X5DNR8_HUMAN Loading...

Serine/threonine-protein

Serine/threonine-protein kinase. Involved in cell polarity and microtubule dynamics regulation. Phosphorylates DCX, MAP2 and MAP4. Phosphorylates the microtubule-associated protein MAPT/TAU. Involved in cell polarity by phosphorylating the microtubule-associated proteins MAP2, MAP4 and MAPT/TAU at KXGS motifs, causing detachment from microtubules, and their disassembly. Involved in the regulation of neuronal migration through its dual activities in regulating cellular polarity and microtubule dynamics, possibly by phosphorylating and regulating DCX. Also acts as a positive regulator of the Wnt signaling pathway, probably by mediating phosphorylation of dishevelled proteins (DVL1, DVL2 and/or DVL3).

AlphaFold DB , UniProt , Accession X5DNR8, Species HUMAN (Homo sapiens, Human), Gene MARK1, Length 780 aa.

Structure Viewer

Loading PAE data...

(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	31.9	Very low	35.1	Very low	239 Å²	239	144.4 Å²	144.4	100%	1.177	82%	0.818	S	S	*	*				0	124.2	0	-67.5	172.4	-178.7	0	0	106.8
2	S	34.2	Very low	34.7	Very low	111 Å²	111	144.6 Å²	144.6	78%	0.776	81%	0.808	S	S	*	*			cis	-154.3	167.8	-1.3	-74.4	0	0	0	0	111.3
3	A	34.3	Very low	34.7	Very low	90 Å²	90	148.9 Å²	148.9	74%	0.744	80%	0.804	S	S	*	*			trans	6.6	149.3	149.3	0	0	0	0	0	120.3
4	R	35	Very low	34.3	Very low	240 Å²	240	150.2 Å²	150.2	91%	0.906	81%	0.81	S	S	*	*			cis	-168.4	156.6	10.3	-126.5	171.5	-172.4	166.1	-0.8	111
5	T	33.3	Very low	34.2	Very low	127 Å²	127	147.9 Å²	147.9	78%	0.779	80%	0.803	S	S	*	*			trans	-81.6	170	151.3	27.2	0	0	0	0	110.2
6	P	46.9	Very low	34	Very low	120 Å²	120	148.5 Å²	148.5	78%	0.779	80%	0.799	S	S	*	*			cis	-146.7	-168.3	30.8	43.6	-21.3	0	0	0	118.5
7	L	31.9	Very low	33.9	Very low	151 Å²	151	149.4 Å²	149.4	79%	0.791	80%	0.803	S	S	*	*			trans	-51.6	173.2	160.8	-77.5	165.6	0	0	0	114.2
8	P	43.4	Very low	33.9	Very low	117 Å²	117	149.7 Å²	149.7	76%	0.76	80%	0.799	S	S	*	*			cis	-150.2	-173.2	35.7	45	-23.2	0	0	0	120
9	T	35.3	Very low	33.8	Very low	121 Å²	121	149.8 Å²	149.8	74%	0.742	81%	0.806	S	S	*	*			trans	-78.6	159.2	169	50.9	0	0	0	0	114.2
10	V	29.9	Very low	33.8	Very low	133 Å²	133	147.6 Å²	147.6	81%	0.806	80%	0.802	S	S	*	*			trans	179.4	127	140.8	138.7	0	0	0	0	106.6
11	N	30.1	Very low	33.8	Very low	139 Å²	139	147.5 Å²	147.5	74%	0.743	81%	0.806	S	S	*	*				37.7	147.8	97	-84.5	17.8	0	0	0	114.4
