A0A087XMP5_POEFO Loading...

SID1 transmembrane family member 2

AlphaFold DB , UniProt , Accession A0A087XMP5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 875 aa.

						>A0A087XMP5_POEFO|A0A087XMP5
MVLRSYWKCRLKSSCFPAPRWIRPGLAALFWFCVTQLVCGAGALGENKFVRQKNAEFDVTYNDTVKSYNQTIYAFNHTISRNKTEGVRVTVDVMQQHLESPILFVIRQKQAVMSFQVPLILRGLYQRKYPYKHVGRTLCQPPTRAASETQYFFVDVSTLSSQETNFQLRVSRVESFTLQTDRKFSFAASPSQPQFFKYVFPDGVDTVIVKVNSDVNFPCSVMSVQDIQCPVYDLDNNVAFIGMYQTMTKKGAITVQRKDFPSNSFYVVVVVKTEDEACGGPLRFYPLQPDELIDAGNRTKDLDVVVSPAINSEKYVIGMLFCLGIFLSFYVLTLLVACVENKRMKRREMFPNPPDTSPAETASLLGKNGDGKTPASPYEYGSFADNGSTLSSEAITDSATSTDNNYGYLGQEPFKRRPFLNHLHHLAIRIERSLDSVARSRQESLSSVEEDDYDTLEDIDSDKNIVRTKKYLCVSDLARKDKRILSKKYQIYFWNIATIAVFYALPVIQLVITYQTVVNVTGNQDICYYNFLCAHPLGALSAFNNILSNLGYVMLGLLFLLIVFKRDVTHSRALLRNDLNALECGIPKHFGVYYAMGTALMMEGLLSACYHVCPNYTNFQFDTSFMYMIAGLCMLKLYQKRHPDINASAYTAYACLAAVIFFSVLGVVFGRGNMVFWIVFSVIHILATLLLSTQLYYMGRWRLDAGIMRRIVYVIYTDCIRQCSGPMYIDRMVLLVMGNIVNWSLAAYGLIERPNDFASYLLAIAICNLLLYFAFYIIMKLRSGERIKCLPVVCILFTAVVWGFALYFFFQGLSTWQKTPAESREHNRDCILLSFFDDHDIWHFLSSIAMFGSFLVLLTMDDDLDTVQRDKIYVF
					

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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	31.5	Very low	28.7	Very low	234 Å²	234	182.3 Å²	182.3	100%	1.153	85%	0.852	S	S	*	*				0	125.2	0	-69.2	155.6	174.2	0	0	106.5
2	V	26.8	Very low	28.7	Very low	134 Å²	134	184.8 Å²	184.8	81%	0.812	86%	0.858	S	S	*	*			cis	68.7	122.1	40.3	-174.3	0	0	0	0	109.6
3	L	28.5	Very low	28.9	Very low	150 Å²	150	179.5 Å²	179.5	79%	0.785	86%	0.855	S	S	*	*			cis	-145.6	150.3	18.1	-148.6	152.4	0	0	0	111.8
4	R	24.4	Very low	28.8	Very low	239 Å²	239	175.6 Å²	175.6	90%	0.902	86%	0.856	S	S	*	*			trans	-150.4	119.8	158.9	-157.1	178	-168	-176.1	5.3	111.2
5	S	31	Very low	28.8	Very low	89 Å²	89	170.8 Å²	170.8	62%	0.622	85%	0.845	S	S	*	*			trans	-84.3	138.9	169.3	29.4	0	0	0	0	110
6	Y	29.1	Very low	28.6	Very low	205 Å²	205	171.6 Å²	171.6	80%	0.804	84%	0.843	S	S	*	*				57.6	133.7	71	-77.1	-88.9	0	0	0	112.5
7	W	25.8	Very low	29.6	Very low	230 Å²	230	168.1 Å²	168.1	87%	0.871	84%	0.836	S	S	*	*			cis	-129.7	162.1	38.4	-86.4	62.3	0	0	0	116.4
8	K	28.4	Very low	29.5	Very low	198 Å²	198	164.1 Å²	164.1	86%	0.861	83%	0.833	S	S	*	*			trans	-157.1	124	170.5	-160.2	174.3	-168.2	172.4	0	108.9
9	C	25.8	Very low	30	Very low	110 Å²	110	162.3 Å²	162.3	74%	0.743	83%	0.834	S	S	*	*			trans	-112.3	153.9	178.2	-74.1	0	0	0	0	112.1
10	R	29.4	Very low	30	Very low	245 Å²	245	165.1 Å²	165.1	93%	0.925	83%	0.834	S	S	*	*			trans	-143.4	148	-174.2	-140.6	-178.6	-165.1	-170.2	4.2	109.5
11	L	35.5	Very low	30	Very low	171 Å²	171	169.9 Å²	169.9	90%	0.895	84%	0.842	S	S	*	*			trans	-60.7	148.1	179.4	-82.4	66.7	0	0	0	112.7
12	K	27.8	Very low	30	Very low	213 Å²	213	164.8 Å²	164.8	93%	0.926	82%	0.818	S	S	*	*			trans	-151.8	154.7	142.5	-133.1	178.2	-177.5	-175.5	0	111
13	S	32.3	Very low	30.5	Very low	116 Å²	116	169.4 Å²	169.4	81%	0.811	82%	0.821	S	S	*	*			trans	-114	157.2	-174	49.7	0	0	0	0	112.7
14	S	26.9	Very low	31.2	Very low	125 Å²	125	168.6 Å²	168.6	87%	0.874	82%	0.824	S	S	*	*			trans	-148.3	165.7	170.3	53.5	0	0	0	0	110.1
15	C	28.2	Very low	31.7	Very low	103 Å²	103	160.3 Å²	160.3	70%	0.696	81%	0.813	S	S	*	*			trans	-150.5	166.7	-166.9	-163.2	0	0	0	0	112.9
16	F	26.2	Very low	32.4	Very low	184 Å²	184	165 Å²	165	81%	0.807	83%	0.831	S	S	*	*			trans	76.6	156.7	173	-54.4	-75.1	0	0	0	117.4
17	P	45.1	Very low	33	Very low	111 Å²	111	159.5 Å²	159.5	72%	0.721	83%	0.827	S	S	*	*				-143.8	161.8	-50.5	39.8	-24.5	0	0	0	117
18	A	27.8	Very low	33.8	Very low	96 Å²	96	152.8 Å²	152.8	79%	0.793	82%	0.821	S	S	*	*			trans	69.1	165.5	151.4	0	0	0	0	0	119.3
19	P	39.7	Very low	34.7	Very low	131 Å²	131	150.5 Å²	150.5	85%	0.851	82%	0.817	S	S	*	*			cis	-122.4	-172.7	0.3	42.2	-27.8	0	0	0	116.2
20	R	29.4	Very low	35.5	Very low	217 Å²	217	153.7 Å²	153.7	82%	0.819	82%	0.819	S	S	*	*			trans	-81.9	155.5	-171.7	-56.4	164	170.5	158.6	-6.8	115.1
21	W	29.8	Very low	36.1	Very low	266 Å²	266	152.8 Å²	152.8	100%	1.008	82%	0.816	S	S	*	*			trans	-137.5	170	134.9	-92.9	81	0	0	0	109.5
22	I	32.8	Very low	36.4	Very low	127 Å²	127	152.8 Å²	152.8	65%	0.651	81%	0.809	S	S	*	*			trans	-132.7	118.9	-150.7	-63.3	173.5	0	0	0	115.3
23	R	36.7	Very low	37.2	Very low	232 Å²	232	147.1 Å²	147.1	88%	0.875	80%	0.795	S	S	*	*			trans	52	178.1	154.1	-66	178.3	171.1	-173.2	-3.1	118.4
24	P	43.6	Very low	37.9	Very low	132 Å²	132	146 Å²	146	86%	0.857	78%	0.783	S	S	*	*			cis	-102.2	-165.6	-32.9	10.2	14.3	0	0	0	109.5
25	G	35.5	Very low	38.6	Very low	65 Å²	65	145.1 Å²	145.1	67%	0.67	77%	0.772	S	S	*	*			cis	146.1	137	-6.3	0	0	0	0	0	112.4	A27	G25-A27 PolarHBondContact O-N 3.11Å
26	L	44.3	Very low	39.3	Very low	188 Å²	188	148.3 Å²	148.3	98%	0.984	78%	0.777	S	S	*	*			trans	57.8	45.7	157.9	-66.8	164.6	0	0	0	119.9
27	A	41.2	Very low	40.1	Very low	89 Å²	89	146.8 Å²	146.8	74%	0.736	78%	0.776	S	S	*	*	S	Bend	trans	-125.5	-38	167.1	0	0	0	0	0	115	G25 L29	G25-A27 PolarHBondContact O-N 3.11Å; A27-L29 PolarHBondContact O-N 3.03Å
28	A	44.6	Very low	40	Very low	89 Å²	89	147.9 Å²	147.9	74%	0.736	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-15.3	-166.8	0	0	0	0	0	116.4
29	L	45.3	Very low	40.4	Very low	150 Å²	150	148.5 Å²	148.5	79%	0.785	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-19.9	-171.7	-88.6	162.8	0	0	0	114.9	A27	A27-L29 PolarHBondContact O-N 3.03Å
30	F	44.1	Very low	40.2	Very low	177 Å²	177	146.1 Å²	146.1	78%	0.776	78%	0.777	S	S	*	*	S	Bend	trans	-83.3	-27.3	-176.7	-112.2	-85.1	0	0	0	114
31	W	41.1	Very low	40.5	Very low	227 Å²	227	139.8 Å²	139.8	86%	0.86	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-22.6	-175.3	-109.2	-20.2	0	0	0	114.6
32	F	41.7	Very low	41	Very low	171 Å²	171	130.8 Å²	130.8	75%	0.75	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-13.7	177.7	-108.1	-83.1	0	0	0	114.5
33	C	45.3	Very low	41.3	Very low	93 Å²	93	129.5 Å²	129.5	63%	0.628	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-14.6	-179	-63.2	0	0	0	0	114
34	V	46.9	Very low	41.4	Very low	94 Å²	94	126.2 Å²	126.2	57%	0.57	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-27.8	-172.7	-177.5	0	0	0	0	112.5	Q36 L37	V34-Q36 VanDerWaalsContact C-N 3.33Å; V34-Q36 PolarHBondContact O-N 2.98Å; V34-L37 PolarHBondContact O-N 2.78Å
35	T	41.9	Very low	41.5	Very low	105 Å²	105	122.9 Å²	122.9	64%	0.644	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-12.9	179.8	46.6	0	0	0	0	114.5
36	Q	43.1	Very low	42.4	Very low	170 Å²	170	125.3 Å²	125.3	79%	0.794	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-11.3	173.7	-73.5	-163.5	-24	0	0	114.3	V34	V34-Q36 VanDerWaalsContact C-N 3.33Å; V34-Q36 PolarHBondContact O-N 2.98Å
37	L	42.2	Very low	43.2	Very low	152 Å²	152	122.1 Å²	122.1	80%	0.796	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-8.1	-177.2	-124.5	74.3	0	0	0	114.9	V34	V34-L37 PolarHBondContact O-N 2.78Å
38	V	44	Very low	44.7	Very low	135 Å²	135	125.1 Å²	125.1	82%	0.818	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.9	46.2	-179.5	-160.4	0	0	0	0	111.7
39	C	34.3	Very low	46.6	Very low	109 Å²	109	126.6 Å²	126.6	74%	0.736	72%	0.723	S	S	*	*			trans	-135	33.3	152.5	-151.3	0	0	0	0	111.5	A41	C39-A41 PolarHBondContact O-N 3.21Å
40	G	36.9	Very low	48.6	Very low	80 Å²	80	123.7 Å²	123.7	83%	0.825	71%	0.711	S	S	*	*			trans	-73.3	32.6	168.6	0	0	0	0	0	113.6	G42	G40-G42 PolarHBondContact O-N 3.24Å
41	A	35.9	Very low	50.7	Low	85 Å²	85	123.1 Å²	123.1	70%	0.702	70%	0.703	S	S	*	*			trans	-73.5	119.9	169.4	0	0	0	0	0	107.5	C39 A43	C39-A41 PolarHBondContact O-N 3.21Å; A41-A43 PolarHBondContact O-N 3.12Å
42	G	40.6	Very low	53.1	Low	77 Å²	77	118.3 Å²	118.3	79%	0.794	69%	0.691	S	S	*	*			trans	-59.2	106.9	-161.1	0	0	0	0	0	114.5	G40 L44	G40-G42 PolarHBondContact O-N 3.24Å; G42-L44 PolarHBondContact O-N 3.45Å
43	A	37.1	Very low	55.6	Low	100 Å²	100	113.1 Å²	113.1	83%	0.826	67%	0.668	S	S	*	*			trans	-62.1	104.1	150.4	0	0	0	0	0	107	A41 G45	A41-A43 PolarHBondContact O-N 3.12Å; A43-G45 PolarHBondContact O-N 2.96Å
44	L	40	Very low	57.8	Low	163 Å²	163	115.4 Å²	115.4	85%	0.853	67%	0.674	S	S	*	*			trans	-61.8	108.5	-179.1	-165.7	81.2	0	0	0	108.4	G42 E46	G42-L44 PolarHBondContact O-N 3.45Å; L44-E46 PolarHBondContact O-N 3.45Å
45	G	45.5	Very low	60.1	Low	62 Å²	62	111.1 Å²	111.1	64%	0.639	65%	0.648	S	S	*	*			trans	-65.3	105	179.2	0	0	0	0	0	110.2	A43 N47	A43-G45 PolarHBondContact O-N 2.96Å; G45-N47 PolarHBondContact O-N 3.32Å
46	E	53.4	Low	62.5	Low	116 Å²	116	112.7 Å²	112.7	54%	0.542	65%	0.648	S	S	.	*			trans	-61.1	101	170.8	-71	-161.9	150.6	0	0	108.9	L44 K48	L44-E46 PolarHBondContact O-N 3.45Å; E46-K48 PolarHBondContact O-N 2.88Å
47	N	63	Low	64.9	Low	121 Å²	121	105.4 Å²	105.4	65%	0.647	61%	0.614	S	S	*	*			trans	-58	109.4	173.2	-81.7	-29.6	0	0	0	108.7	G45 F49	G45-N47 PolarHBondContact O-N 3.32Å; N47-F49 HydrophobicContact CB-CE2 4Å; N47-F49 HydrophobicContact CB-CZ 4.01Å; N47-F49 WeakPolarHBondContact O-CD2 3.45Å; N47-F49 WeakPolarHBondContact O-CE2 3.35Å; N47-F49 PolarHBondContact O-N 3.49Å
48	K	72.8	Confident	67.2	Low	151 Å²	151	101 Å²	101	66%	0.657	59%	0.591	S	S	*	*			trans	-76.6	114.6	177.4	-64.9	-161.4	175	-163.6	0	109.7	E46 Y68	E46-K48 PolarHBondContact O-N 2.88Å; K48-Y68 CarbonylContact C-O 3.55Å; K48-Y68 WeakPolarHBondContact CA-O 3.3Å
49	F	83.4	Confident	69.6	Low	121 Å²	121	97.3 Å²	97.3	53%	0.531	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.2	130	177.8	-63.1	-83.3	0	0	0	109.9	N47 Y68 N69 Q70	N47-F49 HydrophobicContact CB-CE2 4Å; N47-F49 HydrophobicContact CB-CZ 4.01Å; N47-F49 WeakPolarHBondContact O-CD2 3.45Å; N47-F49 WeakPolarHBondContact O-CE2 3.35Å; N47-F49 PolarHBondContact O-N 3.49Å; F49-Y68 HydrophobicContact CD2-CD2 4.29Å; F49-Y68 PolarHBondContact N-O 2.9Å; F49-N69 WeakPolarHBondContact O-CA 3.3Å; F49-Q70 PolarHBondContact O-N 3.13Å
50	V	86.6	Confident	72.5	Confident	89 Å²	89	94.9 Å²	94.9	54%	0.539	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.5	119.5	172.5	-176	0	0	0	0	108.3	Q70 I72	V50-Q70 CarbonylContact C-O 3.36Å; V50-Q70 WeakPolarHBondContact CA-O 3.47Å; V50-Q70 HydrophobicContact CG2-CB 4.45Å; V50-I72 HydrophobicContact CG1-CD1 3.61Å; V50-I72 HydrophobicContact CG1-CG1 4.08Å
51	R	89.1	Confident	75.2	Confident	164 Å²	164	93 Å²	93	62%	0.619	52%	0.519	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	109.9	176.6	-69.4	-172.5	174.9	-151.5	-1.5	110.1	Q70 T71 I72	R51-Q70 PolarHBondContact N-O 2.98Å; R51-T71 CarbonylContact O-C 3.58Å; R51-T71 WeakPolarHBondContact O-CA 3.39Å; R51-I72 PolarHBondContact O-N 2.99Å
52	Q	91.5	Very high	78	Confident	126 Å²	126	94.4 Å²	94.4	59%	0.589	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	130.6	169.7	-173.5	173	-28.4	0	0	110.4	I72	Q52-I72 CarbonylContact C-O 3.6Å; Q52-I72 WeakPolarHBondContact CA-O 3.38Å; Q52-I72 HydrophobicContact CG-CG2 4.42Å
53	K	93	Very high	80.4	Confident	63 Å²	63	92.6 Å²	92.6	27%	0.274	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	136.4	170.6	-58.7	-173.1	-173.4	-173.3	0	108.9	D63 T71 I72 Y73 A74	K53-D63 IonicContact NZ-OD1 2.56Å; K53-D63 PolarHBondContact NZ-OD1 3.49Å; K53-D63 IonicContact NZ-OD2 3.88Å; K53-D63 PolarHBondContact NZ-OD2 3.05Å; K53-T71 HydrophobicContact CD-CG2 4.43Å; K53-T71 HydrophobicContact CG-CG2 4.5Å; K53-I72 PolarHBondContact N-O 2.87Å; K53-Y73 HydrophobicContact CB-CD1 4.34Å; K53-Y73 HydrophobicContact CD-CD1 4.34Å; K53-Y73 HydrophobicContact CD-CE1 3.89Å; K53-Y73 WeakPolarHBondContact O-CA 3.38Å; K53-A74 PolarHBondContact O-N 2.69Å
54	N	93.2	Very high	82.9	Confident	140 Å²	140	90.5 Å²	90.5	75%	0.749	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	135.7	160.3	-66.4	-16.1	0	0	0	107.5
55	A	93.8	Very high	85.3	Confident	4 Å²	4	82.8 Å²	82.8	3%	0.033	42%	0.423	C	S	.	.			trans	-130.9	146.6	-169.7	0	0	0	0	0	111.9	Y61 Y73 A74 F75	A55-Y61 WeakPolarHBondContact CA-OH 3.44Å; A55-Y61 HydrophobicContact CB-CE2 4.03Å; A55-Y73 HydrophobicContact CB-CD1 4.15Å; A55-A74 PolarHBondContact N-O 2.94Å; A55-F75 HydrophobicContact CB-CD1 3.88Å; A55-F75 HydrophobicContact CB-CD2 4.29Å; A55-F75 HydrophobicContact CB-CE1 3.44Å; A55-F75 VanDerWaalsContact CB-CE1 3.44Å; A55-F75 HydrophobicContact CB-CE2 3.89Å; A55-F75 HydrophobicContact CB-CG 4.29Å; A55-F75 HydrophobicContact CB-CZ 3.44Å; A55-F75 VanDerWaalsContact CB-CZ 3.44Å; A55-F75 WeakPolarHBondContact O-CD1 3.48Å
56	E	93.5	Very high	87.3	Confident	138 Å²	138	81.7 Å²	81.7	65%	0.645	40%	0.401	S	S	*	.			trans	-110.4	151	-176.4	-66.2	-177	-178.2	0	0	110.6	V59 Y61	E56-V59 HydrophobicContact CB-CG2 4.07Å; E56-Y61 PolarHBondContact N-OH 2.68Å
57	F	92.4	Very high	88.9	Confident	18 Å²	18	77.4 Å²	77.4	8%	0.079	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	153.3	178.7	-73.3	-96	0	0	0	111.7	V59 F75 N76 H77 V87 F152 V170 R172	F57-V59 PolarHBondContact O-N 3.42Å; F57-F75 HydrophobicContact CE2-CB 4.47Å; F57-F75 HydrophobicContact CZ-CB 4.49Å; F57-N76 WeakPolarHBondContact CE2-O 3.43Å; F57-H77 HydrophobicContact CZ-CB 4.06Å; F57-H77 AromaticContact CZ-ND1 3.84Å; F57-V87 HydrophobicContact CE1-CG1 4.01Å; F57-V87 HydrophobicContact CE1-CG2 4.03Å; F57-F152 HydrophobicContact CE1-CE1 4.33Å; F57-F152 HydrophobicContact CE1-CZ 4.21Å; F57-F152 AromaticContact CZ-CE1 3.89Å; F57-F152 HydrophobicContact CZ-CE1 3.89Å; F57-F152 HydrophobicContact CZ-CZ 4.08Å; F57-V170 CarbonylContact C-O 3.5Å; F57-V170 WeakPolarHBondContact CA-O 3.44Å; F57-V170 HydrophobicContact CD1-CG1 4.4Å; F57-V170 HydrophobicContact CE1-CG1 4.32Å; F57-R172 HydrophobicContact CD1-CG 4.07Å
58	D	92	Very high	90	Very high	58 Å²	58	75.6 Å²	75.6	31%	0.31	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	-9.1	172.8	-50.4	-64.8	0	0	0	114.5	R169 V170 S171 R172	D58-R169 VanDerWaalsContact O-CZ 3.3Å; D58-R169 PolarHBondContact O-NE 3.5Å; D58-R169 PolarHBondContact O-NH2 3.24Å; D58-V170 PolarHBondContact N-O 2.93Å; D58-S171 WeakPolarHBondContact OD1-CA 3.5Å; D58-S171 WeakPolarHBondContact OD1-CB 3.25Å; D58-R172 PolarHBondContact OD1-N 3.09Å; D58-R172 VanDerWaalsContact OD1-N 3.16Å; D58-R172 IonicContact OD2-NH1 2.71Å; D58-R172 PolarHBondContact OD2-NH1 3.29Å
59	V	94.6	Very high	90.7	Very high	58 Å²	58	69.7 Å²	69.7	35%	0.352	34%	0.344	S	S	.	.			trans	-73	143.1	167.2	178.6	0	0	0	0	111.5	E56 F57 Y61 R169	E56-V59 HydrophobicContact CB-CG2 4.07Å; F57-V59 PolarHBondContact O-N 3.42Å; V59-Y61 HydrophobicContact CB-CE2 4.07Å; V59-Y61 HydrophobicContact CG1-CD2 4.46Å; V59-Y61 HydrophobicContact CG1-CE1 4.1Å; V59-Y61 HydrophobicContact CG1-CE2 3.9Å; V59-R169 WeakPolarHBondContact O-CG 3.37Å
60	T	94.4	Very high	91	Very high	59 Å²	59	67.1 Å²	67.1	36%	0.362	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	116.6	179	-56.4	0	0	0	0	110.5	Q167 R169	T60-Q167 HydrophobicContact CG2-CG 3.39Å; T60-R169 WeakPolarHBondContact OG1-CD 3.32Å
61	Y	94.4	Very high	91.3	Very high	40 Å²	40	63 Å²	63	16%	0.157	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	119.4	178.1	-62.4	-81.6	0	0	0	110.4	A55 E56 V59 Y73 Q167 L168	A55-Y61 WeakPolarHBondContact CA-OH 3.44Å; A55-Y61 HydrophobicContact CB-CE2 4.03Å; E56-Y61 PolarHBondContact N-OH 2.68Å; V59-Y61 HydrophobicContact CB-CE2 4.07Å; V59-Y61 HydrophobicContact CG1-CD2 4.46Å; V59-Y61 HydrophobicContact CG1-CE1 4.1Å; V59-Y61 HydrophobicContact CG1-CE2 3.9Å; Y61-Y73 HydrophobicContact CD1-CE1 4.01Å; Y61-Y73 HydrophobicContact CD2-CD1 4.38Å; Y61-Y73 HydrophobicContact CD2-CE1 4.26Å; Y61-Y73 HydrophobicContact CG-CD1 4.29Å; Y61-Y73 AromaticContact CG-CE1 3.77Å; Y61-Y73 HydrophobicContact CG-CE1 3.77Å; Y61-Q167 CarbonylContact O-C 3.54Å; Y61-Q167 WeakPolarHBondContact O-CA 3.47Å; Y61-L168 PolarHBondContact N-O 3.41Å; Y61-L168 PolarHBondContact O-N 2.83Å
62	N	93.6	Very high	91.6	Very high	114 Å²	114	56 Å²	56	61%	0.61	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.2	109.3	172.4	-64	-25.8	0	0	0	107.9	Q167	N62-Q167 WeakPolarHBondContact OD1-CG 3.17Å; N62-Q167 PolarHBondContact OD1-NE2 2.73Å
63	D	91.4	Very high	91.8	Very high	40 Å²	40	50 Å²	50	21%	0.214	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	168.9	-171.6	-92	-80.8	0	0	0	111.5	K53 Y73 F166	K53-D63 IonicContact NZ-OD1 2.56Å; K53-D63 PolarHBondContact NZ-OD1 3.49Å; K53-D63 IonicContact NZ-OD2 3.88Å; K53-D63 PolarHBondContact NZ-OD2 3.05Å; D63-Y73 WeakPolarHBondContact CB-OH 3.4Å; D63-Y73 PolarHBondContact OD2-OH 3.31Å; D63-F166 HydrophobicContact CB-CE1 3.85Å; D63-F166 HydrophobicContact CB-CE2 4.3Å; D63-F166 HydrophobicContact CB-CZ 3.66Å; D63-F166 PolarHBondContact N-O 3.4Å; D63-F166 VanDerWaalsContact O-CD1 3.26Å; D63-F166 WeakPolarHBondContact O-CD1 3.22Å; D63-F166 PolarHBondContact O-N 3.27Å
64	T	89.7	Confident	91.9	Very high	56 Å²	56	47.6 Å²	47.6	34%	0.344	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	147.1	-177.5	75.8	0	0	0	0	112.4	T164 N165	T64-T164 WeakPolarHBondContact CA-O 3.45Å; T64-N165 WeakPolarHBondContact CG2-OD1 3.28Å
65	V	89.4	Confident	91.9	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	147.5	-175	70.6	0	0	0	0	112.3	N69 I102 V156 T158 T164 F166	V65-N69 WeakPolarHBondContact CG2-O 3.34Å; V65-I102 HydrophobicContact CG1-CD1 3.9Å; V65-I102 HydrophobicContact CG1-CG1 4.1Å; V65-I102 HydrophobicContact CG1-CG2 4.09Å; V65-V156 HydrophobicContact CG1-CG1 4.44Å; V65-T158 HydrophobicContact CB-CG2 4.47Å; V65-T158 HydrophobicContact CG1-CG2 3.92Å; V65-T158 HydrophobicContact CG2-CG2 4.25Å; V65-T164 WeakPolarHBondContact CG1-OG1 3.39Å; V65-T164 PolarHBondContact N-O 2.92Å; V65-T164 PolarHBondContact O-N 3.31Å; V65-T164 VanDerWaalsContact O-N 3.17Å; V65-T164 PolarHBondContact O-OG1 2.92Å; V65-F166 HydrophobicContact CB-CD1 4.34Å; V65-F166 HydrophobicContact CB-CE1 4Å; V65-F166 HydrophobicContact CG1-CD1 4.01Å; V65-F166 HydrophobicContact CG1-CE1 4.14Å
66	K	88.7	Confident	91.7	Very high	40 Å²	40	45 Å²	45	17%	0.174	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-141.8	165.5	-175	-69.4	-175.6	-177.1	175.7	0	111.1	Y68 N69 S160 E163	K66-Y68 HydrophobicContact CD-CE1 3.78Å; K66-Y68 HydrophobicContact CD-CE2 4.04Å; K66-Y68 VanDerWaalsContact CD-CZ 3.45Å; K66-Y68 WeakPolarHBondContact CD-OH 3.37Å; K66-Y68 PolarHBondContact NZ-OH 3.42Å; K66-Y68 PolarHBondContact O-N 3.14Å; K66-N69 HydrophobicContact CB-CB 4.42Å; K66-N69 PolarHBondContact O-N 3.35Å; K66-N69 VanDerWaalsContact O-O 3.13Å; K66-S160 CarbonylContact C-O 3.55Å; K66-E163 HydrophobicContact CD-CG 4.25Å; K66-E163 VanDerWaalsContact CE-CD 3.45Å; K66-E163 WeakPolarHBondContact CE-OE1 3.35Å; K66-E163 HydrophobicContact CG-CG 4.17Å; K66-E163 IonicContact NZ-OE1 2.7Å; K66-E163 PolarHBondContact NZ-OE1 3.47Å
67	S	87.2	Confident	91.2	Very high	25 Å²	25	39 Å²	39	18%	0.175	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42.3	-38.1	171.2	60.4	0	0	0	0	115.7	T158 S160	S67-T158 WeakPolarHBondContact CA-O 3.43Å; S67-S160 PolarHBondContact N-O 3.01Å
68	Y	85	Confident	90.7	Very high	83 Å²	83	41.6 Å²	41.6	33%	0.325	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	2.1	-176.7	62.8	-106.8	0	0	0	114.9	K48 F49 K66	K48-Y68 CarbonylContact C-O 3.55Å; K48-Y68 WeakPolarHBondContact CA-O 3.3Å; F49-Y68 HydrophobicContact CD2-CD2 4.29Å; F49-Y68 PolarHBondContact N-O 2.9Å; K66-Y68 HydrophobicContact CD-CE1 3.78Å; K66-Y68 HydrophobicContact CD-CE2 4.04Å; K66-Y68 VanDerWaalsContact CD-CZ 3.45Å; K66-Y68 WeakPolarHBondContact CD-OH 3.37Å; K66-Y68 PolarHBondContact NZ-OH 3.42Å; K66-Y68 PolarHBondContact O-N 3.14Å
69	N	88	Confident	90	Very high	28 Å²	28	39.6 Å²	39.6	15%	0.15	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	116.6	-179.3	-178.4	42.9	0	0	0	110.7	F49 V65 K66	F49-N69 WeakPolarHBondContact O-CA 3.3Å; V65-N69 WeakPolarHBondContact CG2-O 3.34Å; K66-N69 HydrophobicContact CB-CB 4.42Å; K66-N69 PolarHBondContact O-N 3.35Å; K66-N69 VanDerWaalsContact O-O 3.13Å
70	Q	88.7	Confident	88.9	Confident	66 Å²	66	38.8 Å²	38.8	31%	0.308	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130.4	173.9	178.9	177.9	-8.8	0	0	109.7	F49 V50 R51 I72	F49-Q70 PolarHBondContact O-N 3.13Å; V50-Q70 CarbonylContact C-O 3.36Å; V50-Q70 WeakPolarHBondContact CA-O 3.47Å; V50-Q70 HydrophobicContact CG2-CB 4.45Å; R51-Q70 PolarHBondContact N-O 2.98Å; Q70-I72 HydrophobicContact CG-CG1 4.4Å
71	T	93.4	Very high	87.8	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.012	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	137	174.6	-56.5	0	0	0	0	110.2	R51 K53 Y73 V156	R51-T71 CarbonylContact O-C 3.58Å; R51-T71 WeakPolarHBondContact O-CA 3.39Å; K53-T71 HydrophobicContact CD-CG2 4.43Å; K53-T71 HydrophobicContact CG-CG2 4.5Å; T71-Y73 HydrophobicContact CG2-CD2 4.14Å; T71-Y73 HydrophobicContact CG2-CE1 4.36Å; T71-Y73 HydrophobicContact CG2-CE2 3.56Å; T71-V156 PolarHBondContact N-O 2.94Å; T71-V156 VanDerWaalsContact N-O 3.09Å; T71-V156 PolarHBondContact O-N 3.46Å
72	I	95.3	Very high	86.4	Confident	19 Å²	19	50 Å²	50	10%	0.097	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	117	180	-59.7	-176.4	0	0	0	108.5	V50 R51 Q52 K53 Q70 F153 D155	V50-I72 HydrophobicContact CG1-CD1 3.61Å; V50-I72 HydrophobicContact CG1-CG1 4.08Å; R51-I72 PolarHBondContact O-N 2.99Å; Q52-I72 CarbonylContact C-O 3.6Å; Q52-I72 WeakPolarHBondContact CA-O 3.38Å; Q52-I72 HydrophobicContact CG-CG2 4.42Å; K53-I72 PolarHBondContact N-O 2.87Å; Q70-I72 HydrophobicContact CG-CG1 4.4Å; I72-F153 HydrophobicContact CG2-CB 4.23Å; I72-F153 HydrophobicContact CG2-CD1 4.07Å; I72-D155 HydrophobicContact CG1-CB 4.48Å; I72-D155 WeakPolarHBondContact CG1-OD1 3.41Å; I72-D155 WeakPolarHBondContact CG2-OD1 3.4Å
73	Y	96.4	Very high	85.3	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	119.9	175.5	-59.6	-95.7	0	0	0	109.6	K53 A55 Y61 D63 T71 F153 V154 V156 F166 L168	K53-Y73 HydrophobicContact CB-CD1 4.34Å; K53-Y73 HydrophobicContact CD-CD1 4.34Å; K53-Y73 HydrophobicContact CD-CE1 3.89Å; K53-Y73 WeakPolarHBondContact O-CA 3.38Å; A55-Y73 HydrophobicContact CB-CD1 4.15Å; Y61-Y73 HydrophobicContact CD1-CE1 4.01Å; Y61-Y73 HydrophobicContact CD2-CD1 4.38Å; Y61-Y73 HydrophobicContact CD2-CE1 4.26Å; Y61-Y73 HydrophobicContact CG-CD1 4.29Å; Y61-Y73 AromaticContact CG-CE1 3.77Å; Y61-Y73 HydrophobicContact CG-CE1 3.77Å; D63-Y73 WeakPolarHBondContact CB-OH 3.4Å; D63-Y73 PolarHBondContact OD2-OH 3.31Å; T71-Y73 HydrophobicContact CG2-CD2 4.14Å; T71-Y73 HydrophobicContact CG2-CE1 4.36Å; T71-Y73 HydrophobicContact CG2-CE2 3.56Å; Y73-F153 CarbonylContact O-C 3.55Å; Y73-F153 VanDerWaalsContact O-CA 3.27Å; Y73-F153 WeakPolarHBondContact O-CA 3.44Å; Y73-V154 PolarHBondContact N-O 2.81Å; Y73-V154 PolarHBondContact O-N 2.92Å; Y73-V156 HydrophobicContact CD2-CG2 4.19Å; Y73-V156 HydrophobicContact CE2-CG2 3.87Å; Y73-F166 HydrophobicContact CE2-CE2 4.11Å; Y73-F166 HydrophobicContact CE2-CZ 4.14Å; Y73-F166 WeakPolarHBondContact OH-CZ 3.42Å; Y73-L168 HydrophobicContact CD1-CD2 4.18Å; Y73-L168 HydrophobicContact CD2-CD2 3.39Å; Y73-L168 HydrophobicContact CE1-CD2 4.29Å; Y73-L168 HydrophobicContact CE2-CD2 3.53Å; Y73-L168 HydrophobicContact CG-CD2 3.74Å
74	A	94.7	Very high	84.2	Confident	11 Å²	11	50.5 Å²	50.5	9%	0.091	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	122.5	179.5	0	0	0	0	0	111	K53 A55 F153	K53-A74 PolarHBondContact O-N 2.69Å; A55-A74 PolarHBondContact N-O 2.94Å; A74-F153 HydrophobicContact CB-CD1 3.71Å; A74-F153 HydrophobicContact CB-CE1 3.66Å
75	F	93	Very high	83.7	Confident	1 Å²	1	49.7 Å²	49.7	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	146	-179.8	-63.7	-92.1	0	0	0	111.1	A55 F57 Y151 F152 V154 V170	A55-F75 HydrophobicContact CB-CD1 3.88Å; A55-F75 HydrophobicContact CB-CD2 4.29Å; A55-F75 HydrophobicContact CB-CE1 3.44Å; A55-F75 VanDerWaalsContact CB-CE1 3.44Å; A55-F75 HydrophobicContact CB-CE2 3.89Å; A55-F75 HydrophobicContact CB-CG 4.29Å; A55-F75 HydrophobicContact CB-CZ 3.44Å; A55-F75 VanDerWaalsContact CB-CZ 3.44Å; A55-F75 WeakPolarHBondContact O-CD1 3.48Å; F57-F75 HydrophobicContact CE2-CB 4.47Å; F57-F75 HydrophobicContact CZ-CB 4.49Å; F75-Y151 WeakPolarHBondContact O-CA 3.48Å; F75-F152 HydrophobicContact CB-CD1 4.14Å; F75-F152 HydrophobicContact CB-CD2 4.2Å; F75-F152 HydrophobicContact CB-CE1 3.69Å; F75-F152 HydrophobicContact CB-CE2 3.74Å; F75-F152 HydrophobicContact CB-CG 4.38Å; F75-F152 HydrophobicContact CB-CZ 3.45Å; F75-F152 VanDerWaalsContact CB-CZ 3.45Å; F75-F152 HydrophobicContact CD1-CZ 4.41Å; F75-F152 HydrophobicContact CD2-CD2 4.09Å; F75-F152 AromaticContact CD2-CE2 3.48Å; F75-F152 HydrophobicContact CD2-CE2 3.48Å; F75-F152 VanDerWaalsContact CD2-CE2 3.48Å; F75-F152 AromaticContact CD2-CZ 3.97Å; F75-F152 HydrophobicContact CD2-CZ 3.97Å; F75-F152 HydrophobicContact CE2-CE2 4.25Å; F75-F152 HydrophobicContact CG-CD2 4.49Å; F75-F152 HydrophobicContact CG-CE1 4.44Å; F75-F152 AromaticContact CG-CE2 3.75Å; F75-F152 HydrophobicContact CG-CE2 3.75Å; F75-F152 AromaticContact CG-CZ 3.71Å; F75-F152 HydrophobicContact CG-CZ 3.71Å; F75-F152 PolarHBondContact N-O 3.29Å; F75-F152 PolarHBondContact O-N 3.48Å; F75-F152 VanDerWaalsContact O-N 3.1Å; F75-V154 HydrophobicContact CD2-CG2 4.27Å; F75-V154 HydrophobicContact CE2-CB 4.47Å; F75-V154 HydrophobicContact CE2-CG2 3.87Å; F75-V170 HydrophobicContact CD1-CB 4.49Å; F75-V170 HydrophobicContact CE1-CB 3.79Å; F75-V170 HydrophobicContact CE1-CG1 4.33Å; F75-V170 HydrophobicContact CE1-CG2 4.05Å; F75-V170 HydrophobicContact CE2-CB 4.36Å; F75-V170 HydrophobicContact CE2-CG2 3.81Å; F75-V170 HydrophobicContact CZ-CB 3.72Å; F75-V170 HydrophobicContact CZ-CG1 4.41Å; F75-V170 HydrophobicContact CZ-CG2 3.43Å; F75-V170 VanDerWaalsContact CZ-CG2 3.43Å
76	N	89	Confident	83.5	Confident	90 Å²	90	49.7 Å²	49.7	48%	0.481	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	111.7	177.3	57.1	-20.4	0	0	0	111.4	F57 T149 Y151	F57-N76 WeakPolarHBondContact CE2-O 3.43Å; N76-T149 HydrophobicContact CB-CG2 4.41Å; N76-Y151 HydrophobicContact CB-CD1 4.06Å; N76-Y151 HydrophobicContact CB-CE1 3.74Å
77	H	84.3	Confident	83.6	Confident	10 Å²	10	47.9 Å²	47.9	5%	0.046	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	121	-177	-171.4	60.8	0	0	0	112.2	F57 I79 E85 Q140 Q150 F152	F57-H77 HydrophobicContact CZ-CB 4.06Å; F57-H77 AromaticContact CZ-ND1 3.84Å; H77-I79 VanDerWaalsContact CD2-CG1 3.49Å; H77-I79 WeakPolarHBondContact CD2-CG1 3.23Å; H77-E85 IonicContact CE1-OE2 3.19Å; H77-Q140 PolarHBondContact CD2-NE2 2.88Å; H77-Q140 VanDerWaalsContact CD2-NE2 3.28Å; H77-Q140 PolarHBondContact NE2-NE2 3.37Å; H77-Q150 PolarHBondContact N-O 2.86Å; H77-Q150 PolarHBondContact O-N 3.11Å; H77-F152 HydrophobicContact CB-CD1 4.29Å; H77-F152 HydrophobicContact CB-CE1 4.06Å
78	T	81.6	Confident	83.9	Confident	74 Å²	74	47.4 Å²	47.4	45%	0.454	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	102.3	179.9	-53.3	0	0	0	0	110.8	S147 T149	T78-S147 WeakPolarHBondContact CG2-OG 3.49Å; T78-T149 PolarHBondContact OG1-OG1 3.28Å
79	I	76.4	Confident	84.4	Confident	15 Å²	15	43.5 Å²	43.5	8%	0.077	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	132.7	176	-55.4	179	0	0	0	108.4	H77 Q140 T143 S147 E148 Q150	H77-I79 VanDerWaalsContact CD2-CG1 3.49Å; H77-I79 WeakPolarHBondContact CD2-CG1 3.23Å; I79-Q140 HydrophobicContact CD1-CB 4.46Å; I79-T143 HydrophobicContact CB-CG2 4.36Å; I79-T143 HydrophobicContact CG2-CG2 3.91Å; I79-S147 CarbonylContact O-C 3.52Å; I79-S147 VanDerWaalsContact O-CA 3.29Å; I79-S147 WeakPolarHBondContact O-CA 3.31Å; I79-S147 PolarHBondContact O-OG 3.45Å; I79-E148 PolarHBondContact N-O 2.84Å; I79-E148 PolarHBondContact O-N 2.89Å; I79-Q150 HydrophobicContact CD1-CG 4.34Å
80	S	72.9	Confident	84.8	Confident	41 Å²	41	43.5 Å²	43.5	29%	0.287	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	143.1	170.1	179.4	0	0	0	0	110.7	N82 K83 A146	S80-N82 PolarHBondContact O-N 3.24Å; S80-N82 VanDerWaalsContact O-N 3.16Å; S80-N82 PolarHBondContact OG-N 3.37Å; S80-K83 PolarHBondContact O-N 2.61Å; S80-K83 VanDerWaalsContact O-O 3.07Å; S80-A146 WeakPolarHBondContact CA-O 3.3Å; S80-A146 PolarHBondContact OG-O 3.49Å; S80-A146 VanDerWaalsContact OG-O 3.13Å
81	R	70.1	Confident	85.2	Confident	183 Å²	183	40.4 Å²	40.4	69%	0.691	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-29.4	176.2	-175.1	172.1	174.9	-175.9	-4	113.2	A146	R81-A146 PolarHBondContact N-O 3.08Å
82	N	66.4	Low	85.2	Confident	151 Å²	151	42 Å²	42	81%	0.807	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-3	-175.7	-65.6	11.6	0	0	0	113.7	S80	S80-N82 PolarHBondContact O-N 3.24Å; S80-N82 VanDerWaalsContact O-N 3.16Å; S80-N82 PolarHBondContact OG-N 3.37Å
83	K	68.8	Low	84.9	Confident	127 Å²	127	41.2 Å²	41.2	55%	0.552	21%	0.208	S	C	*	.	B	Isolated β-bridge	trans	-137.6	107.4	179.8	-167.7	-168.9	-174.6	-164.3	0	109.9	S80 E85	S80-K83 PolarHBondContact O-N 2.61Å; S80-K83 VanDerWaalsContact O-O 3.07Å; K83-E85 HydrophobicContact CD-CG 4.25Å; K83-E85 WeakPolarHBondContact CE-OE1 3.33Å; K83-E85 HydrophobicContact CG-CG 4.38Å; K83-E85 IonicContact NZ-OE1 2.65Å; K83-E85 PolarHBondContact NZ-OE1 2.95Å
84	T	70.1	Confident	84.1	Confident	38 Å²	38	46.8 Å²	46.8	23%	0.233	24%	0.235	C	C	.	.			trans	-89.7	111.9	175.2	-34	0	0	0	0	109	F176 K197	T84-F176 HydrophobicContact CG2-CD1 4.08Å; T84-F176 HydrophobicContact CG2-CE1 3.94Å; T84-K197 HydrophobicContact CG2-CD 3.84Å; T84-K197 PolarHBondContact OG1-NZ 2.97Å
85	E	78.3	Confident	83.1	Confident	39 Å²	39	48.7 Å²	48.7	18%	0.182	24%	0.242	C	C	.	.			trans	-99.6	136.7	172.3	-63.6	-171	174.7	0	0	109.7	H77 K83 Q140 R172	H77-E85 IonicContact CE1-OE2 3.19Å; K83-E85 HydrophobicContact CD-CG 4.25Å; K83-E85 WeakPolarHBondContact CE-OE1 3.33Å; K83-E85 HydrophobicContact CG-CG 4.38Å; K83-E85 IonicContact NZ-OE1 2.65Å; K83-E85 PolarHBondContact NZ-OE1 2.95Å; E85-Q140 PolarHBondContact O-NE2 3.13Å; E85-Q140 VanDerWaalsContact O-NE2 3.11Å; E85-Q140 PolarHBondContact O-OE1 3.1Å; E85-R172 IonicContact OE2-NE 2.97Å
86	G	85.2	Confident	81.4	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	145.2	167.2	0	0	0	0	0	109.9	V173	G86-V173 PolarHBondContact O-N 3.49Å
87	V	91	Very high	80.2	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.012	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.3	170.7	174.5	0	0	0	0	108	F57 T137 L138 F152 V170	F57-V87 HydrophobicContact CE1-CG1 4.01Å; F57-V87 HydrophobicContact CE1-CG2 4.03Å; V87-T137 WeakPolarHBondContact O-CA 3.49Å; V87-L138 HydrophobicContact CB-CD1 4.35Å; V87-L138 HydrophobicContact CG1-CD1 3.89Å; V87-L138 HydrophobicContact CG1-CG 4.42Å; V87-L138 PolarHBondContact O-N 2.74Å; V87-F152 HydrophobicContact CG1-CE1 4.26Å; V87-F152 HydrophobicContact CG1-CZ 3.87Å; V87-V170 HydrophobicContact CG1-CG1 3.74Å
88	R	93.8	Very high	79.3	Confident	16 Å²	16	61.5 Å²	61.5	6%	0.06	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	124.8	-179.9	-169.2	169	-177.4	85.1	-13.2	110.3	R136 T137 V170 S171 V173 Q192 P193 Q194	R88-R136 WeakPolarHBondContact CA-O 3.45Å; R88-T137 PolarHBondContact NH1-OG1 2.96Å; R88-V170 CarbonylContact O-C 3.5Å; R88-V170 WeakPolarHBondContact O-CA 3.32Å; R88-S171 PolarHBondContact N-O 3.34Å; R88-S171 PolarHBondContact O-N 2.63Å; R88-V173 HydrophobicContact CB-CG2 3.78Å; R88-Q192 PolarHBondContact NH2-O 3.11Å; R88-P193 PolarHBondContact NH1-O 3.24Å; R88-P193 PolarHBondContact NH2-O 3.32Å; R88-Q194 VanDerWaalsContact CZ-OE1 3.23Å; R88-Q194 VanDerWaalsContact NH1-OE1 3.1Å
89	V	95.4	Very high	78.8	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	114.2	172.8	178.1	0	0	0	0	107.2	V91 I106 R136 L138 L168 V170	V89-V91 HydrophobicContact CG1-CG1 4.43Å; V89-I106 HydrophobicContact CG2-CG1 4.37Å; V89-R136 PolarHBondContact N-O 3.12Å; V89-R136 PolarHBondContact O-N 2.86Å; V89-L138 HydrophobicContact CG2-CD1 3.99Å; V89-L138 HydrophobicContact CG2-CD2 4.06Å; V89-L138 HydrophobicContact CG2-CG 4.09Å; V89-L168 HydrophobicContact CG1-CD1 3.87Å; V89-V170 HydrophobicContact CG1-CG2 4.38Å; V89-V170 HydrophobicContact CG2-CG1 4.12Å; V89-V170 HydrophobicContact CG2-CG2 4.11Å
90	T	96.3	Very high	79.2	Confident	28 Å²	28	67.7 Å²	67.7	17%	0.172	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	132.1	175.6	-62.6	0	0	0	0	108.9	H133 V134 R169	T90-H133 WeakPolarHBondContact CG2-CE1 3.29Å; T90-V134 WeakPolarHBondContact CA-O 3.48Å; T90-R169 PolarHBondContact N-O 3.14Å; T90-R169 PolarHBondContact O-N 3.29Å; T90-R169 VanDerWaalsContact O-O 3.06Å
91	V	95.9	Very high	80	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.006	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	154	175.2	-61.2	0	0	0	0	111.1	V89 F104 F115 V117 H133 V134 Q167 L168	V89-V91 HydrophobicContact CG1-CG1 4.43Å; V91-F104 HydrophobicContact CB-CE1 4.26Å; V91-F104 HydrophobicContact CB-CE2 4.39Å; V91-F104 HydrophobicContact CB-CZ 4.05Å; V91-F104 HydrophobicContact CG1-CD1 3.87Å; V91-F104 HydrophobicContact CG1-CE1 3.57Å; V91-F104 HydrophobicContact CG1-CE2 4.43Å; V91-F104 HydrophobicContact CG1-CG 4.43Å; V91-F104 HydrophobicContact CG1-CZ 3.88Å; V91-F104 HydrophobicContact CG2-CD2 4.44Å; V91-F104 HydrophobicContact CG2-CE2 4.19Å; V91-F104 HydrophobicContact CG2-CZ 4.35Å; V91-F115 HydrophobicContact CG2-CE2 3.76Å; V91-F115 HydrophobicContact CG2-CZ 4.27Å; V91-V117 HydrophobicContact CG2-CG2 3.76Å; V91-H133 WeakPolarHBondContact O-CA 3.41Å; V91-H133 PolarHBondContact O-ND1 3.05Å; V91-V134 HydrophobicContact CG2-CB 3.94Å; V91-V134 PolarHBondContact N-O 3.33Å; V91-V134 PolarHBondContact O-N 3.25Å; V91-Q167 CarbonylContact C-O 3.55Å; V91-Q167 WeakPolarHBondContact CA-O 3.3Å; V91-L168 HydrophobicContact CG1-CB 4.45Å; V91-L168 HydrophobicContact CG1-CD1 3.6Å
92	D	93.6	Very high	81.1	Confident	36 Å²	36	59.4 Å²	59.4	19%	0.193	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	152.4	169.1	-162	12.4	0	0	0	110.7	M94 H133 F166 Q167	D92-M94 HydrophobicContact CB-CE 4.03Å; D92-M94 VanDerWaalsContact OD2-CE 3.24Å; D92-M94 WeakPolarHBondContact OD2-CE 3.18Å; D92-H133 PolarHBondContact OD1-N 3.11Å; D92-F166 WeakPolarHBondContact O-CA 3.32Å; D92-Q167 HydrophobicContact CB-CB 4.42Å; D92-Q167 PolarHBondContact N-O 2.74Å; D92-Q167 PolarHBondContact O-N 2.85Å
93	V	89.7	Confident	82.4	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.012	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	109.2	-174.5	175.3	0	0	0	0	109.3	Q95 L98 I102 V117 F166	V93-Q95 PolarHBondContact O-N 3.12Å; V93-L98 HydrophobicContact CG1-CD1 3.9Å; V93-L98 HydrophobicContact CG1-CD2 4.04Å; V93-I102 HydrophobicContact CG1-CD1 4.14Å; V93-I102 HydrophobicContact CG2-CD1 3.87Å; V93-V117 HydrophobicContact CB-CG1 3.87Å; V93-V117 HydrophobicContact CG2-CB 3.97Å; V93-V117 HydrophobicContact CG2-CG1 3.46Å; V93-V117 VanDerWaalsContact CG2-CG1 3.46Å; V93-F166 HydrophobicContact CG2-CB 4.1Å
94	M	78.9	Confident	83.7	Confident	117 Å²	117	49.6 Å²	49.6	58%	0.576	25%	0.249	S	C	*	.			trans	-76.6	-4.7	-164.6	-61.7	-67	156.7	0	0	114.4	D92 N165	D92-M94 HydrophobicContact CB-CE 4.03Å; D92-M94 VanDerWaalsContact OD2-CE 3.24Å; D92-M94 WeakPolarHBondContact OD2-CE 3.18Å; M94-N165 PolarHBondContact N-O 3.04Å
95	Q	74.3	Confident	85	Confident	51 Å²	51	49.2 Å²	49.2	24%	0.238	25%	0.247	C	C	.	.			trans	-87.6	139.1	-169.4	-146.7	157.7	13.4	0	0	111.4	V93 L98 K132 E163 T164	V93-Q95 PolarHBondContact O-N 3.12Å; Q95-L98 HydrophobicContact CB-CD1 4.02Å; Q95-K132 PolarHBondContact O-NZ 3.02Å; Q95-E163 PolarHBondContact NE2-O 3.42Å; Q95-T164 VanDerWaalsContact OE1-CA 3.25Å
96	Q	58.6	Low	85.8	Confident	164 Å²	164	47.3 Å²	47.3	77%	0.766	24%	0.238	S	C	*	.	S	Bend	trans	-71.4	-44.9	-173.5	-78.7	-174.7	-21.7	0	0	113.1	K132	Q96-K132 PolarHBondContact O-NZ 3.03Å
97	H	62.9	Low	86.1	Confident	168 Å²	168	51.4 Å²	51.4	78%	0.778	25%	0.254	S	S	*	.			trans	-120.5	143	173.6	-63.3	-87.6	0	0	0	110.3
98	L	66.2	Low	86	Confident	39 Å²	39	52.9 Å²	52.9	20%	0.204	26%	0.26	C	S	.	.			trans	-132.1	116.1	168.2	-73.6	92.3	0	0	0	108.4	V93 Q95 I102 T164	V93-L98 HydrophobicContact CG1-CD1 3.9Å; V93-L98 HydrophobicContact CG1-CD2 4.04Å; Q95-L98 HydrophobicContact CB-CD1 4.02Å; L98-I102 HydrophobicContact CD2-CG1 4.12Å; L98-T164 HydrophobicContact CD2-CG2 4.39Å
99	E	71.1	Confident	85.4	Confident	184 Å²	184	57.3 Å²	57.3	86%	0.86	28%	0.28	S	S	*	.	S	Bend	trans	-73.5	-33.5	171.1	-61.6	-179.3	151.2	0	0	111.5
100	S	84.1	Confident	84.7	Confident	35 Å²	35	63.9 Å²	63.9	25%	0.245	31%	0.311	C	S	.	.	S	Bend	trans	-118.6	125.7	173.4	-73.1	0	0	0	0	109.5
101	P	90.2	Very high	84.2	Confident	49 Å²	49	63.9 Å²	63.9	32%	0.318	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-70.1	164.2	179.2	29.8	-35.2	0	0	0	112.2	Q116 V117 T158	P101-Q116 HydrophobicContact CB-CB 4.05Å; P101-Q116 HydrophobicContact CG-CB 4.37Å; P101-V117 WeakPolarHBondContact CA-O 3.4Å; P101-V117 VanDerWaalsContact CB-O 3.31Å; P101-V117 WeakPolarHBondContact CB-O 3.24Å; P101-T158 WeakPolarHBondContact O-CB 3.45Å; P101-T158 PolarHBondContact O-OG1 3.19Å
102	I	92.8	Very high	83.9	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	128.4	164.8	-54.8	179.6	0	0	0	107.9	V65 V93 L98 F104 Q116 V117 V156 S157 F166	V65-I102 HydrophobicContact CG1-CD1 3.9Å; V65-I102 HydrophobicContact CG1-CG1 4.1Å; V65-I102 HydrophobicContact CG1-CG2 4.09Å; V93-I102 HydrophobicContact CG1-CD1 4.14Å; V93-I102 HydrophobicContact CG2-CD1 3.87Å; L98-I102 HydrophobicContact CD2-CG1 4.12Å; I102-F104 HydrophobicContact CB-CE2 3.96Å; I102-F104 HydrophobicContact CG2-CD2 4.09Å; I102-F104 HydrophobicContact CG2-CE2 3.48Å; I102-F104 VanDerWaalsContact CG2-CE2 3.48Å; I102-F104 HydrophobicContact CG2-CZ 3.76Å; I102-Q116 CarbonylContact O-C 3.59Å; I102-Q116 WeakPolarHBondContact O-CA 3.31Å; I102-V117 PolarHBondContact N-O 3.38Å; I102-V117 PolarHBondContact O-N 3.19Å; I102-V156 HydrophobicContact CG2-CG1 3.52Å; I102-S157 CarbonylContact C-O 3.55Å; I102-S157 WeakPolarHBondContact CA-O 3.16Å; I102-S157 WeakPolarHBondContact CG2-O 3.29Å; I102-F166 HydrophobicContact CD1-CB 3.99Å; I102-F166 HydrophobicContact CD1-CD1 4.49Å
103	L	94.4	Very high	83.8	Confident	72 Å²	72	68.6 Å²	68.6	38%	0.377	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	124.5	174.9	-179.2	65.6	0	0	0	109.6	V105 S157	L103-V105 HydrophobicContact CD1-CG2 4.5Å; L103-V105 HydrophobicContact CD2-CG2 4.06Å; L103-V105 HydrophobicContact CG-CG2 3.93Å; L103-S157 PolarHBondContact N-O 3.24Å; L103-S157 PolarHBondContact O-N 3.45Å; L103-S157 VanDerWaalsContact O-N 3.09Å
104	F	96	Very high	84	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	129.6	170.9	-66.3	-94	0	0	0	109	V91 I102 S114 F115 V117 V154 D155 V156 F166	V91-F104 HydrophobicContact CB-CE1 4.26Å; V91-F104 HydrophobicContact CB-CE2 4.39Å; V91-F104 HydrophobicContact CB-CZ 4.05Å; V91-F104 HydrophobicContact CG1-CD1 3.87Å; V91-F104 HydrophobicContact CG1-CE1 3.57Å; V91-F104 HydrophobicContact CG1-CE2 4.43Å; V91-F104 HydrophobicContact CG1-CG 4.43Å; V91-F104 HydrophobicContact CG1-CZ 3.88Å; V91-F104 HydrophobicContact CG2-CD2 4.44Å; V91-F104 HydrophobicContact CG2-CE2 4.19Å; V91-F104 HydrophobicContact CG2-CZ 4.35Å; I102-F104 HydrophobicContact CB-CE2 3.96Å; I102-F104 HydrophobicContact CG2-CD2 4.09Å; I102-F104 HydrophobicContact CG2-CE2 3.48Å; I102-F104 VanDerWaalsContact CG2-CE2 3.48Å; I102-F104 HydrophobicContact CG2-CZ 3.76Å; F104-S114 VanDerWaalsContact O-CA 3.24Å; F104-S114 WeakPolarHBondContact O-CA 3.49Å; F104-F115 HydrophobicContact CB-CD2 4.4Å; F104-F115 HydrophobicContact CB-CE1 4.4Å; F104-F115 HydrophobicContact CB-CE2 4.02Å; F104-F115 HydrophobicContact CB-CZ 4.03Å; F104-F115 HydrophobicContact CD2-CE2 4.15Å; F104-F115 HydrophobicContact CG-CE2 4.23Å; F104-F115 HydrophobicContact CG-CZ 4.47Å; F104-F115 PolarHBondContact N-O 2.91Å; F104-F115 PolarHBondContact O-N 3.34Å; F104-V117 HydrophobicContact CD2-CG2 3.74Å; F104-V117 HydrophobicContact CE2-CB 4.1Å; F104-V117 HydrophobicContact CE2-CG2 3.58Å; F104-V154 HydrophobicContact CD1-CG1 4.37Å; F104-D155 WeakPolarHBondContact CA-O 3.37Å; F104-V156 HydrophobicContact CD1-CB 4.41Å; F104-V156 HydrophobicContact CD1-CG1 4.09Å; F104-V156 HydrophobicContact CD1-CG2 3.68Å; F104-V156 HydrophobicContact CE1-CB 4.28Å; F104-V156 HydrophobicContact CE1-CG1 3.64Å; F104-V156 HydrophobicContact CE1-CG2 3.63Å; F104-V156 HydrophobicContact CZ-CG1 3.96Å; F104-F166 AromaticContact CE1-CD2 3.97Å; F104-F166 HydrophobicContact CE1-CD2 3.97Å; F104-F166 HydrophobicContact CE1-CE2 4.31Å; F104-F166 HydrophobicContact CZ-CB 4.24Å; F104-F166 HydrophobicContact CZ-CD2 4Å; F104-F166 HydrophobicContact CZ-CG 4.23Å
105	V	96.1	Very high	84.7	Confident	30 Å²	30	67.4 Å²	67.4	18%	0.182	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	112.5	176.8	-172.7	0	0	0	0	109.3	L103 R107 V112 D155	L103-V105 HydrophobicContact CD1-CG2 4.5Å; L103-V105 HydrophobicContact CD2-CG2 4.06Å; L103-V105 HydrophobicContact CG-CG2 3.93Å; V105-R107 HydrophobicContact CG1-CG 4.26Å; V105-V112 HydrophobicContact CG1-CG1 3.61Å; V105-D155 HydrophobicContact CB-CB 4.26Å; V105-D155 PolarHBondContact N-O 3.26Å; V105-D155 PolarHBondContact O-N 2.82Å
106	I	94.9	Very high	85.6	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	110.4	177.7	-56.1	82.9	0	0	0	108.2	V89 Q108 V112 M113 F115 L138 F152 F153 V154	V89-I106 HydrophobicContact CG2-CG1 4.37Å; I106-Q108 HydrophobicContact CG2-CG 4.25Å; I106-V112 WeakPolarHBondContact O-CA 3.48Å; I106-M113 WeakPolarHBondContact CD1-O 3.06Å; I106-M113 PolarHBondContact N-O 3.14Å; I106-M113 PolarHBondContact O-N 3.35Å; I106-F115 HydrophobicContact CD1-CD1 4.17Å; I106-F115 HydrophobicContact CD1-CE1 3.48Å; I106-F115 VanDerWaalsContact CD1-CE1 3.48Å; I106-F115 HydrophobicContact CD1-CZ 4.25Å; I106-L138 HydrophobicContact CB-CD2 4.36Å; I106-L138 HydrophobicContact CG1-CD2 4.43Å; I106-L138 HydrophobicContact CG2-CD1 3.92Å; I106-L138 HydrophobicContact CG2-CD2 3.91Å; I106-F152 HydrophobicContact CG2-CD2 4.23Å; I106-F153 CarbonylContact C-O 3.55Å; I106-F153 VanDerWaalsContact CA-O 3.29Å; I106-F153 WeakPolarHBondContact CA-O 3.38Å; I106-V154 HydrophobicContact CG1-CG1 4.37Å; I106-V154 HydrophobicContact CG1-CG2 4.14Å
107	R	92.3	Very high	87.2	Confident	86 Å²	86	61 Å²	61	33%	0.325	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	110.6	176.8	-65.4	-177.4	-74	112.9	0.6	109.9	V105 V112 F152 F153 D155	V105-R107 HydrophobicContact CG1-CG 4.26Å; R107-V112 HydrophobicContact CG-CG1 4.45Å; R107-V112 HydrophobicContact CG-CG2 4.38Å; R107-F152 VanDerWaalsContact O-CA 3.24Å; R107-F152 WeakPolarHBondContact O-CA 3.42Å; R107-F152 WeakPolarHBondContact O-CB 3.46Å; R107-F153 HydrophobicContact CB-CB 4.43Å; R107-F153 PolarHBondContact N-O 3.32Å; R107-F153 PolarHBondContact O-N 2.91Å; R107-D155 IonicContact CZ-OD1 3.42Å; R107-D155 IonicContact CZ-OD2 2.68Å; R107-D155 IonicContact NE-OD1 3.5Å; R107-D155 PolarHBondContact NE-OD1 3.03Å; R107-D155 IonicContact NE-OD2 2.64Å; R107-D155 PolarHBondContact NE-OD2 2.89Å; R107-D155 IonicContact NH2-OD1 2.72Å; R107-D155 PolarHBondContact NH2-OD1 2.82Å; R107-D155 IonicContact NH2-OD2 2.99Å; R107-D155 PolarHBondContact NH2-OD2 2.95Å
108	Q	88.4	Confident	88.5	Confident	33 Å²	33	54 Å²	54	15%	0.154	28%	0.282	C	S	.	.			trans	-103.2	169.5	173	-56	173.7	-98.6	0	0	110.3	I106 Q110 A111 C139 F152	I106-Q108 HydrophobicContact CG2-CG 4.25Å; Q108-Q110 PolarHBondContact O-N 3.32Å; Q108-Q110 VanDerWaalsContact O-N 3.1Å; Q108-A111 CarbonylContact C-O 3.58Å; Q108-A111 WeakPolarHBondContact CA-O 3.45Å; Q108-A111 HydrophobicContact CB-CB 4.44Å; Q108-A111 WeakPolarHBondContact CB-O 3.29Å; Q108-A111 PolarHBondContact N-O 3.13Å; Q108-C139 PolarHBondContact NE2-O 2.71Å; Q108-F152 HydrophobicContact CG-CB 4.24Å
109	K	81.9	Confident	89.7	Confident	108 Å²	108	53 Å²	53	47%	0.47	28%	0.277	S	S	.	.	S	Bend	trans	-52.9	-33.4	-177.9	-173.2	-175	171.4	-171.8	0	115.1	E148 Q150	K109-E148 IonicContact NZ-OE1 2.66Å; K109-E148 PolarHBondContact NZ-OE1 3.4Å; K109-E148 IonicContact NZ-OE2 3.23Å; K109-E148 PolarHBondContact NZ-OE2 2.77Å; K109-Q150 HydrophobicContact CD-CG 4.08Å
110	Q	80.9	Confident	90.6	Very high	139 Å²	139	46.8 Å²	46.8	65%	0.65	25%	0.249	S	C	*	.	S	Bend	trans	-136.5	8.1	-176.2	-62.5	-176.2	-32.8	0	0	113.6	Q108 P141	Q108-Q110 PolarHBondContact O-N 3.32Å; Q108-Q110 VanDerWaalsContact O-N 3.1Å; Q110-P141 HydrophobicContact CB-CB 4.48Å; Q110-P141 HydrophobicContact CB-CG 4.27Å; Q110-P141 VanDerWaalsContact OE1-CB 3.23Å
111	A	84.3	Confident	90.9	Very high	28 Å²	28	45.4 Å²	45.4	23%	0.231	24%	0.239	C	C	.	.			trans	-148.6	151.5	-175.3	0	0	0	0	0	110.6	Q108	Q108-A111 CarbonylContact C-O 3.58Å; Q108-A111 WeakPolarHBondContact CA-O 3.45Å; Q108-A111 HydrophobicContact CB-CB 4.44Å; Q108-A111 WeakPolarHBondContact CB-O 3.29Å; Q108-A111 PolarHBondContact N-O 3.13Å
112	V	89.9	Confident	90.8	Very high	99 Å²	99	49.8 Å²	49.8	60%	0.6	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-128.1	127.5	169.1	-178	0	0	0	0	107.8	V105 I106 R107	V105-V112 HydrophobicContact CG1-CG1 3.61Å; I106-V112 WeakPolarHBondContact O-CA 3.48Å; R107-V112 HydrophobicContact CG-CG1 4.45Å; R107-V112 HydrophobicContact CG-CG2 4.38Å
113	M	91.3	Very high	90.2	Very high	36 Å²	36	50.6 Å²	50.6	18%	0.177	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	126.8	170.6	-172.7	-173.2	-59.9	0	0	108	I106 R136 L138	I106-M113 WeakPolarHBondContact CD1-O 3.06Å; I106-M113 PolarHBondContact N-O 3.14Å; I106-M113 PolarHBondContact O-N 3.35Å; M113-R136 HydrophobicContact SD-CB 3.97Å; M113-R136 HydrophobicContact SD-CG 4.29Å; M113-R136 PolarHBondContact SD-NE 2.73Å; M113-R136 VanDerWaalsContact SD-NE 3.42Å; M113-L138 HydrophobicContact CE-CD2 4.32Å
114	S	93.8	Very high	89.3	Confident	77 Å²	77	50.3 Å²	50.3	54%	0.538	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	143.8	173.9	57.7	0	0	0	0	111.3	F104	F104-S114 VanDerWaalsContact O-CA 3.24Å; F104-S114 WeakPolarHBondContact O-CA 3.49Å
115	F	94.2	Very high	88.3	Confident	17 Å²	17	58.3 Å²	58.3	8%	0.075	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	152	174.2	58.2	-91	0	0	0	110.3	V91 F104 I106 V117 V134 R136	V91-F115 HydrophobicContact CG2-CE2 3.76Å; V91-F115 HydrophobicContact CG2-CZ 4.27Å; F104-F115 HydrophobicContact CB-CD2 4.4Å; F104-F115 HydrophobicContact CB-CE1 4.4Å; F104-F115 HydrophobicContact CB-CE2 4.02Å; F104-F115 HydrophobicContact CB-CZ 4.03Å; F104-F115 HydrophobicContact CD2-CE2 4.15Å; F104-F115 HydrophobicContact CG-CE2 4.23Å; F104-F115 HydrophobicContact CG-CZ 4.47Å; F104-F115 PolarHBondContact N-O 2.91Å; F104-F115 PolarHBondContact O-N 3.34Å; I106-F115 HydrophobicContact CD1-CD1 4.17Å; I106-F115 HydrophobicContact CD1-CE1 3.48Å; I106-F115 VanDerWaalsContact CD1-CE1 3.48Å; I106-F115 HydrophobicContact CD1-CZ 4.25Å; F115-V117 HydrophobicContact CD2-CG2 4.22Å; F115-V117 HydrophobicContact CE2-CG2 4.16Å; F115-V134 HydrophobicContact CD2-CG1 3.92Å; F115-V134 HydrophobicContact CE2-CB 4.25Å; F115-V134 HydrophobicContact CE2-CG1 3.76Å; F115-V134 HydrophobicContact CZ-CG1 4.41Å; F115-R136 HydrophobicContact CD1-CG 3.92Å; F115-R136 HydrophobicContact CE1-CB 4.17Å; F115-R136 HydrophobicContact CE1-CG 3.56Å; F115-R136 HydrophobicContact CZ-CG 3.92Å
116	Q	93.2	Very high	87.5	Confident	80 Å²	80	62.5 Å²	62.5	37%	0.374	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	153.9	174.6	58.4	165.2	79.7	0	0	111.2	P101 I102 P118 L119	P101-Q116 HydrophobicContact CB-CB 4.05Å; P101-Q116 HydrophobicContact CG-CB 4.37Å; I102-Q116 CarbonylContact O-C 3.59Å; I102-Q116 WeakPolarHBondContact O-CA 3.31Å; Q116-P118 PolarHBondContact NE2-O 3Å; Q116-P118 CarbonylContact O-C 3.55Å; Q116-L119 VanDerWaalsContact O-CA 3.28Å; Q116-L119 WeakPolarHBondContact O-CA 3.2Å; Q116-L119 PolarHBondContact O-N 3Å
117	V	92.3	Very high	86.9	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	125	167.4	-172.2	0	0	0	0	108.9	V91 V93 P101 I102 F104 F115 K132 V134	V91-V117 HydrophobicContact CG2-CG2 3.76Å; V93-V117 HydrophobicContact CB-CG1 3.87Å; V93-V117 HydrophobicContact CG2-CB 3.97Å; V93-V117 HydrophobicContact CG2-CG1 3.46Å; V93-V117 VanDerWaalsContact CG2-CG1 3.46Å; P101-V117 WeakPolarHBondContact CA-O 3.4Å; P101-V117 VanDerWaalsContact CB-O 3.31Å; P101-V117 WeakPolarHBondContact CB-O 3.24Å; I102-V117 PolarHBondContact N-O 3.38Å; I102-V117 PolarHBondContact O-N 3.19Å; F104-V117 HydrophobicContact CD2-CG2 3.74Å; F104-V117 HydrophobicContact CE2-CB 4.1Å; F104-V117 HydrophobicContact CE2-CG2 3.58Å; F115-V117 HydrophobicContact CD2-CG2 4.22Å; F115-V117 HydrophobicContact CE2-CG2 4.16Å; V117-K132 WeakPolarHBondContact CG1-O 3.48Å; V117-V134 HydrophobicContact CG2-CG2 4.1Å
118	P	90.8	Very high	86.6	Confident	22 Å²	22	62.7 Å²	62.7	14%	0.143	31%	0.307	C	S	.	.	S	Bend	cis	-65	136.7	0.7	27.3	-34.8	0	0	0	113.1	Q116 I120 P130 Y131	Q116-P118 PolarHBondContact NE2-O 3Å; Q116-P118 CarbonylContact O-C 3.55Å; P118-I120 HydrophobicContact CB-CD1 4.35Å; P118-I120 HydrophobicContact CG-CD1 4.34Å; P118-I120 PolarHBondContact O-N 3.18Å; P118-P130 HydrophobicContact CB-CB 4.09Å; P118-Y131 CarbonylContact C-O 3.49Å; P118-Y131 VanDerWaalsContact CA-O 3.27Å; P118-Y131 WeakPolarHBondContact CA-O 3.32Å
119	L	91.7	Very high	86.6	Confident	18 Å²	18	61.6 Å²	61.6	9%	0.094	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	117.1	174.4	174.6	64.5	0	0	0	108	Q116 L121 Y131 V134	Q116-L119 VanDerWaalsContact O-CA 3.28Å; Q116-L119 WeakPolarHBondContact O-CA 3.2Å; Q116-L119 PolarHBondContact O-N 3Å; L119-L121 HydrophobicContact CD1-CD2 4.37Å; L119-L121 HydrophobicContact CD2-CD2 4.15Å; L119-L121 HydrophobicContact CD2-CG 4.4Å; L119-L121 HydrophobicContact CG-CD2 4.08Å; L119-L121 HydrophobicContact CG-CG 4.27Å; L119-Y131 PolarHBondContact N-O 2.72Å; L119-Y131 PolarHBondContact O-N 3.41Å; L119-V134 HydrophobicContact CB-CG2 3.72Å; L119-V134 HydrophobicContact CD2-CG1 3.95Å; L119-V134 HydrophobicContact CD2-CG2 4.27Å
120	I	89.9	Confident	87	Confident	53 Å²	53	58.4 Å²	58.4	27%	0.272	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	106.8	179.1	-49.3	-55	0	0	0	109.1	P118 K128 Y129 P130 L292	P118-I120 HydrophobicContact CB-CD1 4.35Å; P118-I120 HydrophobicContact CG-CD1 4.34Å; P118-I120 PolarHBondContact O-N 3.18Å; I120-K128 HydrophobicContact CG2-CB 3.9Å; I120-K128 HydrophobicContact CG2-CG 4.13Å; I120-Y129 WeakPolarHBondContact CA-O 3.34Å; I120-P130 HydrophobicContact CD1-CB 3.67Å; I120-L292 HydrophobicContact CD1-CD2 4.35Å
121	L	90.6	Very high	87.5	Confident	7 Å²	7	52.9 Å²	52.9	4%	0.037	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	152.7	169.6	-59.1	179.3	0	0	0	109.9	L119 Y129 Y131 P190 L234 T273	L119-L121 HydrophobicContact CD1-CD2 4.37Å; L119-L121 HydrophobicContact CD2-CD2 4.15Å; L119-L121 HydrophobicContact CD2-CG 4.4Å; L119-L121 HydrophobicContact CG-CD2 4.08Å; L119-L121 HydrophobicContact CG-CG 4.27Å; L121-Y129 PolarHBondContact N-O 2.91Å; L121-Y129 PolarHBondContact O-N 3.24Å; L121-Y131 HydrophobicContact CB-CE2 4.16Å; L121-Y131 HydrophobicContact CD1-CD2 4.06Å; L121-Y131 HydrophobicContact CD1-CE2 3.8Å; L121-Y131 HydrophobicContact CG-CD2 4.19Å; L121-Y131 HydrophobicContact CG-CE2 4.13Å; L121-P190 HydrophobicContact CD1-CB 3.6Å; L121-P190 VanDerWaalsContact CD1-O 3.3Å; L121-P190 WeakPolarHBondContact CD1-O 3.39Å; L121-L234 HydrophobicContact CD2-CD2 4.25Å; L121-T273 HydrophobicContact CB-CG2 3.59Å; L121-T273 HydrophobicContact CD1-CG2 3.96Å; L121-T273 HydrophobicContact CG-CG2 4.44Å
122	R	87.3	Confident	87.8	Confident	141 Å²	141	55.3 Å²	55.3	53%	0.532	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	124.2	-179.2	-59	-168.5	-165.5	-177.5	3.8	111.3	R127	R122-R127 VanDerWaalsContact CA-O 3.25Å; R122-R127 WeakPolarHBondContact CA-O 3.01Å
123	G	79.5	Confident	87.9	Confident	17 Å²	17	54.5 Å²	54.5	18%	0.175	26%	0.26	C	S	.	.			trans	-86.5	-159.3	171.2	0	0	0	0	0	112.6	R127 E274	G123-R127 PolarHBondContact N-O 3.26Å; G123-E274 WeakPolarHBondContact CA-OE2 3.23Å
124	L	77	Confident	88	Confident	66 Å²	66	52.8 Å²	52.8	35%	0.346	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-57.6	156.7	167.9	-92.7	76.5	0	0	0	110.9	Q126 R127 E274 E276 L282	L124-Q126 PolarHBondContact O-N 3.14Å; L124-R127 WeakPolarHBondContact O-CB 3.37Å; L124-R127 WeakPolarHBondContact O-CG 3.44Å; L124-R127 PolarHBondContact O-N 3.05Å; L124-E274 PolarHBondContact N-OE2 2.71Å; L124-E276 HydrophobicContact CD2-CG 3.91Å; L124-L282 HydrophobicContact CD2-CD1 4.49Å
125	Y	75.1	Confident	88.1	Confident	168 Å²	168	49.1 Å²	49.1	66%	0.659	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	53.1	24.2	178.3	-49	-70.5	0	0	0	114.6	R127 L282	Y125-R127 PolarHBondContact O-N 3.11Å; Y125-L282 HydrophobicContact CE2-CD1 4.07Å
126	Q	79.4	Confident	88.1	Confident	118 Å²	118	49.2 Å²	49.2	55%	0.551	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	62.4	19.5	-176.1	-56.6	-68.3	-48.9	0	0	115.2	L124 K128	L124-Q126 PolarHBondContact O-N 3.14Å; Q126-K128 PolarHBondContact O-N 3.37Å
127	R	81.7	Confident	88.1	Confident	35 Å²	35	45.5 Å²	45.5	13%	0.132	21%	0.208	C	C	.	.			trans	-53.9	133.4	173.4	-72.5	170.6	167.1	-163.7	-7	111.2	R122 G123 L124 Y125 Y129 E274 L282 R283 I293	R122-R127 VanDerWaalsContact CA-O 3.25Å; R122-R127 WeakPolarHBondContact CA-O 3.01Å; G123-R127 PolarHBondContact N-O 3.26Å; L124-R127 WeakPolarHBondContact O-CB 3.37Å; L124-R127 WeakPolarHBondContact O-CG 3.44Å; L124-R127 PolarHBondContact O-N 3.05Å; Y125-R127 PolarHBondContact O-N 3.11Å; R127-Y129 HydrophobicContact CB-CE2 3.79Å; R127-E274 WeakPolarHBondContact CD-OE1 3.34Å; R127-E274 IonicContact CZ-OE1 3.5Å; R127-E274 IonicContact NE-OE1 2.71Å; R127-E274 IonicContact NH1-OE1 2.6Å; R127-E274 PolarHBondContact NH1-OE1 2.85Å; R127-L282 VanDerWaalsContact NH1-CD2 3.35Å; R127-R283 PolarHBondContact NH1-O 3.3Å; R127-R283 PolarHBondContact NH2-O 3.31Å; R127-I293 HydrophobicContact CB-CD1 4.17Å; R127-I293 HydrophobicContact CG-CD1 3.99Å
128	K	86.4	Confident	88	Confident	54 Å²	54	45.6 Å²	45.6	24%	0.235	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	121.9	-172.1	-66.7	169.7	179.2	173.5	0	111.3	I120 Q126 D290 L292 I293	I120-K128 HydrophobicContact CG2-CB 3.9Å; I120-K128 HydrophobicContact CG2-CG 4.13Å; Q126-K128 PolarHBondContact O-N 3.37Å; K128-D290 IonicContact NZ-OD1 3.94Å; K128-D290 PolarHBondContact NZ-OD1 3.45Å; K128-L292 HydrophobicContact CB-CD2 3.7Å; K128-L292 HydrophobicContact CD-CD2 4.27Å; K128-I293 PolarHBondContact O-N 2.91Å
129	Y	87.9	Confident	87.8	Confident	10 Å²	10	44.9 Å²	44.9	4%	0.039	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	114.1	-179.8	-63.9	-80.2	0	0	0	110.6	I120 L121 R127 Y131 T273 E274 I293 A295	I120-Y129 WeakPolarHBondContact CA-O 3.34Å; L121-Y129 PolarHBondContact N-O 2.91Å; L121-Y129 PolarHBondContact O-N 3.24Å; R127-Y129 HydrophobicContact CB-CE2 3.79Å; Y129-Y131 WeakPolarHBondContact O-CD2 3.27Å; Y129-T273 HydrophobicContact CD2-CG2 4.17Å; Y129-E274 HydrophobicContact CE2-CG 3.98Å; Y129-E274 WeakPolarHBondContact OH-CG 3.36Å; Y129-E274 PolarHBondContact OH-OE1 3.3Å; Y129-E274 VanDerWaalsContact OH-OE1 3.11Å; Y129-I293 HydrophobicContact CD1-CB 4.1Å; Y129-I293 HydrophobicContact CD1-CG2 4.35Å; Y129-I293 VanDerWaalsContact CD1-O 3.27Å; Y129-I293 WeakPolarHBondContact CD1-O 3.44Å; Y129-I293 HydrophobicContact CE1-CB 3.73Å; Y129-I293 HydrophobicContact CE1-CG2 3.67Å; Y129-A295 HydrophobicContact CD1-CB 3.82Å
130	P	89.4	Confident	87.2	Confident	42 Å²	42	45 Å²	45	27%	0.273	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	126.4	-178.5	34.2	-31.6	0	0	0	112.6	P118 I120 L292 I293	P118-P130 HydrophobicContact CB-CB 4.09Å; I120-P130 HydrophobicContact CD1-CB 3.67Å; P130-L292 HydrophobicContact CG-CB 4.26Å; P130-L292 HydrophobicContact CG-CD1 4.49Å; P130-I293 VanDerWaalsContact CD-O 3.28Å; P130-I293 WeakPolarHBondContact CD-O 3.3Å
131	Y	91.3	Very high	86.3	Confident	22 Å²	22	43.1 Å²	43.1	9%	0.086	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	125.6	177.4	-62.4	-95.5	0	0	0	111.5	P118 L119 L121 Y129 P190 T273 A295	P118-Y131 CarbonylContact C-O 3.49Å; P118-Y131 VanDerWaalsContact CA-O 3.27Å; P118-Y131 WeakPolarHBondContact CA-O 3.32Å; L119-Y131 PolarHBondContact N-O 2.72Å; L119-Y131 PolarHBondContact O-N 3.41Å; L121-Y131 HydrophobicContact CB-CE2 4.16Å; L121-Y131 HydrophobicContact CD1-CD2 4.06Å; L121-Y131 HydrophobicContact CD1-CE2 3.8Å; L121-Y131 HydrophobicContact CG-CD2 4.19Å; L121-Y131 HydrophobicContact CG-CE2 4.13Å; Y129-Y131 WeakPolarHBondContact O-CD2 3.27Å; Y131-P190 HydrophobicContact CE1-CB 4.16Å; Y131-P190 HydrophobicContact CE1-CG 4.31Å; Y131-P190 HydrophobicContact CE2-CB 4.29Å; Y131-T273 HydrophobicContact CE2-CG2 4.37Å; Y131-A295 HydrophobicContact CE1-CB 4.1Å; Y131-A295 WeakPolarHBondContact OH-CB 3.46Å
132	K	90.3	Very high	85.3	Confident	79 Å²	79	48 Å²	48	34%	0.343	23%	0.228	S	C	.	.	S	Bend	trans	-88.3	-42.1	-179.7	-59.2	-175.2	-177.8	-172.7	0	112.5	Q95 Q96 V117	Q95-K132 PolarHBondContact O-NZ 3.02Å; Q96-K132 PolarHBondContact O-NZ 3.03Å; V117-K132 WeakPolarHBondContact CG1-O 3.48Å
133	H	92.3	Very high	84.6	Confident	82 Å²	82	42.4 Å²	42.4	38%	0.38	21%	0.21	S	C	.	.	S	Bend	trans	-86.2	117.7	173.5	-166.3	34.5	0	0	0	109.7	T90 V91 D92 S191 Q192	T90-H133 WeakPolarHBondContact CG2-CE1 3.29Å; V91-H133 WeakPolarHBondContact O-CA 3.41Å; V91-H133 PolarHBondContact O-ND1 3.05Å; D92-H133 PolarHBondContact OD1-N 3.11Å; H133-S191 WeakPolarHBondContact O-CB 3.28Å; H133-S191 PolarHBondContact O-OG 2.71Å; H133-Q192 PolarHBondContact CD2-NE2 3.4Å; H133-Q192 PolarHBondContact CE1-NE2 2.99Å; H133-Q192 VanDerWaalsContact CG-NE2 3.34Å; H133-Q192 PolarHBondContact NE2-NE2 2.91Å
134	V	94.5	Very high	84.1	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	132.7	-171.8	-178.4	0	0	0	0	109.9	T90 V91 F115 V117 L119 R136	T90-V134 WeakPolarHBondContact CA-O 3.48Å; V91-V134 HydrophobicContact CG2-CB 3.94Å; V91-V134 PolarHBondContact N-O 3.33Å; V91-V134 PolarHBondContact O-N 3.25Å; F115-V134 HydrophobicContact CD2-CG1 3.92Å; F115-V134 HydrophobicContact CE2-CB 4.25Å; F115-V134 HydrophobicContact CE2-CG1 3.76Å; F115-V134 HydrophobicContact CZ-CG1 4.41Å; V117-V134 HydrophobicContact CG2-CG2 4.1Å; L119-V134 HydrophobicContact CB-CG2 3.72Å; L119-V134 HydrophobicContact CD2-CG1 3.95Å; L119-V134 HydrophobicContact CD2-CG2 4.27Å; V134-R136 HydrophobicContact CG1-CG 4.15Å
135	G	95.3	Very high	83.9	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	122.4	-175.9	0	0	0	0	0	111.1	S191	G135-S191 PolarHBondContact N-O 3.14Å
136	R	94.3	Very high	83.7	Confident	20 Å²	20	47.9 Å²	47.9	8%	0.075	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	120.1	-172	-60.9	-65.5	-63.2	161.7	7.6	110.5	R88 V89 M113 F115 V134 D233 L234	R88-R136 WeakPolarHBondContact CA-O 3.45Å; V89-R136 PolarHBondContact N-O 3.12Å; V89-R136 PolarHBondContact O-N 2.86Å; M113-R136 HydrophobicContact SD-CB 3.97Å; M113-R136 HydrophobicContact SD-CG 4.29Å; M113-R136 PolarHBondContact SD-NE 2.73Å; M113-R136 VanDerWaalsContact SD-NE 3.42Å; F115-R136 HydrophobicContact CD1-CG 3.92Å; F115-R136 HydrophobicContact CE1-CB 4.17Å; F115-R136 HydrophobicContact CE1-CG 3.56Å; F115-R136 HydrophobicContact CZ-CG 3.92Å; V134-R136 HydrophobicContact CG1-CG 4.15Å; R136-D233 IonicContact CZ-OD1 3.63Å; R136-D233 IonicContact CZ-OD2 3.48Å; R136-D233 VanDerWaalsContact CZ-OD2 3.23Å; R136-D233 IonicContact NH1-OD1 2.7Å; R136-D233 PolarHBondContact NH1-OD1 2.93Å; R136-D233 IonicContact NH1-OD2 3.52Å; R136-D233 PolarHBondContact NH1-OD2 2.86Å; R136-D233 IonicContact NH2-OD1 2.71Å; R136-D233 PolarHBondContact NH2-OD1 3.36Å; R136-D233 IonicContact NH2-OD2 3.33Å; R136-D233 PolarHBondContact NH2-OD2 2.63Å; R136-L234 VanDerWaalsContact NH1-CD2 3.31Å
137	T	93.2	Very high	83.7	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	130.9	171.2	-59.1	0	0	0	0	109.2	V87 R88 V173 F176 F195	V87-T137 WeakPolarHBondContact O-CA 3.49Å; R88-T137 PolarHBondContact NH1-OG1 2.96Å; T137-V173 HydrophobicContact CG2-CG2 4.47Å; T137-F176 HydrophobicContact CG2-CE2 4.07Å; T137-F195 HydrophobicContact CG2-CE1 4.02Å; T137-F195 HydrophobicContact CG2-CE2 4Å; T137-F195 HydrophobicContact CG2-CZ 3.68Å; T137-F195 WeakPolarHBondContact O-CE1 3.2Å; T137-F195 WeakPolarHBondContact O-CZ 3.27Å
138	L	90.9	Very high	83.7	Confident	3 Å²	3	46.2 Å²	46.2	2%	0.016	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	128.1	-177.8	-57.4	-176.4	0	0	0	110.5	V87 V89 I106 M113 Q140 F152	V87-L138 HydrophobicContact CB-CD1 4.35Å; V87-L138 HydrophobicContact CG1-CD1 3.89Å; V87-L138 HydrophobicContact CG1-CG 4.42Å; V87-L138 PolarHBondContact O-N 2.74Å; V89-L138 HydrophobicContact CG2-CD1 3.99Å; V89-L138 HydrophobicContact CG2-CD2 4.06Å; V89-L138 HydrophobicContact CG2-CG 4.09Å; I106-L138 HydrophobicContact CB-CD2 4.36Å; I106-L138 HydrophobicContact CG1-CD2 4.43Å; I106-L138 HydrophobicContact CG2-CD1 3.92Å; I106-L138 HydrophobicContact CG2-CD2 3.91Å; M113-L138 HydrophobicContact CE-CD2 4.32Å; L138-Q140 PolarHBondContact O-N 2.82Å; L138-F152 HydrophobicContact CD1-CD2 4.32Å; L138-F152 HydrophobicContact CD1-CE2 4.22Å; L138-F152 HydrophobicContact CD1-CZ 4.47Å
139	C	86.1	Confident	83.6	Confident	7 Å²	7	47.1 Å²	47.1	5%	0.047	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-69.1	128.1	169.6	-174.3	0	0	0	0	109.5	Q108 C229 V231	Q108-C139 PolarHBondContact NE2-O 2.71Å; C139-C229 HydrophobicContact CB-CB 3.85Å; C139-C229 WeakPolarHBondContact CB-SG 3.43Å; C139-C229 WeakPolarHBondContact SG-CA 3.24Å; C139-C229 WeakPolarHBondContact SG-CB 3.48Å; C139-C229 CovalentContact SG-SG 2.04Å; C139-C229 PolarHBondContact SG-SG 2.7Å; C139-V231 HydrophobicContact CB-CG2 4.07Å
140	Q	78.1	Confident	83.4	Confident	21 Å²	21	47.6 Å²	47.6	10%	0.098	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-100.1	123.6	177.2	-62.4	-161.7	-6.8	0	0	110.5	H77 I79 E85 L138	H77-Q140 PolarHBondContact CD2-NE2 2.88Å; H77-Q140 VanDerWaalsContact CD2-NE2 3.28Å; H77-Q140 PolarHBondContact NE2-NE2 3.37Å; I79-Q140 HydrophobicContact CD1-CB 4.46Å; E85-Q140 PolarHBondContact O-NE2 3.13Å; E85-Q140 VanDerWaalsContact O-NE2 3.11Å; E85-Q140 PolarHBondContact O-OE1 3.1Å; L138-Q140 PolarHBondContact O-N 2.82Å
141	P	71.6	Confident	83.3	Confident	13 Å²	13	52.3 Å²	52.3	8%	0.084	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-69.3	137.6	172.2	29.1	-33.6	0	0	0	110.2	Q110 T143	Q110-P141 HydrophobicContact CB-CB 4.48Å; Q110-P141 HydrophobicContact CB-CG 4.27Å; Q110-P141 VanDerWaalsContact OE1-CB 3.23Å; P141-T143 PolarHBondContact O-N 3.36Å
142	P	70.9	Confident	83.3	Confident	108 Å²	108	51.8 Å²	51.8	70%	0.701	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-66.5	124	-177.3	26	-33.9	0	0	0	111.6
143	T	70.6	Confident	83.5	Confident	25 Å²	25	50.5 Å²	50.5	15%	0.153	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-83	147.6	174.3	-168.4	0	0	0	0	112	I79 P141 A145 E148	I79-T143 HydrophobicContact CB-CG2 4.36Å; I79-T143 HydrophobicContact CG2-CG2 3.91Å; P141-T143 PolarHBondContact O-N 3.36Å; T143-A145 PolarHBondContact OG1-N 3.1Å; T143-E148 WeakPolarHBondContact CB-OE2 3.26Å; T143-E148 HydrophobicContact CG2-CB 4.39Å; T143-E148 PolarHBondContact OG1-OE2 2.91Å
144	R	69.4	Low	83.7	Confident	241 Å²	241	46.6 Å²	46.6	91%	0.909	25%	0.248	S	C	*	.	S	Bend	trans	-88.6	-17.1	175	-65.3	-175.6	179.2	-174.5	-0.7	113
145	A	72.6	Confident	83.7	Confident	43 Å²	43	47.4 Å²	47.4	36%	0.355	25%	0.252	S	S	.	.	S	Bend	trans	-77	159.1	178.2	0	0	0	0	0	111.5	T143 S147 E148	T143-A145 PolarHBondContact OG1-N 3.1Å; A145-S147 VanDerWaalsContact C-N 3.3Å; A145-E148 HydrophobicContact CB-CB 4.33Å
146	A	72.1	Confident	83.7	Confident	81 Å²	81	47.4 Å²	47.4	67%	0.669	25%	0.252	S	S	*	.	S	Bend	trans	-65.7	-36.3	173.9	0	0	0	0	0	111.8	S80 R81	S80-A146 WeakPolarHBondContact CA-O 3.3Å; S80-A146 PolarHBondContact OG-O 3.49Å; S80-A146 VanDerWaalsContact OG-O 3.13Å; R81-A146 PolarHBondContact N-O 3.08Å
147	S	79.6	Confident	83.7	Confident	68 Å²	68	48.1 Å²	48.1	48%	0.476	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	143.4	168.4	-173.3	0	0	0	0	109.5	T78 I79 A145	T78-S147 WeakPolarHBondContact CG2-OG 3.49Å; I79-S147 CarbonylContact O-C 3.52Å; I79-S147 VanDerWaalsContact O-CA 3.29Å; I79-S147 WeakPolarHBondContact O-CA 3.31Å; I79-S147 PolarHBondContact O-OG 3.45Å; A145-S147 VanDerWaalsContact C-N 3.3Å
