolarHBondContact O-CB 3.21Å; I692-N696 VanDerWaalsContact O-CG 3.23Å; I692-N696 PolarHBondContact O-N 3.2Å; I692-N696 PolarHBondContact O-ND2 3.42Å; Y693-N696 PolarHBondContact O-N 3.32Å; N696-C698 VanDerWaalsContact C-N 3.34Å; N696-L699 PolarHBondContact O-N 2.9Å; N696-N700 PolarHBondContact O-N 3.18Å; N696-S701 PolarHBondContact O-N 2.65Å; N696-L708 WeakPolarHBondContact OD1-CB 3.48Å; N696-L708 PolarHBondContact OD1-O 2.82Å; N696-L708 VanDerWaalsContact OD1-O 3.13Å
697	M	88	Confident	85.8	Confident	98 Å²	98	54.9 Å²	54.9	48%	0.483	27%	0.274	S	S	.	.	H	α-helix	trans	-62.4	-41.3	172.3	-66.8	-57.7	109.8	0	0	111.2	Y693 Y695 L699 N700	Y693-M697 HydrophobicContact CD1-CG 4.11Å; Y693-M697 HydrophobicContact CD2-CE 4.37Å; Y693-M697 HydrophobicContact CE1-CG 3.69Å; Y693-M697 HydrophobicContact CE1-SD 4.45Å; Y693-M697 HydrophobicContact CE2-CE 3.9Å; Y693-M697 HydrophobicContact CE2-CG 4.38Å; Y693-M697 HydrophobicContact CE2-SD 4.38Å; Y693-M697 WeakPolarHBondContact O-CG 3.42Å; Y693-M697 PolarHBondContact O-N 3.26Å; Y695-M697 PolarHBondContact O-N 3.23Å; M697-L699 VanDerWaalsContact C-N 3.3Å; M697-L699 PolarHBondContact O-N 3.25Å; M697-N700 PolarHBondContact O-N 3.04Å; M697-N700 VanDerWaalsContact O-N 3.14Å
698	C	86.1	Confident	85.6	Confident	48 Å²	48	54.9 Å²	54.9	32%	0.324	27%	0.273	S	S	.	.	H	α-helix	trans	-64.4	-32.1	176.9	-169.2	0	0	0	0	113.3	I647 A648 A694 Y695 N696 N700	I647-C698 HydrophobicContact CB-CB 4.15Å; I647-C698 HydrophobicContact CG2-CB 4.15Å; A648-C698 PolarHBondContact N-SG 3.26Å; A694-C698 PolarHBondContact O-N 2.9Å; A694-C698 VanDerWaalsContact O-N 3.1Å; Y695-C698 WeakPolarHBondContact O-CB 3.21Å; Y695-C698 PolarHBondContact O-N 2.92Å; Y695-C698 VanDerWaalsContact O-N 3.12Å; N696-C698 VanDerWaalsContact C-N 3.34Å; C698-N700 VanDerWaalsContact C-N 3.27Å; C698-N700 PolarHBondContact O-N 3.4Å
699	L	84.6	Confident	85.4	Confident	67 Å²	67	55.1 Å²	55.1	35%	0.351	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-4.2	176	-67.7	-177.7	0	0	0	114	T166 Y695 N696 M697 S701	T166-L699 HydrophobicContact CG2-CD1 4.01Å; Y695-L699 HydrophobicContact CD1-CD1 3.91Å; Y695-L699 HydrophobicContact CD1-CG 4.33Å; Y695-L699 HydrophobicContact CE1-CD1 3.47Å; Y695-L699 VanDerWaalsContact CE1-CD1 3.47Å; Y695-L699 HydrophobicContact CE1-CD2 4.49Å; Y695-L699 HydrophobicContact CE1-CG 4.03Å; Y695-L699 PolarHBondContact O-N 3.25Å; N696-L699 PolarHBondContact O-N 2.9Å; M697-L699 VanDerWaalsContact C-N 3.3Å; M697-L699 PolarHBondContact O-N 3.25Å; L699-S701 PolarHBondContact O-N 2.97Å; L699-S701 VanDerWaalsContact O-N 3.11Å
700	N	76.8	Confident	85.2	Confident	146 Å²	146	54.2 Å²	54.2	78%	0.781	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	26.9	-166.3	-67.7	-53.6	0	0	0	113.2	N696 M697 C698 K702	N696-N700 PolarHBondContact O-N 3.18Å; M697-N700 PolarHBondContact O-N 3.04Å; M697-N700 VanDerWaalsContact O-N 3.14Å; C698-N700 VanDerWaalsContact C-N 3.27Å; C698-N700 PolarHBondContact O-N 3.4Å; N700-K702 PolarHBondContact O-N 3Å
701	S	66.3	Low	85.1	Confident	28 Å²	28	55.9 Å²	55.9	20%	0.196	27%	0.274	C	S	.	.			trans	-82.8	102.9	-169.6	-171.7	0	0	0	0	111.1	N696 L699 Q703 L708	N696-S701 PolarHBondContact O-N 2.65Å; L699-S701 PolarHBondContact O-N 2.97Å; L699-S701 VanDerWaalsContact O-N 3.11Å; S701-Q703 PolarHBondContact O-N 2.85Å; S701-Q703 WeakPolarHBondContact OG-CB 3.44Å; S701-Q703 WeakPolarHBondContact OG-CG 3.12Å; S701-L708 WeakPolarHBondContact OG-CD1 3.34Å
702	K	66.3	Low	85.1	Confident	178 Å²	178	57.1 Å²	57.1	77%	0.774	28%	0.283	S	S	*	.			trans	-80.4	26.1	170.2	-62.5	-174.2	178.5	-177.9	0	113.1	N700 F704	N700-K702 PolarHBondContact O-N 3Å; K702-F704 VanDerWaalsContact C-N 3.34Å; K702-F704 HydrophobicContact CB-CE2 4.49Å; K702-F704 WeakPolarHBondContact O-CD2 3.5Å; K702-F704 PolarHBondContact O-N 3.42Å
703	Q	67.2	Low	85.1	Confident	103 Å²	103	57.1 Å²	57.1	48%	0.481	28%	0.282	S	S	.	.			trans	-85.9	76.3	-175.5	-63.7	-174.3	-4.1	0	0	111	S701 R706 L708	S701-Q703 PolarHBondContact O-N 2.85Å; S701-Q703 WeakPolarHBondContact OG-CB 3.44Å; S701-Q703 WeakPolarHBondContact OG-CG 3.12Å; Q703-R706 HydrophobicContact CB-CG 4.34Å; Q703-R706 PolarHBondContact O-N 3.03Å; Q703-R706 VanDerWaalsContact OE1-CD 3.31Å; Q703-L708 HydrophobicContact CB-CD1 4.47Å
704	F	69.9	Low	85.3	Confident	151 Å²	151	53 Å²	53	66%	0.662	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	146	174	-55.5	-67.3	0	0	0	111.6	K702 R706 P901	K702-F704 VanDerWaalsContact C-N 3.34Å; K702-F704 HydrophobicContact CB-CE2 4.49Å; K702-F704 WeakPolarHBondContact O-CD2 3.5Å; K702-F704 PolarHBondContact O-N 3.42Å; F704-R706 VanDerWaalsContact C-N 3.35Å; F704-P901 HydrophobicContact CD1-CG 4.17Å; F704-P901 HydrophobicContact CE1-CG 3.68Å; F704-P901 HydrophobicContact CZ-CG 4.4Å
705	G	78.3	Confident	85.5	Confident	35 Å²	35	52.7 Å²	52.7	36%	0.361	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	7.5	-179.1	0	0	0	0	0	115.6	Q896	G705-Q896 PolarHBondContact O-NE2 2.78Å
706	R	85.6	Confident	85.7	Confident	80 Å²	80	52.6 Å²	52.6	30%	0.302	26%	0.263	S	S	.	.			trans	-112.2	151.2	172.5	-54.9	-172.4	74	-169.5	-0.4	111.1	D168 Q703 F704 L708	D168-R706 IonicContact OD2-CZ 3.14Å; D168-R706 IonicContact OD2-NE 2.74Å; D168-R706 PolarHBondContact OD2-NE 2.86Å; D168-R706 IonicContact OD2-NH2 2.71Å; D168-R706 PolarHBondContact OD2-NH2 2.87Å; Q703-R706 HydrophobicContact CB-CG 4.34Å; Q703-R706 PolarHBondContact O-N 3.03Å; Q703-R706 VanDerWaalsContact OE1-CD 3.31Å; F704-R706 VanDerWaalsContact C-N 3.35Å; R706-L708 HydrophobicContact CB-CD1 4.5Å; R706-L708 HydrophobicContact CB-CD2 4.27Å; R706-L708 HydrophobicContact CB-CG 3.96Å
707	V	90.2	Very high	86	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.259	C	S	.	.			trans	-111.1	77.8	173.9	-176.2	0	0	0	0	107.8	D168 L169 L170 I692 I895 Q896	D168-V707 WeakPolarHBondContact CA-O 3.33Å; D168-V707 PolarHBondContact OD1-N 3.48Å; L169-V707 HydrophobicContact CB-CB 4.33Å; L169-V707 HydrophobicContact CB-CG1 4.19Å; L169-V707 HydrophobicContact CD1-CG1 4.1Å; L169-V707 HydrophobicContact CG-CG1 4.4Å; L169-V707 PolarHBondContact N-O 2.58Å; L170-V707 HydrophobicContact CD1-CB 4.47Å; L170-V707 HydrophobicContact CD1-CG2 3.78Å; L170-V707 HydrophobicContact CD2-CG2 4.32Å; L170-V707 HydrophobicContact CG-CB 4.14Å; L170-V707 HydrophobicContact CG-CG2 3.8Å; I692-V707 HydrophobicContact CD1-CG1 3.92Å; V707-I895 HydrophobicContact CG1-CG2 4.14Å; V707-Q896 HydrophobicContact CG2-CB 3.65Å; V707-Q896 HydrophobicContact CG2-CG 4.05Å
708	L	91.7	Very high	86.4	Confident	10 Å²	10	47.2 Å²	47.2	5%	0.052	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	129.6	-178.4	-59.6	174.5	0	0	0	110.6	T166 V167 D168 I692 N696 S701 Q703 R706	T166-L708 HydrophobicContact CG2-CB 4.21Å; T166-L708 HydrophobicContact CG2-CD2 4.23Å; V167-L708 VanDerWaalsContact O-CA 3.3Å; V167-L708 WeakPolarHBondContact O-CA 3.21Å; D168-L708 HydrophobicContact CB-CD2 3.75Å; I692-L708 WeakPolarHBondContact CG2-O 3.1Å; N696-L708 WeakPolarHBondContact OD1-CB 3.48Å; N696-L708 PolarHBondContact OD1-O 2.82Å; N696-L708 VanDerWaalsContact OD1-O 3.13Å; S701-L708 WeakPolarHBondContact OG-CD1 3.34Å; Q703-L708 HydrophobicContact CB-CD1 4.47Å; R706-L708 HydrophobicContact CB-CD1 4.5Å; R706-L708 HydrophobicContact CB-CD2 4.27Å; R706-L708 HydrophobicContact CB-CG 3.96Å
709	C	92.6	Very high	87	Confident	5 Å²	5	45.3 Å²	45.3	3%	0.034	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	167.9	172.7	74.9	0	0	0	0	111.6	T166 V167 I692	T166-C709 WeakPolarHBondContact CA-O 3.47Å; V167-C709 VanDerWaalsContact CG1-SG 3.53Å; V167-C709 PolarHBondContact N-O 3.17Å; V167-C709 PolarHBondContact O-N 2.96Å; I692-C709 HydrophobicContact CG1-CB 4.25Å
710	S	93.4	Very high	87.6	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	142.5	166.9	178.5	0	0	0	0	110.1	G165 H651 N652 Y695 S712 L713 R714	G165-S710 WeakPolarHBondContact O-CA 3.43Å; H651-S710 PolarHBondContact O-OG 3.06Å; N652-S710 WeakPolarHBondContact CA-OG 3.24Å; N652-S710 WeakPolarHBondContact OD1-CB 3.37Å; N652-S710 PolarHBondContact OD1-OG 2.84Å; Y695-S710 VanDerWaalsContact CE1-N 3.29Å; S710-S712 PolarHBondContact O-N 2.74Å; S710-S712 PolarHBondContact OG-N 2.99Å; S710-L713 CarbonylContact O-C 3.54Å; S710-L713 PolarHBondContact O-N 3.22Å; S710-R714 PolarHBondContact O-N 3.04Å
711	W	92.5	Very high	88.6	Confident	64 Å²	64	35.2 Å²	35.2	24%	0.242	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-58.4	-30.1	175.7	177.6	-93	0	0	0	113.7	R164 G165 V167 L713 R714	R164-W711 HydrophobicContact CB-CB 4.37Å; R164-W711 HydrophobicContact CB-CD2 3.9Å; R164-W711 HydrophobicContact CB-CE3 4.14Å; R164-W711 HydrophobicContact CB-CG 3.98Å; R164-W711 WeakPolarHBondContact O-CB 3.25Å; G165-W711 PolarHBondContact O-N 3.48Å; V167-W711 HydrophobicContact CB-CE3 4.07Å; V167-W711 HydrophobicContact CG2-CE3 4.38Å; V167-W711 HydrophobicContact CG2-CZ3 4.34Å; W711-L713 PolarHBondContact O-N 3.21Å; W711-R714 WeakPolarHBondContact O-CB 3.47Å; W711-R714 WeakPolarHBondContact O-CD 3.34Å; W711-R714 WeakPolarHBondContact O-CG 3.27Å; W711-R714 PolarHBondContact O-N 2.91Å; W711-R714 PolarHBondContact O-NH1 3.39Å
712	S	94.1	Very high	90.1	Very high	30 Å²	30	33.9 Å²	33.9	21%	0.21	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-68.3	-26.1	177.2	-52.1	0	0	0	0	112	N652 A654 V656 S710	N652-S712 WeakPolarHBondContact O-CB 3.11Å; N652-S712 PolarHBondContact O-OG 3.21Å; A654-S712 WeakPolarHBondContact O-CB 3.18Å; V656-S712 WeakPolarHBondContact CB-O 3.49Å; S710-S712 PolarHBondContact O-N 2.74Å; S710-S712 PolarHBondContact OG-N 2.99Å
713	L	95.7	Very high	91.6	Very high	5 Å²	5	25.4 Å²	25.4	3%	0.026	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-102	9.9	177.4	-69.2	166.4	0	0	0	113.7	L223 H651 A654 S710 W711 L715 F716	L223-L713 HydrophobicContact CD1-CD1 4.09Å; L223-L713 HydrophobicContact CD2-CD1 3.95Å; L223-L713 HydrophobicContact CD2-CD2 4.12Å; H651-L713 HydrophobicContact CB-CD1 4.35Å; A654-L713 HydrophobicContact CB-CD1 4.03Å; A654-L713 HydrophobicContact CB-CD2 3.7Å; A654-L713 HydrophobicContact CB-CG 3.77Å; S710-L713 CarbonylContact O-C 3.54Å; S710-L713 PolarHBondContact O-N 3.22Å; W711-L713 PolarHBondContact O-N 3.21Å; L713-L715 PolarHBondContact O-N 2.97Å; L713-L715 VanDerWaalsContact O-N 3.13Å; L713-F716 HydrophobicContact CB-CB 4.28Å; L713-F716 HydrophobicContact CD2-CB 4.27Å; L713-F716 HydrophobicContact CD2-CD1 4.19Å; L713-F716 HydrophobicContact CD2-CG 4.34Å; L713-F716 WeakPolarHBondContact O-CB 3.39Å; L713-F716 PolarHBondContact O-N 2.78Å
714	R	95.4	Very high	93	Very high	33 Å²	33	20.8 Å²	20.8	13%	0.125	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-30.2	-174.9	74.7	-174.1	-178.9	-76.9	-2	114.8	V167 L169 I175 S710 W711	V167-R714 HydrophobicContact CG1-CB 3.83Å; L169-R714 HydrophobicContact CD2-CB 4.17Å; I175-R714 HydrophobicContact CD1-CB 3.86Å; I175-R714 HydrophobicContact CD1-CG 4.1Å; I175-R714 HydrophobicContact CG1-CB 3.8Å; I175-R714 HydrophobicContact CG1-CG 3.79Å; I175-R714 PolarHBondContact O-NE 3.04Å; S710-R714 PolarHBondContact O-N 3.04Å; W711-R714 WeakPolarHBondContact O-CB 3.47Å; W711-R714 WeakPolarHBondContact O-CD 3.34Å; W711-R714 WeakPolarHBondContact O-CG 3.27Å; W711-R714 PolarHBondContact O-N 2.91Å; W711-R714 PolarHBondContact O-NH1 3.39Å
715	L	96.5	Very high	94.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-2.7	177.3	-55.6	-177.8	0	0	0	112.9	I175 V181 V656 L713 L718 Y719	I175-L715 HydrophobicContact CB-CD2 4.48Å; I175-L715 HydrophobicContact CG1-CD2 4.28Å; I175-L715 HydrophobicContact CG2-CD2 3.87Å; I175-L715 WeakPolarHBondContact O-CD2 3.48Å; V181-L715 HydrophobicContact CG1-CD1 4.28Å; V181-L715 HydrophobicContact CG2-CD1 3.6Å; V656-L715 HydrophobicContact CG1-CB 4.43Å; V656-L715 HydrophobicContact CG2-CB 4.36Å; L713-L715 PolarHBondContact O-N 2.97Å; L713-L715 VanDerWaalsContact O-N 3.13Å; L715-L718 HydrophobicContact CD2-CD2 4.31Å; L715-L718 WeakPolarHBondContact O-CB 3.38Å; L715-L718 PolarHBondContact O-N 3.09Å; L715-L718 VanDerWaalsContact O-N 3.16Å; L715-Y719 HydrophobicContact CB-CD2 3.93Å; L715-Y719 HydrophobicContact CB-CE2 3.7Å; L715-Y719 HydrophobicContact CD1-CE2 3.96Å; L715-Y719 WeakPolarHBondContact CD1-OH 3.46Å; L715-Y719 HydrophobicContact CG-CE2 4.49Å; L715-Y719 PolarHBondContact O-N 3.25Å
716	F	97.6	Very high	95	Very high	4 Å²	4	13.3 Å²	13.3	2%	0.018	6%	0.059	C	C	.	.	H	α-helix	trans	-63.1	-45.2	-172.9	-174.7	-151.1	0	0	0	112.7	V656 V659 I660 L663 A687 V688 L713 L718 V720	V656-F716 HydrophobicContact CG2-CB 3.82Å; V659-F716 HydrophobicContact CG1-CD2 4.36Å; V659-F716 HydrophobicContact CG1-CE2 3.92Å; V659-F716 HydrophobicContact CG1-CZ 4.17Å; I660-F716 HydrophobicContact CD1-CD2 3.81Å; I660-F716 HydrophobicContact CD1-CE2 3.98Å; I660-F716 HydrophobicContact CG1-CD2 4.28Å; L663-F716 HydrophobicContact CD1-CE2 3.49Å; L663-F716 VanDerWaalsContact CD1-CE2 3.49Å; L663-F716 HydrophobicContact CD1-CZ 3.71Å; A687-F716 HydrophobicContact CB-CZ 4.04Å; A687-F716 WeakPolarHBondContact O-CE1 3.28Å; V688-F716 HydrophobicContact CG2-CD1 4.31Å; V688-F716 HydrophobicContact CG2-CD2 4.41Å; V688-F716 HydrophobicContact CG2-CE1 4.17Å; V688-F716 HydrophobicContact CG2-CE2 4.24Å; V688-F716 HydrophobicContact CG2-CG 4.42Å; V688-F716 HydrophobicContact CG2-CZ 4.12Å; L713-F716 HydrophobicContact CB-CB 4.28Å; L713-F716 HydrophobicContact CD2-CB 4.27Å; L713-F716 HydrophobicContact CD2-CD1 4.19Å; L713-F716 HydrophobicContact CD2-CG 4.34Å; L713-F716 WeakPolarHBondContact O-CB 3.39Å; L713-F716 PolarHBondContact O-N 2.78Å; F716-L718 VanDerWaalsContact C-N 3.31Å; F716-L718 PolarHBondContact O-N 3.04Å; F716-V720 HydrophobicContact CD2-CG2 3.93Å; F716-V720 HydrophobicContact CE2-CG2 3.62Å; F716-V720 HydrophobicContact CZ-CG2 4.47Å; F716-V720 WeakPolarHBondContact O-CG2 3.41Å; F716-V720 PolarHBondContact O-N 3.2Å
717	P	97.3	Very high	95.5	Very high	3 Å²	3	13.5 Å²	13.5	2%	0.019	6%	0.062	C	C	.	.	H	α-helix	trans	-65.4	-33.9	174.2	-18.4	32.2	0	0	0	112.8	L169 V688 I692 L721 Y888 F891 L892	L169-P717 HydrophobicContact CD1-CG 3.67Å; V688-P717 HydrophobicContact CG1-CB 3.98Å; V688-P717 HydrophobicContact CG1-CG 3.73Å; I692-P717 HydrophobicContact CD1-CG 4.39Å; P717-L721 WeakPolarHBondContact O-CB 3.32Å; P717-L721 PolarHBondContact O-N 3.42Å; P717-Y888 HydrophobicContact CB-CE2 4.4Å; P717-F891 HydrophobicContact CB-CD1 4.35Å; P717-F891 HydrophobicContact CB-CE1 4Å; P717-F891 WeakPolarHBondContact O-CE1 3.33Å; P717-L892 HydrophobicContact CB-CD2 4.03Å; P717-L892 HydrophobicContact CG-CD2 4.31Å
718	L	97.1	Very high	95.7	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.005	6%	0.062	C	C	.	.	H	α-helix	trans	-66.7	-48.3	-179.8	179.2	60.6	0	0	0	111.2	I175 L715 F716 L721 A722 Y760 E879 Y888	I175-L718 HydrophobicContact CG2-CD2 4.38Å; L715-L718 HydrophobicContact CD2-CD2 4.31Å; L715-L718 WeakPolarHBondContact O-CB 3.38Å; L715-L718 PolarHBondContact O-N 3.09Å; L715-L718 VanDerWaalsContact O-N 3.16Å; F716-L718 VanDerWaalsContact C-N 3.31Å; F716-L718 PolarHBondContact O-N 3.04Å; L718-L721 WeakPolarHBondContact O-CB 3.34Å; L718-L721 PolarHBondContact O-N 2.86Å; L718-A722 PolarHBondContact O-N 3.36Å; L718-Y760 HydrophobicContact CD1-CE2 3.96Å; L718-Y760 HydrophobicContact CD2-CE2 3.82Å; L718-Y760 HydrophobicContact CG-CD2 4.3Å; L718-Y760 HydrophobicContact CG-CE2 3.85Å; L718-E879 HydrophobicContact CD1-CG 3.54Å; L718-Y888 HydrophobicContact CB-CD2 4.25Å; L718-Y888 HydrophobicContact CB-CE2 3.72Å; L718-Y888 HydrophobicContact CD1-CD2 3.75Å; L718-Y888 HydrophobicContact CD1-CE2 4.04Å; L718-Y888 HydrophobicContact CD1-CG 4.02Å; L718-Y888 HydrophobicContact CG-CE2 4.47Å
719	Y	98	Very high	95.9	Very high	9 Å²	9	13 Å²	13	4%	0.035	6%	0.059	C	C	.	.	H	α-helix	trans	-71.2	-30.1	178.2	-66	-29	0	0	0	113.1	V656 I660 L715 A722 L723 M756 Y760	V656-Y719 HydrophobicContact CG1-CE2 4.29Å; V656-Y719 HydrophobicContact CG2-CD2 4.09Å; V656-Y719 HydrophobicContact CG2-CE2 4.48Å; I660-Y719 VanDerWaalsContact CD1-CB 3.49Å; I660-Y719 HydrophobicContact CG1-CD2 4Å; I660-Y719 HydrophobicContact CG1-CG 4.26Å; L715-Y719 HydrophobicContact CB-CD2 3.93Å; L715-Y719 HydrophobicContact CB-CE2 3.7Å; L715-Y719 HydrophobicContact CD1-CE2 3.96Å; L715-Y719 WeakPolarHBondContact CD1-OH 3.46Å; L715-Y719 HydrophobicContact CG-CE2 4.49Å; L715-Y719 PolarHBondContact O-N 3.25Å; Y719-A722 PolarHBondContact O-N 3.27Å; Y719-L723 PolarHBondContact O-N 3.14Å; Y719-M756 HydrophobicContact CD1-CE 4.04Å; Y719-M756 HydrophobicContact CD2-CE 3.78Å; Y719-M756 HydrophobicContact CE1-CE 3.83Å; Y719-M756 HydrophobicContact CE2-CE 3.55Å; Y719-M756 HydrophobicContact CG-CE 4.01Å; Y719-Y760 HydrophobicContact CD1-CD2 4.17Å; Y719-Y760 HydrophobicContact CD1-CG 4.06Å; Y719-Y760 HydrophobicContact CE1-CD1 4.12Å; Y719-Y760 HydrophobicContact CE1-CD2 4.22Å; Y719-Y760 AromaticContact CE1-CG 3.79Å; Y719-Y760 HydrophobicContact CE1-CG 3.79Å
720	V	98.1	Very high	95.9	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-67.2	-41.2	168.9	165.3	0	0	0	0	111.3	I660 M684 V688 F716 A722 L723 L724 F891	I660-V720 HydrophobicContact CD1-CG2 3.71Å; M684-V720 HydrophobicContact CB-CG1 4.09Å; V688-V720 HydrophobicContact CG2-CB 3.75Å; V688-V720 HydrophobicContact CG2-CG1 3.9Å; V688-V720 HydrophobicContact CG2-CG2 3.59Å; F716-V720 HydrophobicContact CD2-CG2 3.93Å; F716-V720 HydrophobicContact CE2-CG2 3.62Å; F716-V720 HydrophobicContact CZ-CG2 4.47Å; F716-V720 WeakPolarHBondContact O-CG2 3.41Å; F716-V720 PolarHBondContact O-N 3.2Å; V720-A722 VanDerWaalsContact C-N 3.31Å; V720-A722 PolarHBondContact O-N 2.72Å; V720-L723 WeakPolarHBondContact O-CB 3.47Å; V720-L723 PolarHBondContact O-N 3.32Å; V720-L724 HydrophobicContact CG1-CD1 4.15Å; V720-L724 HydrophobicContact CG1-CG 4.43Å; V720-L724 VanDerWaalsContact O-CG 3.3Å; V720-L724 WeakPolarHBondContact O-CG 3.3Å; V720-L724 PolarHBondContact O-N 3.23Å; V720-F891 HydrophobicContact CG1-CZ 4.32Å
721	L	97.5	Very high	95.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-60.9	-41.1	173.6	-177.8	62.2	0	0	0	112	P717 L718 L724 K725 T885 Y888 F891	P717-L721 WeakPolarHBondContact O-CB 3.32Å; P717-L721 PolarHBondContact O-N 3.42Å; L718-L721 WeakPolarHBondContact O-CB 3.34Å; L718-L721 PolarHBondContact O-N 2.86Å; L721-L724 PolarHBondContact O-N 3.21Å; L721-K725 PolarHBondContact O-N 3.05Å; L721-K725 VanDerWaalsContact O-N 3.15Å; L721-T885 HydrophobicContact CD1-CG2 3.66Å; L721-Y888 VanDerWaalsContact CD2-CA 3.46Å; L721-Y888 HydrophobicContact CD2-CD2 4.16Å; L721-F891 HydrophobicContact CB-CD1 4.02Å; L721-F891 HydrophobicContact CB-CE1 4.27Å; L721-F891 HydrophobicContact CD1-CB 4.22Å; L721-F891 HydrophobicContact CD1-CD1 4.42Å; L721-F891 HydrophobicContact CD1-CD2 4.37Å; L721-F891 HydrophobicContact CD1-CG 4.09Å; L721-F891 HydrophobicContact CD2-CB 4.09Å; L721-F891 HydrophobicContact CD2-CD1 4.43Å; L721-F891 HydrophobicContact CD2-CG 4.44Å