12	E	30.6	Very low	34	Very low	147 Å²	147	143.6 Å²	143.6	69%	0.687	79%	0.79	S	S	*	*			cis	-147.9	-150	19.3	-146.4	-177.3	137.7	0	0	111.1
13	R	34.8	Very low	33.8	Very low	201 Å²	201	141.9 Å²	141.9	76%	0.758	79%	0.79	S	S	*	*			trans	-73.7	153.8	176.9	-55.1	148	175.9	137.2	-12.2	110.8
14	D	29.1	Very low	33.7	Very low	167 Å²	167	147.7 Å²	147.7	89%	0.893	79%	0.794	S	S	*	*			trans	-129.9	150.9	144.3	-95.5	-47	0	0	0	109.3
15	T	31.7	Very low	33.5	Very low	115 Å²	115	142.2 Å²	142.2	71%	0.706	79%	0.788	S	S	*	*			trans	-124	165.7	-179.4	40.3	0	0	0	0	110.5
16	E	32.1	Very low	33.4	Very low	158 Å²	158	144.9 Å²	144.9	74%	0.738	79%	0.791	S	S	*	*			trans	68.4	122.7	169.7	-62.8	168.2	-162.1	0	0	116.7
17	N	31.1	Very low	33.2	Very low	163 Å²	163	144.1 Å²	144.1	87%	0.872	79%	0.786	S	S	*	*				-153.6	154.3	105.1	-112	-76.7	0	0	0	112.2
18	H	33.9	Very low	33.1	Very low	155 Å²	155	145.5 Å²	145.5	72%	0.718	79%	0.788	S	S	*	*			trans	-83.3	156.9	-178	-77.5	-109.7	0	0	0	112.5
19	T	32.8	Very low	32.6	Very low	153 Å²	153	146.5 Å²	146.5	94%	0.939	79%	0.786	S	S	*	*			trans	-157.5	144.2	138.8	6.4	0	0	0	0	109.3
20	S	33	Very low	32.4	Very low	104 Å²	104	149.6 Å²	149.6	73%	0.727	79%	0.792	S	S	*	*			trans	-152.9	129.9	-170.3	52.4	0	0	0	0	111.2
21	V	35.4	Very low	32.7	Very low	146 Å²	146	148 Å²	148	89%	0.885	78%	0.784	S	S	*	*			trans	-146.7	144.4	171.9	-175.6	0	0	0	0	108.9
22	D	35.5	Very low	32.7	Very low	157 Å²	157	147.5 Å²	147.5	84%	0.84	79%	0.787	S	S	*	*			trans	-79.6	166.7	-171	-53.5	-86.3	0	0	0	116
23	G	30.2	Very low	32.7	Very low	76 Å²	76	150.9 Å²	150.9	78%	0.784	80%	0.799	S	S	*	*			trans	-177.1	85.4	176.4	0	0	0	0	0	116.4
24	Y	30.9	Very low	32.6	Very low	212 Å²	212	146.6 Å²	146.6	83%	0.831	80%	0.799	S	S	*	*			trans	-37	146.1	176.6	-77.3	-97.7	0	0	0	120.4
25	T	31.6	Very low	32.6	Very low	125 Å²	125	143.8 Å²	143.8	77%	0.767	79%	0.793	S	S	*	*			trans	28.1	140.4	146.4	51.7	0	0	0	0	121.2
26	E	31.6	Very low	32.5	Very low	183 Å²	183	144 Å²	144	86%	0.855	80%	0.8	S	S	*	*			cis	-154.9	179.8	49.5	-111.5	-148.4	116.8	0	0	113.3
27	P	42.7	Very low	32.7	Very low	103 Å²	103	148.1 Å²	148.1	67%	0.669	81%	0.808	S	S	*	*			trans	-101.4	148.6	-163.6	37.7	-34.9	0	0	0	117.4
28	H	29	Very low	32.8	Very low	180 Å²	180	149.1 Å²	149.1	83%	0.833	81%	0.808	S	S	*	*			trans	-153.8	147	146.7	-137.7	-89.5	0	0	0	116.1
29	I	33.8	Very low	32.5	Very low	138 Å²	138	149.7 Å²	149.7	71%	0.708	82%	0.816	S	S	*	*			trans	-55	141.4	-170.3	-58.1	159.7	0	0	0	116.5
30	Q	29.6	Very low	32.6	Very low	187 Å²	187	149.6 Å²	149.6	87%	0.874	81%	0.808	S	S	*	*			trans	-145.3	163.4	151.2	-85.8	-146.2	10.2	0	0	112.6
