A0A5K4FBS1_SCHMA Loading...

Ig-like domain-containing protein

AlphaFold DB (A0A5K4FB00), UniProt , Accession A0A5K4FBS1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,103 aa.

						>A0A5K4FBS1_SCHMA|A0A5K4FBS1
MFQSIEHYLHLSPPMEEHRSPNSTHHHHANVSWTIDHYLTIINQEKKPLHLLLSLLLLLLLLLSSNMNKWKHLLCNTFKVLYHYIKDVIFIMFGLYLYIRMRNIQIYKFNYPYHPHSDRFHWNKIRYIPKQLLKWFNSVVTLIKYTHLLIQYYNNHKIDCIKYIIHMTFTVISSISRNHLIFISSILNQCKDYILLHHYKLLLFINNLIQKLSLVTIVTHIKYLNSCWGYLYQFYLRFIIKYQYKRKFKQRSNTNLLIHYNYSYILIISKFYLLLLIINTVVCLSTKYTKHINVSLLLLENRNIATTTPPPTTTTDDYMDTITDILDTTNDLMSNTYNNNNNNNNQVQSIYHFKPPDEKRPCRYLFHDDVETSTLLADYVIIGWPIQTYRKRFGPLYNISLLVTNILKNIQYSIFPIRINHLIRIGQFSIFPDPGRCWINVKKNKKYIFFLNQPDWSGFSKITQLPVEYTNYAYNSIIRIMKLGADPLQMRSLYHEDVLKVNEGNDLLLSCRVRGRPTPLISWYVNQTEIKNPWRLETGRGIIQKSRYLSKLQLSNVHTTDNANYTCLAENLNGHIRKSVQVIVKPATTSPPLTTTPPPTTTEMTTTSVHPCHNYCHRGHCYIIDGKPYCSCISQYRGVRCDLFTTEKEENHLEQLPINESKFDSCESGCESNLARILLFSTIGILISLLLIFFLCSIFQICYKKRQSSNRACSSVVKSTVPKDNPENIPCKFNQHPINLSLPKQNSSKLSKIYFNPLFDTYITKECLMNTKTNPIEISSQSTIHENDKPHHHHHHHLLLYNQQLHNSNIKHNCTNNFQSSYLDPTRYLSSKSTMNKTPHLDPKVTNNSHFHKKLSGSSNFVEFIESSPTVQNEILCDSLTTYSGNLPQKSMIPQTIKRLIIQQDNPDKNNTNHLESMEPSLFHNISINESNDSKLICPLNDLNLFPTNINSNCSKLSSQCNLSLLDYGQSNYIPYSNIDSEINQIPIVNNLPYRNNNDHVTNMTDCLNHCHCSTFNKITNIKHLLDDSLIWTNSNNNHPHHQHYTMNTSPLLSLSHNYCQQCLIHNHCNHRNQISQIDQYEDSRNSSIQPEFNSMTNTSDST
					

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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	31	Very low	35.7	Very low	119 Å²	119	130.7 Å²	130.7	59%	0.586	63%	0.627	S	S	*	*				0	-75.7	0	-156.8	175.8	-74.6	0	0	111.2	S4 I5 V88	M1-S4 WeakPolarHBondContact CA-OG 3.31Å; M1-S4 PolarHBondContact N-OG 2.75Å; M1-S4 CarbonylContact O-C 3.49Å; M1-S4 WeakPolarHBondContact O-CA 3.35Å; M1-S4 WeakPolarHBondContact O-CB 3.4Å; M1-S4 PolarHBondContact O-N 3.14Å; M1-I5 WeakPolarHBondContact O-CG1 3.35Å; M1-I5 PolarHBondContact O-N 2.88Å; M1-V88 HydrophobicContact SD-CG1 4.4Å; M1-V88 HydrophobicContact SD-CG2 3.89Å
2	F	30.2	Very low	35.3	Very low	138 Å²	138	128.7 Å²	128.7	61%	0.605	64%	0.636	S	S	*	*	H	α-helix	trans	-57.3	-55.7	178.1	-112	-73.1	0	0	0	113.3	S4 I5 E6 I91	F2-S4 PolarHBondContact O-N 3.08Å; F2-S4 VanDerWaalsContact O-N 3.11Å; F2-I5 WeakPolarHBondContact O-CA 3.33Å; F2-I5 WeakPolarHBondContact O-CB 3.13Å; F2-I5 PolarHBondContact O-N 3.36Å; F2-E6 PolarHBondContact O-N 3.4Å; F2-I91 HydrophobicContact CD2-CD1 4.4Å; F2-I91 HydrophobicContact CE2-CD1 3.41Å; F2-I91 VanDerWaalsContact CE2-CD1 3.41Å; F2-I91 HydrophobicContact CZ-CD1 3.56Å; F2-I91 HydrophobicContact CZ-CG1 4.5Å
3	Q	33	Very low	35.3	Very low	162 Å²	162	128.1 Å²	128.1	76%	0.757	65%	0.648	S	S	*	*	H	α-helix	trans	-56	-30	173.4	-68.5	165.8	-54.3	0	0	113	I5 H7	Q3-I5 VanDerWaalsContact C-N 3.31Å; Q3-H7 VanDerWaalsContact O-CB 3.31Å; Q3-H7 WeakPolarHBondContact O-CB 3.39Å; Q3-H7 PolarHBondContact O-N 3.27Å
4	S	39.4	Very low	35.1	Very low	71 Å²	71	127.6 Å²	127.6	50%	0.497	66%	0.658	S	S	.	*	H	α-helix	trans	-72.2	-25.5	177.4	-38.8	0	0	0	0	112.6	M1 F2	M1-S4 WeakPolarHBondContact CA-OG 3.31Å; M1-S4 PolarHBondContact N-OG 2.75Å; M1-S4 CarbonylContact O-C 3.49Å; M1-S4 WeakPolarHBondContact O-CA 3.35Å; M1-S4 WeakPolarHBondContact O-CB 3.4Å; M1-S4 PolarHBondContact O-N 3.14Å; F2-S4 PolarHBondContact O-N 3.08Å; F2-S4 VanDerWaalsContact O-N 3.11Å
5	I	37.8	Very low	34.7	Very low	77 Å²	77	131.6 Å²	131.6	40%	0.395	68%	0.676	S	S	.	*	H	α-helix	trans	-85.9	-41.5	177.3	-68.1	164.2	0	0	0	110	M1 F2 Q3 Y8 L9	M1-I5 WeakPolarHBondContact O-CG1 3.35Å; M1-I5 PolarHBondContact O-N 2.88Å; F2-I5 WeakPolarHBondContact O-CA 3.33Å; F2-I5 WeakPolarHBondContact O-CB 3.13Å; F2-I5 PolarHBondContact O-N 3.36Å; Q3-I5 VanDerWaalsContact C-N 3.31Å; I5-Y8 PolarHBondContact O-N 3.31Å; I5-L9 HydrophobicContact CG2-CD1 3.81Å; I5-L9 HydrophobicContact CG2-CG 4.44Å; I5-L9 WeakPolarHBondContact O-CG 3.45Å; I5-L9 PolarHBondContact O-N 2.91Å
6	E	35.8	Very low	34.5	Very low	115 Å²	115	135.3 Å²	135.3	54%	0.537	69%	0.689	S	S	.	*	H	α-helix	trans	-60.1	-46.2	173.3	-71.4	176.4	124.4	0	0	111.7	F2 Y8 L9 H10	F2-E6 PolarHBondContact O-N 3.4Å; E6-Y8 PolarHBondContact O-N 2.62Å; E6-L9 PolarHBondContact O-N 3.5Å; E6-L9 VanDerWaalsContact O-N 3.15Å; E6-H10 PolarHBondContact O-N 3.43Å
7	H	39.3	Very low	34.1	Very low	140 Å²	140	138.2 Å²	138.2	65%	0.648	70%	0.699	S	S	*	*	H	α-helix	trans	-65.5	-22.8	-179.6	-156	-40.6	0	0	0	113.4	Q3	Q3-H7 VanDerWaalsContact O-CB 3.31Å; Q3-H7 WeakPolarHBondContact O-CB 3.39Å; Q3-H7 PolarHBondContact O-N 3.27Å
8	Y	36	Very low	34.1	Very low	194 Å²	194	141.5 Å²	141.5	76%	0.761	71%	0.711	S	S	*	*	H	α-helix	trans	-89.8	-26.4	173.6	-107.8	-80	0	0	0	113.7	I5 E6	I5-Y8 PolarHBondContact O-N 3.31Å; E6-Y8 PolarHBondContact O-N 2.62Å
9	L	38.4	Very low	33.9	Very low	132 Å²	132	146.6 Å²	146.6	69%	0.691	72%	0.721	S	S	*	*	H	α-helix	trans	-76	-22	176.7	-77.6	169	0	0	0	113.3	I5 E6 L11	I5-L9 HydrophobicContact CG2-CD1 3.81Å; I5-L9 HydrophobicContact CG2-CG 4.44Å; I5-L9 WeakPolarHBondContact O-CG 3.45Å; I5-L9 PolarHBondContact O-N 2.91Å; E6-L9 PolarHBondContact O-N 3.5Å; E6-L9 VanDerWaalsContact O-N 3.15Å; L9-L11 VanDerWaalsContact C-N 3.33Å
10	H	38.7	Very low	33.8	Very low	168 Å²	168	145.3 Å²	145.3	78%	0.778	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-3	175.5	-89.2	-81	0	0	0	115	E6	E6-H10 PolarHBondContact O-N 3.43Å
11	L	33.3	Very low	33.8	Very low	122 Å²	122	143.5 Å²	143.5	64%	0.639	73%	0.726	S	S	*	*			trans	-107.3	90.2	179.6	-72.7	168.2	0	0	0	110.9	L9	L9-L11 VanDerWaalsContact C-N 3.33Å
12	S	31	Very low	33.8	Very low	106 Å²	106	144.9 Å²	144.9	74%	0.741	74%	0.736	S	S	*	*			trans	-143.7	126.2	165.5	-71.4	0	0	0	0	108.5
13	P	35.7	Very low	33.9	Very low	121 Å²	121	144 Å²	144	79%	0.786	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-71.4	154.6	-172.9	29.3	-35.3	0	0	0	112.2
14	P	32.6	Very low	33.7	Very low	121 Å²	121	142.1 Å²	142.1	79%	0.786	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-68.4	159.9	174.4	31	-35.5	0	0	0	111.8
15	M	28	Very low	33.2	Very low	188 Å²	188	146.4 Å²	146.4	93%	0.926	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-98.3	135.3	168.7	-61.3	-111.7	-63.2	0	0	108.8
16	E	31.5	Very low	32.8	Very low	191 Å²	191	150.2 Å²	150.2	89%	0.893	77%	0.774	S	S	*	*			trans	-117.9	149	166.9	-73.6	-173.2	130.8	0	0	110.5
17	E	28.8	Very low	32.5	Very low	184 Å²	184	152.4 Å²	152.4	86%	0.86	78%	0.784	S	S	*	*			trans	-88.9	139.4	-174.8	-56.7	-179	117.6	0	0	111.5
18	H	32.9	Very low	32	Very low	198 Å²	198	154.8 Å²	154.8	92%	0.917	80%	0.795	S	S	*	*			trans	-138.2	151.7	151.9	-96.8	-80.7	0	0	0	111.5
19	R	30.6	Very low	31.9	Very low	238 Å²	238	148.3 Å²	148.3	90%	0.898	78%	0.782	S	S	*	*			trans	-91.6	171.1	-162	-68.9	177.4	172.3	169.3	-3.3	114.3
20	S	31.8	Very low	31.8	Very low	121 Å²	121	148.5 Å²	148.5	85%	0.846	78%	0.783	S	S	*	*			trans	97.8	150.7	149.8	78.6	0	0	0	0	117
21	P	33.2	Very low	31.6	Very low	108 Å²	108	145.3 Å²	145.3	70%	0.701	78%	0.776	S	S	*	*			trans	-116.6	168.6	-149.8	41.8	-32	0	0	0	115
22	N	32.3	Very low	31.7	Very low	148 Å²	148	143 Å²	143	79%	0.791	77%	0.769	S	S	*	*			trans	130.6	164	154.8	-69.5	-17	0	0	0	112.8
23	S	32.4	Very low	31.8	Very low	120 Å²	120	148.4 Å²	148.4	84%	0.839	77%	0.774	S	S	*	*			trans	60.1	119.2	175.1	43.5	0	0	0	0	117.7
24	T	29	Very low	32.2	Very low	121 Å²	121	146.5 Å²	146.5	74%	0.742	76%	0.76	S	S	*	*			trans	-65.3	169.7	172.4	41.1	0	0	0	0	114.6
25	H	29.1	Very low	32.6	Very low	161 Å²	161	144.9 Å²	144.9	75%	0.745	74%	0.744	S	S	*	*			trans	85.5	139.8	165.5	-69.5	-85.1	0	0	0	120.3
26	H	29	Very low	33.3	Very low	157 Å²	157	140.6 Å²	140.6	73%	0.727	73%	0.725	S	S	*	*			trans	57.9	109.2	171	-56.2	-69.3	0	0	0	119.2
27	H	28.9	Very low	34	Very low	162 Å²	162	137.3 Å²	137.3	75%	0.75	71%	0.709	S	S	*	*				175.4	107.4	99.9	-91.5	-71.3	0	0	0	113
28	H	29.6	Very low	34.6	Very low	190 Å²	190	136.3 Å²	136.3	88%	0.88	70%	0.699	S	S	*	*			trans	-122.9	53.6	163.5	-88.3	-32	0	0	0	111.4
29	A	33.4	Very low	35	Very low	58 Å²	58	130.1 Å²	130.1	48%	0.479	67%	0.672	S	S	.	*			trans	-86.4	-27.9	175.2	0	0	0	0	0	113.4	V31	A29-V31 VanDerWaalsContact C-N 3.28Å; A29-V31 PolarHBondContact O-N 3.17Å; A29-V31 VanDerWaalsContact O-N 3.11Å
30	N	36.5	Very low	35.9	Very low	136 Å²	136	122.3 Å²	122.3	73%	0.727	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-1.6	-159.8	-62.2	5.7	0	0	0	115.5
31	V	34.5	Very low	36.5	Very low	101 Å²	101	119.8 Å²	119.8	61%	0.612	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-16.1	-178.8	-173.5	0	0	0	0	112.7	A29 T34	A29-V31 VanDerWaalsContact C-N 3.28Å; A29-V31 PolarHBondContact O-N 3.17Å; A29-V31 VanDerWaalsContact O-N 3.11Å; V31-T34 PolarHBondContact O-OG1 3.35Å
32	S	34	Very low	36.9	Very low	73 Å²	73	117.7 Å²	117.7	51%	0.51	61%	0.609	S	S	.	*	H	α-helix	trans	-74.5	-41.9	179.7	-161.6	0	0	0	0	113	T34 I35	S32-T34 VanDerWaalsContact C-N 3.34Å; S32-T34 PolarHBondContact O-N 3.15Å; S32-I35 PolarHBondContact O-N 3.31Å
33	W	34.9	Very low	37.3	Very low	219 Å²	219	114.4 Å²	114.4	83%	0.83	59%	0.591	S	S	*	*	H	α-helix	trans	-67.2	-32.2	-170	-80.4	48.3	0	0	0	113.3	I35 H37	W33-I35 VanDerWaalsContact C-N 3.34Å; W33-I35 PolarHBondContact O-N 3.13Å; W33-H37 WeakPolarHBondContact O-CB 3.39Å; W33-H37 PolarHBondContact O-N 3.26Å
34	T	43.7	Very low	37.8	Very low	81 Å²	81	115.6 Å²	115.6	50%	0.497	58%	0.584	S	S	.	*	H	α-helix	trans	-69.4	-30.8	-179.9	53.7	0	0	0	0	112.8	V31 S32 Y38	V31-T34 PolarHBondContact O-OG1 3.35Å; S32-T34 VanDerWaalsContact C-N 3.34Å; S32-T34 PolarHBondContact O-N 3.15Å; T34-Y38 WeakPolarHBondContact O-CD2 3.43Å; T34-Y38 PolarHBondContact O-N 2.96Å; T34-Y38 VanDerWaalsContact O-N 3.14Å
35	I	41.7	Very low	38.7	Very low	87 Å²	87	116.5 Å²	116.5	45%	0.446	58%	0.58	S	S	.	*	H	α-helix	trans	-72.7	-45	-179	-62.3	177.6	0	0	0	110.8	S32 W33 Y38 L39	S32-I35 PolarHBondContact O-N 3.31Å; W33-I35 VanDerWaalsContact C-N 3.34Å; W33-I35 PolarHBondContact O-N 3.13Å; I35-Y38 PolarHBondContact O-N 3.38Å; I35-L39 HydrophobicContact CG2-CD1 4.32Å; I35-L39 WeakPolarHBondContact O-CG 3.17Å; I35-L39 PolarHBondContact O-N 3.5Å; I35-L39 VanDerWaalsContact O-N 3.1Å
36	D	41.1	Very low	39.3	Very low	98 Å²	98	113.4 Å²	113.4	52%	0.524	56%	0.564	S	S	.	*	H	α-helix	trans	-68.1	-35.8	177.4	-76.1	-42.3	0	0	0	111.9	Y38 L39 T40	D36-Y38 VanDerWaalsContact C-N 3.34Å; D36-Y38 PolarHBondContact O-N 3.42Å; D36-L39 PolarHBondContact O-N 2.88Å; D36-L39 VanDerWaalsContact O-N 3.11Å; D36-T40 PolarHBondContact O-N 3.11Å; D36-T40 PolarHBondContact O-OG1 3.25Å
37	H	47.6	Very low	39.9	Very low	122 Å²	122	114.3 Å²	114.3	57%	0.565	57%	0.566	S	S	*	*	H	α-helix	trans	-65.1	-34.9	174.3	-161.2	-30.9	0	0	0	112.8	W33 T40 I41	W33-H37 WeakPolarHBondContact O-CB 3.39Å; W33-H37 PolarHBondContact O-N 3.26Å; H37-T40 PolarHBondContact O-OG1 3.48Å; H37-I41 WeakPolarHBondContact O-CD1 3.34Å; H37-I41 WeakPolarHBondContact O-CG1 3.49Å; H37-I41 PolarHBondContact O-N 3.18Å
38	Y	40.1	Very low	41	Very low	164 Å²	164	110.5 Å²	110.5	64%	0.643	56%	0.555	S	S	*	*	H	α-helix	trans	-67.4	-36.1	170.6	-101.1	-87.9	0	0	0	112.2	T34 I35 D36 I42	T34-Y38 WeakPolarHBondContact O-CD2 3.43Å; T34-Y38 PolarHBondContact O-N 2.96Å; T34-Y38 VanDerWaalsContact O-N 3.14Å; I35-Y38 PolarHBondContact O-N 3.38Å; D36-Y38 VanDerWaalsContact C-N 3.34Å; D36-Y38 PolarHBondContact O-N 3.42Å; Y38-I42 WeakPolarHBondContact O-CB 3.23Å; Y38-I42 WeakPolarHBondContact O-CD1 3.48Å; Y38-I42 VanDerWaalsContact O-CG1 3.28Å; Y38-I42 WeakPolarHBondContact O-CG1 3.3Å; Y38-I42 PolarHBondContact O-N 3.32Å; Y38-I42 VanDerWaalsContact O-N 3.16Å
39	L	42.7	Very low	42.1	Very low	68 Å²	68	107.4 Å²	107.4	36%	0.356	55%	0.545	S	S	.	.	H	α-helix	trans	-71.1	-28.9	178.3	-76	168.4	0	0	0	113.6	I35 D36 N43	I35-L39 HydrophobicContact CG2-CD1 4.32Å; I35-L39 WeakPolarHBondContact O-CG 3.17Å; I35-L39 PolarHBondContact O-N 3.5Å; I35-L39 VanDerWaalsContact O-N 3.1Å; D36-L39 PolarHBondContact O-N 2.88Å; D36-L39 VanDerWaalsContact O-N 3.11Å; L39-N43 PolarHBondContact O-N 3.11Å; L39-N43 PolarHBondContact O-ND2 2.95Å
40	T	48.9	Very low	43.1	Very low	74 Å²	74	111.8 Å²	111.8	45%	0.454	56%	0.555	S	S	.	*	H	α-helix	trans	-72.5	-45.4	173	49.1	0	0	0	0	111.9	D36 H37 I42 N43 Q44	D36-T40 PolarHBondContact O-N 3.11Å; D36-T40 PolarHBondContact O-OG1 3.25Å; H37-T40 PolarHBondContact O-OG1 3.48Å; T40-I42 PolarHBondContact O-N 2.94Å; T40-N43 WeakPolarHBondContact O-CA 3.45Å; T40-N43 PolarHBondContact O-N 3.07Å; T40-Q44 PolarHBondContact O-N 2.94Å
41	I	44.5	Very low	44.4	Very low	68 Å²	68	110.6 Å²	110.6	35%	0.349	55%	0.548	S	S	.	.	H	α-helix	trans	-56.1	-50.8	176.3	-66.1	166.1	0	0	0	110.6	H37 N43 Q44 E45	H37-I41 WeakPolarHBondContact O-CD1 3.34Å; H37-I41 WeakPolarHBondContact O-CG1 3.49Å; H37-I41 PolarHBondContact O-N 3.18Å; I41-N43 PolarHBondContact O-N 3.41Å; I41-Q44 PolarHBondContact O-N 3Å; I41-E45 PolarHBondContact O-N 2.98Å
42	I	41.4	Very low	46.1	Very low	63 Å²	63	111.4 Å²	111.4	32%	0.323	55%	0.548	S	S	.	.	H	α-helix	trans	-61.1	-16.9	178.1	-69.2	168.6	0	0	0	112.9	Y38 T40 K46	Y38-I42 WeakPolarHBondContact O-CB 3.23Å; Y38-I42 WeakPolarHBondContact O-CD1 3.48Å; Y38-I42 VanDerWaalsContact O-CG1 3.28Å; Y38-I42 WeakPolarHBondContact O-CG1 3.3Å; Y38-I42 PolarHBondContact O-N 3.32Å; Y38-I42 VanDerWaalsContact O-N 3.16Å; T40-I42 PolarHBondContact O-N 2.94Å; I42-K46 WeakPolarHBondContact O-CD 3.3Å; I42-K46 WeakPolarHBondContact O-CE 3.45Å; I42-K46 WeakPolarHBondContact O-CG 3.35Å; I42-K46 PolarHBondContact O-NZ 2.9Å
43	N	40.8	Very low	47.6	Very low	79 Å²	79	113.2 Å²	113.2	42%	0.422	55%	0.552	S	S	.	*	H	α-helix	trans	-95.8	-26.5	173.9	-76.4	-38.3	0	0	0	113.9	L39 T40 I41 K46	L39-N43 PolarHBondContact O-N 3.11Å; L39-N43 PolarHBondContact O-ND2 2.95Å; T40-N43 WeakPolarHBondContact O-CA 3.45Å; T40-N43 PolarHBondContact O-N 3.07Å; I41-N43 PolarHBondContact O-N 3.41Å; N43-K46 PolarHBondContact OD1-NZ 3.43Å
44	Q	42.6	Very low	49.3	Very low	146 Å²	146	105.7 Å²	105.7	68%	0.682	53%	0.532	S	S	*	.	H	α-helix	trans	-71	-45.1	174	-72.7	-179.4	-21.5	0	0	111.6	T40 I41 K46 K47	T40-Q44 PolarHBondContact O-N 2.94Å; I41-Q44 PolarHBondContact O-N 3Å; Q44-K46 PolarHBondContact O-N 3.36Å; Q44-K46 VanDerWaalsContact O-N 3.1Å; Q44-K47 PolarHBondContact O-N 3.45Å
45	E	47.8	Very low	50.8	Low	139 Å²	139	106.7 Å²	106.7	65%	0.65	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-14.1	-178.6	-67	-164.5	138.3	0	0	115	I41 K47 P48	I41-E45 PolarHBondContact O-N 2.98Å; E45-K47 VanDerWaalsContact C-N 3.3Å; E45-K47 PolarHBondContact O-N 3.45Å; E45-P48 VanDerWaalsContact O-CD 3.28Å; E45-P48 WeakPolarHBondContact O-CD 3.49Å; E45-P48 WeakPolarHBondContact O-CG 3.45Å
46	K	42.5	Very low	52.3	Low	96 Å²	96	105.3 Å²	105.3	42%	0.417	53%	0.528	S	S	.	.	H	α-helix	trans	-69.3	-24.5	-180	-75.7	169.7	-172.6	150	0	113.8	I42 N43 Q44 H50	I42-K46 WeakPolarHBondContact O-CD 3.3Å; I42-K46 WeakPolarHBondContact O-CE 3.45Å; I42-K46 WeakPolarHBondContact O-CG 3.35Å; I42-K46 PolarHBondContact O-NZ 2.9Å; N43-K46 PolarHBondContact OD1-NZ 3.43Å; Q44-K46 PolarHBondContact O-N 3.36Å; Q44-K46 VanDerWaalsContact O-N 3.1Å; K46-H50 PolarHBondContact O-N 2.95Å
47	K	41.5	Very low	53.8	Low	177 Å²	177	105.3 Å²	105.3	77%	0.77	53%	0.527	S	S	*	.	H	α-helix	trans	-62.8	-57.7	179	-76	-174.5	175.4	-177.1	0	112.8	Q44 E45 L49 H50 L51	Q44-K47 PolarHBondContact O-N 3.45Å; E45-K47 VanDerWaalsContact C-N 3.3Å; E45-K47 PolarHBondContact O-N 3.45Å; K47-L49 VanDerWaalsContact C-N 3.35Å; K47-L49 PolarHBondContact O-N 3.03Å; K47-H50 PolarHBondContact O-N 2.89Å; K47-L51 PolarHBondContact O-N 3.31Å
48	P	51.8	Low	55.1	Low	81 Å²	81	104.3 Å²	104.3	53%	0.526	53%	0.525	S	S	.	.	H	α-helix	trans	-62.1	-38.5	-179	22.4	-34	0	0	0	113	E45 H50 L51 L52	E45-P48 VanDerWaalsContact O-CD 3.28Å; E45-P48 WeakPolarHBondContact O-CD 3.49Å; E45-P48 WeakPolarHBondContact O-CG 3.45Å; P48-H50 VanDerWaalsContact C-N 3.32Å; P48-H50 PolarHBondContact O-N 3.34Å; P48-L51 PolarHBondContact O-N 3.5Å; P48-L52 WeakPolarHBondContact O-CB 3.49Å; P48-L52 PolarHBondContact O-N 3.1Å
49	L	52.1	Low	56.7	Low	126 Å²	126	101.1 Å²	101.1	66%	0.66	52%	0.519	S	S	*	.	H	α-helix	trans	-62.3	-39.9	-179.4	-161.3	78	0	0	0	112.2	K47 L53	K47-L49 VanDerWaalsContact C-N 3.35Å; K47-L49 PolarHBondContact O-N 3.03Å; L49-L53 WeakPolarHBondContact O-CB 3.14Å; L49-L53 PolarHBondContact O-N 2.86Å
50	H	54.5	Low	58	Low	149 Å²	149	100.5 Å²	100.5	69%	0.69	52%	0.515	S	S	*	.	H	α-helix	trans	-71.1	-34.4	178.6	-139.8	-60.4	0	0	0	112.3	K46 K47 P48 S54	K46-H50 PolarHBondContact O-N 2.95Å; K47-H50 PolarHBondContact O-N 2.89Å; P48-H50 VanDerWaalsContact C-N 3.32Å; P48-H50 PolarHBondContact O-N 3.34Å; H50-S54 PolarHBondContact O-N 3.21Å; H50-S54 VanDerWaalsContact O-N 3.17Å
51	L	63.4	Low	59.1	Low	111 Å²	111	102.1 Å²	102.1	58%	0.581	52%	0.521	S	S	*	.	H	α-helix	trans	-67.6	-47.3	174.8	-156.9	82.4	0	0	0	111	K47 P48 L53 S54 L55	K47-L51 PolarHBondContact O-N 3.31Å; P48-L51 PolarHBondContact O-N 3.5Å; L51-L53 VanDerWaalsContact C-N 3.33Å; L51-L53 PolarHBondContact O-N 3.19Å; L51-S54 PolarHBondContact O-N 3.46Å; L51-S54 PolarHBondContact O-OG 3.47Å; L51-L55 PolarHBondContact O-N 2.06Å
52	L	70.1	Confident	60.4	Low	119 Å²	119	104.5 Å²	104.5	62%	0.623	53%	0.534	S	S	*	.	H	α-helix	trans	-65.3	-36.8	-178.9	-156.8	154.9	0	0	0	111.4	P48 S54 L55 L56	P48-L52 WeakPolarHBondContact O-CB 3.49Å; P48-L52 PolarHBondContact O-N 3.1Å; L52-S54 VanDerWaalsContact C-N 3.35Å; L52-L55 PolarHBondContact O-N 3.46Å; L52-L56 WeakPolarHBondContact O-CB 3.31Å; L52-L56 PolarHBondContact O-N 2.96Å
53	L	66.9	Low	61.3	Low	110 Å²	110	105.2 Å²	105.2	58%	0.576	54%	0.538	S	S	*	.	H	α-helix	trans	-65.9	-35.8	172	-150.6	77.2	0	0	0	112.4	L49 L51 L57	L49-L53 WeakPolarHBondContact O-CB 3.14Å; L49-L53 PolarHBondContact O-N 2.86Å; L51-L53 VanDerWaalsContact C-N 3.33Å; L51-L53 PolarHBondContact O-N 3.19Å; L53-L57 WeakPolarHBondContact O-CB 3.14Å; L53-L57 PolarHBondContact O-N 3.43Å
54	S	70.4	Confident	62	Low	61 Å²	61	104.7 Å²	104.7	43%	0.427	54%	0.54	S	S	.	.	H	α-helix	trans	-71.3	-38.3	175.9	73.8	0	0	0	0	112.8	H50 L51 L52 L57 L58	H50-S54 PolarHBondContact O-N 3.21Å; H50-S54 VanDerWaalsContact O-N 3.17Å; L51-S54 PolarHBondContact O-N 3.46Å; L51-S54 PolarHBondContact O-OG 3.47Å; L52-S54 VanDerWaalsContact C-N 3.35Å; S54-L57 PolarHBondContact O-N 3.16Å; S54-L58 WeakPolarHBondContact O-CB 3.35Å; S54-L58 PolarHBondContact O-N 3.46Å
55	L	73.9	Confident	62.7	Low	103 Å²	103	102.8 Å²	102.8	54%	0.539	54%	0.543	S	S	.	.	H	α-helix	trans	-63.3	-42.4	172.2	-93.9	157.1	0	0	0	111.8	L51 L52 L57 L58 L59	L51-L55 PolarHBondContact O-N 2.06Å; L52-L55 PolarHBondContact O-N 3.46Å; L55-L57 VanDerWaalsContact C-N 3.34Å; L55-L57 PolarHBondContact O-N 3.4Å; L55-L58 PolarHBondContact O-N 2.97Å; L55-L59 WeakPolarHBondContact O-CB 3.48Å; L55-L59 PolarHBondContact O-N 2.93Å
56	L	73.6	Confident	62.9	Low	58 Å²	58	101.1 Å²	101.1	30%	0.304	54%	0.539	S	S	.	.	H	α-helix	trans	-63.7	-40	174.9	-166.9	78	0	0	0	111.7	L52 L59 L60 L81	L52-L56 WeakPolarHBondContact O-CB 3.31Å; L52-L56 PolarHBondContact O-N 2.96Å; L56-L59 PolarHBondContact O-N 3.34Å; L56-L60 HydrophobicContact CG-CD1 4.33Å; L56-L60 WeakPolarHBondContact O-CB 3.34Å; L56-L60 VanDerWaalsContact O-CG 3.3Å; L56-L60 WeakPolarHBondContact O-CG 3.41Å; L56-L60 PolarHBondContact O-N 3.2Å; L56-L81 HydrophobicContact CD2-CD1 4.43Å; L56-L81 HydrophobicContact CD2-CD2 3.63Å
57	L	72.8	Confident	63	Low	98 Å²	98	99.9 Å²	99.9	51%	0.513	54%	0.535	S	S	.	.	H	α-helix	trans	-65.7	-41.5	176.1	-158.6	78.8	0	0	0	111.5	L53 S54 L55 L60 L61	L53-L57 WeakPolarHBondContact O-CB 3.14Å; L53-L57 PolarHBondContact O-N 3.43Å; S54-L57 PolarHBondContact O-N 3.16Å; L55-L57 VanDerWaalsContact C-N 3.34Å; L55-L57 PolarHBondContact O-N 3.4Å; L57-L60 PolarHBondContact O-N 3.34Å; L57-L61 WeakPolarHBondContact O-CB 3.42Å; L57-L61 VanDerWaalsContact O-CG 3.3Å; L57-L61 WeakPolarHBondContact O-CG 3.28Å; L57-L61 PolarHBondContact O-N 3Å
58	L	75	Confident	63.5	Low	101 Å²	101	97.9 Å²	97.9	53%	0.529	53%	0.533	S	S	.	.	H	α-helix	trans	-62.8	-43.4	175.1	-164.5	78.4	0	0	0	111.3	S54 L55 L61 L62	S54-L58 WeakPolarHBondContact O-CB 3.35Å; S54-L58 PolarHBondContact O-N 3.46Å; L55-L58 PolarHBondContact O-N 2.97Å; L58-L61 PolarHBondContact O-N 3.23Å; L58-L62 HydrophobicContact CG-CD1 4.26Å; L58-L62 VanDerWaalsContact O-CG 3.31Å; L58-L62 WeakPolarHBondContact O-CG 3.16Å; L58-L62 PolarHBondContact O-N 3.14Å
59	L	74.3	Confident	63.5	Low	97 Å²	97	103 Å²	103	51%	0.508	55%	0.547	S	S	.	.	H	α-helix	trans	-62.5	-43.4	176.5	-164.6	78.7	0	0	0	111.6	L55 L56 L61 L62 L63	L55-L59 WeakPolarHBondContact O-CB 3.48Å; L55-L59 PolarHBondContact O-N 2.93Å; L56-L59 PolarHBondContact O-N 3.34Å; L59-L61 VanDerWaalsContact C-N 3.34Å; L59-L61 PolarHBondContact O-N 2.95Å; L59-L62 PolarHBondContact O-N 3.32Å; L59-L63 HydrophobicContact CD2-CD1 4.44Å; L59-L63 HydrophobicContact CG-CD1 4.1Å; L59-L63 WeakPolarHBondContact O-CB 3.49Å; L59-L63 WeakPolarHBondContact O-CD1 3.49Å; L59-L63 VanDerWaalsContact O-CG 3.23Å; L59-L63 WeakPolarHBondContact O-CG 3.29Å; L59-L63 PolarHBondContact O-N 2.88Å
60	L	70.1	Confident	63.7	Low	54 Å²	54	103.2 Å²	103.2	28%	0.283	54%	0.539	S	S	.	.	H	α-helix	trans	-64.8	-36	175.6	-73.9	167.2	0	0	0	112.5	L56 L57 S64 L74 F78	L56-L60 HydrophobicContact CG-CD1 4.33Å; L56-L60 WeakPolarHBondContact O-CB 3.34Å; L56-L60 VanDerWaalsContact O-CG 3.3Å; L56-L60 WeakPolarHBondContact O-CG 3.41Å; L56-L60 PolarHBondContact O-N 3.2Å; L57-L60 PolarHBondContact O-N 3.34Å; L60-S64 PolarHBondContact O-N 3.07Å; L60-S64 VanDerWaalsContact O-N 3.15Å; L60-L74 HydrophobicContact CD2-CD2 3.71Å; L60-F78 HydrophobicContact CD1-CE2 4.48Å
61	L	71.7	Confident	63.3	Low	108 Å²	108	101.9 Å²	101.9	57%	0.565	53%	0.531	S	S	*	.	H	α-helix	trans	-67.8	-44.3	173.4	-74.2	165.6	0	0	0	111.7	L57 L58 L59 L63 S64	L57-L61 WeakPolarHBondContact O-CB 3.42Å; L57-L61 VanDerWaalsContact O-CG 3.3Å; L57-L61 WeakPolarHBondContact O-CG 3.28Å; L57-L61 PolarHBondContact O-N 3Å; L58-L61 PolarHBondContact O-N 3.23Å; L59-L61 VanDerWaalsContact C-N 3.34Å; L59-L61 PolarHBondContact O-N 2.95Å; L61-L63 PolarHBondContact O-N 2.68Å; L61-S64 WeakPolarHBondContact O-CB 3.37Å; L61-S64 PolarHBondContact O-N 2.85Å; L61-S64 VanDerWaalsContact O-N 3.17Å; L61-S64 PolarHBondContact O-OG 3.17Å
62	L	70.5	Confident	63	Low	119 Å²	119	104.4 Å²	104.4	62%	0.623	54%	0.54	S	S	*	.	H	α-helix	trans	-62.5	-43	176.2	-71.4	165.1	0	0	0	111.8	L58 L59 S64 S65	L58-L62 HydrophobicContact CG-CD1 4.26Å; L58-L62 VanDerWaalsContact O-CG 3.31Å; L58-L62 WeakPolarHBondContact O-CG 3.16Å; L58-L62 PolarHBondContact O-N 3.14Å; L59-L62 PolarHBondContact O-N 3.32Å; L62-S64 PolarHBondContact O-N 3.09Å; L62-S65 PolarHBondContact O-N 3.09Å; L62-S65 PolarHBondContact O-OG 3.05Å
63	L	61.3	Low	62.4	Low	77 Å²	77	103.5 Å²	103.5	40%	0.403	54%	0.535	S	S	.	.	H	α-helix	trans	-66.6	-20.6	176	-72.3	167.7	0	0	0	113.6	L59 L61 S65 N66	L59-L63 HydrophobicContact CD2-CD1 4.44Å; L59-L63 HydrophobicContact CG-CD1 4.1Å; L59-L63 WeakPolarHBondContact O-CB 3.49Å; L59-L63 WeakPolarHBondContact O-CD1 3.49Å; L59-L63 VanDerWaalsContact O-CG 3.23Å; L59-L63 WeakPolarHBondContact O-CG 3.29Å; L59-L63 PolarHBondContact O-N 2.88Å; L61-L63 PolarHBondContact O-N 2.68Å; L63-S65 PolarHBondContact O-N 3.43Å; L63-S65 VanDerWaalsContact O-N 3.13Å; L63-N66 PolarHBondContact O-N 2.99Å
64	S	55.4	Low	62	Low	68 Å²	68	99.6 Å²	99.6	48%	0.476	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-64.3	-15.9	179	78.9	0	0	0	0	113.9	L60 L61 L62 N66 M67	L60-S64 PolarHBondContact O-N 3.07Å; L60-S64 VanDerWaalsContact O-N 3.15Å; L61-S64 WeakPolarHBondContact O-CB 3.37Å; L61-S64 PolarHBondContact O-N 2.85Å; L61-S64 VanDerWaalsContact O-N 3.17Å; L61-S64 PolarHBondContact O-OG 3.17Å; L62-S64 PolarHBondContact O-N 3.09Å; S64-N66 VanDerWaalsContact C-N 3.31Å; S64-N66 PolarHBondContact O-N 3.38Å; S64-M67 WeakPolarHBondContact O-CG 3.47Å
65	S	56.7	Low	61.1	Low	107 Å²	107	98.8 Å²	98.8	75%	0.748	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-67.1	-22.3	175.9	60.1	0	0	0	0	114.8	L62 L63	L62-S65 PolarHBondContact O-N 3.09Å; L62-S65 PolarHBondContact O-OG 3.05Å; L63-S65 PolarHBondContact O-N 3.43Å; L63-S65 VanDerWaalsContact O-N 3.13Å
66	N	52.7	Low	60.4	Low	103 Å²	103	98.4 Å²	98.4	55%	0.551	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-133.8	47.4	-171.2	-155.4	-21.7	0	0	0	113	L63 S64 N68	L63-N66 PolarHBondContact O-N 2.99Å; S64-N66 VanDerWaalsContact C-N 3.31Å; S64-N66 PolarHBondContact O-N 3.38Å; N66-N68 VanDerWaalsContact C-N 3.29Å; N66-N68 PolarHBondContact O-N 3.37Å; N66-N68 VanDerWaalsContact O-N 3.14Å
67	M	44.3	Very low	59.9	Low	71 Å²	71	99 Å²	99	35%	0.35	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-2.9	-164.4	-76.7	-74.4	-77.5	0	0	116.8	S64 K71 L74	S64-M67 WeakPolarHBondContact O-CG 3.47Å; M67-K71 WeakPolarHBondContact O-CE 3.46Å; M67-K71 WeakPolarHBondContact O-CG 3.38Å; M67-L74 HydrophobicContact CE-CD1 4.07Å; M67-L74 HydrophobicContact SD-CD1 3.65Å
68	N	52.8	Low	59.1	Low	134 Å²	134	98.8 Å²	98.8	72%	0.717	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-30.3	-176.7	-86.2	-26.2	0	0	0	114.6	N66 K71	N66-N68 VanDerWaalsContact C-N 3.29Å; N66-N68 PolarHBondContact O-N 3.37Å; N66-N68 VanDerWaalsContact O-N 3.14Å; N68-K71 PolarHBondContact OD1-NZ 3.2Å; N68-K71 VanDerWaalsContact OD1-NZ 3.08Å
69	K	50.5	Low	58.1	Low	188 Å²	188	98.3 Å²	98.3	82%	0.817	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-25.6	178.4	-81.7	-173	173.1	-178.9	0	114.8
70	W	56.6	Low	57.8	Low	132 Å²	132	98.8 Å²	98.8	50%	0.5	51%	0.509	S	S	.	.			trans	-97.8	4.9	-167.1	-64.8	108.8	0	0	0	116.4	H72 L73 L74	W70-H72 VanDerWaalsContact C-N 3.32Å; W70-H72 PolarHBondContact O-N 3.44Å; W70-L73 HydrophobicContact CE3-CB 4.09Å; W70-L73 HydrophobicContact CE3-CD2 3.78Å; W70-L73 HydrophobicContact CZ3-CD2 3.79Å; W70-L73 PolarHBondContact O-N 2.98Å; W70-L73 VanDerWaalsContact O-N 3.11Å; W70-L74 HydrophobicContact CB-CD1 4.32Å; W70-L74 PolarHBondContact O-N 3Å; W70-L74 VanDerWaalsContact O-N 3.07Å
71	K	46.8	Very low	57.4	Low	120 Å²	120	99.7 Å²	99.7	52%	0.522	51%	0.513	S	S	.	.	H	α-helix	trans	-51.7	-43.5	-172.6	-66.2	179.1	-179.4	163.9	0	114	M67 N68 C75	M67-K71 WeakPolarHBondContact O-CE 3.46Å; M67-K71 WeakPolarHBondContact O-CG 3.38Å; N68-K71 PolarHBondContact OD1-NZ 3.2Å; N68-K71 VanDerWaalsContact OD1-NZ 3.08Å; K71-C75 PolarHBondContact O-N 3.04Å
72	H	56.8	Low	56.6	Low	165 Å²	165	97 Å²	97	76%	0.764	50%	0.496	S	S	*	.	H	α-helix	trans	-71.8	-40.3	179.8	-109.5	-78.8	0	0	0	113.4	W70 C75 N76	W70-H72 VanDerWaalsContact C-N 3.32Å; W70-H72 PolarHBondContact O-N 3.44Å; H72-C75 PolarHBondContact O-N 2.92Å; H72-N76 PolarHBondContact O-N 3.35Å
73	L	57.7	Low	55.9	Low	100 Å²	100	95.9 Å²	95.9	52%	0.524	49%	0.487	S	S	.	.	H	α-helix	trans	-66.2	-42	-180	-160.8	80.8	0	0	0	110.8	W70 C75 N76 T77	W70-L73 HydrophobicContact CE3-CB 4.09Å; W70-L73 HydrophobicContact CE3-CD2 3.78Å; W70-L73 HydrophobicContact CZ3-CD2 3.79Å; W70-L73 PolarHBondContact O-N 2.98Å; W70-L73 VanDerWaalsContact O-N 3.11Å; L73-C75 PolarHBondContact O-N 3.19Å; L73-N76 PolarHBondContact O-N 3.3Å; L73-T77 HydrophobicContact CG-CG2 4.33Å; L73-T77 WeakPolarHBondContact O-CG2 3.31Å; L73-T77 PolarHBondContact O-N 3.5Å; L73-T77 PolarHBondContact O-OG1 3.27Å; L73-T77 VanDerWaalsContact O-OG1 3.1Å
74	L	57.1	Low	55.8	Low	27 Å²	27	99.2 Å²	99.2	14%	0.141	50%	0.496	C	S	.	.	H	α-helix	trans	-58.1	-44.7	177.1	-89.7	158.7	0	0	0	113.2	L60 M67 W70 N76 T77 F78	L60-L74 HydrophobicContact CD2-CD2 3.71Å; M67-L74 HydrophobicContact CE-CD1 4.07Å; M67-L74 HydrophobicContact SD-CD1 3.65Å; W70-L74 HydrophobicContact CB-CD1 4.32Å; W70-L74 PolarHBondContact O-N 3Å; W70-L74 VanDerWaalsContact O-N 3.07Å; L74-N76 VanDerWaalsContact C-N 3.31Å; L74-N76 PolarHBondContact O-N 3.08Å; L74-T77 PolarHBondContact O-OG1 3.36Å; L74-F78 WeakPolarHBondContact O-CB 3.38Å; L74-F78 PolarHBondContact O-N 2.96Å; L74-F78 VanDerWaalsContact O-N 3.16Å
75	C	53	Low	56.2	Low	44 Å²	44	99.8 Å²	99.8	30%	0.297	49%	0.492	S	S	.	.	H	α-helix	trans	-72.6	-25.3	-179.8	-158.2	0	0	0	0	112	K71 H72 L73 K79 C160	K71-C75 PolarHBondContact O-N 3.04Å; H72-C75 PolarHBondContact O-N 2.92Å; L73-C75 PolarHBondContact O-N 3.19Å; C75-K79 PolarHBondContact O-N 3.3Å; C75-C160 WeakPolarHBondContact CB-SG 3.3Å; C75-C160 WeakPolarHBondContact SG-CB 3.29Å; C75-C160 CovalentContact SG-SG 2.06Å; C75-C160 PolarHBondContact SG-SG 2.91Å
76	N	58.8	Low	56	Low	96 Å²	96	97.6 Å²	97.6	51%	0.513	47%	0.47	S	S	.	.	H	α-helix	trans	-78.1	-43.9	172	-102.7	-2.9	0	0	0	113.5	H72 L73 L74 F78 K79 V80	H72-N76 PolarHBondContact O-N 3.35Å; L73-N76 PolarHBondContact O-N 3.3Å; L74-N76 VanDerWaalsContact C-N 3.31Å; L74-N76 PolarHBondContact O-N 3.08Å; N76-F78 VanDerWaalsContact C-N 3.33Å; N76-F78 PolarHBondContact O-N 3.4Å; N76-K79 VanDerWaalsContact O-CB 3.28Å; N76-K79 WeakPolarHBondContact O-CB 3.48Å; N76-K79 PolarHBondContact O-N 2.96Å; N76-V80 PolarHBondContact O-N 3.12Å
77	T	62.5	Low	56.4	Low	71 Å²	71	95.8 Å²	95.8	44%	0.436	46%	0.46	S	S	.	.	H	α-helix	trans	-64.4	-37.9	178.4	50.4	0	0	0	0	111.8	L73 L74 K79 V80 L81	L73-T77 HydrophobicContact CG-CG2 4.33Å; L73-T77 WeakPolarHBondContact O-CG2 3.31Å; L73-T77 PolarHBondContact O-N 3.5Å; L73-T77 PolarHBondContact O-OG1 3.27Å; L73-T77 VanDerWaalsContact O-OG1 3.1Å; L74-T77 PolarHBondContact O-OG1 3.36Å; T77-K79 VanDerWaalsContact C-N 3.28Å; T77-K79 PolarHBondContact O-N 3.38Å; T77-V80 PolarHBondContact O-N 3.11Å; T77-L81 WeakPolarHBondContact O-CB 3.28Å; T77-L81 PolarHBondContact O-N 3.05Å
78	F	56.9	Low	57.3	Low	93 Å²	93	94.6 Å²	94.6	41%	0.408	46%	0.456	S	S	.	.	H	α-helix	trans	-59	-37.6	170.1	-104.1	-88.1	0	0	0	112.9	L60 L74 N76 Y82	L60-F78 HydrophobicContact CD1-CE2 4.48Å; L74-F78 WeakPolarHBondContact O-CB 3.38Å; L74-F78 PolarHBondContact O-N 2.96Å; L74-F78 VanDerWaalsContact O-N 3.16Å; N76-F78 VanDerWaalsContact C-N 3.33Å; N76-F78 PolarHBondContact O-N 3.4Å; F78-Y82 WeakPolarHBondContact O-CB 3.43Å; F78-Y82 PolarHBondContact O-N 2.84Å
79	K	53.7	Low	57.7	Low	91 Å²	91	93.1 Å²	93.1	40%	0.396	45%	0.447	S	S	.	.	H	α-helix	trans	-65.6	-41.1	-179.5	-162.8	177.6	-176.7	-179.9	0	111.9	C75 N76 T77 H83 M167	C75-K79 PolarHBondContact O-N 3.3Å; N76-K79 VanDerWaalsContact O-CB 3.28Å; N76-K79 WeakPolarHBondContact O-CB 3.48Å; N76-K79 PolarHBondContact O-N 2.96Å; T77-K79 VanDerWaalsContact C-N 3.28Å; T77-K79 PolarHBondContact O-N 3.38Å; K79-H83 PolarHBondContact O-N 2.82Å; K79-M167 HydrophobicContact CG-CE 4.29Å
80	V	67.1	Low	57.9	Low	107 Å²	107	89.3 Å²	89.3	65%	0.648	43%	0.431	S	S	*	.	H	α-helix	trans	-69.6	-50	175.5	179.1	0	0	0	0	111.2	N76 T77 Y82 H83 Y84	N76-V80 PolarHBondContact O-N 3.12Å; T77-V80 PolarHBondContact O-N 3.11Å; V80-Y82 VanDerWaalsContact C-N 3.32Å; V80-Y82 PolarHBondContact O-N 3.47Å; V80-H83 PolarHBondContact O-N 3.04Å; V80-H83 VanDerWaalsContact O-N 3.15Å; V80-Y84 PolarHBondContact O-N 3.25Å; V80-Y84 VanDerWaalsContact O-N 3.15Å
81	L	61.5	Low	58.1	Low	72 Å²	72	85.8 Å²	85.8	38%	0.377	42%	0.421	S	S	.	.	H	α-helix	trans	-59.8	-41.8	-179.1	-171.2	74.7	0	0	0	111.9	L56 T77 Y84 I85	L56-L81 HydrophobicContact CD2-CD1 4.43Å; L56-L81 HydrophobicContact CD2-CD2 3.63Å; T77-L81 WeakPolarHBondContact O-CB 3.28Å; T77-L81 PolarHBondContact O-N 3.05Å; L81-Y84 PolarHBondContact O-N 3.43Å; L81-I85 HydrophobicContact CD2-CD1 4.5Å; L81-I85 HydrophobicContact CG-CD1 4.03Å; L81-I85 WeakPolarHBondContact O-CG1 3.31Å; L81-I85 PolarHBondContact O-N 3.49Å
82	Y	56.6	Low	58.6	Low	52 Å²	52	85.2 Å²	85.2	20%	0.204	42%	0.422	C	S	.	.	H	α-helix	trans	-60.7	-43.4	175.7	169	-99.4	0	0	0	112.4	F78 V80 I85 K86 M167 V171	F78-Y82 WeakPolarHBondContact O-CB 3.43Å; F78-Y82 PolarHBondContact O-N 2.84Å; V80-Y82 VanDerWaalsContact C-N 3.32Å; V80-Y82 PolarHBondContact O-N 3.47Å; Y82-I85 PolarHBondContact O-N 3.26Å; Y82-K86 VanDerWaalsContact O-CB 3.31Å; Y82-K86 WeakPolarHBondContact O-CB 3.35Å; Y82-K86 PolarHBondContact O-N 3.36Å; Y82-M167 HydrophobicContact CD1-CE 3.95Å; Y82-M167 HydrophobicContact CD1-SD 3.76Å; Y82-M167 HydrophobicContact CE1-CE 4.09Å; Y82-M167 HydrophobicContact CE1-CG 4.38Å; Y82-M167 HydrophobicContact CE1-SD 3.34Å; Y82-M167 WeakPolarHBondContact CE1-SD 3.47Å; Y82-V171 HydrophobicContact CE2-CG2 3.68Å; Y82-V171 WeakPolarHBondContact OH-CG2 3.34Å
83	H	55.4	Low	58.7	Low	96 Å²	96	79.7 Å²	79.7	44%	0.444	40%	0.396	S	S	.	.	H	α-helix	trans	-60	-48.9	177.5	-117.5	-89.2	0	0	0	111.1	K79 V80 I85 K86 D87	K79-H83 PolarHBondContact O-N 2.82Å; V80-H83 PolarHBondContact O-N 3.04Å; V80-H83 VanDerWaalsContact O-N 3.15Å; H83-I85 VanDerWaalsContact C-N 3.33Å; H83-I85 PolarHBondContact O-N 3.22Å; H83-K86 WeakPolarHBondContact O-CB 3.5Å; H83-K86 PolarHBondContact O-N 2.99Å; H83-K86 VanDerWaalsContact O-N 3.15Å; H83-D87 IonicContact ND1-OD2 3.39Å; H83-D87 PolarHBondContact ND1-OD2 3.01Å; H83-D87 PolarHBondContact O-N 3.25Å
84	Y	59.4	Low	58.6	Low	147 Å²	147	76.7 Å²	76.7	58%	0.576	39%	0.389	S	S	*	.	H	α-helix	trans	-57.1	-45.3	178.4	-154.7	-85.8	0	0	0	112.1	V80 L81 V88	V80-Y84 PolarHBondContact O-N 3.25Å; V80-Y84 VanDerWaalsContact O-N 3.15Å; L81-Y84 PolarHBondContact O-N 3.43Å; Y84-V88 HydrophobicContact CD1-CG2 4.09Å; Y84-V88 HydrophobicContact CE1-CG2 4.03Å; Y84-V88 WeakPolarHBondContact O-CB 3.34Å; Y84-V88 VanDerWaalsContact O-CG2 3.29Å; Y84-V88 WeakPolarHBondContact O-CG2 3.3Å; Y84-V88 PolarHBondContact O-N 3.37Å; Y84-V88 VanDerWaalsContact O-N 3.08Å
85	I	63.3	Low	58.8	Low	79 Å²	79	79.6 Å²	79.6	41%	0.405	40%	0.404	S	S	.	.	H	α-helix	trans	-64.5	-43.5	177	-68.6	167.9	0	0	0	111.5	L81 Y82 H83 D87 I89	L81-I85 HydrophobicContact CD2-CD1 4.5Å; L81-I85 HydrophobicContact CG-CD1 4.03Å; L81-I85 WeakPolarHBondContact O-CG1 3.31Å; L81-I85 PolarHBondContact O-N 3.49Å; Y82-I85 PolarHBondContact O-N 3.26Å; H83-I85 VanDerWaalsContact C-N 3.33Å; H83-I85 PolarHBondContact O-N 3.22Å; I85-D87 PolarHBondContact O-N 3.33Å; I85-I89 HydrophobicContact CG2-CD1 3.73Å; I85-I89 WeakPolarHBondContact O-CB 3.21Å; I85-I89 VanDerWaalsContact O-CG1 3.26Å; I85-I89 WeakPolarHBondContact O-CG1 3.24Å; I85-I89 PolarHBondContact O-N 3.33Å
86	K	52	Low	59.1	Low	62 Å²	62	82.3 Å²	82.3	27%	0.27	41%	0.409	S	S	.	.	H	α-helix	trans	-60.5	-45.5	179.6	-170.7	-140.9	77.9	-138.4	0	111.4	Y82 H83 F90	Y82-K86 VanDerWaalsContact O-CB 3.31Å; Y82-K86 WeakPolarHBondContact O-CB 3.35Å; Y82-K86 PolarHBondContact O-N 3.36Å; H83-K86 WeakPolarHBondContact O-CB 3.5Å; H83-K86 PolarHBondContact O-N 2.99Å; H83-K86 VanDerWaalsContact O-N 3.15Å; K86-F90 PolarHBondContact O-N 3.07Å; K86-F90 VanDerWaalsContact O-N 3.16Å
87	D	62.4	Low	58.8	Low	65 Å²	65	80.5 Å²	80.5	35%	0.348	40%	0.399	S	S	.	.	H	α-helix	trans	-72.4	-40.8	-176.9	-68.7	-47.8	0	0	0	111.8	H83 I85 I89 F90 I91	H83-D87 IonicContact ND1-OD2 3.39Å; H83-D87 PolarHBondContact ND1-OD2 3.01Å; H83-D87 PolarHBondContact O-N 3.25Å; I85-D87 PolarHBondContact O-N 3.33Å; D87-I89 PolarHBondContact O-N 3.49Å; D87-F90 PolarHBondContact O-N 3.26Å; D87-I91 WeakPolarHBondContact O-CD1 3.44Å; D87-I91 WeakPolarHBondContact O-CG1 3.46Å; D87-I91 PolarHBondContact O-N 3.18Å; D87-I91 VanDerWaalsContact O-N 3.09Å
88	V	62	Low	58.5	Low	46 Å²	46	83.9 Å²	83.9	28%	0.279	41%	0.405	S	S	.	.	H	α-helix	trans	-60.9	-42.6	172.8	170.1	0	0	0	0	112.2	M1 Y84 F90 I91 M92	M1-V88 HydrophobicContact SD-CG1 4.4Å; M1-V88 HydrophobicContact SD-CG2 3.89Å; Y84-V88 HydrophobicContact CD1-CG2 4.09Å; Y84-V88 HydrophobicContact CE1-CG2 4.03Å; Y84-V88 WeakPolarHBondContact O-CB 3.34Å; Y84-V88 VanDerWaalsContact O-CG2 3.29Å; Y84-V88 WeakPolarHBondContact O-CG2 3.3Å; Y84-V88 PolarHBondContact O-N 3.37Å; Y84-V88 VanDerWaalsContact O-N 3.08Å; V88-F90 VanDerWaalsContact C-N 3.31Å; V88-F90 PolarHBondContact O-N 3.47Å; V88-I91 PolarHBondContact O-N 3.29Å; V88-M92 WeakPolarHBondContact O-CG 3.46Å; V88-M92 PolarHBondContact O-N 3.01Å; V88-M92 VanDerWaalsContact O-N 3.11Å
89	I	60.5	Low	58.8	Low	102 Å²	102	84.1 Å²	84.1	52%	0.523	41%	0.409	S	S	.	.	H	α-helix	trans	-62.3	-40	176.5	-71.4	169	0	0	0	111.1	I85 D87 F93	I85-I89 HydrophobicContact CG2-CD1 3.73Å; I85-I89 WeakPolarHBondContact O-CB 3.21Å; I85-I89 VanDerWaalsContact O-CG1 3.26Å; I85-I89 WeakPolarHBondContact O-CG1 3.24Å; I85-I89 PolarHBondContact O-N 3.33Å; D87-I89 PolarHBondContact O-N 3.49Å; I89-F93 WeakPolarHBondContact O-CB 3.34Å; I89-F93 PolarHBondContact O-N 3.37Å; I89-F93 VanDerWaalsContact O-N 3.07Å
90	F	55.9	Low	59	Low	109 Å²	109	83.6 Å²	83.6	48%	0.478	41%	0.405	S	S	.	.	H	α-helix	trans	-64.2	-43.3	179.1	-123.8	-90.5	0	0	0	112.3	K86 D87 V88 F93 G94	K86-F90 PolarHBondContact O-N 3.07Å; K86-F90 VanDerWaalsContact O-N 3.16Å; D87-F90 PolarHBondContact O-N 3.26Å; V88-F90 VanDerWaalsContact C-N 3.31Å; V88-F90 PolarHBondContact O-N 3.47Å; F90-F93 PolarHBondContact O-N 3.43Å; F90-G94 PolarHBondContact O-N 2.93Å
91	I	59.6	Low	58	Low	57 Å²	57	84.5 Å²	84.5	29%	0.292	40%	0.403	S	S	.	.	H	α-helix	trans	-64.2	-48	179.1	-66.6	160.1	0	0	0	110.9	F2 D87 V88 F93 G94 L95	F2-I91 HydrophobicContact CD2-CD1 4.4Å; F2-I91 HydrophobicContact CE2-CD1 3.41Å; F2-I91 VanDerWaalsContact CE2-CD1 3.41Å; F2-I91 HydrophobicContact CZ-CD1 3.56Å; F2-I91 HydrophobicContact CZ-CG1 4.5Å; D87-I91 WeakPolarHBondContact O-CD1 3.44Å; D87-I91 WeakPolarHBondContact O-CG1 3.46Å; D87-I91 PolarHBondContact O-N 3.18Å; D87-I91 VanDerWaalsContact O-N 3.09Å; V88-I91 PolarHBondContact O-N 3.29Å; I91-F93 VanDerWaalsContact C-N 3.3Å; I91-F93 PolarHBondContact O-N 2.92Å; I91-G94 PolarHBondContact O-N 3.48Å; I91-L95 HydrophobicContact CG2-CD1 4.07Å; I91-L95 PolarHBondContact O-N 3.31Å
92	M	57.4	Low	57.5	Low	108 Å²	108	88.1 Å²	88.1	53%	0.532	41%	0.412	S	S	.	.	H	α-helix	trans	-62.9	-36.1	178.9	-67.8	-63.8	-77.2	0	0	112.3	V88 Y96	V88-M92 WeakPolarHBondContact O-CG 3.46Å; V88-M92 PolarHBondContact O-N 3.01Å; V88-M92 VanDerWaalsContact O-N 3.11Å; M92-Y96 WeakPolarHBondContact O-CB 3.43Å; M92-Y96 PolarHBondContact O-N 3.01Å; M92-Y96 VanDerWaalsContact O-N 3.16Å
93	F	60.4	Low	57.3	Low	49 Å²	49	89.2 Å²	89.2	22%	0.215	42%	0.421	C	S	.	.	H	α-helix	trans	-70.9	-39	174.3	-173.6	-106.8	0	0	0	112.4	I89 F90 I91 Y96 L97 N178	I89-F93 WeakPolarHBondContact O-CB 3.34Å; I89-F93 PolarHBondContact O-N 3.37Å; I89-F93 VanDerWaalsContact O-N 3.07Å; F90-F93 PolarHBondContact O-N 3.43Å; I91-F93 VanDerWaalsContact C-N 3.3Å; I91-F93 PolarHBondContact O-N 2.92Å; F93-Y96 PolarHBondContact O-N 3.49Å; F93-L97 HydrophobicContact CD1-CD1 3.96Å; F93-L97 HydrophobicContact CD1-CG 4.4Å; F93-L97 HydrophobicContact CE1-CD1 3.48Å; F93-L97 VanDerWaalsContact CE1-CD1 3.48Å; F93-L97 HydrophobicContact CE1-CG 4.09Å; F93-L97 HydrophobicContact CZ-CD1 3.98Å; F93-L97 HydrophobicContact CZ-CD2 4.34Å; F93-L97 HydrophobicContact CZ-CG 4.22Å; F93-L97 WeakPolarHBondContact O-CG 3.19Å; F93-L97 PolarHBondContact O-N 3.27Å; F93-N178 HydrophobicContact CE1-CB 4.08Å; F93-N178 HydrophobicContact CZ-CB 4.4Å
94	G	55.8	Low	56.9	Low	38 Å²	38	87.5 Å²	87.5	39%	0.392	42%	0.415	S	S	.	.	H	α-helix	trans	-60.9	-48	174.8	0	0	0	0	0	112.8	F90 I91 Y96 L97 Y98	F90-G94 PolarHBondContact O-N 2.93Å; I91-G94 PolarHBondContact O-N 3.48Å; G94-Y96 PolarHBondContact O-N 3.04Å; G94-L97 PolarHBondContact O-N 3.07Å; G94-Y98 PolarHBondContact O-N 3.48Å
95	L	60.4	Low	55.9	Low	88 Å²	88	87 Å²	87	46%	0.461	42%	0.418	S	S	.	.	H	α-helix	trans	-59.6	-44.2	175.1	-74.2	166.5	0	0	0	111.9	I91 L97 Y98 I99	I91-L95 HydrophobicContact CG2-CD1 4.07Å; I91-L95 PolarHBondContact O-N 3.31Å; L95-L97 PolarHBondContact O-N 3.15Å; L95-Y98 PolarHBondContact O-N 3.38Å; L95-I99 WeakPolarHBondContact O-CG1 3.31Å; L95-I99 PolarHBondContact O-N 3.43Å
96	Y	60.3	Low	55	Low	101 Å²	101	88.1 Å²	88.1	40%	0.396	42%	0.424	S	S	.	.	H	α-helix	trans	-60.3	-43.4	176	176	-98.6	0	0	0	112.7	M92 F93 G94 R100 F182	M92-Y96 WeakPolarHBondContact O-CB 3.43Å; M92-Y96 PolarHBondContact O-N 3.01Å; M92-Y96 VanDerWaalsContact O-N 3.16Å; F93-Y96 PolarHBondContact O-N 3.49Å; G94-Y96 PolarHBondContact O-N 3.04Å; Y96-R100 WeakPolarHBondContact O-CB 3.38Å; Y96-R100 PolarHBondContact O-N 3.48Å; Y96-R100 VanDerWaalsContact O-N 3.13Å; Y96-R100 PolarHBondContact OH-NH1 3.39Å; Y96-F182 HydrophobicContact CE1-CE2 4.16Å; Y96-F182 AromaticContact CE1-CZ 3.84Å; Y96-F182 HydrophobicContact CE1-CZ 3.84Å
97	L	51.3	Low	54.3	Low	58 Å²	58	95.2 Å²	95.2	30%	0.304	45%	0.45	S	S	.	.	H	α-helix	trans	-65.2	-42.5	176	-73.4	-177.9	0	0	0	112.1	F93 G94 L95 R100 M101 F182	F93-L97 HydrophobicContact CD1-CD1 3.96Å; F93-L97 HydrophobicContact CD1-CG 4.4Å; F93-L97 HydrophobicContact CE1-CD1 3.48Å; F93-L97 VanDerWaalsContact CE1-CD1 3.48Å; F93-L97 HydrophobicContact CE1-CG 4.09Å; F93-L97 HydrophobicContact CZ-CD1 3.98Å; F93-L97 HydrophobicContact CZ-CD2 4.34Å; F93-L97 HydrophobicContact CZ-CG 4.22Å; F93-L97 WeakPolarHBondContact O-CG 3.19Å; F93-L97 PolarHBondContact O-N 3.27Å; G94-L97 PolarHBondContact O-N 3.07Å; L95-L97 PolarHBondContact O-N 3.15Å; L97-R100 PolarHBondContact O-N 3.42Å; L97-M101 VanDerWaalsContact O-CB 3.31Å; L97-M101 WeakPolarHBondContact O-CB 3.41Å; L97-M101 WeakPolarHBondContact O-CG 3.49Å; L97-M101 PolarHBondContact O-N 3.37Å; L97-F182 HydrophobicContact CD2-CD2 3.71Å; L97-F182 HydrophobicContact CD2-CE2 3.82Å
98	Y	56	Low	53	Low	142 Å²	142	100.6 Å²	100.6	56%	0.557	47%	0.471	S	S	*	.	H	α-helix	trans	-59.2	-51.7	178.6	177.1	-96	0	0	0	111.9	G94 L95 R100 M101 R102	G94-Y98 PolarHBondContact O-N 3.48Å; L95-Y98 PolarHBondContact O-N 3.38Å; Y98-R100 VanDerWaalsContact C-N 3.33Å; Y98-R100 PolarHBondContact O-N 3.32Å; Y98-M101 PolarHBondContact O-N 3.23Å; Y98-R102 PolarHBondContact O-N 3.35Å
99	I	63.3	Low	51.8	Low	97 Å²	97	107 Å²	107	50%	0.497	50%	0.495	S	S	.	.	H	α-helix	trans	-58.8	-45.7	178.3	-65.6	165.5	0	0	0	110.5	L95 R102 N103	L95-I99 WeakPolarHBondContact O-CG1 3.31Å; L95-I99 PolarHBondContact O-N 3.43Å; I99-R102 PolarHBondContact O-N 3.21Å; I99-N103 PolarHBondContact O-N 3.49Å; I99-N103 VanDerWaalsContact O-N 3.17Å
100	R	58.3	Low	50.6	Low	81 Å²	81	108.1 Å²	108.1	31%	0.306	50%	0.502	S	S	.	.	H	α-helix	trans	-67.7	-38.2	-179.1	-172	167.3	177.5	155.7	1.5	112.7	Y96 L97 Y98 I104	Y96-R100 WeakPolarHBondContact O-CB 3.38Å; Y96-R100 PolarHBondContact O-N 3.48Å; Y96-R100 VanDerWaalsContact O-N 3.13Å; Y96-R100 PolarHBondContact OH-NH1 3.39Å; L97-R100 PolarHBondContact O-N 3.42Å; Y98-R100 VanDerWaalsContact C-N 3.33Å; Y98-R100 PolarHBondContact O-N 3.32Å; R100-I104 HydrophobicContact CG-CD1 3.93Å; R100-I104 VanDerWaalsContact O-CD1 3.28Å; R100-I104 WeakPolarHBondContact O-CD1 3.36Å; R100-I104 VanDerWaalsContact O-CG1 3.23Å; R100-I104 WeakPolarHBondContact O-CG1 3.47Å; R100-I104 PolarHBondContact O-N 3.36Å
101	M	46.8	Very low	49.2	Very low	125 Å²	125	113.5 Å²	113.5	62%	0.616	52%	0.521	S	S	*	.	H	α-helix	trans	-64	-45.3	175.6	-75.1	-81.3	-76.8	0	0	111.8	L97 Y98 N103 I104 Q105	L97-M101 VanDerWaalsContact O-CB 3.31Å; L97-M101 WeakPolarHBondContact O-CB 3.41Å; L97-M101 WeakPolarHBondContact O-CG 3.49Å; L97-M101 PolarHBondContact O-N 3.37Å; Y98-M101 PolarHBondContact O-N 3.23Å; M101-N103 PolarHBondContact O-N 3.33Å; M101-I104 PolarHBondContact O-N 3.37Å; M101-Q105 PolarHBondContact O-N 3.15Å
102	R	50.6	Low	48	Very low	149 Å²	149	116.6 Å²	116.6	56%	0.562	54%	0.544	S	S	*	.	H	α-helix	trans	-60.7	-46	179.6	-163.9	174	-175.5	-176.5	0.1	111.5	Y98 I99 I104 Q105 I106	Y98-R102 PolarHBondContact O-N 3.35Å; I99-R102 PolarHBondContact O-N 3.21Å; R102-I104 VanDerWaalsContact C-N 3.3Å; R102-I104 PolarHBondContact O-N 3.05Å; R102-Q105 PolarHBondContact O-N 3.39Å; R102-I106 WeakPolarHBondContact O-CG1 3.46Å; R102-I106 PolarHBondContact O-N 3.22Å
103	N	51.3	Low	46.6	Very low	74 Å²	74	121.8 Å²	121.8	40%	0.396	56%	0.56	S	S	.	*	H	α-helix	trans	-63.6	-33.6	177.6	-69.6	3.5	0	0	0	112.9	I99 M101 Y107	I99-N103 PolarHBondContact O-N 3.49Å; I99-N103 VanDerWaalsContact O-N 3.17Å; M101-N103 PolarHBondContact O-N 3.33Å; N103-Y107 WeakPolarHBondContact O-CD2 3.48Å
104	I	48.6	Very low	45.1	Very low	61 Å²	61	127.9 Å²	127.9	31%	0.313	59%	0.588	S	S	.	*	H	α-helix	trans	-71.9	-30.1	177.9	-70	163.1	0	0	0	112.2	R100 M101 R102	R100-I104 HydrophobicContact CG-CD1 3.93Å; R100-I104 VanDerWaalsContact O-CD1 3.28Å; R100-I104 WeakPolarHBondContact O-CD1 3.36Å; R100-I104 VanDerWaalsContact O-CG1 3.23Å; R100-I104 WeakPolarHBondContact O-CG1 3.47Å; R100-I104 PolarHBondContact O-N 3.36Å; M101-I104 PolarHBondContact O-N 3.37Å; R102-I104 VanDerWaalsContact C-N 3.3Å; R102-I104 PolarHBondContact O-N 3.05Å
105	Q	38.5	Very low	43.9	Very low	136 Å²	136	130.4 Å²	130.4	64%	0.636	60%	0.598	S	S	*	*	H	α-helix	trans	-72.8	-40.1	175.2	-75.2	-172.8	-40.8	0	0	112.5	M101 R102 Y107 K108	M101-Q105 PolarHBondContact O-N 3.15Å; R102-Q105 PolarHBondContact O-N 3.39Å; Q105-Y107 VanDerWaalsContact C-N 3.32Å; Q105-Y107 PolarHBondContact O-N 2.89Å; Q105-K108 PolarHBondContact O-N 3.15Å
106	I	44.6	Very low	42.4	Very low	102 Å²	102	135 Å²	135	52%	0.523	62%	0.617	S	S	.	*	H	α-helix	trans	-58.2	-43.6	179.8	-66.6	165.3	0	0	0	111.1	R102 K108	R102-I106 WeakPolarHBondContact O-CG1 3.46Å; R102-I106 PolarHBondContact O-N 3.22Å; I106-K108 PolarHBondContact O-N 3.37Å; I106-K108 VanDerWaalsContact O-N 3.09Å
107	Y	36.9	Very low	41	Very low	212 Å²	212	134.5 Å²	134.5	83%	0.831	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-2	176.7	-85.7	-73.1	0	0	0	115.4	N103 Q105	N103-Y107 WeakPolarHBondContact O-CD2 3.48Å; Q105-Y107 VanDerWaalsContact C-N 3.32Å; Q105-Y107 PolarHBondContact O-N 2.89Å
108	K	35.6	Very low	39.8	Very low	178 Å²	178	140.4 Å²	140.4	77%	0.774	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.8	4.6	-173.1	-142.6	-180	-177.9	-177.1	0	115.3	Q105 I106	Q105-K108 PolarHBondContact O-N 3.15Å; I106-K108 PolarHBondContact O-N 3.37Å; I106-K108 VanDerWaalsContact O-N 3.09Å
109	F	35.9	Very low	38.5	Very low	179 Å²	179	144.6 Å²	144.6	79%	0.785	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.7	-17	-179	-101.5	-88.7	0	0	0	115.2
110	N	34.5	Very low	37	Very low	126 Å²	126	148.8 Å²	148.8	67%	0.674	69%	0.689	S	S	*	*	S	Bend	trans	-104.4	19.9	-161.8	-73.4	24.2	0	0	0	116.6
111	Y	28.3	Very low	35.5	Very low	222 Å²	222	152.9 Å²	152.9	87%	0.871	71%	0.712	S	S	*	*			trans	-137.4	116.2	174.6	-81.9	-76.8	0	0	0	113.4
112	P	32.4	Very low	34.5	Very low	122 Å²	122	154.9 Å²	154.9	79%	0.792	71%	0.713	S	S	*	*			trans	-78.5	177	166.9	33.9	-33.8	0	0	0	111.9
113	Y	29.1	Very low	33.6	Very low	217 Å²	217	154.6 Å²	154.6	85%	0.851	72%	0.722	S	S	*	*			trans	-61.8	133.7	-172.1	-84.5	-120.8	0	0	0	114.2
114	H	29.1	Very low	32.5	Very low	177 Å²	177	161.2 Å²	161.2	82%	0.819	75%	0.747	S	S	*	*			trans	-146.9	119.4	145	-109.5	-85.6	0	0	0	110.2
115	P	30.1	Very low	31.6	Very low	91 Å²	91	163.5 Å²	163.5	59%	0.591	76%	0.759	S	S	*	*			trans	-79.1	160.2	163.1	33	-31.5	0	0	0	110.8
116	H	29.4	Very low	31	Very low	185 Å²	185	168 Å²	168	86%	0.856	77%	0.77	S	S	*	*			trans	73.3	68.7	176.7	-52.3	-85.9	0	0	0	118
117	S	30.6	Very low	30.3	Very low	90 Å²	90	172.2 Å²	172.2	63%	0.629	78%	0.781	S	S	*	*			trans	-162.5	65	152.5	50.3	0	0	0	0	114.2	R119	S117-R119 PolarHBondContact O-N 2.99Å
118	D	27	Very low	30.1	Very low	182 Å²	182	168.9 Å²	168.9	97%	0.973	78%	0.776	S	S	*	*			trans	-71.8	61.2	174.8	-88.8	-18.7	0	0	0	113.1
119	R	28.3	Very low	30.2	Very low	231 Å²	231	163.7 Å²	163.7	87%	0.872	76%	0.76	S	S	*	*			trans	-157.7	69.5	171	-159.6	-176.5	-69.3	-165.5	1.7	113.8	S117	S117-R119 PolarHBondContact O-N 2.99Å
120	F	30.5	Very low	30.3	Very low	184 Å²	184	163.3 Å²	163.3	81%	0.807	76%	0.758	S	S	*	*			trans	-127.3	145.7	169.7	-100.6	-83.6	0	0	0	114.1
121	H	27.6	Very low	30.5	Very low	168 Å²	168	162 Å²	162	78%	0.778	75%	0.748	S	S	*	*			trans	-70.3	133.8	-169.4	-90.8	-131.5	0	0	0	114.6