722	A	97.5	Very high	95.2	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.008	8%	0.075	C	C	.	.	H	α-helix	trans	-61.3	-44.8	174.3	0	0	0	0	0	111.8	L718 Y719 V720 L724 K725 H726 I759 Y760 V878	L718-A722 PolarHBondContact O-N 3.36Å; Y719-A722 PolarHBondContact O-N 3.27Å; V720-A722 VanDerWaalsContact C-N 3.31Å; V720-A722 PolarHBondContact O-N 2.72Å; A722-L724 VanDerWaalsContact C-N 3.34Å; A722-L724 PolarHBondContact O-N 3.41Å; A722-K725 CarbonylContact O-C 3.53Å; A722-K725 PolarHBondContact O-N 3.5Å; A722-K725 VanDerWaalsContact O-N 3.1Å; A722-H726 PolarHBondContact O-N 3.44Å; A722-I759 HydrophobicContact CB-CG2 3.84Å; A722-I759 WeakPolarHBondContact CB-O 3.45Å; A722-Y760 HydrophobicContact CB-CD2 4.29Å; A722-V878 HydrophobicContact CB-CB 4.2Å; A722-V878 HydrophobicContact CB-CG1 4.43Å; A722-V878 HydrophobicContact CB-CG2 3.85Å
723	L	97	Very high	94.9	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-58.9	-41.5	172	-81.1	174.3	0	0	0	112.7	I660 A664 M684 Y719 V720 K725 H726 F729 I759	I660-L723 HydrophobicContact CD1-CD1 4.21Å; I660-L723 HydrophobicContact CG2-CD1 4.11Å; A664-L723 HydrophobicContact CB-CD1 4.15Å; A664-L723 HydrophobicContact CB-CD2 3.81Å; M684-L723 HydrophobicContact SD-CB 4.02Å; M684-L723 HydrophobicContact SD-CD1 3.96Å; Y719-L723 PolarHBondContact O-N 3.14Å; V720-L723 WeakPolarHBondContact O-CB 3.47Å; V720-L723 PolarHBondContact O-N 3.32Å; L723-K725 PolarHBondContact O-N 2.88Å; L723-H726 VanDerWaalsContact O-CB 3.31Å; L723-H726 WeakPolarHBondContact O-CB 3.34Å; L723-H726 PolarHBondContact O-N 2.89Å; L723-H726 VanDerWaalsContact O-N 3.12Å; L723-F729 HydrophobicContact CD2-CD2 4.33Å; L723-F729 HydrophobicContact CD2-CE2 4.1Å; L723-I759 HydrophobicContact CD2-CD1 3.71Å; L723-I759 HydrophobicContact CD2-CG1 3.81Å; L723-I759 HydrophobicContact CD2-CG2 4.22Å; L723-I759 HydrophobicContact CG-CD1 4.3Å; L723-I759 HydrophobicContact CG-CG1 4.5Å; L723-I759 HydrophobicContact CG-CG2 4.04Å
724	L	96.2	Very high	94.7	Very high	5 Å²	5	18.2 Å²	18.2	3%	0.026	11%	0.106	C	C	.	.	H	α-helix	trans	-65.2	-21.4	177	-67.7	169.5	0	0	0	113.2	R681 M684 V685 V720 L721 A722 T885 F891	R681-L724 HydrophobicContact CB-CD2 3.69Å; R681-L724 HydrophobicContact CG-CD2 3.87Å; R681-L724 PolarHBondContact NH1-O 2.92Å; M684-L724 HydrophobicContact CE-CD2 3.93Å; V685-L724 HydrophobicContact CG2-CD1 3.71Å; V685-L724 HydrophobicContact CG2-CD2 4.49Å; V720-L724 HydrophobicContact CG1-CD1 4.15Å; V720-L724 HydrophobicContact CG1-CG 4.43Å; V720-L724 VanDerWaalsContact O-CG 3.3Å; V720-L724 WeakPolarHBondContact O-CG 3.3Å; V720-L724 PolarHBondContact O-N 3.23Å; L721-L724 PolarHBondContact O-N 3.21Å; A722-L724 VanDerWaalsContact C-N 3.34Å; A722-L724 PolarHBondContact O-N 3.41Å; L724-T885 HydrophobicContact CB-CG2 4.46Å; L724-F891 HydrophobicContact CD1-CE2 4.29Å; L724-F891 HydrophobicContact CD1-CZ 4.42Å
725	K	95.7	Very high	94.6	Very high	25 Å²	25	17.6 Å²	17.6	11%	0.109	11%	0.106	C	C	.	.	H	α-helix	trans	-96.4	-14.5	173.6	-67.6	175.5	-175.6	170.9	0	113.1	L721 A722 L723 V878 D880 T882 T885 L886	L721-K725 PolarHBondContact O-N 3.05Å; L721-K725 VanDerWaalsContact O-N 3.15Å; A722-K725 CarbonylContact O-C 3.53Å; A722-K725 PolarHBondContact O-N 3.5Å; A722-K725 VanDerWaalsContact O-N 3.1Å; L723-K725 PolarHBondContact O-N 2.88Å; K725-V878 HydrophobicContact CB-CG1 4.4Å; K725-V878 HydrophobicContact CD-CB 4.21Å; K725-V878 WeakPolarHBondContact CD-O 3.23Å; K725-V878 PolarHBondContact NZ-O 2.93Å; K725-D880 PolarHBondContact NZ-O 3.15Å; K725-T882 HydrophobicContact CD-CG2 4.34Å; K725-T885 HydrophobicContact CD-CG2 4.41Å; K725-T885 HydrophobicContact CG-CG2 3.92Å; K725-L886 VanDerWaalsContact CE-O 3.26Å; K725-L886 WeakPolarHBondContact CE-O 3.37Å; K725-L886 PolarHBondContact NZ-O 3.28Å
726	H	96.1	Very high	94.5	Very high	5 Å²	5	20.1 Å²	20.1	2%	0.023	12%	0.117	C	C	.	.	S	Bend	trans	-61.8	141.7	179.2	-162.8	-109.2	0	0	0	111.7	A722 L723 A728 F729 A730 D758	A722-H726 PolarHBondContact O-N 3.44Å; L723-H726 VanDerWaalsContact O-CB 3.31Å; L723-H726 WeakPolarHBondContact O-CB 3.34Å; L723-H726 PolarHBondContact O-N 2.89Å; L723-H726 VanDerWaalsContact O-N 3.12Å; H726-A728 PolarHBondContact O-N 3.42Å; H726-F729 CarbonylContact O-C 3.54Å; H726-F729 PolarHBondContact O-N 3.12Å; H726-A730 WeakPolarHBondContact O-CB 3.15Å; H726-A730 PolarHBondContact O-N 3.06Å; H726-D758 PolarHBondContact CD2-O 3.25Å; H726-D758 IonicContact CE1-OD2 3.23Å; H726-D758 PolarHBondContact CE1-OD2 3.24Å; H726-D758 IonicContact NE2-OD1 2.85Å; H726-D758 IonicContact NE2-OD2 2.85Å; H726-D758 PolarHBondContact NE2-OD2 2.74Å
727	K	94.6	Very high	94.3	Very high	83 Å²	83	20.4 Å²	20.4	36%	0.361	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-31.3	-176.2	-73.5	176.5	-179	173.7	0	114.1	V735 R740 E743	K727-V735 HydrophobicContact CB-CG1 4.4Å; K727-R740 PolarHBondContact O-NH1 3Å; K727-E743 HydrophobicContact CB-CG 4.12Å
728	A	96.1	Very high	94.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-46.9	172.1	0	0	0	0	0	112.6	H726 R740 E743 M744 L747	H726-A728 PolarHBondContact O-N 3.42Å; A728-R740 WeakPolarHBondContact O-CG 3.4Å; A728-R740 PolarHBondContact O-NH1 3.5Å; A728-E743 HydrophobicContact CB-CB 4.18Å; A728-M744 HydrophobicContact CB-CG 3.88Å; A728-M744 WeakPolarHBondContact O-CE 3.45Å; A728-L747 HydrophobicContact CB-CD1 3.65Å
729	F	95.5	Very high	94.2	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-2.5	-171.8	-49.9	-64.9	0	0	0	115.4	A667 A668 L677 R681 M684 L723 H726 M744 L747	A667-F729 HydrophobicContact CB-CE1 3.64Å; A667-F729 HydrophobicContact CB-CE2 4.26Å; A667-F729 HydrophobicContact CB-CZ 3.49Å; A667-F729 VanDerWaalsContact CB-CZ 3.49Å; A668-F729 HydrophobicContact CB-CZ 4.06Å; L677-F729 HydrophobicContact CD1-CB 4.16Å; L677-F729 HydrophobicContact CD1-CD1 4.03Å; R681-F729 WeakPolarHBondContact CD-O 3.21Å; R681-F729 HydrophobicContact CG-CB 4.5Å; R681-F729 PolarHBondContact NH1-O 3.2Å; M684-F729 HydrophobicContact CE-CB 4.07Å; M684-F729 HydrophobicContact CE-CD1 4.24Å; M684-F729 HydrophobicContact CE-CD2 3.9Å; M684-F729 HydrophobicContact CE-CE2 4.42Å; M684-F729 HydrophobicContact CE-CG 3.8Å; M684-F729 HydrophobicContact SD-CD2 4.41Å; M684-F729 HydrophobicContact SD-CE2 4.48Å; L723-F729 HydrophobicContact CD2-CD2 4.33Å; L723-F729 HydrophobicContact CD2-CE2 4.1Å; H726-F729 CarbonylContact O-C 3.54Å; H726-F729 PolarHBondContact O-N 3.12Å; F729-M744 HydrophobicContact CD1-CE 4.46Å; F729-M744 HydrophobicContact CE1-CE 4.41Å; F729-L747 HydrophobicContact CD2-CD1 4.45Å; F729-L747 HydrophobicContact CE2-CD1 3.49Å; F729-L747 VanDerWaalsContact CE2-CD1 3.49Å; F729-L747 HydrophobicContact CZ-CD1 3.83Å
730	A	92.3	Very high	94.1	Very high	7 Å²	7	21.7 Å²	21.7	6%	0.058	13%	0.125	C	C	.	.			trans	-57.4	138.4	176.8	0	0	0	0	0	111	H726 R740	H726-A730 WeakPolarHBondContact O-CB 3.15Å; H726-A730 PolarHBondContact O-N 3.06Å; A730-R740 VanDerWaalsContact O-CZ 3.25Å; A730-R740 PolarHBondContact O-NH1 3.48Å; A730-R740 PolarHBondContact O-NH2 3.02Å
731	H	86.7	Confident	94.1	Very high	36 Å²	36	21.7 Å²	21.7	17%	0.167	13%	0.125	C	C	.	.			trans	-125.6	161.5	178.7	73.2	124.2	0	0	0	109.3	R681 T733 S884 T885	R681-H731 PolarHBondContact NH1-CD2 3.16Å; R681-H731 PolarHBondContact NH2-CD2 2.84Å; R681-H731 PolarHBondContact NH2-NE2 3.4Å; H731-T733 PolarHBondContact O-N 3.35Å; H731-T733 PolarHBondContact O-OG1 3.35Å; H731-S884 PolarHBondContact CE1-O 2.79Å; H731-S884 PolarHBondContact NE2-O 3.1Å; H731-S884 WeakPolarHBondContact O-CB 3.32Å; H731-S884 PolarHBondContact O-OG 3.07Å; H731-T885 PolarHBondContact NE2-OG1 3.03Å
732	G	85.2	Confident	94	Very high	38 Å²	38	22.2 Å²	22.2	39%	0.392	13%	0.127	S	C	.	.	S	Bend	trans	64.5	7.2	178.1	0	0	0	0	0	115	A476	A476-G732 WeakPolarHBondContact O-CA 3.44Å
733	T	86.9	Confident	94	Very high	46 Å²	46	22.8 Å²	22.8	28%	0.282	13%	0.13	S	C	.	.	S	Bend	trans	-126.4	139.1	-176.8	40.3	0	0	0	0	108.1	H731 V735	H731-T733 PolarHBondContact O-N 3.35Å; H731-T733 PolarHBondContact O-OG1 3.35Å; T733-V735 PolarHBondContact O-N 2.98Å; T733-V735 VanDerWaalsContact O-N 3.09Å
734	S	91.4	Very high	94.1	Very high	87 Å²	87	22.8 Å²	22.8	61%	0.608	13%	0.13	S	C	*	.			trans	-73	104.5	-176.8	-168.2	0	0	0	0	110.3	R475	R475-S734 WeakPolarHBondContact CB-OG 2.94Å
735	V	93.1	Very high	94.1	Very high	19 Å²	19	22.7 Å²	22.7	12%	0.115	13%	0.129	C	C	.	.			trans	-122.3	124.2	175.6	-175.1	0	0	0	0	108	K727 T733 L737 H739 R740	K727-V735 HydrophobicContact CB-CG1 4.4Å; T733-V735 PolarHBondContact O-N 2.98Å; T733-V735 VanDerWaalsContact O-N 3.09Å; V735-L737 PolarHBondContact O-N 3.21Å; V735-H739 HydrophobicContact CG1-CB 4.44Å; V735-R740 HydrophobicContact CG1-CB 4.09Å
736	K	94.6	Very high	94.1	Very high	53 Å²	53	22.1 Å²	22.1	23%	0.23	13%	0.127	C	C	.	.			trans	-55.2	137.1	172.9	-72.3	-177.6	171.2	-175.2	0	110.4	E470 D511 D738 H739 R740	E470-K736 WeakPolarHBondContact OE1-CA 3.37Å; D511-K736 VanDerWaalsContact CG-NZ 3.31Å; D511-K736 PolarHBondContact O-NZ 3.42Å; D511-K736 IonicContact OD2-NZ 2.7Å; D511-K736 PolarHBondContact OD2-NZ 2.91Å; K736-D738 VanDerWaalsContact C-N 3.33Å; K736-D738 PolarHBondContact O-N 3.39Å; K736-H739 HydrophobicContact CB-CB 4.28Å; K736-H739 WeakPolarHBondContact CD-NE2 3.42Å; K736-H739 PolarHBondContact O-N 3.31Å; K736-H739 VanDerWaalsContact O-N 3.16Å; K736-R740 PolarHBondContact O-N 3.45Å
737	L	94.6	Very high	94.2	Very high	10 Å²	10	21.9 Å²	21.9	5%	0.052	13%	0.126	C	C	.	.	H	α-helix	trans	-56	-47.8	-176.5	179.6	57.9	0	0	0	111.4	E470 V480 H482 M483 F513 V735 H739 R740 I741	E470-L737 HydrophobicContact CG-CB 4.17Å; E470-L737 PolarHBondContact OE1-N 3Å; V480-L737 HydrophobicContact CG1-CD1 4.22Å; H482-L737 HydrophobicContact CB-CD2 3.74Å; M483-L737 HydrophobicContact CG-CD1 4.26Å; F513-L737 HydrophobicContact CE2-CB 4.28Å; F513-L737 HydrophobicContact CE2-CD2 3.95Å; F513-L737 HydrophobicContact CE2-CG 4.37Å; F513-L737 HydrophobicContact CZ-CD2 4.3Å; V735-L737 PolarHBondContact O-N 3.21Å; L737-H739 VanDerWaalsContact C-N 3.33Å; L737-H739 PolarHBondContact O-N 2.84Å; L737-R740 WeakPolarHBondContact O-CB 3.4Å; L737-R740 PolarHBondContact O-N 3.21Å; L737-R740 VanDerWaalsContact O-N 3.12Å; L737-I741 HydrophobicContact CD1-CD1 4.43Å; L737-I741 HydrophobicContact CD1-CG1 4.03Å; L737-I741 HydrophobicContact CG-CG1 4.47Å; L737-I741 WeakPolarHBondContact O-CG1 3.41Å; L737-I741 PolarHBondContact O-N 3.23Å
738	D	96.2	Very high	94.3	Very high	7 Å²	7	19 Å²	19	4%	0.037	11%	0.113	C	C	.	.	H	α-helix	trans	-61.3	-39.1	179.9	-71.8	-20.6	0	0	0	113.1	F513 V514 D515 V516 K736 R740 I741 F742	F513-D738 VanDerWaalsContact CA-OD2 3.31Å; F513-D738 WeakPolarHBondContact CA-OD2 3.36Å; F513-D738 WeakPolarHBondContact CD2-OD2 3.4Å; F513-D738 WeakPolarHBondContact CE2-OD1 3.42Å; V514-D738 PolarHBondContact N-OD2 2.87Å; D515-D738 WeakPolarHBondContact CA-OD1 3.25Å; D515-D738 PolarHBondContact N-OD1 3.36Å; D515-D738 PolarHBondContact N-OD2 3.13Å; V516-D738 HydrophobicContact CB-CB 4.18Å; V516-D738 HydrophobicContact CG2-CB 3.59Å; V516-D738 PolarHBondContact N-OD1 3.48Å; K736-D738 VanDerWaalsContact C-N 3.33Å; K736-D738 PolarHBondContact O-N 3.39Å; D738-R740 PolarHBondContact O-N 3.45Å; D738-I741 PolarHBondContact O-N 2.89Å; D738-F742 VanDerWaalsContact O-CB 3.25Å; D738-F742 WeakPolarHBondContact O-CB 3.36Å; D738-F742 PolarHBondContact O-N 2.82Å
739	H	95.6	Very high	94.3	Very high	31 Å²	31	19.9 Å²	19.9	14%	0.144	12%	0.119	C	C	.	.	H	α-helix	trans	-64.6	-43.4	176.1	-66.5	-141.4	0	0	0	110.2	D511 H532 V735 K736 L737 I741 E743	D511-H739 IonicContact OD1-CE1 2.91Å; D511-H739 IonicContact OD1-NE2 3.16Å; H532-H739 AromaticContact CE1-CD2 3.51Å; H532-H739 AromaticContact CE1-NE2 3.58Å; V735-H739 HydrophobicContact CG1-CB 4.44Å; K736-H739 HydrophobicContact CB-CB 4.28Å; K736-H739 WeakPolarHBondContact CD-NE2 3.42Å; K736-H739 PolarHBondContact O-N 3.31Å; K736-H739 VanDerWaalsContact O-N 3.16Å; L737-H739 VanDerWaalsContact C-N 3.33Å; L737-H739 PolarHBondContact O-N 2.84Å; H739-I741 PolarHBondContact O-N 2.84Å; H739-E743 VanDerWaalsContact O-CG 3.23Å; H739-E743 WeakPolarHBondContact O-CG 3.47Å; H739-E743 PolarHBondContact O-N 3.2Å
740	R	95.9	Very high	94.3	Very high	2 Å²	2	21 Å²	21	1%	0.008	12%	0.124	C	C	.	.	H	α-helix	trans	-60.4	-45.7	178	179.4	-178.3	-62.2	-84.5	4.6	111.6	K727 A728 A730 V735 K736 L737 D738 E743 M744	K727-R740 PolarHBondContact O-NH1 3Å; A728-R740 WeakPolarHBondContact O-CG 3.4Å; A728-R740 PolarHBondContact O-NH1 3.5Å; A730-R740 VanDerWaalsContact O-CZ 3.25Å; A730-R740 PolarHBondContact O-NH1 3.48Å; A730-R740 PolarHBondContact O-NH2 3.02Å; V735-R740 HydrophobicContact CG1-CB 4.09Å; K736-R740 PolarHBondContact O-N 3.45Å; L737-R740 WeakPolarHBondContact O-CB 3.4Å; L737-R740 PolarHBondContact O-N 3.21Å; L737-R740 VanDerWaalsContact O-N 3.12Å; D738-R740 PolarHBondContact O-N 3.45Å; R740-E743 PolarHBondContact O-N 2.94Å; R740-M744 HydrophobicContact CG-CE 3.99Å; R740-M744 WeakPolarHBondContact O-CG 3.34Å; R740-M744 PolarHBondContact O-N 3.46Å
741	I	96.7	Very high	94.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-72.8	-39	-178	-59.8	-64.1	0	0	0	111.5	M483 V516 A517 M672 L737 D738 H739 E743 M744 C745	M483-I741 HydrophobicContact CB-CD1 3.83Å; M483-I741 HydrophobicContact CG-CD1 4.12Å; V516-I741 HydrophobicContact CB-CB 4.46Å; V516-I741 HydrophobicContact CB-CG2 4.39Å; V516-I741 HydrophobicContact CG1-CB 4.35Å; V516-I741 HydrophobicContact CG1-CG2 3.99Å; A517-I741 HydrophobicContact CB-CD1 4.47Å; A517-I741 HydrophobicContact CB-CG1 4.14Å; A517-I741 HydrophobicContact CB-CG2 4.36Å; M672-I741 HydrophobicContact CG-CD1 4.35Å; M672-I741 HydrophobicContact SD-CG2 4.14Å; L737-I741 HydrophobicContact CD1-CD1 4.43Å; L737-I741 HydrophobicContact CD1-CG1 4.03Å; L737-I741 HydrophobicContact CG-CG1 4.47Å; L737-I741 WeakPolarHBondContact O-CG1 3.41Å; L737-I741 PolarHBondContact O-N 3.23Å; D738-I741 PolarHBondContact O-N 2.89Å; H739-I741 PolarHBondContact O-N 2.84Å; I741-E743 VanDerWaalsContact C-N 3.31Å; I741-E743 PolarHBondContact O-N 2.82Å; I741-M744 HydrophobicContact CD1-SD 4.14Å; I741-M744 WeakPolarHBondContact O-CB 3.29Å; I741-M744 PolarHBondContact O-N 3Å; I741-C745 PolarHBondContact O-N 3.42Å; I741-C745 PolarHBondContact O-SG 2.82Å
742	F	97.3	Very high	94.8	Very high	12 Å²	12	20 Å²	20	5%	0.053	12%	0.119	C	C	.	.	H	α-helix	trans	-55.1	-48.1	170.6	171	-114.9	0	0	0	111	I530 H532 D738 M744 C745 N746	I530-F742 HydrophobicContact CG2-CD2 4.07Å; I530-F742 HydrophobicContact CG2-CE2 4.35Å; H532-F742 HydrophobicContact CB-CB 4.37Å; H532-F742 HydrophobicContact CB-CD1 3.6Å; H532-F742 HydrophobicContact CB-CD2 3.62Å; H532-F742 HydrophobicContact CB-CE1 3.63Å; H532-F742 HydrophobicContact CB-CE2 3.68Å; H532-F742 HydrophobicContact CB-CG 3.58Å; H532-F742 HydrophobicContact CB-CZ 3.66Å; H532-F742 VanDerWaalsContact N-CE2 3.27Å; H532-F742 VanDerWaalsContact N-CZ 3.32Å; D738-F742 VanDerWaalsContact O-CB 3.25Å; D738-F742 WeakPolarHBondContact O-CB 3.36Å; D738-F742 PolarHBondContact O-N 2.82Å; F742-M744 PolarHBondContact O-N 3.4Å; F742-C745 WeakPolarHBondContact O-CB 3.33Å; F742-C745 PolarHBondContact O-N 3.4Å; F742-C745 VanDerWaalsContact O-N 3.1Å; F742-N746 VanDerWaalsContact CD1-ND2 3.33Å; F742-N746 WeakPolarHBondContact CD1-ND2 3.33Å; F742-N746 WeakPolarHBondContact CD2-ND2 3.49Å; F742-N746 WeakPolarHBondContact CE1-ND2 3.32Å; F742-N746 WeakPolarHBondContact CE2-ND2 3.29Å; F742-N746 WeakPolarHBondContact CZ-ND2 3.45Å; F742-N746 PolarHBondContact O-N 3.15Å; F742-N746 PolarHBondContact O-ND2 2.93Å
743	E	97.3	Very high	95.2	Very high	13 Å²	13	22.7 Å²	22.7	6%	0.061	12%	0.121	C	C	.	.	H	α-helix	trans	-63.8	-39.8	177	-62	-69.2	-161.6	0	0	112.3	K727 A728 H739 R740 I741 C745 N746 L747 R798	K727-E743 HydrophobicContact CB-CG 4.12Å; A728-E743 HydrophobicContact CB-CB 4.18Å; H739-E743 VanDerWaalsContact O-CG 3.23Å; H739-E743 WeakPolarHBondContact O-CG 3.47Å; H739-E743 PolarHBondContact O-N 3.2Å; R740-E743 PolarHBondContact O-N 2.94Å; I741-E743 VanDerWaalsContact C-N 3.31Å; I741-E743 PolarHBondContact O-N 2.82Å; E743-C745 VanDerWaalsContact C-N 3.29Å; E743-C745 PolarHBondContact O-N 2.84Å; E743-N746 PolarHBondContact O-N 3.18Å; E743-N746 PolarHBondContact OE2-ND2 2.67Å; E743-L747 VanDerWaalsContact O-CG 3.31Å; E743-L747 WeakPolarHBondContact O-CG 3.31Å; E743-L747 PolarHBondContact O-N 3.42Å; E743-R798 IonicContact OE1-CZ 2.99Å; E743-R798 IonicContact OE1-NH1 3.21Å; E743-R798 PolarHBondContact OE1-NH1 2.96Å; E743-R798 VanDerWaalsContact OE1-NH1 3.1Å; E743-R798 IonicContact OE1-NH2 3.62Å; E743-R798 IonicContact OE2-CZ 3.72Å; E743-R798 VanDerWaalsContact OE2-CZ 3.28Å; E743-R798 IonicContact OE2-NH1 3.37Å; E743-R798 PolarHBondContact OE2-NH1 2.65Å; E743-R798 IonicContact OE2-NH2 3.46Å; E743-R798 PolarHBondContact OE2-NH2 3.43Å
744	M	97.6	Very high	95.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.2	-36.4	171.4	-71.8	-176	-176.5	0	0	113.1	M483 A668 C671 M672 A728 F729 R740 I741 F742	M483-M744 HydrophobicContact SD-CE 4.08Å; A668-M744 HydrophobicContact CB-CB 3.99Å; A668-M744 HydrophobicContact CB-CG 4.21Å; A668-M744 WeakPolarHBondContact CB-O 3.49Å; C671-M744 HydrophobicContact CB-CE 3.53Å; C671-M744 HydrophobicContact CB-SD 3.64Å; M672-M744 HydrophobicContact CE-CB 3.81Å; M672-M744 HydrophobicContact CG-CB 4.13Å; M672-M744 HydrophobicContact CG-SD 3.84Å; M672-M744 HydrophobicContact SD-CB 3.74Å; A728-M744 HydrophobicContact CB-CG 3.88Å; A728-M744 WeakPolarHBondContact O-CE 3.45Å; F729-M744 HydrophobicContact CD1-CE 4.46Å; F729-M744 HydrophobicContact CE1-CE 4.41Å; R740-M744 HydrophobicContact CG-CE 3.99Å; R740-M744 WeakPolarHBondContact O-CG 3.34Å; R740-M744 PolarHBondContact O-N 3.46Å; I741-M744 HydrophobicContact CD1-SD 4.14Å; I741-M744 WeakPolarHBondContact O-CB 3.29Å; I741-M744 PolarHBondContact O-N 3Å; F742-M744 PolarHBondContact O-N 3.4Å
745	C	97.2	Very high	95.8	Very high	2 Å²	2	18 Å²	18	1%	0.014	9%	0.085	C	C	.	.	H	α-helix	trans	-66.7	-44.1	174.3	-65.2	0	0	0	0	111.4	I530 I741 F742 E743 R748 T749	I530-C745 HydrophobicContact CD1-CB 4.02Å; I741-C745 PolarHBondContact O-N 3.42Å; I741-C745 PolarHBondContact O-SG 2.82Å; F742-C745 WeakPolarHBondContact O-CB 3.33Å; F742-C745 PolarHBondContact O-N 3.4Å; F742-C745 VanDerWaalsContact O-N 3.1Å; E743-C745 VanDerWaalsContact C-N 3.29Å; E743-C745 PolarHBondContact O-N 2.84Å; C745-R748 WeakPolarHBondContact O-CB 3.44Å; C745-R748 PolarHBondContact O-N 2.98Å; C745-R748 VanDerWaalsContact O-N 3.12Å; C745-T749 PolarHBondContact O-N 2.68Å; C745-T749 PolarHBondContact O-OG1 3.3Å