31	P	36.9	Very low	32.8	Very low	99 Å²	99	150.4 Å²	150.4	64%	0.643	81%	0.811	S	S	*	*			trans	-111.4	156.4	-144.9	40.7	-36.6	0	0	0	119
32	T	30.4	Very low	32.8	Very low	129 Å²	129	155.2 Å²	155.2	79%	0.791	81%	0.813	S	S	*	*			trans	43.9	114.4	146.6	58.6	0	0	0	0	121.2
33	K	31.1	Very low	32.5	Very low	218 Å²	218	153.8 Å²	153.8	95%	0.948	81%	0.814	S	S	*	*			trans	-137.4	140.9	137.9	-72.5	-168.1	178.5	177	0	110.2
34	S	31.2	Very low	32.6	Very low	110 Å²	110	160.6 Å²	160.6	77%	0.769	82%	0.816	S	S	*	*			trans	-102.3	136.5	-170.2	42.7	0	0	0	0	114
35	S	30.5	Very low	32.6	Very low	108 Å²	108	158.6 Å²	158.6	76%	0.755	82%	0.82	S	S	*	*			trans	16.7	107.9	154.2	59.1	0	0	0	0	118.6
36	S	29.1	Very low	32.9	Very low	121 Å²	121	156.5 Å²	156.5	85%	0.846	81%	0.81	S	S	*	*			trans	-64.1	148.3	156	45.2	0	0	0	0	111.4
37	R	35.8	Very low	33.3	Very low	243 Å²	243	155.7 Å²	155.7	92%	0.917	81%	0.81	S	S	*	*			trans	-114.9	154.4	166.6	-84.1	-172.9	170.5	-176	-2.4	110.6
38	Q	33.5	Very low	33.1	Very low	185 Å²	185	156.3 Å²	156.3	86%	0.864	81%	0.812	S	S	*	*			trans	-81.1	146.5	-163.4	-64.8	150.4	-38.5	0	0	113
39	N	27.6	Very low	33.8	Very low	167 Å²	167	152.9 Å²	152.9	89%	0.893	81%	0.808	S	S	*	*			trans	-94.7	140.5	164.7	-84.9	-42.8	0	0	0	110.2
40	I	34.7	Very low	33.8	Very low	151 Å²	151	151 Å²	151	77%	0.774	81%	0.814	S	S	*	*			trans	-123.9	133.7	170.4	-66.1	179.9	0	0	0	107.2
41	P	38.4	Very low	34.6	Very low	120 Å²	120	148.2 Å²	148.2	78%	0.779	81%	0.809	S	S	*	*			trans	-79.2	153.4	-163.3	30.9	-36.7	0	0	0	114.1
42	R	34.6	Very low	35	Very low	247 Å²	247	148.9 Å²	148.9	93%	0.932	81%	0.808	S	S	*	*			trans	-107.5	145.9	159.7	-78.7	-177.6	169.7	147.9	-1.6	110.1
43	C	29.5	Very low	36.3	Very low	128 Å²	128	151.1 Å²	151.1	87%	0.865	81%	0.809	S	S	*	*			trans	-70	137.6	-162.8	-61.9	0	0	0	0	113.4
44	R	32.8	Very low	38	Very low	219 Å²	219	143.1 Å²	143.1	83%	0.826	78%	0.775	S	S	*	*			trans	-107.6	86.3	179.5	-174.5	-175.9	-174.4	159.6	3.9	110.2	S46	R44-S46 PolarHBondContact O-N 3.06Å; R44-S46 VanDerWaalsContact O-N 3.13Å
45	N	29.5	Very low	40.7	Very low	170 Å²	170	141.3 Å²	141.3	91%	0.909	76%	0.761	S	S	*	*			trans	-78.5	93.2	168.8	-78.6	8.2	0	0	0	109.2
46	S	39.1	Very low	43.6	Very low	81 Å²	81	141 Å²	141	57%	0.566	75%	0.747	S	S	*	*			trans	-125.8	111.6	175.4	55.4	0	0	0	0	110.5	R44	R44-S46 PolarHBondContact O-N 3.06Å; R44-S46 VanDerWaalsContact O-N 3.13Å
47	I	39.8	Very low	46.7	Very low	166 Å²	166	136.4 Å²	136.4	85%	0.851	71%	0.713	S	S	*	*			trans	-120.7	114.4	168.9	-66.3	180	0	0	0	107.7