122	W	26.6	Very low	31	Very low	167 Å²	167	155.2 Å²	155.2	63%	0.633	73%	0.727	S	S	*	*			trans	-122	17.5	173.5	-84.3	104.6	0	0	0	115.5	K124 I125 Y193	W122-K124 PolarHBondContact O-N 3.39Å; W122-I125 HydrophobicContact CE3-CD1 3.7Å; W122-I125 HydrophobicContact CE3-CG1 4.04Å; W122-I125 HydrophobicContact CZ3-CD1 3.72Å; W122-I125 HydrophobicContact CZ3-CG1 4.22Å; W122-Y193 PolarHBondContact O-OH 2.84Å
123	N	30.1	Very low	31.5	Very low	143 Å²	143	154.9 Å²	154.9	77%	0.765	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	6.7	-176.1	-93.2	-10.4	0	0	0	116.7
124	K	29.9	Very low	32.1	Very low	212 Å²	212	152.1 Å²	152.1	92%	0.922	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	-11	-179.8	-88	-177	174	177.1	0	116.2	W122 R126	W122-K124 PolarHBondContact O-N 3.39Å; K124-R126 VanDerWaalsContact C-N 3.31Å; K124-R126 PolarHBondContact O-N 3.12Å
125	I	28.5	Very low	32.9	Very low	110 Å²	110	150 Å²	150	56%	0.564	70%	0.695	S	S	*	*			trans	-86.3	68.2	178	-47.5	-176.8	0	0	0	111.3	W122	W122-I125 HydrophobicContact CE3-CD1 3.7Å; W122-I125 HydrophobicContact CE3-CG1 4.04Å; W122-I125 HydrophobicContact CZ3-CD1 3.72Å; W122-I125 HydrophobicContact CZ3-CG1 4.22Å
126	R	26.4	Very low	33.4	Very low	230 Å²	230	150.2 Å²	150.2	87%	0.868	69%	0.687	S	S	*	*			trans	-121.3	36.3	178.2	-101.1	-169.6	-179.7	-174.5	3.6	113.9	K124	K124-R126 VanDerWaalsContact C-N 3.31Å; K124-R126 PolarHBondContact O-N 3.12Å
127	Y	30.3	Very low	34.2	Very low	190 Å²	190	146.1 Å²	146.1	75%	0.745	67%	0.671	S	S	*	*			trans	-137.8	103.5	173.6	-103.2	-80.3	0	0	0	113.3
128	I	32.7	Very low	35	Very low	143 Å²	143	145.3 Å²	145.3	73%	0.733	67%	0.665	S	S	*	*			trans	-81.9	122	147.9	-63.5	177	0	0	0	105.5	K130	I128-K130 PolarHBondContact O-N 2.92Å
129	P	38.1	Very low	36	Very low	68 Å²	68	138.7 Å²	138.7	44%	0.442	63%	0.632	S	S	.	*			trans	-59.6	131.7	-175.7	-25.9	34.7	0	0	0	112.1	Q131 L132	P129-Q131 PolarHBondContact O-N 3.47Å; P129-L132 WeakPolarHBondContact O-CB 3.48Å; P129-L132 PolarHBondContact O-N 3.49Å
130	K	36.7	Very low	36.9	Very low	171 Å²	171	131 Å²	131	74%	0.743	61%	0.61	S	S	*	*	H	α-helix	trans	-55.2	-25.5	175.3	-70.2	-179.8	178.6	175.1	0	112.6	I128 L132 K134	I128-K130 PolarHBondContact O-N 2.92Å; K130-L132 VanDerWaalsContact C-N 3.34Å; K130-L132 PolarHBondContact O-N 2.98Å; K130-K134 PolarHBondContact O-N 3.22Å
131	Q	38.5	Very low	37.8	Very low	99 Å²	99	126 Å²	126	46%	0.463	60%	0.595	S	S	.	*	H	α-helix	trans	-61.7	-37	172.5	-61.4	-166.7	25	0	0	113.3	P129 L133 K134 W135	P129-Q131 PolarHBondContact O-N 3.47Å; Q131-L133 VanDerWaalsContact C-N 3.34Å; Q131-L133 PolarHBondContact O-N 3.49Å; Q131-K134 PolarHBondContact O-N 3.07Å; Q131-W135 PolarHBondContact O-N 2.97Å
132	L	38.4	Very low	38.8	Very low	79 Å²	79	123.6 Å²	123.6	41%	0.414	59%	0.587	S	S	.	*	H	α-helix	trans	-68	-36.5	-176.7	-135.2	167.3	0	0	0	111	P129 K130 F136	P129-L132 WeakPolarHBondContact O-CB 3.48Å; P129-L132 PolarHBondContact O-N 3.49Å; K130-L132 VanDerWaalsContact C-N 3.34Å; K130-L132 PolarHBondContact O-N 2.98Å; L132-F136 PolarHBondContact O-N 3.48Å
133	L	43.7	Very low	40	Very low	116 Å²	116	120.6 Å²	120.6	61%	0.607	58%	0.582	S	S	*	*	H	α-helix	trans	-70	-39.8	172.7	-168.3	69.6	0	0	0	112.2	Q131 F136 N137	Q131-L133 VanDerWaalsContact C-N 3.34Å; Q131-L133 PolarHBondContact O-N 3.49Å; L133-F136 PolarHBondContact O-N 3.22Å; L133-N137 PolarHBondContact O-N 3.01Å
134	K	42	Very low	41	Very low	159 Å²	159	120.6 Å²	120.6	69%	0.691	58%	0.576	S	S	*	*	H	α-helix	trans	-59.9	-47	172.4	-79.8	-167.2	171.7	-171.9	0	111.5	K130 Q131 F136 N137 S138	K130-K134 PolarHBondContact O-N 3.22Å; Q131-K134 PolarHBondContact O-N 3.07Å; K134-F136 PolarHBondContact O-N 3.08Å; K134-N137 PolarHBondContact O-N 3Å; K134-S138 PolarHBondContact O-N 3.45Å; K134-S138 PolarHBondContact O-OG 3.12Å
135	W	45.3	Very low	42.2	Very low	132 Å²	132	117.6 Å²	117.6	50%	0.5	56%	0.559	S	S	.	*	H	α-helix	trans	-59.3	-44.3	176.9	-177.4	87.1	0	0	0	112.1	Q131 N137 S138 V139 H179	Q131-W135 PolarHBondContact O-N 2.97Å; W135-N137 VanDerWaalsContact C-N 3.34Å; W135-N137 PolarHBondContact O-N 2.91Å; W135-S138 WeakPolarHBondContact O-CB 3.34Å; W135-S138 PolarHBondContact O-N 3.39Å; W135-V139 HydrophobicContact CD2-CG2 4.14Å; W135-V139 HydrophobicContact CE3-CG2 4.31Å; W135-V139 HydrophobicContact CH2-CG2 4.14Å; W135-V139 HydrophobicContact CZ2-CG2 3.96Å; W135-V139 HydrophobicContact CZ3-CG2 4.3Å; W135-V139 WeakPolarHBondContact O-CG2 3.3Å; W135-V139 PolarHBondContact O-N 2.93Å; W135-H179 AromaticContact CH2-NE2 4Å
136	F	41	Very low	43.4	Very low	96 Å²	96	114.9 Å²	114.9	42%	0.421	55%	0.548	S	S	.	.	H	α-helix	trans	-59.6	-43.5	176.3	-131.9	-82.3	0	0	0	112.2	L132 L133 K134 V139 V140	L132-F136 PolarHBondContact O-N 3.48Å; L133-F136 PolarHBondContact O-N 3.22Å; K134-F136 PolarHBondContact O-N 3.08Å; F136-V139 PolarHBondContact O-N 3.23Å; F136-V140 HydrophobicContact CD1-CG2 4.5Å; F136-V140 WeakPolarHBondContact O-CG2 3.39Å; F136-V140 PolarHBondContact O-N 3.07Å
137	N	45.8	Very low	44.7	Very low	98 Å²	98	108.4 Å²	108.4	52%	0.524	53%	0.527	S	S	.	.	H	α-helix	trans	-63.9	-41.4	175.7	-72.8	-10.6	0	0	0	112	L133 K134 W135 V139 V140 T141	L133-N137 PolarHBondContact O-N 3.01Å; K134-N137 PolarHBondContact O-N 3Å; W135-N137 VanDerWaalsContact C-N 3.34Å; W135-N137 PolarHBondContact O-N 2.91Å; N137-V139 PolarHBondContact O-N 2.74Å; N137-V140 PolarHBondContact O-N 3.22Å; N137-T141 PolarHBondContact O-N 2.71Å; N137-T141 PolarHBondContact O-OG1 3.39Å; N137-T141 VanDerWaalsContact O-OG1 3.12Å
138	S	47.3	Very low	46.2	Very low	73 Å²	73	104.3 Å²	104.3	51%	0.51	52%	0.518	S	S	.	.	H	α-helix	trans	-60	-42.4	175.7	-62.5	0	0	0	0	112.7	K134 W135 T141 L142	K134-S138 PolarHBondContact O-N 3.45Å; K134-S138 PolarHBondContact O-OG 3.12Å; W135-S138 WeakPolarHBondContact O-CB 3.34Å; W135-S138 PolarHBondContact O-N 3.39Å; S138-T141 WeakPolarHBondContact CA-OG1 3.48Å; S138-T141 PolarHBondContact O-N 3.23Å; S138-T141 PolarHBondContact O-OG1 3.28Å; S138-L142 PolarHBondContact O-N 3.02Å
139	V	48.4	Very low	47.3	Very low	44 Å²	44	101 Å²	101	27%	0.267	50%	0.501	S	S	.	.	H	α-helix	trans	-65.1	-40.9	175.3	174.5	0	0	0	0	111	W135 F136 N137 L142 I143	W135-V139 HydrophobicContact CD2-CG2 4.14Å; W135-V139 HydrophobicContact CE3-CG2 4.31Å; W135-V139 HydrophobicContact CH2-CG2 4.14Å; W135-V139 HydrophobicContact CZ2-CG2 3.96Å; W135-V139 HydrophobicContact CZ3-CG2 4.3Å; W135-V139 WeakPolarHBondContact O-CG2 3.3Å; W135-V139 PolarHBondContact O-N 2.93Å; F136-V139 PolarHBondContact O-N 3.23Å; N137-V139 PolarHBondContact O-N 2.74Å; V139-L142 WeakPolarHBondContact O-CB 3.46Å; V139-L142 PolarHBondContact O-N 3.39Å; V139-I143 HydrophobicContact CG1-CD1 3.96Å; V139-I143 WeakPolarHBondContact O-CG1 3.28Å; V139-I143 PolarHBondContact O-N 3.48Å
140	V	47.2	Very low	48.1	Very low	69 Å²	69	99.6 Å²	99.6	42%	0.418	49%	0.49	S	S	.	.	H	α-helix	trans	-65.4	-37.9	176.3	171	0	0	0	0	112.1	F136 N137 I143 K144	F136-V140 HydrophobicContact CD1-CG2 4.5Å; F136-V140 WeakPolarHBondContact O-CG2 3.39Å; F136-V140 PolarHBondContact O-N 3.07Å; N137-V140 PolarHBondContact O-N 3.22Å; V140-I143 PolarHBondContact O-N 3.13Å; V140-K144 PolarHBondContact O-N 3.16Å
141	T	49.7	Very low	49	Very low	80 Å²	80	96.6 Å²	96.6	49%	0.491	48%	0.478	S	S	.	.	H	α-helix	trans	-67.8	-35.6	172.1	41.6	0	0	0	0	112.8	N137 S138 K144 Y145	N137-T141 PolarHBondContact O-N 2.71Å; N137-T141 PolarHBondContact O-OG1 3.39Å; N137-T141 VanDerWaalsContact O-OG1 3.12Å; S138-T141 WeakPolarHBondContact CA-OG1 3.48Å; S138-T141 PolarHBondContact O-N 3.23Å; S138-T141 PolarHBondContact O-OG1 3.28Å; T141-K144 PolarHBondContact O-N 2.92Å; T141-Y145 PolarHBondContact O-N 3.22Å
142	L	49	Very low	49.7	Very low	116 Å²	116	98.5 Å²	98.5	61%	0.607	48%	0.482	S	S	*	.	H	α-helix	trans	-64.2	-42.5	175.6	-165.2	73.2	0	0	0	111.3	S138 V139 K144 Y145 T146	S138-L142 PolarHBondContact O-N 3.02Å; V139-L142 WeakPolarHBondContact O-CB 3.46Å; V139-L142 PolarHBondContact O-N 3.39Å; L142-K144 VanDerWaalsContact C-N 3.35Å; L142-K144 PolarHBondContact O-N 3.38Å; L142-Y145 PolarHBondContact O-N 3.36Å; L142-T146 PolarHBondContact O-N 3.2Å; L142-T146 PolarHBondContact O-OG1 3.21Å
143	I	50.6	Low	50.5	Low	104 Å²	104	97 Å²	97	53%	0.533	47%	0.471	S	S	.	.	H	α-helix	trans	-63.7	-37.6	175.1	-67.1	166.4	0	0	0	111.6	V139 V140 T146 H147	V139-I143 HydrophobicContact CG1-CD1 3.96Å; V139-I143 WeakPolarHBondContact O-CG1 3.28Å; V139-I143 PolarHBondContact O-N 3.48Å; V140-I143 PolarHBondContact O-N 3.13Å; I143-T146 PolarHBondContact O-OG1 3.41Å; I143-T146 VanDerWaalsContact O-OG1 3.08Å; I143-H147 WeakPolarHBondContact O-CB 3.48Å; I143-H147 PolarHBondContact O-N 3.43Å; I143-H147 VanDerWaalsContact O-N 3.12Å
144	K	50.8	Low	50.8	Low	144 Å²	144	95.7 Å²	95.7	63%	0.626	47%	0.465	S	S	*	.	H	α-helix	trans	-62.8	-43.6	171.2	-80.7	-170.4	169.6	-168.1	0	112.2	V140 T141 L142 H147 L148	V140-K144 PolarHBondContact O-N 3.16Å; T141-K144 PolarHBondContact O-N 2.92Å; L142-K144 VanDerWaalsContact C-N 3.35Å; L142-K144 PolarHBondContact O-N 3.38Å; K144-H147 PolarHBondContact O-N 3Å; K144-L148 PolarHBondContact O-N 3.12Å
145	Y	55.1	Low	51.5	Low	148 Å²	148	94.8 Å²	94.8	58%	0.58	47%	0.468	S	S	*	.	H	α-helix	trans	-65.6	-40.2	179.6	-102.3	-78.9	0	0	0	112.9	T141 L142 H147 L148 L149	T141-Y145 PolarHBondContact O-N 3.22Å; L142-Y145 PolarHBondContact O-N 3.36Å; Y145-H147 VanDerWaalsContact C-N 3.33Å; Y145-H147 PolarHBondContact O-N 2.94Å; Y145-L148 PolarHBondContact O-N 3.46Å; Y145-L149 PolarHBondContact O-N 3.28Å
146	T	54.5	Low	51.9	Low	53 Å²	53	93.9 Å²	93.9	33%	0.325	47%	0.469	S	S	.	.	H	α-helix	trans	-66.8	-35.1	174.3	55	0	0	0	0	112.1	L142 I143 L149 I150	L142-T146 PolarHBondContact O-N 3.2Å; L142-T146 PolarHBondContact O-OG1 3.21Å; I143-T146 PolarHBondContact O-OG1 3.41Å; I143-T146 VanDerWaalsContact O-OG1 3.08Å; T146-L149 PolarHBondContact O-N 3.43Å; T146-I150 VanDerWaalsContact O-CG1 3.29Å; T146-I150 WeakPolarHBondContact O-CG1 3.48Å; T146-I150 PolarHBondContact O-N 3.25Å
147	H	54.3	Low	52	Low	94 Å²	94	98.8 Å²	98.8	44%	0.435	49%	0.49	S	S	.	.	H	α-helix	trans	-67.4	-37.6	174.9	-159.2	-63.8	0	0	0	112.8	I143 K144 Y145 I150 Q151	I143-H147 WeakPolarHBondContact O-CB 3.48Å; I143-H147 PolarHBondContact O-N 3.43Å; I143-H147 VanDerWaalsContact O-N 3.12Å; K144-H147 PolarHBondContact O-N 3Å; Y145-H147 VanDerWaalsContact C-N 3.33Å; Y145-H147 PolarHBondContact O-N 2.94Å; H147-I150 PolarHBondContact O-N 2.99Å; H147-Q151 PolarHBondContact O-N 3.1Å; H147-Q151 VanDerWaalsContact O-N 3.09Å
148	L	61.3	Low	52.4	Low	104 Å²	104	97 Å²	97	55%	0.545	48%	0.48	S	S	.	.	H	α-helix	trans	-66	-42.6	172.7	-76.7	165.8	0	0	0	111.9	K144 Y145 I150 Q151 Y152	K144-L148 PolarHBondContact O-N 3.12Å; Y145-L148 PolarHBondContact O-N 3.46Å; L148-I150 VanDerWaalsContact C-N 3.33Å; L148-I150 PolarHBondContact O-N 3.45Å; L148-Q151 PolarHBondContact O-N 2.96Å; L148-Y152 PolarHBondContact O-N 3.05Å
149	L	55.5	Low	52.6	Low	73 Å²	73	100.6 Å²	100.6	38%	0.382	49%	0.493	S	S	.	.	H	α-helix	trans	-61.1	-39.7	173.8	-85.1	162.2	0	0	0	112.3	Y145 T146 Y152 Y153	Y145-L149 PolarHBondContact O-N 3.28Å; T146-L149 PolarHBondContact O-N 3.43Å; L149-Y152 PolarHBondContact O-N 3.17Å; L149-Y153 HydrophobicContact CD2-CE2 4.35Å; L149-Y153 WeakPolarHBondContact O-CD2 3.42Å; L149-Y153 PolarHBondContact O-N 3.35Å
150	I	55.1	Low	52.9	Low	40 Å²	40	99.8 Å²	99.8	21%	0.205	49%	0.49	C	S	.	.	H	α-helix	trans	-63.6	-41.8	174.8	-71.7	163.5	0	0	0	111.2	T146 H147 L148 N154 I164 T168	T146-I150 VanDerWaalsContact O-CG1 3.29Å; T146-I150 WeakPolarHBondContact O-CG1 3.48Å; T146-I150 PolarHBondContact O-N 3.25Å; H147-I150 PolarHBondContact O-N 2.99Å; L148-I150 VanDerWaalsContact C-N 3.33Å; L148-I150 PolarHBondContact O-N 3.45Å; I150-N154 WeakPolarHBondContact O-CB 3.48Å; I150-N154 VanDerWaalsContact O-CG 3.25Å; I150-N154 PolarHBondContact O-N 3.4Å; I150-I164 HydrophobicContact CD1-CG2 4.3Å; I150-I164 HydrophobicContact CG1-CG2 3.7Å; I150-T168 HydrophobicContact CD1-CG2 4.34Å
151	Q	54.8	Low	53.2	Low	107 Å²	107	98.4 Å²	98.4	50%	0.5	48%	0.48	S	S	.	.	H	α-helix	trans	-63.5	-43.1	174.2	-75.3	-178.3	-90.7	0	0	112.3	H147 L148 N154 N155	H147-Q151 PolarHBondContact O-N 3.1Å; H147-Q151 VanDerWaalsContact O-N 3.09Å; L148-Q151 PolarHBondContact O-N 2.96Å; Q151-N154 PolarHBondContact O-N 3.5Å; Q151-N155 PolarHBondContact O-N 2.89Å
152	Y	54.7	Low	53.2	Low	139 Å²	139	103.1 Å²	103.1	55%	0.545	49%	0.493	S	S	.	.	H	α-helix	trans	-62	-45.7	178	-172.4	-93.4	0	0	0	112.2	L148 L149 N155	L148-Y152 PolarHBondContact O-N 3.05Å; L149-Y152 PolarHBondContact O-N 3.17Å; Y152-N155 PolarHBondContact O-N 3Å
153	Y	55.3	Low	53.4	Low	47 Å²	47	103.9 Å²	103.9	18%	0.184	49%	0.489	C	S	.	.	H	α-helix	trans	-69.4	-36.3	178.9	-91	-98.3	0	0	0	113.1	L149 N155 H156 I158 I164	L149-Y153 HydrophobicContact CD2-CE2 4.35Å; L149-Y153 WeakPolarHBondContact O-CD2 3.42Å; L149-Y153 PolarHBondContact O-N 3.35Å; Y153-N155 VanDerWaalsContact C-N 3.26Å; Y153-N155 PolarHBondContact O-N 3.03Å; Y153-H156 PolarHBondContact O-N 3.26Å; Y153-H156 VanDerWaalsContact O-N 3.11Å; Y153-I158 HydrophobicContact CD1-CB 4.01Å; Y153-I158 HydrophobicContact CD1-CD1 3.9Å; Y153-I158 HydrophobicContact CD1-CG1 4.41Å; Y153-I158 HydrophobicContact CD1-CG2 4.31Å; Y153-I158 HydrophobicContact CE1-CB 4.34Å; Y153-I158 HydrophobicContact CE1-CD1 3.78Å; Y153-I158 HydrophobicContact CE1-CG2 4.2Å; Y153-I164 HydrophobicContact CD1-CD1 4Å; Y153-I164 HydrophobicContact CD2-CD1 4.32Å; Y153-I164 HydrophobicContact CE1-CD1 4.4Å; Y153-I164 HydrophobicContact CG-CD1 3.97Å
154	N	50	Low	53.6	Low	89 Å²	89	101.1 Å²	101.1	48%	0.476	48%	0.475	S	S	.	.	H	α-helix	trans	-58.8	-35.7	175.8	-82.7	-6.1	0	0	0	112.6	I150 Q151 H156	I150-N154 WeakPolarHBondContact O-CB 3.48Å; I150-N154 VanDerWaalsContact O-CG 3.25Å; I150-N154 PolarHBondContact O-N 3.4Å; Q151-N154 PolarHBondContact O-N 3.5Å; N154-H156 PolarHBondContact O-N 3.35Å
155	N	55.1	Low	53.9	Low	140 Å²	140	98.7 Å²	98.7	75%	0.749	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-16.8	178.6	-75.8	2.9	0	0	0	113.9	Q151 Y152 Y153	Q151-N155 PolarHBondContact O-N 2.89Å; Y152-N155 PolarHBondContact O-N 3Å; Y153-N155 VanDerWaalsContact C-N 3.26Å; Y153-N155 PolarHBondContact O-N 3.03Å
156	H	54.1	Low	53.8	Low	114 Å²	114	97 Å²	97	53%	0.528	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	8.8	-171.9	-83.4	-67.9	0	0	0	115.8	Y153 N154 I158	Y153-H156 PolarHBondContact O-N 3.26Å; Y153-H156 VanDerWaalsContact O-N 3.11Å; N154-H156 PolarHBondContact O-N 3.35Å; H156-I158 HydrophobicContact CB-CD1 3.96Å; H156-I158 HydrophobicContact CB-CG1 3.99Å; H156-I158 WeakPolarHBondContact O-CG1 3.3Å; H156-I158 PolarHBondContact O-N 2.92Å
157	K	43.7	Very low	53.5	Low	198 Å²	198	96.6 Å²	96.6	86%	0.861	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	49.6	178	-68.3	-173.5	174.2	-178.6	0	114.1
158	I	53.8	Low	53.4	Low	60 Å²	60	93.7 Å²	93.7	31%	0.308	45%	0.449	S	S	.	.			trans	-103.4	124.4	-177.9	-52.3	179.3	0	0	0	110.7	Y153 H156 C160 I161	Y153-I158 HydrophobicContact CD1-CB 4.01Å; Y153-I158 HydrophobicContact CD1-CD1 3.9Å; Y153-I158 HydrophobicContact CD1-CG1 4.41Å; Y153-I158 HydrophobicContact CD1-CG2 4.31Å; Y153-I158 HydrophobicContact CE1-CB 4.34Å; Y153-I158 HydrophobicContact CE1-CD1 3.78Å; Y153-I158 HydrophobicContact CE1-CG2 4.2Å; H156-I158 HydrophobicContact CB-CD1 3.96Å; H156-I158 HydrophobicContact CB-CG1 3.99Å; H156-I158 WeakPolarHBondContact O-CG1 3.3Å; H156-I158 PolarHBondContact O-N 2.92Å; I158-C160 HydrophobicContact CG2-CB 4.19Å; I158-C160 PolarHBondContact O-N 3.17Å; I158-I161 WeakPolarHBondContact O-CB 3.49Å; I158-I161 WeakPolarHBondContact O-CD1 3.43Å; I158-I161 WeakPolarHBondContact O-CG1 3.35Å; I158-I161 PolarHBondContact O-N 2.87Å
159	D	52.8	Low	52.8	Low	149 Å²	149	93.3 Å²	93.3	80%	0.797	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-21.7	-176.4	-66.9	-65.5	0	0	0	115.2	I161 K162	D159-I161 PolarHBondContact O-N 2.86Å; D159-K162 PolarHBondContact O-N 3.37Å; D159-K162 VanDerWaalsContact O-N 3.09Å
160	C	53	Low	52.5	Low	28 Å²	28	92.3 Å²	92.3	19%	0.189	44%	0.44	C	S	.	.	H	α-helix	trans	-56.9	-15.1	170.5	-68.4	0	0	0	0	113.2	C75 I158 K162 Y163 I164	C75-C160 WeakPolarHBondContact CB-SG 3.3Å; C75-C160 WeakPolarHBondContact SG-CB 3.29Å; C75-C160 CovalentContact SG-SG 2.06Å; C75-C160 PolarHBondContact SG-SG 2.91Å; I158-C160 HydrophobicContact CG2-CB 4.19Å; I158-C160 PolarHBondContact O-N 3.17Å; C160-K162 VanDerWaalsContact C-N 3.28Å; C160-K162 PolarHBondContact O-N 3.14Å; C160-Y163 WeakPolarHBondContact O-CB 3.26Å; C160-Y163 PolarHBondContact O-N 3.31Å; C160-Y163 VanDerWaalsContact O-N 3.14Å; C160-I164 VanDerWaalsContact O-CG1 3.31Å; C160-I164 WeakPolarHBondContact O-CG1 3.46Å; C160-I164 PolarHBondContact O-N 2.88Å
161	I	53.9	Low	51.9	Low	40 Å²	40	92.7 Å²	92.7	21%	0.205	44%	0.444	C	S	.	.	H	α-helix	trans	-49.8	-45.9	168.3	-70.8	161.1	0	0	0	111.6	I158 D159 Y163 I164 I165	I158-I161 WeakPolarHBondContact O-CB 3.49Å; I158-I161 WeakPolarHBondContact O-CD1 3.43Å; I158-I161 WeakPolarHBondContact O-CG1 3.35Å; I158-I161 PolarHBondContact O-N 2.87Å; D159-I161 PolarHBondContact O-N 2.86Å; I161-Y163 VanDerWaalsContact C-N 3.27Å; I161-Y163 PolarHBondContact O-N 2.88Å; I161-I164 PolarHBondContact O-N 3.1Å; I161-I165 HydrophobicContact CG2-CD1 3.71Å; I161-I165 HydrophobicContact CG2-CG1 4.4Å; I161-I165 WeakPolarHBondContact O-CG1 3.49Å; I161-I165 PolarHBondContact O-N 3.41Å
162	K	49.3	Very low	51.4	Low	178 Å²	178	91.8 Å²	91.8	77%	0.774	44%	0.442	S	S	*	.	H	α-helix	trans	-64.3	-35.3	-177.3	-156.1	173.9	-173.3	177.8	0	111.4	D159 C160 H166	D159-K162 PolarHBondContact O-N 3.37Å; D159-K162 VanDerWaalsContact O-N 3.09Å; C160-K162 VanDerWaalsContact C-N 3.28Å; C160-K162 PolarHBondContact O-N 3.14Å; K162-H166 PolarHBondContact O-N 2.96Å
163	Y	54.5	Low	50.6	Low	133 Å²	133	87.1 Å²	87.1	52%	0.522	43%	0.429	S	S	.	.	H	α-helix	trans	-71.8	-45	172	-96.1	-82.1	0	0	0	112.8	C160 I161 I165 H166 M167	C160-Y163 WeakPolarHBondContact O-CB 3.26Å; C160-Y163 PolarHBondContact O-N 3.31Å; C160-Y163 VanDerWaalsContact O-N 3.14Å; I161-Y163 VanDerWaalsContact C-N 3.27Å; I161-Y163 PolarHBondContact O-N 2.88Å; Y163-I165 VanDerWaalsContact C-N 3.29Å; Y163-I165 PolarHBondContact O-N 3.49Å; Y163-H166 PolarHBondContact O-N 3.16Å; Y163-H166 VanDerWaalsContact O-N 3.11Å; Y163-M167 VanDerWaalsContact O-CG 3.3Å; Y163-M167 WeakPolarHBondContact O-CG 3.46Å; Y163-M167 PolarHBondContact O-N 3.18Å
164	I	55.4	Low	49.9	Very low	46 Å²	46	87 Å²	87	24%	0.236	44%	0.435	C	S	.	.	H	α-helix	trans	-60.7	-39.6	179.5	-67.7	163.3	0	0	0	110.8	I150 Y153 C160 I161 T168	I150-I164 HydrophobicContact CD1-CG2 4.3Å; I150-I164 HydrophobicContact CG1-CG2 3.7Å; Y153-I164 HydrophobicContact CD1-CD1 4Å; Y153-I164 HydrophobicContact CD2-CD1 4.32Å; Y153-I164 HydrophobicContact CE1-CD1 4.4Å; Y153-I164 HydrophobicContact CG-CD1 3.97Å; C160-I164 VanDerWaalsContact O-CG1 3.31Å; C160-I164 WeakPolarHBondContact O-CG1 3.46Å; C160-I164 PolarHBondContact O-N 2.88Å; I161-I164 PolarHBondContact O-N 3.1Å; I164-T168 WeakPolarHBondContact O-CG2 3.49Å; I164-T168 PolarHBondContact O-N 3.08Å; I164-T168 PolarHBondContact O-OG1 3.32Å
165	I	56.2	Low	49.4	Very low	92 Å²	92	86.4 Å²	86.4	47%	0.472	43%	0.431	S	S	.	.	H	α-helix	trans	-63.4	-46.1	173.7	-67.6	169.2	0	0	0	110.6	I161 Y163 T168 F169	I161-I165 HydrophobicContact CG2-CD1 3.71Å; I161-I165 HydrophobicContact CG2-CG1 4.4Å; I161-I165 WeakPolarHBondContact O-CG1 3.49Å; I161-I165 PolarHBondContact O-N 3.41Å; Y163-I165 VanDerWaalsContact C-N 3.29Å; Y163-I165 PolarHBondContact O-N 3.49Å; I165-T168 PolarHBondContact O-N 3.19Å; I165-T168 PolarHBondContact O-OG1 3.46Å; I165-T168 VanDerWaalsContact O-OG1 3.08Å; I165-F169 WeakPolarHBondContact O-CB 3.46Å; I165-F169 PolarHBondContact O-N 2.95Å
166	H	52.5	Low	49	Very low	114 Å²	114	81.7 Å²	81.7	53%	0.528	41%	0.409	S	S	.	.	H	α-helix	trans	-68.1	-35.9	179.4	-165.4	-95	0	0	0	113.4	K162 Y163 T170	K162-H166 PolarHBondContact O-N 2.96Å; Y163-H166 PolarHBondContact O-N 3.16Å; Y163-H166 VanDerWaalsContact O-N 3.11Å; H166-T170 WeakPolarHBondContact O-CG2 3.36Å; H166-T170 PolarHBondContact O-N 3.15Å; H166-T170 PolarHBondContact O-OG1 3.04Å
167	M	48.8	Very low	48.4	Very low	43 Å²	43	85.2 Å²	85.2	21%	0.212	42%	0.418	C	S	.	.	H	α-helix	trans	-65.8	-49.4	174	-67.8	-57.7	-162.3	0	0	111.2	K79 Y82 Y163 F169 T170 V171	K79-M167 HydrophobicContact CG-CE 4.29Å; Y82-M167 HydrophobicContact CD1-CE 3.95Å; Y82-M167 HydrophobicContact CD1-SD 3.76Å; Y82-M167 HydrophobicContact CE1-CE 4.09Å; Y82-M167 HydrophobicContact CE1-CG 4.38Å; Y82-M167 HydrophobicContact CE1-SD 3.34Å; Y82-M167 WeakPolarHBondContact CE1-SD 3.47Å; Y163-M167 VanDerWaalsContact O-CG 3.3Å; Y163-M167 WeakPolarHBondContact O-CG 3.46Å; Y163-M167 PolarHBondContact O-N 3.18Å; M167-F169 VanDerWaalsContact C-N 3.32Å; M167-F169 PolarHBondContact O-N 3.24Å; M167-T170 PolarHBondContact O-N 3.06Å; M167-T170 PolarHBondContact O-OG1 3.38Å; M167-V171 WeakPolarHBondContact O-CG2 3.4Å; M167-V171 PolarHBondContact O-N 3.16Å
168	T	52.7	Low	48.5	Very low	33 Å²	33	78.7 Å²	78.7	20%	0.202	39%	0.392	C	S	.	.	H	α-helix	trans	-63.6	-37.6	177.4	49.8	0	0	0	0	112.2	I150 I164 I165 V171 I172	I150-T168 HydrophobicContact CD1-CG2 4.34Å; I164-T168 WeakPolarHBondContact O-CG2 3.49Å; I164-T168 PolarHBondContact O-N 3.08Å; I164-T168 PolarHBondContact O-OG1 3.32Å; I165-T168 PolarHBondContact O-N 3.19Å; I165-T168 PolarHBondContact O-OG1 3.46Å; I165-T168 VanDerWaalsContact O-OG1 3.08Å; T168-V171 PolarHBondContact O-N 3.41Å; T168-I172 WeakPolarHBondContact O-CB 3.37Å; T168-I172 WeakPolarHBondContact O-CD1 3.19Å; T168-I172 VanDerWaalsContact O-CG1 3.24Å; T168-I172 WeakPolarHBondContact O-CG1 3.37Å; T168-I172 PolarHBondContact O-N 3Å
169	F	47.9	Very low	48	Very low	97 Å²	97	78.1 Å²	78.1	43%	0.425	39%	0.388	S	S	.	.	H	α-helix	trans	-61.5	-41.6	173.9	-170.1	-94	0	0	0	112.8	I165 M167 I172 S173 Y223	I165-F169 WeakPolarHBondContact O-CB 3.46Å; I165-F169 PolarHBondContact O-N 2.95Å; M167-F169 VanDerWaalsContact C-N 3.32Å; M167-F169 PolarHBondContact O-N 3.24Å; F169-I172 PolarHBondContact O-N 3.49Å; F169-S173 WeakPolarHBondContact O-CB 3.46Å; F169-S173 PolarHBondContact O-N 2.98Å; F169-Y223 HydrophobicContact CE1-CE2 4.47Å; F169-Y223 AromaticContact CE2-CE2 3.82Å; F169-Y223 HydrophobicContact CE2-CE2 3.82Å; F169-Y223 AromaticContact CZ-CE2 3.61Å; F169-Y223 HydrophobicContact CZ-CE2 3.61Å
170	T	48.8	Very low	47.4	Very low	52 Å²	52	74.1 Å²	74.1	32%	0.319	37%	0.366	S	S	.	.	H	α-helix	trans	-72.4	-34.4	178.8	46.1	0	0	0	0	113.2	H166 M167 S174	H166-T170 WeakPolarHBondContact O-CG2 3.36Å; H166-T170 PolarHBondContact O-N 3.15Å; H166-T170 PolarHBondContact O-OG1 3.04Å; M167-T170 PolarHBondContact O-N 3.06Å; M167-T170 PolarHBondContact O-OG1 3.38Å; T170-S174 WeakPolarHBondContact O-CB 3.49Å; T170-S174 PolarHBondContact O-N 3.05Å; T170-S174 VanDerWaalsContact O-N 3.1Å; T170-S174 PolarHBondContact O-OG 3.38Å
171	V	43.6	Very low	47	Very low	48 Å²	48	78.1 Å²	78.1	29%	0.291	39%	0.385	S	S	.	.	H	α-helix	trans	-61.6	-52.5	168.6	177.5	0	0	0	0	111	Y82 M167 T168 S173 S174 I175	Y82-V171 HydrophobicContact CE2-CG2 3.68Å; Y82-V171 WeakPolarHBondContact OH-CG2 3.34Å; M167-V171 WeakPolarHBondContact O-CG2 3.4Å; M167-V171 PolarHBondContact O-N 3.16Å; T168-V171 PolarHBondContact O-N 3.41Å; V171-S173 VanDerWaalsContact C-N 3.31Å; V171-S173 PolarHBondContact O-N 3.29Å; V171-S174 PolarHBondContact O-N 3.38Å; V171-S174 PolarHBondContact O-OG 3.05Å; V171-I175 HydrophobicContact CG1-CD1 3.58Å; V171-I175 HydrophobicContact CG1-CG1 4.28Å; V171-I175 WeakPolarHBondContact O-CG1 3.32Å; V171-I175 PolarHBondContact O-N 2.91Å
172	I	43.9	Very low	46.3	Very low	88 Å²	88	78.2 Å²	78.2	45%	0.451	38%	0.384	S	S	.	.	H	α-helix	trans	-65	-37.4	-175.8	-66.3	165.7	0	0	0	111	T168 F169 S176	T168-I172 WeakPolarHBondContact O-CB 3.37Å; T168-I172 WeakPolarHBondContact O-CD1 3.19Å; T168-I172 VanDerWaalsContact O-CG1 3.24Å; T168-I172 WeakPolarHBondContact O-CG1 3.37Å; T168-I172 PolarHBondContact O-N 3Å; F169-I172 PolarHBondContact O-N 3.49Å; I172-S176 VanDerWaalsContact O-CB 3.22Å; I172-S176 WeakPolarHBondContact O-CB 3.38Å; I172-S176 PolarHBondContact O-N 3.08Å; I172-S176 PolarHBondContact O-OG 3.49Å
173	S	37.5	Very low	46	Very low	40 Å²	40	73.9 Å²	73.9	28%	0.28	37%	0.368	S	S	.	.	H	α-helix	trans	-61.9	-49.1	174.6	-172.5	0	0	0	0	112.4	F169 V171 S176 R177 Y223	F169-S173 WeakPolarHBondContact O-CB 3.46Å; F169-S173 PolarHBondContact O-N 2.98Å; V171-S173 VanDerWaalsContact C-N 3.31Å; V171-S173 PolarHBondContact O-N 3.29Å; S173-S176 PolarHBondContact O-OG 3.1Å; S173-S176 VanDerWaalsContact O-OG 3.06Å; S173-R177 PolarHBondContact O-N 3.46Å; S173-Y223 PolarHBondContact OG-OH 2.92Å
174	S	40.5	Very low	45.5	Very low	44 Å²	44	70.7 Å²	70.7	31%	0.308	37%	0.366	S	S	.	.	H	α-helix	trans	-69.6	-41.4	-178.2	54.8	0	0	0	0	113.3	T170 V171	T170-S174 WeakPolarHBondContact O-CB 3.49Å; T170-S174 PolarHBondContact O-N 3.05Å; T170-S174 VanDerWaalsContact O-N 3.1Å; T170-S174 PolarHBondContact O-OG 3.38Å; V171-S174 PolarHBondContact O-N 3.38Å; V171-S174 PolarHBondContact O-OG 3.05Å
175	I	40.3	Very low	45.1	Very low	78 Å²	78	70.9 Å²	70.9	40%	0.4	37%	0.371	S	S	.	.	H	α-helix	trans	-63.3	-49	175.4	-67.1	178.4	0	0	0	110.6	V171 R177 H179	V171-I175 HydrophobicContact CG1-CD1 3.58Å; V171-I175 HydrophobicContact CG1-CG1 4.28Å; V171-I175 WeakPolarHBondContact O-CG1 3.32Å; V171-I175 PolarHBondContact O-N 2.91Å; I175-R177 PolarHBondContact O-N 3.16Å; I175-H179 WeakPolarHBondContact O-CB 3.38Å; I175-H179 PolarHBondContact O-CD2 3.38Å; I175-H179 VanDerWaalsContact O-CD2 3.32Å; I175-H179 PolarHBondContact O-N 3.38Å
176	S	45.1	Very low	44.4	Very low	41 Å²	41	68.6 Å²	68.6	29%	0.287	36%	0.359	S	S	.	.	H	α-helix	trans	-62.7	-43	-173.5	59.1	0	0	0	0	113.4	I172 S173 H179 L180	I172-S176 VanDerWaalsContact O-CB 3.22Å; I172-S176 WeakPolarHBondContact O-CB 3.38Å; I172-S176 PolarHBondContact O-N 3.08Å; I172-S176 PolarHBondContact O-OG 3.49Å; S173-S176 PolarHBondContact O-OG 3.1Å; S173-S176 VanDerWaalsContact O-OG 3.06Å; S176-H179 PolarHBondContact O-N 3.09Å; S176-L180 WeakPolarHBondContact O-CB 3.34Å; S176-L180 PolarHBondContact O-N 2.8Å
177	R	42.4	Very low	43.8	Very low	187 Å²	187	65.5 Å²	65.5	71%	0.706	35%	0.346	S	S	*	.	H	α-helix	trans	-64.8	-45.8	-178	-139.3	176.3	-166.7	-177.2	3.4	111.9	S173 I175 L180 I181	S173-R177 PolarHBondContact O-N 3.46Å; I175-R177 PolarHBondContact O-N 3.16Å; R177-L180 PolarHBondContact O-N 3.01Å; R177-I181 WeakPolarHBondContact O-CG1 3.46Å; R177-I181 PolarHBondContact O-N 3.34Å
178	N	44.9	Very low	43.6	Very low	61 Å²	61	68.2 Å²	68.2	33%	0.326	36%	0.361	S	S	.	.	H	α-helix	trans	-72	-38	179	-73.6	-9.1	0	0	0	112.2	F93 I181 F182	F93-N178 HydrophobicContact CE1-CB 4.08Å; F93-N178 HydrophobicContact CZ-CB 4.4Å; N178-I181 PolarHBondContact O-N 3.47Å; N178-F182 VanDerWaalsContact O-CB 3.31Å; N178-F182 WeakPolarHBondContact O-CB 3.47Å; N178-F182 PolarHBondContact O-N 2.93Å
179	H	43.6	Very low	43.3	Very low	48 Å²	48	71.1 Å²	71.1	22%	0.222	37%	0.373	C	S	.	.	H	α-helix	trans	-65.3	-37.1	173.3	-87.9	-102.1	0	0	0	112.6	W135 I175 S176 F182 I183	W135-H179 AromaticContact CH2-NE2 4Å; I175-H179 WeakPolarHBondContact O-CB 3.38Å; I175-H179 PolarHBondContact O-CD2 3.38Å; I175-H179 VanDerWaalsContact O-CD2 3.32Å; I175-H179 PolarHBondContact O-N 3.38Å; S176-H179 PolarHBondContact O-N 3.09Å; H179-F182 PolarHBondContact O-N 3.03Å; H179-I183 HydrophobicContact CB-CD1 4.47Å; H179-I183 VanDerWaalsContact O-CB 3.22Å; H179-I183 WeakPolarHBondContact O-CB 3.39Å; H179-I183 WeakPolarHBondContact O-CD1 3.42Å; H179-I183 WeakPolarHBondContact O-CG1 3.41Å; H179-I183 PolarHBondContact O-N 2.9Å
180	L	41.1	Very low	42.8	Very low	65 Å²	65	69 Å²	69	34%	0.34	37%	0.369	S	S	.	.	H	α-helix	trans	-63.5	-41.4	174.7	-92.4	157	0	0	0	112.2	S176 R177 S184	S176-L180 WeakPolarHBondContact O-CB 3.34Å; S176-L180 PolarHBondContact O-N 2.8Å; R177-L180 PolarHBondContact O-N 3.01Å; L180-S184 WeakPolarHBondContact O-CB 3.4Å; L180-S184 PolarHBondContact O-N 3.33Å
181	I	43.4	Very low	42.3	Very low	113 Å²	113	72 Å²	72	58%	0.579	38%	0.378	S	S	*	.	H	α-helix	trans	-66	-43.3	175	-65.4	165.8	0	0	0	110.8	R177 N178 S184 S185	R177-I181 WeakPolarHBondContact O-CG1 3.46Å; R177-I181 PolarHBondContact O-N 3.34Å; N178-I181 PolarHBondContact O-N 3.47Å; I181-S184 WeakPolarHBondContact O-CB 3.39Å; I181-S184 PolarHBondContact O-N 2.98Å; I181-S185 WeakPolarHBondContact O-CB 3.25Å; I181-S185 PolarHBondContact O-N 3.39Å
182	F	40	Very low	42.2	Very low	42 Å²	42	76.2 Å²	76.2	18%	0.184	40%	0.399	C	S	.	.	H	α-helix	trans	-67.1	-43.3	179	-176	-108.9	0	0	0	112.8	Y96 L97 N178 H179 S185 I186	Y96-F182 HydrophobicContact CE1-CE2 4.16Å; Y96-F182 AromaticContact CE1-CZ 3.84Å; Y96-F182 HydrophobicContact CE1-CZ 3.84Å; L97-F182 HydrophobicContact CD2-CD2 3.71Å; L97-F182 HydrophobicContact CD2-CE2 3.82Å; N178-F182 VanDerWaalsContact O-CB 3.31Å; N178-F182 WeakPolarHBondContact O-CB 3.47Å; N178-F182 PolarHBondContact O-N 2.93Å; H179-F182 PolarHBondContact O-N 3.03Å; F182-S185 WeakPolarHBondContact O-CB 3.41Å; F182-S185 PolarHBondContact O-N 3.09Å; F182-I186 HydrophobicContact CD1-CD1 3.93Å; F182-I186 HydrophobicContact CE1-CD1 3.42Å; F182-I186 VanDerWaalsContact CE1-CD1 3.42Å; F182-I186 HydrophobicContact CE2-CD1 4.19Å; F182-I186 HydrophobicContact CZ-CD1 3.57Å; F182-I186 WeakPolarHBondContact O-CG1 3.47Å; F182-I186 PolarHBondContact O-N 3.44Å
183	I	42.2	Very low	41.9	Very low	87 Å²	87	78.4 Å²	78.4	45%	0.446	40%	0.403	S	S	.	.	H	α-helix	trans	-64.2	-43.7	173.9	-70.9	165.9	0	0	0	109.8	H179 S185 I186 L187	H179-I183 HydrophobicContact CB-CD1 4.47Å; H179-I183 VanDerWaalsContact O-CB 3.22Å; H179-I183 WeakPolarHBondContact O-CB 3.39Å; H179-I183 WeakPolarHBondContact O-CD1 3.42Å; H179-I183 WeakPolarHBondContact O-CG1 3.41Å; H179-I183 PolarHBondContact O-N 2.9Å; I183-S185 VanDerWaalsContact C-N 3.33Å; I183-S185 PolarHBondContact O-N 3.28Å; I183-I186 PolarHBondContact O-N 3.49Å; I183-L187 HydrophobicContact CG2-CD1 3.66Å; I183-L187 HydrophobicContact CG2-CG 4.05Å; I183-L187 WeakPolarHBondContact O-CB 3.44Å; I183-L187 WeakPolarHBondContact O-CG 3.43Å; I183-L187 PolarHBondContact O-N 2.92Å
184	S	44.6	Very low	42.1	Very low	66 Å²	66	78.9 Å²	78.9	46%	0.462	40%	0.401	S	S	.	.	H	α-helix	trans	-56.7	-45.5	172.8	-177.8	0	0	0	0	111.7	L180 I181 L187 N188	L180-S184 WeakPolarHBondContact O-CB 3.4Å; L180-S184 PolarHBondContact O-N 3.33Å; I181-S184 WeakPolarHBondContact O-CB 3.39Å; I181-S184 PolarHBondContact O-N 2.98Å; S184-L187 PolarHBondContact O-N 2.88Å; S184-N188 WeakPolarHBondContact O-CB 3.39Å; S184-N188 PolarHBondContact O-N 2.89Å
185	S	46.4	Very low	42.2	Very low	50 Å²	50	83.6 Å²	83.6	35%	0.35	42%	0.422	S	S	.	.	H	α-helix	trans	-60.8	-47.5	176.2	-168.7	0	0	0	0	112.3	I181 F182 I183 N188 Q189	I181-S185 WeakPolarHBondContact O-CB 3.25Å; I181-S185 PolarHBondContact O-N 3.39Å; F182-S185 WeakPolarHBondContact O-CB 3.41Å; F182-S185 PolarHBondContact O-N 3.09Å; I183-S185 VanDerWaalsContact C-N 3.33Å; I183-S185 PolarHBondContact O-N 3.28Å; S185-N188 CarbonylContact O-C 3.59Å; S185-N188 PolarHBondContact O-N 3.2Å; S185-Q189 WeakPolarHBondContact O-CG 3.48Å; S185-Q189 PolarHBondContact O-N 3.45Å
186	I	41.3	Very low	42.3	Very low	44 Å²	44	87.8 Å²	87.8	23%	0.226	45%	0.445	C	S	.	.	H	α-helix	trans	-65.8	-43.4	178	-71	178.6	0	0	0	112	F182 I183 N188 Q189 C190	F182-I186 HydrophobicContact CD1-CD1 3.93Å; F182-I186 HydrophobicContact CE1-CD1 3.42Å; F182-I186 VanDerWaalsContact CE1-CD1 3.42Å; F182-I186 HydrophobicContact CE2-CD1 4.19Å; F182-I186 HydrophobicContact CZ-CD1 3.57Å; F182-I186 WeakPolarHBondContact O-CG1 3.47Å; F182-I186 PolarHBondContact O-N 3.44Å; I183-I186 PolarHBondContact O-N 3.49Å; I186-N188 PolarHBondContact O-N 3.42Å; I186-Q189 PolarHBondContact O-N 2.97Å; I186-Q189 VanDerWaalsContact O-N 3.16Å; I186-C190 WeakPolarHBondContact O-CB 3.28Å; I186-C190 PolarHBondContact O-N 3.23Å; I186-C190 PolarHBondContact O-SG 3.38Å; I186-C190 VanDerWaalsContact O-SG 3.42Å
187	L	41.7	Very low	42.3	Very low	49 Å²	49	91.9 Å²	91.9	26%	0.257	46%	0.459	S	S	.	.	H	α-helix	trans	-62.5	-32.3	175.4	-69.9	174.1	0	0	0	111.9	I183 S184 I194 F234	I183-L187 HydrophobicContact CG2-CD1 3.66Å; I183-L187 HydrophobicContact CG2-CG 4.05Å; I183-L187 WeakPolarHBondContact O-CB 3.44Å; I183-L187 WeakPolarHBondContact O-CG 3.43Å; I183-L187 PolarHBondContact O-N 2.92Å; S184-L187 PolarHBondContact O-N 2.88Å; L187-I194 HydrophobicContact CD2-CD1 3.54Å; L187-F234 HydrophobicContact CB-CE2 4.22Å; L187-F234 HydrophobicContact CB-CZ 4.27Å; L187-F234 HydrophobicContact CD1-CE2 3.8Å; L187-F234 HydrophobicContact CD1-CZ 3.9Å
188	N	44.4	Very low	42.6	Very low	99 Å²	99	86.6 Å²	86.6	53%	0.529	44%	0.442	S	S	.	.	H	α-helix	trans	-82.4	-16.1	177.8	-162.3	33.1	0	0	0	113.1	S184 S185 I186 K191	S184-N188 WeakPolarHBondContact O-CB 3.39Å; S184-N188 PolarHBondContact O-N 2.89Å; S185-N188 CarbonylContact O-C 3.59Å; S185-N188 PolarHBondContact O-N 3.2Å; I186-N188 PolarHBondContact O-N 3.42Å; N188-K191 WeakPolarHBondContact OD1-CE 3.44Å; N188-K191 PolarHBondContact OD1-NZ 2.75Å
189	Q	45.4	Very low	42.6	Very low	95 Å²	95	92 Å²	92	44%	0.444	46%	0.459	S	S	.	.	H	α-helix	trans	-92.2	-44.1	172	-74	173.8	-0.1	0	0	112.3	S185 I186 K191	S185-Q189 WeakPolarHBondContact O-CG 3.48Å; S185-Q189 PolarHBondContact O-N 3.45Å; I186-Q189 PolarHBondContact O-N 2.97Å; I186-Q189 VanDerWaalsContact O-N 3.16Å; Q189-K191 PolarHBondContact O-N 3.03Å
190	C	38.2	Very low	42.5	Very low	52 Å²	52	96.9 Å²	96.9	35%	0.351	48%	0.48	S	S	.	.	S	Bend	trans	-81.2	27.4	177.6	-57.3	0	0	0	0	112.5	I186 D192 Y193 I194	I186-C190 WeakPolarHBondContact O-CB 3.28Å; I186-C190 PolarHBondContact O-N 3.23Å; I186-C190 PolarHBondContact O-SG 3.38Å; I186-C190 VanDerWaalsContact O-SG 3.42Å; C190-D192 PolarHBondContact O-N 3.12Å; C190-D192 VanDerWaalsContact O-N 3.11Å; C190-Y193 PolarHBondContact O-N 3.46Å; C190-I194 HydrophobicContact CB-CD1 3.78Å; C190-I194 HydrophobicContact CB-CG1 4.03Å; C190-I194 WeakPolarHBondContact O-CG1 3.31Å; C190-I194 PolarHBondContact O-N 3.5Å
191	K	37.6	Very low	42.7	Very low	116 Å²	116	98 Å²	98	50%	0.504	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-27.4	-158.8	-151.8	169.2	-170.1	165.6	0	114.2	N188 Q189	N188-K191 WeakPolarHBondContact OD1-CE 3.44Å; N188-K191 PolarHBondContact OD1-NZ 2.75Å; Q189-K191 PolarHBondContact O-N 3.03Å
192	D	41.7	Very low	43	Very low	136 Å²	136	96.5 Å²	96.5	73%	0.727	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	-10.8	-178.5	-55.3	-71.4	0	0	0	112.6	C190	C190-D192 PolarHBondContact O-N 3.12Å; C190-D192 VanDerWaalsContact O-N 3.11Å
193	Y	38.3	Very low	43.4	Very low	134 Å²	134	98.6 Å²	98.6	53%	0.525	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-22.7	-177.1	-128.1	-84.2	0	0	0	114	W122 C190 L195	W122-Y193 PolarHBondContact O-OH 2.84Å; C190-Y193 PolarHBondContact O-N 3.46Å; Y193-L195 VanDerWaalsContact C-N 3.26Å; Y193-L195 PolarHBondContact O-N 3.31Å
194	I	40.8	Very low	43.3	Very low	49 Å²	49	100.1 Å²	100.1	25%	0.251	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-73.3	-15.5	-172.6	-73.8	166.5	0	0	0	113.3	L187 C190 L196 H197	L187-I194 HydrophobicContact CD2-CD1 3.54Å; C190-I194 HydrophobicContact CB-CD1 3.78Å; C190-I194 HydrophobicContact CB-CG1 4.03Å; C190-I194 WeakPolarHBondContact O-CG1 3.31Å; C190-I194 PolarHBondContact O-N 3.5Å; I194-L196 PolarHBondContact O-N 3.32Å; I194-L196 VanDerWaalsContact O-N 3.11Å; I194-H197 PolarHBondContact O-N 2.75Å
195	L	41.7	Very low	43.5	Very low	144 Å²	144	100.7 Å²	100.7	75%	0.754	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-59.8	-27.2	-173.9	-142.6	78.3	0	0	0	114	Y193	Y193-L195 VanDerWaalsContact C-N 3.26Å; Y193-L195 PolarHBondContact O-N 3.31Å
196	L	42.5	Very low	43.5	Very low	165 Å²	165	102.7 Å²	102.7	86%	0.864	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-91.7	-12	-170.9	-151.2	73.5	0	0	0	114.8	I194	I194-L196 PolarHBondContact O-N 3.32Å; I194-L196 VanDerWaalsContact O-N 3.11Å
197	H	45.6	Very low	43.9	Very low	127 Å²	127	104.1 Å²	104.1	59%	0.588	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.5	7.2	-167.2	-121.3	-85.3	0	0	0	115.4	I194 Y199 K200	I194-H197 PolarHBondContact O-N 2.75Å; H197-Y199 VanDerWaalsContact C-N 3.27Å; H197-Y199 PolarHBondContact O-N 3.21Å; H197-Y199 VanDerWaalsContact O-N 3.13Å; H197-K200 PolarHBondContact O-N 2.98Å
198	H	49.6	Very low	43.9	Very low	77 Å²	77	105.9 Å²	105.9	36%	0.356	52%	0.516	S	S	.	.	H	α-helix	trans	-54.6	-35	-169.5	-132	-82.4	0	0	0	114.8	K200 L201 L202	H198-K200 PolarHBondContact O-N 3.01Å; H198-L201 PolarHBondContact O-N 3.27Å; H198-L202 PolarHBondContact O-N 3.42Å; H198-L202 VanDerWaalsContact O-N 3.07Å
199	Y	44	Very low	44.2	Very low	174 Å²	174	105.4 Å²	105.4	68%	0.682	51%	0.512	S	S	*	.	H	α-helix	trans	-61	-45.4	-176.4	-177.5	-105.4	0	0	0	113.2	H197 L201 L202 L203	H197-Y199 VanDerWaalsContact C-N 3.27Å; H197-Y199 PolarHBondContact O-N 3.21Å; H197-Y199 VanDerWaalsContact O-N 3.13Å; Y199-L201 VanDerWaalsContact C-N 3.33Å; Y199-L201 PolarHBondContact O-N 2.91Å; Y199-L202 PolarHBondContact O-N 3.11Å; Y199-L203 HydrophobicContact CD1-CD1 4.02Å; Y199-L203 HydrophobicContact CE1-CD1 3.42Å; Y199-L203 VanDerWaalsContact CE1-CD1 3.42Å; Y199-L203 HydrophobicContact CE2-CD1 4.37Å; Y199-L203 PolarHBondContact O-N 2.81Å
200	K	41.5	Very low	44.1	Very low	150 Å²	150	108 Å²	108	65%	0.652	53%	0.525	S	S	*	.	H	α-helix	trans	-68.6	-31.2	-179.7	-72.7	-172.7	177.6	179.3	0	112.5	H197 H198 F204	H197-K200 PolarHBondContact O-N 2.98Å; H198-K200 PolarHBondContact O-N 3.01Å; K200-F204 WeakPolarHBondContact O-CB 3.42Å; K200-F204 PolarHBondContact O-N 3.09Å; K200-F204 VanDerWaalsContact O-N 3.14Å
201	L	45.7	Very low	44.3	Very low	89 Å²	89	113.1 Å²	113.1	47%	0.466	54%	0.541	S	S	.	.	H	α-helix	trans	-71.4	-41.7	175.5	-174	65.2	0	0	0	111.7	H198 Y199 F204 I205	H198-L201 PolarHBondContact O-N 3.27Å; Y199-L201 VanDerWaalsContact C-N 3.33Å; Y199-L201 PolarHBondContact O-N 2.91Å; L201-F204 PolarHBondContact O-N 3.43Å; L201-I205 HydrophobicContact CG-CD1 4.17Å; L201-I205 WeakPolarHBondContact O-CG1 3.22Å; L201-I205 PolarHBondContact O-N 3.23Å
202	L	50.3	Low	44.5	Very low	81 Å²	81	112 Å²	112	42%	0.424	54%	0.54	S	S	.	.	H	α-helix	trans	-63.5	-42.7	175.3	-80.9	162.1	0	0	0	112.2	H198 Y199 F204 I205 N206	H198-L202 PolarHBondContact O-N 3.42Å; H198-L202 VanDerWaalsContact O-N 3.07Å; Y199-L202 PolarHBondContact O-N 3.11Å; L202-F204 VanDerWaalsContact C-N 3.33Å; L202-F204 PolarHBondContact O-N 3.04Å; L202-I205 PolarHBondContact O-N 3.37Å; L202-N206 WeakPolarHBondContact O-CB 3.42Å; L202-N206 PolarHBondContact O-N 3.07Å
203	L	47.7	Very low	44.7	Very low	86 Å²	86	108.6 Å²	108.6	45%	0.45	53%	0.527	S	S	.	.	H	α-helix	trans	-59.7	-41.8	173.7	-109.5	159.2	0	0	0	112.4	Y199 N206 N207	Y199-L203 HydrophobicContact CD1-CD1 4.02Å; Y199-L203 HydrophobicContact CE1-CD1 3.42Å; Y199-L203 VanDerWaalsContact CE1-CD1 3.42Å; Y199-L203 HydrophobicContact CE2-CD1 4.37Å; Y199-L203 PolarHBondContact O-N 2.81Å; L203-N206 PolarHBondContact O-N 3.05Å; L203-N207 WeakPolarHBondContact O-CB 3.48Å; L203-N207 PolarHBondContact O-N 3.05Å; L203-N207 VanDerWaalsContact O-N 3.08Å
204	F	41	Very low	45.1	Very low	119 Å²	119	108.9 Å²	108.9	52%	0.522	54%	0.537	S	S	.	.	H	α-helix	trans	-63.2	-47.7	176	-177.5	-98.8	0	0	0	111.9	K200 L201 L202 N206 N207 L208	K200-F204 WeakPolarHBondContact O-CB 3.42Å; K200-F204 PolarHBondContact O-N 3.09Å; K200-F204 VanDerWaalsContact O-N 3.14Å; L201-F204 PolarHBondContact O-N 3.43Å; L202-F204 VanDerWaalsContact C-N 3.33Å; L202-F204 PolarHBondContact O-N 3.04Å; F204-N206 VanDerWaalsContact C-N 3.35Å; F204-N206 PolarHBondContact O-N 2.9Å; F204-N207 PolarHBondContact O-N 3Å; F204-L208 HydrophobicContact CD1-CD1 4.48Å; F204-L208 HydrophobicContact CE1-CD1 3.83Å; F204-L208 HydrophobicContact CZ-CD1 4.25Å; F204-L208 WeakPolarHBondContact O-CB 3.5Å; F204-L208 PolarHBondContact O-N 2.99Å
205	I	48.3	Very low	45.1	Very low	79 Å²	79	111.8 Å²	111.8	41%	0.405	56%	0.556	S	S	.	*	H	α-helix	trans	-60.6	-43.4	177.4	-68.9	166.2	0	0	0	111.1	L201 L202 N207 L208 I209	L201-I205 HydrophobicContact CG-CD1 4.17Å; L201-I205 WeakPolarHBondContact O-CG1 3.22Å; L201-I205 PolarHBondContact O-N 3.23Å; L202-I205 PolarHBondContact O-N 3.37Å; I205-N207 PolarHBondContact O-N 3.03Å; I205-L208 WeakPolarHBondContact O-CB 3Å; I205-L208 PolarHBondContact O-N 3.43Å; I205-L208 VanDerWaalsContact O-N 3.16Å; I205-I209 HydrophobicContact CG2-CD1 3.83Å; I205-I209 HydrophobicContact CG2-CG1 4.44Å; I205-I209 WeakPolarHBondContact O-CG1 3.37Å; I205-I209 PolarHBondContact O-N 3.03Å
206	N	47.1	Very low	45.2	Very low	91 Å²	91	106.5 Å²	106.5	49%	0.487	53%	0.53	S	S	.	.	H	α-helix	trans	-64.8	-41.7	-179.2	-159.5	29.3	0	0	0	112.1	L202 L203 F204 L208 I209 Q210	L202-N206 WeakPolarHBondContact O-CB 3.42Å; L202-N206 PolarHBondContact O-N 3.07Å; L203-N206 PolarHBondContact O-N 3.05Å; F204-N206 VanDerWaalsContact C-N 3.35Å; F204-N206 PolarHBondContact O-N 2.9Å; N206-L208 VanDerWaalsContact C-N 3.25Å; N206-L208 PolarHBondContact O-N 3.16Å; N206-I209 PolarHBondContact O-N 3.06Å; N206-Q210 WeakPolarHBondContact O-CG 3.45Å; N206-Q210 PolarHBondContact O-N 3.11Å
207	N	47.8	Very low	45.5	Very low	74 Å²	74	101.8 Å²	101.8	40%	0.396	51%	0.505	S	S	.	.	H	α-helix	trans	-67.7	-25.1	175.5	-159.3	-52.7	0	0	0	112.4	L203 F204 I205 K211	L203-N207 WeakPolarHBondContact O-CB 3.48Å; L203-N207 PolarHBondContact O-N 3.05Å; L203-N207 VanDerWaalsContact O-N 3.08Å; F204-N207 PolarHBondContact O-N 3Å; I205-N207 PolarHBondContact O-N 3.03Å; N207-K211 WeakPolarHBondContact O-CD 3.35Å; N207-K211 WeakPolarHBondContact O-CG 3.46Å; N207-K211 WeakPolarHBondContact OD1-CE 3.4Å; N207-K211 PolarHBondContact OD1-NZ 3.18Å
208	L	43.1	Very low	45.6	Very low	87 Å²	87	100.3 Å²	100.3	46%	0.455	51%	0.505	S	S	.	.	H	α-helix	trans	-76.8	-44.5	174	-145.3	162	0	0	0	110.9	F204 I205 N206 Q210 K211 L212	F204-L208 HydrophobicContact CD1-CD1 4.48Å; F204-L208 HydrophobicContact CE1-CD1 3.83Å; F204-L208 HydrophobicContact CZ-CD1 4.25Å; F204-L208 WeakPolarHBondContact O-CB 3.5Å; F204-L208 PolarHBondContact O-N 2.99Å; I205-L208 WeakPolarHBondContact O-CB 3Å; I205-L208 PolarHBondContact O-N 3.43Å; I205-L208 VanDerWaalsContact O-N 3.16Å; N206-L208 VanDerWaalsContact C-N 3.25Å; N206-L208 PolarHBondContact O-N 3.16Å; L208-Q210 PolarHBondContact O-N 2.76Å; L208-K211 PolarHBondContact O-N 2.95Å; L208-K211 VanDerWaalsContact O-N 3.12Å; L208-L212 HydrophobicContact CD2-CD1 4Å; L208-L212 VanDerWaalsContact O-CD1 3.32Å; L208-L212 WeakPolarHBondContact O-CD1 3.33Å
209	I	49.3	Very low	45.3	Very low	89 Å²	89	101.5 Å²	101.5	46%	0.456	52%	0.518	S	S	.	.	H	α-helix	trans	-60.5	-43	175.1	-68.3	167.3	0	0	0	111.1	I205 N206 K211 L212	I205-I209 HydrophobicContact CG2-CD1 3.83Å; I205-I209 HydrophobicContact CG2-CG1 4.44Å; I205-I209 WeakPolarHBondContact O-CG1 3.37Å; I205-I209 PolarHBondContact O-N 3.03Å; N206-I209 PolarHBondContact O-N 3.06Å; I209-K211 PolarHBondContact O-N 3.43Å; I209-L212 PolarHBondContact O-N 3.11Å
210	Q	44.3	Very low	45.4	Very low	150 Å²	150	96.3 Å²	96.3	70%	0.701	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-8	176.5	-77.1	-175.4	-32.6	0	0	114.9	N206 L208	N206-Q210 WeakPolarHBondContact O-CG 3.45Å; N206-Q210 PolarHBondContact O-N 3.11Å; L208-Q210 PolarHBondContact O-N 2.76Å
211	K	43.3	Very low	45.7	Very low	158 Å²	158	91.1 Å²	91.1	69%	0.687	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	-0.2	-178.7	-74.3	172.3	177.6	158.6	0	114.5	N207 L208 I209	N207-K211 WeakPolarHBondContact O-CD 3.35Å; N207-K211 WeakPolarHBondContact O-CG 3.46Å; N207-K211 WeakPolarHBondContact OD1-CE 3.4Å; N207-K211 PolarHBondContact OD1-NZ 3.18Å; L208-K211 PolarHBondContact O-N 2.95Å; L208-K211 VanDerWaalsContact O-N 3.12Å; I209-K211 PolarHBondContact O-N 3.43Å
212	L	41.8	Very low	45.4	Very low	92 Å²	92	95.6 Å²	95.6	48%	0.482	49%	0.494	S	S	.	.	S	Bend	trans	-86.3	123.6	170.6	-88.2	74.6	0	0	0	110.1	L208 I209	L208-L212 HydrophobicContact CD2-CD1 4Å; L208-L212 VanDerWaalsContact O-CD1 3.32Å; L208-L212 WeakPolarHBondContact O-CD1 3.33Å; I209-L212 PolarHBondContact O-N 3.11Å
213	S	45.5	Very low	44.8	Very low	65 Å²	65	95.9 Å²	95.9	46%	0.455	49%	0.49	S	S	.	.			trans	-75.7	151.5	176.5	64.9	0	0	0	0	111.5	V215 T216	S213-V215 PolarHBondContact O-N 3.44Å; S213-T216 PolarHBondContact O-N 3.4Å; S213-T216 PolarHBondContact O-OG1 3.07Å
214	L	45.8	Very low	44.5	Very low	140 Å²	140	95.7 Å²	95.7	73%	0.733	49%	0.489	S	S	*	.	H	α-helix	trans	-52	-35.5	-173.5	-152.7	80	0	0	0	113.6	T216 I217 V218	L214-T216 VanDerWaalsContact C-N 3.31Å; L214-T216 PolarHBondContact O-N 3.21Å; L214-I217 WeakPolarHBondContact O-CB 3.22Å; L214-I217 PolarHBondContact O-N 3.5Å; L214-I217 VanDerWaalsContact O-N 3.13Å; L214-V218 PolarHBondContact O-N 3.22Å
215	V	41.2	Very low	44.6	Very low	110 Å²	110	93.6 Å²	93.6	67%	0.667	48%	0.484	S	S	*	.	H	α-helix	trans	-60.2	-37.8	178.5	-176.6	0	0	0	0	112	S213 I217 T219	S213-V215 PolarHBondContact O-N 3.44Å; V215-I217 VanDerWaalsContact C-N 3.33Å; V215-T219 PolarHBondContact O-N 3.09Å
216	T	43.5	Very low	44.4	Very low	33 Å²	33	93.1 Å²	93.1	20%	0.202	49%	0.487	C	S	.	.	H	α-helix	trans	-70.2	-30.3	177.4	66	0	0	0	0	112.4	S213 L214 T219 H220	S213-T216 PolarHBondContact O-N 3.4Å; S213-T216 PolarHBondContact O-OG1 3.07Å; L214-T216 VanDerWaalsContact C-N 3.31Å; L214-T216 PolarHBondContact O-N 3.21Å; T216-T219 PolarHBondContact O-OG1 2.88Å; T216-H220 WeakPolarHBondContact O-CB 3.47Å; T216-H220 PolarHBondContact O-CD2 3.47Å; T216-H220 PolarHBondContact O-N 3.46Å; T216-H220 VanDerWaalsContact O-N 3.16Å
217	I	49.3	Very low	44	Very low	66 Å²	66	91 Å²	91	34%	0.338	48%	0.479	S	S	.	.	H	α-helix	trans	-67.6	-41.2	-179.9	-56.7	178.6	0	0	0	110	L214 V215 H220 I221 L224	L214-I217 WeakPolarHBondContact O-CB 3.22Å; L214-I217 PolarHBondContact O-N 3.5Å; L214-I217 VanDerWaalsContact O-N 3.13Å; V215-I217 VanDerWaalsContact C-N 3.33Å; I217-H220 PolarHBondContact O-N 2.87Å; I217-I221 VanDerWaalsContact O-CG1 3.31Å; I217-I221 WeakPolarHBondContact O-CG1 3.5Å; I217-I221 PolarHBondContact O-N 3.03Å; I217-L224 HydrophobicContact CG2-CD1 4.11Å
218	V	47	Very low	43.7	Very low	97 Å²	97	92.3 Å²	92.3	59%	0.588	48%	0.478	S	S	*	.	H	α-helix	trans	-65.7	-43.5	-179.7	179.4	0	0	0	0	112.2	L214 I221	L214-V218 PolarHBondContact O-N 3.22Å; V218-I221 WeakPolarHBondContact O-CG1 3.26Å
219	T	44.7	Very low	44	Very low	102 Å²	102	89.6 Å²	89.6	63%	0.626	47%	0.471	S	S	*	.	H	α-helix	trans	-72.8	-30.3	179.9	55.6	0	0	0	0	112.8	V215 T216	V215-T219 PolarHBondContact O-N 3.09Å; T216-T219 PolarHBondContact O-OG1 2.88Å
220	H	44.7	Very low	43.7	Very low	64 Å²	64	91.7 Å²	91.7	30%	0.296	47%	0.474	S	S	.	.	H	α-helix	trans	-89.8	3.1	-177.2	-75.3	-70.8	0	0	0	115.5	T216 I217 K222 Y223 L224	T216-H220 WeakPolarHBondContact O-CB 3.47Å; T216-H220 PolarHBondContact O-CD2 3.47Å; T216-H220 PolarHBondContact O-N 3.46Å; T216-H220 VanDerWaalsContact O-N 3.16Å; I217-H220 PolarHBondContact O-N 2.87Å; H220-K222 VanDerWaalsContact C-N 3.3Å; H220-K222 PolarHBondContact O-N 3.39Å; H220-K222 VanDerWaalsContact O-N 3.09Å; H220-Y223 CarbonylContact O-C 3.58Å; H220-Y223 WeakPolarHBondContact O-CA 3.39Å; H220-Y223 PolarHBondContact O-N 3.04Å; H220-L224 HydrophobicContact CB-CD1 4.16Å; H220-L224 HydrophobicContact CB-CG 4.26Å; H220-L224 PolarHBondContact O-N 3.24Å