148	E	81.8	Confident	83.6	Confident	50 Å²	50	48.5 Å²	48.5	23%	0.234	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	121.7	177	-176.4	178.8	-152	0	0	110.6	I79 K109 T143 A145 Q150	I79-E148 PolarHBondContact N-O 2.84Å; I79-E148 PolarHBondContact O-N 2.89Å; K109-E148 IonicContact NZ-OE1 2.66Å; K109-E148 PolarHBondContact NZ-OE1 3.4Å; K109-E148 IonicContact NZ-OE2 3.23Å; K109-E148 PolarHBondContact NZ-OE2 2.77Å; T143-E148 WeakPolarHBondContact CB-OE2 3.26Å; T143-E148 HydrophobicContact CG2-CB 4.39Å; T143-E148 PolarHBondContact OG1-OE2 2.91Å; A145-E148 HydrophobicContact CB-CB 4.33Å; E148-Q150 HydrophobicContact CG-CG 3.91Å; E148-Q150 PolarHBondContact O-N 3.35Å; E148-Q150 PolarHBondContact OE2-NE2 2.8Å
149	T	83.3	Confident	83.5	Confident	73 Å²	73	55 Å²	55	45%	0.448	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	109.4	169.2	-48.9	0	0	0	0	109.5	N76 T78	N76-T149 HydrophobicContact CB-CG2 4.41Å; T78-T149 PolarHBondContact OG1-OG1 3.28Å
150	Q	83.8	Confident	83.6	Confident	20 Å²	20	55.4 Å²	55.4	9%	0.093	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	141.4	174.6	-59.2	-169.9	7.5	0	0	110	H77 I79 K109 E148	H77-Q150 PolarHBondContact N-O 2.86Å; H77-Q150 PolarHBondContact O-N 3.11Å; I79-Q150 HydrophobicContact CD1-CG 4.34Å; K109-Q150 HydrophobicContact CD-CG 4.08Å; E148-Q150 HydrophobicContact CG-CG 3.91Å; E148-Q150 PolarHBondContact O-N 3.35Å; E148-Q150 PolarHBondContact OE2-NE2 2.8Å
151	Y	87.4	Confident	83.9	Confident	142 Å²	142	59.1 Å²	59.1	56%	0.557	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	142.3	171.1	-66.3	-90	0	0	0	110.1	F75 N76	F75-Y151 WeakPolarHBondContact O-CA 3.48Å; N76-Y151 HydrophobicContact CB-CD1 4.06Å; N76-Y151 HydrophobicContact CB-CE1 3.74Å
152	F	91.7	Very high	84.5	Confident	11 Å²	11	64.3 Å²	64.3	5%	0.048	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	155.3	164.3	70.3	-93.5	0	0	0	110.4	F57 F75 H77 V87 I106 R107 Q108 L138 V154 V170	F57-F152 HydrophobicContact CE1-CE1 4.33Å; F57-F152 HydrophobicContact CE1-CZ 4.21Å; F57-F152 AromaticContact CZ-CE1 3.89Å; F57-F152 HydrophobicContact CZ-CE1 3.89Å; F57-F152 HydrophobicContact CZ-CZ 4.08Å; F75-F152 HydrophobicContact CB-CD1 4.14Å; F75-F152 HydrophobicContact CB-CD2 4.2Å; F75-F152 HydrophobicContact CB-CE1 3.69Å; F75-F152 HydrophobicContact CB-CE2 3.74Å; F75-F152 HydrophobicContact CB-CG 4.38Å; F75-F152 HydrophobicContact CB-CZ 3.45Å; F75-F152 VanDerWaalsContact CB-CZ 3.45Å; F75-F152 HydrophobicContact CD1-CZ 4.41Å; F75-F152 HydrophobicContact CD2-CD2 4.09Å; F75-F152 AromaticContact CD2-CE2 3.48Å; F75-F152 HydrophobicContact CD2-CE2 3.48Å; F75-F152 VanDerWaalsContact CD2-CE2 3.48Å; F75-F152 AromaticContact CD2-CZ 3.97Å; F75-F152 HydrophobicContact CD2-CZ 3.97Å; F75-F152 HydrophobicContact CE2-CE2 4.25Å; F75-F152 HydrophobicContact CG-CD2 4.49Å; F75-F152 HydrophobicContact CG-CE1 4.44Å; F75-F152 AromaticContact CG-CE2 3.75Å; F75-F152 HydrophobicContact CG-CE2 3.75Å; F75-F152 AromaticContact CG-CZ 3.71Å; F75-F152 HydrophobicContact CG-CZ 3.71Å; F75-F152 PolarHBondContact N-O 3.29Å; F75-F152 PolarHBondContact O-N 3.48Å; F75-F152 VanDerWaalsContact O-N 3.1Å; H77-F152 HydrophobicContact CB-CD1 4.29Å; H77-F152 HydrophobicContact CB-CE1 4.06Å; V87-F152 HydrophobicContact CG1-CE1 4.26Å; V87-F152 HydrophobicContact CG1-CZ 3.87Å; I106-F152 HydrophobicContact CG2-CD2 4.23Å; R107-F152 VanDerWaalsContact O-CA 3.24Å; R107-F152 WeakPolarHBondContact O-CA 3.42Å; R107-F152 WeakPolarHBondContact O-CB 3.46Å; Q108-F152 HydrophobicContact CG-CB 4.24Å; L138-F152 HydrophobicContact CD1-CD2 4.32Å; L138-F152 HydrophobicContact CD1-CE2 4.22Å; L138-F152 HydrophobicContact CD1-CZ 4.47Å; F152-V154 HydrophobicContact CD2-CG2 4.4Å; F152-V154 HydrophobicContact CE2-CG2 4.25Å; F152-V170 HydrophobicContact CE2-CG1 4.12Å; F152-V170 HydrophobicContact CZ-CG1 3.85Å
153	F	94.4	Very high	85.2	Confident	52 Å²	52	64 Å²	64	23%	0.228	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	137.9	-175.8	-54.9	-90.2	0	0	0	109.7	I72 Y73 A74 I106 R107	I72-F153 HydrophobicContact CG2-CB 4.23Å; I72-F153 HydrophobicContact CG2-CD1 4.07Å; Y73-F153 CarbonylContact O-C 3.55Å; Y73-F153 VanDerWaalsContact O-CA 3.27Å; Y73-F153 WeakPolarHBondContact O-CA 3.44Å; A74-F153 HydrophobicContact CB-CD1 3.71Å; A74-F153 HydrophobicContact CB-CE1 3.66Å; I106-F153 CarbonylContact C-O 3.55Å; I106-F153 VanDerWaalsContact CA-O 3.29Å; I106-F153 WeakPolarHBondContact CA-O 3.38Å; R107-F153 HydrophobicContact CB-CB 4.43Å; R107-F153 PolarHBondContact N-O 3.32Å; R107-F153 PolarHBondContact O-N 2.91Å
154	V	96.1	Very high	86	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	106.4	168.6	-174.9	0	0	0	0	107.5	Y73 F75 F104 I106 F152 V156 L168	Y73-V154 PolarHBondContact N-O 2.81Å; Y73-V154 PolarHBondContact O-N 2.92Å; F75-V154 HydrophobicContact CD2-CG2 4.27Å; F75-V154 HydrophobicContact CE2-CB 4.47Å; F75-V154 HydrophobicContact CE2-CG2 3.87Å; F104-V154 HydrophobicContact CD1-CG1 4.37Å; I106-V154 HydrophobicContact CG1-CG1 4.37Å; I106-V154 HydrophobicContact CG1-CG2 4.14Å; F152-V154 HydrophobicContact CD2-CG2 4.4Å; F152-V154 HydrophobicContact CE2-CG2 4.25Å; V154-V156 HydrophobicContact CG1-CG2 4.35Å; V154-L168 HydrophobicContact CB-CD2 4.38Å; V154-L168 HydrophobicContact CG1-CD1 4.28Å; V154-L168 HydrophobicContact CG1-CD2 4.05Å
155	D	95.1	Very high	87	Confident	16 Å²	16	55.4 Å²	55.4	9%	0.086	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	135.9	173.3	-49.5	-34.8	0	0	0	109.2	I72 F104 V105 R107	I72-D155 HydrophobicContact CG1-CB 4.48Å; I72-D155 WeakPolarHBondContact CG1-OD1 3.41Å; I72-D155 WeakPolarHBondContact CG2-OD1 3.4Å; F104-D155 WeakPolarHBondContact CA-O 3.37Å; V105-D155 HydrophobicContact CB-CB 4.26Å; V105-D155 PolarHBondContact N-O 3.26Å; V105-D155 PolarHBondContact O-N 2.82Å; R107-D155 IonicContact CZ-OD1 3.42Å; R107-D155 IonicContact CZ-OD2 2.68Å; R107-D155 IonicContact NE-OD1 3.5Å; R107-D155 PolarHBondContact NE-OD1 3.03Å; R107-D155 IonicContact NE-OD2 2.64Å; R107-D155 PolarHBondContact NE-OD2 2.89Å; R107-D155 IonicContact NH2-OD1 2.72Å; R107-D155 PolarHBondContact NH2-OD1 2.82Å; R107-D155 IonicContact NH2-OD2 2.99Å; R107-D155 PolarHBondContact NH2-OD2 2.95Å
156	V	95.1	Very high	88	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	125	177.7	-167.3	0	0	0	0	109.4	V65 T71 Y73 I102 F104 V154 F166	V65-V156 HydrophobicContact CG1-CG1 4.44Å; T71-V156 PolarHBondContact N-O 2.94Å; T71-V156 VanDerWaalsContact N-O 3.09Å; T71-V156 PolarHBondContact O-N 3.46Å; Y73-V156 HydrophobicContact CD2-CG2 4.19Å; Y73-V156 HydrophobicContact CE2-CG2 3.87Å; I102-V156 HydrophobicContact CG2-CG1 3.52Å; F104-V156 HydrophobicContact CD1-CB 4.41Å; F104-V156 HydrophobicContact CD1-CG1 4.09Å; F104-V156 HydrophobicContact CD1-CG2 3.68Å; F104-V156 HydrophobicContact CE1-CB 4.28Å; F104-V156 HydrophobicContact CE1-CG1 3.64Å; F104-V156 HydrophobicContact CE1-CG2 3.63Å; F104-V156 HydrophobicContact CZ-CG1 3.96Å; V154-V156 HydrophobicContact CG1-CG2 4.35Å; V156-F166 HydrophobicContact CB-CE2 4.39Å; V156-F166 HydrophobicContact CB-CZ 4.06Å; V156-F166 HydrophobicContact CG1-CD1 4.24Å; V156-F166 HydrophobicContact CG1-CD2 4.37Å; V156-F166 HydrophobicContact CG1-CE1 3.89Å; V156-F166 HydrophobicContact CG1-CE2 4.02Å; V156-F166 HydrophobicContact CG1-CG 4.47Å; V156-F166 HydrophobicContact CG1-CZ 3.77Å; V156-F166 HydrophobicContact CG2-CE2 3.98Å; V156-F166 HydrophobicContact CG2-CZ 4.08Å
157	S	93.4	Very high	89.1	Confident	35 Å²	35	52.7 Å²	52.7	25%	0.245	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	163	179.3	63.7	0	0	0	0	111.8	I102 L103	I102-S157 CarbonylContact C-O 3.55Å; I102-S157 WeakPolarHBondContact CA-O 3.16Å; I102-S157 WeakPolarHBondContact CG2-O 3.29Å; L103-S157 PolarHBondContact N-O 3.24Å; L103-S157 PolarHBondContact O-N 3.45Å; L103-S157 VanDerWaalsContact O-N 3.09Å
158	T	91.3	Very high	89.8	Confident	9 Å²	9	49.4 Å²	49.4	6%	0.055	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	167.2	170.5	-174.1	0	0	0	0	109.8	V65 S67 P101 S160	V65-T158 HydrophobicContact CB-CG2 4.47Å; V65-T158 HydrophobicContact CG1-CG2 3.92Å; V65-T158 HydrophobicContact CG2-CG2 4.25Å; S67-T158 WeakPolarHBondContact CA-O 3.43Å; P101-T158 WeakPolarHBondContact O-CB 3.45Å; P101-T158 PolarHBondContact O-OG1 3.19Å; T158-S160 PolarHBondContact OG1-N 2.94Å; T158-S160 VanDerWaalsContact OG1-N 3.12Å
159	L	90.1	Very high	90.5	Very high	140 Å²	140	52.1 Å²	52.1	73%	0.733	26%	0.262	S	S	*	.			trans	-98.2	-2.6	166.5	-59.7	180	0	0	0	112.6	S161	L159-S161 PolarHBondContact O-N 3.48Å
160	S	86.8	Confident	91.1	Very high	16 Å²	16	48.7 Å²	48.7	11%	0.112	24%	0.241	C	C	.	.			trans	-59.8	129.5	176.1	178	0	0	0	0	112.2	K66 S67 T158 Q162	K66-S160 CarbonylContact C-O 3.55Å; S67-S160 PolarHBondContact N-O 3.01Å; T158-S160 PolarHBondContact OG1-N 2.94Å; T158-S160 VanDerWaalsContact OG1-N 3.12Å; S160-Q162 PolarHBondContact OG-N 3.27Å; S160-Q162 VanDerWaalsContact OG-N 3.11Å; S160-Q162 PolarHBondContact OG-O 3.1Å
161	S	84.2	Confident	91.6	Very high	99 Å²	99	48.8 Å²	48.8	69%	0.692	24%	0.244	S	C	*	.	S	Bend	trans	-74.9	-26.6	167.6	53.6	0	0	0	0	112.6	L159	L159-S161 PolarHBondContact O-N 3.48Å
162	Q	84.4	Confident	91.7	Very high	122 Å²	122	47.2 Å²	47.2	57%	0.57	24%	0.237	S	C	*	.	S	Bend	trans	-80.4	155.4	174.7	-56.3	-173	29	0	0	111.2	S160 T164	S160-Q162 PolarHBondContact OG-N 3.27Å; S160-Q162 VanDerWaalsContact OG-N 3.11Å; S160-Q162 PolarHBondContact OG-O 3.1Å; Q162-T164 PolarHBondContact O-N 3.35Å
163	E	85.8	Confident	91.4	Very high	101 Å²	101	47.9 Å²	47.9	47%	0.472	24%	0.242	S	C	.	.			trans	-67.1	127	172.2	-72.7	-172.7	-165.1	0	0	110.7	K66 Q95	K66-E163 HydrophobicContact CD-CG 4.25Å; K66-E163 VanDerWaalsContact CE-CD 3.45Å; K66-E163 WeakPolarHBondContact CE-OE1 3.35Å; K66-E163 HydrophobicContact CG-CG 4.17Å; K66-E163 IonicContact NZ-OE1 2.7Å; K66-E163 PolarHBondContact NZ-OE1 3.47Å; Q95-E163 PolarHBondContact NE2-O 3.42Å
164	T	87.2	Confident	90.5	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.018	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	123.3	175.9	61.6	0	0	0	0	109.7	T64 V65 Q95 L98 Q162	T64-T164 WeakPolarHBondContact CA-O 3.45Å; V65-T164 WeakPolarHBondContact CG1-OG1 3.39Å; V65-T164 PolarHBondContact N-O 2.92Å; V65-T164 PolarHBondContact O-N 3.31Å; V65-T164 VanDerWaalsContact O-N 3.17Å; V65-T164 PolarHBondContact O-OG1 2.92Å; Q95-T164 VanDerWaalsContact OE1-CA 3.25Å; L98-T164 HydrophobicContact CD2-CG2 4.39Å; Q162-T164 PolarHBondContact O-N 3.35Å
165	N	91	Very high	89.9	Confident	82 Å²	82	57.1 Å²	57.1	44%	0.439	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	124.9	-173.9	-66	1.8	0	0	0	109.6	T64 M94	T64-N165 WeakPolarHBondContact CG2-OD1 3.28Å; M94-N165 PolarHBondContact N-O 3.04Å
166	F	92.5	Very high	89.6	Confident	5 Å²	5	56.7 Å²	56.7	2%	0.022	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	150.5	178	71	-82.6	0	0	0	111.8	D63 V65 Y73 D92 V93 I102 F104 V156 L168	D63-F166 HydrophobicContact CB-CE1 3.85Å; D63-F166 HydrophobicContact CB-CE2 4.3Å; D63-F166 HydrophobicContact CB-CZ 3.66Å; D63-F166 PolarHBondContact N-O 3.4Å; D63-F166 VanDerWaalsContact O-CD1 3.26Å; D63-F166 WeakPolarHBondContact O-CD1 3.22Å; D63-F166 PolarHBondContact O-N 3.27Å; V65-F166 HydrophobicContact CB-CD1 4.34Å; V65-F166 HydrophobicContact CB-CE1 4Å; V65-F166 HydrophobicContact CG1-CD1 4.01Å; V65-F166 HydrophobicContact CG1-CE1 4.14Å; Y73-F166 HydrophobicContact CE2-CE2 4.11Å; Y73-F166 HydrophobicContact CE2-CZ 4.14Å; Y73-F166 WeakPolarHBondContact OH-CZ 3.42Å; D92-F166 WeakPolarHBondContact O-CA 3.32Å; V93-F166 HydrophobicContact CG2-CB 4.1Å; I102-F166 HydrophobicContact CD1-CB 3.99Å; I102-F166 HydrophobicContact CD1-CD1 4.49Å; F104-F166 AromaticContact CE1-CD2 3.97Å; F104-F166 HydrophobicContact CE1-CD2 3.97Å; F104-F166 HydrophobicContact CE1-CE2 4.31Å; F104-F166 HydrophobicContact CZ-CB 4.24Å; F104-F166 HydrophobicContact CZ-CD2 4Å; F104-F166 HydrophobicContact CZ-CG 4.23Å; V156-F166 HydrophobicContact CB-CE2 4.39Å; V156-F166 HydrophobicContact CB-CZ 4.06Å; V156-F166 HydrophobicContact CG1-CD1 4.24Å; V156-F166 HydrophobicContact CG1-CD2 4.37Å; V156-F166 HydrophobicContact CG1-CE1 3.89Å; V156-F166 HydrophobicContact CG1-CE2 4.02Å; V156-F166 HydrophobicContact CG1-CG 4.47Å; V156-F166 HydrophobicContact CG1-CZ 3.77Å; V156-F166 HydrophobicContact CG2-CE2 3.98Å; V156-F166 HydrophobicContact CG2-CZ 4.08Å; F166-L168 HydrophobicContact CD2-CB 4.15Å; F166-L168 HydrophobicContact CE2-CB 4.04Å
167	Q	95.4	Very high	89.4	Confident	62 Å²	62	58.9 Å²	58.9	29%	0.29	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131	167.3	-178.9	165	101.7	0	0	108.5	T60 Y61 N62 V91 D92	T60-Q167 HydrophobicContact CG2-CG 3.39Å; Y61-Q167 CarbonylContact O-C 3.54Å; Y61-Q167 WeakPolarHBondContact O-CA 3.47Å; N62-Q167 WeakPolarHBondContact OD1-CG 3.17Å; N62-Q167 PolarHBondContact OD1-NE2 2.73Å; V91-Q167 CarbonylContact C-O 3.55Å; V91-Q167 WeakPolarHBondContact CA-O 3.3Å; D92-Q167 HydrophobicContact CB-CB 4.42Å; D92-Q167 PolarHBondContact N-O 2.74Å; D92-Q167 PolarHBondContact O-N 2.85Å
168	L	95.7	Very high	89.4	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	124.7	173.7	170.2	65.5	0	0	0	109.2	Y61 Y73 V89 V91 V154 F166 V170	Y61-L168 PolarHBondContact N-O 3.41Å; Y61-L168 PolarHBondContact O-N 2.83Å; Y73-L168 HydrophobicContact CD1-CD2 4.18Å; Y73-L168 HydrophobicContact CD2-CD2 3.39Å; Y73-L168 HydrophobicContact CE1-CD2 4.29Å; Y73-L168 HydrophobicContact CE2-CD2 3.53Å; Y73-L168 HydrophobicContact CG-CD2 3.74Å; V89-L168 HydrophobicContact CG1-CD1 3.87Å; V91-L168 HydrophobicContact CG1-CB 4.45Å; V91-L168 HydrophobicContact CG1-CD1 3.6Å; V154-L168 HydrophobicContact CB-CD2 4.38Å; V154-L168 HydrophobicContact CG1-CD1 4.28Å; V154-L168 HydrophobicContact CG1-CD2 4.05Å; F166-L168 HydrophobicContact CD2-CB 4.15Å; F166-L168 HydrophobicContact CE2-CB 4.04Å; L168-V170 HydrophobicContact CD1-CG2 3.94Å; L168-V170 HydrophobicContact CG-CG2 4.35Å
169	R	96.3	Very high	89.5	Confident	107 Å²	107	62.4 Å²	62.4	40%	0.404	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	129.7	171.6	-167.7	180	-168.8	-148	-5.3	109	D58 V59 T60 T90	D58-R169 VanDerWaalsContact O-CZ 3.3Å; D58-R169 PolarHBondContact O-NE 3.5Å; D58-R169 PolarHBondContact O-NH2 3.24Å; V59-R169 WeakPolarHBondContact O-CG 3.37Å; T60-R169 WeakPolarHBondContact OG1-CD 3.32Å; T90-R169 PolarHBondContact N-O 3.14Å; T90-R169 PolarHBondContact O-N 3.29Å; T90-R169 VanDerWaalsContact O-O 3.06Å
170	V	95.1	Very high	89.7	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	110	177.1	-176	0	0	0	0	108.5	F57 D58 F75 V87 R88 V89 F152 L168	F57-V170 CarbonylContact C-O 3.5Å; F57-V170 WeakPolarHBondContact CA-O 3.44Å; F57-V170 HydrophobicContact CD1-CG1 4.4Å; F57-V170 HydrophobicContact CE1-CG1 4.32Å; D58-V170 PolarHBondContact N-O 2.93Å; F75-V170 HydrophobicContact CD1-CB 4.49Å; F75-V170 HydrophobicContact CE1-CB 3.79Å; F75-V170 HydrophobicContact CE1-CG1 4.33Å; F75-V170 HydrophobicContact CE1-CG2 4.05Å; F75-V170 HydrophobicContact CE2-CB 4.36Å; F75-V170 HydrophobicContact CE2-CG2 3.81Å; F75-V170 HydrophobicContact CZ-CB 3.72Å; F75-V170 HydrophobicContact CZ-CG1 4.41Å; F75-V170 HydrophobicContact CZ-CG2 3.43Å; F75-V170 VanDerWaalsContact CZ-CG2 3.43Å; V87-V170 HydrophobicContact CG1-CG1 3.74Å; R88-V170 CarbonylContact O-C 3.5Å; R88-V170 WeakPolarHBondContact O-CA 3.32Å; V89-V170 HydrophobicContact CG1-CG2 4.38Å; V89-V170 HydrophobicContact CG2-CG1 4.12Å; V89-V170 HydrophobicContact CG2-CG2 4.11Å; F152-V170 HydrophobicContact CE2-CG1 4.12Å; F152-V170 HydrophobicContact CZ-CG1 3.85Å; L168-V170 HydrophobicContact CD1-CG2 3.94Å; L168-V170 HydrophobicContact CG-CG2 4.35Å
171	S	93.7	Very high	90.1	Very high	22 Å²	22	62.4 Å²	62.4	15%	0.154	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	161.5	-171.9	60	0	0	0	0	113	D58 R88	D58-S171 WeakPolarHBondContact OD1-CA 3.5Å; D58-S171 WeakPolarHBondContact OD1-CB 3.25Å; R88-S171 PolarHBondContact N-O 3.34Å; R88-S171 PolarHBondContact O-N 2.63Å
172	R	89.7	Confident	90.6	Very high	110 Å²	110	64.8 Å²	64.8	42%	0.415	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	140.2	166.9	-63.5	-178.9	-173.2	81	-1.8	109.8	F57 D58 E85 E174	F57-R172 HydrophobicContact CD1-CG 4.07Å; D58-R172 PolarHBondContact OD1-N 3.09Å; D58-R172 VanDerWaalsContact OD1-N 3.16Å; D58-R172 IonicContact OD2-NH1 2.71Å; D58-R172 PolarHBondContact OD2-NH1 3.29Å; E85-R172 IonicContact OE2-NE 2.97Å; R172-E174 PolarHBondContact O-N 3Å
173	V	86.4	Confident	91.1	Very high	24 Å²	24	64.9 Å²	64.9	15%	0.145	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	103.7	172.4	-176.7	0	0	0	0	108	G86 R88 T137 F176 F196	G86-V173 PolarHBondContact O-N 3.49Å; R88-V173 HydrophobicContact CB-CG2 3.78Å; T137-V173 HydrophobicContact CG2-CG2 4.47Å; V173-F176 HydrophobicContact CB-CB 4.23Å; V173-F176 HydrophobicContact CB-CD2 4.41Å; V173-F176 HydrophobicContact CG1-CB 4.12Å; V173-F176 HydrophobicContact CG1-CD2 4.19Å; V173-F196 HydrophobicContact CG1-CE1 4.07Å
174	E	76	Confident	91.6	Very high	172 Å²	172	62.3 Å²	62.3	80%	0.804	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	140.9	170.9	-63.8	-172.3	-179.4	0	0	110.7	R172 F176	R172-E174 PolarHBondContact O-N 3Å; E174-F176 PolarHBondContact O-N 3.15Å; E174-F176 VanDerWaalsContact O-N 3.12Å
175	S	81.9	Confident	92	Very high	75 Å²	75	65.6 Å²	65.6	52%	0.524	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	34.6	179.4	-57.9	0	0	0	0	115.4	T177	S175-T177 CarbonylContact O-C 3.52Å; S175-T177 PolarHBondContact O-N 3.33Å
176	F	89.4	Confident	92.2	Very high	6 Å²	6	62.7 Å²	62.7	3%	0.026	31%	0.305	C	S	.	.			trans	-53.4	-20.3	177.2	178.9	-110.3	0	0	0	115.3	T84 T137 V173 E174 F195 F196 K197 Y266	T84-F176 HydrophobicContact CG2-CD1 4.08Å; T84-F176 HydrophobicContact CG2-CE1 3.94Å; T137-F176 HydrophobicContact CG2-CE2 4.07Å; V173-F176 HydrophobicContact CB-CB 4.23Å; V173-F176 HydrophobicContact CB-CD2 4.41Å; V173-F176 HydrophobicContact CG1-CB 4.12Å; V173-F176 HydrophobicContact CG1-CD2 4.19Å; E174-F176 PolarHBondContact O-N 3.15Å; E174-F176 VanDerWaalsContact O-N 3.12Å; F176-F195 HydrophobicContact CE2-CD2 4.03Å; F176-F195 HydrophobicContact CE2-CE2 4.06Å; F176-F195 VanDerWaalsContact CE2-O 3.29Å; F176-F195 WeakPolarHBondContact CE2-O 3.2Å; F176-F195 HydrophobicContact CZ-CD2 4.18Å; F176-F195 AromaticContact CZ-CE2 3.98Å; F176-F195 HydrophobicContact CZ-CE2 3.98Å; F176-F196 HydrophobicContact CD2-CD1 4.4Å; F176-K197 HydrophobicContact CD1-CB 4.3Å; F176-K197 HydrophobicContact CE1-CB 3.95Å; F176-K197 HydrophobicContact CZ-CB 4.44Å; F176-K197 PolarHBondContact O-N 3.2Å; F176-Y266 HydrophobicContact CE1-CE1 4.23Å; F176-Y266 HydrophobicContact CZ-CD1 4.41Å; F176-Y266 AromaticContact CZ-CE1 3.77Å; F176-Y266 HydrophobicContact CZ-CE1 3.77Å
177	T	91.2	Very high	92.3	Very high	47 Å²	47	64.5 Å²	64.5	29%	0.288	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-99.8	116.4	170.9	-52.1	0	0	0	0	110.1	S175 K197 V199	S175-T177 CarbonylContact O-C 3.52Å; S175-T177 PolarHBondContact O-N 3.33Å; T177-K197 CarbonylContact C-O 3.56Å; T177-K197 VanDerWaalsContact CA-O 3.29Å; T177-K197 WeakPolarHBondContact CA-O 3.49Å; T177-V199 HydrophobicContact CG2-CG2 4.16Å
178	L	93.8	Very high	92.3	Very high	10 Å²	10	61.7 Å²	61.7	5%	0.052	31%	0.308	C	S	.	.			trans	-62.7	145.5	175.5	-62.4	174.5	0	0	0	111	F184 F196 K197 Y198 V267 V304 V306	L178-F184 HydrophobicContact CD2-CB 3.96Å; L178-F184 HydrophobicContact CD2-CD1 3.66Å; L178-F184 HydrophobicContact CD2-CE1 4.4Å; L178-F184 HydrophobicContact CD2-CG 3.89Å; L178-F196 HydrophobicContact CD1-CB 4.05Å; L178-F196 HydrophobicContact CD2-CB 3.92Å; L178-F196 HydrophobicContact CD2-CG 4.29Å; L178-F196 HydrophobicContact CG-CB 3.74Å; L178-K197 PolarHBondContact N-O 2.71Å; L178-Y198 HydrophobicContact CB-CD2 4.08Å; L178-V267 HydrophobicContact CD1-CB 4.12Å; L178-V267 HydrophobicContact CD1-CG2 3.79Å; L178-V304 HydrophobicContact CD1-CG1 3.87Å; L178-V304 HydrophobicContact CD2-CG1 4.44Å; L178-V306 HydrophobicContact CB-CG2 4.45Å; L178-V306 HydrophobicContact CD1-CG2 4Å
179	Q	93.1	Very high	92.3	Very high	108 Å²	108	62.2 Å²	62.2	51%	0.505	31%	0.312	S	S	.	.			trans	-108.5	142.1	178.6	-67.5	-176.4	-24.1	0	0	110.7	R182	Q179-R182 HydrophobicContact CB-CB 3.95Å; Q179-R182 PolarHBondContact O-N 3.01Å
180	T	94.2	Very high	92.2	Very high	50 Å²	50	57.1 Å²	57.1	31%	0.307	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-60.6	137.8	177.8	-46.7	0	0	0	0	111.1	R182 Y198 V306 P308	T180-R182 PolarHBondContact O-N 3.3Å; T180-Y198 PolarHBondContact OG1-OH 2.96Å; T180-V306 CarbonylContact C-O 3.59Å; T180-V306 VanDerWaalsContact CA-O 3.3Å; T180-V306 WeakPolarHBondContact CA-O 3.49Å; T180-P308 HydrophobicContact CG2-CG 3.96Å
181	D	94.3	Very high	92.1	Very high	105 Å²	105	57.5 Å²	57.5	56%	0.561	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	13.6	-179.4	-60.7	-49	0	0	0	115.8	V306 S307 P308	D181-V306 PolarHBondContact N-O 3.27Å; D181-S307 VanDerWaalsContact OD1-CA 3.24Å; D181-S307 WeakPolarHBondContact OD1-CA 3.33Å; D181-S307 WeakPolarHBondContact OD1-CB 3.29Å; D181-P308 WeakPolarHBondContact OD1-CD 3.47Å; D181-P308 VanDerWaalsContact OD2-CD 3.3Å; D181-P308 WeakPolarHBondContact OD2-CD 3.48Å
182	R	95.4	Very high	92.2	Very high	149 Å²	149	58.1 Å²	58.1	56%	0.562	30%	0.296	S	S	*	.			trans	-105.7	128.2	176.6	-171.2	176.8	179	173.5	0.5	111.1	Q179 T180	Q179-R182 HydrophobicContact CB-CB 3.95Å; Q179-R182 PolarHBondContact O-N 3.01Å; T180-R182 PolarHBondContact O-N 3.3Å
183	K	95.1	Very high	92.5	Very high	124 Å²	124	53 Å²	53	54%	0.539	28%	0.276	S	S	.	.			trans	-65.4	128.2	169.5	-172.6	-179.5	-179.6	-179.9	0	110.7	D303 V305	K183-D303 WeakPolarHBondContact CE-OD1 3.45Å; K183-D303 WeakPolarHBondContact CE-OD2 3.22Å; K183-D303 IonicContact NZ-OD1 2.7Å; K183-D303 PolarHBondContact NZ-OD1 3.05Å; K183-D303 IonicContact NZ-OD2 3.79Å; K183-D303 PolarHBondContact NZ-OD2 2.9Å; K183-V305 HydrophobicContact CB-CG2 4.26Å; K183-V305 HydrophobicContact CG-CG2 4.48Å
184	F	95.2	Very high	92.9	Very high	48 Å²	48	53 Å²	53	21%	0.211	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	122.5	174.3	-178.3	-97.6	0	0	0	110.1	L178 F186 F196 V304	L178-F184 HydrophobicContact CD2-CB 3.96Å; L178-F184 HydrophobicContact CD2-CD1 3.66Å; L178-F184 HydrophobicContact CD2-CE1 4.4Å; L178-F184 HydrophobicContact CD2-CG 3.89Å; F184-F186 AromaticContact CD1-CD1 3.8Å; F184-F186 HydrophobicContact CD1-CD1 3.8Å; F184-F186 HydrophobicContact CD1-CE1 4.32Å; F184-F186 HydrophobicContact CE1-CB 4.44Å; F184-F186 AromaticContact CE1-CD1 3.71Å; F184-F186 HydrophobicContact CE1-CD1 3.71Å; F184-F186 HydrophobicContact CE1-CE1 4.47Å; F184-F186 HydrophobicContact CE1-CG 4.49Å; F184-F196 AromaticContact CE1-CD1 3.79Å; F184-F196 HydrophobicContact CE1-CD1 3.79Å; F184-F196 HydrophobicContact CE1-CD2 4.23Å; F184-F196 AromaticContact CE1-CE1 3.51Å; F184-F196 HydrophobicContact CE1-CE1 3.51Å; F184-F196 AromaticContact CE1-CE2 3.98Å; F184-F196 HydrophobicContact CE1-CE2 3.98Å; F184-F196 HydrophobicContact CE1-CG 4.15Å; F184-F196 AromaticContact CE1-CZ 3.62Å; F184-F196 HydrophobicContact CE1-CZ 3.62Å; F184-F196 HydrophobicContact CZ-CD1 4.19Å; F184-F196 AromaticContact CZ-CE1 3.82Å; F184-F196 HydrophobicContact CZ-CE1 3.82Å; F184-F196 HydrophobicContact CZ-CZ 4.27Å; F184-V304 PolarHBondContact N-O 2.74Å; F184-V304 PolarHBondContact O-N 3.06Å
185	S	96.2	Very high	93.8	Very high	72 Å²	72	44.9 Å²	44.9	50%	0.503	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	137.9	-170.9	-55	0	0	0	0	111.5	L302 D303	S185-L302 WeakPolarHBondContact CA-O 3.46Å; S185-D303 VanDerWaalsContact CB-OD1 3.26Å; S185-D303 WeakPolarHBondContact CB-OD1 3.19Å; S185-D303 PolarHBondContact OG-OD1 3.29Å
186	F	94.8	Very high	94.4	Very high	21 Å²	21	41.6 Å²	41.6	9%	0.092	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	157.5	176.8	58.6	-92.4	0	0	0	112.9	F184 A188 Q194 F196 V269 L302 V304	F184-F186 AromaticContact CD1-CD1 3.8Å; F184-F186 HydrophobicContact CD1-CD1 3.8Å; F184-F186 HydrophobicContact CD1-CE1 4.32Å; F184-F186 HydrophobicContact CE1-CB 4.44Å; F184-F186 AromaticContact CE1-CD1 3.71Å; F184-F186 HydrophobicContact CE1-CD1 3.71Å; F184-F186 HydrophobicContact CE1-CE1 4.47Å; F184-F186 HydrophobicContact CE1-CG 4.49Å; F186-A188 HydrophobicContact CD2-CB 4.44Å; F186-A188 HydrophobicContact CE2-CB 4.38Å; F186-Q194 HydrophobicContact CD2-CB 3.9Å; F186-Q194 HydrophobicContact CD2-CG 3.79Å; F186-Q194 HydrophobicContact CE2-CB 3.88Å; F186-Q194 HydrophobicContact CE2-CG 4.21Å; F186-F196 HydrophobicContact CB-CZ 4.23Å; F186-F196 HydrophobicContact CD1-CD2 4.25Å; F186-F196 AromaticContact CD1-CE2 3.42Å; F186-F196 HydrophobicContact CD1-CE2 3.42Å; F186-F196 VanDerWaalsContact CD1-CE2 3.42Å; F186-F196 AromaticContact CD1-CZ 3.85Å; F186-F196 HydrophobicContact CD1-CZ 3.85Å; F186-F196 HydrophobicContact CD2-CE2 4.05Å; F186-F196 HydrophobicContact CD2-CZ 4.41Å; F186-F196 AromaticContact CE1-CD2 3.91Å; F186-F196 HydrophobicContact CE1-CD2 3.91Å; F186-F196 AromaticContact CE1-CE2 3.4Å; F186-F196 HydrophobicContact CE1-CE2 3.4Å; F186-F196 HydrophobicContact CE1-CZ 4.29Å; F186-F196 HydrophobicContact CE2-CE2 4.04Å; F186-F196 AromaticContact CG-CE2 3.75Å; F186-F196 HydrophobicContact CG-CE2 3.75Å; F186-F196 AromaticContact CG-CZ 3.91Å; F186-F196 HydrophobicContact CG-CZ 3.91Å; F186-F196 HydrophobicContact CZ-CD2 4.31Å; F186-F196 AromaticContact CZ-CE2 3.73Å; F186-F196 HydrophobicContact CZ-CE2 3.73Å; F186-V269 HydrophobicContact CE2-CB 4.23Å; F186-V269 HydrophobicContact CZ-CB 4.17Å; F186-V269 HydrophobicContact CZ-CG2 3.99Å; F186-L302 HydrophobicContact CD2-CB 4.27Å; F186-L302 HydrophobicContact CE2-CB 3.86Å; F186-L302 HydrophobicContact CE2-CD1 3.99Å; F186-L302 HydrophobicContact CZ-CB 4.06Å; F186-L302 PolarHBondContact N-O 2.75Å; F186-L302 PolarHBondContact O-N 2.91Å; F186-V304 HydrophobicContact CE1-CB 4.32Å; F186-V304 HydrophobicContact CE1-CG2 3.51Å; F186-V304 HydrophobicContact CZ-CG2 3.86Å
187	A	95.4	Very high	94.6	Very high	43 Å²	43	42.9 Å²	42.9	36%	0.355	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	141.2	167.9	0	0	0	0	0	111.2	Q194 T299 K300 D301	A187-Q194 WeakPolarHBondContact O-CG 3.46Å; A187-Q194 PolarHBondContact O-NE2 2.78Å; A187-T299 HydrophobicContact CB-CG2 4.07Å; A187-K300 WeakPolarHBondContact CA-O 3.41Å; A187-D301 WeakPolarHBondContact CB-OD1 3.49Å
188	A	95.5	Very high	94.7	Very high	2 Å²	2	40.7 Å²	40.7	2%	0.017	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	156	170.3	0	0	0	0	0	111.5	F186 Q194 V271 T299 K300 L302	F186-A188 HydrophobicContact CD2-CB 4.44Å; F186-A188 HydrophobicContact CE2-CB 4.38Å; A188-Q194 HydrophobicContact CB-CG 3.93Å; A188-V271 HydrophobicContact CB-CG2 4.11Å; A188-V271 WeakPolarHBondContact O-CG2 3.44Å; A188-T299 CarbonylContact O-C 3.57Å; A188-T299 WeakPolarHBondContact O-CA 3.44Å; A188-K300 PolarHBondContact N-O 3.14Å; A188-K300 PolarHBondContact O-N 2.84Å; A188-L302 HydrophobicContact CB-CD1 4.02Å
189	S	95.3	Very high	94.7	Very high	12 Å²	12	43.2 Å²	43.2	8%	0.084	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-144.7	169.3	172	83.3	0	0	0	0	110.3	S191 Q192 R298	S189-S191 VanDerWaalsContact C-N 3.27Å; S189-S191 PolarHBondContact O-N 3.15Å; S189-Q192 PolarHBondContact N-O 2.84Å; S189-Q192 CarbonylContact O-C 3.59Å; S189-Q192 PolarHBondContact O-N 3.31Å; S189-Q192 WeakPolarHBondContact OG-CB 3.41Å; S189-Q192 PolarHBondContact OG-N 2.86Å; S189-R298 WeakPolarHBondContact CA-O 3.34Å; S189-R298 WeakPolarHBondContact CB-O 3.36Å
190	P	94.5	Very high	94.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-35.9	-179.3	-26.1	34.1	0	0	0	113.9	L121 Y131 V271 T273 R298	L121-P190 HydrophobicContact CD1-CB 3.6Å; L121-P190 VanDerWaalsContact CD1-O 3.3Å; L121-P190 WeakPolarHBondContact CD1-O 3.39Å; Y131-P190 HydrophobicContact CE1-CB 4.16Å; Y131-P190 HydrophobicContact CE1-CG 4.31Å; Y131-P190 HydrophobicContact CE2-CB 4.29Å; P190-V271 WeakPolarHBondContact CA-O 3.44Å; P190-V271 HydrophobicContact CG-CB 4.28Å; P190-V271 HydrophobicContact CG-CG1 4.07Å; P190-V271 WeakPolarHBondContact CG-O 3.3Å; P190-T273 HydrophobicContact CB-CG2 4.12Å; P190-R298 WeakPolarHBondContact CD-O 3.46Å; P190-R298 HydrophobicContact CG-CB 4.17Å
191	S	93.8	Very high	94.6	Very high	7 Å²	7	38.3 Å²	38.3	5%	0.049	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-7.1	175.3	64.2	0	0	0	0	114.3	H133 G135 S189 P193	H133-S191 WeakPolarHBondContact O-CB 3.28Å; H133-S191 PolarHBondContact O-OG 2.71Å; G135-S191 PolarHBondContact N-O 3.14Å; S189-S191 VanDerWaalsContact C-N 3.27Å; S189-S191 PolarHBondContact O-N 3.15Å; S191-P193 VanDerWaalsContact C-CD 3.4Å
192	Q	95.1	Very high	94.3	Very high	36 Å²	36	40.6 Å²	40.6	17%	0.168	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-129.2	60.6	177.5	-57.6	-150.7	-3.9	0	0	111.3	R88 H133 S189	R88-Q192 PolarHBondContact NH2-O 3.11Å; H133-Q192 PolarHBondContact CD2-NE2 3.4Å; H133-Q192 PolarHBondContact CE1-NE2 2.99Å; H133-Q192 VanDerWaalsContact CG-NE2 3.34Å; H133-Q192 PolarHBondContact NE2-NE2 2.91Å; S189-Q192 PolarHBondContact N-O 2.84Å; S189-Q192 CarbonylContact O-C 3.59Å; S189-Q192 PolarHBondContact O-N 3.31Å; S189-Q192 WeakPolarHBondContact OG-CB 3.41Å; S189-Q192 PolarHBondContact OG-N 2.86Å
193	P	95.4	Very high	93.9	Very high	1 Å²	1	37 Å²	37	1%	0.006	22%	0.219	C	C	.	.			trans	-60.9	159.4	172.9	30.3	-38.1	0	0	0	111	R88 S191 D233 V270	R88-P193 PolarHBondContact NH1-O 3.24Å; R88-P193 PolarHBondContact NH2-O 3.32Å; S191-P193 VanDerWaalsContact C-CD 3.4Å; P193-D233 HydrophobicContact CB-CB 4.23Å; P193-D233 WeakPolarHBondContact CB-O 3.4Å; P193-D233 HydrophobicContact CG-CB 4.32Å; P193-D233 WeakPolarHBondContact CG-O 3.38Å; P193-V270 HydrophobicContact CB-CG2 4.18Å
194	Q	94.5	Very high	93.7	Very high	25 Å²	25	32.6 Å²	32.6	12%	0.117	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	143.8	-179.8	-61.3	-75.3	18.8	0	0	109.8	R88 F186 A187 A188 F196 V269	R88-Q194 VanDerWaalsContact CZ-OE1 3.23Å; R88-Q194 VanDerWaalsContact NH1-OE1 3.1Å; F186-Q194 HydrophobicContact CD2-CB 3.9Å; F186-Q194 HydrophobicContact CD2-CG 3.79Å; F186-Q194 HydrophobicContact CE2-CB 3.88Å; F186-Q194 HydrophobicContact CE2-CG 4.21Å; A187-Q194 WeakPolarHBondContact O-CG 3.46Å; A187-Q194 PolarHBondContact O-NE2 2.78Å; A188-Q194 HydrophobicContact CB-CG 3.93Å; Q194-F196 HydrophobicContact CB-CE2 3.71Å; Q194-F196 HydrophobicContact CB-CZ 3.94Å; Q194-F196 HydrophobicContact CG-CZ 4.47Å; Q194-V269 PolarHBondContact N-O 2.87Å; Q194-V269 PolarHBondContact O-N 3.39Å
195	F	94.9	Very high	93.4	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.009	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	149.9	166.9	65.3	-96.9	0	0	0	111.3	T137 F176 V231 D233 Y266 V267 V268	T137-F195 HydrophobicContact CG2-CE1 4.02Å; T137-F195 HydrophobicContact CG2-CE2 4Å; T137-F195 HydrophobicContact CG2-CZ 3.68Å; T137-F195 WeakPolarHBondContact O-CE1 3.2Å; T137-F195 WeakPolarHBondContact O-CZ 3.27Å; F176-F195 HydrophobicContact CE2-CD2 4.03Å; F176-F195 HydrophobicContact CE2-CE2 4.06Å; F176-F195 VanDerWaalsContact CE2-O 3.29Å; F176-F195 WeakPolarHBondContact CE2-O 3.2Å; F176-F195 HydrophobicContact CZ-CD2 4.18Å; F176-F195 AromaticContact CZ-CE2 3.98Å; F176-F195 HydrophobicContact CZ-CE2 3.98Å; F195-V231 HydrophobicContact CD1-CG1 4.03Å; F195-V231 HydrophobicContact CE1-CB 4.3Å; F195-V231 HydrophobicContact CE1-CG1 4.15Å; F195-V231 HydrophobicContact CE2-CG2 4.2Å; F195-V231 HydrophobicContact CG-CG1 4.21Å; F195-V231 HydrophobicContact CZ-CB 4.32Å; F195-V231 HydrophobicContact CZ-CG1 4.46Å; F195-V231 HydrophobicContact CZ-CG2 4.19Å; F195-D233 HydrophobicContact CD1-CB 4.3Å; F195-Y266 AromaticContact CD2-CD1 3.87Å; F195-Y266 HydrophobicContact CD2-CD1 3.87Å; F195-Y266 HydrophobicContact CD2-CE1 4.17Å; F195-Y266 HydrophobicContact CD2-CG 4.22Å; F195-Y266 HydrophobicContact CE2-CD1 4.26Å; F195-Y266 HydrophobicContact CE2-CE1 4.11Å; F195-V267 CarbonylContact C-O 3.49Å; F195-V267 WeakPolarHBondContact CA-O 3.38Å; F195-V267 WeakPolarHBondContact CB-O 3.08Å; F195-V268 HydrophobicContact CB-CB 4.13Å; F195-V268 HydrophobicContact CB-CG1 4.23Å; F195-V268 HydrophobicContact CB-CG2 3.8Å
196	F	95.1	Very high	93.1	Very high	5 Å²	5	33.3 Å²	33.3	2%	0.022	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	148	-174.7	-54.4	-80.2	0	0	0	109.9	V173 F176 L178 F184 F186 Q194 Y266 V267	V173-F196 HydrophobicContact CG1-CE1 4.07Å; F176-F196 HydrophobicContact CD2-CD1 4.4Å; L178-F196 HydrophobicContact CD1-CB 4.05Å; L178-F196 HydrophobicContact CD2-CB 3.92Å; L178-F196 HydrophobicContact CD2-CG 4.29Å; L178-F196 HydrophobicContact CG-CB 3.74Å; F184-F196 AromaticContact CE1-CD1 3.79Å; F184-F196 HydrophobicContact CE1-CD1 3.79Å; F184-F196 HydrophobicContact CE1-CD2 4.23Å; F184-F196 AromaticContact CE1-CE1 3.51Å; F184-F196 HydrophobicContact CE1-CE1 3.51Å; F184-F196 AromaticContact CE1-CE2 3.98Å; F184-F196 HydrophobicContact CE1-CE2 3.98Å; F184-F196 HydrophobicContact CE1-CG 4.15Å; F184-F196 AromaticContact CE1-CZ 3.62Å; F184-F196 HydrophobicContact CE1-CZ 3.62Å; F184-F196 HydrophobicContact CZ-CD1 4.19Å; F184-F196 AromaticContact CZ-CE1 3.82Å; F184-F196 HydrophobicContact CZ-CE1 3.82Å; F184-F196 HydrophobicContact CZ-CZ 4.27Å; F186-F196 HydrophobicContact CB-CZ 4.23Å; F186-F196 HydrophobicContact CD1-CD2 4.25Å; F186-F196 AromaticContact CD1-CE2 3.42Å; F186-F196 HydrophobicContact CD1-CE2 3.42Å; F186-F196 VanDerWaalsContact CD1-CE2 3.42Å; F186-F196 AromaticContact CD1-CZ 3.85Å; F186-F196 HydrophobicContact CD1-CZ 3.85Å; F186-F196 HydrophobicContact CD2-CE2 4.05Å; F186-F196 HydrophobicContact CD2-CZ 4.41Å; F186-F196 AromaticContact CE1-CD2 3.91Å; F186-F196 HydrophobicContact CE1-CD2 3.91Å; F186-F196 AromaticContact CE1-CE2 3.4Å; F186-F196 HydrophobicContact CE1-CE2 3.4Å; F186-F196 HydrophobicContact CE1-CZ 4.29Å; F186-F196 HydrophobicContact CE2-CE2 4.04Å; F186-F196 AromaticContact CG-CE2 3.75Å; F186-F196 HydrophobicContact CG-CE2 3.75Å; F186-F196 AromaticContact CG-CZ 3.91Å; F186-F196 HydrophobicContact CG-CZ 3.91Å; F186-F196 HydrophobicContact CZ-CD2 4.31Å; F186-F196 AromaticContact CZ-CE2 3.73Å; F186-F196 HydrophobicContact CZ-CE2 3.73Å; Q194-F196 HydrophobicContact CB-CE2 3.71Å; Q194-F196 HydrophobicContact CB-CZ 3.94Å; Q194-F196 HydrophobicContact CG-CZ 4.47Å; F196-Y266 CarbonylContact O-C 3.53Å; F196-Y266 WeakPolarHBondContact O-CA 3.32Å; F196-V267 PolarHBondContact N-O 2.87Å; F196-V267 PolarHBondContact O-N 2.82Å
197	K	93.2	Very high	93.1	Very high	34 Å²	34	32.3 Å²	32.3	15%	0.148	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	141.6	178.8	177.5	171.7	173.5	179.5	0	110.6	T84 F176 T177 L178 V199 I227 F265 Y266	T84-K197 HydrophobicContact CG2-CD 3.84Å; T84-K197 PolarHBondContact OG1-NZ 2.97Å; F176-K197 HydrophobicContact CD1-CB 4.3Å; F176-K197 HydrophobicContact CE1-CB 3.95Å; F176-K197 HydrophobicContact CZ-CB 4.44Å; F176-K197 PolarHBondContact O-N 3.2Å; T177-K197 CarbonylContact C-O 3.56Å; T177-K197 VanDerWaalsContact CA-O 3.29Å; T177-K197 WeakPolarHBondContact CA-O 3.49Å; L178-K197 PolarHBondContact N-O 2.71Å; K197-V199 HydrophobicContact CD-CG2 4.47Å; K197-V199 HydrophobicContact CG-CG2 4.35Å; K197-I227 HydrophobicContact CD-CD1 3.82Å; K197-I227 HydrophobicContact CG-CD1 3.79Å; K197-F265 CarbonylContact C-O 3.59Å; K197-F265 WeakPolarHBondContact CA-O 3.46Å; K197-Y266 HydrophobicContact CB-CD1 4.2Å; K197-Y266 HydrophobicContact CB-CE1 4.15Å
198	Y	94.4	Very high	93.1	Very high	1 Å²	1	30.9 Å²	30.9	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	150.2	160.6	-174.5	-101.6	0	0	0	110	L178 T180 P201 V207 S264 F265 V306	L178-Y198 HydrophobicContact CB-CD2 4.08Å; T180-Y198 PolarHBondContact OG1-OH 2.96Å; Y198-P201 WeakPolarHBondContact OH-CD 3.32Å; Y198-V207 HydrophobicContact CE1-CB 4.49Å; Y198-V207 HydrophobicContact CE1-CG1 3.96Å; Y198-V207 HydrophobicContact CE1-CG2 4.09Å; Y198-S264 CarbonylContact O-C 3.07Å; Y198-S264 WeakPolarHBondContact O-CA 3.43Å; Y198-S264 WeakPolarHBondContact O-CB 3.35Å; Y198-F265 HydrophobicContact CD1-CD1 4.39Å; Y198-F265 AromaticContact CD1-CE1 3.55Å; Y198-F265 HydrophobicContact CD1-CE1 3.55Å; Y198-F265 HydrophobicContact CD1-CE2 4.18Å; Y198-F265 AromaticContact CD1-CZ 3.42Å; Y198-F265 HydrophobicContact CD1-CZ 3.42Å; Y198-F265 VanDerWaalsContact CD1-CZ 3.42Å; Y198-F265 HydrophobicContact CE1-CE1 4.33Å; Y198-F265 HydrophobicContact CE1-CZ 4.29Å; Y198-F265 HydrophobicContact CG-CE1 4.36Å; Y198-F265 HydrophobicContact CG-CE2 4.22Å; Y198-F265 AromaticContact CG-CZ 3.88Å; Y198-F265 HydrophobicContact CG-CZ 3.88Å; Y198-F265 PolarHBondContact N-O 2.95Å; Y198-F265 PolarHBondContact O-N 3.34Å; Y198-V306 HydrophobicContact CD1-CG1 4.15Å; Y198-V306 HydrophobicContact CD2-CB 3.94Å; Y198-V306 HydrophobicContact CD2-CG1 3.89Å; Y198-V306 HydrophobicContact CD2-CG2 3.94Å; Y198-V306 HydrophobicContact CE1-CG1 3.86Å; Y198-V306 HydrophobicContact CE2-CB 3.74Å; Y198-V306 HydrophobicContact CE2-CG1 3.59Å; Y198-V306 HydrophobicContact CE2-CG2 4.27Å; Y198-V306 HydrophobicContact CG-CG1 4.16Å; Y198-V306 HydrophobicContact CG-CG2 4.39Å
199	V	92.7	Very high	93.2	Very high	62 Å²	62	30.8 Å²	30.8	38%	0.376	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	129	177.5	-177	0	0	0	0	106.9	T177 K197 P201	T177-V199 HydrophobicContact CG2-CG2 4.16Å; K197-V199 HydrophobicContact CD-CG2 4.47Å; K197-V199 HydrophobicContact CG-CG2 4.35Å; V199-P201 WeakPolarHBondContact O-CD 3.28Å
200	F	93.7	Very high	93.2	Very high	9 Å²	9	32.3 Å²	32.3	4%	0.039	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-66.6	125.9	176.1	-76.1	-92.4	0	0	0	109.8	V204 V207 V255 R257 N263 F265	F200-V204 WeakPolarHBondContact CD1-O 3.12Å; F200-V207 HydrophobicContact CD1-CG1 4.03Å; F200-V207 HydrophobicContact CD1-CG2 4.46Å; F200-V207 HydrophobicContact CE1-CB 4.35Å; F200-V207 HydrophobicContact CE1-CG1 3.94Å; F200-V207 HydrophobicContact CE1-CG2 3.71Å; F200-V207 HydrophobicContact CZ-CG2 4.04Å; F200-V255 HydrophobicContact CZ-CB 4.49Å; F200-V255 HydrophobicContact CZ-CG1 4.17Å; F200-R257 HydrophobicContact CB-CG 4.27Å; F200-R257 HydrophobicContact CD1-CB 3.85Å; F200-R257 HydrophobicContact CD1-CG 4.21Å; F200-R257 HydrophobicContact CD2-CB 4.17Å; F200-R257 HydrophobicContact CD2-CG 4.03Å; F200-R257 HydrophobicContact CE1-CB 3.78Å; F200-R257 HydrophobicContact CE2-CB 4.11Å; F200-R257 HydrophobicContact CE2-CG 4.38Å; F200-R257 HydrophobicContact CG-CB 4.04Å; F200-R257 HydrophobicContact CG-CG 3.93Å; F200-R257 VanDerWaalsContact CZ-CA 3.46Å; F200-R257 HydrophobicContact CZ-CB 3.92Å; F200-N263 PolarHBondContact N-O 3.48Å; F200-F265 HydrophobicContact CD2-CD1 4.44Å; F200-F265 HydrophobicContact CD2-CE1 4.36Å; F200-F265 AromaticContact CE2-CD1 3.65Å; F200-F265 HydrophobicContact CE2-CD1 3.65Å; F200-F265 AromaticContact CE2-CE1 3.59Å; F200-F265 HydrophobicContact CE2-CE1 3.59Å; F200-F265 HydrophobicContact CZ-CD1 4.15Å; F200-F265 AromaticContact CZ-CE1 3.71Å; F200-F265 HydrophobicContact CZ-CE1 3.71Å
201	P	92.5	Very high	93.3	Very high	46 Å²	46	32.3 Å²	32.3	30%	0.299	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-72.8	157.1	173.5	30.2	-32.8	0	0	0	111	Y198 V199 G203 V204	Y198-P201 WeakPolarHBondContact OH-CD 3.32Å; V199-P201 WeakPolarHBondContact O-CD 3.28Å; P201-G203 PolarHBondContact O-N 2.83Å; P201-V204 HydrophobicContact CG-CB 3.94Å; P201-V204 HydrophobicContact CG-CG2 3.85Å; P201-V204 PolarHBondContact O-N 3.04Å; P201-V204 VanDerWaalsContact O-N 3.16Å
202	D	88.1	Confident	93.5	Very high	153 Å²	153	35.6 Å²	35.6	82%	0.818	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	134.3	-179.1	-69.6	-54.6	0	0	0	112	V204	D202-V204 VanDerWaalsContact C-N 3.34Å
203	G	86.4	Confident	93.5	Very high	73 Å²	73	34.3 Å²	34.3	75%	0.753	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.3	-1.9	-176.4	0	0	0	0	0	115.9	P201	P201-G203 PolarHBondContact O-N 2.83Å
204	V	90	Very high	93.4	Very high	32 Å²	32	41.1 Å²	41.1	19%	0.194	24%	0.239	C	C	.	.			trans	-110.2	110.6	177.7	-178.4	0	0	0	0	110.9	F200 P201 D202 T206 V207 P308	F200-V204 WeakPolarHBondContact CD1-O 3.12Å; P201-V204 HydrophobicContact CG-CB 3.94Å; P201-V204 HydrophobicContact CG-CG2 3.85Å; P201-V204 PolarHBondContact O-N 3.04Å; P201-V204 VanDerWaalsContact O-N 3.16Å; D202-V204 VanDerWaalsContact C-N 3.34Å; V204-T206 VanDerWaalsContact CG1-O 3.32Å; V204-T206 WeakPolarHBondContact CG1-O 3.39Å; V204-V207 HydrophobicContact CG1-CG1 3.75Å; V204-P308 HydrophobicContact CG1-CB 4.37Å
205	D	88.9	Confident	93.3	Very high	97 Å²	97	43.3 Å²	43.3	52%	0.519	25%	0.254	S	S	.	.			trans	-97.9	-10.1	-179.4	-64.7	-34.5	0	0	0	113.9	R257	D205-R257 HydrophobicContact CB-CB 4.44Å; D205-R257 VanDerWaalsContact O-CB 3.27Å; D205-R257 WeakPolarHBondContact O-CB 3.4Å; D205-R257 PolarHBondContact O-N 3.32Å; D205-R257 WeakPolarHBondContact OD1-CD 3.38Å; D205-R257 IonicContact OD1-CZ 3.52Å; D205-R257 IonicContact OD1-NE 2.6Å; D205-R257 IonicContact OD1-NH1 3.71Å; D205-R257 PolarHBondContact OD1-NH1 3.16Å
206	T	91.6	Very high	93.1	Very high	39 Å²	39	45.7 Å²	45.7	24%	0.239	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	135.2	179.8	51.2	0	0	0	0	111.2	V204 V255 Q256 A309	V204-T206 VanDerWaalsContact CG1-O 3.32Å; V204-T206 WeakPolarHBondContact CG1-O 3.39Å; T206-V255 WeakPolarHBondContact CA-O 3.34Å; T206-Q256 HydrophobicContact CG2-CB 4.24Å; T206-Q256 HydrophobicContact CG2-CG 4.2Å; T206-A309 PolarHBondContact O-N 3.34Å
207	V	94.6	Very high	92.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	157.5	176.9	-61.5	0	0	0	0	110.5	Y198 F200 V204 T254 V255 F265 V306 S307	Y198-V207 HydrophobicContact CE1-CB 4.49Å; Y198-V207 HydrophobicContact CE1-CG1 3.96Å; Y198-V207 HydrophobicContact CE1-CG2 4.09Å; F200-V207 HydrophobicContact CD1-CG1 4.03Å; F200-V207 HydrophobicContact CD1-CG2 4.46Å; F200-V207 HydrophobicContact CE1-CB 4.35Å; F200-V207 HydrophobicContact CE1-CG1 3.94Å; F200-V207 HydrophobicContact CE1-CG2 3.71Å; F200-V207 HydrophobicContact CZ-CG2 4.04Å; V204-V207 HydrophobicContact CG1-CG1 3.75Å; V207-T254 CarbonylContact O-C 3.59Å; V207-T254 WeakPolarHBondContact O-CA 3.37Å; V207-V255 HydrophobicContact CG2-CB 4.05Å; V207-V255 PolarHBondContact N-O 2.98Å; V207-V255 PolarHBondContact O-N 3.01Å; V207-F265 HydrophobicContact CG2-CE1 3.93Å; V207-F265 HydrophobicContact CG2-CZ 3.87Å; V207-V306 HydrophobicContact CB-CG1 3.91Å; V207-V306 HydrophobicContact CG1-CG1 4.44Å; V207-V306 HydrophobicContact CG2-CG1 3.95Å; V207-S307 CarbonylContact C-O 3.49Å; V207-S307 WeakPolarHBondContact CA-O 3.43Å; V207-S307 WeakPolarHBondContact CB-O 3.3Å
208	I	95.2	Very high	92.9	Very high	13 Å²	13	48.5 Å²	48.5	7%	0.067	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	120.8	170.4	-173.8	171.9	0	0	0	109.2	K210 A252 S307 F531 L532	I208-K210 HydrophobicContact CG1-CG 4.2Å; I208-A252 HydrophobicContact CD1-CB 3.98Å; I208-A252 HydrophobicContact CG1-CB 4.13Å; I208-S307 WeakPolarHBondContact CG2-OG 3.19Å; I208-S307 PolarHBondContact N-O 3.03Å; I208-S307 PolarHBondContact O-N 3.11Å; I208-S307 VanDerWaalsContact O-N 3.07Å; I208-F531 WeakPolarHBondContact CD1-O 3.44Å; I208-L532 HydrophobicContact CD1-CD2 4.42Å
209	V	96.8	Very high	92.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	111.5	174.5	-176.2	0	0	0	0	106.9	V211 M222 A252 I253 V255 F265 V267 V304 V306	V209-V211 HydrophobicContact CG1-CG2 4.36Å; V209-M222 HydrophobicContact CB-CE 3.61Å; V209-M222 HydrophobicContact CG1-CE 3.43Å; V209-M222 VanDerWaalsContact CG1-CE 3.43Å; V209-A252 CarbonylContact O-C 3.6Å; V209-A252 VanDerWaalsContact O-CA 3.24Å; V209-A252 WeakPolarHBondContact O-CA 3.46Å; V209-I253 PolarHBondContact N-O 3.31Å; V209-I253 PolarHBondContact O-N 2.96Å; V209-V255 HydrophobicContact CG2-CG2 4.02Å; V209-F265 HydrophobicContact CG2-CE2 3.69Å; V209-F265 HydrophobicContact CG2-CZ 3.72Å; V209-V267 HydrophobicContact CG1-CG1 3.96Å; V209-V267 HydrophobicContact CG1-CG2 3.81Å; V209-V267 HydrophobicContact CG2-CG2 4.22Å; V209-V304 HydrophobicContact CG1-CG1 4.13Å; V209-V306 HydrophobicContact CG1-CG2 4.24Å; V209-V306 HydrophobicContact CG2-CG1 4.12Å; V209-V306 HydrophobicContact CG2-CG2 4.12Å
210	K	96.6	Very high	93.1	Very high	44 Å²	44	45.5 Å²	45.5	19%	0.191	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	135.2	177.6	-59.2	-177.5	-176.9	-175.1	0	109.1	I208 A252 V304 V305 L532 D829	I208-K210 HydrophobicContact CG1-CG 4.2Å; K210-A252 HydrophobicContact CG-CB 4.33Å; K210-V304 WeakPolarHBondContact O-CA 3.21Å; K210-V305 PolarHBondContact N-O 2.65Å; K210-V305 PolarHBondContact O-N 3.28Å; K210-L532 HydrophobicContact CD-CD2 3.71Å; K210-L532 HydrophobicContact CG-CD2 3.95Å; K210-D829 IonicContact NZ-OD1 3.57Å; K210-D829 PolarHBondContact NZ-OD1 2.93Å
211	V	96.5	Very high	93.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	122.1	-179.5	-167.9	0	0	0	0	109.5	V209 M222 M247 K250 G251 L302 D303 V304	V209-V211 HydrophobicContact CG1-CG2 4.36Å; V211-M222 HydrophobicContact CB-SD 4.33Å; V211-M222 HydrophobicContact CG2-CE 3.84Å; V211-M222 HydrophobicContact CG2-CG 3.96Å; V211-M222 HydrophobicContact CG2-SD 3.48Å; V211-M222 WeakPolarHBondContact CG2-SD 3.32Å; V211-M247 HydrophobicContact CB-CE 4.42Å; V211-M247 HydrophobicContact CB-SD 3.9Å; V211-M247 HydrophobicContact CG1-CE 3.99Å; V211-M247 HydrophobicContact CG1-SD 3.76Å; V211-K250 CarbonylContact O-C 3.35Å; V211-K250 WeakPolarHBondContact O-CA 3.42Å; V211-G251 PolarHBondContact N-O 3.35Å; V211-G251 PolarHBondContact O-N 3.48Å; V211-L302 HydrophobicContact CG1-CD2 4.04Å; V211-D303 CarbonylContact C-O 3.59Å; V211-D303 VanDerWaalsContact CA-O 3.29Å; V211-D303 WeakPolarHBondContact CA-O 3.35Å; V211-V304 HydrophobicContact CG1-CG2 4.09Å; V211-V304 HydrophobicContact CG2-CG2 4.09Å
212	N	96.6	Very high	93.3	Very high	76 Å²	76	43 Å²	43	41%	0.406	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	157.2	-176.7	-71.8	-24.7	0	0	0	111.9	K249 L302 D303	N212-K249 CarbonylContact C-O 3.42Å; N212-K249 VanDerWaalsContact CA-O 3.26Å; N212-K249 WeakPolarHBondContact CA-O 3.35Å; N212-L302 WeakPolarHBondContact O-CA 3.44Å; N212-D303 HydrophobicContact CB-CB 4.33Å; N212-D303 PolarHBondContact N-O 3.22Å; N212-D303 PolarHBondContact O-N 3.39Å
213	S	95.8	Very high	93.8	Very high	8 Å²	8	35.8 Å²	35.8	6%	0.056	21%	0.209	C	C	.	.			trans	-153.4	140.6	172.5	-174.1	0	0	0	0	109.5	V215 K249 K300 D301	S213-V215 PolarHBondContact O-N 3.27Å; S213-K249 PolarHBondContact N-O 3.46Å; S213-K249 WeakPolarHBondContact O-CB 3.33Å; S213-K249 WeakPolarHBondContact O-CG 3.2Å; S213-K300 WeakPolarHBondContact OG-CE 3.27Å; S213-D301 WeakPolarHBondContact CB-O 3.17Å; S213-D301 PolarHBondContact OG-O 2.9Å
214	D	93.7	Very high	94.3	Very high	144 Å²	144	32.3 Å²	32.3	77%	0.77	17%	0.173	S	C	*	.	S	Bend	trans	-72.4	-19	178.6	-66.2	-41.2	0	0	0	112.9	K249	D214-K249 WeakPolarHBondContact O-CE 3.42Å
215	V	92.6	Very high	94.5	Very high	71 Å²	71	31 Å²	31	43%	0.43	17%	0.165	S	C	.	.			trans	-109.1	139.7	-178.7	-62.8	0	0	0	0	112.3	S213 F217 K300	S213-V215 PolarHBondContact O-N 3.27Å; V215-F217 WeakPolarHBondContact CG2-O 3.46Å; V215-K300 HydrophobicContact CG2-CG 4.12Å
216	N	90.3	Very high	94.7	Very high	52 Å²	52	28.7 Å²	28.7	28%	0.278	15%	0.152	S	C	.	.			trans	-67.8	-46.1	177.5	-66.8	60.8	0	0	0	111.5	T248 K249 K300 E825	N216-T248 CarbonylContact O-C 3.54Å; N216-T248 VanDerWaalsContact O-CA 3.25Å; N216-T248 WeakPolarHBondContact O-CA 3.35Å; N216-T248 WeakPolarHBondContact O-CB 3.48Å; N216-K249 WeakPolarHBondContact OD1-CD 3.36Å; N216-K249 WeakPolarHBondContact OD1-CE 3.48Å; N216-K249 PolarHBondContact OD1-NZ 2.95Å; N216-K300 PolarHBondContact O-NZ 3.32Å; N216-E825 VanDerWaalsContact ND2-CD 3.26Å; N216-E825 PolarHBondContact ND2-OE1 2.97Å; N216-E825 PolarHBondContact ND2-OE2 2.73Å
217	F	91.4	Very high	94.5	Very high	84 Å²	84	28 Å²	28	37%	0.368	15%	0.147	S	C	.	.			trans	-117.6	151.4	-177.4	-60.8	-64.5	0	0	0	110.8	V215 T248 D275 C278	V215-F217 WeakPolarHBondContact CG2-O 3.46Å; F217-T248 HydrophobicContact CE1-CG2 4.31Å; F217-D275 HydrophobicContact CD1-CB 3.74Å; F217-D275 HydrophobicContact CE1-CB 3.96Å; F217-C278 HydrophobicContact CE1-CB 4.22Å
218	P	93.3	Very high	94.1	Very high	14 Å²	14	33.9 Å²	33.9	9%	0.091	18%	0.175	C	C	.	.	S	Bend	cis	-70.3	154.2	6.6	30	-36.5	0	0	0	113.6	V271 D275 R298 K300	P218-V271 HydrophobicContact CB-CG1 3.66Å; P218-V271 HydrophobicContact CG-CG1 3.5Å; P218-V271 VanDerWaalsContact CG-CG1 3.5Å; P218-D275 VanDerWaalsContact CA-OD1 3.28Å; P218-D275 WeakPolarHBondContact CA-OD1 3.21Å; P218-R298 HydrophobicContact CB-CB 4.42Å; P218-K300 HydrophobicContact CG-CB 3.99Å; P218-K300 HydrophobicContact CG-CD 4.41Å; P218-K300 WeakPolarHBondContact O-CD 3.48Å; P218-K300 WeakPolarHBondContact O-CE 3.45Å; P218-K300 PolarHBondContact O-NZ 3.11Å
219	C	94.3	Very high	93.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.184	C	C	.	.			trans	-59.8	146.2	175.3	178	0	0	0	0	111.1	K272 D275 C278	C219-K272 HydrophobicContact CB-CB 4.09Å; C219-K272 HydrophobicContact CB-CG 4.47Å; C219-K272 WeakPolarHBondContact O-CB 3.46Å; C219-K272 PolarHBondContact O-N 2.92Å; C219-D275 HydrophobicContact CB-CB 4.38Å; C219-D275 PolarHBondContact N-OD1 3Å; C219-C278 VanDerWaalsContact CA-SG 3.51Å; C219-C278 HydrophobicContact CB-CB 3.59Å; C219-C278 WeakPolarHBondContact CB-SG 3.47Å; C219-C278 WeakPolarHBondContact SG-CB 3.44Å; C219-C278 PolarHBondContact SG-N 3.47Å; C219-C278 VanDerWaalsContact SG-N 3.38Å; C219-C278 CovalentContact SG-SG 2.04Å; C219-C278 PolarHBondContact SG-SG 2.96Å
220	S	95.5	Very high	93.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	148.6	-174.8	32.9	0	0	0	0	111.6	T246 M247 V270 K300	S220-T246 CarbonylContact O-C 3Å; S220-T246 WeakPolarHBondContact O-CA 3.31Å; S220-M247 PolarHBondContact N-O 3.31Å; S220-M247 PolarHBondContact O-N 3.04Å; S220-M247 PolarHBondContact OG-O 2.87Å; S220-V270 CarbonylContact C-O 3.54Å; S220-V270 WeakPolarHBondContact CA-O 3.4Å; S220-K300 PolarHBondContact OG-NZ 3.32Å
221	V	96.3	Very high	93.1	Very high	4 Å²	4	38 Å²	38	2%	0.024	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	132.9	169.4	168.5	0	0	0	0	109.5	V238 Q245 T246 V269 V270 K272	V221-V238 HydrophobicContact CB-CG1 4.31Å; V221-V238 HydrophobicContact CG1-CG1 3.92Å; V221-V238 HydrophobicContact CG1-CG2 4.08Å; V221-Q245 WeakPolarHBondContact CA-O 3.32Å; V221-T246 HydrophobicContact CG2-CG2 3.79Å; V221-V269 WeakPolarHBondContact O-CA 3.48Å; V221-V270 PolarHBondContact N-O 3.45Å; V221-V270 PolarHBondContact O-N 3.2Å; V221-K272 HydrophobicContact CG2-CD 4.35Å; V221-K272 HydrophobicContact CG2-CG 4.33Å
222	M	95.8	Very high	93	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	135.8	167.4	173.1	-162.1	175.3	0	0	108.2	V209 V211 V224 Y244 Q245 M247 I253	V209-M222 HydrophobicContact CB-CE 3.61Å; V209-M222 HydrophobicContact CG1-CE 3.43Å; V209-M222 VanDerWaalsContact CG1-CE 3.43Å; V211-M222 HydrophobicContact CB-SD 4.33Å; V211-M222 HydrophobicContact CG2-CE 3.84Å; V211-M222 HydrophobicContact CG2-CG 3.96Å; V211-M222 HydrophobicContact CG2-SD 3.48Å; V211-M222 WeakPolarHBondContact CG2-SD 3.32Å; M222-V224 HydrophobicContact CE-CG2 4.06Å; M222-Y244 CarbonylContact O-C 3.47Å; M222-Y244 WeakPolarHBondContact O-CA 3.42Å; M222-Y244 WeakPolarHBondContact O-CB 3.46Å; M222-Q245 HydrophobicContact CB-CG 4.33Å; M222-Q245 PolarHBondContact N-O 3.12Å; M222-Q245 PolarHBondContact O-N 3.12Å; M222-Q245 PolarHBondContact SD-NE2 3.34Å; M222-Q245 VanDerWaalsContact SD-NE2 3.35Å; M222-M247 HydrophobicContact CB-SD 4.34Å; M222-I253 HydrophobicContact CE-CB 3.81Å; M222-I253 HydrophobicContact CE-CD1 3.9Å; M222-I253 HydrophobicContact CE-CG1 3.67Å; M222-I253 HydrophobicContact CG-CD1 4.32Å; M222-I253 HydrophobicContact SD-CD1 3.95Å; M222-I253 HydrophobicContact SD-CG1 3.81Å
223	S	97.1	Very high	92.9	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	142.1	176.1	177.7	0	0	0	0	111	Q225 V238 M243 V268	S223-Q225 WeakPolarHBondContact OG-CG 3.06Å; S223-Q225 PolarHBondContact OG-NE2 2.96Å; S223-V238 PolarHBondContact OG-O 3.34Å; S223-M243 CarbonylContact C-O 3.56Å; S223-M243 VanDerWaalsContact CA-O 3.28Å; S223-M243 WeakPolarHBondContact CA-O 3.4Å; S223-V268 PolarHBondContact N-O 3.47Å; S223-V268 PolarHBondContact O-N 3.2Å
224	V	96.9	Very high	92.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	111.1	177.8	176.5	0	0	0	0	108.3	M222 G242 M243 I253 V255 F260 F265 Y266	M222-V224 HydrophobicContact CE-CG2 4.06Å; V224-G242 CarbonylContact O-C 3.59Å; V224-G242 WeakPolarHBondContact O-CA 3.43Å; V224-M243 PolarHBondContact N-O 2.85Å; V224-M243 PolarHBondContact O-N 3.42Å; V224-I253 HydrophobicContact CG2-CB 4.35Å; V224-I253 HydrophobicContact CG2-CD1 4.17Å; V224-I253 HydrophobicContact CG2-CG2 4.32Å; V224-V255 HydrophobicContact CG1-CG1 4.14Å; V224-V255 HydrophobicContact CG1-CG2 4.02Å; V224-V255 HydrophobicContact CG2-CG2 4.34Å; V224-F260 HydrophobicContact CG1-CE1 4.33Å; V224-F260 HydrophobicContact CG1-CZ 3.87Å; V224-F265 HydrophobicContact CG1-CB 4.13Å; V224-F265 HydrophobicContact CG1-CD2 3.72Å; V224-F265 HydrophobicContact CG1-CE2 4.24Å; V224-F265 HydrophobicContact CG1-CG 3.93Å; V224-Y266 WeakPolarHBondContact CA-O 3.31Å
225	Q	95.2	Very high	92.5	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.019	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	150.7	-171.1	-58.2	177.4	19.7	0	0	110.6	S223 Y232 I241 F265 Y266 V268	S223-Q225 WeakPolarHBondContact OG-CG 3.06Å; S223-Q225 PolarHBondContact OG-NE2 2.96Å; Q225-Y232 PolarHBondContact NE2-O 3.38Å; Q225-I241 HydrophobicContact CB-CG2 4.43Å; Q225-I241 HydrophobicContact CG-CG2 3.95Å; Q225-F265 CarbonylContact O-C 3.6Å; Q225-F265 WeakPolarHBondContact O-CA 3.39Å; Q225-F265 WeakPolarHBondContact O-CB 3.27Å; Q225-Y266 PolarHBondContact N-O 3.27Å; Q225-Y266 PolarHBondContact O-N 2.92Å; Q225-V268 HydrophobicContact CG-CG2 4.28Å
226	D	92	Very high	92.4	Very high	49 Å²	49	34.1 Å²	34.1	26%	0.262	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	164.2	173.6	-169.8	18	0	0	0	111	Q228 F260 S262	D226-Q228 PolarHBondContact O-N 3.45Å; D226-F260 HydrophobicContact CB-CD1 4.02Å; D226-F260 HydrophobicContact CB-CE1 4.26Å; D226-S262 PolarHBondContact OD1-OG 3.01Å
227	I	88.6	Confident	92.4	Very high	25 Å²	25	33 Å²	33	13%	0.128	17%	0.172	C	C	.	.	S	Bend	trans	-80	66.7	-179.7	-55.5	-162	0	0	0	110.2	K197 Y266	K197-I227 HydrophobicContact CD-CD1 3.82Å; K197-I227 HydrophobicContact CG-CD1 3.79Å; I227-Y266 HydrophobicContact CB-CE2 4.16Å; I227-Y266 HydrophobicContact CG1-CD2 4.26Å; I227-Y266 HydrophobicContact CG1-CE2 4.19Å; I227-Y266 HydrophobicContact CG2-CE2 3.92Å
228	Q	86.3	Confident	92.5	Very high	124 Å²	124	29 Å²	29	58%	0.579	16%	0.155	S	C	*	.			trans	-122.3	145.2	175	-171	170.6	3.9	0	0	109.8	D226	D226-Q228 PolarHBondContact O-N 3.45Å
229	C	86.9	Confident	92.4	Very high	38 Å²	38	30.1 Å²	30.1	26%	0.257	17%	0.165	S	C	.	.	S	Bend	trans	-100.8	141	170.7	-54.2	0	0	0	0	109.7	C139	C139-C229 HydrophobicContact CB-CB 3.85Å; C139-C229 WeakPolarHBondContact CB-SG 3.43Å; C139-C229 WeakPolarHBondContact SG-CA 3.24Å; C139-C229 WeakPolarHBondContact SG-CB 3.48Å; C139-C229 CovalentContact SG-SG 2.04Å; C139-C229 PolarHBondContact SG-SG 2.7Å
230	P	89.2	Confident	92.1	Very high	92 Å²	92	37.1 Å²	37.1	60%	0.597	20%	0.196	S	C	*	.	S	Bend	cis	-75.8	149.1	-1.4	32.9	-35.9	0	0	0	113.1
231	V	91.5	Very high	91.8	Very high	13 Å²	13	40.8 Å²	40.8	8%	0.079	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-81	138.8	165.9	177.7	0	0	0	0	108.4	C139 F195 D233 Y266 V268	C139-V231 HydrophobicContact CB-CG2 4.07Å; F195-V231 HydrophobicContact CD1-CG1 4.03Å; F195-V231 HydrophobicContact CE1-CB 4.3Å; F195-V231 HydrophobicContact CE1-CG1 4.15Å; F195-V231 HydrophobicContact CE2-CG2 4.2Å; F195-V231 HydrophobicContact CG-CG1 4.21Å; F195-V231 HydrophobicContact CZ-CB 4.32Å; F195-V231 HydrophobicContact CZ-CG1 4.46Å; F195-V231 HydrophobicContact CZ-CG2 4.19Å; V231-D233 HydrophobicContact CG1-CB 4.41Å; V231-Y266 HydrophobicContact CG2-CD2 3.63Å; V231-Y266 HydrophobicContact CG2-CE2 3.59Å; V231-Y266 HydrophobicContact CG2-CG 4.49Å; V231-V268 HydrophobicContact CG1-CG2 3.74Å
232	Y	94.2	Very high	91.6	Very high	73 Å²	73	41.9 Å²	41.9	29%	0.286	23%	0.227	S	C	.	.			trans	-97.7	99.2	178.6	-66.9	-85.8	0	0	0	110	Q225 N237 V238 F240 I241	Q225-Y232 PolarHBondContact NE2-O 3.38Å; Y232-N237 WeakPolarHBondContact CB-O 3.39Å; Y232-N237 HydrophobicContact CD1-CB 3.82Å; Y232-V238 WeakPolarHBondContact O-CA 3.41Å; Y232-F240 HydrophobicContact CD1-CB 4.48Å; Y232-F240 HydrophobicContact CD1-CD2 4.11Å; Y232-F240 AromaticContact CE1-CD2 3.97Å; Y232-F240 HydrophobicContact CE1-CD2 3.97Å; Y232-I241 HydrophobicContact CD2-CB 4.31Å; Y232-I241 HydrophobicContact CD2-CG2 3.47Å; Y232-I241 VanDerWaalsContact CD2-CG2 3.47Å; Y232-I241 HydrophobicContact CE2-CB 4.45Å; Y232-I241 HydrophobicContact CE2-CG2 3.99Å; Y232-I241 HydrophobicContact CG-CG2 4.43Å
233	D	93.6	Very high	91.5	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.011	24%	0.236	C	C	.	.			trans	-125.5	19.2	-168.6	67.7	-17.2	0	0	0	113.4	R136 P193 F195 V231 N237 V268 V270	R136-D233 IonicContact CZ-OD1 3.63Å; R136-D233 IonicContact CZ-OD2 3.48Å; R136-D233 VanDerWaalsContact CZ-OD2 3.23Å; R136-D233 IonicContact NH1-OD1 2.7Å; R136-D233 PolarHBondContact NH1-OD1 2.93Å; R136-D233 IonicContact NH1-OD2 3.52Å; R136-D233 PolarHBondContact NH1-OD2 2.86Å; R136-D233 IonicContact NH2-OD1 2.71Å; R136-D233 PolarHBondContact NH2-OD1 3.36Å; R136-D233 IonicContact NH2-OD2 3.33Å; R136-D233 PolarHBondContact NH2-OD2 2.63Å; P193-D233 HydrophobicContact CB-CB 4.23Å; P193-D233 WeakPolarHBondContact CB-O 3.4Å; P193-D233 HydrophobicContact CG-CB 4.32Å; P193-D233 WeakPolarHBondContact CG-O 3.38Å; F195-D233 HydrophobicContact CD1-CB 4.3Å; V231-D233 HydrophobicContact CG1-CB 4.41Å; D233-N237 PolarHBondContact N-OD1 3.16Å; D233-V268 HydrophobicContact CB-CG1 3.86Å; D233-V270 WeakPolarHBondContact O-CG2 3.28Å
234	L	92.8	Very high	91.5	Very high	28 Å²	28	45.7 Å²	45.7	15%	0.147	24%	0.243	C	C	.	.	S	Bend	trans	-113.5	153.1	174.9	-67	175.6	0	0	0	111.5	L121 R136 N236 N237 V238	L121-L234 HydrophobicContact CD2-CD2 4.25Å; R136-L234 VanDerWaalsContact NH1-CD2 3.31Å; L234-N236 WeakPolarHBondContact CB-OD1 3.35Å; L234-N236 PolarHBondContact O-N 3.45Å; L234-N237 PolarHBondContact N-OD1 3.12Å; L234-N237 PolarHBondContact O-N 2.86Å; L234-N237 PolarHBondContact O-OD1 2.94Å; L234-N237 VanDerWaalsContact O-OD1 3.13Å; L234-V238 WeakPolarHBondContact O-CB 3.46Å; L234-V238 WeakPolarHBondContact O-CG1 3.42Å; L234-V238 PolarHBondContact O-N 3.39Å
235	D	89.6	Confident	91.4	Very high	15 Å²	15	45.7 Å²	45.7	8%	0.08	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-39.8	-178.2	-171.1	-9.3	0	0	0	113.1	K272 T273	D235-K272 PolarHBondContact O-NZ 3.39Å; D235-K272 VanDerWaalsContact O-NZ 3.15Å; D235-K272 WeakPolarHBondContact OD1-CD 3.43Å; D235-K272 WeakPolarHBondContact OD1-CE 3.48Å; D235-K272 IonicContact OD1-NZ 2.76Å; D235-K272 PolarHBondContact OD1-NZ 2.89Å; D235-T273 WeakPolarHBondContact OD2-CB 3.27Å; D235-T273 WeakPolarHBondContact OD2-CG2 3.44Å; D235-T273 PolarHBondContact OD2-N 3.34Å; D235-T273 PolarHBondContact OD2-OG1 2.83Å
236	N	88.8	Confident	91.4	Very high	100 Å²	100	46 Å²	46	54%	0.535	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-5.6	-177.5	69.6	-16.9	0	0	0	115.4	L234 F240	L234-N236 WeakPolarHBondContact CB-OD1 3.35Å; L234-N236 PolarHBondContact O-N 3.45Å; N236-F240 WeakPolarHBondContact O-CE1 3.14Å; N236-F240 WeakPolarHBondContact O-CZ 3.33Å
237	N	92.3	Very high	91.6	Very high	28 Å²	28	43.6 Å²	43.6	15%	0.15	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.8	-16.7	-171.7	77.7	13.4	0	0	0	115.4	Y232 D233 L234 A239 F240	Y232-N237 WeakPolarHBondContact CB-O 3.39Å; Y232-N237 HydrophobicContact CD1-CB 3.82Å; D233-N237 PolarHBondContact N-OD1 3.16Å; L234-N237 PolarHBondContact N-OD1 3.12Å; L234-N237 PolarHBondContact O-N 2.86Å; L234-N237 PolarHBondContact O-OD1 2.94Å; L234-N237 VanDerWaalsContact O-OD1 3.13Å; N237-A239 PolarHBondContact O-N 3.45Å; N237-F240 HydrophobicContact CB-CD2 3.78Å; N237-F240 HydrophobicContact CB-CE2 3.67Å; N237-F240 HydrophobicContact CB-CG 4.4Å; N237-F240 HydrophobicContact CB-CZ 4.21Å; N237-F240 VanDerWaalsContact O-CB 3.27Å; N237-F240 WeakPolarHBondContact O-CB 3.28Å; N237-F240 VanDerWaalsContact O-CG 3.28Å; N237-F240 WeakPolarHBondContact O-CG 3.36Å; N237-F240 PolarHBondContact O-N 2.92Å
238	V	93.1	Very high	91.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-17	179.4	64.2	0	0	0	0	114.6	V221 S223 Y232 L234 V268 V270	V221-V238 HydrophobicContact CB-CG1 4.31Å; V221-V238 HydrophobicContact CG1-CG1 3.92Å; V221-V238 HydrophobicContact CG1-CG2 4.08Å; S223-V238 PolarHBondContact OG-O 3.34Å; Y232-V238 WeakPolarHBondContact O-CA 3.41Å; L234-V238 WeakPolarHBondContact O-CB 3.46Å; L234-V238 WeakPolarHBondContact O-CG1 3.42Å; L234-V238 PolarHBondContact O-N 3.39Å; V238-V268 HydrophobicContact CG2-CG1 4.27Å; V238-V270 HydrophobicContact CB-CG2 4.04Å; V238-V270 HydrophobicContact CG1-CB 4.49Å; V238-V270 HydrophobicContact CG1-CG2 4.41Å; V238-V270 HydrophobicContact CG2-CB 4.49Å; V238-V270 HydrophobicContact CG2-CG2 3.78Å
239	A	90.8	Very high	92.2	Very high	38 Å²	38	39.7 Å²	39.7	31%	0.314	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	6.7	177.1	0	0	0	0	0	114.4	N237 Y244	N237-A239 PolarHBondContact O-N 3.45Å; A239-Y244 HydrophobicContact CB-CD1 4.16Å; A239-Y244 HydrophobicContact CB-CD2 4.19Å; A239-Y244 HydrophobicContact CB-CE1 3.76Å; A239-Y244 HydrophobicContact CB-CE2 3.82Å; A239-Y244 HydrophobicContact CB-CG 4.34Å; A239-Y244 WeakPolarHBondContact O-CE1 3.42Å
240	F	88.6	Confident	92.6	Very high	146 Å²	146	41 Å²	41	64%	0.64	21%	0.214	S	C	*	.	S	Bend	trans	-88.3	-21.2	-176.1	-67.4	-5.7	0	0	0	114.6	Y232 N236 N237	Y232-F240 HydrophobicContact CD1-CB 4.48Å; Y232-F240 HydrophobicContact CD1-CD2 4.11Å; Y232-F240 AromaticContact CE1-CD2 3.97Å; Y232-F240 HydrophobicContact CE1-CD2 3.97Å; N236-F240 WeakPolarHBondContact O-CE1 3.14Å; N236-F240 WeakPolarHBondContact O-CZ 3.33Å; N237-F240 HydrophobicContact CB-CD2 3.78Å; N237-F240 HydrophobicContact CB-CE2 3.67Å; N237-F240 HydrophobicContact CB-CG 4.4Å; N237-F240 HydrophobicContact CB-CZ 4.21Å; N237-F240 VanDerWaalsContact O-CB 3.27Å; N237-F240 WeakPolarHBondContact O-CB 3.28Å; N237-F240 VanDerWaalsContact O-CG 3.28Å; N237-F240 WeakPolarHBondContact O-CG 3.36Å; N237-F240 PolarHBondContact O-N 2.92Å
241	I	89.1	Confident	92.9	Very high	78 Å²	78	36.8 Å²	36.8	40%	0.4	19%	0.188	S	C	.	.	S	Bend	trans	-149.6	155.8	179.6	-156.4	170.8	0	0	0	110.5	Q225 Y232	Q225-I241 HydrophobicContact CB-CG2 4.43Å; Q225-I241 HydrophobicContact CG-CG2 3.95Å; Y232-I241 HydrophobicContact CD2-CB 4.31Å; Y232-I241 HydrophobicContact CD2-CG2 3.47Å; Y232-I241 VanDerWaalsContact CD2-CG2 3.47Å; Y232-I241 HydrophobicContact CE2-CB 4.45Å; Y232-I241 HydrophobicContact CE2-CG2 3.99Å; Y232-I241 HydrophobicContact CG-CG2 4.43Å
242	G	91	Very high	93	Very high	27 Å²	27	36.2 Å²	36.2	28%	0.278	19%	0.185	S	C	.	.	S	Bend	trans	75.5	-176.9	179.8	0	0	0	0	0	113.2	V224 G522	V224-G242 CarbonylContact O-C 3.59Å; V224-G242 WeakPolarHBondContact O-CA 3.43Å; G242-G522 WeakPolarHBondContact O-CA 3.45Å
243	M	94.5	Very high	93.1	Very high	41 Å²	41	33 Å²	33	20%	0.202	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	132	176.6	-63.8	-179.2	-72.5	0	0	109.9	S223 V224 I253 V255 F260 G522	S223-M243 CarbonylContact C-O 3.56Å; S223-M243 VanDerWaalsContact CA-O 3.28Å; S223-M243 WeakPolarHBondContact CA-O 3.4Å; V224-M243 PolarHBondContact N-O 2.85Å; V224-M243 PolarHBondContact O-N 3.42Å; M243-I253 HydrophobicContact CB-CD1 4.4Å; M243-I253 HydrophobicContact CB-CG2 4.18Å; M243-I253 HydrophobicContact CE-CG2 3.89Å; M243-I253 HydrophobicContact SD-CG2 4.2Å; M243-V255 HydrophobicContact CE-CG1 4.18Å; M243-V255 HydrophobicContact CE-CG2 4.28Å; M243-F260 HydrophobicContact CE-CE2 4.4Å; M243-F260 HydrophobicContact CE-CZ 4.45Å; M243-G522 CarbonylContact C-O 3.58Å; M243-G522 VanDerWaalsContact CA-O 3.32Å; M243-G522 WeakPolarHBondContact CA-O 3.36Å