48	T	38.3	Very low	49.5	Very low	116 Å²	116	127.2 Å²	127.2	71%	0.712	69%	0.694	S	S	*	*			trans	8.4	119.8	162	55.6	0	0	0	0	118.5
49	S	42.7	Very low	52.4	Low	107 Å²	107	120.1 Å²	120.1	75%	0.748	66%	0.662	S	S	*	*			cis	89.2	92.3	43.3	77.8	0	0	0	0	115.4
50	A	34.8	Very low	55.8	Low	100 Å²	100	112.2 Å²	112.2	83%	0.826	62%	0.619	S	S	*	*			trans	-127	124.7	147.1	0	0	0	0	0	107	D52	A50-D52 PolarHBondContact O-N 3.14Å
51	T	45.6	Very low	58.7	Low	127 Å²	127	110.3 Å²	110.3	78%	0.779	60%	0.603	S	S	*	*			trans	-91.4	91.5	-166.9	49.1	0	0	0	0	112.6
52	D	46	Very low	61.5	Low	114 Å²	114	105.3 Å²	105.3	61%	0.61	57%	0.569	S	S	*	*			trans	-94.6	84.9	150.6	-174.5	10.8	0	0	0	108.2	A50 Q54	A50-D52 PolarHBondContact O-N 3.14Å; D52-Q54 PolarHBondContact O-N 3.01Å; D52-Q54 WeakPolarHBondContact OD1-CG 3.49Å; D52-Q54 WeakPolarHBondContact OD2-CG 3.33Å; D52-Q54 PolarHBondContact OD2-NE2 3.48Å
53	E	58	Low	64.3	Low	175 Å²	175	96 Å²	96	82%	0.818	54%	0.536	S	S	*	.			trans	-73.6	67.4	173.9	-73.3	-144.1	142.1	0	0	110.9	P55	E53-P55 WeakPolarHBondContact O-CD 3.29Å; E53-P55 VanDerWaalsContact O-N 3.17Å
54	Q	66.2	Low	67.2	Low	50 Å²	50	92.9 Å²	92.9	23%	0.234	51%	0.508	C	S	.	.	P	Polyproline II helix	trans	-53.1	118.3	167.6	-62.9	177.3	3.3	0	0	108.2	D52 H56 R61	D52-Q54 PolarHBondContact O-N 3.01Å; D52-Q54 WeakPolarHBondContact OD1-CG 3.49Å; D52-Q54 WeakPolarHBondContact OD2-CG 3.33Å; D52-Q54 PolarHBondContact OD2-NE2 3.48Å; Q54-H56 PolarHBondContact O-CE1 3.33Å; Q54-H56 PolarHBondContact O-N 3.13Å; Q54-H56 PolarHBondContact O-ND1 2.68Å; Q54-R61 HydrophobicContact CB-CG 3.64Å; Q54-R61 VanDerWaalsContact OE1-CD 3.23Å
55	P	87.9	Confident	70	Confident	73 Å²	73	84.7 Å²	84.7	47%	0.474	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-65.4	138.8	-167	22.2	-32.2	0	0	0	111.4	E53 L62	E53-P55 WeakPolarHBondContact O-CD 3.29Å; E53-P55 VanDerWaalsContact O-N 3.17Å; P55-L62 HydrophobicContact CG-CB 4.38Å; P55-L62 WeakPolarHBondContact O-CB 3.34Å; P55-L62 WeakPolarHBondContact O-CG 3.33Å; P55-L62 PolarHBondContact O-N 3.41Å
56	H	92.3	Very high	72.9	Confident	100 Å²	100	77.6 Å²	77.6	46%	0.463	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	153.1	-179.4	-65.4	68.4	0	0	0	111.6	Q54 Y60 R61	Q54-H56 PolarHBondContact O-CE1 3.33Å; Q54-H56 PolarHBondContact O-N 3.13Å; Q54-H56 PolarHBondContact O-ND1 2.68Å; H56-Y60 CarbonylContact C-O 3.55Å; H56-Y60 VanDerWaalsContact CA-O 3.24Å; H56-Y60 WeakPolarHBondContact CA-O 3.47Å; H56-R61 PolarHBondContact CE1-NE 2.95Å; H56-R61 VanDerWaalsContact CE1-NE 3.33Å; H56-R61 PolarHBondContact NE2-NE 3.17Å