746	N	95.7	Very high	95.9	Very high	13 Å²	13	17.8 Å²	17.8	7%	0.07	8%	0.083	C	C	.	.	H	α-helix	trans	-62.5	-43	177.6	-67.6	-47.8	0	0	0	112.7	F742 E743 R748 T749 M750 R798	F742-N746 VanDerWaalsContact CD1-ND2 3.33Å; F742-N746 WeakPolarHBondContact CD1-ND2 3.33Å; F742-N746 WeakPolarHBondContact CD2-ND2 3.49Å; F742-N746 WeakPolarHBondContact CE1-ND2 3.32Å; F742-N746 WeakPolarHBondContact CE2-ND2 3.29Å; F742-N746 WeakPolarHBondContact CZ-ND2 3.45Å; F742-N746 PolarHBondContact O-N 3.15Å; F742-N746 PolarHBondContact O-ND2 2.93Å; E743-N746 PolarHBondContact O-N 3.18Å; E743-N746 PolarHBondContact OE2-ND2 2.67Å; N746-R748 PolarHBondContact O-N 3.15Å; N746-R748 VanDerWaalsContact O-N 3.08Å; N746-T749 PolarHBondContact O-N 2.93Å; N746-M750 HydrophobicContact CB-CE 4.26Å; N746-M750 HydrophobicContact CB-CG 4.23Å; N746-M750 HydrophobicContact CB-SD 4.1Å; N746-M750 WeakPolarHBondContact O-CB 3.45Å; N746-M750 VanDerWaalsContact O-CG 3.29Å; N746-M750 WeakPolarHBondContact O-CG 3.22Å; N746-M750 PolarHBondContact O-N 3.34Å; N746-R798 VanDerWaalsContact CG-NH2 3.3Å; N746-R798 PolarHBondContact ND2-NH2 3.41Å
747	L	97.2	Very high	96	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-56.9	-26.9	176.2	-66.9	177.6	0	0	0	112.2	A664 R665 A668 A728 F729 E743 L755 I759	A664-L747 HydrophobicContact CB-CD2 4.42Å; R665-L747 WeakPolarHBondContact CG-O 3.21Å; R665-L747 VanDerWaalsContact CZ-O 3.29Å; R665-L747 PolarHBondContact NE-O 3.46Å; A668-L747 HydrophobicContact CB-CB 4.29Å; A668-L747 HydrophobicContact CB-CD1 4.4Å; A728-L747 HydrophobicContact CB-CD1 3.65Å; F729-L747 HydrophobicContact CD2-CD1 4.45Å; F729-L747 HydrophobicContact CE2-CD1 3.49Å; F729-L747 VanDerWaalsContact CE2-CD1 3.49Å; F729-L747 HydrophobicContact CZ-CD1 3.83Å; E743-L747 VanDerWaalsContact O-CG 3.31Å; E743-L747 WeakPolarHBondContact O-CG 3.31Å; E743-L747 PolarHBondContact O-N 3.42Å; L747-L755 HydrophobicContact CB-CD1 4.48Å; L747-L755 HydrophobicContact CD2-CD1 3.38Å; L747-L755 HydrophobicContact CG-CD1 4.49Å; L747-I759 HydrophobicContact CD2-CD1 4.49Å; L747-I759 HydrophobicContact CD2-CG1 4.35Å
748	R	96.8	Very high	96.1	Very high	22 Å²	22	15.1 Å²	15.1	8%	0.083	7%	0.071	C	C	.	.	H	α-helix	trans	-75.2	-37.3	176	-69.5	169.5	82.9	-104.3	5.2	113.3	G581 R665 A668 D669 M672 C745 N746	G581-R748 VanDerWaalsContact O-CZ 3.29Å; G581-R748 PolarHBondContact O-NH1 2.83Å; G581-R748 PolarHBondContact O-NH2 2.64Å; R665-R748 PolarHBondContact NE-O 2.78Å; R665-R748 PolarHBondContact NH2-O 2.77Å; A668-R748 HydrophobicContact CB-CG 4.34Å; D669-R748 IonicContact OD1-CZ 3.71Å; D669-R748 VanDerWaalsContact OD1-CZ 3.23Å; D669-R748 IonicContact OD1-NE 2.72Å; D669-R748 PolarHBondContact OD1-NE 2.78Å; D669-R748 IonicContact OD1-NH2 2.7Å; D669-R748 PolarHBondContact OD1-NH2 2.84Å; M672-R748 HydrophobicContact CE-CG 4.4Å; C745-R748 WeakPolarHBondContact O-CB 3.44Å; C745-R748 PolarHBondContact O-N 2.98Å; C745-R748 VanDerWaalsContact O-N 3.12Å; N746-R748 PolarHBondContact O-N 3.15Å; N746-R748 VanDerWaalsContact O-N 3.08Å
749	T	96.4	Very high	96.1	Very high	19 Å²	19	14.8 Å²	14.8	12%	0.117	7%	0.069	C	C	.	.	H	α-helix	trans	-108.6	-18.6	-169.6	54.3	0	0	0	0	115.6	N582 A601 C745 N746	N582-T749 HydrophobicContact CB-CG2 4.1Å; N582-T749 WeakPolarHBondContact OD1-CG2 3.06Å; A601-T749 PolarHBondContact N-O 3.35Å; A601-T749 CarbonylContact O-C 3.56Å; A601-T749 WeakPolarHBondContact O-CA 3.5Å; A601-T749 VanDerWaalsContact O-O 3.12Å; C745-T749 PolarHBondContact O-N 2.68Å; C745-T749 PolarHBondContact O-OG1 3.3Å; N746-T749 PolarHBondContact O-N 2.93Å
750	M	95.4	Very high	96.2	Very high	24 Å²	24	13.8 Å²	13.8	12%	0.118	6%	0.064	C	C	.	.			trans	-64.3	132.2	-174.3	-84	-178.9	153.7	0	0	113.7	R665 N746 L755 D758 R798	R665-M750 PolarHBondContact NH2-O 3.13Å; N746-M750 HydrophobicContact CB-CE 4.26Å; N746-M750 HydrophobicContact CB-CG 4.23Å; N746-M750 HydrophobicContact CB-SD 4.1Å; N746-M750 WeakPolarHBondContact O-CB 3.45Å; N746-M750 VanDerWaalsContact O-CG 3.29Å; N746-M750 WeakPolarHBondContact O-CG 3.22Å; N746-M750 PolarHBondContact O-N 3.34Å; M750-L755 HydrophobicContact CB-CB 4Å; M750-L755 HydrophobicContact CB-CD1 4.29Å; M750-L755 HydrophobicContact SD-CD1 4.41Å; M750-D758 HydrophobicContact SD-CB 4.37Å; M750-R798 VanDerWaalsContact CE-CZ 3.47Å; M750-R798 VanDerWaalsContact CE-NH2 3.3Å
751	P	95.3	Very high	96.2	Very high	11 Å²	11	13.7 Å²	13.7	7%	0.071	6%	0.064	C	C	.	.			trans	-55.6	145	167.1	-24.1	33.8	0	0	0	111.8	D599 A601 F753 Y754 L755	D599-P751 WeakPolarHBondContact O-CD 2.91Å; D599-P751 WeakPolarHBondContact O-CG 3.31Å; A601-P751 HydrophobicContact CB-CB 4.35Å; A601-P751 HydrophobicContact CB-CG 4.37Å; P751-F753 VanDerWaalsContact C-N 3.27Å; P751-F753 PolarHBondContact O-N 3.23Å; P751-F753 VanDerWaalsContact O-N 3.11Å; P751-Y754 HydrophobicContact CB-CD2 4.01Å; P751-Y754 HydrophobicContact CG-CD2 4.12Å; P751-Y754 PolarHBondContact O-N 3.18Å; P751-Y754 VanDerWaalsContact O-N 3.09Å; P751-L755 PolarHBondContact O-N 2.87Å
752	L	95.1	Very high	96.2	Very high	10 Å²	10	15 Å²	15	5%	0.052	7%	0.071	C	C	.	.	H	α-helix	trans	-52.2	-41.2	-167.9	-178.8	59	0	0	0	113.9	R205 I228 Q657 A661 L755 M756	R205-L752 VanDerWaalsContact CZ-CD2 3.48Å; R205-L752 VanDerWaalsContact NH1-CD2 3.34Å; I228-L752 HydrophobicContact CG2-CB 4.34Å; Q657-L752 HydrophobicContact CB-CD1 4.39Å; A661-L752 HydrophobicContact CB-CD1 3.37Å; L752-L755 PolarHBondContact O-N 3.37Å; L752-M756 HydrophobicContact CD1-CG 4.33Å; L752-M756 WeakPolarHBondContact O-CG 3.33Å; L752-M756 PolarHBondContact O-N 2.74Å
753	F	93.1	Very high	96.2	Very high	96 Å²	96	14.5 Å²	14.5	42%	0.421	7%	0.069	S	C	.	.	H	α-helix	trans	-59.1	-52.2	178.5	178.1	-100.3	0	0	0	112.6	P751 M756 L757	P751-F753 VanDerWaalsContact C-N 3.27Å; P751-F753 PolarHBondContact O-N 3.23Å; P751-F753 VanDerWaalsContact O-N 3.11Å; F753-M756 PolarHBondContact O-N 2.83Å; F753-L757 HydrophobicContact CD1-CD1 4.19Å; F753-L757 HydrophobicContact CE1-CD1 3.62Å; F753-L757 HydrophobicContact CZ-CD1 3.84Å; F753-L757 PolarHBondContact O-N 2.82Å
754	Y	94.2	Very high	96.2	Very high	33 Å²	33	14.5 Å²	14.5	13%	0.129	7%	0.068	C	C	.	.	H	α-helix	trans	-67.8	-37.3	179.9	-60.3	-62.1	0	0	0	112.5	P751 M756 L757 D758 R854 P855	P751-Y754 HydrophobicContact CB-CD2 4.01Å; P751-Y754 HydrophobicContact CG-CD2 4.12Å; P751-Y754 PolarHBondContact O-N 3.18Å; P751-Y754 VanDerWaalsContact O-N 3.09Å; Y754-M756 VanDerWaalsContact C-N 3.29Å; Y754-M756 PolarHBondContact O-N 3.11Å; Y754-L757 PolarHBondContact O-N 2.89Å; Y754-D758 PolarHBondContact O-N 2.8Å; Y754-R854 HydrophobicContact CE1-CB 4.35Å; Y754-R854 HydrophobicContact CE1-CG 3.99Å; Y754-P855 WeakPolarHBondContact OH-CD 3.49Å
755	L	95.9	Very high	96.1	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60	-40.7	176.3	-178.2	63.8	0	0	0	112	A661 L747 M750 P751 L752 D758 I759	A661-L755 HydrophobicContact CB-CD2 3.57Å; L747-L755 HydrophobicContact CB-CD1 4.48Å; L747-L755 HydrophobicContact CD2-CD1 3.38Å; L747-L755 HydrophobicContact CG-CD1 4.49Å; M750-L755 HydrophobicContact CB-CB 4Å; M750-L755 HydrophobicContact CB-CD1 4.29Å; M750-L755 HydrophobicContact SD-CD1 4.41Å; P751-L755 PolarHBondContact O-N 2.87Å; L752-L755 PolarHBondContact O-N 3.37Å; L755-D758 PolarHBondContact O-N 2.91Å; L755-I759 HydrophobicContact CD1-CD1 3.96Å; L755-I759 HydrophobicContact CD1-CG1 4.44Å; L755-I759 HydrophobicContact CG-CD1 3.9Å; L755-I759 WeakPolarHBondContact O-CD1 3.48Å; L755-I759 VanDerWaalsContact O-CG1 3.25Å; L755-I759 WeakPolarHBondContact O-CG1 3.21Å; L755-I759 PolarHBondContact O-N 3.15Å
756	M	96.6	Very high	95.9	Very high	16 Å²	16	15.1 Å²	15.1	8%	0.079	7%	0.072	C	C	.	.	H	α-helix	trans	-66.7	-39.8	176.3	-70.2	-52.2	-48.7	0	0	111.9	Q657 I660 Y719 L752 F753 Y754 D758 I759 Y760	Q657-M756 HydrophobicContact CB-CG 4.14Å; Q657-M756 HydrophobicContact CB-SD 3.98Å; Q657-M756 HydrophobicContact CG-CE 4.24Å; Q657-M756 HydrophobicContact CG-CG 4.03Å; Q657-M756 HydrophobicContact CG-SD 4.07Å; I660-M756 HydrophobicContact CG2-CE 4.44Å; I660-M756 HydrophobicContact CG2-SD 4.13Å; Y719-M756 HydrophobicContact CD1-CE 4.04Å; Y719-M756 HydrophobicContact CD2-CE 3.78Å; Y719-M756 HydrophobicContact CE1-CE 3.83Å; Y719-M756 HydrophobicContact CE2-CE 3.55Å; Y719-M756 HydrophobicContact CG-CE 4.01Å; L752-M756 HydrophobicContact CD1-CG 4.33Å; L752-M756 WeakPolarHBondContact O-CG 3.33Å; L752-M756 PolarHBondContact O-N 2.74Å; F753-M756 PolarHBondContact O-N 2.83Å; Y754-M756 VanDerWaalsContact C-N 3.29Å; Y754-M756 PolarHBondContact O-N 3.11Å; M756-D758 VanDerWaalsContact C-N 3.35Å; M756-I759 PolarHBondContact O-N 2.91Å; M756-Y760 CarbonylContact O-C 3.45Å; M756-Y760 PolarHBondContact O-N 2.92Å
757	L	95.7	Very high	95.7	Very high	5 Å²	5	17 Å²	17	3%	0.026	8%	0.08	C	C	.	.	H	α-helix	trans	-66.7	-32	175.8	-66.8	174.3	0	0	0	113.4	F753 Y754 P761 N762	F753-L757 HydrophobicContact CD1-CD1 4.19Å; F753-L757 HydrophobicContact CE1-CD1 3.62Å; F753-L757 HydrophobicContact CZ-CD1 3.84Å; F753-L757 PolarHBondContact O-N 2.82Å; Y754-L757 PolarHBondContact O-N 2.89Å; L757-P761 WeakPolarHBondContact O-CA 3.34Å; L757-P761 WeakPolarHBondContact O-CD 3.46Å; L757-P761 WeakPolarHBondContact O-CG 3.23Å; L757-N762 HydrophobicContact CD2-CB 4.34Å; L757-N762 WeakPolarHBondContact CD2-ND2 3.31Å
758	D	95.9	Very high	95.2	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-76.6	-33.6	176.8	-168.5	44.5	0	0	0	112.2	H726 M750 Y754 L755 M756 R798 R876	H726-D758 PolarHBondContact CD2-O 3.25Å; H726-D758 IonicContact CE1-OD2 3.23Å; H726-D758 PolarHBondContact CE1-OD2 3.24Å; H726-D758 IonicContact NE2-OD1 2.85Å; H726-D758 IonicContact NE2-OD2 2.85Å; H726-D758 PolarHBondContact NE2-OD2 2.74Å; M750-D758 HydrophobicContact SD-CB 4.37Å; Y754-D758 PolarHBondContact O-N 2.8Å; L755-D758 PolarHBondContact O-N 2.91Å; M756-D758 VanDerWaalsContact C-N 3.35Å; D758-R798 IonicContact OD1-CZ 3.65Å; D758-R798 IonicContact OD1-NH1 2.7Å; D758-R798 PolarHBondContact OD1-NH1 2.66Å; D758-R798 IonicContact OD2-CZ 3.77Å; D758-R798 IonicContact OD2-NH1 3.74Å; D758-R798 PolarHBondContact OD2-NH1 2.79Å; D758-R798 VanDerWaalsContact OD2-NH1 3.12Å; D758-R798 IonicContact OD2-NH2 2.77Å; D758-R876 PolarHBondContact O-NH1 2.84Å; D758-R876 IonicContact OD1-CZ 2.73Å; D758-R876 IonicContact OD1-NH1 2.74Å; D758-R876 IonicContact OD1-NH2 2.81Å; D758-R876 PolarHBondContact OD1-NH2 2.64Å
759	I	97.2	Very high	94.7	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-75.2	-51.4	174.9	-66.5	167.2	0	0	0	111	I660 A664 A722 L723 L747 L755 M756	I660-I759 HydrophobicContact CG2-CD1 3.83Å; A664-I759 HydrophobicContact CB-CD1 4.41Å; A722-I759 HydrophobicContact CB-CG2 3.84Å; A722-I759 WeakPolarHBondContact CB-O 3.45Å; L723-I759 HydrophobicContact CD2-CD1 3.71Å; L723-I759 HydrophobicContact CD2-CG1 3.81Å; L723-I759 HydrophobicContact CD2-CG2 4.22Å; L723-I759 HydrophobicContact CG-CD1 4.3Å; L723-I759 HydrophobicContact CG-CG1 4.5Å; L723-I759 HydrophobicContact CG-CG2 4.04Å; L747-I759 HydrophobicContact CD2-CD1 4.49Å; L747-I759 HydrophobicContact CD2-CG1 4.35Å; L755-I759 HydrophobicContact CD1-CD1 3.96Å; L755-I759 HydrophobicContact CD1-CG1 4.44Å; L755-I759 HydrophobicContact CG-CD1 3.9Å; L755-I759 WeakPolarHBondContact O-CD1 3.48Å; L755-I759 VanDerWaalsContact O-CG1 3.25Å; L755-I759 WeakPolarHBondContact O-CG1 3.21Å; L755-I759 PolarHBondContact O-N 3.15Å; M756-I759 PolarHBondContact O-N 2.91Å
760	Y	97.3	Very high	94	Very high	9 Å²	9	21.6 Å²	21.6	4%	0.035	12%	0.116	C	C	.	.	S	Bend	trans	-135.2	91.9	-177.6	-170.2	-80.8	0	0	0	108.9	L176 L718 Y719 A722 M756 L781 V878 E879	L176-Y760 HydrophobicContact CD1-CE1 3.83Å; L176-Y760 HydrophobicContact CD2-CE1 4.09Å; L718-Y760 HydrophobicContact CD1-CE2 3.96Å; L718-Y760 HydrophobicContact CD2-CE2 3.82Å; L718-Y760 HydrophobicContact CG-CD2 4.3Å; L718-Y760 HydrophobicContact CG-CE2 3.85Å; Y719-Y760 HydrophobicContact CD1-CD2 4.17Å; Y719-Y760 HydrophobicContact CD1-CG 4.06Å; Y719-Y760 HydrophobicContact CE1-CD1 4.12Å; Y719-Y760 HydrophobicContact CE1-CD2 4.22Å; Y719-Y760 AromaticContact CE1-CG 3.79Å; Y719-Y760 HydrophobicContact CE1-CG 3.79Å; A722-Y760 HydrophobicContact CB-CD2 4.29Å; M756-Y760 CarbonylContact O-C 3.45Å; M756-Y760 PolarHBondContact O-N 2.92Å; Y760-L781 HydrophobicContact CD1-CD1 3.81Å; Y760-L781 HydrophobicContact CD1-CG 4.4Å; Y760-L781 HydrophobicContact CD2-CD1 3.71Å; Y760-L781 HydrophobicContact CE1-CD1 3.79Å; Y760-L781 HydrophobicContact CE1-CG 3.89Å; Y760-L781 HydrophobicContact CE2-CB 4.18Å; Y760-L781 HydrophobicContact CE2-CD1 3.68Å; Y760-L781 HydrophobicContact CE2-CG 4Å; Y760-L781 HydrophobicContact CG-CD1 3.76Å; Y760-L781 PolarHBondContact OH-N 3.27Å; Y760-V878 HydrophobicContact CD2-CG2 3.63Å; Y760-V878 HydrophobicContact CE2-CG2 3.83Å; Y760-E879 PolarHBondContact OH-OE1 3.49Å
761	P	96.7	Very high	93.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.137	C	C	.	.			trans	-53.5	156.6	176.2	-30.9	36.8	0	0	0	114.5	L757 L781 M794 D795 T796 R876	L757-P761 WeakPolarHBondContact O-CA 3.34Å; L757-P761 WeakPolarHBondContact O-CD 3.46Å; L757-P761 WeakPolarHBondContact O-CG 3.23Å; P761-L781 HydrophobicContact CB-CD1 4.34Å; P761-L781 HydrophobicContact CG-CD1 4.49Å; P761-L781 WeakPolarHBondContact O-CD1 3.5Å; P761-M794 HydrophobicContact CB-CG 3.75Å; P761-M794 HydrophobicContact CB-SD 4.18Å; P761-M794 HydrophobicContact CG-SD 4.41Å; P761-D795 VanDerWaalsContact CA-O 3.32Å; P761-D795 WeakPolarHBondContact CA-O 3.4Å; P761-D795 WeakPolarHBondContact CB-O 3.45Å; P761-T796 HydrophobicContact CB-CG2 4.17Å; P761-T796 HydrophobicContact CG-CG2 3.95Å; P761-R876 HydrophobicContact CG-CB 4.41Å
762	N	96.2	Very high	92.9	Very high	29 Å²	29	29 Å²	29	16%	0.155	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	135.4	167.7	-74.8	-26	0	0	0	109.7	L757 Y764 L778 M794 D795	L757-N762 HydrophobicContact CD2-CB 4.34Å; L757-N762 WeakPolarHBondContact CD2-ND2 3.31Å; N762-Y764 HydrophobicContact CB-CE2 3.66Å; N762-Y764 PolarHBondContact ND2-OH 2.82Å; N762-L778 HydrophobicContact CB-CD2 3.52Å; N762-M794 CarbonylContact O-C 3.46Å; N762-M794 WeakPolarHBondContact O-CA 3.31Å; N762-D795 HydrophobicContact CB-CB 4.24Å; N762-D795 PolarHBondContact N-O 2.82Å; N762-D795 PolarHBondContact O-N 3.41Å
763	L	97.4	Very high	92.3	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	126.8	176.6	-178.8	67	0	0	0	110.4	L778 L779 L781 Y792 M794 F873 L877	L763-L778 WeakPolarHBondContact O-CA 3.38Å; L763-L779 HydrophobicContact CB-CB 4.34Å; L763-L779 HydrophobicContact CD2-CB 4.1Å; L763-L779 HydrophobicContact CG-CB 4.21Å; L763-L779 HydrophobicContact CG-CD1 4.45Å; L763-L779 PolarHBondContact O-N 2.79Å; L763-L781 HydrophobicContact CB-CD2 3.72Å; L763-L781 HydrophobicContact CD2-CD2 4.38Å; L763-Y792 HydrophobicContact CD1-CD1 4.5Å; L763-M794 HydrophobicContact CD1-CB 4Å; L763-M794 HydrophobicContact CD1-CE 4.46Å; L763-F873 HydrophobicContact CD1-CE2 3.81Å; L763-F873 HydrophobicContact CD1-CZ 3.94Å; L763-L877 HydrophobicContact CD2-CD2 4.38Å
764	Y	96.5	Very high	91.9	Very high	13 Å²	13	33.6 Å²	33.6	5%	0.051	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	132.2	-175.4	-55.4	-78.4	0	0	0	111.5	N762 I766 P776 L778 Y792 L793 D795 F846 L850	N762-Y764 HydrophobicContact CB-CE2 3.66Å; N762-Y764 PolarHBondContact ND2-OH 2.82Å; Y764-I766 PolarHBondContact O-N 3.3Å; Y764-P776 HydrophobicContact CD1-CB 4.38Å; Y764-P776 HydrophobicContact CD1-CG 3.78Å; Y764-P776 HydrophobicContact CG-CG 4.05Å; Y764-L778 HydrophobicContact CD1-CD2 3.95Å; Y764-L778 HydrophobicContact CE1-CD2 3.32Å; Y764-L778 HydrophobicContact CE1-CG 4.16Å; Y764-L778 HydrophobicContact CE2-CD2 4.47Å; Y764-Y792 WeakPolarHBondContact O-CA 3.45Å; Y764-L793 WeakPolarHBondContact CD2-O 3.29Å; Y764-L793 PolarHBondContact N-O 3.35Å; Y764-L793 PolarHBondContact O-N 2.98Å; Y764-D795 HydrophobicContact CE2-CB 4.14Å; Y764-F846 HydrophobicContact CD1-CE1 4.16Å; Y764-F846 AromaticContact CD1-CZ 3.83Å; Y764-F846 HydrophobicContact CD1-CZ 3.83Å; Y764-F846 AromaticContact CD2-CE1 3.82Å; Y764-F846 HydrophobicContact CD2-CE1 3.82Å; Y764-F846 HydrophobicContact CD2-CZ 4.03Å; Y764-F846 HydrophobicContact CE1-CE1 4.48Å; Y764-F846 AromaticContact CE1-CZ 3.78Å; Y764-F846 HydrophobicContact CE1-CZ 3.78Å; Y764-F846 HydrophobicContact CE2-CE1 4.18Å; Y764-F846 HydrophobicContact CE2-CZ 4Å; Y764-F846 AromaticContact CG-CE1 3.8Å; Y764-F846 HydrophobicContact CG-CE1 3.8Å; Y764-F846 AromaticContact CG-CZ 3.94Å; Y764-F846 HydrophobicContact CG-CZ 3.94Å; Y764-F846 AromaticContact CZ-CZ 3.87Å; Y764-L850 HydrophobicContact CE2-CD1 4.1Å; Y764-L850 HydrophobicContact CE2-CD2 4.47Å
765	P	96	Very high	91.7	Very high	13 Å²	13	38.2 Å²	38.2	8%	0.084	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	106.7	168.8	31.1	-27	0	0	0	108.6	S768 P777 L779 Y792	P765-S768 PolarHBondContact O-OG 3.46Å; P765-P777 WeakPolarHBondContact CD-O 3.44Å; P765-P777 HydrophobicContact CG-CG 4.13Å; P765-L779 HydrophobicContact CB-CD1 4Å; P765-L779 HydrophobicContact CG-CD1 3.91Å; P765-L779 HydrophobicContact CG-CD2 4.49Å; P765-L779 HydrophobicContact CG-CG 4.24Å; P765-Y792 HydrophobicContact CB-CD1 4.35Å; P765-Y792 HydrophobicContact CB-CE1 4.15Å
766	I	93.7	Very high	91.5	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	21%	0.206	C	C	.	.			trans	-99.1	-8.1	-176.4	63.6	147.5	0	0	0	113.4	Y764 S768 F769 I791 L793 L802 V843 F846	Y764-I766 PolarHBondContact O-N 3.3Å; I766-S768 PolarHBondContact O-N 2.99Å; I766-F769 HydrophobicContact CB-CD2 4.11Å; I766-F769 HydrophobicContact CB-CE2 3.7Å; I766-F769 HydrophobicContact CG2-CE2 3.85Å; I766-F769 HydrophobicContact CG2-CZ 4.32Å; I766-F769 WeakPolarHBondContact O-CD2 3.38Å; I766-I791 HydrophobicContact CD1-CB 4.48Å; I766-I791 HydrophobicContact CD1-CG2 3.77Å; I766-I791 HydrophobicContact CG1-CB 4.18Å; I766-I791 HydrophobicContact CG1-CG2 3.89Å; I766-I791 WeakPolarHBondContact CG1-O 3.38Å; I766-I791 PolarHBondContact N-O 3.13Å; I766-I791 VanDerWaalsContact N-O 3.11Å; I766-L793 HydrophobicContact CG2-CB 3.67Å; I766-L793 HydrophobicContact CG2-CD2 4.46Å; I766-L802 HydrophobicContact CD1-CD1 3.43Å; I766-L802 VanDerWaalsContact CD1-CD1 3.43Å; I766-L802 HydrophobicContact CG1-CD1 4.42Å; I766-V843 HydrophobicContact CB-CG2 4.28Å; I766-V843 HydrophobicContact CD1-CB 4.5Å; I766-V843 HydrophobicContact CD1-CG1 3.71Å; I766-V843 HydrophobicContact CD1-CG2 3.86Å; I766-F846 HydrophobicContact CG2-CD1 4.48Å