221	I	48.2	Very low	43.6	Very low	41 Å²	41	89.9 Å²	89.9	21%	0.21	47%	0.469	C	S	.	.	H	α-helix	trans	-46.7	-45.5	-176.6	-65.7	176.8	0	0	0	113.6	I217 V218 Y223 L224 N225 V282	I217-I221 VanDerWaalsContact O-CG1 3.31Å; I217-I221 WeakPolarHBondContact O-CG1 3.5Å; I217-I221 PolarHBondContact O-N 3.03Å; V218-I221 WeakPolarHBondContact O-CG1 3.26Å; I221-Y223 VanDerWaalsContact C-N 3.35Å; I221-Y223 PolarHBondContact O-N 3.32Å; I221-L224 PolarHBondContact O-N 3.02Å; I221-N225 WeakPolarHBondContact O-CB 3.39Å; I221-N225 PolarHBondContact O-N 2.88Å; I221-V282 HydrophobicContact CD1-CG2 4.23Å; I221-V282 HydrophobicContact CG2-CG2 3.94Å
222	K	38.7	Very low	43.9	Very low	184 Å²	184	87.5 Å²	87.5	80%	0.8	46%	0.456	S	S	*	.	H	α-helix	trans	-60.6	-39.8	177.4	-99	-174.5	175.1	180	0	113.2	H220 S226	H220-K222 VanDerWaalsContact C-N 3.3Å; H220-K222 PolarHBondContact O-N 3.39Å; H220-K222 VanDerWaalsContact O-N 3.09Å; K222-S226 PolarHBondContact O-N 2.8Å
223	Y	37.8	Very low	44.3	Very low	87 Å²	87	86.1 Å²	86.1	34%	0.341	45%	0.447	S	S	.	.	H	α-helix	trans	-80.4	-34.3	178.6	-77.1	-89.8	0	0	0	112.3	F169 S173 H220 I221 S226 C227	F169-Y223 HydrophobicContact CE1-CE2 4.47Å; F169-Y223 AromaticContact CE2-CE2 3.82Å; F169-Y223 HydrophobicContact CE2-CE2 3.82Å; F169-Y223 AromaticContact CZ-CE2 3.61Å; F169-Y223 HydrophobicContact CZ-CE2 3.61Å; S173-Y223 PolarHBondContact OG-OH 2.92Å; H220-Y223 CarbonylContact O-C 3.58Å; H220-Y223 WeakPolarHBondContact O-CA 3.39Å; H220-Y223 PolarHBondContact O-N 3.04Å; I221-Y223 VanDerWaalsContact C-N 3.35Å; I221-Y223 PolarHBondContact O-N 3.32Å; Y223-S226 PolarHBondContact O-N 3.02Å; Y223-C227 VanDerWaalsContact O-CB 3.26Å; Y223-C227 WeakPolarHBondContact O-CB 3.16Å; Y223-C227 PolarHBondContact O-N 3.43Å
224	L	41.7	Very low	44.4	Very low	81 Å²	81	87.2 Å²	87.2	42%	0.424	44%	0.444	S	S	.	.	H	α-helix	trans	-60.9	-43.9	171.4	-77.1	165.9	0	0	0	110.7	I217 H220 I221 S226 C227 W228	I217-L224 HydrophobicContact CG2-CD1 4.11Å; H220-L224 HydrophobicContact CB-CD1 4.16Å; H220-L224 HydrophobicContact CB-CG 4.26Å; H220-L224 PolarHBondContact O-N 3.24Å; I221-L224 PolarHBondContact O-N 3.02Å; L224-S226 PolarHBondContact O-N 3.31Å; L224-C227 PolarHBondContact O-N 2.82Å; L224-W228 WeakPolarHBondContact O-CB 3.13Å; L224-W228 PolarHBondContact O-N 3.06Å
225	N	43.5	Very low	44.3	Very low	76 Å²	76	84.3 Å²	84.3	41%	0.406	42%	0.424	S	S	.	.	H	α-helix	trans	-63.3	-40.8	174.2	-76.5	-0.7	0	0	0	112.6	I221 W228 G229	I221-N225 WeakPolarHBondContact O-CB 3.39Å; I221-N225 PolarHBondContact O-N 2.88Å; N225-W228 PolarHBondContact O-N 3.44Å; N225-G229 PolarHBondContact O-N 3.45Å
226	S	43.2	Very low	44.7	Very low	68 Å²	68	81.9 Å²	81.9	48%	0.476	41%	0.407	S	S	.	.	H	α-helix	trans	-67.5	-43.9	177.1	-171.3	0	0	0	0	112.1	K222 Y223 L224 W228 G229 Y230	K222-S226 PolarHBondContact O-N 2.8Å; Y223-S226 PolarHBondContact O-N 3.02Å; L224-S226 PolarHBondContact O-N 3.31Å; S226-W228 VanDerWaalsContact C-N 3.33Å; S226-W228 PolarHBondContact O-N 3.48Å; S226-G229 PolarHBondContact O-N 3.31Å; S226-Y230 VanDerWaalsContact O-CD2 3.3Å; S226-Y230 WeakPolarHBondContact O-CD2 3.44Å; S226-Y230 PolarHBondContact O-N 3.29Å
227	C	38.6	Very low	45	Very low	46 Å²	46	86.6 Å²	86.6	31%	0.311	42%	0.421	S	S	.	.	H	α-helix	trans	-67.6	-33.7	175.7	-161.9	0	0	0	0	111.9	Y223 L224 Y230 L231	Y223-C227 VanDerWaalsContact O-CB 3.26Å; Y223-C227 WeakPolarHBondContact O-CB 3.16Å; Y223-C227 PolarHBondContact O-N 3.43Å; L224-C227 PolarHBondContact O-N 2.82Å; C227-Y230 PolarHBondContact O-N 3.4Å; C227-L231 WeakPolarHBondContact O-CB 3.28Å; C227-L231 WeakPolarHBondContact O-CG 3.36Å; C227-L231 PolarHBondContact O-N 2.86Å
228	W	43.3	Very low	45	Very low	103 Å²	103	87.2 Å²	87.2	39%	0.39	42%	0.421	S	S	.	.	H	α-helix	trans	-65.1	-39.2	171.5	-179.1	66.9	0	0	0	111.3	L224 N225 S226 Y230 L231 Y232 L275	L224-W228 WeakPolarHBondContact O-CB 3.13Å; L224-W228 PolarHBondContact O-N 3.06Å; N225-W228 PolarHBondContact O-N 3.44Å; S226-W228 VanDerWaalsContact C-N 3.33Å; S226-W228 PolarHBondContact O-N 3.48Å; W228-Y230 VanDerWaalsContact C-N 3.33Å; W228-Y230 PolarHBondContact O-N 2.94Å; W228-L231 PolarHBondContact O-N 3.34Å; W228-Y232 HydrophobicContact CZ2-CD2 4.46Å; W228-Y232 WeakPolarHBondContact O-CB 3.34Å; W228-Y232 PolarHBondContact O-N 3Å; W228-L275 HydrophobicContact CD2-CD1 4.21Å; W228-L275 HydrophobicContact CH2-CD2 4.05Å; W228-L275 HydrophobicContact CZ2-CD1 3.83Å; W228-L275 HydrophobicContact CZ2-CD2 3.54Å; W228-L275 HydrophobicContact CZ2-CG 4.33Å
229	G	47.6	Very low	45.1	Very low	30 Å²	30	85 Å²	85	31%	0.309	41%	0.406	S	S	.	.	H	α-helix	trans	-55.1	-45.3	170.9	0	0	0	0	0	112.9	N225 S226 Q233	N225-G229 PolarHBondContact O-N 3.45Å; S226-G229 PolarHBondContact O-N 3.31Å; G229-Q233 WeakPolarHBondContact O-CG 3.42Å; G229-Q233 PolarHBondContact O-N 3.5Å
230	Y	43.2	Very low	45.3	Very low	133 Å²	133	85 Å²	85	52%	0.522	40%	0.401	S	S	.	.	H	α-helix	trans	-68.4	-42.7	175.1	-74	-69.4	0	0	0	113.3	S226 C227 W228 Q233 F234	S226-Y230 VanDerWaalsContact O-CD2 3.3Å; S226-Y230 WeakPolarHBondContact O-CD2 3.44Å; S226-Y230 PolarHBondContact O-N 3.29Å; C227-Y230 PolarHBondContact O-N 3.4Å; W228-Y230 VanDerWaalsContact C-N 3.33Å; W228-Y230 PolarHBondContact O-N 2.94Å; Y230-Q233 PolarHBondContact O-N 3.24Å; Y230-F234 PolarHBondContact O-N 3.41Å
231	L	42.4	Very low	45.3	Very low	111 Å²	111	88.2 Å²	88.2	58%	0.581	41%	0.414	S	S	*	.	H	α-helix	trans	-65.8	-37.7	177.2	-73.4	168.3	0	0	0	112.1	C227 W228 F234 Y235	C227-L231 WeakPolarHBondContact O-CB 3.28Å; C227-L231 WeakPolarHBondContact O-CG 3.36Å; C227-L231 PolarHBondContact O-N 2.86Å; W228-L231 PolarHBondContact O-N 3.34Å; L231-F234 PolarHBondContact O-N 3.14Å; L231-Y235 VanDerWaalsContact O-CB 3.31Å; L231-Y235 WeakPolarHBondContact O-CB 3.37Å; L231-Y235 PolarHBondContact O-N 3.33Å
232	Y	51.1	Low	44.9	Very low	109 Å²	109	92.1 Å²	92.1	43%	0.427	43%	0.427	S	S	.	.	H	α-helix	trans	-70	-39.9	176.5	-174.4	-113.1	0	0	0	111.6	W228 F234 Y235 L236	W228-Y232 HydrophobicContact CZ2-CD2 4.46Å; W228-Y232 WeakPolarHBondContact O-CB 3.34Å; W228-Y232 PolarHBondContact O-N 3Å; Y232-F234 VanDerWaalsContact C-N 3.32Å; Y232-F234 PolarHBondContact O-N 3.1Å; Y232-Y235 HydrophobicContact CD2-CD1 4.37Å; Y232-Y235 PolarHBondContact O-N 3.43Å; Y232-L236 HydrophobicContact CD1-CD1 3.85Å; Y232-L236 HydrophobicContact CE1-CD1 3.47Å; Y232-L236 VanDerWaalsContact CE1-CD1 3.47Å; Y232-L236 HydrophobicContact CE1-CG 4.26Å; Y232-L236 HydrophobicContact CE2-CG 4.48Å; Y232-L236 WeakPolarHBondContact O-CB 3.41Å; Y232-L236 PolarHBondContact O-N 2.75Å
233	Q	49.7	Very low	45	Very low	62 Å²	62	89.7 Å²	89.7	29%	0.29	42%	0.418	S	S	.	.	H	α-helix	trans	-59.6	-41.5	167.7	-79.8	-170.6	11.2	0	0	112.1	G229 Y230 R237 W456	G229-Q233 WeakPolarHBondContact O-CG 3.42Å; G229-Q233 PolarHBondContact O-N 3.5Å; Y230-Q233 PolarHBondContact O-N 3.24Å; Q233-R237 WeakPolarHBondContact O-CB 3.28Å; Q233-R237 VanDerWaalsContact O-CG 3.27Å; Q233-R237 WeakPolarHBondContact O-CG 3.5Å; Q233-R237 PolarHBondContact O-N 3.46Å; Q233-W456 HydrophobicContact CG-CH2 3.91Å; Q233-W456 HydrophobicContact CG-CZ3 4.24Å; Q233-W456 VanDerWaalsContact NE2-CZ3 3.26Å
234	F	47	Very low	45	Very low	89 Å²	89	93.8 Å²	93.8	39%	0.39	43%	0.434	S	S	.	.	H	α-helix	trans	-66.3	-43.6	178.3	-158	-85.1	0	0	0	111.3	L187 Y230 L231 Y232 R237 F238	L187-F234 HydrophobicContact CB-CE2 4.22Å; L187-F234 HydrophobicContact CB-CZ 4.27Å; L187-F234 HydrophobicContact CD1-CE2 3.8Å; L187-F234 HydrophobicContact CD1-CZ 3.9Å; Y230-F234 PolarHBondContact O-N 3.41Å; L231-F234 PolarHBondContact O-N 3.14Å; Y232-F234 VanDerWaalsContact C-N 3.32Å; Y232-F234 PolarHBondContact O-N 3.1Å; F234-R237 PolarHBondContact O-N 3.17Å; F234-F238 HydrophobicContact CD1-CD2 4.27Å; F234-F238 AromaticContact CE1-CD2 3.79Å; F234-F238 HydrophobicContact CE1-CD2 3.79Å; F234-F238 HydrophobicContact CE1-CE2 4.1Å; F234-F238 WeakPolarHBondContact O-CB 3.45Å; F234-F238 PolarHBondContact O-N 3.07Å
235	Y	44	Very low	44.9	Very low	78 Å²	78	97.3 Å²	97.3	31%	0.306	45%	0.446	S	S	.	.	H	α-helix	trans	-62.2	-45.9	175.6	177.5	-103.4	0	0	0	112.5	L231 Y232 F238 I239 I268	L231-Y235 VanDerWaalsContact O-CB 3.31Å; L231-Y235 WeakPolarHBondContact O-CB 3.37Å; L231-Y235 PolarHBondContact O-N 3.33Å; Y232-Y235 HydrophobicContact CD2-CD1 4.37Å; Y232-Y235 PolarHBondContact O-N 3.43Å; Y235-F238 PolarHBondContact O-N 3.24Å; Y235-F238 VanDerWaalsContact O-N 3.15Å; Y235-I239 HydrophobicContact CD1-CD1 4.25Å; Y235-I239 HydrophobicContact CD2-CD1 4.44Å; Y235-I239 HydrophobicContact CE1-CD1 3.58Å; Y235-I239 HydrophobicContact CE2-CD1 3.79Å; Y235-I239 HydrophobicContact CE2-CG1 4.39Å; Y235-I239 PolarHBondContact O-N 3.28Å; Y235-I239 WeakPolarHBondContact OH-CD1 3.5Å; Y235-I268 HydrophobicContact CE2-CG1 4.49Å; Y235-I268 WeakPolarHBondContact OH-CD1 3.36Å; Y235-I268 WeakPolarHBondContact OH-CG1 3.3Å
236	L	49.9	Very low	44.6	Very low	59 Å²	59	101 Å²	101	31%	0.309	46%	0.455	S	S	.	.	H	α-helix	trans	-59.5	-48.4	173	-85.2	168.4	0	0	0	111.5	Y232 F238 I239 I240	Y232-L236 HydrophobicContact CD1-CD1 3.85Å; Y232-L236 HydrophobicContact CE1-CD1 3.47Å; Y232-L236 VanDerWaalsContact CE1-CD1 3.47Å; Y232-L236 HydrophobicContact CE1-CG 4.26Å; Y232-L236 HydrophobicContact CE2-CG 4.48Å; Y232-L236 WeakPolarHBondContact O-CB 3.41Å; Y232-L236 PolarHBondContact O-N 2.75Å; L236-F238 PolarHBondContact O-N 3.04Å; L236-I239 PolarHBondContact O-N 3Å; L236-I240 WeakPolarHBondContact O-CB 3.39Å; L236-I240 WeakPolarHBondContact O-CD1 3.44Å; L236-I240 VanDerWaalsContact O-CG1 3.22Å; L236-I240 WeakPolarHBondContact O-CG1 3.36Å; L236-I240 PolarHBondContact O-N 3.15Å
237	R	50	Low	44.6	Very low	132 Å²	132	106.9 Å²	106.9	50%	0.498	47%	0.471	S	S	.	.	H	α-helix	trans	-59.5	-34.8	175.1	-74.4	175.3	179.1	-169	1.7	111.9	Q233 F234 K241	Q233-R237 WeakPolarHBondContact O-CB 3.28Å; Q233-R237 VanDerWaalsContact O-CG 3.27Å; Q233-R237 WeakPolarHBondContact O-CG 3.5Å; Q233-R237 PolarHBondContact O-N 3.46Å; F234-R237 PolarHBondContact O-N 3.17Å; R237-K241 VanDerWaalsContact O-CB 3.24Å; R237-K241 WeakPolarHBondContact O-CB 3.48Å; R237-K241 PolarHBondContact O-N 3.03Å
238	F	49	Very low	44.6	Very low	79 Å²	79	111.1 Å²	111.1	35%	0.346	49%	0.485	S	S	.	.	H	α-helix	trans	-71.2	-48.7	176.1	-131.4	-87.6	0	0	0	112.2	F234 Y235 L236 K241 Y242	F234-F238 HydrophobicContact CD1-CD2 4.27Å; F234-F238 AromaticContact CE1-CD2 3.79Å; F234-F238 HydrophobicContact CE1-CD2 3.79Å; F234-F238 HydrophobicContact CE1-CE2 4.1Å; F234-F238 WeakPolarHBondContact O-CB 3.45Å; F234-F238 PolarHBondContact O-N 3.07Å; Y235-F238 PolarHBondContact O-N 3.24Å; Y235-F238 VanDerWaalsContact O-N 3.15Å; L236-F238 PolarHBondContact O-N 3.04Å; F238-K241 PolarHBondContact O-N 3.44Å; F238-Y242 WeakPolarHBondContact O-CB 3.46Å; F238-Y242 PolarHBondContact O-N 3.36Å
239	I	48.1	Very low	44.1	Very low	52 Å²	52	115 Å²	115	27%	0.267	51%	0.505	S	S	.	.	H	α-helix	trans	-64.6	-46.1	179.3	-75.9	-172	0	0	0	111.6	Y235 L236 K241 Y242 Q243	Y235-I239 HydrophobicContact CD1-CD1 4.25Å; Y235-I239 HydrophobicContact CD2-CD1 4.44Å; Y235-I239 HydrophobicContact CE1-CD1 3.58Å; Y235-I239 HydrophobicContact CE2-CD1 3.79Å; Y235-I239 HydrophobicContact CE2-CG1 4.39Å; Y235-I239 PolarHBondContact O-N 3.28Å; Y235-I239 WeakPolarHBondContact OH-CD1 3.5Å; L236-I239 PolarHBondContact O-N 3Å; I239-K241 VanDerWaalsContact C-N 3.32Å; I239-K241 PolarHBondContact O-N 3.23Å; I239-Y242 PolarHBondContact O-N 2.98Å; I239-Q243 HydrophobicContact CG2-CG 4.39Å; I239-Q243 WeakPolarHBondContact O-CB 3.31Å; I239-Q243 PolarHBondContact O-N 3.47Å
240	I	50.4	Low	43.3	Very low	100 Å²	100	122.8 Å²	122.8	51%	0.513	53%	0.533	S	S	.	.	H	α-helix	trans	-59.5	-45.8	178.3	-66.6	165.7	0	0	0	109.7	L236 Y244	L236-I240 WeakPolarHBondContact O-CB 3.39Å; L236-I240 WeakPolarHBondContact O-CD1 3.44Å; L236-I240 VanDerWaalsContact O-CG1 3.22Å; L236-I240 WeakPolarHBondContact O-CG1 3.36Å; L236-I240 PolarHBondContact O-N 3.15Å; I240-Y244 WeakPolarHBondContact O-CB 3.46Å; I240-Y244 PolarHBondContact O-N 3.38Å
241	K	44.6	Very low	42.7	Very low	132 Å²	132	127.5 Å²	127.5	57%	0.574	55%	0.55	S	S	*	.	H	α-helix	trans	-70.9	-31.5	178.2	-157.9	-178.4	-175.5	-163.7	0	113	R237 F238 I239 K245	R237-K241 VanDerWaalsContact O-CB 3.24Å; R237-K241 WeakPolarHBondContact O-CB 3.48Å; R237-K241 PolarHBondContact O-N 3.03Å; F238-K241 PolarHBondContact O-N 3.44Å; I239-K241 VanDerWaalsContact C-N 3.32Å; I239-K241 PolarHBondContact O-N 3.23Å; K241-K245 WeakPolarHBondContact O-CB 3.41Å; K241-K245 PolarHBondContact O-N 3.47Å
242	Y	38.7	Very low	42.2	Very low	124 Å²	124	127.6 Å²	127.6	49%	0.486	56%	0.56	S	S	.	*	H	α-helix	trans	-72.2	-42.9	176.8	-168.2	-104.5	0	0	0	111.6	F238 I239 K245 R246	F238-Y242 WeakPolarHBondContact O-CB 3.46Å; F238-Y242 PolarHBondContact O-N 3.36Å; I239-Y242 PolarHBondContact O-N 2.98Å; Y242-K245 PolarHBondContact O-N 3Å; Y242-R246 VanDerWaalsContact O-CB 3.32Å; Y242-R246 WeakPolarHBondContact O-CB 3.34Å; Y242-R246 PolarHBondContact O-N 3.04Å
243	Q	40.9	Very low	41.5	Very low	132 Å²	132	129.3 Å²	129.3	62%	0.617	58%	0.577	S	S	*	*	H	α-helix	trans	-65.5	-39.9	172.7	-71	-163.7	0.5	0	0	111.9	I239 K245 R246 K247	I239-Q243 HydrophobicContact CG2-CG 4.39Å; I239-Q243 WeakPolarHBondContact O-CB 3.31Å; I239-Q243 PolarHBondContact O-N 3.47Å; Q243-K245 PolarHBondContact O-N 3.16Å; Q243-R246 PolarHBondContact O-N 3.02Å; Q243-K247 PolarHBondContact O-N 2.96Å; Q243-K247 VanDerWaalsContact O-N 3.14Å
244	Y	37.4	Very low	40.7	Very low	173 Å²	173	131.6 Å²	131.6	68%	0.678	60%	0.595	S	S	*	*	H	α-helix	trans	-57.1	-47	170.9	-115.1	-86.4	0	0	0	111.8	I240 R246 K247	I240-Y244 WeakPolarHBondContact O-CB 3.46Å; I240-Y244 PolarHBondContact O-N 3.38Å; Y244-R246 VanDerWaalsContact C-N 3.35Å; Y244-R246 PolarHBondContact O-N 3.24Å; Y244-K247 PolarHBondContact O-N 3.29Å
245	K	41.2	Very low	40.2	Very low	156 Å²	156	134 Å²	134	68%	0.678	61%	0.612	S	S	*	*	H	α-helix	trans	-69.8	-30.5	179.3	-155.6	170.4	-172.9	178.3	0	112.5	K241 Y242 Q243 F248	K241-K245 WeakPolarHBondContact O-CB 3.41Å; K241-K245 PolarHBondContact O-N 3.47Å; Y242-K245 PolarHBondContact O-N 3Å; Q243-K245 PolarHBondContact O-N 3.16Å; K245-F248 PolarHBondContact O-N 3.07Å
246	R	37.5	Very low	39.9	Very low	153 Å²	153	137 Å²	137	58%	0.577	63%	0.633	S	S	*	*	H	α-helix	trans	-71.2	-26.5	177.5	-162.6	174.5	-173.8	-175	1.6	113	Y242 Q243 Y244 F248	Y242-R246 VanDerWaalsContact O-CB 3.32Å; Y242-R246 WeakPolarHBondContact O-CB 3.34Å; Y242-R246 PolarHBondContact O-N 3.04Å; Q243-R246 PolarHBondContact O-N 3.02Å; Y244-R246 VanDerWaalsContact C-N 3.35Å; Y244-R246 PolarHBondContact O-N 3.24Å; R246-F248 VanDerWaalsContact C-N 3.28Å; R246-F248 PolarHBondContact O-N 3.5Å
247	K	42.1	Very low	39.2	Very low	191 Å²	191	138.7 Å²	138.7	83%	0.83	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-9.5	171	-81.2	-166.8	172.7	-172.8	0	114.7	Q243 Y244	Q243-K247 PolarHBondContact O-N 2.96Å; Q243-K247 VanDerWaalsContact O-N 3.14Å; Y244-K247 PolarHBondContact O-N 3.29Å
248	F	38.7	Very low	38.8	Very low	136 Å²	136	138 Å²	138	60%	0.596	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.8	11.6	-169.9	-106.7	-83.7	0	0	0	115.8	K245 R246	K245-F248 PolarHBondContact O-N 3.07Å; R246-F248 VanDerWaalsContact C-N 3.28Å; R246-F248 PolarHBondContact O-N 3.5Å
249	K	33.5	Very low	38.3	Very low	184 Å²	184	141.9 Å²	141.9	80%	0.8	67%	0.665	S	S	*	*			trans	-152.6	73.6	176	-147	168.9	-172.3	177.8	0	114.9
250	Q	29.9	Very low	37.7	Very low	194 Å²	194	148.2 Å²	148.2	91%	0.907	69%	0.687	S	S	*	*			trans	-92.6	91.8	165.5	-86.4	-173.7	-34.8	0	0	111.4
251	R	30	Very low	37.4	Very low	231 Å²	231	145.7 Å²	145.7	87%	0.872	68%	0.675	S	S	*	*			trans	-169.2	152.3	153.6	-114.8	169.8	173.5	159.8	-1.9	110
252	S	33.4	Very low	37.3	Very low	114 Å²	114	147.6 Å²	147.6	80%	0.797	68%	0.679	S	S	*	*	S	Bend	trans	72.6	130.6	-176.1	72	0	0	0	0	117.8
253	N	34.9	Very low	38	Very low	145 Å²	145	145.1 Å²	145.1	78%	0.775	68%	0.68	S	S	*	*			trans	46.5	90.3	162.1	-61.5	7.2	0	0	0	119.1
254	T	33.3	Very low	38.3	Very low	110 Å²	110	144.4 Å²	144.4	68%	0.675	67%	0.672	S	S	*	*	S	Bend	trans	-74.1	-32.2	177.4	38.7	0	0	0	0	115.5	L256 L257	T254-L256 PolarHBondContact O-N 3.22Å; T254-L257 PolarHBondContact O-N 3.22Å
255	N	36	Very low	39.2	Very low	140 Å²	140	141.2 Å²	141.2	75%	0.749	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-27.1	-162.7	-66.3	6.5	0	0	0	114.6	L257	N255-L257 VanDerWaalsContact C-N 3.35Å
256	L	38.3	Very low	39.7	Very low	141 Å²	141	138 Å²	138	74%	0.738	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-15.6	179.7	-132.6	77.1	0	0	0	113.7	T254	T254-L256 PolarHBondContact O-N 3.22Å
257	L	36.2	Very low	40.5	Very low	94 Å²	94	134.4 Å²	134.4	49%	0.492	65%	0.647	S	S	.	*	H	α-helix	trans	-82.5	-20.4	-171.7	-128.2	75.9	0	0	0	113.8	T254 N255 N261	T254-L257 PolarHBondContact O-N 3.22Å; N255-L257 VanDerWaalsContact C-N 3.35Å; L257-N261 PolarHBondContact O-N 3.15Å; L257-N261 PolarHBondContact O-ND2 2.98Å
258	I	40	Very low	41.2	Very low	116 Å²	116	128.2 Å²	128.2	60%	0.595	62%	0.623	S	S	*	*	H	α-helix	trans	-72.3	-46.6	-171.8	-59.5	176.1	0	0	0	110.7	Y260 N261 Y262	I258-Y260 VanDerWaalsContact C-N 3.29Å; I258-Y260 PolarHBondContact O-N 3.42Å; I258-N261 PolarHBondContact O-N 3.34Å; I258-N261 VanDerWaalsContact O-N 3.17Å; I258-Y262 PolarHBondContact O-N 2.98Å
259	H	38.3	Very low	42.2	Very low	161 Å²	161	124.7 Å²	124.7	75%	0.745	62%	0.615	S	S	*	*	H	α-helix	trans	-61.4	-34.8	-179.4	-124.5	-72.2	0	0	0	113.3	S263	H259-S263 PolarHBondContact O-N 2.93Å
260	Y	37.2	Very low	43.4	Very low	185 Å²	185	122.1 Å²	122.1	73%	0.725	60%	0.604	S	S	*	*	H	α-helix	trans	-68.2	-39.4	176.3	-91.4	-83.2	0	0	0	112.8	I258 Y264	I258-Y260 VanDerWaalsContact C-N 3.29Å; I258-Y260 PolarHBondContact O-N 3.42Å; Y260-Y264 WeakPolarHBondContact O-CB 3.17Å; Y260-Y264 PolarHBondContact O-N 3.36Å
261	N	42.6	Very low	44.5	Very low	48 Å²	48	118.6 Å²	118.6	26%	0.257	59%	0.586	S	S	.	*	H	α-helix	trans	-65	-43.9	177.5	-74	-62	0	0	0	111.5	L257 I258 S263 Y264 I265	L257-N261 PolarHBondContact O-N 3.15Å; L257-N261 PolarHBondContact O-ND2 2.98Å; I258-N261 PolarHBondContact O-N 3.34Å; I258-N261 VanDerWaalsContact O-N 3.17Å; N261-S263 PolarHBondContact O-N 3.1Å; N261-Y264 PolarHBondContact O-N 2.91Å; N261-I265 WeakPolarHBondContact O-CG1 3.45Å; N261-I265 PolarHBondContact O-N 3.41Å
262	Y	43.8	Very low	45.8	Very low	172 Å²	172	114.9 Å²	114.9	68%	0.675	57%	0.573	S	S	*	*	H	α-helix	trans	-63.5	-43.6	-175.3	-142.5	-83	0	0	0	112.6	I258 Y264 I265 L266	I258-Y262 PolarHBondContact O-N 2.98Å; Y262-Y264 VanDerWaalsContact C-N 3.33Å; Y262-Y264 PolarHBondContact O-N 2.99Å; Y262-I265 PolarHBondContact O-N 3.16Å; Y262-L266 PolarHBondContact O-N 3.34Å; Y262-L266 VanDerWaalsContact O-N 3.13Å
263	S	51.8	Low	47.3	Very low	72 Å²	72	114.8 Å²	114.8	50%	0.503	56%	0.563	S	S	.	*	H	α-helix	trans	-63.6	-38.1	175.4	-171.9	0	0	0	0	112.2	H259 N261 L266 I267	H259-S263 PolarHBondContact O-N 2.93Å; N261-S263 PolarHBondContact O-N 3.1Å; S263-L266 PolarHBondContact O-N 2.95Å; S263-I267 WeakPolarHBondContact O-CG1 3.22Å; S263-I267 PolarHBondContact O-N 3.17Å; S263-I267 VanDerWaalsContact O-N 3.16Å
264	Y	48.2	Very low	48.5	Very low	116 Å²	116	112 Å²	112	46%	0.455	55%	0.547	S	S	.	.	H	α-helix	trans	-67.4	-42	179	-153.5	-95.7	0	0	0	112.3	Y260 N261 Y262 L266 I267 I268	Y260-Y264 WeakPolarHBondContact O-CB 3.17Å; Y260-Y264 PolarHBondContact O-N 3.36Å; N261-Y264 PolarHBondContact O-N 2.91Å; Y262-Y264 VanDerWaalsContact C-N 3.33Å; Y262-Y264 PolarHBondContact O-N 2.99Å; Y264-L266 VanDerWaalsContact C-N 3.35Å; Y264-L266 PolarHBondContact O-N 3.39Å; Y264-I267 PolarHBondContact O-N 3.49Å; Y264-I268 HydrophobicContact CD1-CD1 3.65Å; Y264-I268 HydrophobicContact CD1-CG1 4.38Å; Y264-I268 HydrophobicContact CE1-CD1 3.86Å; Y264-I268 HydrophobicContact CE1-CG1 4.49Å; Y264-I268 WeakPolarHBondContact O-CG1 3.37Å; Y264-I268 PolarHBondContact O-N 3.21Å; Y264-I268 VanDerWaalsContact O-N 3.1Å
265	I	56.8	Low	49.6	Very low	106 Å²	106	108.5 Å²	108.5	54%	0.544	52%	0.524	S	S	.	.	H	α-helix	trans	-62	-42.2	175.2	-67.3	164.3	0	0	0	110.9	N261 Y262 I267 I268 S269	N261-I265 WeakPolarHBondContact O-CG1 3.45Å; N261-I265 PolarHBondContact O-N 3.41Å; Y262-I265 PolarHBondContact O-N 3.16Å; I265-I267 VanDerWaalsContact C-N 3.28Å; I265-I267 PolarHBondContact O-N 3.38Å; I265-I268 PolarHBondContact O-N 3.46Å; I265-S269 PolarHBondContact O-N 2.78Å
266	L	50.9	Low	50.8	Low	88 Å²	88	106 Å²	106	46%	0.461	51%	0.51	S	S	.	.	H	α-helix	trans	-67.7	-25.2	179	-152.5	97.2	0	0	0	113.5	Y262 S263 Y264 S269 K270	Y262-L266 PolarHBondContact O-N 3.34Å; Y262-L266 VanDerWaalsContact O-N 3.13Å; S263-L266 PolarHBondContact O-N 2.95Å; Y264-L266 VanDerWaalsContact C-N 3.35Å; Y264-L266 PolarHBondContact O-N 3.39Å; L266-S269 PolarHBondContact O-OG 3.44Å; L266-K270 WeakPolarHBondContact O-CG 3.49Å; L266-K270 PolarHBondContact O-N 3.42Å
267	I	55.4	Low	51.9	Low	79 Å²	79	103.7 Å²	103.7	41%	0.405	50%	0.498	S	S	.	.	H	α-helix	trans	-75.3	-42.5	172.1	-69.3	164.6	0	0	0	110.4	S263 Y264 I265 K270 F271	S263-I267 WeakPolarHBondContact O-CG1 3.22Å; S263-I267 PolarHBondContact O-N 3.17Å; S263-I267 VanDerWaalsContact O-N 3.16Å; Y264-I267 PolarHBondContact O-N 3.49Å; I265-I267 VanDerWaalsContact C-N 3.28Å; I265-I267 PolarHBondContact O-N 3.38Å; I267-K270 PolarHBondContact O-N 2.92Å; I267-F271 PolarHBondContact O-N 3.33Å
268	I	56.8	Low	52.8	Low	60 Å²	60	101.7 Å²	101.7	31%	0.308	49%	0.487	S	S	.	.	H	α-helix	trans	-61.1	-45.7	177.8	-67.5	164.2	0	0	0	111	Y235 Y264 I265 K270 F271 Y272	Y235-I268 HydrophobicContact CE2-CG1 4.49Å; Y235-I268 WeakPolarHBondContact OH-CD1 3.36Å; Y235-I268 WeakPolarHBondContact OH-CG1 3.3Å; Y264-I268 HydrophobicContact CD1-CD1 3.65Å; Y264-I268 HydrophobicContact CD1-CG1 4.38Å; Y264-I268 HydrophobicContact CE1-CD1 3.86Å; Y264-I268 HydrophobicContact CE1-CG1 4.49Å; Y264-I268 WeakPolarHBondContact O-CG1 3.37Å; Y264-I268 PolarHBondContact O-N 3.21Å; Y264-I268 VanDerWaalsContact O-N 3.1Å; I265-I268 PolarHBondContact O-N 3.46Å; I268-K270 PolarHBondContact O-N 2.91Å; I268-F271 PolarHBondContact O-N 3.35Å; I268-Y272 WeakPolarHBondContact O-CB 3.39Å; I268-Y272 PolarHBondContact O-N 3.01Å
269	S	58.2	Low	53.4	Low	62 Å²	62	100 Å²	100	43%	0.434	48%	0.479	S	S	.	.	H	α-helix	trans	-63.6	-40.9	-179.5	64.9	0	0	0	0	112.6	I265 L266 Y272 L273	I265-S269 PolarHBondContact O-N 2.78Å; L266-S269 PolarHBondContact O-OG 3.44Å; S269-Y272 PolarHBondContact O-N 3.36Å; S269-L273 PolarHBondContact O-N 3.07Å
270	K	58.6	Low	54.3	Low	130 Å²	130	96 Å²	96	57%	0.565	47%	0.466	S	S	*	.	H	α-helix	trans	-64.3	-38.7	174.4	-72.9	-179.7	179.1	-176.1	0	112.4	L266 I267 I268 L274	L266-K270 WeakPolarHBondContact O-CG 3.49Å; L266-K270 PolarHBondContact O-N 3.42Å; I267-K270 PolarHBondContact O-N 2.92Å; I268-K270 PolarHBondContact O-N 2.91Å; K270-L274 PolarHBondContact O-N 2.74Å; K270-L274 VanDerWaalsContact O-N 3.15Å
271	F	53.7	Low	55	Low	120 Å²	120	90.8 Å²	90.8	53%	0.526	45%	0.454	S	S	.	.	H	α-helix	trans	-66.1	-39.5	173.8	-114.9	-83.2	0	0	0	112.6	I267 I268 L274 L275	I267-F271 PolarHBondContact O-N 3.33Å; I268-F271 PolarHBondContact O-N 3.35Å; F271-L274 PolarHBondContact O-N 3.25Å; F271-L275 PolarHBondContact O-N 3.49Å
272	Y	57.1	Low	55.2	Low	154 Å²	154	90.1 Å²	90.1	60%	0.604	45%	0.451	S	S	*	.	H	α-helix	trans	-67.6	-39.3	178.2	-163.6	-96.5	0	0	0	112.2	I268 S269 L275 L276	I268-Y272 WeakPolarHBondContact O-CB 3.39Å; I268-Y272 PolarHBondContact O-N 3.01Å; S269-Y272 PolarHBondContact O-N 3.36Å; Y272-L275 WeakPolarHBondContact O-CB 3.13Å; Y272-L275 PolarHBondContact O-N 3.49Å; Y272-L276 HydrophobicContact CD1-CD1 4.01Å; Y272-L276 HydrophobicContact CE1-CD1 3.89Å; Y272-L276 PolarHBondContact O-N 3.33Å
273	L	65	Low	55.1	Low	112 Å²	112	85.9 Å²	85.9	59%	0.586	45%	0.445	S	S	*	.	H	α-helix	trans	-63	-43	174.5	-167.1	74	0	0	0	111.8	S269 L275 L276 I277	S269-L273 PolarHBondContact O-N 3.07Å; L273-L275 VanDerWaalsContact C-N 3.3Å; L273-L275 PolarHBondContact O-N 3.45Å; L273-L276 WeakPolarHBondContact O-CB 3.35Å; L273-L276 PolarHBondContact O-N 3.21Å; L273-I277 WeakPolarHBondContact O-CG1 3.5Å; L273-I277 PolarHBondContact O-N 2.94Å; L273-I277 VanDerWaalsContact O-N 3.11Å
274	L	61.6	Low	54.8	Low	85 Å²	85	87.6 Å²	87.6	45%	0.445	45%	0.449	S	S	.	.	H	α-helix	trans	-61.8	-38.7	174.3	-176.6	64.1	0	0	0	111.7	K270 F271 I277 I278	K270-L274 PolarHBondContact O-N 2.74Å; K270-L274 VanDerWaalsContact O-N 3.15Å; F271-L274 PolarHBondContact O-N 3.25Å; L274-I277 PolarHBondContact O-N 3.39Å; L274-I278 HydrophobicContact CG-CD1 4.14Å; L274-I278 WeakPolarHBondContact O-CG1 3.41Å; L274-I278 PolarHBondContact O-N 3.45Å
275	L	54.6	Low	54.6	Low	37 Å²	37	84.8 Å²	84.8	19%	0.194	45%	0.446	C	S	.	.	H	α-helix	trans	-64.7	-39.4	176.6	-155.1	82.7	0	0	0	112.3	W228 F271 Y272 L273 I278 N279	W228-L275 HydrophobicContact CD2-CD1 4.21Å; W228-L275 HydrophobicContact CH2-CD2 4.05Å; W228-L275 HydrophobicContact CZ2-CD1 3.83Å; W228-L275 HydrophobicContact CZ2-CD2 3.54Å; W228-L275 HydrophobicContact CZ2-CG 4.33Å; F271-L275 PolarHBondContact O-N 3.49Å; Y272-L275 WeakPolarHBondContact O-CB 3.13Å; Y272-L275 PolarHBondContact O-N 3.49Å; L273-L275 VanDerWaalsContact C-N 3.3Å; L273-L275 PolarHBondContact O-N 3.45Å; L275-I278 PolarHBondContact O-N 3.4Å; L275-N279 WeakPolarHBondContact O-CB 3.31Å; L275-N279 PolarHBondContact O-N 3.16Å; L275-N279 PolarHBondContact O-ND2 2.91Å
276	L	62	Low	53.7	Low	87 Å²	87	83 Å²	83	46%	0.455	44%	0.44	S	S	.	.	H	α-helix	trans	-61.4	-40.9	172.9	-95	160.9	0	0	0	112.3	Y272 L273 T280	Y272-L276 HydrophobicContact CD1-CD1 4.01Å; Y272-L276 HydrophobicContact CE1-CD1 3.89Å; Y272-L276 PolarHBondContact O-N 3.33Å; L273-L276 WeakPolarHBondContact O-CB 3.35Å; L273-L276 PolarHBondContact O-N 3.21Å; L276-T280 WeakPolarHBondContact O-CB 3.48Å; L276-T280 WeakPolarHBondContact O-CG2 3.36Å; L276-T280 PolarHBondContact O-N 3.2Å; L276-T280 PolarHBondContact O-OG1 3.27Å
277	I	62.2	Low	53	Low	93 Å²	93	86 Å²	86	48%	0.477	45%	0.45	S	S	.	.	H	α-helix	trans	-65.4	-46	175.9	-65.6	164.8	0	0	0	110.6	L273 L274 T280 V281	L273-I277 WeakPolarHBondContact O-CG1 3.5Å; L273-I277 PolarHBondContact O-N 2.94Å; L273-I277 VanDerWaalsContact O-N 3.11Å; L274-I277 PolarHBondContact O-N 3.39Å; I277-T280 PolarHBondContact O-N 3.26Å; I277-T280 PolarHBondContact O-OG1 3.27Å; I277-V281 WeakPolarHBondContact O-CG2 3.36Å; I277-V281 PolarHBondContact O-N 3.38Å; I277-V281 VanDerWaalsContact O-N 3.09Å
278	I	55.3	Low	52	Low	53 Å²	53	90.4 Å²	90.4	27%	0.272	46%	0.462	S	S	.	.	H	α-helix	trans	-62	-47.2	177.3	-67.4	166.7	0	0	0	110.9	L274 L275 T280 V281 V282	L274-I278 HydrophobicContact CG-CD1 4.14Å; L274-I278 WeakPolarHBondContact O-CG1 3.41Å; L274-I278 PolarHBondContact O-N 3.45Å; L275-I278 PolarHBondContact O-N 3.4Å; I278-T280 PolarHBondContact O-N 3.44Å; I278-V281 PolarHBondContact O-N 3.36Å; I278-V282 HydrophobicContact CG2-CG2 4.42Å; I278-V282 WeakPolarHBondContact O-CG2 3.46Å; I278-V282 PolarHBondContact O-N 2.91Å
279	N	51.7	Low	51.1	Low	81 Å²	81	91.5 Å²	91.5	43%	0.433	47%	0.471	S	S	.	.	H	α-helix	trans	-65.6	-36.1	-179.3	-76.3	-25.6	0	0	0	113.1	L275 V282 C283	L275-N279 WeakPolarHBondContact O-CB 3.31Å; L275-N279 PolarHBondContact O-N 3.16Å; L275-N279 PolarHBondContact O-ND2 2.91Å; N279-V282 PolarHBondContact O-N 3.29Å; N279-C283 VanDerWaalsContact O-CB 3.25Å; N279-C283 WeakPolarHBondContact O-CB 3.46Å; N279-C283 PolarHBondContact O-N 3.1Å
280	T	56.6	Low	49.9	Very low	75 Å²	75	96.2 Å²	96.2	46%	0.46	48%	0.484	S	S	.	.	H	α-helix	trans	-69.6	-38.6	175.4	46.6	0	0	0	0	112.5	L276 I277 I278 C283 L284	L276-T280 WeakPolarHBondContact O-CB 3.48Å; L276-T280 WeakPolarHBondContact O-CG2 3.36Å; L276-T280 PolarHBondContact O-N 3.2Å; L276-T280 PolarHBondContact O-OG1 3.27Å; I277-T280 PolarHBondContact O-N 3.26Å; I277-T280 PolarHBondContact O-OG1 3.27Å; I278-T280 PolarHBondContact O-N 3.44Å; T280-C283 PolarHBondContact O-N 3.29Å; T280-L284 WeakPolarHBondContact O-CB 3.48Å; T280-L284 WeakPolarHBondContact O-CG 3.17Å; T280-L284 PolarHBondContact O-N 3.13Å
281	V	52.4	Low	48.8	Very low	77 Å²	77	96.4 Å²	96.4	47%	0.467	49%	0.487	S	S	.	.	H	α-helix	trans	-65	-41.3	172.7	172.4	0	0	0	0	111.6	I277 I278 L284 S285	I277-V281 WeakPolarHBondContact O-CG2 3.36Å; I277-V281 PolarHBondContact O-N 3.38Å; I277-V281 VanDerWaalsContact O-N 3.09Å; I278-V281 PolarHBondContact O-N 3.36Å; V281-L284 PolarHBondContact O-N 3.21Å; V281-S285 PolarHBondContact O-N 3.45Å; V281-S285 PolarHBondContact O-OG 3.14Å; V281-S285 VanDerWaalsContact O-OG 3.12Å
282	V	46.9	Very low	48.1	Very low	34 Å²	34	95.7 Å²	95.7	21%	0.206	49%	0.487	C	S	.	.	H	α-helix	trans	-65.5	-41.8	175.4	171.1	0	0	0	0	111.7	I221 I278 N279 S285 T286	I221-V282 HydrophobicContact CD1-CG2 4.23Å; I221-V282 HydrophobicContact CG2-CG2 3.94Å; I278-V282 HydrophobicContact CG2-CG2 4.42Å; I278-V282 WeakPolarHBondContact O-CG2 3.46Å; I278-V282 PolarHBondContact O-N 2.91Å; N279-V282 PolarHBondContact O-N 3.29Å; V282-S285 WeakPolarHBondContact CA-OG 3.33Å; V282-S285 PolarHBondContact O-N 3.47Å; V282-S285 PolarHBondContact O-OG 3.33Å; V282-T286 HydrophobicContact CG1-CG2 4.4Å; V282-T286 WeakPolarHBondContact O-CB 3.49Å; V282-T286 WeakPolarHBondContact O-CG2 3.19Å; V282-T286 PolarHBondContact O-N 3.13Å; V282-T286 PolarHBondContact O-OG1 3.46Å
283	C	42.8	Very low	47.2	Very low	82 Å²	82	93.5 Å²	93.5	55%	0.554	49%	0.486	S	S	*	.	H	α-helix	trans	-63.7	-40.5	175.9	-168.4	0	0	0	0	112.1	N279 T280 T286 K287	N279-C283 VanDerWaalsContact O-CB 3.25Å; N279-C283 WeakPolarHBondContact O-CB 3.46Å; N279-C283 PolarHBondContact O-N 3.1Å; T280-C283 PolarHBondContact O-N 3.29Å; C283-T286 PolarHBondContact O-OG1 2.98Å; C283-K287 WeakPolarHBondContact O-CB 3.45Å; C283-K287 PolarHBondContact O-N 2.93Å
284	L	45.5	Very low	45.9	Very low	109 Å²	109	92.3 Å²	92.3	57%	0.571	48%	0.483	S	S	*	.	H	α-helix	trans	-63.9	-51.7	173.9	-74.6	165.1	0	0	0	111.9	T280 V281 T286 K287 Y288	T280-L284 WeakPolarHBondContact O-CB 3.48Å; T280-L284 WeakPolarHBondContact O-CG 3.17Å; T280-L284 PolarHBondContact O-N 3.13Å; V281-L284 PolarHBondContact O-N 3.21Å; L284-T286 PolarHBondContact O-N 3.01Å; L284-K287 PolarHBondContact O-N 3.17Å; L284-Y288 WeakPolarHBondContact O-CD2 3.31Å; L284-Y288 PolarHBondContact O-N 3.11Å
285	S	42.8	Very low	44.7	Very low	56 Å²	56	91.7 Å²	91.7	39%	0.392	49%	0.486	S	S	.	.	H	α-helix	trans	-60.7	-42.9	-178.8	58.7	0	0	0	0	112.9	V281 V282 K287 Y288 T289	V281-S285 PolarHBondContact O-N 3.45Å; V281-S285 PolarHBondContact O-OG 3.14Å; V281-S285 VanDerWaalsContact O-OG 3.12Å; V282-S285 WeakPolarHBondContact CA-OG 3.33Å; V282-S285 PolarHBondContact O-N 3.47Å; V282-S285 PolarHBondContact O-OG 3.33Å; S285-K287 VanDerWaalsContact C-N 3.33Å; S285-K287 PolarHBondContact O-N 3.46Å; S285-Y288 PolarHBondContact O-N 3.26Å; S285-T289 PolarHBondContact O-N 3.28Å; S285-T289 PolarHBondContact O-OG1 2.91Å
286	T	37.8	Very low	44	Very low	70 Å²	70	95.2 Å²	95.2	43%	0.429	51%	0.505	S	S	.	.	H	α-helix	trans	-67.1	-29.9	177.7	49.9	0	0	0	0	113.7	V282 C283 L284 T289 K290	V282-T286 HydrophobicContact CG1-CG2 4.4Å; V282-T286 WeakPolarHBondContact O-CB 3.49Å; V282-T286 WeakPolarHBondContact O-CG2 3.19Å; V282-T286 PolarHBondContact O-N 3.13Å; V282-T286 PolarHBondContact O-OG1 3.46Å; C283-T286 PolarHBondContact O-OG1 2.98Å; L284-T286 PolarHBondContact O-N 3.01Å; T286-T289 WeakPolarHBondContact CA-OG1 3.44Å; T286-T289 PolarHBondContact O-OG1 3.36Å; T286-K290 PolarHBondContact O-N 3.3Å
287	K	37.4	Very low	42.8	Very low	151 Å²	151	96.3 Å²	96.3	66%	0.657	51%	0.511	S	S	*	.	H	α-helix	trans	-70.7	-36	174.6	-160	171.4	-173.4	179	0	112.2	C283 L284 S285	C283-K287 WeakPolarHBondContact O-CB 3.45Å; C283-K287 PolarHBondContact O-N 2.93Å; L284-K287 PolarHBondContact O-N 3.17Å; S285-K287 VanDerWaalsContact C-N 3.33Å; S285-K287 PolarHBondContact O-N 3.46Å
288	Y	34	Very low	41.5	Very low	171 Å²	171	98 Å²	98	67%	0.671	52%	0.52	S	S	*	.	H	α-helix	trans	-69.9	-44.8	173	-87	-81.8	0	0	0	112.9	L284 S285 K290 H291 I292	L284-Y288 WeakPolarHBondContact O-CD2 3.31Å; L284-Y288 PolarHBondContact O-N 3.11Å; S285-Y288 PolarHBondContact O-N 3.26Å; Y288-K290 VanDerWaalsContact C-N 3.3Å; Y288-K290 PolarHBondContact O-N 3.47Å; Y288-H291 PolarHBondContact O-N 3.06Å; Y288-I292 PolarHBondContact O-N 2.95Å
289	T	37.9	Very low	40.6	Very low	82 Å²	82	101.8 Å²	101.8	50%	0.503	54%	0.54	S	S	.	.	H	α-helix	trans	-66.2	-29.3	-179.3	52.8	0	0	0	0	113.5	S285 T286 N293	S285-T289 PolarHBondContact O-N 3.28Å; S285-T289 PolarHBondContact O-OG1 2.91Å; T286-T289 WeakPolarHBondContact CA-OG1 3.44Å; T286-T289 PolarHBondContact O-OG1 3.36Å; T289-N293 PolarHBondContact O-N 3.41Å
290	K	32.7	Very low	39.9	Very low	161 Å²	161	105 Å²	105	70%	0.7	55%	0.552	S	S	*	*	H	α-helix	trans	-67.7	-36.4	175.1	-84.4	-166.5	171.6	-168.8	0	113	T286 Y288 V294	T286-K290 PolarHBondContact O-N 3.3Å; Y288-K290 VanDerWaalsContact C-N 3.3Å; Y288-K290 PolarHBondContact O-N 3.47Å; K290-V294 VanDerWaalsContact O-CG2 3.3Å; K290-V294 WeakPolarHBondContact O-CG2 3.43Å; K290-V294 PolarHBondContact O-N 3.41Å
291	H	34.6	Very low	38.9	Very low	135 Å²	135	108.1 Å²	108.1	63%	0.625	57%	0.566	S	S	*	*	H	α-helix	trans	-64.9	-43.2	177.5	-98	-80.8	0	0	0	112.3	Y288 S295	Y288-H291 PolarHBondContact O-N 3.06Å; H291-S295 PolarHBondContact O-N 3.14Å; H291-S295 PolarHBondContact O-OG 3.13Å
292	I	39.6	Very low	37.8	Very low	104 Å²	104	114.6 Å²	114.6	53%	0.533	58%	0.582	S	S	.	*	H	α-helix	trans	-65.4	-46.8	-177.2	-62	172.2	0	0	0	111.3	Y288 V294 S295 L296	Y288-I292 PolarHBondContact O-N 2.95Å; I292-V294 PolarHBondContact O-N 2.81Å; I292-S295 PolarHBondContact O-N 2.88Å; I292-L296 HydrophobicContact CG2-CD1 4.42Å; I292-L296 PolarHBondContact O-N 2.83Å
293	N	38.4	Very low	37.1	Very low	108 Å²	108	119.7 Å²	119.7	58%	0.578	61%	0.608	S	S	*	*	H	α-helix	trans	-70.6	-32.2	-177.4	-77	26.6	0	0	0	113.6	T289 L297	T289-N293 PolarHBondContact O-N 3.41Å; N293-L297 PolarHBondContact O-N 2.89Å
294	V	36.5	Very low	36.6	Very low	87 Å²	87	124.3 Å²	124.3	53%	0.527	63%	0.626	S	S	.	*	H	α-helix	trans	-70.3	-35.1	175.2	173	0	0	0	0	111	K290 I292 L298	K290-V294 VanDerWaalsContact O-CG2 3.3Å; K290-V294 WeakPolarHBondContact O-CG2 3.43Å; K290-V294 PolarHBondContact O-N 3.41Å; I292-V294 PolarHBondContact O-N 2.81Å; V294-L298 HydrophobicContact CG1-CD1 3.99Å; V294-L298 WeakPolarHBondContact O-CG 3.37Å; V294-L298 PolarHBondContact O-N 3.28Å
295	S	37.7	Very low	35.6	Very low	73 Å²	73	123.5 Å²	123.5	51%	0.51	63%	0.634	S	S	.	*	H	α-helix	trans	-69.3	-31.1	176.5	-68.9	0	0	0	0	114.2	H291 I292	H291-S295 PolarHBondContact O-N 3.14Å; H291-S295 PolarHBondContact O-OG 3.13Å; I292-S295 PolarHBondContact O-N 2.88Å
296	L	39.2	Very low	34.9	Very low	110 Å²	110	127.3 Å²	127.3	58%	0.576	66%	0.655	S	S	*	*	H	α-helix	trans	-74.7	-46.3	173	-93.7	80.1	0	0	0	112.4	I292 L298 L299	I292-L296 HydrophobicContact CG2-CD1 4.42Å; I292-L296 PolarHBondContact O-N 2.83Å; L296-L298 PolarHBondContact O-N 3.38Å; L296-L298 VanDerWaalsContact O-N 3.07Å; L296-L299 PolarHBondContact O-N 3.27Å
297	L	37.4	Very low	34.5	Very low	111 Å²	111	130.1 Å²	130.1	58%	0.581	67%	0.673	S	S	*	*	H	α-helix	trans	-65.6	-13.4	-176	-76.9	166.9	0	0	0	114.4	N293	N293-L297 PolarHBondContact O-N 2.89Å
298	L	35	Very low	34.2	Very low	128 Å²	128	129.1 Å²	129.1	67%	0.67	68%	0.679	S	S	*	*	H	α-helix	trans	-90.9	-2.5	174	-70.3	171.8	0	0	0	114.1	V294 L296	V294-L298 HydrophobicContact CG1-CD1 3.99Å; V294-L298 WeakPolarHBondContact O-CG 3.37Å; V294-L298 PolarHBondContact O-N 3.28Å; L296-L298 PolarHBondContact O-N 3.38Å; L296-L298 VanDerWaalsContact O-N 3.07Å
299	L	35.5	Very low	33.9	Very low	132 Å²	132	127 Å²	127	69%	0.691	69%	0.686	S	S	*	*	H	α-helix	trans	-103.2	-31	179.3	-84.4	162.5	0	0	0	114	L296	L296-L299 PolarHBondContact O-N 3.27Å
300	E	37.1	Very low	33.6	Very low	149 Å²	149	128.7 Å²	128.7	70%	0.696	70%	0.699	S	S	*	*	H	α-helix	trans	-81.4	-31.5	-179.1	-71.2	178.7	123.4	0	0	113.4	R302	E300-R302 PolarHBondContact O-N 2.96Å
301	N	35.5	Very low	33.5	Very low	141 Å²	141	127 Å²	127	75%	0.754	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	32	-177.4	-74.5	-11.9	0	0	0	114.4
302	R	30.4	Very low	33	Very low	213 Å²	213	127 Å²	127	80%	0.804	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	-3.5	-179.2	-118.1	-179.2	-176.6	-171.7	0.3	115.4	E300	E300-R302 PolarHBondContact O-N 2.96Å
303	N	31.8	Very low	32.5	Very low	141 Å²	141	128.7 Å²	128.7	75%	0.754	73%	0.729	S	S	*	*	S	Bend	trans	-113.6	155.7	172.5	-63	-28.9	0	0	0	109.3
304	I	31.9	Very low	31.9	Very low	179 Å²	179	129.7 Å²	129.7	92%	0.918	74%	0.74	S	S	*	*			trans	72.5	85.7	-174.1	-45.7	169.8	0	0	0	113.1
305	A	25.2	Very low	31.4	Very low	91 Å²	91	131.8 Å²	131.8	75%	0.752	75%	0.753	S	S	*	*			trans	-149.9	109	165.1	0	0	0	0	0	110.7
306	T	27.5	Very low	30.9	Very low	136 Å²	136	134.7 Å²	134.7	83%	0.834	76%	0.763	S	S	*	*			trans	170.5	115.7	153.3	36	0	0	0	0	109.8
307	T	30.2	Very low	30.4	Very low	130 Å²	130	137.3 Å²	137.3	80%	0.798	78%	0.777	S	S	*	*				164.7	115	120.3	44.2	0	0	0	0	112.5
308	T	29.8	Very low	29.9	Very low	129 Å²	129	141.5 Å²	141.5	79%	0.791	79%	0.787	S	S	*	*			trans	48.1	120.2	144.2	57	0	0	0	0	122.5
309	P	28.7	Very low	29.6	Very low	126 Å²	126	142.1 Å²	142.1	82%	0.818	79%	0.788	S	S	*	*			trans	-104.6	151.4	165.8	38.2	-31.1	0	0	0	114.7
310	P	31.2	Very low	29.3	Very low	119 Å²	119	141.5 Å²	141.5	77%	0.773	79%	0.785	S	S	*	*			trans	-97.3	171.2	163.1	36.3	-29.5	0	0	0	112.8
311	P	30.2	Very low	29	Very low	124 Å²	124	139 Å²	139	81%	0.805	78%	0.781	S	S	*	*			trans	-108.1	179.4	-140.6	39.3	-35.2	0	0	0	117.8
312	T	25	Very low	28.8	Very low	135 Å²	135	137.6 Å²	137.6	83%	0.828	77%	0.772	S	S	*	*			trans	-69.7	141.7	-178.3	49.1	0	0	0	0	115
313	T	28	Very low	28.9	Very low	140 Å²	140	130.9 Å²	130.9	86%	0.859	75%	0.754	S	S	*	*			trans	-126.9	142.8	155.8	40.1	0	0	0	0	111.5
314	T	27.1	Very low	28.8	Very low	130 Å²	130	129.6 Å²	129.6	80%	0.798	75%	0.748	S	S	*	*			trans	-52.8	140.1	-172	40.3	0	0	0	0	116.3
315	T	24.8	Very low	28.8	Very low	130 Å²	130	126.8 Å²	126.8	80%	0.798	73%	0.733	S	S	*	*			trans	-79.5	128.6	154.1	47.9	0	0	0	0	109.8
316	D	27.3	Very low	29	Very low	135 Å²	135	127.6 Å²	127.6	72%	0.722	73%	0.725	S	S	*	*			trans	-157.6	-45.6	157.6	-85.6	-46.6	0	0	0	112.1	Y318	D316-Y318 VanDerWaalsContact C-N 3.3Å; D316-Y318 PolarHBondContact O-N 3.46Å
317	D	29.1	Very low	29.1	Very low	164 Å²	164	125.9 Å²	125.9	88%	0.877	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	33.8	-167.3	-62.7	-49	0	0	0	118.8
318	Y	26.8	Very low	29.2	Very low	199 Å²	199	124 Å²	124	78%	0.78	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.7	19.2	-177.7	-136.9	-97.8	0	0	0	117.9	D316	D316-Y318 VanDerWaalsContact C-N 3.3Å; D316-Y318 PolarHBondContact O-N 3.46Å
319	M	29.4	Very low	29.3	Very low	141 Å²	141	121.5 Å²	121.5	70%	0.695	68%	0.683	S	S	*	*	S	Bend	trans	-117.6	-29.7	173.7	-66.9	-66.1	-74.1	0	0	114.1	T321 I322	M319-T321 VanDerWaalsContact C-N 3.33Å; M319-T321 PolarHBondContact O-N 3.44Å; M319-I322 PolarHBondContact O-N 2.98Å
320	D	28.5	Very low	29.4	Very low	119 Å²	119	120.1 Å²	120.1	64%	0.636	67%	0.669	S	S	*	*	H	α-helix	trans	-72	-21.8	-170	-61.6	-14.5	0	0	0	114.5	I322 T323	D320-I322 PolarHBondContact O-N 3.29Å; D320-T323 PolarHBondContact O-N 3.45Å; D320-T323 PolarHBondContact O-OG1 2.84Å
321	T	31	Very low	29.3	Very low	98 Å²	98	120.5 Å²	120.5	60%	0.601	66%	0.664	S	S	*	*	H	α-helix	trans	-75.8	-4	177.7	53.2	0	0	0	0	114.2	M319 I325	M319-T321 VanDerWaalsContact C-N 3.33Å; M319-T321 PolarHBondContact O-N 3.44Å; T321-I325 WeakPolarHBondContact O-CD1 3.49Å
322	I	31.4	Very low	29.3	Very low	110 Å²	110	121.6 Å²	121.6	56%	0.564	66%	0.663	S	S	*	*	H	α-helix	trans	-100.8	-23.4	177.5	-64.8	179.1	0	0	0	111.6	M319 D320	M319-I322 PolarHBondContact O-N 2.98Å; D320-I322 PolarHBondContact O-N 3.29Å
323	T	31.9	Very low	29.4	Very low	72 Å²	72	122.6 Å²	122.6	44%	0.442	66%	0.66	S	S	.	*	H	α-helix	trans	-74.3	-47.8	175	26.8	0	0	0	0	112.7	D320 I325 L326 D327	D320-T323 PolarHBondContact O-N 3.45Å; D320-T323 PolarHBondContact O-OG1 2.84Å; T323-I325 PolarHBondContact O-N 3.44Å; T323-I325 VanDerWaalsContact O-N 3.1Å; T323-L326 PolarHBondContact O-N 3Å; T323-D327 PolarHBondContact O-N 3.19Å; T323-D327 VanDerWaalsContact O-N 3.13Å
324	D	29.3	Very low	29.5	Very low	115 Å²	115	119.3 Å²	119.3	62%	0.615	64%	0.643	S	S	*	*	H	α-helix	trans	-57.8	-31.5	-178.6	-78.7	-4.6	0	0	0	113.6	L326 T328	D324-L326 VanDerWaalsContact C-N 3.34Å; D324-T328 WeakPolarHBondContact O-CB 3.35Å; D324-T328 VanDerWaalsContact O-CG2 3.26Å; D324-T328 WeakPolarHBondContact O-CG2 3.38Å; D324-T328 PolarHBondContact O-N 3.49Å; D324-T328 PolarHBondContact O-OG1 3.43Å
325	I	31.8	Very low	29.5	Very low	119 Å²	119	119.9 Å²	119.9	61%	0.61	64%	0.641	S	S	*	*	H	α-helix	trans	-78.3	-19.7	179.1	-60.9	177.8	0	0	0	111.9	T321 T323 T329	T321-I325 WeakPolarHBondContact O-CD1 3.49Å; T323-I325 PolarHBondContact O-N 3.44Å; T323-I325 VanDerWaalsContact O-N 3.1Å; I325-T329 WeakPolarHBondContact O-CG2 3.5Å
326	L	30.4	Very low	29.7	Very low	109 Å²	109	119.9 Å²	119.9	57%	0.571	64%	0.641	S	S	*	*	H	α-helix	trans	-87.8	-40.8	176.3	-84.2	163	0	0	0	111.9	T323 D324 T329 N330	T323-L326 PolarHBondContact O-N 3Å; D324-L326 VanDerWaalsContact C-N 3.34Å; L326-T329 PolarHBondContact O-N 3.46Å; L326-T329 PolarHBondContact O-OG1 3.32Å; L326-N330 PolarHBondContact O-ND2 3.35Å
327	D	28.6	Very low	29.6	Very low	99 Å²	99	124 Å²	124	53%	0.529	65%	0.648	S	S	.	*	H	α-helix	trans	-76	-38.3	-178.2	-69	-39	0	0	0	112.9	T323 T329 N330	T323-D327 PolarHBondContact O-N 3.19Å; T323-D327 VanDerWaalsContact O-N 3.13Å; D327-T329 PolarHBondContact O-N 3.26Å; D327-N330 PolarHBondContact O-N 3.36Å
328	T	32.3	Very low	29.5	Very low	90 Å²	90	123 Å²	123	55%	0.552	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	-8.8	173.6	53.1	0	0	0	0	114.7	D324	D324-T328 WeakPolarHBondContact O-CB 3.35Å; D324-T328 VanDerWaalsContact O-CG2 3.26Å; D324-T328 WeakPolarHBondContact O-CG2 3.38Å; D324-T328 PolarHBondContact O-N 3.49Å; D324-T328 PolarHBondContact O-OG1 3.43Å
329	T	32.2	Very low	29.5	Very low	77 Å²	77	120.3 Å²	120.3	47%	0.472	64%	0.642	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.4	-4.4	174.4	62.8	0	0	0	0	114.9	I325 L326 D327	I325-T329 WeakPolarHBondContact O-CG2 3.5Å; L326-T329 PolarHBondContact O-N 3.46Å; L326-T329 PolarHBondContact O-OG1 3.32Å; D327-T329 PolarHBondContact O-N 3.26Å
330	N	30.1	Very low	29.5	Very low	98 Å²	98	120.5 Å²	120.5	52%	0.524	65%	0.646	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.4	-42	176.1	-67.8	-47.4	0	0	0	112.3	L326 D327 L332 M333	L326-N330 PolarHBondContact O-ND2 3.35Å; D327-N330 PolarHBondContact O-N 3.36Å; N330-L332 VanDerWaalsContact C-N 3.26Å; N330-L332 PolarHBondContact O-N 3.4Å; N330-M333 PolarHBondContact O-N 3.37Å
331	D	29.1	Very low	29.5	Very low	126 Å²	126	122.3 Å²	122.3	67%	0.674	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-69.1	-18.7	-177	-74	-33.2	0	0	0	114.6	M333 S334	D331-M333 VanDerWaalsContact C-N 3.33Å; D331-S334 PolarHBondContact O-OG 3.44Å; D331-S334 VanDerWaalsContact O-OG 3.11Å
332	L	30.1	Very low	29.4	Very low	147 Å²	147	125.2 Å²	125.2	77%	0.77	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-86.6	4.6	177	-76.2	168	0	0	0	114.2	N330	N330-L332 VanDerWaalsContact C-N 3.26Å; N330-L332 PolarHBondContact O-N 3.4Å
333	M	28.9	Very low	29.2	Very low	156 Å²	156	126.9 Å²	126.9	77%	0.768	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-114.9	5.2	176.4	-69	-158.8	-67.9	0	0	115	N330 D331	N330-M333 PolarHBondContact O-N 3.37Å; D331-M333 VanDerWaalsContact C-N 3.33Å
334	S	28.6	Very low	29	Very low	72 Å²	72	130.2 Å²	130.2	50%	0.503	69%	0.692	S	S	.	*	S	Bend	trans	-89.2	-35.7	174.4	56.1	0	0	0	0	113.3	D331 T336	D331-S334 PolarHBondContact O-OG 3.44Å; D331-S334 VanDerWaalsContact O-OG 3.11Å; S334-T336 PolarHBondContact O-N 3.17Å
335	N	27.9	Very low	28.9	Very low	142 Å²	142	133 Å²	133	76%	0.759	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	59.5	-167.5	-75.5	-47.7	0	0	0	114.5
336	T	29.8	Very low	28.7	Very low	130 Å²	130	135 Å²	135	80%	0.798	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-150.6	25.1	162.1	-18.4	0	0	0	0	114.6	S334 N338	S334-T336 PolarHBondContact O-N 3.17Å; T336-N338 PolarHBondContact O-N 3.01Å
337	Y	25.3	Very low	29.1	Very low	221 Å²	221	136.4 Å²	136.4	87%	0.867	73%	0.727	S	S	*	*			trans	-89.4	90.9	168.2	-115	-89.9	0	0	0	109.9
338	N	25.8	Very low	29.5	Very low	143 Å²	143	137.9 Å²	137.9	77%	0.765	73%	0.73	S	S	*	*			trans	168.2	108.5	148.3	-88.7	-21.4	0	0	0	111.1	T336	T336-N338 PolarHBondContact O-N 3.01Å
339	N	27.8	Very low	30.5	Very low	143 Å²	143	137.6 Å²	137.6	77%	0.765	73%	0.732	S	S	*	*				178.7	139.1	112.1	-92.1	-22.2	0	0	0	113.5
340	N	29.4	Very low	31.7	Very low	144 Å²	144	134.9 Å²	134.9	77%	0.77	72%	0.715	S	S	*	*			trans	59.8	92.8	150.3	-60	-10.3	0	0	0	119.3
341	N	28.1	Very low	32.6	Very low	158 Å²	158	140.3 Å²	140.3	85%	0.845	73%	0.729	S	S	*	*			trans	-22.1	136.9	143	-60.7	-37.3	0	0	0	114.8
342	N	29.4	Very low	33.9	Very low	159 Å²	159	137.9 Å²	137.9	85%	0.85	71%	0.714	S	S	*	*			trans	-150.3	150.6	133.1	-125.6	-43.8	0	0	0	112
343	N	25.8	Very low	35	Very low	145 Å²	145	133.3 Å²	133.3	78%	0.775	69%	0.688	S	S	*	*			trans	-77.3	131.4	-162.9	-70.3	-59.2	0	0	0	113.6
344	N	27.5	Very low	36.1	Very low	142 Å²	142	132.5 Å²	132.5	76%	0.759	68%	0.68	S	S	*	*			trans	-167.9	116.5	143.6	-104.8	-49.7	0	0	0	111.5	Q346	N344-Q346 PolarHBondContact O-N 3.3Å
345	N	27.4	Very low	37.3	Very low	174 Å²	174	130.6 Å²	130.6	93%	0.93	67%	0.666	S	S	*	*			trans	-77.1	58.2	175.6	-85.4	-32.8	0	0	0	112.1	V347	N345-V347 PolarHBondContact O-N 2.86Å
346	Q	28.2	Very low	38.2	Very low	161 Å²	161	126.8 Å²	126.8	75%	0.752	65%	0.649	S	S	*	*			trans	-71.5	123.9	164.2	-72.5	-170.2	-6	0	0	109.3	N344 Q348	N344-Q346 PolarHBondContact O-N 3.3Å; Q346-Q348 PolarHBondContact O-N 3.02Å
347	V	38.7	Very low	39.4	Very low	137 Å²	137	122.9 Å²	122.9	83%	0.83	62%	0.623	S	S	*	*			trans	-66.4	97.4	170.8	179.6	0	0	0	0	107.9	N345 S349	N345-V347 PolarHBondContact O-N 2.86Å; V347-S349 PolarHBondContact O-N 2.8Å
348	Q	37.4	Very low	40.9	Very low	130 Å²	130	118.8 Å²	118.8	61%	0.607	61%	0.612	S	S	*	*			trans	-60.6	94.4	-179	-68.8	-176.5	-7.2	0	0	110.3	Q346 Y472	Q346-Q348 PolarHBondContact O-N 3.02Å; Q348-Y472 HydrophobicContact CB-CE2 4.36Å; Q348-Y472 WeakPolarHBondContact O-CE1 3.11Å; Q348-Y472 PolarHBondContact O-OH 3.42Å
349	S	53.1	Low	42.6	Very low	84 Å²	84	121.1 Å²	121.1	59%	0.587	62%	0.615	S	S	*	*			trans	-63.9	137.7	168.2	55.5	0	0	0	0	109.2	V347 Y351	V347-S349 PolarHBondContact O-N 2.8Å; S349-Y351 PolarHBondContact O-N 3.36Å
350	I	58.4	Low	43.9	Very low	21 Å²	21	121.7 Å²	121.7	11%	0.108	61%	0.607	C	S	.	*			trans	-50.1	129.7	167.1	-54.7	176.2	0	0	0	107.6	H352 V370 V467 Y472 A473	I350-H352 PolarHBondContact O-CE1 3.46Å; I350-H352 PolarHBondContact O-N 3.25Å; I350-H352 PolarHBondContact O-ND1 2.93Å; I350-V370 HydrophobicContact CB-CG2 4.5Å; I350-V370 HydrophobicContact CD1-CB 4.12Å; I350-V370 HydrophobicContact CD1-CG1 3.79Å; I350-V370 HydrophobicContact CD1-CG2 4.45Å; I350-V370 HydrophobicContact CG2-CG2 4.17Å; I350-V467 HydrophobicContact CG2-CG1 3.57Å; I350-V467 HydrophobicContact CG2-CG2 4.39Å; I350-Y472 HydrophobicContact CG1-CD1 4.21Å; I350-Y472 HydrophobicContact CG1-CE1 3.88Å; I350-A473 HydrophobicContact CG2-CB 4.06Å
351	Y	48.2	Very low	45.2	Very low	211 Å²	211	119.5 Å²	119.5	83%	0.827	60%	0.6	S	S	*	*			trans	-65.3	109.1	177.4	-106	-90.1	0	0	0	109.2	S349	S349-Y351 PolarHBondContact O-N 3.36Å