57	I	93.9	Very high	75.2	Confident	26 Å²	26	74.6 Å²	74.6	13%	0.133	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	121.2	167.1	-178.7	62.7	0	0	0	107.9	N59 Y60 L62 I126 Y133	I57-N59 PolarHBondContact O-N 3.07Å; I57-Y60 PolarHBondContact N-O 2.81Å; I57-Y60 WeakPolarHBondContact O-CB 3.44Å; I57-Y60 WeakPolarHBondContact O-CD2 3.39Å; I57-Y60 PolarHBondContact O-N 3.07Å; I57-L62 HydrophobicContact CG2-CD1 3.95Å; I57-L62 HydrophobicContact CG2-CD2 3.72Å; I57-L62 HydrophobicContact CG2-CG 3.89Å; I57-I126 HydrophobicContact CD1-CG2 4.23Å; I57-I126 HydrophobicContact CG1-CD1 4.04Å; I57-I126 HydrophobicContact CG1-CG2 4.35Å; I57-Y133 HydrophobicContact CB-CE1 4.35Å; I57-Y133 HydrophobicContact CD1-CD2 4.27Å; I57-Y133 HydrophobicContact CD1-CE1 4.38Å; I57-Y133 HydrophobicContact CD1-CE2 3.89Å; I57-Y133 HydrophobicContact CG1-CD1 3.92Å; I57-Y133 HydrophobicContact CG1-CD2 4.1Å; I57-Y133 HydrophobicContact CG1-CE1 3.9Å; I57-Y133 HydrophobicContact CG1-CE2 4.08Å; I57-Y133 HydrophobicContact CG1-CG 4.04Å; I57-Y133 HydrophobicContact CG2-CD1 4.2Å; I57-Y133 HydrophobicContact CG2-CE1 4.37Å
58	G	94	Very high	77.3	Confident	50 Å²	50	71.9 Å²	71.9	52%	0.515	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	-136.4	-166.2	0	0	0	0	0	111.3	Y60	G58-Y60 PolarHBondContact O-N 3.49Å; G58-Y60 VanDerWaalsContact O-N 3.17Å
59	N	95.7	Very high	79.2	Confident	36 Å²	36	68.5 Å²	68.5	19%	0.193	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	22	176.5	-64.3	-54.6	0	0	0	114.4	I57 H79 V80 L81 E360	I57-N59 PolarHBondContact O-N 3.07Å; N59-H79 VanDerWaalsContact CB-NE2 3.31Å; N59-H79 WeakPolarHBondContact CB-NE2 3.28Å; N59-H79 CarbonylContact O-C 3.53Å; N59-H79 WeakPolarHBondContact O-CA 3.24Å; N59-H79 PolarHBondContact O-CD2 3.46Å; N59-V80 WeakPolarHBondContact O-CG2 3.16Å; N59-V80 PolarHBondContact O-N 2.76Å; N59-L81 HydrophobicContact CB-CG 4.47Å; N59-E360 PolarHBondContact ND2-OE2 3.46Å
60	Y	97.8	Very high	80.8	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	123.7	-175.3	-57	-83.1	0	0	0	113.2	H56 I57 G58 R78 H79 V86 E124 I126 V135 L367	H56-Y60 CarbonylContact C-O 3.55Å; H56-Y60 VanDerWaalsContact CA-O 3.24Å; H56-Y60 WeakPolarHBondContact CA-O 3.47Å; I57-Y60 PolarHBondContact N-O 2.81Å; I57-Y60 WeakPolarHBondContact O-CB 3.44Å; I57-Y60 WeakPolarHBondContact O-CD2 3.39Å; I57-Y60 PolarHBondContact O-N 