767	H	91.1	Very high	91.4	Very high	53 Å²	53	40.5 Å²	40.5	25%	0.245	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-14.6	175.9	57.9	-83.7	0	0	0	113.3	I791 Y792 L812	H767-I791 HydrophobicContact CB-CB 4.09Å; H767-I791 HydrophobicContact CB-CG1 4.38Å; H767-I791 PolarHBondContact N-O 3.14Å; H767-I791 PolarHBondContact ND1-N 3.01Å; H767-I791 VanDerWaalsContact ND1-N 3.13Å; H767-I791 PolarHBondContact ND1-O 2.61Å; H767-Y792 AromaticContact CE1-CE1 3.93Å; H767-Y792 AromaticContact CE1-CZ 3.65Å; H767-L812 HydrophobicContact CB-CD1 4.24Å
768	S	86.6	Confident	91.4	Very high	59 Å²	59	41 Å²	41	41%	0.413	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	1.6	-177.6	58	0	0	0	0	114.5	P765 I766 S770	P765-S768 PolarHBondContact O-OG 3.46Å; I766-S768 PolarHBondContact O-N 2.99Å; S768-S770 PolarHBondContact O-N 3.33Å
769	F	86.4	Confident	91.4	Very high	6 Å²	6	42.8 Å²	42.8	3%	0.026	23%	0.233	C	C	.	.			trans	-59.5	121.3	-177.8	-76.6	-50.4	0	0	0	112.3	I766 E774 P776 A842 V843 F846	I766-F769 HydrophobicContact CB-CD2 4.11Å; I766-F769 HydrophobicContact CB-CE2 3.7Å; I766-F769 HydrophobicContact CG2-CE2 3.85Å; I766-F769 HydrophobicContact CG2-CZ 4.32Å; I766-F769 WeakPolarHBondContact O-CD2 3.38Å; F769-E774 HydrophobicContact CD1-CB 3.97Å; F769-E774 HydrophobicContact CD1-CG 4.08Å; F769-E774 HydrophobicContact CE1-CB 4.32Å; F769-E774 HydrophobicContact CE1-CG 4.39Å; F769-E774 VanDerWaalsContact CE1-O 3.23Å; F769-E774 WeakPolarHBondContact CE1-O 3.41Å; F769-P776 HydrophobicContact CE1-CB 4.01Å; F769-P776 HydrophobicContact CE1-CG 3.97Å; F769-P776 HydrophobicContact CZ-CB 4.07Å; F769-P776 HydrophobicContact CZ-CG 3.68Å; F769-A842 HydrophobicContact CB-CB 4.03Å; F769-A842 HydrophobicContact CD1-CB 4.45Å; F769-A842 HydrophobicContact CD2-CB 4.04Å; F769-A842 HydrophobicContact CG-CB 3.95Å; F769-V843 HydrophobicContact CD2-CG2 3.65Å; F769-V843 HydrophobicContact CE2-CG2 3.88Å; F769-F846 HydrophobicContact CZ-CB 4.16Å; F769-F846 HydrophobicContact CZ-CD1 4.15Å; F769-F846 HydrophobicContact CZ-CG 4.14Å
770	S	81.1	Confident	91.3	Very high	72 Å²	72	43.6 Å²	43.6	50%	0.503	24%	0.239	S	C	.	.			trans	-100.8	-28.9	176.9	65	0	0	0	0	112.6	S768 E774	S768-S770 PolarHBondContact O-N 3.33Å; S770-E774 WeakPolarHBondContact CB-OE2 3.49Å; S770-E774 PolarHBondContact N-OE2 3.15Å; S770-E774 PolarHBondContact OG-OE2 2.87Å
771	N	86.1	Confident	91.2	Very high	105 Å²	105	43.1 Å²	43.1	56%	0.561	24%	0.237	S	C	*	.	S	Bend	trans	-141.6	157.1	-174.9	-64.2	-73.7	0	0	0	111.2	D773 E774	N771-D773 VanDerWaalsContact C-N 3.3Å; N771-D773 PolarHBondContact O-N 3.43Å; N771-E774 WeakPolarHBondContact O-CB 3.35Å; N771-E774 PolarHBondContact O-N 3.38Å
772	E	82	Confident	91.2	Very high	85 Å²	85	43.9 Å²	43.9	40%	0.397	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-14.8	-177.3	-59	-174.7	179.8	0	0	115.2	V838 V841 K845	E772-V838 HydrophobicContact CG-CG1 4.13Å; E772-V841 VanDerWaalsContact CD-CG1 3.45Å; E772-V841 HydrophobicContact CG-CB 4.39Å; E772-V841 HydrophobicContact CG-CG1 4.05Å; E772-K845 WeakPolarHBondContact O-CD 3.43Å; E772-K845 VanDerWaalsContact O-CE 3.32Å; E772-K845 WeakPolarHBondContact O-CE 3.37Å; E772-K845 PolarHBondContact O-NZ 3.36Å
773	D	83.5	Confident	91.1	Very high	136 Å²	136	46 Å²	46	73%	0.727	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	4.7	179.1	-68	-52.8	0	0	0	113.1	N771 K845	N771-D773 VanDerWaalsContact C-N 3.3Å; N771-D773 PolarHBondContact O-N 3.43Å; D773-K845 IonicContact OD1-NZ 2.65Å; D773-K845 PolarHBondContact OD1-NZ 3.04Å
774	E	84.7	Confident	91	Very high	67 Å²	67	53.2 Å²	53.2	31%	0.313	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-71.1	130.5	178.9	-175	170.4	-175.2	0	0	110.5	F769 S770 N771	F769-E774 HydrophobicContact CD1-CB 3.97Å; F769-E774 HydrophobicContact CD1-CG 4.08Å; F769-E774 HydrophobicContact CE1-CB 4.32Å; F769-E774 HydrophobicContact CE1-CG 4.39Å; F769-E774 VanDerWaalsContact CE1-O 3.23Å; F769-E774 WeakPolarHBondContact CE1-O 3.41Å; S770-E774 WeakPolarHBondContact CB-OE2 3.49Å; S770-E774 PolarHBondContact N-OE2 3.15Å; S770-E774 PolarHBondContact OG-OE2 2.87Å; N771-E774 WeakPolarHBondContact O-CB 3.35Å; N771-E774 PolarHBondContact O-N 3.38Å
775	I	88.2	Confident	90.9	Very high	130 Å²	130	55.4 Å²	55.4	67%	0.667	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-100.9	119.9	172.5	-63	174.1	0	0	0	107.1	F846	I775-F846 HydrophobicContact CG2-CE2 4.46Å
776	P	92.7	Very high	90.8	Very high	4 Å²	4	55.4 Å²	55.4	3%	0.026	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-72.9	144.2	-175.5	31.3	-32.5	0	0	0	110.4	Y764 F769 F846	Y764-P776 HydrophobicContact CD1-CB 4.38Å; Y764-P776 HydrophobicContact CD1-CG 3.78Å; Y764-P776 HydrophobicContact CG-CG 4.05Å; F769-P776 HydrophobicContact CE1-CB 4.01Å; F769-P776 HydrophobicContact CE1-CG 3.97Å; F769-P776 HydrophobicContact CZ-CB 4.07Å; F769-P776 HydrophobicContact CZ-CG 3.68Å; P776-F846 HydrophobicContact CG-CD1 3.98Å; P776-F846 HydrophobicContact CG-CD2 4.44Å; P776-F846 HydrophobicContact CG-CE1 3.45Å; P776-F846 VanDerWaalsContact CG-CE1 3.45Å; P776-F846 HydrophobicContact CG-CE2 3.99Å; P776-F846 HydrophobicContact CG-CG 4.45Å; P776-F846 HydrophobicContact CG-CZ 3.47Å; P776-F846 VanDerWaalsContact CG-CZ 3.47Å
777	P	94.3	Very high	90.9	Very high	60 Å²	60	59.2 Å²	59.2	39%	0.39	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-69.4	150.5	179.1	29.9	-35.5	0	0	0	111.5	P765	P765-P777 WeakPolarHBondContact CD-O 3.44Å; P765-P777 HydrophobicContact CG-CG 4.13Å
778	L	95.2	Very high	91.1	Very high	16 Å²	16	64 Å²	64	8%	0.084	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-69.3	136.4	167.1	-68.3	176.3	0	0	0	111.1	L176 S178 T179 P180 N762 L763 Y764	L176-L778 HydrophobicContact CD2-CB 4.49Å; S178-L778 PolarHBondContact O-N 2.67Å; T179-L778 VanDerWaalsContact C-CD1 3.47Å; P180-L778 HydrophobicContact CG-CD1 4.41Å; N762-L778 HydrophobicContact CB-CD2 3.52Å; L763-L778 WeakPolarHBondContact O-CA 3.38Å; Y764-L778 HydrophobicContact CD1-CD2 3.95Å; Y764-L778 HydrophobicContact CE1-CD2 3.32Å; Y764-L778 HydrophobicContact CE1-CG 4.16Å; Y764-L778 HydrophobicContact CE2-CD2 4.47Å
779	L	95.6	Very high	91.6	Very high	38 Å²	38	65.4 Å²	65.4	20%	0.199	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-106.4	150	172.1	-61	174.3	0	0	0	111	L763 P765 K785 Y792	L763-L779 HydrophobicContact CB-CB 4.34Å; L763-L779 HydrophobicContact CD2-CB 4.1Å; L763-L779 HydrophobicContact CG-CB 4.21Å; L763-L779 HydrophobicContact CG-CD1 4.45Å; L763-L779 PolarHBondContact O-N 2.79Å; P765-L779 HydrophobicContact CB-CD1 4Å; P765-L779 HydrophobicContact CG-CD1 3.91Å; P765-L779 HydrophobicContact CG-CD2 4.49Å; P765-L779 HydrophobicContact CG-CG 4.24Å; L779-K785 HydrophobicContact CB-CB 4.34Å; L779-K785 HydrophobicContact CD1-CB 4.36Å; L779-Y792 HydrophobicContact CD1-CD1 3.96Å; L779-Y792 HydrophobicContact CD1-CE1 3.71Å
780	S	95.1	Very high	92	Very high	18 Å²	18	65.2 Å²	65.2	13%	0.126	33%	0.329	C	S	.	.			trans	-54.1	145.6	163.5	-88.9	0	0	0	0	111.2	S782 E879	S780-S782 PolarHBondContact O-N 3.5Å; S780-E879 WeakPolarHBondContact CA-OE1 3.22Å; S780-E879 WeakPolarHBondContact CB-OE1 3.44Å; S780-E879 VanDerWaalsContact CB-OE2 3.29Å; S780-E879 WeakPolarHBondContact CB-OE2 3.45Å; S780-E879 PolarHBondContact OG-OE1 2.87Å; S780-E879 PolarHBondContact OG-OE2 3.47Å
781	L	96.6	Very high	92.7	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.305	C	S	.	.	S	Bend	trans	-82.5	60.9	178.3	-67.1	-176.7	0	0	0	111.4	Y760 P761 L763 M794 L877 V878 E879	Y760-L781 HydrophobicContact CD1-CD1 3.81Å; Y760-L781 HydrophobicContact CD1-CG 4.4Å; Y760-L781 HydrophobicContact CD2-CD1 3.71Å; Y760-L781 HydrophobicContact CE1-CD1 3.79Å; Y760-L781 HydrophobicContact CE1-CG 3.89Å; Y760-L781 HydrophobicContact CE2-CB 4.18Å; Y760-L781 HydrophobicContact CE2-CD1 3.68Å; Y760-L781 HydrophobicContact CE2-CG 4Å; Y760-L781 HydrophobicContact CG-CD1 3.76Å; Y760-L781 PolarHBondContact OH-N 3.27Å; P761-L781 HydrophobicContact CB-CD1 4.34Å; P761-L781 HydrophobicContact CG-CD1 4.49Å; P761-L781 WeakPolarHBondContact O-CD1 3.5Å; L763-L781 HydrophobicContact CB-CD2 3.72Å; L763-L781 HydrophobicContact CD2-CD2 4.38Å; L781-M794 HydrophobicContact CD2-CE 4.24Å; L781-L877 CarbonylContact O-C 3.56Å; L781-L877 WeakPolarHBondContact O-CA 3.41Å; L781-V878 HydrophobicContact CB-CG2 4.09Å; L781-V878 HydrophobicContact CD1-CG2 3.74Å; L781-V878 PolarHBondContact O-N 2.9Å; L781-E879 PolarHBondContact N-OE1 3.42Å; L781-E879 WeakPolarHBondContact O-CB 3.48Å; L781-E879 PolarHBondContact O-N 3.11Å
782	S	95.6	Very high	93.3	Very high	16 Å²	16	57.2 Å²	57.2	11%	0.112	28%	0.28	C	S	.	.	S	Bend	trans	-134.2	142.4	176.8	173.7	0	0	0	0	110.9	S780 E784 K785 D880	S780-S782 PolarHBondContact O-N 3.5Å; S782-E784 PolarHBondContact O-N 2.86Å; S782-E784 VanDerWaalsContact O-N 3.16Å; S782-E784 WeakPolarHBondContact OG-CB 3.31Å; S782-E784 PolarHBondContact OG-N 2.85Å; S782-K785 PolarHBondContact O-N 2.94Å; S782-D880 WeakPolarHBondContact CA-OD1 3.45Å; S782-D880 WeakPolarHBondContact CA-OD2 3.25Å; S782-D880 VanDerWaalsContact CB-OD1 3.23Å; S782-D880 WeakPolarHBondContact CB-OD1 3.38Å; S782-D880 PolarHBondContact OG-OD1 3.36Å
783	F	94.9	Very high	94	Very high	73 Å²	73	53.1 Å²	53.1	32%	0.32	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-62.2	-17.7	174.8	-157.6	-97	0	0	0	112.3	K785 V786 R870 L877 D880	F783-K785 PolarHBondContact O-N 3.45Å; F783-K785 VanDerWaalsContact O-N 3.14Å; F783-V786 HydrophobicContact CD2-CB 4.08Å; F783-V786 HydrophobicContact CD2-CG1 4.31Å; F783-V786 HydrophobicContact CD2-CG2 4.44Å; F783-V786 HydrophobicContact CE2-CB 4.22Å; F783-V786 HydrophobicContact CE2-CG1 3.99Å; F783-V786 HydrophobicContact CG-CB 4.42Å; F783-V786 HydrophobicContact CZ-CG1 4.45Å; F783-V786 PolarHBondContact O-N 2.93Å; F783-R870 VanDerWaalsContact CZ-NH2 3.35Å; F783-L877 HydrophobicContact CB-CD1 3.91Å; F783-L877 HydrophobicContact CD2-CD1 3.74Å; F783-L877 HydrophobicContact CG-CD1 4.34Å; F783-D880 WeakPolarHBondContact CB-OD2 3.34Å; F783-D880 PolarHBondContact N-OD1 3.37Å; F783-D880 PolarHBondContact N-OD2 3.03Å
784	E	94.7	Very high	94.7	Very high	151 Å²	151	46.7 Å²	46.7	71%	0.706	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-56.5	-25.6	169	-162.3	-153.7	103.1	0	0	112.5	S782	S782-E784 PolarHBondContact O-N 2.86Å; S782-E784 VanDerWaalsContact O-N 3.16Å; S782-E784 WeakPolarHBondContact OG-CB 3.31Å; S782-E784 PolarHBondContact OG-N 2.85Å
785	K	94.2	Very high	95.2	Very high	60 Å²	60	43.5 Å²	43.5	26%	0.261	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-95.3	0.7	178.7	-54.7	-48	-176.7	-162.1	0	113.8	L779 S782 F783 Y792	L779-K785 HydrophobicContact CB-CB 4.34Å; L779-K785 HydrophobicContact CD1-CB 4.36Å; S782-K785 PolarHBondContact O-N 2.94Å; F783-K785 PolarHBondContact O-N 3.45Å; F783-K785 VanDerWaalsContact O-N 3.14Å; K785-Y792 VanDerWaalsContact O-CE1 3.25Å; K785-Y792 WeakPolarHBondContact O-CE1 3.39Å; K785-Y792 PolarHBondContact O-OH 2.68Å
786	V	95.4	Very high	95.5	Very high	13 Å²	13	37.4 Å²	37.4	8%	0.079	18%	0.18	C	C	.	.			trans	-107.5	100.2	-176	-177.2	0	0	0	0	109.4	F783 Y792 Y803 F873	F783-V786 HydrophobicContact CD2-CB 4.08Å; F783-V786 HydrophobicContact CD2-CG1 4.31Å; F783-V786 HydrophobicContact CD2-CG2 4.44Å; F783-V786 HydrophobicContact CE2-CB 4.22Å; F783-V786 HydrophobicContact CE2-CG1 3.99Å; F783-V786 HydrophobicContact CG-CB 4.42Å; F783-V786 HydrophobicContact CZ-CG1 4.45Å; F783-V786 PolarHBondContact O-N 2.93Å; V786-Y792 HydrophobicContact CB-CE2 4.45Å; V786-Y792 HydrophobicContact CG1-CD2 4.08Å; V786-Y792 HydrophobicContact CG1-CE2 3.94Å; V786-Y803 HydrophobicContact CG1-CD1 3.89Å; V786-Y803 HydrophobicContact CG1-CE1 3.51Å; V786-F873 HydrophobicContact CG1-CE1 4.38Å; V786-F873 HydrophobicContact CG2-CE1 4.07Å; V786-F873 HydrophobicContact CG2-CZ 4.1Å
787	D	94.9	Very high	95.5	Very high	81 Å²	81	37.5 Å²	37.5	43%	0.433	18%	0.182	S	C	.	.			trans	-85.6	138.9	174.8	-169.1	-72.9	0	0	0	110.6	H789 G790 Y792	D787-H789 PolarHBondContact O-N 2.91Å; D787-H789 VanDerWaalsContact O-N 3.14Å; D787-H789 VanDerWaalsContact OD1-CB 3.24Å; D787-H789 WeakPolarHBondContact OD1-CB 3.33Å; D787-H789 IonicContact OD1-CD2 3.38Å; D787-H789 PolarHBondContact OD1-CD2 2.92Å; D787-H789 IonicContact OD1-CG 3.83Å; D787-H789 PolarHBondContact OD1-N 3.17Å; D787-G790 PolarHBondContact O-N 3.47Å; D787-Y792 PolarHBondContact N-OH 2.81Å
788	R	95	Very high	95.4	Very high	155 Å²	155	36.2 Å²	36.2	59%	0.585	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-17.4	179.5	64.4	170.9	-163	176.3	4.9	114.6	G805 Q806 A807 V808	R788-G805 CarbonylContact O-C 3.53Å; R788-G805 VanDerWaalsContact O-CA 3.31Å; R788-G805 WeakPolarHBondContact O-CA 3.43Å; R788-Q806 PolarHBondContact O-N 2.97Å; R788-A807 HydrophobicContact CB-CB 4.34Å; R788-A807 HydrophobicContact CG-CB 4Å; R788-A807 CarbonylContact O-C 3.59Å; R788-A807 WeakPolarHBondContact O-CA 3.47Å; R788-A807 PolarHBondContact O-N 3.01Å; R788-V808 PolarHBondContact O-N 2.84Å
789	H	96.4	Very high	95.3	Very high	88 Å²	88	37.1 Å²	37.1	41%	0.407	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-9.3	175.6	-59.7	-70.8	0	0	0	112.5	D787 A807	D787-H789 PolarHBondContact O-N 2.91Å; D787-H789 VanDerWaalsContact O-N 3.14Å; D787-H789 VanDerWaalsContact OD1-CB 3.24Å; D787-H789 WeakPolarHBondContact OD1-CB 3.33Å; D787-H789 IonicContact OD1-CD2 3.38Å; D787-H789 PolarHBondContact OD1-CD2 2.92Å; D787-H789 IonicContact OD1-CG 3.83Å; D787-H789 PolarHBondContact OD1-N 3.17Å; H789-A807 VanDerWaalsContact CE1-CB 3.48Å; H789-A807 WeakPolarHBondContact CE1-CB 3.16Å; H789-A807 WeakPolarHBondContact ND1-CB 3.24Å; H789-A807 PolarHBondContact ND1-O 3.26Å
790	G	95.6	Very high	95.3	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.01	16%	0.162	C	C	.	.			trans	-93.4	165.7	-174.6	0	0	0	0	0	115.3	D787 G805	D787-G790 PolarHBondContact O-N 3.47Å; G790-G805 PolarHBondContact O-N 2.86Å; G790-G805 VanDerWaalsContact O-N 3.08Å
791	I	96.6	Very high	95.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	132.6	168.3	-52.1	165.5	0	0	0	108.2	I766 H767 L802 Y803 V804 V808 L812 I816 F817	I766-I791 HydrophobicContact CD1-CB 4.48Å; I766-I791 HydrophobicContact CD1-CG2 3.77Å; I766-I791 HydrophobicContact CG1-CB 4.18Å; I766-I791 HydrophobicContact CG1-CG2 3.89Å; I766-I791 WeakPolarHBondContact CG1-O 3.38Å; I766-I791 PolarHBondContact N-O 3.13Å; I766-I791 VanDerWaalsContact N-O 3.11Å; H767-I791 HydrophobicContact CB-CB 4.09Å; H767-I791 HydrophobicContact CB-CG1 4.38Å; H767-I791 PolarHBondContact N-O 3.14Å; H767-I791 PolarHBondContact ND1-N 3.01Å; H767-I791 VanDerWaalsContact ND1-N 3.13Å; H767-I791 PolarHBondContact ND1-O 2.61Å; I791-L802 HydrophobicContact CG2-CD1 4.17Å; I791-L802 HydrophobicContact CG2-CG 4.21Å; I791-Y803 WeakPolarHBondContact CA-O 3.4Å; I791-V804 HydrophobicContact CG1-CG1 4.39Å; I791-V804 HydrophobicContact CG2-CG2 4.3Å; I791-V808 HydrophobicContact CD1-CG2 3.95Å; I791-V808 HydrophobicContact CG1-CG2 3.89Å; I791-L812 HydrophobicContact CD1-CB 4.3Å; I791-I816 HydrophobicContact CD1-CD1 3.51Å; I791-F817 HydrophobicContact CD1-CE2 3.96Å
792	Y	97.5	Very high	95.3	Very high	9 Å²	9	35.1 Å²	35.1	4%	0.035	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	137	-172.4	-62.3	-94	0	0	0	111.2	L763 Y764 P765 H767 L779 K785 V786 D787 L802 Y803	L763-Y792 HydrophobicContact CD1-CD1 4.5Å; Y764-Y792 WeakPolarHBondContact O-CA 3.45Å; P765-Y792 HydrophobicContact CB-CD1 4.35Å; P765-Y792 HydrophobicContact CB-CE1 4.15Å; H767-Y792 AromaticContact CE1-CE1 3.93Å; H767-Y792 AromaticContact CE1-CZ 3.65Å; L779-Y792 HydrophobicContact CD1-CD1 3.96Å; L779-Y792 HydrophobicContact CD1-CE1 3.71Å; K785-Y792 VanDerWaalsContact O-CE1 3.25Å; K785-Y792 WeakPolarHBondContact O-CE1 3.39Å; K785-Y792 PolarHBondContact O-OH 2.68Å; V786-Y792 HydrophobicContact CB-CE2 4.45Å; V786-Y792 HydrophobicContact CG1-CD2 4.08Å; V786-Y792 HydrophobicContact CG1-CE2 3.94Å; D787-Y792 PolarHBondContact N-OH 2.81Å; Y792-L802 CarbonylContact O-C 3.6Å; Y792-L802 WeakPolarHBondContact O-CA 3.49Å; Y792-Y803 HydrophobicContact CD2-CD1 4.33Å; Y792-Y803 PolarHBondContact N-O 2.78Å; Y792-Y803 PolarHBondContact O-N 2.75Å
793	L	97.1	Very high	95.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	115.1	172.8	-177	63.9	0	0	0	108.7	Y764 I766 L800 L802 F846 I847 L850 L860	Y764-L793 WeakPolarHBondContact CD2-O 3.29Å; Y764-L793 PolarHBondContact N-O 3.35Å; Y764-L793 PolarHBondContact O-N 2.98Å; I766-L793 HydrophobicContact CG2-CB 3.67Å; I766-L793 HydrophobicContact CG2-CD2 4.46Å; L793-L800 HydrophobicContact CD1-CB 4.02Å; L793-L802 HydrophobicContact CB-CD1 4.38Å; L793-L802 HydrophobicContact CD1-CD1 4.01Å; L793-F846 HydrophobicContact CD2-CD1 3.94Å; L793-F846 HydrophobicContact CD2-CE1 3.95Å; L793-I847 HydrophobicContact CD1-CG1 4.48Å; L793-I847 HydrophobicContact CD2-CG1 3.76Å; L793-L850 HydrophobicContact CD2-CD1 3.85Å; L793-L860 HydrophobicContact CD1-CD1 3.98Å
794	M	97.5	Very high	95.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	122.5	170.5	179.6	-172.8	-74.5	0	0	109.7	P761 N762 L763 L781 T796 L800 F801 F873 R876 L877	P761-M794 HydrophobicContact CB-CG 3.75Å; P761-M794 HydrophobicContact CB-SD 4.18Å; P761-M794 HydrophobicContact CG-SD 4.41Å; N762-M794 CarbonylContact O-C 3.46Å; N762-M794 WeakPolarHBondContact O-CA 3.31Å; L763-M794 HydrophobicContact CD1-CB 4Å; L763-M794 HydrophobicContact CD1-CE 4.46Å; L781-M794 HydrophobicContact CD2-CE 4.24Å; M794-T796 HydrophobicContact CG-CG2 4.09Å; M794-T796 HydrophobicContact SD-CG2 4.11Å; M794-L800 WeakPolarHBondContact O-CA 3.17Å; M794-F801 HydrophobicContact CB-CB 4.28Å; M794-F801 PolarHBondContact N-O 3.32Å; M794-F801 PolarHBondContact O-N 2.98Å; M794-F801 HydrophobicContact SD-CD2 4.2Å; M794-F873 HydrophobicContact CB-CD2 4.09Å; M794-F873 HydrophobicContact CB-CE2 3.92Å; M794-F873 HydrophobicContact CE-CD2 3.68Å; M794-F873 HydrophobicContact CE-CE2 3.67Å; M794-F873 HydrophobicContact CE-CG 4.29Å; M794-F873 HydrophobicContact CE-CZ 4.23Å; M794-F873 HydrophobicContact SD-CD2 4.15Å; M794-R876 HydrophobicContact CE-CB 3.78Å; M794-R876 HydrophobicContact SD-CB 3.44Å; M794-R876 WeakPolarHBondContact SD-CB 3.38Å; M794-R876 HydrophobicContact SD-CG 4.08Å; M794-L877 HydrophobicContact CE-CD2 3.9Å