352	H	56.1	Low	46.3	Very low	76 Å²	76	113 Å²	113	35%	0.352	57%	0.567	S	S	.	*			trans	-77.9	128.6	173.7	-65.3	66.8	0	0	0	107.7	I350 K354 D368	I350-H352 PolarHBondContact O-CE1 3.46Å; I350-H352 PolarHBondContact O-N 3.25Å; I350-H352 PolarHBondContact O-ND1 2.93Å; H352-K354 PolarHBondContact O-N 3.16Å; H352-D368 PolarHBondContact CD2-O 2.97Å; H352-D368 PolarHBondContact NE2-O 3.32Å
353	F	52.3	Low	47.2	Very low	51 Å²	51	115 Å²	115	22%	0.224	56%	0.563	C	S	.	*			trans	-68.6	107.2	177.3	-170.6	-75.9	0	0	0	109	I439 N440 L465	F353-I439 HydrophobicContact CD1-CG2 4.21Å; F353-I439 HydrophobicContact CE1-CG2 3.76Å; F353-I439 HydrophobicContact CE2-CG2 4.08Å; F353-I439 HydrophobicContact CZ-CG2 3.71Å; F353-N440 HydrophobicContact CZ-CB 4.19Å; F353-L465 HydrophobicContact CB-CB 3.89Å; F353-L465 HydrophobicContact CD1-CB 4.22Å; F353-L465 HydrophobicContact CD1-CD1 4.27Å; F353-L465 HydrophobicContact CG-CB 4.35Å; F353-L465 WeakPolarHBondContact O-CD1 3.01Å
354	K	53.6	Low	48.6	Very low	138 Å²	138	115.3 Å²	115.3	60%	0.6	55%	0.554	S	S	*	*			trans	-74.2	149.4	170.2	-76.9	-172	169.4	-169.7	0	110.5	H352 E358	H352-K354 PolarHBondContact O-N 3.16Å; K354-E358 WeakPolarHBondContact CD-OE1 3.42Å; K354-E358 WeakPolarHBondContact CE-OE1 3.36Å; K354-E358 IonicContact NZ-OE1 2.94Å; K354-E358 PolarHBondContact NZ-OE1 3.36Å
355	P	52.5	Low	49.9	Very low	33 Å²	33	116.3 Å²	116.3	21%	0.214	56%	0.558	C	S	.	*			trans	-56.8	140.1	163.4	27.2	-34	0	0	0	109.2	D357	P355-D357 PolarHBondContact O-N 2.96Å; P355-D357 VanDerWaalsContact O-N 3.09Å
356	P	48.4	Very low	51.4	Low	62 Å²	62	109 Å²	109	40%	0.403	52%	0.518	S	S	.	.	S	Bend	trans	-72.8	-3.4	-173.2	-13.5	27.6	0	0	0	114.7	W438 N440	P356-W438 HydrophobicContact CB-CH2 3.69Å; P356-W438 HydrophobicContact CB-CZ2 3.59Å; P356-W438 HydrophobicContact CB-CZ3 4.24Å; P356-W438 HydrophobicContact CG-CD2 4.03Å; P356-W438 HydrophobicContact CG-CE3 4.16Å; P356-W438 HydrophobicContact CG-CH2 4.07Å; P356-W438 HydrophobicContact CG-CZ2 3.93Å; P356-W438 HydrophobicContact CG-CZ3 4.18Å; P356-N440 HydrophobicContact CG-CB 4.39Å
357	D	53.6	Low	53.1	Low	47 Å²	47	104.8 Å²	104.8	25%	0.251	50%	0.498	S	S	.	.			trans	-132.3	111.1	169.3	176.2	9.9	0	0	0	108.8	P355 K359 R360 W438	P355-D357 PolarHBondContact O-N 2.96Å; P355-D357 VanDerWaalsContact O-N 3.09Å; D357-K359 PolarHBondContact O-N 3.06Å; D357-K359 WeakPolarHBondContact OD1-CA 3.31Å; D357-K359 VanDerWaalsContact OD1-CB 3.29Å; D357-K359 WeakPolarHBondContact OD1-CB 3.15Å; D357-K359 PolarHBondContact OD1-N 3.31Å; D357-R360 HydrophobicContact CB-CB 4.31Å; D357-R360 CarbonylContact O-C 3.52Å; D357-R360 PolarHBondContact O-N 3.11Å; D357-R360 VanDerWaalsContact O-N 3.15Å; D357-R360 WeakPolarHBondContact OD2-CB 3.28Å; D357-R360 VanDerWaalsContact OD2-CD 3.22Å; D357-R360 WeakPolarHBondContact OD2-CD 3.4Å; D357-R360 WeakPolarHBondContact OD2-CG 3.23Å; D357-R360 IonicContact OD2-NE 2.77Å; D357-W438 HydrophobicContact CB-CZ2 4.41Å
358	E	58.3	Low	54.2	Low	136 Å²	136	105 Å²	105	64%	0.636	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-17.8	178.8	-61.4	-166.8	146	0	0	112.7	K354 R360	K354-E358 WeakPolarHBondContact CD-OE1 3.42Å; K354-E358 WeakPolarHBondContact CE-OE1 3.36Å; K354-E358 IonicContact NZ-OE1 2.94Å; K354-E358 PolarHBondContact NZ-OE1 3.36Å; E358-R360 VanDerWaalsContact C-N 3.31Å
359	K	59.6	Low	55.9	Low	191 Å²	191	100.4 Å²	100.4	83%	0.83	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-8.9	174.7	-54.9	-178.7	-179.5	-179.3	0	112.7	D357	D357-K359 PolarHBondContact O-N 3.06Å; D357-K359 WeakPolarHBondContact OD1-CA 3.31Å; D357-K359 VanDerWaalsContact OD1-CB 3.29Å; D357-K359 WeakPolarHBondContact OD1-CB 3.15Å; D357-K359 PolarHBondContact OD1-N 3.31Å
360	R	55.6	Low	57.3	Low	156 Å²	156	96.5 Å²	96.5	59%	0.589	45%	0.447	S	S	*	.	S	Bend	trans	-130.5	70.5	-179.5	-68.9	-178.5	178.7	-179.1	0	111.3	D357 E358	D357-R360 HydrophobicContact CB-CB 4.31Å; D357-R360 CarbonylContact O-C 3.52Å; D357-R360 PolarHBondContact O-N 3.11Å; D357-R360 VanDerWaalsContact O-N 3.15Å; D357-R360 WeakPolarHBondContact OD2-CB 3.28Å; D357-R360 VanDerWaalsContact OD2-CD 3.22Å; D357-R360 WeakPolarHBondContact OD2-CD 3.4Å; D357-R360 WeakPolarHBondContact OD2-CG 3.23Å; D357-R360 IonicContact OD2-NE 2.77Å; E358-R360 VanDerWaalsContact C-N 3.31Å
361	P	56.1	Low	58.5	Low	98 Å²	98	96.5 Å²	96.5	64%	0.636	45%	0.446	S	S	*	.			trans	-61	151	-179.9	26.2	-35.4	0	0	0	112.6	R363	P361-R363 PolarHBondContact O-N 3.42Å
362	C	52.2	Low	60	Low	20 Å²	20	87.3 Å²	87.3	14%	0.135	41%	0.413	C	S	.	.			trans	-66.7	125	179.8	-67.6	0	0	0	0	111.6	Y364 F366 C437	C362-Y364 CarbonylContact O-C 3.52Å; C362-Y364 PolarHBondContact O-N 3.11Å; C362-Y364 VanDerWaalsContact O-O 3.13Å; C362-F366 HydrophobicContact CB-CD2 4.34Å; C362-F366 HydrophobicContact CB-CE2 3.99Å; C362-C437 HydrophobicContact CB-CB 3.47Å; C362-C437 VanDerWaalsContact CB-CB 3.47Å; C362-C437 WeakPolarHBondContact CB-SG 3.38Å; C362-C437 WeakPolarHBondContact SG-CA 3.5Å; C362-C437 WeakPolarHBondContact SG-CB 3.42Å; C362-C437 CovalentContact SG-SG 2.03Å; C362-C437 PolarHBondContact SG-SG 3.3Å
363	R	48.7	Very low	61.3	Low	203 Å²	203	83.7 Å²	83.7	77%	0.766	40%	0.396	S	S	*	.	S	Bend	trans	-58.6	-20.2	-179.5	-175.8	174.8	-178.6	175.4	4.4	114.6	P361 G435	P361-R363 PolarHBondContact O-N 3.42Å; R363-G435 WeakPolarHBondContact CB-O 3.14Å; R363-G435 VanDerWaalsContact CD-O 3.24Å; R363-G435 WeakPolarHBondContact CD-O 3.45Å
364	Y	53.9	Low	63	Low	151 Å²	151	81.3 Å²	81.3	59%	0.592	39%	0.385	S	S	*	.	S	Bend	trans	-95.4	120.3	162.5	-65.7	-70.8	0	0	0	108.5	C362 F366	C362-Y364 CarbonylContact O-C 3.52Å; C362-Y364 PolarHBondContact O-N 3.11Å; C362-Y364 VanDerWaalsContact O-O 3.13Å; Y364-F366 VanDerWaalsContact O-CD2 3.27Å; Y364-F366 WeakPolarHBondContact O-CD2 3.38Å; Y364-F366 WeakPolarHBondContact O-CE2 3.46Å; Y364-F366 PolarHBondContact O-N 2.87Å
365	L	55.3	Low	64.7	Low	163 Å²	163	76.1 Å²	76.1	85%	0.853	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-59.9	120.7	159.5	-84.1	73.5	0	0	0	107.6
366	F	59.4	Low	66.1	Low	21 Å²	21	77 Å²	77	9%	0.092	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-84.9	168.6	160.3	-65.7	-86.7	0	0	0	107.9	C362 Y364 D368 F428 C437 I462 L465	C362-F366 HydrophobicContact CB-CD2 4.34Å; C362-F366 HydrophobicContact CB-CE2 3.99Å; Y364-F366 VanDerWaalsContact O-CD2 3.27Å; Y364-F366 WeakPolarHBondContact O-CD2 3.38Å; Y364-F366 WeakPolarHBondContact O-CE2 3.46Å; Y364-F366 PolarHBondContact O-N 2.87Å; F366-D368 PolarHBondContact O-N 3.37Å; F366-F428 HydrophobicContact CZ-CE1 4.12Å; F366-F428 HydrophobicContact CZ-CZ 4.43Å; F366-C437 HydrophobicContact CE2-CB 4.14Å; F366-C437 VanDerWaalsContact CE2-SG 3.53Å; F366-C437 HydrophobicContact CZ-CB 4.5Å; F366-I462 HydrophobicContact CD1-CG2 4.4Å; F366-I462 HydrophobicContact CE1-CG2 4.03Å; F366-L465 HydrophobicContact CB-CG 4.25Å; F366-L465 HydrophobicContact CD1-CD2 4.29Å; F366-L465 HydrophobicContact CD1-CG 4.22Å; F366-L465 HydrophobicContact CD2-CD1 4.19Å; F366-L465 HydrophobicContact CD2-CD2 3.76Å; F366-L465 HydrophobicContact CD2-CG 3.81Å; F366-L465 HydrophobicContact CE1-CD2 4.19Å; F366-L465 HydrophobicContact CE2-CD2 3.66Å; F366-L465 HydrophobicContact CE2-CG 4.25Å; F366-L465 HydrophobicContact CG-CD1 4.46Å; F366-L465 HydrophobicContact CG-CD2 4.09Å; F366-L465 HydrophobicContact CG-CG 3.81Å; F366-L465 HydrophobicContact CZ-CD2 3.88Å
367	H	62.7	Low	68	Low	72 Å²	72	74 Å²	74	33%	0.333	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-77	119.6	167.2	-65.3	-54.2	0	0	0	109	D369 T372 S373 Q464	H367-D369 PolarHBondContact O-N 2.83Å; H367-T372 HydrophobicContact CB-CG2 4.01Å; H367-S373 WeakPolarHBondContact CB-OG 3.33Å; H367-Q464 WeakPolarHBondContact O-CG 3.07Å; H367-Q464 PolarHBondContact O-NE2 3.48Å
368	D	62.4	Low	69.6	Low	140 Å²	140	74.4 Å²	74.4	75%	0.749	35%	0.349	S	S	*	.	S	Bend	trans	-73.7	7.5	-178.1	-59.2	-44.1	0	0	0	113.8	H352 F366	H352-D368 PolarHBondContact CD2-O 2.97Å; H352-D368 PolarHBondContact NE2-O 3.32Å; F366-D368 PolarHBondContact O-N 3.37Å
369	D	73.7	Confident	71.2	Confident	35 Å²	35	67.9 Å²	67.9	19%	0.187	32%	0.319	C	S	.	.			trans	-131	127.6	-178.6	165.4	42.1	0	0	0	111.6	H367 E371 T372 S373 Q464	H367-D369 PolarHBondContact O-N 2.83Å; D369-E371 VanDerWaalsContact C-N 3.31Å; D369-E371 PolarHBondContact O-N 3.3Å; D369-E371 WeakPolarHBondContact OD1-CB 3.27Å; D369-E371 PolarHBondContact OD1-N 3.15Å; D369-E371 WeakPolarHBondContact OD2-CB 3.48Å; D369-T372 WeakPolarHBondContact OD2-CB 3.46Å; D369-T372 PolarHBondContact OD2-N 3.45Å; D369-T372 PolarHBondContact OD2-OG1 3.22Å; D369-S373 WeakPolarHBondContact O-CB 3.34Å; D369-S373 PolarHBondContact O-N 3.17Å; D369-S373 PolarHBondContact O-OG 3.22Å; D369-Q464 PolarHBondContact O-NE2 3.26Å
370	V	82.5	Confident	72.8	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.012	28%	0.279	C	S	.	.	H	α-helix	trans	-66.5	-30.3	177.7	178.6	0	0	0	0	111.9	I350 T374 F450 V467 I477	I350-V370 HydrophobicContact CB-CG2 4.5Å; I350-V370 HydrophobicContact CD1-CB 4.12Å; I350-V370 HydrophobicContact CD1-CG1 3.79Å; I350-V370 HydrophobicContact CD1-CG2 4.45Å; I350-V370 HydrophobicContact CG2-CG2 4.17Å; V370-T374 VanDerWaalsContact O-CB 3.24Å; V370-T374 WeakPolarHBondContact O-CB 3.22Å; V370-T374 PolarHBondContact O-N 3.27Å; V370-T374 PolarHBondContact O-OG1 3.03Å; V370-F450 HydrophobicContact CG1-CZ 3.87Å; V370-V467 HydrophobicContact CG2-CG2 3.76Å; V370-I477 HydrophobicContact CG1-CD1 3.97Å; V370-I477 HydrophobicContact CG1-CG1 3.77Å
371	E	84.3	Confident	74.6	Confident	20 Å²	20	51.4 Å²	51.4	9%	0.093	25%	0.251	C	S	.	.	H	α-helix	trans	-66.3	-53.2	176.4	163.7	166.1	-114.3	0	0	111.6	D369 S373 T374 L375 I480 R516 T518	D369-E371 VanDerWaalsContact C-N 3.31Å; D369-E371 PolarHBondContact O-N 3.3Å; D369-E371 WeakPolarHBondContact OD1-CB 3.27Å; D369-E371 PolarHBondContact OD1-N 3.15Å; D369-E371 WeakPolarHBondContact OD2-CB 3.48Å; E371-S373 VanDerWaalsContact C-N 3.3Å; E371-S373 PolarHBondContact O-N 3.35Å; E371-T374 WeakPolarHBondContact O-CB 3.34Å; E371-T374 PolarHBondContact O-N 2.89Å; E371-L375 HydrophobicContact CG-CD1 4.1Å; E371-L375 WeakPolarHBondContact O-CG 3.48Å; E371-L375 PolarHBondContact O-N 2.88Å; E371-I480 HydrophobicContact CB-CD1 3.96Å; E371-I480 HydrophobicContact CB-CG1 4.21Å; E371-I480 HydrophobicContact CB-CG2 4.34Å; E371-I480 HydrophobicContact CG-CG1 4.45Å; E371-I480 HydrophobicContact CG-CG2 4.08Å; E371-R516 IonicContact OE1-CZ 3.18Å; E371-R516 IonicContact OE1-NE 2.82Å; E371-R516 PolarHBondContact OE1-NE 3.29Å; E371-R516 IonicContact OE1-NH2 2.69Å; E371-R516 PolarHBondContact OE1-NH2 3.17Å; E371-T518 PolarHBondContact OE2-OG1 2.84Å
372	T	79.1	Confident	76.4	Confident	19 Å²	19	46.8 Å²	46.8	12%	0.117	22%	0.222	C	C	.	.	H	α-helix	trans	-50.2	-50.6	172	-63.7	0	0	0	0	111.1	H367 D369 T374 L375 L376 P517	H367-T372 HydrophobicContact CB-CG2 4.01Å; D369-T372 WeakPolarHBondContact OD2-CB 3.46Å; D369-T372 PolarHBondContact OD2-N 3.45Å; D369-T372 PolarHBondContact OD2-OG1 3.22Å; T372-T374 PolarHBondContact O-N 3.49Å; T372-L375 PolarHBondContact O-N 3.11Å; T372-L376 HydrophobicContact CG2-CD1 3.51Å; T372-L376 WeakPolarHBondContact O-CB 3.31Å; T372-L376 WeakPolarHBondContact O-CD1 3.46Å; T372-L376 WeakPolarHBondContact O-CG 3.48Å; T372-L376 PolarHBondContact O-N 2.72Å; T372-P517 HydrophobicContact CG2-CB 4.03Å
373	S	83.4	Confident	78.2	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.3	-40.8	-179.9	-52.7	0	0	0	0	113.5	H367 D369 E371 L376 A377 Q464	H367-S373 WeakPolarHBondContact CB-OG 3.33Å; D369-S373 WeakPolarHBondContact O-CB 3.34Å; D369-S373 PolarHBondContact O-N 3.17Å; D369-S373 PolarHBondContact O-OG 3.22Å; E371-S373 VanDerWaalsContact C-N 3.3Å; E371-S373 PolarHBondContact O-N 3.35Å; S373-L376 PolarHBondContact O-N 2.67Å; S373-A377 VanDerWaalsContact O-CB 3.28Å; S373-A377 WeakPolarHBondContact O-CB 3.24Å; S373-A377 PolarHBondContact O-N 3.37Å; S373-Q464 VanDerWaalsContact OG-CB 3.22Å; S373-Q464 WeakPolarHBondContact OG-CB 3.27Å; S373-Q464 PolarHBondContact OG-NE2 3.21Å; S373-Q464 PolarHBondContact OG-OE1 3.48Å
374	T	88.8	Confident	80	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.7	-45.9	176	-58.8	0	0	0	0	111.6	V370 E371 T372 K408 F450 I477 I480 M481	V370-T374 VanDerWaalsContact O-CB 3.24Å; V370-T374 WeakPolarHBondContact O-CB 3.22Å; V370-T374 PolarHBondContact O-N 3.27Å; V370-T374 PolarHBondContact O-OG1 3.03Å; E371-T374 WeakPolarHBondContact O-CB 3.34Å; E371-T374 PolarHBondContact O-N 2.89Å; T372-T374 PolarHBondContact O-N 3.49Å; T374-K408 PolarHBondContact O-NZ 3.5Å; T374-F450 WeakPolarHBondContact OG1-CE1 3.42Å; T374-I477 HydrophobicContact CG2-CG2 3.88Å; T374-I480 HydrophobicContact CG2-CB 4.1Å; T374-I480 HydrophobicContact CG2-CG2 3.67Å; T374-M481 HydrophobicContact CG2-CG 3.34Å; T374-M481 HydrophobicContact CG2-SD 4.24Å
375	L	87.4	Confident	81.4	Confident	30 Å²	30	34.4 Å²	34.4	16%	0.157	17%	0.173	C	C	.	.	H	α-helix	trans	-71.4	-34.9	-177.2	-67.8	176.1	0	0	0	112.2	E371 T372 K408 I480 G484 A485 R516 P517	E371-L375 HydrophobicContact CG-CD1 4.1Å; E371-L375 WeakPolarHBondContact O-CG 3.48Å; E371-L375 PolarHBondContact O-N 2.88Å; T372-L375 PolarHBondContact O-N 3.11Å; L375-K408 VanDerWaalsContact C-NZ 3.3Å; L375-K408 PolarHBondContact O-NZ 3.08Å; L375-I480 HydrophobicContact CD2-CG2 3.97Å; L375-I480 HydrophobicContact CG-CG2 3.91Å; L375-G484 WeakPolarHBondContact CD2-O 3.43Å; L375-A485 HydrophobicContact CD1-CB 4.41Å; L375-A485 HydrophobicContact CD2-CB 4.48Å; L375-R516 HydrophobicContact CD1-CB 4.12Å; L375-P517 HydrophobicContact CB-CG 4.21Å; L375-P517 HydrophobicContact CD1-CG 4.15Å
376	L	83.2	Confident	82.4	Confident	51 Å²	51	29.8 Å²	29.8	27%	0.267	15%	0.149	S	C	.	.	H	α-helix	trans	-90.8	-30.8	-173.9	-64.5	172	0	0	0	115.7	T372 S373 D378 P517 L572	T372-L376 HydrophobicContact CG2-CD1 3.51Å; T372-L376 WeakPolarHBondContact O-CB 3.31Å; T372-L376 WeakPolarHBondContact O-CD1 3.46Å; T372-L376 WeakPolarHBondContact O-CG 3.48Å; T372-L376 PolarHBondContact O-N 2.72Å; S373-L376 PolarHBondContact O-N 2.67Å; L376-D378 PolarHBondContact O-N 3.2Å; L376-P517 HydrophobicContact CD1-CG 4.41Å; L376-P517 HydrophobicContact CD2-CG 4.17Å; L376-P517 HydrophobicContact CG-CG 4.12Å; L376-L572 HydrophobicContact CD1-CD1 3.46Å; L376-L572 VanDerWaalsContact CD1-CD1 3.46Å; L376-L572 HydrophobicContact CD2-CB 3.95Å; L376-L572 HydrophobicContact CD2-CD1 3.57Å; L376-L572 HydrophobicContact CD2-CG 4.41Å; L376-L572 HydrophobicContact CG-CD1 4.15Å
377	A	87.5	Confident	82.7	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.169	C	C	.	.			trans	-63.5	135.5	-178	0	0	0	0	0	111.6	S373 Y379 V380 K408 F450	S373-A377 VanDerWaalsContact O-CB 3.28Å; S373-A377 WeakPolarHBondContact O-CB 3.24Å; S373-A377 PolarHBondContact O-N 3.37Å; A377-Y379 WeakPolarHBondContact CB-O 3.17Å; A377-Y379 PolarHBondContact O-N 3.03Å; A377-V380 HydrophobicContact CB-CG2 4.16Å; A377-K408 WeakPolarHBondContact O-CD 3.41Å; A377-K408 VanDerWaalsContact O-CE 3.26Å; A377-K408 WeakPolarHBondContact O-CE 3.26Å; A377-K408 PolarHBondContact O-NZ 2.9Å; A377-F450 HydrophobicContact CB-CB 3.95Å; A377-F450 HydrophobicContact CB-CD1 4.46Å
378	D	87.7	Confident	82.4	Confident	54 Å²	54	32.7 Å²	32.7	29%	0.289	17%	0.166	S	C	.	.	S	Bend	trans	-59.8	-38.9	173.2	-69.5	-42.7	0	0	0	111.2	L376 I410 L451 N452 Q453	L376-D378 PolarHBondContact O-N 3.2Å; D378-I410 HydrophobicContact CB-CD1 3.57Å; D378-I410 HydrophobicContact CB-CG1 4.29Å; D378-L451 PolarHBondContact N-O 3.48Å; D378-N452 VanDerWaalsContact OD2-CA 3.25Å; D378-N452 WeakPolarHBondContact OD2-CA 3.45Å; D378-Q453 HydrophobicContact CB-CB 4.25Å; D378-Q453 PolarHBondContact OD2-N 2.77Å
379	Y	90.8	Very high	81.8	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	134.5	-179	-79	-88.3	0	0	0	110.6	A377 K408 N409 I410 S413 I417 L451	A377-Y379 WeakPolarHBondContact CB-O 3.17Å; A377-Y379 PolarHBondContact O-N 3.03Å; Y379-K408 WeakPolarHBondContact CA-O 3.32Å; Y379-K408 WeakPolarHBondContact CD1-O 3.5Å; Y379-N409 HydrophobicContact CE1-CB 4.12Å; Y379-N409 WeakPolarHBondContact CE1-OD1 3.3Å; Y379-N409 VanDerWaalsContact CZ-OD1 3.28Å; Y379-N409 PolarHBondContact OH-OD1 2.86Å; Y379-I410 HydrophobicContact CE2-CB 4.35Å; Y379-I410 HydrophobicContact CE2-CD1 4.46Å; Y379-I410 HydrophobicContact CE2-CG1 4.34Å; Y379-S413 VanDerWaalsContact OH-CB 3.27Å; Y379-S413 WeakPolarHBondContact OH-CB 3.22Å; Y379-I417 HydrophobicContact CD1-CB 3.95Å; Y379-I417 HydrophobicContact CD1-CD1 3.74Å; Y379-I417 HydrophobicContact CD1-CG1 4.1Å; Y379-I417 HydrophobicContact CD2-CD1 4.03Å; Y379-I417 HydrophobicContact CE1-CB 3.7Å; Y379-I417 HydrophobicContact CE1-CD1 4.14Å; Y379-I417 HydrophobicContact CE1-CG1 3.99Å; Y379-I417 HydrophobicContact CE2-CD1 4.43Å; Y379-I417 HydrophobicContact CG-CD1 3.68Å; Y379-I417 HydrophobicContact CG-CG1 4.41Å; Y379-L451 PolarHBondContact N-O 2.77Å; Y379-L451 PolarHBondContact O-N 2.99Å
380	V	93.4	Very high	80.5	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	117	168.3	-176.7	0	0	0	0	106.3	A377 L407 K408 I448 F449 F450 I477	A377-V380 HydrophobicContact CB-CG2 4.16Å; V380-L407 HydrophobicContact CB-CB 4.26Å; V380-L407 HydrophobicContact CG1-CB 4.15Å; V380-L407 HydrophobicContact CG1-CD1 4.23Å; V380-L407 WeakPolarHBondContact O-CA 3.47Å; V380-L407 WeakPolarHBondContact O-CB 3.39Å; V380-L407 PolarHBondContact O-N 3.2Å; V380-K408 HydrophobicContact CB-CB 3.77Å; V380-K408 HydrophobicContact CG2-CB 3.85Å; V380-K408 HydrophobicContact CG2-CD 3.88Å; V380-K408 PolarHBondContact N-O 3.2Å; V380-K408 PolarHBondContact O-N 2.79Å; V380-K408 VanDerWaalsContact O-N 3.07Å; V380-I448 HydrophobicContact CG1-CG2 3.87Å; V380-F449 WeakPolarHBondContact CA-O 3.37Å; V380-F450 HydrophobicContact CG1-CD1 4.1Å; V380-F450 HydrophobicContact CG1-CE1 3.87Å; V380-F450 HydrophobicContact CG2-CD1 3.89Å; V380-F450 HydrophobicContact CG2-CE1 4.24Å; V380-I477 HydrophobicContact CG1-CG2 4.2Å
381	I	93.5	Very high	78.6	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	156.7	-172.1	65.6	173	0	0	0	111.2	L401 V403 N405 I406 I417 I423 I448 F449 L451	I381-L401 HydrophobicContact CD1-CD2 3.54Å; I381-L401 HydrophobicContact CG1-CD2 4.1Å; I381-V403 HydrophobicContact CB-CG1 4.4Å; I381-V403 HydrophobicContact CD1-CG1 4.43Å; I381-V403 HydrophobicContact CD1-CG2 3.94Å; I381-N405 WeakPolarHBondContact CA-O 3.43Å; I381-I406 HydrophobicContact CG2-CB 4.34Å; I381-I406 HydrophobicContact CG2-CG1 4.06Å; I381-I406 HydrophobicContact CG2-CG2 4.15Å; I381-I417 HydrophobicContact CG2-CG2 4.18Å; I381-I423 HydrophobicContact CD1-CD1 4.35Å; I381-I448 CarbonylContact O-C 3.54Å; I381-I448 WeakPolarHBondContact O-CA 3.26Å; I381-F449 HydrophobicContact CG1-CB 4.03Å; I381-F449 PolarHBondContact N-O 2.85Å; I381-F449 PolarHBondContact O-N 2.8Å; I381-L451 HydrophobicContact CD1-CD1 3.47Å; I381-L451 VanDerWaalsContact CD1-CD1 3.47Å; I381-L451 HydrophobicContact CG1-CD1 4.02Å
382	I	93.8	Very high	76.7	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131	174.2	-36.3	-176	0	0	0	108.8	T404 N405 L407 K446 Y447 I448 Y469 Y474	I382-T404 PolarHBondContact O-N 3.4Å; I382-T404 PolarHBondContact O-OG1 3.41Å; I382-N405 HydrophobicContact CB-CB 4.3Å; I382-N405 HydrophobicContact CD1-CB 4.24Å; I382-N405 HydrophobicContact CG1-CB 4.2Å; I382-N405 PolarHBondContact N-O 3.13Å; I382-N405 PolarHBondContact O-N 2.95Å; I382-N405 VanDerWaalsContact O-N 3.16Å; I382-L407 HydrophobicContact CD1-CD1 3.97Å; I382-L407 HydrophobicContact CD1-CD2 3.98Å; I382-L407 HydrophobicContact CD1-CG 4.2Å; I382-L407 HydrophobicContact CG1-CD1 3.91Å; I382-L407 HydrophobicContact CG1-CD2 4.17Å; I382-L407 HydrophobicContact CG1-CG 3.95Å; I382-K446 HydrophobicContact CG2-CD 3.94Å; I382-K446 HydrophobicContact CG2-CG 3.64Å; I382-Y447 WeakPolarHBondContact CA-O 3.45Å; I382-Y447 WeakPolarHBondContact CG2-O 3.04Å; I382-I448 HydrophobicContact CG1-CG1 4.29Å; I382-I448 HydrophobicContact CG2-CG1 4.2Å; I382-Y469 HydrophobicContact CD1-CD2 3.89Å; I382-Y469 HydrophobicContact CD1-CE2 3.68Å; I382-Y469 HydrophobicContact CG2-CD2 3.74Å; I382-Y469 HydrophobicContact CG2-CE2 4.41Å; I382-Y469 HydrophobicContact CG2-CG 4.31Å; I382-Y474 HydrophobicContact CD1-CD2 4Å; I382-Y474 HydrophobicContact CD1-CE2 4.27Å
383	G	90.8	Very high	74.5	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	175.4	-178.5	0	0	0	0	0	115.1	L402 Y447	G383-L402 CarbonylContact C-O 3.19Å; G383-L402 WeakPolarHBondContact CA-O 3.37Å; G383-Y447 PolarHBondContact N-O 2.98Å; G383-Y447 PolarHBondContact O-N 3.1Å
384	W	87.3	Confident	72.3	Confident	98 Å²	98	70.3 Å²	70.3	37%	0.371	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.8	176.6	-57	101.6	0	0	0	110.6	I386 L401 L402 K445 K446	W384-I386 PolarHBondContact O-N 3.42Å; W384-L401 WeakPolarHBondContact O-CD1 3.09Å; W384-L402 PolarHBondContact N-O 3.42Å; W384-L402 PolarHBondContact O-N 2.99Å; W384-K445 VanDerWaalsContact CZ3-C 3.41Å; W384-K446 HydrophobicContact CD2-CB 4.25Å; W384-K446 HydrophobicContact CE3-CB 3.98Å; W384-K446 HydrophobicContact CH2-CB 3.88Å; W384-K446 HydrophobicContact CZ2-CB 4.14Å; W384-K446 HydrophobicContact CZ2-CD 4.26Å; W384-K446 HydrophobicContact CZ2-CG 4.43Å; W384-K446 HydrophobicContact CZ3-CB 3.8Å; W384-K446 VanDerWaalsContact CZ3-N 3.32Å
385	P	82	Confident	69.9	Low	15 Å²	15	71.7 Å²	71.7	10%	0.097	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	122.8	175.7	32.4	-35.4	0	0	0	110.5	I399 V441 K442 K445	P385-I399 HydrophobicContact CB-CG2 4.21Å; P385-V441 HydrophobicContact CB-CG1 3.93Å; P385-V441 HydrophobicContact CG-CG1 3.75Å; P385-K442 WeakPolarHBondContact CG-O 3.42Å; P385-K445 WeakPolarHBondContact CD-O 3.47Å
386	I	77.8	Confident	67.7	Low	67 Å²	67	71.3 Å²	71.3	34%	0.344	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	123.9	177.2	-58.3	-172.6	0	0	0	109.5	W384 T388 S400 L402 L422	W384-I386 PolarHBondContact O-N 3.42Å; I386-T388 HydrophobicContact CG2-CG2 4.09Å; I386-T388 PolarHBondContact O-N 2.81Å; I386-S400 PolarHBondContact N-O 3.23Å; I386-S400 PolarHBondContact O-N 2.72Å; I386-S400 VanDerWaalsContact O-N 3.1Å; I386-L402 HydrophobicContact CD1-CB 3.69Å; I386-L402 HydrophobicContact CD1-CD2 4.36Å; I386-L402 HydrophobicContact CG1-CB 4.36Å; I386-L422 HydrophobicContact CB-CD1 4.44Å; I386-L422 HydrophobicContact CD1-CD1 4.12Å
387	Q	65.2	Low	66	Low	110 Å²	110	74.2 Å²	74.2	51%	0.514	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	97.6	176.2	-173.5	-173.8	-0.9	0	0	110.1	L396	Q387-L396 HydrophobicContact CG-CD1 4.02Å; Q387-L396 HydrophobicContact CG-CD2 3.6Å; Q387-L396 HydrophobicContact CG-CG 4.42Å
388	T	56.2	Low	64.5	Low	44 Å²	44	76.3 Å²	76.3	27%	0.27	34%	0.342	S	S	.	.			trans	-92.3	-8.7	-171.5	36.8	0	0	0	0	116.9	I386 S400 L422	I386-T388 HydrophobicContact CG2-CG2 4.09Å; I386-T388 PolarHBondContact O-N 2.81Å; T388-S400 WeakPolarHBondContact CG2-OG 3.15Å; T388-S400 WeakPolarHBondContact OG1-CB 3.48Å; T388-S400 PolarHBondContact OG1-OG 3.37Å; T388-L422 HydrophobicContact CG2-CD2 4.2Å
389	Y	49.2	Very low	63.4	Low	138 Å²	138	75 Å²	75	54%	0.541	34%	0.335	S	S	.	.			trans	-143.3	115.7	175	-74.4	-75.6	0	0	0	112.2	L396	Y389-L396 WeakPolarHBondContact O-CD2 3.41Å
390	R	46.9	Very low	62.8	Low	221 Å²	221	75 Å²	75	83%	0.834	34%	0.335	S	S	*	.			trans	-109.1	76.7	174.3	-164	-179.6	-169.4	-174.2	4.3	109.7	R392	R390-R392 PolarHBondContact O-N 2.82Å
391	K	42.4	Very low	62.3	Low	174 Å²	174	75 Å²	75	76%	0.757	34%	0.335	S	S	*	.			trans	-60.7	134.7	165	-84.6	-163.5	171.2	-169.8	0	107.9	F393	K391-F393 PolarHBondContact O-N 2.85Å
392	R	43.8	Very low	62	Low	239 Å²	239	77.8 Å²	77.8	90%	0.902	35%	0.35	S	S	*	.	S	Bend	trans	-61	-27	-173.8	-73.2	-174.1	176.7	-179	-0.9	113	R390	R390-R392 PolarHBondContact O-N 2.82Å
393	F	33.8	Very low	61.9	Low	190 Å²	190	77.7 Å²	77.7	83%	0.833	35%	0.349	S	S	*	.	S	Bend	trans	-136.4	136.4	168.5	-58.8	-83.1	0	0	0	109.7	K391	K391-F393 PolarHBondContact O-N 2.85Å
394	G	37.7	Very low	62	Low	43 Å²	43	79.2 Å²	79.2	44%	0.443	36%	0.359	S	S	.	.	S	Bend	trans	114.4	166.4	175.1	0	0	0	0	0	115.1
395	P	38.3	Very low	62.3	Low	30 Å²	30	77.4 Å²	77.4	20%	0.195	36%	0.356	C	S	.	.			trans	-68	152.7	-173.4	-21.2	33.5	0	0	0	115.1	Y397 S429 F431	P395-Y397 HydrophobicContact CB-CD2 4.49Å; P395-Y397 HydrophobicContact CB-CE1 4.45Å; P395-Y397 HydrophobicContact CB-CE2 3.98Å; P395-Y397 HydrophobicContact CG-CE2 4.18Å; P395-Y397 WeakPolarHBondContact O-CD2 3.27Å; P395-Y397 WeakPolarHBondContact O-CE2 3.35Å; P395-Y397 PolarHBondContact O-N 3.43Å; P395-S429 WeakPolarHBondContact CB-OG 3.41Å; P395-F431 HydrophobicContact CB-CB 4.16Å; P395-F431 HydrophobicContact CB-CD2 3.92Å; P395-F431 HydrophobicContact CB-CG 4.35Å; P395-F431 HydrophobicContact CG-CB 3.96Å; P395-F431 HydrophobicContact CG-CD2 4.2Å; P395-F431 HydrophobicContact CG-CG 4.22Å
396	L	40.7	Very low	62.8	Low	22 Å²	22	78.4 Å²	78.4	12%	0.115	36%	0.36	C	S	.	.			trans	-65.3	116.4	161.3	-86.9	158.8	0	0	0	109.1	Q387 Y389 S429 I430	Q387-L396 HydrophobicContact CG-CD1 4.02Å; Q387-L396 HydrophobicContact CG-CD2 3.6Å; Q387-L396 HydrophobicContact CG-CG 4.42Å; Y389-L396 WeakPolarHBondContact O-CD2 3.41Å; L396-S429 WeakPolarHBondContact O-CA 2.97Å; L396-I430 HydrophobicContact CB-CG1 4.47Å; L396-I430 HydrophobicContact CD1-CB 4.42Å; L396-I430 HydrophobicContact CD1-CD1 3.5Å; L396-I430 HydrophobicContact CD1-CG1 3.82Å
397	Y	48.2	Very low	63.5	Low	111 Å²	111	76.6 Å²	76.6	44%	0.435	35%	0.351	S	S	.	.			trans	-100	-17.2	179.6	-75.8	-72.9	0	0	0	114.5	P395 Q427	P395-Y397 HydrophobicContact CB-CD2 4.49Å; P395-Y397 HydrophobicContact CB-CE1 4.45Å; P395-Y397 HydrophobicContact CB-CE2 3.98Å; P395-Y397 HydrophobicContact CG-CE2 4.18Å; P395-Y397 WeakPolarHBondContact O-CD2 3.27Å; P395-Y397 WeakPolarHBondContact O-CE2 3.35Å; P395-Y397 PolarHBondContact O-N 3.43Å; Y397-Q427 WeakPolarHBondContact O-CA 3.49Å
398	N	54.9	Low	64.8	Low	45 Å²	45	74.1 Å²	74.1	24%	0.241	34%	0.339	C	S	.	.			trans	-137.9	123.2	177.9	-64.2	-49.3	0	0	0	109.8
399	I	64.5	Low	66.5	Low	26 Å²	26	76.3 Å²	76.3	13%	0.133	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	132.2	162	-60.6	175.2	0	0	0	106.6	P385 I425 F428	P385-I399 HydrophobicContact CB-CG2 4.21Å; I399-I425 PolarHBondContact O-N 3.42Å; I399-F428 HydrophobicContact CD1-CB 4.05Å
400	S	77.6	Confident	68.2	Low	1 Å²	1	72 Å²	72	1%	0.007	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	148.6	168.2	-58.8	0	0	0	0	110	I386 T388 I423	I386-S400 PolarHBondContact N-O 3.23Å; I386-S400 PolarHBondContact O-N 2.72Å; I386-S400 VanDerWaalsContact O-N 3.1Å; T388-S400 WeakPolarHBondContact CG2-OG 3.15Å; T388-S400 WeakPolarHBondContact OG1-CB 3.48Å; T388-S400 PolarHBondContact OG1-OG 3.37Å; S400-I423 CarbonylContact C-O 3.56Å; S400-I423 WeakPolarHBondContact CA-O 3.5Å
401	L	82.9	Confident	69.7	Low	0 Å²	0	69.6 Å²	69.6	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	125	-179.6	-169.7	79.9	0	0	0	110.3	I381 W384 V403 L422 I423 I425 F449	I381-L401 HydrophobicContact CD1-CD2 3.54Å; I381-L401 HydrophobicContact CG1-CD2 4.1Å; W384-L401 WeakPolarHBondContact O-CD1 3.09Å; L401-V403 HydrophobicContact CD2-CG2 4.49Å; L401-V403 PolarHBondContact O-N 3.09Å; L401-L422 CarbonylContact O-C 3.57Å; L401-L422 WeakPolarHBondContact O-CA 3.39Å; L401-I423 PolarHBondContact N-O 3.41Å; L401-I423 PolarHBondContact O-N 3.3Å; L401-I425 HydrophobicContact CB-CD1 3.8Å; L401-I425 HydrophobicContact CB-CG1 4.35Å; L401-I425 HydrophobicContact CD2-CD1 4.2Å; L401-I425 HydrophobicContact CG-CD1 4.43Å; L401-F449 HydrophobicContact CD1-CD2 3.78Å; L401-F449 HydrophobicContact CD1-CE1 4.16Å; L401-F449 HydrophobicContact CD1-CE2 3.18Å; L401-F449 HydrophobicContact CD1-CG 4.49Å; L401-F449 HydrophobicContact CD1-CZ 3.42Å; L401-F449 VanDerWaalsContact CD1-CZ 3.42Å; L401-F449 HydrophobicContact CD2-CD2 3.71Å; L401-F449 HydrophobicContact CD2-CE2 4.03Å; L401-F449 HydrophobicContact CD2-CG 4.1Å; L401-F449 HydrophobicContact CG-CD2 4.42Å; L401-F449 HydrophobicContact CG-CE2 4.25Å
402	L	88.7	Confident	71.4	Confident	57 Å²	57	70.2 Å²	70.2	30%	0.298	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	113.4	164	177.2	61	0	0	0	108.7	G383 W384 I386	G383-L402 CarbonylContact C-O 3.19Å; G383-L402 WeakPolarHBondContact CA-O 3.37Å; W384-L402 PolarHBondContact N-O 3.42Å; W384-L402 PolarHBondContact O-N 2.99Å; I386-L402 HydrophobicContact CD1-CB 3.69Å; I386-L402 HydrophobicContact CD1-CD2 4.36Å; I386-L402 HydrophobicContact CG1-CB 4.36Å
403	V	91.3	Very high	73	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	125.2	-179	-175.2	0	0	0	0	110.1	I381 L401 I406 I417 R418 N420 H421 I423	I381-V403 HydrophobicContact CB-CG1 4.4Å; I381-V403 HydrophobicContact CD1-CG1 4.43Å; I381-V403 HydrophobicContact CD1-CG2 3.94Å; L401-V403 HydrophobicContact CD2-CG2 4.49Å; L401-V403 PolarHBondContact O-N 3.09Å; V403-I406 HydrophobicContact CG1-CG1 3.95Å; V403-I417 HydrophobicContact CG1-CG2 4.29Å; V403-I417 HydrophobicContact CG2-CG2 4.25Å; V403-R418 WeakPolarHBondContact CB-O 3.46Å; V403-N420 WeakPolarHBondContact O-CA 3.39Å; V403-N420 PolarHBondContact O-N 2.82Å; V403-H421 PolarHBondContact N-O 2.85Å; V403-I423 HydrophobicContact CG2-CD1 3.56Å; V403-I423 HydrophobicContact CG2-CG1 3.9Å
404	T	92.4	Very high	75.1	Confident	33 Å²	33	55.6 Å²	55.6	20%	0.202	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-28.4	178.2	61.6	0	0	0	0	113.6	I382 K446	I382-T404 PolarHBondContact O-N 3.4Å; I382-T404 PolarHBondContact O-OG1 3.41Å; T404-K446 WeakPolarHBondContact OG1-CE 3.07Å
405	N	93.7	Very high	77.2	Confident	59 Å²	59	57.1 Å²	57.1	32%	0.316	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	153.5	177.8	-163	-3.9	0	0	0	110	I381 I382	I381-N405 WeakPolarHBondContact CA-O 3.43Å; I382-N405 HydrophobicContact CB-CB 4.3Å; I382-N405 HydrophobicContact CD1-CB 4.24Å; I382-N405 HydrophobicContact CG1-CB 4.2Å; I382-N405 PolarHBondContact N-O 3.13Å; I382-N405 PolarHBondContact O-N 2.95Å; I382-N405 VanDerWaalsContact O-N 3.16Å
406	I	92.8	Very high	79.4	Confident	37 Å²	37	59.2 Å²	59.2	19%	0.19	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	111.6	-179.5	-59.1	170.5	0	0	0	107.7	I381 V403 K408 N409 I417 I419	I381-I406 HydrophobicContact CG2-CB 4.34Å; I381-I406 HydrophobicContact CG2-CG1 4.06Å; I381-I406 HydrophobicContact CG2-CG2 4.15Å; V403-I406 HydrophobicContact CG1-CG1 3.95Å; I406-K408 WeakPolarHBondContact CG2-O 3.5Å; I406-N409 HydrophobicContact CG2-CB 3.95Å; I406-I417 HydrophobicContact CD1-CG2 3.84Å; I406-I417 WeakPolarHBondContact CD1-O 3.45Å; I406-I417 HydrophobicContact CG1-CG2 4.17Å; I406-I419 HydrophobicContact CD1-CG1 3.98Å; I406-I419 HydrophobicContact CG1-CG1 4.01Å
407	L	93	Very high	81.6	Confident	28 Å²	28	58.7 Å²	58.7	15%	0.147	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-29	-176.9	-51.9	-170.9	0	0	0	112.2	V380 I382 I448 Y474 I477 M481	V380-L407 HydrophobicContact CB-CB 4.26Å; V380-L407 HydrophobicContact CG1-CB 4.15Å; V380-L407 HydrophobicContact CG1-CD1 4.23Å; V380-L407 WeakPolarHBondContact O-CA 3.47Å; V380-L407 WeakPolarHBondContact O-CB 3.39Å; V380-L407 PolarHBondContact O-N 3.2Å; I382-L407 HydrophobicContact CD1-CD1 3.97Å; I382-L407 HydrophobicContact CD1-CD2 3.98Å; I382-L407 HydrophobicContact CD1-CG 4.2Å; I382-L407 HydrophobicContact CG1-CD1 3.91Å; I382-L407 HydrophobicContact CG1-CD2 4.17Å; I382-L407 HydrophobicContact CG1-CG 3.95Å; L407-I448 HydrophobicContact CD1-CG2 4.49Å; L407-Y474 HydrophobicContact CD1-CD2 4.15Å; L407-Y474 HydrophobicContact CD1-CE2 4.24Å; L407-Y474 HydrophobicContact CD2-CD2 4.45Å; L407-Y474 HydrophobicContact CD2-CE2 3.78Å; L407-I477 HydrophobicContact CD1-CG2 4.3Å; L407-M481 HydrophobicContact CB-CE 3.85Å; L407-M481 HydrophobicContact CB-SD 4.37Å; L407-M481 WeakPolarHBondContact O-CE 3.33Å
408	K	92.8	Very high	83.5	Confident	59 Å²	59	60.3 Å²	60.3	26%	0.257	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	138.2	176.6	-166.3	-174.3	-176.1	-171.5	0	109.6	T374 L375 A377 Y379 V380 I406 M481	T374-K408 PolarHBondContact O-NZ 3.5Å; L375-K408 VanDerWaalsContact C-NZ 3.3Å; L375-K408 PolarHBondContact O-NZ 3.08Å; A377-K408 WeakPolarHBondContact O-CD 3.41Å; A377-K408 VanDerWaalsContact O-CE 3.26Å; A377-K408 WeakPolarHBondContact O-CE 3.26Å; A377-K408 PolarHBondContact O-NZ 2.9Å; Y379-K408 WeakPolarHBondContact CA-O 3.32Å; Y379-K408 WeakPolarHBondContact CD1-O 3.5Å; V380-K408 HydrophobicContact CB-CB 3.77Å; V380-K408 HydrophobicContact CG2-CB 3.85Å; V380-K408 HydrophobicContact CG2-CD 3.88Å; V380-K408 PolarHBondContact N-O 3.2Å; V380-K408 PolarHBondContact O-N 2.79Å; V380-K408 VanDerWaalsContact O-N 3.07Å; I406-K408 WeakPolarHBondContact CG2-O 3.5Å; K408-M481 HydrophobicContact CB-SD 3.93Å; K408-M481 HydrophobicContact CG-SD 4.48Å
409	N	90.3	Very high	85.3	Confident	89 Å²	89	62 Å²	62	48%	0.476	30%	0.299	S	S	.	.			trans	-145.4	151.4	-172.7	-175.6	12	0	0	0	110.5	Y379 I406	Y379-N409 HydrophobicContact CE1-CB 4.12Å; Y379-N409 WeakPolarHBondContact CE1-OD1 3.3Å; Y379-N409 VanDerWaalsContact CZ-OD1 3.28Å; Y379-N409 PolarHBondContact OH-OD1 2.86Å; I406-N409 HydrophobicContact CG2-CB 3.95Å
410	I	86.1	Confident	86.4	Confident	49 Å²	49	66.6 Å²	66.6	25%	0.251	32%	0.324	S	S	.	.			trans	-94.6	126.2	170.8	-67	-177.5	0	0	0	109.8	D378 Y379 Y412 Q453	D378-I410 HydrophobicContact CB-CD1 3.57Å; D378-I410 HydrophobicContact CB-CG1 4.29Å; Y379-I410 HydrophobicContact CE2-CB 4.35Å; Y379-I410 HydrophobicContact CE2-CD1 4.46Å; Y379-I410 HydrophobicContact CE2-CG1 4.34Å; I410-Y412 PolarHBondContact O-N 2.98Å; I410-Q453 HydrophobicContact CD1-CB 4.39Å
411	Q	77.1	Confident	86.8	Confident	170 Å²	170	70.8 Å²	70.8	79%	0.794	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-32.2	179.3	-69.9	-179.8	-19.7	0	0	114.2
412	Y	78.4	Confident	86.9	Confident	187 Å²	187	75.2 Å²	75.2	73%	0.733	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.2	50.5	-172.4	-56.2	-72.2	0	0	0	112.7	I410	I410-Y412 PolarHBondContact O-N 2.98Å
413	S	78.1	Confident	86.6	Confident	19 Å²	19	73.3 Å²	73.3	13%	0.133	36%	0.357	C	S	.	.			trans	-83	132.8	172.6	-169	0	0	0	0	112.3	Y379 F415 Q453	Y379-S413 VanDerWaalsContact OH-CB 3.27Å; Y379-S413 WeakPolarHBondContact OH-CB 3.22Å; S413-F415 PolarHBondContact O-N 3.46Å; S413-F415 VanDerWaalsContact OG-C 3.23Å; S413-F415 PolarHBondContact OG-N 3.29Å; S413-F415 PolarHBondContact OG-O 2.94Å; S413-Q453 PolarHBondContact OG-NE2 2.91Å
414	I	77.8	Confident	85.7	Confident	102 Å²	102	79.3 Å²	79.3	52%	0.523	38%	0.379	S	S	.	.	S	Bend	trans	-64.6	-30.3	169.9	-57.8	177	0	0	0	110.5	W456	I414-W456 HydrophobicContact CD1-CH2 3.57Å; I414-W456 HydrophobicContact CD1-CZ2 4.04Å; I414-W456 HydrophobicContact CD1-CZ3 4.19Å
415	F	80.8	Confident	84.7	Confident	75 Å²	75	77.9 Å²	77.9	33%	0.329	37%	0.37	S	S	.	.	S	Bend	trans	-123.2	85.3	176.7	-58	-74.1	0	0	0	108.4	S413 P454 D455 W456	S413-F415 PolarHBondContact O-N 3.46Å; S413-F415 VanDerWaalsContact OG-C 3.23Å; S413-F415 PolarHBondContact OG-N 3.29Å; S413-F415 PolarHBondContact OG-O 2.94Å; F415-P454 HydrophobicContact CB-CB 3.91Å; F415-P454 HydrophobicContact CB-CG 4.09Å; F415-D455 WeakPolarHBondContact CD2-O 3.48Å; F415-D455 WeakPolarHBondContact CE2-O 3.4Å; F415-W456 HydrophobicContact CE2-CE3 4.3Å; F415-W456 HydrophobicContact CZ-CE3 4.5Å
416	P	85.2	Confident	83	Confident	74 Å²	74	76 Å²	76	48%	0.481	37%	0.366	S	S	.	.			trans	-75.9	128	-178	29.3	-33.6	0	0	0	111.2
417	I	87.3	Confident	81.2	Confident	11 Å²	11	80.1 Å²	80.1	6%	0.056	38%	0.384	C	S	.	.			trans	-68.6	138.4	170.8	-66.1	-176	0	0	0	109.5	Y379 I381 V403 I406 I423 L451 P454	Y379-I417 HydrophobicContact CD1-CB 3.95Å; Y379-I417 HydrophobicContact CD1-CD1 3.74Å; Y379-I417 HydrophobicContact CD1-CG1 4.1Å; Y379-I417 HydrophobicContact CD2-CD1 4.03Å; Y379-I417 HydrophobicContact CE1-CB 3.7Å; Y379-I417 HydrophobicContact CE1-CD1 4.14Å; Y379-I417 HydrophobicContact CE1-CG1 3.99Å; Y379-I417 HydrophobicContact CE2-CD1 4.43Å; Y379-I417 HydrophobicContact CG-CD1 3.68Å; Y379-I417 HydrophobicContact CG-CG1 4.41Å; I381-I417 HydrophobicContact CG2-CG2 4.18Å; V403-I417 HydrophobicContact CG1-CG2 4.29Å; V403-I417 HydrophobicContact CG2-CG2 4.25Å; I406-I417 HydrophobicContact CD1-CG2 3.84Å; I406-I417 WeakPolarHBondContact CD1-O 3.45Å; I406-I417 HydrophobicContact CG1-CG2 4.17Å; I417-I423 HydrophobicContact CB-CD1 4.02Å; I417-I423 HydrophobicContact CD1-CD1 3.58Å; I417-I423 HydrophobicContact CG1-CD1 3.53Å; I417-I423 HydrophobicContact CG2-CD1 3.55Å; I417-L451 HydrophobicContact CD1-CD1 4.14Å; I417-P454 HydrophobicContact CD1-CG 4.45Å; I417-P454 HydrophobicContact CG1-CG 4.24Å
418	R	88.5	Confident	79.2	Confident	146 Å²	146	79.9 Å²	79.9	55%	0.551	38%	0.382	S	S	*	.			trans	-127.6	153.1	-178.3	-67.8	175.5	177	-178.8	-1.9	110.9	V403 H421	V403-R418 WeakPolarHBondContact CB-O 3.46Å; R418-H421 HydrophobicContact CB-CB 4.21Å; R418-H421 WeakPolarHBondContact CB-ND1 2.93Å; R418-H421 VanDerWaalsContact CD-NE2 3.26Å; R418-H421 WeakPolarHBondContact CD-NE2 3.25Å
419	I	91.1	Very high	76.7	Confident	79 Å²	79	77.5 Å²	77.5	41%	0.405	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	150.8	171.3	-64.2	172.8	0	0	0	109.4	I406 H421	I406-I419 HydrophobicContact CD1-CG1 3.98Å; I406-I419 HydrophobicContact CG1-CG1 4.01Å; I419-H421 PolarHBondContact O-N 2.91Å; I419-H421 VanDerWaalsContact O-N 3.08Å; I419-H421 PolarHBondContact O-ND1 3.29Å
420	N	88.1	Confident	74.4	Confident	124 Å²	124	77.5 Å²	77.5	66%	0.663	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	16.8	-175.4	-61.5	-7.8	0	0	0	114.8	V403	V403-N420 WeakPolarHBondContact O-CA 3.39Å; V403-N420 PolarHBondContact O-N 2.82Å
421	H	86.6	Confident	72	Confident	88 Å²	88	80.8 Å²	80.8	41%	0.407	38%	0.384	S	S	.	.			trans	-102.2	152.1	174	-70.9	51.7	0	0	0	111	V403 R418 I419	V403-H421 PolarHBondContact N-O 2.85Å; R418-H421 HydrophobicContact CB-CB 4.21Å; R418-H421 WeakPolarHBondContact CB-ND1 2.93Å; R418-H421 VanDerWaalsContact CD-NE2 3.26Å; R418-H421 WeakPolarHBondContact CD-NE2 3.25Å; I419-H421 PolarHBondContact O-N 2.91Å; I419-H421 VanDerWaalsContact O-N 3.08Å; I419-H421 PolarHBondContact O-ND1 3.29Å
422	L	84.9	Confident	70.1	Confident	93 Å²	93	76.4 Å²	76.4	49%	0.487	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	123	177.3	-169.5	80.3	0	0	0	110.6	I386 T388 L401	I386-L422 HydrophobicContact CB-CD1 4.44Å; I386-L422 HydrophobicContact CD1-CD1 4.12Å; T388-L422 HydrophobicContact CG2-CD2 4.2Å; L401-L422 CarbonylContact O-C 3.57Å; L401-L422 WeakPolarHBondContact O-CA 3.39Å
423	I	81.4	Confident	68.2	Low	17 Å²	17	70.4 Å²	70.4	9%	0.087	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	131.8	177.7	-65.3	-176.9	0	0	0	110.6	I381 S400 L401 V403 I417 I425	I381-I423 HydrophobicContact CD1-CD1 4.35Å; S400-I423 CarbonylContact C-O 3.56Å; S400-I423 WeakPolarHBondContact CA-O 3.5Å; L401-I423 PolarHBondContact N-O 3.41Å; L401-I423 PolarHBondContact O-N 3.3Å; V403-I423 HydrophobicContact CG2-CD1 3.56Å; V403-I423 HydrophobicContact CG2-CG1 3.9Å; I417-I423 HydrophobicContact CB-CD1 4.02Å; I417-I423 HydrophobicContact CD1-CD1 3.58Å; I417-I423 HydrophobicContact CG1-CD1 3.53Å; I417-I423 HydrophobicContact CG2-CD1 3.55Å; I423-I425 HydrophobicContact CG2-CG1 4.3Å; I423-I425 PolarHBondContact O-N 3.14Å
424	R	74.2	Confident	66.4	Low	126 Å²	126	75.5 Å²	75.5	48%	0.475	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	112	169.7	-67.9	179.6	177.1	173	-0.8	109.5	F459	R424-F459 HydrophobicContact CB-CD1 3.86Å; R424-F459 HydrophobicContact CB-CE1 3.73Å
425	I	69.6	Low	64.8	Low	3 Å²	3	72.5 Å²	72.5	2%	0.015	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	142.3	172.6	-62.3	-177.5	0	0	0	108.2	I399 L401 I423 F428 F449 L451 I462	I399-I425 PolarHBondContact O-N 3.42Å; L401-I425 HydrophobicContact CB-CD1 3.8Å; L401-I425 HydrophobicContact CB-CG1 4.35Å; L401-I425 HydrophobicContact CD2-CD1 4.2Å; L401-I425 HydrophobicContact CG-CD1 4.43Å; I423-I425 HydrophobicContact CG2-CG1 4.3Å; I423-I425 PolarHBondContact O-N 3.14Å; I425-F428 HydrophobicContact CG2-CD2 3.98Å; I425-F428 HydrophobicContact CG2-CE2 3.78Å; I425-F449 HydrophobicContact CD1-CD1 3.98Å; I425-F449 HydrophobicContact CD1-CE1 4.21Å; I425-L451 HydrophobicContact CD1-CD2 4.28Å; I425-I462 HydrophobicContact CD1-CD1 4.45Å; I425-I462 HydrophobicContact CG2-CD1 3.76Å; I425-I462 HydrophobicContact CG2-CG1 3.79Å
426	G	59.8	Low	63.3	Low	21 Å²	21	74 Å²	74	22%	0.216	38%	0.381	C	S	.	.			trans	-61.6	179.5	-176.2	0	0	0	0	0	115.6	F428 S460	G426-F428 WeakPolarHBondContact O-CD2 3.5Å; G426-F428 PolarHBondContact O-N 3.48Å; G426-S460 PolarHBondContact N-O 3.47Å
427	Q	53.2	Low	61.7	Low	123 Å²	123	71 Å²	71	58%	0.575	36%	0.362	S	S	*	.			trans	-51.2	104.4	-166.7	-67.7	-179.4	-13.3	0	0	115.4	Y397	Y397-Q427 WeakPolarHBondContact O-CA 3.49Å
428	F	52.6	Low	60.1	Low	23 Å²	23	74 Å²	74	10%	0.101	37%	0.372	C	S	.	.			trans	-126.5	115	167.9	-72	-66.9	0	0	0	110.5	F366 I399 I425 G426 I439 I462	F366-F428 HydrophobicContact CZ-CE1 4.12Å; F366-F428 HydrophobicContact CZ-CZ 4.43Å; I399-F428 HydrophobicContact CD1-CB 4.05Å; I425-F428 HydrophobicContact CG2-CD2 3.98Å; I425-F428 HydrophobicContact CG2-CE2 3.78Å; G426-F428 WeakPolarHBondContact O-CD2 3.5Å; G426-F428 PolarHBondContact O-N 3.48Å; F428-I439 HydrophobicContact CD1-CD1 3.48Å; F428-I439 VanDerWaalsContact CD1-CD1 3.48Å; F428-I439 HydrophobicContact CD1-CG1 3.75Å; F428-I439 HydrophobicContact CE1-CD1 3.35Å; F428-I439 HydrophobicContact CE1-CG1 4.03Å; F428-I439 HydrophobicContact CG-CD1 4.18Å; F428-I439 HydrophobicContact CZ-CD1 3.95Å; F428-I462 HydrophobicContact CD2-CD1 4.39Å; F428-I462 HydrophobicContact CE2-CB 4.09Å; F428-I462 HydrophobicContact CE2-CD1 3.62Å; F428-I462 HydrophobicContact CE2-CG1 4.06Å; F428-I462 HydrophobicContact CZ-CB 3.98Å; F428-I462 HydrophobicContact CZ-CD1 4.04Å; F428-I462 HydrophobicContact CZ-CG1 4.4Å; F428-I462 HydrophobicContact CZ-CG2 4.43Å
429	S	39.4	Very low	58.6	Low	9 Å²	9	67.3 Å²	67.3	6%	0.063	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-90.5	142.4	-179.4	-176.5	0	0	0	0	111.5	P395 L396 F431 W438	P395-S429 WeakPolarHBondContact CB-OG 3.41Å; L396-S429 WeakPolarHBondContact O-CA 2.97Å; S429-F431 WeakPolarHBondContact CB-O 3.47Å; S429-F431 PolarHBondContact OG-N 3.26Å; S429-F431 PolarHBondContact OG-O 3.25Å; S429-W438 WeakPolarHBondContact O-CA 2.94Å; S429-W438 WeakPolarHBondContact O-CB 3.32Å
430	I	41.7	Very low	57.2	Low	89 Å²	89	68 Å²	68	46%	0.456	35%	0.352	S	S	.	.	S	Bend	trans	-82.7	-23.8	163.8	-69.4	-159.6	0	0	0	111.5	L396	L396-I430 HydrophobicContact CB-CG1 4.47Å; L396-I430 HydrophobicContact CD1-CB 4.42Å; L396-I430 HydrophobicContact CD1-CD1 3.5Å; L396-I430 HydrophobicContact CD1-CG1 3.82Å
431	F	35.4	Very low	56.2	Low	117 Å²	117	63.2 Å²	63.2	51%	0.513	33%	0.328	S	S	.	.	S	Bend	trans	-93.5	141.6	179.2	-69.6	-104.2	0	0	0	111.1	P395 S429 D433	P395-F431 HydrophobicContact CB-CB 4.16Å; P395-F431 HydrophobicContact CB-CD2 3.92Å; P395-F431 HydrophobicContact CB-CG 4.35Å; P395-F431 HydrophobicContact CG-CB 3.96Å; P395-F431 HydrophobicContact CG-CD2 4.2Å; P395-F431 HydrophobicContact CG-CG 4.22Å; S429-F431 WeakPolarHBondContact CB-O 3.47Å; S429-F431 PolarHBondContact OG-N 3.26Å; S429-F431 PolarHBondContact OG-O 3.25Å; F431-D433 PolarHBondContact O-N 3.23Å
432	P	38.5	Very low	55.4	Low	78 Å²	78	64.6 Å²	64.6	51%	0.506	33%	0.332	S	S	.	.			trans	-77.8	82.7	-177.6	32.4	-36.1	0	0	0	112.2	P434	P432-P434 WeakPolarHBondContact O-CD 3.4Å
433	D	38.7	Very low	54.5	Low	62 Å²	62	68 Å²	68	33%	0.332	34%	0.343	S	S	.	.			trans	-56.6	121.4	155.3	-111	11.7	0	0	0	107.5	F431 G435 R436	F431-D433 PolarHBondContact O-N 3.23Å; D433-G435 PolarHBondContact O-N 3.21Å; D433-R436 HydrophobicContact CB-CB 3.8Å; D433-R436 HydrophobicContact CB-CG 3.76Å; D433-R436 PolarHBondContact O-N 3.17Å; D433-R436 WeakPolarHBondContact OD2-CD 3.12Å; D433-R436 IonicContact OD2-CZ 3.32Å; D433-R436 IonicContact OD2-NE 3.84Å; D433-R436 PolarHBondContact OD2-NE 3.45Å
434	P	40.4	Very low	53.9	Low	125 Å²	125	73.3 Å²	73.3	81%	0.812	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	109.8	177.5	24.1	-32.2	0	0	0	109.8	P432	P432-P434 WeakPolarHBondContact O-CD 3.4Å
435	G	42.5	Very low	54.3	Low	39 Å²	39	70.6 Å²	70.6	40%	0.402	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.1	20.6	-174.3	0	0	0	0	0	115.9	R363 D433	R363-G435 WeakPolarHBondContact CB-O 3.14Å; R363-G435 VanDerWaalsContact CD-O 3.24Å; R363-G435 WeakPolarHBondContact CD-O 3.45Å; D433-G435 PolarHBondContact O-N 3.21Å
436	R	51	Low	55.2	Low	107 Å²	107	73.3 Å²	73.3	40%	0.404	38%	0.375	S	S	.	.	S	Bend	trans	-120.9	152.5	163.9	-69.4	-169.1	-170.9	-107	2.5	112.6	D433	D433-R436 HydrophobicContact CB-CB 3.8Å; D433-R436 HydrophobicContact CB-CG 3.76Å; D433-R436 PolarHBondContact O-N 3.17Å; D433-R436 WeakPolarHBondContact OD2-CD 3.12Å; D433-R436 IonicContact OD2-CZ 3.32Å; D433-R436 IonicContact OD2-NE 3.84Å; D433-R436 PolarHBondContact OD2-NE 3.45Å
437	C	50	Low	56.6	Low	10 Å²	10	72.7 Å²	72.7	7%	0.068	37%	0.366	C	S	.	.			trans	-77.9	130.5	174.5	-156.6	0	0	0	0	110.9	C362 F366	C362-C437 HydrophobicContact CB-CB 3.47Å; C362-C437 VanDerWaalsContact CB-CB 3.47Å; C362-C437 WeakPolarHBondContact CB-SG 3.38Å; C362-C437 WeakPolarHBondContact SG-CA 3.5Å; C362-C437 WeakPolarHBondContact SG-CB 3.42Å; C362-C437 CovalentContact SG-SG 2.03Å; C362-C437 PolarHBondContact SG-SG 3.3Å; F366-C437 HydrophobicContact CE2-CB 4.14Å; F366-C437 VanDerWaalsContact CE2-SG 3.53Å; F366-C437 HydrophobicContact CZ-CB 4.5Å
438	W	53.5	Low	58.4	Low	74 Å²	74	66.8 Å²	66.8	28%	0.28	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-112.5	122.8	172.5	62.5	-62.6	0	0	0	109	P356 D357 S429	P356-W438 HydrophobicContact CB-CH2 3.69Å; P356-W438 HydrophobicContact CB-CZ2 3.59Å; P356-W438 HydrophobicContact CB-CZ3 4.24Å; P356-W438 HydrophobicContact CG-CD2 4.03Å; P356-W438 HydrophobicContact CG-CE3 4.16Å; P356-W438 HydrophobicContact CG-CH2 4.07Å; P356-W438 HydrophobicContact CG-CZ2 3.93Å; P356-W438 HydrophobicContact CG-CZ3 4.18Å; D357-W438 HydrophobicContact CB-CZ2 4.41Å; S429-W438 WeakPolarHBondContact O-CA 2.94Å; S429-W438 WeakPolarHBondContact O-CB 3.32Å
439	I	58.6	Low	60.1	Low	6 Å²	6	66 Å²	66	3%	0.031	34%	0.335	C	S	.	.			trans	-111.1	111.2	-178	-47.6	-175.8	0	0	0	108.2	F353 F428 V441 L465	F353-I439 HydrophobicContact CD1-CG2 4.21Å; F353-I439 HydrophobicContact CE1-CG2 3.76Å; F353-I439 HydrophobicContact CE2-CG2 4.08Å; F353-I439 HydrophobicContact CZ-CG2 3.71Å; F428-I439 HydrophobicContact CD1-CD1 3.48Å; F428-I439 VanDerWaalsContact CD1-CD1 3.48Å; F428-I439 HydrophobicContact CD1-CG1 3.75Å; F428-I439 HydrophobicContact CE1-CD1 3.35Å; F428-I439 HydrophobicContact CE1-CG1 4.03Å; F428-I439 HydrophobicContact CG-CD1 4.18Å; F428-I439 HydrophobicContact CZ-CD1 3.95Å; I439-V441 HydrophobicContact CB-CG2 3.98Å; I439-V441 HydrophobicContact CG2-CG2 3.39Å; I439-V441 PolarHBondContact O-N 3.18Å; I439-L465 HydrophobicContact CD1-CD2 3.51Å; I439-L465 HydrophobicContact CG1-CD2 3.86Å
440	N	60.1	Low	62.5	Low	93 Å²	93	65.6 Å²	65.6	50%	0.497	33%	0.332	S	S	.	.			trans	-77.2	65	177	-166.1	-2.2	0	0	0	111.4	F353 P356	F353-N440 HydrophobicContact CZ-CB 4.19Å; P356-N440 HydrophobicContact CG-CB 4.39Å
441	V	67.4	Low	64.6	Low	25 Å²	25	61.3 Å²	61.3	15%	0.152	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-77.2	121.3	176.4	-160.8	0	0	0	0	109	P385 I439 Y447 P466	P385-V441 HydrophobicContact CB-CG1 3.93Å; P385-V441 HydrophobicContact CG-CG1 3.75Å; I439-V441 HydrophobicContact CB-CG2 3.98Å; I439-V441 HydrophobicContact CG2-CG2 3.39Å; I439-V441 PolarHBondContact O-N 3.18Å; V441-Y447 HydrophobicContact CG1-CD1 4.39Å; V441-Y447 HydrophobicContact CG1-CD2 3.49Å; V441-Y447 VanDerWaalsContact CG1-CD2 3.49Å; V441-Y447 HydrophobicContact CG1-CE1 4.25Å; V441-Y447 HydrophobicContact CG1-CE2 3.28Å; V441-Y447 HydrophobicContact CG1-CG 4.07Å; V441-P466 HydrophobicContact CG2-CG 4.5Å