244	Y	96.1	Very high	93	Very high	38 Å²	38	34.5 Å²	34.5	15%	0.149	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	158.7	-178.5	70.9	-91.3	0	0	0	113.8	M222 A239 G522 N523 Q524	M222-Y244 CarbonylContact O-C 3.47Å; M222-Y244 WeakPolarHBondContact O-CA 3.42Å; M222-Y244 WeakPolarHBondContact O-CB 3.46Å; A239-Y244 HydrophobicContact CB-CD1 4.16Å; A239-Y244 HydrophobicContact CB-CD2 4.19Å; A239-Y244 HydrophobicContact CB-CE1 3.76Å; A239-Y244 HydrophobicContact CB-CE2 3.82Å; A239-Y244 HydrophobicContact CB-CG 4.34Å; A239-Y244 WeakPolarHBondContact O-CE1 3.42Å; Y244-G522 PolarHBondContact N-O 3.23Å; Y244-N523 HydrophobicContact CE1-CB 3.95Å; Y244-N523 HydrophobicContact CE2-CB 4.13Å; Y244-N523 WeakPolarHBondContact OH-CB 3.48Å; Y244-N523 PolarHBondContact OH-ND2 2.93Å; Y244-Q524 WeakPolarHBondContact O-CB 3.47Å; Y244-Q524 PolarHBondContact O-N 2.98Å
245	Q	95.8	Very high	93	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	152	173.2	70.5	-169.7	-29.2	0	0	112.7	V221 M222 A252 I253 Q524 D525	V221-Q245 WeakPolarHBondContact CA-O 3.32Å; M222-Q245 HydrophobicContact CB-CG 4.33Å; M222-Q245 PolarHBondContact N-O 3.12Å; M222-Q245 PolarHBondContact O-N 3.12Å; M222-Q245 PolarHBondContact SD-NE2 3.34Å; M222-Q245 VanDerWaalsContact SD-NE2 3.35Å; Q245-A252 PolarHBondContact NE2-O 2.63Å; Q245-A252 PolarHBondContact OE1-O 2.93Å; Q245-I253 HydrophobicContact CG-CD1 4.37Å; Q245-I253 HydrophobicContact CG-CG1 4.48Å; Q245-I253 VanDerWaalsContact NE2-CG1 3.28Å; Q245-Q524 HydrophobicContact CB-CB 4.15Å; Q245-D525 WeakPolarHBondContact CA-OD1 3.46Å
246	T	95.7	Very high	93.1	Very high	10 Å²	10	34.3 Å²	34.3	6%	0.061	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	147.5	164.3	48.4	0	0	0	0	111.8	S220 V221 A277 D525 R824	S220-T246 CarbonylContact O-C 3Å; S220-T246 WeakPolarHBondContact O-CA 3.31Å; V221-T246 HydrophobicContact CG2-CG2 3.79Å; T246-A277 HydrophobicContact CG2-CB 4.26Å; T246-D525 WeakPolarHBondContact CB-OD2 3.19Å; T246-D525 VanDerWaalsContact CG2-OD2 3.29Å; T246-D525 WeakPolarHBondContact CG2-OD2 3.47Å; T246-D525 PolarHBondContact N-OD1 2.91Å; T246-D525 VanDerWaalsContact N-OD1 3.08Å; T246-D525 PolarHBondContact N-OD2 3.47Å; T246-D525 PolarHBondContact OG1-OD1 3.29Å; T246-D525 PolarHBondContact OG1-OD2 3.38Å; T246-R824 PolarHBondContact O-NH1 2.7Å
247	M	94.9	Very high	93.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	135.1	176.2	50.7	164.6	-72.5	0	0	112	V211 S220 M222 K250 L302	V211-M247 HydrophobicContact CB-CE 4.42Å; V211-M247 HydrophobicContact CB-SD 3.9Å; V211-M247 HydrophobicContact CG1-CE 3.99Å; V211-M247 HydrophobicContact CG1-SD 3.76Å; S220-M247 PolarHBondContact N-O 3.31Å; S220-M247 PolarHBondContact O-N 3.04Å; S220-M247 PolarHBondContact OG-O 2.87Å; M222-M247 HydrophobicContact CB-SD 4.34Å; M247-K250 VanDerWaalsContact CB-O 3.23Å; M247-K250 WeakPolarHBondContact CB-O 3.44Å; M247-L302 HydrophobicContact CE-CD2 3.79Å
248	T	94.5	Very high	93.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-79.7	-88.8	161.5	50.4	0	0	0	0	108.4	N216 F217 C278 K300 A821 E822 E825	N216-T248 CarbonylContact O-C 3.54Å; N216-T248 VanDerWaalsContact O-CA 3.25Å; N216-T248 WeakPolarHBondContact O-CA 3.35Å; N216-T248 WeakPolarHBondContact O-CB 3.48Å; F217-T248 HydrophobicContact CE1-CG2 4.31Å; T248-C278 HydrophobicContact CG2-CB 3.75Å; T248-K300 PolarHBondContact O-NZ 3.1Å; T248-A821 HydrophobicContact CG2-CB 4.18Å; T248-A821 PolarHBondContact OG1-O 3.03Å; T248-E822 HydrophobicContact CG2-CG 4.4Å; T248-E825 VanDerWaalsContact CB-OE1 3.25Å; T248-E825 WeakPolarHBondContact CB-OE1 3.46Å; T248-E825 VanDerWaalsContact OG1-CD 3.3Å; T248-E825 VanDerWaalsContact OG1-CG 3.3Å; T248-E825 WeakPolarHBondContact OG1-CG 3.5Å; T248-E825 PolarHBondContact OG1-OE1 2.84Å
249	K	93.9	Very high	92.8	Very high	67 Å²	67	41.3 Å²	41.3	29%	0.291	21%	0.206	S	C	.	.	S	Bend	trans	-89.7	-38.6	179.5	-73.1	-179.3	145.2	139.2	0	114.3	N212 S213 D214 N216 E825	N212-K249 CarbonylContact C-O 3.42Å; N212-K249 VanDerWaalsContact CA-O 3.26Å; N212-K249 WeakPolarHBondContact CA-O 3.35Å; S213-K249 PolarHBondContact N-O 3.46Å; S213-K249 WeakPolarHBondContact O-CB 3.33Å; S213-K249 WeakPolarHBondContact O-CG 3.2Å; D214-K249 WeakPolarHBondContact O-CE 3.42Å; N216-K249 WeakPolarHBondContact OD1-CD 3.36Å; N216-K249 WeakPolarHBondContact OD1-CE 3.48Å; N216-K249 PolarHBondContact OD1-NZ 2.95Å; K249-E825 HydrophobicContact CB-CG 4.27Å
250	K	94.3	Very high	92.8	Very high	65 Å²	65	40.2 Å²	40.2	28%	0.283	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	142.1	-170.2	-66.2	179.8	-180	167.6	0	111.8	V211 M247 R824 E825 N827	V211-K250 CarbonylContact O-C 3.35Å; V211-K250 WeakPolarHBondContact O-CA 3.42Å; M247-K250 VanDerWaalsContact CB-O 3.23Å; M247-K250 WeakPolarHBondContact CB-O 3.44Å; K250-R824 WeakPolarHBondContact CD-O 3.43Å; K250-R824 WeakPolarHBondContact O-CB 3.38Å; K250-E825 WeakPolarHBondContact CE-O 3.42Å; K250-E825 PolarHBondContact NZ-O 3.15Å; K250-N827 PolarHBondContact NZ-O 2.86Å
251	G	94.9	Very high	92.7	Very high	4 Å²	4	38.5 Å²	38.5	4%	0.041	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	147.4	162.5	0	0	0	0	0	110.5	V211	V211-G251 PolarHBondContact N-O 3.35Å; V211-G251 PolarHBondContact O-N 3.48Å
252	A	95.2	Very high	92.5	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	141	166.5	0	0	0	0	0	111.2	I208 V209 K210 Q245 F531 L532	I208-A252 HydrophobicContact CD1-CB 3.98Å; I208-A252 HydrophobicContact CG1-CB 4.13Å; V209-A252 CarbonylContact O-C 3.6Å; V209-A252 VanDerWaalsContact O-CA 3.24Å; V209-A252 WeakPolarHBondContact O-CA 3.46Å; K210-A252 HydrophobicContact CG-CB 4.33Å; Q245-A252 PolarHBondContact NE2-O 2.63Å; Q245-A252 PolarHBondContact OE1-O 2.93Å; A252-F531 HydrophobicContact CB-CB 4.16Å; A252-L532 HydrophobicContact CB-CD2 3.76Å; A252-L532 HydrophobicContact CB-CG 4.44Å
253	I	94.7	Very high	92.5	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.021	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	124.8	172.1	-58.9	-175.5	0	0	0	108.4	V209 M222 V224 M243 Q245 V255	V209-I253 PolarHBondContact N-O 3.31Å; V209-I253 PolarHBondContact O-N 2.96Å; M222-I253 HydrophobicContact CE-CB 3.81Å; M222-I253 HydrophobicContact CE-CD1 3.9Å; M222-I253 HydrophobicContact CE-CG1 3.67Å; M222-I253 HydrophobicContact CG-CD1 4.32Å; M222-I253 HydrophobicContact SD-CD1 3.95Å; M222-I253 HydrophobicContact SD-CG1 3.81Å; V224-I253 HydrophobicContact CG2-CB 4.35Å; V224-I253 HydrophobicContact CG2-CD1 4.17Å; V224-I253 HydrophobicContact CG2-CG2 4.32Å; M243-I253 HydrophobicContact CB-CD1 4.4Å; M243-I253 HydrophobicContact CB-CG2 4.18Å; M243-I253 HydrophobicContact CE-CG2 3.89Å; M243-I253 HydrophobicContact SD-CG2 4.2Å; Q245-I253 HydrophobicContact CG-CD1 4.37Å; Q245-I253 HydrophobicContact CG-CG1 4.48Å; Q245-I253 VanDerWaalsContact NE2-CG1 3.28Å; I253-V255 HydrophobicContact CG2-CG2 4.18Å
254	T	93.1	Very high	92.4	Very high	34 Å²	34	37.9 Å²	37.9	21%	0.209	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	128.4	171.2	-57.3	0	0	0	0	109.3	V207 P536	V207-T254 CarbonylContact O-C 3.59Å; V207-T254 WeakPolarHBondContact O-CA 3.37Å; T254-P536 HydrophobicContact CG2-CG 3.92Å
255	V	92.8	Very high	92.3	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	127.3	-171.5	-165.4	0	0	0	0	109.1	F200 T206 V207 V209 V224 M243 I253 F260 F265	F200-V255 HydrophobicContact CZ-CB 4.49Å; F200-V255 HydrophobicContact CZ-CG1 4.17Å; T206-V255 WeakPolarHBondContact CA-O 3.34Å; V207-V255 HydrophobicContact CG2-CB 4.05Å; V207-V255 PolarHBondContact N-O 2.98Å; V207-V255 PolarHBondContact O-N 3.01Å; V209-V255 HydrophobicContact CG2-CG2 4.02Å; V224-V255 HydrophobicContact CG1-CG1 4.14Å; V224-V255 HydrophobicContact CG1-CG2 4.02Å; V224-V255 HydrophobicContact CG2-CG2 4.34Å; M243-V255 HydrophobicContact CE-CG1 4.18Å; M243-V255 HydrophobicContact CE-CG2 4.28Å; I253-V255 HydrophobicContact CG2-CG2 4.18Å; V255-F260 HydrophobicContact CG1-CD2 3.81Å; V255-F260 HydrophobicContact CG1-CE2 3.3Å; V255-F260 HydrophobicContact CG1-CZ 3.97Å; V255-F265 HydrophobicContact CB-CE1 4.09Å; V255-F265 HydrophobicContact CB-CZ 4.35Å; V255-F265 HydrophobicContact CG1-CD1 3.86Å; V255-F265 HydrophobicContact CG1-CE1 3.72Å; V255-F265 HydrophobicContact CG1-CZ 4.32Å; V255-F265 HydrophobicContact CG2-CE1 4.41Å; V255-F265 HydrophobicContact CG2-CZ 4.21Å
256	Q	91.1	Very high	92.3	Very high	39 Å²	39	36.2 Å²	36.2	18%	0.182	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	132.3	179	-37.1	-177.4	30.5	0	0	109.7	T206 K258 D259	T206-Q256 HydrophobicContact CG2-CB 4.24Å; T206-Q256 HydrophobicContact CG2-CG 4.2Å; Q256-K258 HydrophobicContact CB-CD 4.36Å; Q256-K258 HydrophobicContact CB-CG 4.23Å; Q256-K258 PolarHBondContact O-N 3.2Å; Q256-K258 VanDerWaalsContact OE1-CE 3.26Å; Q256-D259 WeakPolarHBondContact CB-OD2 3.48Å; Q256-D259 WeakPolarHBondContact O-CB 3.32Å; Q256-D259 PolarHBondContact O-N 2.87Å; Q256-D259 VanDerWaalsContact O-N 3.07Å
257	R	91.1	Very high	92.3	Very high	58 Å²	58	35.8 Å²	35.8	22%	0.219	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-55.3	-36.4	-177.4	-176.6	-173.1	179.8	174.5	10.1	113.2	F200 D205 D259 F260 N263	F200-R257 HydrophobicContact CB-CG 4.27Å; F200-R257 HydrophobicContact CD1-CB 3.85Å; F200-R257 HydrophobicContact CD1-CG 4.21Å; F200-R257 HydrophobicContact CD2-CB 4.17Å; F200-R257 HydrophobicContact CD2-CG 4.03Å; F200-R257 HydrophobicContact CE1-CB 3.78Å; F200-R257 HydrophobicContact CE2-CB 4.11Å; F200-R257 HydrophobicContact CE2-CG 4.38Å; F200-R257 HydrophobicContact CG-CB 4.04Å; F200-R257 HydrophobicContact CG-CG 3.93Å; F200-R257 VanDerWaalsContact CZ-CA 3.46Å; F200-R257 HydrophobicContact CZ-CB 3.92Å; D205-R257 HydrophobicContact CB-CB 4.44Å; D205-R257 VanDerWaalsContact O-CB 3.27Å; D205-R257 WeakPolarHBondContact O-CB 3.4Å; D205-R257 PolarHBondContact O-N 3.32Å; D205-R257 WeakPolarHBondContact OD1-CD 3.38Å; D205-R257 IonicContact OD1-CZ 3.52Å; D205-R257 IonicContact OD1-NE 2.6Å; D205-R257 IonicContact OD1-NH1 3.71Å; D205-R257 PolarHBondContact OD1-NH1 3.16Å; R257-D259 PolarHBondContact O-N 3.42Å; R257-D259 VanDerWaalsContact O-N 3.16Å; R257-F260 PolarHBondContact O-N 2.88Å; R257-F260 VanDerWaalsContact O-N 3.17Å; R257-N263 PolarHBondContact NE-OD1 3.47Å; R257-N263 PolarHBondContact NH2-OD1 3.48Å
258	K	89.3	Confident	92.4	Very high	134 Å²	134	35.8 Å²	35.8	58%	0.583	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-57.6	-26.7	179.4	82.5	-167.8	-172.3	-166.7	0	113.4	Q256 F260	Q256-K258 HydrophobicContact CB-CD 4.36Å; Q256-K258 HydrophobicContact CB-CG 4.23Å; Q256-K258 PolarHBondContact O-N 3.2Å; Q256-K258 VanDerWaalsContact OE1-CE 3.26Å; K258-F260 VanDerWaalsContact C-N 3.3Å
259	D	88.3	Confident	92.5	Very high	83 Å²	83	35.8 Å²	35.8	44%	0.444	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-85.2	-7.3	-174.1	-54.7	-38.9	0	0	0	111.7	Q256 R257	Q256-D259 WeakPolarHBondContact CB-OD2 3.48Å; Q256-D259 WeakPolarHBondContact O-CB 3.32Å; Q256-D259 PolarHBondContact O-N 2.87Å; Q256-D259 VanDerWaalsContact O-N 3.07Å; R257-D259 PolarHBondContact O-N 3.42Å; R257-D259 VanDerWaalsContact O-N 3.16Å
260	F	90.8	Very high	92.6	Very high	16 Å²	16	32.6 Å²	32.6	7%	0.07	17%	0.172	C	C	.	.			trans	-125.4	97.5	-174.4	-68.9	-90.4	0	0	0	111	V224 D226 M243 V255 R257 K258 S262 N263 F265	V224-F260 HydrophobicContact CG1-CE1 4.33Å; V224-F260 HydrophobicContact CG1-CZ 3.87Å; D226-F260 HydrophobicContact CB-CD1 4.02Å; D226-F260 HydrophobicContact CB-CE1 4.26Å; M243-F260 HydrophobicContact CE-CE2 4.4Å; M243-F260 HydrophobicContact CE-CZ 4.45Å; V255-F260 HydrophobicContact CG1-CD2 3.81Å; V255-F260 HydrophobicContact CG1-CE2 3.3Å; V255-F260 HydrophobicContact CG1-CZ 3.97Å; R257-F260 PolarHBondContact O-N 2.88Å; R257-F260 VanDerWaalsContact O-N 3.17Å; K258-F260 VanDerWaalsContact C-N 3.3Å; F260-S262 PolarHBondContact O-N 3.47Å; F260-N263 PolarHBondContact O-N 3.48Å; F260-F265 HydrophobicContact CD1-CB 3.67Å; F260-F265 HydrophobicContact CE1-CB 3.68Å; F260-F265 HydrophobicContact CG-CB 4.33Å; F260-F265 HydrophobicContact CZ-CB 4.38Å
261	P	86.6	Confident	92.7	Very high	109 Å²	109	29.5 Å²	29.5	71%	0.708	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-26.6	-175.4	-27	35.3	0	0	0	114.4	N263	P261-N263 VanDerWaalsContact C-N 3.29Å; P261-N263 PolarHBondContact O-N 3.29Å
262	S	84.9	Confident	92.6	Very high	56 Å²	56	31 Å²	31	39%	0.392	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-4.7	179	-56.4	0	0	0	0	114.6	D226 F260 S264	D226-S262 PolarHBondContact OD1-OG 3.01Å; F260-S262 PolarHBondContact O-N 3.47Å; S262-S264 PolarHBondContact O-N 2.92Å; S262-S264 PolarHBondContact O-OG 3.38Å
263	N	90.4	Very high	92.3	Very high	67 Å²	67	31.2 Å²	31.2	36%	0.358	17%	0.165	S	C	.	.	S	Bend	trans	51.1	31.5	-164.7	-61.9	-78.6	0	0	0	112.6	F200 R257 F260 P261	F200-N263 PolarHBondContact N-O 3.48Å; R257-N263 PolarHBondContact NE-OD1 3.47Å; R257-N263 PolarHBondContact NH2-OD1 3.48Å; F260-N263 PolarHBondContact O-N 3.48Å; P261-N263 VanDerWaalsContact C-N 3.29Å; P261-N263 PolarHBondContact O-N 3.29Å
264	S	91.6	Very high	92.1	Very high	10 Å²	10	31.9 Å²	31.9	7%	0.07	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	154.9	-170.7	-62.7	0	0	0	0	109.6	Y198 S262	Y198-S264 CarbonylContact O-C 3.07Å; Y198-S264 WeakPolarHBondContact O-CA 3.43Å; Y198-S264 WeakPolarHBondContact O-CB 3.35Å; S262-S264 PolarHBondContact O-N 2.92Å; S262-S264 PolarHBondContact O-OG 3.38Å
265	F	94.8	Very high	91.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	167	178.2	55	-100.3	0	0	0	111.7	K197 Y198 F200 V207 V209 V224 Q225 V255 F260 V267	K197-F265 CarbonylContact C-O 3.59Å; K197-F265 WeakPolarHBondContact CA-O 3.46Å; Y198-F265 HydrophobicContact CD1-CD1 4.39Å; Y198-F265 AromaticContact CD1-CE1 3.55Å; Y198-F265 HydrophobicContact CD1-CE1 3.55Å; Y198-F265 HydrophobicContact CD1-CE2 4.18Å; Y198-F265 AromaticContact CD1-CZ 3.42Å; Y198-F265 HydrophobicContact CD1-CZ 3.42Å; Y198-F265 VanDerWaalsContact CD1-CZ 3.42Å; Y198-F265 HydrophobicContact CE1-CE1 4.33Å; Y198-F265 HydrophobicContact CE1-CZ 4.29Å; Y198-F265 HydrophobicContact CG-CE1 4.36Å; Y198-F265 HydrophobicContact CG-CE2 4.22Å; Y198-F265 AromaticContact CG-CZ 3.88Å; Y198-F265 HydrophobicContact CG-CZ 3.88Å; Y198-F265 PolarHBondContact N-O 2.95Å; Y198-F265 PolarHBondContact O-N 3.34Å; F200-F265 HydrophobicContact CD2-CD1 4.44Å; F200-F265 HydrophobicContact CD2-CE1 4.36Å; F200-F265 AromaticContact CE2-CD1 3.65Å; F200-F265 HydrophobicContact CE2-CD1 3.65Å; F200-F265 AromaticContact CE2-CE1 3.59Å; F200-F265 HydrophobicContact CE2-CE1 3.59Å; F200-F265 HydrophobicContact CZ-CD1 4.15Å; F200-F265 AromaticContact CZ-CE1 3.71Å; F200-F265 HydrophobicContact CZ-CE1 3.71Å; V207-F265 HydrophobicContact CG2-CE1 3.93Å; V207-F265 HydrophobicContact CG2-CZ 3.87Å; V209-F265 HydrophobicContact CG2-CE2 3.69Å; V209-F265 HydrophobicContact CG2-CZ 3.72Å; V224-F265 HydrophobicContact CG1-CB 4.13Å; V224-F265 HydrophobicContact CG1-CD2 3.72Å; V224-F265 HydrophobicContact CG1-CE2 4.24Å; V224-F265 HydrophobicContact CG1-CG 3.93Å; Q225-F265 CarbonylContact O-C 3.6Å; Q225-F265 WeakPolarHBondContact O-CA 3.39Å; Q225-F265 WeakPolarHBondContact O-CB 3.27Å; V255-F265 HydrophobicContact CB-CE1 4.09Å; V255-F265 HydrophobicContact CB-CZ 4.35Å; V255-F265 HydrophobicContact CG1-CD1 3.86Å; V255-F265 HydrophobicContact CG1-CE1 3.72Å; V255-F265 HydrophobicContact CG1-CZ 4.32Å; V255-F265 HydrophobicContact CG2-CE1 4.41Å; V255-F265 HydrophobicContact CG2-CZ 4.21Å; F260-F265 HydrophobicContact CD1-CB 3.67Å; F260-F265 HydrophobicContact CE1-CB 3.68Å; F260-F265 HydrophobicContact CG-CB 4.33Å; F260-F265 HydrophobicContact CZ-CB 4.38Å; F265-V267 HydrophobicContact CD2-CG2 3.97Å; F265-V267 HydrophobicContact CE2-CG2 3.6Å
266	Y	95.3	Very high	91.7	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.016	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	130	166.5	-67.9	-55.7	0	0	0	110.8	F176 F195 F196 K197 V224 Q225 I227 V231	F176-Y266 HydrophobicContact CE1-CE1 4.23Å; F176-Y266 HydrophobicContact CZ-CD1 4.41Å; F176-Y266 AromaticContact CZ-CE1 3.77Å; F176-Y266 HydrophobicContact CZ-CE1 3.77Å; F195-Y266 AromaticContact CD2-CD1 3.87Å; F195-Y266 HydrophobicContact CD2-CD1 3.87Å; F195-Y266 HydrophobicContact CD2-CE1 4.17Å; F195-Y266 HydrophobicContact CD2-CG 4.22Å; F195-Y266 HydrophobicContact CE2-CD1 4.26Å; F195-Y266 HydrophobicContact CE2-CE1 4.11Å; F196-Y266 CarbonylContact O-C 3.53Å; F196-Y266 WeakPolarHBondContact O-CA 3.32Å; K197-Y266 HydrophobicContact CB-CD1 4.2Å; K197-Y266 HydrophobicContact CB-CE1 4.15Å; V224-Y266 WeakPolarHBondContact CA-O 3.31Å; Q225-Y266 PolarHBondContact N-O 3.27Å; Q225-Y266 PolarHBondContact O-N 2.92Å; I227-Y266 HydrophobicContact CB-CE2 4.16Å; I227-Y266 HydrophobicContact CG1-CD2 4.26Å; I227-Y266 HydrophobicContact CG1-CE2 4.19Å; I227-Y266 HydrophobicContact CG2-CE2 3.92Å; V231-Y266 HydrophobicContact CG2-CD2 3.63Å; V231-Y266 HydrophobicContact CG2-CE2 3.59Å; V231-Y266 HydrophobicContact CG2-CG 4.49Å
267	V	96.6	Very high	91.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	112.2	162.2	-177.1	0	0	0	0	107	L178 F195 F196 V209 F265 V269	L178-V267 HydrophobicContact CD1-CB 4.12Å; L178-V267 HydrophobicContact CD1-CG2 3.79Å; F195-V267 CarbonylContact C-O 3.49Å; F195-V267 WeakPolarHBondContact CA-O 3.38Å; F195-V267 WeakPolarHBondContact CB-O 3.08Å; F196-V267 PolarHBondContact N-O 2.87Å; F196-V267 PolarHBondContact O-N 2.82Å; V209-V267 HydrophobicContact CG1-CG1 3.96Å; V209-V267 HydrophobicContact CG1-CG2 3.81Å; V209-V267 HydrophobicContact CG2-CG2 4.22Å; F265-V267 HydrophobicContact CD2-CG2 3.97Å; F265-V267 HydrophobicContact CE2-CG2 3.6Å; V267-V269 HydrophobicContact CG1-CG2 4.32Å
268	V	96.8	Very high	91.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	130.6	179.9	-173.3	0	0	0	0	108.5	F195 S223 Q225 V231 D233 V238 V270	F195-V268 HydrophobicContact CB-CB 4.13Å; F195-V268 HydrophobicContact CB-CG1 4.23Å; F195-V268 HydrophobicContact CB-CG2 3.8Å; S223-V268 PolarHBondContact N-O 3.47Å; S223-V268 PolarHBondContact O-N 3.2Å; Q225-V268 HydrophobicContact CG-CG2 4.28Å; V231-V268 HydrophobicContact CG1-CG2 3.74Å; D233-V268 HydrophobicContact CB-CG1 3.86Å; V238-V268 HydrophobicContact CG2-CG1 4.27Å; V268-V270 HydrophobicContact CG1-CG2 4.05Å
269	V	96.4	Very high	91.4	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.2	175	-168.8	0	0	0	0	110.4	F186 Q194 V221 V267 L302	F186-V269 HydrophobicContact CE2-CB 4.23Å; F186-V269 HydrophobicContact CZ-CB 4.17Å; F186-V269 HydrophobicContact CZ-CG2 3.99Å; Q194-V269 PolarHBondContact N-O 2.87Å; Q194-V269 PolarHBondContact O-N 3.39Å; V221-V269 WeakPolarHBondContact O-CA 3.48Å; V267-V269 HydrophobicContact CG1-CG2 4.32Å; V269-L302 HydrophobicContact CG1-CD1 3.69Å; V269-L302 HydrophobicContact CG1-CD2 4.37Å
270	V	96	Very high	91.2	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	125.9	-172.6	-177	0	0	0	0	109.2	P193 S220 V221 D233 V238 V268	P193-V270 HydrophobicContact CB-CG2 4.18Å; S220-V270 CarbonylContact C-O 3.54Å; S220-V270 WeakPolarHBondContact CA-O 3.4Å; V221-V270 PolarHBondContact N-O 3.45Å; V221-V270 PolarHBondContact O-N 3.2Å; D233-V270 WeakPolarHBondContact O-CG2 3.28Å; V238-V270 HydrophobicContact CB-CG2 4.04Å; V238-V270 HydrophobicContact CG1-CB 4.49Å; V238-V270 HydrophobicContact CG1-CG2 4.41Å; V238-V270 HydrophobicContact CG2-CB 4.49Å; V238-V270 HydrophobicContact CG2-CG2 3.78Å; V268-V270 HydrophobicContact CG1-CG2 4.05Å
271	V	95.6	Very high	90.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	132.9	171.1	177.9	0	0	0	0	109	A188 P190 P218 K300	A188-V271 HydrophobicContact CB-CG2 4.11Å; A188-V271 WeakPolarHBondContact O-CG2 3.44Å; P190-V271 WeakPolarHBondContact CA-O 3.44Å; P190-V271 HydrophobicContact CG-CB 4.28Å; P190-V271 HydrophobicContact CG-CG1 4.07Å; P190-V271 WeakPolarHBondContact CG-O 3.3Å; P218-V271 HydrophobicContact CB-CG1 3.66Å; P218-V271 HydrophobicContact CG-CG1 3.5Å; P218-V271 VanDerWaalsContact CG-CG1 3.5Å; V271-K300 HydrophobicContact CG2-CB 3.85Å
272	K	93.1	Very high	89.8	Confident	36 Å²	36	25.2 Å²	25.2	16%	0.157	16%	0.156	C	C	.	.			trans	-76.9	146.7	-179.1	-71.2	-107.9	156.8	-151	0	111.1	C219 V221 D235 E274 A277 R298	C219-K272 HydrophobicContact CB-CB 4.09Å; C219-K272 HydrophobicContact CB-CG 4.47Å; C219-K272 WeakPolarHBondContact O-CB 3.46Å; C219-K272 PolarHBondContact O-N 2.92Å; V221-K272 HydrophobicContact CG2-CD 4.35Å; V221-K272 HydrophobicContact CG2-CG 4.33Å; D235-K272 PolarHBondContact O-NZ 3.39Å; D235-K272 VanDerWaalsContact O-NZ 3.15Å; D235-K272 WeakPolarHBondContact OD1-CD 3.43Å; D235-K272 WeakPolarHBondContact OD1-CE 3.48Å; D235-K272 IonicContact OD1-NZ 2.76Å; D235-K272 PolarHBondContact OD1-NZ 2.89Å; K272-E274 VanDerWaalsContact C-N 3.29Å; K272-E274 VanDerWaalsContact CB-O 3.29Å; K272-E274 WeakPolarHBondContact CB-O 3.29Å; K272-E274 PolarHBondContact O-N 2.95Å; K272-A277 HydrophobicContact CD-CB 4.23Å; K272-R298 VanDerWaalsContact O-CZ 3.3Å; K272-R298 PolarHBondContact O-NE 3.4Å; K272-R298 PolarHBondContact O-NH2 3.37Å
273	T	89.9	Confident	88.9	Confident	5 Å²	5	30.2 Å²	30.2	3%	0.031	17%	0.167	C	C	.	.	S	Bend	trans	-65	-30.2	174.7	46.7	0	0	0	0	113.2	L121 Y129 Y131 P190 D235 R298	L121-T273 HydrophobicContact CB-CG2 3.59Å; L121-T273 HydrophobicContact CD1-CG2 3.96Å; L121-T273 HydrophobicContact CG-CG2 4.44Å; Y129-T273 HydrophobicContact CD2-CG2 4.17Å; Y131-T273 HydrophobicContact CE2-CG2 4.37Å; P190-T273 HydrophobicContact CB-CG2 4.12Å; D235-T273 WeakPolarHBondContact OD2-CB 3.27Å; D235-T273 WeakPolarHBondContact OD2-CG2 3.44Å; D235-T273 PolarHBondContact OD2-N 3.34Å; D235-T273 PolarHBondContact OD2-OG1 2.83Å; T273-R298 WeakPolarHBondContact O-CD 3.33Å; T273-R298 PolarHBondContact O-NE 2.99Å
274	E	88.8	Confident	87.3	Confident	18 Å²	18	37 Å²	37	8%	0.084	19%	0.194	C	C	.	.	S	Bend	trans	-132.5	162.5	176.8	-68.5	179.5	115.6	0	0	111.1	G123 L124 R127 Y129 K272 L282	G123-E274 WeakPolarHBondContact CA-OE2 3.23Å; L124-E274 PolarHBondContact N-OE2 2.71Å; R127-E274 WeakPolarHBondContact CD-OE1 3.34Å; R127-E274 IonicContact CZ-OE1 3.5Å; R127-E274 IonicContact NE-OE1 2.71Å; R127-E274 IonicContact NH1-OE1 2.6Å; R127-E274 PolarHBondContact NH1-OE1 2.85Å; Y129-E274 HydrophobicContact CE2-CG 3.98Å; Y129-E274 WeakPolarHBondContact OH-CG 3.36Å; Y129-E274 PolarHBondContact OH-OE1 3.3Å; Y129-E274 VanDerWaalsContact OH-OE1 3.11Å; K272-E274 VanDerWaalsContact C-N 3.29Å; K272-E274 VanDerWaalsContact CB-O 3.29Å; K272-E274 WeakPolarHBondContact CB-O 3.29Å; K272-E274 PolarHBondContact O-N 2.95Å; E274-L282 WeakPolarHBondContact OE1-CD2 3.41Å
275	D	90.6	Very high	85.7	Confident	28 Å²	28	40.6 Å²	40.6	15%	0.15	21%	0.206	C	C	.	.	S	Bend	trans	-97.5	-9.4	-172.3	-61.4	-59	0	0	0	115.1	F217 P218 C219 A277 C278 G279 G280 R298	F217-D275 HydrophobicContact CD1-CB 3.74Å; F217-D275 HydrophobicContact CE1-CB 3.96Å; P218-D275 VanDerWaalsContact CA-OD1 3.28Å; P218-D275 WeakPolarHBondContact CA-OD1 3.21Å; C219-D275 HydrophobicContact CB-CB 4.38Å; C219-D275 PolarHBondContact N-OD1 3Å; D275-A277 VanDerWaalsContact C-N 3.26Å; D275-A277 PolarHBondContact O-N 3.09Å; D275-C278 CarbonylContact O-C 3.54Å; D275-C278 PolarHBondContact O-N 3.29Å; D275-G279 PolarHBondContact O-N 3.24Å; D275-G280 PolarHBondContact O-N 2.87Å; D275-R298 VanDerWaalsContact CG-NH2 3.28Å; D275-R298 IonicContact OD1-CZ 3.16Å; D275-R298 IonicContact OD1-NH1 3.81Å; D275-R298 IonicContact OD1-NH2 2.73Å; D275-R298 PolarHBondContact OD1-NH2 2.9Å; D275-R298 IonicContact OD2-CZ 3.81Å; D275-R298 IonicContact OD2-NH1 2.79Å; D275-R298 PolarHBondContact OD2-NH1 2.91Å; D275-R298 IonicContact OD2-NH2 3.52Å; D275-R298 PolarHBondContact OD2-NH2 2.88Å
276	E	88.3	Confident	83.9	Confident	76 Å²	76	45 Å²	45	36%	0.355	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-50.4	-41.7	-178.7	-175.5	79.9	163.3	0	0	113	L124 C278 G279 G280 L282	L124-E276 HydrophobicContact CD2-CG 3.91Å; E276-C278 PolarHBondContact O-N 2.91Å; E276-G279 PolarHBondContact O-N 2.87Å; E276-G280 WeakPolarHBondContact CA-O 3.37Å; E276-G280 PolarHBondContact N-O 3.43Å; E276-L282 HydrophobicContact CB-CG 4.13Å; E276-L282 HydrophobicContact CG-CD1 4.13Å; E276-L282 HydrophobicContact CG-CG 4.22Å; E276-L282 WeakPolarHBondContact OE1-CD1 3.25Å; E276-L282 WeakPolarHBondContact OE2-CD1 3.5Å; E276-L282 VanDerWaalsContact OE2-CG 3.29Å; E276-L282 WeakPolarHBondContact OE2-CG 3.49Å
277	A	87.6	Confident	82	Confident	41 Å²	41	51.9 Å²	51.9	34%	0.339	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-64.3	-13.9	-179.5	0	0	0	0	0	113.8	T246 K272 D275	T246-A277 HydrophobicContact CG2-CB 4.26Å; K272-A277 HydrophobicContact CD-CB 4.23Å; D275-A277 VanDerWaalsContact C-N 3.26Å; D275-A277 PolarHBondContact O-N 3.09Å
278	C	91.1	Very high	80.2	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-117.2	20.6	173.1	-60.1	0	0	0	0	112.4	F217 C219 T248 D275 E276 G280 A821	F217-C278 HydrophobicContact CE1-CB 4.22Å; C219-C278 VanDerWaalsContact CA-SG 3.51Å; C219-C278 HydrophobicContact CB-CB 3.59Å; C219-C278 WeakPolarHBondContact CB-SG 3.47Å; C219-C278 WeakPolarHBondContact SG-CB 3.44Å; C219-C278 PolarHBondContact SG-N 3.47Å; C219-C278 VanDerWaalsContact SG-N 3.38Å; C219-C278 CovalentContact SG-SG 2.04Å; C219-C278 PolarHBondContact SG-SG 2.96Å; T248-C278 HydrophobicContact CG2-CB 3.75Å; D275-C278 CarbonylContact O-C 3.54Å; D275-C278 PolarHBondContact O-N 3.29Å; E276-C278 PolarHBondContact O-N 2.91Å; C278-G280 VanDerWaalsContact C-N 3.29Å; C278-G280 PolarHBondContact O-N 3.39Å; C278-A821 HydrophobicContact CB-CB 3.73Å
279	G	85.9	Confident	78.2	Confident	39 Å²	39	64 Å²	64	40%	0.402	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	7.8	-179.8	0	0	0	0	0	115.2	D275 E276	D275-G279 PolarHBondContact O-N 3.24Å; E276-G279 PolarHBondContact O-N 2.87Å
280	G	84.3	Confident	76.5	Confident	2 Å²	2	69.8 Å²	69.8	2%	0.021	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-78.6	155.3	176.8	0	0	0	0	0	112.8	D275 E276 C278 L282	D275-G280 PolarHBondContact O-N 2.87Å; E276-G280 WeakPolarHBondContact CA-O 3.37Å; E276-G280 PolarHBondContact N-O 3.43Å; C278-G280 VanDerWaalsContact C-N 3.29Å; C278-G280 PolarHBondContact O-N 3.39Å; G280-L282 PolarHBondContact O-N 2.93Å
281	P	77.5	Confident	75.3	Confident	109 Å²	109	75.5 Å²	75.5	71%	0.708	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-70.9	121.4	-169.6	27.7	-35.1	0	0	0	113.3	R283	P281-R283 PolarHBondContact O-N 3.19Å
282	L	69.6	Low	74.2	Confident	38 Å²	38	80.1 Å²	80.1	20%	0.199	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-54.8	119.7	159.9	-89.9	168.6	0	0	0	110.6	L124 Y125 R127 E274 E276 G280 F284	L124-L282 HydrophobicContact CD2-CD1 4.49Å; Y125-L282 HydrophobicContact CE2-CD1 4.07Å; R127-L282 VanDerWaalsContact NH1-CD2 3.35Å; E274-L282 WeakPolarHBondContact OE1-CD2 3.41Å; E276-L282 HydrophobicContact CB-CG 4.13Å; E276-L282 HydrophobicContact CG-CD1 4.13Å; E276-L282 HydrophobicContact CG-CG 4.22Å; E276-L282 WeakPolarHBondContact OE1-CD1 3.25Å; E276-L282 WeakPolarHBondContact OE2-CD1 3.5Å; E276-L282 VanDerWaalsContact OE2-CG 3.29Å; E276-L282 WeakPolarHBondContact OE2-CG 3.49Å; G280-L282 PolarHBondContact O-N 2.93Å; L282-F284 PolarHBondContact O-N 3.38Å
283	R	65.8	Low	73.5	Confident	160 Å²	160	79.4 Å²	79.4	60%	0.604	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-67	128	167.8	-69.2	-175	-178.7	174.4	1.2	109.9	R127 P281 Y285	R127-R283 PolarHBondContact NH1-O 3.3Å; R127-R283 PolarHBondContact NH2-O 3.31Å; P281-R283 PolarHBondContact O-N 3.19Å; R283-Y285 HydrophobicContact CB-CD2 3.86Å; R283-Y285 HydrophobicContact CB-CE2 3.41Å; R283-Y285 VanDerWaalsContact CB-CE2 3.41Å; R283-Y285 WeakPolarHBondContact CD-OH 3.42Å; R283-Y285 HydrophobicContact CG-CE2 4.27Å; R283-Y285 PolarHBondContact NH1-OH 2.88Å; R283-Y285 PolarHBondContact O-N 3.43Å
284	F	57.5	Low	72.7	Confident	211 Å²	211	85.1 Å²	85.1	93%	0.925	45%	0.447	S	S	*	.			trans	-77.2	84.8	174	-69.8	-80.1	0	0	0	110.7	L282	L282-F284 PolarHBondContact O-N 3.38Å
285	Y	58.7	Low	71.7	Confident	84 Å²	84	85 Å²	85	33%	0.329	45%	0.45	S	S	.	.			trans	-87.3	145.8	161.7	-64	-75	0	0	0	109.6	R283 I293	R283-Y285 HydrophobicContact CB-CD2 3.86Å; R283-Y285 HydrophobicContact CB-CE2 3.41Å; R283-Y285 VanDerWaalsContact CB-CE2 3.41Å; R283-Y285 WeakPolarHBondContact CD-OH 3.42Å; R283-Y285 HydrophobicContact CG-CE2 4.27Å; R283-Y285 PolarHBondContact NH1-OH 2.88Å; R283-Y285 PolarHBondContact O-N 3.43Å; Y285-I293 HydrophobicContact CD2-CD1 4.13Å; Y285-I293 HydrophobicContact CD2-CG2 4.26Å; Y285-I293 HydrophobicContact CE2-CG2 3.88Å; Y285-I293 HydrophobicContact CG-CD1 4.41Å
286	P	57.1	Low	71	Confident	93 Å²	93	85.5 Å²	85.5	60%	0.604	46%	0.461	S	S	*	.			trans	-59.3	143.2	175.4	26.3	-34.4	0	0	0	110.6	Q288	P286-Q288 PolarHBondContact O-N 2.84Å
287	L	55	Low	70.7	Confident	149 Å²	149	88.9 Å²	88.9	78%	0.78	48%	0.482	S	S	*	.			trans	-78.8	63.2	-178.2	-71.1	167.3	0	0	0	111.7	P289	L287-P289 WeakPolarHBondContact O-CD 3.48Å
288	Q	59.2	Low	70.8	Confident	141 Å²	141	88.4 Å²	88.4	66%	0.659	47%	0.471	S	S	*	.			trans	-86.4	119.6	162	-65	-162.8	10.6	0	0	108.9	P286	P286-Q288 PolarHBondContact O-N 2.84Å
289	P	54.9	Low	70.9	Confident	112 Å²	112	91.4 Å²	91.4	73%	0.727	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	145.9	167.8	-21.9	34.1	0	0	0	110.7	L287 E291	L287-P289 WeakPolarHBondContact O-CD 3.48Å; P289-E291 PolarHBondContact O-N 2.7Å
290	D	60.3	Low	71.3	Confident	123 Å²	123	89.7 Å²	89.7	66%	0.658	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	0.3	170	-57.6	-52.4	0	0	0	119.3	K128	K128-D290 IonicContact NZ-OD1 3.94Å; K128-D290 PolarHBondContact NZ-OD1 3.45Å
291	E	70	Confident	71.9	Confident	120 Å²	120	95 Å²	95	56%	0.561	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-67.1	141.7	166.1	-167.9	169.5	-149.9	0	0	111.7	P289	P289-E291 PolarHBondContact O-N 2.7Å
292	L	73.8	Confident	72.8	Confident	97 Å²	97	89.8 Å²	89.8	51%	0.508	47%	0.465	S	S	.	.	B	Isolated β-bridge	trans	-90.4	119.3	175	-69.2	177.7	0	0	0	109.7	I120 K128 P130	I120-L292 HydrophobicContact CD1-CD2 4.35Å; K128-L292 HydrophobicContact CB-CD2 3.7Å; K128-L292 HydrophobicContact CD-CD2 4.27Å; P130-L292 HydrophobicContact CG-CB 4.26Å; P130-L292 HydrophobicContact CG-CD1 4.49Å
293	I	77.1	Confident	74.1	Confident	21 Å²	21	89.3 Å²	89.3	11%	0.108	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-95.1	128.1	-177.1	-53.3	179.3	0	0	0	109.3	R127 K128 Y129 P130 Y285 A295	R127-I293 HydrophobicContact CB-CD1 4.17Å; R127-I293 HydrophobicContact CG-CD1 3.99Å; K128-I293 PolarHBondContact O-N 2.91Å; Y129-I293 HydrophobicContact CD1-CB 4.1Å; Y129-I293 HydrophobicContact CD1-CG2 4.35Å; Y129-I293 VanDerWaalsContact CD1-O 3.27Å; Y129-I293 WeakPolarHBondContact CD1-O 3.44Å; Y129-I293 HydrophobicContact CE1-CB 3.73Å; Y129-I293 HydrophobicContact CE1-CG2 3.67Å; P130-I293 VanDerWaalsContact CD-O 3.28Å; P130-I293 WeakPolarHBondContact CD-O 3.3Å; Y285-I293 HydrophobicContact CD2-CD1 4.13Å; Y285-I293 HydrophobicContact CD2-CG2 4.26Å; Y285-I293 HydrophobicContact CE2-CG2 3.88Å; Y285-I293 HydrophobicContact CG-CD1 4.41Å; I293-A295 PolarHBondContact O-N 3.41Å
294	D	73.2	Confident	75.6	Confident	125 Å²	125	81.7 Å²	81.7	67%	0.668	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-68.3	123.9	168	-178.1	17.6	0	0	0	110.3	G296	D294-G296 VanDerWaalsContact C-N 3.31Å; D294-G296 PolarHBondContact OD1-N 3.03Å
295	A	69.1	Low	77.5	Confident	17 Å²	17	73.6 Å²	73.6	14%	0.14	40%	0.402	C	S	.	.			trans	-75.4	-21.8	175.9	0	0	0	0	0	112.7	Y129 Y131 I293 R298	Y129-A295 HydrophobicContact CD1-CB 3.82Å; Y131-A295 HydrophobicContact CE1-CB 4.1Å; Y131-A295 WeakPolarHBondContact OH-CB 3.46Å; I293-A295 PolarHBondContact O-N 3.41Å; A295-R298 HydrophobicContact CB-CG 4.38Å; A295-R298 WeakPolarHBondContact O-CG 3.47Å
296	G	74.5	Confident	79.3	Confident	38 Å²	38	69.7 Å²	69.7	39%	0.392	39%	0.386	S	S	.	.			trans	66.3	-171.4	-163.7	0	0	0	0	0	112.6	D294 R298	D294-G296 VanDerWaalsContact C-N 3.31Å; D294-G296 PolarHBondContact OD1-N 3.03Å; G296-R298 PolarHBondContact O-N 2.84Å
297	N	81.8	Confident	81.1	Confident	146 Å²	146	66 Å²	66	78%	0.781	36%	0.363	S	S	*	.			trans	-74.2	91	176.7	-175.1	5.6	0	0	0	111.3	T299	N297-T299 PolarHBondContact O-N 3.21Å; N297-T299 WeakPolarHBondContact OD1-CB 3.26Å; N297-T299 PolarHBondContact OD1-N 3.49Å; N297-T299 PolarHBondContact OD1-OG1 2.96Å
298	R	90.3	Very high	82.9	Confident	32 Å²	32	61.3 Å²	61.3	12%	0.121	34%	0.342	C	S	.	.			trans	-93.9	60.2	173.5	-63.5	-174.9	64.9	81.7	-4.7	111.7	S189 P190 P218 K272 T273 D275 A295 G296	S189-R298 WeakPolarHBondContact CA-O 3.34Å; S189-R298 WeakPolarHBondContact CB-O 3.36Å; P190-R298 WeakPolarHBondContact CD-O 3.46Å; P190-R298 HydrophobicContact CG-CB 4.17Å; P218-R298 HydrophobicContact CB-CB 4.42Å; K272-R298 VanDerWaalsContact O-CZ 3.3Å; K272-R298 PolarHBondContact O-NE 3.4Å; K272-R298 PolarHBondContact O-NH2 3.37Å; T273-R298 WeakPolarHBondContact O-CD 3.33Å; T273-R298 PolarHBondContact O-NE 2.99Å; D275-R298 VanDerWaalsContact CG-NH2 3.28Å; D275-R298 IonicContact OD1-CZ 3.16Å; D275-R298 IonicContact OD1-NH1 3.81Å; D275-R298 IonicContact OD1-NH2 2.73Å; D275-R298 PolarHBondContact OD1-NH2 2.9Å; D275-R298 IonicContact OD2-CZ 3.81Å; D275-R298 IonicContact OD2-NH1 2.79Å; D275-R298 PolarHBondContact OD2-NH1 2.91Å; D275-R298 IonicContact OD2-NH2 3.52Å; D275-R298 PolarHBondContact OD2-NH2 2.88Å; A295-R298 HydrophobicContact CB-CG 4.38Å; A295-R298 WeakPolarHBondContact O-CG 3.47Å; G296-R298 PolarHBondContact O-N 2.84Å
299	T	93.2	Very high	84.3	Confident	63 Å²	63	55.6 Å²	55.6	39%	0.387	32%	0.319	S	S	.	.			trans	-97.2	148.2	172.7	-55.6	0	0	0	0	110.2	A187 A188 N297	A187-T299 HydrophobicContact CB-CG2 4.07Å; A188-T299 CarbonylContact O-C 3.57Å; A188-T299 WeakPolarHBondContact O-CA 3.44Å; N297-T299 PolarHBondContact O-N 3.21Å; N297-T299 WeakPolarHBondContact OD1-CB 3.26Å; N297-T299 PolarHBondContact OD1-N 3.49Å; N297-T299 PolarHBondContact OD1-OG1 2.96Å
300	K	95.1	Very high	85.9	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.009	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	129.5	177.6	-165.7	174.8	-169.7	166.6	0	111.3	A187 A188 S213 V215 N216 P218 S220 T248 V271 L302	A187-K300 WeakPolarHBondContact CA-O 3.41Å; A188-K300 PolarHBondContact N-O 3.14Å; A188-K300 PolarHBondContact O-N 2.84Å; S213-K300 WeakPolarHBondContact OG-CE 3.27Å; V215-K300 HydrophobicContact CG2-CG 4.12Å; N216-K300 PolarHBondContact O-NZ 3.32Å; P218-K300 HydrophobicContact CG-CB 3.99Å; P218-K300 HydrophobicContact CG-CD 4.41Å; P218-K300 WeakPolarHBondContact O-CD 3.48Å; P218-K300 WeakPolarHBondContact O-CE 3.45Å; P218-K300 PolarHBondContact O-NZ 3.11Å; S220-K300 PolarHBondContact OG-NZ 3.32Å; T248-K300 PolarHBondContact O-NZ 3.1Å; V271-K300 HydrophobicContact CG2-CB 3.85Å; K300-L302 HydrophobicContact CB-CD1 4.41Å; K300-L302 HydrophobicContact CD-CD2 4.26Å; K300-L302 HydrophobicContact CD-CG 4.4Å; K300-L302 HydrophobicContact CG-CD1 4.48Å; K300-L302 HydrophobicContact CG-CG 4.19Å
301	D	96.8	Very high	87.1	Confident	113 Å²	113	51 Å²	51	60%	0.604	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	132.1	171.3	-58	-56.1	0	0	0	109.9	A187 S213	A187-D301 WeakPolarHBondContact CB-OD1 3.49Å; S213-D301 WeakPolarHBondContact CB-O 3.17Å; S213-D301 PolarHBondContact OG-O 2.9Å
302	L	96.4	Very high	87.8	Confident	1 Å²	1	50 Å²	50	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	136	-165.3	-75.2	152.5	0	0	0	110.3	S185 F186 A188 V211 N212 M247 V269 K300	S185-L302 WeakPolarHBondContact CA-O 3.46Å; F186-L302 HydrophobicContact CD2-CB 4.27Å; F186-L302 HydrophobicContact CE2-CB 3.86Å; F186-L302 HydrophobicContact CE2-CD1 3.99Å; F186-L302 HydrophobicContact CZ-CB 4.06Å; F186-L302 PolarHBondContact N-O 2.75Å; F186-L302 PolarHBondContact O-N 2.91Å; A188-L302 HydrophobicContact CB-CD1 4.02Å; V211-L302 HydrophobicContact CG1-CD2 4.04Å; N212-L302 WeakPolarHBondContact O-CA 3.44Å; M247-L302 HydrophobicContact CE-CD2 3.79Å; V269-L302 HydrophobicContact CG1-CD1 3.69Å; V269-L302 HydrophobicContact CG1-CD2 4.37Å; K300-L302 HydrophobicContact CB-CD1 4.41Å; K300-L302 HydrophobicContact CD-CD2 4.26Å; K300-L302 HydrophobicContact CD-CG 4.4Å; K300-L302 HydrophobicContact CG-CD1 4.48Å; K300-L302 HydrophobicContact CG-CG 4.19Å
303	D	96.8	Very high	88.5	Confident	27 Å²	27	51.1 Å²	51.1	14%	0.144	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	120.1	-179.5	-72.1	-40.6	0	0	0	110.3	K183 S185 V211 N212	K183-D303 WeakPolarHBondContact CE-OD1 3.45Å; K183-D303 WeakPolarHBondContact CE-OD2 3.22Å; K183-D303 IonicContact NZ-OD1 2.7Å; K183-D303 PolarHBondContact NZ-OD1 3.05Å; K183-D303 IonicContact NZ-OD2 3.79Å; K183-D303 PolarHBondContact NZ-OD2 2.9Å; S185-D303 VanDerWaalsContact CB-OD1 3.26Å; S185-D303 WeakPolarHBondContact CB-OD1 3.19Å; S185-D303 PolarHBondContact OG-OD1 3.29Å; V211-D303 CarbonylContact C-O 3.59Å; V211-D303 VanDerWaalsContact CA-O 3.29Å; V211-D303 WeakPolarHBondContact CA-O 3.35Å; N212-D303 HydrophobicContact CB-CB 4.33Å; N212-D303 PolarHBondContact N-O 3.22Å; N212-D303 PolarHBondContact O-N 3.39Å
304	V	96.9	Very high	89.1	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	135.8	174.5	178	0	0	0	0	110.2	L178 F184 F186 V209 K210 V211 V306	L178-V304 HydrophobicContact CD1-CG1 3.87Å; L178-V304 HydrophobicContact CD2-CG1 4.44Å; F184-V304 PolarHBondContact N-O 2.74Å; F184-V304 PolarHBondContact O-N 3.06Å; F186-V304 HydrophobicContact CE1-CB 4.32Å; F186-V304 HydrophobicContact CE1-CG2 3.51Å; F186-V304 HydrophobicContact CZ-CG2 3.86Å; V209-V304 HydrophobicContact CG1-CG1 4.13Å; K210-V304 WeakPolarHBondContact O-CA 3.21Å; V211-V304 HydrophobicContact CG1-CG2 4.09Å; V211-V304 HydrophobicContact CG2-CG2 4.09Å; V304-V306 HydrophobicContact CG1-CG2 4.38Å
305	V	97.1	Very high	90	Very high	41 Å²	41	49.1 Å²	49.1	25%	0.248	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	133.5	168.1	-177.7	0	0	0	0	107.6	K183 K210	K183-V305 HydrophobicContact CB-CG2 4.26Å; K183-V305 HydrophobicContact CG-CG2 4.48Å; K210-V305 PolarHBondContact N-O 2.65Å; K210-V305 PolarHBondContact O-N 3.28Å
306	V	96.9	Very high	91.1	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.012	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	109.4	169.6	-170.7	0	0	0	0	108	L178 T180 D181 Y198 V207 V209 V304	L178-V306 HydrophobicContact CB-CG2 4.45Å; L178-V306 HydrophobicContact CD1-CG2 4Å; T180-V306 CarbonylContact C-O 3.59Å; T180-V306 VanDerWaalsContact CA-O 3.3Å; T180-V306 WeakPolarHBondContact CA-O 3.49Å; D181-V306 PolarHBondContact N-O 3.27Å; Y198-V306 HydrophobicContact CD1-CG1 4.15Å; Y198-V306 HydrophobicContact CD2-CB 3.94Å; Y198-V306 HydrophobicContact CD2-CG1 3.89Å; Y198-V306 HydrophobicContact CD2-CG2 3.94Å; Y198-V306 HydrophobicContact CE1-CG1 3.86Å; Y198-V306 HydrophobicContact CE2-CB 3.74Å; Y198-V306 HydrophobicContact CE2-CG1 3.59Å; Y198-V306 HydrophobicContact CE2-CG2 4.27Å; Y198-V306 HydrophobicContact CG-CG1 4.16Å; Y198-V306 HydrophobicContact CG-CG2 4.39Å; V207-V306 HydrophobicContact CB-CG1 3.91Å; V207-V306 HydrophobicContact CG1-CG1 4.44Å; V207-V306 HydrophobicContact CG2-CG1 3.95Å; V209-V306 HydrophobicContact CG1-CG2 4.24Å; V209-V306 HydrophobicContact CG2-CG1 4.12Å; V209-V306 HydrophobicContact CG2-CG2 4.12Å; V304-V306 HydrophobicContact CG1-CG2 4.38Å
307	S	94.6	Very high	92.1	Very high	16 Å²	16	52.9 Å²	52.9	11%	0.112	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	154	177.3	62.5	0	0	0	0	110.8	D181 V207 I208	D181-S307 VanDerWaalsContact OD1-CA 3.24Å; D181-S307 WeakPolarHBondContact OD1-CA 3.33Å; D181-S307 WeakPolarHBondContact OD1-CB 3.29Å; V207-S307 CarbonylContact C-O 3.49Å; V207-S307 WeakPolarHBondContact CA-O 3.43Å; V207-S307 WeakPolarHBondContact CB-O 3.3Å; I208-S307 WeakPolarHBondContact CG2-OG 3.19Å; I208-S307 PolarHBondContact N-O 3.03Å; I208-S307 PolarHBondContact O-N 3.11Å; I208-S307 VanDerWaalsContact O-N 3.07Å
308	P	92.8	Very high	92.6	Very high	51 Å²	51	45.9 Å²	45.9	33%	0.331	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	145	167.2	-21.4	34	0	0	0	110.5	T180 D181 V204	T180-P308 HydrophobicContact CG2-CG 3.96Å; D181-P308 WeakPolarHBondContact OD1-CD 3.47Å; D181-P308 VanDerWaalsContact OD2-CD 3.3Å; D181-P308 WeakPolarHBondContact OD2-CD 3.48Å; V204-P308 HydrophobicContact CG1-CB 4.37Å
309	A	89.4	Confident	92.8	Very high	21 Å²	21	47.4 Å²	47.4	17%	0.174	26%	0.263	C	S	.	.			trans	-88.2	-179.3	168.7	0	0	0	0	0	110.2	T206	T206-A309 PolarHBondContact O-N 3.34Å
310	I	87	Confident	92.9	Very high	29 Å²	29	49.9 Å²	49.9	15%	0.149	27%	0.273	C	S	.	.			trans	-68.9	137.5	-174.9	55.8	156.7	0	0	0	113.5	K314 Y315 H535 S834 F835	I310-K314 HydrophobicContact CB-CB 4.17Å; I310-K314 HydrophobicContact CB-CG 4.42Å; I310-K314 HydrophobicContact CD1-CB 4.41Å; I310-Y315 HydrophobicContact CD1-CD2 3.84Å; I310-Y315 HydrophobicContact CD1-CE1 4.31Å; I310-Y315 HydrophobicContact CD1-CE2 3.39Å; I310-Y315 HydrophobicContact CD1-CG 4.47Å; I310-Y315 HydrophobicContact CG1-CD2 4.41Å; I310-Y315 HydrophobicContact CG1-CE2 3.68Å; I310-H535 HydrophobicContact CD1-CB 4.06Å; I310-H535 VanDerWaalsContact CD1-CD2 3.48Å; I310-H535 WeakPolarHBondContact CD1-CD2 3.34Å; I310-H535 VanDerWaalsContact CD1-CG 3.46Å; I310-S834 WeakPolarHBondContact CG2-O 3.38Å; I310-F835 HydrophobicContact CD1-CD2 3.44Å; I310-F835 VanDerWaalsContact CD1-CD2 3.44Å; I310-F835 HydrophobicContact CD1-CE2 3.59Å
311	N	85.3	Confident	92.9	Very high	108 Å²	108	53.1 Å²	53.1	58%	0.578	29%	0.288	S	S	*	.			trans	-70.4	157.2	175.7	-68.5	-12.2	0	0	0	112.2	E313 K314	N311-E313 PolarHBondContact O-N 3.34Å; N311-E313 VanDerWaalsContact O-N 3.15Å; N311-K314 WeakPolarHBondContact O-CB 3.27Å; N311-K314 PolarHBondContact O-N 2.91Å
312	S	85.8	Confident	92.8	Very high	100 Å²	100	47.8 Å²	47.8	70%	0.699	26%	0.259	S	S	*	.	H	α-helix	trans	-52.7	-34.2	175.1	52.5	0	0	0	0	113.9	K314 Y315 V316	S312-K314 VanDerWaalsContact C-N 3.27Å; S312-K314 PolarHBondContact O-N 3.15Å; S312-Y315 WeakPolarHBondContact O-CB 3.48Å; S312-Y315 PolarHBondContact O-N 3.44Å; S312-V316 PolarHBondContact O-N 3.2Å; S312-V316 VanDerWaalsContact O-N 3.17Å
313	E	88.5	Confident	92.7	Very high	120 Å²	120	51 Å²	51	56%	0.561	28%	0.275	S	S	*	.	H	α-helix	trans	-54.3	-40.2	172.9	-168.1	-163.7	162.1	0	0	112.6	N311 V316 I317	N311-E313 PolarHBondContact O-N 3.34Å; N311-E313 VanDerWaalsContact O-N 3.15Å; E313-V316 PolarHBondContact O-N 3.07Å; E313-I317 HydrophobicContact CG-CD1 3.91Å; E313-I317 WeakPolarHBondContact O-CG1 3.38Å; E313-I317 PolarHBondContact O-N 2.99Å
314	K	89.8	Confident	92.7	Very high	74 Å²	74	51.6 Å²	51.6	32%	0.322	29%	0.289	S	S	.	.	H	α-helix	trans	-68.8	-36.3	-179.6	-65	-64.8	-173	171.9	0	112.4	I310 N311 S312 V316 I317 G318	I310-K314 HydrophobicContact CB-CB 4.17Å; I310-K314 HydrophobicContact CB-CG 4.42Å; I310-K314 HydrophobicContact CD1-CB 4.41Å; N311-K314 WeakPolarHBondContact O-CB 3.27Å; N311-K314 PolarHBondContact O-N 2.91Å; S312-K314 VanDerWaalsContact C-N 3.27Å; S312-K314 PolarHBondContact O-N 3.15Å; K314-V316 VanDerWaalsContact C-N 3.35Å; K314-I317 PolarHBondContact O-N 3.46Å; K314-G318 PolarHBondContact O-N 3.47Å
315	Y	91.4	Very high	92.6	Very high	30 Å²	30	53.9 Å²	53.9	12%	0.118	30%	0.3	C	S	.	.	H	α-helix	trans	-60.7	-45	170.2	-70.7	-96.7	0	0	0	111	I310 S312 G318 M319 H535 P536 L537 F543 F835	I310-Y315 HydrophobicContact CD1-CD2 3.84Å; I310-Y315 HydrophobicContact CD1-CE1 4.31Å; I310-Y315 HydrophobicContact CD1-CE2 3.39Å; I310-Y315 HydrophobicContact CD1-CG 4.47Å; I310-Y315 HydrophobicContact CG1-CD2 4.41Å; I310-Y315 HydrophobicContact CG1-CE2 3.68Å; S312-Y315 WeakPolarHBondContact O-CB 3.48Å; S312-Y315 PolarHBondContact O-N 3.44Å; Y315-G318 PolarHBondContact O-N 2.94Å; Y315-M319 WeakPolarHBondContact O-CB 3.28Å; Y315-M319 WeakPolarHBondContact O-CE 3.32Å; Y315-M319 WeakPolarHBondContact O-CG 3.37Å; Y315-M319 PolarHBondContact O-N 3.49Å; Y315-H535 HydrophobicContact CE1-CB 4.25Å; Y315-P536 PolarHBondContact OH-O 3.33Å; Y315-P536 VanDerWaalsContact OH-O 3.09Å; Y315-L537 HydrophobicContact CD1-CD1 4.36Å; Y315-L537 HydrophobicContact CE1-CB 4.41Å; Y315-L537 HydrophobicContact CE1-CD1 4.28Å; Y315-F543 HydrophobicContact CD1-CD1 4.11Å; Y315-F543 HydrophobicContact CE1-CD1 4.35Å; Y315-F835 AromaticContact CD1-CE2 3.54Å; Y315-F835 HydrophobicContact CD1-CE2 3.54Å; Y315-F835 AromaticContact CD1-CZ 3.89Å; Y315-F835 HydrophobicContact CD1-CZ 3.89Å; Y315-F835 HydrophobicContact CD2-CE2 4.4Å; Y315-F835 AromaticContact CE1-CE2 3.88Å; Y315-F835 HydrophobicContact CE1-CE2 3.88Å; Y315-F835 HydrophobicContact CE1-CZ 4.27Å; Y315-F835 AromaticContact CG-CE2 3.81Å; Y315-F835 HydrophobicContact CG-CE2 3.81Å; Y315-F835 HydrophobicContact CG-CZ 4.49Å
316	V	93.6	Very high	92.5	Very high	75 Å²	75	52 Å²	52	46%	0.455	29%	0.289	S	S	.	.	H	α-helix	trans	-64.3	-45.1	178.8	176.6	0	0	0	0	111.3	S312 E313 K314 M319 L320	S312-V316 PolarHBondContact O-N 3.2Å; S312-V316 VanDerWaalsContact O-N 3.17Å; E313-V316 PolarHBondContact O-N 3.07Å; K314-V316 VanDerWaalsContact C-N 3.35Å; V316-M319 HydrophobicContact CG2-CE 4.39Å; V316-M319 PolarHBondContact O-N 3.46Å; V316-L320 HydrophobicContact CG1-CD1 3.83Å; V316-L320 HydrophobicContact CG1-CG 4.31Å; V316-L320 WeakPolarHBondContact O-CB 3.42Å; V316-L320 VanDerWaalsContact O-CG 3.3Å; V316-L320 WeakPolarHBondContact O-CG 3.43Å; V316-L320 PolarHBondContact O-N 2.88Å
317	I	93.7	Very high	92.5	Very high	59 Å²	59	56.2 Å²	56.2	30%	0.303	31%	0.311	S	S	.	.	H	α-helix	trans	-61.5	-44.9	176.1	-69.1	167.5	0	0	0	110.9	E313 K314 L320 F321 L833	E313-I317 HydrophobicContact CG-CD1 3.91Å; E313-I317 WeakPolarHBondContact O-CG1 3.38Å; E313-I317 PolarHBondContact O-N 2.99Å; K314-I317 PolarHBondContact O-N 3.46Å; I317-L320 PolarHBondContact O-N 3.18Å; I317-F321 WeakPolarHBondContact O-CB 3.46Å; I317-F321 PolarHBondContact O-N 3.02Å; I317-L833 HydrophobicContact CG2-CD1 4.25Å; I317-L833 HydrophobicContact CG2-CD2 4.19Å
318	G	93.4	Very high	92.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-61	-44.2	176.9	0	0	0	0	0	113	K314 Y315 F321 C322	K314-G318 PolarHBondContact O-N 3.47Å; Y315-G318 PolarHBondContact O-N 2.94Å; G318-F321 PolarHBondContact O-N 3.49Å; G318-C322 WeakPolarHBondContact O-CB 3.48Å; G318-C322 PolarHBondContact O-N 3.29Å
319	M	94.1	Very high	92.7	Very high	63 Å²	63	57.5 Å²	57.5	31%	0.31	32%	0.317	S	S	.	.	H	α-helix	trans	-64	-46.8	175.6	-72.9	-174.8	-67.3	0	0	112.4	Y315 V316 F321 C322 L323 F543 L547	Y315-M319 WeakPolarHBondContact O-CB 3.28Å; Y315-M319 WeakPolarHBondContact O-CE 3.32Å; Y315-M319 WeakPolarHBondContact O-CG 3.37Å; Y315-M319 PolarHBondContact O-N 3.49Å; V316-M319 HydrophobicContact CG2-CE 4.39Å; V316-M319 PolarHBondContact O-N 3.46Å; M319-F321 VanDerWaalsContact C-N 3.34Å; M319-F321 PolarHBondContact O-N 2.96Å; M319-C322 PolarHBondContact O-N 3.46Å; M319-L323 WeakPolarHBondContact O-CB 3.45Å; M319-L323 VanDerWaalsContact O-CG 3.28Å; M319-L323 WeakPolarHBondContact O-CG 3.38Å; M319-L323 PolarHBondContact O-N 2.85Å; M319-F543 HydrophobicContact CG-CE1 4.31Å; M319-F543 HydrophobicContact SD-CE1 4.15Å; M319-F543 HydrophobicContact SD-CZ 4.15Å; M319-L547 HydrophobicContact CB-CD2 4.41Å; M319-L547 HydrophobicContact CG-CD1 4.22Å; M319-L547 HydrophobicContact CG-CD2 3.75Å
320	L	95.4	Very high	93	Very high	115 Å²	115	59 Å²	59	60%	0.602	32%	0.319	S	S	*	.	H	α-helix	trans	-65.6	-35.7	178.3	-70.8	175.1	0	0	0	112.3	V316 I317 G324	V316-L320 HydrophobicContact CG1-CD1 3.83Å; V316-L320 HydrophobicContact CG1-CG 4.31Å; V316-L320 WeakPolarHBondContact O-CB 3.42Å; V316-L320 VanDerWaalsContact O-CG 3.3Å; V316-L320 WeakPolarHBondContact O-CG 3.43Å; V316-L320 PolarHBondContact O-N 2.88Å; I317-L320 PolarHBondContact O-N 3.18Å; L320-G324 WeakPolarHBondContact O-CA 3.48Å; L320-G324 PolarHBondContact O-N 2.79Å
321	F	94.8	Very high	93.4	Very high	71 Å²	71	61.7 Å²	61.7	31%	0.311	34%	0.336	S	S	.	.	H	α-helix	trans	-65.7	-51.1	175.4	177	-98.3	0	0	0	111.8	I317 G318 M319 G324 I325 L832 L833 F836 F844	I317-F321 WeakPolarHBondContact O-CB 3.46Å; I317-F321 PolarHBondContact O-N 3.02Å; G318-F321 PolarHBondContact O-N 3.49Å; M319-F321 VanDerWaalsContact C-N 3.34Å; M319-F321 PolarHBondContact O-N 2.96Å; F321-G324 PolarHBondContact O-N 3.18Å; F321-I325 HydrophobicContact CD1-CD1 3.95Å; F321-I325 HydrophobicContact CE1-CD1 3.45Å; F321-I325 VanDerWaalsContact CE1-CD1 3.45Å; F321-I325 HydrophobicContact CE2-CD1 4.14Å; F321-I325 HydrophobicContact CG-CD1 4.47Å; F321-I325 HydrophobicContact CZ-CD1 3.58Å; F321-I325 WeakPolarHBondContact O-CG1 3.39Å; F321-I325 PolarHBondContact O-N 2.93Å; F321-L832 HydrophobicContact CE1-CD2 3.79Å; F321-L832 HydrophobicContact CE1-CG 4.41Å; F321-L832 HydrophobicContact CZ-CD1 4.28Å; F321-L832 HydrophobicContact CZ-CD2 4.05Å; F321-L833 HydrophobicContact CB-CD1 3.68Å; F321-L833 HydrophobicContact CD1-CD1 3.68Å; F321-L833 HydrophobicContact CD2-CD1 3.85Å; F321-L833 HydrophobicContact CE1-CD1 4.21Å; F321-L833 HydrophobicContact CE2-CD1 4.35Å; F321-L833 HydrophobicContact CG-CD1 3.47Å; F321-L833 VanDerWaalsContact CG-CD1 3.47Å; F321-F836 HydrophobicContact CD1-CE2 4.17Å; F321-F844 HydrophobicContact CE1-CE2 4.4Å
322	C	94.6	Very high	93.8	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-57.3	-53.1	176.3	172.6	0	0	0	0	111.5	G318 M319 G324 I325 F326 L547 F844	G318-C322 WeakPolarHBondContact O-CB 3.48Å; G318-C322 PolarHBondContact O-N 3.29Å; M319-C322 PolarHBondContact O-N 3.46Å; C322-G324 VanDerWaalsContact C-N 3.32Å; C322-G324 PolarHBondContact O-N 2.7Å; C322-I325 PolarHBondContact O-N 2.98Å; C322-F326 WeakPolarHBondContact O-CD2 3.49Å; C322-F326 PolarHBondContact O-N 2.88Å; C322-L547 HydrophobicContact CB-CD1 3.95Å; C322-L547 HydrophobicContact CB-CD2 4.4Å; C322-L547 HydrophobicContact CB-CG 3.98Å; C322-L547 PolarHBondContact SG-O 3.32Å; C322-F844 HydrophobicContact CB-CE1 4.16Å; C322-F844 HydrophobicContact CB-CZ 4.19Å
323	L	95.1	Very high	94.1	Very high	68 Å²	68	58.6 Å²	58.6	36%	0.356	31%	0.313	S	S	.	.	H	α-helix	trans	-61.4	-40.3	178.5	-69.3	171.1	0	0	0	111.7	M319 I325 F326 L327 L550	M319-L323 WeakPolarHBondContact O-CB 3.45Å; M319-L323 VanDerWaalsContact O-CG 3.28Å; M319-L323 WeakPolarHBondContact O-CG 3.38Å; M319-L323 PolarHBondContact O-N 2.85Å; L323-I325 PolarHBondContact O-N 3.19Å; L323-F326 PolarHBondContact O-N 2.97Å; L323-L327 HydrophobicContact CB-CD1 4.31Å; L323-L327 WeakPolarHBondContact O-CB 3.43Å; L323-L327 WeakPolarHBondContact O-CG 3.47Å; L323-L327 PolarHBondContact O-N 3.39Å; L323-L550 HydrophobicContact CD2-CD2 3.88Å
324	G	95.9	Very high	94.3	Very high	41 Å²	41	58.1 Å²	58.1	42%	0.423	31%	0.313	S	S	.	.	H	α-helix	trans	-60.3	-43.5	177.9	0	0	0	0	0	113.2	L320 F321 C322 S328	L320-G324 WeakPolarHBondContact O-CA 3.48Å; L320-G324 PolarHBondContact O-N 2.79Å; F321-G324 PolarHBondContact O-N 3.18Å; C322-G324 VanDerWaalsContact C-N 3.32Å; C322-G324 PolarHBondContact O-N 2.7Å; G324-S328 PolarHBondContact O-N 2.99Å; G324-S328 VanDerWaalsContact O-N 3.15Å
325	I	95.3	Very high	94.4	Very high	47 Å²	47	59.2 Å²	59.2	24%	0.241	32%	0.322	C	S	.	.	H	α-helix	trans	-58.9	-56	174.8	-71.6	170.5	0	0	0	110.2	F321 C322 L323 S328 F329 I848	F321-I325 HydrophobicContact CD1-CD1 3.95Å; F321-I325 HydrophobicContact CE1-CD1 3.45Å; F321-I325 VanDerWaalsContact CE1-CD1 3.45Å; F321-I325 HydrophobicContact CE2-CD1 4.14Å; F321-I325 HydrophobicContact CG-CD1 4.47Å; F321-I325 HydrophobicContact CZ-CD1 3.58Å; F321-I325 WeakPolarHBondContact O-CG1 3.39Å; F321-I325 PolarHBondContact O-N 2.93Å; C322-I325 PolarHBondContact O-N 2.98Å; L323-I325 PolarHBondContact O-N 3.19Å; I325-S328 WeakPolarHBondContact O-CB 3.46Å; I325-S328 PolarHBondContact O-N 3.07Å; I325-S328 PolarHBondContact O-OG 2.81Å; I325-F329 HydrophobicContact CG2-CE2 4.44Å; I325-F329 WeakPolarHBondContact O-CD2 3.28Å; I325-I848 HydrophobicContact CG2-CD1 4.22Å
326	F	95.9	Very high	94.3	Very high	1 Å²	1	61.2 Å²	61.2	0%	0.004	34%	0.338	C	S	.	.	H	α-helix	trans	-72.8	-36	-172.5	-63.1	-61.1	0	0	0	113.3	C322 L323 S328 F329 Y330 G551 M554 L555 F844 I848	C322-F326 WeakPolarHBondContact O-CD2 3.49Å; C322-F326 PolarHBondContact O-N 2.88Å; L323-F326 PolarHBondContact O-N 2.97Å; F326-S328 PolarHBondContact O-N 2.89Å; F326-F329 PolarHBondContact O-N 3.29Å; F326-Y330 WeakPolarHBondContact O-CD2 3.48Å; F326-G551 VanDerWaalsContact CE1-CA 3.46Å; F326-M554 HydrophobicContact CB-CB 4.01Å; F326-M554 HydrophobicContact CB-CG 4.38Å; F326-M554 HydrophobicContact CG-CB 4.44Å; F326-L555 HydrophobicContact CD1-CD1 3.8Å; F326-L555 HydrophobicContact CD1-CD2 4.19Å; F326-L555 HydrophobicContact CD1-CG 3.8Å; F326-L555 HydrophobicContact CE1-CD1 3.75Å; F326-L555 HydrophobicContact CE1-CG 4.22Å; F326-F844 AromaticContact CE2-CD1 3.79Å; F326-F844 HydrophobicContact CE2-CD1 3.79Å; F326-F844 AromaticContact CE2-CE1 3.96Å; F326-F844 HydrophobicContact CE2-CE1 3.96Å; F326-F844 AromaticContact CZ-CD1 3.75Å; F326-F844 HydrophobicContact CZ-CD1 3.75Å; F326-F844 HydrophobicContact CZ-CE1 4.39Å; F326-I848 HydrophobicContact CE1-CD1 4.44Å; F326-I848 HydrophobicContact CE1-CG1 4.07Å
327	L	95.7	Very high	94	Very high	91 Å²	91	59 Å²	59	48%	0.476	33%	0.327	S	S	.	.	H	α-helix	trans	-64.8	-26.2	173.4	-68.8	171.2	0	0	0	112.5	L323 F329 Y330 V331	L323-L327 HydrophobicContact CB-CD1 4.31Å; L323-L327 WeakPolarHBondContact O-CB 3.43Å; L323-L327 WeakPolarHBondContact O-CG 3.47Å; L323-L327 PolarHBondContact O-N 3.39Å; L327-F329 VanDerWaalsContact C-N 3.26Å; L327-F329 PolarHBondContact O-N 3.35Å; L327-Y330 WeakPolarHBondContact O-CB 3.29Å; L327-Y330 PolarHBondContact O-N 3.41Å; L327-Y330 VanDerWaalsContact O-N 3.14Å; L327-V331 WeakPolarHBondContact O-CG2 3.35Å; L327-V331 PolarHBondContact O-N 2.91Å
328	S	96.3	Very high	93.7	Very high	62 Å²	62	59.1 Å²	59.1	43%	0.434	33%	0.333	S	S	.	.	H	α-helix	trans	-60.4	-35.2	174.3	81	0	0	0	0	112.6	G324 I325 F326 V331 L332	G324-S328 PolarHBondContact O-N 2.99Å; G324-S328 VanDerWaalsContact O-N 3.15Å; I325-S328 WeakPolarHBondContact O-CB 3.46Å; I325-S328 PolarHBondContact O-N 3.07Å; I325-S328 PolarHBondContact O-OG 2.81Å; F326-S328 PolarHBondContact O-N 2.89Å; S328-V331 PolarHBondContact O-N 3.44Å; S328-L332 VanDerWaalsContact O-CB 3.31Å; S328-L332 WeakPolarHBondContact O-CB 3.34Å; S328-L332 PolarHBondContact O-N 3.17Å
329	F	95.9	Very high	93.5	Very high	33 Å²	33	62.6 Å²	62.6	15%	0.145	35%	0.353	C	S	.	.	H	α-helix	trans	-68.8	-35.1	175.4	-71.2	-93.4	0	0	0	112.4	I325 F326 L327 T333 L555 L558 I848 F851	I325-F329 HydrophobicContact CG2-CE2 4.44Å; I325-F329 WeakPolarHBondContact O-CD2 3.28Å; F326-F329 PolarHBondContact O-N 3.29Å; L327-F329 VanDerWaalsContact C-N 3.26Å; L327-F329 PolarHBondContact O-N 3.35Å; F329-T333 VanDerWaalsContact O-CB 3.29Å; F329-T333 WeakPolarHBondContact O-CB 3.48Å; F329-T333 PolarHBondContact O-N 3.47Å; F329-T333 PolarHBondContact O-OG1 3.13Å; F329-L555 HydrophobicContact CB-CD2 3.95Å; F329-L555 HydrophobicContact CD1-CD2 4.39Å; F329-L555 HydrophobicContact CD2-CD2 4.08Å; F329-L555 HydrophobicContact CG-CD2 3.9Å; F329-L558 HydrophobicContact CB-CD2 3.57Å; F329-I848 HydrophobicContact CE1-CG2 4.33Å; F329-I848 HydrophobicContact CE2-CD1 4.04Å; F329-I848 HydrophobicContact CE2-CG1 4.05Å; F329-I848 HydrophobicContact CZ-CB 4.49Å; F329-I848 HydrophobicContact CZ-CD1 4.07Å; F329-I848 HydrophobicContact CZ-CG1 3.94Å; F329-I848 HydrophobicContact CZ-CG2 3.79Å; F329-F851 HydrophobicContact CD1-CD1 4.39Å; F329-F851 HydrophobicContact CD1-CE1 4.01Å
330	Y	96.1	Very high	93.1	Very high	52 Å²	52	63.7 Å²	63.7	20%	0.204	36%	0.358	C	S	.	.	H	α-helix	trans	-65	-46.5	172.2	-78.4	-102.1	0	0	0	111.1	F326 L327 T333 L334 M554 L558 L561	F326-Y330 WeakPolarHBondContact O-CD2 3.48Å; L327-Y330 WeakPolarHBondContact O-CB 3.29Å; L327-Y330 PolarHBondContact O-N 3.41Å; L327-Y330 VanDerWaalsContact O-N 3.14Å; Y330-T333 PolarHBondContact O-N 2.96Å; Y330-L334 WeakPolarHBondContact O-CB 3.4Å; Y330-L334 PolarHBondContact O-N 3.46Å; Y330-M554 HydrophobicContact CE2-CB 4.36Å; Y330-M554 PolarHBondContact OH-O 2.98Å; Y330-L558 HydrophobicContact CD1-CD1 3.86Å; Y330-L558 HydrophobicContact CD2-CB 4.46Å; Y330-L558 HydrophobicContact CD2-CD1 4.41Å; Y330-L558 HydrophobicContact CD2-CD2 4.18Å; Y330-L558 HydrophobicContact CE1-CB 4.27Å; Y330-L558 HydrophobicContact CE1-CD1 4.09Å; Y330-L558 HydrophobicContact CE2-CB 3.98Å; Y330-L558 HydrophobicContact CE2-CD2 4.44Å; Y330-L558 HydrophobicContact CG-CD1 4.05Å; Y330-L558 HydrophobicContact CG-CD2 4.49Å; Y330-L561 HydrophobicContact CE1-CD1 3.96Å
331	V	95.6	Very high	92.5	Very high	86 Å²	86	62.5 Å²	62.5	52%	0.521	35%	0.352	S	S	.	.	H	α-helix	trans	-61.7	-45.7	177	174.6	0	0	0	0	110.8	L327 S328 T333 L334 L335	L327-V331 WeakPolarHBondContact O-CG2 3.35Å; L327-V331 PolarHBondContact O-N 2.91Å; S328-V331 PolarHBondContact O-N 3.44Å; V331-T333 PolarHBondContact O-N 3.31Å; V331-L334 PolarHBondContact O-N 3.15Å; V331-L335 HydrophobicContact CG1-CD1 3.98Å; V331-L335 HydrophobicContact CG1-CG 4.37Å; V331-L335 WeakPolarHBondContact O-CB 3.44Å; V331-L335 VanDerWaalsContact O-CG 3.3Å; V331-L335 WeakPolarHBondContact O-CG 3.49Å; V331-L335 PolarHBondContact O-N 2.88Å
332	L	93.2	Very high	92	Very high	101 Å²	101	66.9 Å²	66.9	53%	0.529	37%	0.371	S	S	.	.	H	α-helix	trans	-59.8	-45.8	176.1	-179.7	61.2	0	0	0	111.8	S328 L334 L335 V336	S328-L332 VanDerWaalsContact O-CB 3.31Å; S328-L332 WeakPolarHBondContact O-CB 3.34Å; S328-L332 PolarHBondContact O-N 3.17Å; L332-L334 VanDerWaalsContact C-N 3.33Å; L332-L334 PolarHBondContact O-N 3.4Å; L332-L335 PolarHBondContact O-N 3.11Å; L332-V336 HydrophobicContact CD1-CG2 4.5Å; L332-V336 WeakPolarHBondContact O-CG2 3.04Å; L332-V336 PolarHBondContact O-N 2.76Å
333	T	91.8	Very high	91.3	Very high	41 Å²	41	75.8 Å²	75.8	25%	0.252	41%	0.405	S	S	.	.	H	α-helix	trans	-62.7	-40.1	177.8	-59	0	0	0	0	111.7	F329 Y330 V331 A337 L558 I562	F329-T333 VanDerWaalsContact O-CB 3.29Å; F329-T333 WeakPolarHBondContact O-CB 3.48Å; F329-T333 PolarHBondContact O-N 3.47Å; F329-T333 PolarHBondContact O-OG1 3.13Å; Y330-T333 PolarHBondContact O-N 2.96Å; V331-T333 PolarHBondContact O-N 3.31Å; T333-A337 WeakPolarHBondContact O-CB 3.49Å; T333-A337 PolarHBondContact O-N 3.27Å; T333-L558 HydrophobicContact CG2-CD1 4.12Å; T333-I562 HydrophobicContact CG2-CD1 3.91Å; T333-I562 HydrophobicContact CG2-CG1 3.79Å
334	L	92.7	Very high	90.1	Very high	110 Å²	110	78.4 Å²	78.4	58%	0.576	42%	0.416	S	S	*	.	H	α-helix	trans	-66.4	-44.5	175.6	-174.8	151.1	0	0	0	111.4	Y330 V331 L332 V336 A337 C338	Y330-L334 WeakPolarHBondContact O-CB 3.4Å; Y330-L334 PolarHBondContact O-N 3.46Å; V331-L334 PolarHBondContact O-N 3.15Å; L332-L334 VanDerWaalsContact C-N 3.33Å; L332-L334 PolarHBondContact O-N 3.4Å; L334-V336 PolarHBondContact O-N 3.11Å; L334-A337 PolarHBondContact O-N 3.4Å; L334-C338 WeakPolarHBondContact O-CB 3.46Å; L334-C338 PolarHBondContact O-N 3.09Å; L334-C338 PolarHBondContact O-SG 2.89Å; L334-C338 VanDerWaalsContact O-SG 3.35Å
335	L	91.8	Very high	89.1	Confident	98 Å²	98	82.8 Å²	82.8	51%	0.513	42%	0.424	S	S	.	.	H	α-helix	trans	-59.9	-45.4	175.4	-73	171.1	0	0	0	111.6	V331 L332 C338 V339	V331-L335 HydrophobicContact CG1-CD1 3.98Å; V331-L335 HydrophobicContact CG1-CG 4.37Å; V331-L335 WeakPolarHBondContact O-CB 3.44Å; V331-L335 VanDerWaalsContact O-CG 3.3Å; V331-L335 WeakPolarHBondContact O-CG 3.49Å; V331-L335 PolarHBondContact O-N 2.88Å; L332-L335 PolarHBondContact O-N 3.11Å; L335-C338 PolarHBondContact O-N 2.8Å; L335-V339 WeakPolarHBondContact O-CG2 3.26Å; L335-V339 PolarHBondContact O-N 2.7Å
336	V	88.7	Confident	87.9	Confident	72 Å²	72	89.9 Å²	89.9	44%	0.436	45%	0.448	S	S	.	.	H	α-helix	trans	-59.1	-48.3	174.1	170.3	0	0	0	0	110.6	L332 L334 C338 V339 E340	L332-V336 HydrophobicContact CD1-CG2 4.5Å; L332-V336 WeakPolarHBondContact O-CG2 3.04Å; L332-V336 PolarHBondContact O-N 2.76Å; L334-V336 PolarHBondContact O-N 3.11Å; V336-C338 VanDerWaalsContact C-N 3.32Å; V336-C338 PolarHBondContact O-N 3.24Å; V336-V339 PolarHBondContact O-N 2.9Å; V336-V339 VanDerWaalsContact O-N 3.14Å; V336-E340 HydrophobicContact CG1-CG 4.43Å; V336-E340 WeakPolarHBondContact O-CG 3.3Å; V336-E340 PolarHBondContact O-N 3.17Å
337	A	87.3	Confident	86.2	Confident	29 Å²	29	99.9 Å²	99.9	24%	0.24	49%	0.485	C	S	.	.	H	α-helix	trans	-62.1	-36.2	177.8	0	0	0	0	0	113.1	T333 L334 N341	T333-A337 WeakPolarHBondContact O-CB 3.49Å; T333-A337 PolarHBondContact O-N 3.27Å; L334-A337 PolarHBondContact O-N 3.4Å; A337-N341 VanDerWaalsContact O-CB 3.28Å; A337-N341 WeakPolarHBondContact O-CB 3.42Å; A337-N341 PolarHBondContact O-N 3.22Å
338	C	88.9	Confident	84.5	Confident	61 Å²	61	102.3 Å²	102.3	41%	0.412	49%	0.494	S	S	.	.	H	α-helix	trans	-68.1	-38.1	173.6	-74	0	0	0	0	112.5	L334 L335 V336 K342	L334-C338 WeakPolarHBondContact O-CB 3.46Å; L334-C338 PolarHBondContact O-N 3.09Å; L334-C338 PolarHBondContact O-SG 2.89Å; L334-C338 VanDerWaalsContact O-SG 3.35Å; L335-C338 PolarHBondContact O-N 2.8Å; V336-C338 VanDerWaalsContact C-N 3.32Å; V336-C338 PolarHBondContact O-N 3.24Å; C338-K342 WeakPolarHBondContact O-CB 3.35Å; C338-K342 WeakPolarHBondContact O-CG 3.49Å; C338-K342 PolarHBondContact O-N 3.34Å
339	V	88.8	Confident	82.4	Confident	72 Å²	72	106.5 Å²	106.5	44%	0.436	51%	0.509	S	S	.	.	H	α-helix	trans	-68.5	-43	175.2	169.8	0	0	0	0	111.2	L335 V336 K342 R343	L335-V339 WeakPolarHBondContact O-CG2 3.26Å; L335-V339 PolarHBondContact O-N 2.7Å; V336-V339 PolarHBondContact O-N 2.9Å; V336-V339 VanDerWaalsContact O-N 3.14Å; V339-K342 PolarHBondContact O-N 3.31Å; V339-R343 WeakPolarHBondContact O-CB 3.48Å; V339-R343 VanDerWaalsContact O-CG 3.32Å; V339-R343 WeakPolarHBondContact O-CG 3.38Å; V339-R343 PolarHBondContact O-N 3.29Å
340	E	84.5	Confident	80.1	Confident	86 Å²	86	112.1 Å²	112.1	40%	0.402	53%	0.534	S	S	.	.	H	α-helix	trans	-58.7	-49.5	173.2	-73.2	175.7	155.6	0	0	111.7	V336 K342 R343 M344 K565	V336-E340 HydrophobicContact CG1-CG 4.43Å; V336-E340 WeakPolarHBondContact O-CG 3.3Å; V336-E340 PolarHBondContact O-N 3.17Å; E340-K342 PolarHBondContact O-N 3.23Å; E340-R343 WeakPolarHBondContact O-CB 3.38Å; E340-R343 PolarHBondContact O-N 3.43Å; E340-R343 VanDerWaalsContact O-N 3.13Å; E340-M344 PolarHBondContact O-N 3.1Å; E340-K565 IonicContact OE2-NZ 2.61Å; E340-K565 PolarHBondContact OE2-NZ 3.2Å
341	N	83.9	Confident	77.4	Confident	90 Å²	90	114.6 Å²	114.6	48%	0.481	56%	0.556	S	S	.	*	H	α-helix	trans	-63.2	-40.9	179.6	-169.4	-6.1	0	0	0	111.5	A337 R343 M344 K345	A337-N341 VanDerWaalsContact O-CB 3.28Å; A337-N341 WeakPolarHBondContact O-CB 3.42Å; A337-N341 PolarHBondContact O-N 3.22Å; N341-R343 PolarHBondContact O-N 3.42Å; N341-M344 PolarHBondContact O-N 2.94Å; N341-K345 WeakPolarHBondContact O-CG 3.4Å; N341-K345 PolarHBondContact O-N 3.31Å
342	K	83.6	Confident	74.5	Confident	164 Å²	164	116.7 Å²	116.7	71%	0.713	56%	0.564	S	S	*	*	H	α-helix	trans	-62.6	-39.1	171.8	-78.4	179.9	176	-178.6	0	112.6	C338 V339 E340 R346	C338-K342 WeakPolarHBondContact O-CB 3.35Å; C338-K342 WeakPolarHBondContact O-CG 3.49Å; C338-K342 PolarHBondContact O-N 3.34Å; V339-K342 PolarHBondContact O-N 3.31Å; E340-K342 PolarHBondContact O-N 3.23Å; K342-R346 WeakPolarHBondContact O-CB 3.33Å; K342-R346 PolarHBondContact O-N 3.46Å
343	R	79.9	Confident	71.6	Confident	187 Å²	187	117 Å²	117	71%	0.706	57%	0.572	S	S	*	*	H	α-helix	trans	-66.5	-44.6	175.5	-76.6	175.1	176.2	-173.5	-0.9	111.8	V339 E340 N341 R346 R347	V339-R343 WeakPolarHBondContact O-CB 3.48Å; V339-R343 VanDerWaalsContact O-CG 3.32Å; V339-R343 WeakPolarHBondContact O-CG 3.38Å; V339-R343 PolarHBondContact O-N 3.29Å; E340-R343 WeakPolarHBondContact O-CB 3.38Å; E340-R343 PolarHBondContact O-N 3.43Å; E340-R343 VanDerWaalsContact O-N 3.13Å; N341-R343 PolarHBondContact O-N 3.42Å; R343-R346 PolarHBondContact O-N 2.93Å; R343-R347 WeakPolarHBondContact O-CB 3.14Å; R343-R347 PolarHBondContact O-N 3.24Å; R343-R347 VanDerWaalsContact O-N 3.09Å
344	M	70.8	Confident	69.1	Low	122 Å²	122	120.9 Å²	120.9	60%	0.601	60%	0.598	S	S	*	*	H	α-helix	trans	-60	-52.8	175.5	-76.3	-179.8	162.9	0	0	111.1	E340 N341 R346 R347 E348	E340-M344 PolarHBondContact O-N 3.1Å; N341-M344 PolarHBondContact O-N 2.94Å; M344-R346 VanDerWaalsContact C-N 3.32Å; M344-R346 PolarHBondContact O-N 3.4Å; M344-R347 CarbonylContact O-C 3.56Å; M344-R347 WeakPolarHBondContact O-CA 2.86Å; M344-R347 WeakPolarHBondContact O-CB 3.41Å; M344-R347 PolarHBondContact O-N 2.87Å; M344-E348 PolarHBondContact O-N 3.46Å