795	D	96.2	Very high	95.5	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	109.5	178.4	166.4	29.6	0	0	0	110.4	P761 N762 Y764 G797 L800 R854	P761-D795 VanDerWaalsContact CA-O 3.32Å; P761-D795 WeakPolarHBondContact CA-O 3.4Å; P761-D795 WeakPolarHBondContact CB-O 3.45Å; N762-D795 HydrophobicContact CB-CB 4.24Å; N762-D795 PolarHBondContact N-O 2.82Å; N762-D795 PolarHBondContact O-N 3.41Å; Y764-D795 HydrophobicContact CE2-CB 4.14Å; D795-G797 PolarHBondContact OD1-N 2.99Å; D795-G797 VanDerWaalsContact OD1-N 3.08Å; D795-L800 HydrophobicContact CB-CD2 3.73Å; D795-R854 IonicContact OD1-CZ 2.8Å; D795-R854 VanDerWaalsContact OD1-CZ 3.28Å; D795-R854 IonicContact OD1-NH1 3.51Å; D795-R854 PolarHBondContact OD1-NH1 2.62Å; D795-R854 IonicContact OD1-NH2 2.82Å; D795-R854 PolarHBondContact OD1-NH2 2.69Å; D795-R854 IonicContact OD2-CZ 3.23Å; D795-R854 IonicContact OD2-NH1 2.72Å; D795-R854 IonicContact OD2-NH2 3.17Å; D795-R854 PolarHBondContact OD2-NH2 3.01Å
796	T	95	Very high	95.6	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.012	12%	0.12	C	C	.	.			trans	-100.7	10	-177.3	67	0	0	0	0	113.1	P761 M794 R798 Y799 F801	P761-T796 HydrophobicContact CB-CG2 4.17Å; P761-T796 HydrophobicContact CG-CG2 3.95Å; M794-T796 HydrophobicContact CG-CG2 4.09Å; M794-T796 HydrophobicContact SD-CG2 4.11Å; T796-R798 PolarHBondContact O-N 3.21Å; T796-Y799 PolarHBondContact N-O 2.81Å; T796-Y799 PolarHBondContact OG1-N 3.44Å; T796-Y799 PolarHBondContact OG1-O 3.38Å; T796-F801 HydrophobicContact CG2-CD2 3.96Å; T796-F801 HydrophobicContact CG2-CE2 3.86Å
797	G	92.8	Very high	95.6	Very high	6 Å²	6	27.5 Å²	27.5	6%	0.062	13%	0.129	C	C	.	.	S	Bend	trans	78.1	-47.7	-172.2	0	0	0	0	0	113.7	D795 R854 S858	D795-G797 PolarHBondContact OD1-N 2.99Å; D795-G797 VanDerWaalsContact OD1-N 3.08Å; G797-R854 PolarHBondContact O-NH1 3.16Å; G797-S858 PolarHBondContact O-OG 2.89Å
798	R	90.8	Very high	95.7	Very high	32 Å²	32	24 Å²	24	12%	0.121	11%	0.111	C	C	.	.	S	Bend	trans	-90.8	-29.1	178.7	-62.3	179.6	-177.6	132.6	-16.4	114.2	E743 N746 M750 D758 T796	E743-R798 IonicContact OE1-CZ 2.99Å; E743-R798 IonicContact OE1-NH1 3.21Å; E743-R798 PolarHBondContact OE1-NH1 2.96Å; E743-R798 VanDerWaalsContact OE1-NH1 3.1Å; E743-R798 IonicContact OE1-NH2 3.62Å; E743-R798 IonicContact OE2-CZ 3.72Å; E743-R798 VanDerWaalsContact OE2-CZ 3.28Å; E743-R798 IonicContact OE2-NH1 3.37Å; E743-R798 PolarHBondContact OE2-NH1 2.65Å; E743-R798 IonicContact OE2-NH2 3.46Å; E743-R798 PolarHBondContact OE2-NH2 3.43Å; N746-R798 VanDerWaalsContact CG-NH2 3.3Å; N746-R798 PolarHBondContact ND2-NH2 3.41Å; M750-R798 VanDerWaalsContact CE-CZ 3.47Å; M750-R798 VanDerWaalsContact CE-NH2 3.3Å; D758-R798 IonicContact OD1-CZ 3.65Å; D758-R798 IonicContact OD1-NH1 2.7Å; D758-R798 PolarHBondContact OD1-NH1 2.66Å; D758-R798 IonicContact OD2-CZ 3.77Å; D758-R798 IonicContact OD2-NH1 3.74Å; D758-R798 PolarHBondContact OD2-NH1 2.79Å; D758-R798 VanDerWaalsContact OD2-NH1 3.12Å; D758-R798 IonicContact OD2-NH2 2.77Å; T796-R798 PolarHBondContact O-N 3.21Å
799	Y	93.5	Very high	95.7	Very high	35 Å²	35	19.3 Å²	19.3	14%	0.137	10%	0.101	C	C	.	.			trans	-139.3	150.5	-178.4	-54	-90.1	0	0	0	110.5	T543 E544 R547 T796 F801 P859	T543-Y799 HydrophobicContact CG2-CD1 4.07Å; T543-Y799 HydrophobicContact CG2-CE1 4.14Å; E544-Y799 VanDerWaalsContact CD-OH 3.31Å; E544-Y799 WeakPolarHBondContact OE1-CE1 3.49Å; E544-Y799 VanDerWaalsContact OE1-CZ 3.23Å; E544-Y799 PolarHBondContact OE1-OH 3.16Å; E544-Y799 PolarHBondContact OE2-OH 3.42Å; R547-Y799 PolarHBondContact NH1-OH 3Å; T796-Y799 PolarHBondContact N-O 2.81Å; T796-Y799 PolarHBondContact OG1-N 3.44Å; T796-Y799 PolarHBondContact OG1-O 3.38Å; Y799-F801 HydrophobicContact CD1-CE1 4.26Å; Y799-F801 HydrophobicContact CD2-CE1 4.32Å; Y799-F801 HydrophobicContact CD2-CZ 4.12Å; Y799-F801 AromaticContact CG-CE1 3.76Å; Y799-F801 HydrophobicContact CG-CE1 3.76Å; Y799-F801 HydrophobicContact CG-CZ 4.03Å; Y799-P859 HydrophobicContact CD1-CG 4.01Å; Y799-P859 HydrophobicContact CE1-CG 4.44Å
800	L	95.3	Very high	95.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	110.7	164.7	-64	-179	0	0	0	108.4	L793 M794 D795 I847 L850 R851 P859 L860 R861	L793-L800 HydrophobicContact CD1-CB 4.02Å; M794-L800 WeakPolarHBondContact O-CA 3.17Å; D795-L800 HydrophobicContact CB-CD2 3.73Å; L800-I847 HydrophobicContact CD1-CG1 4.5Å; L800-I847 HydrophobicContact CD1-CG2 3.84Å; L800-L850 HydrophobicContact CD2-CD1 4.32Å; L800-R851 HydrophobicContact CD1-CG 4.22Å; L800-P859 PolarHBondContact N-O 2.8Å; L800-L860 HydrophobicContact CB-CD1 3.73Å; L800-L860 CarbonylContact O-C 3.43Å; L800-L860 VanDerWaalsContact O-CA 3.3Å; L800-L860 WeakPolarHBondContact O-CA 3.47Å; L800-R861 PolarHBondContact O-N 3.44Å
801	F	96	Very high	95.6	Very high	14 Å²	14	23.8 Å²	23.8	6%	0.061	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	119.6	177.1	-62	-30.5	0	0	0	109.9	M794 T796 Y799 R861 I863 L872	M794-F801 HydrophobicContact CB-CB 4.28Å; M794-F801 PolarHBondContact N-O 3.32Å; M794-F801 PolarHBondContact O-N 2.98Å; M794-F801 HydrophobicContact SD-CD2 4.2Å; T796-F801 HydrophobicContact CG2-CD2 3.96Å; T796-F801 HydrophobicContact CG2-CE2 3.86Å; Y799-F801 HydrophobicContact CD1-CE1 4.26Å; Y799-F801 HydrophobicContact CD2-CE1 4.32Å; Y799-F801 HydrophobicContact CD2-CZ 4.12Å; Y799-F801 AromaticContact CG-CE1 3.76Å; Y799-F801 HydrophobicContact CG-CE1 3.76Å; Y799-F801 HydrophobicContact CG-CZ 4.03Å; F801-R861 HydrophobicContact CD1-CB 4.18Å; F801-I863 HydrophobicContact CB-CD1 3.9Å; F801-I863 HydrophobicContact CD1-CD1 4.06Å; F801-I863 HydrophobicContact CD2-CD1 4.38Å; F801-I863 HydrophobicContact CG-CD1 3.87Å; F801-L872 HydrophobicContact CE2-CB 4.35Å; F801-L872 WeakPolarHBondContact CE2-O 3.29Å; F801-L872 HydrophobicContact CZ-CB 4.36Å
802	L	96.3	Very high	95.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	95.5	177.3	-165	74.4	0	0	0	109	I766 I791 Y792 L793 F817 L832 L860 R861 I862 I863	I766-L802 HydrophobicContact CD1-CD1 3.43Å; I766-L802 VanDerWaalsContact CD1-CD1 3.43Å; I766-L802 HydrophobicContact CG1-CD1 4.42Å; I791-L802 HydrophobicContact CG2-CD1 4.17Å; I791-L802 HydrophobicContact CG2-CG 4.21Å; Y792-L802 CarbonylContact O-C 3.6Å; Y792-L802 WeakPolarHBondContact O-CA 3.49Å; L793-L802 HydrophobicContact CB-CD1 4.38Å; L793-L802 HydrophobicContact CD1-CD1 4.01Å; L802-F817 HydrophobicContact CD2-CE1 3.58Å; L802-F817 HydrophobicContact CD2-CZ 3.72Å; L802-L832 HydrophobicContact CD2-CD2 3.89Å; L802-L860 HydrophobicContact CB-CD1 4.07Å; L802-L860 HydrophobicContact CB-CG 4.44Å; L802-L860 HydrophobicContact CD2-CD2 4.48Å; L802-R861 PolarHBondContact N-O 2.85Å; L802-I862 HydrophobicContact CD2-CG1 4.15Å; L802-I863 PolarHBondContact O-N 3.43Å
803	Y	96.9	Very high	95.3	Very high	1 Å²	1	24.3 Å²	24.3	0%	0.004	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	126.7	179.9	-175.1	-97.8	0	0	0	110.8	V786 I791 Y792 I863 E865 R870 F873	V786-Y803 HydrophobicContact CG1-CD1 3.89Å; V786-Y803 HydrophobicContact CG1-CE1 3.51Å; I791-Y803 WeakPolarHBondContact CA-O 3.4Å; Y792-Y803 HydrophobicContact CD2-CD1 4.33Å; Y792-Y803 PolarHBondContact N-O 2.78Å; Y792-Y803 PolarHBondContact O-N 2.75Å; Y803-I863 WeakPolarHBondContact CA-O 3.45Å; Y803-I863 HydrophobicContact CD2-CB 4.44Å; Y803-I863 HydrophobicContact CD2-CG2 4.01Å; Y803-I863 HydrophobicContact CE2-CG2 4.49Å; Y803-E865 HydrophobicContact CE2-CB 4.29Å; Y803-E865 WeakPolarHBondContact OH-CB 3.34Å; Y803-E865 VanDerWaalsContact OH-CG 3.23Å; Y803-E865 WeakPolarHBondContact OH-CG 3.43Å; Y803-R870 HydrophobicContact CE2-CG 4.43Å; Y803-F873 VanDerWaalsContact CB-CE2 3.5Å; Y803-F873 HydrophobicContact CD1-CD1 4.36Å; Y803-F873 AromaticContact CD1-CE1 3.93Å; Y803-F873 HydrophobicContact CD1-CE1 3.93Å; Y803-F873 HydrophobicContact CD1-CZ 4.09Å; Y803-F873 HydrophobicContact CD2-CB 4.03Å; Y803-F873 AromaticContact CD2-CD1 3.54Å; Y803-F873 HydrophobicContact CD2-CD1 3.54Å; Y803-F873 HydrophobicContact CD2-CD2 4.22Å; Y803-F873 AromaticContact CD2-CE1 3.97Å; Y803-F873 HydrophobicContact CD2-CE1 3.97Å; Y803-F873 AromaticContact CD2-CG 3.68Å; Y803-F873 HydrophobicContact CD2-CG 3.68Å; Y803-F873 HydrophobicContact CD2-CZ 4.46Å; Y803-F873 HydrophobicContact CE1-CE1 4.28Å; Y803-F873 AromaticContact CE2-CD1 3.87Å; Y803-F873 HydrophobicContact CE2-CD1 3.87Å; Y803-F873 HydrophobicContact CE2-CE1 4.32Å; Y803-F873 HydrophobicContact CE2-CG 4.38Å; Y803-F873 AromaticContact CG-CD1 3.79Å; Y803-F873 HydrophobicContact CG-CD1 3.79Å; Y803-F873 HydrophobicContact CG-CD2 4.09Å; Y803-F873 AromaticContact CG-CE1 3.74Å; Y803-F873 HydrophobicContact CG-CE1 3.74Å; Y803-F873 HydrophobicContact CG-CE2 4.03Å; Y803-F873 AromaticContact CG-CG 3.96Å; Y803-F873 HydrophobicContact CG-CG 3.96Å; Y803-F873 AromaticContact CG-CZ 3.86Å; Y803-F873 HydrophobicContact CG-CZ 3.86Å
804	V	96.8	Very high	95.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	116.7	-179.7	-172.6	0	0	0	0	108.8	I791 V808 F817 Y822 I825 I862 I863 E865	I791-V804 HydrophobicContact CG1-CG1 4.39Å; I791-V804 HydrophobicContact CG2-CG2 4.3Å; V804-V808 HydrophobicContact CG1-CB 4.33Å; V804-V808 HydrophobicContact CG1-CG1 3.75Å; V804-F817 HydrophobicContact CG1-CE2 4.49Å; V804-F817 HydrophobicContact CG2-CE2 4.07Å; V804-F817 HydrophobicContact CG2-CZ 3.68Å; V804-Y822 HydrophobicContact CB-CE2 4.25Å; V804-Y822 HydrophobicContact CG1-CD2 3.79Å; V804-Y822 HydrophobicContact CG1-CE2 3.86Å; V804-I825 HydrophobicContact CG1-CD1 3.88Å; V804-I862 HydrophobicContact CG2-CG2 4.08Å; V804-I863 PolarHBondContact N-O 3.09Å; V804-E865 WeakPolarHBondContact O-CB 3.44Å; V804-E865 PolarHBondContact O-N 3.01Å
805	G	96.3	Very high	95.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.172	C	C	.	.			trans	-68.1	148.2	175.7	0	0	0	0	0	112.4	R788 G790 A807 V808 Y822	R788-G805 CarbonylContact O-C 3.53Å; R788-G805 VanDerWaalsContact O-CA 3.31Å; R788-G805 WeakPolarHBondContact O-CA 3.43Å; G790-G805 PolarHBondContact O-N 2.86Å; G790-G805 VanDerWaalsContact O-N 3.08Å; G805-A807 PolarHBondContact O-N 3.35Å; G805-V808 WeakPolarHBondContact O-CG1 3.47Å; G805-V808 PolarHBondContact O-N 2.9Å; G805-Y822 WeakPolarHBondContact O-CD2 3.5Å; G805-Y822 WeakPolarHBondContact O-CE2 3.25Å
806	Q	95.6	Very high	94.9	Very high	120 Å²	120	32 Å²	32	56%	0.561	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-24.1	-172	-170.7	178.6	34.3	0	0	114.3	R788 Y822 E865	R788-Q806 PolarHBondContact O-N 2.97Å; Q806-Y822 HydrophobicContact CB-CE1 4.29Å; Q806-Y822 HydrophobicContact CG-CD1 4.32Å; Q806-Y822 HydrophobicContact CG-CE1 3.83Å; Q806-E865 HydrophobicContact CB-CB 4.34Å; Q806-E865 HydrophobicContact CB-CG 4.44Å; Q806-E865 PolarHBondContact N-OE2 2.93Å
807	A	96.1	Very high	94.9	Very high	33 Å²	33	32.7 Å²	32.7	27%	0.273	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	19.3	-176.5	0	0	0	0	0	112.8	R788 H789 G805 S809	R788-A807 HydrophobicContact CB-CB 4.34Å; R788-A807 HydrophobicContact CG-CB 4Å; R788-A807 CarbonylContact O-C 3.59Å; R788-A807 WeakPolarHBondContact O-CA 3.47Å; R788-A807 PolarHBondContact O-N 3.01Å; H789-A807 VanDerWaalsContact CE1-CB 3.48Å; H789-A807 WeakPolarHBondContact CE1-CB 3.16Å; H789-A807 WeakPolarHBondContact ND1-CB 3.24Å; H789-A807 PolarHBondContact ND1-O 3.26Å; G805-A807 PolarHBondContact O-N 3.35Å; A807-S809 PolarHBondContact O-N 3.35Å
808	V	95.9	Very high	94.9	Very high	8 Å²	8	37.4 Å²	37.4	5%	0.048	20%	0.198	C	C	.	.			trans	-52.6	137.1	169.9	64.2	0	0	0	0	110.5	R788 I791 V804 G805 L812 Y822	R788-V808 PolarHBondContact O-N 2.84Å; I791-V808 HydrophobicContact CD1-CG2 3.95Å; I791-V808 HydrophobicContact CG1-CG2 3.89Å; V804-V808 HydrophobicContact CG1-CB 4.33Å; V804-V808 HydrophobicContact CG1-CG1 3.75Å; G805-V808 WeakPolarHBondContact O-CG1 3.47Å; G805-V808 PolarHBondContact O-N 2.9Å; V808-L812 HydrophobicContact CG2-CB 3.76Å; V808-L812 HydrophobicContact CG2-CD1 3.98Å; V808-Y822 HydrophobicContact CG1-CD2 3.78Å; V808-Y822 HydrophobicContact CG1-CG 4.34Å
809	S	95.9	Very high	95.1	Very high	55 Å²	55	37.2 Å²	37.2	39%	0.385	20%	0.201	S	C	.	.			trans	-67.5	143.4	-178.6	60.1	0	0	0	0	112	A807 T811 L812 C813	A807-S809 PolarHBondContact O-N 3.35Å; S809-T811 PolarHBondContact O-N 2.86Å; S809-T811 VanDerWaalsContact O-N 3.13Å; S809-L812 WeakPolarHBondContact O-CA 3.3Å; S809-L812 WeakPolarHBondContact O-CB 3.5Å; S809-L812 PolarHBondContact O-N 2.91Å; S809-L812 WeakPolarHBondContact OG-CG 3.38Å; S809-L812 PolarHBondContact OG-N 3.47Å; S809-C813 PolarHBondContact O-N 2.91Å; S809-C813 VanDerWaalsContact O-N 3.09Å
810	D	95.3	Very high	95.2	Very high	94 Å²	94	40 Å²	40	50%	0.503	22%	0.221	S	C	.	.	H	α-helix	trans	-54.7	-33	175.9	-62.2	-29.7	0	0	0	112.8	L812 C813 Q814 T820 S821	D810-L812 PolarHBondContact O-N 3.23Å; D810-C813 WeakPolarHBondContact O-CB 3.28Å; D810-C813 PolarHBondContact O-N 3.47Å; D810-C813 VanDerWaalsContact O-N 3.15Å; D810-Q814 WeakPolarHBondContact O-CB 3.35Å; D810-Q814 PolarHBondContact O-N 3.27Å; D810-T820 WeakPolarHBondContact CB-O 3.5Å; D810-S821 WeakPolarHBondContact OD1-CA 3.21Å
811	T	94.9	Very high	95.2	Very high	89 Å²	89	41.4 Å²	41.4	55%	0.546	23%	0.231	S	C	.	.	H	α-helix	trans	-58	-42.7	172.1	-45.5	0	0	0	0	112.9	S809 N815	S809-T811 PolarHBondContact O-N 2.86Å; S809-T811 VanDerWaalsContact O-N 3.13Å; T811-N815 VanDerWaalsContact O-CB 3.22Å; T811-N815 WeakPolarHBondContact O-CB 3.26Å; T811-N815 PolarHBondContact O-N 3.16Å; T811-N815 PolarHBondContact O-ND2 2.9Å
812	L	93.9	Very high	95.1	Very high	20 Å²	20	41.5 Å²	41.5	11%	0.105	23%	0.231	C	C	.	.	H	α-helix	trans	-72.3	-34.9	175.7	-74.1	172.1	0	0	0	111.3	H767 I791 V808 S809 D810 I816	H767-L812 HydrophobicContact CB-CD1 4.24Å; I791-L812 HydrophobicContact CD1-CB 4.3Å; V808-L812 HydrophobicContact CG2-CB 3.76Å; V808-L812 HydrophobicContact CG2-CD1 3.98Å; S809-L812 WeakPolarHBondContact O-CA 3.3Å; S809-L812 WeakPolarHBondContact O-CB 3.5Å; S809-L812 PolarHBondContact O-N 2.91Å; S809-L812 WeakPolarHBondContact OG-CG 3.38Å; S809-L812 PolarHBondContact OG-N 3.47Å; D810-L812 PolarHBondContact O-N 3.23Å; L812-I816 HydrophobicContact CD2-CD1 4.15Å; L812-I816 WeakPolarHBondContact O-CB 3.35Å; L812-I816 PolarHBondContact O-N 3.32Å
813	C	94.2	Very high	95	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.3	-48	172.4	-65.6	0	0	0	0	111.4	S809 D810 F817 N818 V819 Y822	S809-C813 PolarHBondContact O-N 2.91Å; S809-C813 VanDerWaalsContact O-N 3.09Å; D810-C813 WeakPolarHBondContact O-CB 3.28Å; D810-C813 PolarHBondContact O-N 3.47Å; D810-C813 VanDerWaalsContact O-N 3.15Å; C813-F817 CarbonylContact O-C 3.54Å; C813-F817 WeakPolarHBondContact O-CA 3.43Å; C813-F817 WeakPolarHBondContact O-CB 3.37Å; C813-F817 PolarHBondContact O-N 2.94Å; C813-N818 PolarHBondContact O-N 2.85Å; C813-V819 CarbonylContact C-O 3.59Å; C813-V819 VanDerWaalsContact C-O 3.24Å; C813-V819 HydrophobicContact CB-CG2 4.06Å; C813-V819 PolarHBondContact O-N 2.81Å; C813-Y822 PolarHBondContact SG-N 3.06Å
814	Q	94.7	Very high	94.9	Very high	118 Å²	118	54.6 Å²	54.6	55%	0.551	29%	0.29	S	S	*	.	H	α-helix	trans	-66.4	-49.8	178.3	-171.7	175.1	16.4	0	0	110.9	D810 I816 N818 V819	D810-Q814 WeakPolarHBondContact O-CB 3.35Å; D810-Q814 PolarHBondContact O-N 3.27Å; Q814-I816 PolarHBondContact O-N 3.4Å; Q814-N818 WeakPolarHBondContact O-CA 3.3Å; Q814-N818 PolarHBondContact O-N 3.4Å; Q814-N818 VanDerWaalsContact O-N 3.09Å; Q814-V819 VanDerWaalsContact CA-O 3.28Å; Q814-V819 WeakPolarHBondContact CA-O 3.43Å; Q814-V819 PolarHBondContact N-O 3.27Å; Q814-V819 VanDerWaalsContact N-O 3.08Å
815	N	94.1	Very high	94.6	Very high	45 Å²	45	55 Å²	55	24%	0.241	29%	0.292	C	S	.	.	H	α-helix	trans	-64.8	-37.8	-176.6	-73.5	-7.2	0	0	0	113.1	T811 L835 N837 Q839 N840	T811-N815 VanDerWaalsContact O-CB 3.22Å; T811-N815 WeakPolarHBondContact O-CB 3.26Å; T811-N815 PolarHBondContact O-N 3.16Å; T811-N815 PolarHBondContact O-ND2 2.9Å; N815-L835 WeakPolarHBondContact O-CD1 3.36Å; N815-N837 PolarHBondContact O-ND2 2.89Å; N815-N837 PolarHBondContact O-OD1 3.15Å; N815-Q839 PolarHBondContact ND2-OE1 3.33Å; N815-N840 WeakPolarHBondContact O-CB 3.43Å
816	I	93.3	Very high	94.2	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-98	-38.7	-174.6	-66.6	165.4	0	0	0	112.4	I791 L812 Q814 L832 P833 Q839 N840	I791-I816 HydrophobicContact CD1-CD1 3.51Å; L812-I816 HydrophobicContact CD2-CD1 4.15Å; L812-I816 WeakPolarHBondContact O-CB 3.35Å; L812-I816 PolarHBondContact O-N 3.32Å; Q814-I816 PolarHBondContact O-N 3.4Å; I816-L832 HydrophobicContact CG2-CD2 4.32Å; I816-P833 WeakPolarHBondContact O-CG 3.46Å; I816-Q839 HydrophobicContact CG1-CB 4.37Å; I816-N840 PolarHBondContact O-ND2 2.76Å
817	F	93.7	Very high	93.5	Very high	15 Å²	15	56 Å²	56	7%	0.066	31%	0.311	C	S	.	.	H	α-helix	trans	-113	-4.2	-170.9	-55.7	-72.8	0	0	0	114.6	I791 L802 V804 C813 V819 I825 L832 I862	I791-F817 HydrophobicContact CD1-CE2 3.96Å; L802-F817 HydrophobicContact CD2-CE1 3.58Å; L802-F817 HydrophobicContact CD2-CZ 3.72Å; V804-F817 HydrophobicContact CG1-CE2 4.49Å; V804-F817 HydrophobicContact CG2-CE2 4.07Å; V804-F817 HydrophobicContact CG2-CZ 3.68Å; C813-F817 CarbonylContact O-C 3.54Å; C813-F817 WeakPolarHBondContact O-CA 3.43Å; C813-F817 WeakPolarHBondContact O-CB 3.37Å; C813-F817 PolarHBondContact O-N 2.94Å; F817-V819 VanDerWaalsContact C-N 3.27Å; F817-V819 HydrophobicContact CB-CG2 4.05Å; F817-V819 PolarHBondContact O-N 3.13Å; F817-I825 HydrophobicContact CB-CG1 4.41Å; F817-I825 HydrophobicContact CD2-CD1 3.65Å; F817-I825 HydrophobicContact CD2-CG1 4.12Å; F817-I825 HydrophobicContact CE2-CD1 3.86Å; F817-I825 HydrophobicContact CG-CD1 4.27Å; F817-I825 HydrophobicContact CG-CG1 4.27Å; F817-L832 HydrophobicContact CD1-CD2 3.77Å; F817-L832 HydrophobicContact CE1-CD2 3.57Å; F817-I862 HydrophobicContact CD1-CD1 3.89Å; F817-I862 HydrophobicContact CE1-CD1 3.63Å; F817-I862 HydrophobicContact CE1-CG1 4.47Å
818	N	94.3	Very high	92.6	Very high	105 Å²	105	55.5 Å²	55.5	56%	0.561	31%	0.309	S	S	*	.	S	Bend	trans	57.1	35.9	-175.1	-158	37.4	0	0	0	114	C813 Q814 P833 L835	C813-N818 PolarHBondContact O-N 2.85Å; Q814-N818 WeakPolarHBondContact O-CA 3.3Å; Q814-N818 PolarHBondContact O-N 3.4Å; Q814-N818 VanDerWaalsContact O-N 3.09Å; N818-P833 HydrophobicContact CB-CB 4.34Å; N818-P833 HydrophobicContact CB-CG 4.16Å; N818-L835 HydrophobicContact CB-CD1 3.99Å; N818-L835 HydrophobicContact CB-CD2 3.97Å
819	V	94.5	Very high	91.3	Very high	28 Å²	28	58.5 Å²	58.5	17%	0.17	32%	0.324	C	S	.	.			trans	-127.1	155.7	177.6	-56	0	0	0	0	111.2	C813 Q814 F817 S821 E824 I825	C813-V819 CarbonylContact C-O 3.59Å; C813-V819 VanDerWaalsContact C-O 3.24Å; C813-V819 HydrophobicContact CB-CG2 4.06Å; C813-V819 PolarHBondContact O-N 2.81Å; Q814-V819 VanDerWaalsContact CA-O 3.28Å; Q814-V819 WeakPolarHBondContact CA-O 3.43Å; Q814-V819 PolarHBondContact N-O 3.27Å; Q814-V819 VanDerWaalsContact N-O 3.08Å; F817-V819 VanDerWaalsContact C-N 3.27Å; F817-V819 HydrophobicContact CB-CG2 4.05Å; F817-V819 PolarHBondContact O-N 3.13Å; V819-S821 WeakPolarHBondContact CG2-O 3.26Å; V819-E824 HydrophobicContact CB-CB 3.66Å; V819-E824 HydrophobicContact CG1-CB 4.03Å; V819-E824 HydrophobicContact CG2-CB 4.07Å; V819-I825 HydrophobicContact CG2-CG1 3.68Å