442	K	69.8	Low	66.8	Low	116 Å²	116	58.6 Å²	58.6	50%	0.504	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-77.4	133.6	-176.1	-65.3	-174.9	177.6	-175.7	0	111.5	P385 K445 Y447	P385-K442 WeakPolarHBondContact CG-O 3.42Å; K442-K445 HydrophobicContact CB-CB 4.2Å; K442-K445 HydrophobicContact CB-CD 4.33Å; K442-K445 HydrophobicContact CB-CG 4.13Å; K442-K445 HydrophobicContact CD-CD 4.37Å; K442-K445 PolarHBondContact O-N 3.41Å; K442-Y447 PolarHBondContact N-OH 2.79Å; K442-Y447 VanDerWaalsContact N-OH 3.13Å
443	K	67.4	Low	68.9	Low	166 Å²	166	58.3 Å²	58.3	72%	0.722	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	145.8	165.5	-165.7	-168.2	170.7	-173.8	0	108.8	K445	K443-K445 PolarHBondContact O-N 3.07Å
444	N	69.1	Low	70.9	Confident	128 Å²	128	56.1 Å²	56.1	68%	0.684	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	26.4	-176.2	-58.9	11.5	0	0	0	114.2
445	K	81.8	Confident	72.5	Confident	69 Å²	69	53.6 Å²	53.6	30%	0.3	26%	0.262	S	S	.	.			trans	-118.6	142.5	162.4	-80	-152.1	176.7	-163.7	0	111.4	W384 P385 K442 K443 Y447 E468	W384-K445 VanDerWaalsContact CZ3-C 3.41Å; P385-K445 WeakPolarHBondContact CD-O 3.47Å; K442-K445 HydrophobicContact CB-CB 4.2Å; K442-K445 HydrophobicContact CB-CD 4.33Å; K442-K445 HydrophobicContact CB-CG 4.13Å; K442-K445 HydrophobicContact CD-CD 4.37Å; K442-K445 PolarHBondContact O-N 3.41Å; K443-K445 PolarHBondContact O-N 3.07Å; K445-Y447 HydrophobicContact CB-CD2 4.22Å; K445-Y447 HydrophobicContact CB-CE2 3.43Å; K445-Y447 VanDerWaalsContact CB-CE2 3.43Å; K445-Y447 WeakPolarHBondContact O-CD2 3.34Å; K445-E468 HydrophobicContact CD-CG 4.28Å; K445-E468 VanDerWaalsContact CD-OE2 3.26Å; K445-E468 WeakPolarHBondContact CD-OE2 3.18Å; K445-E468 IonicContact NZ-OE1 3.88Å; K445-E468 PolarHBondContact NZ-OE1 2.76Å; K445-E468 IonicContact NZ-OE2 3.97Å; K445-E468 PolarHBondContact NZ-OE2 3.01Å
446	K	87.6	Confident	73.9	Confident	59 Å²	59	57.5 Å²	57.5	26%	0.257	26%	0.264	S	S	.	.			trans	-89.9	134.8	179.2	-166.7	177.5	-164.6	-179.2	0	108.8	I382 W384 T404 Y469	I382-K446 HydrophobicContact CG2-CD 3.94Å; I382-K446 HydrophobicContact CG2-CG 3.64Å; W384-K446 HydrophobicContact CD2-CB 4.25Å; W384-K446 HydrophobicContact CE3-CB 3.98Å; W384-K446 HydrophobicContact CH2-CB 3.88Å; W384-K446 HydrophobicContact CZ2-CB 4.14Å; W384-K446 HydrophobicContact CZ2-CD 4.26Å; W384-K446 HydrophobicContact CZ2-CG 4.43Å; W384-K446 HydrophobicContact CZ3-CB 3.8Å; W384-K446 VanDerWaalsContact CZ3-N 3.32Å; T404-K446 WeakPolarHBondContact OG1-CE 3.07Å; K446-Y469 HydrophobicContact CB-CG 4.43Å; K446-Y469 HydrophobicContact CD-CD1 4.02Å; K446-Y469 HydrophobicContact CD-CD2 4.47Å; K446-Y469 HydrophobicContact CD-CG 4.01Å; K446-Y469 HydrophobicContact CG-CG 4.18Å; K446-Y469 WeakPolarHBondContact O-CB 3.36Å; K446-Y469 PolarHBondContact O-N 2.99Å
447	Y	89.6	Confident	74.8	Confident	8 Å²	8	56.2 Å²	56.2	3%	0.031	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	154.8	-179.4	-66.2	-98.8	0	0	0	111.1	I382 G383 V441 K442 K445 F449 P466 V467 E468	I382-Y447 WeakPolarHBondContact CA-O 3.45Å; I382-Y447 WeakPolarHBondContact CG2-O 3.04Å; G383-Y447 PolarHBondContact N-O 2.98Å; G383-Y447 PolarHBondContact O-N 3.1Å; V441-Y447 HydrophobicContact CG1-CD1 4.39Å; V441-Y447 HydrophobicContact CG1-CD2 3.49Å; V441-Y447 VanDerWaalsContact CG1-CD2 3.49Å; V441-Y447 HydrophobicContact CG1-CE1 4.25Å; V441-Y447 HydrophobicContact CG1-CE2 3.28Å; V441-Y447 HydrophobicContact CG1-CG 4.07Å; K442-Y447 PolarHBondContact N-OH 2.79Å; K442-Y447 VanDerWaalsContact N-OH 3.13Å; K445-Y447 HydrophobicContact CB-CD2 4.22Å; K445-Y447 HydrophobicContact CB-CE2 3.43Å; K445-Y447 VanDerWaalsContact CB-CE2 3.43Å; K445-Y447 WeakPolarHBondContact O-CD2 3.34Å; Y447-F449 VanDerWaalsContact CB-CE2 3.44Å; Y447-F449 WeakPolarHBondContact O-CD2 3.28Å; Y447-F449 WeakPolarHBondContact O-CE2 3.47Å; Y447-P466 HydrophobicContact CD1-CB 4.1Å; Y447-P466 HydrophobicContact CG-CB 4.35Å; Y447-V467 CarbonylContact C-O 3.57Å; Y447-V467 WeakPolarHBondContact CA-O 3.37Å; Y447-E468 HydrophobicContact CD1-CB 4.1Å; Y447-E468 HydrophobicContact CD1-CG 4.42Å; Y447-E468 HydrophobicContact CE1-CB 3.92Å; Y447-E468 HydrophobicContact CE1-CG 4.07Å
448	I	91.5	Very high	75.6	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	126.8	172.7	-51.2	175.3	0	0	0	107.9	V380 I381 I382 L407 F450 V467 Y469 A473 I477	V380-I448 HydrophobicContact CG1-CG2 3.87Å; I381-I448 CarbonylContact O-C 3.54Å; I381-I448 WeakPolarHBondContact O-CA 3.26Å; I382-I448 HydrophobicContact CG1-CG1 4.29Å; I382-I448 HydrophobicContact CG2-CG1 4.2Å; L407-I448 HydrophobicContact CD1-CG2 4.49Å; I448-F450 HydrophobicContact CG2-CZ 4.2Å; I448-V467 PolarHBondContact N-O 2.88Å; I448-V467 PolarHBondContact O-N 3.41Å; I448-V467 VanDerWaalsContact O-N 3.1Å; I448-Y469 HydrophobicContact CD1-CD2 4.18Å; I448-Y469 HydrophobicContact CG1-CD2 4.14Å; I448-A473 HydrophobicContact CD1-CB 4.46Å; I448-I477 HydrophobicContact CB-CD1 4.48Å; I448-I477 HydrophobicContact CD1-CD1 3.67Å; I448-I477 HydrophobicContact CG2-CD1 4.05Å
449	F	88.9	Confident	76.5	Confident	6 Å²	6	56.7 Å²	56.7	3%	0.026	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.6	-174.5	-66.5	-97.3	0	0	0	110.8	V380 I381 L401 I425 Y447 L451 I462 P466	V380-F449 WeakPolarHBondContact CA-O 3.37Å; I381-F449 HydrophobicContact CG1-CB 4.03Å; I381-F449 PolarHBondContact N-O 2.85Å; I381-F449 PolarHBondContact O-N 2.8Å; L401-F449 HydrophobicContact CD1-CD2 3.78Å; L401-F449 HydrophobicContact CD1-CE1 4.16Å; L401-F449 HydrophobicContact CD1-CE2 3.18Å; L401-F449 HydrophobicContact CD1-CG 4.49Å; L401-F449 HydrophobicContact CD1-CZ 3.42Å; L401-F449 VanDerWaalsContact CD1-CZ 3.42Å; L401-F449 HydrophobicContact CD2-CD2 3.71Å; L401-F449 HydrophobicContact CD2-CE2 4.03Å; L401-F449 HydrophobicContact CD2-CG 4.1Å; L401-F449 HydrophobicContact CG-CD2 4.42Å; L401-F449 HydrophobicContact CG-CE2 4.25Å; I425-F449 HydrophobicContact CD1-CD1 3.98Å; I425-F449 HydrophobicContact CD1-CE1 4.21Å; Y447-F449 VanDerWaalsContact CB-CE2 3.44Å; Y447-F449 WeakPolarHBondContact O-CD2 3.28Å; Y447-F449 WeakPolarHBondContact O-CE2 3.47Å; F449-L451 HydrophobicContact CB-CD2 4.45Å; F449-L451 HydrophobicContact CB-CG 4.31Å; F449-I462 HydrophobicContact CD1-CD1 3.77Å; F449-I462 HydrophobicContact CD1-CG1 4.48Å; F449-I462 HydrophobicContact CE1-CD1 4.19Å; F449-P466 HydrophobicContact CD1-CB 4.02Å; F449-P466 HydrophobicContact CD1-CG 3.7Å; F449-P466 HydrophobicContact CE1-CB 3.73Å; F449-P466 HydrophobicContact CE1-CG 3.36Å; F449-P466 HydrophobicContact CZ-CB 4.06Å; F449-P466 HydrophobicContact CZ-CG 4.13Å
450	F	88.4	Confident	77.3	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	112.6	175.2	-55.3	-81.5	0	0	0	107.8	V370 T374 A377 V380 I448 I462 T463 Q464 V467 I477	V370-F450 HydrophobicContact CG1-CZ 3.87Å; T374-F450 WeakPolarHBondContact OG1-CE1 3.42Å; A377-F450 HydrophobicContact CB-CB 3.95Å; A377-F450 HydrophobicContact CB-CD1 4.46Å; V380-F450 HydrophobicContact CG1-CD1 4.1Å; V380-F450 HydrophobicContact CG1-CE1 3.87Å; V380-F450 HydrophobicContact CG2-CD1 3.89Å; V380-F450 HydrophobicContact CG2-CE1 4.24Å; I448-F450 HydrophobicContact CG2-CZ 4.2Å; F450-I462 CarbonylContact O-C 3.57Å; F450-I462 VanDerWaalsContact O-CA 3.32Å; F450-I462 WeakPolarHBondContact O-CA 3.33Å; F450-T463 WeakPolarHBondContact CB-OG1 3.46Å; F450-T463 PolarHBondContact O-N 3.03Å; F450-T463 PolarHBondContact O-OG1 2.78Å; F450-Q464 HydrophobicContact CB-CB 4.28Å; F450-Q464 HydrophobicContact CD2-CB 3.93Å; F450-Q464 HydrophobicContact CD2-CG 4.42Å; F450-Q464 VanDerWaalsContact CE2-OE1 3.28Å; F450-Q464 HydrophobicContact CG-CB 4.34Å; F450-V467 HydrophobicContact CE2-CB 4.4Å; F450-V467 HydrophobicContact CE2-CG2 3.9Å; F450-I477 HydrophobicContact CE1-CD1 4.43Å; F450-I477 HydrophobicContact CZ-CD1 3.81Å; F450-I477 HydrophobicContact CZ-CG1 4.46Å
451	L	85.8	Confident	78	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	144.8	-170.1	-63.5	-177.1	0	0	0	112	D378 Y379 I381 I417 I425 F449 K461 I462	D378-L451 PolarHBondContact N-O 3.48Å; Y379-L451 PolarHBondContact N-O 2.77Å; Y379-L451 PolarHBondContact O-N 2.99Å; I381-L451 HydrophobicContact CD1-CD1 3.47Å; I381-L451 VanDerWaalsContact CD1-CD1 3.47Å; I381-L451 HydrophobicContact CG1-CD1 4.02Å; I417-L451 HydrophobicContact CD1-CD1 4.14Å; I425-L451 HydrophobicContact CD1-CD2 4.28Å; F449-L451 HydrophobicContact CB-CD2 4.45Å; F449-L451 HydrophobicContact CB-CG 4.31Å; L451-K461 WeakPolarHBondContact CA-O 3.42Å; L451-I462 HydrophobicContact CD2-CB 4.4Å; L451-I462 HydrophobicContact CD2-CG1 3.51Å
452	N	82.3	Confident	78.4	Confident	60 Å²	60	56.7 Å²	56.7	32%	0.321	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-75.9	159.2	157.5	-75.5	7.8	0	0	0	110.7	D378 S460 K461 T463	D378-N452 VanDerWaalsContact OD2-CA 3.25Å; D378-N452 WeakPolarHBondContact OD2-CA 3.45Å; N452-S460 WeakPolarHBondContact O-CB 3.11Å; N452-S460 PolarHBondContact O-OG 2.68Å; N452-K461 HydrophobicContact CB-CB 4.49Å; N452-K461 PolarHBondContact N-O 2.99Å; N452-T463 WeakPolarHBondContact OD1-CG2 3.43Å
453	Q	82.8	Confident	78.5	Confident	72 Å²	72	52.1 Å²	52.1	34%	0.336	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-50.1	138.5	170.3	-173.5	178.5	23.1	0	0	110.4	D378 I410 S413 D455	D378-Q453 HydrophobicContact CB-CB 4.25Å; D378-Q453 PolarHBondContact OD2-N 2.77Å; I410-Q453 HydrophobicContact CD1-CB 4.39Å; S413-Q453 PolarHBondContact OG-NE2 2.91Å; Q453-D455 PolarHBondContact O-N 3.05Å
454	P	79.8	Confident	78.9	Confident	15 Å²	15	44.7 Å²	44.7	10%	0.097	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-59.1	140.3	177.1	-20.4	29.9	0	0	0	111.9	F415 I417 F459 S460	F415-P454 HydrophobicContact CB-CB 3.91Å; F415-P454 HydrophobicContact CB-CG 4.09Å; I417-P454 HydrophobicContact CD1-CG 4.45Å; I417-P454 HydrophobicContact CG1-CG 4.24Å; P454-F459 WeakPolarHBondContact CA-O 3.48Å; P454-S460 WeakPolarHBondContact CG-OG 3.09Å
455	D	74.2	Confident	79.2	Confident	72 Å²	72	39.3 Å²	39.3	39%	0.385	20%	0.199	S	C	.	.			trans	-74.7	-178	174.6	72.9	16.1	0	0	0	112.8	F415 Q453 S457 G458 F459	F415-D455 WeakPolarHBondContact CD2-O 3.48Å; F415-D455 WeakPolarHBondContact CE2-O 3.4Å; Q453-D455 PolarHBondContact O-N 3.05Å; D455-S457 VanDerWaalsContact CG-OG 3.29Å; D455-S457 PolarHBondContact O-N 3.03Å; D455-S457 VanDerWaalsContact OD1-CA 3.31Å; D455-S457 WeakPolarHBondContact OD1-CA 3.26Å; D455-S457 WeakPolarHBondContact OD1-CB 3.42Å; D455-S457 PolarHBondContact OD1-N 3.45Å; D455-S457 PolarHBondContact OD1-OG 3.4Å; D455-S457 PolarHBondContact OD2-OG 2.77Å; D455-G458 PolarHBondContact O-N 3.47Å; D455-G458 PolarHBondContact OD1-N 3.25Å; D455-F459 PolarHBondContact N-O 2.77Å; D455-F459 PolarHBondContact OD1-N 2.88Å; D455-F459 VanDerWaalsContact OD1-N 3.13Å
456	W	72.5	Confident	79.2	Confident	121 Å²	121	36.1 Å²	36.1	46%	0.458	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-5.5	-179.2	-62.7	83.9	0	0	0	114.4	Q233 I414 F415	Q233-W456 HydrophobicContact CG-CH2 3.91Å; Q233-W456 HydrophobicContact CG-CZ3 4.24Å; Q233-W456 VanDerWaalsContact NE2-CZ3 3.26Å; I414-W456 HydrophobicContact CD1-CH2 3.57Å; I414-W456 HydrophobicContact CD1-CZ2 4.04Å; I414-W456 HydrophobicContact CD1-CZ3 4.19Å; F415-W456 HydrophobicContact CE2-CE3 4.3Å; F415-W456 HydrophobicContact CZ-CE3 4.5Å
457	S	68.8	Low	79.2	Confident	81 Å²	81	33.5 Å²	33.5	57%	0.566	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.7	8.1	172.7	31.1	0	0	0	0	112.7	D455 F459	D455-S457 VanDerWaalsContact CG-OG 3.29Å; D455-S457 PolarHBondContact O-N 3.03Å; D455-S457 VanDerWaalsContact OD1-CA 3.31Å; D455-S457 WeakPolarHBondContact OD1-CA 3.26Å; D455-S457 WeakPolarHBondContact OD1-CB 3.42Å; D455-S457 PolarHBondContact OD1-N 3.45Å; D455-S457 PolarHBondContact OD1-OG 3.4Å; D455-S457 PolarHBondContact OD2-OG 2.77Å; S457-F459 VanDerWaalsContact C-N 3.34Å; S457-F459 WeakPolarHBondContact O-CD2 3.24Å
458	G	68.3	Low	79	Confident	33 Å²	33	36.8 Å²	36.8	34%	0.34	19%	0.19	S	C	.	.	S	Bend	trans	78.9	9.9	176.9	0	0	0	0	0	114.9	D455	D455-G458 PolarHBondContact O-N 3.47Å; D455-G458 PolarHBondContact OD1-N 3.25Å
459	F	72.1	Confident	78.9	Confident	61 Å²	61	40 Å²	40	27%	0.268	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-91.3	127.1	179.2	-68.8	-89.9	0	0	0	111.1	R424 P454 D455 S457	R424-F459 HydrophobicContact CB-CD1 3.86Å; R424-F459 HydrophobicContact CB-CE1 3.73Å; P454-F459 WeakPolarHBondContact CA-O 3.48Å; D455-F459 PolarHBondContact N-O 2.77Å; D455-F459 PolarHBondContact OD1-N 2.88Å; D455-F459 VanDerWaalsContact OD1-N 3.13Å; S457-F459 VanDerWaalsContact C-N 3.34Å; S457-F459 WeakPolarHBondContact O-CD2 3.24Å
460	S	74.8	Confident	79.1	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.007	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-92.2	134.7	166.8	-84.6	0	0	0	0	111.1	G426 N452 P454	G426-S460 PolarHBondContact N-O 3.47Å; N452-S460 WeakPolarHBondContact O-CB 3.11Å; N452-S460 PolarHBondContact O-OG 2.68Å; P454-S460 WeakPolarHBondContact CG-OG 3.09Å
461	K	75.1	Confident	79.1	Confident	118 Å²	118	48 Å²	48	51%	0.513	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-85	132.8	168.2	-167.5	-159.1	169.8	-170.3	0	109.6	L451 N452	L451-K461 WeakPolarHBondContact CA-O 3.42Å; N452-K461 HydrophobicContact CB-CB 4.49Å; N452-K461 PolarHBondContact N-O 2.99Å
462	I	75	Confident	79.3	Confident	5 Å²	5	52.8 Å²	52.8	3%	0.026	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	138.2	166.3	-76.2	-179.4	0	0	0	110.7	F366 I425 F428 F449 F450 L451 Q464 P466	F366-I462 HydrophobicContact CD1-CG2 4.4Å; F366-I462 HydrophobicContact CE1-CG2 4.03Å; I425-I462 HydrophobicContact CD1-CD1 4.45Å; I425-I462 HydrophobicContact CG2-CD1 3.76Å; I425-I462 HydrophobicContact CG2-CG1 3.79Å; F428-I462 HydrophobicContact CD2-CD1 4.39Å; F428-I462 HydrophobicContact CE2-CB 4.09Å; F428-I462 HydrophobicContact CE2-CD1 3.62Å; F428-I462 HydrophobicContact CE2-CG1 4.06Å; F428-I462 HydrophobicContact CZ-CB 3.98Å; F428-I462 HydrophobicContact CZ-CD1 4.04Å; F428-I462 HydrophobicContact CZ-CG1 4.4Å; F428-I462 HydrophobicContact CZ-CG2 4.43Å; F449-I462 HydrophobicContact CD1-CD1 3.77Å; F449-I462 HydrophobicContact CD1-CG1 4.48Å; F449-I462 HydrophobicContact CE1-CD1 4.19Å; F450-I462 CarbonylContact O-C 3.57Å; F450-I462 VanDerWaalsContact O-CA 3.32Å; F450-I462 WeakPolarHBondContact O-CA 3.33Å; L451-I462 HydrophobicContact CD2-CB 4.4Å; L451-I462 HydrophobicContact CD2-CG1 3.51Å; I462-Q464 VanDerWaalsContact CG2-C 3.47Å; I462-Q464 WeakPolarHBondContact CG2-O 3.36Å; I462-P466 HydrophobicContact CD1-CG 4.19Å
463	T	72.9	Confident	79.6	Confident	20 Å²	20	50 Å²	50	12%	0.123	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-29.4	172.8	56.1	0	0	0	0	113.7	F450 N452	F450-T463 WeakPolarHBondContact CB-OG1 3.46Å; F450-T463 PolarHBondContact O-N 3.03Å; F450-T463 PolarHBondContact O-OG1 2.78Å; N452-T463 WeakPolarHBondContact OD1-CG2 3.43Å
464	Q	75.5	Confident	80.1	Confident	9 Å²	9	49.6 Å²	49.6	4%	0.042	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	142.7	176.1	-178.9	-176.2	53.6	0	0	111.8	H367 D369 S373 F450 I462	H367-Q464 WeakPolarHBondContact O-CG 3.07Å; H367-Q464 PolarHBondContact O-NE2 3.48Å; D369-Q464 PolarHBondContact O-NE2 3.26Å; S373-Q464 VanDerWaalsContact OG-CB 3.22Å; S373-Q464 WeakPolarHBondContact OG-CB 3.27Å; S373-Q464 PolarHBondContact OG-NE2 3.21Å; S373-Q464 PolarHBondContact OG-OE1 3.48Å; F450-Q464 HydrophobicContact CB-CB 4.28Å; F450-Q464 HydrophobicContact CD2-CB 3.93Å; F450-Q464 HydrophobicContact CD2-CG 4.42Å; F450-Q464 VanDerWaalsContact CE2-OE1 3.28Å; F450-Q464 HydrophobicContact CG-CB 4.34Å; I462-Q464 VanDerWaalsContact CG2-C 3.47Å; I462-Q464 WeakPolarHBondContact CG2-O 3.36Å
465	L	76.1	Confident	80.7	Confident	16 Å²	16	53.5 Å²	53.5	8%	0.084	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-46.8	133	173.3	-58.8	168.9	0	0	0	111.2	F353 F366 I439 V467	F353-L465 HydrophobicContact CB-CB 3.89Å; F353-L465 HydrophobicContact CD1-CB 4.22Å; F353-L465 HydrophobicContact CD1-CD1 4.27Å; F353-L465 HydrophobicContact CG-CB 4.35Å; F353-L465 WeakPolarHBondContact O-CD1 3.01Å; F366-L465 HydrophobicContact CB-CG 4.25Å; F366-L465 HydrophobicContact CD1-CD2 4.29Å; F366-L465 HydrophobicContact CD1-CG 4.22Å; F366-L465 HydrophobicContact CD2-CD1 4.19Å; F366-L465 HydrophobicContact CD2-CD2 3.76Å; F366-L465 HydrophobicContact CD2-CG 3.81Å; F366-L465 HydrophobicContact CE1-CD2 4.19Å; F366-L465 HydrophobicContact CE2-CD2 3.66Å; F366-L465 HydrophobicContact CE2-CG 4.25Å; F366-L465 HydrophobicContact CG-CD1 4.46Å; F366-L465 HydrophobicContact CG-CD2 4.09Å; F366-L465 HydrophobicContact CG-CG 3.81Å; F366-L465 HydrophobicContact CZ-CD2 3.88Å; I439-L465 HydrophobicContact CD1-CD2 3.51Å; I439-L465 HydrophobicContact CG1-CD2 3.86Å; L465-V467 PolarHBondContact O-N 2.89Å
466	P	81.4	Confident	81.5	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.013	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	134.5	-171	-24.3	33.4	0	0	0	113.8	V441 Y447 F449 I462	V441-P466 HydrophobicContact CG2-CG 4.5Å; Y447-P466 HydrophobicContact CD1-CB 4.1Å; Y447-P466 HydrophobicContact CG-CB 4.35Å; F449-P466 HydrophobicContact CD1-CB 4.02Å; F449-P466 HydrophobicContact CD1-CG 3.7Å; F449-P466 HydrophobicContact CE1-CB 3.73Å; F449-P466 HydrophobicContact CE1-CG 3.36Å; F449-P466 HydrophobicContact CZ-CB 4.06Å; F449-P466 HydrophobicContact CZ-CG 4.13Å; I462-P466 HydrophobicContact CD1-CG 4.19Å
467	V	86.7	Confident	82.3	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.024	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	132.6	176	170.3	0	0	0	0	109.1	I350 V370 Y447 I448 F450 L465 Y469 A473	I350-V467 HydrophobicContact CG2-CG1 3.57Å; I350-V467 HydrophobicContact CG2-CG2 4.39Å; V370-V467 HydrophobicContact CG2-CG2 3.76Å; Y447-V467 CarbonylContact C-O 3.57Å; Y447-V467 WeakPolarHBondContact CA-O 3.37Å; I448-V467 PolarHBondContact N-O 2.88Å; I448-V467 PolarHBondContact O-N 3.41Å; I448-V467 VanDerWaalsContact O-N 3.1Å; F450-V467 HydrophobicContact CE2-CB 4.4Å; F450-V467 HydrophobicContact CE2-CG2 3.9Å; L465-V467 PolarHBondContact O-N 2.89Å; V467-Y469 PolarHBondContact O-N 2.87Å; V467-A473 HydrophobicContact CG1-CB 3.91Å
468	E	86.4	Confident	83.5	Confident	77 Å²	77	43.3 Å²	43.3	36%	0.36	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	132.4	176.7	-166	175.1	124.5	0	0	110.6	K445 Y447 T470	K445-E468 HydrophobicContact CD-CG 4.28Å; K445-E468 VanDerWaalsContact CD-OE2 3.26Å; K445-E468 WeakPolarHBondContact CD-OE2 3.18Å; K445-E468 IonicContact NZ-OE1 3.88Å; K445-E468 PolarHBondContact NZ-OE1 2.76Å; K445-E468 IonicContact NZ-OE2 3.97Å; K445-E468 PolarHBondContact NZ-OE2 3.01Å; Y447-E468 HydrophobicContact CD1-CB 4.1Å; Y447-E468 HydrophobicContact CD1-CG 4.42Å; Y447-E468 HydrophobicContact CE1-CB 3.92Å; Y447-E468 HydrophobicContact CE1-CG 4.07Å; E468-T470 PolarHBondContact O-N 3.05Å
469	Y	90	Very high	84.5	Confident	67 Å²	67	50.2 Å²	50.2	26%	0.263	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-67.7	116.9	-177.6	177	-92.6	0	0	0	110.8	I382 K446 I448 V467 Y474	I382-Y469 HydrophobicContact CD1-CD2 3.89Å; I382-Y469 HydrophobicContact CD1-CE2 3.68Å; I382-Y469 HydrophobicContact CG2-CD2 3.74Å; I382-Y469 HydrophobicContact CG2-CE2 4.41Å; I382-Y469 HydrophobicContact CG2-CG 4.31Å; K446-Y469 HydrophobicContact CB-CG 4.43Å; K446-Y469 HydrophobicContact CD-CD1 4.02Å; K446-Y469 HydrophobicContact CD-CD2 4.47Å; K446-Y469 HydrophobicContact CD-CG 4.01Å; K446-Y469 HydrophobicContact CG-CG 4.18Å; K446-Y469 WeakPolarHBondContact O-CB 3.36Å; K446-Y469 PolarHBondContact O-N 2.99Å; I448-Y469 HydrophobicContact CD1-CD2 4.18Å; I448-Y469 HydrophobicContact CG1-CD2 4.14Å; V467-Y469 PolarHBondContact O-N 2.87Å; Y469-Y474 HydrophobicContact CE2-CD2 4.19Å; Y469-Y474 HydrophobicContact CE2-CG 4.26Å
470	T	91.3	Very high	85.3	Confident	63 Å²	63	48.2 Å²	48.2	39%	0.387	23%	0.225	S	C	.	.			trans	-137.5	154.4	170.3	58.4	0	0	0	0	108.7	E468 Y472 A473 Y474	E468-T470 PolarHBondContact O-N 3.05Å; T470-Y472 PolarHBondContact O-N 2.72Å; T470-A473 PolarHBondContact O-N 2.99Å; T470-A473 VanDerWaalsContact O-N 3.14Å; T470-A473 VanDerWaalsContact OG1-CB 3.25Å; T470-A473 WeakPolarHBondContact OG1-CB 3.32Å; T470-A473 PolarHBondContact OG1-N 3.03Å; T470-A473 VanDerWaalsContact OG1-N 3.12Å; T470-Y474 WeakPolarHBondContact O-CB 3.32Å; T470-Y474 PolarHBondContact O-N 3.3Å
471	N	90.2	Very high	86	Confident	110 Å²	110	50.5 Å²	50.5	59%	0.588	24%	0.236	S	C	*	.	H	α-helix	trans	-59.3	-33.5	177	-68.4	-10.3	0	0	0	111.7	N475	N471-N475 VanDerWaalsContact O-CB 3.29Å; N471-N475 WeakPolarHBondContact O-CB 3.36Å; N471-N475 VanDerWaalsContact O-CG 3.27Å; N471-N475 PolarHBondContact O-N 2.77Å; N471-N475 PolarHBondContact O-ND2 3.49Å
472	Y	88.8	Confident	86.7	Confident	102 Å²	102	53.4 Å²	53.4	40%	0.4	25%	0.248	S	C	.	.	H	α-helix	trans	-63.6	-50.8	172.8	-175.6	-86	0	0	0	112.5	Q348 I350 T470 Y474 N475 S476	Q348-Y472 HydrophobicContact CB-CE2 4.36Å; Q348-Y472 WeakPolarHBondContact O-CE1 3.11Å; Q348-Y472 PolarHBondContact O-OH 3.42Å; I350-Y472 HydrophobicContact CG1-CD1 4.21Å; I350-Y472 HydrophobicContact CG1-CE1 3.88Å; T470-Y472 PolarHBondContact O-N 2.72Å; Y472-Y474 PolarHBondContact O-N 3.07Å; Y472-N475 PolarHBondContact O-N 2.86Å; Y472-S476 VanDerWaalsContact CE1-OG 3.31Å; Y472-S476 WeakPolarHBondContact CE1-OG 3.22Å; Y472-S476 VanDerWaalsContact O-CB 3.29Å; Y472-S476 WeakPolarHBondContact O-CB 3.4Å; Y472-S476 PolarHBondContact O-N 3.16Å; Y472-S476 PolarHBondContact O-OG 2.68Å
473	A	89.9	Confident	87.2	Confident	1 Å²	1	58 Å²	58	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-63.2	-43.2	179.5	0	0	0	0	0	111.6	I350 I448 V467 T470 S476 I477	I350-A473 HydrophobicContact CG2-CB 4.06Å; I448-A473 HydrophobicContact CD1-CB 4.46Å; V467-A473 HydrophobicContact CG1-CB 3.91Å; T470-A473 PolarHBondContact O-N 2.99Å; T470-A473 VanDerWaalsContact O-N 3.14Å; T470-A473 VanDerWaalsContact OG1-CB 3.25Å; T470-A473 WeakPolarHBondContact OG1-CB 3.32Å; T470-A473 PolarHBondContact OG1-N 3.03Å; T470-A473 VanDerWaalsContact OG1-N 3.12Å; A473-S476 PolarHBondContact O-N 2.79Å; A473-I477 WeakPolarHBondContact O-CB 3.38Å; A473-I477 WeakPolarHBondContact O-CD1 3.33Å; A473-I477 VanDerWaalsContact O-CG1 3.29Å; A473-I477 WeakPolarHBondContact O-CG1 3.41Å; A473-I477 PolarHBondContact O-N 3.29Å
474	Y	92.5	Very high	87.7	Confident	64 Å²	64	58.1 Å²	58.1	25%	0.251	28%	0.278	S	S	.	.	H	α-helix	trans	-58	-55	175.4	173.8	-102.4	0	0	0	111.8	I382 L407 Y469 T470 Y472 S476 I477 I478	I382-Y474 HydrophobicContact CD1-CD2 4Å; I382-Y474 HydrophobicContact CD1-CE2 4.27Å; L407-Y474 HydrophobicContact CD1-CD2 4.15Å; L407-Y474 HydrophobicContact CD1-CE2 4.24Å; L407-Y474 HydrophobicContact CD2-CD2 4.45Å; L407-Y474 HydrophobicContact CD2-CE2 3.78Å; Y469-Y474 HydrophobicContact CE2-CD2 4.19Å; Y469-Y474 HydrophobicContact CE2-CG 4.26Å; T470-Y474 WeakPolarHBondContact O-CB 3.32Å; T470-Y474 PolarHBondContact O-N 3.3Å; Y472-Y474 PolarHBondContact O-N 3.07Å; Y474-S476 VanDerWaalsContact C-N 3.27Å; Y474-S476 PolarHBondContact O-N 2.8Å; Y474-I477 PolarHBondContact O-N 3.13Å; Y474-I478 HydrophobicContact CD1-CG1 4.39Å; Y474-I478 HydrophobicContact CD2-CG1 4.24Å; Y474-I478 HydrophobicContact CE1-CG1 4.07Å; Y474-I478 HydrophobicContact CE2-CD1 4.02Å; Y474-I478 HydrophobicContact CE2-CG1 3.9Å; Y474-I478 HydrophobicContact CG-CG1 4.48Å; Y474-I478 WeakPolarHBondContact O-CB 3.44Å; Y474-I478 VanDerWaalsContact O-CG1 3.26Å; Y474-I478 WeakPolarHBondContact O-CG1 3.36Å; Y474-I478 PolarHBondContact O-N 2.97Å
475	N	92.7	Very high	87.9	Confident	97 Å²	97	60.3 Å²	60.3	52%	0.519	30%	0.298	S	S	.	.	H	α-helix	trans	-62.1	-35.5	-179.8	-74.7	-23.3	0	0	0	112.2	N471 Y472 R479	N471-N475 VanDerWaalsContact O-CB 3.29Å; N471-N475 WeakPolarHBondContact O-CB 3.36Å; N471-N475 VanDerWaalsContact O-CG 3.27Å; N471-N475 PolarHBondContact O-N 2.77Å; N471-N475 PolarHBondContact O-ND2 3.49Å; Y472-N475 PolarHBondContact O-N 2.86Å; N475-R479 WeakPolarHBondContact O-CB 3.49Å; N475-R479 PolarHBondContact O-N 2.96Å
476	S	89.8	Confident	88.1	Confident	22 Å²	22	62.9 Å²	62.9	15%	0.154	31%	0.312	C	S	.	.	H	α-helix	trans	-66.4	-45.2	175.9	-61.5	0	0	0	0	112.3	Y472 A473 Y474 R479 I480	Y472-S476 VanDerWaalsContact CE1-OG 3.31Å; Y472-S476 WeakPolarHBondContact CE1-OG 3.22Å; Y472-S476 VanDerWaalsContact O-CB 3.29Å; Y472-S476 WeakPolarHBondContact O-CB 3.4Å; Y472-S476 PolarHBondContact O-N 3.16Å; Y472-S476 PolarHBondContact O-OG 2.68Å; A473-S476 PolarHBondContact O-N 2.79Å; Y474-S476 VanDerWaalsContact C-N 3.27Å; Y474-S476 PolarHBondContact O-N 2.8Å; S476-R479 WeakPolarHBondContact O-CB 3.45Å; S476-R479 PolarHBondContact O-N 2.89Å; S476-I480 WeakPolarHBondContact O-CD1 3.36Å; S476-I480 WeakPolarHBondContact O-CG1 3.42Å; S476-I480 PolarHBondContact O-N 3.1Å
477	I	91	Very high	88.1	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-66	-42.5	177.4	-71.6	163.5	0	0	0	110.8	V370 T374 V380 L407 I448 F450 A473 Y474 R479 I480 M481	V370-I477 HydrophobicContact CG1-CD1 3.97Å; V370-I477 HydrophobicContact CG1-CG1 3.77Å; T374-I477 HydrophobicContact CG2-CG2 3.88Å; V380-I477 HydrophobicContact CG1-CG2 4.2Å; L407-I477 HydrophobicContact CD1-CG2 4.3Å; I448-I477 HydrophobicContact CB-CD1 4.48Å; I448-I477 HydrophobicContact CD1-CD1 3.67Å; I448-I477 HydrophobicContact CG2-CD1 4.05Å; F450-I477 HydrophobicContact CE1-CD1 4.43Å; F450-I477 HydrophobicContact CZ-CD1 3.81Å; F450-I477 HydrophobicContact CZ-CG1 4.46Å; A473-I477 WeakPolarHBondContact O-CB 3.38Å; A473-I477 WeakPolarHBondContact O-CD1 3.33Å; A473-I477 VanDerWaalsContact O-CG1 3.29Å; A473-I477 WeakPolarHBondContact O-CG1 3.41Å; A473-I477 PolarHBondContact O-N 3.29Å; Y474-I477 PolarHBondContact O-N 3.13Å; I477-R479 VanDerWaalsContact C-N 3.3Å; I477-R479 PolarHBondContact O-N 2.76Å; I477-I480 PolarHBondContact O-N 2.87Å; I477-M481 WeakPolarHBondContact O-CG 3.18Å; I477-M481 PolarHBondContact O-N 2.99Å
478	I	92.1	Very high	87.8	Confident	37 Å²	37	67.8 Å²	67.8	19%	0.19	34%	0.342	C	S	.	.	H	α-helix	trans	-58.2	-42.3	171.9	-67.4	-74.8	0	0	0	110.9	Y474 M481 K482	Y474-I478 HydrophobicContact CD1-CG1 4.39Å; Y474-I478 HydrophobicContact CD2-CG1 4.24Å; Y474-I478 HydrophobicContact CE1-CG1 4.07Å; Y474-I478 HydrophobicContact CE2-CD1 4.02Å; Y474-I478 HydrophobicContact CE2-CG1 3.9Å; Y474-I478 HydrophobicContact CG-CG1 4.48Å; Y474-I478 WeakPolarHBondContact O-CB 3.44Å; Y474-I478 VanDerWaalsContact O-CG1 3.26Å; Y474-I478 WeakPolarHBondContact O-CG1 3.36Å; Y474-I478 PolarHBondContact O-N 2.97Å; I478-M481 HydrophobicContact CD1-CE 3.8Å; I478-M481 PolarHBondContact O-N 3.2Å; I478-K482 HydrophobicContact CG2-CD 4.14Å; I478-K482 HydrophobicContact CG2-CG 4.5Å; I478-K482 WeakPolarHBondContact O-CB 3.42Å; I478-K482 WeakPolarHBondContact O-CG 3.14Å; I478-K482 PolarHBondContact O-N 3.04Å
479	R	90.8	Very high	87.5	Confident	179 Å²	179	69.6 Å²	69.6	68%	0.675	35%	0.35	S	S	*	.	H	α-helix	trans	-64.9	-41.6	175.9	-175.5	179.8	-178	-179.2	2.6	112.3	N475 S476 I477 K482 L483	N475-R479 WeakPolarHBondContact O-CB 3.49Å; N475-R479 PolarHBondContact O-N 2.96Å; S476-R479 WeakPolarHBondContact O-CB 3.45Å; S476-R479 PolarHBondContact O-N 2.89Å; I477-R479 VanDerWaalsContact C-N 3.3Å; I477-R479 PolarHBondContact O-N 2.76Å; R479-K482 PolarHBondContact O-N 2.03Å; R479-L483 HydrophobicContact CG-CD1 3.96Å; R479-L483 WeakPolarHBondContact O-CD1 3.4Å; R479-L483 VanDerWaalsContact O-CG 3.29Å; R479-L483 WeakPolarHBondContact O-CG 3.31Å; R479-L483 PolarHBondContact O-N 2.9Å; R479-L483 VanDerWaalsContact O-N 3.13Å
480	I	88.7	Confident	87.1	Confident	19 Å²	19	67.8 Å²	67.8	10%	0.097	35%	0.345	C	S	.	.	H	α-helix	trans	-60.1	-50.9	175.6	-69.6	152.7	0	0	0	110.2	E371 T374 L375 S476 I477 K482 L483 G484	E371-I480 HydrophobicContact CB-CD1 3.96Å; E371-I480 HydrophobicContact CB-CG1 4.21Å; E371-I480 HydrophobicContact CB-CG2 4.34Å; E371-I480 HydrophobicContact CG-CG1 4.45Å; E371-I480 HydrophobicContact CG-CG2 4.08Å; T374-I480 HydrophobicContact CG2-CB 4.1Å; T374-I480 HydrophobicContact CG2-CG2 3.67Å; L375-I480 HydrophobicContact CD2-CG2 3.97Å; L375-I480 HydrophobicContact CG-CG2 3.91Å; S476-I480 WeakPolarHBondContact O-CD1 3.36Å; S476-I480 WeakPolarHBondContact O-CG1 3.42Å; S476-I480 PolarHBondContact O-N 3.1Å; I477-I480 PolarHBondContact O-N 2.87Å; I480-K482 PolarHBondContact O-N 3.36Å; I480-L483 PolarHBondContact O-N 3.31Å; I480-G484 PolarHBondContact O-N 2.72Å
481	M	88.5	Confident	86.3	Confident	49 Å²	49	72 Å²	72	24%	0.241	35%	0.353	C	S	.	.	H	α-helix	trans	-62.7	-39.7	179.4	-65.9	-170	-52.7	0	0	113	T374 L407 K408 I477 I478 L483 G484	T374-M481 HydrophobicContact CG2-CG 3.34Å; T374-M481 HydrophobicContact CG2-SD 4.24Å; L407-M481 HydrophobicContact CB-CE 3.85Å; L407-M481 HydrophobicContact CB-SD 4.37Å; L407-M481 WeakPolarHBondContact O-CE 3.33Å; K408-M481 HydrophobicContact CB-SD 3.93Å; K408-M481 HydrophobicContact CG-SD 4.48Å; I477-M481 WeakPolarHBondContact O-CG 3.18Å; I477-M481 PolarHBondContact O-N 2.99Å; I478-M481 HydrophobicContact CD1-CE 3.8Å; I478-M481 PolarHBondContact O-N 3.2Å; M481-L483 VanDerWaalsContact C-N 3.31Å; M481-L483 PolarHBondContact O-N 3.26Å; M481-G484 PolarHBondContact O-N 3.19Å
482	K	89.4	Confident	84.9	Confident	178 Å²	178	70 Å²	70	77%	0.774	35%	0.348	S	S	*	.	H	α-helix	trans	-63.8	-33.7	176.9	-80.8	-178.9	176.5	-175.1	0	113.4	I478 R479 I480	I478-K482 HydrophobicContact CG2-CD 4.14Å; I478-K482 HydrophobicContact CG2-CG 4.5Å; I478-K482 WeakPolarHBondContact O-CB 3.42Å; I478-K482 WeakPolarHBondContact O-CG 3.14Å; I478-K482 PolarHBondContact O-N 3.04Å; R479-K482 PolarHBondContact O-N 2.03Å; I480-K482 PolarHBondContact O-N 3.36Å
483	L	86.7	Confident	83.7	Confident	101 Å²	101	65.4 Å²	65.4	53%	0.529	33%	0.33	S	S	.	.	H	α-helix	trans	-84.9	-23.5	178.8	-64.3	166	0	0	0	112.6	R479 I480 M481	R479-L483 HydrophobicContact CG-CD1 3.96Å; R479-L483 WeakPolarHBondContact O-CD1 3.4Å; R479-L483 VanDerWaalsContact O-CG 3.29Å; R479-L483 WeakPolarHBondContact O-CG 3.31Å; R479-L483 PolarHBondContact O-N 2.9Å; R479-L483 VanDerWaalsContact O-N 3.13Å; I480-L483 PolarHBondContact O-N 3.31Å; M481-L483 VanDerWaalsContact C-N 3.31Å; M481-L483 PolarHBondContact O-N 3.26Å
484	G	83.5	Confident	82.3	Confident	23 Å²	23	71.8 Å²	71.8	24%	0.237	36%	0.355	C	S	.	.			trans	72.4	-158.8	176.8	0	0	0	0	0	114.7	L375 I480 M481 R516	L375-G484 WeakPolarHBondContact CD2-O 3.43Å; I480-G484 PolarHBondContact O-N 2.72Å; M481-G484 PolarHBondContact O-N 3.19Å; G484-R516 PolarHBondContact O-NH1 2.82Å
485	A	79.8	Confident	81	Confident	56 Å²	56	71.1 Å²	71.1	46%	0.463	35%	0.354	S	S	.	.			trans	-107.4	131.3	-175.7	0	0	0	0	0	110.9	L375 R516	L375-A485 HydrophobicContact CD1-CB 4.41Å; L375-A485 HydrophobicContact CD2-CB 4.48Å; A485-R516 CarbonylContact C-O 3.57Å; A485-R516 VanDerWaalsContact CA-O 3.26Å; A485-R516 WeakPolarHBondContact CA-O 3.18Å; A485-R516 VanDerWaalsContact CB-O 3.31Å; A485-R516 WeakPolarHBondContact CB-O 3.27Å
486	D	80.5	Confident	80	Confident	69 Å²	69	74.1 Å²	74.1	37%	0.369	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	143	-177	-69.2	-22.2	0	0	0	110.8	R516 N573	D486-R516 HydrophobicContact CB-CB 3.98Å; D486-R516 HydrophobicContact CB-CG 4.17Å; D486-R516 PolarHBondContact N-O 2.96Å; D486-R516 PolarHBondContact O-N 2.89Å; D486-R516 VanDerWaalsContact O-N 3.09Å; D486-R516 WeakPolarHBondContact OD2-CD 3.26Å; D486-R516 IonicContact OD2-NH1 3.87Å; D486-N573 PolarHBondContact O-ND2 2.94Å
487	P	80.5	Confident	79.6	Confident	81 Å²	81	77.7 Å²	77.7	53%	0.526	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	155.1	171.9	29.8	-35.4	0	0	0	111.4	Q489 G515	P487-Q489 PolarHBondContact O-N 3.1Å; P487-G515 WeakPolarHBondContact O-CA 3.46Å
488	L	80.2	Confident	79.5	Confident	29 Å²	29	80.2 Å²	80.2	15%	0.152	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	128.9	174.7	-72.7	172.6	0	0	0	111.5	V513 R514 P519 N571 G574 I576	L488-V513 HydrophobicContact CD2-CG1 4.46Å; L488-R514 WeakPolarHBondContact CA-O 3.31Å; L488-P519 HydrophobicContact CD2-CB 3.82Å; L488-P519 HydrophobicContact CD2-CG 4.22Å; L488-N571 HydrophobicContact CD2-CB 4.4Å; L488-G574 VanDerWaalsContact CD1-C 3.44Å; L488-G574 WeakPolarHBondContact CD1-O 3.41Å; L488-I576 HydrophobicContact CB-CB 4.47Å; L488-I576 HydrophobicContact CB-CG2 3.88Å; L488-I576 HydrophobicContact CD1-CG2 4.29Å
489	Q	80.5	Confident	79.5	Confident	114 Å²	114	80.3 Å²	80.3	53%	0.533	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	110.1	176.5	-65	-178.5	-1.4	0	0	109.4	P487 V513 R514	P487-Q489 PolarHBondContact O-N 3.1Å; Q489-V513 CarbonylContact O-C 3.54Å; Q489-V513 WeakPolarHBondContact O-CA 3.42Å; Q489-R514 HydrophobicContact CB-CB 4.48Å; Q489-R514 PolarHBondContact N-O 2.81Å; Q489-R514 PolarHBondContact O-N 3.05Å
490	M	81.9	Confident	79.6	Confident	30 Å²	30	78.5 Å²	78.5	15%	0.148	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	122.9	171.1	-175.2	171.8	-75	0	0	108	V513 C567 A569 I576 K578	M490-V513 HydrophobicContact CB-CG2 4.37Å; M490-V513 HydrophobicContact CE-CG2 3.67Å; M490-V513 HydrophobicContact CG-CG2 4.11Å; M490-C567 HydrophobicContact CE-CB 4.42Å; M490-A569 HydrophobicContact CE-CB 3.9Å; M490-I576 HydrophobicContact CB-CD1 3.72Å; M490-I576 HydrophobicContact CB-CG1 3.97Å; M490-I576 HydrophobicContact CB-CG2 4.08Å; M490-I576 HydrophobicContact CE-CG2 4.17Å; M490-K578 HydrophobicContact SD-CB 3.52Å; M490-K578 VanDerWaalsContact SD-CB 3.52Å
491	R	74.7	Confident	79.7	Confident	150 Å²	150	78.3 Å²	78.3	57%	0.566	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-68.5	149.9	165.9	178.4	173.9	-83.1	-163	-8.3	107.2	L493 R512	R491-L493 PolarHBondContact O-N 2.96Å; R491-R512 PolarHBondContact N-O 2.99Å
492	S	61.3	Low	80	Confident	68 Å²	68	79.9 Å²	79.9	48%	0.476	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-50.1	139.8	170.1	-172.3	0	0	0	0	109.8	K578	S492-K578 PolarHBondContact OG-NZ 2.82Å
493	L	62.5	Low	80.1	Confident	6 Å²	6	73.9 Å²	73.9	3%	0.031	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-54.7	148.8	165.9	-55.8	173.7	0	0	0	107.9	R491 H495 S510 C511 K578 V580	R491-L493 PolarHBondContact O-N 2.96Å; L493-H495 PolarHBondContact O-N 3.19Å; L493-S510 WeakPolarHBondContact CD2-O 3.22Å; L493-C511 VanDerWaalsContact CD2-CA 3.5Å; L493-C511 HydrophobicContact CD2-CB 3.68Å; L493-K578 HydrophobicContact CB-CD 4.49Å; L493-K578 HydrophobicContact CD1-CB 4.14Å; L493-K578 HydrophobicContact CD1-CD 4.14Å; L493-K578 HydrophobicContact CD1-CG 3.77Å; L493-K578 HydrophobicContact CG-CB 4.34Å; L493-K578 HydrophobicContact CG-CD 3.96Å; L493-K578 HydrophobicContact CG-CG 4.07Å; L493-V580 HydrophobicContact CB-CG2 4.48Å; L493-V580 HydrophobicContact CD1-CG2 3.53Å
494	Y	61.4	Low	80.2	Confident	135 Å²	135	71 Å²	71	53%	0.529	37%	0.374	S	S	.	.	S	Bend	trans	-71.2	16.7	-176.6	-73.8	-93.4	0	0	0	113.9
495	H	65.3	Low	80.7	Confident	50 Å²	50	74 Å²	74	23%	0.231	39%	0.385	C	S	.	.	S	Bend	trans	-133	153.7	-173.3	-48.4	104.4	0	0	0	108.7	L493 L499 L508	L493-H495 PolarHBondContact O-N 3.19Å; H495-L499 HydrophobicContact CB-CD1 4.48Å; H495-L499 HydrophobicContact CB-CD2 4.37Å; H495-L508 PolarHBondContact CE1-O 3.36Å; H495-L508 PolarHBondContact NE2-O 3.06Å
496	E	70	Confident	81.2	Confident	160 Å²	160	75.5 Å²	75.5	75%	0.748	39%	0.385	S	S	*	.			trans	-57.7	159.6	164.7	-68.3	171.7	-162.6	0	0	110.7	V498	E496-V498 WeakPolarHBondContact CB-O 3.38Å; E496-V498 PolarHBondContact O-N 3.48Å; E496-V498 VanDerWaalsContact O-N 3.15Å
497	D	82.6	Confident	81.7	Confident	98 Å²	98	72.3 Å²	72.3	52%	0.524	37%	0.368	S	S	.	.	S	Bend	trans	-66.9	-14.5	179.5	-65.7	-20.8	0	0	0	112.3	K578 V580 Q581	D497-K578 WeakPolarHBondContact OD1-CE 3.33Å; D497-K578 IonicContact OD1-NZ 3.72Å; D497-K578 PolarHBondContact OD1-NZ 3.06Å; D497-V580 WeakPolarHBondContact O-CA 3.45Å; D497-Q581 PolarHBondContact O-N 2.76Å
498	V	89	Confident	82.2	Confident	53 Å²	53	72.1 Å²	72.1	32%	0.321	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	119.9	166	-175	0	0	0	0	109	E496 Q581 I583	E496-V498 WeakPolarHBondContact CB-O 3.38Å; E496-V498 PolarHBondContact O-N 3.48Å; E496-V498 VanDerWaalsContact O-N 3.15Å; V498-Q581 CarbonylContact C-O 3.58Å; V498-Q581 WeakPolarHBondContact CA-O 3.26Å; V498-Q581 HydrophobicContact CG2-CB 4.32Å; V498-I583 HydrophobicContact CG1-CD1 3.51Å; V498-I583 HydrophobicContact CG1-CG1 4.02Å
499	L	91.8	Very high	82.8	Confident	38 Å²	38	70.8 Å²	70.8	20%	0.199	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	120.1	179.8	179.4	61.5	0	0	0	110.4	H495 V501 L507 L509 V580 Q581 V582 I583	H495-L499 HydrophobicContact CB-CD1 4.48Å; H495-L499 HydrophobicContact CB-CD2 4.37Å; L499-V501 HydrophobicContact CD2-CG2 4.44Å; L499-V501 HydrophobicContact CG-CG2 4.11Å; L499-L507 HydrophobicContact CD2-CD1 3.54Å; L499-L509 HydrophobicContact CD2-CD2 3.82Å; L499-V580 HydrophobicContact CB-CG1 3.73Å; L499-Q581 PolarHBondContact N-O 2.92Å; L499-V582 WeakPolarHBondContact O-CA 3.21Å; L499-I583 PolarHBondContact O-N 3.05Å
500	K	92.2	Very high	83.3	Confident	141 Å²	141	66.4 Å²	66.4	61%	0.613	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	123.9	179.1	-68.1	171.5	-176.2	170.4	0	110.6	I583	K500-I583 CarbonylContact C-O 3.59Å; K500-I583 WeakPolarHBondContact CA-O 3.45Å; K500-I583 HydrophobicContact CG-CB 4.27Å
501	V	92.4	Very high	83.7	Confident	16 Å²	16	65 Å²	65	10%	0.097	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	153.1	-178.8	-173.2	0	0	0	0	108.5	L499 N505 L507 V582 I583 V584 K585	L499-V501 HydrophobicContact CD2-CG2 4.44Å; L499-V501 HydrophobicContact CG-CG2 4.11Å; V501-N505 HydrophobicContact CG1-CB 3.89Å; V501-L507 HydrophobicContact CG2-CD1 4.25Å; V501-V582 HydrophobicContact CG2-CG1 4.34Å; V501-I583 PolarHBondContact N-O 3.36Å; V501-V584 CarbonylContact O-C 3.52Å; V501-V584 WeakPolarHBondContact O-CA 3.41Å; V501-K585 PolarHBondContact O-N 3.02Å
502	N	93.2	Very high	84.5	Confident	81 Å²	81	63 Å²	63	43%	0.433	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	145.1	170.8	-64.5	-2.9	0	0	0	109.6	N505	N502-N505 WeakPolarHBondContact O-CB 3.39Å; N502-N505 PolarHBondContact O-N 3.21Å; N502-N505 VanDerWaalsContact O-N 3.15Å
503	E	92.1	Very high	85.8	Confident	52 Å²	52	59.8 Å²	59.8	24%	0.243	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	137.8	171.3	-177.9	154.5	-120.9	0	0	111.2	V557 H558 T559 V584 K585 P586 A587	E503-V557 VanDerWaalsContact CA-O 3.3Å; E503-V557 WeakPolarHBondContact CA-O 3.02Å; E503-H558 WeakPolarHBondContact OE1-CA 3.44Å; E503-H558 IonicContact OE1-ND1 2.61Å; E503-T559 PolarHBondContact OE1-N 3.47Å; E503-T559 PolarHBondContact OE1-OG1 2.7Å; E503-V584 HydrophobicContact CB-CG1 4.06Å; E503-K585 VanDerWaalsContact CB-O 3.3Å; E503-K585 WeakPolarHBondContact CB-O 3.26Å; E503-K585 PolarHBondContact N-O 3.21Å; E503-P586 WeakPolarHBondContact OE2-CA 3.33Å; E503-A587 PolarHBondContact OE2-N 3.37Å
504	G	89.7	Confident	86.9	Confident	41 Å²	41	67 Å²	67	42%	0.423	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.7	-23.1	-172.2	0	0	0	0	0	115.2	N556 V557	G504-N556 WeakPolarHBondContact CA-OD1 3.43Å; G504-V557 PolarHBondContact N-O 2.86Å
505	N	92.3	Very high	88	Confident	85 Å²	85	60.7 Å²	60.7	46%	0.455	30%	0.303	S	S	.	.	S	Bend	trans	-76.8	163.4	178	-70.2	2.5	0	0	0	112.4	V501 N502 V557	V501-N505 HydrophobicContact CG1-CB 3.89Å; N502-N505 WeakPolarHBondContact O-CB 3.39Å; N502-N505 PolarHBondContact O-N 3.21Å; N502-N505 VanDerWaalsContact O-N 3.15Å; N505-V557 VanDerWaalsContact O-CB 3.27Å; N505-V557 WeakPolarHBondContact O-CB 3.41Å; N505-V557 WeakPolarHBondContact O-CG2 3.22Å; N505-V557 PolarHBondContact O-N 3.24Å
506	D	91.3	Very high	88.7	Confident	88 Å²	88	59.7 Å²	59.7	47%	0.471	30%	0.297	S	S	.	.			trans	-84.3	143.6	169.1	-90.6	35.2	0	0	0	112.1	Q553 S555 N556	D506-Q553 PolarHBondContact OD2-NE2 2.87Å; D506-S555 WeakPolarHBondContact OD1-CA 3.29Å; D506-S555 VanDerWaalsContact OD1-CB 3.24Å; D506-S555 WeakPolarHBondContact OD1-CB 3.33Å; D506-S555 WeakPolarHBondContact OD2-CB 3.46Å; D506-N556 PolarHBondContact OD1-N 3.23Å
507	L	91.5	Very high	89.4	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	131.7	172.9	166.2	71.4	0	0	0	110	L499 V501 L509 Q553 L554 V557 Y565 V582	L499-L507 HydrophobicContact CD2-CD1 3.54Å; V501-L507 HydrophobicContact CG2-CD1 4.25Å; L507-L509 HydrophobicContact CD1-CD2 4Å; L507-L509 HydrophobicContact CD1-CG 3.97Å; L507-L509 HydrophobicContact CD2-CD1 4.48Å; L507-L509 HydrophobicContact CG-CG 4.27Å; L507-Q553 CarbonylContact O-C 3.34Å; L507-Q553 WeakPolarHBondContact O-CA 3.45Å; L507-L554 HydrophobicContact CB-CB 4.29Å; L507-L554 HydrophobicContact CD2-CB 4.31Å; L507-L554 HydrophobicContact CD2-CD2 4.26Å; L507-L554 PolarHBondContact N-O 3.14Å; L507-L554 PolarHBondContact O-N 3.24Å; L507-V557 HydrophobicContact CB-CG2 3.56Å; L507-Y565 HydrophobicContact CD2-CE1 4.43Å; L507-Y565 HydrophobicContact CD2-CE2 4.44Å; L507-V582 HydrophobicContact CD1-CG1 4.42Å; L507-V582 HydrophobicContact CD1-CG2 4.08Å; L507-V582 HydrophobicContact CD2-CG1 4.19Å; L507-V582 HydrophobicContact CD2-CG2 4.06Å
508	L	91.4	Very high	89.2	Confident	78 Å²	78	49 Å²	49	41%	0.408	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	101.7	176	-179.6	64.5	0	0	0	111.6	H495 K551 L552 Q553	H495-L508 PolarHBondContact CE1-O 3.36Å; H495-L508 PolarHBondContact NE2-O 3.06Å; L508-K551 HydrophobicContact CD1-CB 4.06Å; L508-K551 HydrophobicContact CD1-CD 4.28Å; L508-K551 HydrophobicContact CD1-CG 4.43Å; L508-L552 CarbonylContact C-O 3.57Å; L508-L552 WeakPolarHBondContact CA-O 3.42Å; L508-Q553 HydrophobicContact CD1-CB 4.04Å
509	L	91.9	Very high	89	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	133	174.3	-63.2	178	0	0	0	110.8	L499 L507 W523 K551 L552 Y565 V580 V582	L499-L509 HydrophobicContact CD2-CD2 3.82Å; L507-L509 HydrophobicContact CD1-CD2 4Å; L507-L509 HydrophobicContact CD1-CG 3.97Å; L507-L509 HydrophobicContact CD2-CD1 4.48Å; L507-L509 HydrophobicContact CG-CG 4.27Å; L509-W523 HydrophobicContact CB-CH2 3.66Å; L509-W523 HydrophobicContact CB-CZ3 3.91Å; L509-W523 HydrophobicContact CD1-CZ3 4.3Å; L509-K551 CarbonylContact O-C 3.57Å; L509-K551 WeakPolarHBondContact O-CA 3.39Å; L509-L552 HydrophobicContact CB-CB 4.41Å; L509-L552 HydrophobicContact CD1-CD2 4.38Å; L509-L552 PolarHBondContact N-O 3.35Å; L509-L552 PolarHBondContact O-N 3.49Å; L509-Y565 HydrophobicContact CD1-CD1 3.89Å; L509-Y565 HydrophobicContact CD1-CD2 4.32Å; L509-Y565 HydrophobicContact CD1-CG 3.62Å; L509-V580 HydrophobicContact CD2-CG1 4.38Å; L509-V582 HydrophobicContact CD1-CG2 4.34Å
510	S	91.2	Very high	88.8	Confident	21 Å²	21	50.2 Å²	50.2	15%	0.147	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	113.5	-171.4	-179.4	0	0	0	0	111.4	L493	L493-S510 WeakPolarHBondContact CD2-O 3.22Å
511	C	90.1	Very high	88.6	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	113.7	-174	-174.7	0	0	0	0	111.8	L493 W523 L549 S550 C567	L493-C511 VanDerWaalsContact CD2-CA 3.5Å; L493-C511 HydrophobicContact CD2-CB 3.68Å; C511-W523 HydrophobicContact CB-CH2 3.73Å; C511-W523 HydrophobicContact CB-CZ2 3.54Å; C511-L549 CarbonylContact O-C 3.52Å; C511-L549 WeakPolarHBondContact O-CA 3.38Å; C511-S550 PolarHBondContact N-O 2.95Å; C511-S550 PolarHBondContact O-N 2.86Å; C511-C567 HydrophobicContact CB-CB 3.69Å; C511-C567 WeakPolarHBondContact CB-SG 3.4Å; C511-C567 WeakPolarHBondContact SG-CB 3.38Å; C511-C567 CovalentContact SG-SG 2.03Å; C511-C567 PolarHBondContact SG-SG 2.87Å
512	R	90.8	Very high	88.6	Confident	109 Å²	109	43.2 Å²	43.2	41%	0.411	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	120.5	-175.2	-167.6	177.7	-174.6	164.4	2.9	111.5	R491 Y548 L549	R491-R512 PolarHBondContact N-O 2.99Å; R512-Y548 WeakPolarHBondContact CA-O 3.18Å; R512-Y548 WeakPolarHBondContact CG-O 3.48Å; R512-L549 HydrophobicContact CB-CD1 4.02Å; R512-L549 HydrophobicContact CG-CD1 4.32Å
513	V	88.4	Confident	88.5	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	145.5	-169.9	-166.1	0	0	0	0	110.6	L488 Q489 M490 P519 I521 Y548 A569 I576	L488-V513 HydrophobicContact CD2-CG1 4.46Å; Q489-V513 CarbonylContact O-C 3.54Å; Q489-V513 WeakPolarHBondContact O-CA 3.42Å; M490-V513 HydrophobicContact CB-CG2 4.37Å; M490-V513 HydrophobicContact CE-CG2 3.67Å; M490-V513 HydrophobicContact CG-CG2 4.11Å; V513-P519 HydrophobicContact CB-CG 4.34Å; V513-P519 HydrophobicContact CG1-CG 4.06Å; V513-I521 HydrophobicContact CB-CD1 4.4Å; V513-I521 HydrophobicContact CG2-CD1 4.19Å; V513-Y548 PolarHBondContact N-O 2.59Å; V513-Y548 VanDerWaalsContact O-CA 3.29Å; V513-Y548 WeakPolarHBondContact O-CA 3.11Å; V513-Y548 VanDerWaalsContact O-CB 3.26Å; V513-Y548 WeakPolarHBondContact O-CB 3.26Å; V513-Y548 WeakPolarHBondContact O-CD1 3.46Å; V513-A569 HydrophobicContact CB-CB 4.26Å; V513-A569 HydrophobicContact CG1-CB 3.82Å; V513-A569 HydrophobicContact CG2-CB 3.81Å; V513-I576 HydrophobicContact CG1-CG2 4.36Å
514	R	86.9	Confident	88.6	Confident	158 Å²	158	39.7 Å²	39.7	60%	0.596	20%	0.199	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-123.4	158.1	169.8	-71	175.7	169.7	166	-6.7	109.8	L488 Q489	L488-R514 WeakPolarHBondContact CA-O 3.31Å; Q489-R514 HydrophobicContact CB-CB 4.48Å; Q489-R514 PolarHBondContact N-O 2.81Å; Q489-R514 PolarHBondContact O-N 3.05Å
515	G	83.4	Confident	88.7	Confident	2 Å²	2	38.7 Å²	38.7	2%	0.021	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149.2	153.1	177.3	0	0	0	0	0	109.9	P487 P517	P487-G515 WeakPolarHBondContact O-CA 3.46Å; G515-P517 CarbonylContact C-O 3.57Å
516	R	81.4	Confident	88.6	Confident	28 Å²	28	39.2 Å²	39.2	11%	0.106	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	118.9	-172.5	-63.4	171.7	75	-139.6	-4.5	109.1	E371 L375 G484 A485 D486 N573	E371-R516 IonicContact OE1-CZ 3.18Å; E371-R516 IonicContact OE1-NE 2.82Å; E371-R516 PolarHBondContact OE1-NE 3.29Å; E371-R516 IonicContact OE1-NH2 2.69Å; E371-R516 PolarHBondContact OE1-NH2 3.17Å; L375-R516 HydrophobicContact CD1-CB 4.12Å; G484-R516 PolarHBondContact O-NH1 2.82Å; A485-R516 CarbonylContact C-O 3.57Å; A485-R516 VanDerWaalsContact CA-O 3.26Å; A485-R516 WeakPolarHBondContact CA-O 3.18Å; A485-R516 VanDerWaalsContact CB-O 3.31Å; A485-R516 WeakPolarHBondContact CB-O 3.27Å; D486-R516 HydrophobicContact CB-CB 3.98Å; D486-R516 HydrophobicContact CB-CG 4.17Å; D486-R516 PolarHBondContact N-O 2.96Å; D486-R516 PolarHBondContact O-N 2.89Å; D486-R516 VanDerWaalsContact O-N 3.09Å; D486-R516 WeakPolarHBondContact OD2-CD 3.26Å; D486-R516 IonicContact OD2-NH1 3.87Å; R516-N573 PolarHBondContact O-ND2 3.16Å
517	P	83.6	Confident	88.4	Confident	5 Å²	5	43.8 Å²	43.8	3%	0.032	21%	0.206	C	C	.	.	S	Bend	cis	-53.4	150.2	5.4	-29.1	37.3	0	0	0	115.9	T372 L375 L376 G515 N571	T372-P517 HydrophobicContact CG2-CB 4.03Å; L375-P517 HydrophobicContact CB-CG 4.21Å; L375-P517 HydrophobicContact CD1-CG 4.15Å; L376-P517 HydrophobicContact CD1-CG 4.41Å; L376-P517 HydrophobicContact CD2-CG 4.17Å; L376-P517 HydrophobicContact CG-CG 4.12Å; G515-P517 CarbonylContact C-O 3.57Å; P517-N571 PolarHBondContact O-ND2 2.86Å
518	T	79.7	Confident	88.4	Confident	28 Å²	28	48.4 Å²	48.4	17%	0.172	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-55.1	128.9	-179.2	-72.9	0	0	0	0	109.8	E371 R547 Y548	E371-T518 PolarHBondContact OE2-OG1 2.84Å; T518-R547 HydrophobicContact CG2-CB 3.79Å; T518-R547 HydrophobicContact CG2-CG 4.35Å; T518-R547 WeakPolarHBondContact CG2-O 3.22Å; T518-Y548 HydrophobicContact CG2-CE1 4.49Å; T518-Y548 PolarHBondContact OG1-OH 2.94Å