3.07Å; G58-Y60 PolarHBondContact O-N 3.49Å; G58-Y60 VanDerWaalsContact O-N 3.17Å; Y60-R78 WeakPolarHBondContact CA-O 3.39Å; Y60-H79 HydrophobicContact CD1-CB 3.84Å; Y60-H79 AromaticContact CD1-CD2 3.76Å; Y60-H79 HydrophobicContact CE1-CB 3.59Å; Y60-H79 AromaticContact CE1-CD2 3.27Å; Y60-H79 WeakPolarHBondContact CE1-CD2 3.35Å; Y60-H79 AromaticContact CE1-CG 3.66Å; Y60-H79 AromaticContact CZ-CD2 3.46Å; Y60-H79 VanDerWaalsContact CZ-CD2 3.46Å; Y60-V86 HydrophobicContact CD1-CG2 3.62Å; Y60-V86 HydrophobicContact CE1-CG1 4.37Å; Y60-V86 HydrophobicContact CE1-CG2 3.83Å; Y60-E124 VanDerWaalsContact CE2-OE2 3.27Å; Y60-E124 WeakPolarHBondContact CE2-OE2 3.31Å; Y60-E124 PolarHBondContact OH-OE2 2.7Å; Y60-I126 HydrophobicContact CD2-CD1 4.1Å; Y60-I126 HydrophobicContact CE2-CD1 4.25Å; Y60-V135 HydrophobicContact CD1-CG1 4.23Å; Y60-V135 HydrophobicContact CD2-CG2 4.14Å; Y60-V135 HydrophobicContact CE1-CG1 3.65Å; Y60-V135 HydrophobicContact CE2-CG1 4.23Å; Y60-V135 HydrophobicContact CE2-CG2 3.83Å; Y60-L367 HydrophobicContact CE1-CD1 4.26Å
61	R	96.8	Very high	82.9	Confident	111 Å²	111	72 Å²	72	42%	0.419	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	113.3	168.5	-172.9	174.9	-60.8	177.8	2.8	109.8	Q54 H56 A77 R78	Q54-R61 HydrophobicContact CB-CG 3.64Å; Q54-R61 VanDerWaalsContact OE1-CD 3.23Å; H56-R61 PolarHBondContact CE1-NE 2.95Å; H56-R61 VanDerWaalsContact CE1-NE 3.33Å; H56-R61 PolarHBondContact NE2-NE 3.17Å; R61-A77 CarbonylContact O-C 3.58Å; R61-A77 WeakPolarHBondContact O-CA 3.16Å; R61-A77 VanDerWaalsContact O-CB 3.31Å; R61-A77 WeakPolarHBondContact O-CB 3.49Å; R61-R78 PolarHBondContact N-O 3.03Å; R61-R78 PolarHBondContact O-N 3.48Å
62	L	95.8	Very high	84.9	Confident	15 Å²	15	67 Å²	67	8%	0.079	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	126.2	-178.2	-59.3	175.8	0	0	0	111.3	P55 I57 K75 A77 V88 I90	P55-L62 HydrophobicContact CG-CB 4.38Å; P55-L62 WeakPolarHBondContact O-CB 3.34Å; P55-L62 WeakPolarHBondContact O-CG 3.33Å; P55-L62 PolarHBondContact O-N 3.41Å; I57-L62 HydrophobicContact CG2-CD1 3.95Å; I57-L62 HydrophobicContact CG2-CD2 3.72Å; I57-L62 HydrophobicContact CG2-CG 3.89Å; L62-K75 HydrophobicContact CB-CD 3.9Å; L62-K75 HydrophobicContact CD1-CD 4.36Å; L62-A77 HydrophobicContact CD2-CB 3.91Å; L62-V88 HydrophobicContact CD2-CB 4.13Å; L62-V88 HydrophobicContact CD2-CG1 4.29Å; L62-V88 HydrophobicContact CD2-CG2 4.01Å; L62-I90 HydrophobicContact CD1-CD1 4.38Å