820	T	95	Very high	90.3	Very high	93 Å²	93	57.2 Å²	57.2	57%	0.571	31%	0.314	S	S	*	.	S	Bend	trans	-77.2	-25.4	-173.3	70.8	0	0	0	0	113.2	D810 E824	D810-T820 WeakPolarHBondContact CB-O 3.5Å; T820-E824 WeakPolarHBondContact CB-OE2 3.38Å; T820-E824 PolarHBondContact N-OE2 3.49Å; T820-E824 PolarHBondContact OG1-OE1 2.62Å; T820-E824 PolarHBondContact OG1-OE2 3.44Å
821	S	95.3	Very high	89.8	Confident	30 Å²	30	59 Å²	59	21%	0.21	32%	0.317	C	S	.	.	S	Bend	trans	-155.5	163.9	-178.1	68.8	0	0	0	0	112.8	D810 V819 K823 E824	D810-S821 WeakPolarHBondContact OD1-CA 3.21Å; V819-S821 WeakPolarHBondContact CG2-O 3.26Å; S821-K823 PolarHBondContact O-N 3.14Å; S821-E824 PolarHBondContact O-N 3.11Å
822	Y	94.9	Very high	89.5	Confident	16 Å²	16	55.2 Å²	55.2	6%	0.063	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-51.5	-30.3	177.2	171.3	-97.2	0	0	0	114.3	V804 G805 Q806 V808 C813 E824 I825 K864 E865 D866	V804-Y822 HydrophobicContact CB-CE2 4.25Å; V804-Y822 HydrophobicContact CG1-CD2 3.79Å; V804-Y822 HydrophobicContact CG1-CE2 3.86Å; G805-Y822 WeakPolarHBondContact O-CD2 3.5Å; G805-Y822 WeakPolarHBondContact O-CE2 3.25Å; Q806-Y822 HydrophobicContact CB-CE1 4.29Å; Q806-Y822 HydrophobicContact CG-CD1 4.32Å; Q806-Y822 HydrophobicContact CG-CE1 3.83Å; V808-Y822 HydrophobicContact CG1-CD2 3.78Å; V808-Y822 HydrophobicContact CG1-CG 4.34Å; C813-Y822 PolarHBondContact SG-N 3.06Å; Y822-E824 VanDerWaalsContact C-N 3.3Å; Y822-E824 PolarHBondContact O-N 2.99Å; Y822-I825 HydrophobicContact CD2-CD1 4.21Å; Y822-I825 PolarHBondContact O-N 3.23Å; Y822-K864 HydrophobicContact CE2-CB 4.25Å; Y822-K864 HydrophobicContact CE2-CG 4.24Å; Y822-K864 WeakPolarHBondContact O-CE 3.4Å; Y822-K864 WeakPolarHBondContact OH-CB 3.48Å; Y822-E865 PolarHBondContact OH-N 3.21Å; Y822-D866 WeakPolarHBondContact CE1-OD2 3.44Å; Y822-D866 PolarHBondContact OH-N 2.88Å; Y822-D866 VanDerWaalsContact OH-N 3.11Å; Y822-D866 PolarHBondContact OH-OD1 3.41Å
823	K	93.8	Very high	89.4	Confident	181 Å²	181	56 Å²	56	79%	0.787	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-68.6	-27.2	-178.5	-67.2	-178.1	-178.8	176.1	0	113.5	S821	S821-K823 PolarHBondContact O-N 3.14Å
824	E	93.8	Very high	89.4	Confident	96 Å²	96	62 Å²	62	45%	0.449	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-85.5	-10.2	-178.5	-70.3	173.3	-178.3	0	0	112.9	V819 T820 S821 Y822 V826	V819-E824 HydrophobicContact CB-CB 3.66Å; V819-E824 HydrophobicContact CG1-CB 4.03Å; V819-E824 HydrophobicContact CG2-CB 4.07Å; T820-E824 WeakPolarHBondContact CB-OE2 3.38Å; T820-E824 PolarHBondContact N-OE2 3.49Å; T820-E824 PolarHBondContact OG1-OE1 2.62Å; T820-E824 PolarHBondContact OG1-OE2 3.44Å; S821-E824 PolarHBondContact O-N 3.11Å; Y822-E824 VanDerWaalsContact C-N 3.3Å; Y822-E824 PolarHBondContact O-N 2.99Å; E824-V826 PolarHBondContact O-N 3.29Å
825	I	91.4	Very high	89.3	Confident	9 Å²	9	57.7 Å²	57.7	5%	0.046	31%	0.309	C	S	.	.			trans	-64.8	120.8	175.8	-59.6	176	0	0	0	109.1	V804 F817 V819 Y822 A827 I862 K864	V804-I825 HydrophobicContact CG1-CD1 3.88Å; F817-I825 HydrophobicContact CB-CG1 4.41Å; F817-I825 HydrophobicContact CD2-CD1 3.65Å; F817-I825 HydrophobicContact CD2-CG1 4.12Å; F817-I825 HydrophobicContact CE2-CD1 3.86Å; F817-I825 HydrophobicContact CG-CD1 4.27Å; F817-I825 HydrophobicContact CG-CG1 4.27Å; V819-I825 HydrophobicContact CG2-CG1 3.68Å; Y822-I825 HydrophobicContact CD2-CD1 4.21Å; Y822-I825 PolarHBondContact O-N 3.23Å; I825-A827 PolarHBondContact O-N 2.84Å; I825-I862 HydrophobicContact CG2-CD1 4.44Å; I825-I862 HydrophobicContact CG2-CG2 3.81Å; I825-K864 HydrophobicContact CB-CD 4.22Å; I825-K864 HydrophobicContact CG2-CD 4.38Å; I825-K864 HydrophobicContact CG2-CG 4.36Å; I825-K864 VanDerWaalsContact O-CD 3.31Å; I825-K864 WeakPolarHBondContact O-CD 3.23Å
826	V	87	Confident	89.2	Confident	93 Å²	93	65.3 Å²	65.3	56%	0.564	34%	0.343	S	S	*	.			trans	-78.2	111.7	175.9	-178.1	0	0	0	0	109.4	E824 L829	E824-V826 PolarHBondContact O-N 3.29Å; V826-L829 WeakPolarHBondContact O-CB 3.47Å
827	A	80.8	Confident	89.1	Confident	48 Å²	48	67.1 Å²	67.1	40%	0.397	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	146.7	173.2	0	0	0	0	0	111	I825 L829 K864	I825-A827 PolarHBondContact O-N 2.84Å; A827-L829 VanDerWaalsContact C-N 3.26Å; A827-L829 PolarHBondContact O-N 3.35Å; A827-K864 HydrophobicContact CB-CD 4.27Å; A827-K864 HydrophobicContact CB-CG 4.33Å
828	G	77	Confident	89	Confident	21 Å²	21	69.8 Å²	69.8	22%	0.216	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	-2.6	-178.1	0	0	0	0	0	115.7	I862	G828-I862 PolarHBondContact N-O 2.97Å
829	L	68.9	Low	88.9	Confident	71 Å²	71	66.8 Å²	66.8	37%	0.372	35%	0.352	S	S	.	.			trans	-57.4	137.4	173.3	-161.3	76.8	0	0	0	110.9	V826 A827 K831 I862	V826-L829 WeakPolarHBondContact O-CB 3.47Å; A827-L829 VanDerWaalsContact C-N 3.26Å; A827-L829 PolarHBondContact O-N 3.35Å; L829-K831 WeakPolarHBondContact CD2-O 3.49Å; L829-K831 WeakPolarHBondContact CG-O 3.35Å; L829-I862 HydrophobicContact CB-CD1 3.78Å; L829-I862 HydrophobicContact CB-CG1 4.17Å; L829-I862 HydrophobicContact CD2-CD1 3.97Å; L829-I862 HydrophobicContact CG-CD1 4.47Å; L829-I862 PolarHBondContact O-N 2.89Å
830	V	75.6	Confident	88.9	Confident	28 Å²	28	65.4 Å²	65.4	17%	0.17	34%	0.344	C	S	.	.			trans	-103.6	-9.3	-171.9	-170.3	0	0	0	0	113.6	P542 V546 P859 L860	P542-V830 HydrophobicContact CB-CG2 4.45Å; V546-V830 HydrophobicContact CB-CG1 4.03Å; V546-V830 HydrophobicContact CG1-CG1 4Å; V546-V830 HydrophobicContact CG2-CG1 3.89Å; V830-P859 HydrophobicContact CG1-CB 3.96Å; V830-L860 WeakPolarHBondContact CA-O 3.44Å; V830-L860 WeakPolarHBondContact O-CB 3.33Å
831	K	83.8	Confident	88.8	Confident	132 Å²	132	62.7 Å²	62.7	57%	0.574	33%	0.327	S	S	*	.	S	Bend	trans	-136.1	139.8	178.1	-165.2	-172.7	171.7	-179.1	0	110.2	L829 E834	L829-K831 WeakPolarHBondContact CD2-O 3.49Å; L829-K831 WeakPolarHBondContact CG-O 3.35Å; K831-E834 VanDerWaalsContact CE-OE1 3.3Å; K831-E834 WeakPolarHBondContact CE-OE1 3.27Å; K831-E834 IonicContact NZ-OE1 3.43Å; K831-E834 PolarHBondContact NZ-OE1 3.49Å
832	L	89.8	Confident	88.8	Confident	10 Å²	10	61.4 Å²	61.4	5%	0.052	32%	0.319	C	S	.	.			trans	-78.8	150.7	168.7	-68.1	174.5	0	0	0	110.6	L802 I816 F817 V843 R844 I847 L860 I862	L802-L832 HydrophobicContact CD2-CD2 3.89Å; I816-L832 HydrophobicContact CG2-CD2 4.32Å; F817-L832 HydrophobicContact CD1-CD2 3.77Å; F817-L832 HydrophobicContact CE1-CD2 3.57Å; L832-V843 HydrophobicContact CD1-CG1 3.56Å; L832-R844 HydrophobicContact CB-CG 4.36Å; L832-R844 HydrophobicContact CD1-CG 4.45Å; L832-I847 HydrophobicContact CD1-CD1 3.86Å; L832-L860 HydrophobicContact CD1-CD2 4.31Å; L832-L860 HydrophobicContact CD2-CD2 4.3Å; L832-L860 HydrophobicContact CG-CD2 3.81Å; L832-I862 HydrophobicContact CD2-CD1 4.43Å
833	P	91.9	Very high	88.7	Confident	36 Å²	36	60.7 Å²	60.7	23%	0.234	32%	0.316	C	S	.	.			trans	-63	153.6	170.4	30.5	-36.5	0	0	0	110.5	I816 N818 L835 N840	I816-P833 WeakPolarHBondContact O-CG 3.46Å; N818-P833 HydrophobicContact CB-CB 4.34Å; N818-P833 HydrophobicContact CB-CG 4.16Å; P833-L835 HydrophobicContact CB-CD2 4.38Å; P833-L835 HydrophobicContact CB-CG 4.21Å; P833-L835 HydrophobicContact CG-CD1 4.01Å; P833-L835 HydrophobicContact CG-CG 4.21Å; P833-N840 PolarHBondContact O-ND2 3.09Å; P833-N840 PolarHBondContact O-OD1 3.14Å
834	E	92.7	Very high	88.7	Confident	125 Å²	125	55 Å²	55	58%	0.584	29%	0.289	S	S	*	.			trans	-94.8	107.7	176	-62.4	-179.9	-150.9	0	0	108.4	K831	K831-E834 VanDerWaalsContact CE-OE1 3.3Å; K831-E834 WeakPolarHBondContact CE-OE1 3.27Å; K831-E834 IonicContact NZ-OE1 3.43Å; K831-E834 PolarHBondContact NZ-OE1 3.49Å
835	L	93.6	Very high	88.7	Confident	29 Å²	29	53.2 Å²	53.2	15%	0.152	28%	0.28	C	S	.	.			trans	-124.8	145.7	-176.9	-52.4	169	0	0	0	110	N815 N818 P833 N837 N840 R844	N815-L835 WeakPolarHBondContact O-CD1 3.36Å; N818-L835 HydrophobicContact CB-CD1 3.99Å; N818-L835 HydrophobicContact CB-CD2 3.97Å; P833-L835 HydrophobicContact CB-CD2 4.38Å; P833-L835 HydrophobicContact CB-CG 4.21Å; P833-L835 HydrophobicContact CG-CD1 4.01Å; P833-L835 HydrophobicContact CG-CG 4.21Å; L835-N837 WeakPolarHBondContact CB-ND2 3.4Å; L835-N837 PolarHBondContact O-N 2.92Å; L835-N837 VanDerWaalsContact O-N 3.15Å; L835-N840 HydrophobicContact CB-CB 3.88Å; L835-N840 HydrophobicContact CD1-CB 4.4Å; L835-N840 PolarHBondContact N-OD1 3.15Å; L835-N840 PolarHBondContact O-OD1 2.87Å; L835-R844 PolarHBondContact O-NH2 2.78Å; L835-R844 VanDerWaalsContact O-NH2 3.14Å
836	E	91	Very high	88.8	Confident	205 Å²	205	53.4 Å²	53.4	96%	0.958	28%	0.281	S	S	*	.	S	Bend	trans	-88	44.2	-178	-59.1	-174.3	163.3	0	0	112.3
837	N	92.5	Very high	89.1	Confident	39 Å²	39	49.1 Å²	49.1	21%	0.209	26%	0.255	C	S	.	.	S	Bend	trans	-122.5	148.2	173.2	73.6	77	0	0	0	111.3	N815 L835 Q839 N840 V841	N815-N837 PolarHBondContact O-ND2 2.89Å; N815-N837 PolarHBondContact O-OD1 3.15Å; L835-N837 WeakPolarHBondContact CB-ND2 3.4Å; L835-N837 PolarHBondContact O-N 2.92Å; L835-N837 VanDerWaalsContact O-N 3.15Å; N837-Q839 PolarHBondContact O-N 2.84Å; N837-Q839 VanDerWaalsContact O-N 3.13Å; N837-Q839 PolarHBondContact OD1-N 3.17Å; N837-N840 PolarHBondContact O-N 3.16Å; N837-N840 VanDerWaalsContact O-N 3.14Å; N837-N840 PolarHBondContact OD1-N 3.48Å; N837-V841 WeakPolarHBondContact O-CG2 3.42Å; N837-V841 PolarHBondContact O-N 3.48Å
838	V	91.5	Very high	89.7	Confident	70 Å²	70	50.9 Å²	50.9	42%	0.424	26%	0.257	S	S	.	.	H	α-helix	trans	-51.7	-41.1	-173.5	179	0	0	0	0	112.3	E772 A842	E772-V838 HydrophobicContact CG-CG1 4.13Å; V838-A842 WeakPolarHBondContact O-CB 3.31Å; V838-A842 PolarHBondContact O-N 3.08Å
839	Q	91.5	Very high	90.4	Very high	42 Å²	42	54.1 Å²	54.1	20%	0.196	27%	0.267	C	S	.	.	H	α-helix	trans	-68.5	-48	-178.2	-66.4	-178.9	-39.3	0	0	111.7	N815 I816 N837 A842 V843	N815-Q839 PolarHBondContact ND2-OE1 3.33Å; I816-Q839 HydrophobicContact CG1-CB 4.37Å; N837-Q839 PolarHBondContact O-N 2.84Å; N837-Q839 VanDerWaalsContact O-N 3.13Å; N837-Q839 PolarHBondContact OD1-N 3.17Å; Q839-A842 PolarHBondContact O-N 3.29Å; Q839-V843 WeakPolarHBondContact O-CB 3.38Å; Q839-V843 WeakPolarHBondContact O-CG2 3.48Å; Q839-V843 PolarHBondContact O-N 3.34Å
840	N	94.1	Very high	91.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.4	-42.4	177	-177.4	-90.2	0	0	0	112.5	N815 I816 P833 L835 N837 R844	N815-N840 WeakPolarHBondContact O-CB 3.43Å; I816-N840 PolarHBondContact O-ND2 2.76Å; P833-N840 PolarHBondContact O-ND2 3.09Å; P833-N840 PolarHBondContact O-OD1 3.14Å; L835-N840 HydrophobicContact CB-CB 3.88Å; L835-N840 HydrophobicContact CD1-CB 4.4Å; L835-N840 PolarHBondContact N-OD1 3.15Å; L835-N840 PolarHBondContact O-OD1 2.87Å; N837-N840 PolarHBondContact O-N 3.16Å; N837-N840 VanDerWaalsContact O-N 3.14Å; N837-N840 PolarHBondContact OD1-N 3.48Å; N840-R844 WeakPolarHBondContact O-CB 3.4Å; N840-R844 WeakPolarHBondContact O-CG 3.24Å; N840-R844 PolarHBondContact O-N 2.74Å; N840-R844 VanDerWaalsContact OD1-CZ 3.32Å; N840-R844 PolarHBondContact OD1-NE 2.94Å; N840-R844 PolarHBondContact OD1-NH2 3.46Å; N840-R844 VanDerWaalsContact OD1-NH2 3.09Å
841	V	94.4	Very high	92.3	Very high	35 Å²	35	53.6 Å²	53.6	21%	0.212	26%	0.259	C	S	.	.	H	α-helix	trans	-64.1	-47.9	177.7	177.1	0	0	0	0	110.5	E772 N837 V843 R844 K845	E772-V841 VanDerWaalsContact CD-CG1 3.45Å; E772-V841 HydrophobicContact CG-CB 4.39Å; E772-V841 HydrophobicContact CG-CG1 4.05Å; N837-V841 WeakPolarHBondContact O-CG2 3.42Å; N837-V841 PolarHBondContact O-N 3.48Å; V841-V843 PolarHBondContact O-N 3.48Å; V841-R844 PolarHBondContact O-N 3.03Å; V841-K845 WeakPolarHBondContact O-CB 3.31Å; V841-K845 PolarHBondContact O-N 2.9Å
842	A	93.9	Very high	92.4	Very high	4 Å²	4	52.1 Å²	52.1	3%	0.033	26%	0.264	C	S	.	.	H	α-helix	trans	-57.8	-48.7	176.3	0	0	0	0	0	112.2	F769 V838 Q839 K845 F846	F769-A842 HydrophobicContact CB-CB 4.03Å; F769-A842 HydrophobicContact CD1-CB 4.45Å; F769-A842 HydrophobicContact CD2-CB 4.04Å; F769-A842 HydrophobicContact CG-CB 3.95Å; V838-A842 WeakPolarHBondContact O-CB 3.31Å; V838-A842 PolarHBondContact O-N 3.08Å; Q839-A842 PolarHBondContact O-N 3.29Å; A842-K845 PolarHBondContact O-N 3.14Å; A842-F846 WeakPolarHBondContact O-CB 3.11Å; A842-F846 PolarHBondContact O-N 2.85Å
843	V	94	Very high	91.9	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.006	29%	0.291	C	S	.	.	H	α-helix	trans	-63	-46.5	-180	174	0	0	0	0	111.8	I766 F769 L832 Q839 V841 F846 I847	I766-V843 HydrophobicContact CB-CG2 4.28Å; I766-V843 HydrophobicContact CD1-CB 4.5Å; I766-V843 HydrophobicContact CD1-CG1 3.71Å; I766-V843 HydrophobicContact CD1-CG2 3.86Å; F769-V843 HydrophobicContact CD2-CG2 3.65Å; F769-V843 HydrophobicContact CE2-CG2 3.88Å; L832-V843 HydrophobicContact CD1-CG1 3.56Å; Q839-V843 WeakPolarHBondContact O-CB 3.38Å; Q839-V843 WeakPolarHBondContact O-CG2 3.48Å; Q839-V843 PolarHBondContact O-N 3.34Å; V841-V843 PolarHBondContact O-N 3.48Å; V843-F846 PolarHBondContact O-N 2.97Å; V843-I847 HydrophobicContact CG1-CD1 3.86Å; V843-I847 WeakPolarHBondContact O-CG1 3.45Å; V843-I847 PolarHBondContact O-N 3.45Å
844	R	93.6	Very high	91.6	Very high	60 Å²	60	54.5 Å²	54.5	23%	0.226	28%	0.284	C	S	.	.	H	α-helix	trans	-62.1	-50.7	177.2	-76.3	-170.6	-68.4	136.7	-7.8	111.2	L832 L835 N840 V841 F846 I847 D848	L832-R844 HydrophobicContact CB-CG 4.36Å; L832-R844 HydrophobicContact CD1-CG 4.45Å; L835-R844 PolarHBondContact O-NH2 2.78Å; L835-R844 VanDerWaalsContact O-NH2 3.14Å; N840-R844 WeakPolarHBondContact O-CB 3.4Å; N840-R844 WeakPolarHBondContact O-CG 3.24Å; N840-R844 PolarHBondContact O-N 2.74Å; N840-R844 VanDerWaalsContact OD1-CZ 3.32Å; N840-R844 PolarHBondContact OD1-NE 2.94Å; N840-R844 PolarHBondContact OD1-NH2 3.46Å; N840-R844 VanDerWaalsContact OD1-NH2 3.09Å; V841-R844 PolarHBondContact O-N 3.03Å; R844-F846 VanDerWaalsContact C-N 3.29Å; R844-F846 PolarHBondContact O-N 3.39Å; R844-I847 PolarHBondContact O-N 3.19Å; R844-I847 VanDerWaalsContact O-N 3.12Å; R844-D848 WeakPolarHBondContact O-CB 3.27Å; R844-D848 VanDerWaalsContact O-CG 3.3Å; R844-D848 PolarHBondContact O-N 3.06Å
845	K	93.7	Very high	91	Very high	60 Å²	60	51.3 Å²	51.3	26%	0.261	27%	0.274	S	S	.	.	H	α-helix	trans	-56.4	-41.2	178	-179.5	176.7	168.6	-165.5	0	112.1	E772 D773 V841 A842 D848 Q849	E772-K845 WeakPolarHBondContact O-CD 3.43Å; E772-K845 VanDerWaalsContact O-CE 3.32Å; E772-K845 WeakPolarHBondContact O-CE 3.37Å; E772-K845 PolarHBondContact O-NZ 3.36Å; D773-K845 IonicContact OD1-NZ 2.65Å; D773-K845 PolarHBondContact OD1-NZ 3.04Å; V841-K845 WeakPolarHBondContact O-CB 3.31Å; V841-K845 PolarHBondContact O-N 2.9Å; A842-K845 PolarHBondContact O-N 3.14Å; K845-D848 PolarHBondContact O-N 3.14Å; K845-Q849 WeakPolarHBondContact O-CB 3.44Å; K845-Q849 VanDerWaalsContact O-CG 3.23Å; K845-Q849 WeakPolarHBondContact O-CG 3.44Å; K845-Q849 PolarHBondContact O-N 3.13Å
846	F	94	Very high	90.5	Very high	12 Å²	12	52.1 Å²	52.1	5%	0.053	28%	0.278	C	S	.	.	H	α-helix	trans	-68	-42.6	176.1	-175.9	-117.8	0	0	0	112.6	Y764 I766 F769 I775 P776 L793 A842 V843 R844 D848 Q849 L850	Y764-F846 HydrophobicContact CD1-CE1 4.16Å; Y764-F846 AromaticContact CD1-CZ 3.83Å; Y764-F846 HydrophobicContact CD1-CZ 3.83Å; Y764-F846 AromaticContact CD2-CE1 3.82Å; Y764-F846 HydrophobicContact CD2-CE1 3.82Å; Y764-F846 HydrophobicContact CD2-CZ 4.03Å; Y764-F846 HydrophobicContact CE1-CE1 4.48Å; Y764-F846 AromaticContact CE1-CZ 3.78Å; Y764-F846 HydrophobicContact CE1-CZ 3.78Å; Y764-F846 HydrophobicContact CE2-CE1 4.18Å; Y764-F846 HydrophobicContact CE2-CZ 4Å; Y764-F846 AromaticContact CG-CE1 3.8Å; Y764-F846 HydrophobicContact CG-CE1 3.8Å; Y764-F846 AromaticContact CG-CZ 3.94Å; Y764-F846 HydrophobicContact CG-CZ 3.94Å; Y764-F846 AromaticContact CZ-CZ 3.87Å; I766-F846 HydrophobicContact CG2-CD1 4.48Å; F769-F846 HydrophobicContact CZ-CB 4.16Å; F769-F846 HydrophobicContact CZ-CD1 4.15Å; F769-F846 HydrophobicContact CZ-CG 4.14Å; I775-F846 HydrophobicContact CG2-CE2 4.46Å; P776-F846 HydrophobicContact CG-CD1 3.98Å; P776-F846 HydrophobicContact CG-CD2 4.44Å; P776-F846 HydrophobicContact CG-CE1 3.45Å; P776-F846 VanDerWaalsContact CG-CE1 3.45Å; P776-F846 HydrophobicContact CG-CE2 3.99Å; P776-F846 HydrophobicContact CG-CG 4.45Å; P776-F846 HydrophobicContact CG-CZ 3.47Å; P776-F846 VanDerWaalsContact CG-CZ 3.47Å; L793-F846 HydrophobicContact CD2-CD1 3.94Å; L793-F846 HydrophobicContact CD2-CE1 3.95Å; A842-F846 WeakPolarHBondContact O-CB 3.11Å; A842-F846 PolarHBondContact O-N 2.85Å; V843-F846 PolarHBondContact O-N 2.97Å; R844-F846 VanDerWaalsContact C-N 3.29Å; R844-F846 PolarHBondContact O-N 3.39Å; F846-D848 VanDerWaalsContact C-N 3.32Å; F846-D848 PolarHBondContact O-N 3.17Å; F846-Q849 WeakPolarHBondContact O-CB 3.22Å; F846-Q849 PolarHBondContact O-N 3.24Å; F846-L850 HydrophobicContact CD1-CD1 4.29Å; F846-L850 HydrophobicContact CE1-CD1 3.82Å; F846-L850 HydrophobicContact CE1-CG 4.4Å; F846-L850 HydrophobicContact CE2-CD2 4.42Å; F846-L850 HydrophobicContact CE2-CG 4.39Å; F846-L850 HydrophobicContact CZ-CD1 4.01Å; F846-L850 HydrophobicContact CZ-CD2 4.23Å; F846-L850 HydrophobicContact CZ-CG 4.2Å; F846-L850 WeakPolarHBondContact O-CG 3.29Å; F846-L850 PolarHBondContact O-N 2.88Å
847	I	93.7	Very high	90.2	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-59.9	-43	173.4	-74.6	167.3	0	0	0	111.1	L793 L800 L832 V843 R844 L850 R851 L860	L793-I847 HydrophobicContact CD1-CG1 4.48Å; L793-I847 HydrophobicContact CD2-CG1 3.76Å; L800-I847 HydrophobicContact CD1-CG1 4.5Å; L800-I847 HydrophobicContact CD1-CG2 3.84Å; L832-I847 HydrophobicContact CD1-CD1 3.86Å; V843-I847 HydrophobicContact CG1-CD1 3.86Å; V843-I847 WeakPolarHBondContact O-CG1 3.45Å; V843-I847 PolarHBondContact O-N 3.45Å; R844-I847 PolarHBondContact O-N 3.19Å; R844-I847 VanDerWaalsContact O-N 3.12Å; I847-L850 PolarHBondContact O-N 3.15Å; I847-R851 WeakPolarHBondContact O-CG 3.18Å; I847-R851 PolarHBondContact O-N 3.11Å; I847-L860 HydrophobicContact CD1-CD1 3.97Å; I847-L860 HydrophobicContact CD1-CD2 4.21Å
848	D	92.4	Very high	90.1	Very high	84 Å²	84	41 Å²	41	45%	0.449	23%	0.226	S	C	.	.	H	α-helix	trans	-71.8	-31.5	179.9	-65.5	-26.9	0	0	0	112.2	R844 K845 F846 R851 S852	R844-D848 WeakPolarHBondContact O-CB 3.27Å; R844-D848 VanDerWaalsContact O-CG 3.3Å; R844-D848 PolarHBondContact O-N 3.06Å; K845-D848 PolarHBondContact O-N 3.14Å; F846-D848 VanDerWaalsContact C-N 3.32Å; F846-D848 PolarHBondContact O-N 3.17Å; D848-R851 PolarHBondContact O-N 3.42Å; D848-S852 VanDerWaalsContact O-CB 3.23Å; D848-S852 WeakPolarHBondContact O-CB 3.44Å; D848-S852 PolarHBondContact O-N 3.14Å; D848-S852 PolarHBondContact O-OG 2.98Å