345	K	75	Confident	66.2	Low	133 Å²	133	122.7 Å²	122.7	58%	0.578	61%	0.608	S	S	*	*	H	α-helix	trans	-59.3	-37.6	177.8	-73	-168.3	175.3	-164	0	113.6	N341 R347 E348 M349	N341-K345 WeakPolarHBondContact O-CG 3.4Å; N341-K345 PolarHBondContact O-N 3.31Å; K345-R347 VanDerWaalsContact C-N 3.28Å; K345-R347 PolarHBondContact O-N 3.25Å; K345-E348 PolarHBondContact O-N 3.01Å; K345-M349 VanDerWaalsContact O-CB 3.3Å; K345-M349 WeakPolarHBondContact O-CB 3.17Å; K345-M349 PolarHBondContact O-N 3.13Å
346	R	69.7	Low	63.3	Low	197 Å²	197	123.4 Å²	123.4	74%	0.743	62%	0.617	S	S	*	*	H	α-helix	trans	-64.1	-34.6	173.8	-178.8	178.7	-82.9	-163.9	-5.3	111.9	K342 R343 M344 F350	K342-R346 WeakPolarHBondContact O-CB 3.33Å; K342-R346 PolarHBondContact O-N 3.46Å; R343-R346 PolarHBondContact O-N 2.93Å; M344-R346 VanDerWaalsContact C-N 3.32Å; M344-R346 PolarHBondContact O-N 3.4Å; R346-F350 PolarHBondContact O-N 3.36Å; R346-F350 VanDerWaalsContact O-N 3.12Å
347	R	60.8	Low	60.5	Low	210 Å²	210	123.3 Å²	123.3	79%	0.792	62%	0.62	S	S	*	*	H	α-helix	trans	-79	-28.1	179.1	-155.4	176.5	-166.9	-177.2	2.3	113.2	R343 M344 K345 F350	R343-R347 WeakPolarHBondContact O-CB 3.14Å; R343-R347 PolarHBondContact O-N 3.24Å; R343-R347 VanDerWaalsContact O-N 3.09Å; M344-R347 CarbonylContact O-C 3.56Å; M344-R347 WeakPolarHBondContact O-CA 2.86Å; M344-R347 WeakPolarHBondContact O-CB 3.41Å; M344-R347 PolarHBondContact O-N 2.87Å; K345-R347 VanDerWaalsContact C-N 3.28Å; K345-R347 PolarHBondContact O-N 3.25Å; R347-F350 CarbonylContact O-C 3.58Å
348	E	59.9	Low	57.9	Low	142 Å²	142	128.3 Å²	128.3	66%	0.664	65%	0.649	S	S	*	*	H	α-helix	trans	-74	-33.7	168.7	-68.2	175.7	145.7	0	0	111.8	M344 K345	M344-E348 PolarHBondContact O-N 3.46Å; K345-E348 PolarHBondContact O-N 3.01Å
349	M	51	Low	55.3	Low	150 Å²	150	128.9 Å²	128.9	74%	0.739	66%	0.659	S	S	*	*	H	α-helix	trans	-75.3	-27.6	177.7	-165.6	76.1	-170.2	0	0	113.5	K345	K345-M349 VanDerWaalsContact O-CB 3.3Å; K345-M349 WeakPolarHBondContact O-CB 3.17Å; K345-M349 PolarHBondContact O-N 3.13Å
350	F	46.9	Very low	52.7	Low	152 Å²	152	131.3 Å²	131.3	67%	0.667	67%	0.666	S	S	*	*	S	Bend	trans	-124.9	81.7	175.2	-74.9	-90	0	0	0	109.7	R346 R347 N352	R346-F350 PolarHBondContact O-N 3.36Å; R346-F350 VanDerWaalsContact O-N 3.12Å; R347-F350 CarbonylContact O-C 3.58Å; F350-N352 PolarHBondContact O-N 3.38Å
351	P	40.8	Very low	50.3	Low	104 Å²	104	133.7 Å²	133.7	68%	0.675	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-65.8	121.1	165	28.5	-32.5	0	0	0	108.7
352	N	34.2	Very low	47.9	Very low	130 Å²	130	133.6 Å²	133.6	70%	0.695	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-60.2	145.3	163.6	-73.5	12.1	0	0	0	108.6	F350	F350-N352 PolarHBondContact O-N 3.38Å
353	P	31.9	Very low	45.6	Very low	106 Å²	106	130 Å²	130	69%	0.688	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-58.1	154.2	162.5	29.1	-34.7	0	0	0	109.6	D355	P353-D355 PolarHBondContact O-N 2.91Å
354	P	38.9	Very low	43.4	Very low	124 Å²	124	128.6 Å²	128.6	81%	0.805	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-61.8	122.9	-178.5	25.6	-33.9	0	0	0	110.5	T356	P354-T356 PolarHBondContact O-N 3.11Å
355	D	32.6	Very low	41.9	Very low	147 Å²	147	131 Å²	131	79%	0.786	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-60.3	121.1	176.5	-68.1	-57.4	0	0	0	109.8	P353	P353-D355 PolarHBondContact O-N 2.91Å
356	T	31.4	Very low	39.8	Very low	113 Å²	113	128.5 Å²	128.5	69%	0.693	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-63.8	151.9	174.5	38.2	0	0	0	0	111	P354	P354-T356 PolarHBondContact O-N 3.11Å
357	S	29.1	Very low	38	Very low	71 Å²	71	128.7 Å²	128.7	50%	0.497	73%	0.731	S	S	.	*	P	Polyproline II helix	trans	-61	152.5	-172.3	77.5	0	0	0	0	112.7	A359	S357-A359 PolarHBondContact O-N 3.03Å
358	P	34.1	Very low	36.5	Very low	133 Å²	133	126.9 Å²	126.9	86%	0.864	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	14.2	-178	-22.2	34.7	0	0	0	116.7
359	A	34.3	Very low	34.9	Very low	74 Å²	74	123.3 Å²	123.3	61%	0.612	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-26	-175.4	0	0	0	0	0	114.3	S357	S357-A359 PolarHBondContact O-N 3.03Å
360	E	32.5	Very low	33.9	Very low	123 Å²	123	124.4 Å²	124.4	58%	0.575	75%	0.748	S	S	*	*	S	Bend	trans	-94.1	-22.5	-170.1	-65.6	-170.4	119.9	0	0	114.5	A362 S363	E360-A362 PolarHBondContact O-N 3.18Å; E360-S363 PolarHBondContact O-N 3.09Å; E360-S363 VanDerWaalsContact O-N 3.11Å; E360-S363 PolarHBondContact O-OG 3.21Å
361	T	35.2	Very low	33	Very low	135 Å²	135	120.6 Å²	120.6	83%	0.828	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-7.3	-179.5	-23.5	0	0	0	0	113.9
362	A	34.1	Very low	32.4	Very low	88 Å²	88	125.7 Å²	125.7	73%	0.727	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	-10.1	177	0	0	0	0	0	114.3	E360	E360-A362 PolarHBondContact O-N 3.18Å
363	S	34.3	Very low	31.9	Very low	89 Å²	89	125.8 Å²	125.8	62%	0.622	77%	0.768	S	S	*	*	S	Bend	trans	-92.3	-12.9	-172.3	69	0	0	0	0	115.1	E360	E360-S363 PolarHBondContact O-N 3.09Å; E360-S363 VanDerWaalsContact O-N 3.11Å; E360-S363 PolarHBondContact O-OG 3.21Å
364	L	34.9	Very low	32.1	Very low	157 Å²	157	126.4 Å²	126.4	82%	0.822	77%	0.772	S	S	*	*	S	Bend	trans	-96.4	0.8	-173.3	-80	167.7	0	0	0	115.4
365	L	37.6	Very low	31.4	Very low	173 Å²	173	125 Å²	125	91%	0.906	77%	0.771	S	S	*	*	S	Bend	trans	-135.3	76.1	178	-87.3	169.7	0	0	0	111.7
366	G	32	Very low	31.1	Very low	80 Å²	80	123.4 Å²	123.4	83%	0.825	77%	0.771	S	S	*	*			trans	159.8	75.2	172.6	0	0	0	0	0	115.2
367	K	30.8	Very low	31	Very low	201 Å²	201	123.1 Å²	123.1	87%	0.874	77%	0.772	S	S	*	*			trans	-132.1	93.2	169.7	-166.2	177.3	-173	178.4	0	111.3
368	N	29.3	Very low	30.8	Very low	172 Å²	172	130.6 Å²	130.6	92%	0.92	79%	0.79	S	S	*	*			trans	-169.4	142.7	163.9	-95.4	-24.1	0	0	0	109
369	G	28.2	Very low	30.4	Very low	68 Å²	68	133.1 Å²	133.1	70%	0.701	79%	0.791	S	S	*	*	S	Bend	trans	94.1	99.2	166.6	0	0	0	0	0	116.7
370	D	28.3	Very low	30	Very low	173 Å²	173	140.7 Å²	140.7	93%	0.925	81%	0.805	S	S	*	*			trans	49.8	136.5	141.7	-52.5	-22.8	0	0	0	121.9
371	G	29.2	Very low	29.8	Very low	71 Å²	71	137.9 Å²	137.9	73%	0.732	81%	0.809	S	S	*	*			trans	-101.4	155.8	-171.2	0	0	0	0	0	115.9
372	K	27.4	Very low	29.4	Very low	212 Å²	212	136.5 Å²	136.5	92%	0.922	81%	0.805	S	S	*	*			trans	-164.2	131.6	147.7	-106.9	158.1	-172.4	173.4	0	111
373	T	24.8	Very low	29	Very low	132 Å²	132	142.1 Å²	142.1	81%	0.81	81%	0.813	S	S	*	*			trans	-73.7	167.6	154.2	40	0	0	0	0	109.1
374	P	35.5	Very low	28.7	Very low	118 Å²	118	141.8 Å²	141.8	77%	0.766	82%	0.816	S	S	*	*			cis	-148.7	-168.6	29.5	44.5	-23.7	0	0	0	118.1
375	A	24.4	Very low	28.4	Very low	94 Å²	94	142.2 Å²	142.2	78%	0.777	82%	0.819	S	S	*	*			trans	85.3	114.1	147.4	0	0	0	0	0	120.1
376	S	25.8	Very low	27.9	Very low	114 Å²	114	142 Å²	142	80%	0.797	82%	0.819	S	S	*	*			trans	-94.7	162.4	151	56.8	0	0	0	0	110.6
377	P	29.1	Very low	27.6	Very low	108 Å²	108	141.1 Å²	141.1	70%	0.701	81%	0.81	S	S	*	*			trans	-114.5	123.6	160.2	1.7	20.6	0	0	0	113.3
378	Y	26	Very low	27.5	Very low	227 Å²	227	136.9 Å²	136.9	89%	0.89	81%	0.806	S	S	*	*			trans	63.2	107.2	151.8	-61.4	-72.3	0	0	0	122
379	E	25.2	Very low	27.3	Very low	186 Å²	186	134.5 Å²	134.5	87%	0.869	80%	0.798	S	S	*	*			trans	-81.3	162	143.4	-64.3	178.5	103.7	0	0	112.1
380	Y	26	Very low	27.2	Very low	234 Å²	234	139.3 Å²	139.3	92%	0.918	81%	0.806	S	S	*	*			trans	-152.5	113.6	145	-140.5	-98	0	0	0	104.8
381	G	27.4	Very low	27	Very low	63 Å²	63	135.6 Å²	135.6	65%	0.649	79%	0.794	S	S	*	*				82.9	125.5	70.3	0	0	0	0	0	109.1
382	S	27.1	Very low	26.8	Very low	107 Å²	107	137.3 Å²	137.3	75%	0.748	80%	0.795	S	S	*	*			cis	-154	-176.6	6.2	58.9	0	0	0	0	107.9
383	F	25.8	Very low	26.8	Very low	205 Å²	205	136.7 Å²	136.7	90%	0.899	80%	0.795	S	S	*	*			cis	-145.9	-132.4	13.5	-139.2	-57	0	0	0	109.8
384	A	28.2	Very low	26.9	Very low	83 Å²	83	134.8 Å²	134.8	69%	0.686	79%	0.792	S	S	*	*			trans	-151.4	164.4	179.6	0	0	0	0	0	111.8
385	D	27.7	Very low	26.4	Very low	165 Å²	165	137.3 Å²	137.3	88%	0.882	80%	0.798	S	S	*	*			trans	-157.9	162.7	139.4	-126.8	-27.5	0	0	0	112.6
386	N	27.4	Very low	26.5	Very low	169 Å²	169	138.4 Å²	138.4	90%	0.904	80%	0.795	S	S	*	*			trans	-127.7	150.7	-169.9	-98.8	-37.2	0	0	0	113.8
387	G	26.6	Very low	26.5	Very low	62 Å²	62	139.9 Å²	139.9	64%	0.639	79%	0.794	S	S	*	*			trans	143.1	123.9	165.5	0	0	0	0	0	112.7
388	S	27.4	Very low	26.4	Very low	112 Å²	112	141 Å²	141	78%	0.783	80%	0.804	S	S	*	*				76.1	133.2	53.8	76.7	0	0	0	0	113.5
389	T	25.5	Very low	26.4	Very low	122 Å²	122	134.7 Å²	134.7	75%	0.748	80%	0.799	S	S	*	*			cis	-174	162.9	-5.9	17.8	0	0	0	0	108.3
390	L	25.4	Very low	26.5	Very low	168 Å²	168	133.1 Å²	133.1	88%	0.88	80%	0.802	S	S	*	*			trans	65.6	160.4	170.2	-90.9	67.3	0	0	0	115.4
391	S	24.3	Very low	26.4	Very low	95 Å²	95	127.2 Å²	127.2	66%	0.664	80%	0.795	S	S	*	*			cis	-151	157.3	-12.2	55.9	0	0	0	0	107.3
392	S	25.5	Very low	26.4	Very low	108 Å²	108	130.5 Å²	130.5	76%	0.755	80%	0.803	S	S	*	*				44.4	130.4	72.2	-48.5	0	0	0	0	113.3
393	E	27.4	Very low	26.4	Very low	199 Å²	199	131.6 Å²	131.6	93%	0.93	80%	0.8	S	S	*	*			cis	-138.9	-168.2	15.1	-68.2	-171.8	114.3	0	0	114.1
394	A	26.2	Very low	26.4	Very low	91 Å²	91	128.1 Å²	128.1	75%	0.752	79%	0.791	S	S	*	*			trans	-91.9	177.2	-174.2	0	0	0	0	0	115.2
395	I	26.1	Very low	26.2	Very low	172 Å²	172	129.7 Å²	129.7	88%	0.882	79%	0.788	S	S	*	*			trans	-173.2	163.4	141.2	-98.7	155	0	0	0	110.9
396	T	26.8	Very low	26.2	Very low	116 Å²	116	132.1 Å²	132.1	71%	0.712	79%	0.786	S	S	*	*			trans	-105.9	161.4	-164.7	47.3	0	0	0	0	116.3
397	D	25.6	Very low	26	Very low	146 Å²	146	127 Å²	127	78%	0.781	77%	0.773	S	S	*	*			trans	47.2	124.9	147.8	-60.1	-10.6	0	0	0	122.2
398	S	26.6	Very low	25.9	Very low	131 Å²	131	134.7 Å²	134.7	92%	0.916	78%	0.784	S	S	*	*				167.6	175.1	105.1	51.2	0	0	0	0	112.1
399	A	27	Very low	25.8	Very low	94 Å²	94	136 Å²	136	78%	0.777	78%	0.782	S	S	*	*			trans	-112.5	163.9	-167.2	0	0	0	0	0	114
400	T	26.5	Very low	25.8	Very low	153 Å²	153	133.7 Å²	133.7	94%	0.939	78%	0.783	S	S	*	*			trans	-149.3	156.5	157.2	19.7	0	0	0	0	110.7
401	S	24.3	Very low	25.7	Very low	110 Å²	110	133.7 Å²	133.7	77%	0.769	78%	0.778	S	S	*	*			trans	-150.1	129.3	-172.7	57.8	0	0	0	0	112.4
402	T	27.6	Very low	25.6	Very low	132 Å²	132	136.7 Å²	136.7	81%	0.81	78%	0.782	S	S	*	*			trans	-159	147.3	172.7	40.4	0	0	0	0	108.2
403	D	25.7	Very low	26.1	Very low	130 Å²	130	136 Å²	136	70%	0.695	77%	0.774	S	S	*	*			cis	-154.5	-178.3	-10.6	-135.3	-52.3	0	0	0	111.9
404	N	26.3	Very low	25.9	Very low	133 Å²	133	134.8 Å²	134.8	71%	0.711	77%	0.766	S	S	*	*			trans	-56.5	172.4	175.9	-62.2	-81.1	0	0	0	113.9
405	N	25.4	Very low	25.8	Very low	116 Å²	116	138.9 Å²	138.9	62%	0.62	77%	0.767	S	S	*	*			cis	-150.8	-162.7	14.5	-140.5	-19.8	0	0	0	107.9
406	Y	27	Very low	25.7	Very low	216 Å²	216	142.3 Å²	142.3	85%	0.847	77%	0.769	S	S	*	*			cis	-155.1	173.8	9	-114.4	-53.6	0	0	0	108.3
407	G	23	Very low	25.6	Very low	60 Å²	60	146.3 Å²	146.3	62%	0.619	77%	0.771	S	S	*	*			trans	-164.6	172.3	168.6	0	0	0	0	0	114
408	Y	24.3	Very low	25.7	Very low	224 Å²	224	145.1 Å²	145.1	88%	0.878	77%	0.771	S	S	*	*			trans	-165.8	175.8	158.3	-130.2	-109	0	0	0	113.7
409	L	26.2	Very low	25.5	Very low	140 Å²	140	146 Å²	146	73%	0.733	76%	0.759	S	S	*	*			trans	-65.7	163.3	-171.8	-74.7	56	0	0	0	114.3
410	G	23.7	Very low	25.4	Very low	74 Å²	74	148.2 Å²	148.2	76%	0.763	76%	0.757	S	S	*	*			cis	-177.3	-150.5	8.6	0	0	0	0	0	110
411	Q	23.6	Very low	25.3	Very low	168 Å²	168	148.1 Å²	148.1	79%	0.785	75%	0.751	S	S	*	*			cis	-174.6	131.6	-8.8	171.6	177.3	-34.5	0	0	110.8
412	E	23.1	Very low	25.2	Very low	158 Å²	158	150.8 Å²	150.8	74%	0.738	75%	0.75	S	S	*	*			trans	62	165.5	160.7	-67.7	-72.6	89.1	0	0	120.6
413	P	35.3	Very low	25	Very low	93 Å²	93	152.3 Å²	152.3	60%	0.604	75%	0.753	S	S	*	*			cis	-143.3	176.1	-47.4	41.3	-24.7	0	0	0	118.1
414	F	23.7	Very low	25	Very low	173 Å²	173	152.5 Å²	152.5	76%	0.759	75%	0.749	S	S	*	*			trans	84	133.5	141.6	-102.8	-62.2	0	0	0	125.5
415	K	23.1	Very low	24.9	Very low	177 Å²	177	153.4 Å²	153.4	77%	0.77	75%	0.749	S	S	*	*			trans	82.1	104.2	138.8	-106.9	156.2	-174.2	168.5	0	122.1
416	R	24.9	Very low	24.8	Very low	245 Å²	245	156.5 Å²	156.5	93%	0.925	76%	0.764	S	S	*	*				-175.9	156	102.6	-99	176.9	-179.3	-178.3	1.5	113.4
417	R	24.2	Very low	24.6	Very low	200 Å²	200	150 Å²	150	76%	0.755	76%	0.755	S	S	*	*			trans	-112.1	165.3	164.9	-62.7	-174.5	179.7	176.7	1.6	109.1	F419	R417-F419 HydrophobicContact CB-CD2 4.38Å
418	P	28	Very low	24.7	Very low	120 Å²	120	154.8 Å²	154.8	78%	0.779	77%	0.765	S	S	*	*				-126.5	160.8	81.1	40.9	-31.4	0	0	0	111.6
419	F	23	Very low	24.6	Very low	151 Å²	151	153.2 Å²	153.2	66%	0.662	76%	0.758	S	S	*	*				54.4	139	57.7	-73.4	-87.8	0	0	0	114.1	R417	R417-F419 HydrophobicContact CB-CD2 4.38Å
420	L	24	Very low	24.6	Very low	139 Å²	139	154 Å²	154	73%	0.728	76%	0.761	S	S	*	*			cis	-173	141.5	-26.5	-178.8	77.2	0	0	0	106.8
421	N	24.3	Very low	24.8	Very low	152 Å²	152	156.9 Å²	156.9	81%	0.813	76%	0.755	S	S	*	*			trans	-176.6	147.7	134.3	-98.5	-14.8	0	0	0	115.2
422	H	23.3	Very low	24.9	Very low	165 Å²	165	160.3 Å²	160.3	76%	0.764	76%	0.76	S	S	*	*			trans	-60	161.9	162.2	-95.3	-54.1	0	0	0	111.2
423	L	23.9	Very low	24.9	Very low	165 Å²	165	158.2 Å²	158.2	86%	0.864	76%	0.763	S	S	*	*			cis	-143.2	172	42.7	-157.7	67.4	0	0	0	112.8
424	H	24.3	Very low	24.5	Very low	134 Å²	134	161.4 Å²	161.4	62%	0.62	77%	0.774	S	S	*	*			trans	-133.9	173.4	-166.5	-162.7	-105.6	0	0	0	111.9
425	H	24.4	Very low	24.5	Very low	151 Å²	151	160 Å²	160	70%	0.699	77%	0.774	S	S	*	*			trans	78.5	96.9	175.3	-58.5	-87.5	0	0	0	119.2
426	L	22.9	Very low	24.6	Very low	181 Å²	181	157.2 Å²	157.2	95%	0.948	78%	0.778	S	S	*	*				-141.1	92	102.1	-153.2	85.2	0	0	0	109.9
427	A	24.3	Very low	24.7	Very low	79 Å²	79	151.7 Å²	151.7	65%	0.653	77%	0.771	S	S	*	*			trans	-108.9	121.8	-177	0	0	0	0	0	110.9
428	I	25.3	Very low	24.7	Very low	161 Å²	161	146.8 Å²	146.8	83%	0.826	77%	0.773	S	S	*	*			trans	-90	118.8	168.4	-65.7	179.5	0	0	0	108.1
429	R	21.9	Very low	24.6	Very low	192 Å²	192	153.2 Å²	153.2	73%	0.725	78%	0.782	S	S	*	*			trans	-68.9	126.3	-179.4	173.5	-169.6	-92.1	-146.7	3.4	110.8	E431	R429-E431 VanDerWaalsContact CD-OE2 3.25Å; R429-E431 WeakPolarHBondContact CD-OE2 3.21Å; R429-E431 HydrophobicContact CG-CG 4.2Å; R429-E431 IonicContact CZ-OE1 3.68Å; R429-E431 IonicContact CZ-OE2 3.28Å; R429-E431 VanDerWaalsContact CZ-OE2 3.28Å; R429-E431 IonicContact NE-OE2 3.49Å; R429-E431 PolarHBondContact NE-OE2 3.43Å; R429-E431 VanDerWaalsContact NH1-CD 3.35Å; R429-E431 IonicContact NH1-OE1 3.4Å; R429-E431 PolarHBondContact NH1-OE1 3.41Å; R429-E431 IonicContact NH1-OE2 2.68Å; R429-E431 PolarHBondContact NH1-OE2 3.29Å
430	I	26.6	Very low	24.5	Very low	157 Å²	157	151.1 Å²	151.1	81%	0.805	79%	0.786	S	S	*	*			trans	-127.6	103.7	154.7	-61	-178.7	0	0	0	107.2
431	E	26.8	Very low	24.7	Very low	134 Å²	134	155.4 Å²	155.4	63%	0.626	79%	0.792	S	S	*	*			trans	-82.5	128.9	166.8	-78.5	160.8	131.6	0	0	109.4	R429	R429-E431 VanDerWaalsContact CD-OE2 3.25Å; R429-E431 WeakPolarHBondContact CD-OE2 3.21Å; R429-E431 HydrophobicContact CG-CG 4.2Å; R429-E431 IonicContact CZ-OE1 3.68Å; R429-E431 IonicContact CZ-OE2 3.28Å; R429-E431 VanDerWaalsContact CZ-OE2 3.28Å; R429-E431 IonicContact NE-OE2 3.49Å; R429-E431 PolarHBondContact NE-OE2 3.43Å; R429-E431 VanDerWaalsContact NH1-CD 3.35Å; R429-E431 IonicContact NH1-OE1 3.4Å; R429-E431 PolarHBondContact NH1-OE1 3.41Å; R429-E431 IonicContact NH1-OE2 2.68Å; R429-E431 PolarHBondContact NH1-OE2 3.29Å
432	R	25.6	Very low	24.9	Very low	239 Å²	239	157 Å²	157	90%	0.902	79%	0.794	S	S	*	*			trans	-150.8	150.6	153	-123.6	175.5	176.8	115.4	1.5	109.5
433	S	23.1	Very low	25.2	Very low	114 Å²	114	156 Å²	156	80%	0.797	79%	0.79	S	S	*	*			trans	-62.5	135	-163.1	47.2	0	0	0	0	114.1
434	L	27.4	Very low	25.6	Very low	160 Å²	160	151.1 Å²	151.1	84%	0.838	77%	0.77	S	S	*	*			trans	-62.6	129.4	146.9	-98.6	73.9	0	0	0	107.9
435	D	24	Very low	26.4	Very low	143 Å²	143	152.4 Å²	152.4	77%	0.765	78%	0.781	S	S	*	*				-160	169.5	108.1	-110.6	-34.6	0	0	0	111.1
436	S	24.2	Very low	26.8	Very low	120 Å²	120	150.4 Å²	150.4	84%	0.839	78%	0.784	S	S	*	*			trans	58.8	51	-177.2	71.5	0	0	0	0	116.7
437	V	26.5	Very low	27.4	Very low	129 Å²	129	145.8 Å²	145.8	78%	0.782	77%	0.767	S	S	*	*			trans	-119.1	97.6	158.7	-178.8	0	0	0	0	109.7
438	A	24.7	Very low	28.1	Very low	96 Å²	96	144.9 Å²	144.9	79%	0.793	75%	0.753	S	S	*	*			trans	-116.3	128.1	172	0	0	0	0	0	109.9
439	R	25.3	Very low	29	Very low	256 Å²	256	144.3 Å²	144.3	97%	0.966	75%	0.747	S	S	*	*			trans	56.3	64.8	179.2	-70	-174.7	167	133.7	-2.4	116.2
440	S	22.6	Very low	30.1	Very low	107 Å²	107	137.3 Å²	137.3	75%	0.748	72%	0.722	S	S	*	*			trans	-89.7	114.5	136.6	-175.9	0	0	0	0	107.6
441	R	27.4	Very low	31.2	Very low	228 Å²	228	136.3 Å²	136.3	86%	0.86	72%	0.719	S	S	*	*			trans	-88.5	133.2	173.5	-167.2	178	-172	175.9	1.5	108	E443	R441-E443 PolarHBondContact O-N 3.24Å
442	Q	29.4	Very low	32.1	Very low	185 Å²	185	136.2 Å²	136.2	86%	0.864	72%	0.722	S	S	*	*			trans	-66.6	94.9	-179.9	-163.5	91.3	-5.4	0	0	110.3	S444	Q442-S444 PolarHBondContact O-N 3.37Å
443	E	29.5	Very low	33.1	Very low	145 Å²	145	128.5 Å²	128.5	68%	0.678	69%	0.694	S	S	*	*			trans	-75.4	117.8	172.1	-76.4	-175.4	174	0	0	110.6	R441 K487	R441-E443 PolarHBondContact O-N 3.24Å; E443-K487 IonicContact OE2-NZ 2.7Å
444	S	30.6	Very low	34.2	Very low	63 Å²	63	124.8 Å²	124.8	44%	0.441	67%	0.665	S	S	.	*			trans	-73.2	137.7	173.7	40.1	0	0	0	0	111.8	Q442 S446 S447	Q442-S444 PolarHBondContact O-N 3.37Å; S444-S446 PolarHBondContact O-N 3.29Å; S444-S447 PolarHBondContact O-OG 3.37Å; S444-S447 PolarHBondContact OG-OG 3.46Å
445	L	42.8	Very low	35.1	Very low	160 Å²	160	120.1 Å²	120.1	84%	0.838	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	7.9	177	-72.8	166.4	0	0	0	115.3
446	S	32.3	Very low	36.2	Very low	109 Å²	109	119.3 Å²	119.3	76%	0.762	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122	9.5	-169.2	63.4	0	0	0	0	114.4	S444	S444-S446 PolarHBondContact O-N 3.29Å
447	S	35.4	Very low	37.3	Very low	85 Å²	85	121.4 Å²	121.4	59%	0.594	64%	0.635	S	S	*	*	S	Bend	trans	-137.4	44.8	-176.2	62.9	0	0	0	0	111.2	S444	S444-S447 PolarHBondContact O-OG 3.37Å; S444-S447 PolarHBondContact OG-OG 3.46Å
448	V	39.2	Very low	38.3	Very low	60 Å²	60	120 Å²	120	36%	0.364	62%	0.623	S	S	.	*			trans	-142.1	98.7	-171.2	-173.9	0	0	0	0	107.7	Y453	V448-Y453 HydrophobicContact CG1-CD2 4.36Å; V448-Y453 HydrophobicContact CG1-CE2 3.36Å; V448-Y453 WeakPolarHBondContact CG1-OH 3.29Å
449	E	43.2	Very low	39.5	Very low	149 Å²	149	117.9 Å²	117.9	70%	0.696	60%	0.598	S	S	*	*			trans	-81.4	143.9	178.2	-59.5	-173.7	149.9	0	0	109.2	D451 Y453	E449-D451 PolarHBondContact O-N 3.31Å; E449-Y453 WeakPolarHBondContact O-CD2 3.26Å
450	E	46.5	Very low	40.6	Very low	45 Å²	45	108.7 Å²	108.7	21%	0.21	57%	0.568	C	S	.	*	G	3₁₀ helix	trans	-67.2	-23.9	-177.2	-73.9	-153.2	103.1	0	0	112.5	D452 Y453 D454 K488 S648 Y650	E450-D452 VanDerWaalsContact C-N 3.28Å; E450-D452 PolarHBondContact O-N 3.05Å; E450-Y453 PolarHBondContact O-N 2.98Å; E450-Y453 VanDerWaalsContact O-N 3.07Å; E450-D454 PolarHBondContact O-N 3.3Å; E450-K488 WeakPolarHBondContact OE1-CD 3.15Å; E450-K488 WeakPolarHBondContact OE1-CE 3.21Å; E450-K488 WeakPolarHBondContact OE1-CG 3.43Å; E450-K488 IonicContact OE1-NZ 2.94Å; E450-K488 PolarHBondContact OE1-NZ 3.48Å; E450-S648 WeakPolarHBondContact OE2-CB 3.24Å; E450-Y650 HydrophobicContact CG-CE2 4.48Å
451	D	48	Very low	41.7	Very low	136 Å²	136	106.4 Å²	106.4	73%	0.727	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-69.7	-22.2	-175.6	-63.4	-24	0	0	0	113	E449 Y453	E449-D451 PolarHBondContact O-N 3.31Å; D451-Y453 PolarHBondContact O-N 3.48Å
452	D	45.7	Very low	42.8	Very low	131 Å²	131	97.7 Å²	97.7	70%	0.701	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-66.7	-12.2	170.4	-89.4	-19.9	0	0	0	113.2	E450	E450-D452 VanDerWaalsContact C-N 3.28Å; E450-D452 PolarHBondContact O-N 3.05Å
453	Y	46.7	Very low	43.8	Very low	77 Å²	77	92.3 Å²	92.3	30%	0.302	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-8.7	-172.1	-63.8	-94.3	0	0	0	114.3	V448 E449 E450 D451 I484	V448-Y453 HydrophobicContact CG1-CD2 4.36Å; V448-Y453 HydrophobicContact CG1-CE2 3.36Å; V448-Y453 WeakPolarHBondContact CG1-OH 3.29Å; E449-Y453 WeakPolarHBondContact O-CD2 3.26Å; E450-Y453 PolarHBondContact O-N 2.98Å; E450-Y453 VanDerWaalsContact O-N 3.07Å; D451-Y453 PolarHBondContact O-N 3.48Å; Y453-I484 HydrophobicContact CD1-CB 4.14Å; Y453-I484 HydrophobicContact CD1-CD1 3.94Å; Y453-I484 HydrophobicContact CD1-CG1 3.75Å; Y453-I484 HydrophobicContact CD1-CG2 3.46Å; Y453-I484 VanDerWaalsContact CD1-CG2 3.46Å; Y453-I484 HydrophobicContact CE1-CD1 4.46Å; Y453-I484 HydrophobicContact CE1-CG1 4.01Å; Y453-I484 HydrophobicContact CE1-CG2 4.34Å; Y453-I484 HydrophobicContact CG-CG2 4.09Å
454	D	46.9	Very low	44.6	Very low	36 Å²	36	89.7 Å²	89.7	19%	0.193	49%	0.487	C	S	.	.	S	Bend	trans	-128.4	62.3	177.6	-90.4	-47.5	0	0	0	108.8	E450 L456 I459 K480 K488	E450-D454 PolarHBondContact O-N 3.3Å; D454-L456 PolarHBondContact O-N 2.92Å; D454-I459 HydrophobicContact CB-CD1 4Å; D454-K480 IonicContact OD1-NZ 3.15Å; D454-K480 PolarHBondContact OD1-NZ 2.83Å; D454-K488 IonicContact OD2-NZ 3.46Å; D454-K488 PolarHBondContact OD2-NZ 3.24Å
455	T	45.6	Very low	45.5	Very low	63 Å²	63	90.7 Å²	90.7	39%	0.387	49%	0.486	S	S	.	.			trans	-52.9	130.4	174.2	52.7	0	0	0	0	109.9	E457 D458 I459	T455-E457 PolarHBondContact O-N 3.29Å; T455-E457 VanDerWaalsContact O-N 3.09Å; T455-D458 PolarHBondContact O-N 3.48Å; T455-D458 WeakPolarHBondContact OG1-CB 3.44Å; T455-D458 PolarHBondContact OG1-OD1 2.87Å; T455-D458 PolarHBondContact OG1-OD2 2.76Å; T455-I459 PolarHBondContact O-N 2.97Å
456	L	48.1	Very low	45.9	Very low	125 Å²	125	83.6 Å²	83.6	65%	0.654	45%	0.449	S	S	*	.	H	α-helix	trans	-62.6	-22.9	-173.9	-74.1	166.5	0	0	0	113	D454 D460	D454-L456 PolarHBondContact O-N 2.92Å; L456-D460 PolarHBondContact O-N 2.94Å
457	E	46.8	Very low	46.6	Very low	164 Å²	164	87.6 Å²	87.6	77%	0.766	45%	0.448	S	S	*	.	H	α-helix	trans	-77.1	-38.5	180	-56.6	-170.3	157.3	0	0	112.6	T455 I459 D460 S461	T455-E457 PolarHBondContact O-N 3.29Å; T455-E457 VanDerWaalsContact O-N 3.09Å; E457-I459 VanDerWaalsContact C-N 3.31Å; E457-I459 PolarHBondContact O-N 3.45Å; E457-D460 PolarHBondContact O-N 2.92Å; E457-S461 VanDerWaalsContact O-CB 3.28Å; E457-S461 WeakPolarHBondContact O-CB 3.3Å; E457-S461 PolarHBondContact O-N 3.13Å; E457-S461 PolarHBondContact O-OG 3.12Å
458	D	46.6	Very low	47.4	Very low	101 Å²	101	89.3 Å²	89.3	54%	0.54	46%	0.455	S	S	.	.	H	α-helix	trans	-63.4	-42.3	173.8	-72.4	9.2	0	0	0	110.1	T455 D460 S461 D462	T455-D458 PolarHBondContact O-N 3.48Å; T455-D458 WeakPolarHBondContact OG1-CB 3.44Å; T455-D458 PolarHBondContact OG1-OD1 2.87Å; T455-D458 PolarHBondContact OG1-OD2 2.76Å; D458-D460 PolarHBondContact O-N 2.87Å; D458-S461 WeakPolarHBondContact CA-OG 3.4Å; D458-S461 PolarHBondContact O-N 3.48Å; D458-S461 PolarHBondContact O-OG 3.28Å; D458-S461 VanDerWaalsContact O-OG 3.07Å; D458-D462 WeakPolarHBondContact O-CB 3.38Å; D458-D462 PolarHBondContact O-N 3.41Å
459	I	50.9	Low	48.2	Very low	51 Å²	51	91 Å²	91	26%	0.262	46%	0.457	S	S	.	.	H	α-helix	trans	-63.4	-39.5	-179.6	-74	176.3	0	0	0	112.8	D454 T455 E457 K463	D454-I459 HydrophobicContact CB-CD1 4Å; T455-I459 PolarHBondContact O-N 2.97Å; E457-I459 VanDerWaalsContact C-N 3.31Å; E457-I459 PolarHBondContact O-N 3.45Å; I459-K463 VanDerWaalsContact O-CD 3.32Å; I459-K463 WeakPolarHBondContact O-CD 3.48Å; I459-K463 WeakPolarHBondContact O-CE 2.99Å; I459-K463 WeakPolarHBondContact O-CG 3.46Å
460	D	48	Very low	49	Very low	62 Å²	62	91.4 Å²	91.4	33%	0.332	46%	0.457	S	S	.	.	H	α-helix	trans	-89.3	-21.5	179.1	-81.6	-6	0	0	0	113	L456 E457 D458 K463 N464 R702	L456-D460 PolarHBondContact O-N 2.94Å; E457-D460 PolarHBondContact O-N 2.92Å; D458-D460 PolarHBondContact O-N 2.87Å; D460-K463 WeakPolarHBondContact OD1-CD 3.13Å; D460-K463 WeakPolarHBondContact OD1-CE 3.17Å; D460-K463 IonicContact OD1-NZ 2.71Å; D460-K463 PolarHBondContact OD1-NZ 2.98Å; D460-N464 PolarHBondContact O-N 2.96Å; D460-N464 PolarHBondContact O-ND2 3.4Å; D460-R702 IonicContact OD2-NH1 2.71Å
461	S	45.2	Very low	50	Low	59 Å²	59	96.6 Å²	96.6	41%	0.413	48%	0.475	S	S	.	.	H	α-helix	trans	-73	-46	170.9	59.2	0	0	0	0	112.4	E457 D458 K463 N464 I465	E457-S461 VanDerWaalsContact O-CB 3.28Å; E457-S461 WeakPolarHBondContact O-CB 3.3Å; E457-S461 PolarHBondContact O-N 3.13Å; E457-S461 PolarHBondContact O-OG 3.12Å; D458-S461 WeakPolarHBondContact CA-OG 3.4Å; D458-S461 PolarHBondContact O-N 3.48Å; D458-S461 PolarHBondContact O-OG 3.28Å; D458-S461 VanDerWaalsContact O-OG 3.07Å; S461-K463 VanDerWaalsContact C-N 3.35Å; S461-K463 PolarHBondContact O-N 3.13Å; S461-N464 PolarHBondContact O-N 2.6Å; S461-I465 PolarHBondContact O-N 3.44Å; S461-I465 VanDerWaalsContact O-N 3.12Å
462	D	51.2	Low	51.2	Low	45 Å²	45	90.9 Å²	90.9	24%	0.241	45%	0.445	C	S	.	.	H	α-helix	trans	-62	-40.1	176.4	-99.3	-16	0	0	0	112.3	D458 N464 I465 V466 R479	D458-D462 WeakPolarHBondContact O-CB 3.38Å; D458-D462 PolarHBondContact O-N 3.41Å; D462-N464 PolarHBondContact O-N 3.22Å; D462-I465 PolarHBondContact O-N 3.44Å; D462-I465 VanDerWaalsContact O-N 3.13Å; D462-V466 WeakPolarHBondContact O-CB 3.13Å; D462-V466 VanDerWaalsContact O-CG2 3.32Å; D462-V466 WeakPolarHBondContact O-CG2 3.46Å; D462-V466 PolarHBondContact O-N 3.07Å; D462-R479 VanDerWaalsContact OD1-CD 3.28Å; D462-R479 WeakPolarHBondContact OD1-CD 3.45Å; D462-R479 IonicContact OD1-CZ 3.51Å; D462-R479 VanDerWaalsContact OD1-CZ 3.31Å; D462-R479 IonicContact OD1-NE 2.74Å; D462-R479 IonicContact OD1-NH1 2.71Å; D462-R479 PolarHBondContact OD1-NH1 3.43Å; D462-R479 WeakPolarHBondContact OD2-CD 3.22Å
463	K	50.6	Low	52.9	Low	73 Å²	73	85.5 Å²	85.5	32%	0.317	42%	0.417	S	S	.	.	H	α-helix	trans	-56.5	-34.3	173	-77.1	171.6	-155	161.8	0	112.9	I459 D460 S461 R467	I459-K463 VanDerWaalsContact O-CD 3.32Å; I459-K463 WeakPolarHBondContact O-CD 3.48Å; I459-K463 WeakPolarHBondContact O-CE 2.99Å; I459-K463 WeakPolarHBondContact O-CG 3.46Å; D460-K463 WeakPolarHBondContact OD1-CD 3.13Å; D460-K463 WeakPolarHBondContact OD1-CE 3.17Å; D460-K463 IonicContact OD1-NZ 2.71Å; D460-K463 PolarHBondContact OD1-NZ 2.98Å; S461-K463 VanDerWaalsContact C-N 3.35Å; S461-K463 PolarHBondContact O-N 3.13Å; K463-R467 PolarHBondContact O-N 2.99Å
464	N	45.8	Very low	54.6	Low	90 Å²	90	81.8 Å²	81.8	48%	0.481	40%	0.403	S	S	.	.	H	α-helix	trans	-78.6	-30.6	178.8	-77.9	-53.9	0	0	0	112.5	D460 S461 D462 R467	D460-N464 PolarHBondContact O-N 2.96Å; D460-N464 PolarHBondContact O-ND2 3.4Å; S461-N464 PolarHBondContact O-N 2.6Å; D462-N464 PolarHBondContact O-N 3.22Å; N464-R467 WeakPolarHBondContact O-CB 3.37Å; N464-R467 PolarHBondContact O-N 3.41Å
465	I	48.8	Very low	56	Low	84 Å²	84	82.4 Å²	82.4	43%	0.431	41%	0.41	S	S	.	.	H	α-helix	trans	-71.4	-38.8	172	-62.1	166.8	0	0	0	110.9	S461 D462 R467 T468	S461-I465 PolarHBondContact O-N 3.44Å; S461-I465 VanDerWaalsContact O-N 3.12Å; D462-I465 PolarHBondContact O-N 3.44Å; D462-I465 VanDerWaalsContact O-N 3.13Å; I465-R467 PolarHBondContact O-N 3.19Å; I465-T468 PolarHBondContact O-OG1 3.47Å
466	V	51.3	Low	57.2	Low	11 Å²	11	80 Å²	80	7%	0.067	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-14.6	174.7	170.9	0	0	0	0	112.8	D462 T468 L472 L477	D462-V466 WeakPolarHBondContact O-CB 3.13Å; D462-V466 VanDerWaalsContact O-CG2 3.32Å; D462-V466 WeakPolarHBondContact O-CG2 3.46Å; D462-V466 PolarHBondContact O-N 3.07Å; V466-T468 PolarHBondContact O-N 3.44Å; V466-L472 HydrophobicContact CG1-CD1 4.08Å; V466-L472 HydrophobicContact CG1-CD2 3.95Å; V466-L472 HydrophobicContact CG2-CD1 4.25Å; V466-L477 HydrophobicContact CG2-CD2 3.98Å
467	R	48.8	Very low	58.4	Low	192 Å²	192	74.6 Å²	74.6	73%	0.725	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-23.3	-174.9	-167.9	177.8	175.5	134.8	2.3	114.8	K463 N464 I465	K463-R467 PolarHBondContact O-N 2.99Å; N464-R467 WeakPolarHBondContact O-CB 3.37Å; N464-R467 PolarHBondContact O-N 3.41Å; I465-R467 PolarHBondContact O-N 3.19Å
468	T	51.4	Low	59.7	Low	122 Å²	122	68 Å²	68	75%	0.748	34%	0.34	S	S	*	.	S	Bend	trans	-102.9	-14.7	-166.3	55.3	0	0	0	0	114.9	I465 V466	I465-T468 PolarHBondContact O-OG1 3.47Å; V466-T468 PolarHBondContact O-N 3.44Å
469	K	56.7	Low	60.9	Low	94 Å²	94	68.2 Å²	68.2	41%	0.409	33%	0.333	S	S	.	.			trans	-93.7	131.2	-177.2	-65.1	-175.1	174.2	-179	0	112.8	Y471 D476	K469-Y471 WeakPolarHBondContact CB-O 3.2Å; K469-D476 IonicContact NZ-OD1 3.37Å; K469-D476 PolarHBondContact NZ-OD1 3.3Å; K469-D476 IonicContact NZ-OD2 2.77Å; K469-D476 PolarHBondContact NZ-OD2 3.43Å
470	K	59.9	Low	61.7	Low	159 Å²	159	69 Å²	69	69%	0.691	34%	0.335	S	S	*	.	S	Bend	trans	-70.5	-33.8	172.2	-176.1	175.3	178.3	178.7	0	112.9
471	Y	66.2	Low	62.7	Low	153 Å²	153	69.9 Å²	69.9	60%	0.6	34%	0.34	S	S	*	.	S	Bend	trans	-118.8	136	174.9	-55.2	-74	0	0	0	108.8	K469	K469-Y471 WeakPolarHBondContact CB-O 3.2Å
472	L	74.8	Confident	63.8	Low	16 Å²	16	70.3 Å²	70.3	8%	0.084	33%	0.334	C	S	.	.			trans	-118.3	134.4	-176.3	-166.1	69.3	0	0	0	108.8	V466 D476 L477 V874	V466-L472 HydrophobicContact CG1-CD1 4.08Å; V466-L472 HydrophobicContact CG1-CD2 3.95Å; V466-L472 HydrophobicContact CG2-CD1 4.25Å; L472-D476 HydrophobicContact CD1-CB 3.52Å; L472-D476 HydrophobicContact CG-CB 4.16Å; L472-L477 HydrophobicContact CD2-CD1 3.76Å; L472-L477 HydrophobicContact CD2-CD2 4.12Å; L472-L477 HydrophobicContact CD2-CG 3.91Å; L472-L477 HydrophobicContact CG-CG 4.4Å; L472-V874 HydrophobicContact CB-CB 4.3Å; L472-V874 HydrophobicContact CD2-CG1 4.39Å; L472-V874 WeakPolarHBondContact O-CB 3.06Å; L472-V874 PolarHBondContact O-N 3.47Å
473	C	80.5	Confident	64.7	Low	18 Å²	18	77.9 Å²	77.9	12%	0.122	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-111.4	159.6	-178.9	-60.8	0	0	0	0	110.9	S475 D476 D870 I872	C473-S475 PolarHBondContact O-N 3.11Å; C473-S475 VanDerWaalsContact O-N 3.16Å; C473-D476 PolarHBondContact N-OD2 3.49Å; C473-D476 WeakPolarHBondContact O-CB 3.32Å; C473-D476 PolarHBondContact O-N 3.01Å; C473-D870 WeakPolarHBondContact CB-O 3.34Å; C473-D870 PolarHBondContact SG-O 2.99Å; C473-I872 CarbonylContact C-O 3.6Å; C473-I872 VanDerWaalsContact CA-O 3.22Å; C473-I872 WeakPolarHBondContact CA-O 3.17Å
474	V	82.3	Confident	65.7	Low	0 Å²	0	77.1 Å²	77.1	0%	0	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-61.2	-27.7	-177.1	173.5	0	0	0	0	111.6	D476 L477 A478 P587 P643 R869 I872 V874	V474-D476 PolarHBondContact O-N 3.33Å; V474-L477 CarbonylContact O-C 3.47Å; V474-L477 PolarHBondContact O-N 3.42Å; V474-L477 VanDerWaalsContact O-N 3.11Å; V474-A478 HydrophobicContact CG1-CB 4.35Å; V474-A478 WeakPolarHBondContact O-CB 3.3Å; V474-A478 PolarHBondContact O-N 3.27Å; V474-A478 VanDerWaalsContact O-N 3.14Å; V474-P587 HydrophobicContact CG1-CG 4.46Å; V474-P643 HydrophobicContact CG1-CG 4.31Å; V474-R869 HydrophobicContact CB-CB 4.38Å; V474-R869 HydrophobicContact CG1-CB 4.42Å; V474-R869 HydrophobicContact CG1-CG 4.15Å; V474-R869 PolarHBondContact N-O 3.19Å; V474-I872 HydrophobicContact CB-CB 4.22Å; V474-I872 HydrophobicContact CB-CG2 4.35Å; V474-I872 HydrophobicContact CG2-CB 3.95Å; V474-I872 HydrophobicContact CG2-CG2 3.57Å; V474-I872 PolarHBondContact N-O 2.99Å; V474-V874 HydrophobicContact CG2-CG2 3.93Å
475	S	76.1	Confident	66.8	Low	49 Å²	49	73.5 Å²	73.5	34%	0.343	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-61.1	-28	171.4	58	0	0	0	0	114	C473 L477 R869 D870	C473-S475 PolarHBondContact O-N 3.11Å; C473-S475 VanDerWaalsContact O-N 3.16Å; S475-L477 VanDerWaalsContact C-N 3.29Å; S475-R869 PolarHBondContact N-O 3.43Å; S475-D870 WeakPolarHBondContact OG-CA 3.48Å
476	D	71.1	Confident	67.9	Low	13 Å²	13	72.5 Å²	72.5	7%	0.07	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-75.3	-19.7	176.4	-69.4	-54.5	0	0	0	112.5	K469 L472 C473 V474 R479	K469-D476 IonicContact NZ-OD1 3.37Å; K469-D476 PolarHBondContact NZ-OD1 3.3Å; K469-D476 IonicContact NZ-OD2 2.77Å; K469-D476 PolarHBondContact NZ-OD2 3.43Å; L472-D476 HydrophobicContact CD1-CB 3.52Å; L472-D476 HydrophobicContact CG-CB 4.16Å; C473-D476 PolarHBondContact N-OD2 3.49Å; C473-D476 WeakPolarHBondContact O-CB 3.32Å; C473-D476 PolarHBondContact O-N 3.01Å; V474-D476 PolarHBondContact O-N 3.33Å; D476-R479 PolarHBondContact O-NE 3.23Å; D476-R479 VanDerWaalsContact O-NE 3.1Å; D476-R479 IonicContact OD1-NH2 2.69Å
477	L	73.9	Confident	69	Low	10 Å²	10	76.3 Å²	76.3	5%	0.052	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-121.7	19.6	-174.7	-62.6	-171.5	0	0	0	114.2	V466 L472 V474 S475 P643 D644 I645 V874	V466-L477 HydrophobicContact CG2-CD2 3.98Å; L472-L477 HydrophobicContact CD2-CD1 3.76Å; L472-L477 HydrophobicContact CD2-CD2 4.12Å; L472-L477 HydrophobicContact CD2-CG 3.91Å; L472-L477 HydrophobicContact CG-CG 4.4Å; V474-L477 CarbonylContact O-C 3.47Å; V474-L477 PolarHBondContact O-N 3.42Å; V474-L477 VanDerWaalsContact O-N 3.11Å; S475-L477 VanDerWaalsContact C-N 3.29Å; L477-P643 WeakPolarHBondContact O-CD 3.48Å; L477-P643 VanDerWaalsContact O-CG 3.32Å; L477-P643 WeakPolarHBondContact O-CG 3.2Å; L477-D644 WeakPolarHBondContact O-CB 3.2Å; L477-D644 PolarHBondContact O-N 3.04Å; L477-I645 HydrophobicContact CD1-CD1 3.92Å; L477-I645 HydrophobicContact CD1-CG1 4.46Å; L477-I645 HydrophobicContact CD2-CD1 3.81Å; L477-I645 HydrophobicContact CD2-CG1 4.22Å; L477-V874 HydrophobicContact CD1-CG1 3.94Å; L477-V874 HydrophobicContact CD1-CG2 4.21Å
478	A	74	Confident	70.3	Confident	27 Å²	27	68.9 Å²	68.9	22%	0.223	33%	0.328	C	S	.	.			trans	-133.5	54.6	-178.9	0	0	0	0	0	110.7	V474 P587 P643 D644	V474-A478 HydrophobicContact CG1-CB 4.35Å; V474-A478 WeakPolarHBondContact O-CB 3.3Å; V474-A478 PolarHBondContact O-N 3.27Å; V474-A478 VanDerWaalsContact O-N 3.14Å; A478-P587 HydrophobicContact CB-CG 3.76Å; A478-P643 HydrophobicContact CB-CG 4.14Å; A478-D644 WeakPolarHBondContact CA-OD2 3.48Å
479	R	70.7	Confident	71.4	Confident	104 Å²	104	63.4 Å²	63.4	39%	0.392	29%	0.293	S	S	.	.			trans	-98.7	-26.9	-174.2	-62.5	178.9	-176.7	-158.5	2.9	112.6	D462 D476 D644	D462-R479 VanDerWaalsContact OD1-CD 3.28Å; D462-R479 WeakPolarHBondContact OD1-CD 3.45Å; D462-R479 IonicContact OD1-CZ 3.51Å; D462-R479 VanDerWaalsContact OD1-CZ 3.31Å; D462-R479 IonicContact OD1-NE 2.74Å; D462-R479 IonicContact OD1-NH1 2.71Å; D462-R479 PolarHBondContact OD1-NH1 3.43Å; D462-R479 WeakPolarHBondContact OD2-CD 3.22Å; D476-R479 PolarHBondContact O-NE 3.23Å; D476-R479 VanDerWaalsContact O-NE 3.1Å; D476-R479 IonicContact OD1-NH2 2.69Å; R479-D644 PolarHBondContact N-OD2 2.93Å
480	K	68.8	Low	72.5	Confident	69 Å²	69	63.7 Å²	63.7	30%	0.3	30%	0.296	S	S	.	.	S	Bend	trans	-68.4	144.9	-178	-68.4	-178.9	174.7	-178.4	0	112.5	D454 K482 D644	D454-K480 IonicContact OD1-NZ 3.15Å; D454-K480 PolarHBondContact OD1-NZ 2.83Å; K480-K482 PolarHBondContact O-N 3.23Å; K480-D644 HydrophobicContact CD-CB 4.08Å; K480-D644 HydrophobicContact CG-CB 4.38Å; K480-D644 PolarHBondContact N-OD2 3.42Å
481	D	68.5	Low	73.7	Confident	79 Å²	79	58 Å²	58	42%	0.422	27%	0.273	S	S	.	.			trans	-60.7	127.2	178.1	178.8	4.9	0	0	0	110.8	R483 I484 L485	D481-R483 PolarHBondContact O-N 3.23Å; D481-R483 VanDerWaalsContact O-N 3.12Å; D481-R483 PolarHBondContact OD1-N 3.07Å; D481-I484 HydrophobicContact CB-CB 4.39Å; D481-I484 HydrophobicContact CB-CD1 3.96Å; D481-I484 HydrophobicContact CB-CG1 4.09Å; D481-I484 PolarHBondContact O-N 2.86Å; D481-I484 VanDerWaalsContact O-N 3.15Å; D481-L485 VanDerWaalsContact O-CB 3.3Å; D481-L485 WeakPolarHBondContact O-CB 3.32Å; D481-L485 PolarHBondContact O-N 3.49Å
482	K	68.7	Low	74.7	Confident	69 Å²	69	50.8 Å²	50.8	30%	0.3	25%	0.245	S	C	.	.	H	α-helix	trans	-51.5	-31.8	174.5	-59.3	-179.1	-176.8	177.5	0	112.7	K480 S486 L574 A581 L582	K480-K482 PolarHBondContact O-N 3.23Å; K482-S486 WeakPolarHBondContact O-CB 3.43Å; K482-S486 PolarHBondContact O-N 3.44Å; K482-L574 HydrophobicContact CD-CD2 4.39Å; K482-A581 PolarHBondContact NZ-O 2.57Å; K482-L582 PolarHBondContact NZ-O 2.9Å
483	R	70.1	Confident	75.4	Confident	203 Å²	203	53 Å²	53	77%	0.766	25%	0.254	S	S	*	.	H	α-helix	trans	-69.6	-50.8	177.4	-64.2	177.3	170.6	-178.5	-0.7	112	D481 L485 S486 K487	D481-R483 PolarHBondContact O-N 3.23Å; D481-R483 VanDerWaalsContact O-N 3.12Å; D481-R483 PolarHBondContact OD1-N 3.07Å; R483-L485 VanDerWaalsContact C-N 3.34Å; R483-S486 PolarHBondContact O-N 3.03Å; R483-K487 PolarHBondContact O-N 3.43Å
484	I	71.2	Confident	75.8	Confident	58 Å²	58	59.4 Å²	59.4	30%	0.297	28%	0.275	S	S	.	.	H	α-helix	trans	-56.3	-52.3	174.8	-64.4	174.7	0	0	0	109.4	Y453 D481 S486 K487 K488	Y453-I484 HydrophobicContact CD1-CB 4.14Å; Y453-I484 HydrophobicContact CD1-CD1 3.94Å; Y453-I484 HydrophobicContact CD1-CG1 3.75Å; Y453-I484 HydrophobicContact CD1-CG2 3.46Å; Y453-I484 VanDerWaalsContact CD1-CG2 3.46Å; Y453-I484 HydrophobicContact CE1-CD1 4.46Å; Y453-I484 HydrophobicContact CE1-CG1 4.01Å; Y453-I484 HydrophobicContact CE1-CG2 4.34Å; Y453-I484 HydrophobicContact CG-CG2 4.09Å; D481-I484 HydrophobicContact CB-CB 4.39Å; D481-I484 HydrophobicContact CB-CD1 3.96Å; D481-I484 HydrophobicContact CB-CG1 4.09Å; D481-I484 PolarHBondContact O-N 2.86Å; D481-I484 VanDerWaalsContact O-N 3.15Å; I484-S486 VanDerWaalsContact C-N 3.3Å; I484-S486 PolarHBondContact O-N 3.29Å; I484-K487 WeakPolarHBondContact O-CB 3.5Å; I484-K487 PolarHBondContact O-N 3.24Å; I484-K487 VanDerWaalsContact O-N 3.11Å; I484-K488 PolarHBondContact O-N 3.39Å
485	L	69	Low	76.2	Confident	13 Å²	13	61 Å²	61	7%	0.068	28%	0.284	C	S	.	.	H	α-helix	trans	-65.4	-32.9	-176.5	-167.6	52.6	0	0	0	112.1	D481 R483 Y489 H589	D481-L485 VanDerWaalsContact O-CB 3.3Å; D481-L485 WeakPolarHBondContact O-CB 3.32Å; D481-L485 PolarHBondContact O-N 3.49Å; R483-L485 VanDerWaalsContact C-N 3.34Å; L485-Y489 HydrophobicContact CD1-CD2 4.07Å; L485-Y489 HydrophobicContact CD1-CE2 3.34Å; L485-Y489 HydrophobicContact CD2-CE2 4.31Å; L485-Y489 HydrophobicContact CG-CD2 4.05Å; L485-Y489 HydrophobicContact CG-CE2 3.52Å; L485-Y489 WeakPolarHBondContact O-CD2 3.27Å; L485-Y489 PolarHBondContact O-N 3.5Å; L485-H589 WeakPolarHBondContact CD2-CE1 3.47Å
486	S	71.7	Confident	76.9	Confident	63 Å²	63	58.7 Å²	58.7	44%	0.441	27%	0.268	S	S	.	.	H	α-helix	trans	-70.4	-37.9	171.8	-170.1	0	0	0	0	113.3	K482 R483 I484 Q490	K482-S486 WeakPolarHBondContact O-CB 3.43Å; K482-S486 PolarHBondContact O-N 3.44Å; R483-S486 PolarHBondContact O-N 3.03Å; I484-S486 VanDerWaalsContact C-N 3.3Å; I484-S486 PolarHBondContact O-N 3.29Å; S486-Q490 PolarHBondContact O-N 3.25Å
487	K	75.3	Confident	77.8	Confident	92 Å²	92	59.3 Å²	59.3	40%	0.4	28%	0.275	S	S	.	.	H	α-helix	trans	-58.7	-51.6	170.6	-74.1	-175	176.9	-176	0	109.4	E443 R483 I484 Y489 Q490	E443-K487 IonicContact OE2-NZ 2.7Å; R483-K487 PolarHBondContact O-N 3.43Å; I484-K487 WeakPolarHBondContact O-CB 3.5Å; I484-K487 PolarHBondContact O-N 3.24Å; I484-K487 VanDerWaalsContact O-N 3.11Å; K487-Y489 VanDerWaalsContact C-N 3.31Å; K487-Y489 PolarHBondContact O-N 3.42Å; K487-Q490 PolarHBondContact O-N 3.44Å
488	K	75.4	Confident	78.7	Confident	35 Å²	35	62.2 Å²	62.2	15%	0.152	29%	0.293	C	S	.	.	H	α-helix	trans	-55.8	-40.4	-179.4	-169	156	-172.9	134.9	0	113.1	E450 D454 I484 I491	E450-K488 WeakPolarHBondContact OE1-CD 3.15Å; E450-K488 WeakPolarHBondContact OE1-CE 3.21Å; E450-K488 WeakPolarHBondContact OE1-CG 3.43Å; E450-K488 IonicContact OE1-NZ 2.94Å; E450-K488 PolarHBondContact OE1-NZ 3.48Å; D454-K488 IonicContact OD2-NZ 3.46Å; D454-K488 PolarHBondContact OD2-NZ 3.24Å; I484-K488 PolarHBondContact O-N 3.39Å; K488-I491 WeakPolarHBondContact O-CB 3.28Å; K488-I491 PolarHBondContact O-N 2.91Å
489	Y	74.3	Confident	79.5	Confident	7 Å²	7	64 Å²	64	3%	0.027	30%	0.298	C	S	.	.	H	α-helix	trans	-77.1	-18.1	177.3	-68.2	-49.5	0	0	0	115.3	L485 K487 I491 Y492 H589 G591 V592 P643 N646	L485-Y489 HydrophobicContact CD1-CD2 4.07Å; L485-Y489 HydrophobicContact CD1-CE2 3.34Å; L485-Y489 HydrophobicContact CD2-CE2 4.31Å; L485-Y489 HydrophobicContact CG-CD2 4.05Å; L485-Y489 HydrophobicContact CG-CE2 3.52Å; L485-Y489 WeakPolarHBondContact O-CD2 3.27Å; L485-Y489 PolarHBondContact O-N 3.5Å; K487-Y489 VanDerWaalsContact C-N 3.31Å; K487-Y489 PolarHBondContact O-N 3.42Å; Y489-I491 VanDerWaalsContact C-N 3.28Å; Y489-I491 PolarHBondContact O-N 3.26Å; Y489-Y492 HydrophobicContact CD1-CD2 4.03Å; Y489-Y492 HydrophobicContact CD1-CE2 4.11Å; Y489-Y492 HydrophobicContact CE1-CE2 4.38Å; Y489-Y492 PolarHBondContact O-N 3.36Å; Y489-H589 HydrophobicContact CD2-CB 3.55Å; Y489-H589 AromaticContact CD2-CG 3.51Å; Y489-H589 AromaticContact CD2-ND1 3.69Å; Y489-H589 HydrophobicContact CE2-CB 3.7Å; Y489-H589 AromaticContact CE2-CD2 3.46Å; Y489-H589 VanDerWaalsContact CE2-CD2 3.46Å; Y489-H589 WeakPolarHBondContact CE2-CD2 3.37Å; Y489-H589 AromaticContact CE2-CE1 3.97Å; Y489-H589 AromaticContact CE2-CG 3.3Å; Y489-H589 AromaticContact CE2-ND1 3.65Å; Y489-H589 AromaticContact CE2-NE2 3.88Å; Y489-H589 HydrophobicContact CG-CB 4.29Å; Y489-G591 VanDerWaalsContact O-CA 3.31Å; Y489-G591 WeakPolarHBondContact O-CA 3.23Å; Y489-V592 HydrophobicContact CD1-CG2 4.27Å; Y489-P643 PolarHBondContact OH-O 2.85Å; Y489-N646 PolarHBondContact OH-ND2 3.17Å
490	Q	79.8	Confident	80.5	Confident	101 Å²	101	59.2 Å²	59.2	47%	0.472	28%	0.281	S	S	.	.	H	α-helix	trans	-69.5	-26.7	170.8	-75.5	-176.4	-8.9	0	0	112.5	S486 K487 Y492 F493 W494	S486-Q490 PolarHBondContact O-N 3.25Å; K487-Q490 PolarHBondContact O-N 3.44Å; Q490-Y492 PolarHBondContact O-N 3.2Å; Q490-F493 PolarHBondContact O-N 3.09Å; Q490-F493 VanDerWaalsContact O-N 3.11Å; Q490-W494 PolarHBondContact O-N 3.48Å
491	I	86.1	Confident	81.6	Confident	38 Å²	38	59.9 Å²	59.9	20%	0.195	29%	0.291	C	S	.	.	H	α-helix	trans	-58.6	-36.9	175.5	-54.2	175.5	0	0	0	110.8	K488 Y489 F493 W494 N495 A649 Y650	K488-I491 WeakPolarHBondContact O-CB 3.28Å; K488-I491 PolarHBondContact O-N 2.91Å; Y489-I491 VanDerWaalsContact C-N 3.28Å; Y489-I491 PolarHBondContact O-N 3.26Å; I491-F493 VanDerWaalsContact C-N 3.31Å; I491-F493 PolarHBondContact O-N 3.36Å; I491-W494 PolarHBondContact O-N 3.07Å; I491-N495 VanDerWaalsContact O-CB 3.28Å; I491-N495 WeakPolarHBondContact O-CB 3.39Å; I491-N495 VanDerWaalsContact O-CG 3.27Å; I491-N495 PolarHBondContact O-N 3.04Å; I491-A649 HydrophobicContact CB-CB 4.15Å; I491-A649 HydrophobicContact CG2-CB 3.74Å; I491-Y650 HydrophobicContact CG2-CE1 4.3Å; I491-Y650 HydrophobicContact CG2-CE2 4.16Å
492	Y	87.3	Confident	82.8	Confident	3 Å²	3	63.6 Å²	63.6	1%	0.012	30%	0.303	C	S	.	.	H	α-helix	trans	-57.8	-41.2	176.2	-86.6	-91.7	0	0	0	112.8	Y489 Q490 I496 V592 L632 A647 A649 A652 Y653	Y489-Y492 HydrophobicContact CD1-CD2 4.03Å; Y489-Y492 HydrophobicContact CD1-CE2 4.11Å; Y489-Y492 HydrophobicContact CE1-CE2 4.38Å; Y489-Y492 PolarHBondContact O-N 3.36Å; Q490-Y492 PolarHBondContact O-N 3.2Å; Y492-I496 WeakPolarHBondContact O-CG2 3.43Å; Y492-I496 PolarHBondContact O-N 2.97Å; Y492-V592 HydrophobicContact CD1-CG2 4.12Å; Y492-V592 HydrophobicContact CD2-CG2 4.16Å; Y492-V592 HydrophobicContact CE1-CG2 4.46Å; Y492-V592 HydrophobicContact CG-CG2 3.95Å; Y492-L632 HydrophobicContact CD1-CD2 4.24Å; Y492-A647 PolarHBondContact OH-O 2.79Å; Y492-A649 HydrophobicContact CD1-CB 4.34Å; Y492-A649 HydrophobicContact CD2-CB 3.69Å; Y492-A649 HydrophobicContact CE1-CB 4.38Å; Y492-A649 HydrophobicContact CE2-CB 3.75Å; Y492-A649 HydrophobicContact CG-CB 4.01Å; Y492-A652 HydrophobicContact CE1-CB 4.04Å; Y492-Y653 HydrophobicContact CD1-CE2 4.02Å; Y492-Y653 AromaticContact CD1-CZ 3.95Å; Y492-Y653 PolarHBondContact O-OH 3.41Å
493	F	88	Confident	83.8	Confident	63 Å²	63	63 Å²	63	28%	0.276	30%	0.3	S	S	.	.	H	α-helix	trans	-71.7	-47	179.5	169	-99.2	0	0	0	112.1	Q490 I491 N495 I496 A497 T598	Q490-F493 PolarHBondContact O-N 3.09Å; Q490-F493 VanDerWaalsContact O-N 3.11Å; I491-F493 VanDerWaalsContact C-N 3.31Å; I491-F493 PolarHBondContact O-N 3.36Å; F493-N495 PolarHBondContact O-N 3.5Å; F493-I496 VanDerWaalsContact O-CG2 3.3Å; F493-I496 WeakPolarHBondContact O-CG2 3.32Å; F493-I496 PolarHBondContact O-N 3.45Å; F493-A497 WeakPolarHBondContact O-CB 3.08Å; F493-A497 PolarHBondContact O-N 2.98Å; F493-T598 WeakPolarHBondContact CE2-OG1 3.42Å
494	W	89.1	Confident	84.8	Confident	151 Å²	151	53.8 Å²	53.8	57%	0.572	27%	0.267	S	S	*	.	H	α-helix	trans	-66	-37	179.3	-73.3	112.4	0	0	0	112.6	Q490 I491 A497 T498	Q490-W494 PolarHBondContact O-N 3.48Å; I491-W494 PolarHBondContact O-N 3.07Å; W494-A497 PolarHBondContact O-N 2.92Å; W494-T498 WeakPolarHBondContact O-CB 3.39Å; W494-T498 PolarHBondContact O-N 3.38Å; W494-T498 PolarHBondContact O-OG1 3.48Å
495	N	90.7	Very high	85.7	Confident	34 Å²	34	56.2 Å²	56.2	18%	0.182	28%	0.28	C	S	.	.	H	α-helix	trans	-66.7	-44.8	176.7	-73.9	4.2	0	0	0	111.7	I491 F493 T498 I499 Y650 Y653	I491-N495 VanDerWaalsContact O-CB 3.28Å; I491-N495 WeakPolarHBondContact O-CB 3.39Å; I491-N495 VanDerWaalsContact O-CG 3.27Å; I491-N495 PolarHBondContact O-N 3.04Å; F493-N495 PolarHBondContact O-N 3.5Å; N495-T498 PolarHBondContact O-N 2.98Å; N495-I499 VanDerWaalsContact O-CG1 3.27Å; N495-I499 WeakPolarHBondContact O-CG1 3.45Å; N495-I499 PolarHBondContact O-N 3.23Å; N495-Y650 WeakPolarHBondContact ND2-CE1 2.96Å; N495-Y653 HydrophobicContact CB-CD2 3.76Å; N495-Y653 HydrophobicContact CB-CE2 3.51Å
496	I	91.6	Very high	86.8	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-67.6	-36.7	177.1	-166.8	62.1	0	0	0	112	Y492 F493 T498 I499 A500 A595 T598 A599 F625 M628 Y653	Y492-I496 WeakPolarHBondContact O-CG2 3.43Å; Y492-I496 PolarHBondContact O-N 2.97Å; F493-I496 VanDerWaalsContact O-CG2 3.3Å; F493-I496 WeakPolarHBondContact O-CG2 3.32Å; F493-I496 PolarHBondContact O-N 3.45Å; I496-T498 VanDerWaalsContact C-N 3.3Å; I496-T498 PolarHBondContact O-N 3.41Å; I496-I499 PolarHBondContact O-N 3.36Å; I496-A500 WeakPolarHBondContact O-CB 3.46Å; I496-A500 PolarHBondContact O-N 3.4Å; I496-A595 HydrophobicContact CG2-CB 3.8Å; I496-T598 HydrophobicContact CG2-CG2 4.19Å; I496-A599 HydrophobicContact CG1-CB 4.4Å; I496-F625 HydrophobicContact CD1-CE1 3.76Å; I496-F625 HydrophobicContact CD1-CZ 4.13Å; I496-F625 HydrophobicContact CG1-CE1 4.23Å; I496-M628 HydrophobicContact CD1-CE 3.43Å; I496-M628 VanDerWaalsContact CD1-CE 3.43Å; I496-Y653 HydrophobicContact CD1-CE1 4.43Å
497	A	90.7	Very high	87.8	Confident	27 Å²	27	56.3 Å²	56.3	22%	0.223	28%	0.279	C	S	.	.	H	α-helix	trans	-64.3	-35.2	174.1	0	0	0	0	0	112.2	F493 W494 V501	F493-A497 WeakPolarHBondContact O-CB 3.08Å; F493-A497 PolarHBondContact O-N 2.98Å; W494-A497 PolarHBondContact O-N 2.92Å; A497-V501 WeakPolarHBondContact O-CG2 3.45Å; A497-V501 PolarHBondContact O-N 3.25Å
498	T	91.8	Very high	88.5	Confident	70 Å²	70	54.9 Å²	54.9	43%	0.429	28%	0.276	S	S	.	.	H	α-helix	trans	-69.2	-49.7	174.6	-56.2	0	0	0	0	111	W494 N495 I496 A500 V501 F502	W494-T498 WeakPolarHBondContact O-CB 3.39Å; W494-T498 PolarHBondContact O-N 3.38Å; W494-T498 PolarHBondContact O-OG1 3.48Å; N495-T498 PolarHBondContact O-N 2.98Å; I496-T498 VanDerWaalsContact C-N 3.3Å; I496-T498 PolarHBondContact O-N 3.41Å; T498-A500 VanDerWaalsContact C-N 3.3Å; T498-A500 PolarHBondContact O-N 2.89Å; T498-V501 PolarHBondContact O-N 2.97Å; T498-F502 HydrophobicContact CG2-CD2 3.82Å; T498-F502 HydrophobicContact CG2-CE2 3.91Å; T498-F502 WeakPolarHBondContact O-CD2 3.47Å; T498-F502 PolarHBondContact O-N 3.43Å; T498-F502 VanDerWaalsContact O-N 3.13Å
499	I	91.6	Very high	89.3	Confident	64 Å²	64	59.9 Å²	59.9	33%	0.328	30%	0.299	S	S	.	.	H	α-helix	trans	-56.8	-45	176.2	-68.4	163.3	0	0	0	110.5	N495 I496 V501 F502 Y503 F625 M628 Y653	N495-I499 VanDerWaalsContact O-CG1 3.27Å; N495-I499 WeakPolarHBondContact O-CG1 3.45Å; N495-I499 PolarHBondContact O-N 3.23Å; I496-I499 PolarHBondContact O-N 3.36Å; I499-V501 PolarHBondContact O-N 3.5Å; I499-F502 PolarHBondContact O-N 2.87Å; I499-Y503 WeakPolarHBondContact O-CB 3.3Å; I499-Y503 PolarHBondContact O-N 3.43Å; I499-F625 HydrophobicContact CG2-CZ 4.47Å; I499-M628 HydrophobicContact CD1-CE 4.24Å; I499-Y653 HydrophobicContact CD1-CD1 4.29Å; I499-Y653 HydrophobicContact CD1-CG 4.19Å
500	A	91.8	Very high	90	Very high	4 Å²	4	62.6 Å²	62.6	3%	0.033	31%	0.314	C	S	.	.	H	α-helix	trans	-52.8	-51.7	176.6	0	0	0	0	0	112.9	I496 T498 Y503 A504 M602 F625	I496-A500 WeakPolarHBondContact O-CB 3.46Å; I496-A500 PolarHBondContact O-N 3.4Å; T498-A500 VanDerWaalsContact C-N 3.3Å; T498-A500 PolarHBondContact O-N 2.89Å; A500-Y503 PolarHBondContact O-N 3.02Å; A500-A504 WeakPolarHBondContact O-CB 3.38Å; A500-A504 PolarHBondContact O-N 3.39Å; A500-M602 HydrophobicContact CB-CE 4.5Å; A500-M602 HydrophobicContact CB-CG 3.47Å; A500-M602 VanDerWaalsContact CB-CG 3.47Å; A500-M602 HydrophobicContact CB-SD 3.79Å; A500-F625 HydrophobicContact CB-CZ 4.3Å
501	V	91.8	Very high	90.5	Very high	84 Å²	84	58.1 Å²	58.1	51%	0.509	29%	0.294	S	S	.	.	H	α-helix	trans	-65.9	-47	-178.6	172.5	0	0	0	0	111.5	A497 T498 I499 Y503 A504 L505	A497-V501 WeakPolarHBondContact O-CG2 3.45Å; A497-V501 PolarHBondContact O-N 3.25Å; T498-V501 PolarHBondContact O-N 2.97Å; I499-V501 PolarHBondContact O-N 3.5Å; V501-Y503 VanDerWaalsContact C-N 3.28Å; V501-Y503 PolarHBondContact O-N 3.1Å; V501-A504 PolarHBondContact O-N 3Å; V501-L505 HydrophobicContact CG1-CD1 3.79Å; V501-L505 HydrophobicContact CG1-CG 4.45Å; V501-L505 WeakPolarHBondContact O-CG 3.31Å; V501-L505 PolarHBondContact O-N 3.29Å
502	F	92.3	Very high	90.7	Very high	157 Å²	157	61.2 Å²	61.2	69%	0.689	31%	0.31	S	S	*	.	H	α-helix	trans	-68.1	-25.7	-179.8	-81.1	-74.3	0	0	0	113.6	T498 I499 P506	T498-F502 HydrophobicContact CG2-CD2 3.82Å; T498-F502 HydrophobicContact CG2-CE2 3.91Å; T498-F502 WeakPolarHBondContact O-CD2 3.47Å; T498-F502 PolarHBondContact O-N 3.43Å; T498-F502 VanDerWaalsContact O-N 3.13Å; I499-F502 PolarHBondContact O-N 2.87Å; F502-P506 WeakPolarHBondContact O-CD 2.99Å
503	Y	90.4	Very high	90.8	Very high	56 Å²	56	64.6 Å²	64.6	22%	0.22	33%	0.331	C	S	.	.	H	α-helix	trans	-84.8	-40.6	175.7	-164.4	-102.7	0	0	0	112.6	I499 A500 V501 P506 V507 L606 Q620 F621 S624 F625	I499-Y503 WeakPolarHBondContact O-CB 3.3Å; I499-Y503 PolarHBondContact O-N 3.43Å; A500-Y503 PolarHBondContact O-N 3.02Å; V501-Y503 VanDerWaalsContact C-N 3.28Å; V501-Y503 PolarHBondContact O-N 3.1Å; Y503-P506 WeakPolarHBondContact O-CD 3.24Å; Y503-V507 HydrophobicContact CD1-CG2 4.39Å; Y503-V507 HydrophobicContact CE1-CG2 4.25Å; Y503-V507 VanDerWaalsContact O-CG2 3.29Å; Y503-V507 WeakPolarHBondContact O-CG2 3.15Å; Y503-L606 HydrophobicContact CD1-CD1 3.74Å; Y503-L606 HydrophobicContact CD1-CD2 3.88Å; Y503-L606 HydrophobicContact CD1-CG 4.48Å; Y503-L606 HydrophobicContact CE1-CD1 4.01Å; Y503-L606 HydrophobicContact CE1-CD2 4.15Å; Y503-Q620 PolarHBondContact OH-O 3.38Å; Y503-F621 HydrophobicContact CE1-CD1 4.38Å; Y503-S624 WeakPolarHBondContact CE1-OG 3.44Å; Y503-S624 PolarHBondContact OH-OG 2.78Å; Y503-F625 HydrophobicContact CD1-CE2 4.16Å
504	A	90.8	Very high	91	Very high	9 Å²	9	64.4 Å²	64.4	7%	0.074	33%	0.328	C	S	.	.	H	α-helix	trans	-69.7	-37.1	-177.1	0	0	0	0	0	113.8	A500 V501 V507 I508 M602 L606	A500-A504 WeakPolarHBondContact O-CB 3.38Å; A500-A504 PolarHBondContact O-N 3.39Å; V501-A504 PolarHBondContact O-N 3Å; A504-V507 PolarHBondContact O-N 3Å; A504-I508 HydrophobicContact CB-CD1 4.49Å; A504-I508 WeakPolarHBondContact O-CG1 3.48Å; A504-I508 PolarHBondContact O-N 3.38Å; A504-M602 HydrophobicContact CB-CE 3.73Å; A504-L606 HydrophobicContact CB-CD2 4.44Å
505	L	91.1	Very high	91	Very high	110 Å²	110	57.7 Å²	57.7	58%	0.576	30%	0.303	S	S	*	.	H	α-helix	trans	-61	-49.2	-176.3	-73.2	169.5	0	0	0	112.9	V501 V507 Q509	V501-L505 HydrophobicContact CG1-CD1 3.79Å; V501-L505 HydrophobicContact CG1-CG 4.45Å; V501-L505 WeakPolarHBondContact O-CG 3.31Å; V501-L505 PolarHBondContact O-N 3.29Å; L505-V507 PolarHBondContact O-N 3.26Å; L505-Q509 PolarHBondContact O-N 2.81Å
506	P	92.1	Very high	91	Very high	73 Å²	73	59.6 Å²	59.6	47%	0.474	32%	0.317	S	S	.	.	H	α-helix	trans	-61.2	-38.3	172	-24.7	34.5	0	0	0	113.9	F502 Y503 Q509 L510	F502-P506 WeakPolarHBondContact O-CD 2.99Å; Y503-P506 WeakPolarHBondContact O-CD 3.24Å; P506-Q509 PolarHBondContact O-N 3.4Å; P506-L510 WeakPolarHBondContact O-CB 3.02Å; P506-L510 PolarHBondContact O-N 3.32Å
507	V	91.6	Very high	91.1	Very high	4 Å²	4	62.6 Å²	62.6	2%	0.024	34%	0.335	C	S	.	.	H	α-helix	trans	-63.1	-49.2	-179.3	169.3	0	0	0	0	111.1	Y503 A504 L505 Q509 L510 V511 L606 C609 F621	Y503-V507 HydrophobicContact CD1-CG2 4.39Å; Y503-V507 HydrophobicContact CE1-CG2 4.25Å; Y503-V507 VanDerWaalsContact O-CG2 3.29Å; Y503-V507 WeakPolarHBondContact O-CG2 3.15Å; A504-V507 PolarHBondContact O-N 3Å; L505-V507 PolarHBondContact O-N 3.26Å; V507-Q509 VanDerWaalsContact C-N 3.34Å; V507-Q509 PolarHBondContact O-N 3.1Å; V507-L510 PolarHBondContact O-N 3.44Å; V507-V511 HydrophobicContact CG1-CG2 4.43Å; V507-V511 WeakPolarHBondContact O-CB 3.46Å; V507-V511 VanDerWaalsContact O-CG2 3.3Å; V507-V511 WeakPolarHBondContact O-CG2 3.46Å; V507-V511 PolarHBondContact O-N 3.4Å; V507-L606 HydrophobicContact CB-CD2 4.09Å; V507-L606 HydrophobicContact CG1-CD2 3.94Å; V507-L606 HydrophobicContact CG2-CD2 4.09Å; V507-C609 HydrophobicContact CG1-CB 3.63Å; V507-F621 HydrophobicContact CB-CD2 4.34Å; V507-F621 HydrophobicContact CB-CG 4.39Å; V507-F621 HydrophobicContact CG1-CB 4.18Å; V507-F621 HydrophobicContact CG1-CD2 3.61Å; V507-F621 HydrophobicContact CG1-CE2 4.13Å; V507-F621 HydrophobicContact CG1-CG 3.86Å; V507-F621 HydrophobicContact CG2-CB 4.25Å; V507-F621 HydrophobicContact CG2-CD1 3.45Å; V507-F621 VanDerWaalsContact CG2-CD1 3.45Å; V507-F621 HydrophobicContact CG2-CD2 3.95Å; V507-F621 HydrophobicContact CG2-CE1 3.72Å; V507-F621 HydrophobicContact CG2-CE2 4.16Å; V507-F621 HydrophobicContact CG2-CG 3.61Å; V507-F621 HydrophobicContact CG2-CZ 4.07Å
508	I	90.4	Very high	91.1	Very high	63 Å²	63	61.3 Å²	61.3	32%	0.323	32%	0.324	S	S	.	.	H	α-helix	trans	-61.2	-43.5	178	-67.1	164.8	0	0	0	110.6	A504 L510 I512	A504-I508 HydrophobicContact CB-CD1 4.49Å; A504-I508 WeakPolarHBondContact O-CG1 3.48Å; A504-I508 PolarHBondContact O-N 3.38Å; I508-L510 PolarHBondContact O-N 3.12Å; I508-I512 HydrophobicContact CG2-CD1 3.82Å; I508-I512 WeakPolarHBondContact O-CD1 3.4Å; I508-I512 VanDerWaalsContact O-CG1 3.27Å; I508-I512 WeakPolarHBondContact O-CG1 3.5Å; I508-I512 PolarHBondContact O-N 2.81Å; I508-I512 VanDerWaalsContact O-N 3.07Å
509	Q	91.9	Very high	90.9	Very high	139 Å²	139	62.1 Å²	62.1	65%	0.65	33%	0.326	S	S	*	.	H	α-helix	trans	-60.6	-44.8	176.1	-179.6	-178.5	-14.8	0	0	112.2	L505 P506 V507 T513	L505-Q509 PolarHBondContact O-N 2.81Å; P506-Q509 PolarHBondContact O-N 3.4Å; V507-Q509 VanDerWaalsContact C-N 3.34Å; V507-Q509 PolarHBondContact O-N 3.1Å; Q509-T513 WeakPolarHBondContact O-CB 3.38Å; Q509-T513 PolarHBondContact O-N 3.32Å; Q509-T513 PolarHBondContact O-OG1 2.57Å
510	L	89.9	Confident	90.9	Very high	64 Å²	64	64.7 Å²	64.7	34%	0.335	34%	0.344	S	S	.	.	H	α-helix	trans	-68.2	-41.1	-178.1	-172.7	68	0	0	0	112	P506 V507 I508 T513 Y514 F621	P506-L510 WeakPolarHBondContact O-CB 3.02Å; P506-L510 PolarHBondContact O-N 3.32Å; V507-L510 PolarHBondContact O-N 3.44Å; I508-L510 PolarHBondContact O-N 3.12Å; L510-T513 WeakPolarHBondContact O-CB 3.37Å; L510-T513 PolarHBondContact O-N 3.09Å; L510-Y514 HydrophobicContact CD1-CD2 4.18Å; L510-Y514 HydrophobicContact CD1-CE2 3.79Å; L510-Y514 HydrophobicContact CD2-CD2 4.46Å; L510-Y514 HydrophobicContact CD2-CE2 3.92Å; L510-Y514 HydrophobicContact CG-CD2 3.82Å; L510-Y514 HydrophobicContact CG-CE2 3.64Å; L510-Y514 WeakPolarHBondContact O-CD2 3.44Å; L510-Y514 PolarHBondContact O-N 3.3Å; L510-F621 HydrophobicContact CD2-CE2 4.02Å; L510-F621 HydrophobicContact CD2-CZ 3.68Å
511	V	89.8	Confident	90.9	Very high	8 Å²	8	67.6 Å²	67.6	5%	0.048	36%	0.362	C	S	.	.	H	α-helix	trans	-64.3	-45	177.3	168.1	0	0	0	0	111.4	V507 T513 Y514 Q515 C609 V612	V507-V511 HydrophobicContact CG1-CG2 4.43Å; V507-V511 WeakPolarHBondContact O-CB 3.46Å; V507-V511 VanDerWaalsContact O-CG2 3.3Å; V507-V511 WeakPolarHBondContact O-CG2 3.46Å; V507-V511 PolarHBondContact O-N 3.4Å; V511-T513 PolarHBondContact O-N 2.22Å; V511-Y514 PolarHBondContact O-N 3.22Å; V511-Q515 WeakPolarHBondContact O-CB 3.24Å; V511-Q515 PolarHBondContact O-N 3.45Å; V511-C609 HydrophobicContact CG2-CB 4.19Å; V511-C609 VanDerWaalsContact CG2-O 3.24Å; V511-C609 WeakPolarHBondContact CG2-O 3.13Å; V511-V612 HydrophobicContact CG1-CB 3.68Å; V511-V612 HydrophobicContact CG1-CG1 3.42Å; V511-V612 VanDerWaalsContact CG1-CG1 3.42Å
512	I	89.7	Confident	90.9	Very high	103 Å²	103	63.9 Å²	63.9	53%	0.528	34%	0.34	S	S	.	.	H	α-helix	trans	-59.9	-38.2	173.1	-68.1	167.6	0	0	0	110.7	I508 T516	I508-I512 HydrophobicContact CG2-CD1 3.82Å; I508-I512 WeakPolarHBondContact O-CD1 3.4Å; I508-I512 VanDerWaalsContact O-CG1 3.27Å; I508-I512 WeakPolarHBondContact O-CG1 3.5Å; I508-I512 PolarHBondContact O-N 2.81Å; I508-I512 VanDerWaalsContact O-N 3.07Å; I512-T516 WeakPolarHBondContact O-CB 3.26Å; I512-T516 PolarHBondContact O-N 3.36Å; I512-T516 PolarHBondContact O-OG1 3.2Å
513	T	91	Very high	91.1	Very high	73 Å²	73	58 Å²	58	45%	0.448	32%	0.316	S	S	.	.	H	α-helix	trans	-66.8	-49.1	178.2	-56.8	0	0	0	0	111.6	Q509 L510 V511 Q515 T516 V517	Q509-T513 WeakPolarHBondContact O-CB 3.38Å; Q509-T513 PolarHBondContact O-N 3.32Å; Q509-T513 PolarHBondContact O-OG1 2.57Å; L510-T513 WeakPolarHBondContact O-CB 3.37Å; L510-T513 PolarHBondContact O-N 3.09Å; V511-T513 PolarHBondContact O-N 2.22Å; T513-Q515 PolarHBondContact O-N 3.42Å; T513-T516 WeakPolarHBondContact O-CB 3.28Å; T513-T516 PolarHBondContact O-N 3.16Å; T513-V517 WeakPolarHBondContact O-CG2 3.43Å; T513-V517 PolarHBondContact O-N 3.05Å
514	Y	90.6	Very high	91.2	Very high	59 Å²	59	56.1 Å²	56.1	23%	0.231	31%	0.309	C	S	.	.	H	α-helix	trans	-59.7	-45.2	175.8	-85.2	-63.4	0	0	0	112.2	L510 V511 T516 V517 V518 I526 T617 N618	L510-Y514 HydrophobicContact CD1-CD2 4.18Å; L510-Y514 HydrophobicContact CD1-CE2 3.79Å; L510-Y514 HydrophobicContact CD2-CD2 4.46Å; L510-Y514 HydrophobicContact CD2-CE2 3.92Å; L510-Y514 HydrophobicContact CG-CD2 3.82Å; L510-Y514 HydrophobicContact CG-CE2 3.64Å; L510-Y514 WeakPolarHBondContact O-CD2 3.44Å; L510-Y514 PolarHBondContact O-N 3.3Å; V511-Y514 PolarHBondContact O-N 3.22Å; Y514-T516 VanDerWaalsContact C-N 3.28Å; Y514-T516 PolarHBondContact O-N 3.09Å; Y514-V517 PolarHBondContact O-N 3.12Å; Y514-V517 VanDerWaalsContact O-N 3.08Å; Y514-V518 PolarHBondContact O-N 3.27Å; Y514-I526 HydrophobicContact CD1-CG2 4.02Å; Y514-I526 HydrophobicContact CE1-CG2 4.48Å; Y514-T617 PolarHBondContact OH-OG1 3.07Å; Y514-N618 WeakPolarHBondContact CE2-OD1 3.5Å
515	Q	90.2	Very high	91.3	Very high	10 Å²	10	57.2 Å²	57.2	5%	0.047	31%	0.314	C	S	.	.	H	α-helix	trans	-64.5	-34.3	178.9	-173.5	61.3	6.4	0	0	112	V511 T513 N519 A539 S541	V511-Q515 WeakPolarHBondContact O-CB 3.24Å; V511-Q515 PolarHBondContact O-N 3.45Å; T513-Q515 PolarHBondContact O-N 3.42Å; Q515-N519 WeakPolarHBondContact O-CB 3.47Å; Q515-N519 PolarHBondContact O-N 2.93Å; Q515-N519 PolarHBondContact O-ND2 3.39Å; Q515-A539 VanDerWaalsContact CG-O 3.24Å; Q515-A539 WeakPolarHBondContact CG-O 3.34Å; Q515-A539 PolarHBondContact NE2-O 2.99Å; Q515-S541 PolarHBondContact NE2-OG 2.75Å
516	T	90.6	Very high	91.4	Very high	75 Å²	75	53.4 Å²	53.4	46%	0.46	29%	0.294	S	S	.	.	H	α-helix	trans	-65.3	-42.9	170.7	-56.2	0	0	0	0	111.4	I512 T513 Y514 N519 V520	I512-T516 WeakPolarHBondContact O-CB 3.26Å; I512-T516 PolarHBondContact O-N 3.36Å; I512-T516 PolarHBondContact O-OG1 3.2Å; T513-T516 WeakPolarHBondContact O-CB 3.28Å; T513-T516 PolarHBondContact O-N 3.16Å; Y514-T516 VanDerWaalsContact C-N 3.28Å; Y514-T516 PolarHBondContact O-N 3.09Å; T516-N519 PolarHBondContact O-N 2.9Å; T516-V520 HydrophobicContact CG2-CG2 4.17Å; T516-V520 WeakPolarHBondContact O-CB 3.26Å; T516-V520 VanDerWaalsContact O-CG2 3.26Å; T516-V520 WeakPolarHBondContact O-CG2 3.46Å; T516-V520 PolarHBondContact O-N 3.21Å
517	V	92.2	Very high	91.4	Very high	62 Å²	62	50 Å²	50	38%	0.376	27%	0.272	S	S	.	.	H	α-helix	trans	-63	-42.9	177.1	173.1	0	0	0	0	111.4	T513 Y514 V520 T521 I526	T513-V517 WeakPolarHBondContact O-CG2 3.43Å; T513-V517 PolarHBondContact O-N 3.05Å; Y514-V517 PolarHBondContact O-N 3.12Å; Y514-V517 VanDerWaalsContact O-N 3.08Å; V517-V520 PolarHBondContact O-N 3.41Å; V517-T521 HydrophobicContact CG1-CG2 4.07Å; V517-T521 VanDerWaalsContact O-CB 3.32Å; V517-T521 WeakPolarHBondContact O-CB 3.39Å; V517-T521 WeakPolarHBondContact O-CG2 3.32Å; V517-T521 PolarHBondContact O-N 2.84Å; V517-T521 PolarHBondContact O-OG1 2.96Å; V517-I526 HydrophobicContact CG1-CD1 3.87Å
518	V	91	Very high	91.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-59.8	-50.9	174.5	171.5	0	0	0	0	111	Y514 V520 G522 I526	Y514-V518 PolarHBondContact O-N 3.27Å; V518-V520 VanDerWaalsContact C-N 3.32Å; V518-V520 PolarHBondContact O-N 3.18Å; V518-G522 VanDerWaalsContact O-CA 3.3Å; V518-G522 WeakPolarHBondContact O-CA 3.47Å; V518-G522 PolarHBondContact O-N 3.43Å; V518-I526 HydrophobicContact CG2-CB 3.89Å; V518-I526 HydrophobicContact CG2-CD1 4.11Å; V518-I526 HydrophobicContact CG2-CG2 4.08Å
519	N	88.9	Confident	91.6	Very high	87 Å²	87	48.6 Å²	48.6	47%	0.465	26%	0.262	S	S	.	.	H	α-helix	trans	-66	-31.6	-177.6	-69.2	-16.2	0	0	0	113.1	Q515 T516 A539	Q515-N519 WeakPolarHBondContact O-CB 3.47Å; Q515-N519 PolarHBondContact O-N 2.93Å; Q515-N519 PolarHBondContact O-ND2 3.39Å; T516-N519 PolarHBondContact O-N 2.9Å; N519-A539 PolarHBondContact ND2-O 3.15Å
520	V	90.2	Very high	91.7	Very high	119 Å²	119	42.5 Å²	42.5	72%	0.721	23%	0.234	S	C	*	.	H	α-helix	trans	-86.3	-35.3	-179.6	172	0	0	0	0	112.9	T516 V517 V518	T516-V520 HydrophobicContact CG2-CG2 4.17Å; T516-V520 WeakPolarHBondContact O-CB 3.26Å; T516-V520 VanDerWaalsContact O-CG2 3.26Å; T516-V520 WeakPolarHBondContact O-CG2 3.46Å; T516-V520 PolarHBondContact O-N 3.21Å; V517-V520 PolarHBondContact O-N 3.41Å; V518-V520 VanDerWaalsContact C-N 3.32Å; V518-V520 PolarHBondContact O-N 3.18Å
521	T	92.4	Very high	91.8	Very high	65 Å²	65	40.1 Å²	40.1	40%	0.399	22%	0.221	S	C	.	.	H	α-helix	trans	-89.5	-14.5	178.9	63.2	0	0	0	0	113.6	V517 N523	V517-T521 HydrophobicContact CG1-CG2 4.07Å; V517-T521 VanDerWaalsContact O-CB 3.32Å; V517-T521 WeakPolarHBondContact O-CB 3.39Å; V517-T521 WeakPolarHBondContact O-CG2 3.32Å; V517-T521 PolarHBondContact O-N 2.84Å; V517-T521 PolarHBondContact O-OG1 2.96Å; T521-N523 PolarHBondContact O-N 3.42Å; T521-N523 VanDerWaalsContact O-N 3.13Å; T521-N523 WeakPolarHBondContact OG1-CB 3.38Å; T521-N523 PolarHBondContact OG1-N 3.38Å
522	G	92.2	Very high	91.9	Very high	6 Å²	6	41.1 Å²	41.1	6%	0.062	23%	0.226	C	C	.	.			trans	67.8	-0.4	-171.8	0	0	0	0	0	114.7	G242 M243 Y244 V518 Q524	G242-G522 WeakPolarHBondContact O-CA 3.45Å; M243-G522 CarbonylContact C-O 3.58Å; M243-G522 VanDerWaalsContact CA-O 3.32Å; M243-G522 WeakPolarHBondContact CA-O 3.36Å; Y244-G522 PolarHBondContact N-O 3.23Å; V518-G522 VanDerWaalsContact O-CA 3.3Å; V518-G522 WeakPolarHBondContact O-CA 3.47Å; V518-G522 PolarHBondContact O-N 3.43Å; G522-Q524 PolarHBondContact O-N 3.41Å
523	N	95.1	Very high	92.1	Very high	33 Å²	33	36.2 Å²	36.2	18%	0.176	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-78.5	103	-172	-174	2.6	0	0	0	111.7	Y244 T521 D525 I526	Y244-N523 HydrophobicContact CE1-CB 3.95Å; Y244-N523 HydrophobicContact CE2-CB 4.13Å; Y244-N523 WeakPolarHBondContact OH-CB 3.48Å; Y244-N523 PolarHBondContact OH-ND2 2.93Å; T521-N523 PolarHBondContact O-N 3.42Å; T521-N523 VanDerWaalsContact O-N 3.13Å; T521-N523 WeakPolarHBondContact OG1-CB 3.38Å; T521-N523 PolarHBondContact OG1-N 3.38Å; N523-D525 VanDerWaalsContact C-N 3.27Å; N523-D525 PolarHBondContact O-N 2.87Å; N523-D525 VanDerWaalsContact OD1-CB 3.28Å; N523-D525 WeakPolarHBondContact OD1-CB 3.42Å; N523-D525 PolarHBondContact OD1-N 3.27Å; N523-I526 HydrophobicContact CB-CD1 3.99Å; N523-I526 HydrophobicContact CB-CG1 4.23Å