519	P	84.6	Confident	88.3	Confident	8 Å²	8	48.5 Å²	48.5	5%	0.052	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-70.7	142.6	-176.6	25.2	-32.5	0	0	0	113.6	L488 V513 A569 E570	L488-P519 HydrophobicContact CD2-CB 3.82Å; L488-P519 HydrophobicContact CD2-CG 4.22Å; V513-P519 HydrophobicContact CB-CG 4.34Å; V513-P519 HydrophobicContact CG1-CG 4.06Å; P519-A569 HydrophobicContact CB-CB 4.26Å; P519-E570 CarbonylContact C-O 3.47Å; P519-E570 VanDerWaalsContact CA-O 3.26Å; P519-E570 WeakPolarHBondContact CA-O 3.37Å
520	L	85.9	Confident	88.1	Confident	109 Å²	109	48.9 Å²	48.9	57%	0.571	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72	132.8	157.4	-169.3	77	0	0	0	107.9	A569 E570	L520-A569 CarbonylContact O-C 3.59Å; L520-A569 VanDerWaalsContact O-CA 3.27Å; L520-A569 WeakPolarHBondContact O-CA 3.35Å; L520-E570 HydrophobicContact CB-CG 4.1Å; L520-E570 PolarHBondContact N-O 2.86Å; L520-E570 PolarHBondContact O-N 3.09Å
521	I	89.2	Confident	87.7	Confident	8 Å²	8	55 Å²	55	4%	0.041	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	125.9	176.3	-54.7	177	0	0	0	109.2	V513 K545 L568 A569	V513-I521 HydrophobicContact CB-CD1 4.4Å; V513-I521 HydrophobicContact CG2-CD1 4.19Å; I521-K545 VanDerWaalsContact O-CE 3.29Å; I521-K545 WeakPolarHBondContact O-CE 3.24Å; I521-K545 PolarHBondContact O-NZ 3.18Å; I521-L568 WeakPolarHBondContact CA-O 3.44Å; I521-A569 HydrophobicContact CG1-CB 4.18Å
522	S	91	Very high	87.2	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.014	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	155.5	175.8	46.8	0	0	0	0	110.8	E529 L568	S522-E529 WeakPolarHBondContact CB-OE1 3.33Å; S522-L568 PolarHBondContact N-O 3.43Å; S522-L568 PolarHBondContact O-N 3.15Å
523	W	92.9	Very high	86.2	Confident	1 Å²	1	57 Å²	57	0%	0.004	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	143.7	179.1	-73.1	95	0	0	0	109.4	L509 C511 I530 S550 L552 T566 C567	L509-W523 HydrophobicContact CB-CH2 3.66Å; L509-W523 HydrophobicContact CB-CZ3 3.91Å; L509-W523 HydrophobicContact CD1-CZ3 4.3Å; C511-W523 HydrophobicContact CB-CH2 3.73Å; C511-W523 HydrophobicContact CB-CZ2 3.54Å; W523-I530 HydrophobicContact CB-CD1 3.95Å; W523-I530 HydrophobicContact CB-CG1 3.63Å; W523-I530 WeakPolarHBondContact O-CG1 3.49Å; W523-I530 PolarHBondContact O-N 3.3Å; W523-S550 PolarHBondContact NE1-OG 3.32Å; W523-L552 HydrophobicContact CD2-CB 3.97Å; W523-L552 HydrophobicContact CD2-CD2 4.06Å; W523-L552 HydrophobicContact CE3-CB 4.35Å; W523-L552 HydrophobicContact CE3-CD2 3.9Å; W523-L552 HydrophobicContact CG-CB 4.42Å; W523-L552 HydrophobicContact CG-CD2 4.4Å; W523-L552 HydrophobicContact CH2-CB 4.32Å; W523-L552 HydrophobicContact CZ2-CB 3.94Å; W523-L552 HydrophobicContact CZ3-CD2 4.38Å; W523-T566 CarbonylContact C-O 3.58Å; W523-T566 WeakPolarHBondContact CA-O 3.44Å; W523-C567 HydrophobicContact CD2-CB 4.37Å; W523-C567 HydrophobicContact CE3-CB 4Å; W523-C567 HydrophobicContact CH2-CB 4.07Å; W523-C567 HydrophobicContact CZ2-CB 4.42Å; W523-C567 HydrophobicContact CZ3-CB 3.84Å
524	Y	92.7	Very high	85.3	Confident	59 Å²	59	58.5 Å²	58.5	23%	0.231	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	142.8	178.9	-67.4	-103.7	0	0	0	109.9	Q527 T528 E529 Y565 T566 L568	Y524-Q527 WeakPolarHBondContact CD1-O 3.42Å; Y524-T528 CarbonylContact C-O 3.52Å; Y524-T528 WeakPolarHBondContact CA-O 3.41Å; Y524-E529 HydrophobicContact CD1-CB 3.95Å; Y524-E529 HydrophobicContact CE1-CB 3.61Å; Y524-E529 HydrophobicContact CE1-CG 4.13Å; Y524-E529 HydrophobicContact CE2-CG 4.32Å; Y524-Y565 CarbonylContact O-C 3.32Å; Y524-Y565 WeakPolarHBondContact O-CA 3.29Å; Y524-T566 PolarHBondContact N-O 3.02Å; Y524-T566 PolarHBondContact O-N 3.05Å; Y524-L568 HydrophobicContact CD2-CB 4.1Å; Y524-L568 HydrophobicContact CE2-CB 3.76Å; Y524-L568 HydrophobicContact CE2-CD2 3.68Å; Y524-L568 HydrophobicContact CE2-CG 4.37Å
525	V	92.3	Very high	84.4	Confident	20 Å²	20	53.8 Å²	53.8	12%	0.121	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	119.5	174.1	-178.1	0	0	0	0	107.1	Q527 T528 I530 W534 A563 Y565	V525-Q527 PolarHBondContact O-N 2.96Å; V525-Q527 VanDerWaalsContact O-N 3.16Å; V525-T528 PolarHBondContact N-O 2.96Å; V525-T528 PolarHBondContact O-N 3.22Å; V525-I530 HydrophobicContact CB-CG2 4.11Å; V525-I530 HydrophobicContact CG2-CD1 3.84Å; V525-I530 HydrophobicContact CG2-CG1 4.22Å; V525-I530 HydrophobicContact CG2-CG2 3.7Å; V525-W534 HydrophobicContact CB-CZ2 4.43Å; V525-W534 HydrophobicContact CG1-CZ2 4.32Å; V525-W534 HydrophobicContact CG2-CH2 4.05Å; V525-W534 HydrophobicContact CG2-CZ2 3.92Å; V525-A563 HydrophobicContact CG1-CB 3.5Å; V525-Y565 HydrophobicContact CG1-CE1 4.36Å; V525-Y565 HydrophobicContact CG2-CD1 3.68Å; V525-Y565 HydrophobicContact CG2-CE1 3.68Å
526	N	90.5	Very high	83.3	Confident	96 Å²	96	60.3 Å²	60.3	51%	0.513	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	48	43.4	-174.9	-65.7	-17.8	0	0	0	113.1	T528 A563 N564	N526-T528 VanDerWaalsContact C-N 3.3Å; N526-T528 PolarHBondContact O-N 3.4Å; N526-A563 WeakPolarHBondContact OD1-CA 3.44Å; N526-A563 WeakPolarHBondContact OD1-CB 3.25Å; N526-N564 PolarHBondContact N-O 2.89Å; N526-N564 PolarHBondContact OD1-N 2.8Å
527	Q	87.5	Confident	82.2	Confident	183 Å²	183	68.1 Å²	68.1	86%	0.855	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	-0.5	-177.2	-45.6	-178.9	42	0	0	116.9	Y524 V525	Y524-Q527 WeakPolarHBondContact CD1-O 3.42Å; V525-Q527 PolarHBondContact O-N 2.96Å; V525-Q527 VanDerWaalsContact O-N 3.16Å
528	T	90.2	Very high	81.2	Confident	99 Å²	99	71.2 Å²	71.2	61%	0.607	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	130.5	173.4	-58.1	0	0	0	0	110.6	Y524 V525 N526	Y524-T528 CarbonylContact C-O 3.52Å; Y524-T528 WeakPolarHBondContact CA-O 3.41Å; V525-T528 PolarHBondContact N-O 2.96Å; V525-T528 PolarHBondContact O-N 3.22Å; N526-T528 VanDerWaalsContact C-N 3.3Å; N526-T528 PolarHBondContact O-N 3.4Å
529	E	89.3	Confident	80.5	Confident	81 Å²	81	70.7 Å²	70.7	38%	0.379	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	133.6	177.7	-165	-164.8	-160.1	0	0	110.6	S522 Y524 K531	S522-E529 WeakPolarHBondContact CB-OE1 3.33Å; Y524-E529 HydrophobicContact CD1-CB 3.95Å; Y524-E529 HydrophobicContact CE1-CB 3.61Å; Y524-E529 HydrophobicContact CE1-CG 4.13Å; Y524-E529 HydrophobicContact CE2-CG 4.32Å; E529-K531 WeakPolarHBondContact OE2-CE 3.48Å
530	I	89.1	Confident	80.3	Confident	8 Å²	8	71.8 Å²	71.8	4%	0.041	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	131.8	173.8	62	160.9	0	0	0	111.5	W523 V525 W534 I543 L552	W523-I530 HydrophobicContact CB-CD1 3.95Å; W523-I530 HydrophobicContact CB-CG1 3.63Å; W523-I530 WeakPolarHBondContact O-CG1 3.49Å; W523-I530 PolarHBondContact O-N 3.3Å; V525-I530 HydrophobicContact CB-CG2 4.11Å; V525-I530 HydrophobicContact CG2-CD1 3.84Å; V525-I530 HydrophobicContact CG2-CG1 4.22Å; V525-I530 HydrophobicContact CG2-CG2 3.7Å; I530-W534 HydrophobicContact CB-CB 4.49Å; I530-W534 HydrophobicContact CB-CD2 4.35Å; I530-W534 HydrophobicContact CB-CG 3.93Å; I530-W534 HydrophobicContact CD1-CB 4.42Å; I530-W534 HydrophobicContact CD1-CD2 3.8Å; I530-W534 HydrophobicContact CD1-CE3 3.93Å; I530-W534 HydrophobicContact CD1-CG 4Å; I530-W534 HydrophobicContact CG2-CD2 4.23Å; I530-W534 HydrophobicContact CG2-CG 4.14Å; I530-W534 HydrophobicContact CG2-CZ2 4.41Å; I530-W534 VanDerWaalsContact CG2-NE1 3.32Å; I530-I543 HydrophobicContact CB-CD1 4.49Å; I530-I543 HydrophobicContact CD1-CD1 3.91Å; I530-I543 HydrophobicContact CG1-CD1 3.89Å; I530-I543 WeakPolarHBondContact O-CD1 3.44Å; I530-L552 HydrophobicContact CD1-CD1 3.91Å; I530-L552 HydrophobicContact CD1-CD2 3.88Å
531	K	82.9	Confident	80.2	Confident	150 Å²	150	66.6 Å²	66.6	65%	0.652	33%	0.334	S	S	*	.			trans	-102.3	170.6	179.1	-67.9	173.9	177	167.6	0	110.2	E529 P533 W534	E529-K531 WeakPolarHBondContact OE2-CE 3.48Å; K531-P533 CarbonylContact O-C 3.59Å; K531-P533 VanDerWaalsContact O-O 3.13Å; K531-W534 WeakPolarHBondContact O-CA 3.43Å; K531-W534 WeakPolarHBondContact O-CB 3.29Å; K531-W534 PolarHBondContact O-N 2.99Å
532	N	78	Confident	80.1	Confident	91 Å²	91	67.8 Å²	67.8	49%	0.487	34%	0.34	S	S	.	.	S	Bend	trans	-108.1	131.3	-178.4	-169.5	61.5	0	0	0	110.9	I543	N532-I543 HydrophobicContact CB-CB 4.1Å; N532-I543 PolarHBondContact OD1-N 3.44Å; N532-I543 PolarHBondContact OD1-O 3.02Å
533	P	70.5	Confident	79.9	Confident	59 Å²	59	68 Å²	68	38%	0.383	34%	0.341	S	S	.	.	S	Bend	cis	-63.2	149.9	-10.2	-17.5	31	0	0	0	112.4	K531 L536	K531-P533 CarbonylContact O-C 3.59Å; K531-P533 VanDerWaalsContact O-O 3.13Å; P533-L536 HydrophobicContact CB-CD2 4.02Å; P533-L536 HydrophobicContact CG-CD2 3.93Å
534	W	70	Confident	79.4	Confident	34 Å²	34	71 Å²	71	13%	0.129	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-97.5	136.3	171.4	179.5	47.8	0	0	0	109.3	V525 I530 K531 G541 L552 L554 Y565	V525-W534 HydrophobicContact CB-CZ2 4.43Å; V525-W534 HydrophobicContact CG1-CZ2 4.32Å; V525-W534 HydrophobicContact CG2-CH2 4.05Å; V525-W534 HydrophobicContact CG2-CZ2 3.92Å; I530-W534 HydrophobicContact CB-CB 4.49Å; I530-W534 HydrophobicContact CB-CD2 4.35Å; I530-W534 HydrophobicContact CB-CG 3.93Å; I530-W534 HydrophobicContact CD1-CB 4.42Å; I530-W534 HydrophobicContact CD1-CD2 3.8Å; I530-W534 HydrophobicContact CD1-CE3 3.93Å; I530-W534 HydrophobicContact CD1-CG 4Å; I530-W534 HydrophobicContact CG2-CD2 4.23Å; I530-W534 HydrophobicContact CG2-CG 4.14Å; I530-W534 HydrophobicContact CG2-CZ2 4.41Å; I530-W534 VanDerWaalsContact CG2-NE1 3.32Å; K531-W534 WeakPolarHBondContact O-CA 3.43Å; K531-W534 WeakPolarHBondContact O-CB 3.29Å; K531-W534 PolarHBondContact O-N 2.99Å; W534-G541 PolarHBondContact N-O 3.45Å; W534-G541 VanDerWaalsContact O-CA 3.24Å; W534-G541 WeakPolarHBondContact O-CA 3.29Å; W534-G541 PolarHBondContact O-N 3.37Å; W534-G541 VanDerWaalsContact O-N 3.12Å; W534-G541 VanDerWaalsContact O-O 3.12Å; W534-L552 HydrophobicContact CE3-CD1 4.18Å; W534-L554 HydrophobicContact CE3-CD1 4.39Å; W534-L554 HydrophobicContact CH2-CD2 4.39Å; W534-L554 HydrophobicContact CZ3-CB 4.42Å; W534-L554 HydrophobicContact CZ3-CD1 3.97Å; W534-L554 HydrophobicContact CZ3-CD2 4Å; W534-L554 HydrophobicContact CZ3-CG 4.36Å; W534-Y565 AromaticContact CH2-CE1 3.8Å; W534-Y565 HydrophobicContact CH2-CE1 3.8Å; W534-Y565 AromaticContact CZ3-CE1 3.9Å; W534-Y565 HydrophobicContact CZ3-CE1 3.9Å
535	R	68.4	Low	78.9	Confident	59 Å²	59	73.5 Å²	73.5	22%	0.223	37%	0.367	C	S	.	.	S	Bend	trans	57.9	63.9	-170	-58.6	171.3	167.8	-176.9	-11.7	111.9	E537 T538 G539 D561	R535-E537 PolarHBondContact O-N 3.44Å; R535-E537 VanDerWaalsContact O-N 3.16Å; R535-T538 PolarHBondContact O-N 3.26Å; R535-G539 PolarHBondContact O-N 3.13Å; R535-D561 IonicContact CZ-OD1 2.79Å; R535-D561 IonicContact CZ-OD2 3.15Å; R535-D561 IonicContact NH1-OD1 2.76Å; R535-D561 PolarHBondContact NH1-OD1 2.9Å; R535-D561 IonicContact NH1-OD2 2.7Å; R535-D561 PolarHBondContact NH1-OD2 3.45Å; R535-D561 IonicContact NH2-OD1 3.44Å; R535-D561 PolarHBondContact NH2-OD1 3.22Å
536	L	60.6	Low	78.4	Confident	139 Å²	139	76.4 Å²	76.4	73%	0.728	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.7	-41.5	175.5	-73	163.8	0	0	0	112.4	P533 T538	P533-L536 HydrophobicContact CB-CD2 4.02Å; P533-L536 HydrophobicContact CG-CD2 3.93Å; L536-T538 VanDerWaalsContact C-N 3.27Å; L536-T538 PolarHBondContact O-N 2.95Å
537	E	57.6	Low	77.6	Confident	192 Å²	192	79.3 Å²	79.3	90%	0.897	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-31.6	177.6	-66	154.1	-154.4	0	0	114.7	R535	R535-E537 PolarHBondContact O-N 3.44Å; R535-E537 VanDerWaalsContact O-N 3.16Å
538	T	61.5	Low	77.4	Confident	70 Å²	70	74.5 Å²	74.5	43%	0.429	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	-6.4	-174.9	76	0	0	0	0	113.8	R535 L536 R540	R535-T538 PolarHBondContact O-N 3.26Å; L536-T538 VanDerWaalsContact C-N 3.27Å; L536-T538 PolarHBondContact O-N 2.95Å; T538-R540 WeakPolarHBondContact O-CG 3.42Å; T538-R540 PolarHBondContact O-N 3.45Å; T538-R540 WeakPolarHBondContact OG1-CG 3.45Å; T538-R540 PolarHBondContact OG1-NE 3.48Å
539	G	66.7	Low	77.3	Confident	16 Å²	16	72.6 Å²	72.6	17%	0.165	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	6.4	-178.3	0	0	0	0	0	116	R535	R535-G539 PolarHBondContact O-N 3.13Å
540	R	80.3	Confident	77.3	Confident	32 Å²	32	68.8 Å²	68.8	12%	0.121	34%	0.335	C	S	.	.			trans	-76.1	-25.7	-168.8	-69.5	-171.4	-63.2	128.5	-5.3	113.8	T538 L554 S555 N556 D561	T538-R540 WeakPolarHBondContact O-CG 3.42Å; T538-R540 PolarHBondContact O-N 3.45Å; T538-R540 WeakPolarHBondContact OG1-CG 3.45Å; T538-R540 PolarHBondContact OG1-NE 3.48Å; R540-L554 HydrophobicContact CB-CD1 3.79Å; R540-L554 WeakPolarHBondContact O-CA 3.05Å; R540-S555 WeakPolarHBondContact CD-O 3.5Å; R540-S555 PolarHBondContact O-N 3.13Å; R540-N556 PolarHBondContact NH1-O 3.25Å; R540-D561 IonicContact CZ-OD2 2.76Å; R540-D561 IonicContact NH1-OD2 2.77Å; R540-D561 PolarHBondContact NH1-OD2 3.44Å; R540-D561 IonicContact NH2-OD1 3.56Å; R540-D561 IonicContact NH2-OD2 3.99Å
541	G	83.7	Confident	77.4	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	117	-173.2	0	0	0	0	0	114.2	W534 Q553	W534-G541 PolarHBondContact N-O 3.45Å; W534-G541 VanDerWaalsContact O-CA 3.24Å; W534-G541 WeakPolarHBondContact O-CA 3.29Å; W534-G541 PolarHBondContact O-N 3.37Å; W534-G541 VanDerWaalsContact O-N 3.12Å; W534-G541 VanDerWaalsContact O-O 3.12Å; G541-Q553 WeakPolarHBondContact CA-O 3.34Å
542	I	85.8	Confident	77.8	Confident	33 Å²	33	63 Å²	63	17%	0.169	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	124.6	179.3	-57.1	177.9	0	0	0	110.1	Q544 Q553 Y622	I542-Q544 HydrophobicContact CG2-CG 4.34Å; I542-Q553 PolarHBondContact N-O 2.9Å; I542-Q553 PolarHBondContact O-N 3.5Å; I542-Y622 HydrophobicContact CD1-CE2 4.43Å
543	I	86.8	Confident	78.5	Confident	7 Å²	7	60.3 Å²	60.3	4%	0.036	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	107.5	175.5	-50.9	172.9	0	0	0	109.5	I530 N532 K545 K551 L552	I530-I543 HydrophobicContact CB-CD1 4.49Å; I530-I543 HydrophobicContact CD1-CD1 3.91Å; I530-I543 HydrophobicContact CG1-CD1 3.89Å; I530-I543 WeakPolarHBondContact O-CD1 3.44Å; N532-I543 HydrophobicContact CB-CB 4.1Å; N532-I543 PolarHBondContact OD1-N 3.44Å; N532-I543 PolarHBondContact OD1-O 3.02Å; I543-K545 HydrophobicContact CG2-CG 3.98Å; I543-K551 CarbonylContact C-O 3.43Å; I543-K551 WeakPolarHBondContact CA-O 3.29Å; I543-L552 HydrophobicContact CG1-CD1 3.87Å
544	Q	83.7	Confident	79.5	Confident	63 Å²	63	57.5 Å²	57.5	29%	0.294	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	131.2	170.2	-58.4	-178.6	-9.2	0	0	109.4	I542 S550 K551 I624	I542-Q544 HydrophobicContact CG2-CG 4.34Å; Q544-S550 CarbonylContact O-C 3.54Å; Q544-S550 WeakPolarHBondContact O-CA 3.17Å; Q544-S550 WeakPolarHBondContact O-CB 3.43Å; Q544-S550 PolarHBondContact O-OG 2.89Å; Q544-K551 HydrophobicContact CB-CB 4.32Å; Q544-K551 PolarHBondContact N-O 2.82Å; Q544-K551 PolarHBondContact O-N 2.61Å; Q544-I624 VanDerWaalsContact NE2-CD1 3.32Å
545	K	82.7	Confident	80.5	Confident	112 Å²	112	56.8 Å²	56.8	49%	0.487	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	135.4	178.5	-60.4	-168.4	-177.1	-171	0	111.5	I521 I543	I521-K545 VanDerWaalsContact O-CE 3.29Å; I521-K545 WeakPolarHBondContact O-CE 3.24Å; I521-K545 PolarHBondContact O-NZ 3.18Å; I543-K545 HydrophobicContact CG2-CG 3.98Å
546	S	80.9	Confident	81.5	Confident	80 Å²	80	57.5 Å²	57.5	56%	0.559	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.2	160.6	171.6	179.6	0	0	0	0	108.7	Y548 L549	S546-Y548 PolarHBondContact O-N 3.05Å; S546-L549 CarbonylContact C-O 3.59Å; S546-L549 WeakPolarHBondContact CA-O 3.43Å; S546-L549 WeakPolarHBondContact CB-O 3.42Å; S546-L549 PolarHBondContact N-O 3.18Å; S546-L549 PolarHBondContact O-N 3.45Å; S546-L549 VanDerWaalsContact O-N 3.15Å
547	R	74	Confident	82.9	Confident	158 Å²	158	50.9 Å²	50.9	60%	0.596	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.1	-33.8	-169.3	-57.2	-169.2	-155.1	-172.4	7	115	T518	T518-R547 HydrophobicContact CG2-CB 3.79Å; T518-R547 HydrophobicContact CG2-CG 4.35Å; T518-R547 WeakPolarHBondContact CG2-O 3.22Å
548	Y	83.5	Confident	84.5	Confident	82 Å²	82	44.8 Å²	44.8	32%	0.322	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.1	8.8	-173.1	-59.1	-57.7	0	0	0	113.3	R512 V513 T518 S546	R512-Y548 WeakPolarHBondContact CA-O 3.18Å; R512-Y548 WeakPolarHBondContact CG-O 3.48Å; V513-Y548 PolarHBondContact N-O 2.59Å; V513-Y548 VanDerWaalsContact O-CA 3.29Å; V513-Y548 WeakPolarHBondContact O-CA 3.11Å; V513-Y548 VanDerWaalsContact O-CB 3.26Å; V513-Y548 WeakPolarHBondContact O-CB 3.26Å; V513-Y548 WeakPolarHBondContact O-CD1 3.46Å; T518-Y548 HydrophobicContact CG2-CE1 4.49Å; T518-Y548 PolarHBondContact OG1-OH 2.94Å; S546-Y548 PolarHBondContact O-N 3.05Å
549	L	87.3	Confident	85.9	Confident	59 Å²	59	44.2 Å²	44.2	31%	0.309	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	129.2	-174.5	180	67.6	0	0	0	110.4	C511 R512 S546	C511-L549 CarbonylContact O-C 3.52Å; C511-L549 WeakPolarHBondContact O-CA 3.38Å; R512-L549 HydrophobicContact CB-CD1 4.02Å; R512-L549 HydrophobicContact CG-CD1 4.32Å; S546-L549 CarbonylContact C-O 3.59Å; S546-L549 WeakPolarHBondContact CA-O 3.43Å; S546-L549 WeakPolarHBondContact CB-O 3.42Å; S546-L549 PolarHBondContact N-O 3.18Å; S546-L549 PolarHBondContact O-N 3.45Å; S546-L549 VanDerWaalsContact O-N 3.15Å
550	S	90.2	Very high	87	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	135.4	163.2	-175.5	0	0	0	0	110.5	C511 W523 Q544	C511-S550 PolarHBondContact N-O 2.95Å; C511-S550 PolarHBondContact O-N 2.86Å; W523-S550 PolarHBondContact NE1-OG 3.32Å; Q544-S550 CarbonylContact O-C 3.54Å; Q544-S550 WeakPolarHBondContact O-CA 3.17Å; Q544-S550 WeakPolarHBondContact O-CB 3.43Å; Q544-S550 PolarHBondContact O-OG 2.89Å
551	K	91	Very high	87.5	Confident	37 Å²	37	47 Å²	47	16%	0.161	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132.6	168	-64.3	179.9	-179.7	-178.1	0	107.8	L508 L509 I543 Q544 D625	L508-K551 HydrophobicContact CD1-CB 4.06Å; L508-K551 HydrophobicContact CD1-CD 4.28Å; L508-K551 HydrophobicContact CD1-CG 4.43Å; L509-K551 CarbonylContact O-C 3.57Å; L509-K551 WeakPolarHBondContact O-CA 3.39Å; I543-K551 CarbonylContact C-O 3.43Å; I543-K551 WeakPolarHBondContact CA-O 3.29Å; Q544-K551 HydrophobicContact CB-CB 4.32Å; Q544-K551 PolarHBondContact N-O 2.82Å; Q544-K551 PolarHBondContact O-N 2.61Å; K551-D625 IonicContact NZ-OD1 2.61Å; K551-D625 PolarHBondContact NZ-OD1 2.79Å; K551-D625 IonicContact NZ-OD2 2.64Å; K551-D625 PolarHBondContact NZ-OD2 2.92Å
552	L	91.5	Very high	87.9	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	114.6	164.3	162.4	62.9	0	0	0	107	L508 L509 W523 I530 W534 I543 Y565	L508-L552 CarbonylContact C-O 3.57Å; L508-L552 WeakPolarHBondContact CA-O 3.42Å; L509-L552 HydrophobicContact CB-CB 4.41Å; L509-L552 HydrophobicContact CD1-CD2 4.38Å; L509-L552 PolarHBondContact N-O 3.35Å; L509-L552 PolarHBondContact O-N 3.49Å; W523-L552 HydrophobicContact CD2-CB 3.97Å; W523-L552 HydrophobicContact CD2-CD2 4.06Å; W523-L552 HydrophobicContact CE3-CB 4.35Å; W523-L552 HydrophobicContact CE3-CD2 3.9Å; W523-L552 HydrophobicContact CG-CB 4.42Å; W523-L552 HydrophobicContact CG-CD2 4.4Å; W523-L552 HydrophobicContact CH2-CB 4.32Å; W523-L552 HydrophobicContact CZ2-CB 3.94Å; W523-L552 HydrophobicContact CZ3-CD2 4.38Å; I530-L552 HydrophobicContact CD1-CD1 3.91Å; I530-L552 HydrophobicContact CD1-CD2 3.88Å; W534-L552 HydrophobicContact CE3-CD1 4.18Å; I543-L552 HydrophobicContact CG1-CD1 3.87Å; L552-Y565 HydrophobicContact CD2-CD1 3.68Å; L552-Y565 HydrophobicContact CD2-CE1 4.14Å
553	Q	91.1	Very high	88.3	Confident	34 Å²	34	49.1 Å²	49.1	16%	0.159	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	135.4	172.4	-173.6	172.2	-6.7	0	0	109	D506 L507 L508 G541 I542	D506-Q553 PolarHBondContact OD2-NE2 2.87Å; L507-Q553 CarbonylContact O-C 3.34Å; L507-Q553 WeakPolarHBondContact O-CA 3.45Å; L508-Q553 HydrophobicContact CD1-CB 4.04Å; G541-Q553 WeakPolarHBondContact CA-O 3.34Å; I542-Q553 PolarHBondContact N-O 2.9Å; I542-Q553 PolarHBondContact O-N 3.5Å
554	L	91.5	Very high	88.6	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	112.7	169.7	172.7	67.2	0	0	0	107.2	L507 W534 R540 V557 D561	L507-L554 HydrophobicContact CB-CB 4.29Å; L507-L554 HydrophobicContact CD2-CB 4.31Å; L507-L554 HydrophobicContact CD2-CD2 4.26Å; L507-L554 PolarHBondContact N-O 3.14Å; L507-L554 PolarHBondContact O-N 3.24Å; W534-L554 HydrophobicContact CE3-CD1 4.39Å; W534-L554 HydrophobicContact CH2-CD2 4.39Å; W534-L554 HydrophobicContact CZ3-CB 4.42Å; W534-L554 HydrophobicContact CZ3-CD1 3.97Å; W534-L554 HydrophobicContact CZ3-CD2 4Å; W534-L554 HydrophobicContact CZ3-CG 4.36Å; R540-L554 HydrophobicContact CB-CD1 3.79Å; R540-L554 WeakPolarHBondContact O-CA 3.05Å; L554-V557 HydrophobicContact CB-CG2 4.49Å; L554-V557 HydrophobicContact CD2-CG1 4.44Å; L554-V557 HydrophobicContact CD2-CG2 4.03Å; L554-V557 HydrophobicContact CG-CG2 4.01Å; L554-V557 WeakPolarHBondContact O-CG2 3.04Å; L554-D561 HydrophobicContact CD2-CB 3.94Å
555	S	90.9	Very high	89.1	Confident	20 Å²	20	49 Å²	49	14%	0.14	25%	0.249	C	C	.	.			trans	-86.2	154.6	178	62.2	0	0	0	0	112.6	D506 R540	D506-S555 WeakPolarHBondContact OD1-CA 3.29Å; D506-S555 VanDerWaalsContact OD1-CB 3.24Å; D506-S555 WeakPolarHBondContact OD1-CB 3.33Å; D506-S555 WeakPolarHBondContact OD2-CB 3.46Å; R540-S555 WeakPolarHBondContact CD-O 3.5Å; R540-S555 PolarHBondContact O-N 3.13Å
556	N	89.6	Confident	89.6	Confident	73 Å²	73	44.8 Å²	44.8	39%	0.39	23%	0.233	S	C	.	.	S	Bend	trans	43	71.3	-178.8	-176.4	15.5	0	0	0	112.1	G504 D506 R540	G504-N556 WeakPolarHBondContact CA-OD1 3.43Å; D506-N556 PolarHBondContact OD1-N 3.23Å; R540-N556 PolarHBondContact NH1-O 3.25Å
557	V	91.5	Very high	90.2	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.206	C	C	.	.			trans	-73.6	131.3	-173.4	178.9	0	0	0	0	110.2	E503 G504 N505 L507 L554 D561 V584	E503-V557 VanDerWaalsContact CA-O 3.3Å; E503-V557 WeakPolarHBondContact CA-O 3.02Å; G504-V557 PolarHBondContact N-O 2.86Å; N505-V557 VanDerWaalsContact O-CB 3.27Å; N505-V557 WeakPolarHBondContact O-CB 3.41Å; N505-V557 WeakPolarHBondContact O-CG2 3.22Å; N505-V557 PolarHBondContact O-N 3.24Å; L507-V557 HydrophobicContact CB-CG2 3.56Å; L554-V557 HydrophobicContact CB-CG2 4.49Å; L554-V557 HydrophobicContact CD2-CG1 4.44Å; L554-V557 HydrophobicContact CD2-CG2 4.03Å; L554-V557 HydrophobicContact CG-CG2 4.01Å; L554-V557 WeakPolarHBondContact O-CG2 3.04Å; V557-D561 HydrophobicContact CG1-CB 3.91Å; V557-V584 HydrophobicContact CG1-CB 4.31Å; V557-V584 HydrophobicContact CG1-CG1 3.91Å; V557-V584 HydrophobicContact CG1-CG2 3.4Å; V557-V584 VanDerWaalsContact CG1-CG2 3.4Å
558	H	90.8	Very high	91	Very high	64 Å²	64	34.6 Å²	34.6	30%	0.296	18%	0.184	S	C	.	.			trans	-106.9	162.6	178.3	-71.9	-53.9	0	0	0	112.5	E503 T560 D561	E503-H558 WeakPolarHBondContact OE1-CA 3.44Å; E503-H558 IonicContact OE1-ND1 2.61Å; H558-T560 WeakPolarHBondContact CB-OG1 3.07Å; H558-T560 PolarHBondContact O-N 2.76Å; H558-T560 VanDerWaalsContact O-N 3.1Å; H558-D561 PolarHBondContact N-OD2 3.09Å; H558-D561 WeakPolarHBondContact O-CA 3.31Å; H558-D561 WeakPolarHBondContact O-CB 3.45Å; H558-D561 VanDerWaalsContact O-CG 3.28Å; H558-D561 PolarHBondContact O-N 2.89Å
559	T	90	Very high	91.4	Very high	58 Å²	58	30.7 Å²	30.7	36%	0.356	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-55.3	-22.9	171.5	45	0	0	0	0	114.3	E503 D561 N562 P586	E503-T559 PolarHBondContact OE1-N 3.47Å; E503-T559 PolarHBondContact OE1-OG1 2.7Å; T559-D561 PolarHBondContact O-N 3.21Å; T559-N562 PolarHBondContact O-ND2 2.94Å; T559-P586 HydrophobicContact CG2-CB 3.91Å
560	T	89.6	Confident	91.4	Very high	105 Å²	105	31.9 Å²	31.9	64%	0.644	17%	0.172	S	C	*	.	G	3₁₀ helix	trans	-66.4	-12.1	169.6	53.9	0	0	0	0	114.4	H558	H558-T560 WeakPolarHBondContact CB-OG1 3.07Å; H558-T560 PolarHBondContact O-N 2.76Å; H558-T560 VanDerWaalsContact O-N 3.1Å
561	D	91.2	Very high	91	Very high	1 Å²	1	33 Å²	33	1%	0.005	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-99.6	4	-168.9	-50.6	-15.6	0	0	0	111.7	R535 R540 L554 V557 H558 T559 A563 Y565 V584	R535-D561 IonicContact CZ-OD1 2.79Å; R535-D561 IonicContact CZ-OD2 3.15Å; R535-D561 IonicContact NH1-OD1 2.76Å; R535-D561 PolarHBondContact NH1-OD1 2.9Å; R535-D561 IonicContact NH1-OD2 2.7Å; R535-D561 PolarHBondContact NH1-OD2 3.45Å; R535-D561 IonicContact NH2-OD1 3.44Å; R535-D561 PolarHBondContact NH2-OD1 3.22Å; R540-D561 IonicContact CZ-OD2 2.76Å; R540-D561 IonicContact NH1-OD2 2.77Å; R540-D561 PolarHBondContact NH1-OD2 3.44Å; R540-D561 IonicContact NH2-OD1 3.56Å; R540-D561 IonicContact NH2-OD2 3.99Å; L554-D561 HydrophobicContact CD2-CB 3.94Å; V557-D561 HydrophobicContact CG1-CB 3.91Å; H558-D561 PolarHBondContact N-OD2 3.09Å; H558-D561 WeakPolarHBondContact O-CA 3.31Å; H558-D561 WeakPolarHBondContact O-CB 3.45Å; H558-D561 VanDerWaalsContact O-CG 3.28Å; H558-D561 PolarHBondContact O-N 2.89Å; T559-D561 PolarHBondContact O-N 3.21Å; D561-A563 PolarHBondContact O-N 3.31Å; D561-A563 VanDerWaalsContact O-N 3.14Å; D561-Y565 WeakPolarHBondContact O-CE2 3.36Å; D561-Y565 PolarHBondContact O-OH 2.97Å; D561-V584 HydrophobicContact CB-CG2 4.42Å
562	N	93.4	Very high	90.2	Very high	68 Å²	68	36.3 Å²	36.3	36%	0.364	20%	0.197	S	C	.	.			trans	-56.9	101.9	166.5	-82.4	-47.1	0	0	0	111	T559 I583 V584	T559-N562 PolarHBondContact O-ND2 2.94Å; N562-I583 VanDerWaalsContact OD1-CA 3.28Å; N562-I583 WeakPolarHBondContact OD1-CA 3.35Å; N562-V584 PolarHBondContact OD1-N 2.77Å
563	A	93.2	Very high	89.5	Confident	10 Å²	10	40.2 Å²	40.2	8%	0.083	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	164.4	-175.4	0	0	0	0	0	112.8	V525 N526 D561 Y565 V582	V525-A563 HydrophobicContact CG1-CB 3.5Å; N526-A563 WeakPolarHBondContact OD1-CA 3.44Å; N526-A563 WeakPolarHBondContact OD1-CB 3.25Å; D561-A563 PolarHBondContact O-N 3.31Å; D561-A563 VanDerWaalsContact O-N 3.14Å; A563-Y565 HydrophobicContact CB-CD2 4.19Å; A563-Y565 HydrophobicContact CB-CE2 3.73Å; A563-Y565 WeakPolarHBondContact O-CD2 3.29Å; A563-V582 PolarHBondContact N-O 3.39Å; A563-V582 PolarHBondContact O-N 3.41Å
564	N	94.1	Very high	89.1	Confident	68 Å²	68	39.5 Å²	39.5	36%	0.364	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	108.8	166.5	-175.1	-18.2	0	0	0	109.6	N526 T566 S579	N526-N564 PolarHBondContact N-O 2.89Å; N526-N564 PolarHBondContact OD1-N 2.8Å; N564-T566 PolarHBondContact OD1-OG1 2.95Å; N564-S579 WeakPolarHBondContact OD1-CB 3.26Å
565	Y	93.4	Very high	89	Confident	1 Å²	1	46.1 Å²	46.1	0%	0.004	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	117.9	179	-69.2	-101.2	0	0	0	109.6	L507 L509 Y524 V525 W534 L552 D561 A563 S579 V580 V582	L507-Y565 HydrophobicContact CD2-CE1 4.43Å; L507-Y565 HydrophobicContact CD2-CE2 4.44Å; L509-Y565 HydrophobicContact CD1-CD1 3.89Å; L509-Y565 HydrophobicContact CD1-CD2 4.32Å; L509-Y565 HydrophobicContact CD1-CG 3.62Å; Y524-Y565 CarbonylContact O-C 3.32Å; Y524-Y565 WeakPolarHBondContact O-CA 3.29Å; V525-Y565 HydrophobicContact CG1-CE1 4.36Å; V525-Y565 HydrophobicContact CG2-CD1 3.68Å; V525-Y565 HydrophobicContact CG2-CE1 3.68Å; W534-Y565 AromaticContact CH2-CE1 3.8Å; W534-Y565 HydrophobicContact CH2-CE1 3.8Å; W534-Y565 AromaticContact CZ3-CE1 3.9Å; W534-Y565 HydrophobicContact CZ3-CE1 3.9Å; L552-Y565 HydrophobicContact CD2-CD1 3.68Å; L552-Y565 HydrophobicContact CD2-CE1 4.14Å; D561-Y565 WeakPolarHBondContact O-CE2 3.36Å; D561-Y565 PolarHBondContact O-OH 2.97Å; A563-Y565 HydrophobicContact CB-CD2 4.19Å; A563-Y565 HydrophobicContact CB-CE2 3.73Å; A563-Y565 WeakPolarHBondContact O-CD2 3.29Å; Y565-S579 CarbonylContact O-C 3.56Å; Y565-S579 WeakPolarHBondContact O-CA 3.29Å; Y565-V580 PolarHBondContact N-O 2.83Å; Y565-V580 PolarHBondContact O-N 3.48Å; Y565-V582 HydrophobicContact CD2-CB 3.82Å; Y565-V582 HydrophobicContact CD2-CG2 3.43Å; Y565-V582 VanDerWaalsContact CD2-CG2 3.43Å; Y565-V582 HydrophobicContact CE2-CB 3.69Å; Y565-V582 HydrophobicContact CE2-CG1 4.41Å; Y565-V582 HydrophobicContact CE2-CG2 3.7Å; Y565-V582 HydrophobicContact CG-CG2 4.28Å
566	T	93.2	Very high	88.9	Confident	22 Å²	22	47.7 Å²	47.7	14%	0.135	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	122.5	-176.6	-63.1	0	0	0	0	111.2	W523 Y524 N564 R577 K578 S579	W523-T566 CarbonylContact C-O 3.58Å; W523-T566 WeakPolarHBondContact CA-O 3.44Å; Y524-T566 PolarHBondContact N-O 3.02Å; Y524-T566 PolarHBondContact O-N 3.05Å; N564-T566 PolarHBondContact OD1-OG1 2.95Å; T566-R577 HydrophobicContact CG2-CB 4.15Å; T566-K578 WeakPolarHBondContact CA-O 2.98Å; T566-S579 WeakPolarHBondContact OG1-CB 3.42Å; T566-S579 PolarHBondContact OG1-OG 2.84Å
567	C	92.7	Very high	89	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	123.9	165	-178.5	0	0	0	0	108.9	M490 C511 W523 R577 K578	M490-C567 HydrophobicContact CE-CB 4.42Å; C511-C567 HydrophobicContact CB-CB 3.69Å; C511-C567 WeakPolarHBondContact CB-SG 3.4Å; C511-C567 WeakPolarHBondContact SG-CB 3.38Å; C511-C567 CovalentContact SG-SG 2.03Å; C511-C567 PolarHBondContact SG-SG 2.87Å; W523-C567 HydrophobicContact CD2-CB 4.37Å; W523-C567 HydrophobicContact CE3-CB 4Å; W523-C567 HydrophobicContact CH2-CB 4.07Å; W523-C567 HydrophobicContact CZ2-CB 4.42Å; W523-C567 HydrophobicContact CZ3-CB 3.84Å; C567-R577 VanDerWaalsContact O-CA 3.22Å; C567-R577 WeakPolarHBondContact O-CA 3.42Å; C567-K578 PolarHBondContact N-O 3.45Å; C567-K578 PolarHBondContact O-N 2.93Å
568	L	91.8	Very high	89	Confident	25 Å²	25	55.3 Å²	55.3	13%	0.131	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	136.7	168.8	179	65.5	0	0	0	108.6	I521 S522 Y524 H575 R577	I521-L568 WeakPolarHBondContact CA-O 3.44Å; S522-L568 PolarHBondContact N-O 3.43Å; S522-L568 PolarHBondContact O-N 3.15Å; Y524-L568 HydrophobicContact CD2-CB 4.1Å; Y524-L568 HydrophobicContact CE2-CB 3.76Å; Y524-L568 HydrophobicContact CE2-CD2 3.68Å; Y524-L568 HydrophobicContact CE2-CG 4.37Å; L568-H575 HydrophobicContact CD1-CB 4.23Å; L568-R577 HydrophobicContact CD1-CB 4.04Å
569	A	90.8	Very high	89	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	127.7	170.9	0	0	0	0	0	110.7	M490 V513 P519 L520 I521 H575 I576	M490-A569 HydrophobicContact CE-CB 3.9Å; V513-A569 HydrophobicContact CB-CB 4.26Å; V513-A569 HydrophobicContact CG1-CB 3.82Å; V513-A569 HydrophobicContact CG2-CB 3.81Å; P519-A569 HydrophobicContact CB-CB 4.26Å; L520-A569 CarbonylContact O-C 3.59Å; L520-A569 VanDerWaalsContact O-CA 3.27Å; L520-A569 WeakPolarHBondContact O-CA 3.35Å; I521-A569 HydrophobicContact CG1-CB 4.18Å; A569-H575 CarbonylContact O-C 3.54Å; A569-H575 WeakPolarHBondContact O-CA 3.41Å; A569-I576 HydrophobicContact CB-CG2 4.24Å; A569-I576 PolarHBondContact N-O 3.3Å; A569-I576 PolarHBondContact O-N 2.87Å
570	E	87.4	Confident	89.2	Confident	83 Å²	83	51.5 Å²	51.5	39%	0.388	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	145.3	-171.1	61.7	178.7	-174	0	0	112.8	P519 L520 H575	P519-E570 CarbonylContact C-O 3.47Å; P519-E570 VanDerWaalsContact CA-O 3.26Å; P519-E570 WeakPolarHBondContact CA-O 3.37Å; L520-E570 HydrophobicContact CB-CG 4.1Å; L520-E570 PolarHBondContact N-O 2.86Å; L520-E570 PolarHBondContact O-N 3.09Å; E570-H575 HydrophobicContact CB-CB 4Å
571	N	81.6	Confident	89.4	Confident	25 Å²	25	51.4 Å²	51.4	13%	0.134	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	-176.8	168	73.7	5.7	0	0	0	109.1	L488 P517 N573 G574	L488-N571 HydrophobicContact CD2-CB 4.4Å; P517-N571 PolarHBondContact O-ND2 2.86Å; N571-N573 PolarHBondContact O-N 2.77Å; N571-N573 WeakPolarHBondContact OD1-CA 3.4Å; N571-N573 VanDerWaalsContact OD1-CB 3.31Å; N571-N573 WeakPolarHBondContact OD1-CB 3.18Å; N571-N573 PolarHBondContact OD1-N 3.37Å; N571-G574 PolarHBondContact N-O 3.07Å; N571-G574 CarbonylContact O-C 3.58Å; N571-G574 PolarHBondContact O-N 2.61Å; N571-G574 PolarHBondContact OD1-N 3.02Å
572	L	74.5	Confident	89.6	Confident	105 Å²	105	51.4 Å²	51.4	55%	0.55	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-1	-178.2	-74.7	161.3	0	0	0	114.8	L376	L376-L572 HydrophobicContact CD1-CD1 3.46Å; L376-L572 VanDerWaalsContact CD1-CD1 3.46Å; L376-L572 HydrophobicContact CD2-CB 3.95Å; L376-L572 HydrophobicContact CD2-CD1 3.57Å; L376-L572 HydrophobicContact CD2-CG 4.41Å; L376-L572 HydrophobicContact CG-CD1 4.15Å
573	N	77.7	Confident	89.6	Confident	82 Å²	82	50.9 Å²	50.9	44%	0.439	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-12.4	167.3	-58.7	-18.7	0	0	0	112.2	D486 R516 N571	D486-N573 PolarHBondContact O-ND2 2.94Å; R516-N573 PolarHBondContact O-ND2 3.16Å; N571-N573 PolarHBondContact O-N 2.77Å; N571-N573 WeakPolarHBondContact OD1-CA 3.4Å; N571-N573 VanDerWaalsContact OD1-CB 3.31Å; N571-N573 WeakPolarHBondContact OD1-CB 3.18Å; N571-N573 PolarHBondContact OD1-N 3.37Å
574	G	82.3	Confident	89.6	Confident	19 Å²	19	50.7 Å²	50.7	20%	0.196	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	149.9	-155.7	176.4	0	0	0	0	0	114.1	L488 N571	L488-G574 VanDerWaalsContact CD1-C 3.44Å; L488-G574 WeakPolarHBondContact CD1-O 3.41Å; N571-G574 PolarHBondContact N-O 3.07Å; N571-G574 CarbonylContact O-C 3.58Å; N571-G574 PolarHBondContact O-N 2.61Å; N571-G574 PolarHBondContact OD1-N 3.02Å
575	H	89.2	Confident	89.5	Confident	139 Å²	139	52.6 Å²	52.6	64%	0.644	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.9	152.5	172.4	57.1	-97.9	0	0	0	110.7	L568 A569 E570	L568-H575 HydrophobicContact CD1-CB 4.23Å; A569-H575 CarbonylContact O-C 3.54Å; A569-H575 WeakPolarHBondContact O-CA 3.41Å; E570-H575 HydrophobicContact CB-CB 4Å
576	I	89.7	Confident	89.3	Confident	53 Å²	53	56.4 Å²	56.4	27%	0.272	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	141.1	172.8	-174.6	160.8	0	0	0	109	L488 M490 V513 A569	L488-I576 HydrophobicContact CB-CB 4.47Å; L488-I576 HydrophobicContact CB-CG2 3.88Å; L488-I576 HydrophobicContact CD1-CG2 4.29Å; M490-I576 HydrophobicContact CB-CD1 3.72Å; M490-I576 HydrophobicContact CB-CG1 3.97Å; M490-I576 HydrophobicContact CB-CG2 4.08Å; M490-I576 HydrophobicContact CE-CG2 4.17Å; V513-I576 HydrophobicContact CG1-CG2 4.36Å; A569-I576 HydrophobicContact CB-CG2 4.24Å; A569-I576 PolarHBondContact N-O 3.3Å; A569-I576 PolarHBondContact O-N 2.87Å
577	R	91.6	Very high	88.5	Confident	188 Å²	188	58.4 Å²	58.4	71%	0.709	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.2	143.6	-180	69.6	-175.7	-171.3	179.6	5.7	110.7	T566 C567 L568	T566-R577 HydrophobicContact CG2-CB 4.15Å; C567-R577 VanDerWaalsContact O-CA 3.22Å; C567-R577 WeakPolarHBondContact O-CA 3.42Å; L568-R577 HydrophobicContact CD1-CB 4.04Å
578	K	90.4	Very high	87.2	Confident	46 Å²	46	65 Å²	65	20%	0.2	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	143.3	163.5	-177.4	166	165.8	152.1	0	110	M490 S492 L493 D497 T566 C567	M490-K578 HydrophobicContact SD-CB 3.52Å; M490-K578 VanDerWaalsContact SD-CB 3.52Å; S492-K578 PolarHBondContact OG-NZ 2.82Å; L493-K578 HydrophobicContact CB-CD 4.49Å; L493-K578 HydrophobicContact CD1-CB 4.14Å; L493-K578 HydrophobicContact CD1-CD 4.14Å; L493-K578 HydrophobicContact CD1-CG 3.77Å; L493-K578 HydrophobicContact CG-CB 4.34Å; L493-K578 HydrophobicContact CG-CD 3.96Å; L493-K578 HydrophobicContact CG-CG 4.07Å; D497-K578 WeakPolarHBondContact OD1-CE 3.33Å; D497-K578 IonicContact OD1-NZ 3.72Å; D497-K578 PolarHBondContact OD1-NZ 3.06Å; T566-K578 WeakPolarHBondContact CA-O 2.98Å; C567-K578 PolarHBondContact N-O 3.45Å; C567-K578 PolarHBondContact O-N 2.93Å
579	S	92.1	Very high	85.5	Confident	42 Å²	42	70 Å²	70	29%	0.294	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	150.3	-174	-61.3	0	0	0	0	110.4	N564 Y565 T566	N564-S579 WeakPolarHBondContact OD1-CB 3.26Å; Y565-S579 CarbonylContact O-C 3.56Å; Y565-S579 WeakPolarHBondContact O-CA 3.29Å; T566-S579 WeakPolarHBondContact OG1-CB 3.42Å; T566-S579 PolarHBondContact OG1-OG 2.84Å
580	V	92.9	Very high	83.7	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	128.1	169.3	173.4	0	0	0	0	108.2	L493 D497 L499 L509 Y565 V582	L493-V580 HydrophobicContact CB-CG2 4.48Å; L493-V580 HydrophobicContact CD1-CG2 3.53Å; D497-V580 WeakPolarHBondContact O-CA 3.45Å; L499-V580 HydrophobicContact CB-CG1 3.73Å; L509-V580 HydrophobicContact CD2-CG1 4.38Å; Y565-V580 PolarHBondContact N-O 2.83Å; Y565-V580 PolarHBondContact O-N 3.48Å; V580-V582 HydrophobicContact CG1-CG2 4.32Å
581	Q	94.2	Very high	82	Confident	102 Å²	102	75.8 Å²	75.8	48%	0.477	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	113.9	169.1	-178	178.4	4.5	0	0	108.9	D497 V498 L499 I583	D497-Q581 PolarHBondContact O-N 2.76Å; V498-Q581 CarbonylContact C-O 3.58Å; V498-Q581 WeakPolarHBondContact CA-O 3.26Å; V498-Q581 HydrophobicContact CG2-CB 4.32Å; L499-Q581 PolarHBondContact N-O 2.92Å; Q581-I583 HydrophobicContact CG-CG1 4.14Å
582	V	94.4	Very high	80.4	Confident	2 Å²	2	80.4 Å²	80.4	1%	0.012	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	128.7	173.4	176.2	0	0	0	0	108.9	L499 V501 L507 L509 A563 Y565 V580 V584	L499-V582 WeakPolarHBondContact O-CA 3.21Å; V501-V582 HydrophobicContact CG2-CG1 4.34Å; L507-V582 HydrophobicContact CD1-CG1 4.42Å; L507-V582 HydrophobicContact CD1-CG2 4.08Å; L507-V582 HydrophobicContact CD2-CG1 4.19Å; L507-V582 HydrophobicContact CD2-CG2 4.06Å; L509-V582 HydrophobicContact CD1-CG2 4.34Å; A563-V582 PolarHBondContact N-O 3.39Å; A563-V582 PolarHBondContact O-N 3.41Å; Y565-V582 HydrophobicContact CD2-CB 3.82Å; Y565-V582 HydrophobicContact CD2-CG2 3.43Å; Y565-V582 VanDerWaalsContact CD2-CG2 3.43Å; Y565-V582 HydrophobicContact CE2-CB 3.69Å; Y565-V582 HydrophobicContact CE2-CG1 4.41Å; Y565-V582 HydrophobicContact CE2-CG2 3.7Å; Y565-V582 HydrophobicContact CG-CG2 4.28Å; V580-V582 HydrophobicContact CG1-CG2 4.32Å; V582-V584 HydrophobicContact CG1-CG2 4.17Å
583	I	94.3	Very high	79	Confident	57 Å²	57	84 Å²	84	29%	0.292	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	111.7	176.9	-56.3	-179	0	0	0	108.7	V498 L499 K500 V501 N562 Q581	V498-I583 HydrophobicContact CG1-CD1 3.51Å; V498-I583 HydrophobicContact CG1-CG1 4.02Å; L499-I583 PolarHBondContact O-N 3.05Å; K500-I583 CarbonylContact C-O 3.59Å; K500-I583 WeakPolarHBondContact CA-O 3.45Å; K500-I583 HydrophobicContact CG-CB 4.27Å; V501-I583 PolarHBondContact N-O 3.36Å; N562-I583 VanDerWaalsContact OD1-CA 3.28Å; N562-I583 WeakPolarHBondContact OD1-CA 3.35Å; Q581-I583 HydrophobicContact CG-CG1 4.14Å
584	V	94.3	Very high	77.2	Confident	5 Å²	5	85.7 Å²	85.7	3%	0.03	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	115.5	178.6	-168.3	0	0	0	0	108.4	V501 E503 V557 D561 N562 V582	V501-V584 CarbonylContact O-C 3.52Å; V501-V584 WeakPolarHBondContact O-CA 3.41Å; E503-V584 HydrophobicContact CB-CG1 4.06Å; V557-V584 HydrophobicContact CG1-CB 4.31Å; V557-V584 HydrophobicContact CG1-CG1 3.91Å; V557-V584 HydrophobicContact CG1-CG2 3.4Å; V557-V584 VanDerWaalsContact CG1-CG2 3.4Å; D561-V584 HydrophobicContact CB-CG2 4.42Å; N562-V584 PolarHBondContact OD1-N 2.77Å; V582-V584 HydrophobicContact CG1-CG2 4.17Å
585	K	92	Very high	75.3	Confident	108 Å²	108	90.6 Å²	90.6	47%	0.47	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	131.2	172	-57.1	180	-168.5	166.2	0	108.8	V501 E503	V501-K585 PolarHBondContact O-N 3.02Å; E503-K585 VanDerWaalsContact CB-O 3.3Å; E503-K585 WeakPolarHBondContact CB-O 3.26Å; E503-K585 PolarHBondContact N-O 3.21Å
586	P	87.5	Confident	73.2	Confident	82 Å²	82	90.8 Å²	90.8	53%	0.532	52%	0.52	S	S	.	.			trans	-59.8	151.7	173.4	26.7	-34.5	0	0	0	110.8	E503 T559 T588	E503-P586 WeakPolarHBondContact OE2-CA 3.33Å; T559-P586 HydrophobicContact CG2-CB 3.91Å; P586-T588 PolarHBondContact O-N 2.73Å; P586-T588 VanDerWaalsContact O-N 3.13Å
587	A	77	Confident	71.1	Confident	64 Å²	64	93.8 Å²	93.8	53%	0.529	54%	0.543	S	S	.	.			trans	-65.9	112.1	170.9	0	0	0	0	0	109.3	E503 T589	E503-A587 PolarHBondContact OE2-N 3.37Å; A587-T589 PolarHBondContact O-N 2.87Å
588	T	65.4	Low	69.2	Low	137 Å²	137	90.1 Å²	90.1	84%	0.84	54%	0.544	S	S	*	.			trans	-71.8	91.4	178.5	48.2	0	0	0	0	110.3	P586 S590	P586-T588 PolarHBondContact O-N 2.73Å; P586-T588 VanDerWaalsContact O-N 3.13Å; T588-S590 PolarHBondContact O-N 2.88Å
589	T	56.3	Low	67	Low	132 Å²	132	93.9 Å²	93.9	81%	0.81	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-54.1	127	164.3	-40.4	0	0	0	0	108.7	A587	A587-T589 PolarHBondContact O-N 2.87Å
590	S	53.9	Low	64.1	Low	93 Å²	93	97.7 Å²	97.7	65%	0.65	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-59.3	151.4	171.4	50.6	0	0	0	0	110.5	T588	T588-S590 PolarHBondContact O-N 2.88Å
591	P	51	Low	61.6	Low	111 Å²	111	104.5 Å²	104.5	72%	0.721	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-52.6	141.6	175.2	-25.1	34.4	0	0	0	111.5	L593	P591-L593 PolarHBondContact O-N 3.04Å; P591-L593 VanDerWaalsContact O-N 3.11Å
592	P	47.7	Very low	58.8	Low	122 Å²	122	104.8 Å²	104.8	79%	0.792	65%	0.645	S	S	*	*			trans	-68.2	112.3	-177.9	27.2	-33.7	0	0	0	110.3	T594	P592-T594 PolarHBondContact O-N 2.03Å
593	L	45.5	Very low	56.2	Low	179 Å²	179	114 Å²	114	94%	0.937	69%	0.688	S	S	*	*			trans	-70.2	115.5	170	-80.2	166.8	0	0	0	109.3	P591	P591-L593 PolarHBondContact O-N 3.04Å; P591-L593 VanDerWaalsContact O-N 3.11Å
594	T	40.4	Very low	53.3	Low	119 Å²	119	118.8 Å²	118.8	73%	0.73	71%	0.711	S	S	*	*			trans	-75.7	135.6	-174.5	31.3	0	0	0	0	113.6	P592	P592-T594 PolarHBondContact O-N 2.03Å
595	T	40.9	Very low	50.3	Low	121 Å²	121	124.1 Å²	124.1	74%	0.742	74%	0.744	S	S	*	*			trans	58.2	95.2	147.3	56.8	0	0	0	0	119.4
596	T	45.4	Very low	47.7	Very low	143 Å²	143	126 Å²	126	88%	0.877	77%	0.765	S	S	*	*				-170	140.5	116.4	15.9	0	0	0	0	112
597	P	45.2	Very low	45.4	Very low	116 Å²	116	127.7 Å²	127.7	75%	0.753	77%	0.773	S	S	*	*			trans	-117.1	-172.7	175.2	43.9	-34.4	0	0	0	112.3
598	P	51.6	Low	44	Very low	112 Å²	112	130.5 Å²	130.5	73%	0.727	79%	0.789	S	S	*	*				-118	-165.3	-74.4	39	-22	0	0	0	110.4
599	P	44.3	Very low	43.7	Very low	124 Å²	124	128.5 Å²	128.5	81%	0.805	78%	0.776	S	S	*	*				-146.7	176.1	83.7	38.6	-20	0	0	0	115.7
600	T	32.5	Very low	44.2	Very low	123 Å²	123	126.8 Å²	126.8	76%	0.755	76%	0.759	S	S	*	*			trans	-73	134.6	-174.5	-52	0	0	0	0	115
601	T	40.6	Very low	44.9	Very low	142 Å²	142	127.8 Å²	127.8	87%	0.871	76%	0.763	S	S	*	*			trans	-135.1	139	147.7	-49.5	0	0	0	0	109.5
602	T	34	Very low	45.9	Very low	108 Å²	108	122.9 Å²	122.9	66%	0.663	73%	0.732	S	S	*	*			trans	-91.7	130.2	-174.2	-50.6	0	0	0	0	112
603	E	40.1	Very low	46.9	Very low	197 Å²	197	123.3 Å²	123.3	92%	0.921	72%	0.723	S	S	*	*			trans	-154.5	154	151.3	-125.9	167	-140.2	0	0	111.3
604	M	33	Very low	48.3	Very low	157 Å²	157	120.5 Å²	120.5	77%	0.773	71%	0.709	S	S	*	*			trans	-115.9	169.7	-167.9	-60.6	-170	-173.7	0	0	113.3
605	T	31.9	Very low	50.4	Low	117 Å²	117	118.2 Å²	118.2	72%	0.718	69%	0.687	S	S	*	*			trans	60.1	103.7	157	51.3	0	0	0	0	118.9
606	T	38	Very low	52.5	Low	148 Å²	148	113.4 Å²	113.4	91%	0.908	66%	0.658	S	S	*	*				-136.8	89.1	128.1	31.6	0	0	0	0	109.5	S608	T606-S608 PolarHBondContact O-N 3.12Å
607	T	39.8	Very low	54.3	Low	117 Å²	117	112.2 Å²	112.2	72%	0.718	64%	0.642	S	S	*	*			trans	-70.9	117.4	172.1	43	0	0	0	0	110	V609	T607-V609 PolarHBondContact O-N 3.01Å
608	S	47.5	Very low	56.1	Low	123 Å²	123	113.3 Å²	113.3	86%	0.86	63%	0.632	S	S	*	*			trans	-70.7	88.2	177	43.1	0	0	0	0	111.3	T606 H610	T606-S608 PolarHBondContact O-N 3.12Å; S608-H610 PolarHBondContact O-N 3.45Å; S608-H610 VanDerWaalsContact O-N 3.15Å
609	V	58.7	Low	57.5	Low	94 Å²	94	108.9 Å²	108.9	57%	0.57	61%	0.606	S	S	*	*			trans	-60	116.5	178.4	-179.5	0	0	0	0	110	T607 H613	T607-V609 PolarHBondContact O-N 3.01Å; V609-H613 HydrophobicContact CG1-CB 3.55Å
610	H	66.9	Low	59.5	Low	96 Å²	96	108.5 Å²	108.5	44%	0.444	59%	0.593	S	S	.	*			trans	-60.7	137.9	-179.1	-171.8	-101	0	0	0	110.9	S608 C612 H613 C621	S608-H610 PolarHBondContact O-N 3.45Å; S608-H610 VanDerWaalsContact O-N 3.15Å; H610-C612 PolarHBondContact CE1-SG 3.11Å; H610-C612 PolarHBondContact ND1-SG 3.28Å; H610-C612 PolarHBondContact O-N 2.78Å; H610-H613 WeakPolarHBondContact O-CB 3.45Å; H610-H613 PolarHBondContact O-N 3.34Å; H610-C621 PolarHBondContact CE1-O 3.22Å
611	P	68.9	Low	62	Low	114 Å²	114	103.9 Å²	103.9	74%	0.74	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	8.4	-165.8	-15.8	29.8	0	0	0	116.1	I623	P611-I623 HydrophobicContact CB-CD1 3.7Å; P611-I623 HydrophobicContact CG-CD1 4.1Å
612	C	71.4	Confident	64	Low	9 Å²	9	99.2 Å²	99.2	6%	0.061	53%	0.533	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.3	25.4	169.4	67.5	0	0	0	0	113.6	H610 Y615 C621 I623 P628	H610-C612 PolarHBondContact CE1-SG 3.11Å; H610-C612 PolarHBondContact ND1-SG 3.28Å; H610-C612 PolarHBondContact O-N 2.78Å; C612-Y615 VanDerWaalsContact O-CB 3.26Å; C612-Y615 WeakPolarHBondContact O-CB 3.24Å; C612-Y615 PolarHBondContact O-N 3.36Å; C612-C621 HydrophobicContact CB-CB 4.42Å; C612-C621 WeakPolarHBondContact CB-SG 3.36Å; C612-C621 PolarHBondContact O-SG 3.45Å; C612-C621 WeakPolarHBondContact SG-CB 3.41Å; C612-C621 CovalentContact SG-SG 2.03Å; C612-C621 PolarHBondContact SG-SG 3.14Å; C612-I623 HydrophobicContact CB-CD1 4.25Å; C612-I623 HydrophobicContact CB-CG1 4.07Å; C612-P628 HydrophobicContact CB-CB 3.54Å
613	H	68.4	Low	66.3	Low	131 Å²	131	97.4 Å²	97.4	61%	0.606	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.5	140.8	166.2	-174.1	55.8	0	0	0	110.9	V609 H610 Y615	V609-H613 HydrophobicContact CG1-CB 3.55Å; H610-H613 WeakPolarHBondContact O-CB 3.45Å; H610-H613 PolarHBondContact O-N 3.34Å; H613-Y615 PolarHBondContact O-N 3.01Å
614	N	74.8	Confident	67.8	Low	120 Å²	120	88.8 Å²	88.8	64%	0.642	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	-0.4	-170.3	-56.7	-28.2	0	0	0	117.5	R640	N614-R640 PolarHBondContact O-NH2 3.46Å
615	Y	84.9	Confident	69.6	Low	70 Å²	70	87.6 Å²	87.6	28%	0.275	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-42.2	171.3	-174.4	-105.9	0	0	0	112.2	C612 H613 P628 C630 R640	C612-Y615 VanDerWaalsContact O-CB 3.26Å; C612-Y615 WeakPolarHBondContact O-CB 3.24Å; C612-Y615 PolarHBondContact O-N 3.36Å; H613-Y615 PolarHBondContact O-N 3.01Å; Y615-P628 HydrophobicContact CD1-CB 3.6Å; Y615-P628 HydrophobicContact CD1-CG 3.93Å; Y615-P628 HydrophobicContact CD2-CB 4.14Å; Y615-P628 HydrophobicContact CD2-CG 3.65Å; Y615-P628 HydrophobicContact CE1-CB 4.05Å; Y615-P628 HydrophobicContact CE1-CG 4.07Å; Y615-P628 WeakPolarHBondContact CE1-O 3.48Å; Y615-P628 HydrophobicContact CE2-CG 3.8Å; Y615-P628 HydrophobicContact CG-CB 3.66Å; Y615-P628 HydrophobicContact CG-CG 3.72Å; Y615-C630 WeakPolarHBondContact CD1-SG 3.47Å; Y615-R640 HydrophobicContact CE2-CG 4.49Å; Y615-R640 PolarHBondContact O-NE 2.81Å; Y615-R640 PolarHBondContact O-NH2 2.64Å
616	C	85.4	Confident	71.7	Confident	20 Å²	20	85.4 Å²	85.4	14%	0.135	48%	0.476	C	S	.	.			trans	-99.3	139.2	178.7	-51.8	0	0	0	0	111.7	G619 C621 C630	C616-G619 WeakPolarHBondContact CB-O 3.49Å; C616-C621 HydrophobicContact CB-CB 4.34Å; C616-C621 WeakPolarHBondContact SG-CB 3.49Å; C616-C630 WeakPolarHBondContact CA-SG 3.46Å; C616-C630 HydrophobicContact CB-CB 3.91Å; C616-C630 WeakPolarHBondContact CB-SG 3.44Å; C616-C630 WeakPolarHBondContact SG-CA 3.34Å; C616-C630 WeakPolarHBondContact SG-CB 3.19Å; C616-C630 CovalentContact SG-SG 2.03Å; C616-C630 PolarHBondContact SG-SG 2.83Å
617	H	83	Confident	73.5	Confident	118 Å²	118	84.7 Å²	84.7	55%	0.546	46%	0.46	S	S	.	.	S	Bend	trans	-83.4	-60.8	175.3	-71.4	-81.7	0	0	0	111.8	R640	H617-R640 PolarHBondContact N-O 2.9Å