849	Q	92.2	Very high	90.1	Very high	90 Å²	90	37.6 Å²	37.6	42%	0.421	21%	0.206	S	C	.	.	H	α-helix	trans	-63.1	-45.8	168.2	-76.9	171.4	7	0	0	111.9	K845 F846 R851 S852 A853	K845-Q849 WeakPolarHBondContact O-CB 3.44Å; K845-Q849 VanDerWaalsContact O-CG 3.23Å; K845-Q849 WeakPolarHBondContact O-CG 3.44Å; K845-Q849 PolarHBondContact O-N 3.13Å; F846-Q849 WeakPolarHBondContact O-CB 3.22Å; F846-Q849 PolarHBondContact O-N 3.24Å; Q849-R851 VanDerWaalsContact C-N 3.31Å; Q849-R851 PolarHBondContact O-N 3.27Å; Q849-S852 PolarHBondContact O-OG 3.29Å; Q849-A853 PolarHBondContact O-N 3.3Å
850	L	92.1	Very high	90.3	Very high	22 Å²	22	35.8 Å²	35.8	12%	0.115	20%	0.197	C	C	.	.	H	α-helix	trans	-62.3	-39	177.3	-69.3	176.9	0	0	0	111.9	Y764 L793 L800 F846 I847 R854	Y764-L850 HydrophobicContact CE2-CD1 4.1Å; Y764-L850 HydrophobicContact CE2-CD2 4.47Å; L793-L850 HydrophobicContact CD2-CD1 3.85Å; L800-L850 HydrophobicContact CD2-CD1 4.32Å; F846-L850 HydrophobicContact CD1-CD1 4.29Å; F846-L850 HydrophobicContact CE1-CD1 3.82Å; F846-L850 HydrophobicContact CE1-CG 4.4Å; F846-L850 HydrophobicContact CE2-CD2 4.42Å; F846-L850 HydrophobicContact CE2-CG 4.39Å; F846-L850 HydrophobicContact CZ-CD1 4.01Å; F846-L850 HydrophobicContact CZ-CD2 4.23Å; F846-L850 HydrophobicContact CZ-CG 4.2Å; F846-L850 WeakPolarHBondContact O-CG 3.29Å; F846-L850 PolarHBondContact O-N 2.88Å; I847-L850 PolarHBondContact O-N 3.15Å; L850-R854 WeakPolarHBondContact O-CD 3.29Å; L850-R854 PolarHBondContact O-NE 2.99Å
851	R	90.8	Very high	90.2	Very high	66 Å²	66	38.1 Å²	38.1	25%	0.249	21%	0.206	C	C	.	.	H	α-helix	trans	-72.6	-49.4	178.7	-75.1	170.4	167.7	175.1	-8.7	113.2	L800 I847 D848 Q849 A853 R854 S858 L860	L800-R851 HydrophobicContact CD1-CG 4.22Å; I847-R851 WeakPolarHBondContact O-CG 3.18Å; I847-R851 PolarHBondContact O-N 3.11Å; D848-R851 PolarHBondContact O-N 3.42Å; Q849-R851 VanDerWaalsContact C-N 3.31Å; Q849-R851 PolarHBondContact O-N 3.27Å; R851-A853 PolarHBondContact O-N 2.95Å; R851-A853 VanDerWaalsContact O-N 3.08Å; R851-R854 WeakPolarHBondContact O-CB 3.42Å; R851-R854 PolarHBondContact O-N 2.6Å; R851-S858 PolarHBondContact NE-O 3.5Å; R851-S858 PolarHBondContact NH2-O 3.23Å; R851-L860 VanDerWaalsContact NH2-N 3.11Å
852	S	86.7	Confident	90.2	Very high	100 Å²	100	36.5 Å²	36.5	70%	0.699	20%	0.197	S	C	*	.	H	α-helix	trans	-63.1	-16.7	-177.9	56.6	0	0	0	0	114.1	D848 Q849 R854	D848-S852 VanDerWaalsContact O-CB 3.23Å; D848-S852 WeakPolarHBondContact O-CB 3.44Å; D848-S852 PolarHBondContact O-N 3.14Å; D848-S852 PolarHBondContact O-OG 2.98Å; Q849-S852 PolarHBondContact O-OG 3.29Å; S852-R854 PolarHBondContact O-N 2.94Å
853	A	79.7	Confident	90.3	Very high	73 Å²	73	36.3 Å²	36.3	60%	0.603	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-5.7	169.4	0	0	0	0	0	114.5	Q849 R851	Q849-A853 PolarHBondContact O-N 3.3Å; R851-A853 PolarHBondContact O-N 2.95Å; R851-A853 VanDerWaalsContact O-N 3.08Å
854	R	84.9	Confident	90.3	Very high	24 Å²	24	37.2 Å²	37.2	9%	0.091	20%	0.199	C	C	.	.			trans	-126.2	137.6	-167.6	-54.4	173.3	-161.9	-153.8	-12	112.7	Y754 D795 G797 L850 R851 S852 S858	Y754-R854 HydrophobicContact CE1-CB 4.35Å; Y754-R854 HydrophobicContact CE1-CG 3.99Å; D795-R854 IonicContact OD1-CZ 2.8Å; D795-R854 VanDerWaalsContact OD1-CZ 3.28Å; D795-R854 IonicContact OD1-NH1 3.51Å; D795-R854 PolarHBondContact OD1-NH1 2.62Å; D795-R854 IonicContact OD1-NH2 2.82Å; D795-R854 PolarHBondContact OD1-NH2 2.69Å; D795-R854 IonicContact OD2-CZ 3.23Å; D795-R854 IonicContact OD2-NH1 2.72Å; D795-R854 IonicContact OD2-NH2 3.17Å; D795-R854 PolarHBondContact OD2-NH2 3.01Å; G797-R854 PolarHBondContact O-NH1 3.16Å; L850-R854 WeakPolarHBondContact O-CD 3.29Å; L850-R854 PolarHBondContact O-NE 2.99Å; R851-R854 WeakPolarHBondContact O-CB 3.42Å; R851-R854 PolarHBondContact O-N 2.6Å; S852-R854 PolarHBondContact O-N 2.94Å; R854-S858 PolarHBondContact NH1-OG 2.91Å
855	P	81.2	Confident	90.4	Very high	57 Å²	57	35.7 Å²	35.7	37%	0.37	19%	0.194	S	C	.	.	S	Bend	trans	-68.7	-21.5	162.1	18.8	-35.4	0	0	0	117.1	R554 Y754	R554-P855 WeakPolarHBondContact CB-O 3.49Å; R554-P855 WeakPolarHBondContact CD-O 3.44Å; R554-P855 HydrophobicContact CG-CB 4.42Å; R554-P855 VanDerWaalsContact CG-O 3.28Å; R554-P855 WeakPolarHBondContact CG-O 3.29Å; Y754-P855 WeakPolarHBondContact OH-CD 3.49Å
856	L	82.9	Confident	90.4	Very high	46 Å²	46	36.7 Å²	36.7	24%	0.241	20%	0.203	C	C	.	.	S	Bend	trans	-107.9	159.2	-173.2	-72.9	171.2	0	0	0	112.1	R554	R554-L856 HydrophobicContact CB-CD2 4.34Å; R554-L856 HydrophobicContact CG-CD2 3.89Å
857	A	83.1	Confident	90.3	Very high	8 Å²	8	36.9 Å²	36.9	7%	0.066	21%	0.205	C	C	.	.			trans	-57.5	150.6	-178.9	0	0	0	0	0	112.5	R547 E550 D551	R547-A857 HydrophobicContact CG-CB 4.22Å; E550-A857 HydrophobicContact CB-CB 3.51Å; E550-A857 WeakPolarHBondContact OE2-CB 3.3Å; D551-A857 WeakPolarHBondContact OD1-CB 3.47Å; D551-A857 PolarHBondContact OD1-N 2.77Å; D551-A857 VanDerWaalsContact OD1-N 3.09Å
858	S	91.3	Very high	90.2	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.014	24%	0.243	C	C	.	.			trans	-148.3	70.6	167.9	-68.9	0	0	0	0	108.5	G797 R851 R854	G797-S858 PolarHBondContact O-OG 2.89Å; R851-S858 PolarHBondContact NE-O 3.5Å; R851-S858 PolarHBondContact NH2-O 3.23Å; R854-S858 PolarHBondContact NH1-OG 2.91Å
859	P	92.5	Very high	90.1	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.231	C	C	.	.			trans	-58.8	142.4	179	25.5	-36	0	0	0	110.4	T543 V546 R547 Y799 L800 V830	T543-P859 HydrophobicContact CG2-CB 4.21Å; T543-P859 HydrophobicContact CG2-CG 4.11Å; V546-P859 HydrophobicContact CB-CB 4.38Å; V546-P859 HydrophobicContact CG1-CB 4.05Å; R547-P859 HydrophobicContact CB-CG 3.96Å; R547-P859 HydrophobicContact CG-CG 4.25Å; Y799-P859 HydrophobicContact CD1-CG 4.01Å; Y799-P859 HydrophobicContact CE1-CG 4.44Å; L800-P859 PolarHBondContact N-O 2.8Å; V830-P859 HydrophobicContact CG1-CB 3.96Å
860	L	94	Very high	90.2	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.016	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	145.5	172.8	-167.3	70	0	0	0	107.9	L793 L800 L802 V830 L832 I847 R851	L793-L860 HydrophobicContact CD1-CD1 3.98Å; L800-L860 HydrophobicContact CB-CD1 3.73Å; L800-L860 CarbonylContact O-C 3.43Å; L800-L860 VanDerWaalsContact O-CA 3.3Å; L800-L860 WeakPolarHBondContact O-CA 3.47Å; L802-L860 HydrophobicContact CB-CD1 4.07Å; L802-L860 HydrophobicContact CB-CG 4.44Å; L802-L860 HydrophobicContact CD2-CD2 4.48Å; V830-L860 WeakPolarHBondContact CA-O 3.44Å; V830-L860 WeakPolarHBondContact O-CB 3.33Å; L832-L860 HydrophobicContact CD1-CD2 4.31Å; L832-L860 HydrophobicContact CD2-CD2 4.3Å; L832-L860 HydrophobicContact CG-CD2 3.81Å; I847-L860 HydrophobicContact CD1-CD1 3.97Å; I847-L860 HydrophobicContact CD1-CD2 4.21Å; R851-L860 VanDerWaalsContact NH2-N 3.11Å
861	R	93.6	Very high	90.2	Very high	50 Å²	50	45.2 Å²	45.2	19%	0.189	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	115.4	168.7	-179.3	176.1	177.4	150	-2.3	108.9	T543 L800 F801 L802 I863 S869	T543-R861 HydrophobicContact CG2-CB 4.23Å; L800-R861 PolarHBondContact O-N 3.44Å; F801-R861 HydrophobicContact CD1-CB 4.18Å; L802-R861 PolarHBondContact N-O 2.85Å; R861-I863 HydrophobicContact CG-CG1 4.37Å; R861-I863 PolarHBondContact O-N 2.89Å; R861-S869 PolarHBondContact NH2-OG 3.43Å
862	I	94.4	Very high	90.3	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	124.7	172.4	-54.2	-173.8	0	0	0	109.4	L802 V804 F817 I825 G828 L829 L832	L802-I862 HydrophobicContact CD2-CG1 4.15Å; V804-I862 HydrophobicContact CG2-CG2 4.08Å; F817-I862 HydrophobicContact CD1-CD1 3.89Å; F817-I862 HydrophobicContact CE1-CD1 3.63Å; F817-I862 HydrophobicContact CE1-CG1 4.47Å; I825-I862 HydrophobicContact CG2-CD1 4.44Å; I825-I862 HydrophobicContact CG2-CG2 3.81Å; G828-I862 PolarHBondContact N-O 2.97Å; L829-I862 HydrophobicContact CB-CD1 3.78Å; L829-I862 HydrophobicContact CB-CG1 4.17Å; L829-I862 HydrophobicContact CD2-CD1 3.97Å; L829-I862 HydrophobicContact CG-CD1 4.47Å; L829-I862 PolarHBondContact O-N 2.89Å; L832-I862 HydrophobicContact CD2-CD1 4.43Å
863	I	95.1	Very high	90.7	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	108.7	176	-60.1	179.2	0	0	0	107.7	F801 L802 Y803 V804 R861 L872 F873	F801-I863 HydrophobicContact CB-CD1 3.9Å; F801-I863 HydrophobicContact CD1-CD1 4.06Å; F801-I863 HydrophobicContact CD2-CD1 4.38Å; F801-I863 HydrophobicContact CG-CD1 3.87Å; L802-I863 PolarHBondContact O-N 3.43Å; Y803-I863 WeakPolarHBondContact CA-O 3.45Å; Y803-I863 HydrophobicContact CD2-CB 4.44Å; Y803-I863 HydrophobicContact CD2-CG2 4.01Å; Y803-I863 HydrophobicContact CE2-CG2 4.49Å; V804-I863 PolarHBondContact N-O 3.09Å; R861-I863 HydrophobicContact CG-CG1 4.37Å; R861-I863 PolarHBondContact O-N 2.89Å; I863-L872 HydrophobicContact CD1-CB 3.99Å; I863-F873 HydrophobicContact CD1-CB 4.13Å
864	K	95	Very high	91.4	Very high	20 Å²	20	38.7 Å²	38.7	9%	0.087	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	141.2	169.9	-67.9	-179.6	69.5	-113.7	0	109.7	Y822 I825 A827 D866 S867	Y822-K864 HydrophobicContact CE2-CB 4.25Å; Y822-K864 HydrophobicContact CE2-CG 4.24Å; Y822-K864 WeakPolarHBondContact O-CE 3.4Å; Y822-K864 WeakPolarHBondContact OH-CB 3.48Å; I825-K864 HydrophobicContact CB-CD 4.22Å; I825-K864 HydrophobicContact CG2-CD 4.38Å; I825-K864 HydrophobicContact CG2-CG 4.36Å; I825-K864 VanDerWaalsContact O-CD 3.31Å; I825-K864 WeakPolarHBondContact O-CD 3.23Å; A827-K864 HydrophobicContact CB-CD 4.27Å; A827-K864 HydrophobicContact CB-CG 4.33Å; K864-D866 WeakPolarHBondContact CB-OD1 3.48Å; K864-D866 IonicContact NZ-OD1 3.2Å; K864-D866 PolarHBondContact NZ-OD1 2.91Å; K864-D866 IonicContact NZ-OD2 3.21Å; K864-D866 PolarHBondContact NZ-OD2 3.3Å; K864-D866 PolarHBondContact O-N 3.46Å; K864-S867 WeakPolarHBondContact O-CB 3.21Å; K864-S867 PolarHBondContact O-N 3.33Å; K864-S867 PolarHBondContact O-OG 3.15Å
865	E	94.6	Very high	91.8	Very high	27 Å²	27	41.8 Å²	41.8	13%	0.126	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-30.8	175.6	175	164.1	-157.4	0	0	114	Y803 V804 Q806 Y822 R870	Y803-E865 HydrophobicContact CE2-CB 4.29Å; Y803-E865 WeakPolarHBondContact OH-CB 3.34Å; Y803-E865 VanDerWaalsContact OH-CG 3.23Å; Y803-E865 WeakPolarHBondContact OH-CG 3.43Å; V804-E865 WeakPolarHBondContact O-CB 3.44Å; V804-E865 PolarHBondContact O-N 3.01Å; Q806-E865 HydrophobicContact CB-CB 4.34Å; Q806-E865 HydrophobicContact CB-CG 4.44Å; Q806-E865 PolarHBondContact N-OE2 2.93Å; Y822-E865 PolarHBondContact OH-N 3.21Å; E865-R870 VanDerWaalsContact CG-NH1 3.34Å; E865-R870 WeakPolarHBondContact O-CD 3.27Å; E865-R870 PolarHBondContact O-NH1 2.93Å; E865-R870 IonicContact OE1-CZ 2.68Å; E865-R870 IonicContact OE1-NH1 3.09Å; E865-R870 PolarHBondContact OE1-NH1 3.47Å; E865-R870 IonicContact OE1-NH2 3.99Å; E865-R870 PolarHBondContact OE1-NH2 3.23Å
866	D	93.4	Very high	92.4	Very high	82 Å²	82	40.5 Å²	40.5	44%	0.439	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-2.2	178.6	67.3	-3.4	0	0	0	113.9	Y822 K864	Y822-D866 WeakPolarHBondContact CE1-OD2 3.44Å; Y822-D866 PolarHBondContact OH-N 2.88Å; Y822-D866 VanDerWaalsContact OH-N 3.11Å; Y822-D866 PolarHBondContact OH-OD1 3.41Å; K864-D866 WeakPolarHBondContact CB-OD1 3.48Å; K864-D866 IonicContact NZ-OD1 3.2Å; K864-D866 PolarHBondContact NZ-OD1 2.91Å; K864-D866 IonicContact NZ-OD2 3.21Å; K864-D866 PolarHBondContact NZ-OD2 3.3Å; K864-D866 PolarHBondContact O-N 3.46Å
867	S	92.2	Very high	93.1	Very high	15 Å²	15	38.6 Å²	38.6	11%	0.105	20%	0.204	C	C	.	.	S	Bend	trans	-87.1	150.4	-175.9	72.5	0	0	0	0	112.7	K864 S869 R870	K864-S867 WeakPolarHBondContact O-CB 3.21Å; K864-S867 PolarHBondContact O-N 3.33Å; K864-S867 PolarHBondContact O-OG 3.15Å; S867-S869 PolarHBondContact O-N 3.44Å; S867-S869 VanDerWaalsContact O-N 3.08Å; S867-S869 PolarHBondContact OG-N 3.23Å; S867-R870 WeakPolarHBondContact O-CB 3.22Å; S867-R870 PolarHBondContact O-N 3.12Å
868	P	90.8	Very high	93.7	Very high	125 Å²	125	38.6 Å²	38.6	81%	0.812	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-22.9	169.6	-25	34.6	0	0	0	113.5	R870	P868-R870 PolarHBondContact O-N 3.49Å
869	S	91.1	Very high	93.9	Very high	29 Å²	29	39.6 Å²	39.6	20%	0.203	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-5.8	174.6	-67.3	0	0	0	0	114.1	R861 S867 E871 L872	R861-S869 PolarHBondContact NH2-OG 3.43Å; S867-S869 PolarHBondContact O-N 3.44Å; S867-S869 VanDerWaalsContact O-N 3.08Å; S867-S869 PolarHBondContact OG-N 3.23Å; S869-E871 PolarHBondContact O-N 2.88Å; S869-E871 VanDerWaalsContact O-N 3.15Å; S869-L872 WeakPolarHBondContact O-CB 3.11Å; S869-L872 PolarHBondContact O-N 3.33Å
870	R	94.1	Very high	94.1	Very high	82 Å²	82	41.7 Å²	41.7	31%	0.309	22%	0.219	S	C	.	.	H	α-helix	trans	-48.5	-39.3	175.1	178.5	-175	-171.9	139.2	5.2	112.2	F783 Y803 E865 S867 P868 L872 F873 T874	F783-R870 VanDerWaalsContact CZ-NH2 3.35Å; Y803-R870 HydrophobicContact CE2-CG 4.43Å; E865-R870 VanDerWaalsContact CG-NH1 3.34Å; E865-R870 WeakPolarHBondContact O-CD 3.27Å; E865-R870 PolarHBondContact O-NH1 2.93Å; E865-R870 IonicContact OE1-CZ 2.68Å; E865-R870 IonicContact OE1-NH1 3.09Å; E865-R870 PolarHBondContact OE1-NH1 3.47Å; E865-R870 IonicContact OE1-NH2 3.99Å; E865-R870 PolarHBondContact OE1-NH2 3.23Å; S867-R870 WeakPolarHBondContact O-CB 3.22Å; S867-R870 PolarHBondContact O-N 3.12Å; P868-R870 PolarHBondContact O-N 3.49Å; R870-L872 PolarHBondContact O-N 2.93Å; R870-F873 PolarHBondContact O-N 2.63Å; R870-T874 HydrophobicContact CG-CG2 3.81Å; R870-T874 PolarHBondContact O-N 3.48Å; R870-T874 PolarHBondContact O-OG1 3.41Å
871	E	92.6	Very high	94.1	Very high	139 Å²	139	49.3 Å²	49.3	65%	0.65	25%	0.247	S	C	*	.	H	α-helix	trans	-58.1	-31.6	-178.8	-64.1	-173.3	172.8	0	0	113.2	S869 F873 T874 T875	S869-E871 PolarHBondContact O-N 2.88Å; S869-E871 VanDerWaalsContact O-N 3.15Å; E871-F873 PolarHBondContact O-N 3.43Å; E871-T874 WeakPolarHBondContact CA-OG1 3.36Å; E871-T875 VanDerWaalsContact O-CB 3.28Å; E871-T875 WeakPolarHBondContact O-CB 3.47Å; E871-T875 WeakPolarHBondContact O-CG2 3.39Å; E871-T875 PolarHBondContact O-N 3.35Å; E871-T875 PolarHBondContact O-OG1 2.92Å
872	L	92.3	Very high	93.9	Very high	58 Å²	58	49.3 Å²	49.3	30%	0.304	25%	0.253	S	S	.	.	H	α-helix	trans	-64.9	-27.7	177.7	-62.1	174.6	0	0	0	112.7	F801 I863 S869 R870	F801-L872 HydrophobicContact CE2-CB 4.35Å; F801-L872 WeakPolarHBondContact CE2-O 3.29Å; F801-L872 HydrophobicContact CZ-CB 4.36Å; I863-L872 HydrophobicContact CD1-CB 3.99Å; S869-L872 WeakPolarHBondContact O-CB 3.11Å; S869-L872 PolarHBondContact O-N 3.33Å; R870-L872 PolarHBondContact O-N 2.93Å
873	F	95.4	Very high	93.3	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-89.1	-50.6	174.4	179.8	-94.9	0	0	0	111.3	L763 V786 M794 Y803 I863 R870 E871 T875 R876 L877	L763-F873 HydrophobicContact CD1-CE2 3.81Å; L763-F873 HydrophobicContact CD1-CZ 3.94Å; V786-F873 HydrophobicContact CG1-CE1 4.38Å; V786-F873 HydrophobicContact CG2-CE1 4.07Å; V786-F873 HydrophobicContact CG2-CZ 4.1Å; M794-F873 HydrophobicContact CB-CD2 4.09Å; M794-F873 HydrophobicContact CB-CE2 3.92Å; M794-F873 HydrophobicContact CE-CD2 3.68Å; M794-F873 HydrophobicContact CE-CE2 3.67Å; M794-F873 HydrophobicContact CE-CG 4.29Å; M794-F873 HydrophobicContact CE-CZ 4.23Å; M794-F873 HydrophobicContact SD-CD2 4.15Å; Y803-F873 VanDerWaalsContact CB-CE2 3.5Å; Y803-F873 HydrophobicContact CD1-CD1 4.36Å; Y803-F873 AromaticContact CD1-CE1 3.93Å; Y803-F873 HydrophobicContact CD1-CE1 3.93Å; Y803-F873 HydrophobicContact CD1-CZ 4.09Å; Y803-F873 HydrophobicContact CD2-CB 4.03Å; Y803-F873 AromaticContact CD2-CD1 3.54Å; Y803-F873 HydrophobicContact CD2-CD1 3.54Å; Y803-F873 HydrophobicContact CD2-CD2 4.22Å; Y803-F873 AromaticContact CD2-CE1 3.97Å; Y803-F873 HydrophobicContact CD2-CE1 3.97Å; Y803-F873 AromaticContact CD2-CG 3.68Å; Y803-F873 HydrophobicContact CD2-CG 3.68Å; Y803-F873 HydrophobicContact CD2-CZ 4.46Å; Y803-F873 HydrophobicContact CE1-CE1 4.28Å; Y803-F873 AromaticContact CE2-CD1 3.87Å; Y803-F873 HydrophobicContact CE2-CD1 3.87Å; Y803-F873 HydrophobicContact CE2-CE1 4.32Å; Y803-F873 HydrophobicContact CE2-CG 4.38Å; Y803-F873 AromaticContact CG-CD1 3.79Å; Y803-F873 HydrophobicContact CG-CD1 3.79Å; Y803-F873 HydrophobicContact CG-CD2 4.09Å; Y803-F873 AromaticContact CG-CE1 3.74Å; Y803-F873 HydrophobicContact CG-CE1 3.74Å; Y803-F873 HydrophobicContact CG-CE2 4.03Å; Y803-F873 AromaticContact CG-CG 3.96Å; Y803-F873 HydrophobicContact CG-CG 3.96Å; Y803-F873 AromaticContact CG-CZ 3.86Å; Y803-F873 HydrophobicContact CG-CZ 3.86Å; I863-F873 HydrophobicContact CD1-CB 4.13Å; R870-F873 PolarHBondContact O-N 2.63Å; E871-F873 PolarHBondContact O-N 3.43Å; F873-T875 PolarHBondContact O-N 2.9Å; F873-R876 WeakPolarHBondContact O-CB 3.24Å; F873-R876 PolarHBondContact O-N 3.21Å; F873-L877 HydrophobicContact CD1-CD1 4.31Å; F873-L877 HydrophobicContact CE1-CD1 4.01Å; F873-L877 HydrophobicContact CE1-CD2 4.2Å; F873-L877 HydrophobicContact CE1-CG 4.41Å; F873-L877 HydrophobicContact CZ-CD2 4.35Å
874	T	94.4	Very high	92.7	Very high	45 Å²	45	58.9 Å²	58.9	28%	0.276	31%	0.307	S	S	.	.	H	α-helix	trans	-67.1	-33.7	-174.3	55	0	0	0	0	113.2	R870 E871 R876 L877	R870-T874 HydrophobicContact CG-CG2 3.81Å; R870-T874 PolarHBondContact O-N 3.48Å; R870-T874 PolarHBondContact O-OG1 3.41Å; E871-T874 WeakPolarHBondContact CA-OG1 3.36Å; T874-R876 PolarHBondContact O-N 3.43Å; T874-L877 WeakPolarHBondContact O-CB 3.47Å; T874-L877 PolarHBondContact O-N 2.98Å; T874-L877 VanDerWaalsContact O-N 3.1Å
875	T	92.7	Very high	92.5	Very high	88 Å²	88	58.5 Å²	58.5	54%	0.54	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-14.2	174.6	58	0	0	0	0	113.8	E871 F873	E871-T875 VanDerWaalsContact O-CB 3.28Å; E871-T875 WeakPolarHBondContact O-CB 3.47Å; E871-T875 WeakPolarHBondContact O-CG2 3.39Å; E871-T875 PolarHBondContact O-N 3.35Å; E871-T875 PolarHBondContact O-OG1 2.92Å; F873-T875 PolarHBondContact O-N 2.9Å
876	R	95.4	Very high	92.5	Very high	31 Å²	31	60 Å²	60	12%	0.117	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-1.6	174.4	-66.6	-62.5	-161	163.2	8.6	113.2	D758 P761 M794 F873 T874 V878	D758-R876 PolarHBondContact O-NH1 2.84Å; D758-R876 IonicContact OD1-CZ 2.73Å; D758-R876 IonicContact OD1-NH1 2.74Å; D758-R876 IonicContact OD1-NH2 2.81Å; D758-R876 PolarHBondContact OD1-NH2 2.64Å; P761-R876 HydrophobicContact CG-CB 4.41Å; M794-R876 HydrophobicContact CE-CB 3.78Å; M794-R876 HydrophobicContact SD-CB 3.44Å; M794-R876 WeakPolarHBondContact SD-CB 3.38Å; M794-R876 HydrophobicContact SD-CG 4.08Å; F873-R876 WeakPolarHBondContact O-CB 3.24Å; F873-R876 PolarHBondContact O-N 3.21Å; T874-R876 PolarHBondContact O-N 3.43Å; R876-V878 PolarHBondContact O-N 3.17Å