524	Q	93.8	Very high	92.1	Very high	17 Å²	17	33.3 Å²	33.3	8%	0.079	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-81.6	-2	178.3	-57.2	-60.6	-31.5	0	0	113.1	Y244 Q245 G522 I526 F531 R824	Y244-Q524 WeakPolarHBondContact O-CB 3.47Å; Y244-Q524 PolarHBondContact O-N 2.98Å; Q245-Q524 HydrophobicContact CB-CB 4.15Å; G522-Q524 PolarHBondContact O-N 3.41Å; Q524-I526 PolarHBondContact O-N 3.29Å; Q524-F531 HydrophobicContact CB-CE1 3.87Å; Q524-F531 HydrophobicContact CB-CZ 3.9Å; Q524-F531 HydrophobicContact CG-CE1 4.32Å; Q524-F531 WeakPolarHBondContact O-CZ 3.41Å; Q524-R824 PolarHBondContact O-NH2 2.86Å
525	D	93.5	Very high	92.1	Very high	31 Å²	31	31.4 Å²	31.4	17%	0.166	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-80.1	-0.6	176	-66.6	-13.7	0	0	0	113.4	Q245 T246 N523 P820 R824	Q245-D525 WeakPolarHBondContact CA-OD1 3.46Å; T246-D525 WeakPolarHBondContact CB-OD2 3.19Å; T246-D525 VanDerWaalsContact CG2-OD2 3.29Å; T246-D525 WeakPolarHBondContact CG2-OD2 3.47Å; T246-D525 PolarHBondContact N-OD1 2.91Å; T246-D525 VanDerWaalsContact N-OD1 3.08Å; T246-D525 PolarHBondContact N-OD2 3.47Å; T246-D525 PolarHBondContact OG1-OD1 3.29Å; T246-D525 PolarHBondContact OG1-OD2 3.38Å; N523-D525 VanDerWaalsContact C-N 3.27Å; N523-D525 PolarHBondContact O-N 2.87Å; N523-D525 VanDerWaalsContact OD1-CB 3.28Å; N523-D525 WeakPolarHBondContact OD1-CB 3.42Å; N523-D525 PolarHBondContact OD1-N 3.27Å; D525-P820 HydrophobicContact CB-CB 4.02Å; D525-P820 HydrophobicContact CB-CG 3.96Å; D525-P820 VanDerWaalsContact O-CG 3.27Å; D525-P820 WeakPolarHBondContact O-CG 3.18Å; D525-R824 IonicContact OD1-CZ 3.57Å; D525-R824 IonicContact OD1-NH1 3.18Å; D525-R824 PolarHBondContact OD1-NH1 3.38Å; D525-R824 IonicContact OD1-NH2 3.68Å; D525-R824 PolarHBondContact OD1-NH2 2.99Å
526	I	92.9	Very high	92.1	Very high	31 Å²	31	32.1 Å²	32.1	16%	0.159	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-80.7	-31.6	-179.8	-60.8	176	0	0	0	112.4	Y514 V517 V518 N523 Q524 N615	Y514-I526 HydrophobicContact CD1-CG2 4.02Å; Y514-I526 HydrophobicContact CE1-CG2 4.48Å; V517-I526 HydrophobicContact CG1-CD1 3.87Å; V518-I526 HydrophobicContact CG2-CB 3.89Å; V518-I526 HydrophobicContact CG2-CD1 4.11Å; V518-I526 HydrophobicContact CG2-CG2 4.08Å; N523-I526 HydrophobicContact CB-CD1 3.99Å; N523-I526 HydrophobicContact CB-CG1 4.23Å; Q524-I526 PolarHBondContact O-N 3.29Å; I526-N615 PolarHBondContact O-ND2 3.13Å
527	C	92.3	Very high	91.9	Very high	1 Å²	1	32 Å²	32	1%	0.007	18%	0.179	C	C	.	.	S	Bend	trans	-127.2	133.7	-173.6	-47.6	0	0	0	0	110.7	Y529 C613	C527-Y529 HydrophobicContact CB-CD2 4.14Å; C527-Y529 HydrophobicContact CB-CE1 4.08Å; C527-Y529 HydrophobicContact CB-CE2 3.45Å; C527-Y529 VanDerWaalsContact CB-CE2 3.45Å; C527-Y529 WeakPolarHBondContact CB-OH 3.44Å; C527-Y529 PolarHBondContact O-N 3.14Å; C527-Y529 PolarHBondContact SG-OH 2.83Å; C527-Y529 VanDerWaalsContact SG-OH 3.4Å; C527-C613 HydrophobicContact CB-CB 3.98Å; C527-C613 WeakPolarHBondContact CB-SG 3.46Å; C527-C613 WeakPolarHBondContact SG-CB 3.44Å; C527-C613 CovalentContact SG-SG 2.04Å; C527-C613 PolarHBondContact SG-SG 3.41Å
528	Y	92.6	Very high	91.5	Very high	32 Å²	32	31.8 Å²	31.8	13%	0.125	19%	0.19	C	C	.	.			trans	-93.3	69.8	-170.4	-70.5	-105.9	0	0	0	112.2	P614 S814 T815 W816 K818 P820	Y528-P614 PolarHBondContact N-O 3.41Å; Y528-P614 WeakPolarHBondContact O-CG 3.27Å; Y528-S814 WeakPolarHBondContact O-CB 3.4Å; Y528-T815 VanDerWaalsContact CD1-O 3.3Å; Y528-T815 WeakPolarHBondContact CD1-O 3.43Å; Y528-W816 HydrophobicContact CD1-CB 4.43Å; Y528-W816 HydrophobicContact CD2-CB 4.15Å; Y528-W816 HydrophobicContact CE2-CB 4.25Å; Y528-W816 HydrophobicContact CG-CB 4.25Å; Y528-K818 WeakPolarHBondContact CE1-O 3.27Å; Y528-K818 PolarHBondContact OH-O 3.21Å; Y528-P820 HydrophobicContact CE1-CB 4.29Å; Y528-P820 HydrophobicContact CE1-CG 3.96Å; Y528-P820 HydrophobicContact CE2-CG 4.39Å; Y528-P820 WeakPolarHBondContact OH-CD 3.43Å
529	Y	92.2	Very high	91	Very high	5 Å²	5	35 Å²	35	2%	0.02	22%	0.216	C	C	.	.			trans	-85.2	154.3	178.1	-47.5	-69.5	0	0	0	113.6	C527 F531 A534 A542 V612 P614 N827	C527-Y529 HydrophobicContact CB-CD2 4.14Å; C527-Y529 HydrophobicContact CB-CE1 4.08Å; C527-Y529 HydrophobicContact CB-CE2 3.45Å; C527-Y529 VanDerWaalsContact CB-CE2 3.45Å; C527-Y529 WeakPolarHBondContact CB-OH 3.44Å; C527-Y529 PolarHBondContact O-N 3.14Å; C527-Y529 PolarHBondContact SG-OH 2.83Å; C527-Y529 VanDerWaalsContact SG-OH 3.4Å; Y529-F531 HydrophobicContact CD2-CD1 4.35Å; Y529-F531 AromaticContact CD2-CE1 3.69Å; Y529-F531 HydrophobicContact CD2-CE1 3.69Å; Y529-F531 HydrophobicContact CD2-CE2 4.2Å; Y529-F531 AromaticContact CD2-CZ 3.59Å; Y529-F531 HydrophobicContact CD2-CZ 3.59Å; Y529-F531 HydrophobicContact CE2-CE1 4.45Å; Y529-F531 HydrophobicContact CE2-CZ 4.41Å; Y529-F531 HydrophobicContact CG-CZ 4.46Å; Y529-F531 WeakPolarHBondContact O-CD2 3.48Å; Y529-F531 PolarHBondContact O-N 3.25Å; Y529-A534 HydrophobicContact CG-CB 4.49Å; Y529-A542 HydrophobicContact CD1-CB 4.03Å; Y529-A542 HydrophobicContact CE1-CB 4.1Å; Y529-V612 WeakPolarHBondContact CE1-O 3.43Å; Y529-V612 PolarHBondContact OH-O 3.02Å; Y529-P614 HydrophobicContact CD1-CG 4.13Å; Y529-P614 VanDerWaalsContact CE1-CD 3.46Å; Y529-P614 HydrophobicContact CE1-CG 4.36Å; Y529-N827 PolarHBondContact O-ND2 2.88Å
530	N	93.7	Very high	90.9	Very high	11 Å²	11	34 Å²	34	6%	0.059	21%	0.21	C	C	.	.			trans	-68.9	81.3	151.5	-179.8	18.1	0	0	0	109.7	L532 C533 A534 L813 N827 R828 D837	N530-L532 PolarHBondContact O-N 3.44Å; N530-C533 WeakPolarHBondContact ND2-CB 3.14Å; N530-C533 CarbonylContact O-C 3.55Å; N530-C533 PolarHBondContact O-N 2.88Å; N530-A534 PolarHBondContact O-N 3.03Å; N530-L813 HydrophobicContact CB-CB 4.48Å; N530-N827 WeakPolarHBondContact OD1-CA 3.43Å; N530-N827 VanDerWaalsContact OD1-CB 3.28Å; N530-N827 WeakPolarHBondContact OD1-CB 3.43Å; N530-R828 PolarHBondContact ND2-O 2.85Å; N530-R828 PolarHBondContact OD1-N 2.85Å; N530-R828 VanDerWaalsContact OD1-N 3.08Å; N530-R828 PolarHBondContact OD1-O 3.21Å; N530-R828 VanDerWaalsContact OD1-O 3.09Å; N530-D837 PolarHBondContact ND2-OD2 2.86Å
531	F	92.9	Very high	90.6	Very high	14 Å²	14	29.2 Å²	29.2	6%	0.061	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-12.5	-176.2	-72.7	-88.1	0	0	0	115	I208 A252 Q524 Y529 R824 N827	I208-F531 WeakPolarHBondContact CD1-O 3.44Å; A252-F531 HydrophobicContact CB-CB 4.16Å; Q524-F531 HydrophobicContact CB-CE1 3.87Å; Q524-F531 HydrophobicContact CB-CZ 3.9Å; Q524-F531 HydrophobicContact CG-CE1 4.32Å; Q524-F531 WeakPolarHBondContact O-CZ 3.41Å; Y529-F531 HydrophobicContact CD2-CD1 4.35Å; Y529-F531 AromaticContact CD2-CE1 3.69Å; Y529-F531 HydrophobicContact CD2-CE1 3.69Å; Y529-F531 HydrophobicContact CD2-CE2 4.2Å; Y529-F531 AromaticContact CD2-CZ 3.59Å; Y529-F531 HydrophobicContact CD2-CZ 3.59Å; Y529-F531 HydrophobicContact CE2-CE1 4.45Å; Y529-F531 HydrophobicContact CE2-CZ 4.41Å; Y529-F531 HydrophobicContact CG-CZ 4.46Å; Y529-F531 WeakPolarHBondContact O-CD2 3.48Å; Y529-F531 PolarHBondContact O-N 3.25Å; F531-R824 HydrophobicContact CD2-CG 4.12Å; F531-R824 HydrophobicContact CE2-CG 4.47Å; F531-N827 PolarHBondContact N-ND2 2.92Å; F531-N827 VanDerWaalsContact N-ND2 3.12Å
532	L	92.3	Very high	90.4	Very high	29 Å²	29	26.1 Å²	26.1	15%	0.152	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-15.4	173.8	-68.8	175.5	0	0	0	113.6	I208 K210 A252 N530 N827 R828	I208-L532 HydrophobicContact CD1-CD2 4.42Å; K210-L532 HydrophobicContact CD-CD2 3.71Å; K210-L532 HydrophobicContact CG-CD2 3.95Å; A252-L532 HydrophobicContact CB-CD2 3.76Å; A252-L532 HydrophobicContact CB-CG 4.44Å; N530-L532 PolarHBondContact O-N 3.44Å; L532-N827 HydrophobicContact CD1-CB 4.06Å; L532-N827 HydrophobicContact CG-CB 4.23Å; L532-R828 WeakPolarHBondContact CB-O 3.33Å
533	C	92.9	Very high	90.4	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.007	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.6	-1	174.8	-162.6	0	0	0	0	114.1	N530 H535 C830 D837	N530-C533 WeakPolarHBondContact ND2-CB 3.14Å; N530-C533 CarbonylContact O-C 3.55Å; N530-C533 PolarHBondContact O-N 2.88Å; C533-H535 PolarHBondContact O-CD2 2.82Å; C533-H535 PolarHBondContact O-N 2.88Å; C533-H535 VanDerWaalsContact O-N 3.11Å; C533-C830 WeakPolarHBondContact CA-SG 3.38Å; C533-C830 HydrophobicContact CB-CB 4.12Å; C533-C830 WeakPolarHBondContact CB-SG 3.37Å; C533-C830 WeakPolarHBondContact SG-CA 3.39Å; C533-C830 WeakPolarHBondContact SG-CB 3.3Å; C533-C830 CovalentContact SG-SG 2.03Å; C533-C830 PolarHBondContact SG-SG 3.07Å; C533-D837 HydrophobicContact CB-CB 4.1Å
534	A	91.6	Very high	90.3	Very high	12 Å²	12	25.9 Å²	25.9	10%	0.099	16%	0.159	C	C	.	.			trans	-66.9	110	175.8	0	0	0	0	0	111.5	Y529 N530 P536 A542	Y529-A534 HydrophobicContact CG-CB 4.49Å; N530-A534 PolarHBondContact O-N 3.03Å; A534-P536 WeakPolarHBondContact O-CD 3.41Å; A534-A542 HydrophobicContact CB-CB 4.46Å
535	H	90.9	Very high	90.2	Very high	18 Å²	18	25.9 Å²	25.9	8%	0.083	16%	0.16	C	C	.	.			trans	-105	108.5	-175.8	-68.8	-34.2	0	0	0	112.2	I310 Y315 C533 S541 F543 N544 C830 S834 F835	I310-H535 HydrophobicContact CD1-CB 4.06Å; I310-H535 VanDerWaalsContact CD1-CD2 3.48Å; I310-H535 WeakPolarHBondContact CD1-CD2 3.34Å; I310-H535 VanDerWaalsContact CD1-CG 3.46Å; Y315-H535 HydrophobicContact CE1-CB 4.25Å; C533-H535 PolarHBondContact O-CD2 2.82Å; C533-H535 PolarHBondContact O-N 2.88Å; C533-H535 VanDerWaalsContact O-N 3.11Å; H535-S541 CarbonylContact C-O 3.57Å; H535-F543 WeakPolarHBondContact O-CB 3.43Å; H535-F543 PolarHBondContact O-N 2.88Å; H535-N544 PolarHBondContact N-OD1 3.18Å; H535-C830 PolarHBondContact NE2-SG 2.82Å; H535-S834 PolarHBondContact NE2-O 2.76Å; H535-F835 HydrophobicContact CB-CE2 4.4Å; H535-F835 AromaticContact CD2-CD2 3.79Å; H535-F835 PolarHBondContact CD2-O 2.69Å
536	P	89.9	Confident	90.2	Very high	25 Å²	25	26.7 Å²	26.7	16%	0.162	16%	0.163	C	C	.	.			trans	-81.1	136.6	-174.1	31.4	-35.2	0	0	0	112.7	T254 Y315 A534 L540 S541	T254-P536 HydrophobicContact CG2-CG 3.92Å; Y315-P536 PolarHBondContact OH-O 3.33Å; Y315-P536 VanDerWaalsContact OH-O 3.09Å; A534-P536 WeakPolarHBondContact O-CD 3.41Å; P536-L540 CarbonylContact C-O 3.51Å; P536-L540 WeakPolarHBondContact CA-O 3.04Å; P536-S541 WeakPolarHBondContact CA-O 3.2Å
537	L	87.1	Confident	90.2	Very high	73 Å²	73	25.8 Å²	25.8	38%	0.382	16%	0.159	S	C	.	.	B	Isolated β-bridge	trans	-131.4	121	173.3	-167.9	67.5	0	0	0	111	Y315 A539 L540 F543	Y315-L537 HydrophobicContact CD1-CD1 4.36Å; Y315-L537 HydrophobicContact CE1-CB 4.41Å; Y315-L537 HydrophobicContact CE1-CD1 4.28Å; L537-A539 PolarHBondContact O-N 3.35Å; L537-L540 PolarHBondContact N-O 3.03Å; L537-L540 PolarHBondContact O-N 3.46Å; L537-F543 HydrophobicContact CB-CB 3.66Å; L537-F543 HydrophobicContact CB-CD1 4.2Å; L537-F543 HydrophobicContact CB-CD2 4.14Å; L537-F543 HydrophobicContact CB-CG 3.73Å; L537-F543 HydrophobicContact CD2-CD1 3.73Å; L537-F543 HydrophobicContact CD2-CD2 3.77Å; L537-F543 HydrophobicContact CD2-CE1 3.72Å; L537-F543 HydrophobicContact CD2-CE2 3.76Å; L537-F543 HydrophobicContact CD2-CG 3.76Å; L537-F543 HydrophobicContact CD2-CZ 3.74Å; L537-F543 HydrophobicContact CG-CG 4.4Å
538	G	83.8	Confident	90.3	Very high	58 Å²	58	25.7 Å²	25.7	60%	0.598	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.5	-105.3	-176.9	0	0	0	0	0	111.7
539	A	80.7	Confident	90.5	Very high	68 Å²	68	24.2 Å²	24.2	56%	0.562	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-4.2	178.5	0	0	0	0	0	114	Q515 N519 L537	Q515-A539 VanDerWaalsContact CG-O 3.24Å; Q515-A539 WeakPolarHBondContact CG-O 3.34Å; Q515-A539 PolarHBondContact NE2-O 2.99Å; N519-A539 PolarHBondContact ND2-O 3.15Å; L537-A539 PolarHBondContact O-N 3.35Å
540	L	85.1	Confident	90.6	Very high	65 Å²	65	26.4 Å²	26.4	34%	0.34	17%	0.165	S	C	.	.	B	Isolated β-bridge	trans	-97.8	132.9	-174.7	-61.4	160.4	0	0	0	110.2	P536 L537 I546 V612	P536-L540 CarbonylContact C-O 3.51Å; P536-L540 WeakPolarHBondContact CA-O 3.04Å; L537-L540 PolarHBondContact N-O 3.03Å; L537-L540 PolarHBondContact O-N 3.46Å; L540-I546 HydrophobicContact CD1-CD1 3.76Å; L540-I546 HydrophobicContact CD2-CD1 4.41Å; L540-I546 HydrophobicContact CG-CD1 4.48Å; L540-V612 HydrophobicContact CD2-CG1 3.75Å; L540-V612 HydrophobicContact CD2-CG2 4.19Å
541	S	85.1	Confident	90.8	Very high	19 Å²	19	25.9 Å²	25.9	13%	0.133	16%	0.162	C	C	.	.	S	Bend	trans	-79	-30.4	-175.2	-69.3	0	0	0	0	114.9	Q515 H535 P536	Q515-S541 PolarHBondContact NE2-OG 2.75Å; H535-S541 CarbonylContact C-O 3.57Å; P536-S541 WeakPolarHBondContact CA-O 3.2Å
542	A	88.2	Confident	91	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.16	C	C	.	.			trans	-134.1	78.3	-176	0	0	0	0	0	110.7	Y529 A534 N545	Y529-A542 HydrophobicContact CD1-CB 4.03Å; Y529-A542 HydrophobicContact CE1-CB 4.1Å; A534-A542 HydrophobicContact CB-CB 4.46Å; A542-N545 HydrophobicContact CB-CB 4.45Å; A542-N545 WeakPolarHBondContact CB-ND2 3.09Å
543	F	91.8	Very high	91.2	Very high	34 Å²	34	26 Å²	26	15%	0.149	16%	0.164	C	C	.	.	H	α-helix	trans	-72.6	-28.8	-179	176	-105.1	0	0	0	112.8	Y315 M319 H535 L537 N545 I546 L547 F835	Y315-F543 HydrophobicContact CD1-CD1 4.11Å; Y315-F543 HydrophobicContact CE1-CD1 4.35Å; M319-F543 HydrophobicContact CG-CE1 4.31Å; M319-F543 HydrophobicContact SD-CE1 4.15Å; M319-F543 HydrophobicContact SD-CZ 4.15Å; H535-F543 WeakPolarHBondContact O-CB 3.43Å; H535-F543 PolarHBondContact O-N 2.88Å; L537-F543 HydrophobicContact CB-CB 3.66Å; L537-F543 HydrophobicContact CB-CD1 4.2Å; L537-F543 HydrophobicContact CB-CD2 4.14Å; L537-F543 HydrophobicContact CB-CG 3.73Å; L537-F543 HydrophobicContact CD2-CD1 3.73Å; L537-F543 HydrophobicContact CD2-CD2 3.77Å; L537-F543 HydrophobicContact CD2-CE1 3.72Å; L537-F543 HydrophobicContact CD2-CE2 3.76Å; L537-F543 HydrophobicContact CD2-CG 3.76Å; L537-F543 HydrophobicContact CD2-CZ 3.74Å; L537-F543 HydrophobicContact CG-CG 4.4Å; F543-N545 VanDerWaalsContact C-N 3.32Å; F543-N545 PolarHBondContact O-N 2.98Å; F543-I546 HydrophobicContact CD2-CD1 4.32Å; F543-I546 PolarHBondContact O-N 3.18Å; F543-L547 PolarHBondContact O-N 3.16Å; F543-L547 VanDerWaalsContact O-N 3.12Å; F543-F835 HydrophobicContact CD1-CZ 4.24Å
544	N	93	Very high	91.4	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-56.5	-44.6	174.3	58.9	-65.1	0	0	0	111.7	H535 I546 L547 S548 F835 F836 D840	H535-N544 PolarHBondContact N-OD1 3.18Å; N544-I546 VanDerWaalsContact C-N 3.28Å; N544-I546 PolarHBondContact O-N 3.2Å; N544-L547 WeakPolarHBondContact O-CB 3.46Å; N544-L547 PolarHBondContact O-N 2.82Å; N544-S548 PolarHBondContact O-N 3.24Å; N544-S548 PolarHBondContact O-OG 3.46Å; N544-F835 HydrophobicContact CB-CD1 4.04Å; N544-F835 HydrophobicContact CB-CE1 3.58Å; N544-F835 HydrophobicContact CB-CZ 4.09Å; N544-F835 WeakPolarHBondContact CB-O 3.29Å; N544-F836 HydrophobicContact CB-CD1 4.37Å; N544-D840 PolarHBondContact ND2-OD2 3.39Å
545	N	90.9	Very high	91.7	Very high	17 Å²	17	27.4 Å²	27.4	9%	0.091	17%	0.169	C	C	.	.	H	α-helix	trans	-61.5	-30.6	177.4	-55.8	0.7	0	0	0	114.2	A542 F543 S548 N549 H611 D840	A542-N545 HydrophobicContact CB-CB 4.45Å; A542-N545 WeakPolarHBondContact CB-ND2 3.09Å; F543-N545 VanDerWaalsContact C-N 3.32Å; F543-N545 PolarHBondContact O-N 2.98Å; N545-S548 PolarHBondContact O-OG 2.79Å; N545-S548 VanDerWaalsContact O-OG 3.09Å; N545-N549 PolarHBondContact O-ND2 3.45Å; N545-H611 HydrophobicContact CB-CB 3.66Å; N545-H611 PolarHBondContact ND2-O 3.04Å; N545-H611 VanDerWaalsContact ND2-O 3.08Å; N545-D840 WeakPolarHBondContact CA-OD1 3.49Å
546	I	93.6	Very high	92	Very high	47 Å²	47	26.5 Å²	26.5	24%	0.241	17%	0.165	C	C	.	.	H	α-helix	trans	-73.6	-42	175.4	-55.7	172.9	0	0	0	109.4	L540 F543 N544 N549 L550 A608 V612	L540-I546 HydrophobicContact CD1-CD1 3.76Å; L540-I546 HydrophobicContact CD2-CD1 4.41Å; L540-I546 HydrophobicContact CG-CD1 4.48Å; F543-I546 HydrophobicContact CD2-CD1 4.32Å; F543-I546 PolarHBondContact O-N 3.18Å; N544-I546 VanDerWaalsContact C-N 3.28Å; N544-I546 PolarHBondContact O-N 3.2Å; I546-N549 PolarHBondContact O-N 2.91Å; I546-L550 PolarHBondContact O-N 2.93Å; I546-A608 HydrophobicContact CG2-CB 4.25Å; I546-V612 HydrophobicContact CD1-CG2 3.55Å; I546-V612 HydrophobicContact CG1-CG2 3.63Å
547	L	94.4	Very high	92.4	Very high	12 Å²	12	28.4 Å²	28.4	6%	0.063	17%	0.173	C	C	.	.	H	α-helix	trans	-69.1	-36	-177.6	-177.7	62.8	0	0	0	112.2	M319 C322 F543 N544 L550 F835 F836	M319-L547 HydrophobicContact CB-CD2 4.41Å; M319-L547 HydrophobicContact CG-CD1 4.22Å; M319-L547 HydrophobicContact CG-CD2 3.75Å; C322-L547 HydrophobicContact CB-CD1 3.95Å; C322-L547 HydrophobicContact CB-CD2 4.4Å; C322-L547 HydrophobicContact CB-CG 3.98Å; C322-L547 PolarHBondContact SG-O 3.32Å; F543-L547 PolarHBondContact O-N 3.16Å; F543-L547 VanDerWaalsContact O-N 3.12Å; N544-L547 WeakPolarHBondContact O-CB 3.46Å; N544-L547 PolarHBondContact O-N 2.82Å; L547-L550 HydrophobicContact CD1-CD2 4.18Å; L547-L550 VanDerWaalsContact O-CB 3.27Å; L547-L550 WeakPolarHBondContact O-CB 3.47Å; L547-L550 PolarHBondContact O-N 3.26Å; L547-F835 HydrophobicContact CD2-CE1 3.9Å; L547-F836 HydrophobicContact CB-CE1 4.41Å; L547-F836 HydrophobicContact CD2-CE1 4.07Å; L547-F836 HydrophobicContact CD2-CZ 3.73Å; L547-F836 HydrophobicContact CG-CE1 4.26Å; L547-F836 HydrophobicContact CG-CZ 4.18Å
548	S	94.6	Very high	92.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.9	-39.3	174.2	56.6	0	0	0	0	112.5	N544 N545 L550 D840	N544-S548 PolarHBondContact O-N 3.24Å; N544-S548 PolarHBondContact O-OG 3.46Å; N545-S548 PolarHBondContact O-OG 2.79Å; N545-S548 VanDerWaalsContact O-OG 3.09Å; S548-L550 VanDerWaalsContact C-N 3.27Å; S548-L550 PolarHBondContact O-N 3.48Å; S548-D840 WeakPolarHBondContact CB-OD1 3.33Å; S548-D840 PolarHBondContact OG-OD1 2.87Å
549	N	95.4	Very high	93.5	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-69.9	-14.2	176.5	-87	-74.4	0	0	0	115.3	N545 I546 G551 Y552 S607 A608 H843	N545-N549 PolarHBondContact O-ND2 3.45Å; I546-N549 PolarHBondContact O-N 2.91Å; N549-G551 PolarHBondContact O-N 2.91Å; N549-G551 VanDerWaalsContact O-N 3.1Å; N549-Y552 WeakPolarHBondContact O-CD2 2.94Å; N549-Y552 PolarHBondContact O-N 2.9Å; N549-Y552 WeakPolarHBondContact OD1-CE2 3.36Å; N549-S607 VanDerWaalsContact OD1-CB 3.26Å; N549-S607 WeakPolarHBondContact OD1-CB 3.38Å; N549-S607 PolarHBondContact OD1-OG 3.26Å; N549-A608 HydrophobicContact CB-CB 3.84Å; N549-H843 PolarHBondContact ND2-CD2 2.71Å; N549-H843 VanDerWaalsContact ND2-CD2 3.32Å; N549-H843 PolarHBondContact OD1-ND1 2.86Å
550	L	95.7	Very high	94.3	Very high	51 Å²	51	20.4 Å²	20.4	27%	0.267	11%	0.108	S	C	.	.	H	α-helix	trans	-58.1	-25.2	175.6	-175.4	59.7	0	0	0	112.8	L323 I546 L547 S548 Y552 V553 M554	L323-L550 HydrophobicContact CD2-CD2 3.88Å; I546-L550 PolarHBondContact O-N 2.93Å; L547-L550 HydrophobicContact CD1-CD2 4.18Å; L547-L550 VanDerWaalsContact O-CB 3.27Å; L547-L550 WeakPolarHBondContact O-CB 3.47Å; L547-L550 PolarHBondContact O-N 3.26Å; S548-L550 VanDerWaalsContact C-N 3.27Å; S548-L550 PolarHBondContact O-N 3.48Å; L550-Y552 PolarHBondContact O-N 2.64Å; L550-V553 PolarHBondContact O-N 2.84Å; L550-M554 HydrophobicContact CD1-CG 4.27Å; L550-M554 HydrophobicContact CG-CG 4.1Å; L550-M554 WeakPolarHBondContact O-CG 3.31Å; L550-M554 PolarHBondContact O-N 3.42Å
551	G	96.3	Very high	94.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-56.8	-45	177.6	0	0	0	0	0	114.3	F326 N549 V553 M554 L555	F326-G551 VanDerWaalsContact CE1-CA 3.46Å; N549-G551 PolarHBondContact O-N 2.91Å; N549-G551 VanDerWaalsContact O-N 3.1Å; G551-V553 VanDerWaalsContact C-N 3.33Å; G551-V553 PolarHBondContact O-N 2.92Å; G551-M554 PolarHBondContact O-N 2.74Å; G551-L555 WeakPolarHBondContact O-CB 3.46Å; G551-L555 WeakPolarHBondContact O-CG 3.48Å; G551-L555 PolarHBondContact O-N 3.3Å
552	Y	97.4	Very high	95.3	Very high	6 Å²	6	21.8 Å²	21.8	2%	0.024	11%	0.113	C	C	.	.	H	α-helix	trans	-63.8	-38.7	178.4	-58	-84.4	0	0	0	111.8	N549 L550 G556 L600 E603 H843 S846 S847	N549-Y552 WeakPolarHBondContact O-CD2 2.94Å; N549-Y552 PolarHBondContact O-N 2.9Å; N549-Y552 WeakPolarHBondContact OD1-CE2 3.36Å; L550-Y552 PolarHBondContact O-N 2.64Å; Y552-G556 WeakPolarHBondContact O-CA 3.41Å; Y552-G556 PolarHBondContact O-N 2.62Å; Y552-L600 WeakPolarHBondContact CB-O 3.13Å; Y552-L600 HydrophobicContact CD1-CD1 3.86Å; Y552-E603 HydrophobicContact CD1-CG 4.34Å; Y552-E603 HydrophobicContact CE1-CG 4.43Å; Y552-H843 HydrophobicContact CE2-CB 4.22Å; Y552-H843 AromaticContact CE2-CE1 2.86Å; Y552-H843 WeakPolarHBondContact CE2-CE1 3.46Å; Y552-H843 AromaticContact CE2-ND1 3.6Å; Y552-H843 AromaticContact CZ-CE1 2.94Å; Y552-H843 AromaticContact CZ-ND1 3.89Å; Y552-H843 PolarHBondContact OH-CE1 2.9Å; Y552-H843 PolarHBondContact OH-ND1 2.88Å; Y552-S846 PolarHBondContact OH-OG 3.32Å; Y552-S847 VanDerWaalsContact CD1-CB 3.47Å
553	V	97.4	Very high	95.6	Very high	38 Å²	38	21.8 Å²	21.8	23%	0.23	11%	0.113	C	C	.	.	H	α-helix	trans	-67	-45.9	178.6	-171.3	0	0	0	0	111.1	L550 G551 L557 M601	L550-V553 PolarHBondContact O-N 2.84Å; G551-V553 VanDerWaalsContact C-N 3.33Å; G551-V553 PolarHBondContact O-N 2.92Å; V553-L557 WeakPolarHBondContact O-CB 3.38Å; V553-L557 PolarHBondContact O-N 3.4Å; V553-M601 HydrophobicContact CG1-CE 4.12Å
554	M	97.5	Very high	95.6	Very high	43 Å²	43	25.9 Å²	25.9	21%	0.212	13%	0.131	C	C	.	.	H	α-helix	trans	-67.8	-46.4	178.9	-69.2	-76.7	89.3	0	0	112.3	F326 Y330 L550 G551 L557 L558	F326-M554 HydrophobicContact CB-CB 4.01Å; F326-M554 HydrophobicContact CB-CG 4.38Å; F326-M554 HydrophobicContact CG-CB 4.44Å; Y330-M554 HydrophobicContact CE2-CB 4.36Å; Y330-M554 PolarHBondContact OH-O 2.98Å; L550-M554 HydrophobicContact CD1-CG 4.27Å; L550-M554 HydrophobicContact CG-CG 4.1Å; L550-M554 WeakPolarHBondContact O-CG 3.31Å; L550-M554 PolarHBondContact O-N 3.42Å; G551-M554 PolarHBondContact O-N 2.74Å; M554-L557 HydrophobicContact CE-CD2 4.32Å; M554-L557 PolarHBondContact O-N 3.48Å; M554-L558 WeakPolarHBondContact O-CB 3.05Å; M554-L558 PolarHBondContact O-N 3.09Å
555	L	97.6	Very high	95.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-74.1	-30.8	-179.8	-65.2	176.4	0	0	0	112.6	F326 F329 G551 L558 F559 S847 I848 F851	F326-L555 HydrophobicContact CD1-CD1 3.8Å; F326-L555 HydrophobicContact CD1-CD2 4.19Å; F326-L555 HydrophobicContact CD1-CG 3.8Å; F326-L555 HydrophobicContact CE1-CD1 3.75Å; F326-L555 HydrophobicContact CE1-CG 4.22Å; F329-L555 HydrophobicContact CB-CD2 3.95Å; F329-L555 HydrophobicContact CD1-CD2 4.39Å; F329-L555 HydrophobicContact CD2-CD2 4.08Å; F329-L555 HydrophobicContact CG-CD2 3.9Å; G551-L555 WeakPolarHBondContact O-CB 3.46Å; G551-L555 WeakPolarHBondContact O-CG 3.48Å; G551-L555 PolarHBondContact O-N 3.3Å; L555-L558 HydrophobicContact CD2-CD2 4.19Å; L555-L558 PolarHBondContact O-N 3.36Å; L555-F559 WeakPolarHBondContact O-CB 3.45Å; L555-F559 PolarHBondContact O-N 2.97Å; L555-S847 WeakPolarHBondContact CD1-O 3.48Å; L555-I848 HydrophobicContact CD1-CB 4.44Å; L555-I848 HydrophobicContact CD1-CG1 3.91Å; L555-F851 HydrophobicContact CB-CB 3.93Å; L555-F851 HydrophobicContact CB-CD2 3.95Å; L555-F851 HydrophobicContact CB-CG 4Å; L555-F851 HydrophobicContact CD1-CB 4.02Å; L555-F851 HydrophobicContact CD1-CG 4.41Å; L555-F851 HydrophobicContact CD2-CD1 4.18Å; L555-F851 HydrophobicContact CD2-CD2 4.44Å; L555-F851 HydrophobicContact CD2-CE1 4.41Å; L555-F851 HydrophobicContact CD2-CG 4.19Å; L555-F851 HydrophobicContact CG-CB 4.44Å; L555-F851 HydrophobicContact CG-CG 4.44Å; L555-F851 WeakPolarHBondContact O-CD2 3.42Å
556	G	97.3	Very high	95.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.7	-47.3	168.7	0	0	0	0	0	112.1	Y552 L558 F559 L560	Y552-G556 WeakPolarHBondContact O-CA 3.41Å; Y552-G556 PolarHBondContact O-N 2.62Å; G556-L558 PolarHBondContact O-N 3.26Å; G556-F559 WeakPolarHBondContact O-CB 3.49Å; G556-F559 PolarHBondContact O-N 3.49Å; G556-L560 WeakPolarHBondContact O-CG 3.35Å; G556-L560 PolarHBondContact O-N 2.81Å
557	L	97.4	Very high	95.4	Very high	64 Å²	64	32.1 Å²	32.1	34%	0.335	16%	0.155	S	C	.	.	H	α-helix	trans	-62.9	-41.4	174.6	179.3	59.8	0	0	0	112.2	V553 M554 F559 L560 L561 M601	V553-L557 WeakPolarHBondContact O-CB 3.38Å; V553-L557 PolarHBondContact O-N 3.4Å; M554-L557 HydrophobicContact CE-CD2 4.32Å; M554-L557 PolarHBondContact O-N 3.48Å; L557-F559 VanDerWaalsContact C-N 3.33Å; L557-F559 PolarHBondContact O-N 3.03Å; L557-L560 PolarHBondContact O-N 3.32Å; L557-L561 WeakPolarHBondContact O-CG 3.22Å; L557-L561 PolarHBondContact O-N 3.23Å; L557-M601 HydrophobicContact CB-CE 4.18Å; L557-M601 HydrophobicContact CB-SD 4.02Å
558	L	97.6	Very high	95.1	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.021	17%	0.165	C	C	.	.	H	α-helix	trans	-61	-41.1	173.6	-178.8	58.4	0	0	0	111.8	F329 Y330 T333 M554 L555 G556 L561 I562 F851	F329-L558 HydrophobicContact CB-CD2 3.57Å; Y330-L558 HydrophobicContact CD1-CD1 3.86Å; Y330-L558 HydrophobicContact CD2-CB 4.46Å; Y330-L558 HydrophobicContact CD2-CD1 4.41Å; Y330-L558 HydrophobicContact CD2-CD2 4.18Å; Y330-L558 HydrophobicContact CE1-CB 4.27Å; Y330-L558 HydrophobicContact CE1-CD1 4.09Å; Y330-L558 HydrophobicContact CE2-CB 3.98Å; Y330-L558 HydrophobicContact CE2-CD2 4.44Å; Y330-L558 HydrophobicContact CG-CD1 4.05Å; Y330-L558 HydrophobicContact CG-CD2 4.49Å; T333-L558 HydrophobicContact CG2-CD1 4.12Å; M554-L558 WeakPolarHBondContact O-CB 3.05Å; M554-L558 PolarHBondContact O-N 3.09Å; L555-L558 HydrophobicContact CD2-CD2 4.19Å; L555-L558 PolarHBondContact O-N 3.36Å; G556-L558 PolarHBondContact O-N 3.26Å; L558-L561 PolarHBondContact O-N 3.41Å; L558-I562 HydrophobicContact CD1-CD1 4.33Å; L558-I562 HydrophobicContact CG-CD1 4.1Å; L558-I562 WeakPolarHBondContact O-CG1 3.17Å; L558-I562 PolarHBondContact O-N 3.43Å; L558-F851 HydrophobicContact CB-CE2 4.21Å; L558-F851 HydrophobicContact CD2-CE1 4.34Å; L558-F851 HydrophobicContact CD2-CE2 4.07Å; L558-F851 HydrophobicContact CD2-CZ 3.63Å; L558-F851 HydrophobicContact CG-CE2 3.99Å; L558-F851 HydrophobicContact CG-CZ 3.92Å
559	F	97.4	Very high	94.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63	-44.6	175.3	-175.1	-108	0	0	0	111.6	L555 G556 L557 L561 I562 V563 Y593 F851 F854 L855 L858	L555-F559 WeakPolarHBondContact O-CB 3.45Å; L555-F559 PolarHBondContact O-N 2.97Å; G556-F559 WeakPolarHBondContact O-CB 3.49Å; G556-F559 PolarHBondContact O-N 3.49Å; L557-F559 VanDerWaalsContact C-N 3.33Å; L557-F559 PolarHBondContact O-N 3.03Å; F559-L561 VanDerWaalsContact C-N 3.29Å; F559-L561 PolarHBondContact O-N 3.07Å; F559-I562 PolarHBondContact O-N 3.38Å; F559-I562 VanDerWaalsContact O-N 3.12Å; F559-V563 HydrophobicContact CD1-CG2 3.98Å; F559-V563 HydrophobicContact CD2-CG2 4.45Å; F559-V563 HydrophobicContact CE1-CG2 3.63Å; F559-V563 HydrophobicContact CE2-CG2 4.13Å; F559-V563 HydrophobicContact CG-CG2 4.38Å; F559-V563 HydrophobicContact CZ-CG2 3.7Å; F559-V563 VanDerWaalsContact O-CG2 3.28Å; F559-V563 WeakPolarHBondContact O-CG2 3.44Å; F559-V563 PolarHBondContact O-N 3.49Å; F559-Y593 HydrophobicContact CE1-CD1 4.49Å; F559-Y593 WeakPolarHBondContact CE1-O 3.34Å; F559-Y593 HydrophobicContact CZ-CD1 4.04Å; F559-Y593 HydrophobicContact CZ-CG 4.47Å; F559-F851 HydrophobicContact CB-CD2 4.11Å; F559-F851 HydrophobicContact CB-CE2 4.05Å; F559-F854 AromaticContact CD1-CD2 3.81Å; F559-F854 HydrophobicContact CD1-CD2 3.81Å; F559-F854 HydrophobicContact CD2-CB 3.92Å; F559-F854 HydrophobicContact CD2-CD2 4.49Å; F559-F854 HydrophobicContact CE1-CB 4.3Å; F559-F854 AromaticContact CE1-CD2 3.87Å; F559-F854 HydrophobicContact CE1-CD2 3.87Å; F559-F854 HydrophobicContact CE1-CG 4.45Å; F559-F854 HydrophobicContact CE2-CB 3.63Å; F559-F854 HydrophobicContact CG-CB 4.39Å; F559-F854 HydrophobicContact CG-CD2 4.13Å; F559-F854 HydrophobicContact CZ-CB 3.84Å; F559-F854 HydrophobicContact CZ-CD2 4.26Å; F559-F854 HydrophobicContact CZ-CG 4.41Å; F559-L855 HydrophobicContact CD2-CD2 4.21Å; F559-L855 HydrophobicContact CE2-CD2 4.4Å; F559-L858 HydrophobicContact CD2-CD2 4.45Å; F559-L858 HydrophobicContact CE2-CB 4.16Å; F559-L858 HydrophobicContact CE2-CD2 3.63Å; F559-L858 HydrophobicContact CE2-CG 4.5Å; F559-L858 HydrophobicContact CZ-CB 4.42Å; F559-L858 HydrophobicContact CZ-CD2 4.13Å
560	L	96.3	Very high	94.3	Very high	28 Å²	28	38.8 Å²	38.8	15%	0.147	19%	0.194	C	C	.	.	H	α-helix	trans	-57	-40.8	174	-67.9	175.6	0	0	0	112.1	G556 L557 V563 F564 Y594 M601	G556-L560 WeakPolarHBondContact O-CG 3.35Å; G556-L560 PolarHBondContact O-N 2.81Å; L557-L560 PolarHBondContact O-N 3.32Å; L560-V563 PolarHBondContact O-N 2.9Å; L560-F564 VanDerWaalsContact O-CB 3.27Å; L560-F564 WeakPolarHBondContact O-CB 3.38Å; L560-F564 PolarHBondContact O-N 2.79Å; L560-Y594 HydrophobicContact CD2-CD1 3.97Å; L560-Y594 WeakPolarHBondContact CD2-O 3.5Å; L560-M601 HydrophobicContact CD1-SD 3.54Å; L560-M601 VanDerWaalsContact CD1-SD 3.54Å
561	L	95.8	Very high	93.8	Very high	87 Å²	87	38.7 Å²	38.7	46%	0.455	20%	0.198	S	C	.	.	H	α-helix	trans	-66.7	-37.3	176	-68.7	170.3	0	0	0	112.8	Y330 L557 L558 F559 K565	Y330-L561 HydrophobicContact CE1-CD1 3.96Å; L557-L561 WeakPolarHBondContact O-CG 3.22Å; L557-L561 PolarHBondContact O-N 3.23Å; L558-L561 PolarHBondContact O-N 3.41Å; F559-L561 VanDerWaalsContact C-N 3.29Å; F559-L561 PolarHBondContact O-N 3.07Å; L561-K565 WeakPolarHBondContact O-CB 3.45Å; L561-K565 PolarHBondContact O-N 3.17Å
562	I	94.9	Very high	93.4	Very high	26 Å²	26	46.2 Å²	46.2	13%	0.133	23%	0.226	C	C	.	.	H	α-helix	trans	-68.5	-42.2	175.6	-68.1	167.3	0	0	0	110.9	T333 L558 F559 K565 R566 F851 L855 L858	T333-I562 HydrophobicContact CG2-CD1 3.91Å; T333-I562 HydrophobicContact CG2-CG1 3.79Å; L558-I562 HydrophobicContact CD1-CD1 4.33Å; L558-I562 HydrophobicContact CG-CD1 4.1Å; L558-I562 WeakPolarHBondContact O-CG1 3.17Å; L558-I562 PolarHBondContact O-N 3.43Å; F559-I562 PolarHBondContact O-N 3.38Å; F559-I562 VanDerWaalsContact O-N 3.12Å; I562-K565 PolarHBondContact O-N 3.46Å; I562-R566 PolarHBondContact O-N 2.84Å; I562-R566 VanDerWaalsContact O-N 3.08Å; I562-F851 HydrophobicContact CD1-CE2 4.24Å; I562-F851 HydrophobicContact CD1-CZ 3.95Å; I562-L855 HydrophobicContact CD1-CD2 4.04Å; I562-L855 HydrophobicContact CG2-CD2 4.28Å; I562-L858 HydrophobicContact CG2-CD2 3.93Å
563	V	94.5	Very high	92.7	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62	-48.4	174.2	173.8	0	0	0	0	110.2	F559 L560 K565 R566 D567 F590 Y594 L858	F559-V563 HydrophobicContact CD1-CG2 3.98Å; F559-V563 HydrophobicContact CD2-CG2 4.45Å; F559-V563 HydrophobicContact CE1-CG2 3.63Å; F559-V563 HydrophobicContact CE2-CG2 4.13Å; F559-V563 HydrophobicContact CG-CG2 4.38Å; F559-V563 HydrophobicContact CZ-CG2 3.7Å; F559-V563 VanDerWaalsContact O-CG2 3.28Å; F559-V563 WeakPolarHBondContact O-CG2 3.44Å; F559-V563 PolarHBondContact O-N 3.49Å; L560-V563 PolarHBondContact O-N 2.9Å; V563-K565 PolarHBondContact O-N 3.26Å; V563-R566 PolarHBondContact O-N 2.86Å; V563-R566 VanDerWaalsContact O-N 3.1Å; V563-D567 WeakPolarHBondContact O-CB 3.35Å; V563-D567 PolarHBondContact O-N 3.02Å; V563-F590 HydrophobicContact CG1-CB 4.09Å; V563-F590 HydrophobicContact CG1-CD1 4.06Å; V563-F590 HydrophobicContact CG1-CG 4.49Å; V563-Y594 HydrophobicContact CB-CD1 4.36Å; V563-Y594 HydrophobicContact CB-CE1 4.18Å; V563-Y594 HydrophobicContact CG1-CD1 3.73Å; V563-Y594 HydrophobicContact CG1-CD2 4.32Å; V563-Y594 HydrophobicContact CG1-CE1 3.58Å; V563-Y594 HydrophobicContact CG1-CE2 4.18Å; V563-Y594 HydrophobicContact CG1-CG 4.11Å; V563-L858 HydrophobicContact CG2-CD2 4.07Å
564	F	93.2	Very high	92	Very high	119 Å²	119	47.3 Å²	47.3	52%	0.522	23%	0.234	S	C	.	.	H	α-helix	trans	-59.1	-43.1	176.9	-179.9	-107.4	0	0	0	112.7	L560 R566 D567 V568 Y594	L560-F564 VanDerWaalsContact O-CB 3.27Å; L560-F564 WeakPolarHBondContact O-CB 3.38Å; L560-F564 PolarHBondContact O-N 2.79Å; F564-R566 PolarHBondContact O-N 2.03Å; F564-D567 PolarHBondContact O-N 2.88Å; F564-V568 HydrophobicContact CD1-CG2 4.32Å; F564-V568 HydrophobicContact CD2-CG2 4.07Å; F564-V568 HydrophobicContact CE1-CG2 3.97Å; F564-V568 HydrophobicContact CE2-CG2 3.7Å; F564-V568 HydrophobicContact CG-CG2 4.37Å; F564-V568 HydrophobicContact CZ-CG2 3.65Å; F564-V568 WeakPolarHBondContact O-CB 3.31Å; F564-V568 VanDerWaalsContact O-CG2 3.32Å; F564-V568 WeakPolarHBondContact O-CG2 3.43Å; F564-V568 PolarHBondContact O-N 3.22Å; F564-Y594 WeakPolarHBondContact CA-OH 3.47Å; F564-Y594 HydrophobicContact CB-CE1 4.25Å
565	K	92.1	Very high	91.4	Very high	85 Å²	85	52.4 Å²	52.4	37%	0.37	26%	0.261	S	S	.	.	H	α-helix	trans	-58	-45.9	173	179.2	-169.9	168	-164	0	111.5	E340 L561 I562 V563 T569	E340-K565 IonicContact OE2-NZ 2.61Å; E340-K565 PolarHBondContact OE2-NZ 3.2Å; L561-K565 WeakPolarHBondContact O-CB 3.45Å; L561-K565 PolarHBondContact O-N 3.17Å; I562-K565 PolarHBondContact O-N 3.46Å; V563-K565 PolarHBondContact O-N 3.26Å; K565-T569 WeakPolarHBondContact O-CB 3.28Å; K565-T569 PolarHBondContact O-N 3.26Å; K565-T569 VanDerWaalsContact O-N 3.11Å; K565-T569 PolarHBondContact O-OG1 3.19Å; K565-T569 VanDerWaalsContact O-OG1 3.1Å
566	R	90.3	Very high	90.8	Very high	72 Å²	72	62.1 Å²	62.1	27%	0.272	30%	0.298	S	S	.	.	H	α-helix	trans	-64.8	-41.9	177.9	-76.8	-173.4	168.4	-132.6	-15.4	111.9	I562 V563 F564 T569 H570 F590 L858 D862	I562-R566 PolarHBondContact O-N 2.84Å; I562-R566 VanDerWaalsContact O-N 3.08Å; V563-R566 PolarHBondContact O-N 2.86Å; V563-R566 VanDerWaalsContact O-N 3.1Å; F564-R566 PolarHBondContact O-N 2.03Å; R566-T569 PolarHBondContact O-N 3.24Å; R566-H570 WeakPolarHBondContact O-CB 3.41Å; R566-H570 PolarHBondContact O-N 3.09Å; R566-F590 HydrophobicContact CB-CE1 3.8Å; R566-F590 HydrophobicContact CB-CZ 4.24Å; R566-L858 PolarHBondContact NH1-O 2.77Å; R566-D862 IonicContact CZ-OD1 3.26Å; R566-D862 IonicContact CZ-OD2 2.62Å; R566-D862 IonicContact NH1-OD1 3.76Å; R566-D862 PolarHBondContact NH1-OD1 2.56Å; R566-D862 IonicContact NH1-OD2 2.64Å; R566-D862 PolarHBondContact NH1-OD2 2.7Å; R566-D862 IonicContact NH2-OD1 3.41Å; R566-D862 IonicContact NH2-OD2 2.81Å; R566-D862 PolarHBondContact NH2-OD2 3.4Å
567	D	90.4	Very high	89.9	Confident	39 Å²	39	67.9 Å²	67.9	21%	0.209	33%	0.329	C	S	.	.	H	α-helix	trans	-64.8	-49.5	180	-169.9	6.3	0	0	0	112.3	V563 F564 T569 H570 S571 F590 Y594	V563-D567 WeakPolarHBondContact O-CB 3.35Å; V563-D567 PolarHBondContact O-N 3.02Å; F564-D567 PolarHBondContact O-N 2.88Å; D567-T569 VanDerWaalsContact C-N 3.3Å; D567-T569 PolarHBondContact O-N 2.89Å; D567-H570 PolarHBondContact O-N 3.41Å; D567-S571 VanDerWaalsContact O-CB 3.27Å; D567-S571 WeakPolarHBondContact O-CB 3.46Å; D567-S571 PolarHBondContact O-N 3.14Å; D567-S571 PolarHBondContact O-OG 2.91Å; D567-S571 PolarHBondContact OD1-OG 2.82Å; D567-F590 HydrophobicContact CB-CB 4.27Å; D567-F590 HydrophobicContact CB-CD1 4.25Å; D567-F590 HydrophobicContact CB-CD2 3.65Å; D567-F590 HydrophobicContact CB-CE2 4.02Å; D567-F590 HydrophobicContact CB-CG 3.78Å; D567-F590 HydrophobicContact CB-CZ 4.45Å; D567-F590 VanDerWaalsContact CG-CD2 3.44Å; D567-F590 VanDerWaalsContact OD1-CD2 3.28Å; D567-F590 WeakPolarHBondContact OD1-CD2 3.42Å; D567-Y594 VanDerWaalsContact CB-OH 3.32Å; D567-Y594 WeakPolarHBondContact CB-OH 3.44Å; D567-Y594 VanDerWaalsContact OD2-CE2 3.32Å; D567-Y594 WeakPolarHBondContact OD2-CE2 3.3Å; D567-Y594 PolarHBondContact OD2-OH 3.47Å
568	V	89	Confident	89.1	Confident	42 Å²	42	68 Å²	68	26%	0.255	33%	0.33	S	S	.	.	H	α-helix	trans	-60.7	-38.8	175	172.9	0	0	0	0	111.6	F564 R572	F564-V568 HydrophobicContact CD1-CG2 4.32Å; F564-V568 HydrophobicContact CD2-CG2 4.07Å; F564-V568 HydrophobicContact CE1-CG2 3.97Å; F564-V568 HydrophobicContact CE2-CG2 3.7Å; F564-V568 HydrophobicContact CG-CG2 4.37Å; F564-V568 HydrophobicContact CZ-CG2 3.65Å; F564-V568 WeakPolarHBondContact O-CB 3.31Å; F564-V568 VanDerWaalsContact O-CG2 3.32Å; F564-V568 WeakPolarHBondContact O-CG2 3.43Å; F564-V568 PolarHBondContact O-N 3.22Å; V568-R572 WeakPolarHBondContact O-CB 3.3Å; V568-R572 WeakPolarHBondContact O-CD 3.42Å; V568-R572 VanDerWaalsContact O-CG 3.23Å; V568-R572 WeakPolarHBondContact O-CG 3.4Å; V568-R572 PolarHBondContact O-N 2.89Å; V568-R572 VanDerWaalsContact O-N 3.11Å
569	T	87.1	Confident	88.1	Confident	78 Å²	78	73 Å²	73	48%	0.479	36%	0.356	S	S	.	.	H	α-helix	trans	-68.1	-44.7	176.2	-68.4	0	0	0	0	112.1	K565 R566 D567 R572 A573	K565-T569 WeakPolarHBondContact O-CB 3.28Å; K565-T569 PolarHBondContact O-N 3.26Å; K565-T569 VanDerWaalsContact O-N 3.11Å; K565-T569 PolarHBondContact O-OG1 3.19Å; K565-T569 VanDerWaalsContact O-OG1 3.1Å; R566-T569 PolarHBondContact O-N 3.24Å; D567-T569 VanDerWaalsContact C-N 3.3Å; D567-T569 PolarHBondContact O-N 2.89Å; T569-R572 PolarHBondContact O-N 2.99Å; T569-A573 PolarHBondContact O-N 3Å; T569-A573 VanDerWaalsContact O-N 3.12Å
570	H	85.9	Confident	87.1	Confident	33 Å²	33	76.6 Å²	76.6	15%	0.153	38%	0.375	C	S	.	.	H	α-helix	trans	-64.2	-44.6	177.1	177.5	-108.8	0	0	0	112	R566 D567 R572 A573 L574 F590	R566-H570 WeakPolarHBondContact O-CB 3.41Å; R566-H570 PolarHBondContact O-N 3.09Å; D567-H570 PolarHBondContact O-N 3.41Å; H570-R572 VanDerWaalsContact C-N 3.29Å; H570-R572 PolarHBondContact O-N 3.37Å; H570-A573 WeakPolarHBondContact O-CB 3.48Å; H570-A573 PolarHBondContact O-N 2.9Å; H570-L574 PolarHBondContact O-N 2.87Å; H570-F590 HydrophobicContact CB-CE2 3.97Å; H570-F590 HydrophobicContact CB-CZ 4.09Å; H570-F590 AromaticContact ND1-CE2 3.79Å
571	S	84.9	Confident	86.1	Confident	49 Å²	49	75.8 Å²	75.8	34%	0.343	37%	0.373	S	S	.	.	H	α-helix	trans	-60.9	-35.7	176.3	-67.2	0	0	0	0	112.4	D567 L575	D567-S571 VanDerWaalsContact O-CB 3.27Å; D567-S571 WeakPolarHBondContact O-CB 3.46Å; D567-S571 PolarHBondContact O-N 3.14Å; D567-S571 PolarHBondContact O-OG 2.91Å; D567-S571 PolarHBondContact OD1-OG 2.82Å; S571-L575 WeakPolarHBondContact O-CB 3.33Å; S571-L575 WeakPolarHBondContact O-CG 3.44Å; S571-L575 PolarHBondContact O-N 3.44Å
572	R	86.8	Confident	85.2	Confident	158 Å²	158	74.6 Å²	74.6	60%	0.596	37%	0.366	S	S	*	.	H	α-helix	trans	-68.9	-33.1	171.9	-73.7	169.7	-175.4	178.3	3.6	113.4	V568 T569 H570 R576	V568-R572 WeakPolarHBondContact O-CB 3.3Å; V568-R572 WeakPolarHBondContact O-CD 3.42Å; V568-R572 VanDerWaalsContact O-CG 3.23Å; V568-R572 WeakPolarHBondContact O-CG 3.4Å; V568-R572 PolarHBondContact O-N 2.89Å; V568-R572 VanDerWaalsContact O-N 3.11Å; T569-R572 PolarHBondContact O-N 2.99Å; H570-R572 VanDerWaalsContact C-N 3.29Å; H570-R572 PolarHBondContact O-N 3.37Å; R572-R576 WeakPolarHBondContact O-CG 3.5Å; R572-R576 PolarHBondContact O-N 2.98Å
573	A	83.9	Confident	84.3	Confident	22 Å²	22	78.3 Å²	78.3	18%	0.182	38%	0.383	C	S	.	.	H	α-helix	trans	-70.5	-41.1	175	0	0	0	0	0	111.4	T569 H570 R576 N577 D578 A581	T569-A573 PolarHBondContact O-N 3Å; T569-A573 VanDerWaalsContact O-N 3.12Å; H570-A573 WeakPolarHBondContact O-CB 3.48Å; H570-A573 PolarHBondContact O-N 2.9Å; A573-R576 CarbonylContact O-C 3.46Å; A573-R576 PolarHBondContact O-N 3.11Å; A573-R576 VanDerWaalsContact O-N 3.13Å; A573-N577 PolarHBondContact O-N 3.04Å; A573-D578 HydrophobicContact CB-CB 4.24Å; A573-D578 WeakPolarHBondContact O-CB 3.31Å; A573-D578 PolarHBondContact O-N 3.05Å; A573-D578 VanDerWaalsContact O-N 3.14Å; A573-A581 HydrophobicContact CB-CB 3.87Å
574	L	82.2	Confident	83.7	Confident	45 Å²	45	79.2 Å²	79.2	24%	0.236	39%	0.389	C	S	.	.	H	α-helix	trans	-60.7	-44.8	171.7	-69.8	175.9	0	0	0	112.1	K482 H570 R576 N577 A581 L582	K482-L574 HydrophobicContact CD-CD2 4.39Å; H570-L574 PolarHBondContact O-N 2.87Å; L574-R576 PolarHBondContact O-N 3.28Å; L574-N577 PolarHBondContact O-N 3Å; L574-N577 PolarHBondContact O-OD1 3.45Å; L574-A581 HydrophobicContact CD2-CB 3.88Å; L574-A581 WeakPolarHBondContact CD2-O 3.27Å; L574-A581 HydrophobicContact CG-CB 4.29Å; L574-L582 HydrophobicContact CD2-CD2 4.5Å
575	L	84.1	Confident	83.3	Confident	150 Å²	150	73.6 Å²	73.6	79%	0.785	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-14.7	175.4	-74.2	169.3	0	0	0	114.2	S571	S571-L575 WeakPolarHBondContact O-CB 3.33Å; S571-L575 WeakPolarHBondContact O-CG 3.44Å; S571-L575 PolarHBondContact O-N 3.44Å
576	R	85	Confident	82.9	Confident	203 Å²	203	70.6 Å²	70.6	77%	0.766	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	1.9	173	-74.2	175	172.8	-167.7	-3.8	113.1	R572 A573 L574 D578	R572-R576 WeakPolarHBondContact O-CG 3.5Å; R572-R576 PolarHBondContact O-N 2.98Å; A573-R576 CarbonylContact O-C 3.46Å; A573-R576 PolarHBondContact O-N 3.11Å; A573-R576 VanDerWaalsContact O-N 3.13Å; L574-R576 PolarHBondContact O-N 3.28Å; R576-D578 PolarHBondContact O-N 2.9Å
577	N	79.8	Confident	82.5	Confident	122 Å²	122	68.1 Å²	68.1	65%	0.652	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	38.4	-172.1	-63.6	-24.8	0	0	0	113.4	A573 L574 L579 L582	A573-N577 PolarHBondContact O-N 3.04Å; L574-N577 PolarHBondContact O-N 3Å; L574-N577 PolarHBondContact O-OD1 3.45Å; N577-L579 PolarHBondContact O-N 2.8Å; N577-L582 HydrophobicContact CB-CD1 4.19Å
578	D	79.9	Confident	82	Confident	65 Å²	65	69.6 Å²	69.6	35%	0.348	35%	0.35	S	S	.	.			trans	-64.1	119.3	176.1	-173.7	-21.6	0	0	0	110.4	A573 R576 N580 A581 L582	A573-D578 HydrophobicContact CB-CB 4.24Å; A573-D578 WeakPolarHBondContact O-CB 3.31Å; A573-D578 PolarHBondContact O-N 3.05Å; A573-D578 VanDerWaalsContact O-N 3.14Å; R576-D578 PolarHBondContact O-N 2.9Å; D578-N580 PolarHBondContact O-N 3.08Å; D578-N580 VanDerWaalsContact O-N 3.12Å; D578-N580 WeakPolarHBondContact OD1-CB 3.4Å; D578-N580 PolarHBondContact OD1-N 3.35Å; D578-N580 PolarHBondContact OD1-ND2 3.4Å; D578-A581 HydrophobicContact CB-CB 4.34Å; D578-A581 PolarHBondContact O-N 2.57Å; D578-L582 PolarHBondContact O-N 3.22Å
579	L	76.1	Confident	81.5	Confident	111 Å²	111	68.3 Å²	68.3	58%	0.581	34%	0.342	S	S	*	.	H	α-helix	trans	-51.6	-34.4	178.2	-77.4	165.6	0	0	0	112.6	N577 L582 E583	N577-L579 PolarHBondContact O-N 2.8Å; L579-L582 PolarHBondContact O-N 2.86Å; L579-E583 PolarHBondContact O-N 3.2Å
580	N	76.1	Confident	81.5	Confident	75 Å²	75	65.5 Å²	65.5	40%	0.401	32%	0.323	S	S	.	.	H	α-helix	trans	-67	-40.1	178.2	-58.2	-84.9	0	0	0	111.4	D578 C584	D578-N580 PolarHBondContact O-N 3.08Å; D578-N580 VanDerWaalsContact O-N 3.12Å; D578-N580 WeakPolarHBondContact OD1-CB 3.4Å; D578-N580 PolarHBondContact OD1-N 3.35Å; D578-N580 PolarHBondContact OD1-ND2 3.4Å; N580-C584 WeakPolarHBondContact O-CB 3.43Å; N580-C584 PolarHBondContact O-N 3.28Å
581	A	74.9	Confident	81.6	Confident	11 Å²	11	64.3 Å²	64.3	9%	0.091	32%	0.319	C	S	.	.	H	α-helix	trans	-77.1	-24.5	175.1	0	0	0	0	0	112.6	K482 A573 L574 D578	K482-A581 PolarHBondContact NZ-O 2.57Å; A573-A581 HydrophobicContact CB-CB 3.87Å; L574-A581 HydrophobicContact CD2-CB 3.88Å; L574-A581 WeakPolarHBondContact CD2-O 3.27Å; L574-A581 HydrophobicContact CG-CB 4.29Å; D578-A581 HydrophobicContact CB-CB 4.34Å; D578-A581 PolarHBondContact O-N 2.57Å
582	L	76.9	Confident	81.8	Confident	61 Å²	61	62 Å²	62	32%	0.319	30%	0.303	S	S	.	.	H	α-helix	trans	-76.2	-55.7	176.8	-75.5	168.5	0	0	0	111.9	K482 L574 N577 D578 L579 R869	K482-L582 PolarHBondContact NZ-O 2.9Å; L574-L582 HydrophobicContact CD2-CD2 4.5Å; N577-L582 HydrophobicContact CB-CD1 4.19Å; D578-L582 PolarHBondContact O-N 3.22Å; L579-L582 PolarHBondContact O-N 2.86Å; L582-R869 VanDerWaalsContact O-CZ 3.29Å; L582-R869 PolarHBondContact O-NH1 2.9Å; L582-R869 PolarHBondContact O-NH2 2.99Å
583	E	77.2	Confident	82.1	Confident	105 Å²	105	55.4 Å²	55.4	49%	0.491	28%	0.278	S	S	.	.	H	α-helix	trans	-119	-20.7	-163.4	-60.6	-177.5	171.9	0	0	115.2	L579 R869	L579-E583 PolarHBondContact O-N 3.2Å; E583-R869 WeakPolarHBondContact O-CG 2.96Å; E583-R869 PolarHBondContact O-N 2.98Å
584	C	82.5	Confident	82.6	Confident	18 Å²	18	56.3 Å²	56.3	12%	0.122	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-93.5	165	179.8	-60.9	0	0	0	0	113	N580 D865 V867 R869	N580-C584 WeakPolarHBondContact O-CB 3.43Å; N580-C584 PolarHBondContact O-N 3.28Å; C584-D865 WeakPolarHBondContact CB-O 3.12Å; C584-V867 CarbonylContact C-O 3.55Å; C584-V867 VanDerWaalsContact CA-O 3.24Å; C584-V867 WeakPolarHBondContact CA-O 3.5Å; C584-V867 WeakPolarHBondContact CB-O 3.38Å; C584-R869 PolarHBondContact O-NH2 3Å
585	G	83.9	Confident	83.1	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.01	27%	0.266	C	S	.	.	S	Bend	trans	67.5	169.8	173.6	0	0	0	0	0	115.8	L864 V867 R869	G585-L864 WeakPolarHBondContact CA-O 3.34Å; G585-L864 PolarHBondContact N-O 3.07Å; G585-V867 PolarHBondContact N-O 2.84Å; G585-R869 WeakPolarHBondContact O-CD 3.45Å; G585-R869 WeakPolarHBondContact O-CG 3.45Å; G585-R869 PolarHBondContact O-NE 3.37Å
586	I	84.5	Confident	83.7	Confident	22 Å²	22	47 Å²	47	11%	0.113	23%	0.229	C	C	.	.	S	Bend	trans	-65.6	132.4	170.5	-64.6	173.2	0	0	0	108.7	K588 K640 D861 L864	I586-K588 WeakPolarHBondContact O-CG 3.39Å; I586-K588 PolarHBondContact O-N 2.94Å; I586-K588 VanDerWaalsContact O-N 3.16Å; I586-K640 HydrophobicContact CD1-CB 4.42Å; I586-K640 WeakPolarHBondContact CD1-O 3.16Å; I586-K640 WeakPolarHBondContact CG2-O 3.41Å; I586-D861 HydrophobicContact CD1-CB 3.68Å; I586-L864 HydrophobicContact CD1-CD1 3.86Å; I586-L864 HydrophobicContact CG1-CD1 4Å
587	P	80.6	Confident	84.2	Confident	20 Å²	20	37.3 Å²	37.3	13%	0.13	19%	0.192	C	C	.	.			trans	-49.1	119	173.8	-30.9	37.4	0	0	0	113	V474 A478 H589 P643	V474-P587 HydrophobicContact CG1-CG 4.46Å; A478-P587 HydrophobicContact CB-CG 3.76Å; P587-H589 WeakPolarHBondContact CB-NE2 3.41Å; P587-H589 PolarHBondContact O-CD2 3.13Å; P587-H589 PolarHBondContact O-N 3.45Å; P587-P643 HydrophobicContact CB-CB 4.2Å; P587-P643 HydrophobicContact CG-CB 4.13Å; P587-P643 HydrophobicContact CG-CG 3.92Å
588	K	79.7	Confident	84.9	Confident	70 Å²	70	32.5 Å²	32.5	30%	0.304	17%	0.167	S	C	.	.			trans	-86	111.4	-171.6	-58.7	-163.1	179.1	-166.7	0	111.3	I586 F590 D865	I586-K588 WeakPolarHBondContact O-CG 3.39Å; I586-K588 PolarHBondContact O-N 2.94Å; I586-K588 VanDerWaalsContact O-N 3.16Å; K588-F590 HydrophobicContact CB-CE2 3.95Å; K588-F590 HydrophobicContact CB-CZ 3.89Å; K588-F590 HydrophobicContact CD-CZ 4.34Å; K588-D865 WeakPolarHBondContact CE-OD1 3.21Å; K588-D865 IonicContact NZ-OD1 2.72Å; K588-D865 PolarHBondContact NZ-OD1 3.34Å; K588-D865 IonicContact NZ-OD2 3.53Å; K588-D865 PolarHBondContact NZ-OD2 3.37Å
589	H	80.3	Confident	85.7	Confident	16 Å²	16	29.4 Å²	29.4	7%	0.074	15%	0.151	C	C	.	.			trans	-119.9	105.5	-178.5	-57.4	-48.2	0	0	0	110.8	L485 Y489 P587 K636	L485-H589 WeakPolarHBondContact CD2-CE1 3.47Å; Y489-H589 HydrophobicContact CD2-CB 3.55Å; Y489-H589 AromaticContact CD2-CG 3.51Å; Y489-H589 AromaticContact CD2-ND1 3.69Å; Y489-H589 HydrophobicContact CE2-CB 3.7Å; Y489-H589 AromaticContact CE2-CD2 3.46Å; Y489-H589 VanDerWaalsContact CE2-CD2 3.46Å; Y489-H589 WeakPolarHBondContact CE2-CD2 3.37Å; Y489-H589 AromaticContact CE2-CE1 3.97Å; Y489-H589 AromaticContact CE2-CG 3.3Å; Y489-H589 AromaticContact CE2-ND1 3.65Å; Y489-H589 AromaticContact CE2-NE2 3.88Å; Y489-H589 HydrophobicContact CG-CB 4.29Å; P587-H589 WeakPolarHBondContact CB-NE2 3.41Å; P587-H589 PolarHBondContact O-CD2 3.13Å; P587-H589 PolarHBondContact O-N 3.45Å; H589-K636 PolarHBondContact O-NZ 2.66Å
590	F	85.7	Confident	86.7	Confident	18 Å²	18	24.2 Å²	24.2	8%	0.079	12%	0.123	C	C	.	.			trans	-86.9	-21.2	-172.5	-59.8	-74.3	0	0	0	114.4	V563 R566 D567 H570 K588 V592 Y593 Y594	V563-F590 HydrophobicContact CG1-CB 4.09Å; V563-F590 HydrophobicContact CG1-CD1 4.06Å; V563-F590 HydrophobicContact CG1-CG 4.49Å; R566-F590 HydrophobicContact CB-CE1 3.8Å; R566-F590 HydrophobicContact CB-CZ 4.24Å; D567-F590 HydrophobicContact CB-CB 4.27Å; D567-F590 HydrophobicContact CB-CD1 4.25Å; D567-F590 HydrophobicContact CB-CD2 3.65Å; D567-F590 HydrophobicContact CB-CE2 4.02Å; D567-F590 HydrophobicContact CB-CG 3.78Å; D567-F590 HydrophobicContact CB-CZ 4.45Å; D567-F590 VanDerWaalsContact CG-CD2 3.44Å; D567-F590 VanDerWaalsContact OD1-CD2 3.28Å; D567-F590 WeakPolarHBondContact OD1-CD2 3.42Å; H570-F590 HydrophobicContact CB-CE2 3.97Å; H570-F590 HydrophobicContact CB-CZ 4.09Å; H570-F590 AromaticContact ND1-CE2 3.79Å; K588-F590 HydrophobicContact CB-CE2 3.95Å; K588-F590 HydrophobicContact CB-CZ 3.89Å; K588-F590 HydrophobicContact CD-CZ 4.34Å; F590-V592 VanDerWaalsContact C-N 3.34Å; F590-V592 PolarHBondContact O-N 2.9Å; F590-Y593 HydrophobicContact CD1-CD2 4.34Å; F590-Y593 CarbonylContact O-C 3.53Å; F590-Y593 WeakPolarHBondContact O-CA 3.31Å; F590-Y593 WeakPolarHBondContact O-CB 3.44Å; F590-Y593 PolarHBondContact O-N 3.24Å; F590-Y594 HydrophobicContact CB-CD2 4.11Å; F590-Y594 HydrophobicContact CB-CE2 3.69Å; F590-Y594 VanDerWaalsContact O-CD2 3.27Å; F590-Y594 WeakPolarHBondContact O-CD2 3.49Å; F590-Y594 PolarHBondContact O-N 3.25Å
591	G	88.1	Confident	87.6	Confident	8 Å²	8	23.1 Å²	23.1	8%	0.082	12%	0.116	C	C	.	.	H	α-helix	trans	-50.9	-44.5	-178.1	0	0	0	0	0	115.3	Y489 Y594 A595	Y489-G591 VanDerWaalsContact O-CA 3.31Å; Y489-G591 WeakPolarHBondContact O-CA 3.23Å; G591-Y594 PolarHBondContact O-N 3Å; G591-A595 PolarHBondContact O-N 2.79Å
592	V	89.4	Confident	88.6	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-71.4	-31.6	176.1	178.8	0	0	0	0	112.4	Y489 Y492 F590 A595 M596 L632 K636	Y489-V592 HydrophobicContact CD1-CG2 4.27Å; Y492-V592 HydrophobicContact CD1-CG2 4.12Å; Y492-V592 HydrophobicContact CD2-CG2 4.16Å; Y492-V592 HydrophobicContact CE1-CG2 4.46Å; Y492-V592 HydrophobicContact CG-CG2 3.95Å; F590-V592 VanDerWaalsContact C-N 3.34Å; F590-V592 PolarHBondContact O-N 2.9Å; V592-A595 PolarHBondContact O-N 3.48Å; V592-M596 HydrophobicContact CG1-SD 4.34Å; V592-M596 VanDerWaalsContact O-CG 3.27Å; V592-M596 WeakPolarHBondContact O-CG 3.49Å; V592-M596 PolarHBondContact O-N 2.92Å; V592-L632 HydrophobicContact CG1-CD2 4.32Å; V592-K636 HydrophobicContact CB-CD 4.15Å; V592-K636 HydrophobicContact CG1-CB 4.03Å; V592-K636 HydrophobicContact CG1-CD 3.99Å; V592-K636 HydrophobicContact CG1-CG 4.28Å
593	Y	93	Very high	89.5	Confident	20 Å²	20	21.1 Å²	21.1	8%	0.078	10%	0.104	C	C	.	.	H	α-helix	trans	-69.3	-37.9	172.8	-68.6	-53.9	0	0	0	111.8	F559 F590 A595 M596 G597 K636 L857 L858	F559-Y593 HydrophobicContact CE1-CD1 4.49Å; F559-Y593 WeakPolarHBondContact CE1-O 3.34Å; F559-Y593 HydrophobicContact CZ-CD1 4.04Å; F559-Y593 HydrophobicContact CZ-CG 4.47Å; F590-Y593 HydrophobicContact CD1-CD2 4.34Å; F590-Y593 CarbonylContact O-C 3.53Å; F590-Y593 WeakPolarHBondContact O-CA 3.31Å; F590-Y593 WeakPolarHBondContact O-CB 3.44Å; F590-Y593 PolarHBondContact O-N 3.24Å; Y593-A595 VanDerWaalsContact C-N 3.33Å; Y593-M596 HydrophobicContact CD1-CE 4.37Å; Y593-M596 HydrophobicContact CD1-SD 3.86Å; Y593-M596 HydrophobicContact CE1-SD 4.38Å; Y593-M596 PolarHBondContact O-N 2.87Å; Y593-G597 PolarHBondContact O-N 2.85Å; Y593-K636 HydrophobicContact CD1-CG 4.17Å; Y593-K636 HydrophobicContact CE1-CD 4.23Å; Y593-K636 HydrophobicContact CE1-CG 3.63Å; Y593-L857 PolarHBondContact OH-O 3.09Å; Y593-L858 HydrophobicContact CD1-CD1 4.47Å; Y593-L858 HydrophobicContact CD2-CD1 3.74Å; Y593-L858 HydrophobicContact CE1-CB 4.4Å; Y593-L858 HydrophobicContact CE1-CD1 4.31Å; Y593-L858 HydrophobicContact CE2-CD1 3.54Å; Y593-L858 HydrophobicContact CG-CD1 4.21Å
594	Y	94.1	Very high	90.3	Very high	41 Å²	41	16.1 Å²	16.1	16%	0.161	8%	0.081	C	C	.	.	H	α-helix	trans	-61.5	-42.6	169.3	-65.6	-62.8	0	0	0	111.1	L560 V563 F564 D567 F590 G591 M596 G597 T598	L560-Y594 HydrophobicContact CD2-CD1 3.97Å; L560-Y594 WeakPolarHBondContact CD2-O 3.5Å; V563-Y594 HydrophobicContact CB-CD1 4.36Å; V563-Y594 HydrophobicContact CB-CE1 4.18Å; V563-Y594 HydrophobicContact CG1-CD1 3.73Å; V563-Y594 HydrophobicContact CG1-CD2 4.32Å; V563-Y594 HydrophobicContact CG1-CE1 3.58Å; V563-Y594 HydrophobicContact CG1-CE2 4.18Å; V563-Y594 HydrophobicContact CG1-CG 4.11Å; F564-Y594 WeakPolarHBondContact CA-OH 3.47Å; F564-Y594 HydrophobicContact CB-CE1 4.25Å; D567-Y594 VanDerWaalsContact CB-OH 3.32Å; D567-Y594 WeakPolarHBondContact CB-OH 3.44Å; D567-Y594 VanDerWaalsContact OD2-CE2 3.32Å; D567-Y594 WeakPolarHBondContact OD2-CE2 3.3Å; D567-Y594 PolarHBondContact OD2-OH 3.47Å; F590-Y594 HydrophobicContact CB-CD2 4.11Å; F590-Y594 HydrophobicContact CB-CE2 3.69Å; F590-Y594 VanDerWaalsContact O-CD2 3.27Å; F590-Y594 WeakPolarHBondContact O-CD2 3.49Å; F590-Y594 PolarHBondContact O-N 3.25Å; G591-Y594 PolarHBondContact O-N 3Å; Y594-M596 PolarHBondContact O-N 3.05Å; Y594-G597 PolarHBondContact O-N 3.03Å; Y594-T598 PolarHBondContact O-N 3.23Å; Y594-T598 PolarHBondContact O-OG1 3.05Å; Y594-T598 VanDerWaalsContact O-OG1 3.13Å
595	A	94.2	Very high	90.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-62.2	-42	176.5	0	0	0	0	0	112.9	I496 G591 V592 Y593 T598 A599 L632	I496-A595 HydrophobicContact CG2-CB 3.8Å; G591-A595 PolarHBondContact O-N 2.79Å; V592-A595 PolarHBondContact O-N 3.48Å; Y593-A595 VanDerWaalsContact C-N 3.33Å; A595-T598 PolarHBondContact O-N 3.18Å; A595-A599 WeakPolarHBondContact O-CB 3.46Å; A595-A599 PolarHBondContact O-N 3.07Å; A595-L632 HydrophobicContact CB-CD1 4.32Å; A595-L632 HydrophobicContact CB-CD2 4.39Å
596	M	95.1	Very high	91.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.6	-44.8	173.5	-71.4	165.5	60.9	0	0	112.1	V592 Y593 Y594 A599 L600 L632 K636 F854 L857	V592-M596 HydrophobicContact CG1-SD 4.34Å; V592-M596 VanDerWaalsContact O-CG 3.27Å; V592-M596 WeakPolarHBondContact O-CG 3.49Å; V592-M596 PolarHBondContact O-N 2.92Å; Y593-M596 HydrophobicContact CD1-CE 4.37Å; Y593-M596 HydrophobicContact CD1-SD 3.86Å; Y593-M596 HydrophobicContact CE1-SD 4.38Å; Y593-M596 PolarHBondContact O-N 2.87Å; Y594-M596 PolarHBondContact O-N 3.05Å; M596-A599 PolarHBondContact O-N 2.85Å; M596-L600 PolarHBondContact O-N 2.88Å; M596-L632 HydrophobicContact CG-CB 3.82Å; M596-K636 HydrophobicContact SD-CB 4.02Å; M596-K636 HydrophobicContact SD-CG 4.07Å; M596-F854 HydrophobicContact CB-CD2 4.38Å; M596-F854 HydrophobicContact CB-CE2 3.86Å; M596-F854 HydrophobicContact CB-CZ 4.05Å; M596-F854 HydrophobicContact CE-CD1 3.66Å; M596-F854 HydrophobicContact CE-CD2 4.29Å; M596-F854 HydrophobicContact CE-CE1 3.82Å; M596-F854 HydrophobicContact CE-CE2 4.43Å; M596-F854 HydrophobicContact CE-CG 3.91Å; M596-F854 HydrophobicContact CE-CZ 4.21Å; M596-F854 WeakPolarHBondContact O-CE2 3.42Å; M596-L857 HydrophobicContact CE-CD1 3.88Å
597	G	96.1	Very high	91.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62.8	-45.1	177.7	0	0	0	0	0	112.9	Y593 Y594 A599 L600 M601	Y593-G597 PolarHBondContact O-N 2.85Å; Y594-G597 PolarHBondContact O-N 3.03Å; G597-A599 VanDerWaalsContact C-N 3.33Å; G597-A599 PolarHBondContact O-N 3.1Å; G597-L600 PolarHBondContact O-N 3.1Å; G597-M601 WeakPolarHBondContact O-CG 3.17Å; G597-M601 PolarHBondContact O-N 3.22Å
598	T	95.5	Very high	92.3	Very high	21 Å²	21	17.1 Å²	17.1	13%	0.129	9%	0.085	C	C	.	.	H	α-helix	trans	-62.1	-40	173.9	-58	0	0	0	0	111.8	F493 I496 Y594 A595 M601 M602	F493-T598 WeakPolarHBondContact CE2-OG1 3.42Å; I496-T598 HydrophobicContact CG2-CG2 4.19Å; Y594-T598 PolarHBondContact O-N 3.23Å; Y594-T598 PolarHBondContact O-OG1 3.05Å; Y594-T598 VanDerWaalsContact O-OG1 3.13Å; A595-T598 PolarHBondContact O-N 3.18Å; T598-M601 PolarHBondContact O-N 3.48Å; T598-M602 PolarHBondContact O-N 3.33Å
599	A	95.6	Very high	92.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-63.7	-41.6	176.7	0	0	0	0	0	111.9	I496 A595 M596 G597 M601 M602 E603 F625 I629 L632	I496-A599 HydrophobicContact CG1-CB 4.4Å; A595-A599 WeakPolarHBondContact O-CB 3.46Å; A595-A599 PolarHBondContact O-N 3.07Å; M596-A599 PolarHBondContact O-N 2.85Å; G597-A599 VanDerWaalsContact C-N 3.33Å; G597-A599 PolarHBondContact O-N 3.1Å; A599-M601 VanDerWaalsContact C-N 3.34Å; A599-M601 PolarHBondContact O-N 3.01Å; A599-M602 PolarHBondContact O-N 2.83Å; A599-E603 PolarHBondContact O-N 3.3Å; A599-F625 HydrophobicContact CB-CD1 4.06Å; A599-F625 HydrophobicContact CB-CE1 4.4Å; A599-I629 HydrophobicContact CB-CD1 4.4Å; A599-I629 HydrophobicContact CB-CG1 3.63Å; A599-L632 HydrophobicContact CB-CD1 4.17Å
600	L	96.4	Very high	93.4	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-66.3	-32.5	175.2	-168.3	67.3	0	0	0	112.9	Y552 M596 G597 E603 G604 I629 M850 F854	Y552-L600 WeakPolarHBondContact CB-O 3.13Å; Y552-L600 HydrophobicContact CD1-CD1 3.86Å; M596-L600 PolarHBondContact O-N 2.88Å; G597-L600 PolarHBondContact O-N 3.1Å; L600-E603 WeakPolarHBondContact O-CB 3.26Å; L600-G604 PolarHBondContact O-N 3.41Å; L600-I629 HydrophobicContact CD1-CD1 4.23Å; L600-M850 HydrophobicContact CD1-CB 3.94Å; L600-M850 HydrophobicContact CD1-CE 4.34Å; L600-M850 HydrophobicContact CD1-CG 4.45Å; L600-F854 HydrophobicContact CB-CE2 3.81Å; L600-F854 HydrophobicContact CB-CZ 4.24Å; L600-F854 HydrophobicContact CD2-CD2 4.12Å; L600-F854 HydrophobicContact CD2-CE2 3.81Å; L600-F854 HydrophobicContact CD2-CZ 4.43Å; L600-F854 HydrophobicContact CG-CE2 4.3Å
601	M	96.8	Very high	93.7	Very high	52 Å²	52	14.2 Å²	14.2	26%	0.256	7%	0.073	S	C	.	.	H	α-helix	trans	-68.2	-36.3	171.6	-68.7	-180	65.7	0	0	112.4	V553 L557 L560 G597 T598 A599 L605	V553-M601 HydrophobicContact CG1-CE 4.12Å; L557-M601 HydrophobicContact CB-CE 4.18Å; L557-M601 HydrophobicContact CB-SD 4.02Å; L560-M601 HydrophobicContact CD1-SD 3.54Å; L560-M601 VanDerWaalsContact CD1-SD 3.54Å; G597-M601 WeakPolarHBondContact O-CG 3.17Å; G597-M601 PolarHBondContact O-N 3.22Å; T598-M601 PolarHBondContact O-N 3.48Å; A599-M601 VanDerWaalsContact C-N 3.34Å; A599-M601 PolarHBondContact O-N 3.01Å; M601-L605 PolarHBondContact O-N 3.37Å
602	M	95.3	Very high	93.8	Very high	22 Å²	22	14.2 Å²	14.2	11%	0.108	7%	0.072	C	C	.	.	H	α-helix	trans	-74	-36	177.3	-80.6	-51.9	-45.1	0	0	113.6	A500 A504 T598 A599 G604 L605 L606 F625	A500-M602 HydrophobicContact CB-CE 4.5Å; A500-M602 HydrophobicContact CB-CG 3.47Å; A500-M602 VanDerWaalsContact CB-CG 3.47Å; A500-M602 HydrophobicContact CB-SD 3.79Å; A504-M602 HydrophobicContact CB-CE 3.73Å; T598-M602 PolarHBondContact O-N 3.33Å; A599-M602 PolarHBondContact O-N 2.83Å; M602-G604 VanDerWaalsContact C-N 3.34Å; M602-G604 PolarHBondContact O-N 3.5Å; M602-L605 HydrophobicContact CE-CB 4.25Å; M602-L605 HydrophobicContact CE-CD2 3.97Å; M602-L605 HydrophobicContact CE-CG 4.35Å; M602-L605 PolarHBondContact O-N 3.45Å; M602-L605 VanDerWaalsContact O-N 3.13Å; M602-L605 HydrophobicContact SD-CD2 4.14Å; M602-L606 HydrophobicContact CB-CD1 4.46Å; M602-L606 HydrophobicContact CE-CD1 3.76Å; M602-L606 HydrophobicContact CE-CD2 4.18Å; M602-L606 HydrophobicContact CE-CG 3.71Å; M602-L606 WeakPolarHBondContact O-CB 3.24Å; M602-L606 WeakPolarHBondContact O-CG 3.4Å; M602-L606 PolarHBondContact O-N 3.05Å; M602-F625 HydrophobicContact CB-CD1 3.54Å; M602-F625 HydrophobicContact CB-CE1 3.43Å; M602-F625 VanDerWaalsContact CB-CE1 3.43Å; M602-F625 HydrophobicContact CB-CG 4.15Å; M602-F625 HydrophobicContact CB-CZ 3.95Å; M602-F625 HydrophobicContact CG-CE1 3.92Å; M602-F625 HydrophobicContact CG-CZ 4.21Å
603	E	95	Very high	93.8	Very high	8 Å²	8	14.2 Å²	14.2	4%	0.037	7%	0.072	C	C	.	.	H	α-helix	trans	-48.3	-55.8	170.3	-176.6	71	-176	0	0	110.7	Y552 A599 L600 L605 L606 S607 F625 M626 I629	Y552-E603 HydrophobicContact CD1-CG 4.34Å; Y552-E603 HydrophobicContact CE1-CG 4.43Å; A599-E603 PolarHBondContact O-N 3.3Å; L600-E603 WeakPolarHBondContact O-CB 3.26Å; E603-L605 VanDerWaalsContact C-N 3.31Å; E603-L605 PolarHBondContact O-N 2.91Å; E603-L606 PolarHBondContact O-N 2.66Å; E603-S607 WeakPolarHBondContact O-CB 3.18Å; E603-S607 PolarHBondContact O-N 3.23Å; E603-F625 HydrophobicContact CB-CB 4.42Å; E603-F625 WeakPolarHBondContact OE2-CA 3.11Å; E603-F625 WeakPolarHBondContact OE2-CB 3.24Å; E603-M626 WeakPolarHBondContact OE1-CG 3.49Å; E603-M626 PolarHBondContact OE2-N 3.22Å; E603-I629 HydrophobicContact CB-CD1 3.96Å; E603-I629 HydrophobicContact CG-CD1 4.2Å
604	G	95.5	Very high	93.7	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.01	7%	0.069	C	C	.	.	H	α-helix	trans	-60.9	-35.1	178.5	0	0	0	0	0	114.2	L600 M602 A608	L600-G604 PolarHBondContact O-N 3.41Å; M602-G604 VanDerWaalsContact C-N 3.34Å; M602-G604 PolarHBondContact O-N 3.5Å; G604-A608 WeakPolarHBondContact O-CB 3.2Å; G604-A608 PolarHBondContact O-N 2.89Å; G604-A608 VanDerWaalsContact O-N 3.14Å
605	L	94.5	Very high	93.4	Very high	72 Å²	72	12.9 Å²	12.9	38%	0.377	7%	0.069	S	C	.	.	H	α-helix	trans	-72.2	-40.8	177.7	179.8	56.3	0	0	0	112.1	M601 M602 E603 C609	M601-L605 PolarHBondContact O-N 3.37Å; M602-L605 HydrophobicContact CE-CB 4.25Å; M602-L605 HydrophobicContact CE-CD2 3.97Å; M602-L605 HydrophobicContact CE-CG 4.35Å; M602-L605 PolarHBondContact O-N 3.45Å; M602-L605 VanDerWaalsContact O-N 3.13Å; M602-L605 HydrophobicContact SD-CD2 4.14Å; E603-L605 VanDerWaalsContact C-N 3.31Å; E603-L605 PolarHBondContact O-N 2.91Å; L605-C609 WeakPolarHBondContact O-CB 3.41Å; L605-C609 PolarHBondContact O-N 2.84Å; L605-C609 PolarHBondContact O-SG 3.41Å
606	L	93	Very high	92.9	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-79.6	-37.7	-177	-66.9	165.3	0	0	0	112.2	Y503 A504 V507 M602 E603 C609 Y610 F621 F625	Y503-L606 HydrophobicContact CD1-CD1 3.74Å; Y503-L606 HydrophobicContact CD1-CD2 3.88Å; Y503-L606 HydrophobicContact CD1-CG 4.48Å; Y503-L606 HydrophobicContact CE1-CD1 4.01Å; Y503-L606 HydrophobicContact CE1-CD2 4.15Å; A504-L606 HydrophobicContact CB-CD2 4.44Å; V507-L606 HydrophobicContact CB-CD2 4.09Å; V507-L606 HydrophobicContact CG1-CD2 3.94Å; V507-L606 HydrophobicContact CG2-CD2 4.09Å; M602-L606 HydrophobicContact CB-CD1 4.46Å; M602-L606 HydrophobicContact CE-CD1 3.76Å; M602-L606 HydrophobicContact CE-CD2 4.18Å; M602-L606 HydrophobicContact CE-CG 3.71Å; M602-L606 WeakPolarHBondContact O-CB 3.24Å; M602-L606 WeakPolarHBondContact O-CG 3.4Å; M602-L606 PolarHBondContact O-N 3.05Å; E603-L606 PolarHBondContact O-N 2.66Å; L606-C609 WeakPolarHBondContact O-CB 3.19Å; L606-C609 PolarHBondContact O-N 3.08Å; L606-Y610 PolarHBondContact O-N 3.13Å; L606-F621 WeakPolarHBondContact CB-O 3.3Å; L606-F625 HydrophobicContact CD1-CD2 3.24Å; L606-F625 HydrophobicContact CD1-CE2 3.55Å; L606-F625 HydrophobicContact CD1-CG 3.95Å; L606-F625 HydrophobicContact CD1-CZ 4.46Å
607	S	92.8	Very high	92.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63.5	-45.4	171.9	-169	0	0	0	0	111.2	N549 E603 C609 Y610 H611 D622 H843	N549-S607 VanDerWaalsContact OD1-CB 3.26Å; N549-S607 WeakPolarHBondContact OD1-CB 3.38Å; N549-S607 PolarHBondContact OD1-OG 3.26Å; E603-S607 WeakPolarHBondContact O-CB 3.18Å; E603-S607 PolarHBondContact O-N 3.23Å; S607-C609 VanDerWaalsContact C-N 3.32Å; S607-C609 PolarHBondContact O-N 3.44Å; S607-Y610 PolarHBondContact O-N 3.28Å; S607-H611 PolarHBondContact O-CD2 3.39Å; S607-H611 VanDerWaalsContact O-CD2 3.28Å; S607-H611 PolarHBondContact O-N 3.38Å; S607-D622 WeakPolarHBondContact CA-OD1 3.35Å; S607-D622 WeakPolarHBondContact CB-OD1 3.23Å; S607-D622 PolarHBondContact OG-OD1 2.97Å; S607-H843 PolarHBondContact OG-NE2 2.81Å
608	A	92.8	Very high	91.6	Very high	9 Å²	9	20.1 Å²	20.1	7%	0.074	11%	0.105	C	C	.	.	H	α-helix	trans	-56.5	-44.7	170.2	0	0	0	0	0	112.1	I546 N549 G604 H611 V612	I546-A608 HydrophobicContact CG2-CB 4.25Å; N549-A608 HydrophobicContact CB-CB 3.84Å; G604-A608 WeakPolarHBondContact O-CB 3.2Å; G604-A608 PolarHBondContact O-N 2.89Å; G604-A608 VanDerWaalsContact O-N 3.14Å; A608-H611 PolarHBondContact O-N 3.14Å; A608-V612 WeakPolarHBondContact O-CG2 3.5Å; A608-V612 PolarHBondContact O-N 3.4Å
609	C	92	Very high	90.8	Very high	14 Å²	14	20 Å²	20	10%	0.095	10%	0.103	C	C	.	.	H	α-helix	trans	-62.7	-42.7	177	-73.7	0	0	0	0	112.6	V507 V511 L605 L606 S607 V612	V507-C609 HydrophobicContact CG1-CB 3.63Å; V511-C609 HydrophobicContact CG2-CB 4.19Å; V511-C609 VanDerWaalsContact CG2-O 3.24Å; V511-C609 WeakPolarHBondContact CG2-O 3.13Å; L605-C609 WeakPolarHBondContact O-CB 3.41Å; L605-C609 PolarHBondContact O-N 2.84Å; L605-C609 PolarHBondContact O-SG 3.41Å; L606-C609 WeakPolarHBondContact O-CB 3.19Å; L606-C609 PolarHBondContact O-N 3.08Å; S607-C609 VanDerWaalsContact C-N 3.32Å; S607-C609 PolarHBondContact O-N 3.44Å; C609-V612 PolarHBondContact O-N 3.25Å