618	R	81.3	Confident	75.5	Confident	140 Å²	140	81.2 Å²	81.2	53%	0.528	44%	0.44	S	S	.	.	S	Bend	trans	-132	60.8	-177	-65.2	-178.1	-179	171.2	5.8	111.4	I633 Y636 C641	R618-I633 PolarHBondContact O-N 2.83Å; R618-Y636 HydrophobicContact CB-CD1 3.89Å; R618-Y636 HydrophobicContact CB-CD2 4.02Å; R618-Y636 HydrophobicContact CB-CE1 4.14Å; R618-Y636 HydrophobicContact CB-CE2 4.26Å; R618-Y636 HydrophobicContact CB-CG 3.84Å; R618-Y636 HydrophobicContact CG-CD1 4.47Å; R618-Y636 HydrophobicContact CG-CE1 4.28Å; R618-Y636 PolarHBondContact NH1-OH 2.82Å; R618-C641 PolarHBondContact N-O 3.39Å; R618-C641 WeakPolarHBondContact O-CB 3.13Å
619	G	82.1	Confident	77.2	Confident	19 Å²	19	80.3 Å²	80.3	20%	0.196	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.4	160.4	-178.1	0	0	0	0	0	112.5	C616 S631	C616-G619 WeakPolarHBondContact CB-O 3.49Å; G619-S631 CarbonylContact C-O 3.56Å; G619-S631 WeakPolarHBondContact CA-O 3.47Å
620	H	86.9	Confident	78.6	Confident	115 Å²	115	77.3 Å²	77.3	53%	0.532	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	139	175.2	-60.6	-82.2	0	0	0	110.3	Y622 C630 S631	H620-Y622 HydrophobicContact CB-CE2 3.63Å; H620-Y622 WeakPolarHBondContact CB-OH 3.28Å; H620-Y622 WeakPolarHBondContact O-CD2 3.49Å; H620-Y622 WeakPolarHBondContact O-CE2 3.31Å; H620-C630 WeakPolarHBondContact O-CA 3.45Å; H620-S631 PolarHBondContact N-O 2.81Å; H620-S631 PolarHBondContact O-N 2.88Å
621	C	85	Confident	79.6	Confident	27 Å²	27	73.9 Å²	73.9	18%	0.182	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	135.2	-178.2	-165	0	0	0	0	111.9	H610 C612 C616 Y629	H610-C621 PolarHBondContact CE1-O 3.22Å; C612-C621 HydrophobicContact CB-CB 4.42Å; C612-C621 WeakPolarHBondContact CB-SG 3.36Å; C612-C621 PolarHBondContact O-SG 3.45Å; C612-C621 WeakPolarHBondContact SG-CB 3.41Å; C612-C621 CovalentContact SG-SG 2.03Å; C612-C621 PolarHBondContact SG-SG 3.14Å; C616-C621 HydrophobicContact CB-CB 4.34Å; C616-C621 WeakPolarHBondContact SG-CB 3.49Å; C621-Y629 WeakPolarHBondContact CA-O 3.44Å
622	Y	82	Confident	80.5	Confident	43 Å²	43	70.5 Å²	70.5	17%	0.169	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	157.3	-178.9	-52.7	-97.1	0	0	0	109.6	I542 H620 P628 Y629	I542-Y622 HydrophobicContact CD1-CE2 4.43Å; H620-Y622 HydrophobicContact CB-CE2 3.63Å; H620-Y622 WeakPolarHBondContact CB-OH 3.28Å; H620-Y622 WeakPolarHBondContact O-CD2 3.49Å; H620-Y622 WeakPolarHBondContact O-CE2 3.31Å; Y622-P628 CarbonylContact O-C 3.59Å; Y622-P628 WeakPolarHBondContact O-CA 3.49Å; Y622-Y629 PolarHBondContact N-O 2.72Å; Y622-Y629 PolarHBondContact O-N 2.9Å
623	I	82.8	Confident	81	Confident	71 Å²	71	74.1 Å²	74.1	36%	0.364	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	124.7	174.8	-60.4	173.3	0	0	0	108.7	P611 C612 K627	P611-I623 HydrophobicContact CB-CD1 3.7Å; P611-I623 HydrophobicContact CG-CD1 4.1Å; C612-I623 HydrophobicContact CB-CD1 4.25Å; C612-I623 HydrophobicContact CB-CG1 4.07Å; I623-K627 CarbonylContact C-O 3.4Å; I623-K627 WeakPolarHBondContact CA-O 3.4Å
624	I	72	Confident	81.2	Confident	16 Å²	16	72.5 Å²	72.5	8%	0.082	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	129.2	-177.3	-52.2	178.2	0	0	0	108.1	Q544 G626 K627 Y629	Q544-I624 VanDerWaalsContact NE2-CD1 3.32Å; I624-G626 PolarHBondContact O-N 2.92Å; I624-G626 VanDerWaalsContact O-N 3.09Å; I624-K627 PolarHBondContact N-O 2.84Å; I624-K627 PolarHBondContact O-N 2.85Å; I624-Y629 HydrophobicContact CB-CD2 3.8Å; I624-Y629 HydrophobicContact CB-CE2 3.83Å; I624-Y629 HydrophobicContact CD1-CD2 4.16Å; I624-Y629 HydrophobicContact CD1-CG 4.46Å; I624-Y629 HydrophobicContact CG1-CD2 4.03Å
625	D	70.9	Confident	81.3	Confident	131 Å²	131	71.5 Å²	71.5	70%	0.701	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	37.2	-177.8	-55.5	-27.9	0	0	0	112.5	K551	K551-D625 IonicContact NZ-OD1 2.61Å; K551-D625 PolarHBondContact NZ-OD1 2.79Å; K551-D625 IonicContact NZ-OD2 2.64Å; K551-D625 PolarHBondContact NZ-OD2 2.92Å
626	G	74.7	Confident	81.1	Confident	71 Å²	71	70.3 Å²	70.3	73%	0.732	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	6.1	-179.3	0	0	0	0	0	116.3	I624	I624-G626 PolarHBondContact O-N 2.92Å; I624-G626 VanDerWaalsContact O-N 3.09Å
627	K	76.1	Confident	80.7	Confident	133 Å²	133	76.1 Å²	76.1	58%	0.578	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	145.8	-176.4	-64.3	179.2	-177.8	179.6	0	112.1	I623 I624 Y629	I623-K627 CarbonylContact C-O 3.4Å; I623-K627 WeakPolarHBondContact CA-O 3.4Å; I624-K627 PolarHBondContact N-O 2.84Å; I624-K627 PolarHBondContact O-N 2.85Å; K627-Y629 HydrophobicContact CB-CE2 3.96Å; K627-Y629 VanDerWaalsContact O-CD2 3.28Å; K627-Y629 WeakPolarHBondContact O-CD2 3.3Å
628	P	81.2	Confident	80.5	Confident	44 Å²	44	72.1 Å²	72.1	29%	0.286	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	146.5	178.8	35.5	-37.5	0	0	0	112.1	C612 Y615 Y622	C612-P628 HydrophobicContact CB-CB 3.54Å; Y615-P628 HydrophobicContact CD1-CB 3.6Å; Y615-P628 HydrophobicContact CD1-CG 3.93Å; Y615-P628 HydrophobicContact CD2-CB 4.14Å; Y615-P628 HydrophobicContact CD2-CG 3.65Å; Y615-P628 HydrophobicContact CE1-CB 4.05Å; Y615-P628 HydrophobicContact CE1-CG 4.07Å; Y615-P628 WeakPolarHBondContact CE1-O 3.48Å; Y615-P628 HydrophobicContact CE2-CG 3.8Å; Y615-P628 HydrophobicContact CG-CB 3.66Å; Y615-P628 HydrophobicContact CG-CG 3.72Å; Y622-P628 CarbonylContact O-C 3.59Å; Y622-P628 WeakPolarHBondContact O-CA 3.49Å
629	Y	84.7	Confident	80.6	Confident	105 Å²	105	71 Å²	71	41%	0.412	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	150.5	179.9	-72.7	-88.8	0	0	0	110.5	C621 Y622 I624 K627	C621-Y629 WeakPolarHBondContact CA-O 3.44Å; Y622-Y629 PolarHBondContact N-O 2.72Å; Y622-Y629 PolarHBondContact O-N 2.9Å; I624-Y629 HydrophobicContact CB-CD2 3.8Å; I624-Y629 HydrophobicContact CB-CE2 3.83Å; I624-Y629 HydrophobicContact CD1-CD2 4.16Å; I624-Y629 HydrophobicContact CD1-CG 4.46Å; I624-Y629 HydrophobicContact CG1-CD2 4.03Å; K627-Y629 HydrophobicContact CB-CE2 3.96Å; K627-Y629 VanDerWaalsContact O-CD2 3.28Å; K627-Y629 WeakPolarHBondContact O-CD2 3.3Å
630	C	87	Confident	80.9	Confident	31 Å²	31	74.6 Å²	74.6	21%	0.209	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	136.3	-179.7	-57.3	0	0	0	0	112.6	Y615 C616 H620 C641	Y615-C630 WeakPolarHBondContact CD1-SG 3.47Å; C616-C630 WeakPolarHBondContact CA-SG 3.46Å; C616-C630 HydrophobicContact CB-CB 3.91Å; C616-C630 WeakPolarHBondContact CB-SG 3.44Å; C616-C630 WeakPolarHBondContact SG-CA 3.34Å; C616-C630 WeakPolarHBondContact SG-CB 3.19Å; C616-C630 CovalentContact SG-SG 2.03Å; C616-C630 PolarHBondContact SG-SG 2.83Å; H620-C630 WeakPolarHBondContact O-CA 3.45Å; C630-C641 VanDerWaalsContact CB-SG 3.54Å
631	S	87.9	Confident	80.9	Confident	24 Å²	24	69.2 Å²	69.2	17%	0.168	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	115.7	163.5	-167.5	0	0	0	0	108.7	G619 H620	G619-S631 CarbonylContact C-O 3.56Å; G619-S631 WeakPolarHBondContact CA-O 3.47Å; H620-S631 PolarHBondContact N-O 2.81Å; H620-S631 PolarHBondContact O-N 2.88Å
632	C	87.4	Confident	80.9	Confident	42 Å²	42	72.2 Å²	72.2	28%	0.284	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	143.2	-170.5	-52.9	0	0	0	0	112.4	Y636 C641	C632-Y636 WeakPolarHBondContact CB-O 3.33Å; C632-C641 WeakPolarHBondContact CA-SG 3.02Å; C632-C641 HydrophobicContact CB-CB 3.71Å; C632-C641 WeakPolarHBondContact CB-SG 3.18Å; C632-C641 PolarHBondContact N-SG 3.15Å; C632-C641 VanDerWaalsContact N-SG 3.43Å; C632-C641 WeakPolarHBondContact SG-CA 3.03Å; C632-C641 WeakPolarHBondContact SG-CB 3.42Å; C632-C641 CovalentContact SG-SG 2.04Å; C632-C641 PolarHBondContact SG-SG 2.91Å
633	I	83.1	Confident	80.9	Confident	85 Å²	85	74.9 Å²	74.9	44%	0.436	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-63.2	152.4	167.9	-61.5	167	0	0	0	107.9	R618 Y636	R618-I633 PolarHBondContact O-N 2.83Å; I633-Y636 HydrophobicContact CB-CD2 4.26Å; I633-Y636 WeakPolarHBondContact O-CB 3.41Å; I633-Y636 PolarHBondContact O-N 3.01Å
634	S	71.1	Confident	80.7	Confident	98 Å²	98	76.8 Å²	76.8	69%	0.685	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	147.2	171.5	45.1	0	0	0	0	111	Y636	S634-Y636 WeakPolarHBondContact O-CD2 3.33Å; S634-Y636 PolarHBondContact O-N 2.89Å
635	Q	77.2	Confident	80.4	Confident	98 Å²	98	77.9 Å²	77.9	46%	0.458	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	-3.4	-166.8	-45.7	167.5	1.7	0	0	116.1	F644 T645	Q635-F644 HydrophobicContact CB-CD2 3.97Å; Q635-F644 HydrophobicContact CB-CE2 3.54Å; Q635-F644 HydrophobicContact CB-CZ 4.42Å; Q635-F644 HydrophobicContact CG-CE2 4.39Å; Q635-F644 CarbonylContact O-C 3.59Å; Q635-F644 WeakPolarHBondContact O-CA 3.27Å; Q635-F644 VanDerWaalsContact O-CD2 3.31Å; Q635-F644 WeakPolarHBondContact O-CD2 3.13Å; Q635-F644 VanDerWaalsContact OE1-CE2 3.31Å; Q635-T645 PolarHBondContact O-N 2.91Å; Q635-T645 PolarHBondContact O-OG1 2.98Å
636	Y	81.1	Confident	79.7	Confident	46 Å²	46	77.5 Å²	77.5	18%	0.18	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	145.3	176.9	-64.1	-82.1	0	0	0	114.4	R618 C632 I633 S634 L643 F644	R618-Y636 HydrophobicContact CB-CD1 3.89Å; R618-Y636 HydrophobicContact CB-CD2 4.02Å; R618-Y636 HydrophobicContact CB-CE1 4.14Å; R618-Y636 HydrophobicContact CB-CE2 4.26Å; R618-Y636 HydrophobicContact CB-CG 3.84Å; R618-Y636 HydrophobicContact CG-CD1 4.47Å; R618-Y636 HydrophobicContact CG-CE1 4.28Å; R618-Y636 PolarHBondContact NH1-OH 2.82Å; C632-Y636 WeakPolarHBondContact CB-O 3.33Å; I633-Y636 HydrophobicContact CB-CD2 4.26Å; I633-Y636 WeakPolarHBondContact O-CB 3.41Å; I633-Y636 PolarHBondContact O-N 3.01Å; S634-Y636 WeakPolarHBondContact O-CD2 3.33Å; S634-Y636 PolarHBondContact O-N 2.89Å; Y636-L643 CarbonylContact C-O 3.47Å; Y636-L643 VanDerWaalsContact CA-O 3.3Å; Y636-L643 WeakPolarHBondContact CA-O 3.44Å; Y636-F644 HydrophobicContact CD1-CB 4.41Å; Y636-F644 HydrophobicContact CD1-CD2 4.1Å; Y636-F644 HydrophobicContact CE1-CB 4.04Å; Y636-F644 AromaticContact CE1-CD2 3.46Å; Y636-F644 HydrophobicContact CE1-CD2 3.46Å; Y636-F644 VanDerWaalsContact CE1-CD2 3.46Å; Y636-F644 HydrophobicContact CE1-CE2 4.31Å; Y636-F644 HydrophobicContact CE1-CG 4.16Å; Y636-F644 HydrophobicContact CE2-CD2 4.09Å; Y636-F644 HydrophobicContact CE2-CE2 4.25Å; Y636-F644 AromaticContact CZ-CD2 3.45Å; Y636-F644 VanDerWaalsContact CZ-CD2 3.45Å; Y636-F644 AromaticContact CZ-CE2 3.83Å
637	R	77.6	Confident	78.3	Confident	141 Å²	141	80.5 Å²	80.5	53%	0.532	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	179.1	-179.7	-57	-172.9	-172.1	-162	0.7	110.3	C641 D642 L643 T645 E647	R637-C641 CarbonylContact O-C 3.56Å; R637-C641 WeakPolarHBondContact O-CA 3.35Å; R637-D642 PolarHBondContact O-N 2.9Å; R637-L643 HydrophobicContact CB-CB 4.38Å; R637-L643 PolarHBondContact N-O 3.16Å; R637-L643 WeakPolarHBondContact O-CB 3.3Å; R637-L643 PolarHBondContact O-N 3.41Å; R637-T645 HydrophobicContact CG-CG2 4.45Å; R637-E647 IonicContact NH2-OE1 3.75Å; R637-E647 PolarHBondContact NH2-OE1 2.82Å
638	G	78.7	Confident	76.3	Confident	34 Å²	34	83 Å²	83	35%	0.351	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.9	163.8	-176.5	0	0	0	0	0	112.5	R640 C641 D642	G638-R640 PolarHBondContact O-N 3.15Å; G638-C641 PolarHBondContact O-N 2.61Å; G638-D642 WeakPolarHBondContact CA-OD1 3.11Å
639	V	82.9	Confident	74.1	Confident	116 Å²	116	88.9 Å²	88.9	70%	0.703	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-26.5	-172.8	-178.9	0	0	0	0	111.7	D642	V639-D642 PolarHBondContact N-OD1 2.94Å
640	R	88.5	Confident	71.7	Confident	96 Å²	96	93 Å²	93	36%	0.362	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116	14.4	178.8	-60.6	-179.7	67.8	-163.9	-1.8	112.4	N614 Y615 H617 G638 D642	N614-R640 PolarHBondContact O-NH2 3.46Å; Y615-R640 HydrophobicContact CE2-CG 4.49Å; Y615-R640 PolarHBondContact O-NE 2.81Å; Y615-R640 PolarHBondContact O-NH2 2.64Å; H617-R640 PolarHBondContact N-O 2.9Å; G638-R640 PolarHBondContact O-N 3.15Å; R640-D642 PolarHBondContact N-OD1 3.37Å
641	C	87.3	Confident	69.2	Low	1 Å²	1	97.7 Å²	97.7	1%	0.007	50%	0.498	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	48.5	-173.9	-50.8	0	0	0	0	112.6	R618 C630 C632 R637 G638	R618-C641 PolarHBondContact N-O 3.39Å; R618-C641 WeakPolarHBondContact O-CB 3.13Å; C630-C641 VanDerWaalsContact CB-SG 3.54Å; C632-C641 WeakPolarHBondContact CA-SG 3.02Å; C632-C641 HydrophobicContact CB-CB 3.71Å; C632-C641 WeakPolarHBondContact CB-SG 3.18Å; C632-C641 PolarHBondContact N-SG 3.15Å; C632-C641 VanDerWaalsContact N-SG 3.43Å; C632-C641 WeakPolarHBondContact SG-CA 3.03Å; C632-C641 WeakPolarHBondContact SG-CB 3.42Å; C632-C641 CovalentContact SG-SG 2.04Å; C632-C641 PolarHBondContact SG-SG 2.91Å; R637-C641 CarbonylContact O-C 3.56Å; R637-C641 WeakPolarHBondContact O-CA 3.35Å; G638-C641 PolarHBondContact O-N 2.61Å
642	D	85.6	Confident	66.8	Low	90 Å²	90	103.6 Å²	103.6	48%	0.481	52%	0.522	S	S	.	.			trans	-101.3	-15.5	-170.7	48.1	-64.2	0	0	0	113.7	R637 G638 V639 R640	R637-D642 PolarHBondContact O-N 2.9Å; G638-D642 WeakPolarHBondContact CA-OD1 3.11Å; V639-D642 PolarHBondContact N-OD1 2.94Å; R640-D642 PolarHBondContact N-OD1 3.37Å
643	L	81.8	Confident	64.2	Low	99 Å²	99	108.4 Å²	108.4	52%	0.518	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	130.6	-178.2	-54.6	174.2	0	0	0	110.9	Y636 R637	Y636-L643 CarbonylContact C-O 3.47Å; Y636-L643 VanDerWaalsContact CA-O 3.3Å; Y636-L643 WeakPolarHBondContact CA-O 3.44Å; R637-L643 HydrophobicContact CB-CB 4.38Å; R637-L643 PolarHBondContact N-O 3.16Å; R637-L643 WeakPolarHBondContact O-CB 3.3Å; R637-L643 PolarHBondContact O-N 3.41Å
644	F	78.2	Confident	61.8	Low	111 Å²	111	111.3 Å²	111.3	49%	0.487	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.8	144.4	176.5	-174.6	-119.9	0	0	0	112	Q635 Y636 T646	Q635-F644 HydrophobicContact CB-CD2 3.97Å; Q635-F644 HydrophobicContact CB-CE2 3.54Å; Q635-F644 HydrophobicContact CB-CZ 4.42Å; Q635-F644 HydrophobicContact CG-CE2 4.39Å; Q635-F644 CarbonylContact O-C 3.59Å; Q635-F644 WeakPolarHBondContact O-CA 3.27Å; Q635-F644 VanDerWaalsContact O-CD2 3.31Å; Q635-F644 WeakPolarHBondContact O-CD2 3.13Å; Q635-F644 VanDerWaalsContact OE1-CE2 3.31Å; Y636-F644 HydrophobicContact CD1-CB 4.41Å; Y636-F644 HydrophobicContact CD1-CD2 4.1Å; Y636-F644 HydrophobicContact CE1-CB 4.04Å; Y636-F644 AromaticContact CE1-CD2 3.46Å; Y636-F644 HydrophobicContact CE1-CD2 3.46Å; Y636-F644 VanDerWaalsContact CE1-CD2 3.46Å; Y636-F644 HydrophobicContact CE1-CE2 4.31Å; Y636-F644 HydrophobicContact CE1-CG 4.16Å; Y636-F644 HydrophobicContact CE2-CD2 4.09Å; Y636-F644 HydrophobicContact CE2-CE2 4.25Å; Y636-F644 AromaticContact CZ-CD2 3.45Å; Y636-F644 VanDerWaalsContact CZ-CD2 3.45Å; Y636-F644 AromaticContact CZ-CE2 3.83Å; F644-T646 HydrophobicContact CD1-CG2 4.36Å; F644-T646 HydrophobicContact CE1-CG2 3.65Å; F644-T646 HydrophobicContact CZ-CG2 4.33Å
645	T	66.5	Low	60.1	Low	40 Å²	40	115.1 Å²	115.1	25%	0.245	56%	0.563	C	S	.	*			trans	-133.2	118	175.3	54.3	0	0	0	0	111.6	Q635 R637 E647	Q635-T645 PolarHBondContact O-N 2.91Å; Q635-T645 PolarHBondContact O-OG1 2.98Å; R637-T645 HydrophobicContact CG-CG2 4.45Å; T645-E647 PolarHBondContact O-N 2.69Å
646	T	54.2	Low	57.8	Low	123 Å²	123	117.6 Å²	117.6	76%	0.755	58%	0.579	S	S	*	*			trans	-79	111.6	171.7	40	0	0	0	0	110.9	F644	F644-T646 HydrophobicContact CD1-CG2 4.36Å; F644-T646 HydrophobicContact CE1-CG2 3.65Å; F644-T646 HydrophobicContact CZ-CG2 4.33Å
647	E	45.3	Very low	55.5	Low	133 Å²	133	121.4 Å²	121.4	62%	0.621	61%	0.609	S	S	*	*			trans	-95.7	144.8	173.1	-70.9	171.7	165.9	0	0	109.6	R637 T645	R637-E647 IonicContact NH2-OE1 3.75Å; R637-E647 PolarHBondContact NH2-OE1 2.82Å; T645-E647 PolarHBondContact O-N 2.69Å
648	K	35.5	Very low	53	Low	186 Å²	186	121.4 Å²	121.4	81%	0.809	62%	0.618	S	S	*	*			trans	-114.1	113.5	176.1	-82.4	-160.9	169.4	-151.9	0	110.7
649	E	35.6	Very low	50.7	Low	168 Å²	168	127.9 Å²	127.9	79%	0.785	65%	0.645	S	S	*	*			trans	52.7	86.2	143.6	-61.7	165.3	126.8	0	0	117.2
650	E	32.5	Very low	48.1	Very low	192 Å²	192	130.3 Å²	130.3	90%	0.897	65%	0.649	S	S	*	*			trans	-80.5	153.8	137.7	-66.1	-172.8	139.2	0	0	109
651	N	35.7	Very low	45.3	Very low	129 Å²	129	131.3 Å²	131.3	69%	0.69	67%	0.67	S	S	*	*			trans	-159.9	138.3	161.7	-121.1	-20.3	0	0	0	114.8
652	H	36.8	Very low	42.5	Very low	148 Å²	148	139 Å²	139	69%	0.685	70%	0.703	S	S	*	*			trans	65.4	117.9	165.8	-48	-47.5	0	0	0	118.2
653	L	33.4	Very low	40	Very low	142 Å²	142	142 Å²	142	74%	0.743	71%	0.712	S	S	*	*				79.3	146.9	79.9	-114.4	61.7	0	0	0	112.8
654	E	32.6	Very low	37.7	Very low	146 Å²	146	143.2 Å²	143.2	68%	0.682	72%	0.719	S	S	*	*			cis	-160.4	138.3	23.7	-165.2	152.3	-133.3	0	0	115.5
655	Q	34.9	Very low	35.3	Very low	179 Å²	179	142.7 Å²	142.7	84%	0.836	73%	0.729	S	S	*	*			trans	40.4	-177.6	148.2	-60.3	-176.2	15.4	0	0	125.1
656	L	30.2	Very low	33.6	Very low	150 Å²	150	146.4 Å²	146.4	79%	0.785	76%	0.756	S	S	*	*			trans	-127.1	166	-155.8	-99.1	164.6	0	0	0	110.1
657	P	31.5	Very low	32.7	Very low	126 Å²	126	149.3 Å²	149.3	82%	0.818	76%	0.761	S	S	*	*				-155.5	-161	75.9	42.1	-18.7	0	0	0	117
658	I	26.4	Very low	32	Very low	141 Å²	141	148.6 Å²	148.6	72%	0.723	77%	0.77	S	S	*	*			trans	-117.1	155.3	-165.6	-61.8	160.5	0	0	0	111.3
659	N	29.6	Very low	32	Very low	170 Å²	170	143 Å²	143	91%	0.909	77%	0.765	S	S	*	*			trans	-154.4	161	151.7	-113.9	-32.4	0	0	0	112.7
660	E	27.1	Very low	32	Very low	167 Å²	167	140.2 Å²	140.2	78%	0.78	76%	0.764	S	S	*	*			trans	-119.3	175.4	-158.6	-58.2	-166.6	120.9	0	0	117.4
661	S	30.6	Very low	32.5	Very low	116 Å²	116	140.6 Å²	140.6	81%	0.811	77%	0.765	S	S	*	*			trans	79.7	161.1	156.5	88.8	0	0	0	0	117.5
662	K	29	Very low	33.6	Very low	162 Å²	162	137.8 Å²	137.8	70%	0.704	76%	0.755	S	S	*	*			cis	-160.4	179	1.7	-155.2	168.4	164.4	-178.8	0	112
663	F	33.1	Very low	34.7	Very low	154 Å²	154	135.7 Å²	135.7	68%	0.675	75%	0.75	S	S	*	*			trans	84.7	94.9	156.8	-75.6	-72.3	0	0	0	122.5
664	D	32.3	Very low	36.4	Very low	124 Å²	124	135 Å²	135	66%	0.663	75%	0.746	S	S	*	*				69.1	111.2	107	-59.2	13.8	0	0	0	125.3
665	S	28.2	Very low	37.9	Very low	100 Å²	100	131.2 Å²	131.2	70%	0.699	74%	0.739	S	S	*	*				29.5	148.8	124.2	60.1	0	0	0	0	126.6
666	C	31.2	Very low	39.6	Very low	118 Å²	118	131.3 Å²	131.3	80%	0.797	73%	0.732	S	S	*	*			trans	73.8	156.1	157.5	-66.1	0	0	0	0	117.8
667	E	34.6	Very low	41.7	Very low	185 Å²	185	129.6 Å²	129.6	86%	0.864	72%	0.723	S	S	*	*			cis	-140.1	-169.5	0.7	-141.9	174.8	145.2	0	0	112.5
668	S	32.1	Very low	43.8	Very low	117 Å²	117	128.5 Å²	128.5	82%	0.818	71%	0.709	S	S	*	*			trans	-98.7	164.4	-167.2	71.7	0	0	0	0	115.3
669	G	34.5	Very low	46.3	Very low	68 Å²	68	126.7 Å²	126.7	70%	0.701	70%	0.701	S	S	*	*			trans	-179.6	155.7	172.1	0	0	0	0	0	116.6
670	C	36.3	Very low	48.7	Very low	111 Å²	111	125.8 Å²	125.8	75%	0.75	69%	0.689	S	S	*	*			trans	69	70.3	168.7	-62.5	0	0	0	0	118.6
671	E	43	Very low	51.2	Low	200 Å²	200	120.7 Å²	120.7	94%	0.935	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	136.2	142.2	-64.3	-162.1	128.8	0	0	110.2
672	S	58.9	Low	53.7	Low	69 Å²	69	118.8 Å²	118.8	48%	0.483	66%	0.655	S	S	.	*	T	Hydrogen-bonded Turn	trans	159.5	-44.3	168	43.5	0	0	0	0	111	L674 A675	S672-L674 VanDerWaalsContact C-N 3.34Å; S672-L674 PolarHBondContact O-N 3.12Å; S672-A675 PolarHBondContact O-N 2.94Å
673	N	59.8	Low	56.5	Low	105 Å²	105	114.9 Å²	114.9	56%	0.561	64%	0.641	S	S	*	*	H	α-helix	trans	-65.6	-34.2	-173.9	-74	-54.7	0	0	0	113.2	R676 I677	N673-R676 PolarHBondContact O-N 2.78Å; N673-I677 VanDerWaalsContact O-CG1 3.31Å; N673-I677 WeakPolarHBondContact O-CG1 3.33Å; N673-I677 PolarHBondContact O-N 2.97Å; N673-I677 VanDerWaalsContact O-N 3.1Å
674	L	67.8	Low	58.9	Low	127 Å²	127	109.2 Å²	109.2	67%	0.665	63%	0.626	S	S	*	*	H	α-helix	trans	-63.8	-45.9	180	-166.5	72.7	0	0	0	111.9	S672 R676 I677 L678	S672-L674 VanDerWaalsContact C-N 3.34Å; S672-L674 PolarHBondContact O-N 3.12Å; L674-R676 VanDerWaalsContact C-N 3.35Å; L674-R676 PolarHBondContact O-N 3.25Å; L674-I677 PolarHBondContact O-N 2.85Å; L674-I677 VanDerWaalsContact O-N 3.17Å; L674-L678 HydrophobicContact CG-CD1 4.35Å; L674-L678 WeakPolarHBondContact O-CG 3.36Å; L674-L678 PolarHBondContact O-N 2.87Å
675	A	65.8	Low	61.6	Low	66 Å²	66	107.9 Å²	107.9	55%	0.545	62%	0.618	S	S	.	*	H	α-helix	trans	-60	-42.9	178.9	0	0	0	0	0	112	S672 L678 L679	S672-A675 PolarHBondContact O-N 2.94Å; A675-L678 PolarHBondContact O-N 3.45Å; A675-L679 WeakPolarHBondContact O-CB 3.33Å; A675-L679 PolarHBondContact O-N 2.81Å
676	R	69.6	Low	64.6	Low	181 Å²	181	108.2 Å²	108.2	68%	0.683	61%	0.611	S	S	*	*	H	α-helix	trans	-62.8	-41.6	174.6	-79.1	-177.1	164.3	-178	-4.4	112.6	N673 L674 L678 L679 F680	N673-R676 PolarHBondContact O-N 2.78Å; L674-R676 VanDerWaalsContact C-N 3.35Å; L674-R676 PolarHBondContact O-N 3.25Å; R676-L678 VanDerWaalsContact C-N 3.35Å; R676-L679 PolarHBondContact O-N 2.83Å; R676-F680 WeakPolarHBondContact O-CD2 3.27Å; R676-F680 PolarHBondContact O-N 3.1Å
677	I	73.7	Confident	67.4	Low	115 Å²	115	107 Å²	107	59%	0.59	60%	0.596	S	S	*	*	H	α-helix	trans	-63.7	-41	177.5	-69.5	165.2	0	0	0	111.1	N673 L674 S681	N673-I677 VanDerWaalsContact O-CG1 3.31Å; N673-I677 WeakPolarHBondContact O-CG1 3.33Å; N673-I677 PolarHBondContact O-N 2.97Å; N673-I677 VanDerWaalsContact O-N 3.1Å; L674-I677 PolarHBondContact O-N 2.85Å; L674-I677 VanDerWaalsContact O-N 3.17Å; I677-S681 WeakPolarHBondContact O-CB 3.27Å; I677-S681 PolarHBondContact O-N 2.85Å
678	L	75.5	Confident	69.8	Low	102 Å²	102	100.7 Å²	100.7	53%	0.534	57%	0.573	S	S	.	*	H	α-helix	trans	-64.5	-41.3	175.4	-68.6	170.5	0	0	0	112.1	L674 A675 R676 S681 T682	L674-L678 HydrophobicContact CG-CD1 4.35Å; L674-L678 WeakPolarHBondContact O-CG 3.36Å; L674-L678 PolarHBondContact O-N 2.87Å; A675-L678 PolarHBondContact O-N 3.45Å; R676-L678 VanDerWaalsContact C-N 3.35Å; L678-S681 VanDerWaalsContact O-CB 3.28Å; L678-S681 WeakPolarHBondContact O-CB 3.19Å; L678-S681 PolarHBondContact O-N 2.83Å; L678-S681 VanDerWaalsContact O-N 3.16Å; L678-T682 PolarHBondContact O-N 2.76Å; L678-T682 PolarHBondContact O-OG1 2.85Å
679	L	78.6	Confident	72.6	Confident	104 Å²	104	100 Å²	100	55%	0.545	56%	0.559	S	S	.	*	H	α-helix	trans	-68.2	-40.1	-179	-158	158.2	0	0	0	112.3	A675 R676 S681 T682 I683	A675-L679 WeakPolarHBondContact O-CB 3.33Å; A675-L679 PolarHBondContact O-N 2.81Å; R676-L679 PolarHBondContact O-N 2.83Å; L679-S681 VanDerWaalsContact C-N 3.3Å; L679-S681 PolarHBondContact O-N 2.81Å; L679-T682 PolarHBondContact O-OG1 2.82Å; L679-T682 VanDerWaalsContact O-OG1 3.04Å; L679-I683 HydrophobicContact CD2-CD1 3.68Å; L679-I683 HydrophobicContact CD2-CG1 4.48Å; L679-I683 WeakPolarHBondContact O-CG1 3.35Å; L679-I683 PolarHBondContact O-N 3.28Å
680	F	80.4	Confident	75.2	Confident	150 Å²	150	102.1 Å²	102.1	66%	0.658	55%	0.554	S	S	*	*	H	α-helix	trans	-68.4	-29.6	171	-72.1	-62.3	0	0	0	112.8	R676 G684	R676-F680 WeakPolarHBondContact O-CD2 3.27Å; R676-F680 PolarHBondContact O-N 3.1Å; F680-G684 PolarHBondContact O-N 3.27Å; F680-G684 VanDerWaalsContact O-N 3.12Å
681	S	79.8	Confident	77.7	Confident	60 Å²	60	102 Å²	102	42%	0.42	55%	0.545	S	S	.	.	H	α-helix	trans	-65.4	-48.3	175	-176	0	0	0	0	112	I677 L678 L679 I683 G684 I685	I677-S681 WeakPolarHBondContact O-CB 3.27Å; I677-S681 PolarHBondContact O-N 2.85Å; L678-S681 VanDerWaalsContact O-CB 3.28Å; L678-S681 WeakPolarHBondContact O-CB 3.19Å; L678-S681 PolarHBondContact O-N 2.83Å; L678-S681 VanDerWaalsContact O-N 3.16Å; L679-S681 VanDerWaalsContact C-N 3.3Å; L679-S681 PolarHBondContact O-N 2.81Å; S681-I683 PolarHBondContact O-N 3.01Å; S681-G684 PolarHBondContact O-N 3.38Å; S681-I685 WeakPolarHBondContact O-CG1 3.16Å; S681-I685 PolarHBondContact O-N 2.99Å
682	T	82.8	Confident	79.9	Confident	77 Å²	77	97.1 Å²	97.1	47%	0.472	52%	0.524	S	S	.	.	H	α-helix	trans	-64.6	-42	-179.2	53	0	0	0	0	112.4	L678 L679 G684 I685 L686	L678-T682 PolarHBondContact O-N 2.76Å; L678-T682 PolarHBondContact O-OG1 2.85Å; L679-T682 PolarHBondContact O-OG1 2.82Å; L679-T682 VanDerWaalsContact O-OG1 3.04Å; T682-G684 VanDerWaalsContact C-N 3.35Å; T682-G684 PolarHBondContact O-N 2.83Å; T682-I685 PolarHBondContact O-N 3.2Å; T682-L686 PolarHBondContact O-N 3.46Å
683	I	88.1	Confident	81.3	Confident	80 Å²	80	101.1 Å²	101.1	41%	0.41	53%	0.533	S	S	.	.	H	α-helix	trans	-60.4	-43.8	173.9	-65.9	173.3	0	0	0	111	L679 S681 I685 L686 I687	L679-I683 HydrophobicContact CD2-CD1 3.68Å; L679-I683 HydrophobicContact CD2-CG1 4.48Å; L679-I683 WeakPolarHBondContact O-CG1 3.35Å; L679-I683 PolarHBondContact O-N 3.28Å; S681-I683 PolarHBondContact O-N 3.01Å; I683-I685 VanDerWaalsContact C-N 3.3Å; I683-I685 PolarHBondContact O-N 3.32Å; I683-L686 PolarHBondContact O-N 2.92Å; I683-I687 HydrophobicContact CG2-CD1 3.81Å; I683-I687 HydrophobicContact CG2-CG1 4.49Å; I683-I687 WeakPolarHBondContact O-CG1 3.33Å; I683-I687 PolarHBondContact O-N 3.17Å
684	G	84.2	Confident	82.6	Confident	35 Å²	35	102.9 Å²	102.9	36%	0.361	54%	0.536	S	S	.	.	H	α-helix	trans	-63	-33.1	177.4	0	0	0	0	0	113.9	F680 S681 T682 S688	F680-G684 PolarHBondContact O-N 3.27Å; F680-G684 VanDerWaalsContact O-N 3.12Å; S681-G684 PolarHBondContact O-N 3.38Å; T682-G684 VanDerWaalsContact C-N 3.35Å; T682-G684 PolarHBondContact O-N 2.83Å; G684-S688 WeakPolarHBondContact O-CB 3.48Å; G684-S688 PolarHBondContact O-N 2.95Å; G684-S688 PolarHBondContact O-OG 3.29Å
685	I	89.8	Confident	83.5	Confident	95 Å²	95	101.6 Å²	101.6	49%	0.487	53%	0.529	S	S	.	.	H	α-helix	trans	-71.4	-47.1	174.3	-67.8	164.2	0	0	0	110.6	S681 T682 I683 I687 S688 L689	S681-I685 WeakPolarHBondContact O-CG1 3.16Å; S681-I685 PolarHBondContact O-N 2.99Å; T682-I685 PolarHBondContact O-N 3.2Å; I683-I685 VanDerWaalsContact C-N 3.3Å; I683-I685 PolarHBondContact O-N 3.32Å; I685-I687 PolarHBondContact O-N 2.81Å; I685-S688 WeakPolarHBondContact O-CB 3.4Å; I685-S688 PolarHBondContact O-N 2.88Å; I685-S688 VanDerWaalsContact O-N 3.09Å; I685-L689 HydrophobicContact CG2-CD1 3.99Å; I685-L689 HydrophobicContact CG2-CG 4.41Å; I685-L689 WeakPolarHBondContact O-CG 3.04Å; I685-L689 PolarHBondContact O-N 2.96Å
686	L	89.2	Confident	84.4	Confident	107 Å²	107	101.8 Å²	101.8	56%	0.56	53%	0.526	S	S	*	.	H	α-helix	trans	-57.7	-46.4	178	-82	161.6	0	0	0	112.6	T682 I683 S688 L689 L690	T682-L686 PolarHBondContact O-N 3.46Å; I683-L686 PolarHBondContact O-N 2.92Å; L686-S688 VanDerWaalsContact C-N 3.3Å; L686-S688 PolarHBondContact O-N 3.06Å; L686-L689 PolarHBondContact O-N 3.27Å; L686-L690 PolarHBondContact O-N 3.43Å
687	I	90.2	Very high	85.1	Confident	94 Å²	94	95.3 Å²	95.3	48%	0.482	51%	0.509	S	S	.	.	H	α-helix	trans	-63.3	-37.8	176.1	-65.5	168.9	0	0	0	111	I683 I685 L691	I683-I687 HydrophobicContact CG2-CD1 3.81Å; I683-I687 HydrophobicContact CG2-CG1 4.49Å; I683-I687 WeakPolarHBondContact O-CG1 3.33Å; I683-I687 PolarHBondContact O-N 3.17Å; I685-I687 PolarHBondContact O-N 2.81Å; I687-L691 HydrophobicContact CG2-CD1 4.23Å; I687-L691 WeakPolarHBondContact O-CG 3.4Å; I687-L691 PolarHBondContact O-N 2.04Å; I687-L691 VanDerWaalsContact O-N 3.1Å
688	S	85.9	Confident	85.5	Confident	52 Å²	52	94 Å²	94	36%	0.364	50%	0.502	S	S	.	.	H	α-helix	trans	-65.8	-39.7	176.6	-61.8	0	0	0	0	112.3	G684 I685 L686 I692	G684-S688 WeakPolarHBondContact O-CB 3.48Å; G684-S688 PolarHBondContact O-N 2.95Å; G684-S688 PolarHBondContact O-OG 3.29Å; I685-S688 WeakPolarHBondContact O-CB 3.4Å; I685-S688 PolarHBondContact O-N 2.88Å; I685-S688 VanDerWaalsContact O-N 3.09Å; L686-S688 VanDerWaalsContact C-N 3.3Å; L686-S688 PolarHBondContact O-N 3.06Å; S688-I692 WeakPolarHBondContact O-CD1 3.49Å; S688-I692 VanDerWaalsContact O-CG1 3.28Å; S688-I692 WeakPolarHBondContact O-CG1 3.42Å; S688-I692 PolarHBondContact O-N 2.79Å
689	L	89.7	Confident	85.6	Confident	101 Å²	101	96.5 Å²	96.5	53%	0.529	51%	0.509	S	S	.	.	H	α-helix	trans	-67.8	-42.8	177.1	-70.4	170.7	0	0	0	111.9	I685 L686 L691 I692 F693	I685-L689 HydrophobicContact CG2-CD1 3.99Å; I685-L689 HydrophobicContact CG2-CG 4.41Å; I685-L689 WeakPolarHBondContact O-CG 3.04Å; I685-L689 PolarHBondContact O-N 2.96Å; L686-L689 PolarHBondContact O-N 3.27Å; L689-L691 VanDerWaalsContact C-N 3.35Å; L689-L691 PolarHBondContact O-N 3.36Å; L689-I692 PolarHBondContact O-N 2.77Å; L689-F693 PolarHBondContact O-N 2.95Å
690	L	89.8	Confident	85.7	Confident	114 Å²	114	98.7 Å²	98.7	60%	0.597	52%	0.516	S	S	*	.	H	α-helix	trans	-58.9	-43.5	174.4	-93.1	164.1	0	0	0	112.5	L686 F693 F694	L686-L690 PolarHBondContact O-N 3.43Å; L690-F693 PolarHBondContact O-N 3.25Å; L690-F694 PolarHBondContact O-N 3.26Å
691	L	88.9	Confident	85.7	Confident	108 Å²	108	97 Å²	97	57%	0.565	51%	0.513	S	S	*	.	H	α-helix	trans	-65.9	-38.8	176	-76.7	169.1	0	0	0	112.6	I687 L689 L695	I687-L691 HydrophobicContact CG2-CD1 4.23Å; I687-L691 WeakPolarHBondContact O-CG 3.4Å; I687-L691 PolarHBondContact O-N 2.04Å; I687-L691 VanDerWaalsContact O-N 3.1Å; L689-L691 VanDerWaalsContact C-N 3.35Å; L689-L691 PolarHBondContact O-N 3.36Å; L691-L695 WeakPolarHBondContact O-CB 3.42Å; L691-L695 VanDerWaalsContact O-CG 3.28Å; L691-L695 WeakPolarHBondContact O-CG 2.99Å; L691-L695 PolarHBondContact O-N 2.92Å
692	I	90	Very high	85.5	Confident	98 Å²	98	97.8 Å²	97.8	50%	0.503	52%	0.518	S	S	.	.	H	α-helix	trans	-63.3	-44.6	174	-71.1	164.4	0	0	0	110.3	S688 L689 F694 L695 C696	S688-I692 WeakPolarHBondContact O-CD1 3.49Å; S688-I692 VanDerWaalsContact O-CG1 3.28Å; S688-I692 WeakPolarHBondContact O-CG1 3.42Å; S688-I692 PolarHBondContact O-N 2.79Å; L689-I692 PolarHBondContact O-N 2.77Å; I692-F694 PolarHBondContact O-N 2.83Å; I692-L695 PolarHBondContact O-N 2.94Å; I692-C696 WeakPolarHBondContact O-CB 3.42Å; I692-C696 PolarHBondContact O-N 2.85Å; I692-C696 PolarHBondContact O-SG 2.83Å; I692-C696 VanDerWaalsContact O-SG 3.37Å
693	F	87.3	Confident	85.1	Confident	153 Å²	153	101.7 Å²	101.7	67%	0.671	53%	0.525	S	S	*	.	H	α-helix	trans	-61	-47.6	179.1	-157.5	-86	0	0	0	111.5	L689 L690 L695 C696 S697	L689-F693 PolarHBondContact O-N 2.95Å; L690-F693 PolarHBondContact O-N 3.25Å; F693-L695 PolarHBondContact O-N 2.9Å; F693-C696 WeakPolarHBondContact O-CB 3.3Å; F693-C696 PolarHBondContact O-N 2.86Å; F693-C696 VanDerWaalsContact O-N 3.17Å; F693-S697 PolarHBondContact O-N 2.89Å; F693-S697 PolarHBondContact O-OG 3.25Å; F693-S697 VanDerWaalsContact O-OG 3.14Å
694	F	87.7	Confident	84.3	Confident	141 Å²	141	106.1 Å²	106.1	62%	0.618	54%	0.541	S	S	*	.	H	α-helix	trans	-57.5	-44.5	174.8	-112.2	-84.8	0	0	0	112.6	L690 I692 S697 I698	L690-F694 PolarHBondContact O-N 3.26Å; I692-F694 PolarHBondContact O-N 2.83Å; F694-S697 PolarHBondContact O-N 3.44Å; F694-I698 VanDerWaalsContact O-CG1 3.3Å; F694-I698 WeakPolarHBondContact O-CG1 3.24Å; F694-I698 PolarHBondContact O-N 2.87Å
695	L	87.6	Confident	83.5	Confident	100 Å²	100	112.6 Å²	112.6	52%	0.524	56%	0.559	S	S	.	*	H	α-helix	trans	-65	-39.4	176.8	-72.3	169.9	0	0	0	111.8	L691 I692 F693 I698 F699	L691-L695 WeakPolarHBondContact O-CB 3.42Å; L691-L695 VanDerWaalsContact O-CG 3.28Å; L691-L695 WeakPolarHBondContact O-CG 2.99Å; L691-L695 PolarHBondContact O-N 2.92Å; I692-L695 PolarHBondContact O-N 2.94Å; F693-L695 PolarHBondContact O-N 2.9Å; L695-I698 PolarHBondContact O-N 3.37Å; L695-F699 WeakPolarHBondContact O-CB 3.28Å; L695-F699 WeakPolarHBondContact O-CD2 3.36Å; L695-F699 PolarHBondContact O-N 2.89Å
696	C	83.4	Confident	81.7	Confident	70 Å²	70	117.2 Å²	117.2	47%	0.473	57%	0.57	S	S	.	*	H	α-helix	trans	-63.2	-42.1	174.1	-74.2	0	0	0	0	112.3	I692 F693 F699 Q700	I692-C696 WeakPolarHBondContact O-CB 3.42Å; I692-C696 PolarHBondContact O-N 2.85Å; I692-C696 PolarHBondContact O-SG 2.83Å; I692-C696 VanDerWaalsContact O-SG 3.37Å; F693-C696 WeakPolarHBondContact O-CB 3.3Å; F693-C696 PolarHBondContact O-N 2.86Å; F693-C696 VanDerWaalsContact O-N 3.17Å; C696-F699 PolarHBondContact O-N 2.03Å; C696-Q700 PolarHBondContact O-N 2.83Å
697	S	84	Confident	80	Confident	46 Å²	46	117.7 Å²	117.7	32%	0.322	57%	0.57	S	S	.	*	H	α-helix	trans	-60.8	-45.6	173.9	-56	0	0	0	0	111.8	F693 F694 F699 Q700 I701	F693-S697 PolarHBondContact O-N 2.89Å; F693-S697 PolarHBondContact O-OG 3.25Å; F693-S697 VanDerWaalsContact O-OG 3.14Å; F694-S697 PolarHBondContact O-N 3.44Å; S697-F699 PolarHBondContact O-N 2.76Å; S697-Q700 PolarHBondContact O-N 2.86Å; S697-I701 VanDerWaalsContact O-CG1 3.31Å; S697-I701 WeakPolarHBondContact O-CG1 3.46Å; S697-I701 PolarHBondContact O-N 2.86Å
698	I	83.8	Confident	78.1	Confident	88 Å²	88	117.9 Å²	117.9	45%	0.451	58%	0.58	S	S	.	*	H	α-helix	trans	-60.8	-45	175.8	-67.2	167.5	0	0	0	110.6	F694 L695 Q700 I701 C702	F694-I698 VanDerWaalsContact O-CG1 3.3Å; F694-I698 WeakPolarHBondContact O-CG1 3.24Å; F694-I698 PolarHBondContact O-N 2.87Å; L695-I698 PolarHBondContact O-N 3.37Å; I698-Q700 PolarHBondContact O-N 2.83Å; I698-I701 PolarHBondContact O-N 2.82Å; I698-C702 WeakPolarHBondContact O-CB 3.5Å; I698-C702 PolarHBondContact O-N 2.99Å; I698-C702 PolarHBondContact O-SG 2.88Å; I698-C702 VanDerWaalsContact O-SG 3.37Å
699	F	77.4	Confident	76.3	Confident	154 Å²	154	119.1 Å²	119.1	68%	0.675	59%	0.588	S	S	*	*	H	α-helix	trans	-62.7	-40.2	177	-98	-78.3	0	0	0	112.9	L695 C696 S697 C702 Y703	L695-F699 WeakPolarHBondContact O-CB 3.28Å; L695-F699 WeakPolarHBondContact O-CD2 3.36Å; L695-F699 PolarHBondContact O-N 2.89Å; C696-F699 PolarHBondContact O-N 2.03Å; S697-F699 PolarHBondContact O-N 2.76Å; F699-C702 PolarHBondContact O-N 2.83Å; F699-Y703 VanDerWaalsContact O-CB 3.3Å; F699-Y703 WeakPolarHBondContact O-CB 3.36Å; F699-Y703 PolarHBondContact O-N 2.91Å
700	Q	79.4	Confident	74.2	Confident	150 Å²	150	120.2 Å²	120.2	70%	0.701	60%	0.595	S	S	*	*	H	α-helix	trans	-63.5	-44	174.5	-76.3	-167.3	-3.3	0	0	112	C696 S697 I698 C702 Y703 K704	C696-Q700 PolarHBondContact O-N 2.83Å; S697-Q700 PolarHBondContact O-N 2.86Å; I698-Q700 PolarHBondContact O-N 2.83Å; Q700-C702 PolarHBondContact O-N 2.88Å; Q700-Y703 PolarHBondContact O-N 3.33Å; Q700-K704 WeakPolarHBondContact O-CB 3.36Å; Q700-K704 PolarHBondContact O-N 3.17Å
701	I	81	Confident	71.8	Confident	114 Å²	114	125.6 Å²	125.6	59%	0.585	61%	0.607	S	S	*	*	H	α-helix	trans	-60	-47.3	176.3	-67.7	163.5	0	0	0	110.4	S697 I698 Y703 K705	S697-I701 VanDerWaalsContact O-CG1 3.31Å; S697-I701 WeakPolarHBondContact O-CG1 3.46Å; S697-I701 PolarHBondContact O-N 2.86Å; I698-I701 PolarHBondContact O-N 2.82Å; I701-Y703 PolarHBondContact O-N 3.04Å; I701-K705 WeakPolarHBondContact O-CB 3.4Å; I701-K705 PolarHBondContact O-N 3.3Å
702	C	75.8	Confident	69.5	Low	77 Å²	77	124.1 Å²	124.1	52%	0.52	61%	0.61	S	S	.	*	H	α-helix	trans	-62.6	-40	176.3	-71.2	0	0	0	0	112.8	I698 F699 Q700 R706	I698-C702 WeakPolarHBondContact O-CB 3.5Å; I698-C702 PolarHBondContact O-N 2.99Å; I698-C702 PolarHBondContact O-SG 2.88Å; I698-C702 VanDerWaalsContact O-SG 3.37Å; F699-C702 PolarHBondContact O-N 2.83Å; Q700-C702 PolarHBondContact O-N 2.88Å; C702-R706 WeakPolarHBondContact O-CB 3.02Å; C702-R706 PolarHBondContact O-N 3.13Å
703	Y	73.2	Confident	67	Low	159 Å²	159	125.1 Å²	125.1	62%	0.624	63%	0.625	S	S	*	*	H	α-helix	trans	-66.7	-46.8	179.2	-167.7	-88.7	0	0	0	111.6	F699 Q700 I701 K705 R706 Q707	F699-Y703 VanDerWaalsContact O-CB 3.3Å; F699-Y703 WeakPolarHBondContact O-CB 3.36Å; F699-Y703 PolarHBondContact O-N 2.91Å; Q700-Y703 PolarHBondContact O-N 3.33Å; I701-Y703 PolarHBondContact O-N 3.04Å; Y703-K705 VanDerWaalsContact C-N 3.34Å; Y703-K705 PolarHBondContact O-N 2.76Å; Y703-R706 PolarHBondContact O-N 3.15Å; Y703-R706 VanDerWaalsContact O-N 3.15Å; Y703-Q707 HydrophobicContact CE1-CG 4.13Å; Y703-Q707 PolarHBondContact O-N 2.93Å
704	K	72.8	Confident	64.5	Low	173 Å²	173	123.3 Å²	123.3	75%	0.752	63%	0.631	S	S	*	*	H	α-helix	trans	-61.2	-42.1	177.9	-143.6	172.7	-171.9	179	0	111.2	Q700 R706	Q700-K704 WeakPolarHBondContact O-CB 3.36Å; Q700-K704 PolarHBondContact O-N 3.17Å; K704-R706 PolarHBondContact O-N 3.09Å
705	K	66.5	Low	62.1	Low	170 Å²	170	121.6 Å²	121.6	74%	0.739	64%	0.636	S	S	*	*	H	α-helix	trans	-68.3	-30.9	176.5	-154.6	167.1	-171.5	174.5	0	112.9	I701 Y703	I701-K705 WeakPolarHBondContact O-CB 3.4Å; I701-K705 PolarHBondContact O-N 3.3Å; Y703-K705 VanDerWaalsContact C-N 3.34Å; Y703-K705 PolarHBondContact O-N 2.76Å
706	R	51.4	Low	59.7	Low	192 Å²	192	123 Å²	123	73%	0.725	65%	0.649	S	S	*	*	H	α-helix	trans	-75.5	-36.5	177.7	-164	170.6	-171.3	162.1	2.9	113.5	C702 Y703 K704 S708 S709	C702-R706 WeakPolarHBondContact O-CB 3.02Å; C702-R706 PolarHBondContact O-N 3.13Å; Y703-R706 PolarHBondContact O-N 3.15Å; Y703-R706 VanDerWaalsContact O-N 3.15Å; K704-R706 PolarHBondContact O-N 3.09Å; R706-S708 VanDerWaalsContact C-N 3.26Å; R706-S708 PolarHBondContact O-N 2.87Å; R706-S709 PolarHBondContact O-N 3.18Å
707	Q	53.8	Low	57.4	Low	118 Å²	118	126.3 Å²	126.3	55%	0.551	67%	0.667	S	S	*	*	H	α-helix	trans	-61.8	-34.1	173	-80.8	-167.7	-14.2	0	0	112.5	Y703 S709 N710	Y703-Q707 HydrophobicContact CE1-CG 4.13Å; Y703-Q707 PolarHBondContact O-N 2.93Å; Q707-S709 VanDerWaalsContact C-N 3.25Å; Q707-S709 PolarHBondContact O-N 3.29Å; Q707-N710 PolarHBondContact O-N 3.26Å
708	S	50.5	Low	54.9	Low	98 Å²	98	134 Å²	134	69%	0.685	69%	0.694	S	S	*	*	H	α-helix	trans	-63.5	-27.8	176.6	-166	0	0	0	0	113.7	R706	R706-S708 VanDerWaalsContact C-N 3.26Å; R706-S708 PolarHBondContact O-N 2.87Å
709	S	48.3	Very low	52.5	Low	78 Å²	78	135 Å²	135	55%	0.545	71%	0.709	S	S	.	*	H	α-helix	trans	-81.7	-30.2	-176.8	-164.7	0	0	0	0	113.2	R706 Q707 R711	R706-S709 PolarHBondContact O-N 3.18Å; Q707-S709 VanDerWaalsContact C-N 3.25Å; Q707-S709 PolarHBondContact O-N 3.29Å; S709-R711 PolarHBondContact O-N 2.03Å
710	N	45.3	Very low	50.5	Low	124 Å²	124	134.5 Å²	134.5	66%	0.663	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-7.6	-170.5	-82.6	25.4	0	0	0	114.6	Q707	Q707-N710 PolarHBondContact O-N 3.26Å
711	R	40.9	Very low	48.2	Very low	227 Å²	227	133.4 Å²	133.4	86%	0.857	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-9.7	177.6	-73.1	-173.5	175.8	175.6	-1	114.3	S709	S709-R711 PolarHBondContact O-N 2.03Å
712	A	40.3	Very low	46	Very low	76 Å²	76	134.2 Å²	134.2	63%	0.628	74%	0.735	S	S	*	*	S	Bend	trans	-89.2	-10.5	-173	0	0	0	0	0	115.5
713	C	36.6	Very low	43.8	Very low	120 Å²	120	139.4 Å²	139.4	81%	0.811	75%	0.749	S	S	*	*	S	Bend	trans	-115.7	31.7	-166.9	-58.3	0	0	0	0	114.6
714	S	35.9	Very low	42	Very low	115 Å²	115	139.2 Å²	139.2	80%	0.804	76%	0.758	S	S	*	*	S	Bend	trans	-132.2	15.7	-175.5	-168.2	0	0	0	0	114.4
715	S	36.5	Very low	40	Very low	104 Å²	104	138 Å²	138	73%	0.727	76%	0.76	S	S	*	*	S	Bend	trans	-119.9	7.9	-171.7	51.6	0	0	0	0	114.7
716	V	37.4	Very low	38.5	Very low	129 Å²	129	135.2 Å²	135.2	78%	0.782	76%	0.759	S	S	*	*	S	Bend	trans	-127.3	151.6	-178	-172.7	0	0	0	0	109.2
717	V	35.6	Very low	37.4	Very low	141 Å²	141	134.5 Å²	134.5	86%	0.855	76%	0.764	S	S	*	*			trans	74.6	69.4	-172.7	-162.7	0	0	0	0	114
718	K	30.2	Very low	36.3	Very low	207 Å²	207	135.5 Å²	135.5	90%	0.9	77%	0.773	S	S	*	*			trans	-141.7	75.7	161.6	-96.3	-164.5	175.2	-174.4	0	110.8
719	S	34.5	Very low	35.5	Very low	108 Å²	108	138.9 Å²	138.9	76%	0.755	78%	0.782	S	S	*	*			trans	-179.2	108.7	162.1	51.7	0	0	0	0	112.8
720	T	34.5	Very low	34.6	Very low	145 Å²	145	140.2 Å²	140.2	89%	0.89	79%	0.789	S	S	*	*				175	149.7	119.5	37	0	0	0	0	109.9
721	V	31.2	Very low	33.6	Very low	127 Å²	127	140.1 Å²	140.1	77%	0.77	80%	0.797	S	S	*	*			trans	-149.8	139.7	-163.4	166.1	0	0	0	0	106.8
722	P	35	Very low	33	Very low	131 Å²	131	138.5 Å²	138.5	85%	0.851	80%	0.796	S	S	*	*				-141	174.8	101.1	28.4	-7.3	0	0	0	115.4
723	K	28.9	Very low	32.4	Very low	186 Å²	186	142.8 Å²	142.8	81%	0.809	80%	0.8	S	S	*	*			trans	-116.4	166.4	175.7	-52.8	171.6	179.4	176.6	0	109.2
724	D	35.6	Very low	32.2	Very low	154 Å²	154	144.5 Å²	144.5	82%	0.824	80%	0.802	S	S	*	*			trans	-150.8	176.5	144.2	-104.1	-44.3	0	0	0	111.9
725	N	32.3	Very low	31.8	Very low	148 Å²	148	146.6 Å²	146.6	79%	0.791	80%	0.799	S	S	*	*			trans	-87.5	158.8	-148.8	-68	-43.1	0	0	0	118.4
726	P	33.6	Very low	31.6	Very low	112 Å²	112	151.1 Å²	151.1	73%	0.727	81%	0.808	S	S	*	*			trans	-101.8	155	164	38.9	-31.9	0	0	0	113.5
727	E	28.8	Very low	31.1	Very low	177 Å²	177	149.3 Å²	149.3	83%	0.827	80%	0.799	S	S	*	*			trans	173.5	172.4	137.5	-102.7	179.3	-173.2	0	0	113.3
728	N	31.4	Very low	30.8	Very low	138 Å²	138	150.8 Å²	150.8	74%	0.738	80%	0.8	S	S	*	*			trans	69.2	103.6	159.9	-71.5	-40.4	0	0	0	121.6
729	I	32.8	Very low	30.6	Very low	169 Å²	169	147.4 Å²	147.4	87%	0.867	79%	0.792	S	S	*	*				167.2	146.9	109.9	-87.1	154.3	0	0	0	112
730	P	30.4	Very low	30.3	Very low	107 Å²	107	150.1 Å²	150.1	70%	0.695	80%	0.797	S	S	*	*			trans	-127.1	164	-161.6	41.3	-25.6	0	0	0	118.7
731	C	22.9	Very low	30	Very low	122 Å²	122	148.1 Å²	148.1	82%	0.824	79%	0.789	S	S	*	*			trans	38.5	117.5	146.4	-60.8	0	0	0	0	122.8
732	K	29.6	Very low	30.1	Very low	193 Å²	193	148 Å²	148	84%	0.839	78%	0.784	S	S	*	*				-167.6	120.8	128.4	-104.9	167.5	-179.2	-179.9	0	110.4
733	F	27.5	Very low	29.7	Very low	165 Å²	165	148.2 Å²	148.2	72%	0.724	79%	0.785	S	S	*	*				76	111.8	95.6	-100.2	-95.5	0	0	0	115.9
734	N	32.2	Very low	29.6	Very low	157 Å²	157	147.5 Å²	147.5	84%	0.84	78%	0.782	S	S	*	*				-161.4	154.5	101.2	-93.5	-15.2	0	0	0	111.1
735	Q	27.6	Very low	29.3	Very low	158 Å²	158	148.6 Å²	148.6	74%	0.738	78%	0.782	S	S	*	*			trans	-128.5	152.1	178.5	-64	175.5	-55.5	0	0	109.4
736	H	30.9	Very low	29.1	Very low	199 Å²	199	147.2 Å²	147.2	92%	0.921	78%	0.775	S	S	*	*			trans	-144.7	119.2	144.3	-103	-74.3	0	0	0	109.2
737	P	27.7	Very low	28.7	Very low	92 Å²	92	146.7 Å²	146.7	60%	0.597	77%	0.774	S	S	*	*			trans	-105.7	157.9	178.5	38.1	-32.1	0	0	0	112.6
738	I	30.3	Very low	28.6	Very low	172 Å²	172	143 Å²	143	88%	0.882	77%	0.767	S	S	*	*			trans	-128.4	126.3	151.2	-60.8	-178.1	0	0	0	107.2
739	N	25.4	Very low	28.4	Very low	136 Å²	136	145.6 Å²	145.6	73%	0.727	77%	0.772	S	S	*	*			trans	-100.2	150.1	175.6	-72.8	-54.9	0	0	0	110
740	L	28.2	Very low	28.1	Very low	164 Å²	164	145.4 Å²	145.4	86%	0.859	77%	0.772	S	S	*	*			trans	-156.8	157.8	130.5	-107.5	152.3	0	0	0	109.7
741	S	27.1	Very low	27.7	Very low	104 Å²	104	145.4 Å²	145.4	73%	0.727	77%	0.774	S	S	*	*			trans	-120.9	162.9	-138.2	44.6	0	0	0	0	116.1
742	L	33.3	Very low	27.9	Very low	125 Å²	125	148.5 Å²	148.5	65%	0.654	77%	0.774	S	S	*	*			trans	-71.6	174.3	173.3	-59.7	93.8	0	0	0	111.6	K744	L742-K744 HydrophobicContact CD2-CD 3.95Å; L742-K744 HydrophobicContact CD2-CG 3.77Å
743	P	27	Very low	27.8	Very low	135 Å²	135	146.9 Å²	146.9	88%	0.877	77%	0.773	S	S	*	*				-126.1	137.5	103.8	35	-31.9	0	0	0	114.9
744	K	27.2	Very low	27.6	Very low	171 Å²	171	148.9 Å²	148.9	74%	0.743	78%	0.777	S	S	*	*			trans	-101.7	141.3	160.2	-79.4	168.3	-179.6	167.8	0	108.8	L742	L742-K744 HydrophobicContact CD2-CD 3.95Å; L742-K744 HydrophobicContact CD2-CG 3.77Å
745	Q	29.1	Very low	27.3	Very low	177 Å²	177	149.4 Å²	149.4	83%	0.827	77%	0.772	S	S	*	*			trans	173	148.6	148.9	-99.5	176.4	71.8	0	0	107.2
746	N	28.7	Very low	27.2	Very low	119 Å²	119	148.4 Å²	148.4	64%	0.636	77%	0.772	S	S	*	*			cis	-137.2	139.4	-4.2	-100.6	-52.2	0	0	0	107.4
747	S	25.2	Very low	26.9	Very low	101 Å²	101	144.3 Å²	144.3	71%	0.706	76%	0.763	S	S	*	*				51	135	87.9	91.8	0	0	0	0	114.2
748	S	25.6	Very low	26.8	Very low	99 Å²	99	146.2 Å²	146.2	69%	0.692	77%	0.767	S	S	*	*			cis	-158.5	-175.7	10.6	62.4	0	0	0	0	112.4
749	K	26.7	Very low	26.7	Very low	192 Å²	192	146.6 Å²	146.6	84%	0.835	76%	0.763	S	S	*	*			trans	64.8	104.6	179.4	-56	175.9	-178.5	175.3	0	114.7
750	L	28.4	Very low	26.6	Very low	166 Å²	166	146.7 Å²	146.7	87%	0.869	76%	0.763	S	S	*	*				-161.7	132.8	57.1	-146.7	74.3	0	0	0	111.1
751	S	22.1	Very low	26.4	Very low	106 Å²	106	144.7 Å²	144.7	74%	0.741	76%	0.758	S	S	*	*			trans	-149.2	155.1	167.8	67.2	0	0	0	0	109.8
752	K	25.6	Very low	26.2	Very low	188 Å²	188	150.1 Å²	150.1	82%	0.817	76%	0.764	S	S	*	*			trans	69.8	145.7	-152	-43.6	162.8	-173.8	177.1	0	109.4
753	I	27.4	Very low	25.9	Very low	159 Å²	159	152.2 Å²	152.2	82%	0.815	77%	0.774	S	S	*	*			cis	-130.3	153.5	22.3	-69.6	172.1	0	0	0	112.7
754	Y	24.7	Very low	25.8	Very low	207 Å²	207	151.7 Å²	151.7	81%	0.812	77%	0.769	S	S	*	*			trans	-39.1	160	174	-78.3	-106.3	0	0	0	121.3
755	F	25.1	Very low	25.8	Very low	168 Å²	168	150.1 Å²	150.1	74%	0.737	76%	0.762	S	S	*	*			trans	-20.3	132.1	152.4	-71.7	-103.7	0	0	0	117.8
756	N	24.9	Very low	25.7	Very low	136 Å²	136	147.1 Å²	147.1	73%	0.727	75%	0.748	S	S	*	*				-171.9	129.8	108.2	-108.7	-27.1	0	0	0	112.9
757	P	25.3	Very low	25.6	Very low	114 Å²	114	148.2 Å²	148.2	74%	0.74	76%	0.763	S	S	*	*			trans	-105.2	96.7	169.6	35	-25.7	0	0	0	111.3
758	L	26.6	Very low	25.6	Very low	132 Å²	132	149.9 Å²	149.9	69%	0.691	76%	0.764	S	S	*	*			trans	-139.5	134.7	179.3	-77.7	176.7	0	0	0	113.2
759	F	27.4	Very low	25.8	Very low	179 Å²	179	152.9 Å²	152.9	79%	0.785	77%	0.769	S	S	*	*			trans	54	97.7	160.7	-76.4	-90.7	0	0	0	120.9
760	D	23	Very low	25.9	Very low	138 Å²	138	149 Å²	149	74%	0.738	76%	0.757	S	S	*	*				44.7	152.8	107.8	-99.4	-40.9	0	0	0	123.6
761	T	24.9	Very low	26.1	Very low	123 Å²	123	147.1 Å²	147.1	76%	0.755	75%	0.753	S	S	*	*			trans	76.5	130.1	157.3	42.7	0	0	0	0	122.2
762	Y	23	Very low	26.4	Very low	218 Å²	218	150.4 Å²	150.4	86%	0.855	75%	0.754	S	S	*	*			trans	-22.6	135.9	153.4	-68.8	-107.9	0	0	0	116.6
763	I	26.9	Very low	26.6	Very low	168 Å²	168	147.2 Å²	147.2	86%	0.862	75%	0.75	S	S	*	*				-156.2	145.9	113.2	-81.5	-140.7	0	0	0	108.6
764	T	24.6	Very low	26.7	Very low	124 Å²	124	146.4 Å²	146.4	76%	0.761	75%	0.747	S	S	*	*			trans	-98.8	139.7	171	46.8	0	0	0	0	111.3
765	K	26	Very low	26.9	Very low	138 Å²	138	142.1 Å²	142.1	60%	0.6	75%	0.745	S	S	*	*			trans	-165.8	165.2	140.7	-110.5	178.9	-171.1	-171.7	0	112.3	C938 P939	K765-C938 HydrophobicContact CD-CB 4.46Å; K765-C938 WeakPolarHBondContact CD-SG 3.02Å; K765-C938 WeakPolarHBondContact CE-SG 3.47Å; K765-C938 VanDerWaalsContact CG-SG 3.6Å; K765-P939 PolarHBondContact NZ-O 3.33Å
766	E	28	Very low	27.2	Very low	114 Å²	114	142 Å²	142	53%	0.533	75%	0.751	S	S	.	*			trans	-83.9	161	-171.1	-57.7	156.8	105.1	0	0	112.9	C938	E766-C938 PolarHBondContact OE2-SG 3.48Å
767	C	25.8	Very low	27.1	Very low	142 Å²	142	144.2 Å²	144.2	96%	0.959	76%	0.756	S	S	*	*			trans	-154.7	120.5	136.9	-131.5	0	0	0	0	110
768	L	26.7	Very low	27.3	Very low	136 Å²	136	147.1 Å²	147.1	71%	0.712	76%	0.764	S	S	*	*			trans	-131.7	132.7	-173.3	-156.8	178.8	0	0	0	108.2
769	M	29	Very low	27.1	Very low	163 Å²	163	145.9 Å²	145.9	80%	0.803	77%	0.766	S	S	*	*			trans	-151.3	114.2	160.9	-83.7	-66.8	170.2	0	0	106.1
770	N	28.1	Very low	27.1	Very low	111 Å²	111	142.4 Å²	142.4	59%	0.594	76%	0.764	S	S	*	*				70.6	137.3	84.9	-74.4	-36.9	0	0	0	113
771	T	32.7	Very low	27.2	Very low	126 Å²	126	144.8 Å²	144.8	77%	0.773	77%	0.771	S	S	*	*			cis	-123.2	144.7	39.9	48.5	0	0	0	0	115.2
772	K	28.1	Very low	27.3	Very low	174 Å²	174	144 Å²	144	76%	0.757	77%	0.771	S	S	*	*				45.8	135.2	96.6	-49.8	-176.2	174.5	-177.8	0	114.4
773	T	31	Very low	27.4	Very low	122 Å²	122	139.6 Å²	139.6	75%	0.748	77%	0.766	S	S	*	*			cis	-142.2	-175.3	17.7	48.1	0	0	0	0	110.6
774	N	30	Very low	27.4	Very low	141 Å²	141	139.2 Å²	139.2	75%	0.754	76%	0.764	S	S	*	*			cis	-159	158.7	-38.5	-94.2	12.5	0	0	0	107.9
775	P	29	Very low	27.5	Very low	117 Å²	117	140.4 Å²	140.4	76%	0.76	76%	0.761	S	S	*	*			trans	-111	155.2	178.8	39.3	-31.1	0	0	0	115.2
776	I	30.2	Very low	27.6	Very low	167 Å²	167	140.9 Å²	140.9	86%	0.856	77%	0.765	S	S	*	*			trans	-141.6	138.1	160.2	-66.4	-175.7	0	0	0	108.4
777	E	23	Very low	27.5	Very low	181 Å²	181	142.5 Å²	142.5	85%	0.846	78%	0.778	S	S	*	*			trans	-95.2	157.3	174	-58.3	173.5	124.7	0	0	111.2
778	I	28.5	Very low	27.7	Very low	175 Å²	175	141.6 Å²	141.6	90%	0.897	76%	0.763	S	S	*	*			trans	-165.7	144.7	144.8	-101.2	148.3	0	0	0	109.3