877	L	96.7	Very high	92.6	Very high	6 Å²	6	57.1 Å²	57.1	3%	0.031	30%	0.301	C	S	.	.			trans	-79.7	69.9	171.2	-58.7	175.9	0	0	0	110.2	L763 L781 F783 M794 F873 T874 E879 D880	L763-L877 HydrophobicContact CD2-CD2 4.38Å; L781-L877 CarbonylContact O-C 3.56Å; L781-L877 WeakPolarHBondContact O-CA 3.41Å; F783-L877 HydrophobicContact CB-CD1 3.91Å; F783-L877 HydrophobicContact CD2-CD1 3.74Å; F783-L877 HydrophobicContact CG-CD1 4.34Å; M794-L877 HydrophobicContact CE-CD2 3.9Å; F873-L877 HydrophobicContact CD1-CD1 4.31Å; F873-L877 HydrophobicContact CE1-CD1 4.01Å; F873-L877 HydrophobicContact CE1-CD2 4.2Å; F873-L877 HydrophobicContact CE1-CG 4.41Å; F873-L877 HydrophobicContact CZ-CD2 4.35Å; T874-L877 WeakPolarHBondContact O-CB 3.47Å; T874-L877 PolarHBondContact O-N 2.98Å; T874-L877 VanDerWaalsContact O-N 3.1Å; L877-E879 PolarHBondContact O-N 3.31Å; L877-E879 VanDerWaalsContact O-N 3.13Å; L877-D880 WeakPolarHBondContact CB-OD2 3.4Å; L877-D880 PolarHBondContact O-N 3.28Å; L877-D880 VanDerWaalsContact O-N 3.09Å
878	V	95.6	Very high	92.8	Very high	7 Å²	7	57.3 Å²	57.3	4%	0.042	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-8.5	-168.2	-60.8	0	0	0	0	115.4	A722 K725 Y760 L781 R876	A722-V878 HydrophobicContact CB-CB 4.2Å; A722-V878 HydrophobicContact CB-CG1 4.43Å; A722-V878 HydrophobicContact CB-CG2 3.85Å; K725-V878 HydrophobicContact CB-CG1 4.4Å; K725-V878 HydrophobicContact CD-CB 4.21Å; K725-V878 WeakPolarHBondContact CD-O 3.23Å; K725-V878 PolarHBondContact NZ-O 2.93Å; Y760-V878 HydrophobicContact CD2-CG2 3.63Å; Y760-V878 HydrophobicContact CE2-CG2 3.83Å; L781-V878 HydrophobicContact CB-CG2 4.09Å; L781-V878 HydrophobicContact CD1-CG2 3.74Å; L781-V878 PolarHBondContact O-N 2.9Å; R876-V878 PolarHBondContact O-N 3.17Å
879	E	96	Very high	93	Very high	24 Å²	24	56 Å²	56	11%	0.112	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-24.1	171.8	-73	168.7	-121.4	0	0	112.3	L718 Y760 S780 L781 L877 S887 Y888	L718-E879 HydrophobicContact CD1-CG 3.54Å; Y760-E879 PolarHBondContact OH-OE1 3.49Å; S780-E879 WeakPolarHBondContact CA-OE1 3.22Å; S780-E879 WeakPolarHBondContact CB-OE1 3.44Å; S780-E879 VanDerWaalsContact CB-OE2 3.29Å; S780-E879 WeakPolarHBondContact CB-OE2 3.45Å; S780-E879 PolarHBondContact OG-OE1 2.87Å; S780-E879 PolarHBondContact OG-OE2 3.47Å; L781-E879 PolarHBondContact N-OE1 3.42Å; L781-E879 WeakPolarHBondContact O-CB 3.48Å; L781-E879 PolarHBondContact O-N 3.11Å; L877-E879 PolarHBondContact O-N 3.31Å; L877-E879 VanDerWaalsContact O-N 3.13Å; E879-S887 CarbonylContact O-C 3.13Å; E879-S887 WeakPolarHBondContact O-CA 3.41Å; E879-S887 WeakPolarHBondContact O-CB 3.47Å; E879-Y888 PolarHBondContact O-N 2.94Å
880	D	96.1	Very high	93.2	Very high	43 Å²	43	57.3 Å²	57.3	23%	0.23	29%	0.292	C	S	.	.	S	Bend	trans	-77.1	157.3	-179.4	-63.7	-30.1	0	0	0	112.6	K725 S782 F783 L877	K725-D880 PolarHBondContact NZ-O 3.15Å; S782-D880 WeakPolarHBondContact CA-OD1 3.45Å; S782-D880 WeakPolarHBondContact CA-OD2 3.25Å; S782-D880 VanDerWaalsContact CB-OD1 3.23Å; S782-D880 WeakPolarHBondContact CB-OD1 3.38Å; S782-D880 PolarHBondContact OG-OD1 3.36Å; F783-D880 WeakPolarHBondContact CB-OD2 3.34Å; F783-D880 PolarHBondContact N-OD1 3.37Å; F783-D880 PolarHBondContact N-OD2 3.03Å; L877-D880 WeakPolarHBondContact CB-OD2 3.4Å; L877-D880 PolarHBondContact O-N 3.28Å; L877-D880 VanDerWaalsContact O-N 3.09Å
881	R	95.2	Very high	93.3	Very high	164 Å²	164	53.7 Å²	53.7	62%	0.619	28%	0.279	S	S	*	.			trans	-69.8	138.3	176.2	-177.8	172.8	173.1	148.8	-6.3	110.9	E890	R881-E890 IonicContact CZ-OE1 3.74Å; R881-E890 IonicContact NH1-OE1 2.8Å; R881-E890 PolarHBondContact NH1-OE1 2.87Å
882	T	88.5	Confident	93.5	Very high	50 Å²	50	47.4 Å²	47.4	31%	0.307	25%	0.249	S	C	.	.			trans	-113.8	167.8	167.1	69	0	0	0	0	110	K725 S884 T885	K725-T882 HydrophobicContact CD-CG2 4.34Å; T882-S884 PolarHBondContact O-N 3.23Å; T882-S884 VanDerWaalsContact O-N 3.12Å; T882-T885 PolarHBondContact N-O 3.1Å; T882-T885 PolarHBondContact O-N 2.93Å; T882-T885 VanDerWaalsContact O-O 3.13Å; T882-T885 PolarHBondContact OG1-N 2.82Å; T882-T885 VanDerWaalsContact OG1-N 3.16Å; T882-T885 PolarHBondContact OG1-O 3.4Å
883	D	82.9	Confident	93.6	Very high	167 Å²	167	47.6 Å²	47.6	89%	0.893	25%	0.251	S	S	*	.	S	Bend	trans	-56.4	-31.6	-178.1	-60.6	-37.9	0	0	0	113.4
884	S	82.6	Confident	93.5	Very high	34 Å²	34	50.7 Å²	50.7	24%	0.238	27%	0.265	C	S	.	.	S	Bend	trans	-105	-21.8	-177.8	66.9	0	0	0	0	114.8	H731 T882	H731-S884 PolarHBondContact CE1-O 2.79Å; H731-S884 PolarHBondContact NE2-O 3.1Å; H731-S884 WeakPolarHBondContact O-CB 3.32Å; H731-S884 PolarHBondContact O-OG 3.07Å; T882-S884 PolarHBondContact O-N 3.23Å; T882-S884 VanDerWaalsContact O-N 3.12Å
885	T	89.1	Confident	93.5	Very high	13 Å²	13	48.6 Å²	48.6	8%	0.08	25%	0.252	C	S	.	.	S	Bend	trans	-133.4	137.7	-170.7	-55.9	0	0	0	0	112.4	L721 L724 K725 H731 T882	L721-T885 HydrophobicContact CD1-CG2 3.66Å; L724-T885 HydrophobicContact CB-CG2 4.46Å; K725-T885 HydrophobicContact CD-CG2 4.41Å; K725-T885 HydrophobicContact CG-CG2 3.92Å; H731-T885 PolarHBondContact NE2-OG1 3.03Å; T882-T885 PolarHBondContact N-O 3.1Å; T882-T885 PolarHBondContact O-N 2.93Å; T882-T885 VanDerWaalsContact O-O 3.13Å; T882-T885 PolarHBondContact OG1-N 2.82Å; T882-T885 VanDerWaalsContact OG1-N 3.16Å; T882-T885 PolarHBondContact OG1-O 3.4Å
886	L	95.1	Very high	93.6	Very high	58 Å²	58	46.4 Å²	46.4	30%	0.304	24%	0.236	S	C	.	.			trans	-56.8	154.2	-178.2	-58.3	-179.5	0	0	0	113.8	K725 E890 F891 H894	K725-L886 VanDerWaalsContact CE-O 3.26Å; K725-L886 WeakPolarHBondContact CE-O 3.37Å; K725-L886 PolarHBondContact NZ-O 3.28Å; L886-E890 HydrophobicContact CB-CB 3.84Å; L886-E890 HydrophobicContact CD1-CB 4.36Å; L886-E890 HydrophobicContact CD2-CB 4.15Å; L886-E890 HydrophobicContact CG-CB 4.33Å; L886-F891 HydrophobicContact CB-CB 4.29Å; L886-H894 HydrophobicContact CD1-CB 3.94Å
887	S	96.3	Very high	93.5	Very high	22 Å²	22	51.4 Å²	51.4	15%	0.154	26%	0.259	C	S	.	.			trans	-65.5	167.5	160.4	61.1	0	0	0	0	111.6	E879 T889 E890 F891	E879-S887 CarbonylContact O-C 3.13Å; E879-S887 WeakPolarHBondContact O-CA 3.41Å; E879-S887 WeakPolarHBondContact O-CB 3.47Å; S887-T889 PolarHBondContact O-N 3.39Å; S887-E890 VanDerWaalsContact CB-OE2 3.31Å; S887-E890 WeakPolarHBondContact CB-OE2 3.5Å; S887-E890 PolarHBondContact N-OE2 2.86Å; S887-E890 PolarHBondContact O-N 3.12Å; S887-E890 WeakPolarHBondContact OG-CB 3.49Å; S887-E890 VanDerWaalsContact OG-CD 3.22Å; S887-E890 WeakPolarHBondContact OG-CG 3.5Å; S887-E890 PolarHBondContact OG-N 2.75Å; S887-E890 PolarHBondContact OG-OE2 3.34Å; S887-F891 WeakPolarHBondContact O-CB 3.5Å; S887-F891 PolarHBondContact O-N 3.14Å
888	Y	96	Very high	93.2	Very high	19 Å²	19	55.1 Å²	55.1	8%	0.075	28%	0.276	C	S	.	.	H	α-helix	trans	-60.2	-44.1	178.9	-178.6	-122.1	0	0	0	112.8	I175 P717 L718 L721 E879 F891 L892	I175-Y888 HydrophobicContact CG2-CE1 4.28Å; P717-Y888 HydrophobicContact CB-CE2 4.4Å; L718-Y888 HydrophobicContact CB-CD2 4.25Å; L718-Y888 HydrophobicContact CB-CE2 3.72Å; L718-Y888 HydrophobicContact CD1-CD2 3.75Å; L718-Y888 HydrophobicContact CD1-CE2 4.04Å; L718-Y888 HydrophobicContact CD1-CG 4.02Å; L718-Y888 HydrophobicContact CG-CE2 4.47Å; L721-Y888 VanDerWaalsContact CD2-CA 3.46Å; L721-Y888 HydrophobicContact CD2-CD2 4.16Å; E879-Y888 PolarHBondContact O-N 2.94Å; Y888-F891 PolarHBondContact O-N 3.41Å; Y888-L892 HydrophobicContact CD1-CD1 4.33Å; Y888-L892 HydrophobicContact CD2-CG 4.38Å; Y888-L892 HydrophobicContact CE1-CD1 3.74Å; Y888-L892 HydrophobicContact CE1-CG 4.38Å; Y888-L892 HydrophobicContact CE2-CD1 4.18Å; Y888-L892 HydrophobicContact CE2-CD2 4.02Å; Y888-L892 HydrophobicContact CE2-CG 3.96Å; Y888-L892 WeakPolarHBondContact O-CG 3.44Å; Y888-L892 PolarHBondContact O-N 1.86Å
889	T	94.5	Very high	92.9	Very high	96 Å²	96	56.5 Å²	56.5	59%	0.589	28%	0.283	S	S	*	.	H	α-helix	trans	-64.4	-42.9	177	-50.7	0	0	0	0	112.2	S887 F891 L892 N893	S887-T889 PolarHBondContact O-N 3.39Å; T889-F891 VanDerWaalsContact C-N 3.34Å; T889-L892 PolarHBondContact O-N 3.25Å; T889-N893 VanDerWaalsContact O-CG 3.31Å; T889-N893 PolarHBondContact O-N 2.86Å; T889-N893 PolarHBondContact O-ND2 3.26Å; T889-N893 VanDerWaalsContact O-ND2 3.1Å
890	E	96.1	Very high	92.1	Very high	57 Å²	57	60 Å²	60	27%	0.266	30%	0.299	S	S	.	.	H	α-helix	trans	-64.6	-38	174.6	-71.6	167.1	131.8	0	0	112	R881 L886 S887 N893 H894	R881-E890 IonicContact CZ-OE1 3.74Å; R881-E890 IonicContact NH1-OE1 2.8Å; R881-E890 PolarHBondContact NH1-OE1 2.87Å; L886-E890 HydrophobicContact CB-CB 3.84Å; L886-E890 HydrophobicContact CD1-CB 4.36Å; L886-E890 HydrophobicContact CD2-CB 4.15Å; L886-E890 HydrophobicContact CG-CB 4.33Å; S887-E890 VanDerWaalsContact CB-OE2 3.31Å; S887-E890 WeakPolarHBondContact CB-OE2 3.5Å; S887-E890 PolarHBondContact N-OE2 2.86Å; S887-E890 PolarHBondContact O-N 3.12Å; S887-E890 WeakPolarHBondContact OG-CB 3.49Å; S887-E890 VanDerWaalsContact OG-CD 3.22Å; S887-E890 WeakPolarHBondContact OG-CG 3.5Å; S887-E890 PolarHBondContact OG-N 2.75Å; S887-E890 PolarHBondContact OG-OE2 3.34Å; E890-N893 PolarHBondContact O-N 2.83Å; E890-H894 PolarHBondContact O-N 2.94Å
891	F	96.3	Very high	90.9	Very high	6 Å²	6	62.4 Å²	62.4	3%	0.026	32%	0.317	C	S	.	.	H	α-helix	trans	-65.8	-43.6	176.7	-175.3	-117.4	0	0	0	111.8	V685 P717 V720 L721 L724 L886 S887 Y888 T889 N893 H894 I895	V685-F891 HydrophobicContact CG1-CE2 4.39Å; V685-F891 HydrophobicContact CG2-CE2 4.17Å; V685-F891 HydrophobicContact CG2-CZ 4.38Å; P717-F891 HydrophobicContact CB-CD1 4.35Å; P717-F891 HydrophobicContact CB-CE1 4Å; P717-F891 WeakPolarHBondContact O-CE1 3.33Å; V720-F891 HydrophobicContact CG1-CZ 4.32Å; L721-F891 HydrophobicContact CB-CD1 4.02Å; L721-F891 HydrophobicContact CB-CE1 4.27Å; L721-F891 HydrophobicContact CD1-CB 4.22Å; L721-F891 HydrophobicContact CD1-CD1 4.42Å; L721-F891 HydrophobicContact CD1-CD2 4.37Å; L721-F891 HydrophobicContact CD1-CG 4.09Å; L721-F891 HydrophobicContact CD2-CB 4.09Å; L721-F891 HydrophobicContact CD2-CD1 4.43Å; L721-F891 HydrophobicContact CD2-CG 4.44Å; L724-F891 HydrophobicContact CD1-CE2 4.29Å; L724-F891 HydrophobicContact CD1-CZ 4.42Å; L886-F891 HydrophobicContact CB-CB 4.29Å; S887-F891 WeakPolarHBondContact O-CB 3.5Å; S887-F891 PolarHBondContact O-N 3.14Å; Y888-F891 PolarHBondContact O-N 3.41Å; T889-F891 VanDerWaalsContact C-N 3.34Å; F891-N893 VanDerWaalsContact C-N 3.31Å; F891-N893 PolarHBondContact O-N 2.93Å; F891-H894 WeakPolarHBondContact O-CB 3.14Å; F891-H894 PolarHBondContact O-N 2.61Å; F891-H894 VanDerWaalsContact O-N 3.14Å; F891-I895 HydrophobicContact CD1-CG1 4.45Å; F891-I895 HydrophobicContact CE1-CD1 4.47Å; F891-I895 HydrophobicContact CE1-CG1 4.17Å; F891-I895 HydrophobicContact CE2-CD1 4.32Å; F891-I895 HydrophobicContact CE2-CG1 4.35Å; F891-I895 HydrophobicContact CZ-CD1 4.01Å; F891-I895 HydrophobicContact CZ-CG1 4.11Å; F891-I895 WeakPolarHBondContact O-CG1 3.39Å; F891-I895 PolarHBondContact O-N 3.35Å
892	L	95.8	Very high	89.1	Confident	7 Å²	7	65.9 Å²	65.9	4%	0.037	34%	0.337	C	S	.	.	H	α-helix	trans	-61.5	-38.5	172.8	-70	-178.5	0	0	0	112.2	L169 L170 P717 Y888 T889 H894 I895 Q896	L169-L892 HydrophobicContact CB-CD1 4.08Å; L169-L892 HydrophobicContact CB-CD2 4.06Å; L169-L892 HydrophobicContact CD1-CD2 4.07Å; L169-L892 WeakPolarHBondContact O-CD1 3.11Å; L170-L892 HydrophobicContact CD2-CB 3.85Å; P717-L892 HydrophobicContact CB-CD2 4.03Å; P717-L892 HydrophobicContact CG-CD2 4.31Å; Y888-L892 HydrophobicContact CD1-CD1 4.33Å; Y888-L892 HydrophobicContact CD2-CG 4.38Å; Y888-L892 HydrophobicContact CE1-CD1 3.74Å; Y888-L892 HydrophobicContact CE1-CG 4.38Å; Y888-L892 HydrophobicContact CE2-CD1 4.18Å; Y888-L892 HydrophobicContact CE2-CD2 4.02Å; Y888-L892 HydrophobicContact CE2-CG 3.96Å; Y888-L892 WeakPolarHBondContact O-CG 3.44Å; Y888-L892 PolarHBondContact O-N 1.86Å; T889-L892 PolarHBondContact O-N 3.25Å; L892-H894 VanDerWaalsContact C-N 3.35Å; L892-I895 PolarHBondContact O-N 2.89Å; L892-Q896 WeakPolarHBondContact O-CB 3.5Å; L892-Q896 PolarHBondContact O-N 2.85Å
893	N	94.9	Very high	89.1	Confident	63 Å²	63	66.7 Å²	66.7	34%	0.337	34%	0.338	S	S	.	.	H	α-helix	trans	-67.3	-32.8	174	-72	-35.8	0	0	0	112.7	T889 E890 F891 K897	T889-N893 VanDerWaalsContact O-CG 3.31Å; T889-N893 PolarHBondContact O-N 2.86Å; T889-N893 PolarHBondContact O-ND2 3.26Å; T889-N893 VanDerWaalsContact O-ND2 3.1Å; E890-N893 PolarHBondContact O-N 2.83Å; F891-N893 VanDerWaalsContact C-N 3.31Å; F891-N893 PolarHBondContact O-N 2.93Å; N893-K897 VanDerWaalsContact O-CG 3.31Å; N893-K897 WeakPolarHBondContact O-CG 3.38Å; N893-K897 PolarHBondContact O-N 3.08Å
894	H	94.6	Very high	89.5	Confident	65 Å²	65	61.4 Å²	61.4	30%	0.301	31%	0.309	S	S	.	.	H	α-helix	trans	-67.8	-47.5	171.5	172	49	0	0	0	111.4	L886 E890 F891 L892 Q896 K897 E898	L886-H894 HydrophobicContact CD1-CB 3.94Å; E890-H894 PolarHBondContact O-N 2.94Å; F891-H894 WeakPolarHBondContact O-CB 3.14Å; F891-H894 PolarHBondContact O-N 2.61Å; F891-H894 VanDerWaalsContact O-N 3.14Å; L892-H894 VanDerWaalsContact C-N 3.35Å; H894-Q896 VanDerWaalsContact C-N 3.31Å; H894-Q896 PolarHBondContact O-N 2.99Å; H894-K897 WeakPolarHBondContact O-CB 3.4Å; H894-K897 PolarHBondContact O-N 3.34Å; H894-K897 VanDerWaalsContact O-N 3.08Å; H894-E898 VanDerWaalsContact CE1-CG 3.48Å; H894-E898 WeakPolarHBondContact CE1-CG 3.28Å; H894-E898 IonicContact CE1-OE1 2.85Å; H894-E898 IonicContact ND1-OE1 2.7Å; H894-E898 PolarHBondContact O-N 2.73Å
895	I	94.2	Very high	89.9	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-56.2	-45	173.8	-68	-65.3	0	0	0	111	V685 V688 L689 I692 V707 F891 L892 K897 E898 L899	V685-I895 HydrophobicContact CG1-CD1 4.16Å; V688-I895 HydrophobicContact CB-CD1 4.34Å; V688-I895 HydrophobicContact CG1-CD1 4Å; V688-I895 HydrophobicContact CG1-CG1 4.48Å; L689-I895 HydrophobicContact CD2-CB 4.42Å; L689-I895 HydrophobicContact CD2-CD1 3.62Å; L689-I895 HydrophobicContact CD2-CG2 4.11Å; L689-I895 HydrophobicContact CG-CD1 3.81Å; I692-I895 HydrophobicContact CD1-CG2 3.84Å; V707-I895 HydrophobicContact CG1-CG2 4.14Å; F891-I895 HydrophobicContact CD1-CG1 4.45Å; F891-I895 HydrophobicContact CE1-CD1 4.47Å; F891-I895 HydrophobicContact CE1-CG1 4.17Å; F891-I895 HydrophobicContact CE2-CD1 4.32Å; F891-I895 HydrophobicContact CE2-CG1 4.35Å; F891-I895 HydrophobicContact CZ-CD1 4.01Å; F891-I895 HydrophobicContact CZ-CG1 4.11Å; F891-I895 WeakPolarHBondContact O-CG1 3.39Å; F891-I895 PolarHBondContact O-N 3.35Å; L892-I895 PolarHBondContact O-N 2.89Å; I895-K897 VanDerWaalsContact C-N 3.29Å; I895-K897 PolarHBondContact O-N 3.43Å; I895-E898 PolarHBondContact O-N 3.14Å; I895-L899 HydrophobicContact CG2-CD1 3.68Å; I895-L899 HydrophobicContact CG2-CG 4.43Å; I895-L899 WeakPolarHBondContact O-CB 3.22Å; I895-L899 WeakPolarHBondContact O-CD1 3.43Å; I895-L899 WeakPolarHBondContact O-CG 3.17Å; I895-L899 PolarHBondContact O-N 3.13Å
896	Q	93.7	Very high	89.9	Confident	43 Å²	43	65.9 Å²	65.9	20%	0.201	33%	0.327	C	S	.	.	H	α-helix	trans	-58	-38.9	176	-172.4	-154.1	35.6	0	0	112.4	L170 G705 V707 L892 H894 Q900	L170-Q896 HydrophobicContact CD1-CB 4.26Å; L170-Q896 HydrophobicContact CD1-CG 3.81Å; L170-Q896 VanDerWaalsContact CD1-NE2 3.26Å; G705-Q896 PolarHBondContact O-NE2 2.78Å; V707-Q896 HydrophobicContact CG2-CB 3.65Å; V707-Q896 HydrophobicContact CG2-CG 4.05Å; L892-Q896 WeakPolarHBondContact O-CB 3.5Å; L892-Q896 PolarHBondContact O-N 2.85Å; H894-Q896 VanDerWaalsContact C-N 3.31Å; H894-Q896 PolarHBondContact O-N 2.99Å; Q896-Q900 WeakPolarHBondContact O-CG 3.43Å
897	K	93	Very high	89.6	Confident	136 Å²	136	66.4 Å²	66.4	59%	0.591	33%	0.328	S	S	*	.	H	α-helix	trans	-71.5	-46.9	178.8	-73.9	171.5	-177.8	-177.8	0	112.2	N893 H894 I895 L899 Q900	N893-K897 VanDerWaalsContact O-CG 3.31Å; N893-K897 WeakPolarHBondContact O-CG 3.38Å; N893-K897 PolarHBondContact O-N 3.08Å; H894-K897 WeakPolarHBondContact O-CB 3.4Å; H894-K897 PolarHBondContact O-N 3.34Å; H894-K897 VanDerWaalsContact O-N 3.08Å; I895-K897 VanDerWaalsContact C-N 3.29Å; I895-K897 PolarHBondContact O-N 3.43Å; K897-L899 PolarHBondContact O-N 3.33Å; K897-Q900 WeakPolarHBondContact O-CB 3.45Å; K897-Q900 PolarHBondContact O-N 3.33Å; K897-Q900 VanDerWaalsContact O-N 3.1Å
898	E	91.5	Very high	89.1	Confident	83 Å²	83	69.3 Å²	69.3	39%	0.388	34%	0.34	S	S	.	.	H	α-helix	trans	-67.3	-22.1	178.9	-66	-55.6	141.9	0	0	113.3	L689 H894 I895 Q900 K902	L689-E898 HydrophobicContact CD1-CB 3.98Å; L689-E898 HydrophobicContact CD1-CG 4.42Å; L689-E898 HydrophobicContact CD2-CB 3.72Å; H894-E898 VanDerWaalsContact CE1-CG 3.48Å; H894-E898 WeakPolarHBondContact CE1-CG 3.28Å; H894-E898 IonicContact CE1-OE1 2.85Å; H894-E898 IonicContact ND1-OE1 2.7Å; H894-E898 PolarHBondContact O-N 2.73Å; I895-E898 PolarHBondContact O-N 3.14Å; E898-Q900 VanDerWaalsContact C-N 3.32Å; E898-K902 IonicContact OE2-NZ 2.84Å
899	L	88.1	Confident	88.6	Confident	36 Å²	36	72.9 Å²	72.9	19%	0.188	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-6.6	173.1	-72.2	167.7	0	0	0	114.3	L689 I692 I895 K897	L689-L899 HydrophobicContact CD2-CD2 4.22Å; L689-L899 HydrophobicContact CD2-CG 3.91Å; I692-L899 HydrophobicContact CB-CD1 4.17Å; I692-L899 HydrophobicContact CB-CD2 4.42Å; I692-L899 HydrophobicContact CG2-CD1 3.42Å; I692-L899 VanDerWaalsContact CG2-CD1 3.42Å; I692-L899 HydrophobicContact CG2-CD2 4.14Å; I692-L899 HydrophobicContact CG2-CG 4.45Å; I895-L899 HydrophobicContact CG2-CD1 3.68Å; I895-L899 HydrophobicContact CG2-CG 4.43Å; I895-L899 WeakPolarHBondContact O-CB 3.22Å; I895-L899 WeakPolarHBondContact O-CD1 3.43Å; I895-L899 WeakPolarHBondContact O-CG 3.17Å; I895-L899 PolarHBondContact O-N 3.13Å; K897-L899 PolarHBondContact O-N 3.33Å
900	Q	80.8	Confident	88.2	Confident	98 Å²	98	71.2 Å²	71.2	46%	0.458	34%	0.341	S	S	.	.	S	Bend	trans	-72	139.5	175	-61.7	-177	10.2	0	0	109.9	Q896 K897 E898 K902	Q896-Q900 WeakPolarHBondContact O-CG 3.43Å; K897-Q900 WeakPolarHBondContact O-CB 3.45Å; K897-Q900 PolarHBondContact O-N 3.33Å; K897-Q900 VanDerWaalsContact O-N 3.1Å; E898-Q900 VanDerWaalsContact C-N 3.32Å; Q900-K902 PolarHBondContact O-N 2.97Å
901	P	70.3	Confident	87.5	Confident	94 Å²	94	72.3 Å²	72.3	61%	0.61	35%	0.347	S	S	*	.			trans	-60.5	129.3	171.5	27.6	-34.3	0	0	0	109.3	F704	F704-P901 HydrophobicContact CD1-CG 4.17Å; F704-P901 HydrophobicContact CE1-CG 3.68Å; F704-P901 HydrophobicContact CZ-CG 4.4Å
902	K	57.4	Low	86.7	Confident	237 Å²	237	78.4 Å²	78.4	100%	1.03	38%	0.377	S	S	*	.			trans	-80.8	0	173.6	-66.4	-177.1	179.8	176	0	110.8	E898 Q900	E898-K902 IonicContact OE2-NZ 2.84Å; Q900-K902 PolarHBondContact O-N 2.97Å

Retrieved 902 of 902 residues in 542 ms (Link to these results)

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