610	Y	91.1	Very high	90.1	Very high	16 Å²	16	22.4 Å²	22.4	6%	0.063	11%	0.114	C	C	.	.	H	α-helix	trans	-59	-49.4	173.3	165.6	-113.2	0	0	0	111	L606 S607 V612 C613 P614 N618 F619 D622	L606-Y610 PolarHBondContact O-N 3.13Å; S607-Y610 PolarHBondContact O-N 3.28Å; Y610-V612 PolarHBondContact O-N 3.48Å; Y610-C613 CarbonylContact O-C 3.58Å; Y610-C613 PolarHBondContact O-N 3.35Å; Y610-C613 VanDerWaalsContact O-N 3.09Å; Y610-P614 HydrophobicContact CD2-CB 4.4Å; Y610-P614 HydrophobicContact CE1-CB 4.07Å; Y610-P614 HydrophobicContact CE2-CB 3.77Å; Y610-P614 WeakPolarHBondContact O-CA 3.49Å; Y610-N618 HydrophobicContact CD2-CB 3.98Å; Y610-N618 WeakPolarHBondContact CD2-O 3.36Å; Y610-F619 HydrophobicContact CE1-CD2 4.13Å; Y610-F619 HydrophobicContact CE2-CB 4.02Å; Y610-F619 HydrophobicContact CE2-CD2 4.02Å; Y610-F619 AromaticContact CZ-CD2 3.65Å; Y610-D622 HydrophobicContact CD1-CB 3.83Å; Y610-D622 HydrophobicContact CG-CB 4.01Å
611	H	90.6	Very high	89.4	Confident	13 Å²	13	23.5 Å²	23.5	6%	0.06	12%	0.118	C	C	.	.	H	α-helix	trans	-72.6	-7.8	-177.5	-75.4	-66.2	0	0	0	115.4	N545 S607 A608 H839 H843	N545-H611 HydrophobicContact CB-CB 3.66Å; N545-H611 PolarHBondContact ND2-O 3.04Å; N545-H611 VanDerWaalsContact ND2-O 3.08Å; S607-H611 PolarHBondContact O-CD2 3.39Å; S607-H611 VanDerWaalsContact O-CD2 3.28Å; S607-H611 PolarHBondContact O-N 3.38Å; A608-H611 PolarHBondContact O-N 3.14Å; H611-H839 AromaticContact CE1-CD2 3.66Å; H611-H839 AromaticContact CE1-CE1 3.82Å; H611-H839 AromaticContact CE1-NE2 3.04Å; H611-H839 PolarHBondContact CE1-NE2 2.97Å; H611-H839 AromaticContact NE2-CD2 3.85Å; H611-H839 AromaticContact NE2-CE1 4Å; H611-H839 AromaticContact NE2-NE2 3.05Å; H611-H839 PolarHBondContact NE2-NE2 2.98Å; H611-H843 AromaticContact CD2-NE2 3.68Å; H611-H843 AromaticContact NE2-NE2 3.4Å; H611-H843 PolarHBondContact NE2-NE2 3.26Å
612	V	90.5	Very high	88.6	Confident	7 Å²	7	21.4 Å²	21.4	4%	0.042	11%	0.108	C	C	.	.	H	α-helix	trans	-70.6	-29.2	166.5	167.4	0	0	0	0	112.3	V511 Y529 L540 I546 A608 C609 Y610	V511-V612 HydrophobicContact CG1-CB 3.68Å; V511-V612 HydrophobicContact CG1-CG1 3.42Å; V511-V612 VanDerWaalsContact CG1-CG1 3.42Å; Y529-V612 WeakPolarHBondContact CE1-O 3.43Å; Y529-V612 PolarHBondContact OH-O 3.02Å; L540-V612 HydrophobicContact CD2-CG1 3.75Å; L540-V612 HydrophobicContact CD2-CG2 4.19Å; I546-V612 HydrophobicContact CD1-CG2 3.55Å; I546-V612 HydrophobicContact CG1-CG2 3.63Å; A608-V612 WeakPolarHBondContact O-CG2 3.5Å; A608-V612 PolarHBondContact O-N 3.4Å; C609-V612 PolarHBondContact O-N 3.25Å; Y610-V612 PolarHBondContact O-N 3.48Å
613	C	91	Very high	88.3	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	-154	87.2	165.5	173.2	0	0	0	0	109.4	C527 Y610 N615 N618	C527-C613 HydrophobicContact CB-CB 3.98Å; C527-C613 WeakPolarHBondContact CB-SG 3.46Å; C527-C613 WeakPolarHBondContact SG-CB 3.44Å; C527-C613 CovalentContact SG-SG 2.04Å; C527-C613 PolarHBondContact SG-SG 3.41Å; Y610-C613 CarbonylContact O-C 3.58Å; Y610-C613 PolarHBondContact O-N 3.35Å; Y610-C613 VanDerWaalsContact O-N 3.09Å; C613-N615 PolarHBondContact O-N 3.31Å; C613-N618 PolarHBondContact O-ND2 3.46Å
614	P	90.9	Very high	88	Confident	4 Å²	4	20.2 Å²	20.2	3%	0.026	10%	0.103	C	C	.	.			trans	-72.5	121.3	-177.3	28.1	-33.2	0	0	0	109.7	Y528 Y529 Y610	Y528-P614 PolarHBondContact N-O 3.41Å; Y528-P614 WeakPolarHBondContact O-CG 3.27Å; Y529-P614 HydrophobicContact CD1-CG 4.13Å; Y529-P614 VanDerWaalsContact CE1-CD 3.46Å; Y529-P614 HydrophobicContact CE1-CG 4.36Å; Y610-P614 HydrophobicContact CD2-CB 4.4Å; Y610-P614 HydrophobicContact CE1-CB 4.07Å; Y610-P614 HydrophobicContact CE2-CB 3.77Å; Y610-P614 WeakPolarHBondContact O-CA 3.49Å
615	N	87.4	Confident	87.8	Confident	29 Å²	29	20.4 Å²	20.4	16%	0.155	10%	0.103	C	C	.	.			trans	-152.3	154.9	179.1	-170	-0.2	0	0	0	108.9	I526 C613 T617 N618 F619	I526-N615 PolarHBondContact O-ND2 3.13Å; C613-N615 PolarHBondContact O-N 3.31Å; N615-T617 PolarHBondContact O-N 2.97Å; N615-T617 VanDerWaalsContact O-N 3.16Å; N615-N618 PolarHBondContact O-N 3.3Å; N615-F619 PolarHBondContact O-N 3.13Å; N615-F619 VanDerWaalsContact O-N 3.12Å
616	Y	82.6	Confident	87.8	Confident	82 Å²	82	18.9 Å²	18.9	32%	0.322	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-40.2	177.4	166	-101.9	0	0	0	113.6	N618 V667 W816	Y616-N618 VanDerWaalsContact C-N 3.25Å; Y616-N618 PolarHBondContact O-N 2.84Å; Y616-V667 HydrophobicContact CD2-CG1 4.4Å; Y616-V667 HydrophobicContact CE2-CG1 3.55Å; Y616-V667 PolarHBondContact OH-O 2.74Å; Y616-W816 AromaticContact CD2-CE3 3.73Å; Y616-W816 HydrophobicContact CD2-CE3 3.73Å; Y616-W816 HydrophobicContact CD2-CH2 4.23Å; Y616-W816 AromaticContact CD2-CZ3 3.58Å; Y616-W816 HydrophobicContact CD2-CZ3 3.58Å; Y616-W816 HydrophobicContact CE2-CZ3 4.22Å; Y616-W816 HydrophobicContact CG-CE3 4.37Å
617	T	80.4	Confident	87.7	Confident	71 Å²	71	19 Å²	19	44%	0.436	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-24.4	177.9	53.6	0	0	0	0	114.1	Y514 N615	Y514-T617 PolarHBondContact OH-OG1 3.07Å; N615-T617 PolarHBondContact O-N 2.97Å; N615-T617 VanDerWaalsContact O-N 3.16Å
618	N	83.1	Confident	87.7	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-12.1	-170.8	-57.1	-8.9	0	0	0	111.8	Y514 Y610 C613 N615 Y616 Q620 F621	Y514-N618 WeakPolarHBondContact CE2-OD1 3.5Å; Y610-N618 HydrophobicContact CD2-CB 3.98Å; Y610-N618 WeakPolarHBondContact CD2-O 3.36Å; C613-N618 PolarHBondContact O-ND2 3.46Å; N615-N618 PolarHBondContact O-N 3.3Å; Y616-N618 VanDerWaalsContact C-N 3.25Å; Y616-N618 PolarHBondContact O-N 2.84Å; N618-Q620 PolarHBondContact O-N 2.82Å; N618-Q620 VanDerWaalsContact O-N 3.12Å; N618-F621 HydrophobicContact CB-CD2 3.89Å; N618-F621 HydrophobicContact CB-CE2 3.65Å; N618-F621 HydrophobicContact CB-CZ 4.47Å; N618-F621 WeakPolarHBondContact O-CB 3.39Å; N618-F621 WeakPolarHBondContact O-CD2 3.29Å; N618-F621 WeakPolarHBondContact O-CG 3.45Å; N618-F621 PolarHBondContact O-N 2.94Å
619	F	80.7	Confident	87.8	Confident	19 Å²	19	19.1 Å²	19.1	8%	0.083	10%	0.095	C	C	.	.	H	α-helix	trans	-62.1	-20.4	-174.6	-175.7	-117.5	0	0	0	114.4	Y610 N615 F621 T623 D756 A758 W816	Y610-F619 HydrophobicContact CE1-CD2 4.13Å; Y610-F619 HydrophobicContact CE2-CB 4.02Å; Y610-F619 HydrophobicContact CE2-CD2 4.02Å; Y610-F619 AromaticContact CZ-CD2 3.65Å; N615-F619 PolarHBondContact O-N 3.13Å; N615-F619 VanDerWaalsContact O-N 3.12Å; F619-F621 VanDerWaalsContact C-N 3.26Å; F619-F621 PolarHBondContact O-N 3.48Å; F619-T623 HydrophobicContact CD1-CG2 4.48Å; F619-T623 HydrophobicContact CE1-CG2 3.83Å; F619-T623 HydrophobicContact CE2-CG2 4.22Å; F619-T623 HydrophobicContact CZ-CG2 3.69Å; F619-T623 PolarHBondContact O-N 3.23Å; F619-T623 PolarHBondContact O-OG1 2.92Å; F619-T623 VanDerWaalsContact O-OG1 3.09Å; F619-D756 WeakPolarHBondContact CE1-OD1 3.41Å; F619-D756 WeakPolarHBondContact CE1-OD2 3.45Å; F619-D756 WeakPolarHBondContact CZ-OD2 3.24Å; F619-A758 HydrophobicContact CD1-CB 4.4Å; F619-A758 HydrophobicContact CE1-CB 4Å; F619-W816 AromaticContact CD1-CZ2 3.61Å; F619-W816 HydrophobicContact CD1-CZ2 3.61Å; F619-W816 AromaticContact CD2-NE1 3.6Å; F619-W816 AromaticContact CE1-CZ2 3.82Å; F619-W816 HydrophobicContact CE1-CZ2 3.82Å; F619-W816 HydrophobicContact CG-CZ2 4.08Å; F619-W816 AromaticContact CG-NE1 3.59Å; F619-W816 HydrophobicContact CZ-CZ2 4.45Å
620	Q	79.5	Confident	87.9	Confident	50 Å²	50	18.8 Å²	18.8	23%	0.234	9%	0.093	C	C	.	.	H	α-helix	trans	-67.9	-26.4	174	-164.2	177	23.7	0	0	112.8	Y503 N618 D622 T623 S624 I660	Y503-Q620 PolarHBondContact OH-O 3.38Å; N618-Q620 PolarHBondContact O-N 2.82Å; N618-Q620 VanDerWaalsContact O-N 3.12Å; Q620-D622 VanDerWaalsContact C-N 3.34Å; Q620-D622 PolarHBondContact O-N 2.77Å; Q620-T623 WeakPolarHBondContact CA-OG1 3.5Å; Q620-S624 WeakPolarHBondContact O-CB 3.35Å; Q620-S624 PolarHBondContact O-N 3.38Å; Q620-S624 PolarHBondContact O-OG 2.84Å; Q620-I660 PolarHBondContact NE2-O 3.25Å
621	F	82.4	Confident	88	Confident	23 Å²	23	18.8 Å²	18.8	10%	0.101	10%	0.097	C	C	.	.	H	α-helix	trans	-64	-44.5	-175.4	-50.8	-26.9	0	0	0	110.9	Y503 V507 L510 L606 N618 F619 S624	Y503-F621 HydrophobicContact CE1-CD1 4.38Å; V507-F621 HydrophobicContact CB-CD2 4.34Å; V507-F621 HydrophobicContact CB-CG 4.39Å; V507-F621 HydrophobicContact CG1-CB 4.18Å; V507-F621 HydrophobicContact CG1-CD2 3.61Å; V507-F621 HydrophobicContact CG1-CE2 4.13Å; V507-F621 HydrophobicContact CG1-CG 3.86Å; V507-F621 HydrophobicContact CG2-CB 4.25Å; V507-F621 HydrophobicContact CG2-CD1 3.45Å; V507-F621 VanDerWaalsContact CG2-CD1 3.45Å; V507-F621 HydrophobicContact CG2-CD2 3.95Å; V507-F621 HydrophobicContact CG2-CE1 3.72Å; V507-F621 HydrophobicContact CG2-CE2 4.16Å; V507-F621 HydrophobicContact CG2-CG 3.61Å; V507-F621 HydrophobicContact CG2-CZ 4.07Å; L510-F621 HydrophobicContact CD2-CE2 4.02Å; L510-F621 HydrophobicContact CD2-CZ 3.68Å; L606-F621 WeakPolarHBondContact CB-O 3.3Å; N618-F621 HydrophobicContact CB-CD2 3.89Å; N618-F621 HydrophobicContact CB-CE2 3.65Å; N618-F621 HydrophobicContact CB-CZ 4.47Å; N618-F621 WeakPolarHBondContact O-CB 3.39Å; N618-F621 WeakPolarHBondContact O-CD2 3.29Å; N618-F621 WeakPolarHBondContact O-CG 3.45Å; N618-F621 PolarHBondContact O-N 2.94Å; F619-F621 VanDerWaalsContact C-N 3.26Å; F619-F621 PolarHBondContact O-N 3.48Å; F621-S624 PolarHBondContact O-OG 2.83Å
622	D	80.6	Confident	88.1	Confident	9 Å²	9	18.1 Å²	18.1	5%	0.048	9%	0.094	C	C	.	.	H	α-helix	trans	-59.6	-63.6	172.6	-162	43.9	0	0	0	110.8	S607 Y610 Q620 S624 H843	S607-D622 WeakPolarHBondContact CA-OD1 3.35Å; S607-D622 WeakPolarHBondContact CB-OD1 3.23Å; S607-D622 PolarHBondContact OG-OD1 2.97Å; Y610-D622 HydrophobicContact CD1-CB 3.83Å; Y610-D622 HydrophobicContact CG-CB 4.01Å; Q620-D622 VanDerWaalsContact C-N 3.34Å; Q620-D622 PolarHBondContact O-N 2.77Å; D622-S624 VanDerWaalsContact C-N 3.27Å; D622-S624 PolarHBondContact O-N 2.8Å; D622-S624 VanDerWaalsContact O-N 3.13Å; D622-H843 IonicContact OD1-NE2 3.31Å
623	T	87.4	Confident	88.3	Confident	2 Å²	2	18.2 Å²	18.2	1%	0.012	10%	0.095	C	C	.	.	H	α-helix	trans	-65.8	-20.1	-174.5	51.2	0	0	0	0	115.6	F619 Q620 M626 Y627 A758	F619-T623 HydrophobicContact CD1-CG2 4.48Å; F619-T623 HydrophobicContact CE1-CG2 3.83Å; F619-T623 HydrophobicContact CE2-CG2 4.22Å; F619-T623 HydrophobicContact CZ-CG2 3.69Å; F619-T623 PolarHBondContact O-N 3.23Å; F619-T623 PolarHBondContact O-OG1 2.92Å; F619-T623 VanDerWaalsContact O-OG1 3.09Å; Q620-T623 WeakPolarHBondContact CA-OG1 3.5Å; T623-M626 HydrophobicContact CG2-SD 4.33Å; T623-M626 WeakPolarHBondContact O-CB 3.47Å; T623-Y627 WeakPolarHBondContact O-CD2 2.95Å; T623-Y627 PolarHBondContact O-N 2.9Å; T623-A758 HydrophobicContact CG2-CB 4.23Å
624	S	89.4	Confident	88.3	Confident	3 Å²	3	21 Å²	21	2%	0.021	11%	0.109	C	C	.	.	H	α-helix	trans	-63.8	-45.9	-175.1	64.6	0	0	0	0	114	Y503 Q620 F621 D622 M628	Y503-S624 WeakPolarHBondContact CE1-OG 3.44Å; Y503-S624 PolarHBondContact OH-OG 2.78Å; Q620-S624 WeakPolarHBondContact O-CB 3.35Å; Q620-S624 PolarHBondContact O-N 3.38Å; Q620-S624 PolarHBondContact O-OG 2.84Å; F621-S624 PolarHBondContact O-OG 2.83Å; D622-S624 VanDerWaalsContact C-N 3.27Å; D622-S624 PolarHBondContact O-N 2.8Å; D622-S624 VanDerWaalsContact O-N 3.13Å; S624-M628 WeakPolarHBondContact O-CG 3.27Å; S624-M628 PolarHBondContact O-N 3.44Å
625	F	91.4	Very high	88.2	Confident	4 Å²	4	22.8 Å²	22.8	2%	0.018	12%	0.118	C	C	.	.	H	α-helix	trans	-81.4	-24.6	-178.4	-92	-106.3	0	0	0	112.2	I496 I499 A500 Y503 A599 M602 E603 L606 Y627 M628 I629	I496-F625 HydrophobicContact CD1-CE1 3.76Å; I496-F625 HydrophobicContact CD1-CZ 4.13Å; I496-F625 HydrophobicContact CG1-CE1 4.23Å; I499-F625 HydrophobicContact CG2-CZ 4.47Å; A500-F625 HydrophobicContact CB-CZ 4.3Å; Y503-F625 HydrophobicContact CD1-CE2 4.16Å; A599-F625 HydrophobicContact CB-CD1 4.06Å; A599-F625 HydrophobicContact CB-CE1 4.4Å; M602-F625 HydrophobicContact CB-CD1 3.54Å; M602-F625 HydrophobicContact CB-CE1 3.43Å; M602-F625 VanDerWaalsContact CB-CE1 3.43Å; M602-F625 HydrophobicContact CB-CG 4.15Å; M602-F625 HydrophobicContact CB-CZ 3.95Å; M602-F625 HydrophobicContact CG-CE1 3.92Å; M602-F625 HydrophobicContact CG-CZ 4.21Å; E603-F625 HydrophobicContact CB-CB 4.42Å; E603-F625 WeakPolarHBondContact OE2-CA 3.11Å; E603-F625 WeakPolarHBondContact OE2-CB 3.24Å; L606-F625 HydrophobicContact CD1-CD2 3.24Å; L606-F625 HydrophobicContact CD1-CE2 3.55Å; L606-F625 HydrophobicContact CD1-CG 3.95Å; L606-F625 HydrophobicContact CD1-CZ 4.46Å; F625-Y627 VanDerWaalsContact C-N 3.32Å; F625-Y627 PolarHBondContact O-N 3.13Å; F625-M628 PolarHBondContact O-N 3.13Å; F625-M628 VanDerWaalsContact O-N 3.1Å; F625-I629 VanDerWaalsContact O-CG1 3.29Å; F625-I629 WeakPolarHBondContact O-CG1 3.29Å; F625-I629 PolarHBondContact O-N 2.8Å
626	M	93.2	Very high	88.3	Confident	40 Å²	40	21.9 Å²	21.9	20%	0.197	11%	0.112	C	C	.	.	H	α-helix	trans	-52.8	-47.5	165.7	-57.3	-179	113.7	0	0	111.9	E603 T623 I629 A630 L762 W842	E603-M626 WeakPolarHBondContact OE1-CG 3.49Å; E603-M626 PolarHBondContact OE2-N 3.22Å; T623-M626 HydrophobicContact CG2-SD 4.33Å; T623-M626 WeakPolarHBondContact O-CB 3.47Å; M626-I629 PolarHBondContact O-N 2.85Å; M626-A630 WeakPolarHBondContact O-CB 3.14Å; M626-A630 PolarHBondContact O-N 2.91Å; M626-L762 HydrophobicContact CB-CD1 3.69Å; M626-L762 HydrophobicContact CB-CD2 4.16Å; M626-L762 HydrophobicContact CE-CD2 3.91Å; M626-L762 HydrophobicContact CG-CD2 4.41Å; M626-L762 HydrophobicContact SD-CD2 3.39Å; M626-L762 WeakPolarHBondContact SD-CD2 3.25Å; M626-W842 HydrophobicContact CE-CH2 4.43Å; M626-W842 HydrophobicContact CE-CZ2 4.48Å
627	Y	92.8	Very high	88.7	Confident	5 Å²	5	18 Å²	18	2%	0.02	10%	0.097	C	C	.	.	H	α-helix	trans	-62	-44.4	175.2	-58.3	-49.9	0	0	0	112.2	T623 F625 I629 A630 G631 I660 S663 A758 L761 L762	T623-Y627 WeakPolarHBondContact O-CD2 2.95Å; T623-Y627 PolarHBondContact O-N 2.9Å; F625-Y627 VanDerWaalsContact C-N 3.32Å; F625-Y627 PolarHBondContact O-N 3.13Å; Y627-I629 VanDerWaalsContact C-N 3.34Å; Y627-I629 PolarHBondContact O-N 3.18Å; Y627-A630 PolarHBondContact O-N 3.46Å; Y627-G631 PolarHBondContact O-N 3.08Å; Y627-I660 HydrophobicContact CD2-CG1 4Å; Y627-S663 PolarHBondContact OH-OG 2.9Å; Y627-A758 VanDerWaalsContact OH-CA 3.26Å; Y627-A758 WeakPolarHBondContact OH-CA 2.91Å; Y627-A758 WeakPolarHBondContact OH-CB 3.43Å; Y627-A758 PolarHBondContact OH-O 3.48Å; Y627-A758 VanDerWaalsContact OH-O 3.08Å; Y627-L761 HydrophobicContact CE1-CB 4.18Å; Y627-L761 HydrophobicContact CE1-CD2 4.23Å; Y627-L761 HydrophobicContact CE1-CG 3.94Å; Y627-L762 HydrophobicContact CD1-CB 4.47Å; Y627-L762 HydrophobicContact CD1-CD1 4.14Å; Y627-L762 HydrophobicContact CE1-CB 3.9Å; Y627-L762 HydrophobicContact CE1-CD1 4.4Å
628	M	92.6	Very high	88.9	Confident	7 Å²	7	16.3 Å²	16.3	3%	0.034	8%	0.083	C	C	.	.	H	α-helix	trans	-62.8	-42	-179.5	-63.3	-70.3	-75.9	0	0	110.9	I496 I499 S624 F625 L632 Y653 L656 I660	I496-M628 HydrophobicContact CD1-CE 3.43Å; I496-M628 VanDerWaalsContact CD1-CE 3.43Å; I499-M628 HydrophobicContact CD1-CE 4.24Å; S624-M628 WeakPolarHBondContact O-CG 3.27Å; S624-M628 PolarHBondContact O-N 3.44Å; F625-M628 PolarHBondContact O-N 3.13Å; F625-M628 VanDerWaalsContact O-N 3.1Å; M628-L632 WeakPolarHBondContact O-CB 3.49Å; M628-L632 WeakPolarHBondContact O-CG 3.46Å; M628-L632 PolarHBondContact O-N 3.2Å; M628-Y653 HydrophobicContact CE-CD1 3.6Å; M628-Y653 HydrophobicContact CE-CE1 3.74Å; M628-L656 HydrophobicContact CE-CD1 4.43Å; M628-L656 HydrophobicContact SD-CB 3.72Å; M628-L656 HydrophobicContact SD-CD1 3.91Å; M628-L656 HydrophobicContact SD-CG 4.34Å; M628-I660 HydrophobicContact CG-CD1 4.33Å; M628-I660 HydrophobicContact SD-CD1 3.97Å
629	I	94.9	Very high	89	Confident	4 Å²	4	16.5 Å²	16.5	2%	0.021	8%	0.084	C	C	.	.	H	α-helix	trans	-67.5	-46.4	176.8	-65	163.2	0	0	0	110.9	A599 L600 E603 F625 M626 Y627 G631 L632 C633 M850 F854	A599-I629 HydrophobicContact CB-CD1 4.4Å; A599-I629 HydrophobicContact CB-CG1 3.63Å; L600-I629 HydrophobicContact CD1-CD1 4.23Å; E603-I629 HydrophobicContact CB-CD1 3.96Å; E603-I629 HydrophobicContact CG-CD1 4.2Å; F625-I629 VanDerWaalsContact O-CG1 3.29Å; F625-I629 WeakPolarHBondContact O-CG1 3.29Å; F625-I629 PolarHBondContact O-N 2.8Å; M626-I629 PolarHBondContact O-N 2.85Å; Y627-I629 VanDerWaalsContact C-N 3.34Å; Y627-I629 PolarHBondContact O-N 3.18Å; I629-G631 VanDerWaalsContact C-N 3.31Å; I629-G631 PolarHBondContact O-N 2.94Å; I629-L632 PolarHBondContact O-N 2.58Å; I629-C633 WeakPolarHBondContact O-CB 3.38Å; I629-C633 PolarHBondContact O-N 2.85Å; I629-C633 PolarHBondContact O-SG 3.39Å; I629-M850 HydrophobicContact CB-CE 4.41Å; I629-M850 HydrophobicContact CD1-CE 4.47Å; I629-M850 HydrophobicContact CG2-CE 3.37Å; I629-F854 HydrophobicContact CG2-CE1 3.69Å; I629-F854 HydrophobicContact CG2-CZ 3.59Å
630	A	94.2	Very high	89.2	Confident	7 Å²	7	16 Å²	16	6%	0.058	8%	0.082	C	C	.	.	H	α-helix	trans	-59.3	-43.5	177.7	0	0	0	0	0	111.6	M626 Y627 C633 M634 A765 L769	M626-A630 WeakPolarHBondContact O-CB 3.14Å; M626-A630 PolarHBondContact O-N 2.91Å; Y627-A630 PolarHBondContact O-N 3.46Å; A630-C633 PolarHBondContact O-N 3.08Å; A630-M634 WeakPolarHBondContact O-CB 3.47Å; A630-M634 PolarHBondContact O-N 3.33Å; A630-A765 HydrophobicContact CB-CB 4.19Å; A630-L769 HydrophobicContact CB-CD2 4.47Å
631	G	92.2	Very high	89.5	Confident	15 Å²	15	13.7 Å²	13.7	16%	0.155	7%	0.071	C	C	.	.	H	α-helix	trans	-62.3	-48.3	173.9	0	0	0	0	0	113.3	Y627 I629 C633 M634 L635	Y627-G631 PolarHBondContact O-N 3.08Å; I629-G631 VanDerWaalsContact C-N 3.31Å; I629-G631 PolarHBondContact O-N 2.94Å; G631-C633 VanDerWaalsContact C-N 3.32Å; G631-C633 PolarHBondContact O-N 3.15Å; G631-M634 PolarHBondContact O-N 3.43Å; G631-L635 WeakPolarHBondContact O-CB 3.35Å; G631-L635 VanDerWaalsContact O-CG 3.3Å; G631-L635 WeakPolarHBondContact O-CG 3.37Å; G631-L635 PolarHBondContact O-N 3.14Å
632	L	92.8	Very high	89.4	Confident	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62.9	-36	176.5	-73.5	168.8	0	0	0	112.1	Y492 V592 A595 M596 A599 M628 I629 K636 Y653	Y492-L632 HydrophobicContact CD1-CD2 4.24Å; V592-L632 HydrophobicContact CG1-CD2 4.32Å; A595-L632 HydrophobicContact CB-CD1 4.32Å; A595-L632 HydrophobicContact CB-CD2 4.39Å; M596-L632 HydrophobicContact CG-CB 3.82Å; A599-L632 HydrophobicContact CB-CD1 4.17Å; M628-L632 WeakPolarHBondContact O-CB 3.49Å; M628-L632 WeakPolarHBondContact O-CG 3.46Å; M628-L632 PolarHBondContact O-N 3.2Å; I629-L632 PolarHBondContact O-N 2.58Å; L632-K636 WeakPolarHBondContact O-CB 3.46Å; L632-K636 PolarHBondContact O-N 3.29Å; L632-Y653 HydrophobicContact CD2-CE1 4.31Å
633	C	94.3	Very high	89.1	Confident	8 Å²	8	12.3 Å²	12.3	5%	0.054	7%	0.065	C	C	.	.	H	α-helix	trans	-66.9	-44.1	174	-67.5	0	0	0	0	112.2	I629 A630 G631 K636 L637 L769 L857	I629-C633 WeakPolarHBondContact O-CB 3.38Å; I629-C633 PolarHBondContact O-N 2.85Å; I629-C633 PolarHBondContact O-SG 3.39Å; A630-C633 PolarHBondContact O-N 3.08Å; G631-C633 VanDerWaalsContact C-N 3.32Å; G631-C633 PolarHBondContact O-N 3.15Å; C633-K636 PolarHBondContact O-N 3.44Å; C633-L637 PolarHBondContact O-N 3.43Å; C633-L769 HydrophobicContact CB-CD1 3.73Å; C633-L769 HydrophobicContact CB-CD2 3.82Å; C633-L769 HydrophobicContact CB-CG 4.46Å; C633-L857 HydrophobicContact CB-CD1 4.17Å
634	M	90.8	Very high	88.1	Confident	59 Å²	59	13.2 Å²	13.2	29%	0.291	7%	0.069	S	C	.	.	H	α-helix	trans	-65	-46	178.3	-172.6	-177.6	-66.2	0	0	111.3	A630 G631 K636 L637 Y638 N768 L769 Y772	A630-M634 WeakPolarHBondContact O-CB 3.47Å; A630-M634 PolarHBondContact O-N 3.33Å; G631-M634 PolarHBondContact O-N 3.43Å; M634-K636 VanDerWaalsContact C-N 3.33Å; M634-K636 PolarHBondContact O-N 2.8Å; M634-L637 PolarHBondContact O-N 2.91Å; M634-Y638 PolarHBondContact O-N 2.72Å; M634-N768 HydrophobicContact CE-CB 3.65Å; M634-L769 HydrophobicContact CB-CD1 4.16Å; M634-L769 HydrophobicContact CE-CB 4.43Å; M634-Y772 HydrophobicContact CG-CD1 4.33Å
635	L	89.3	Confident	87.1	Confident	42 Å²	42	16.1 Å²	16.1	22%	0.22	8%	0.084	C	C	.	.	H	α-helix	trans	-54.8	-50.1	170	-74.1	166.9	0	0	0	110.1	G631 L637 Y638 Q639 A652	G631-L635 WeakPolarHBondContact O-CB 3.35Å; G631-L635 VanDerWaalsContact O-CG 3.3Å; G631-L635 WeakPolarHBondContact O-CG 3.37Å; G631-L635 PolarHBondContact O-N 3.14Å; L635-L637 VanDerWaalsContact C-N 3.34Å; L635-L637 PolarHBondContact O-N 3.48Å; L635-Y638 WeakPolarHBondContact O-CA 3.29Å; L635-Y638 WeakPolarHBondContact O-CB 3.44Å; L635-Y638 PolarHBondContact O-N 2.89Å; L635-Q639 VanDerWaalsContact O-CG 3.3Å; L635-Q639 WeakPolarHBondContact O-CG 3.38Å; L635-Q639 PolarHBondContact O-N 3.25Å; L635-A652 HydrophobicContact CD1-CB 3.94Å
636	K	90.4	Very high	86	Confident	9 Å²	9	17.3 Å²	17.3	4%	0.039	9%	0.091	C	C	.	.	H	α-helix	trans	-65	-34	-175.8	-166.6	48.2	163.8	177.1	0	113.6	H589 V592 Y593 M596 L632 C633 M634 Q639	H589-K636 PolarHBondContact O-NZ 2.66Å; V592-K636 HydrophobicContact CB-CD 4.15Å; V592-K636 HydrophobicContact CG1-CB 4.03Å; V592-K636 HydrophobicContact CG1-CD 3.99Å; V592-K636 HydrophobicContact CG1-CG 4.28Å; Y593-K636 HydrophobicContact CD1-CG 4.17Å; Y593-K636 HydrophobicContact CE1-CD 4.23Å; Y593-K636 HydrophobicContact CE1-CG 3.63Å; M596-K636 HydrophobicContact SD-CB 4.02Å; M596-K636 HydrophobicContact SD-CG 4.07Å; L632-K636 WeakPolarHBondContact O-CB 3.46Å; L632-K636 PolarHBondContact O-N 3.29Å; C633-K636 PolarHBondContact O-N 3.44Å; M634-K636 VanDerWaalsContact C-N 3.33Å; M634-K636 PolarHBondContact O-N 2.8Å; K636-Q639 HydrophobicContact CD-CB 4.24Å; K636-Q639 HydrophobicContact CD-CG 4.38Å; K636-Q639 VanDerWaalsContact CD-OE1 3.26Å
637	L	89.9	Confident	84.9	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.2	-43.9	169.9	-81.6	165.6	0	0	0	111.6	C633 M634 L635 K640 L769 Y772 F773 Y776 L857	C633-L637 PolarHBondContact O-N 3.43Å; M634-L637 PolarHBondContact O-N 2.91Å; L635-L637 VanDerWaalsContact C-N 3.34Å; L635-L637 PolarHBondContact O-N 3.48Å; L637-K640 WeakPolarHBondContact O-CB 3.48Å; L637-K640 PolarHBondContact O-N 3.18Å; L637-L769 HydrophobicContact CD1-CD1 3.78Å; L637-Y772 HydrophobicContact CB-CD1 3.77Å; L637-Y772 HydrophobicContact CB-CE1 3.53Å; L637-Y772 HydrophobicContact CD1-CD1 4.12Å; L637-F773 HydrophobicContact CD1-CB 4.03Å; L637-F773 HydrophobicContact CD1-CD2 4.27Å; L637-F773 HydrophobicContact CD2-CD2 4.15Å; L637-Y776 HydrophobicContact CD2-CD2 4.14Å; L637-Y776 HydrophobicContact CD2-CG 4.12Å; L637-L857 HydrophobicContact CD1-CD2 4.29Å; L637-L857 HydrophobicContact CD2-CD2 3.52Å; L637-L857 HydrophobicContact CG-CD2 3.7Å
638	Y	85.8	Confident	84.2	Confident	36 Å²	36	18.5 Å²	18.5	14%	0.141	11%	0.106	C	C	.	.	H	α-helix	trans	-66.2	-42	178.6	-175.3	-93	0	0	0	112.6	M634 L635 K640 R641 H642 I645 L695 M698 Y772	M634-Y638 PolarHBondContact O-N 2.72Å; L635-Y638 WeakPolarHBondContact O-CA 3.29Å; L635-Y638 WeakPolarHBondContact O-CB 3.44Å; L635-Y638 PolarHBondContact O-N 2.89Å; Y638-K640 PolarHBondContact O-N 3.2Å; Y638-K640 VanDerWaalsContact O-N 3.11Å; Y638-R641 PolarHBondContact O-N 3.06Å; Y638-H642 HydrophobicContact CD1-CB 4.12Å; Y638-H642 AromaticContact CD2-ND1 3.7Å; Y638-H642 HydrophobicContact CE1-CB 3.68Å; Y638-H642 AromaticContact CE1-CG 3.96Å; Y638-H642 AromaticContact CE2-CE1 4Å; Y638-H642 AromaticContact CE2-ND1 3.57Å; Y638-H642 AromaticContact CZ-CG 3.77Å; Y638-H642 AromaticContact CZ-ND1 3.77Å; Y638-H642 PolarHBondContact O-N 3.43Å; Y638-H642 PolarHBondContact O-ND1 3.41Å; Y638-H642 VanDerWaalsContact O-ND1 3.09Å; Y638-I645 WeakPolarHBondContact CE1-O 3.35Å; Y638-L695 HydrophobicContact CD2-CD2 3.93Å; Y638-L695 HydrophobicContact CE2-CD2 3.61Å; Y638-M698 HydrophobicContact CE2-SD 4.49Å; Y638-Y772 WeakPolarHBondContact CA-OH 3.48Å
639	Q	84.2	Confident	83.7	Confident	5 Å²	5	18.2 Å²	18.2	2%	0.023	11%	0.105	C	C	.	.	H	α-helix	trans	-54.9	-31	177.2	-62.4	-158.6	-35.3	0	0	113.4	L635 K636 R641 H642 N646	L635-Q639 VanDerWaalsContact O-CG 3.3Å; L635-Q639 WeakPolarHBondContact O-CG 3.38Å; L635-Q639 PolarHBondContact O-N 3.25Å; K636-Q639 HydrophobicContact CD-CB 4.24Å; K636-Q639 HydrophobicContact CD-CG 4.38Å; K636-Q639 VanDerWaalsContact CD-OE1 3.26Å; Q639-R641 VanDerWaalsContact C-N 3.27Å; Q639-R641 PolarHBondContact O-N 3.33Å; Q639-H642 CarbonylContact O-C 3.5Å; Q639-H642 PolarHBondContact O-N 3.43Å; Q639-N646 WeakPolarHBondContact CG-OD1 3.44Å
640	K	86.1	Confident	83.3	Confident	9 Å²	9	24 Å²	24	4%	0.039	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-32	-175	-74.6	177.1	168.1	-149.6	0	113.7	I586 L637 Y638 Y776 L857 D861	I586-K640 HydrophobicContact CD1-CB 4.42Å; I586-K640 WeakPolarHBondContact CD1-O 3.16Å; I586-K640 WeakPolarHBondContact CG2-O 3.41Å; L637-K640 WeakPolarHBondContact O-CB 3.48Å; L637-K640 PolarHBondContact O-N 3.18Å; Y638-K640 PolarHBondContact O-N 3.2Å; Y638-K640 VanDerWaalsContact O-N 3.11Å; K640-Y776 HydrophobicContact CB-CE2 3.86Å; K640-Y776 HydrophobicContact CD-CE1 4.34Å; K640-Y776 HydrophobicContact CD-CE2 3.86Å; K640-L857 WeakPolarHBondContact CE-O 3.34Å; K640-L857 PolarHBondContact NZ-O 3.39Å; K640-D861 WeakPolarHBondContact CD-OD2 3.35Å; K640-D861 WeakPolarHBondContact CE-OD2 3.31Å; K640-D861 IonicContact NZ-OD2 3.58Å; K640-D861 PolarHBondContact NZ-OD2 3.22Å
641	R	84.9	Confident	82.8	Confident	1 Å²	1	27.5 Å²	27.5	0%	0.004	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-11.6	179	-59.7	-65.3	165.7	147.7	-6.1	113	Y638 Q639 Y776 E785 D861 Y873 V874 F875	Y638-R641 PolarHBondContact O-N 3.06Å; Q639-R641 VanDerWaalsContact C-N 3.27Å; Q639-R641 PolarHBondContact O-N 3.33Å; R641-Y776 HydrophobicContact CG-CE2 3.91Å; R641-Y776 PolarHBondContact NE-OH 2.68Å; R641-Y776 PolarHBondContact NH2-OH 3.41Å; R641-E785 IonicContact CZ-OE1 2.86Å; R641-E785 IonicContact CZ-OE2 3.91Å; R641-E785 IonicContact NH1-OE1 3.17Å; R641-E785 PolarHBondContact NH1-OE1 2.91Å; R641-E785 IonicContact NH1-OE2 2.66Å; R641-E785 IonicContact NH2-OE1 2.65Å; R641-E785 PolarHBondContact NH2-OE1 3.03Å; R641-E785 IonicContact NH2-OE2 3.67Å; R641-E785 PolarHBondContact NH2-OE2 3.39Å; R641-D861 IonicContact NH2-OD1 3.23Å; R641-D861 PolarHBondContact NH2-OD1 3.12Å; R641-D861 VanDerWaalsContact NH2-OD1 3.15Å; R641-Y873 PolarHBondContact NH1-O 3.09Å; R641-V874 HydrophobicContact CB-CG1 4.33Å; R641-V874 WeakPolarHBondContact O-CG1 3.48Å; R641-V874 WeakPolarHBondContact O-CG2 3.34Å; R641-F875 HydrophobicContact CG-CD2 4.33Å; R641-F875 HydrophobicContact CG-CE2 4.05Å; R641-F875 HydrophobicContact CG-CZ 4.2Å; R641-F875 VanDerWaalsContact CZ-CE1 3.5Å
642	H	80.7	Confident	82.5	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.005	14%	0.144	C	C	.	.			trans	-128.6	70	-178.4	-48.3	95.3	0	0	0	110.5	Y638 Q639 D644 I645 N646 M698 V874	Y638-H642 HydrophobicContact CD1-CB 4.12Å; Y638-H642 AromaticContact CD2-ND1 3.7Å; Y638-H642 HydrophobicContact CE1-CB 3.68Å; Y638-H642 AromaticContact CE1-CG 3.96Å; Y638-H642 AromaticContact CE2-CE1 4Å; Y638-H642 AromaticContact CE2-ND1 3.57Å; Y638-H642 AromaticContact CZ-CG 3.77Å; Y638-H642 AromaticContact CZ-ND1 3.77Å; Y638-H642 PolarHBondContact O-N 3.43Å; Y638-H642 PolarHBondContact O-ND1 3.41Å; Y638-H642 VanDerWaalsContact O-ND1 3.09Å; Q639-H642 CarbonylContact O-C 3.5Å; Q639-H642 PolarHBondContact O-N 3.43Å; H642-D644 PolarHBondContact O-N 2.91Å; H642-I645 HydrophobicContact CB-CB 4.46Å; H642-N646 VanDerWaalsContact O-CG 3.31Å; H642-N646 PolarHBondContact O-ND2 3.16Å; H642-N646 PolarHBondContact O-OD1 2.85Å; H642-M698 WeakPolarHBondContact NE2-CE 3.18Å; H642-M698 PolarHBondContact NE2-SD 2.83Å; H642-M698 VanDerWaalsContact NE2-SD 3.43Å; H642-V874 WeakPolarHBondContact NE2-CG1 3.36Å
643	P	72.9	Confident	82.4	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.006	15%	0.147	C	C	.	.	S	Bend	trans	-64.8	-38.1	-173.9	6.4	-6.5	0	0	0	113.8	V474 L477 A478 Y489 P587 N646	V474-P643 HydrophobicContact CG1-CG 4.31Å; L477-P643 WeakPolarHBondContact O-CD 3.48Å; L477-P643 VanDerWaalsContact O-CG 3.32Å; L477-P643 WeakPolarHBondContact O-CG 3.2Å; A478-P643 HydrophobicContact CB-CG 4.14Å; Y489-P643 PolarHBondContact OH-O 2.85Å; P587-P643 HydrophobicContact CB-CB 4.2Å; P587-P643 HydrophobicContact CG-CB 4.13Å; P587-P643 HydrophobicContact CG-CG 3.92Å; P643-N646 PolarHBondContact O-ND2 3.07Å
644	D	68.1	Low	82.1	Confident	21 Å²	21	30.4 Å²	30.4	11%	0.112	17%	0.168	C	C	.	.	S	Bend	trans	-95.3	-17.5	-176.1	-67.5	-8.6	0	0	0	114.7	L477 A478 R479 K480 H642 N646	L477-D644 WeakPolarHBondContact O-CB 3.2Å; L477-D644 PolarHBondContact O-N 3.04Å; A478-D644 WeakPolarHBondContact CA-OD2 3.48Å; R479-D644 PolarHBondContact N-OD2 2.93Å; K480-D644 HydrophobicContact CD-CB 4.08Å; K480-D644 HydrophobicContact CG-CB 4.38Å; K480-D644 PolarHBondContact N-OD2 3.42Å; H642-D644 PolarHBondContact O-N 2.91Å; D644-N646 VanDerWaalsContact C-N 3.32Å; D644-N646 PolarHBondContact O-N 2.98Å
645	I	67.5	Low	82	Confident	64 Å²	64	31.5 Å²	31.5	33%	0.328	18%	0.181	S	C	.	.	S	Bend	trans	-95.1	43.1	-179.8	-36.7	179.4	0	0	0	111.5	L477 Y638 H642	L477-I645 HydrophobicContact CD1-CD1 3.92Å; L477-I645 HydrophobicContact CD1-CG1 4.46Å; L477-I645 HydrophobicContact CD2-CD1 3.81Å; L477-I645 HydrophobicContact CD2-CG1 4.22Å; Y638-I645 WeakPolarHBondContact CE1-O 3.35Å; H642-I645 HydrophobicContact CB-CB 4.46Å
646	N	68.3	Low	82	Confident	29 Å²	29	30.4 Å²	30.4	16%	0.155	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-99.2	145	-177.9	-75.4	-52.2	0	0	0	113	Y489 Q639 H642 P643 D644	Y489-N646 PolarHBondContact OH-ND2 3.17Å; Q639-N646 WeakPolarHBondContact CG-OD1 3.44Å; H642-N646 VanDerWaalsContact O-CG 3.31Å; H642-N646 PolarHBondContact O-ND2 3.16Å; H642-N646 PolarHBondContact O-OD1 2.85Å; P643-N646 PolarHBondContact O-ND2 3.07Å; D644-N646 VanDerWaalsContact C-N 3.32Å; D644-N646 PolarHBondContact O-N 2.98Å
647	A	70.7	Confident	82	Confident	44 Å²	44	32.6 Å²	32.6	36%	0.364	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-59.4	145.2	170.5	0	0	0	0	0	111.2	Y492	Y492-A647 PolarHBondContact OH-O 2.79Å
648	S	78.3	Confident	82	Confident	26 Å²	26	34.7 Å²	34.7	18%	0.182	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-64.2	153.4	171.3	65.7	0	0	0	0	110.6	E450 Y650 T651 A652	E450-S648 WeakPolarHBondContact OE2-CB 3.24Å; S648-Y650 PolarHBondContact O-N 3.4Å; S648-T651 PolarHBondContact N-OG1 2.79Å; S648-T651 VanDerWaalsContact N-OG1 3.16Å; S648-T651 PolarHBondContact O-N 3.09Å; S648-T651 PolarHBondContact O-OG1 3.22Å; S648-T651 VanDerWaalsContact O-OG1 3.04Å; S648-T651 WeakPolarHBondContact OG-CG2 3.1Å; S648-T651 PolarHBondContact OG-N 3.12Å; S648-T651 PolarHBondContact OG-OG1 3.31Å; S648-A652 WeakPolarHBondContact O-CB 3.4Å; S648-A652 PolarHBondContact O-N 3.39Å
649	A	82.1	Confident	82.2	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.008	22%	0.22	C	C	.	.	H	α-helix	trans	-55.3	-39.1	178.9	0	0	0	0	0	111.5	I491 Y492 Y653	I491-A649 HydrophobicContact CB-CB 4.15Å; I491-A649 HydrophobicContact CG2-CB 3.74Å; Y492-A649 HydrophobicContact CD1-CB 4.34Å; Y492-A649 HydrophobicContact CD2-CB 3.69Å; Y492-A649 HydrophobicContact CE1-CB 4.38Å; Y492-A649 HydrophobicContact CE2-CB 3.75Å; Y492-A649 HydrophobicContact CG-CB 4.01Å; A649-Y653 HydrophobicContact CB-CE2 4.44Å; A649-Y653 WeakPolarHBondContact O-CD2 3.39Å; A649-Y653 PolarHBondContact O-N 3.45Å
650	Y	85.6	Confident	82.5	Confident	125 Å²	125	36.8 Å²	36.8	49%	0.49	23%	0.227	S	C	.	.	H	α-helix	trans	-66.6	-44.5	179	-53.4	-69.6	0	0	0	112.9	E450 I491 N495 S648 A654	E450-Y650 HydrophobicContact CG-CE2 4.48Å; I491-Y650 HydrophobicContact CG2-CE1 4.3Å; I491-Y650 HydrophobicContact CG2-CE2 4.16Å; N495-Y650 WeakPolarHBondContact ND2-CE1 2.96Å; S648-Y650 PolarHBondContact O-N 3.4Å; Y650-A654 VanDerWaalsContact O-CB 3.23Å; Y650-A654 WeakPolarHBondContact O-CB 3.34Å; Y650-A654 PolarHBondContact O-N 2.91Å
651	T	84.3	Confident	82.7	Confident	82 Å²	82	42 Å²	42	50%	0.503	25%	0.25	S	S	.	.	H	α-helix	trans	-69.4	-37.5	178.2	50.6	0	0	0	0	112.2	S648 C655	S648-T651 PolarHBondContact N-OG1 2.79Å; S648-T651 VanDerWaalsContact N-OG1 3.16Å; S648-T651 PolarHBondContact O-N 3.09Å; S648-T651 PolarHBondContact O-OG1 3.22Å; S648-T651 VanDerWaalsContact O-OG1 3.04Å; S648-T651 WeakPolarHBondContact OG-CG2 3.1Å; S648-T651 PolarHBondContact OG-N 3.12Å; S648-T651 PolarHBondContact OG-OG1 3.31Å; T651-C655 WeakPolarHBondContact O-CB 3.35Å; T651-C655 PolarHBondContact O-N 3.01Å
652	A	86.2	Confident	82.9	Confident	7 Å²	7	45 Å²	45	6%	0.058	26%	0.263	C	S	.	.	H	α-helix	trans	-60.9	-50.6	173.3	0	0	0	0	0	112.2	Y492 L635 S648 C655 L656	Y492-A652 HydrophobicContact CE1-CB 4.04Å; L635-A652 HydrophobicContact CD1-CB 3.94Å; S648-A652 WeakPolarHBondContact O-CB 3.4Å; S648-A652 PolarHBondContact O-N 3.39Å; A652-C655 WeakPolarHBondContact O-CB 3.43Å; A652-C655 PolarHBondContact O-N 3.44Å; A652-L656 WeakPolarHBondContact O-CG 3.36Å; A652-L656 PolarHBondContact O-N 3.43Å; A652-L656 VanDerWaalsContact O-N 3.13Å
653	Y	89.3	Confident	83.3	Confident	16 Å²	16	45 Å²	45	6%	0.063	26%	0.264	C	S	.	.	H	α-helix	trans	-71.5	-30.1	179	-68	-52.3	0	0	0	113.4	Y492 N495 I496 I499 M628 L632 A649 C655 L656 A657	Y492-Y653 HydrophobicContact CD1-CE2 4.02Å; Y492-Y653 AromaticContact CD1-CZ 3.95Å; Y492-Y653 PolarHBondContact O-OH 3.41Å; N495-Y653 HydrophobicContact CB-CD2 3.76Å; N495-Y653 HydrophobicContact CB-CE2 3.51Å; I496-Y653 HydrophobicContact CD1-CE1 4.43Å; I499-Y653 HydrophobicContact CD1-CD1 4.29Å; I499-Y653 HydrophobicContact CD1-CG 4.19Å; M628-Y653 HydrophobicContact CE-CD1 3.6Å; M628-Y653 HydrophobicContact CE-CE1 3.74Å; L632-Y653 HydrophobicContact CD2-CE1 4.31Å; A649-Y653 HydrophobicContact CB-CE2 4.44Å; A649-Y653 WeakPolarHBondContact O-CD2 3.39Å; A649-Y653 PolarHBondContact O-N 3.45Å; Y653-C655 VanDerWaalsContact C-N 3.35Å; Y653-L656 HydrophobicContact CD1-CD1 4.05Å; Y653-L656 HydrophobicContact CE1-CD1 4.46Å; Y653-L656 PolarHBondContact O-N 3.36Å; Y653-A657 WeakPolarHBondContact O-CB 3.31Å; Y653-A657 PolarHBondContact O-N 3.17Å
654	A	89.4	Confident	84	Confident	61 Å²	61	47.6 Å²	47.6	50%	0.504	28%	0.279	S	S	.	.	H	α-helix	trans	-64.5	-38.4	171.6	0	0	0	0	0	112.2	Y650 A657 A658	Y650-A654 VanDerWaalsContact O-CB 3.23Å; Y650-A654 WeakPolarHBondContact O-CB 3.34Å; Y650-A654 PolarHBondContact O-N 2.91Å; A654-A657 PolarHBondContact O-N 3.48Å; A654-A658 PolarHBondContact O-N 2.81Å
655	C	88.1	Confident	85	Confident	82 Å²	82	48.7 Å²	48.7	55%	0.554	29%	0.285	S	S	*	.	H	α-helix	trans	-63.4	-45.6	173.4	-174.1	0	0	0	0	111.5	T651 A652 Y653 A657 A658 V659	T651-C655 WeakPolarHBondContact O-CB 3.35Å; T651-C655 PolarHBondContact O-N 3.01Å; A652-C655 WeakPolarHBondContact O-CB 3.43Å; A652-C655 PolarHBondContact O-N 3.44Å; Y653-C655 VanDerWaalsContact C-N 3.35Å; C655-A657 PolarHBondContact O-N 2.94Å; C655-A658 WeakPolarHBondContact O-CB 3.32Å; C655-A658 PolarHBondContact O-N 3.43Å; C655-V659 PolarHBondContact O-N 3.21Å; C655-V659 VanDerWaalsContact O-N 3.08Å
656	L	88.4	Confident	86	Confident	18 Å²	18	45.8 Å²	45.8	9%	0.094	27%	0.27	C	S	.	.	H	α-helix	trans	-64.9	-37.8	176.6	-66.4	167.9	0	0	0	112.4	M628 A652 Y653 A658 V659 I660	M628-L656 HydrophobicContact CE-CD1 4.43Å; M628-L656 HydrophobicContact SD-CB 3.72Å; M628-L656 HydrophobicContact SD-CD1 3.91Å; M628-L656 HydrophobicContact SD-CG 4.34Å; A652-L656 WeakPolarHBondContact O-CG 3.36Å; A652-L656 PolarHBondContact O-N 3.43Å; A652-L656 VanDerWaalsContact O-N 3.13Å; Y653-L656 HydrophobicContact CD1-CD1 4.05Å; Y653-L656 HydrophobicContact CE1-CD1 4.46Å; Y653-L656 PolarHBondContact O-N 3.36Å; L656-A658 VanDerWaalsContact C-N 3.31Å; L656-A658 PolarHBondContact O-N 3.13Å; L656-V659 WeakPolarHBondContact O-CB 3.21Å; L656-V659 PolarHBondContact O-N 3.08Å; L656-I660 WeakPolarHBondContact O-CG1 3.19Å; L656-I660 PolarHBondContact O-N 3.03Å
657	A	90.4	Very high	86.8	Confident	56 Å²	56	45.7 Å²	45.7	46%	0.463	27%	0.271	S	S	.	.	H	α-helix	trans	-62.3	-36.4	172.9	0	0	0	0	0	112.3	Y653 A654 C655 I660 F661	Y653-A657 WeakPolarHBondContact O-CB 3.31Å; Y653-A657 PolarHBondContact O-N 3.17Å; A654-A657 PolarHBondContact O-N 3.48Å; C655-A657 PolarHBondContact O-N 2.94Å; A657-I660 PolarHBondContact O-N 2.68Å; A657-F661 WeakPolarHBondContact O-CB 3.38Å; A657-F661 PolarHBondContact O-N 2.96Å
658	A	90.6	Very high	87.5	Confident	44 Å²	44	47.4 Å²	47.4	36%	0.364	28%	0.277	S	S	.	.	H	α-helix	trans	-67	-39.1	173.5	0	0	0	0	0	112.4	A654 C655 L656 F661 F662	A654-A658 PolarHBondContact O-N 2.81Å; C655-A658 WeakPolarHBondContact O-CB 3.32Å; C655-A658 PolarHBondContact O-N 3.43Å; L656-A658 VanDerWaalsContact C-N 3.31Å; L656-A658 PolarHBondContact O-N 3.13Å; A658-F661 PolarHBondContact O-N 2.72Å; A658-F662 WeakPolarHBondContact O-CD2 3.49Å; A658-F662 PolarHBondContact O-N 3.36Å
659	V	90.3	Very high	87.9	Confident	48 Å²	48	51.8 Å²	51.8	29%	0.291	29%	0.293	S	S	.	.	H	α-helix	trans	-61.3	-46.5	172.7	175.1	0	0	0	0	110.8	C655 L656 F661 F662 S663 L761	C655-V659 PolarHBondContact O-N 3.21Å; C655-V659 VanDerWaalsContact O-N 3.08Å; L656-V659 WeakPolarHBondContact O-CB 3.21Å; L656-V659 PolarHBondContact O-N 3.08Å; V659-F661 VanDerWaalsContact C-N 3.32Å; V659-F661 PolarHBondContact O-N 2.95Å; V659-F662 PolarHBondContact O-N 3.35Å; V659-S663 PolarHBondContact O-N 2.95Å; V659-L761 HydrophobicContact CG1-CD1 4.44Å; V659-L761 HydrophobicContact CG1-CD2 3.92Å; V659-L761 HydrophobicContact CG1-CG 4.26Å
660	I	90.3	Very high	87.8	Confident	36 Å²	36	52 Å²	52	19%	0.185	29%	0.294	C	S	.	.	H	α-helix	trans	-61.6	-39.6	176	-68.3	167.2	0	0	0	111.1	Q620 Y627 M628 L656 A657 S663 V664	Q620-I660 PolarHBondContact NE2-O 3.25Å; Y627-I660 HydrophobicContact CD2-CG1 4Å; M628-I660 HydrophobicContact CG-CD1 4.33Å; M628-I660 HydrophobicContact SD-CD1 3.97Å; L656-I660 WeakPolarHBondContact O-CG1 3.19Å; L656-I660 PolarHBondContact O-N 3.03Å; A657-I660 PolarHBondContact O-N 2.68Å; I660-S663 WeakPolarHBondContact O-CA 3.44Å; I660-S663 WeakPolarHBondContact O-CB 3.43Å; I660-S663 PolarHBondContact O-N 3.33Å; I660-V664 PolarHBondContact O-N 3.43Å
661	F	90.9	Very high	87.6	Confident	118 Å²	118	54.1 Å²	54.1	52%	0.518	30%	0.302	S	S	.	.	H	α-helix	trans	-64.4	-44.3	175.4	175.5	-105.2	0	0	0	112.6	A657 A658 V659 S663 V664 L665	A657-F661 WeakPolarHBondContact O-CB 3.38Å; A657-F661 PolarHBondContact O-N 2.96Å; A658-F661 PolarHBondContact O-N 2.72Å; V659-F661 VanDerWaalsContact C-N 3.32Å; V659-F661 PolarHBondContact O-N 2.95Å; F661-S663 VanDerWaalsContact C-N 3.25Å; F661-S663 PolarHBondContact O-N 3.24Å; F661-V664 WeakPolarHBondContact O-CB 3.15Å; F661-V664 PolarHBondContact O-N 2.95Å; F661-V664 VanDerWaalsContact O-N 3.11Å; F661-L665 HydrophobicContact CD1-CD1 4.13Å; F661-L665 HydrophobicContact CE1-CD1 3.53Å; F661-L665 HydrophobicContact CE1-CG 4.17Å; F661-L665 HydrophobicContact CZ-CD1 3.84Å; F661-L665 HydrophobicContact CZ-CD2 4.25Å; F661-L665 HydrophobicContact CZ-CG 4.13Å; F661-L665 PolarHBondContact O-N 3.44Å
662	F	89.5	Confident	87.3	Confident	65 Å²	65	53.5 Å²	53.5	29%	0.285	31%	0.312	S	S	.	.	H	α-helix	trans	-62.4	-33.3	171.8	-79	-65.3	0	0	0	112.1	A658 V659 L665 G666 I683 F757	A658-F662 WeakPolarHBondContact O-CD2 3.49Å; A658-F662 PolarHBondContact O-N 3.36Å; V659-F662 PolarHBondContact O-N 3.35Å; F662-L665 HydrophobicContact CD1-CD1 4.27Å; F662-L665 PolarHBondContact O-N 3.07Å; F662-G666 PolarHBondContact O-N 2.85Å; F662-I683 HydrophobicContact CE1-CD1 4.19Å; F662-I683 HydrophobicContact CZ-CD1 4.28Å; F662-I683 HydrophobicContact CZ-CG2 4.38Å; F662-F757 WeakPolarHBondContact O-CE1 3.48Å
663	S	89.1	Confident	87.4	Confident	1 Å²	1	56 Å²	56	1%	0.007	32%	0.324	C	S	.	.	H	α-helix	trans	-59.7	-42.8	170.7	-161.3	0	0	0	0	112.1	Y627 V659 I660 F661 V667	Y627-S663 PolarHBondContact OH-OG 2.9Å; V659-S663 PolarHBondContact O-N 2.95Å; I660-S663 WeakPolarHBondContact O-CA 3.44Å; I660-S663 WeakPolarHBondContact O-CB 3.43Å; I660-S663 PolarHBondContact O-N 3.33Å; F661-S663 VanDerWaalsContact C-N 3.25Å; F661-S663 PolarHBondContact O-N 3.24Å; S663-V667 WeakPolarHBondContact O-CB 3.21Å; S663-V667 VanDerWaalsContact O-CG2 3.24Å; S663-V667 WeakPolarHBondContact O-CG2 3.49Å; S663-V667 PolarHBondContact O-N 3.49Å
664	V	87.7	Confident	87.4	Confident	55 Å²	55	59.5 Å²	59.5	33%	0.333	34%	0.342	S	S	.	.	H	α-helix	trans	-61.4	-48.2	174	-177.2	0	0	0	0	110.7	I660 F661 G666 V667 V668	I660-V664 PolarHBondContact O-N 3.43Å; F661-V664 WeakPolarHBondContact O-CB 3.15Å; F661-V664 PolarHBondContact O-N 2.95Å; F661-V664 VanDerWaalsContact O-N 3.11Å; V664-G666 PolarHBondContact O-N 3.04Å; V664-V667 PolarHBondContact O-N 2.91Å; V664-V668 HydrophobicContact CG1-CG2 4.17Å; V664-V668 WeakPolarHBondContact O-CB 3.41Å; V664-V668 WeakPolarHBondContact O-CG2 3.18Å; V664-V668 PolarHBondContact O-N 3.03Å
665	L	89.1	Confident	87.5	Confident	45 Å²	45	61.3 Å²	61.3	24%	0.236	35%	0.347	C	S	.	.	H	α-helix	trans	-62.3	-41.5	-178.1	-67.6	-178	0	0	0	112.3	F661 F662 F669 F676	F661-L665 HydrophobicContact CD1-CD1 4.13Å; F661-L665 HydrophobicContact CE1-CD1 3.53Å; F661-L665 HydrophobicContact CE1-CG 4.17Å; F661-L665 HydrophobicContact CZ-CD1 3.84Å; F661-L665 HydrophobicContact CZ-CD2 4.25Å; F661-L665 HydrophobicContact CZ-CG 4.13Å; F661-L665 PolarHBondContact O-N 3.44Å; F662-L665 HydrophobicContact CD1-CD1 4.27Å; F662-L665 PolarHBondContact O-N 3.07Å; L665-F669 HydrophobicContact CD2-CD2 3.93Å; L665-F669 HydrophobicContact CD2-CE2 3.83Å; L665-F669 WeakPolarHBondContact O-CA 3.22Å; L665-F669 VanDerWaalsContact O-CB 3.32Å; L665-F669 WeakPolarHBondContact O-CB 3.33Å; L665-F669 PolarHBondContact O-N 3.4Å; L665-F676 HydrophobicContact CB-CE2 4.12Å
666	G	87.6	Confident	87.7	Confident	2 Å²	2	58.7 Å²	58.7	2%	0.021	33%	0.326	C	S	.	.	H	α-helix	trans	-74.7	-30.6	179.4	0	0	0	0	0	114.2	F662 V664 G670	F662-G666 PolarHBondContact O-N 2.85Å; V664-G666 PolarHBondContact O-N 3.04Å; G666-G670 WeakPolarHBondContact O-CA 3.35Å; G666-G670 PolarHBondContact O-N 2.9Å
667	V	85.1	Confident	87.9	Confident	28 Å²	28	57.9 Å²	57.9	17%	0.17	32%	0.322	C	S	.	.	H	α-helix	trans	-63.6	-57.6	167.6	167.4	0	0	0	0	109.7	Y616 S663 V664 A758	Y616-V667 HydrophobicContact CD2-CG1 4.4Å; Y616-V667 HydrophobicContact CE2-CG1 3.55Å; Y616-V667 PolarHBondContact OH-O 2.74Å; S663-V667 WeakPolarHBondContact O-CB 3.21Å; S663-V667 VanDerWaalsContact O-CG2 3.24Å; S663-V667 WeakPolarHBondContact O-CG2 3.49Å; S663-V667 PolarHBondContact O-N 3.49Å; V664-V667 PolarHBondContact O-N 2.91Å; V667-A758 HydrophobicContact CG2-CB 4.29Å
668	V	85.4	Confident	88	Confident	80 Å²	80	59.3 Å²	59.3	49%	0.485	32%	0.321	S	S	.	.	H	α-helix	trans	-69.1	-39.2	-173	175.7	0	0	0	0	113.5	V664	V664-V668 HydrophobicContact CG1-CG2 4.17Å; V664-V668 WeakPolarHBondContact O-CB 3.41Å; V664-V668 WeakPolarHBondContact O-CG2 3.18Å; V664-V668 PolarHBondContact O-N 3.03Å
669	F	86.5	Confident	88.1	Confident	118 Å²	118	60.9 Å²	60.9	52%	0.518	33%	0.325	S	S	.	.	H	α-helix	trans	-116.2	-6.9	-171.5	-58.4	-72.4	0	0	0	115	L665 N673	L665-F669 HydrophobicContact CD2-CD2 3.93Å; L665-F669 HydrophobicContact CD2-CE2 3.83Å; L665-F669 WeakPolarHBondContact O-CA 3.22Å; L665-F669 VanDerWaalsContact O-CB 3.32Å; L665-F669 WeakPolarHBondContact O-CB 3.33Å; L665-F669 PolarHBondContact O-N 3.4Å; F669-N673 WeakPolarHBondContact O-CB 3.47Å; F669-N673 PolarHBondContact O-ND2 3.18Å
670	G	81	Confident	88.2	Confident	4 Å²	4	59.2 Å²	59.2	4%	0.041	31%	0.314	C	S	.	.	H	α-helix	trans	-78.8	-21.9	-175.7	0	0	0	0	0	114.8	G666 G672 N673 W677	G666-G670 WeakPolarHBondContact O-CA 3.35Å; G666-G670 PolarHBondContact O-N 2.9Å; G670-G672 PolarHBondContact O-N 2.67Å; G670-N673 PolarHBondContact O-N 3.47Å; G670-W677 PolarHBondContact O-NE1 2.7Å
671	R	81.6	Confident	88.4	Confident	171 Å²	171	57.9 Å²	57.9	65%	0.645	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	106.4	-178.8	-170	173.2	-173.1	163.4	4.7	111.2	N673	R671-N673 VanDerWaalsContact C-N 3.25Å; R671-N673 PolarHBondContact O-N 2.91Å
672	G	78	Confident	88.5	Confident	69 Å²	69	56 Å²	56	71%	0.711	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	-0.9	178.4	0	0	0	0	0	116.2	G670 M674	G670-G672 PolarHBondContact O-N 2.67Å; G672-M674 PolarHBondContact O-N 3.35Å
673	N	88.2	Confident	88.7	Confident	59 Å²	59	56.1 Å²	56.1	32%	0.316	31%	0.309	S	S	.	.			trans	-94.4	95.8	-171.8	-175.7	-6	0	0	0	112.7	F669 G670 R671 V675 F676 W677	F669-N673 WeakPolarHBondContact O-CB 3.47Å; F669-N673 PolarHBondContact O-ND2 3.18Å; G670-N673 PolarHBondContact O-N 3.47Å; R671-N673 VanDerWaalsContact C-N 3.25Å; R671-N673 PolarHBondContact O-N 2.91Å; N673-V675 PolarHBondContact O-N 2.94Å; N673-V675 PolarHBondContact OD1-N 2.84Å; N673-V675 VanDerWaalsContact OD1-N 3.13Å; N673-F676 HydrophobicContact CB-CB 4.11Å; N673-F676 PolarHBondContact O-N 2.85Å; N673-F676 PolarHBondContact OD1-N 2.79Å; N673-W677 PolarHBondContact O-N 3.11Å
674	M	89.1	Confident	88.8	Confident	89 Å²	89	57 Å²	57	44%	0.438	31%	0.313	S	S	.	.	H	α-helix	trans	-53.3	-37.3	177.5	-66.4	-57.8	-60.9	0	0	113.6	G672 W677 I678 R753	G672-M674 PolarHBondContact O-N 3.35Å; M674-W677 PolarHBondContact O-N 3.34Å; M674-I678 VanDerWaalsContact O-CG1 3.3Å; M674-I678 WeakPolarHBondContact O-CG1 3.28Å; M674-I678 PolarHBondContact O-N 2.97Å; M674-R753 WeakPolarHBondContact SD-CD 3.32Å; M674-R753 PolarHBondContact SD-NE 2.8Å; M674-R753 VanDerWaalsContact SD-NE 3.41Å
675	V	91.3	Very high	89.1	Confident	100 Å²	100	57 Å²	57	61%	0.606	31%	0.311	S	S	*	.	H	α-helix	trans	-68.1	-40.7	-176.5	-176.1	0	0	0	0	110.9	N673 W677 I678 V679	N673-V675 PolarHBondContact O-N 2.94Å; N673-V675 PolarHBondContact OD1-N 2.84Å; N673-V675 VanDerWaalsContact OD1-N 3.13Å; V675-W677 PolarHBondContact O-N 3.28Å; V675-I678 PolarHBondContact O-N 3.41Å; V675-V679 HydrophobicContact CG1-CG2 4.36Å; V675-V679 WeakPolarHBondContact O-CB 3.3Å; V675-V679 WeakPolarHBondContact O-CG2 3.34Å; V675-V679 PolarHBondContact O-N 3.41Å
676	F	91.6	Very high	89.1	Confident	27 Å²	27	59.5 Å²	59.5	12%	0.118	32%	0.324	C	S	.	.	H	α-helix	trans	-58.8	-48.2	174.6	173	-92.5	0	0	0	111.4	L665 N673 I678 V679 F680 F757	L665-F676 HydrophobicContact CB-CE2 4.12Å; N673-F676 HydrophobicContact CB-CB 4.11Å; N673-F676 PolarHBondContact O-N 2.85Å; N673-F676 PolarHBondContact OD1-N 2.79Å; F676-I678 PolarHBondContact O-N 2.93Å; F676-V679 PolarHBondContact O-N 2.99Å; F676-F680 HydrophobicContact CE1-CB 4.24Å; F676-F680 HydrophobicContact CZ-CB 4.18Å; F676-F680 WeakPolarHBondContact O-CB 3.33Å; F676-F680 PolarHBondContact O-N 3.48Å; F676-F757 AromaticContact CE1-CD2 3.81Å; F676-F757 HydrophobicContact CE1-CD2 3.81Å; F676-F757 AromaticContact CE1-CE2 3.53Å; F676-F757 HydrophobicContact CE1-CE2 3.53Å; F676-F757 HydrophobicContact CE1-CZ 4.09Å; F676-F757 HydrophobicContact CZ-CD2 4.26Å; F676-F757 HydrophobicContact CZ-CE1 4.37Å; F676-F757 AromaticContact CZ-CE2 3.74Å; F676-F757 HydrophobicContact CZ-CE2 3.74Å; F676-F757 AromaticContact CZ-CZ 3.8Å; F676-F757 HydrophobicContact CZ-CZ 3.8Å
677	W	92.8	Very high	89.2	Confident	1 Å²	1	61.8 Å²	61.8	0%	0.004	34%	0.342	C	S	.	.	H	α-helix	trans	-65.2	-37.2	-178.7	-75.8	99.3	0	0	0	113.3	G670 N673 M674 V675 S681 G749 L750 R753 P754 F757 Y760	G670-W677 PolarHBondContact O-NE1 2.7Å; N673-W677 PolarHBondContact O-N 3.11Å; M674-W677 PolarHBondContact O-N 3.34Å; V675-W677 PolarHBondContact O-N 3.28Å; W677-S681 VanDerWaalsContact O-CB 3.3Å; W677-S681 WeakPolarHBondContact O-CB 3.11Å; W677-S681 PolarHBondContact O-N 2.86Å; W677-S681 PolarHBondContact O-OG 3.45Å; W677-G749 WeakPolarHBondContact CZ3-O 3.44Å; W677-L750 HydrophobicContact CB-CD1 4.07Å; W677-R753 HydrophobicContact CB-CG 4.38Å; W677-R753 HydrophobicContact CD2-CB 4.23Å; W677-R753 HydrophobicContact CD2-CG 4.01Å; W677-R753 HydrophobicContact CG-CB 4.33Å; W677-R753 HydrophobicContact CG-CG 3.79Å; W677-R753 HydrophobicContact CZ2-CB 4.31Å; W677-P754 HydrophobicContact CH2-CG 3.87Å; W677-P754 HydrophobicContact CZ2-CG 4.43Å; W677-P754 WeakPolarHBondContact CZ2-O 3.43Å; W677-F757 AromaticContact CH2-CD2 3.64Å; W677-F757 HydrophobicContact CH2-CD2 3.64Å; W677-F757 HydrophobicContact CH2-CE2 4.24Å; W677-F757 AromaticContact CZ2-CD2 3.99Å; W677-F757 HydrophobicContact CZ2-CD2 3.99Å; W677-F757 HydrophobicContact CZ3-CD2 4.14Å; W677-F757 HydrophobicContact CZ3-CE2 4.28Å; W677-Y760 HydrophobicContact CH2-CD1 4.03Å; W677-Y760 HydrophobicContact CH2-CE1 4.19Å; W677-Y760 AromaticContact CZ3-CD1 3.97Å; W677-Y760 HydrophobicContact CZ3-CD1 3.97Å; W677-Y760 AromaticContact CZ3-CE1 3.64Å; W677-Y760 HydrophobicContact CZ3-CE1 3.64Å
678	I	92.7	Very high	89.4	Confident	86 Å²	86	61.1 Å²	61.1	44%	0.441	34%	0.338	S	S	.	.	H	α-helix	trans	-64.1	-51	173.6	-67.8	164	0	0	0	110.4	M674 V675 F676 F680 S681 V682 L750	M674-I678 VanDerWaalsContact O-CG1 3.3Å; M674-I678 WeakPolarHBondContact O-CG1 3.28Å; M674-I678 PolarHBondContact O-N 2.97Å; V675-I678 PolarHBondContact O-N 3.41Å; F676-I678 PolarHBondContact O-N 2.93Å; I678-F680 PolarHBondContact O-N 3.32Å; I678-S681 PolarHBondContact O-N 3.12Å; I678-V682 WeakPolarHBondContact O-CG2 3.21Å; I678-V682 PolarHBondContact O-N 3.28Å; I678-L750 HydrophobicContact CG1-CD1 3.79Å
679	V	92.9	Very high	89.4	Confident	77 Å²	77	60.5 Å²	60.5	47%	0.467	33%	0.332	S	S	.	.	H	α-helix	trans	-62.8	-44.5	-179.1	171	0	0	0	0	111.2	V675 F676 V682 I683	V675-V679 HydrophobicContact CG1-CG2 4.36Å; V675-V679 WeakPolarHBondContact O-CB 3.3Å; V675-V679 WeakPolarHBondContact O-CG2 3.34Å; V675-V679 PolarHBondContact O-N 3.41Å; F676-V679 PolarHBondContact O-N 2.99Å; V679-V682 PolarHBondContact O-N 3.2Å; V679-I683 HydrophobicContact CG1-CD1 3.76Å; V679-I683 HydrophobicContact CG1-CG1 4.5Å; V679-I683 VanDerWaalsContact O-CG1 3.3Å; V679-I683 WeakPolarHBondContact O-CG1 3.26Å; V679-I683 PolarHBondContact O-N 3.36Å
680	F	92.8	Very high	89.3	Confident	12 Å²	12	59 Å²	59	5%	0.053	33%	0.329	C	S	.	.	H	α-helix	trans	-61.5	-45.2	176.2	178.1	-95.5	0	0	0	111.9	F676 I678 V682 I683 H684 F757 Y760 L761 I764	F676-F680 HydrophobicContact CE1-CB 4.24Å; F676-F680 HydrophobicContact CZ-CB 4.18Å; F676-F680 WeakPolarHBondContact O-CB 3.33Å; F676-F680 PolarHBondContact O-N 3.48Å; I678-F680 PolarHBondContact O-N 3.32Å; F680-V682 VanDerWaalsContact C-N 3.34Å; F680-V682 PolarHBondContact O-N 2.95Å; F680-I683 PolarHBondContact O-N 2.79Å; F680-H684 HydrophobicContact CE1-CB 4.1Å; F680-H684 HydrophobicContact CZ-CB 4.23Å; F680-H684 WeakPolarHBondContact O-CB 3.41Å; F680-H684 PolarHBondContact O-N 2.81Å; F680-F757 HydrophobicContact CD1-CE2 4.06Å; F680-F757 HydrophobicContact CD1-CZ 4.3Å; F680-F757 HydrophobicContact CD2-CE2 4.21Å; F680-F757 AromaticContact CD2-CZ 3.72Å; F680-F757 HydrophobicContact CD2-CZ 3.72Å; F680-F757 HydrophobicContact CE1-CE2 4.2Å; F680-F757 HydrophobicContact CE1-CZ 4.24Å; F680-F757 HydrophobicContact CE2-CE2 4.34Å; F680-F757 AromaticContact CE2-CZ 3.63Å; F680-F757 HydrophobicContact CE2-CZ 3.63Å; F680-F757 HydrophobicContact CG-CE2 4.07Å; F680-F757 HydrophobicContact CG-CZ 4.06Å; F680-F757 HydrophobicContact CZ-CE2 4.33Å; F680-F757 AromaticContact CZ-CZ 3.9Å; F680-F757 HydrophobicContact CZ-CZ 3.9Å; F680-Y760 HydrophobicContact CD1-CE1 4.38Å; F680-Y760 AromaticContact CE1-CE1 3.77Å; F680-Y760 HydrophobicContact CE1-CE1 3.77Å; F680-L761 HydrophobicContact CZ-CD1 4.2Å; F680-I764 HydrophobicContact CE1-CD1 4.47Å
681	S	92.9	Very high	89.4	Confident	8 Å²	8	63.4 Å²	63.4	6%	0.056	35%	0.351	C	S	.	.	H	α-helix	trans	-64	-39	-179.2	-58.9	0	0	0	0	112	W677 I678 H684 I685	W677-S681 VanDerWaalsContact O-CB 3.3Å; W677-S681 WeakPolarHBondContact O-CB 3.11Å; W677-S681 PolarHBondContact O-N 2.86Å; W677-S681 PolarHBondContact O-OG 3.45Å; I678-S681 PolarHBondContact O-N 3.12Å; S681-H684 PolarHBondContact O-N 3.43Å; S681-I685 WeakPolarHBondContact O-CB 3.47Å; S681-I685 VanDerWaalsContact O-CG1 3.27Å; S681-I685 WeakPolarHBondContact O-CG1 3.4Å; S681-I685 PolarHBondContact O-N 3.1Å
682	V	94.2	Very high	89.5	Confident	80 Å²	80	56.1 Å²	56.1	49%	0.485	33%	0.326	S	S	.	.	H	α-helix	trans	-64.2	-47	173.3	171.9	0	0	0	0	111.2	I678 V679 F680 H684 I685 L686	I678-V682 WeakPolarHBondContact O-CG2 3.21Å; I678-V682 PolarHBondContact O-N 3.28Å; V679-V682 PolarHBondContact O-N 3.2Å; F680-V682 VanDerWaalsContact C-N 3.34Å; F680-V682 PolarHBondContact O-N 2.95Å; V682-H684 VanDerWaalsContact C-N 3.33Å; V682-H684 PolarHBondContact O-N 3.18Å; V682-I685 PolarHBondContact O-N 2.89Å; V682-L686 HydrophobicContact CG1-CD1 3.82Å; V682-L686 HydrophobicContact CG1-CG 4.44Å; V682-L686 WeakPolarHBondContact O-CB 3.4Å; V682-L686 VanDerWaalsContact O-CG 3.27Å; V682-L686 WeakPolarHBondContact O-CG 3.33Å; V682-L686 PolarHBondContact O-N 3.21Å
683	I	92.3	Very high	89.5	Confident	67 Å²	67	55.2 Å²	55.2	34%	0.344	31%	0.307	S	S	.	.	H	α-helix	trans	-60.1	-44	176.7	-70.7	169.3	0	0	0	110.8	F662 V679 F680 L686 A687	F662-I683 HydrophobicContact CE1-CD1 4.19Å; F662-I683 HydrophobicContact CZ-CD1 4.28Å; F662-I683 HydrophobicContact CZ-CG2 4.38Å; V679-I683 HydrophobicContact CG1-CD1 3.76Å; V679-I683 HydrophobicContact CG1-CG1 4.5Å; V679-I683 VanDerWaalsContact O-CG1 3.3Å; V679-I683 WeakPolarHBondContact O-CG1 3.26Å; V679-I683 PolarHBondContact O-N 3.36Å; F680-I683 PolarHBondContact O-N 2.79Å; I683-L686 PolarHBondContact O-N 3.49Å; I683-A687 WeakPolarHBondContact O-CB 3.41Å; I683-A687 PolarHBondContact O-N 2.9Å
684	H	92.4	Very high	88.8	Confident	18 Å²	18	54.8 Å²	54.8	8%	0.083	30%	0.303	C	S	.	.	H	α-helix	trans	-64.2	-48.6	-179.9	177.6	75	0	0	0	111.9	F680 S681 V682 L686 A687 T688 N742	F680-H684 HydrophobicContact CE1-CB 4.1Å; F680-H684 HydrophobicContact CZ-CB 4.23Å; F680-H684 WeakPolarHBondContact O-CB 3.41Å; F680-H684 PolarHBondContact O-N 2.81Å; S681-H684 PolarHBondContact O-N 3.43Å; V682-H684 VanDerWaalsContact C-N 3.33Å; V682-H684 PolarHBondContact O-N 3.18Å; H684-L686 PolarHBondContact O-N 2.97Å; H684-A687 PolarHBondContact O-N 3.24Å; H684-T688 WeakPolarHBondContact O-CG2 3.35Å; H684-T688 PolarHBondContact O-N 2.81Å; H684-T688 PolarHBondContact O-OG1 2.87Å; H684-T688 VanDerWaalsContact O-OG1 3.1Å; H684-N742 PolarHBondContact CE1-OD1 3.45Å; H684-N742 PolarHBondContact NE2-OD1 3.07Å
685	I	92.7	Very high	88.2	Confident	57 Å²	57	53.2 Å²	53.2	29%	0.292	30%	0.296	S	S	.	.	H	α-helix	trans	-61.1	-43.1	177.9	-70.1	166.6	0	0	0	111.1	S681 V682 T688 L689 A746	S681-I685 WeakPolarHBondContact O-CB 3.47Å; S681-I685 VanDerWaalsContact O-CG1 3.27Å; S681-I685 WeakPolarHBondContact O-CG1 3.4Å; S681-I685 PolarHBondContact O-N 3.1Å; V682-I685 PolarHBondContact O-N 2.89Å; I685-T688 PolarHBondContact O-OG1 3.41Å; I685-T688 VanDerWaalsContact O-OG1 3.13Å; I685-L689 HydrophobicContact CG2-CD1 4.04Å; I685-L689 VanDerWaalsContact O-CB 3.31Å; I685-L689 WeakPolarHBondContact O-CB 3.36Å; I685-L689 WeakPolarHBondContact O-CG 3.43Å; I685-L689 PolarHBondContact O-N 3.23Å; I685-A746 HydrophobicContact CD1-CB 4.2Å; I685-A746 HydrophobicContact CG1-CB 4.13Å
686	L	90.6	Very high	87.5	Confident	96 Å²	96	49.1 Å²	49.1	50%	0.503	27%	0.27	S	S	.	.	H	α-helix	trans	-65.9	-42.3	176.1	-70	173.4	0	0	0	111.8	V682 I683 H684 L689 L690	V682-L686 HydrophobicContact CG1-CD1 3.82Å; V682-L686 HydrophobicContact CG1-CG 4.44Å; V682-L686 WeakPolarHBondContact O-CB 3.4Å; V682-L686 VanDerWaalsContact O-CG 3.27Å; V682-L686 WeakPolarHBondContact O-CG 3.33Å; V682-L686 PolarHBondContact O-N 3.21Å; I683-L686 PolarHBondContact O-N 3.49Å; H684-L686 PolarHBondContact O-N 2.97Å; L686-L689 PolarHBondContact O-N 2.97Å; L686-L690 WeakPolarHBondContact O-CB 3.46Å; L686-L690 WeakPolarHBondContact O-CG 3.14Å; L686-L690 PolarHBondContact O-N 3.46Å
687	A	88.4	Confident	86.4	Confident	50 Å²	50	51 Å²	51	41%	0.413	28%	0.277	S	S	.	.	H	α-helix	trans	-65.3	-42	178.3	0	0	0	0	0	112.1	I683 H684 L690 L691	I683-A687 WeakPolarHBondContact O-CB 3.41Å; I683-A687 PolarHBondContact O-N 2.9Å; H684-A687 PolarHBondContact O-N 3.24Å; A687-L690 PolarHBondContact O-N 3.24Å; A687-L691 VanDerWaalsContact O-CB 3.24Å; A687-L691 WeakPolarHBondContact O-CB 3.48Å; A687-L691 PolarHBondContact O-N 2.84Å
688	T	89.4	Confident	85.1	Confident	14 Å²	14	51.6 Å²	51.6	9%	0.086	28%	0.28	C	S	.	.	H	α-helix	trans	-70.1	-36.8	177.5	56	0	0	0	0	111.9	H684 I685 S692 N742	H684-T688 WeakPolarHBondContact O-CG2 3.35Å; H684-T688 PolarHBondContact O-N 2.81Å; H684-T688 PolarHBondContact O-OG1 2.87Å; H684-T688 VanDerWaalsContact O-OG1 3.1Å; I685-T688 PolarHBondContact O-OG1 3.41Å; I685-T688 VanDerWaalsContact O-OG1 3.13Å; T688-S692 VanDerWaalsContact O-CB 3.23Å; T688-S692 WeakPolarHBondContact O-CB 3.37Å; T688-S692 PolarHBondContact O-N 3.42Å; T688-S692 PolarHBondContact O-OG 2.98Å; T688-N742 HydrophobicContact CG2-CB 3.9Å
689	L	86.9	Confident	83.3	Confident	68 Å²	68	49.6 Å²	49.6	36%	0.356	28%	0.28	S	S	.	.	H	α-helix	trans	-62.5	-46.9	171.4	-84.8	169.7	0	0	0	112	I685 L686 S692 T693 W743	I685-L689 HydrophobicContact CG2-CD1 4.04Å; I685-L689 VanDerWaalsContact O-CB 3.31Å; I685-L689 WeakPolarHBondContact O-CB 3.36Å; I685-L689 WeakPolarHBondContact O-CG 3.43Å; I685-L689 PolarHBondContact O-N 3.23Å; L686-L689 PolarHBondContact O-N 2.97Å; L689-S692 PolarHBondContact O-N 3.35Å; L689-T693 VanDerWaalsContact O-CB 3.31Å; L689-T693 WeakPolarHBondContact O-CB 3.26Å; L689-T693 PolarHBondContact O-N 3.46Å; L689-T693 PolarHBondContact O-OG1 3.13Å; L689-W743 HydrophobicContact CD2-CZ2 3.93Å; L689-W743 HydrophobicContact CG-CZ2 4.27Å
690	L	84.1	Confident	81.5	Confident	86 Å²	86	49.5 Å²	49.5	45%	0.45	27%	0.271	S	S	.	.	H	α-helix	trans	-64.7	-45.4	178.2	-73.9	169.1	0	0	0	111.6	L686 A687 S692 T693 Q694 L703	L686-L690 WeakPolarHBondContact O-CB 3.46Å; L686-L690 WeakPolarHBondContact O-CG 3.14Å; L686-L690 PolarHBondContact O-N 3.46Å; A687-L690 PolarHBondContact O-N 3.24Å; L690-S692 PolarHBondContact O-N 3.22Å; L690-T693 WeakPolarHBondContact O-CB 3.49Å; L690-T693 PolarHBondContact O-N 3.48Å; L690-Q694 WeakPolarHBondContact O-CG 2.9Å; L690-Q694 PolarHBondContact O-N 2.9Å; L690-L703 HydrophobicContact CD2-CD2 4.08Å
691	L	82.8	Confident	79.4	Confident	96 Å²	96	51.3 Å²	51.3	50%	0.503	28%	0.278	S	S	.	.	H	α-helix	trans	-60	-45.9	175.8	-176	68.8	0	0	0	111.1	A687 T693 Q694 L695	A687-L691 VanDerWaalsContact O-CB 3.24Å; A687-L691 WeakPolarHBondContact O-CB 3.48Å; A687-L691 PolarHBondContact O-N 2.84Å; L691-T693 VanDerWaalsContact C-N 3.31Å; L691-T693 PolarHBondContact O-N 3.46Å; L691-Q694 PolarHBondContact O-N 2.95Å; L691-L695 HydrophobicContact CD1-CD1 4.47Å; L691-L695 HydrophobicContact CG-CD1 4.01Å; L691-L695 WeakPolarHBondContact O-CB 3.26Å; L691-L695 VanDerWaalsContact O-CG 3.31Å; L691-L695 WeakPolarHBondContact O-CG 3.5Å; L691-L695 PolarHBondContact O-N 2.89Å
692	S	84.3	Confident	77.4	Confident	18 Å²	18	57.8 Å²	57.8	13%	0.126	30%	0.301	C	S	.	.	H	α-helix	trans	-61.9	-40.8	176.8	-58.7	0	0	0	0	112	T688 L689 L690 L695 Y696 L735 N739	T688-S692 VanDerWaalsContact O-CB 3.23Å; T688-S692 WeakPolarHBondContact O-CB 3.37Å; T688-S692 PolarHBondContact O-N 3.42Å; T688-S692 PolarHBondContact O-OG 2.98Å; L689-S692 PolarHBondContact O-N 3.35Å; L690-S692 PolarHBondContact O-N 3.22Å; S692-L695 PolarHBondContact O-N 2.87Å; S692-Y696 WeakPolarHBondContact O-CB 3.46Å; S692-Y696 PolarHBondContact O-N 2.87Å; S692-L735 WeakPolarHBondContact O-CD1 3.27Å; S692-N739 WeakPolarHBondContact CB-ND2 3.39Å; S692-N739 PolarHBondContact OG-ND2 2.76Å
693	T	76.8	Confident	75.3	Confident	51 Å²	51	59.3 Å²	59.3	31%	0.313	31%	0.306	S	S	.	.	H	α-helix	trans	-62.2	-43.8	176	-60.4	0	0	0	0	111.2	L689 L690 L691 Y697 W701	L689-T693 VanDerWaalsContact O-CB 3.31Å; L689-T693 WeakPolarHBondContact O-CB 3.26Å; L689-T693 PolarHBondContact O-N 3.46Å; L689-T693 PolarHBondContact O-OG1 3.13Å; L690-T693 WeakPolarHBondContact O-CB 3.49Å; L690-T693 PolarHBondContact O-N 3.48Å; L691-T693 VanDerWaalsContact C-N 3.31Å; L691-T693 PolarHBondContact O-N 3.46Å; T693-Y697 WeakPolarHBondContact O-CD2 3.25Å; T693-Y697 PolarHBondContact O-N 3.47Å; T693-W701 HydrophobicContact CG2-CD2 4.32Å; T693-W701 HydrophobicContact CG2-CE3 3.33Å; T693-W701 HydrophobicContact CG2-CZ3 3.51Å
694	Q	74.9	Confident	73.6	Confident	50 Å²	50	58.9 Å²	58.9	23%	0.234	30%	0.304	C	S	.	.	H	α-helix	trans	-66.3	-41.9	175.5	-67.8	-63	-5.6	0	0	112.3	L690 L691 Y697 M698 G699 W701	L690-Q694 WeakPolarHBondContact O-CG 2.9Å; L690-Q694 PolarHBondContact O-N 2.9Å; L691-Q694 PolarHBondContact O-N 2.95Å; Q694-Y697 CarbonylContact O-C 3.54Å; Q694-Y697 PolarHBondContact O-N 2.97Å; Q694-M698 WeakPolarHBondContact O-CA 3.43Å; Q694-M698 PolarHBondContact O-N 3.44Å; Q694-G699 PolarHBondContact O-N 3.43Å; Q694-W701 PolarHBondContact NE2-O 2.94Å; Q694-W701 PolarHBondContact OE1-O 2.93Å
695	L	76	Confident	71.7	Confident	55 Å²	55	63.7 Å²	63.7	29%	0.288	35%	0.347	S	S	.	.	H	α-helix	trans	-66	-43.9	179	-71.9	170.2	0	0	0	112.2	Y638 L691 S692 Y697 M698 L735	Y638-L695 HydrophobicContact CD2-CD2 3.93Å; Y638-L695 HydrophobicContact CE2-CD2 3.61Å; L691-L695 HydrophobicContact CD1-CD1 4.47Å; L691-L695 HydrophobicContact CG-CD1 4.01Å; L691-L695 WeakPolarHBondContact O-CB 3.26Å; L691-L695 VanDerWaalsContact O-CG 3.31Å; L691-L695 WeakPolarHBondContact O-CG 3.5Å; L691-L695 PolarHBondContact O-N 2.89Å; S692-L695 PolarHBondContact O-N 2.87Å; L695-Y697 VanDerWaalsContact C-N 3.29Å; L695-Y697 PolarHBondContact O-N 3.1Å; L695-M698 PolarHBondContact O-N 3.13Å; L695-L735 HydrophobicContact CB-CD1 4.41Å; L695-L735 HydrophobicContact CB-CD2 4.25Å; L695-L735 HydrophobicContact CD1-CD2 4.22Å
696	Y	75.4	Confident	70	Confident	14 Å²	14	62.6 Å²	62.6	6%	0.055	35%	0.35	C	S	.	.	H	α-helix	trans	-60.1	-40.2	177.5	-175.9	-104.4	0	0	0	112.2	S692 P726 M727 Y728 R731 M732 L735	S692-Y696 WeakPolarHBondContact O-CB 3.46Å; S692-Y696 PolarHBondContact O-N 2.87Å; Y696-P726 WeakPolarHBondContact OH-CB 3.27Å; Y696-M727 PolarHBondContact OH-N 3.31Å; Y696-M727 VanDerWaalsContact OH-N 3.1Å; Y696-Y728 HydrophobicContact CE2-CD2 4.44Å; Y696-Y728 PolarHBondContact OH-N 2.95Å; Y696-R731 HydrophobicContact CD2-CB 4.09Å; Y696-R731 HydrophobicContact CE2-CB 4.46Å; Y696-M732 HydrophobicContact CD2-CE 4.22Å; Y696-M732 HydrophobicContact CE1-CE 4.12Å; Y696-M732 HydrophobicContact CE2-CB 4.03Å; Y696-M732 HydrophobicContact CE2-CE 3.74Å; Y696-L735 HydrophobicContact CD2-CD1 4.26Å; Y696-L735 HydrophobicContact CG-CD1 4.41Å
697	Y	69.4	Low	68.7	Low	68 Å²	68	60.2 Å²	60.2	27%	0.267	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	14.1	178.4	-71.8	-74	0	0	0	114	T693 Q694 L695 G699 R700 W701	T693-Y697 WeakPolarHBondContact O-CD2 3.25Å; T693-Y697 PolarHBondContact O-N 3.47Å; Q694-Y697 CarbonylContact O-C 3.54Å; Q694-Y697 PolarHBondContact O-N 2.97Å; L695-Y697 VanDerWaalsContact C-N 3.29Å; L695-Y697 PolarHBondContact O-N 3.1Å; Y697-G699 VanDerWaalsContact C-N 3.32Å; Y697-G699 PolarHBondContact O-N 3.01Å; Y697-R700 WeakPolarHBondContact O-CB 3.3Å; Y697-R700 WeakPolarHBondContact O-CD 3.26Å; Y697-R700 WeakPolarHBondContact O-CG 3.47Å; Y697-R700 PolarHBondContact O-N 3.24Å; Y697-W701 AromaticContact CD2-CE3 3.45Å; Y697-W701 HydrophobicContact CD2-CE3 3.45Å; Y697-W701 VanDerWaalsContact CD2-CE3 3.45Å; Y697-W701 AromaticContact CD2-CZ3 3.7Å; Y697-W701 HydrophobicContact CD2-CZ3 3.7Å; Y697-W701 AromaticContact CE2-CE3 3.65Å; Y697-W701 HydrophobicContact CE2-CE3 3.65Å; Y697-W701 HydrophobicContact CE2-CH2 4.38Å; Y697-W701 AromaticContact CE2-CZ3 3.37Å; Y697-W701 HydrophobicContact CE2-CZ3 3.37Å; Y697-W701 HydrophobicContact CG-CE3 4.23Å
698	M	64.6	Low	67.2	Low	13 Å²	13	64.5 Å²	64.5	6%	0.064	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	46	177.6	-67	-64.1	171.1	0	0	114.7	Y638 H642 Q694 L695 R700 R731	Y638-M698 HydrophobicContact CE2-SD 4.49Å; H642-M698 WeakPolarHBondContact NE2-CE 3.18Å; H642-M698 PolarHBondContact NE2-SD 2.83Å; H642-M698 VanDerWaalsContact NE2-SD 3.43Å; Q694-M698 WeakPolarHBondContact O-CA 3.43Å; Q694-M698 PolarHBondContact O-N 3.44Å; L695-M698 PolarHBondContact O-N 3.13Å; M698-R700 PolarHBondContact O-N 2.89Å; M698-R700 VanDerWaalsContact O-N 3.15Å; M698-R731 VanDerWaalsContact CE-NE 3.32Å
699	G	55.6	Low	65.8	Low	43 Å²	43	74.4 Å²	74.4	44%	0.443	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	6.8	-179.6	0	0	0	0	0	115.2	Q694 Y697 W701	Q694-G699 PolarHBondContact O-N 3.43Å; Y697-G699 VanDerWaalsContact C-N 3.32Å; Y697-G699 PolarHBondContact O-N 3.01Å; G699-W701 PolarHBondContact O-N 3.45Å
700	R	55.8	Low	64.7	Low	76 Å²	76	76.7 Å²	76.7	29%	0.287	39%	0.39	S	S	.	.			trans	-71.4	-8.2	-175.4	-61.7	164.5	-162.7	168.4	4.1	113.9	Y697 M698 Y728	Y697-R700 WeakPolarHBondContact O-CB 3.3Å; Y697-R700 WeakPolarHBondContact O-CD 3.26Å; Y697-R700 WeakPolarHBondContact O-CG 3.47Å; Y697-R700 PolarHBondContact O-N 3.24Å; M698-R700 PolarHBondContact O-N 2.89Å; M698-R700 VanDerWaalsContact O-N 3.15Å; R700-Y728 PolarHBondContact NH1-OH 3.47Å