779	S	22.9	Very low	27.7	Very low	106 Å²	106	143.1 Å²	143.1	74%	0.741	76%	0.764	S	S	*	*			trans	-108.4	149.1	-178.2	56.8	0	0	0	0	112.6
780	S	27.9	Very low	28	Very low	107 Å²	107	140.3 Å²	140.3	75%	0.748	76%	0.758	S	S	*	*				170.9	121.3	129.5	54.2	0	0	0	0	115.3
781	Q	24.6	Very low	28.2	Very low	187 Å²	187	142.8 Å²	142.8	87%	0.874	77%	0.766	S	S	*	*				36.6	165.7	126.5	-69	177.2	-28.9	0	0	124.7
782	S	27.8	Very low	28.2	Very low	108 Å²	108	143.8 Å²	143.8	76%	0.755	76%	0.762	S	S	*	*			trans	73.9	125.6	176.9	70.7	0	0	0	0	116.1
783	T	23.8	Very low	28.3	Very low	124 Å²	124	142.3 Å²	142.3	76%	0.761	76%	0.757	S	S	*	*			cis	114.2	120	10.5	55.8	0	0	0	0	112
784	I	27.9	Very low	28.1	Very low	160 Å²	160	144.3 Å²	144.3	82%	0.821	76%	0.758	S	S	*	*			trans	176.3	151.7	137.5	-91.1	153.7	0	0	0	110.7
785	H	27.3	Very low	28	Very low	150 Å²	150	145.7 Å²	145.7	69%	0.694	76%	0.759	S	S	*	*			trans	-26.4	160.8	171.7	-66.5	-118.4	0	0	0	118.7
786	E	27.3	Very low	28.3	Very low	147 Å²	147	148.8 Å²	148.8	69%	0.687	76%	0.763	S	S	*	*			cis	-163.2	147.7	7.7	-125.4	160.5	-149.7	0	0	113.7
787	N	26.4	Very low	28.2	Very low	148 Å²	148	148.4 Å²	148.4	79%	0.791	76%	0.758	S	S	*	*			trans	61.7	-177.4	158	-58.4	-44.3	0	0	0	120.9
788	D	29.7	Very low	28.3	Very low	123 Å²	123	146.1 Å²	146.1	66%	0.658	75%	0.75	S	S	*	*				-146.9	-103.9	-90.1	-168.6	55.2	0	0	0	114.7
789	K	27.7	Very low	28.2	Very low	168 Å²	168	144.4 Å²	144.4	73%	0.73	74%	0.742	S	S	*	*			trans	-146.2	-177.5	-156.5	-70.9	172	-162.6	147.7	0	114
790	P	34.1	Very low	28.4	Very low	105 Å²	105	146.6 Å²	146.6	68%	0.682	75%	0.745	S	S	*	*			cis	-138.7	167.7	0.4	17.5	10.3	0	0	0	119.7
791	H	32.8	Very low	28.5	Very low	162 Å²	162	151 Å²	151	75%	0.75	75%	0.746	S	S	*	*			trans	63.4	128	140	-81.2	-77.8	0	0	0	126.6
792	H	31.9	Very low	28.6	Very low	147 Å²	147	147.4 Å²	147.4	68%	0.681	73%	0.733	S	S	*	*				100.9	120.9	129.8	-87	-56.8	0	0	0	125.1
793	H	29.9	Very low	28.8	Very low	144 Å²	144	150.2 Å²	150.2	67%	0.667	73%	0.734	S	S	*	*			trans	95.4	131.5	136.9	-90.4	-69.2	0	0	0	124.7
794	H	28	Very low	29	Very low	163 Å²	163	151.2 Å²	151.2	76%	0.755	73%	0.731	S	S	*	*			trans	79.7	168.6	153.2	-82.6	-68.9	0	0	0	122.1
795	H	27.2	Very low	28.9	Very low	170 Å²	170	149.6 Å²	149.6	79%	0.787	72%	0.723	S	S	*	*			trans	76.6	118.4	-179.9	-79.1	-86.4	0	0	0	121.2
796	H	34.8	Very low	29	Very low	182 Å²	182	149.7 Å²	149.7	84%	0.843	72%	0.723	S	S	*	*	S	Bend	trans	-62.9	144.7	142.2	-119.9	-104.9	0	0	0	107.8
797	H	28.3	Very low	29	Very low	160 Å²	160	149.1 Å²	149.1	74%	0.741	73%	0.725	S	S	*	*	S	Bend	trans	69.8	131.3	-177	-111.4	-117.2	0	0	0	115.8
798	L	25.9	Very low	29.1	Very low	132 Å²	132	146.3 Å²	146.3	69%	0.691	72%	0.717	S	S	*	*			trans	24.5	131.5	142.8	-86.8	69.3	0	0	0	121.7
799	L	26.5	Very low	28.8	Very low	140 Å²	140	147.9 Å²	147.9	73%	0.733	73%	0.725	S	S	*	*			trans	84.7	100.3	143.4	-59.6	161.7	0	0	0	121
800	L	27	Very low	28.9	Very low	152 Å²	152	148 Å²	148	80%	0.796	73%	0.732	S	S	*	*				58.5	118.7	122.2	-65.5	171.8	0	0	0	123.2
801	Y	29.5	Very low	28.4	Very low	198 Å²	198	151.3 Å²	151.3	78%	0.776	74%	0.736	S	S	*	*			trans	90.1	96.8	130	-123.9	-110.1	0	0	0	123.7
802	N	27.8	Very low	28.2	Very low	113 Å²	113	151 Å²	151	60%	0.604	73%	0.734	S	S	*	*				66.5	148	126.4	-72.1	-13.1	0	0	0	126.5
803	Q	31	Very low	27.8	Very low	166 Å²	166	150.1 Å²	150.1	78%	0.776	74%	0.735	S	S	*	*			trans	71.6	150.9	153.8	-76.1	175.9	-39.4	0	0	120.5
804	Q	28	Very low	27.5	Very low	146 Å²	146	147.6 Å²	147.6	68%	0.682	73%	0.732	S	S	*	*			cis	-168.3	155.9	-32.2	-141.2	178.8	-19.8	0	0	112.1
805	L	25.4	Very low	27.3	Very low	125 Å²	125	145 Å²	145	65%	0.654	73%	0.728	S	S	*	*			trans	72	151.8	149.9	-87.3	160.8	0	0	0	124.1
806	H	30.8	Very low	27.2	Very low	153 Å²	153	143.2 Å²	143.2	71%	0.708	72%	0.724	S	S	*	*			trans	68.6	148	157.3	-71.6	-48.2	0	0	0	121.3
807	N	25.5	Very low	26.7	Very low	134 Å²	134	139.8 Å²	139.8	72%	0.717	71%	0.712	S	S	*	*			cis	-163.9	176.3	-28.8	-148.7	-6.2	0	0	0	112.5
808	S	29	Very low	26.7	Very low	90 Å²	90	140.5 Å²	140.5	63%	0.629	71%	0.713	S	S	*	*			trans	59.3	104.8	149.9	56.1	0	0	0	0	121.5
809	N	24.7	Very low	26.6	Very low	155 Å²	155	141.3 Å²	141.3	83%	0.829	71%	0.714	S	S	*	*				19.6	140.3	116.8	-57.8	-24.3	0	0	0	120.3
810	I	28.9	Very low	26.4	Very low	171 Å²	171	140 Å²	140	88%	0.877	72%	0.717	S	S	*	*				-159	152.2	117.4	-103.2	155.1	0	0	0	110.6
811	K	23.8	Very low	26.3	Very low	175 Å²	175	137.6 Å²	137.6	76%	0.761	71%	0.712	S	S	*	*			trans	-91.6	164.9	179.8	-61.1	174.8	179.3	176.3	0	111.5
812	H	27.7	Very low	26	Very low	154 Å²	154	138.5 Å²	138.5	71%	0.713	72%	0.716	S	S	*	*				163.3	127.5	123.7	-88.3	-60.6	0	0	0	110.2
813	N	24.7	Very low	26.1	Very low	130 Å²	130	141.1 Å²	141.1	70%	0.695	73%	0.729	S	S	*	*				66.5	141	97.5	-66.9	19.4	0	0	0	114.1
814	C	23.1	Very low	25.8	Very low	90 Å²	90	140 Å²	140	61%	0.608	73%	0.728	S	S	*	*			cis	-163.9	150.3	0.9	-117.2	0	0	0	0	113.2
815	T	24.9	Very low	26	Very low	108 Å²	108	137.5 Å²	137.5	66%	0.663	73%	0.725	S	S	*	*			trans	56.4	144.6	136.6	61.9	0	0	0	0	124.8
816	N	24.7	Very low	25.9	Very low	133 Å²	133	137 Å²	137	71%	0.711	73%	0.727	S	S	*	*			trans	69.9	151.7	142	-65.7	6.3	0	0	0	118.6
817	N	24.8	Very low	25.7	Very low	111 Å²	111	139.9 Å²	139.9	59%	0.594	73%	0.732	S	S	*	*			cis	-148.8	153.6	-18.3	-84.6	-21	0	0	0	105.1
818	F	27.4	Very low	25.8	Very low	174 Å²	174	143 Å²	143	76%	0.763	74%	0.735	S	S	*	*				177.1	142.9	73.6	-88.2	-89.7	0	0	0	104.2
819	Q	23.1	Very low	25.6	Very low	149 Å²	149	145.4 Å²	145.4	70%	0.696	74%	0.74	S	S	*	*			cis	100.6	107.8	39.8	-176.1	178.8	-9.3	0	0	113.1
820	S	22.6	Very low	25.6	Very low	114 Å²	114	142.1 Å²	142.1	80%	0.797	73%	0.729	S	S	*	*			trans	65.4	157.6	166.9	77.2	0	0	0	0	116.8
821	S	24.2	Very low	25.4	Very low	101 Å²	101	137.6 Å²	137.6	71%	0.706	71%	0.713	S	S	*	*			cis	-154.7	160.3	19.2	51.6	0	0	0	0	114.2
822	Y	24	Very low	25.4	Very low	216 Å²	216	135.6 Å²	135.6	85%	0.847	70%	0.704	S	S	*	*			trans	7.7	128	151.1	-71.8	-99.4	0	0	0	121.2
823	L	29	Very low	25.3	Very low	169 Å²	169	131.8 Å²	131.8	89%	0.885	70%	0.695	S	S	*	*				-178.8	129	102.7	-97.9	158.5	0	0	0	113.9
824	D	26.1	Very low	25.3	Very low	142 Å²	142	127.8 Å²	127.8	76%	0.759	68%	0.675	S	S	*	*			trans	-104.3	-172.1	159.5	-147.8	12.4	0	0	0	106.1
825	P	31.2	Very low	25.4	Very low	94 Å²	94	129.6 Å²	129.6	61%	0.61	68%	0.676	S	S	*	*			cis	-138.3	179.1	-11.4	43.2	-25.2	0	0	0	115.9
826	T	24.9	Very low	25.4	Very low	115 Å²	115	129.5 Å²	129.5	71%	0.706	67%	0.672	S	S	*	*			trans	22.9	156.3	146.8	65.8	0	0	0	0	124.9
827	R	25.1	Very low	25.6	Very low	212 Å²	212	131 Å²	131	80%	0.8	67%	0.672	S	S	*	*			trans	94.3	145	172.9	-55.9	172.6	-172.8	-169.9	2.2	112.7
828	Y	28.3	Very low	25.6	Very low	199 Å²	199	131.7 Å²	131.7	78%	0.78	68%	0.68	S	S	*	*			cis	-111	159.6	12.3	-78.1	-107.6	0	0	0	110.8
829	L	25.6	Very low	25.8	Very low	141 Å²	141	128.4 Å²	128.4	74%	0.738	68%	0.676	S	S	*	*				53.4	136.4	59.9	-66.2	165.3	0	0	0	112.8
830	S	23.7	Very low	25.9	Very low	87 Å²	87	128.6 Å²	128.6	61%	0.608	68%	0.677	S	S	*	*			cis	-165.1	178.2	-14.7	53.3	0	0	0	0	109.4
831	S	24.3	Very low	26.1	Very low	76 Å²	76	129.7 Å²	129.7	53%	0.531	67%	0.673	S	S	.	*			trans	55.7	107.2	143.1	61.1	0	0	0	0	120.9
832	K	24.8	Very low	26.2	Very low	133 Å²	133	131.5 Å²	131.5	58%	0.578	68%	0.675	S	S	*	*				91.4	148.1	114.8	-67.9	-135.1	162.7	-164	0	123.2	Y1081 E1082	K832-Y1081 HydrophobicContact CD-CD1 4.37Å; K832-Y1081 HydrophobicContact CD-CE1 4.2Å; K832-E1082 WeakPolarHBondContact CA-OE1 3.26Å; K832-E1082 VanDerWaalsContact CB-OE1 3.27Å; K832-E1082 WeakPolarHBondContact CB-OE1 3.33Å; K832-E1082 VanDerWaalsContact CD-OE1 3.27Å; K832-E1082 WeakPolarHBondContact CD-OE1 3.07Å; K832-E1082 HydrophobicContact CG-CB 4.31Å; K832-E1082 HydrophobicContact CG-CG 4.49Å; K832-E1082 WeakPolarHBondContact CG-OE1 3.43Å
833	S	24.3	Very low	26.5	Very low	73 Å²	73	126 Å²	126	51%	0.51	67%	0.666	S	S	.	*			trans	92.9	96.3	156	-52.3	0	0	0	0	120.3	Y1081 E1082	S833-Y1081 PolarHBondContact OG-OH 3.19Å; S833-E1082 PolarHBondContact N-OE1 3.29Å; S833-E1082 PolarHBondContact N-OE2 3.33Å
834	T	25.4	Very low	26.2	Very low	46 Å²	46	126.8 Å²	126.8	28%	0.282	66%	0.662	S	S	.	*			trans	36.3	144.8	132.9	37.2	0	0	0	0	123.8	Q1080 Y1081 E1082	T834-Q1080 HydrophobicContact CG2-CB 3.78Å; T834-Y1081 HydrophobicContact CG2-CD2 3.62Å; T834-Y1081 HydrophobicContact CG2-CE2 3.19Å; T834-Y1081 HydrophobicContact CG2-CG 4.49Å; T834-Y1081 PolarHBondContact OG1-OH 3.11Å; T834-E1082 PolarHBondContact N-OE2 2.92Å
835	M	25.2	Very low	26.2	Very low	128 Å²	128	126.1 Å²	126.1	63%	0.631	66%	0.663	S	S	*	*			trans	68.5	143.2	145	-72.6	-174.6	-170.7	0	0	117.4	Q1080	M835-Q1080 VanDerWaalsContact CA-OE1 3.31Å; M835-Q1080 VanDerWaalsContact CG-OE1 3.28Å
836	N	25.7	Very low	25.9	Very low	106 Å²	106	127 Å²	127	57%	0.567	67%	0.666	S	S	*	*			cis	-158.9	161.7	1.9	-132.7	-40.7	0	0	0	110.4
837	K	27.4	Very low	25.8	Very low	166 Å²	166	127.7 Å²	127.7	72%	0.722	67%	0.666	S	S	*	*			trans	62.9	117.4	157.9	-64.2	163.3	-173.2	175.9	0	116.8
838	T	25.5	Very low	25.8	Very low	124 Å²	124	124.1 Å²	124.1	76%	0.761	66%	0.663	S	S	*	*				66.3	143.8	61.1	74.9	0	0	0	0	114.1
839	P	30.8	Very low	25.6	Very low	106 Å²	106	119.5 Å²	119.5	69%	0.688	66%	0.659	S	S	*	*				-138.5	-145.2	-77.1	32.4	-8.2	0	0	0	111
840	H	26.3	Very low	25.6	Very low	153 Å²	153	120.1 Å²	120.1	71%	0.708	66%	0.658	S	S	*	*			trans	81.6	129.1	155.2	-83.4	-60.9	0	0	0	121.6
841	L	26.1	Very low	25.7	Very low	136 Å²	136	123.7 Å²	123.7	71%	0.712	66%	0.663	S	S	*	*			trans	66.5	150.6	138.6	-55.7	167.2	0	0	0	117.5
842	D	25.8	Very low	25.9	Very low	139 Å²	139	126.2 Å²	126.2	74%	0.743	67%	0.666	S	S	*	*			cis	-151.5	-178.3	-3.7	-123.7	-8.5	0	0	0	110.4
843	P	30.6	Very low	26	Very low	101 Å²	101	127.9 Å²	127.9	66%	0.656	67%	0.673	S	S	*	*			trans	-101.6	-179.8	-161.3	40.7	-41.4	0	0	0	116.8
844	K	24.2	Very low	26.1	Very low	185 Å²	185	133 Å²	133	80%	0.804	69%	0.686	S	S	*	*			trans	100.3	131.1	155.4	-72.4	-177.5	174.1	-178.9	0	118.4
845	V	25	Very low	26.3	Very low	128 Å²	128	137.2 Å²	137.2	78%	0.776	71%	0.707	S	S	*	*			trans	72.9	137.5	142.2	171.8	0	0	0	0	114.3
846	T	24.1	Very low	26.3	Very low	112 Å²	112	136.2 Å²	136.2	69%	0.687	71%	0.712	S	S	*	*			cis	-144	155.7	21.4	-19.5	0	0	0	0	112.7
847	N	23.7	Very low	26.6	Very low	131 Å²	131	134.3 Å²	134.3	70%	0.701	72%	0.718	S	S	*	*			trans	43.1	141	138.3	-71.9	8.2	0	0	0	125.1
848	N	24.2	Very low	26.8	Very low	137 Å²	137	131.8 Å²	131.8	73%	0.733	72%	0.721	S	S	*	*			trans	79.5	131.2	141.9	-66.8	-1.2	0	0	0	121.2
849	S	24.7	Very low	27	Very low	101 Å²	101	130.4 Å²	130.4	71%	0.706	72%	0.716	S	S	*	*			trans	58.6	139.4	148.1	54.9	0	0	0	0	118.9
850	H	26	Very low	27.2	Very low	155 Å²	155	131.4 Å²	131.4	72%	0.718	72%	0.716	S	S	*	*			cis	-167.9	-172.9	-8	-105.9	-45.3	0	0	0	105.9
851	F	25.8	Very low	27.3	Very low	162 Å²	162	132.8 Å²	132.8	71%	0.711	72%	0.72	S	S	*	*			trans	71	130.7	154.8	-59.5	-55.2	0	0	0	117.9
852	H	28.2	Very low	27.5	Very low	129 Å²	129	130.9 Å²	130.9	60%	0.597	71%	0.714	S	S	*	*			cis	-169.1	156.3	-10.6	-137.4	170.3	0	0	0	113.4
853	K	27.3	Very low	27.5	Very low	168 Å²	168	131.2 Å²	131.2	73%	0.73	71%	0.711	S	S	*	*			trans	65	158.2	150.6	-69.7	161.7	178.4	173.3	0	116.2
854	K	26.6	Very low	27.4	Very low	180 Å²	180	134.1 Å²	134.1	78%	0.783	71%	0.714	S	S	*	*			cis	-159.7	160.6	-11.6	-127	-168.7	167.5	-168.1	0	105.1
855	L	29.3	Very low	27.6	Very low	135 Å²	135	131.5 Å²	131.5	71%	0.707	71%	0.707	S	S	*	*			cis	-136.3	152.9	5.4	-77.6	130.5	0	0	0	105.7
856	S	26	Very low	27.5	Very low	106 Å²	106	133.1 Å²	133.1	74%	0.741	71%	0.706	S	S	*	*			cis	99	125.2	31.1	84.5	0	0	0	0	114.6
857	G	30.6	Very low	27.8	Very low	67 Å²	67	133.4 Å²	133.4	69%	0.691	71%	0.713	S	S	*	*			trans	127.9	79.6	177.7	0	0	0	0	0	111.9
858	S	32.9	Very low	27.9	Very low	113 Å²	113	132.7 Å²	132.7	79%	0.79	72%	0.718	S	S	*	*				92.8	135	69.4	63.4	0	0	0	0	113.1
859	S	29.9	Very low	28.6	Very low	95 Å²	95	131.1 Å²	131.1	66%	0.664	72%	0.715	S	S	*	*			cis	174.3	-178.5	-32.1	45.8	0	0	0	0	108.2
860	N	33.5	Very low	28.5	Very low	127 Å²	127	132.6 Å²	132.6	68%	0.679	72%	0.72	S	S	*	*			trans	82.8	141.9	166	-47	0.9	0	0	0	114.7
861	F	28	Very low	28.4	Very low	182 Å²	182	130.5 Å²	130.5	80%	0.798	72%	0.718	S	S	*	*			cis	-165.2	165.8	-9.5	-116.5	174.8	0	0	0	108.4
862	V	31	Very low	28.2	Very low	96 Å²	96	130.4 Å²	130.4	58%	0.582	72%	0.72	S	S	*	*			cis	-151.3	-178	-5.8	66.4	0	0	0	0	107.6
863	E	26.6	Very low	28.1	Very low	145 Å²	145	131.3 Å²	131.3	68%	0.678	73%	0.729	S	S	*	*			trans	-78.6	-169.9	176.4	-49	109.3	131	0	0	113.6
864	F	27.6	Very low	27.9	Very low	162 Å²	162	131 Å²	131	71%	0.711	73%	0.73	S	S	*	*				-157.2	133.5	65.8	-110.7	-114.1	0	0	0	113.1
865	I	27.7	Very low	27.6	Very low	131 Å²	131	129.5 Å²	129.5	67%	0.672	73%	0.729	S	S	*	*				47.1	149.7	127.1	-68	-168.9	0	0	0	120.7
866	E	24.5	Very low	27.3	Very low	162 Å²	162	130.5 Å²	130.5	76%	0.757	74%	0.735	S	S	*	*			cis	176	-164	-26.4	-152.5	174.4	-149.5	0	0	106.2
867	S	29.7	Very low	27.2	Very low	117 Å²	117	130.1 Å²	130.1	82%	0.818	73%	0.731	S	S	*	*			trans	73.8	160.1	170.1	80.4	0	0	0	0	116.9
868	S	25.6	Very low	26.7	Very low	117 Å²	117	133.9 Å²	133.9	82%	0.818	74%	0.735	S	S	*	*			trans	-152.2	-154	-148.9	63.4	0	0	0	0	113.9
869	P	38.2	Very low	26.3	Very low	103 Å²	103	134 Å²	134	67%	0.669	74%	0.736	S	S	*	*			trans	-99.8	177	-130.2	42.4	-31.7	0	0	0	114.9
870	T	23.2	Very low	25.9	Very low	132 Å²	132	137 Å²	137	81%	0.81	74%	0.744	S	S	*	*			trans	164.4	175.5	131.4	38.3	0	0	0	0	112.5
871	V	24.5	Very low	25.3	Very low	112 Å²	112	137 Å²	137	68%	0.679	75%	0.748	S	S	*	*			trans	74.2	103.1	161.1	-164	0	0	0	0	118.9
872	Q	21.9	Very low	25	Very low	159 Å²	159	134.2 Å²	134.2	74%	0.743	75%	0.747	S	S	*	*				19.7	125.8	127.9	-54.7	160.5	-63.1	0	0	117.4
873	N	24.6	Very low	24.7	Very low	149 Å²	149	140.8 Å²	140.8	80%	0.797	76%	0.763	S	S	*	*				-169.6	167.2	81.6	-92.6	-42.3	0	0	0	113.4
874	E	23	Very low	24.5	Very low	160 Å²	160	139.1 Å²	139.1	75%	0.748	77%	0.767	S	S	*	*			trans	-84.5	-162.4	168.3	-57.2	173.8	111.1	0	0	111.3
875	I	22.2	Very low	24.4	Very low	149 Å²	149	134.6 Å²	134.6	76%	0.764	77%	0.766	S	S	*	*			trans	76.3	130.4	161.9	-60.6	154.9	0	0	0	113.9
876	L	22.2	Very low	24.3	Very low	156 Å²	156	135.9 Å²	135.9	82%	0.817	77%	0.774	S	S	*	*			cis	-148.3	-178.6	1.2	-156.4	46.4	0	0	0	112.3
877	C	22.8	Very low	24.4	Very low	98 Å²	98	134.2 Å²	134.2	66%	0.662	77%	0.77	S	S	*	*			trans	-80.6	-175.4	170.1	-56.1	0	0	0	0	114.1
878	D	21.9	Very low	24.3	Very low	146 Å²	146	134.9 Å²	134.9	78%	0.781	77%	0.771	S	S	*	*			trans	78.3	92.5	150.7	-55.4	-32.2	0	0	0	121.4
879	S	23	Very low	24.3	Very low	116 Å²	116	136.7 Å²	136.7	81%	0.811	77%	0.767	S	S	*	*				-159.9	121.7	123.7	-2.3	0	0	0	0	108.2
880	L	21.6	Very low	23.7	Very low	158 Å²	158	142.2 Å²	142.2	83%	0.827	78%	0.78	S	S	*	*				74.3	145.1	63.7	-73.9	169.3	0	0	0	114.9
881	T	22.4	Very low	23.9	Very low	126 Å²	126	140.2 Å²	140.2	77%	0.773	77%	0.772	S	S	*	*			trans	66.1	101.7	174.8	58.8	0	0	0	0	119
882	T	21.1	Very low	24	Very low	125 Å²	125	143.9 Å²	143.9	77%	0.767	78%	0.784	S	S	*	*				7.7	121.6	128.8	51.4	0	0	0	0	118.8
883	Y	23.5	Very low	24.4	Very low	234 Å²	234	142 Å²	142	92%	0.918	78%	0.777	S	S	*	*				-159.2	171	130	-116.7	-76.5	0	0	0	111.8
884	S	23.1	Very low	24.8	Very low	110 Å²	110	140.4 Å²	140.4	77%	0.769	78%	0.775	S	S	*	*			trans	-113.1	152.7	-167	52.9	0	0	0	0	114.7
885	G	25.7	Very low	25.2	Very low	66 Å²	66	139.8 Å²	139.8	68%	0.68	77%	0.773	S	S	*	*			trans	115.4	159.6	165.3	0	0	0	0	0	114.1
886	N	25.3	Very low	25.5	Very low	159 Å²	159	137.9 Å²	137.9	85%	0.85	77%	0.768	S	S	*	*			cis	-177.3	156.5	-24.8	-115.4	-15	0	0	0	105.9
887	L	26.6	Very low	26	Very low	127 Å²	127	137.8 Å²	137.8	67%	0.665	77%	0.767	S	S	*	*			trans	-51.4	176.6	-176.8	-75.2	75.4	0	0	0	116.1	Q889	L887-Q889 HydrophobicContact CD2-CG 3.67Å
888	P	28.3	Very low	26.1	Very low	131 Å²	131	140.9 Å²	140.9	85%	0.851	77%	0.769	S	S	*	*				-116.8	139.5	113.3	33.7	-34.4	0	0	0	113.8
889	Q	25.1	Very low	26.2	Very low	155 Å²	155	143.4 Å²	143.4	72%	0.724	77%	0.767	S	S	*	*			trans	-87.1	156.5	170.2	-68.8	174.4	-32.4	0	0	111	L887	L887-Q889 HydrophobicContact CD2-CG 3.67Å
890	K	26.6	Very low	26.3	Very low	218 Å²	218	144.5 Å²	144.5	95%	0.948	76%	0.763	S	S	*	*			trans	-137.8	149.9	137.9	-113.4	178.5	-178.5	179.6	0	109.4
891	S	25.7	Very low	26.4	Very low	90 Å²	90	143 Å²	143	63%	0.629	76%	0.755	S	S	*	*			trans	-151.8	163.5	-156.5	53.4	0	0	0	0	112
892	M	28.3	Very low	26.5	Very low	190 Å²	190	143.3 Å²	143.3	94%	0.936	75%	0.751	S	S	*	*			trans	-151.2	149.9	139.4	-127.8	171.4	177.1	0	0	110.7
893	I	29.1	Very low	26.8	Very low	119 Å²	119	144 Å²	144	61%	0.61	75%	0.745	S	S	*	*			trans	-143.5	164.5	-175.6	-17.7	176	0	0	0	107	Q895	I893-Q895 HydrophobicContact CG2-CG 4.31Å
894	P	32.4	Very low	26.9	Very low	116 Å²	116	139.4 Å²	139.4	75%	0.753	73%	0.732	S	S	*	*				-136.8	158.6	81.3	28.1	-6.9	0	0	0	112.4
895	Q	31.6	Very low	27.1	Very low	147 Å²	147	139.9 Å²	139.9	69%	0.687	73%	0.726	S	S	*	*				64	141.6	52	-63.3	-164.8	7.3	0	0	112.7	I893	I893-Q895 HydrophobicContact CG2-CG 4.31Å
896	T	29.9	Very low	27.1	Very low	109 Å²	109	143.6 Å²	143.6	67%	0.669	73%	0.73	S	S	*	*			cis	-159.6	172.7	20.2	-18.7	0	0	0	0	112.5
897	I	31.7	Very low	27.7	Very low	154 Å²	154	140.7 Å²	140.7	79%	0.79	72%	0.72	S	S	*	*			trans	73.6	155	151.6	-73.1	157.1	0	0	0	118.2
898	K	25.4	Very low	27.6	Very low	163 Å²	163	140.1 Å²	140.1	71%	0.709	72%	0.718	S	S	*	*			cis	-177.9	153.8	-48.1	-143.2	179	-176.9	169.1	0	107.6
899	R	24.8	Very low	27.5	Very low	199 Å²	199	140.9 Å²	140.9	75%	0.751	71%	0.707	S	S	*	*			trans	75.2	131.9	147.5	-95.5	-177.6	177.7	168.6	-2.2	120.9
900	L	23.3	Very low	27.6	Very low	138 Å²	138	139.5 Å²	139.5	72%	0.723	71%	0.705	S	S	*	*			trans	72	154.2	144.5	-58.6	165.8	0	0	0	118.3
901	I	24.6	Very low	27.7	Very low	126 Å²	126	135.5 Å²	135.5	65%	0.646	69%	0.694	S	S	*	*			cis	-171	161.4	-35	-157.3	173.3	0	0	0	106.3
902	I	25.4	Very low	27.7	Very low	134 Å²	134	136 Å²	136	69%	0.687	69%	0.693	S	S	*	*			trans	68.6	150.7	163.5	-82.3	174.8	0	0	0	113.5
903	Q	25.5	Very low	27.7	Very low	138 Å²	138	132.8 Å²	132.8	65%	0.645	68%	0.68	S	S	*	*			cis	-155.1	162.9	-10.9	-118.5	169.2	-22.3	0	0	108.5
904	Q	25.9	Very low	27.8	Very low	139 Å²	139	134.4 Å²	134.4	65%	0.65	69%	0.685	S	S	*	*			trans	36.8	156.4	135.4	-65.6	173.5	-104.7	0	0	122
905	D	27.1	Very low	27.4	Very low	119 Å²	119	135.5 Å²	135.5	64%	0.636	68%	0.684	S	S	*	*			cis	-157.2	135.3	-10.9	-114.9	-26	0	0	0	111.3
906	N	27.2	Very low	27.2	Very low	144 Å²	144	136.7 Å²	136.7	77%	0.77	69%	0.689	S	S	*	*			trans	56.3	-166.7	134.7	-129.4	-1.8	0	0	0	117.5
907	P	36.5	Very low	27	Very low	99 Å²	99	136.1 Å²	136.1	64%	0.643	69%	0.69	S	S	*	*				-131	-143.9	-127	45.6	-25.3	0	0	0	113.9
908	D	25.8	Very low	26.7	Very low	115 Å²	115	137 Å²	137	62%	0.615	69%	0.693	S	S	*	*			trans	105.3	111	157.2	-90.3	-1.1	0	0	0	120.4
909	K	26.5	Very low	26.7	Very low	146 Å²	146	137.9 Å²	137.9	64%	0.635	70%	0.699	S	S	*	*				75.7	117.9	122.4	-73.4	-179	-178.6	77.7	0	121.7
910	N	26.6	Very low	27.1	Very low	126 Å²	126	133.1 Å²	133.1	67%	0.674	69%	0.694	S	S	*	*				96.1	147.6	115.6	-75.4	8.7	0	0	0	121.4
911	N	27.3	Very low	27.2	Very low	135 Å²	135	131.5 Å²	131.5	72%	0.722	69%	0.694	S	S	*	*			trans	72.5	140.3	147.8	-70	7.6	0	0	0	118.9
912	T	27.3	Very low	27.3	Very low	100 Å²	100	131.9 Å²	131.9	61%	0.613	70%	0.697	S	S	*	*			cis	174.2	171.4	-29.7	27	0	0	0	0	106.8
913	N	28.3	Very low	27.3	Very low	123 Å²	123	133.5 Å²	133.5	66%	0.658	70%	0.699	S	S	*	*			trans	70.7	155.4	159.6	-58.7	-15	0	0	0	116.6
914	H	30.7	Very low	27.6	Very low	152 Å²	152	133.4 Å²	133.4	70%	0.704	70%	0.699	S	S	*	*			cis	-138.5	143.2	-23.5	-90.8	-48.4	0	0	0	105.5
915	L	24.5	Very low	27.6	Very low	140 Å²	140	132.5 Å²	132.5	73%	0.733	70%	0.698	S	S	*	*				72.6	143	72.3	-141.9	78.7	0	0	0	114.9
916	E	26.1	Very low	27.5	Very low	171 Å²	171	134.9 Å²	134.9	80%	0.799	71%	0.709	S	S	*	*			trans	73.3	151.2	169.1	-65.4	163.3	-154.4	0	0	118.7
917	S	25.6	Very low	27.3	Very low	98 Å²	98	132.7 Å²	132.7	69%	0.685	71%	0.705	S	S	*	*			cis	-163.6	156.3	-27.1	59.1	0	0	0	0	113.6
918	M	25.5	Very low	26.9	Very low	173 Å²	173	135.2 Å²	135.2	85%	0.852	71%	0.712	S	S	*	*			trans	39.2	118.1	148.7	-67.1	172.1	173.5	0	0	124.6
919	E	25.7	Very low	26.8	Very low	181 Å²	181	138 Å²	138	85%	0.846	73%	0.727	S	S	*	*				41.6	164.8	116.2	-65	-163.6	147.9	0	0	124
920	P	33.3	Very low	26.6	Very low	99 Å²	99	139 Å²	139	64%	0.643	73%	0.734	S	S	*	*				-144.2	-176.5	-52.3	43.5	-26	0	0	0	115.6
921	S	26.1	Very low	26.6	Very low	103 Å²	103	138 Å²	138	72%	0.72	74%	0.737	S	S	*	*			trans	69	154.2	159.9	67.8	0	0	0	0	118.8
922	L	25.9	Very low	26.5	Very low	134 Å²	134	140 Å²	140	70%	0.702	75%	0.747	S	S	*	*			cis	-146.3	148.7	22.3	-86.6	90.8	0	0	0	113.4
923	F	26.1	Very low	26.4	Very low	168 Å²	168	142 Å²	142	74%	0.737	75%	0.754	S	S	*	*			trans	60.3	155.8	143.2	-73.1	-126.2	0	0	0	119.5
924	H	30.8	Very low	26.3	Very low	137 Å²	137	141.6 Å²	141.6	63%	0.634	76%	0.761	S	S	*	*			cis	-154	149.9	-2.3	-138	8.6	0	0	0	112.5
925	N	26.2	Very low	26	Very low	119 Å²	119	143.5 Å²	143.5	64%	0.636	77%	0.767	S	S	*	*			trans	33.6	121.2	151	-50.5	-16.1	0	0	0	122.9
926	I	26.3	Very low	26	Very low	169 Å²	169	143.7 Å²	143.7	87%	0.867	77%	0.768	S	S	*	*				-176.6	160.3	103.7	-93.3	165.3	0	0	0	110.9
927	S	23	Very low	25.9	Very low	99 Å²	99	141.3 Å²	141.3	69%	0.692	76%	0.76	S	S	*	*			trans	-73.4	143.6	-165.9	55.2	0	0	0	0	117.9
928	I	27	Very low	25.8	Very low	152 Å²	152	138.8 Å²	138.8	78%	0.779	74%	0.742	S	S	*	*				-157.2	134	127.5	-93.2	144.5	0	0	0	106.9
929	N	24.6	Very low	25.9	Very low	173 Å²	173	135.7 Å²	135.7	93%	0.925	73%	0.734	S	S	*	*			trans	-104.1	75.3	-176.7	-90.3	-5.5	0	0	0	112
930	E	22.7	Very low	26	Very low	168 Å²	168	133.7 Å²	133.7	79%	0.785	73%	0.728	S	S	*	*			trans	-128.6	172.8	158.4	-72.6	-157.6	130.8	0	0	109.7
931	S	25.5	Very low	25.8	Very low	105 Å²	105	135.7 Å²	135.7	73%	0.734	73%	0.734	S	S	*	*			trans	46.6	99.1	173.9	55.4	0	0	0	0	116.9
932	N	26.2	Very low	25.9	Very low	176 Å²	176	136.7 Å²	136.7	94%	0.941	73%	0.731	S	S	*	*			trans	-102.7	107.9	153.5	-116	-14.2	0	0	0	108.7
933	D	24.8	Very low	26.1	Very low	141 Å²	141	137.3 Å²	137.3	75%	0.754	73%	0.734	S	S	*	*			trans	-60	151.2	173.3	-82.6	-68.9	0	0	0	112.8
934	S	26.2	Very low	26.2	Very low	116 Å²	116	135.2 Å²	135.2	81%	0.811	73%	0.731	S	S	*	*				178.8	139.8	103.3	38.5	0	0	0	0	112.6
935	K	24	Very low	26	Very low	192 Å²	192	135.6 Å²	135.6	84%	0.835	74%	0.737	S	S	*	*			trans	-97.8	174.6	165	-65.6	172.8	178.3	165.2	0	109.4
936	L	23.6	Very low	26	Very low	144 Å²	144	138.8 Å²	138.8	75%	0.754	75%	0.745	S	S	*	*			trans	80.7	105	158.7	-94.2	69.8	0	0	0	119.8
937	I	24.8	Very low	26.2	Very low	121 Å²	121	135.4 Å²	135.4	62%	0.621	74%	0.735	S	S	*	*				72.8	148.3	111.6	-69.8	-178.5	0	0	0	120.9
938	C	23.1	Very low	26.3	Very low	45 Å²	45	136.1 Å²	136.1	30%	0.304	74%	0.735	S	S	.	*			trans	-57.7	167.6	-178	-59.7	0	0	0	0	117.4	K765 E766	K765-C938 HydrophobicContact CD-CB 4.46Å; K765-C938 WeakPolarHBondContact CD-SG 3.02Å; K765-C938 WeakPolarHBondContact CE-SG 3.47Å; K765-C938 VanDerWaalsContact CG-SG 3.6Å; E766-C938 PolarHBondContact OE2-SG 3.48Å
939	P	27.7	Very low	26.2	Very low	107 Å²	107	135.7 Å²	135.7	70%	0.695	73%	0.734	S	S	*	*				-116.9	171.2	121.9	35	-35.3	0	0	0	113.9	K765	K765-P939 PolarHBondContact NZ-O 3.33Å
940	L	27.3	Very low	26.1	Very low	139 Å²	139	134.5 Å²	134.5	73%	0.728	73%	0.726	S	S	*	*			trans	-114.5	174.9	165.9	-119.6	88	0	0	0	109.2
941	N	30.7	Very low	26.2	Very low	141 Å²	141	133.6 Å²	133.6	75%	0.754	73%	0.727	S	S	*	*				179.9	124.9	128.9	-91.2	6.1	0	0	0	110.7
942	D	27.7	Very low	26.1	Very low	125 Å²	125	134 Å²	134	67%	0.668	73%	0.729	S	S	*	*			trans	44	148.6	133.3	-47	-22.4	0	0	0	121.2
943	L	30.2	Very low	25.9	Very low	146 Å²	146	132.9 Å²	132.9	76%	0.764	72%	0.723	S	S	*	*			cis	-142.1	148.2	28.1	-91.5	87.1	0	0	0	113.7
944	N	26.9	Very low	25.8	Very low	124 Å²	124	131.7 Å²	131.7	66%	0.663	73%	0.725	S	S	*	*				38.7	143.8	129.8	-52	-23.6	0	0	0	120.7
945	L	27.6	Very low	25.6	Very low	145 Å²	145	131 Å²	131	76%	0.759	72%	0.72	S	S	*	*			cis	-152.8	136.7	44.3	-95	93.1	0	0	0	115
946	F	26.4	Very low	25.7	Very low	186 Å²	186	130.5 Å²	130.5	82%	0.816	72%	0.718	S	S	*	*			trans	71.8	150.4	139.8	-76.7	-106.6	0	0	0	121.7
947	P	30.8	Very low	25.7	Very low	99 Å²	99	130.5 Å²	130.5	64%	0.643	72%	0.718	S	S	*	*			trans	-147.1	-153.9	-130.2	42.6	-19.3	0	0	0	117
948	T	25.5	Very low	25.7	Very low	113 Å²	113	129.5 Å²	129.5	69%	0.693	72%	0.722	S	S	*	*			trans	87	113.2	150.9	40.3	0	0	0	0	123
949	N	24.8	Very low	25.8	Very low	143 Å²	143	132 Å²	132	77%	0.765	74%	0.74	S	S	*	*				72.4	92.5	125.2	-61	4.9	0	0	0	122.7
950	I	22.6	Very low	25.6	Very low	148 Å²	148	135.1 Å²	135.1	76%	0.759	75%	0.745	S	S	*	*				8.7	134.8	114.5	-63.4	170.6	0	0	0	118
951	N	22.9	Very low	25.5	Very low	150 Å²	150	134.8 Å²	134.8	80%	0.802	75%	0.752	S	S	*	*			trans	63.1	103.1	160.6	-68.5	-7.7	0	0	0	119.8
952	S	24.3	Very low	25.1	Very low	112 Å²	112	135.4 Å²	135.4	78%	0.783	76%	0.756	S	S	*	*				-168.3	145	110.5	44.8	0	0	0	0	112.8
953	N	22.9	Very low	25	Very low	153 Å²	153	137.5 Å²	137.5	82%	0.818	77%	0.766	S	S	*	*			trans	32.2	169.8	145.7	-64.2	-12.1	0	0	0	124
954	C	21.5	Very low	24.6	Very low	116 Å²	116	135 Å²	135	78%	0.784	76%	0.761	S	S	*	*			trans	72.4	81.2	164.1	-66	0	0	0	0	118.4
955	S	23.3	Very low	24.5	Very low	101 Å²	101	136.4 Å²	136.4	71%	0.706	77%	0.768	S	S	*	*				33	127.7	118.8	55.3	0	0	0	0	120.2
956	K	25.2	Very low	24.3	Very low	183 Å²	183	136.5 Å²	136.5	80%	0.796	77%	0.768	S	S	*	*				-175.2	151.2	102	-98.2	169	-177	176.9	0	112
957	L	24.3	Very low	24.1	Very low	144 Å²	144	134 Å²	134	75%	0.754	76%	0.764	S	S	*	*			trans	43.4	119	153	-79.1	71.9	0	0	0	117.8
958	S	23.6	Very low	23.8	Very low	100 Å²	100	139.5 Å²	139.5	70%	0.699	77%	0.773	S	S	*	*				59.8	139.7	73.6	88.2	0	0	0	0	113.6
959	S	25.9	Very low	23.9	Very low	98 Å²	98	137.5 Å²	137.5	69%	0.685	78%	0.775	S	S	*	*			cis	-155.3	175.4	16	40.7	0	0	0	0	112.8
960	Q	24.2	Very low	23.9	Very low	172 Å²	172	137.9 Å²	137.9	80%	0.804	77%	0.772	S	S	*	*			trans	-36.8	146.2	174.8	-56.1	125.1	-57.4	0	0	116.6
961	C	23.7	Very low	24.1	Very low	131 Å²	131	135.9 Å²	135.9	89%	0.885	77%	0.771	S	S	*	*				-151.8	117.2	124.8	-99	0	0	0	0	110.5
962	N	22.8	Very low	24.1	Very low	155 Å²	155	134.8 Å²	134.8	83%	0.829	77%	0.765	S	S	*	*			trans	-78.5	146.4	158.2	-68.2	-32.9	0	0	0	108.1
963	L	25.6	Very low	24.2	Very low	168 Å²	168	140.2 Å²	140.2	88%	0.88	77%	0.77	S	S	*	*			trans	-156.5	156.6	135.2	-136	70.8	0	0	0	111.4
964	S	21.7	Very low	24.3	Very low	95 Å²	95	139.5 Å²	139.5	66%	0.664	77%	0.765	S	S	*	*			trans	-73.6	157.3	174.5	44.5	0	0	0	0	112.1
965	L	24.5	Very low	24.6	Very low	152 Å²	152	139.3 Å²	139.3	80%	0.796	76%	0.762	S	S	*	*				-162.7	151.9	115.1	-127.7	73.9	0	0	0	114.1
966	L	24	Very low	24.6	Very low	148 Å²	148	144.6 Å²	144.6	78%	0.775	77%	0.768	S	S	*	*			trans	-20.1	164	166.4	-78.1	149.7	0	0	0	122
967	D	21.6	Very low	24.7	Very low	134 Å²	134	140.8 Å²	140.8	72%	0.717	76%	0.764	S	S	*	*			trans	-41.2	151.9	166.6	-59.8	-91	0	0	0	116.2
968	Y	25	Very low	24.8	Very low	213 Å²	213	141.4 Å²	141.4	84%	0.835	77%	0.768	S	S	*	*				-169.5	124.8	106.5	-116.2	-88.6	0	0	0	110.6
969	G	27.6	Very low	25	Very low	71 Å²	71	143.3 Å²	143.3	73%	0.732	77%	0.769	S	S	*	*			trans	-150.7	9.6	-173.7	0	0	0	0	0	116.4	S971	G969-S971 PolarHBondContact O-N 3.15Å
970	Q	24.4	Very low	25	Very low	152 Å²	152	146.2 Å²	146.2	71%	0.71	78%	0.777	S	S	*	*			trans	-62.7	123.9	177.9	-70.2	-176.2	-5.9	0	0	111.5
971	S	26.5	Very low	25.1	Very low	105 Å²	105	143.1 Å²	143.1	73%	0.734	78%	0.775	S	S	*	*			trans	-132.8	98.7	161.3	50.1	0	0	0	0	109.2	G969 Y973	G969-S971 PolarHBondContact O-N 3.15Å; S971-Y973 PolarHBondContact O-N 2.92Å
972	N	23.8	Very low	25.2	Very low	127 Å²	127	145.9 Å²	145.9	68%	0.679	78%	0.775	S	S	*	*			trans	-66.6	119.6	-169.5	-65.9	-20.9	0	0	0	111.9
973	Y	25.9	Very low	25.5	Very low	227 Å²	227	145.7 Å²	145.7	89%	0.89	77%	0.772	S	S	*	*			trans	-122.1	98.8	161.6	-101.5	-85.3	0	0	0	108.9	S971 P975	S971-Y973 PolarHBondContact O-N 2.92Å; Y973-P975 WeakPolarHBondContact O-CD 3.41Å
974	I	24.7	Very low	25.6	Very low	137 Å²	137	144.7 Å²	144.7	70%	0.703	77%	0.767	S	S	*	*			trans	-92.4	115.6	176.5	-59.9	171.2	0	0	0	108.2
975	P	28	Very low	25.6	Very low	112 Å²	112	148.8 Å²	148.8	73%	0.727	78%	0.776	S	S	*	*			trans	-81.5	123.3	167.9	-4.2	23.7	0	0	0	109.3	Y973 S977	Y973-P975 WeakPolarHBondContact O-CD 3.41Å; P975-S977 PolarHBondContact O-N 3Å; P975-S977 VanDerWaalsContact O-N 3.14Å
976	Y	24.3	Very low	25.8	Very low	213 Å²	213	149.4 Å²	149.4	84%	0.835	78%	0.779	S	S	*	*			trans	-70.2	104.2	174.8	-90.5	-104.1	0	0	0	111.3
977	S	27.6	Very low	25.9	Very low	103 Å²	103	147.6 Å²	147.6	72%	0.72	78%	0.775	S	S	*	*			trans	-162.1	52.2	160.1	68.4	0	0	0	0	113.3	P975	P975-S977 PolarHBondContact O-N 3Å; P975-S977 VanDerWaalsContact O-N 3.14Å
978	N	26.1	Very low	26	Very low	156 Å²	156	148.6 Å²	148.6	83%	0.834	78%	0.779	S	S	*	*			trans	-145.7	80.3	167.9	-103.3	7.8	0	0	0	109.3
979	I	26.6	Very low	26.2	Very low	140 Å²	140	144.3 Å²	144.3	72%	0.718	78%	0.775	S	S	*	*			trans	-137.3	149.1	160.9	-57.8	-179.7	0	0	0	104
980	D	25.4	Very low	26.1	Very low	159 Å²	159	147.5 Å²	147.5	85%	0.85	78%	0.775	S	S	*	*	S	Bend	trans	89.2	43.8	-168.7	-51.6	-14.5	0	0	0	115.8
981	S	27.2	Very low	26.4	Very low	108 Å²	108	148 Å²	148	76%	0.755	78%	0.783	S	S	*	*			trans	-155.6	53.9	159.4	72.4	0	0	0	0	113.9
982	E	25.8	Very low	26.4	Very low	189 Å²	189	150.8 Å²	150.8	88%	0.883	79%	0.789	S	S	*	*			trans	-100.3	173.2	156.7	-71.9	-173.5	151.3	0	0	109.5
983	I	28.3	Very low	26.6	Very low	151 Å²	151	150.1 Å²	150.1	77%	0.774	79%	0.791	S	S	*	*	S	Bend	trans	78.7	91.7	-170.4	-51.8	-179.2	0	0	0	113.5
984	N	27.8	Very low	26.4	Very low	146 Å²	146	149.5 Å²	149.5	78%	0.781	79%	0.789	S	S	*	*			trans	86.6	83.8	143.8	-57.3	5.7	0	0	0	119.7
985	Q	23.5	Very low	26.5	Very low	181 Å²	181	154.7 Å²	154.7	85%	0.846	80%	0.799	S	S	*	*				-70.4	-158.7	127.2	-63.7	174.9	-33	0	0	110
986	I	27.6	Very low	26.3	Very low	166 Å²	166	155.7 Å²	155.7	85%	0.851	80%	0.799	S	S	*	*			trans	83.8	132.9	178	-55.8	169.4	0	0	0	111.6
987	P	27.3	Very low	26.6	Very low	109 Å²	109	153 Å²	153	71%	0.708	80%	0.799	S	S	*	*				-121	-176.2	-109.5	42.6	-36.7	0	0	0	115.9	V989	P987-V989 PolarHBondContact O-N 2.81Å
988	I	23.6	Very low	26.5	Very low	156 Å²	156	155.2 Å²	155.2	80%	0.8	80%	0.803	S	S	*	*			trans	-74.3	115.6	172.4	-57.6	171	0	0	0	109.7
989	V	29.3	Very low	26.8	Very low	122 Å²	122	155.1 Å²	155.1	74%	0.739	80%	0.802	S	S	*	*			trans	-133.9	117.6	158.8	-179	0	0	0	0	107.7	P987	P987-V989 PolarHBondContact O-N 2.81Å
990	N	25.4	Very low	26.8	Very low	139 Å²	139	156.9 Å²	156.9	74%	0.743	81%	0.807	S	S	*	*			trans	-83.2	127.4	170.8	-71	-25.7	0	0	0	109.2
991	N	29.6	Very low	27	Very low	163 Å²	163	156 Å²	156	87%	0.872	81%	0.807	S	S	*	*			trans	-166.4	152.5	141.6	-96.5	-30.3	0	0	0	111.6
992	L	26.1	Very low	27	Very low	163 Å²	163	156.2 Å²	156.2	85%	0.853	80%	0.804	S	S	*	*			trans	-93.3	179.2	-179.9	-67.7	135.5	0	0	0	110.4
993	P	27.9	Very low	27.1	Very low	113 Å²	113	154.1 Å²	154.1	73%	0.734	80%	0.799	S	S	*	*			cis	-133.3	178.9	-2.9	26.9	-2.7	0	0	0	116.3
994	Y	21.8	Very low	27.1	Very low	213 Å²	213	155.5 Å²	155.5	84%	0.835	80%	0.804	S	S	*	*			trans	-11.7	133.9	156.9	-82.4	-100.4	0	0	0	120.5
995	R	26.5	Very low	27.1	Very low	246 Å²	246	153.5 Å²	153.5	93%	0.928	80%	0.797	S	S	*	*				-167.5	159.5	105.9	-116.3	179.7	174.8	173.1	-1.6	113.9
996	N	25.5	Very low	27.3	Very low	134 Å²	134	152 Å²	152	72%	0.717	80%	0.795	S	S	*	*			trans	-88	154.5	177.9	-59.6	-10.2	0	0	0	112.1
997	N	30.2	Very low	27.4	Very low	156 Å²	156	148.9 Å²	148.9	83%	0.834	79%	0.787	S	S	*	*				-175.7	166	108.7	-90.8	-5.2	0	0	0	111.9
998	N	26.1	Very low	27.6	Very low	150 Å²	150	150.6 Å²	150.6	80%	0.802	79%	0.789	S	S	*	*			trans	-90.1	163.6	-178.8	-50.4	-43.1	0	0	0	111.7
999	D	30.9	Very low	28	Very low	154 Å²	154	148.7 Å²	148.7	82%	0.824	78%	0.781	S	S	*	*				-173.3	176.4	117	-93.3	-20.1	0	0	0	113
1000	H	27.8	Very low	28.1	Very low	177 Å²	177	150.8 Å²	150.8	82%	0.819	78%	0.782	S	S	*	*			trans	-86.1	167.2	-164.4	-67.7	-98.6	0	0	0	116
1001	V	29.3	Very low	28.2	Very low	139 Å²	139	148.9 Å²	148.9	84%	0.842	78%	0.778	S	S	*	*				171.9	174.5	120.2	156.8	0	0	0	0	111.4
1002	T	26.7	Very low	28.3	Very low	113 Å²	113	149.5 Å²	149.5	69%	0.693	78%	0.776	S	S	*	*			trans	-125.3	159.6	-145.6	54.5	0	0	0	0	118.5
1003	N	27	Very low	28.3	Very low	145 Å²	145	147.4 Å²	147.4	78%	0.775	77%	0.773	S	S	*	*			trans	69.3	131.7	142.8	-69.9	-2.2	0	0	0	124
1004	M	28.9	Very low	28.3	Very low	180 Å²	180	147.2 Å²	147.2	89%	0.887	78%	0.775	S	S	*	*				169.2	128.3	126.4	-88	-177.6	-171.2	0	0	107.9
1005	T	28.9	Very low	28.7	Very low	104 Å²	104	142.6 Å²	142.6	64%	0.638	77%	0.769	S	S	*	*			cis	90.1	118.1	36.3	62.4	0	0	0	0	114.4
1006	D	28	Very low	28.9	Very low	151 Å²	151	139.7 Å²	139.7	81%	0.807	76%	0.763	S	S	*	*			cis	-136.2	-101.2	-4.2	-73.3	-53.5	0	0	0	113.9
1007	C	29.2	Very low	29.1	Very low	99 Å²	99	138.8 Å²	138.8	67%	0.669	76%	0.759	S	S	*	*			cis	-164.6	112.5	0.7	-170.1	0	0	0	0	113.7
1008	L	30.4	Very low	29.1	Very low	146 Å²	146	139.7 Å²	139.7	76%	0.764	76%	0.755	S	S	*	*			trans	64.7	151.3	154.4	-57.5	175.9	0	0	0	120
1009	N	32.3	Very low	29.3	Very low	115 Å²	115	138.9 Å²	138.9	62%	0.615	75%	0.75	S	S	*	*			cis	-160.2	153.5	5.7	-130.6	-22	0	0	0	115.9
1010	H	32.4	Very low	29.2	Very low	167 Å²	167	136.7 Å²	136.7	77%	0.773	74%	0.742	S	S	*	*			trans	64.1	154.6	153.9	-74.6	34.5	0	0	0	122.5
1011	C	27.1	Very low	29.3	Very low	98 Å²	98	135 Å²	135	66%	0.662	74%	0.738	S	S	*	*			cis	-172.9	128.4	-38.3	-160.2	0	0	0	0	111.6
1012	H	31	Very low	29.4	Very low	176 Å²	176	134.9 Å²	134.9	82%	0.815	73%	0.732	S	S	*	*				166	145.8	128.3	-107.3	-88.1	0	0	0	114.1
1013	C	25.6	Very low	29.3	Very low	119 Å²	119	137.9 Å²	137.9	80%	0.804	74%	0.735	S	S	*	*			trans	-131.9	-170.1	-177.1	-58.5	0	0	0	0	112
1014	S	29.4	Very low	29.5	Very low	110 Å²	110	138 Å²	138	77%	0.769	73%	0.731	S	S	*	*			trans	111.7	143.3	171.7	70.9	0	0	0	0	114.1
1015	T	30.3	Very low	29.5	Very low	116 Å²	116	136.1 Å²	136.1	71%	0.712	72%	0.724	S	S	*	*			cis	-170.1	167.3	-17	27.6	0	0	0	0	106.1
1016	F	29.5	Very low	29.3	Very low	184 Å²	184	137.7 Å²	137.7	81%	0.807	73%	0.728	S	S	*	*			cis	-169	-177	-0.5	-116.5	-165.6	0	0	0	106.4
1017	N	29.6	Very low	29.3	Very low	116 Å²	116	137 Å²	137	62%	0.62	72%	0.724	S	S	*	*			cis	174	172.6	-32.1	-172.2	0.1	0	0	0	107.5
1018	K	30	Very low	29.4	Very low	175 Å²	175	139.4 Å²	139.4	76%	0.761	73%	0.73	S	S	*	*			trans	77.3	143.7	174.4	-58.5	-177	172.7	-175.2	0	116.5
1019	I	31	Very low	29.3	Very low	133 Å²	133	136.9 Å²	136.9	68%	0.682	72%	0.724	S	S	*	*			cis	-154.7	112.4	-4.7	-118	165.9	0	0	0	108.5
1020	T	28.4	Very low	29.1	Very low	107 Å²	107	138.6 Å²	138.6	66%	0.656	73%	0.733	S	S	*	*				81.7	141	92.2	60.5	0	0	0	0	119.4
1021	N	29.8	Very low	28.8	Very low	141 Å²	141	136.7 Å²	136.7	75%	0.754	73%	0.727	S	S	*	*			trans	81.8	150.5	159.1	-58.3	-16.1	0	0	0	119.3
1022	I	32	Very low	28.7	Very low	137 Å²	137	142.9 Å²	142.9	70%	0.703	74%	0.737	S	S	*	*			cis	-159.7	125.8	-18.5	-104.2	162	0	0	0	104.7
1023	K	25.7	Very low	28.6	Very low	177 Å²	177	140.6 Å²	140.6	77%	0.77	74%	0.735	S	S	*	*				74.7	146.4	74.9	-151.4	-175	-179.4	-171	0	115.4
1024	H	30.5	Very low	28.7	Very low	148 Å²	148	141.9 Å²	141.9	69%	0.685	73%	0.734	S	S	*	*			trans	81.5	143.8	-175.8	-64.2	-92.3	0	0	0	114.2
1025	L	28.6	Very low	28.8	Very low	140 Å²	140	141.6 Å²	141.6	73%	0.733	73%	0.732	S	S	*	*			cis	-160.6	156.1	-3.3	-101.4	162	0	0	0	105.4
1026	L	25.7	Very low	28.7	Very low	137 Å²	137	142.6 Å²	142.6	72%	0.717	73%	0.733	S	S	*	*			cis	68.1	128.4	18.7	-53.2	-179.8	0	0	0	115.2
1027	D	26.2	Very low	28.8	Very low	136 Å²	136	139.9 Å²	139.9	73%	0.727	73%	0.727	S	S	*	*			cis	-151.8	169.6	-4.1	-100.7	-43.7	0	0	0	108.1
1028	D	31.6	Very low	28.9	Very low	149 Å²	149	140.5 Å²	140.5	80%	0.797	73%	0.73	S	S	*	*			trans	162.6	129.8	149.4	-92.3	-40.2	0	0	0	110.2
1029	S	29.5	Very low	29.1	Very low	93 Å²	93	139.5 Å²	139.5	65%	0.65	73%	0.728	S	S	*	*			cis	89.9	145.5	47.9	93.4	0	0	0	0	112.8
1030	L	26.9	Very low	29.1	Very low	152 Å²	152	137.6 Å²	137.6	80%	0.796	73%	0.725	S	S	*	*			cis	-167.4	-173.1	-19.9	-123.4	171.5	0	0	0	109.8
1031	I	26.9	Very low	29.2	Very low	127 Å²	127	139.5 Å²	139.5	65%	0.651	73%	0.726	S	S	*	*			trans	75.2	107.9	150.6	-71.5	154.2	0	0	0	121.2
1032	W	25.3	Very low	29.2	Very low	228 Å²	228	139.3 Å²	139.3	86%	0.864	72%	0.72	S	S	*	*				63.8	169.6	127.4	-69.2	5.3	0	0	0	122.4
1033	T	28.5	Very low	29	Very low	128 Å²	128	139.3 Å²	139.3	79%	0.785	72%	0.717	S	S	*	*			cis	-144.3	-179.4	13.6	-24.5	0	0	0	0	113.8
1034	N	27.8	Very low	29	Very low	145 Å²	145	136.7 Å²	136.7	78%	0.775	71%	0.707	S	S	*	*			trans	-98.8	-176.7	-168	-124.2	-10.7	0	0	0	115.1
1035	S	30.2	Very low	28.8	Very low	105 Å²	105	138.4 Å²	138.4	73%	0.734	71%	0.709	S	S	*	*			trans	99.2	149.2	152.8	85.4	0	0	0	0	118.9
1036	N	28.4	Very low	28.6	Very low	136 Å²	136	137.6 Å²	137.6	73%	0.727	71%	0.71	S	S	*	*			cis	-173.3	162.8	-32.8	-111.3	6.4	0	0	0	111.2
1037	N	32.3	Very low	28.7	Very low	127 Å²	127	139.1 Å²	139.1	68%	0.679	72%	0.716	S	S	*	*			trans	119.2	123.7	141.8	-68.1	-30.3	0	0	0	120
1038	N	31.7	Very low	28.6	Very low	129 Å²	129	139.9 Å²	139.9	69%	0.69	72%	0.719	S	S	*	*			trans	66.1	142.8	137.8	-58.1	-6.6	0	0	0	119.9
1039	H	33.1	Very low	28.4	Very low	154 Å²	154	139.3 Å²	139.3	71%	0.713	72%	0.721	S	S	*	*			cis	-179	-178	-20.5	-117.7	-43.8	0	0	0	106.3
1040	P	32.7	Very low	28.2	Very low	94 Å²	94	139.7 Å²	139.7	61%	0.61	72%	0.724	S	S	*	*			cis	-133.1	157.1	-31.6	34.1	-16.4	0	0	0	115.4
1041	H	28.9	Very low	28.5	Very low	147 Å²	147	137.4 Å²	137.4	68%	0.681	72%	0.718	S	S	*	*			trans	54.8	159.6	144.9	-65.1	-52.7	0	0	0	122.4
1042	H	30.4	Very low	28.3	Very low	137 Å²	137	138.5 Å²	138.5	63%	0.634	73%	0.725	S	S	*	*			cis	-130.1	133.7	-2.1	-99	-72	0	0	0	108.4
1043	Q	27.2	Very low	28.2	Very low	136 Å²	136	134.7 Å²	134.7	64%	0.636	72%	0.721	S	S	*	*				53.4	134.2	104.8	-75	178.3	-21.1	0	0	116.1
1044	H	27	Very low	28	Very low	122 Å²	122	134.2 Å²	134.2	57%	0.565	72%	0.723	S	S	*	*			cis	-152.7	172.4	5.7	-104.5	-63	0	0	0	107.7
1045	Y	26.4	Very low	27.9	Very low	185 Å²	185	134.4 Å²	134.4	73%	0.725	72%	0.723	S	S	*	*			cis	-152.9	139.8	4.5	-129.4	-52.9	0	0	0	108.7
1046	T	23.9	Very low	27.7	Very low	123 Å²	123	133.9 Å²	133.9	76%	0.755	72%	0.719	S	S	*	*			trans	-153.4	147.8	171.6	54.1	0	0	0	0	112
1047	M	28.1	Very low	27.7	Very low	169 Å²	169	135.3 Å²	135.3	83%	0.833	72%	0.721	S	S	*	*			trans	-160.5	131.5	153.4	-67.1	-163.9	-177.7	0	0	106.6
1048	N	24.5	Very low	27.4	Very low	151 Å²	151	135.4 Å²	135.4	81%	0.807	72%	0.722	S	S	*	*			cis	59.6	109.4	3.5	-87.8	3.4	0	0	0	117.1
1049	T	27.2	Very low	27.3	Very low	137 Å²	137	140.9 Å²	140.9	84%	0.84	74%	0.735	S	S	*	*			trans	-164	150.5	144.8	2.6	0	0	0	0	112.9
1050	S	24.5	Very low	26.9	Very low	102 Å²	102	137.8 Å²	137.8	71%	0.713	73%	0.729	S	S	*	*			trans	-145.5	178.1	161	67.9	0	0	0	0	105.5
1051	P	33.3	Very low	26.8	Very low	103 Å²	103	140.2 Å²	140.2	67%	0.669	73%	0.733	S	S	*	*			cis	-125.7	-157.4	-27.1	32.4	-11.5	0	0	0	110.6
1052	L	23.7	Very low	26.9	Very low	150 Å²	150	140.5 Å²	140.5	79%	0.785	73%	0.734	S	S	*	*			trans	76.5	144.2	154	-72.2	165.5	0	0	0	122.2
1053	L	23.2	Very low	26.8	Very low	149 Å²	149	138.7 Å²	138.7	78%	0.78	74%	0.735	S	S	*	*			trans	59	94.1	146.6	-74	162.4	0	0	0	121.4
1054	S	24.2	Very low	26.8	Very low	118 Å²	118	139 Å²	139	83%	0.825	74%	0.741	S	S	*	*				179.6	165.1	128.7	37.2	0	0	0	0	110.9
1055	L	25	Very low	26.9	Very low	148 Å²	148	139.9 Å²	139.9	78%	0.775	75%	0.748	S	S	*	*				-167.5	126.3	-52.4	-136.9	157.5	0	0	0	106.7
1056	S	25	Very low	27.1	Very low	95 Å²	95	138.1 Å²	138.1	66%	0.664	75%	0.746	S	S	*	*			trans	62.3	161.3	176.6	80.8	0	0	0	0	116.5
1057	H	30	Very low	27.3	Very low	165 Å²	165	137.6 Å²	137.6	76%	0.764	74%	0.739	S	S	*	*			cis	-113.1	134.9	-11.3	-76.8	74.3	0	0	0	108.9
1058	N	26	Very low	27.6	Very low	130 Å²	130	137.1 Å²	137.1	70%	0.695	73%	0.734	S	S	*	*				60.2	91.8	77.3	-109.9	3.8	0	0	0	114.6
1059	Y	28.9	Very low	27.8	Very low	244 Å²	244	134.8 Å²	134.8	96%	0.957	73%	0.729	S	S	*	*			trans	-126.8	124.8	132.4	-106.4	-81.6	0	0	0	109.4
1060	C	25.9	Very low	28	Very low	89 Å²	89	135 Å²	135	60%	0.601	73%	0.725	S	S	*	*			trans	-92.5	166.1	-176.5	-115.5	0	0	0	0	109.2
1061	Q	30.6	Very low	28.4	Very low	145 Å²	145	139.7 Å²	139.7	68%	0.678	74%	0.735	S	S	*	*			cis	-168	-169.8	-0.3	-150.1	176.3	13.2	0	0	109.6
1062	Q	30.8	Very low	28	Very low	153 Å²	153	145 Å²	145	72%	0.715	74%	0.742	S	S	*	*			trans	72.7	141.9	152.1	-67.3	152.5	28.7	0	0	117
1063	C	27	Very low	28.3	Very low	98 Å²	98	143.9 Å²	143.9	66%	0.662	74%	0.737	S	S	*	*			cis	-146	138	-4.2	-107.8	0	0	0	0	108.6
1064	L	27.8	Very low	28.5	Very low	144 Å²	144	144.5 Å²	144.5	75%	0.754	74%	0.736	S	S	*	*				63.4	147.5	85.2	-87.8	87.6	0	0	0	115.3
1065	I	28.2	Very low	28.7	Very low	139 Å²	139	146.3 Å²	146.3	71%	0.713	73%	0.734	S	S	*	*			cis	-175	165	-18.4	-130.8	-173.3	0	0	0	107.4
1066	H	30.9	Very low	28.7	Very low	148 Å²	148	143.9 Å²	143.9	69%	0.685	73%	0.73	S	S	*	*			cis	-157.6	-175.9	-11.3	-158	-90.6	0	0	0	106.8
1067	N	29.3	Very low	28.8	Very low	113 Å²	113	148 Å²	148	60%	0.604	74%	0.738	S	S	*	*			trans	73.6	150.8	156.7	-75	-16.9	0	0	0	119.9
1068	H	34	Very low	28.7	Very low	159 Å²	159	147.2 Å²	147.2	74%	0.736	74%	0.738	S	S	*	*			cis	-144.7	165.5	6.6	-106.9	-50	0	0	0	109.4
1069	C	29.2	Very low	28.8	Very low	102 Å²	102	147.9 Å²	147.9	69%	0.689	74%	0.742	S	S	*	*			cis	-146.4	-119.6	-9	-167.3	0	0	0	0	109.7
1070	N	29.7	Very low	28.7	Very low	141 Å²	141	140.7 Å²	140.7	75%	0.754	72%	0.717	S	S	*	*			trans	-147.4	154.7	-179.5	-83.3	-57.5	0	0	0	112.4
1071	H	33.5	Very low	28.9	Very low	201 Å²	201	143.1 Å²	143.1	93%	0.931	71%	0.714	S	S	*	*			trans	-124.4	135.1	137.2	-130.4	-87.1	0	0	0	107.9
1072	R	26.1	Very low	28.8	Very low	214 Å²	214	138.9 Å²	138.9	81%	0.808	70%	0.695	S	S	*	*			trans	-129.8	130.3	-166.8	-173.2	-168.4	-159.4	-171.3	7.5	109.1
1073	N	29.9	Very low	28.7	Very low	127 Å²	127	138.6 Å²	138.6	68%	0.679	70%	0.698	S	S	*	*			trans	178.7	137.4	138.5	-93.5	-14.6	0	0	0	111.9
1074	Q	27.4	Very low	28.7	Very low	162 Å²	162	137.3 Å²	137.3	76%	0.757	69%	0.69	S	S	*	*			trans	54.7	136.8	139.7	-60.3	172.2	-16.7	0	0	119.6
1075	I	27.8	Very low	28.8	Very low	155 Å²	155	142.3 Å²	142.3	80%	0.795	70%	0.699	S	S	*	*			cis	-147.4	152.1	-3	-111.6	156.4	0	0	0	108.4
1076	S	25.3	Very low	28.8	Very low	98 Å²	98	143.2 Å²	143.2	69%	0.685	71%	0.705	S	S	*	*			trans	-115.9	132.8	166.9	56.2	0	0	0	0	109.3
1077	Q	26.5	Very low	28.7	Very low	181 Å²	181	141.1 Å²	141.1	85%	0.846	71%	0.708	S	S	*	*			trans	153.5	173.8	150	-88.4	170.3	-3.4	0	0	112.4
1078	I	28.8	Very low	28.6	Very low	148 Å²	148	140.4 Å²	140.4	76%	0.759	71%	0.712	S	S	*	*			trans	81.3	85.1	164.7	-44.5	-170.3	0	0	0	115.9
1079	D	27.1	Very low	28.5	Very low	144 Å²	144	140.8 Å²	140.8	77%	0.77	72%	0.717	S	S	*	*			trans	-62.2	151.3	139.7	-81.5	-64.8	0	0	0	110.6
1080	Q	27.1	Very low	28.3	Very low	93 Å²	93	144.4 Å²	144.4	44%	0.435	72%	0.724	S	S	.	*			trans	66	116	165.5	-61	166.5	-28.2	0	0	118.1	T834 M835	T834-Q1080 HydrophobicContact CG2-CB 3.78Å; M835-Q1080 VanDerWaalsContact CA-OE1 3.31Å; M835-Q1080 VanDerWaalsContact CG-OE1 3.28Å
1081	Y	29.5	Very low	28.5	Very low	140 Å²	140	142.8 Å²	142.8	55%	0.549	72%	0.721	S	S	.	*				-164.9	158.5	127.9	-114.9	-77.1	0	0	0	110.2	K832 S833 T834	K832-Y1081 HydrophobicContact CD-CD1 4.37Å; K832-Y1081 HydrophobicContact CD-CE1 4.2Å; S833-Y1081 PolarHBondContact OG-OH 3.19Å; T834-Y1081 HydrophobicContact CG2-CD2 3.62Å; T834-Y1081 HydrophobicContact CG2-CE2 3.19Å; T834-Y1081 HydrophobicContact CG2-CG 4.49Å; T834-Y1081 PolarHBondContact OG1-OH 3.11Å
1082	E	29.3	Very low	28.3	Very low	56 Å²	56	140.8 Å²	140.8	26%	0.262	71%	0.712	S	S	.	*			trans	-85.9	149.9	-150.7	-64	80.6	48.2	0	0	119.2	K832 S833 T834	K832-E1082 WeakPolarHBondContact CA-OE1 3.26Å; K832-E1082 VanDerWaalsContact CB-OE1 3.27Å; K832-E1082 WeakPolarHBondContact CB-OE1 3.33Å; K832-E1082 VanDerWaalsContact CD-OE1 3.27Å; K832-E1082 WeakPolarHBondContact CD-OE1 3.07Å; K832-E1082 HydrophobicContact CG-CB 4.31Å; K832-E1082 HydrophobicContact CG-CG 4.49Å; K832-E1082 WeakPolarHBondContact CG-OE1 3.43Å; S833-E1082 PolarHBondContact N-OE1 3.29Å; S833-E1082 PolarHBondContact N-OE2 3.33Å; T834-E1082 PolarHBondContact N-OE2 2.92Å
1083	D	28.2	Very low	28.5	Very low	148 Å²	148	138.1 Å²	138.1	79%	0.791	71%	0.707	S	S	*	*				34.5	149.8	106.8	-138.6	-6	0	0	0	120.9
1084	S	26.5	Very low	28.5	Very low	71 Å²	71	138.2 Å²	138.2	50%	0.497	71%	0.707	S	S	.	*			trans	68.3	100.4	174.2	72.7	0	0	0	0	118.6
1085	R	30.4	Very low	28.4	Very low	248 Å²	248	135.3 Å²	135.3	94%	0.936	70%	0.704	S	S	*	*				-168.8	106.4	109.5	-98.8	168.6	-159.2	-158.1	3.9	111.2
1086	N	29.1	Very low	28.3	Very low	158 Å²	158	135.8 Å²	135.8	85%	0.845	71%	0.705	S	S	*	*			trans	-71.6	145.6	158.9	-82.4	-21.2	0	0	0	109.5
1087	S	28.1	Very low	28.5	Very low	105 Å²	105	137.6 Å²	137.6	73%	0.734	71%	0.713	S	S	*	*				150.3	160.7	107	63.5	0	0	0	0	114.2
1088	S	27.6	Very low	28.6	Very low	98 Å²	98	136 Å²	136	69%	0.685	71%	0.71	S	S	*	*			trans	98.9	120.3	144.7	-55.4	0	0	0	0	119.5
1089	I	30.6	Very low	28.7	Very low	166 Å²	166	135.5 Å²	135.5	85%	0.851	71%	0.714	S	S	*	*			trans	87.6	86.8	148.9	-57.9	155.4	0	0	0	117.7
1090	Q	26.7	Very low	28.9	Very low	179 Å²	179	133.2 Å²	133.2	84%	0.836	71%	0.709	S	S	*	*			trans	-71	177.7	139.5	-97.2	-173.7	-28.6	0	0	111.1
1091	P	32.7	Very low	29.1	Very low	106 Å²	106	135.4 Å²	135.4	69%	0.688	72%	0.724	S	S	*	*			cis	-127.1	-158.6	-20.4	34.3	-14	0	0	0	110.9
1092	E	29.8	Very low	29.4	Very low	159 Å²	159	133.5 Å²	133.5	74%	0.743	73%	0.731	S	S	*	*				174.2	144.3	117.8	-87.4	-148.8	138.7	0	0	115.4
1093	F	30.8	Very low	29.5	Very low	159 Å²	159	141.2 Å²	141.2	70%	0.697	78%	0.782	S	S	*	*			trans	35.7	112.2	150.7	-73.1	-98.4	0	0	0	125.2
1094	N	29.6	Very low	29.6	Very low	129 Å²	129	140.9 Å²	140.9	69%	0.69	78%	0.782	S	S	*	*				52.9	110.1	110.3	-60.9	-1.3	0	0	0	123.4
1095	S	24.9	Very low	29.7	Very low	100 Å²	100	144.6 Å²	144.6	70%	0.699	80%	0.797	S	S	*	*				80.5	153.9	114.4	80.1	0	0	0	0	124.1
1096	M	24.8	Very low	29.7	Very low	165 Å²	165	138.8 Å²	138.8	81%	0.813	79%	0.789	S	S	*	*			trans	72.7	112.1	161.7	-54.3	-167.5	-167.7	0	0	121
1097	T	30.6	Very low	29.7	Very low	137 Å²	137	137.7 Å²	137.7	84%	0.84	79%	0.786	S	S	*	*				158.8	114.9	121.6	39.6	0	0	0	0	108.4
1098	N	27.9	Very low	29.8	Very low	148 Å²	148	139.8 Å²	139.8	79%	0.791	79%	0.789	S	S	*	*				64.8	129.2	68.6	-88.6	4.8	0	0	0	116.1
1099	T	30.7	Very low	30	Very low	136 Å²	136	142.5 Å²	142.5	83%	0.834	80%	0.796	S	S	*	*			trans	60.7	139.6	167.5	50.6	0	0	0	0	117.2
1100	S	31.4	Very low	29.9	Very low	97 Å²	97	140.9 Å²	140.9	68%	0.678	79%	0.792	S	S	*	*			cis	-158.6	-157.1	-11.2	49.5	0	0	0	0	107.6
1101	D	31.7	Very low	30.2	Very low	139 Å²	139	137.9 Å²	137.9	74%	0.743	79%	0.789	S	S	*	*			cis	-165.5	-178.2	11.8	-139.7	-60.5	0	0	0	111.9
1102	S	36.4	Very low	30	Very low	100 Å²	100	140.6 Å²	140.6	70%	0.699	80%	0.797	S	S	*	*			trans	77.8	122.7	163.1	70.4	0	0	0	0	121
1103	T	31.5	Very low	30	Very low	218 Å²	218	138.9 Å²	138.9	100%	1.337	80%	0.802	S	S	*	*			trans	56.6	0	174.3	65.3	0	0	0	0	118.3

Retrieved 1,103 of 1,103 residues in 360.1 ms (Link to these results)

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