701	W	48.8	Very low	63.6	Low	49 Å²	49	75.3 Å²	75.3	19%	0.186	38%	0.382	C	S	.	.			trans	-104.9	96	-171.2	-147.6	-20.5	0	0	0	112.2	T693 Q694 Y697 G699 I711	T693-W701 HydrophobicContact CG2-CD2 4.32Å; T693-W701 HydrophobicContact CG2-CE3 3.33Å; T693-W701 HydrophobicContact CG2-CZ3 3.51Å; Q694-W701 PolarHBondContact NE2-O 2.94Å; Q694-W701 PolarHBondContact OE1-O 2.93Å; Y697-W701 AromaticContact CD2-CE3 3.45Å; Y697-W701 HydrophobicContact CD2-CE3 3.45Å; Y697-W701 VanDerWaalsContact CD2-CE3 3.45Å; Y697-W701 AromaticContact CD2-CZ3 3.7Å; Y697-W701 HydrophobicContact CD2-CZ3 3.7Å; Y697-W701 AromaticContact CE2-CE3 3.65Å; Y697-W701 HydrophobicContact CE2-CE3 3.65Å; Y697-W701 HydrophobicContact CE2-CH2 4.38Å; Y697-W701 AromaticContact CE2-CZ3 3.37Å; Y697-W701 HydrophobicContact CE2-CZ3 3.37Å; Y697-W701 HydrophobicContact CG-CE3 4.23Å; G699-W701 PolarHBondContact O-N 3.45Å; W701-I711 HydrophobicContact CH2-CD1 4.49Å; W701-I711 HydrophobicContact CH2-CG1 3.78Å; W701-I711 HydrophobicContact CZ2-CD1 4.47Å; W701-I711 HydrophobicContact CZ2-CG1 3.61Å
702	R	49.9	Very low	62.6	Low	145 Å²	145	75.3 Å²	75.3	55%	0.547	39%	0.386	S	S	.	.			trans	-64	138	171.1	-86.9	-173.2	168	132.3	-2.2	111.3	D460 D704	D460-R702 IonicContact OD2-NH1 2.71Å; R702-D704 VanDerWaalsContact C-N 3.27Å; R702-D704 WeakPolarHBondContact CB-OD1 3.21Å; R702-D704 PolarHBondContact O-N 3.02Å
703	L	49.9	Very low	61.5	Low	111 Å²	111	81.9 Å²	81.9	58%	0.581	41%	0.409	S	S	*	.			trans	-83.5	62.8	-178.9	-65.8	176.9	0	0	0	112.1	L690 I707	L690-L703 HydrophobicContact CD2-CD2 4.08Å; L703-I707 HydrophobicContact CB-CD1 4.13Å; L703-I707 HydrophobicContact CD2-CD1 3.85Å
704	D	56.6	Low	60.8	Low	59 Å²	59	81.7 Å²	81.7	32%	0.316	41%	0.408	S	S	.	.			trans	-81.1	155.9	-179.7	-51.5	-29	0	0	0	111.9	R702 G706 I707 R710	R702-D704 VanDerWaalsContact C-N 3.27Å; R702-D704 WeakPolarHBondContact CB-OD1 3.21Å; R702-D704 PolarHBondContact O-N 3.02Å; D704-G706 PolarHBondContact O-N 3.32Å; D704-I707 WeakPolarHBondContact O-CD1 3.23Å; D704-I707 WeakPolarHBondContact O-CG1 3.48Å; D704-I707 PolarHBondContact O-N 3.39Å; D704-R710 IonicContact OD2-CZ 3.31Å; D704-R710 VanDerWaalsContact OD2-CZ 3.23Å; D704-R710 IonicContact OD2-NH1 2.84Å; D704-R710 PolarHBondContact OD2-NH1 3.04Å; D704-R710 IonicContact OD2-NH2 3.57Å; D704-R710 PolarHBondContact OD2-NH2 2.88Å
705	A	52.3	Low	60.2	Low	119 Å²	119	83.6 Å²	83.6	98%	0.983	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-15.7	174.1	0	0	0	0	0	114.6
706	G	58.6	Low	59.5	Low	33 Å²	33	87.6 Å²	87.6	34%	0.34	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	0.5	173.2	0	0	0	0	0	116.3	D704 M708 R709 R710	D704-G706 PolarHBondContact O-N 3.32Å; G706-M708 PolarHBondContact O-N 3.3Å; G706-R709 PolarHBondContact O-N 3.12Å; G706-R709 VanDerWaalsContact O-N 3.13Å; G706-R710 PolarHBondContact O-N 3.03Å
707	I	63.1	Low	58.8	Low	46 Å²	46	87.9 Å²	87.9	24%	0.236	43%	0.434	C	S	.	.	H	α-helix	trans	-43.6	-57.4	-177	-78.2	154.9	0	0	0	112.4	L703 D704 R709 R710 I711	L703-I707 HydrophobicContact CB-CD1 4.13Å; L703-I707 HydrophobicContact CD2-CD1 3.85Å; D704-I707 WeakPolarHBondContact O-CD1 3.23Å; D704-I707 WeakPolarHBondContact O-CG1 3.48Å; D704-I707 PolarHBondContact O-N 3.39Å; I707-R709 VanDerWaalsContact C-N 3.25Å; I707-R709 PolarHBondContact O-N 2.9Å; I707-R710 PolarHBondContact O-N 3.16Å; I707-I711 HydrophobicContact CG2-CD1 3.46Å; I707-I711 VanDerWaalsContact CG2-CD1 3.46Å; I707-I711 HydrophobicContact CG2-CG1 4.11Å; I707-I711 WeakPolarHBondContact O-CG1 3.48Å; I707-I711 PolarHBondContact O-N 3.31Å
708	M	56.5	Low	58.2	Low	140 Å²	140	87.5 Å²	87.5	69%	0.69	44%	0.437	S	S	*	.	H	α-helix	trans	-60.1	-37.5	-172.8	-63.4	-61.9	-69.9	0	0	112	G706 V712	G706-M708 PolarHBondContact O-N 3.3Å; M708-V712 WeakPolarHBondContact O-CB 3.2Å; M708-V712 WeakPolarHBondContact O-CG2 3.5Å; M708-V712 PolarHBondContact O-N 3.12Å
709	R	59.1	Low	57.7	Low	222 Å²	222	91 Å²	91	84%	0.838	46%	0.461	S	S	*	.	H	α-helix	trans	-71.2	-35.5	177.8	-162.4	175.4	-175.7	-175.4	1.1	111.9	G706 I707 Y713	G706-R709 PolarHBondContact O-N 3.12Å; G706-R709 VanDerWaalsContact O-N 3.13Å; I707-R709 VanDerWaalsContact C-N 3.25Å; I707-R709 PolarHBondContact O-N 2.9Å; R709-Y713 VanDerWaalsContact O-CB 3.28Å; R709-Y713 WeakPolarHBondContact O-CB 3.34Å; R709-Y713 PolarHBondContact O-N 2.88Å; R709-Y713 VanDerWaalsContact O-N 3.12Å
710	R	64.8	Low	57.7	Low	116 Å²	116	94.3 Å²	94.3	44%	0.438	47%	0.468	S	S	.	.	H	α-helix	trans	-70.4	-43.2	172.7	-68.7	-172.2	-171.8	139.8	2.6	112.1	D704 G706 I707 Y713 V714	D704-R710 IonicContact OD2-CZ 3.31Å; D704-R710 VanDerWaalsContact OD2-CZ 3.23Å; D704-R710 IonicContact OD2-NH1 2.84Å; D704-R710 PolarHBondContact OD2-NH1 3.04Å; D704-R710 IonicContact OD2-NH2 3.57Å; D704-R710 PolarHBondContact OD2-NH2 2.88Å; G706-R710 PolarHBondContact O-N 3.03Å; I707-R710 PolarHBondContact O-N 3.16Å; R710-Y713 PolarHBondContact O-N 2.83Å; R710-V714 WeakPolarHBondContact O-CB 3.21Å; R710-V714 WeakPolarHBondContact O-CG2 3.29Å; R710-V714 PolarHBondContact O-N 2.82Å
711	I	61.3	Low	57.4	Low	57 Å²	57	99.9 Å²	99.9	29%	0.292	49%	0.489	S	S	.	.	H	α-helix	trans	-59.1	-51.6	177.1	-71.5	177.4	0	0	0	110.4	W701 I707 Y713 V714 I715	W701-I711 HydrophobicContact CH2-CD1 4.49Å; W701-I711 HydrophobicContact CH2-CG1 3.78Å; W701-I711 HydrophobicContact CZ2-CD1 4.47Å; W701-I711 HydrophobicContact CZ2-CG1 3.61Å; I707-I711 HydrophobicContact CG2-CD1 3.46Å; I707-I711 VanDerWaalsContact CG2-CD1 3.46Å; I707-I711 HydrophobicContact CG2-CG1 4.11Å; I707-I711 WeakPolarHBondContact O-CG1 3.48Å; I707-I711 PolarHBondContact O-N 3.31Å; I711-Y713 VanDerWaalsContact C-N 3.31Å; I711-Y713 PolarHBondContact O-N 3.34Å; I711-V714 PolarHBondContact O-N 3.16Å; I711-I715 HydrophobicContact CG2-CD1 3.67Å; I711-I715 HydrophobicContact CG2-CG1 4.47Å; I711-I715 WeakPolarHBondContact O-CG1 3.43Å; I711-I715 PolarHBondContact O-N 3.03Å
712	V	60.8	Low	57.6	Low	97 Å²	97	103.8 Å²	103.8	59%	0.588	51%	0.509	S	S	*	.	H	α-helix	trans	-61.2	-40.3	178.3	171.1	0	0	0	0	111.2	M708 Y716	M708-V712 WeakPolarHBondContact O-CB 3.2Å; M708-V712 WeakPolarHBondContact O-CG2 3.5Å; M708-V712 PolarHBondContact O-N 3.12Å; V712-Y716 WeakPolarHBondContact O-CB 3.16Å; V712-Y716 PolarHBondContact O-N 3.06Å
713	Y	61.1	Low	57.8	Low	156 Å²	156	102.3 Å²	102.3	61%	0.612	52%	0.52	S	S	*	.	H	α-helix	trans	-64.2	-46	177.4	-167.5	-90	0	0	0	112.6	R709 R710 I711 Y716 T717	R709-Y713 VanDerWaalsContact O-CB 3.28Å; R709-Y713 WeakPolarHBondContact O-CB 3.34Å; R709-Y713 PolarHBondContact O-N 2.88Å; R709-Y713 VanDerWaalsContact O-N 3.12Å; R710-Y713 PolarHBondContact O-N 2.83Å; I711-Y713 VanDerWaalsContact C-N 3.31Å; I711-Y713 PolarHBondContact O-N 3.34Å; Y713-Y716 PolarHBondContact O-N 3.22Å; Y713-T717 HydrophobicContact CD1-CG2 4.14Å; Y713-T717 HydrophobicContact CE1-CG2 3.81Å; Y713-T717 PolarHBondContact O-N 3.35Å; Y713-T717 PolarHBondContact O-OG1 3.06Å
714	V	62.2	Low	58.1	Low	47 Å²	47	100 Å²	100	29%	0.285	51%	0.513	S	S	.	.	H	α-helix	trans	-66.5	-40.4	179.1	170.4	0	0	0	0	111.8	R710 I711 Y716 T717 D718	R710-V714 WeakPolarHBondContact O-CB 3.21Å; R710-V714 WeakPolarHBondContact O-CG2 3.29Å; R710-V714 PolarHBondContact O-N 2.82Å; I711-V714 PolarHBondContact O-N 3.16Å; V714-Y716 VanDerWaalsContact C-N 3.3Å; V714-Y716 PolarHBondContact O-N 3.44Å; V714-T717 WeakPolarHBondContact CA-OG1 3.27Å; V714-T717 PolarHBondContact O-N 2.87Å; V714-T717 PolarHBondContact O-OG1 3.06Å; V714-D718 VanDerWaalsContact O-CB 3.27Å; V714-D718 WeakPolarHBondContact O-CB 3.42Å; V714-D718 PolarHBondContact O-N 3.11Å
715	I	62.7	Low	58.1	Low	90 Å²	90	100 Å²	100	46%	0.462	53%	0.527	S	S	.	.	I	π-helix	trans	-63.9	-39.4	173.7	-67.2	170.7	0	0	0	110.4	I711 C719 I720	I711-I715 HydrophobicContact CG2-CD1 3.67Å; I711-I715 HydrophobicContact CG2-CG1 4.47Å; I711-I715 WeakPolarHBondContact O-CG1 3.43Å; I711-I715 PolarHBondContact O-N 3.03Å; I715-C719 HydrophobicContact CG2-CB 4.46Å; I715-C719 VanDerWaalsContact O-CB 3.31Å; I715-C719 WeakPolarHBondContact O-CB 3.19Å; I715-C719 PolarHBondContact O-N 3.43Å; I715-C719 VanDerWaalsContact O-N 3.13Å; I715-I720 PolarHBondContact O-N 3.19Å
716	Y	61.2	Low	58.7	Low	139 Å²	139	97.3 Å²	97.3	55%	0.545	50%	0.5	S	S	.	.	I	π-helix	trans	-69.8	-34.6	178.3	-171	-96.6	0	0	0	113.3	V712 Y713 V714 I720 R721	V712-Y716 WeakPolarHBondContact O-CB 3.16Å; V712-Y716 PolarHBondContact O-N 3.06Å; Y713-Y716 PolarHBondContact O-N 3.22Å; V714-Y716 VanDerWaalsContact C-N 3.3Å; V714-Y716 PolarHBondContact O-N 3.44Å; Y716-I720 HydrophobicContact CD2-CD1 4.06Å; Y716-I720 HydrophobicContact CD2-CG2 4.46Å; Y716-I720 HydrophobicContact CE2-CG2 4.42Å; Y716-I720 WeakPolarHBondContact O-CB 3.39Å; Y716-R721 WeakPolarHBondContact O-CB 3.4Å; Y716-R721 PolarHBondContact O-N 2.94Å
717	T	60.8	Low	58.8	Low	20 Å²	20	101.6 Å²	101.6	12%	0.123	51%	0.512	C	S	.	.	I	π-helix	trans	-75.7	-54.1	173	50	0	0	0	0	111.8	Y713 V714 R721 Q722	Y713-T717 HydrophobicContact CD1-CG2 4.14Å; Y713-T717 HydrophobicContact CE1-CG2 3.81Å; Y713-T717 PolarHBondContact O-N 3.35Å; Y713-T717 PolarHBondContact O-OG1 3.06Å; V714-T717 WeakPolarHBondContact CA-OG1 3.27Å; V714-T717 PolarHBondContact O-N 2.87Å; V714-T717 PolarHBondContact O-OG1 3.06Å; T717-R721 CarbonylContact O-C 3.5Å; T717-R721 WeakPolarHBondContact O-CA 3.37Å; T717-R721 VanDerWaalsContact O-CB 3.31Å; T717-R721 WeakPolarHBondContact O-CB 3.34Å; T717-R721 PolarHBondContact O-N 3.37Å; T717-R721 VanDerWaalsContact O-N 3.13Å; T717-Q722 PolarHBondContact O-N 2.04Å
718	D	56.6	Low	59.1	Low	59 Å²	59	100.9 Å²	100.9	32%	0.316	51%	0.507	S	S	.	.	I	π-helix	trans	-83.2	-41.7	-161.6	-61.2	19	0	0	0	111.3	V714 C723 S724	V714-D718 VanDerWaalsContact O-CB 3.27Å; V714-D718 WeakPolarHBondContact O-CB 3.42Å; V714-D718 PolarHBondContact O-N 3.11Å; D718-C723 PolarHBondContact O-N 3.38Å; D718-C723 VanDerWaalsContact O-N 3.13Å; D718-S724 PolarHBondContact O-N 3.3Å; D718-S724 PolarHBondContact O-OG 3.43Å
719	C	54.7	Low	60	Low	86 Å²	86	99.3 Å²	99.3	58%	0.581	50%	0.5	S	S	*	.	I	π-helix	trans	-85.9	-44.7	178.8	-61.2	0	0	0	0	112.4	I715	I715-C719 HydrophobicContact CG2-CB 4.46Å; I715-C719 VanDerWaalsContact O-CB 3.31Å; I715-C719 WeakPolarHBondContact O-CB 3.19Å; I715-C719 PolarHBondContact O-N 3.43Å; I715-C719 VanDerWaalsContact O-N 3.13Å
720	I	54.2	Low	60.7	Low	113 Å²	113	91.4 Å²	91.4	58%	0.579	47%	0.474	S	S	*	.	I	π-helix	trans	-90	-36	-172.2	-62.2	175.6	0	0	0	112.6	I715 Y716	I715-I720 PolarHBondContact O-N 3.19Å; Y716-I720 HydrophobicContact CD2-CD1 4.06Å; Y716-I720 HydrophobicContact CD2-CG2 4.46Å; Y716-I720 HydrophobicContact CE2-CG2 4.42Å; Y716-I720 WeakPolarHBondContact O-CB 3.39Å
721	R	49.6	Very low	61.3	Low	193 Å²	193	87 Å²	87	73%	0.728	46%	0.458	S	S	*	.	I	π-helix	trans	-101.9	-26.7	-172.7	-159.1	178.2	-174.4	-176.4	1.9	115	Y716 T717	Y716-R721 WeakPolarHBondContact O-CB 3.4Å; Y716-R721 PolarHBondContact O-N 2.94Å; T717-R721 CarbonylContact O-C 3.5Å; T717-R721 WeakPolarHBondContact O-CA 3.37Å; T717-R721 VanDerWaalsContact O-CB 3.31Å; T717-R721 WeakPolarHBondContact O-CB 3.34Å; T717-R721 PolarHBondContact O-N 3.37Å; T717-R721 VanDerWaalsContact O-N 3.13Å
722	Q	54.3	Low	62.3	Low	132 Å²	132	87.5 Å²	87.5	62%	0.617	46%	0.46	S	S	*	.	S	Bend	trans	-120.7	-11.4	-174.5	-69.9	177.3	-113.9	0	0	114.6	T717 S724	T717-Q722 PolarHBondContact O-N 2.04Å; Q722-S724 PolarHBondContact O-N 2.94Å
723	C	53.3	Low	63.3	Low	113 Å²	113	87.1 Å²	87.1	76%	0.764	46%	0.457	S	S	*	.			trans	50.3	27.9	179	-65.6	0	0	0	0	114.1	D718	D718-C723 PolarHBondContact O-N 3.38Å; D718-C723 VanDerWaalsContact O-N 3.13Å
724	S	56	Low	64.2	Low	63 Å²	63	81 Å²	81	44%	0.441	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-84.1	122.8	-172.6	43.3	0	0	0	0	111	D718 Q722	D718-S724 PolarHBondContact O-N 3.3Å; D718-S724 PolarHBondContact O-OG 3.43Å; Q722-S724 PolarHBondContact O-N 2.94Å
725	G	57.9	Low	65.3	Low	60 Å²	60	79.8 Å²	79.8	62%	0.619	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-61	160.2	177.2	0	0	0	0	0	113.6	M727	G725-M727 PolarHBondContact O-N 2.87Å
726	P	63.4	Low	66.5	Low	62 Å²	62	79 Å²	79	40%	0.403	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-61	125	-171.8	22.5	-31.9	0	0	0	112.2	Y696 Y728 I729 M732	Y696-P726 WeakPolarHBondContact OH-CB 3.27Å; P726-Y728 PolarHBondContact O-N 2.88Å; P726-I729 HydrophobicContact CG-CG1 4.27Å; P726-I729 WeakPolarHBondContact O-CG1 3.3Å; P726-I729 PolarHBondContact O-N 2.92Å; P726-M732 HydrophobicContact CB-CB 4.46Å; P726-M732 HydrophobicContact CB-CE 3.98Å; P726-M732 HydrophobicContact CB-CG 4.44Å
727	M	61.7	Low	67.8	Low	123 Å²	123	77.1 Å²	77.1	61%	0.606	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.4	-35.9	-176.2	-170	-176.7	-63.7	0	0	114.7	Y696 G725	Y696-M727 PolarHBondContact OH-N 3.31Å; Y696-M727 VanDerWaalsContact OH-N 3.1Å; G725-M727 PolarHBondContact O-N 2.87Å
728	Y	69.1	Low	69.1	Low	30 Å²	30	76.7 Å²	76.7	12%	0.118	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.7	75.7	177.6	-52.3	-62.1	0	0	0	111.1	Y696 R700 P726 D730 R731 M732	Y696-Y728 HydrophobicContact CE2-CD2 4.44Å; Y696-Y728 PolarHBondContact OH-N 2.95Å; R700-Y728 PolarHBondContact NH1-OH 3.47Å; P726-Y728 PolarHBondContact O-N 2.88Å; Y728-D730 VanDerWaalsContact C-N 3.29Å; Y728-D730 PolarHBondContact O-N 3.08Å; Y728-R731 PolarHBondContact O-N 3.38Å; Y728-R731 VanDerWaalsContact O-N 3.1Å; Y728-M732 PolarHBondContact O-N 2.86Å
729	I	75.1	Confident	70.8	Confident	108 Å²	108	74.5 Å²	74.5	55%	0.554	41%	0.412	S	S	*	.	H	α-helix	trans	-46.1	-49.8	-177.7	-60.5	176.2	0	0	0	112.4	P726 R731 M732 V733	P726-I729 HydrophobicContact CG-CG1 4.27Å; P726-I729 WeakPolarHBondContact O-CG1 3.3Å; P726-I729 PolarHBondContact O-N 2.92Å; I729-R731 VanDerWaalsContact C-N 3.33Å; I729-R731 PolarHBondContact O-N 3.38Å; I729-M732 WeakPolarHBondContact O-CB 3.46Å; I729-M732 PolarHBondContact O-N 3.03Å; I729-M732 VanDerWaalsContact O-N 3.09Å; I729-V733 HydrophobicContact CG2-CG2 4.45Å; I729-V733 WeakPolarHBondContact O-CG2 3.36Å; I729-V733 PolarHBondContact O-N 2.89Å
730	D	74.1	Confident	72.6	Confident	55 Å²	55	74.9 Å²	74.9	29%	0.294	41%	0.407	S	S	.	.	H	α-helix	trans	-64.3	-36	-175.4	-63.2	-41.3	0	0	0	113.2	Y728 L734 M779 R782	Y728-D730 VanDerWaalsContact C-N 3.29Å; Y728-D730 PolarHBondContact O-N 3.08Å; D730-L734 PolarHBondContact O-N 2.95Å; D730-M779 HydrophobicContact CB-CE 3.85Å; D730-M779 HydrophobicContact CB-SD 3.93Å; D730-R782 VanDerWaalsContact CG-NH1 3.32Å; D730-R782 IonicContact OD1-CZ 2.74Å; D730-R782 IonicContact OD1-NH1 2.91Å; D730-R782 PolarHBondContact OD1-NH1 3.37Å; D730-R782 IonicContact OD1-NH2 2.73Å; D730-R782 PolarHBondContact OD1-NH2 2.92Å; D730-R782 IonicContact OD2-CZ 3.66Å; D730-R782 IonicContact OD2-NH1 2.75Å; D730-R782 IonicContact OD2-NH2 3.68Å; D730-R782 PolarHBondContact OD2-NH2 3.28Å
731	R	77.6	Confident	74.5	Confident	24 Å²	24	71.7 Å²	71.7	9%	0.091	39%	0.393	C	S	.	.	H	α-helix	trans	-69.2	-40.7	172.6	-65.6	-179.4	175.2	128.2	6.6	111.3	Y696 M698 Y728 I729 V733 L734 L735 V874 F875	Y696-R731 HydrophobicContact CD2-CB 4.09Å; Y696-R731 HydrophobicContact CE2-CB 4.46Å; M698-R731 VanDerWaalsContact CE-NE 3.32Å; Y728-R731 PolarHBondContact O-N 3.38Å; Y728-R731 VanDerWaalsContact O-N 3.1Å; I729-R731 VanDerWaalsContact C-N 3.33Å; I729-R731 PolarHBondContact O-N 3.38Å; R731-V733 PolarHBondContact O-N 2.86Å; R731-L734 PolarHBondContact O-N 3.18Å; R731-L735 WeakPolarHBondContact O-CB 3.44Å; R731-L735 VanDerWaalsContact O-CG 3.26Å; R731-L735 WeakPolarHBondContact O-CG 3.4Å; R731-L735 PolarHBondContact O-N 3.41Å; R731-V874 PolarHBondContact NH2-O 3.43Å; R731-F875 VanDerWaalsContact CZ-OXT 3.24Å; R731-F875 PolarHBondContact NE-OXT 3.34Å; R731-F875 VanDerWaalsContact NH2-C 3.28Å; R731-F875 PolarHBondContact NH2-OXT 3.49Å
732	M	81.7	Confident	76.6	Confident	68 Å²	68	62.7 Å²	62.7	34%	0.335	36%	0.359	S	S	.	.	H	α-helix	trans	-60.9	-44.9	178.6	-172.8	63.8	80.2	0	0	111.1	Y696 P726 Y728 I729 L734 L735 V736	Y696-M732 HydrophobicContact CD2-CE 4.22Å; Y696-M732 HydrophobicContact CE1-CE 4.12Å; Y696-M732 HydrophobicContact CE2-CB 4.03Å; Y696-M732 HydrophobicContact CE2-CE 3.74Å; P726-M732 HydrophobicContact CB-CB 4.46Å; P726-M732 HydrophobicContact CB-CE 3.98Å; P726-M732 HydrophobicContact CB-CG 4.44Å; Y728-M732 PolarHBondContact O-N 2.86Å; I729-M732 WeakPolarHBondContact O-CB 3.46Å; I729-M732 PolarHBondContact O-N 3.03Å; I729-M732 VanDerWaalsContact O-N 3.09Å; M732-L734 PolarHBondContact O-N 2.54Å; M732-L735 PolarHBondContact O-N 3.24Å; M732-V736 HydrophobicContact CG-CG2 4.34Å; M732-V736 WeakPolarHBondContact O-CB 3.49Å; M732-V736 VanDerWaalsContact O-CG2 3.31Å; M732-V736 WeakPolarHBondContact O-CG2 3.3Å; M732-V736 PolarHBondContact O-N 3.46Å; M732-V736 HydrophobicContact SD-CG2 4.24Å
733	V	81.8	Confident	78.6	Confident	88 Å²	88	61.7 Å²	61.7	53%	0.533	35%	0.35	S	S	.	.	H	α-helix	trans	-60.3	-45	178.3	173.5	0	0	0	0	111.6	I729 R731 M737	I729-V733 HydrophobicContact CG2-CG2 4.45Å; I729-V733 WeakPolarHBondContact O-CG2 3.36Å; I729-V733 PolarHBondContact O-N 2.89Å; R731-V733 PolarHBondContact O-N 2.86Å; V733-M737 WeakPolarHBondContact O-CB 3.32Å; V733-M737 PolarHBondContact O-N 2.92Å; V733-M737 VanDerWaalsContact O-N 3.07Å
734	L	81.1	Confident	80.5	Confident	27 Å²	27	59.7 Å²	59.7	14%	0.141	34%	0.337	C	S	.	.	H	α-helix	trans	-59.2	-51	174.5	178	67.2	0	0	0	111.6	D730 R731 M732 V736 M737 G738 Y772 F775	D730-L734 PolarHBondContact O-N 2.95Å; R731-L734 PolarHBondContact O-N 3.18Å; M732-L734 PolarHBondContact O-N 2.54Å; L734-V736 VanDerWaalsContact C-N 3.32Å; L734-V736 PolarHBondContact O-N 2.76Å; L734-M737 WeakPolarHBondContact O-CB 3.47Å; L734-M737 PolarHBondContact O-N 2.87Å; L734-G738 PolarHBondContact O-N 2.83Å; L734-Y772 HydrophobicContact CD2-CD2 4.3Å; L734-F775 HydrophobicContact CB-CD2 3.75Å; L734-F775 HydrophobicContact CB-CE2 3.82Å; L734-F775 HydrophobicContact CB-CG 4.39Å; L734-F775 HydrophobicContact CD1-CB 3.66Å; L734-F775 HydrophobicContact CD1-CD2 3.9Å; L734-F775 HydrophobicContact CD1-CG 3.94Å; L734-F775 HydrophobicContact CD2-CB 3.86Å; L734-F775 HydrophobicContact CD2-CD1 3.59Å; L734-F775 HydrophobicContact CD2-CD2 3.65Å; L734-F775 HydrophobicContact CD2-CE1 3.94Å; L734-F775 HydrophobicContact CD2-CE2 3.98Å; L734-F775 HydrophobicContact CD2-CG 3.42Å; L734-F775 VanDerWaalsContact CD2-CG 3.42Å; L734-F775 HydrophobicContact CD2-CZ 4.11Å; L734-F775 HydrophobicContact CG-CB 4.3Å; L734-F775 HydrophobicContact CG-CD2 3.93Å; L734-F775 HydrophobicContact CG-CE2 4.38Å; L734-F775 HydrophobicContact CG-CG 4.08Å
735	L	84.9	Confident	82.3	Confident	22 Å²	22	58.3 Å²	58.3	12%	0.115	33%	0.325	C	S	.	.	H	α-helix	trans	-69.4	-33.3	-171.7	-68	171.2	0	0	0	111.6	S692 L695 Y696 R731 M732 G738 N739	S692-L735 WeakPolarHBondContact O-CD1 3.27Å; L695-L735 HydrophobicContact CB-CD1 4.41Å; L695-L735 HydrophobicContact CB-CD2 4.25Å; L695-L735 HydrophobicContact CD1-CD2 4.22Å; Y696-L735 HydrophobicContact CD2-CD1 4.26Å; Y696-L735 HydrophobicContact CG-CD1 4.41Å; R731-L735 WeakPolarHBondContact O-CB 3.44Å; R731-L735 VanDerWaalsContact O-CG 3.26Å; R731-L735 WeakPolarHBondContact O-CG 3.4Å; R731-L735 PolarHBondContact O-N 3.41Å; M732-L735 PolarHBondContact O-N 3.24Å; L735-G738 PolarHBondContact O-N 3.27Å; L735-N739 WeakPolarHBondContact O-CB 3.29Å; L735-N739 PolarHBondContact O-N 3.03Å; L735-N739 PolarHBondContact O-ND2 2.86Å
736	V	87.3	Confident	84	Confident	75 Å²	75	55.6 Å²	55.6	46%	0.455	30%	0.296	S	S	.	.	H	α-helix	trans	-63	-48.1	169.2	170.4	0	0	0	0	110.8	M732 L734 G738 N739 I740	M732-V736 HydrophobicContact CG-CG2 4.34Å; M732-V736 WeakPolarHBondContact O-CB 3.49Å; M732-V736 VanDerWaalsContact O-CG2 3.31Å; M732-V736 WeakPolarHBondContact O-CG2 3.3Å; M732-V736 PolarHBondContact O-N 3.46Å; M732-V736 HydrophobicContact SD-CG2 4.24Å; L734-V736 VanDerWaalsContact C-N 3.32Å; L734-V736 PolarHBondContact O-N 2.76Å; V736-G738 VanDerWaalsContact C-N 3.35Å; V736-G738 PolarHBondContact O-N 2.57Å; V736-N739 PolarHBondContact O-N 3.12Å; V736-I740 HydrophobicContact CG1-CD1 3.81Å; V736-I740 VanDerWaalsContact O-CG1 3.3Å; V736-I740 WeakPolarHBondContact O-CG1 3.46Å; V736-I740 PolarHBondContact O-N 3.21Å
737	M	87.9	Confident	85.4	Confident	98 Å²	98	54.9 Å²	54.9	48%	0.483	30%	0.296	S	S	.	.	H	α-helix	trans	-59	-44.6	175.9	-176	-171.7	-66.4	0	0	112	V733 L734 I740 V741 L771	V733-M737 WeakPolarHBondContact O-CB 3.32Å; V733-M737 PolarHBondContact O-N 2.92Å; V733-M737 VanDerWaalsContact O-N 3.07Å; L734-M737 WeakPolarHBondContact O-CB 3.47Å; L734-M737 PolarHBondContact O-N 2.87Å; M737-I740 PolarHBondContact O-N 3.37Å; M737-V741 WeakPolarHBondContact O-CG2 3.32Å; M737-V741 PolarHBondContact O-N 3.32Å; M737-L771 HydrophobicContact SD-CD2 4.19Å
738	G	88.3	Confident	86.9	Confident	12 Å²	12	55.1 Å²	55.1	12%	0.124	29%	0.291	C	S	.	.	H	α-helix	trans	-62.1	-43.4	177.2	0	0	0	0	0	112.6	L734 L735 V736 V741 N742	L734-G738 PolarHBondContact O-N 2.83Å; L735-G738 PolarHBondContact O-N 3.27Å; V736-G738 VanDerWaalsContact C-N 3.35Å; V736-G738 PolarHBondContact O-N 2.57Å; G738-V741 PolarHBondContact O-N 3.02Å; G738-N742 WeakPolarHBondContact O-CB 3.28Å; G738-N742 PolarHBondContact O-N 3.35Å; G738-N742 PolarHBondContact O-ND2 3.48Å
739	N	92.2	Very high	88	Confident	13 Å²	13	53.7 Å²	53.7	7%	0.07	29%	0.285	C	S	.	.	H	α-helix	trans	-63.7	-44.2	174.5	-82.2	-81.8	0	0	0	111.5	S692 L735 V736 V741 N742 W743	S692-N739 WeakPolarHBondContact CB-ND2 3.39Å; S692-N739 PolarHBondContact OG-ND2 2.76Å; L735-N739 WeakPolarHBondContact O-CB 3.29Å; L735-N739 PolarHBondContact O-N 3.03Å; L735-N739 PolarHBondContact O-ND2 2.86Å; V736-N739 PolarHBondContact O-N 3.12Å; N739-V741 VanDerWaalsContact C-N 3.32Å; N739-V741 PolarHBondContact O-N 3.23Å; N739-N742 PolarHBondContact O-N 2.96Å; N739-W743 HydrophobicContact CB-CD2 4.39Å; N739-W743 HydrophobicContact CB-CH2 4.42Å; N739-W743 HydrophobicContact CB-CZ2 3.78Å; N739-W743 WeakPolarHBondContact O-CB 3.24Å; N739-W743 PolarHBondContact O-N 3.48Å; N739-W743 PolarHBondContact OD1-NE1 2.91Å
740	I	93.4	Very high	88.7	Confident	93 Å²	93	51.5 Å²	51.5	48%	0.477	27%	0.274	S	S	.	.	H	α-helix	trans	-56.8	-44.9	176.7	-69.3	164.8	0	0	0	111.4	V736 M737 S744	V736-I740 HydrophobicContact CG1-CD1 3.81Å; V736-I740 VanDerWaalsContact O-CG1 3.3Å; V736-I740 WeakPolarHBondContact O-CG1 3.46Å; V736-I740 PolarHBondContact O-N 3.21Å; M737-I740 PolarHBondContact O-N 3.37Å; I740-S744 WeakPolarHBondContact O-CB 3.33Å; I740-S744 PolarHBondContact O-N 2.94Å; I740-S744 PolarHBondContact O-OG 2.94Å
741	V	93.6	Very high	89.5	Confident	47 Å²	47	54 Å²	54	29%	0.285	29%	0.286	S	S	.	.	H	α-helix	trans	-65.9	-46.4	176.9	174.4	0	0	0	0	111.8	M737 G738 N739 W743 S744 L745 L771	M737-V741 WeakPolarHBondContact O-CG2 3.32Å; M737-V741 PolarHBondContact O-N 3.32Å; G738-V741 PolarHBondContact O-N 3.02Å; N739-V741 VanDerWaalsContact C-N 3.32Å; N739-V741 PolarHBondContact O-N 3.23Å; V741-W743 PolarHBondContact O-N 3.47Å; V741-S744 WeakPolarHBondContact O-CB 3.12Å; V741-S744 PolarHBondContact O-N 2.65Å; V741-L745 HydrophobicContact CG1-CD1 4.19Å; V741-L745 WeakPolarHBondContact O-CG 3.28Å; V741-L745 PolarHBondContact O-N 2.88Å; V741-L771 HydrophobicContact CB-CD1 4.03Å; V741-L771 HydrophobicContact CG1-CD1 4.05Å; V741-L771 HydrophobicContact CG2-CD1 4.13Å
742	N	94.6	Very high	90.1	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.021	31%	0.308	C	S	.	.	H	α-helix	trans	-63.7	-40.7	178.4	-78.8	-78.1	0	0	0	112.5	H684 T688 G738 N739 S744 L745 A746 N768	H684-N742 PolarHBondContact CE1-OD1 3.45Å; H684-N742 PolarHBondContact NE2-OD1 3.07Å; T688-N742 HydrophobicContact CG2-CB 3.9Å; G738-N742 WeakPolarHBondContact O-CB 3.28Å; G738-N742 PolarHBondContact O-N 3.35Å; G738-N742 PolarHBondContact O-ND2 3.48Å; N739-N742 PolarHBondContact O-N 2.96Å; N742-S744 VanDerWaalsContact C-N 3.32Å; N742-S744 PolarHBondContact O-N 2.85Å; N742-L745 PolarHBondContact O-N 2.77Å; N742-A746 WeakPolarHBondContact O-CB 3.41Å; N742-A746 PolarHBondContact O-N 2.73Å; N742-N768 PolarHBondContact ND2-OD1 3.2Å; N742-N768 PolarHBondContact OD1-ND2 3Å
743	W	94.5	Very high	90.4	Very high	111 Å²	111	59.3 Å²	59.3	42%	0.42	31%	0.308	S	S	.	.	H	α-helix	trans	-67.3	-34.2	176.2	-58	-7.5	0	0	0	111.8	L689 N739 V741 A746 A747	L689-W743 HydrophobicContact CD2-CZ2 3.93Å; L689-W743 HydrophobicContact CG-CZ2 4.27Å; N739-W743 HydrophobicContact CB-CD2 4.39Å; N739-W743 HydrophobicContact CB-CH2 4.42Å; N739-W743 HydrophobicContact CB-CZ2 3.78Å; N739-W743 WeakPolarHBondContact O-CB 3.24Å; N739-W743 PolarHBondContact O-N 3.48Å; N739-W743 PolarHBondContact OD1-NE1 2.91Å; V741-W743 PolarHBondContact O-N 3.47Å; W743-A746 PolarHBondContact O-N 2.75Å; W743-A747 WeakPolarHBondContact O-CB 3.19Å; W743-A747 PolarHBondContact O-N 2.81Å
744	S	94.4	Very high	90.6	Very high	71 Å²	71	56.8 Å²	56.8	50%	0.497	29%	0.293	S	S	.	.	H	α-helix	trans	-64.9	-42.1	172.6	-57.3	0	0	0	0	111.8	I740 V741 N742 A747 Y748	I740-S744 WeakPolarHBondContact O-CB 3.33Å; I740-S744 PolarHBondContact O-N 2.94Å; I740-S744 PolarHBondContact O-OG 2.94Å; V741-S744 WeakPolarHBondContact O-CB 3.12Å; V741-S744 PolarHBondContact O-N 2.65Å; N742-S744 VanDerWaalsContact C-N 3.32Å; N742-S744 PolarHBondContact O-N 2.85Å; S744-A747 PolarHBondContact O-N 2.84Å; S744-Y748 WeakPolarHBondContact O-CB 3.47Å; S744-Y748 PolarHBondContact O-N 2.99Å
745	L	93.6	Very high	90.6	Very high	34 Å²	34	58.9 Å²	58.9	18%	0.178	30%	0.304	C	S	.	.	H	α-helix	trans	-64.5	-41.9	174	-68.8	170.2	0	0	0	111.8	V741 N742 A747 Y748 G749 Y760 I764 C767	V741-L745 HydrophobicContact CG1-CD1 4.19Å; V741-L745 WeakPolarHBondContact O-CG 3.28Å; V741-L745 PolarHBondContact O-N 2.88Å; N742-L745 PolarHBondContact O-N 2.77Å; L745-A747 PolarHBondContact O-N 2.92Å; L745-Y748 WeakPolarHBondContact O-CB 3.44Å; L745-Y748 PolarHBondContact O-N 3Å; L745-G749 PolarHBondContact O-N 2.69Å; L745-Y760 PolarHBondContact O-OH 3.02Å; L745-Y760 VanDerWaalsContact O-OH 3.1Å; L745-I764 HydrophobicContact CB-CG1 4.29Å; L745-I764 HydrophobicContact CD1-CG1 4.01Å; L745-C767 HydrophobicContact CD1-CB 4.27Å
746	A	93.6	Very high	90.6	Very high	2 Å²	2	58.7 Å²	58.7	2%	0.017	30%	0.303	C	S	.	.	H	α-helix	trans	-62.7	-40.6	175.3	0	0	0	0	0	112.7	I685 N742 W743 G749 L750	I685-A746 HydrophobicContact CD1-CB 4.2Å; I685-A746 HydrophobicContact CG1-CB 4.13Å; N742-A746 WeakPolarHBondContact O-CB 3.41Å; N742-A746 PolarHBondContact O-N 2.73Å; W743-A746 PolarHBondContact O-N 2.75Å; A746-G749 PolarHBondContact O-N 3.23Å; A746-L750 WeakPolarHBondContact O-CB 3.3Å; A746-L750 PolarHBondContact O-N 3.31Å
747	A	93.1	Very high	90.6	Very high	48 Å²	48	55.1 Å²	55.1	40%	0.397	28%	0.282	S	S	.	.	H	α-helix	trans	-64.6	-45.4	174.4	0	0	0	0	0	111.6	W743 S744 L745 G749 L750 I751	W743-A747 WeakPolarHBondContact O-CB 3.19Å; W743-A747 PolarHBondContact O-N 2.81Å; S744-A747 PolarHBondContact O-N 2.84Å; L745-A747 PolarHBondContact O-N 2.92Å; A747-G749 PolarHBondContact O-N 3.48Å; A747-L750 PolarHBondContact O-N 3.08Å; A747-I751 WeakPolarHBondContact O-CD1 3.45Å; A747-I751 VanDerWaalsContact O-CG1 3.26Å; A747-I751 WeakPolarHBondContact O-CG1 3.4Å; A747-I751 PolarHBondContact O-N 3.26Å
748	Y	93.5	Very high	90.6	Very high	128 Å²	128	50.5 Å²	50.5	50%	0.502	26%	0.259	S	S	.	.	H	α-helix	trans	-56.7	-47.8	174.1	171	-93.8	0	0	0	111.9	S744 L745 L750 I751 E752 Y760	S744-Y748 WeakPolarHBondContact O-CB 3.47Å; S744-Y748 PolarHBondContact O-N 2.99Å; L745-Y748 WeakPolarHBondContact O-CB 3.44Å; L745-Y748 PolarHBondContact O-N 3Å; Y748-L750 VanDerWaalsContact C-N 3.32Å; Y748-L750 PolarHBondContact O-N 3.3Å; Y748-I751 PolarHBondContact O-N 3.4Å; Y748-E752 HydrophobicContact CD2-CG 3.94Å; Y748-E752 HydrophobicContact CE2-CB 4.3Å; Y748-E752 HydrophobicContact CE2-CG 3.62Å; Y748-E752 PolarHBondContact O-N 3.38Å; Y748-Y760 HydrophobicContact CD1-CD2 4.38Å; Y748-Y760 HydrophobicContact CD1-CE2 4.22Å; Y748-Y760 HydrophobicContact CE1-CD2 4.5Å
749	G	90.8	Very high	90.6	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.4	-39.5	176.8	0	0	0	0	0	113.1	W677 L745 A746 A747 R753	W677-G749 WeakPolarHBondContact CZ3-O 3.44Å; L745-G749 PolarHBondContact O-N 2.69Å; A746-G749 PolarHBondContact O-N 3.23Å; A747-G749 PolarHBondContact O-N 3.48Å; G749-R753 WeakPolarHBondContact O-CA 3.36Å; G749-R753 WeakPolarHBondContact O-CG 3.44Å; G749-R753 PolarHBondContact O-N 3.49Å
750	L	91.3	Very high	90.6	Very high	61 Å²	61	52 Å²	52	32%	0.319	27%	0.267	S	S	.	.	H	α-helix	trans	-70.6	-32.5	177.9	-171.6	62.7	0	0	0	113.3	W677 I678 A746 A747 Y748 R753	W677-L750 HydrophobicContact CB-CD1 4.07Å; I678-L750 HydrophobicContact CG1-CD1 3.79Å; A746-L750 WeakPolarHBondContact O-CB 3.3Å; A746-L750 PolarHBondContact O-N 3.31Å; A747-L750 PolarHBondContact O-N 3.08Å; Y748-L750 VanDerWaalsContact C-N 3.32Å; Y748-L750 PolarHBondContact O-N 3.3Å; L750-R753 WeakPolarHBondContact O-CG 3.34Å; L750-R753 PolarHBondContact O-NH1 3.24Å
751	I	91.1	Very high	90.5	Very high	108 Å²	108	48.4 Å²	48.4	55%	0.554	25%	0.248	S	C	*	.	H	α-helix	trans	-79.8	-56.7	-179.2	-67.5	164.7	0	0	0	111.5	A747 Y748 R753	A747-I751 WeakPolarHBondContact O-CD1 3.45Å; A747-I751 VanDerWaalsContact O-CG1 3.26Å; A747-I751 WeakPolarHBondContact O-CG1 3.4Å; A747-I751 PolarHBondContact O-N 3.26Å; Y748-I751 PolarHBondContact O-N 3.4Å; I751-R753 VanDerWaalsContact O-CZ 3.26Å; I751-R753 PolarHBondContact O-NH1 3.42Å; I751-R753 PolarHBondContact O-NH2 2.99Å
752	E	88.9	Confident	90.4	Very high	117 Å²	117	46.9 Å²	46.9	55%	0.547	24%	0.239	S	C	.	.	H	α-helix	trans	-84	-32.5	-173.9	-65.6	-57	136.4	0	0	112.8	Y748	Y748-E752 HydrophobicContact CD2-CG 3.94Å; Y748-E752 HydrophobicContact CE2-CB 4.3Å; Y748-E752 HydrophobicContact CE2-CG 3.62Å; Y748-E752 PolarHBondContact O-N 3.38Å
753	R	89.4	Confident	90.3	Very high	87 Å²	87	48.7 Å²	48.7	33%	0.328	25%	0.254	S	S	.	.			trans	49.5	57.9	-179.2	-60.4	175.2	-63.2	-71.5	-12.2	112.7	M674 W677 G749 L750 I751 N755	M674-R753 WeakPolarHBondContact SD-CD 3.32Å; M674-R753 PolarHBondContact SD-NE 2.8Å; M674-R753 VanDerWaalsContact SD-NE 3.41Å; W677-R753 HydrophobicContact CB-CG 4.38Å; W677-R753 HydrophobicContact CD2-CB 4.23Å; W677-R753 HydrophobicContact CD2-CG 4.01Å; W677-R753 HydrophobicContact CG-CB 4.33Å; W677-R753 HydrophobicContact CG-CG 3.79Å; W677-R753 HydrophobicContact CZ2-CB 4.31Å; G749-R753 WeakPolarHBondContact O-CA 3.36Å; G749-R753 WeakPolarHBondContact O-CG 3.44Å; G749-R753 PolarHBondContact O-N 3.49Å; L750-R753 WeakPolarHBondContact O-CG 3.34Å; L750-R753 PolarHBondContact O-NH1 3.24Å; I751-R753 VanDerWaalsContact O-CZ 3.26Å; I751-R753 PolarHBondContact O-NH1 3.42Å; I751-R753 PolarHBondContact O-NH2 2.99Å; R753-N755 PolarHBondContact O-N 3.45Å
754	P	85.6	Confident	90.2	Very high	34 Å²	34	43.9 Å²	43.9	22%	0.221	24%	0.236	C	C	.	.			trans	-56.2	136	-173.1	23	-34.5	0	0	0	112.5	W677 D756 Y760	W677-P754 HydrophobicContact CH2-CG 3.87Å; W677-P754 HydrophobicContact CZ2-CG 4.43Å; W677-P754 WeakPolarHBondContact CZ2-O 3.43Å; P754-D756 PolarHBondContact O-N 2.98Å; P754-Y760 HydrophobicContact CG-CD2 4.4Å; P754-Y760 HydrophobicContact CG-CG 4.27Å
755	N	79.8	Confident	90.1	Very high	72 Å²	72	41.7 Å²	41.7	39%	0.385	22%	0.223	S	C	.	.	S	Bend	trans	-61.9	-27.2	179.4	-67.5	-63.4	0	0	0	112.9	R753 F757 Q817	R753-N755 PolarHBondContact O-N 3.45Å; N755-F757 PolarHBondContact O-N 3.46Å; N755-Q817 HydrophobicContact CB-CG 4.46Å
756	D	85	Confident	90.1	Very high	17 Å²	17	43.6 Å²	43.6	9%	0.091	23%	0.232	C	C	.	.			trans	-93.8	90.1	169.7	-175.4	-5.3	0	0	0	110.7	F619 P754 A758 S759 Y760 W816	F619-D756 WeakPolarHBondContact CE1-OD1 3.41Å; F619-D756 WeakPolarHBondContact CE1-OD2 3.45Å; F619-D756 WeakPolarHBondContact CZ-OD2 3.24Å; P754-D756 PolarHBondContact O-N 2.98Å; D756-A758 VanDerWaalsContact C-N 3.31Å; D756-A758 PolarHBondContact OD1-N 3Å; D756-S759 PolarHBondContact OD1-N 3.04Å; D756-S759 WeakPolarHBondContact OD2-CB 3.35Å; D756-S759 PolarHBondContact OD2-OG 3.01Å; D756-Y760 PolarHBondContact O-N 2.78Å; D756-W816 HydrophobicContact CB-CH2 3.84Å; D756-W816 HydrophobicContact CB-CZ2 3.98Å
757	F	88.1	Confident	90.1	Very high	1 Å²	1	45.7 Å²	45.7	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-68.3	-28.6	174.3	-177.9	-94.6	0	0	0	113.1	F662 F676 W677 F680 N755 Y760 L761	F662-F757 WeakPolarHBondContact O-CE1 3.48Å; F676-F757 AromaticContact CE1-CD2 3.81Å; F676-F757 HydrophobicContact CE1-CD2 3.81Å; F676-F757 AromaticContact CE1-CE2 3.53Å; F676-F757 HydrophobicContact CE1-CE2 3.53Å; F676-F757 HydrophobicContact CE1-CZ 4.09Å; F676-F757 HydrophobicContact CZ-CD2 4.26Å; F676-F757 HydrophobicContact CZ-CE1 4.37Å; F676-F757 AromaticContact CZ-CE2 3.74Å; F676-F757 HydrophobicContact CZ-CE2 3.74Å; F676-F757 AromaticContact CZ-CZ 3.8Å; F676-F757 HydrophobicContact CZ-CZ 3.8Å; W677-F757 AromaticContact CH2-CD2 3.64Å; W677-F757 HydrophobicContact CH2-CD2 3.64Å; W677-F757 HydrophobicContact CH2-CE2 4.24Å; W677-F757 AromaticContact CZ2-CD2 3.99Å; W677-F757 HydrophobicContact CZ2-CD2 3.99Å; W677-F757 HydrophobicContact CZ3-CD2 4.14Å; W677-F757 HydrophobicContact CZ3-CE2 4.28Å; F680-F757 HydrophobicContact CD1-CE2 4.06Å; F680-F757 HydrophobicContact CD1-CZ 4.3Å; F680-F757 HydrophobicContact CD2-CE2 4.21Å; F680-F757 AromaticContact CD2-CZ 3.72Å; F680-F757 HydrophobicContact CD2-CZ 3.72Å; F680-F757 HydrophobicContact CE1-CE2 4.2Å; F680-F757 HydrophobicContact CE1-CZ 4.24Å; F680-F757 HydrophobicContact CE2-CE2 4.34Å; F680-F757 AromaticContact CE2-CZ 3.63Å; F680-F757 HydrophobicContact CE2-CZ 3.63Å; F680-F757 HydrophobicContact CG-CE2 4.07Å; F680-F757 HydrophobicContact CG-CZ 4.06Å; F680-F757 HydrophobicContact CZ-CE2 4.33Å; F680-F757 AromaticContact CZ-CZ 3.9Å; F680-F757 HydrophobicContact CZ-CZ 3.9Å; N755-F757 PolarHBondContact O-N 3.46Å; F757-Y760 HydrophobicContact CD2-CD1 4.14Å; F757-Y760 HydrophobicContact CE2-CD1 4.15Å; F757-Y760 HydrophobicContact CE2-CE1 4.27Å; F757-Y760 PolarHBondContact O-N 3.27Å; F757-L761 HydrophobicContact CE1-CB 4.39Å; F757-L761 HydrophobicContact CE1-CD2 4.08Å; F757-L761 WeakPolarHBondContact O-CB 3.16Å; F757-L761 PolarHBondContact O-N 3.43Å
758	A	88.2	Confident	90.1	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.008	24%	0.237	C	C	.	.	H	α-helix	trans	-76.2	-45.1	-174.6	0	0	0	0	0	111.3	F619 T623 Y627 V667 D756 Y760 L761 L762	F619-A758 HydrophobicContact CD1-CB 4.4Å; F619-A758 HydrophobicContact CE1-CB 4Å; T623-A758 HydrophobicContact CG2-CB 4.23Å; Y627-A758 VanDerWaalsContact OH-CA 3.26Å; Y627-A758 WeakPolarHBondContact OH-CA 2.91Å; Y627-A758 WeakPolarHBondContact OH-CB 3.43Å; Y627-A758 PolarHBondContact OH-O 3.48Å; Y627-A758 VanDerWaalsContact OH-O 3.08Å; V667-A758 HydrophobicContact CG2-CB 4.29Å; D756-A758 VanDerWaalsContact C-N 3.31Å; D756-A758 PolarHBondContact OD1-N 3Å; A758-Y760 PolarHBondContact O-N 3.47Å; A758-L761 PolarHBondContact O-N 2.85Å; A758-L762 WeakPolarHBondContact O-CB 3.42Å; A758-L762 PolarHBondContact O-N 2.9Å
759	S	88.4	Confident	90.1	Very high	43 Å²	43	40.6 Å²	40.6	30%	0.301	22%	0.221	S	C	.	.	H	α-helix	trans	-61.4	-33.7	171.3	-65.2	0	0	0	0	112.3	D756 L762 A763	D756-S759 PolarHBondContact OD1-N 3.04Å; D756-S759 WeakPolarHBondContact OD2-CB 3.35Å; D756-S759 PolarHBondContact OD2-OG 3.01Å; S759-L762 PolarHBondContact O-N 3Å; S759-A763 WeakPolarHBondContact O-CB 3.48Å; S759-A763 PolarHBondContact O-N 2.81Å
760	Y	91	Very high	90.2	Very high	14 Å²	14	45.5 Å²	45.5	6%	0.055	25%	0.247	C	C	.	.	H	α-helix	trans	-66	-45.4	172.9	165	-102.7	0	0	0	112.6	W677 F680 L745 Y748 P754 D756 F757 A758 L762 A763 I764	W677-Y760 HydrophobicContact CH2-CD1 4.03Å; W677-Y760 HydrophobicContact CH2-CE1 4.19Å; W677-Y760 AromaticContact CZ3-CD1 3.97Å; W677-Y760 HydrophobicContact CZ3-CD1 3.97Å; W677-Y760 AromaticContact CZ3-CE1 3.64Å; W677-Y760 HydrophobicContact CZ3-CE1 3.64Å; F680-Y760 HydrophobicContact CD1-CE1 4.38Å; F680-Y760 AromaticContact CE1-CE1 3.77Å; F680-Y760 HydrophobicContact CE1-CE1 3.77Å; L745-Y760 PolarHBondContact O-OH 3.02Å; L745-Y760 VanDerWaalsContact O-OH 3.1Å; Y748-Y760 HydrophobicContact CD1-CD2 4.38Å; Y748-Y760 HydrophobicContact CD1-CE2 4.22Å; Y748-Y760 HydrophobicContact CE1-CD2 4.5Å; P754-Y760 HydrophobicContact CG-CD2 4.4Å; P754-Y760 HydrophobicContact CG-CG 4.27Å; D756-Y760 PolarHBondContact O-N 2.78Å; F757-Y760 HydrophobicContact CD2-CD1 4.14Å; F757-Y760 HydrophobicContact CE2-CD1 4.15Å; F757-Y760 HydrophobicContact CE2-CE1 4.27Å; F757-Y760 PolarHBondContact O-N 3.27Å; A758-Y760 PolarHBondContact O-N 3.47Å; Y760-L762 VanDerWaalsContact C-N 3.29Å; Y760-L762 PolarHBondContact O-N 2.94Å; Y760-A763 PolarHBondContact O-N 2.9Å; Y760-I764 HydrophobicContact CD1-CD1 4.42Å; Y760-I764 HydrophobicContact CE1-CD1 3.85Å; Y760-I764 HydrophobicContact CE2-CD1 4.25Å; Y760-I764 PolarHBondContact O-N 3.44Å; Y760-I764 VanDerWaalsContact O-N 3.14Å
761	L	91.6	Very high	90.2	Very high	16 Å²	16	44.6 Å²	44.6	8%	0.084	24%	0.242	C	C	.	.	H	α-helix	trans	-65.1	-33.9	175.1	-177.3	59.3	0	0	0	112	Y627 V659 F680 F757 A758 I764 A765	Y627-L761 HydrophobicContact CE1-CB 4.18Å; Y627-L761 HydrophobicContact CE1-CD2 4.23Å; Y627-L761 HydrophobicContact CE1-CG 3.94Å; V659-L761 HydrophobicContact CG1-CD1 4.44Å; V659-L761 HydrophobicContact CG1-CD2 3.92Å; V659-L761 HydrophobicContact CG1-CG 4.26Å; F680-L761 HydrophobicContact CZ-CD1 4.2Å; F757-L761 HydrophobicContact CE1-CB 4.39Å; F757-L761 HydrophobicContact CE1-CD2 4.08Å; F757-L761 WeakPolarHBondContact O-CB 3.16Å; F757-L761 PolarHBondContact O-N 3.43Å; A758-L761 PolarHBondContact O-N 2.85Å; L761-I764 WeakPolarHBondContact O-CB 3.38Å; L761-I764 PolarHBondContact O-N 3.4Å; L761-A765 PolarHBondContact O-N 3.32Å; L761-A765 VanDerWaalsContact O-N 3.15Å
762	L	91.4	Very high	90.1	Very high	16 Å²	16	41.3 Å²	41.3	8%	0.084	22%	0.223	C	C	.	.	H	α-helix	trans	-68.5	-41.5	174.6	179.7	63	0	0	0	111.6	M626 Y627 A758 S759 Y760 I764 A765 I766	M626-L762 HydrophobicContact CB-CD1 3.69Å; M626-L762 HydrophobicContact CB-CD2 4.16Å; M626-L762 HydrophobicContact CE-CD2 3.91Å; M626-L762 HydrophobicContact CG-CD2 4.41Å; M626-L762 HydrophobicContact SD-CD2 3.39Å; M626-L762 WeakPolarHBondContact SD-CD2 3.25Å; Y627-L762 HydrophobicContact CD1-CB 4.47Å; Y627-L762 HydrophobicContact CD1-CD1 4.14Å; Y627-L762 HydrophobicContact CE1-CB 3.9Å; Y627-L762 HydrophobicContact CE1-CD1 4.4Å; A758-L762 WeakPolarHBondContact O-CB 3.42Å; A758-L762 PolarHBondContact O-N 2.9Å; S759-L762 PolarHBondContact O-N 3Å; Y760-L762 VanDerWaalsContact C-N 3.29Å; Y760-L762 PolarHBondContact O-N 2.94Å; L762-I764 VanDerWaalsContact C-N 3.29Å; L762-I764 PolarHBondContact O-N 3.18Å; L762-A765 PolarHBondContact O-N 2.95Å; L762-A765 VanDerWaalsContact O-N 3.08Å; L762-I766 HydrophobicContact CD1-CD1 3.93Å; L762-I766 HydrophobicContact CD1-CG1 4.1Å; L762-I766 HydrophobicContact CD2-CD1 4.31Å; L762-I766 HydrophobicContact CG-CD1 3.78Å; L762-I766 HydrophobicContact CG-CG1 4.32Å; L762-I766 WeakPolarHBondContact O-CG1 3.05Å; L762-I766 PolarHBondContact O-N 3.03Å
763	A	92.4	Very high	90.3	Very high	41 Å²	41	38.1 Å²	38.1	34%	0.339	21%	0.207	S	C	.	.	H	α-helix	trans	-59.1	-40.3	174.1	0	0	0	0	0	111.6	S759 Y760 I766 C767	S759-A763 WeakPolarHBondContact O-CB 3.48Å; S759-A763 PolarHBondContact O-N 2.81Å; Y760-A763 PolarHBondContact O-N 2.9Å; A763-I766 PolarHBondContact O-N 2.96Å; A763-C767 VanDerWaalsContact O-CB 3.24Å; A763-C767 WeakPolarHBondContact O-CB 3.05Å; A763-C767 PolarHBondContact O-N 3.44Å; A763-C767 PolarHBondContact O-SG 2.91Å
764	I	93.4	Very high	90.4	Very high	11 Å²	11	36 Å²	36	6%	0.056	21%	0.208	C	C	.	.	H	α-helix	trans	-57.8	-48.7	171.2	-68.9	168.7	0	0	0	110.9	F680 L745 Y760 L761 L762 N768	F680-I764 HydrophobicContact CE1-CD1 4.47Å; L745-I764 HydrophobicContact CB-CG1 4.29Å; L745-I764 HydrophobicContact CD1-CG1 4.01Å; Y760-I764 HydrophobicContact CD1-CD1 4.42Å; Y760-I764 HydrophobicContact CE1-CD1 3.85Å; Y760-I764 HydrophobicContact CE2-CD1 4.25Å; Y760-I764 PolarHBondContact O-N 3.44Å; Y760-I764 VanDerWaalsContact O-N 3.14Å; L761-I764 WeakPolarHBondContact O-CB 3.38Å; L761-I764 PolarHBondContact O-N 3.4Å; L762-I764 VanDerWaalsContact C-N 3.29Å; L762-I764 PolarHBondContact O-N 3.18Å; I764-N768 PolarHBondContact O-N 3.29Å; I764-N768 VanDerWaalsContact O-N 3.14Å; I764-N768 PolarHBondContact O-ND2 3.28Å
765	A	92.9	Very high	90.5	Very high	25 Å²	25	35.2 Å²	35.2	21%	0.207	20%	0.201	C	C	.	.	H	α-helix	trans	-63.2	-44.7	-179.2	0	0	0	0	0	112.6	A630 L761 L762 L769	A630-A765 HydrophobicContact CB-CB 4.19Å; L761-A765 PolarHBondContact O-N 3.32Å; L761-A765 VanDerWaalsContact O-N 3.15Å; L762-A765 PolarHBondContact O-N 2.95Å; L762-A765 VanDerWaalsContact O-N 3.08Å; A765-L769 WeakPolarHBondContact O-CB 3.36Å; A765-L769 PolarHBondContact O-N 2.91Å
766	I	93.4	Very high	91	Very high	73 Å²	73	31.8 Å²	31.8	37%	0.374	18%	0.183	S	C	.	.	H	α-helix	trans	-67.6	-44.7	179.6	-66.8	174.5	0	0	0	111.2	L762 A763 N768 L769 L770	L762-I766 HydrophobicContact CD1-CD1 3.93Å; L762-I766 HydrophobicContact CD1-CG1 4.1Å; L762-I766 HydrophobicContact CD2-CD1 4.31Å; L762-I766 HydrophobicContact CG-CD1 3.78Å; L762-I766 HydrophobicContact CG-CG1 4.32Å; L762-I766 WeakPolarHBondContact O-CG1 3.05Å; L762-I766 PolarHBondContact O-N 3.03Å; A763-I766 PolarHBondContact O-N 2.96Å; I766-N768 VanDerWaalsContact C-N 3.34Å; I766-N768 PolarHBondContact O-N 3.38Å; I766-L769 PolarHBondContact O-N 2.98Å; I766-L770 HydrophobicContact CG2-CD1 3.82Å; I766-L770 HydrophobicContact CG2-CG 4.2Å; I766-L770 WeakPolarHBondContact O-CB 3.39Å; I766-L770 WeakPolarHBondContact O-CG 3.42Å; I766-L770 PolarHBondContact O-N 2.69Å
767	C	93.6	Very high	91.3	Very high	47 Å²	47	32.6 Å²	32.6	32%	0.318	19%	0.187	S	C	.	.	H	α-helix	trans	-59.1	-44.2	177	-76.1	0	0	0	0	111.9	L745 A763 L770 L771	L745-C767 HydrophobicContact CD1-CB 4.27Å; A763-C767 VanDerWaalsContact O-CB 3.24Å; A763-C767 WeakPolarHBondContact O-CB 3.05Å; A763-C767 PolarHBondContact O-N 3.44Å; A763-C767 PolarHBondContact O-SG 2.91Å; C767-L770 PolarHBondContact O-N 2.8Å; C767-L771 WeakPolarHBondContact O-CB 3.32Å; C767-L771 VanDerWaalsContact O-CG 3.28Å; C767-L771 WeakPolarHBondContact O-CG 3.49Å; C767-L771 PolarHBondContact O-N 3.31Å
768	N	92.6	Very high	91.4	Very high	38 Å²	38	36.9 Å²	36.9	20%	0.203	21%	0.209	C	C	.	.	H	α-helix	trans	-65.4	-39.9	175.6	-78	-72.5	0	0	0	112.6	M634 N742 I764 I766 Y772	M634-N768 HydrophobicContact CE-CB 3.65Å; N742-N768 PolarHBondContact ND2-OD1 3.2Å; N742-N768 PolarHBondContact OD1-ND2 3Å; I764-N768 PolarHBondContact O-N 3.29Å; I764-N768 VanDerWaalsContact O-N 3.14Å; I764-N768 PolarHBondContact O-ND2 3.28Å; I766-N768 VanDerWaalsContact C-N 3.34Å; I766-N768 PolarHBondContact O-N 3.38Å; N768-Y772 WeakPolarHBondContact O-CB 3.45Å; N768-Y772 PolarHBondContact O-N 2.85Å
769	L	93.2	Very high	91.3	Very high	30 Å²	30	37.7 Å²	37.7	16%	0.157	21%	0.213	C	C	.	.	H	α-helix	trans	-62.3	-44.5	175.6	177.5	60.9	0	0	0	111.8	A630 C633 M634 L637 A765 I766 Y772 F773	A630-L769 HydrophobicContact CB-CD2 4.47Å; C633-L769 HydrophobicContact CB-CD1 3.73Å; C633-L769 HydrophobicContact CB-CD2 3.82Å; C633-L769 HydrophobicContact CB-CG 4.46Å; M634-L769 HydrophobicContact CB-CD1 4.16Å; M634-L769 HydrophobicContact CE-CB 4.43Å; L637-L769 HydrophobicContact CD1-CD1 3.78Å; A765-L769 WeakPolarHBondContact O-CB 3.36Å; A765-L769 PolarHBondContact O-N 2.91Å; I766-L769 PolarHBondContact O-N 2.98Å; L769-Y772 PolarHBondContact O-N 3.13Å; L769-F773 VanDerWaalsContact O-CB 3.25Å; L769-F773 WeakPolarHBondContact O-CB 3.4Å; L769-F773 PolarHBondContact O-N 3.13Å
770	L	92.9	Very high	91.4	Very high	104 Å²	104	35.6 Å²	35.6	55%	0.545	20%	0.198	S	C	.	.	H	α-helix	trans	-67.4	-41.9	178.8	-70.2	174.6	0	0	0	112.3	I766 C767 Y772 F773 A774	I766-L770 HydrophobicContact CG2-CD1 3.82Å; I766-L770 HydrophobicContact CG2-CG 4.2Å; I766-L770 WeakPolarHBondContact O-CB 3.39Å; I766-L770 WeakPolarHBondContact O-CG 3.42Å; I766-L770 PolarHBondContact O-N 2.69Å; C767-L770 PolarHBondContact O-N 2.8Å; L770-Y772 PolarHBondContact O-N 3.37Å; L770-F773 PolarHBondContact O-N 3.34Å; L770-A774 WeakPolarHBondContact O-CB 3.29Å; L770-A774 PolarHBondContact O-N 3.04Å
771	L	90.9	Very high	91.3	Very high	42 Å²	42	39.7 Å²	39.7	22%	0.22	22%	0.221	C	C	.	.	H	α-helix	trans	-59.4	-45.6	173.6	-75.1	169.6	0	0	0	111.6	M737 V741 C767 A774 F775	M737-L771 HydrophobicContact SD-CD2 4.19Å; V741-L771 HydrophobicContact CB-CD1 4.03Å; V741-L771 HydrophobicContact CG1-CD1 4.05Å; V741-L771 HydrophobicContact CG2-CD1 4.13Å; C767-L771 WeakPolarHBondContact O-CB 3.32Å; C767-L771 VanDerWaalsContact O-CG 3.28Å; C767-L771 WeakPolarHBondContact O-CG 3.49Å; C767-L771 PolarHBondContact O-N 3.31Å; L771-A774 PolarHBondContact O-N 2.88Å; L771-F775 PolarHBondContact O-N 2.86Å
772	Y	89.8	Confident	91.1	Very high	39 Å²	39	46.2 Å²	46.2	15%	0.153	24%	0.244	C	C	.	.	H	α-helix	trans	-71.1	-35.4	-179.8	-171.4	-137.5	0	0	0	112.6	M634 L637 Y638 L734 N768 L769 L770 F775 Y776	M634-Y772 HydrophobicContact CG-CD1 4.33Å; L637-Y772 HydrophobicContact CB-CD1 3.77Å; L637-Y772 HydrophobicContact CB-CE1 3.53Å; L637-Y772 HydrophobicContact CD1-CD1 4.12Å; Y638-Y772 WeakPolarHBondContact CA-OH 3.48Å; L734-Y772 HydrophobicContact CD2-CD2 4.3Å; N768-Y772 WeakPolarHBondContact O-CB 3.45Å; N768-Y772 PolarHBondContact O-N 2.85Å; L769-Y772 PolarHBondContact O-N 3.13Å; L770-Y772 PolarHBondContact O-N 3.37Å; Y772-F775 HydrophobicContact CD2-CD1 4.16Å; Y772-F775 HydrophobicContact CE2-CD1 4.1Å; Y772-F775 PolarHBondContact O-N 2.96Å; Y772-Y776 PolarHBondContact O-N 2.77Å
773	F	92.1	Very high	90.8	Very high	49 Å²	49	47.3 Å²	47.3	22%	0.215	25%	0.253	C	S	.	.	H	α-helix	trans	-64.2	-43.6	172.3	-179.5	-100.3	0	0	0	112.4	L637 L769 L770 Y776 I777 V856 L857 M860	L637-F773 HydrophobicContact CD1-CB 4.03Å; L637-F773 HydrophobicContact CD1-CD2 4.27Å; L637-F773 HydrophobicContact CD2-CD2 4.15Å; L769-F773 VanDerWaalsContact O-CB 3.25Å; L769-F773 WeakPolarHBondContact O-CB 3.4Å; L769-F773 PolarHBondContact O-N 3.13Å; L770-F773 PolarHBondContact O-N 3.34Å; F773-Y776 WeakPolarHBondContact O-CB 3.44Å; F773-Y776 PolarHBondContact O-N 2.66Å; F773-I777 HydrophobicContact CD1-CD1 4.11Å; F773-I777 HydrophobicContact CE1-CD1 3.5Å; F773-I777 HydrophobicContact CZ-CD1 3.73Å; F773-I777 PolarHBondContact O-N 3.37Å; F773-I777 VanDerWaalsContact O-N 3.17Å; F773-V856 HydrophobicContact CE2-CG1 3.97Å; F773-V856 HydrophobicContact CZ-CG1 3.74Å; F773-L857 HydrophobicContact CD2-CD2 4.2Å; F773-L857 HydrophobicContact CE2-CD2 4.21Å; F773-M860 HydrophobicContact CD2-CE 4.41Å; F773-M860 HydrophobicContact CE2-CE 3.49Å; F773-M860 VanDerWaalsContact CE2-CE 3.49Å; F773-M860 HydrophobicContact CE2-SD 4.42Å; F773-M860 HydrophobicContact CZ-CE 3.66Å
774	A	91.3	Very high	90.4	Very high	43 Å²	43	48.1 Å²	48.1	36%	0.355	27%	0.266	S	S	.	.	H	α-helix	trans	-62.8	-43.8	175.3	0	0	0	0	0	111.6	L770 L771 Y776 I777 I778	L770-A774 WeakPolarHBondContact O-CB 3.29Å; L770-A774 PolarHBondContact O-N 3.04Å; L771-A774 PolarHBondContact O-N 2.88Å; A774-Y776 VanDerWaalsContact C-N 3.35Å; A774-Y776 PolarHBondContact O-N 3.43Å; A774-I777 PolarHBondContact O-N 2.88Å; A774-I778 VanDerWaalsContact O-CG1 3.29Å; A774-I778 WeakPolarHBondContact O-CG1 3.42Å; A774-I778 PolarHBondContact O-N 3.24Å
775	F	89.2	Confident	90.2	Very high	17 Å²	17	48.8 Å²	48.8	8%	0.075	27%	0.269	C	S	.	.	H	α-helix	trans	-57.7	-45.1	172.8	175.9	-103.8	0	0	0	112.7	L734 L771 Y772 I777 I778 M779 F875	L734-F775 HydrophobicContact CB-CD2 3.75Å; L734-F775 HydrophobicContact CB-CE2 3.82Å; L734-F775 HydrophobicContact CB-CG 4.39Å; L734-F775 HydrophobicContact CD1-CB 3.66Å; L734-F775 HydrophobicContact CD1-CD2 3.9Å; L734-F775 HydrophobicContact CD1-CG 3.94Å; L734-F775 HydrophobicContact CD2-CB 3.86Å; L734-F775 HydrophobicContact CD2-CD1 3.59Å; L734-F775 HydrophobicContact CD2-CD2 3.65Å; L734-F775 HydrophobicContact CD2-CE1 3.94Å; L734-F775 HydrophobicContact CD2-CE2 3.98Å; L734-F775 HydrophobicContact CD2-CG 3.42Å; L734-F775 VanDerWaalsContact CD2-CG 3.42Å; L734-F775 HydrophobicContact CD2-CZ 4.11Å; L734-F775 HydrophobicContact CG-CB 4.3Å; L734-F775 HydrophobicContact CG-CD2 3.93Å; L734-F775 HydrophobicContact CG-CE2 4.38Å; L734-F775 HydrophobicContact CG-CG 4.08Å; L771-F775 PolarHBondContact O-N 2.86Å; Y772-F775 HydrophobicContact CD2-CD1 4.16Å; Y772-F775 HydrophobicContact CE2-CD1 4.1Å; Y772-F775 PolarHBondContact O-N 2.96Å; F775-I777 VanDerWaalsContact C-N 3.29Å; F775-I777 PolarHBondContact O-N 2.73Å; F775-I778 PolarHBondContact O-N 2.81Å; F775-M779 HydrophobicContact CD1-CG 4.19Å; F775-M779 HydrophobicContact CD2-CG 3.85Å; F775-M779 HydrophobicContact CE1-CG 3.8Å; F775-M779 HydrophobicContact CE2-CG 3.42Å; F775-M779 VanDerWaalsContact CE2-CG 3.42Å; F775-M779 HydrophobicContact CE2-SD 3.9Å; F775-M779 HydrophobicContact CG-CG 4.23Å; F775-M779 HydrophobicContact CZ-CG 3.41Å; F775-M779 VanDerWaalsContact CZ-CG 3.41Å; F775-M779 HydrophobicContact CZ-SD 4.17Å; F775-M779 WeakPolarHBondContact O-CG 3.35Å; F775-M779 PolarHBondContact O-N 2.82Å; F775-F875 HydrophobicContact CE1-CD2 4.26Å
776	Y	90.6	Very high	90	Very high	1 Å²	1	57.5 Å²	57.5	0%	0.004	30%	0.296	C	S	.	.	H	α-helix	trans	-57.2	-44.2	178.7	-167.7	-77.7	0	0	0	111.4	L637 K640 R641 Y772 F773 A774 K780 M860 D861 F875	L637-Y776 HydrophobicContact CD2-CD2 4.14Å; L637-Y776 HydrophobicContact CD2-CG 4.12Å; K640-Y776 HydrophobicContact CB-CE2 3.86Å; K640-Y776 HydrophobicContact CD-CE1 4.34Å; K640-Y776 HydrophobicContact CD-CE2 3.86Å; R641-Y776 HydrophobicContact CG-CE2 3.91Å; R641-Y776 PolarHBondContact NE-OH 2.68Å; R641-Y776 PolarHBondContact NH2-OH 3.41Å; Y772-Y776 PolarHBondContact O-N 2.77Å; F773-Y776 WeakPolarHBondContact O-CB 3.44Å; F773-Y776 PolarHBondContact O-N 2.66Å; A774-Y776 VanDerWaalsContact C-N 3.35Å; A774-Y776 PolarHBondContact O-N 3.43Å; Y776-K780 HydrophobicContact CE1-CD 4.29Å; Y776-K780 WeakPolarHBondContact O-CB 3.39Å; Y776-K780 PolarHBondContact O-N 2.88Å; Y776-M860 HydrophobicContact CD1-CG 4.48Å; Y776-M860 HydrophobicContact CD1-SD 3.43Å; Y776-M860 WeakPolarHBondContact CD1-SD 3.49Å; Y776-M860 HydrophobicContact CE1-CG 4.13Å; Y776-M860 HydrophobicContact CE1-SD 3.57Å; Y776-M860 VanDerWaalsContact CE1-SD 3.57Å; Y776-M860 HydrophobicContact CG-SD 4.47Å; Y776-D861 PolarHBondContact OH-OD1 3.35Å; Y776-D861 PolarHBondContact OH-OD2 2.85Å; Y776-D861 VanDerWaalsContact OH-OD2 3.09Å; Y776-F875 AromaticContact CD2-CE2 3.78Å; Y776-F875 HydrophobicContact CD2-CE2 3.78Å; Y776-F875 HydrophobicContact CD2-CZ 4.39Å; Y776-F875 HydrophobicContact CE1-CZ 4.41Å; Y776-F875 AromaticContact CE2-CE2 3.9Å; Y776-F875 HydrophobicContact CE2-CE2 3.9Å; Y776-F875 HydrophobicContact CE2-CZ 4.19Å; Y776-F875 HydrophobicContact CG-CE2 4.12Å
777	I	90.8	Very high	89.8	Confident	33 Å²	33	55.7 Å²	55.7	17%	0.169	29%	0.287	C	S	.	.	H	α-helix	trans	-64.3	-47	175.6	-69.6	174.3	0	0	0	111.4	F773 A774 F775 M779 K780 L781 I787 I795 M860	F773-I777 HydrophobicContact CD1-CD1 4.11Å; F773-I777 HydrophobicContact CE1-CD1 3.5Å; F773-I777 HydrophobicContact CZ-CD1 3.73Å; F773-I777 PolarHBondContact O-N 3.37Å; F773-I777 VanDerWaalsContact O-N 3.17Å; A774-I777 PolarHBondContact O-N 2.88Å; F775-I777 VanDerWaalsContact C-N 3.29Å; F775-I777 PolarHBondContact O-N 2.73Å; I777-M779 PolarHBondContact O-N 2.82Å; I777-K780 PolarHBondContact O-N 3.36Å; I777-L781 HydrophobicContact CG2-CD1 4Å; I777-L781 WeakPolarHBondContact O-CG 3.32Å; I777-L781 PolarHBondContact O-N 2.82Å; I777-I787 HydrophobicContact CG2-CD1 4.15Å; I777-I795 HydrophobicContact CD1-CD1 4.34Å; I777-M860 HydrophobicContact CD1-CE 3.85Å; I777-M860 HydrophobicContact CG1-CE 3.59Å
778	I	89.4	Confident	89.6	Confident	92 Å²	92	58.4 Å²	58.4	47%	0.472	29%	0.293	S	S	.	.	H	α-helix	trans	-61.2	-45.3	-179.2	-69.7	163.6	0	0	0	111	A774 F775 L781 R782	A774-I778 VanDerWaalsContact O-CG1 3.29Å; A774-I778 WeakPolarHBondContact O-CG1 3.42Å; A774-I778 PolarHBondContact O-N 3.24Å; F775-I778 PolarHBondContact O-N 2.81Å; I778-L781 PolarHBondContact O-N 2.04Å; I778-R782 WeakPolarHBondContact O-CB 3.45Å; I778-R782 WeakPolarHBondContact O-CG 3.41Å; I778-R782 PolarHBondContact O-N 2.91Å
779	M	86.8	Confident	89.4	Confident	17 Å²	17	61.4 Å²	61.4	8%	0.084	32%	0.316	C	S	.	.	H	α-helix	trans	-69.6	-40.9	178.6	-68.7	-54.5	-67.1	0	0	112.2	D730 F775 I777 L781 R782 S783 F875	D730-M779 HydrophobicContact CB-CE 3.85Å; D730-M779 HydrophobicContact CB-SD 3.93Å; F775-M779 HydrophobicContact CD1-CG 4.19Å; F775-M779 HydrophobicContact CD2-CG 3.85Å; F775-M779 HydrophobicContact CE1-CG 3.8Å; F775-M779 HydrophobicContact CE2-CG 3.42Å; F775-M779 VanDerWaalsContact CE2-CG 3.42Å; F775-M779 HydrophobicContact CE2-SD 3.9Å; F775-M779 HydrophobicContact CG-CG 4.23Å; F775-M779 HydrophobicContact CZ-CG 3.41Å; F775-M779 VanDerWaalsContact CZ-CG 3.41Å; F775-M779 HydrophobicContact CZ-SD 4.17Å; F775-M779 WeakPolarHBondContact O-CG 3.35Å; F775-M779 PolarHBondContact O-N 2.82Å; I777-M779 PolarHBondContact O-N 2.82Å; M779-L781 VanDerWaalsContact C-N 3.3Å; M779-L781 PolarHBondContact O-N 2.67Å; M779-R782 PolarHBondContact O-N 3.41Å; M779-R782 VanDerWaalsContact O-N 3.15Å; M779-S783 WeakPolarHBondContact O-CB 3.07Å; M779-S783 PolarHBondContact O-N 3.11Å; M779-S783 PolarHBondContact O-OG 3.24Å; M779-F875 HydrophobicContact CB-CB 4.06Å; M779-F875 HydrophobicContact CB-CD1 3.79Å; M779-F875 HydrophobicContact CB-CD2 3.48Å; M779-F875 VanDerWaalsContact CB-CD2 3.48Å; M779-F875 HydrophobicContact CB-CE1 4.01Å; M779-F875 HydrophobicContact CB-CE2 3.73Å; M779-F875 HydrophobicContact CB-CG 3.52Å; M779-F875 HydrophobicContact CB-CZ 3.98Å; M779-F875 HydrophobicContact CE-CB 3.81Å; M779-F875 HydrophobicContact CE-CG 4.47Å; M779-F875 HydrophobicContact CG-CB 4.2Å; M779-F875 HydrophobicContact CG-CD2 4.08Å; M779-F875 HydrophobicContact CG-CG 4.14Å
780	K	90.3	Very high	89.2	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-53.8	-47.6	173.4	-174.3	169.1	-177.3	79.7	0	111.5	Y776 I777 S783 E785 I787 M860 D861 D863 F875	Y776-K780 HydrophobicContact CE1-CD 4.29Å; Y776-K780 WeakPolarHBondContact O-CB 3.39Å; Y776-K780 PolarHBondContact O-N 2.88Å; I777-K780 PolarHBondContact O-N 3.36Å; K780-S783 PolarHBondContact O-N 3.47Å; K780-E785 HydrophobicContact CG-CB 3.67Å; K780-E785 HydrophobicContact CG-CG 4.44Å; K780-E785 WeakPolarHBondContact CG-OE2 3.09Å; K780-E785 IonicContact NZ-OE2 2.68Å; K780-E785 PolarHBondContact NZ-OE2 3.36Å; K780-E785 WeakPolarHBondContact O-CB 3.35Å; K780-E785 PolarHBondContact O-N 2.84Å; K780-E785 VanDerWaalsContact O-N 3.14Å; K780-I787 HydrophobicContact CD-CG1 4.27Å; K780-M860 HydrophobicContact CD-CG 4.4Å; K780-M860 VanDerWaalsContact CE-O 3.26Å; K780-M860 WeakPolarHBondContact CE-O 3.41Å; K780-D861 IonicContact NZ-OD1 3.35Å; K780-D861 PolarHBondContact NZ-OD1 2.87Å; K780-D863 VanDerWaalsContact CE-OD1 3.31Å; K780-D863 WeakPolarHBondContact CE-OD1 3.42Å; K780-D863 IonicContact NZ-OD1 2.67Å; K780-D863 PolarHBondContact NZ-OD1 2.91Å; K780-D863 IonicContact NZ-OD2 2.9Å; K780-D863 PolarHBondContact NZ-OD2 2.82Å; K780-F875 HydrophobicContact CB-CZ 4.31Å
781	L	89.4	Confident	89	Confident	99 Å²	99	60 Å²	60	52%	0.518	31%	0.309	S	S	.	.	H	α-helix	trans	-66.7	-40.9	176.7	-66.9	171.6	0	0	0	112.7	I777 I778 M779 S783 G784 I787	I777-L781 HydrophobicContact CG2-CD1 4Å; I777-L781 WeakPolarHBondContact O-CG 3.32Å; I777-L781 PolarHBondContact O-N 2.82Å; I778-L781 PolarHBondContact O-N 2.04Å; M779-L781 VanDerWaalsContact C-N 3.3Å; M779-L781 PolarHBondContact O-N 2.67Å; L781-S783 VanDerWaalsContact C-N 3.33Å; L781-S783 PolarHBondContact O-N 3.38Å; L781-G784 PolarHBondContact O-N 2.89Å; L781-G784 VanDerWaalsContact O-N 3.1Å; L781-I787 HydrophobicContact CD2-CD1 4.21Å; L781-I787 HydrophobicContact CD2-CG1 4.31Å; L781-I787 HydrophobicContact CG-CD1 4.44Å
782	R	87.3	Confident	89.1	Confident	153 Å²	153	60.8 Å²	60.8	58%	0.577	32%	0.315	S	S	*	.	H	α-helix	trans	-68.7	-27.4	177.4	-76.9	-177.7	61.4	-164.7	-10.7	113.9	D730 I778 M779 G784	D730-R782 VanDerWaalsContact CG-NH1 3.32Å; D730-R782 IonicContact OD1-CZ 2.74Å; D730-R782 IonicContact OD1-NH1 2.91Å; D730-R782 PolarHBondContact OD1-NH1 3.37Å; D730-R782 IonicContact OD1-NH2 2.73Å; D730-R782 PolarHBondContact OD1-NH2 2.92Å; D730-R782 IonicContact OD2-CZ 3.66Å; D730-R782 IonicContact OD2-NH1 2.75Å; D730-R782 IonicContact OD2-NH2 3.68Å; D730-R782 PolarHBondContact OD2-NH2 3.28Å; I778-R782 WeakPolarHBondContact O-CB 3.45Å; I778-R782 WeakPolarHBondContact O-CG 3.41Å; I778-R782 PolarHBondContact O-N 2.91Å; M779-R782 PolarHBondContact O-N 3.41Å; M779-R782 VanDerWaalsContact O-N 3.15Å; R782-G784 PolarHBondContact O-N 2.93Å
783	S	84.5	Confident	89.1	Confident	39 Å²	39	63 Å²	63	27%	0.273	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	0.1	171	-69.3	0	0	0	0	113.6	M779 K780 L781 E785	M779-S783 WeakPolarHBondContact O-CB 3.07Å; M779-S783 PolarHBondContact O-N 3.11Å; M779-S783 PolarHBondContact O-OG 3.24Å; K780-S783 PolarHBondContact O-N 3.47Å; L781-S783 VanDerWaalsContact C-N 3.33Å; L781-S783 PolarHBondContact O-N 3.38Å; S783-E785 VanDerWaalsContact C-N 3.31Å; S783-E785 PolarHBondContact O-N 2.65Å
784	G	83.3	Confident	89.1	Confident	59 Å²	59	61.8 Å²	61.8	61%	0.608	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	6.6	178.9	0	0	0	0	0	114.9	L781 R782	L781-G784 PolarHBondContact O-N 2.89Å; L781-G784 VanDerWaalsContact O-N 3.1Å; R782-G784 PolarHBondContact O-N 2.93Å
785	E	89.9	Confident	89.2	Confident	24 Å²	24	61.8 Å²	61.8	11%	0.112	32%	0.323	C	S	.	.			trans	-73.5	154	177.1	-57	-178.9	-164.2	0	0	111.1	R641 K780 S783 L864	R641-E785 IonicContact CZ-OE1 2.86Å; R641-E785 IonicContact CZ-OE2 3.91Å; R641-E785 IonicContact NH1-OE1 3.17Å; R641-E785 PolarHBondContact NH1-OE1 2.91Å; R641-E785 IonicContact NH1-OE2 2.66Å; R641-E785 IonicContact NH2-OE1 2.65Å; R641-E785 PolarHBondContact NH2-OE1 3.03Å; R641-E785 IonicContact NH2-OE2 3.67Å; R641-E785 PolarHBondContact NH2-OE2 3.39Å; K780-E785 HydrophobicContact CG-CB 3.67Å; K780-E785 HydrophobicContact CG-CG 4.44Å; K780-E785 WeakPolarHBondContact CG-OE2 3.09Å; K780-E785 IonicContact NZ-OE2 2.68Å; K780-E785 PolarHBondContact NZ-OE2 3.36Å; K780-E785 WeakPolarHBondContact O-CB 3.35Å; K780-E785 PolarHBondContact O-N 2.84Å; K780-E785 VanDerWaalsContact O-N 3.14Å; S783-E785 VanDerWaalsContact C-N 3.31Å; S783-E785 PolarHBondContact O-N 2.65Å; E785-L864 HydrophobicContact CG-CD2 4.11Å; E785-L864 WeakPolarHBondContact OE2-CD1 3.09Å
786	R	88.6	Confident	89.5	Confident	208 Å²	208	66.3 Å²	66.3	79%	0.785	35%	0.348	S	S	*	.			trans	-120.7	104.5	-167.9	-68.8	-172.5	-178.2	-173.3	1.7	111.6	K788 D863	R786-K788 PolarHBondContact O-N 3.37Å; R786-D863 PolarHBondContact N-OD2 2.81Å; R786-D863 VanDerWaalsContact N-OD2 3.11Å; R786-D863 WeakPolarHBondContact O-CB 3.49Å
787	I	89.4	Confident	89.6	Confident	35 Å²	35	71.2 Å²	71.2	18%	0.179	37%	0.37	C	S	.	.			trans	-58.3	115	173.6	-49.8	-179.5	0	0	0	109.3	I777 K780 L781 P791 V792	I777-I787 HydrophobicContact CG2-CD1 4.15Å; K780-I787 HydrophobicContact CD-CG1 4.27Å; L781-I787 HydrophobicContact CD2-CD1 4.21Å; L781-I787 HydrophobicContact CD2-CG1 4.31Å; L781-I787 HydrophobicContact CG-CD1 4.44Å; I787-P791 HydrophobicContact CG2-CB 3.79Å; I787-V792 HydrophobicContact CB-CG2 4.06Å; I787-V792 HydrophobicContact CG2-CG2 3.62Å
788	K	89.3	Confident	89.9	Confident	104 Å²	104	70.1 Å²	70.1	45%	0.452	36%	0.364	S	S	.	.			trans	-62.3	151.4	178.9	-83.8	171.9	172.4	169.5	0	111.1	R786 L790 P791 V792 D862 D863	R786-K788 PolarHBondContact O-N 3.37Å; K788-L790 VanDerWaalsContact C-N 3.27Å; K788-L790 PolarHBondContact O-N 3.33Å; K788-P791 HydrophobicContact CB-CG 4.32Å; K788-P791 WeakPolarHBondContact O-CD 3.47Å; K788-V792 PolarHBondContact O-N 3.5Å; K788-V792 VanDerWaalsContact O-N 3.14Å; K788-D862 HydrophobicContact CD-CB 4.41Å; K788-D862 PolarHBondContact NZ-O 3.49Å; K788-D863 HydrophobicContact CD-CB 4.19Å; K788-D863 HydrophobicContact CG-CB 4.12Å
789	C	88.9	Confident	90.1	Very high	101 Å²	101	68.6 Å²	68.6	68%	0.682	37%	0.365	S	S	*	.	H	α-helix	trans	-53.4	-39.5	-177.4	177.5	0	0	0	0	113.5	V792 V793	C789-V792 PolarHBondContact O-N 2.84Å; C789-V793 WeakPolarHBondContact O-CG2 3.44Å; C789-V793 PolarHBondContact O-N 2.82Å
790	L	87.6	Confident	90.6	Very high	104 Å²	104	72 Å²	72	55%	0.545	39%	0.387	S	S	.	.	H	α-helix	trans	-59.2	-58	176.9	171.5	66.7	0	0	0	112	K788 V792 V793 C794	K788-L790 VanDerWaalsContact C-N 3.27Å; K788-L790 PolarHBondContact O-N 3.33Å; L790-V792 VanDerWaalsContact C-N 3.29Å; L790-V792 PolarHBondContact O-N 3.45Å; L790-V793 PolarHBondContact O-N 3.45Å; L790-C794 PolarHBondContact O-N 2.86Å; L790-C794 PolarHBondContact O-SG 3.19Å
791	P	90.1	Very high	90.9	Very high	2 Å²	2	72.7 Å²	72.7	1%	0.013	39%	0.391	C	S	.	.	H	α-helix	trans	-51.2	-39.5	170.3	-30.5	31.9	0	0	0	115.3	I787 K788 C794 I795 T859	I787-P791 HydrophobicContact CG2-CB 3.79Å; K788-P791 HydrophobicContact CB-CG 4.32Å; K788-P791 WeakPolarHBondContact O-CD 3.47Å; P791-C794 PolarHBondContact O-N 2.97Å; P791-I795 WeakPolarHBondContact O-CB 3.05Å; P791-I795 VanDerWaalsContact O-CG1 3.24Å; P791-I795 WeakPolarHBondContact O-CG1 3.37Å; P791-I795 PolarHBondContact O-N 3Å; P791-T859 VanDerWaalsContact CG-O 3.3Å; P791-T859 WeakPolarHBondContact CG-O 3.42Å
792	V	91.6	Very high	91.3	Very high	58 Å²	58	71.5 Å²	71.5	35%	0.352	38%	0.38	S	S	.	.	H	α-helix	trans	-62.8	-47	177	177.8	0	0	0	0	111.5	I787 K788 C789 L790 C794 I795 L796	I787-V792 HydrophobicContact CB-CG2 4.06Å; I787-V792 HydrophobicContact CG2-CG2 3.62Å; K788-V792 PolarHBondContact O-N 3.5Å; K788-V792 VanDerWaalsContact O-N 3.14Å; C789-V792 PolarHBondContact O-N 2.84Å; L790-V792 VanDerWaalsContact C-N 3.29Å; L790-V792 PolarHBondContact O-N 3.45Å; V792-C794 VanDerWaalsContact C-N 3.33Å; V792-C794 PolarHBondContact O-N 3.44Å; V792-I795 PolarHBondContact O-N 3.05Å; V792-L796 HydrophobicContact CG1-CD1 4.11Å; V792-L796 WeakPolarHBondContact O-CG 3.41Å; V792-L796 PolarHBondContact O-N 3.39Å
793	V	91.3	Very high	91.6	Very high	85 Å²	85	66.3 Å²	66.3	52%	0.515	37%	0.374	S	S	.	.	H	α-helix	trans	-62.3	-41.9	176.3	172.5	0	0	0	0	110.7	C789 L790 L796 F797	C789-V793 WeakPolarHBondContact O-CG2 3.44Å; C789-V793 PolarHBondContact O-N 2.82Å; L790-V793 PolarHBondContact O-N 3.45Å; V793-L796 PolarHBondContact O-N 2.84Å; V793-F797 VanDerWaalsContact O-CB 3.29Å; V793-F797 WeakPolarHBondContact O-CB 3.28Å; V793-F797 PolarHBondContact O-N 2.04Å
794	C	91.9	Very high	92.2	Very high	24 Å²	24	70.2 Å²	70.2	16%	0.162	39%	0.386	C	S	.	.	H	α-helix	trans	-62.6	-41.1	175.2	-66.6	0	0	0	0	112.5	L790 P791 V792 T798 V856	L790-C794 PolarHBondContact O-N 2.86Å; L790-C794 PolarHBondContact O-SG 3.19Å; P791-C794 PolarHBondContact O-N 2.97Å; V792-C794 VanDerWaalsContact C-N 3.33Å; V792-C794 PolarHBondContact O-N 3.44Å; C794-T798 WeakPolarHBondContact O-CB 3.46Å; C794-T798 PolarHBondContact O-N 2.86Å; C794-T798 PolarHBondContact O-OG1 2.9Å; C794-V856 HydrophobicContact CB-CG2 3.62Å
795	I	93.6	Very high	92.8	Very high	42 Å²	42	67.4 Å²	67.4	22%	0.215	36%	0.358	C	S	.	.	H	α-helix	trans	-62	-50.6	176.1	-73.1	162.9	0	0	0	110.6	I777 P791 V792 T798 A799 V856 M860	I777-I795 HydrophobicContact CD1-CD1 4.34Å; P791-I795 WeakPolarHBondContact O-CB 3.05Å; P791-I795 VanDerWaalsContact O-CG1 3.24Å; P791-I795 WeakPolarHBondContact O-CG1 3.37Å; P791-I795 PolarHBondContact O-N 3Å; V792-I795 PolarHBondContact O-N 3.05Å; I795-T798 PolarHBondContact O-N 2.82Å; I795-A799 WeakPolarHBondContact O-CB 3.37Å; I795-A799 PolarHBondContact O-N 2.94Å; I795-V856 HydrophobicContact CD1-CG1 4.12Å; I795-V856 HydrophobicContact CG1-CB 4.39Å; I795-V856 HydrophobicContact CG1-CG1 3.56Å; I795-V856 HydrophobicContact CG1-CG2 3.82Å; I795-M860 HydrophobicContact CD1-CE 4.35Å
796	L	94.3	Very high	92.9	Very high	112 Å²	112	69.9 Å²	69.9	59%	0.586	37%	0.371	S	S	*	.	H	α-helix	trans	-63.4	-45.2	-178.6	-68.5	172.9	0	0	0	111.9	V792 V793 A799 V800	V792-L796 HydrophobicContact CG1-CD1 4.11Å; V792-L796 WeakPolarHBondContact O-CG 3.41Å; V792-L796 PolarHBondContact O-N 3.39Å; V793-L796 PolarHBondContact O-N 2.84Å; L796-A799 PolarHBondContact O-N 3.16Å; L796-V800 WeakPolarHBondContact O-CG2 3.41Å; L796-V800 PolarHBondContact O-N 2.6Å; L796-V800 VanDerWaalsContact O-N 3.12Å
797	F	93.9	Very high	93.2	Very high	105 Å²	105	66.7 Å²	66.7	46%	0.461	36%	0.36	S	S	.	.	H	α-helix	trans	-58.8	-50	174.3	174.9	-99.5	0	0	0	111.5	V793 A799 V800 V801 I848	V793-F797 VanDerWaalsContact O-CB 3.29Å; V793-F797 WeakPolarHBondContact O-CB 3.28Å; V793-F797 PolarHBondContact O-N 2.04Å; F797-A799 VanDerWaalsContact C-N 3.33Å; F797-A799 PolarHBondContact O-N 2.8Å; F797-V800 PolarHBondContact O-N 2.92Å; F797-V801 HydrophobicContact CD1-CG2 4.38Å; F797-V801 HydrophobicContact CD2-CG2 4.35Å; F797-V801 HydrophobicContact CE1-CG2 3.98Å; F797-V801 HydrophobicContact CE2-CG2 3.95Å; F797-V801 HydrophobicContact CZ-CG2 3.75Å; F797-V801 WeakPolarHBondContact O-CG2 3.45Å; F797-V801 PolarHBondContact O-N 3.45Å; F797-I848 HydrophobicContact CE1-CG2 3.97Å; F797-I848 HydrophobicContact CZ-CG2 4.07Å
798	T	95.6	Very high	93.4	Very high	9 Å²	9	67 Å²	67	6%	0.055	36%	0.36	C	S	.	.	H	α-helix	trans	-61.7	-40.2	-178.5	-58.4	0	0	0	0	111.9	C794 I795 V801 W802 A849 G852 S853	C794-T798 WeakPolarHBondContact O-CB 3.46Å; C794-T798 PolarHBondContact O-N 2.86Å; C794-T798 PolarHBondContact O-OG1 2.9Å; I795-T798 PolarHBondContact O-N 2.82Å; T798-V801 PolarHBondContact O-N 3.02Å; T798-W802 WeakPolarHBondContact O-CB 3.46Å; T798-W802 PolarHBondContact O-N 2.9Å; T798-A849 WeakPolarHBondContact CG2-O 3.41Å; T798-G852 WeakPolarHBondContact OG1-CA 3.29Å; T798-S853 WeakPolarHBondContact CG2-OG 3.5Å
799	A	94.9	Very high	93.4	Very high	60 Å²	60	66.1 Å²	66.1	50%	0.496	36%	0.357	S	S	.	.	H	α-helix	trans	-65.2	-40.6	176.9	0	0	0	0	0	112.6	I795 L796 F797 W802 G803	I795-A799 WeakPolarHBondContact O-CB 3.37Å; I795-A799 PolarHBondContact O-N 2.94Å; L796-A799 PolarHBondContact O-N 3.16Å; F797-A799 VanDerWaalsContact C-N 3.33Å; F797-A799 PolarHBondContact O-N 2.8Å; A799-W802 PolarHBondContact O-N 2.9Å; A799-G803 PolarHBondContact O-N 2.82Å
800	V	96.7	Very high	93.4	Very high	88 Å²	88	68.8 Å²	68.8	53%	0.533	36%	0.357	S	S	.	.	H	α-helix	trans	-65.8	-45.4	176	170.8	0	0	0	0	111.3	L796 F797 W802 G803 F804	L796-V800 WeakPolarHBondContact O-CG2 3.41Å; L796-V800 PolarHBondContact O-N 2.6Å; L796-V800 VanDerWaalsContact O-N 3.12Å; F797-V800 PolarHBondContact O-N 2.92Å; V800-W802 VanDerWaalsContact C-N 3.35Å; V800-W802 PolarHBondContact O-N 2.84Å; V800-G803 PolarHBondContact O-N 2.94Å; V800-F804 HydrophobicContact CG1-CD2 4Å; V800-F804 HydrophobicContact CG1-CE2 3.67Å; V800-F804 VanDerWaalsContact O-CD2 3.27Å; V800-F804 WeakPolarHBondContact O-CD2 3.17Å; V800-F804 PolarHBondContact O-N 3.21Å
801	V	97.3	Very high	93.3	Very high	16 Å²	16	66 Å²	66	10%	0.097	34%	0.341	C	S	.	.	H	α-helix	trans	-64.5	-39	177.7	-177.7	0	0	0	0	111.2	F797 T798 G803 F804 A805 L845 I848 A849	F797-V801 HydrophobicContact CD1-CG2 4.38Å; F797-V801 HydrophobicContact CD2-CG2 4.35Å; F797-V801 HydrophobicContact CE1-CG2 3.98Å; F797-V801 HydrophobicContact CE2-CG2 3.95Å; F797-V801 HydrophobicContact CZ-CG2 3.75Å; F797-V801 WeakPolarHBondContact O-CG2 3.45Å; F797-V801 PolarHBondContact O-N 3.45Å; T798-V801 PolarHBondContact O-N 3.02Å; V801-G803 VanDerWaalsContact C-N 3.34Å; V801-G803 PolarHBondContact O-N 3.37Å; V801-F804 PolarHBondContact O-N 3.25Å; V801-A805 WeakPolarHBondContact O-CB 3.36Å; V801-A805 PolarHBondContact O-N 2.87Å; V801-L845 HydrophobicContact CG1-CB 4.19Å; V801-L845 HydrophobicContact CG1-CD2 4.14Å; V801-L845 VanDerWaalsContact CG1-O 3.23Å; V801-L845 WeakPolarHBondContact CG1-O 3.27Å; V801-I848 HydrophobicContact CG1-CB 4.31Å; V801-I848 HydrophobicContact CG1-CG2 4.11Å; V801-I848 HydrophobicContact CG2-CG2 4.49Å; V801-A849 HydrophobicContact CB-CB 4.32Å; V801-A849 HydrophobicContact CG1-CB 3.98Å
802	W	96.4	Very high	92.9	Very high	73 Å²	73	68 Å²	68	28%	0.277	36%	0.362	S	S	.	.	H	α-helix	trans	-60.4	-40.1	171.8	-92.3	122.5	0	0	0	113.2	T798 A799 V800 F804 A805 L806 A849 M850 S853	T798-W802 WeakPolarHBondContact O-CB 3.46Å; T798-W802 PolarHBondContact O-N 2.9Å; A799-W802 PolarHBondContact O-N 2.9Å; V800-W802 VanDerWaalsContact C-N 3.35Å; V800-W802 PolarHBondContact O-N 2.84Å; W802-F804 VanDerWaalsContact C-N 3.35Å; W802-F804 PolarHBondContact O-N 3Å; W802-A805 HydrophobicContact CE3-CB 4.11Å; W802-A805 HydrophobicContact CZ3-CB 4.49Å; W802-A805 PolarHBondContact O-N 2.74Å; W802-L806 HydrophobicContact CE3-CG 4.41Å; W802-L806 WeakPolarHBondContact O-CB 2.99Å; W802-L806 WeakPolarHBondContact O-CG 3.32Å; W802-L806 PolarHBondContact O-N 3.44Å; W802-A849 HydrophobicContact CD2-CB 3.68Å; W802-A849 HydrophobicContact CE3-CB 4.36Å; W802-A849 HydrophobicContact CG-CB 3.78Å; W802-A849 HydrophobicContact CZ2-CB 4.14Å; W802-M850 HydrophobicContact CH2-CG 4.22Å; W802-M850 HydrophobicContact CH2-SD 4.14Å; W802-M850 HydrophobicContact CZ2-CG 3.89Å; W802-M850 HydrophobicContact CZ2-SD 3.6Å; W802-S853 PolarHBondContact NE1-OG 2.89Å
803	G	95.5	Very high	92.4	Very high	45 Å²	45	65.6 Å²	65.6	46%	0.464	35%	0.347	S	S	.	.	H	α-helix	trans	-58.5	-44.9	176	0	0	0	0	0	112.6	A799 V800 V801 Y807	A799-G803 PolarHBondContact O-N 2.82Å; V800-G803 PolarHBondContact O-N 2.94Å; V801-G803 VanDerWaalsContact C-N 3.34Å; V801-G803 PolarHBondContact O-N 3.37Å; G803-Y807 PolarHBondContact O-N 2.96Å
804	F	96.1	Very high	92	Very high	120 Å²	120	63.9 Å²	63.9	53%	0.526	34%	0.339	S	S	.	.	H	α-helix	trans	-69.1	-40.9	174.1	-69.9	-66.9	0	0	0	112.6	V800 V801 W802 L806 Y807 F808 L845	V800-F804 HydrophobicContact CG1-CD2 4Å; V800-F804 HydrophobicContact CG1-CE2 3.67Å; V800-F804 VanDerWaalsContact O-CD2 3.27Å; V800-F804 WeakPolarHBondContact O-CD2 3.17Å; V800-F804 PolarHBondContact O-N 3.21Å; V801-F804 PolarHBondContact O-N 3.25Å; W802-F804 VanDerWaalsContact C-N 3.35Å; W802-F804 PolarHBondContact O-N 3Å; F804-L806 VanDerWaalsContact C-N 3.34Å; F804-L806 PolarHBondContact O-N 2.83Å; F804-Y807 WeakPolarHBondContact O-CB 3.21Å; F804-Y807 PolarHBondContact O-N 2.75Å; F804-F808 VanDerWaalsContact O-CD2 3.29Å; F804-F808 WeakPolarHBondContact O-CD2 3.3Å; F804-F808 PolarHBondContact O-N 2.92Å; F804-L845 HydrophobicContact CB-CD1 3.9Å
805	A	95.7	Very high	91.7	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-58.2	-46.3	177.1	0	0	0	0	0	111.6	V801 W802 Y807 F808 F809 L845	V801-A805 WeakPolarHBondContact O-CB 3.36Å; V801-A805 PolarHBondContact O-N 2.87Å; W802-A805 HydrophobicContact CE3-CB 4.11Å; W802-A805 HydrophobicContact CZ3-CB 4.49Å; W802-A805 PolarHBondContact O-N 2.74Å; A805-Y807 VanDerWaalsContact C-N 3.34Å; A805-Y807 PolarHBondContact O-N 3.42Å; A805-F808 PolarHBondContact O-N 3.18Å; A805-F809 PolarHBondContact O-N 3.38Å; A805-L845 HydrophobicContact CB-CB 3.75Å
806	L	92.6	Very high	91.3	Very high	77 Å²	77	63.8 Å²	63.8	40%	0.403	34%	0.337	S	S	.	.	H	α-helix	trans	-65.4	-34.5	178.8	-70	170.3	0	0	0	112.6	W802 F804 F808 F809 F810	W802-L806 HydrophobicContact CE3-CG 4.41Å; W802-L806 WeakPolarHBondContact O-CB 2.99Å; W802-L806 WeakPolarHBondContact O-CG 3.32Å; W802-L806 PolarHBondContact O-N 3.44Å; F804-L806 VanDerWaalsContact C-N 3.34Å; F804-L806 PolarHBondContact O-N 2.83Å; L806-F808 VanDerWaalsContact C-N 3.32Å; L806-F808 PolarHBondContact O-N 2.84Å; L806-F809 PolarHBondContact O-N 3.33Å; L806-F810 HydrophobicContact CB-CE2 4.43Å; L806-F810 WeakPolarHBondContact O-CD2 3.47Å; L806-F810 PolarHBondContact O-N 3.1Å
807	Y	94.4	Very high	90.8	Very high	141 Å²	141	62.1 Å²	62.1	55%	0.553	33%	0.326	S	S	*	.	H	α-helix	trans	-59	-42.5	173.7	172.5	-93	0	0	0	112.4	G803 F804 A805 Q811	G803-Y807 PolarHBondContact O-N 2.96Å; F804-Y807 WeakPolarHBondContact O-CB 3.21Å; F804-Y807 PolarHBondContact O-N 2.75Å; A805-Y807 VanDerWaalsContact C-N 3.34Å; A805-Y807 PolarHBondContact O-N 3.42Å; Y807-Q811 PolarHBondContact OH-NE2 2.93Å
808	F	93.8	Very high	90.5	Very high	41 Å²	41	61.2 Å²	61.2	18%	0.18	32%	0.322	C	S	.	.	H	α-helix	trans	-74.4	-39	178.1	-77	-70.9	0	0	0	112.6	F804 A805 L806 F810 Q811 D838 I841 W842 L845	F804-F808 VanDerWaalsContact O-CD2 3.29Å; F804-F808 WeakPolarHBondContact O-CD2 3.3Å; F804-F808 PolarHBondContact O-N 2.92Å; A805-F808 PolarHBondContact O-N 3.18Å; L806-F808 VanDerWaalsContact C-N 3.32Å; L806-F808 PolarHBondContact O-N 2.84Å; F808-F810 VanDerWaalsContact C-N 3.25Å; F808-F810 PolarHBondContact O-N 2.83Å; F808-Q811 VanDerWaalsContact O-CB 3.32Å; F808-Q811 WeakPolarHBondContact O-CB 3.37Å; F808-Q811 WeakPolarHBondContact O-CG 3.42Å; F808-Q811 PolarHBondContact O-N 2.96Å; F808-D838 WeakPolarHBondContact CB-O 3.2Å; F808-D838 HydrophobicContact CD1-CB 4.01Å; F808-D838 WeakPolarHBondContact CD1-OD1 3.02Å; F808-D838 WeakPolarHBondContact CE1-OD1 3.33Å; F808-I841 HydrophobicContact CD1-CB 4.26Å; F808-I841 HydrophobicContact CD1-CG2 4.09Å; F808-I841 HydrophobicContact CD2-CG2 3.6Å; F808-I841 HydrophobicContact CE1-CB 4.43Å; F808-I841 HydrophobicContact CE1-CD1 4.11Å; F808-I841 HydrophobicContact CE1-CG2 4.06Å; F808-I841 HydrophobicContact CE2-CG2 3.56Å; F808-I841 HydrophobicContact CG-CB 4.31Å; F808-I841 HydrophobicContact CG-CG2 3.88Å; F808-I841 HydrophobicContact CZ-CD1 4.45Å; F808-I841 HydrophobicContact CZ-CG2 3.8Å; F808-W842 HydrophobicContact CB-CB 4.03Å; F808-L845 HydrophobicContact CD2-CD1 3.67Å; F808-L845 HydrophobicContact CE2-CD1 4.01Å
809	F	89.9	Confident	90.3	Very high	85 Å²	85	62.5 Å²	62.5	37%	0.373	33%	0.329	S	S	.	.	H	α-helix	trans	-53	-40.6	175.3	179.7	-108.4	0	0	0	113.1	A805 L806 Q811 W842	A805-F809 PolarHBondContact O-N 3.38Å; L806-F809 PolarHBondContact O-N 3.33Å; F809-Q811 VanDerWaalsContact C-N 3.28Å; F809-Q811 PolarHBondContact O-N 3.19Å; F809-W842 HydrophobicContact CB-CD2 4.48Å; F809-W842 HydrophobicContact CB-CG 4.17Å; F809-W842 AromaticContact CD2-CD2 3.95Å; F809-W842 HydrophobicContact CD2-CD2 3.95Å; F809-W842 AromaticContact CD2-CE2 3.51Å; F809-W842 HydrophobicContact CD2-CE3 4.4Å; F809-W842 HydrophobicContact CD2-CH2 4.07Å; F809-W842 AromaticContact CD2-CZ2 3.58Å; F809-W842 HydrophobicContact CD2-CZ2 3.58Å; F809-W842 HydrophobicContact CD2-CZ3 4.45Å; F809-W842 AromaticContact CD2-NE1 3.86Å; F809-W842 HydrophobicContact CE2-CH2 4.09Å; F809-W842 AromaticContact CE2-CZ2 3.85Å; F809-W842 HydrophobicContact CE2-CZ2 3.85Å
810	F	88.6	Confident	90.2	Very high	158 Å²	158	60.6 Å²	60.6	69%	0.693	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	5.3	-179.7	-66.8	-58.8	0	0	0	115	L806 F808	L806-F810 HydrophobicContact CB-CE2 4.43Å; L806-F810 WeakPolarHBondContact O-CD2 3.47Å; L806-F810 PolarHBondContact O-N 3.1Å; F808-F810 VanDerWaalsContact C-N 3.25Å; F808-F810 PolarHBondContact O-N 2.83Å
811	Q	86.2	Confident	90.1	Very high	44 Å²	44	56.4 Å²	56.4	21%	0.206	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-26	178.9	-69.4	-65.1	-25.6	0	0	114.4	Y807 F808 F809 R828 D838	Y807-Q811 PolarHBondContact OH-NE2 2.93Å; F808-Q811 VanDerWaalsContact O-CB 3.32Å; F808-Q811 WeakPolarHBondContact O-CB 3.37Å; F808-Q811 WeakPolarHBondContact O-CG 3.42Å; F808-Q811 PolarHBondContact O-N 2.96Å; F809-Q811 VanDerWaalsContact C-N 3.28Å; F809-Q811 PolarHBondContact O-N 3.19Å; Q811-R828 PolarHBondContact O-NH2 2.72Å; Q811-R828 VanDerWaalsContact O-NH2 3.14Å; Q811-R828 VanDerWaalsContact OE1-NH2 3.1Å; Q811-D838 HydrophobicContact CB-CB 3.84Å; Q811-D838 HydrophobicContact CG-CB 4.03Å
812	G	79.8	Confident	89.9	Confident	44 Å²	44	58 Å²	58	45%	0.454	29%	0.293	S	S	.	.			trans	62.5	53.7	166.4	0	0	0	0	0	116.3	S814	G812-S814 VanDerWaalsContact C-N 3.35Å; G812-S814 PolarHBondContact O-N 2.66Å
813	L	82.3	Confident	89.8	Confident	8 Å²	8	54.7 Å²	54.7	4%	0.042	28%	0.281	C	S	.	.			trans	-68	-25.2	-176.1	-64.8	-178.8	0	0	0	115.6	N530 H826 N827 R828 D837 D838 H839	N530-L813 HydrophobicContact CB-CB 4.48Å; L813-H826 CarbonylContact O-C 3.58Å; L813-H826 WeakPolarHBondContact O-CB 3.45Å; L813-N827 PolarHBondContact O-OD1 3.07Å; L813-R828 HydrophobicContact CD2-CB 4.04Å; L813-R828 VanDerWaalsContact CD2-CD 3.45Å; L813-R828 HydrophobicContact CD2-CG 3.61Å; L813-D837 HydrophobicContact CD1-CB 3.66Å; L813-D837 WeakPolarHBondContact CD1-OD1 3.37Å; L813-D837 VanDerWaalsContact CD1-OD2 3.26Å; L813-D837 WeakPolarHBondContact CD1-OD2 3.29Å; L813-D838 HydrophobicContact CD1-CB 3.85Å; L813-D838 HydrophobicContact CG-CB 4.23Å; L813-H839 HydrophobicContact CD1-CB 4.45Å
814	S	83.6	Confident	89.7	Confident	49 Å²	49	52.7 Å²	52.7	34%	0.343	26%	0.259	S	S	.	.			trans	-152.5	147.2	-177.2	56.6	0	0	0	0	110.8	Y528 G812	Y528-S814 WeakPolarHBondContact O-CB 3.4Å; G812-S814 VanDerWaalsContact C-N 3.35Å; G812-S814 PolarHBondContact O-N 2.66Å
815	T	85	Confident	89.4	Confident	35 Å²	35	49.4 Å²	49.4	22%	0.215	25%	0.246	C	C	.	.			trans	-148.2	126.3	177.5	179.4	0	0	0	0	113.2	Y528 Q817 K818 S823	Y528-T815 VanDerWaalsContact CD1-O 3.3Å; Y528-T815 WeakPolarHBondContact CD1-O 3.43Å; T815-Q817 PolarHBondContact O-N 3.29Å; T815-Q817 WeakPolarHBondContact OG1-CB 3.28Å; T815-Q817 PolarHBondContact OG1-N 3.41Å; T815-K818 HydrophobicContact CG2-CB 4.38Å; T815-K818 HydrophobicContact CG2-CD 4.3Å; T815-K818 HydrophobicContact CG2-CG 4.03Å; T815-S823 PolarHBondContact N-OG 2.89Å
816	W	84	Confident	89.2	Confident	30 Å²	30	54 Å²	54	11%	0.114	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-5.1	173.5	56.2	-107.1	0	0	0	113.6	Y528 Y616 F619 D756 K818	Y528-W816 HydrophobicContact CD1-CB 4.43Å; Y528-W816 HydrophobicContact CD2-CB 4.15Å; Y528-W816 HydrophobicContact CE2-CB 4.25Å; Y528-W816 HydrophobicContact CG-CB 4.25Å; Y616-W816 AromaticContact CD2-CE3 3.73Å; Y616-W816 HydrophobicContact CD2-CE3 3.73Å; Y616-W816 HydrophobicContact CD2-CH2 4.23Å; Y616-W816 AromaticContact CD2-CZ3 3.58Å; Y616-W816 HydrophobicContact CD2-CZ3 3.58Å; Y616-W816 HydrophobicContact CE2-CZ3 4.22Å; Y616-W816 HydrophobicContact CG-CE3 4.37Å; F619-W816 AromaticContact CD1-CZ2 3.61Å; F619-W816 HydrophobicContact CD1-CZ2 3.61Å; F619-W816 AromaticContact CD2-NE1 3.6Å; F619-W816 AromaticContact CE1-CZ2 3.82Å; F619-W816 HydrophobicContact CE1-CZ2 3.82Å; F619-W816 HydrophobicContact CG-CZ2 4.08Å; F619-W816 AromaticContact CG-NE1 3.59Å; F619-W816 HydrophobicContact CZ-CZ2 4.45Å; D756-W816 HydrophobicContact CB-CH2 3.84Å; D756-W816 HydrophobicContact CB-CZ2 3.98Å; W816-K818 VanDerWaalsContact C-N 3.32Å
817	Q	83.8	Confident	89.3	Confident	76 Å²	76	50.5 Å²	50.5	36%	0.355	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-23.6	179.5	-60	-178.2	16.9	0	0	112.9	N755 T815	N755-Q817 HydrophobicContact CB-CG 4.46Å; T815-Q817 PolarHBondContact O-N 3.29Å; T815-Q817 WeakPolarHBondContact OG1-CB 3.28Å; T815-Q817 PolarHBondContact OG1-N 3.41Å
818	K	88.2	Confident	89.2	Confident	87 Å²	87	48.3 Å²	48.3	38%	0.378	24%	0.239	S	C	.	.	S	Bend	trans	-102.7	178.8	175.7	-60	-166.4	-178.1	-166.2	0	110.9	Y528 T815 W816 E822 H826	Y528-K818 WeakPolarHBondContact CE1-O 3.27Å; Y528-K818 PolarHBondContact OH-O 3.21Å; T815-K818 HydrophobicContact CG2-CB 4.38Å; T815-K818 HydrophobicContact CG2-CD 4.3Å; T815-K818 HydrophobicContact CG2-CG 4.03Å; W816-K818 VanDerWaalsContact C-N 3.32Å; K818-E822 HydrophobicContact CB-CB 3.93Å; K818-E822 HydrophobicContact CD-CB 3.81Å; K818-H826 WeakPolarHBondContact CE-NE2 3.42Å; K818-H826 PolarHBondContact NZ-NE2 2.9Å
819	T	91.3	Very high	89.1	Confident	35 Å²	35	50.4 Å²	50.4	22%	0.215	25%	0.253	C	S	.	.			trans	-68.6	158.5	168.6	64.8	0	0	0	0	112.1	A821 E822 S823	T819-A821 VanDerWaalsContact C-N 3.26Å; T819-A821 PolarHBondContact O-N 3.19Å; T819-E822 WeakPolarHBondContact CB-OE2 3.36Å; T819-E822 WeakPolarHBondContact CG2-OE2 3.49Å; T819-E822 PolarHBondContact N-OE2 3.25Å; T819-E822 PolarHBondContact O-N 3.13Å; T819-E822 WeakPolarHBondContact OG1-CG 3.37Å; T819-E822 PolarHBondContact OG1-N 2.71Å; T819-E822 PolarHBondContact OG1-OE2 3.31Å; T819-S823 PolarHBondContact O-N 2.89Å
820	P	93.3	Very high	89.2	Confident	21 Å²	21	47.6 Å²	47.6	14%	0.136	24%	0.243	C	C	.	.	H	α-helix	trans	-56.2	-40.4	177	-27.2	36.6	0	0	0	112.7	D525 Y528 S823 R824	D525-P820 HydrophobicContact CB-CB 4.02Å; D525-P820 HydrophobicContact CB-CG 3.96Å; D525-P820 VanDerWaalsContact O-CG 3.27Å; D525-P820 WeakPolarHBondContact O-CG 3.18Å; Y528-P820 HydrophobicContact CE1-CB 4.29Å; Y528-P820 HydrophobicContact CE1-CG 3.96Å; Y528-P820 HydrophobicContact CE2-CG 4.39Å; Y528-P820 WeakPolarHBondContact OH-CD 3.43Å; P820-S823 PolarHBondContact O-N 3.13Å; P820-R824 WeakPolarHBondContact O-CG 3.33Å; P820-R824 PolarHBondContact O-N 2.92Å; P820-R824 PolarHBondContact O-NH1 3.39Å
821	A	93.6	Very high	89.4	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-58.9	-46.8	176.8	0	0	0	0	0	112.8	T248 C278 T819 R824	T248-A821 HydrophobicContact CG2-CB 4.18Å; T248-A821 PolarHBondContact OG1-O 3.03Å; C278-A821 HydrophobicContact CB-CB 3.73Å; T819-A821 VanDerWaalsContact C-N 3.26Å; T819-A821 PolarHBondContact O-N 3.19Å; A821-R824 PolarHBondContact O-N 3.05Å
822	E	93.1	Very high	89.6	Confident	49 Å²	49	45.1 Å²	45.1	23%	0.229	24%	0.237	C	C	.	.	H	α-helix	trans	-71.8	-34.4	177.9	-65.7	167.2	90.7	0	0	112.8	T248 K818 T819 R824 E825	T248-E822 HydrophobicContact CG2-CG 4.4Å; K818-E822 HydrophobicContact CB-CB 3.93Å; K818-E822 HydrophobicContact CD-CB 3.81Å; T819-E822 WeakPolarHBondContact CB-OE2 3.36Å; T819-E822 WeakPolarHBondContact CG2-OE2 3.49Å; T819-E822 PolarHBondContact N-OE2 3.25Å; T819-E822 PolarHBondContact O-N 3.13Å; T819-E822 WeakPolarHBondContact OG1-CG 3.37Å; T819-E822 PolarHBondContact OG1-N 2.71Å; T819-E822 PolarHBondContact OG1-OE2 3.31Å; E822-R824 PolarHBondContact O-N 3.15Å; E822-E825 WeakPolarHBondContact O-CB 3.17Å; E822-E825 PolarHBondContact O-N 3.38Å
823	S	94	Very high	90.1	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-59.5	-37.5	175.1	-176.1	0	0	0	0	110.8	T815 T819 P820 E825 H826	T815-S823 PolarHBondContact N-OG 2.89Å; T819-S823 PolarHBondContact O-N 2.89Å; P820-S823 PolarHBondContact O-N 3.13Å; S823-E825 PolarHBondContact O-N 3Å; S823-H826 PolarHBondContact O-N 3.33Å; S823-H826 VanDerWaalsContact O-N 3.11Å
824	R	93.4	Very high	90.5	Very high	3 Å²	3	48.5 Å²	48.5	1%	0.011	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-65.1	-17.6	179.8	-70.5	168.9	-175.2	115.8	4.1	114.3	T246 K250 Q524 D525 F531 P820 A821 E822 H826 N827	T246-R824 PolarHBondContact O-NH1 2.7Å; K250-R824 WeakPolarHBondContact CD-O 3.43Å; K250-R824 WeakPolarHBondContact O-CB 3.38Å; Q524-R824 PolarHBondContact O-NH2 2.86Å; D525-R824 IonicContact OD1-CZ 3.57Å; D525-R824 IonicContact OD1-NH1 3.18Å; D525-R824 PolarHBondContact OD1-NH1 3.38Å; D525-R824 IonicContact OD1-NH2 3.68Å; D525-R824 PolarHBondContact OD1-NH2 2.99Å; F531-R824 HydrophobicContact CD2-CG 4.12Å; F531-R824 HydrophobicContact CE2-CG 4.47Å; P820-R824 WeakPolarHBondContact O-CG 3.33Å; P820-R824 PolarHBondContact O-N 2.92Å; P820-R824 PolarHBondContact O-NH1 3.39Å; A821-R824 PolarHBondContact O-N 3.05Å; E822-R824 PolarHBondContact O-N 3.15Å; R824-H826 PolarHBondContact O-N 2.95Å; R824-N827 WeakPolarHBondContact O-CB 3.4Å; R824-N827 PolarHBondContact O-N 3.1Å
825	E	91.7	Very high	90.9	Very high	52 Å²	52	46.1 Å²	46.1	24%	0.243	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-61.7	-31.2	172.5	-61.9	-170	-148.9	0	0	111.9	N216 T248 K249 K250 E822 S823	N216-E825 VanDerWaalsContact ND2-CD 3.26Å; N216-E825 PolarHBondContact ND2-OE1 2.97Å; N216-E825 PolarHBondContact ND2-OE2 2.73Å; T248-E825 VanDerWaalsContact CB-OE1 3.25Å; T248-E825 WeakPolarHBondContact CB-OE1 3.46Å; T248-E825 VanDerWaalsContact OG1-CD 3.3Å; T248-E825 VanDerWaalsContact OG1-CG 3.3Å; T248-E825 WeakPolarHBondContact OG1-CG 3.5Å; T248-E825 PolarHBondContact OG1-OE1 2.84Å; K249-E825 HydrophobicContact CB-CG 4.27Å; K250-E825 WeakPolarHBondContact CE-O 3.42Å; K250-E825 PolarHBondContact NZ-O 3.15Å; E822-E825 WeakPolarHBondContact O-CB 3.17Å; E822-E825 PolarHBondContact O-N 3.38Å; S823-E825 PolarHBondContact O-N 3Å
826	H	91.1	Very high	91.3	Very high	95 Å²	95	44.5 Å²	44.5	44%	0.44	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-80.5	-15.8	-179.8	-64	-82.8	0	0	0	114.2	L813 K818 S823 R824 R828	L813-H826 CarbonylContact O-C 3.58Å; L813-H826 WeakPolarHBondContact O-CB 3.45Å; K818-H826 WeakPolarHBondContact CE-NE2 3.42Å; K818-H826 PolarHBondContact NZ-NE2 2.9Å; S823-H826 PolarHBondContact O-N 3.33Å; S823-H826 VanDerWaalsContact O-N 3.11Å; R824-H826 PolarHBondContact O-N 2.95Å; H826-R828 WeakPolarHBondContact O-CG 3.39Å
827	N	93.6	Very high	91.8	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.027	22%	0.22	C	C	.	.			trans	-56.4	139.5	-178.1	-67.5	7.4	0	0	0	112.2	K250 Y529 N530 F531 L532 L813 R824	K250-N827 PolarHBondContact NZ-O 2.86Å; Y529-N827 PolarHBondContact O-ND2 2.88Å; N530-N827 WeakPolarHBondContact OD1-CA 3.43Å; N530-N827 VanDerWaalsContact OD1-CB 3.28Å; N530-N827 WeakPolarHBondContact OD1-CB 3.43Å; F531-N827 PolarHBondContact N-ND2 2.92Å; F531-N827 VanDerWaalsContact N-ND2 3.12Å; L532-N827 HydrophobicContact CD1-CB 4.06Å; L532-N827 HydrophobicContact CG-CB 4.23Å; L813-N827 PolarHBondContact O-OD1 3.07Å; R824-N827 WeakPolarHBondContact O-CB 3.4Å; R824-N827 PolarHBondContact O-N 3.1Å
828	R	92.3	Very high	92.2	Very high	94 Å²	94	40.1 Å²	40.1	36%	0.355	21%	0.205	S	C	.	.			trans	-134.9	147.1	-179.5	-52.9	-177.2	-164.2	166.9	-5.1	110.2	N530 L532 Q811 L813 H826 D838	N530-R828 PolarHBondContact ND2-O 2.85Å; N530-R828 PolarHBondContact OD1-N 2.85Å; N530-R828 VanDerWaalsContact OD1-N 3.08Å; N530-R828 PolarHBondContact OD1-O 3.21Å; N530-R828 VanDerWaalsContact OD1-O 3.09Å; L532-R828 WeakPolarHBondContact CB-O 3.33Å; Q811-R828 PolarHBondContact O-NH2 2.72Å; Q811-R828 VanDerWaalsContact O-NH2 3.14Å; Q811-R828 VanDerWaalsContact OE1-NH2 3.1Å; L813-R828 HydrophobicContact CD2-CB 4.04Å; L813-R828 VanDerWaalsContact CD2-CD 3.45Å; L813-R828 HydrophobicContact CD2-CG 3.61Å; H826-R828 WeakPolarHBondContact O-CG 3.39Å; R828-D838 IonicContact CZ-OD2 2.96Å; R828-D838 IonicContact NH1-OD2 2.74Å; R828-D838 PolarHBondContact NH1-OD2 2.85Å
829	D	92.4	Very high	92.4	Very high	86 Å²	86	38.4 Å²	38.4	46%	0.46	20%	0.198	S	C	.	.			trans	-63.4	153.5	171.2	-56.4	-85.1	0	0	0	111.6	K210	K210-D829 IonicContact NZ-OD1 3.57Å; K210-D829 PolarHBondContact NZ-OD1 2.93Å
830	C	92.9	Very high	92.6	Very high	26 Å²	26	36.7 Å²	36.7	18%	0.176	19%	0.187	C	C	.	.			trans	-59	139.7	-177.5	-54.3	0	0	0	0	113.5	C533 H535	C533-C830 WeakPolarHBondContact CA-SG 3.38Å; C533-C830 HydrophobicContact CB-CB 4.12Å; C533-C830 WeakPolarHBondContact CB-SG 3.37Å; C533-C830 WeakPolarHBondContact SG-CA 3.39Å; C533-C830 WeakPolarHBondContact SG-CB 3.3Å; C533-C830 CovalentContact SG-SG 2.03Å; C533-C830 PolarHBondContact SG-SG 3.07Å; H535-C830 PolarHBondContact NE2-SG 2.82Å
831	I	91.6	Very high	92.7	Very high	99 Å²	99	36.7 Å²	36.7	51%	0.508	19%	0.186	S	C	.	.			trans	-95.9	-52	-177.6	-59.7	174.6	0	0	0	111	F836 D838	I831-F836 PolarHBondContact N-O 3.46Å; I831-D838 VanDerWaalsContact CD1-OD1 3.28Å; I831-D838 WeakPolarHBondContact CD1-OD1 3.38Å
832	L	91.1	Very high	92.8	Very high	50 Å²	50	37.4 Å²	37.4	26%	0.262	19%	0.189	S	C	.	.	B	Isolated β-bridge	trans	-95.1	123	-171.9	176.2	62.3	0	0	0	110.7	F321 S834 F835 F836 I841	F321-L832 HydrophobicContact CE1-CD2 3.79Å; F321-L832 HydrophobicContact CE1-CG 4.41Å; F321-L832 HydrophobicContact CZ-CD1 4.28Å; F321-L832 HydrophobicContact CZ-CD2 4.05Å; L832-S834 PolarHBondContact O-N 3.42Å; L832-F835 PolarHBondContact O-N 3.2Å; L832-F836 HydrophobicContact CB-CB 4.17Å; L832-F836 HydrophobicContact CD2-CD2 4.42Å; L832-F836 HydrophobicContact CG-CD2 4.4Å; L832-F836 PolarHBondContact N-O 2.78Å; L832-F836 PolarHBondContact O-N 2.95Å; L832-I841 HydrophobicContact CB-CD1 3.97Å; L832-I841 HydrophobicContact CB-CG1 4.29Å; L832-I841 HydrophobicContact CD2-CD1 4.41Å; L832-I841 HydrophobicContact CD2-CG1 3.98Å
833	L	89.9	Confident	92.9	Very high	59 Å²	59	35.1 Å²	35.1	31%	0.309	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	9.2	-178.6	-60.8	168.9	0	0	0	115.6	I317 F321 F835 F836	I317-L833 HydrophobicContact CG2-CD1 4.25Å; I317-L833 HydrophobicContact CG2-CD2 4.19Å; F321-L833 HydrophobicContact CB-CD1 3.68Å; F321-L833 HydrophobicContact CD1-CD1 3.68Å; F321-L833 HydrophobicContact CD2-CD1 3.85Å; F321-L833 HydrophobicContact CE1-CD1 4.21Å; F321-L833 HydrophobicContact CE2-CD1 4.35Å; F321-L833 HydrophobicContact CG-CD1 3.47Å; F321-L833 VanDerWaalsContact CG-CD1 3.47Å; L833-F835 HydrophobicContact CB-CB 4.44Å; L833-F836 HydrophobicContact CD1-CE2 4.47Å
834	S	89.7	Confident	93	Very high	64 Å²	64	35.5 Å²	35.5	45%	0.448	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	31.5	-164.6	-45.7	0	0	0	0	113.1	I310 H535 L832	I310-S834 WeakPolarHBondContact CG2-O 3.38Å; H535-S834 PolarHBondContact NE2-O 2.76Å; L832-S834 PolarHBondContact O-N 3.42Å
835	F	92.3	Very high	93.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.4	-27.1	-175.2	-168.7	-88.4	0	0	0	114.3	I310 Y315 H535 F543 N544 L547 L832 L833	I310-F835 HydrophobicContact CD1-CD2 3.44Å; I310-F835 VanDerWaalsContact CD1-CD2 3.44Å; I310-F835 HydrophobicContact CD1-CE2 3.59Å; Y315-F835 AromaticContact CD1-CE2 3.54Å; Y315-F835 HydrophobicContact CD1-CE2 3.54Å; Y315-F835 AromaticContact CD1-CZ 3.89Å; Y315-F835 HydrophobicContact CD1-CZ 3.89Å; Y315-F835 HydrophobicContact CD2-CE2 4.4Å; Y315-F835 AromaticContact CE1-CE2 3.88Å; Y315-F835 HydrophobicContact CE1-CE2 3.88Å; Y315-F835 HydrophobicContact CE1-CZ 4.27Å; Y315-F835 AromaticContact CG-CE2 3.81Å; Y315-F835 HydrophobicContact CG-CE2 3.81Å; Y315-F835 HydrophobicContact CG-CZ 4.49Å; H535-F835 HydrophobicContact CB-CE2 4.4Å; H535-F835 AromaticContact CD2-CD2 3.79Å; H535-F835 PolarHBondContact CD2-O 2.69Å; F543-F835 HydrophobicContact CD1-CZ 4.24Å; N544-F835 HydrophobicContact CB-CD1 4.04Å; N544-F835 HydrophobicContact CB-CE1 3.58Å; N544-F835 HydrophobicContact CB-CZ 4.09Å; N544-F835 WeakPolarHBondContact CB-O 3.29Å; L547-F835 HydrophobicContact CD2-CE1 3.9Å; L832-F835 PolarHBondContact O-N 3.2Å; L833-F835 HydrophobicContact CB-CB 4.44Å
836	F	94.4	Very high	93.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-121.4	143.7	-179	-60.3	-69.8	0	0	0	110.5	F321 N544 L547 I831 L832 L833 D840 F844	F321-F836 HydrophobicContact CD1-CE2 4.17Å; N544-F836 HydrophobicContact CB-CD1 4.37Å; L547-F836 HydrophobicContact CB-CE1 4.41Å; L547-F836 HydrophobicContact CD2-CE1 4.07Å; L547-F836 HydrophobicContact CD2-CZ 3.73Å; L547-F836 HydrophobicContact CG-CE1 4.26Å; L547-F836 HydrophobicContact CG-CZ 4.18Å; I831-F836 PolarHBondContact N-O 3.46Å; L832-F836 HydrophobicContact CB-CB 4.17Å; L832-F836 HydrophobicContact CD2-CD2 4.42Å; L832-F836 HydrophobicContact CG-CD2 4.4Å; L832-F836 PolarHBondContact N-O 2.78Å; L832-F836 PolarHBondContact O-N 2.95Å; L833-F836 HydrophobicContact CD1-CE2 4.47Å; F836-D840 WeakPolarHBondContact CA-OD2 3.43Å; F836-D840 HydrophobicContact CB-CB 3.7Å; F836-D840 HydrophobicContact CD1-CB 3.77Å; F836-D840 HydrophobicContact CG-CB 4.16Å; F836-F844 HydrophobicContact CD1-CE2 4.06Å; F836-F844 HydrophobicContact CD1-CZ 4.09Å; F836-F844 AromaticContact CD2-CE2 3.96Å; F836-F844 HydrophobicContact CD2-CE2 3.96Å; F836-F844 HydrophobicContact CD2-CZ 4.31Å; F836-F844 HydrophobicContact CE1-CE2 4.11Å; F836-F844 AromaticContact CE1-CZ 3.68Å; F836-F844 HydrophobicContact CE1-CZ 3.68Å; F836-F844 HydrophobicContact CE2-CE2 4.02Å; F836-F844 AromaticContact CE2-CZ 3.93Å; F836-F844 HydrophobicContact CE2-CZ 3.93Å; F836-F844 AromaticContact CG-CE2 3.98Å; F836-F844 HydrophobicContact CG-CE2 3.98Å; F836-F844 HydrophobicContact CG-CZ 4.38Å; F836-F844 HydrophobicContact CZ-CE2 4.1Å; F836-F844 AromaticContact CZ-CZ 3.59Å; F836-F844 HydrophobicContact CZ-CZ 3.59Å
837	D	93.6	Very high	93.7	Very high	8 Å²	8	30.3 Å²	30.3	4%	0.043	16%	0.157	C	C	.	.			trans	-104.7	-173.6	176	72.1	21.6	0	0	0	113.7	N530 C533 L813 H839 D840 I841	N530-D837 PolarHBondContact ND2-OD2 2.86Å; C533-D837 HydrophobicContact CB-CB 4.1Å; L813-D837 HydrophobicContact CD1-CB 3.66Å; L813-D837 WeakPolarHBondContact CD1-OD1 3.37Å; L813-D837 VanDerWaalsContact CD1-OD2 3.26Å; L813-D837 WeakPolarHBondContact CD1-OD2 3.29Å; D837-H839 PolarHBondContact O-N 2.84Å; D837-H839 WeakPolarHBondContact OD1-CB 3.24Å; D837-H839 PolarHBondContact OD1-N 2.78Å; D837-D840 PolarHBondContact N-OD2 2.74Å; D837-D840 PolarHBondContact O-N 2.96Å; D837-D840 PolarHBondContact OD1-N 2.99Å; D837-I841 WeakPolarHBondContact O-CD1 3.35Å; D837-I841 VanDerWaalsContact O-CG1 3.26Å; D837-I841 WeakPolarHBondContact O-CG1 3.39Å; D837-I841 PolarHBondContact O-N 3.3Å; D837-I841 VanDerWaalsContact O-N 3.07Å
838	D	93.7	Very high	93.9	Very high	7 Å²	7	31 Å²	31	4%	0.037	16%	0.16	C	C	.	.	H	α-helix	trans	-54	-35.9	178.9	-67.1	-65.6	0	0	0	112.4	F808 Q811 L813 R828 I831 I841 W842	F808-D838 WeakPolarHBondContact CB-O 3.2Å; F808-D838 HydrophobicContact CD1-CB 4.01Å; F808-D838 WeakPolarHBondContact CD1-OD1 3.02Å; F808-D838 WeakPolarHBondContact CE1-OD1 3.33Å; Q811-D838 HydrophobicContact CB-CB 3.84Å; Q811-D838 HydrophobicContact CG-CB 4.03Å; L813-D838 HydrophobicContact CD1-CB 3.85Å; L813-D838 HydrophobicContact CG-CB 4.23Å; R828-D838 IonicContact CZ-OD2 2.96Å; R828-D838 IonicContact NH1-OD2 2.74Å; R828-D838 PolarHBondContact NH1-OD2 2.85Å; I831-D838 VanDerWaalsContact CD1-OD1 3.28Å; I831-D838 WeakPolarHBondContact CD1-OD1 3.38Å; D838-I841 PolarHBondContact O-N 2.99Å; D838-W842 PolarHBondContact O-N 2.84Å
839	H	92.4	Very high	94.1	Very high	50 Å²	50	26.5 Å²	26.5	23%	0.231	14%	0.143	C	C	.	.	H	α-helix	trans	-80.1	-36.4	-175.2	-165.4	90.4	0	0	0	111.9	H611 L813 D837 I841 W842 H843	H611-H839 AromaticContact CE1-CD2 3.66Å; H611-H839 AromaticContact CE1-CE1 3.82Å; H611-H839 AromaticContact CE1-NE2 3.04Å; H611-H839 PolarHBondContact CE1-NE2 2.97Å; H611-H839 AromaticContact NE2-CD2 3.85Å; H611-H839 AromaticContact NE2-CE1 4Å; H611-H839 AromaticContact NE2-NE2 3.05Å; H611-H839 PolarHBondContact NE2-NE2 2.98Å; L813-H839 HydrophobicContact CD1-CB 4.45Å; D837-H839 PolarHBondContact O-N 2.84Å; D837-H839 WeakPolarHBondContact OD1-CB 3.24Å; D837-H839 PolarHBondContact OD1-N 2.78Å; H839-I841 VanDerWaalsContact C-N 3.31Å; H839-I841 PolarHBondContact O-N 2.94Å; H839-W842 AromaticContact CE1-CE3 3.38Å; H839-W842 AromaticContact CE1-CZ3 3.38Å; H839-W842 WeakPolarHBondContact CE1-CZ3 3.35Å; H839-W842 AromaticContact ND1-CE3 3.92Å; H839-W842 AromaticContact NE2-CE3 3.51Å; H839-W842 AromaticContact NE2-CZ3 3.48Å; H839-W842 WeakPolarHBondContact NE2-CZ3 3.19Å; H839-W842 WeakPolarHBondContact O-CB 3.41Å; H839-W842 PolarHBondContact O-N 2.9Å; H839-H843 AromaticContact CD2-CD2 3.65Å; H839-H843 AromaticContact NE2-CD2 3.88Å; H839-H843 PolarHBondContact O-CD2 3.4Å; H839-H843 PolarHBondContact O-N 2.81Å; H839-H843 VanDerWaalsContact O-N 3.12Å
840	D	94.7	Very high	94.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.1	-39.7	168.3	-77.3	-39.9	0	0	0	112.1	N544 N545 S548 F836 D837 W842 H843 F844	N544-D840 PolarHBondContact ND2-OD2 3.39Å; N545-D840 WeakPolarHBondContact CA-OD1 3.49Å; S548-D840 WeakPolarHBondContact CB-OD1 3.33Å; S548-D840 PolarHBondContact OG-OD1 2.87Å; F836-D840 WeakPolarHBondContact CA-OD2 3.43Å; F836-D840 HydrophobicContact CB-CB 3.7Å; F836-D840 HydrophobicContact CD1-CB 3.77Å; F836-D840 HydrophobicContact CG-CB 4.16Å; D837-D840 PolarHBondContact N-OD2 2.74Å; D837-D840 PolarHBondContact O-N 2.96Å; D837-D840 PolarHBondContact OD1-N 2.99Å; D840-W842 VanDerWaalsContact C-N 3.34Å; D840-H843 PolarHBondContact O-N 3.4Å; D840-F844 WeakPolarHBondContact O-CD2 3.14Å; D840-F844 PolarHBondContact O-N 3Å; D840-F844 VanDerWaalsContact O-N 3.13Å
841	I	95.3	Very high	94.4	Very high	21 Å²	21	23.3 Å²	23.3	11%	0.108	12%	0.123	C	C	.	.	H	α-helix	trans	-66.5	-37.1	176.2	-64.3	163.2	0	0	0	110.8	F808 L832 D837 D838 H839 F844 L845	F808-I841 HydrophobicContact CD1-CB 4.26Å; F808-I841 HydrophobicContact CD1-CG2 4.09Å; F808-I841 HydrophobicContact CD2-CG2 3.6Å; F808-I841 HydrophobicContact CE1-CB 4.43Å; F808-I841 HydrophobicContact CE1-CD1 4.11Å; F808-I841 HydrophobicContact CE1-CG2 4.06Å; F808-I841 HydrophobicContact CE2-CG2 3.56Å; F808-I841 HydrophobicContact CG-CB 4.31Å; F808-I841 HydrophobicContact CG-CG2 3.88Å; F808-I841 HydrophobicContact CZ-CD1 4.45Å; F808-I841 HydrophobicContact CZ-CG2 3.8Å; L832-I841 HydrophobicContact CB-CD1 3.97Å; L832-I841 HydrophobicContact CB-CG1 4.29Å; L832-I841 HydrophobicContact CD2-CD1 4.41Å; L832-I841 HydrophobicContact CD2-CG1 3.98Å; D837-I841 WeakPolarHBondContact O-CD1 3.35Å; D837-I841 VanDerWaalsContact O-CG1 3.26Å; D837-I841 WeakPolarHBondContact O-CG1 3.39Å; D837-I841 PolarHBondContact O-N 3.3Å; D837-I841 VanDerWaalsContact O-N 3.07Å; D838-I841 PolarHBondContact O-N 2.99Å; H839-I841 VanDerWaalsContact C-N 3.31Å; H839-I841 PolarHBondContact O-N 2.94Å; I841-F844 PolarHBondContact O-N 2.86Å; I841-L845 HydrophobicContact CG2-CD1 3.85Å; I841-L845 HydrophobicContact CG2-CG 4.4Å; I841-L845 WeakPolarHBondContact O-CG 3.38Å; I841-L845 PolarHBondContact O-N 2.91Å; I841-L845 VanDerWaalsContact O-N 3.07Å
842	W	95.6	Very high	94.6	Very high	15 Å²	15	18.9 Å²	18.9	6%	0.057	10%	0.102	C	C	.	.	H	α-helix	trans	-57.7	-49.2	171.2	169.3	59.5	0	0	0	111.9	M626 F808 F809 D838 H839 D840 F844 L845 S846	M626-W842 HydrophobicContact CE-CH2 4.43Å; M626-W842 HydrophobicContact CE-CZ2 4.48Å; F808-W842 HydrophobicContact CB-CB 4.03Å; F809-W842 HydrophobicContact CB-CD2 4.48Å; F809-W842 HydrophobicContact CB-CG 4.17Å; F809-W842 AromaticContact CD2-CD2 3.95Å; F809-W842 HydrophobicContact CD2-CD2 3.95Å; F809-W842 AromaticContact CD2-CE2 3.51Å; F809-W842 HydrophobicContact CD2-CE3 4.4Å; F809-W842 HydrophobicContact CD2-CH2 4.07Å; F809-W842 AromaticContact CD2-CZ2 3.58Å; F809-W842 HydrophobicContact CD2-CZ2 3.58Å; F809-W842 HydrophobicContact CD2-CZ3 4.45Å; F809-W842 AromaticContact CD2-NE1 3.86Å; F809-W842 HydrophobicContact CE2-CH2 4.09Å; F809-W842 AromaticContact CE2-CZ2 3.85Å; F809-W842 HydrophobicContact CE2-CZ2 3.85Å; D838-W842 PolarHBondContact O-N 2.84Å; H839-W842 AromaticContact CE1-CE3 3.38Å; H839-W842 AromaticContact CE1-CZ3 3.38Å; H839-W842 WeakPolarHBondContact CE1-CZ3 3.35Å; H839-W842 AromaticContact ND1-CE3 3.92Å; H839-W842 AromaticContact NE2-CE3 3.51Å; H839-W842 AromaticContact NE2-CZ3 3.48Å; H839-W842 WeakPolarHBondContact NE2-CZ3 3.19Å; H839-W842 WeakPolarHBondContact O-CB 3.41Å; H839-W842 PolarHBondContact O-N 2.9Å; D840-W842 VanDerWaalsContact C-N 3.34Å; W842-F844 VanDerWaalsContact C-N 3.34Å; W842-F844 PolarHBondContact O-N 3.11Å; W842-L845 PolarHBondContact O-N 2.98Å; W842-S846 VanDerWaalsContact O-CB 3.3Å; W842-S846 WeakPolarHBondContact O-CB 3.24Å; W842-S846 PolarHBondContact O-N 2.84Å; W842-S846 PolarHBondContact O-OG 3.27Å
843	H	95.3	Very high	94.9	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-59.9	-39.2	178	-73.5	-56.4	0	0	0	113.3	N549 Y552 S607 H611 D622 H839 D840 S846 S847	N549-H843 PolarHBondContact ND2-CD2 2.71Å; N549-H843 VanDerWaalsContact ND2-CD2 3.32Å; N549-H843 PolarHBondContact OD1-ND1 2.86Å; Y552-H843 HydrophobicContact CE2-CB 4.22Å; Y552-H843 AromaticContact CE2-CE1 2.86Å; Y552-H843 WeakPolarHBondContact CE2-CE1 3.46Å; Y552-H843 AromaticContact CE2-ND1 3.6Å; Y552-H843 AromaticContact CZ-CE1 2.94Å; Y552-H843 AromaticContact CZ-ND1 3.89Å; Y552-H843 PolarHBondContact OH-CE1 2.9Å; Y552-H843 PolarHBondContact OH-ND1 2.88Å; S607-H843 PolarHBondContact OG-NE2 2.81Å; H611-H843 AromaticContact CD2-NE2 3.68Å; H611-H843 AromaticContact NE2-NE2 3.4Å; H611-H843 PolarHBondContact NE2-NE2 3.26Å; D622-H843 IonicContact OD1-NE2 3.31Å; H839-H843 AromaticContact CD2-CD2 3.65Å; H839-H843 AromaticContact NE2-CD2 3.88Å; H839-H843 PolarHBondContact O-CD2 3.4Å; H839-H843 PolarHBondContact O-N 2.81Å; H839-H843 VanDerWaalsContact O-N 3.12Å; D840-H843 PolarHBondContact O-N 3.4Å; H843-S846 PolarHBondContact O-OG 3.05Å; H843-S847 VanDerWaalsContact O-CB 3.3Å; H843-S847 WeakPolarHBondContact O-CB 3.27Å; H843-S847 PolarHBondContact O-N 2.87Å; H843-S847 VanDerWaalsContact O-N 3.11Å; H843-S847 PolarHBondContact O-OG 2.93Å
844	F	96.1	Very high	95.2	Very high	10 Å²	10	15.5 Å²	15.5	4%	0.044	9%	0.087	C	C	.	.	H	α-helix	trans	-62.7	-43.9	174.1	-69.9	-37	0	0	0	112.6	F321 C322 F326 F836 D840 I841 W842 S847 I848	F321-F844 HydrophobicContact CE1-CE2 4.4Å; C322-F844 HydrophobicContact CB-CE1 4.16Å; C322-F844 HydrophobicContact CB-CZ 4.19Å; F326-F844 AromaticContact CE2-CD1 3.79Å; F326-F844 HydrophobicContact CE2-CD1 3.79Å; F326-F844 AromaticContact CE2-CE1 3.96Å; F326-F844 HydrophobicContact CE2-CE1 3.96Å; F326-F844 AromaticContact CZ-CD1 3.75Å; F326-F844 HydrophobicContact CZ-CD1 3.75Å; F326-F844 HydrophobicContact CZ-CE1 4.39Å; F836-F844 HydrophobicContact CD1-CE2 4.06Å; F836-F844 HydrophobicContact CD1-CZ 4.09Å; F836-F844 AromaticContact CD2-CE2 3.96Å; F836-F844 HydrophobicContact CD2-CE2 3.96Å; F836-F844 HydrophobicContact CD2-CZ 4.31Å; F836-F844 HydrophobicContact CE1-CE2 4.11Å; F836-F844 AromaticContact CE1-CZ 3.68Å; F836-F844 HydrophobicContact CE1-CZ 3.68Å; F836-F844 HydrophobicContact CE2-CE2 4.02Å; F836-F844 AromaticContact CE2-CZ 3.93Å; F836-F844 HydrophobicContact CE2-CZ 3.93Å; F836-F844 AromaticContact CG-CE2 3.98Å; F836-F844 HydrophobicContact CG-CE2 3.98Å; F836-F844 HydrophobicContact CG-CZ 4.38Å; F836-F844 HydrophobicContact CZ-CE2 4.1Å; F836-F844 AromaticContact CZ-CZ 3.59Å; F836-F844 HydrophobicContact CZ-CZ 3.59Å; D840-F844 WeakPolarHBondContact O-CD2 3.14Å; D840-F844 PolarHBondContact O-N 3Å; D840-F844 VanDerWaalsContact O-N 3.13Å; I841-F844 PolarHBondContact O-N 2.86Å; W842-F844 VanDerWaalsContact C-N 3.34Å; W842-F844 PolarHBondContact O-N 3.11Å; F844-S847 PolarHBondContact O-OG 3.04Å; F844-S847 VanDerWaalsContact O-OG 3.11Å; F844-I848 WeakPolarHBondContact O-CD1 3.28Å; F844-I848 VanDerWaalsContact O-CG1 3.31Å; F844-I848 WeakPolarHBondContact O-CG1 3.34Å; F844-I848 PolarHBondContact O-N 3.42Å
845	L	96.9	Very high	95.4	Very high	38 Å²	38	14.1 Å²	14.1	20%	0.199	8%	0.075	C	C	.	.	H	α-helix	trans	-76.5	-41.4	-177.3	-65.9	169.6	0	0	0	112.2	V801 F804 A805 F808 I841 W842 I848 A849	V801-L845 HydrophobicContact CG1-CB 4.19Å; V801-L845 HydrophobicContact CG1-CD2 4.14Å; V801-L845 VanDerWaalsContact CG1-O 3.23Å; V801-L845 WeakPolarHBondContact CG1-O 3.27Å; F804-L845 HydrophobicContact CB-CD1 3.9Å; A805-L845 HydrophobicContact CB-CB 3.75Å; F808-L845 HydrophobicContact CD2-CD1 3.67Å; F808-L845 HydrophobicContact CE2-CD1 4.01Å; I841-L845 HydrophobicContact CG2-CD1 3.85Å; I841-L845 HydrophobicContact CG2-CG 4.4Å; I841-L845 WeakPolarHBondContact O-CG 3.38Å; I841-L845 PolarHBondContact O-N 2.91Å; I841-L845 VanDerWaalsContact O-N 3.07Å; W842-L845 PolarHBondContact O-N 2.98Å; L845-I848 PolarHBondContact O-N 3.5Å; L845-A849 WeakPolarHBondContact O-CB 3.47Å; L845-A849 PolarHBondContact O-N 2.71Å
846	S	96.3	Very high	95.5	Very high	3 Å²	3	14.2 Å²	14.2	2%	0.021	8%	0.075	C	C	.	.	H	α-helix	trans	-68.6	-36.7	-179.6	65.1	0	0	0	0	112.3	Y552 W842 H843 A849 M850	Y552-S846 PolarHBondContact OH-OG 3.32Å; W842-S846 VanDerWaalsContact O-CB 3.3Å; W842-S846 WeakPolarHBondContact O-CB 3.24Å; W842-S846 PolarHBondContact O-N 2.84Å; W842-S846 PolarHBondContact O-OG 3.27Å; H843-S846 PolarHBondContact O-OG 3.05Å; S846-A849 PolarHBondContact O-N 3.42Å; S846-M850 WeakPolarHBondContact O-CB 3.21Å; S846-M850 VanDerWaalsContact O-CG 3.26Å; S846-M850 WeakPolarHBondContact O-CG 3.27Å; S846-M850 PolarHBondContact O-N 2.92Å
847	S	97.1	Very high	95.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-64.1	-41.4	173.6	58.2	0	0	0	0	112.4	Y552 L555 H843 F844 F851	Y552-S847 VanDerWaalsContact CD1-CB 3.47Å; L555-S847 WeakPolarHBondContact CD1-O 3.48Å; H843-S847 VanDerWaalsContact O-CB 3.3Å; H843-S847 WeakPolarHBondContact O-CB 3.27Å; H843-S847 PolarHBondContact O-N 2.87Å; H843-S847 VanDerWaalsContact O-N 3.11Å; H843-S847 PolarHBondContact O-OG 2.93Å; F844-S847 PolarHBondContact O-OG 3.04Å; F844-S847 VanDerWaalsContact O-OG 3.11Å; S847-F851 WeakPolarHBondContact O-CB 3.25Å; S847-F851 PolarHBondContact O-N 3.03Å; S847-F851 VanDerWaalsContact O-N 3.09Å
848	I	97.4	Very high	95.4	Very high	19 Å²	19	14.7 Å²	14.7	10%	0.097	8%	0.078	C	C	.	.	H	α-helix	trans	-63.5	-43.3	171.9	-66.7	169.5	0	0	0	111.1	I325 F326 F329 L555 F797 V801 F844 L845 F851 G852	I325-I848 HydrophobicContact CG2-CD1 4.22Å; F326-I848 HydrophobicContact CE1-CD1 4.44Å; F326-I848 HydrophobicContact CE1-CG1 4.07Å; F329-I848 HydrophobicContact CE1-CG2 4.33Å; F329-I848 HydrophobicContact CE2-CD1 4.04Å; F329-I848 HydrophobicContact CE2-CG1 4.05Å; F329-I848 HydrophobicContact CZ-CB 4.49Å; F329-I848 HydrophobicContact CZ-CD1 4.07Å; F329-I848 HydrophobicContact CZ-CG1 3.94Å; F329-I848 HydrophobicContact CZ-CG2 3.79Å; L555-I848 HydrophobicContact CD1-CB 4.44Å; L555-I848 HydrophobicContact CD1-CG1 3.91Å; F797-I848 HydrophobicContact CE1-CG2 3.97Å; F797-I848 HydrophobicContact CZ-CG2 4.07Å; V801-I848 HydrophobicContact CG1-CB 4.31Å; V801-I848 HydrophobicContact CG1-CG2 4.11Å; V801-I848 HydrophobicContact CG2-CG2 4.49Å; F844-I848 WeakPolarHBondContact O-CD1 3.28Å; F844-I848 VanDerWaalsContact O-CG1 3.31Å; F844-I848 WeakPolarHBondContact O-CG1 3.34Å; F844-I848 PolarHBondContact O-N 3.42Å; L845-I848 PolarHBondContact O-N 3.5Å; I848-F851 PolarHBondContact O-N 3.33Å; I848-G852 PolarHBondContact O-N 2.96Å
849	A	96.8	Very high	95.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-67.8	-40.5	-179.6	0	0	0	0	0	112.5	T798 V801 W802 L845 S846 G852 S853	T798-A849 WeakPolarHBondContact CG2-O 3.41Å; V801-A849 HydrophobicContact CB-CB 4.32Å; V801-A849 HydrophobicContact CG1-CB 3.98Å; W802-A849 HydrophobicContact CD2-CB 3.68Å; W802-A849 HydrophobicContact CE3-CB 4.36Å; W802-A849 HydrophobicContact CG-CB 3.78Å; W802-A849 HydrophobicContact CZ2-CB 4.14Å; L845-A849 WeakPolarHBondContact O-CB 3.47Å; L845-A849 PolarHBondContact O-N 2.71Å; S846-A849 PolarHBondContact O-N 3.42Å; A849-G852 CarbonylContact O-C 3.53Å; A849-G852 WeakPolarHBondContact O-CA 3.41Å; A849-G852 PolarHBondContact O-N 3.07Å; A849-S853 PolarHBondContact O-N 2.68Å; A849-S853 PolarHBondContact O-OG 3Å
850	M	96.1	Very high	95.2	Very high	38 Å²	38	12.6 Å²	12.6	19%	0.187	7%	0.069	C	C	.	.	H	α-helix	trans	-63.4	-43.5	174.8	-76	-64.4	-72.4	0	0	112	L600 I629 W802 S846 G852 S853 F854	L600-M850 HydrophobicContact CD1-CB 3.94Å; L600-M850 HydrophobicContact CD1-CE 4.34Å; L600-M850 HydrophobicContact CD1-CG 4.45Å; I629-M850 HydrophobicContact CB-CE 4.41Å; I629-M850 HydrophobicContact CD1-CE 4.47Å; I629-M850 HydrophobicContact CG2-CE 3.37Å; W802-M850 HydrophobicContact CH2-CG 4.22Å; W802-M850 HydrophobicContact CH2-SD 4.14Å; W802-M850 HydrophobicContact CZ2-CG 3.89Å; W802-M850 HydrophobicContact CZ2-SD 3.6Å; S846-M850 WeakPolarHBondContact O-CB 3.21Å; S846-M850 VanDerWaalsContact O-CG 3.26Å; S846-M850 WeakPolarHBondContact O-CG 3.27Å; S846-M850 PolarHBondContact O-N 2.92Å; M850-G852 VanDerWaalsContact C-N 3.32Å; M850-G852 PolarHBondContact O-N 2.84Å; M850-S853 PolarHBondContact O-N 2.64Å; M850-F854 HydrophobicContact CE-CE1 3.93Å; M850-F854 HydrophobicContact CE-CZ 4.3Å; M850-F854 WeakPolarHBondContact O-CD1 3.33Å; M850-F854 WeakPolarHBondContact O-CG 3.18Å; M850-F854 PolarHBondContact O-N 3Å
851	F	97	Very high	95	Very high	8 Å²	8	13.3 Å²	13.3	4%	0.035	7%	0.072	C	C	.	.	H	α-helix	trans	-59.9	-42.4	171.5	176.7	-106.3	0	0	0	111.8	F329 L555 L558 F559 I562 S847 I848 F854 L855	F329-F851 HydrophobicContact CD1-CD1 4.39Å; F329-F851 HydrophobicContact CD1-CE1 4.01Å; L555-F851 HydrophobicContact CB-CB 3.93Å; L555-F851 HydrophobicContact CB-CD2 3.95Å; L555-F851 HydrophobicContact CB-CG 4Å; L555-F851 HydrophobicContact CD1-CB 4.02Å; L555-F851 HydrophobicContact CD1-CG 4.41Å; L555-F851 HydrophobicContact CD2-CD1 4.18Å; L555-F851 HydrophobicContact CD2-CD2 4.44Å; L555-F851 HydrophobicContact CD2-CE1 4.41Å; L555-F851 HydrophobicContact CD2-CG 4.19Å; L555-F851 HydrophobicContact CG-CB 4.44Å; L555-F851 HydrophobicContact CG-CG 4.44Å; L555-F851 WeakPolarHBondContact O-CD2 3.42Å; L558-F851 HydrophobicContact CB-CE2 4.21Å; L558-F851 HydrophobicContact CD2-CE1 4.34Å; L558-F851 HydrophobicContact CD2-CE2 4.07Å; L558-F851 HydrophobicContact CD2-CZ 3.63Å; L558-F851 HydrophobicContact CG-CE2 3.99Å; L558-F851 HydrophobicContact CG-CZ 3.92Å; F559-F851 HydrophobicContact CB-CD2 4.11Å; F559-F851 HydrophobicContact CB-CE2 4.05Å; I562-F851 HydrophobicContact CD1-CE2 4.24Å; I562-F851 HydrophobicContact CD1-CZ 3.95Å; S847-F851 WeakPolarHBondContact O-CB 3.25Å; S847-F851 PolarHBondContact O-N 3.03Å; S847-F851 VanDerWaalsContact O-N 3.09Å; I848-F851 PolarHBondContact O-N 3.33Å; F851-F854 PolarHBondContact O-N 2.96Å; F851-L855 HydrophobicContact CD1-CD1 4.04Å; F851-L855 HydrophobicContact CE1-CD1 3.48Å; F851-L855 VanDerWaalsContact CE1-CD1 3.48Å; F851-L855 HydrophobicContact CE1-CG 4.23Å; F851-L855 HydrophobicContact CE2-CD1 4.42Å; F851-L855 HydrophobicContact CE2-CG 4.4Å; F851-L855 HydrophobicContact CZ-CD1 3.7Å; F851-L855 HydrophobicContact CZ-CD2 4.43Å; F851-L855 HydrophobicContact CZ-CG 4.15Å; F851-L855 WeakPolarHBondContact O-CG 3.24Å; F851-L855 PolarHBondContact O-N 2.72Å
852	G	95.8	Very high	94.7	Very high	6 Å²	6	13.5 Å²	13.5	6%	0.062	7%	0.074	C	C	.	.	H	α-helix	trans	-57.3	-49.9	171.6	0	0	0	0	0	112.8	T798 I848 A849 M850 F854 L855 V856	T798-G852 WeakPolarHBondContact OG1-CA 3.29Å; I848-G852 PolarHBondContact O-N 2.96Å; A849-G852 CarbonylContact O-C 3.53Å; A849-G852 WeakPolarHBondContact O-CA 3.41Å; A849-G852 PolarHBondContact O-N 3.07Å; M850-G852 VanDerWaalsContact C-N 3.32Å; M850-G852 PolarHBondContact O-N 2.84Å; G852-F854 VanDerWaalsContact C-N 3.32Å; G852-F854 PolarHBondContact O-N 2.84Å; G852-L855 PolarHBondContact O-N 3.48Å; G852-V856 WeakPolarHBondContact O-CG2 3.44Å; G852-V856 PolarHBondContact O-N 3.18Å
853	S	95.6	Very high	94.4	Very high	36 Å²	36	13.8 Å²	13.8	25%	0.252	8%	0.076	S	C	.	.	H	α-helix	trans	-58.7	-41.5	176.5	-67.7	0	0	0	0	112.1	T798 W802 A849 M850 V856 L857	T798-S853 WeakPolarHBondContact CG2-OG 3.5Å; W802-S853 PolarHBondContact NE1-OG 2.89Å; A849-S853 PolarHBondContact O-N 2.68Å; A849-S853 PolarHBondContact O-OG 3Å; M850-S853 PolarHBondContact O-N 2.64Å; S853-V856 PolarHBondContact O-N 2.92Å; S853-L857 WeakPolarHBondContact O-CG 3.4Å; S853-L857 PolarHBondContact O-N 2.95Å
854	F	96.1	Very high	94	Very high	1 Å²	1	14.1 Å²	14.1	0%	0.004	8%	0.078	C	C	.	.	H	α-helix	trans	-66.8	-41.4	176.3	-76.5	16.6	0	0	0	112.3	F559 M596 L600 I629 M850 F851 G852 L857 L858	F559-F854 AromaticContact CD1-CD2 3.81Å; F559-F854 HydrophobicContact CD1-CD2 3.81Å; F559-F854 HydrophobicContact CD2-CB 3.92Å; F559-F854 HydrophobicContact CD2-CD2 4.49Å; F559-F854 HydrophobicContact CE1-CB 4.3Å; F559-F854 AromaticContact CE1-CD2 3.87Å; F559-F854 HydrophobicContact CE1-CD2 3.87Å; F559-F854 HydrophobicContact CE1-CG 4.45Å; F559-F854 HydrophobicContact CE2-CB 3.63Å; F559-F854 HydrophobicContact CG-CB 4.39Å; F559-F854 HydrophobicContact CG-CD2 4.13Å; F559-F854 HydrophobicContact CZ-CB 3.84Å; F559-F854 HydrophobicContact CZ-CD2 4.26Å; F559-F854 HydrophobicContact CZ-CG 4.41Å; M596-F854 HydrophobicContact CB-CD2 4.38Å; M596-F854 HydrophobicContact CB-CE2 3.86Å; M596-F854 HydrophobicContact CB-CZ 4.05Å; M596-F854 HydrophobicContact CE-CD1 3.66Å; M596-F854 HydrophobicContact CE-CD2 4.29Å; M596-F854 HydrophobicContact CE-CE1 3.82Å; M596-F854 HydrophobicContact CE-CE2 4.43Å; M596-F854 HydrophobicContact CE-CG 3.91Å; M596-F854 HydrophobicContact CE-CZ 4.21Å; M596-F854 WeakPolarHBondContact O-CE2 3.42Å; L600-F854 HydrophobicContact CB-CE2 3.81Å; L600-F854 HydrophobicContact CB-CZ 4.24Å; L600-F854 HydrophobicContact CD2-CD2 4.12Å; L600-F854 HydrophobicContact CD2-CE2 3.81Å; L600-F854 HydrophobicContact CD2-CZ 4.43Å; L600-F854 HydrophobicContact CG-CE2 4.3Å; I629-F854 HydrophobicContact CG2-CE1 3.69Å; I629-F854 HydrophobicContact CG2-CZ 3.59Å; M850-F854 HydrophobicContact CE-CE1 3.93Å; M850-F854 HydrophobicContact CE-CZ 4.3Å; M850-F854 WeakPolarHBondContact O-CD1 3.33Å; M850-F854 WeakPolarHBondContact O-CG 3.18Å; M850-F854 PolarHBondContact O-N 3Å; F851-F854 PolarHBondContact O-N 2.96Å; G852-F854 VanDerWaalsContact C-N 3.32Å; G852-F854 PolarHBondContact O-N 2.84Å; F854-L857 PolarHBondContact O-N 3.47Å; F854-L858 VanDerWaalsContact O-CB 3.29Å; F854-L858 WeakPolarHBondContact O-CB 3.26Å; F854-L858 PolarHBondContact O-N 2.8Å
855	L	94.5	Very high	93.4	Very high	35 Å²	35	16.3 Å²	16.3	18%	0.183	9%	0.09	C	C	.	.	H	α-helix	trans	-64.1	-39.2	173.6	-74.1	-177.1	0	0	0	112.2	F559 I562 F851 G852 L858 T859	F559-L855 HydrophobicContact CD2-CD2 4.21Å; F559-L855 HydrophobicContact CE2-CD2 4.4Å; I562-L855 HydrophobicContact CD1-CD2 4.04Å; I562-L855 HydrophobicContact CG2-CD2 4.28Å; F851-L855 HydrophobicContact CD1-CD1 4.04Å; F851-L855 HydrophobicContact CE1-CD1 3.48Å; F851-L855 VanDerWaalsContact CE1-CD1 3.48Å; F851-L855 HydrophobicContact CE1-CG 4.23Å; F851-L855 HydrophobicContact CE2-CD1 4.42Å; F851-L855 HydrophobicContact CE2-CG 4.4Å; F851-L855 HydrophobicContact CZ-CD1 3.7Å; F851-L855 HydrophobicContact CZ-CD2 4.43Å; F851-L855 HydrophobicContact CZ-CG 4.15Å; F851-L855 WeakPolarHBondContact O-CG 3.24Å; F851-L855 PolarHBondContact O-N 2.72Å; G852-L855 PolarHBondContact O-N 3.48Å; L855-L858 PolarHBondContact O-N 3.09Å; L855-T859 WeakPolarHBondContact O-CB 3.4Å; L855-T859 WeakPolarHBondContact O-CG2 3.28Å; L855-T859 PolarHBondContact O-N 2.82Å; L855-T859 PolarHBondContact O-OG1 2.99Å
856	V	94.6	Very high	92.8	Very high	3 Å²	3	19.5 Å²	19.5	2%	0.018	11%	0.112	C	C	.	.	H	α-helix	trans	-61.6	-48.8	173.8	168.5	0	0	0	0	110.3	F773 C794 I795 G852 S853 L858 T859 M860	F773-V856 HydrophobicContact CE2-CG1 3.97Å; F773-V856 HydrophobicContact CZ-CG1 3.74Å; C794-V856 HydrophobicContact CB-CG2 3.62Å; I795-V856 HydrophobicContact CD1-CG1 4.12Å; I795-V856 HydrophobicContact CG1-CB 4.39Å; I795-V856 HydrophobicContact CG1-CG1 3.56Å; I795-V856 HydrophobicContact CG1-CG2 3.82Å; G852-V856 WeakPolarHBondContact O-CG2 3.44Å; G852-V856 PolarHBondContact O-N 3.18Å; S853-V856 PolarHBondContact O-N 2.92Å; V856-L858 VanDerWaalsContact C-N 3.29Å; V856-L858 PolarHBondContact O-N 2.8Å; V856-T859 PolarHBondContact O-N 2.79Å; V856-M860 HydrophobicContact CG1-CE 4.02Å; V856-M860 WeakPolarHBondContact O-CB 3.38Å; V856-M860 PolarHBondContact O-N 2.99Å
857	L	93.4	Very high	92.3	Very high	9 Å²	9	21.6 Å²	21.6	5%	0.047	12%	0.124	C	C	.	.	H	α-helix	trans	-57.3	-42.5	174.8	-71.6	175.2	0	0	0	111.9	Y593 M596 C633 L637 K640 F773 S853 F854	Y593-L857 PolarHBondContact OH-O 3.09Å; M596-L857 HydrophobicContact CE-CD1 3.88Å; C633-L857 HydrophobicContact CB-CD1 4.17Å; L637-L857 HydrophobicContact CD1-CD2 4.29Å; L637-L857 HydrophobicContact CD2-CD2 3.52Å; L637-L857 HydrophobicContact CG-CD2 3.7Å; K640-L857 WeakPolarHBondContact CE-O 3.34Å; K640-L857 PolarHBondContact NZ-O 3.39Å; F773-L857 HydrophobicContact CD2-CD2 4.2Å; F773-L857 HydrophobicContact CE2-CD2 4.21Å; S853-L857 WeakPolarHBondContact O-CG 3.4Å; S853-L857 PolarHBondContact O-N 2.95Å; F854-L857 PolarHBondContact O-N 3.47Å
858	L	92.8	Very high	91.8	Very high	9 Å²	9	25.9 Å²	25.9	5%	0.047	14%	0.144	C	C	.	.	H	α-helix	trans	-70.2	-26.3	-178.7	-177.5	60.6	0	0	0	114.6	F559 I562 V563 R566 Y593 F854 L855 V856	F559-L858 HydrophobicContact CD2-CD2 4.45Å; F559-L858 HydrophobicContact CE2-CB 4.16Å; F559-L858 HydrophobicContact CE2-CD2 3.63Å; F559-L858 HydrophobicContact CE2-CG 4.5Å; F559-L858 HydrophobicContact CZ-CB 4.42Å; F559-L858 HydrophobicContact CZ-CD2 4.13Å; I562-L858 HydrophobicContact CG2-CD2 3.93Å; V563-L858 HydrophobicContact CG2-CD2 4.07Å; R566-L858 PolarHBondContact NH1-O 2.77Å; Y593-L858 HydrophobicContact CD1-CD1 4.47Å; Y593-L858 HydrophobicContact CD2-CD1 3.74Å; Y593-L858 HydrophobicContact CE1-CB 4.4Å; Y593-L858 HydrophobicContact CE1-CD1 4.31Å; Y593-L858 HydrophobicContact CE2-CD1 3.54Å; Y593-L858 HydrophobicContact CG-CD1 4.21Å; F854-L858 VanDerWaalsContact O-CB 3.29Å; F854-L858 WeakPolarHBondContact O-CB 3.26Å; F854-L858 PolarHBondContact O-N 2.8Å; L855-L858 PolarHBondContact O-N 3.09Å; V856-L858 VanDerWaalsContact C-N 3.29Å; V856-L858 PolarHBondContact O-N 2.8Å
859	T	91.7	Very high	91.2	Very high	11 Å²	11	26.5 Å²	26.5	7%	0.067	15%	0.145	C	C	.	.	H	α-helix	trans	-114.9	-15.6	-172.1	60.1	0	0	0	0	115.2	P791 L855 V856 D861 D862	P791-T859 VanDerWaalsContact CG-O 3.3Å; P791-T859 WeakPolarHBondContact CG-O 3.42Å; L855-T859 WeakPolarHBondContact O-CB 3.4Å; L855-T859 WeakPolarHBondContact O-CG2 3.28Å; L855-T859 PolarHBondContact O-N 2.82Å; L855-T859 PolarHBondContact O-OG1 2.99Å; V856-T859 PolarHBondContact O-N 2.79Å; T859-D861 PolarHBondContact O-N 2.78Å; T859-D862 VanDerWaalsContact O-CB 3.29Å; T859-D862 WeakPolarHBondContact O-CB 3.33Å; T859-D862 VanDerWaalsContact O-CG 3.25Å; T859-D862 PolarHBondContact O-N 2.92Å
860	M	91	Very high	90.6	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-26.8	-174.3	161.5	178.6	-78.5	0	0	115.3	F773 Y776 I777 K780 I795 V856	F773-M860 HydrophobicContact CD2-CE 4.41Å; F773-M860 HydrophobicContact CE2-CE 3.49Å; F773-M860 VanDerWaalsContact CE2-CE 3.49Å; F773-M860 HydrophobicContact CE2-SD 4.42Å; F773-M860 HydrophobicContact CZ-CE 3.66Å; Y776-M860 HydrophobicContact CD1-CG 4.48Å; Y776-M860 HydrophobicContact CD1-SD 3.43Å; Y776-M860 WeakPolarHBondContact CD1-SD 3.49Å; Y776-M860 HydrophobicContact CE1-CG 4.13Å; Y776-M860 HydrophobicContact CE1-SD 3.57Å; Y776-M860 VanDerWaalsContact CE1-SD 3.57Å; Y776-M860 HydrophobicContact CG-SD 4.47Å; I777-M860 HydrophobicContact CD1-CE 3.85Å; I777-M860 HydrophobicContact CG1-CE 3.59Å; K780-M860 HydrophobicContact CD-CG 4.4Å; K780-M860 VanDerWaalsContact CE-O 3.26Å; K780-M860 WeakPolarHBondContact CE-O 3.41Å; I795-M860 HydrophobicContact CD1-CE 4.35Å; V856-M860 HydrophobicContact CG1-CE 4.02Å; V856-M860 WeakPolarHBondContact O-CB 3.38Å; V856-M860 PolarHBondContact O-N 2.99Å
861	D	90.6	Very high	89.9	Confident	15 Å²	15	33.6 Å²	33.6	8%	0.08	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	15	-179.7	-57	-85.6	0	0	0	113.2	I586 K640 R641 Y776 K780 T859 D863 L864	I586-D861 HydrophobicContact CD1-CB 3.68Å; K640-D861 WeakPolarHBondContact CD-OD2 3.35Å; K640-D861 WeakPolarHBondContact CE-OD2 3.31Å; K640-D861 IonicContact NZ-OD2 3.58Å; K640-D861 PolarHBondContact NZ-OD2 3.22Å; R641-D861 IonicContact NH2-OD1 3.23Å; R641-D861 PolarHBondContact NH2-OD1 3.12Å; R641-D861 VanDerWaalsContact NH2-OD1 3.15Å; Y776-D861 PolarHBondContact OH-OD1 3.35Å; Y776-D861 PolarHBondContact OH-OD2 2.85Å; Y776-D861 VanDerWaalsContact OH-OD2 3.09Å; K780-D861 IonicContact NZ-OD1 3.35Å; K780-D861 PolarHBondContact NZ-OD1 2.87Å; T859-D861 PolarHBondContact O-N 2.78Å; D861-D863 WeakPolarHBondContact CA-OD1 3.19Å; D861-D863 PolarHBondContact O-N 3.17Å; D861-L864 HydrophobicContact CB-CD1 4.4Å; D861-L864 PolarHBondContact O-N 3.06Å
862	D	88.9	Confident	89.4	Confident	25 Å²	25	33.3 Å²	33.3	13%	0.134	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-13	172.3	-72.7	-8.5	0	0	0	111.9	R566 K788 T859	R566-D862 IonicContact CZ-OD1 3.26Å; R566-D862 IonicContact CZ-OD2 2.62Å; R566-D862 IonicContact NH1-OD1 3.76Å; R566-D862 PolarHBondContact NH1-OD1 2.56Å; R566-D862 IonicContact NH1-OD2 2.64Å; R566-D862 PolarHBondContact NH1-OD2 2.7Å; R566-D862 IonicContact NH2-OD1 3.41Å; R566-D862 IonicContact NH2-OD2 2.81Å; R566-D862 PolarHBondContact NH2-OD2 3.4Å; K788-D862 HydrophobicContact CD-CB 4.41Å; K788-D862 PolarHBondContact NZ-O 3.49Å; T859-D862 VanDerWaalsContact O-CB 3.29Å; T859-D862 WeakPolarHBondContact O-CB 3.33Å; T859-D862 VanDerWaalsContact O-CG 3.25Å; T859-D862 PolarHBondContact O-N 2.92Å
863	D	88.2	Confident	88.8	Confident	22 Å²	22	38 Å²	38	12%	0.118	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-28.5	172.5	67.9	-45.7	0	0	0	113.7	K780 R786 K788 D861	K780-D863 VanDerWaalsContact CE-OD1 3.31Å; K780-D863 WeakPolarHBondContact CE-OD1 3.42Å; K780-D863 IonicContact NZ-OD1 2.67Å; K780-D863 PolarHBondContact NZ-OD1 2.91Å; K780-D863 IonicContact NZ-OD2 2.9Å; K780-D863 PolarHBondContact NZ-OD2 2.82Å; R786-D863 PolarHBondContact N-OD2 2.81Å; R786-D863 VanDerWaalsContact N-OD2 3.11Å; R786-D863 WeakPolarHBondContact O-CB 3.49Å; K788-D863 HydrophobicContact CD-CB 4.19Å; K788-D863 HydrophobicContact CG-CB 4.12Å; D861-D863 WeakPolarHBondContact CA-OD1 3.19Å; D861-D863 PolarHBondContact O-N 3.17Å
864	L	87.3	Confident	88.2	Confident	7 Å²	7	36.9 Å²	36.9	4%	0.037	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-85.8	-6.7	-177.1	-61.8	179.3	0	0	0	114.4	G585 I586 E785 D861 T866 V867 I872	G585-L864 WeakPolarHBondContact CA-O 3.34Å; G585-L864 PolarHBondContact N-O 3.07Å; I586-L864 HydrophobicContact CD1-CD1 3.86Å; I586-L864 HydrophobicContact CG1-CD1 4Å; E785-L864 HydrophobicContact CG-CD2 4.11Å; E785-L864 WeakPolarHBondContact OE2-CD1 3.09Å; D861-L864 HydrophobicContact CB-CD1 4.4Å; D861-L864 PolarHBondContact O-N 3.06Å; L864-T866 PolarHBondContact O-N 3.11Å; L864-V867 HydrophobicContact CD2-CB 4.45Å; L864-V867 HydrophobicContact CD2-CG2 4.27Å; L864-V867 WeakPolarHBondContact O-CB 3.49Å; L864-V867 PolarHBondContact O-N 3.32Å; L864-I872 HydrophobicContact CB-CD1 4.12Å; L864-I872 HydrophobicContact CD1-CD1 4.23Å; L864-I872 HydrophobicContact CD1-CG1 4.44Å; L864-I872 HydrophobicContact CD1-CG2 3.78Å; L864-I872 HydrophobicContact CD2-CG1 4.35Å
865	D	84.6	Confident	87.3	Confident	56 Å²	56	37.6 Å²	37.6	30%	0.299	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-54.9	-23.2	-173.7	-90.8	7.5	0	0	0	115.2	C584 K588	C584-D865 WeakPolarHBondContact CB-O 3.12Å; K588-D865 WeakPolarHBondContact CE-OD1 3.21Å; K588-D865 IonicContact NZ-OD1 2.72Å; K588-D865 PolarHBondContact NZ-OD1 3.34Å; K588-D865 IonicContact NZ-OD2 3.53Å; K588-D865 PolarHBondContact NZ-OD2 3.37Å
866	T	83.4	Confident	87	Confident	106 Å²	106	37.7 Å²	37.7	65%	0.65	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-113.4	14.8	177.8	60.6	0	0	0	0	113.1	L864	L864-T866 PolarHBondContact O-N 3.11Å
867	V	85.4	Confident	86.6	Confident	46 Å²	46	39.5 Å²	39.5	28%	0.279	20%	0.198	S	C	.	.	S	Bend	trans	-105.4	127.4	179.3	-176.4	0	0	0	0	108.8	C584 G585 L864 K871 I872	C584-V867 CarbonylContact C-O 3.55Å; C584-V867 VanDerWaalsContact CA-O 3.24Å; C584-V867 WeakPolarHBondContact CA-O 3.5Å; C584-V867 WeakPolarHBondContact CB-O 3.38Å; G585-V867 PolarHBondContact N-O 2.84Å; L864-V867 HydrophobicContact CD2-CB 4.45Å; L864-V867 HydrophobicContact CD2-CG2 4.27Å; L864-V867 WeakPolarHBondContact O-CB 3.49Å; L864-V867 PolarHBondContact O-N 3.32Å; V867-K871 HydrophobicContact CG1-CB 4.06Å; V867-I872 HydrophobicContact CB-CD1 4.44Å; V867-I872 HydrophobicContact CB-CG1 4.35Å; V867-I872 HydrophobicContact CG1-CD1 4.49Å; V867-I872 HydrophobicContact CG1-CG1 3.91Å
868	Q	85.9	Confident	86.2	Confident	91 Å²	91	41.2 Å²	41.2	43%	0.425	21%	0.206	S	C	.	.	B	Isolated β-bridge	trans	-63.6	143.1	176.8	-67.3	173.8	-58.7	0	0	111.2	D870 K871	Q868-D870 WeakPolarHBondContact CB-OD1 3.45Å; Q868-D870 PolarHBondContact O-N 3.04Å; Q868-D870 VanDerWaalsContact O-N 3.13Å; Q868-K871 HydrophobicContact CB-CD 4.47Å; Q868-K871 PolarHBondContact O-N 3.44Å
869	R	85.7	Confident	85.8	Confident	31 Å²	31	43.1 Å²	43.1	12%	0.117	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-15.2	-172.5	-72	176	-158.7	122	23.7	115.3	V474 S475 L582 E583 C584 G585 K871 I872	V474-R869 HydrophobicContact CB-CB 4.38Å; V474-R869 HydrophobicContact CG1-CB 4.42Å; V474-R869 HydrophobicContact CG1-CG 4.15Å; V474-R869 PolarHBondContact N-O 3.19Å; S475-R869 PolarHBondContact N-O 3.43Å; L582-R869 VanDerWaalsContact O-CZ 3.29Å; L582-R869 PolarHBondContact O-NH1 2.9Å; L582-R869 PolarHBondContact O-NH2 2.99Å; E583-R869 WeakPolarHBondContact O-CG 2.96Å; E583-R869 PolarHBondContact O-N 2.98Å; C584-R869 PolarHBondContact O-NH2 3Å; G585-R869 WeakPolarHBondContact O-CD 3.45Å; G585-R869 WeakPolarHBondContact O-CG 3.45Å; G585-R869 PolarHBondContact O-NE 3.37Å; R869-K871 VanDerWaalsContact C-N 3.26Å; R869-I872 HydrophobicContact CG-CD1 4.48Å
870	D	83.3	Confident	85.4	Confident	77 Å²	77	45.1 Å²	45.1	41%	0.412	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-24.2	172.7	68.5	-40.1	0	0	0	112.8	C473 S475 Q868	C473-D870 WeakPolarHBondContact CB-O 3.34Å; C473-D870 PolarHBondContact SG-O 2.99Å; S475-D870 WeakPolarHBondContact OG-CA 3.48Å; Q868-D870 WeakPolarHBondContact CB-OD1 3.45Å; Q868-D870 PolarHBondContact O-N 3.04Å; Q868-D870 VanDerWaalsContact O-N 3.13Å
871	K	83.3	Confident	85.1	Confident	111 Å²	111	48.1 Å²	48.1	48%	0.483	24%	0.24	S	C	.	.	S	Bend	trans	-101.2	-2.6	-177.9	-67.8	147	-175.3	107.2	0	113.6	V867 Q868 R869	V867-K871 HydrophobicContact CG1-CB 4.06Å; Q868-K871 HydrophobicContact CB-CD 4.47Å; Q868-K871 PolarHBondContact O-N 3.44Å; R869-K871 VanDerWaalsContact C-N 3.26Å
872	I	84.9	Confident	84.7	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	25%	0.251	C	S	.	.	S	Bend	trans	-96.6	112.6	179.3	-55.1	173.3	0	0	0	108.9	C473 V474 L864 V867 R869	C473-I872 CarbonylContact C-O 3.6Å; C473-I872 VanDerWaalsContact CA-O 3.22Å; C473-I872 WeakPolarHBondContact CA-O 3.17Å; V474-I872 HydrophobicContact CB-CB 4.22Å; V474-I872 HydrophobicContact CB-CG2 4.35Å; V474-I872 HydrophobicContact CG2-CB 3.95Å; V474-I872 HydrophobicContact CG2-CG2 3.57Å; V474-I872 PolarHBondContact N-O 2.99Å; L864-I872 HydrophobicContact CB-CD1 4.12Å; L864-I872 HydrophobicContact CD1-CD1 4.23Å; L864-I872 HydrophobicContact CD1-CG1 4.44Å; L864-I872 HydrophobicContact CD1-CG2 3.78Å; L864-I872 HydrophobicContact CD2-CG1 4.35Å; V867-I872 HydrophobicContact CB-CD1 4.44Å; V867-I872 HydrophobicContact CB-CG1 4.35Å; V867-I872 HydrophobicContact CG1-CD1 4.49Å; V867-I872 HydrophobicContact CG1-CG1 3.91Å; R869-I872 HydrophobicContact CG-CD1 4.48Å
873	Y	84.7	Confident	84.4	Confident	105 Å²	105	52.4 Å²	52.4	41%	0.412	26%	0.26	S	S	.	.	B	Isolated β-bridge	trans	-75	148.8	-179.3	-68.1	-65.1	0	0	0	113.5	R641	R641-Y873 PolarHBondContact NH1-O 3.09Å
874	V	81.2	Confident	84	Confident	12 Å²	12	54.9 Å²	54.9	7%	0.073	27%	0.272	C	S	.	.			trans	-102.8	116.2	174.5	177.6	0	0	0	0	109.7	L472 V474 L477 R641 H642 R731	L472-V874 HydrophobicContact CB-CB 4.3Å; L472-V874 HydrophobicContact CD2-CG1 4.39Å; L472-V874 WeakPolarHBondContact O-CB 3.06Å; L472-V874 PolarHBondContact O-N 3.47Å; V474-V874 HydrophobicContact CG2-CG2 3.93Å; L477-V874 HydrophobicContact CD1-CG1 3.94Å; L477-V874 HydrophobicContact CD1-CG2 4.21Å; R641-V874 HydrophobicContact CB-CG1 4.33Å; R641-V874 WeakPolarHBondContact O-CG1 3.48Å; R641-V874 WeakPolarHBondContact O-CG2 3.34Å; H642-V874 WeakPolarHBondContact NE2-CG1 3.36Å; R731-V874 PolarHBondContact NH2-O 3.43Å
875	F	78.9	Confident	83.7	Confident	16 Å²	16	59.3 Å²	59.3	7%	0.07	29%	0.293	C	S	.	.			trans	-120.5	0	179.9	50	-108.7	0	0	0	111.8	R641 R731 F775 Y776 M779 K780	R641-F875 HydrophobicContact CG-CD2 4.33Å; R641-F875 HydrophobicContact CG-CE2 4.05Å; R641-F875 HydrophobicContact CG-CZ 4.2Å; R641-F875 VanDerWaalsContact CZ-CE1 3.5Å; R731-F875 VanDerWaalsContact CZ-OXT 3.24Å; R731-F875 PolarHBondContact NE-OXT 3.34Å; R731-F875 VanDerWaalsContact NH2-C 3.28Å; R731-F875 PolarHBondContact NH2-OXT 3.49Å; F775-F875 HydrophobicContact CE1-CD2 4.26Å; Y776-F875 AromaticContact CD2-CE2 3.78Å; Y776-F875 HydrophobicContact CD2-CE2 3.78Å; Y776-F875 HydrophobicContact CD2-CZ 4.39Å; Y776-F875 HydrophobicContact CE1-CZ 4.41Å; Y776-F875 AromaticContact CE2-CE2 3.9Å; Y776-F875 HydrophobicContact CE2-CE2 3.9Å; Y776-F875 HydrophobicContact CE2-CZ 4.19Å; Y776-F875 HydrophobicContact CG-CE2 4.12Å; M779-F875 HydrophobicContact CB-CB 4.06Å; M779-F875 HydrophobicContact CB-CD1 3.79Å; M779-F875 HydrophobicContact CB-CD2 3.48Å; M779-F875 VanDerWaalsContact CB-CD2 3.48Å; M779-F875 HydrophobicContact CB-CE1 4.01Å; M779-F875 HydrophobicContact CB-CE2 3.73Å; M779-F875 HydrophobicContact CB-CG 3.52Å; M779-F875 HydrophobicContact CB-CZ 3.98Å; M779-F875 HydrophobicContact CE-CB 3.81Å; M779-F875 HydrophobicContact CE-CG 4.47Å; M779-F875 HydrophobicContact CG-CB 4.2Å; M779-F875 HydrophobicContact CG-CD2 4.08Å; M779-F875 HydrophobicContact CG-CG 4.14Å; K780-F875 HydrophobicContact CB-CZ 4.31Å

Retrieved 875 of 875 residues in 427.7 ms (Link to these results)

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