63	Q	94	Very high	87.1	Confident	52 Å²	52	66.5 Å²	66.5	24%	0.243	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-143.1	179.6	-53.1	-167.3	-63.3	0	0	110.6	K75 L76	Q63-K75 WeakPolarHBondContact O-CD 3.46Å; Q63-K75 WeakPolarHBondContact O-CE 3.43Å; Q63-K75 PolarHBondContact O-NZ 2.93Å; Q63-L76 WeakPolarHBondContact CA-O 3.43Å; Q63-L76 HydrophobicContact CB-CB 4.39Å; Q63-L76 HydrophobicContact CB-CG 4.45Å; Q63-L76 WeakPolarHBondContact CB-O 3.5Å; Q63-L76 PolarHBondContact N-O 3.15Å
64	K	89.9	Confident	88.9	Confident	62 Å²	62	59.8 Å²	59.8	27%	0.27	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	152.4	-176.4	70.9	177	-174.6	168.6	0	113.4	I66 K75 L76 E741	K64-I66 HydrophobicContact CG-CG2 4.38Å; K64-I66 PolarHBondContact O-N 3.03Å; K64-K75 WeakPolarHBondContact O-CA 3.42Å; K64-L76 PolarHBondContact O-N 3.44Å; K64-E741 WeakPolarHBondContact CD-OE1 3.22Å; K64-E741 WeakPolarHBondContact CE-OE1 3.24Å; K64-E741 IonicContact NZ-OE1 3.53Å; K64-E741 PolarHBondContact NZ-OE1 2.98Å; K64-E741 IonicContact NZ-OE2 3.25Å; K64-E741 PolarHBondContact NZ-OE2 3.06Å
65	T	91.7	Very high	90.3	Very high	47 Å²	47	59.3 Å²	59.3	29%	0.288	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	126.8	172.3	-53.7	0	0	0	0	108.8	G67 K73	T65-G67 WeakPolarHBondContact CG2-O 3.25Å; T65-K73 HydrophobicContact CG2-CD 4.23Å; T65-K73 HydrophobicContact CG2-CG 3.75Å
66	I	89.8	Confident	90.6	Very high	22 Å²	22	56.5 Å²	56.5	11%	0.113	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	-8.3	-179	58.4	174.5	0	0	0	113.5	K64 V74 L76 A87 Y138	K64-I66 HydrophobicContact CG-CG2 4.38Å; K64-I66 PolarHBondContact O-N 3.03Å; I66-V74 HydrophobicContact CD1-CG1 4.02Å; I66-V74 HydrophobicContact CG1-CB 4.25Å; I66-V74 HydrophobicContact CG1-CG1 3.83Å; I66-V74 PolarHBondContact N-O 3.5Å; I66-L76 HydrophobicContact CD1-CB 4.33Å; I66-L76 HydrophobicContact CG2-CB 3.79Å; I66-A87 HydrophobicContact CD1-CB 4.07Å; I66-Y138 HydrophobicContact CD1-CD2 3.79Å; I66-Y138 HydrophobicContact CD1-CE2 3.74Å
67	G	87.3	Confident	90.9	Very high	17 Å²	17	51.8 Å²	51.8	18%	0.175	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	149.7	171.1	0	0	0	0	0	111.4	T65 V74 I760	T65-G67 WeakPolarHBondContact CG2-O 3.25Å; G67-V74 PolarHBondContact N-O 3.36Å; G67-V74 PolarHBondContact O-N 3.36Å; G67-I760 CarbonylContact C-O 3.58Å; G67-I760 WeakPolarHBondContact CA-O 3.45Å
68	K	85.6	Confident	91	Very high	109 Å²	109	54.2 Å²	54.2	47%	0.474	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	119	-179.3	170.9	-170.5	165.1	-163.7	0	109.8	I760 S761	K68-I760 PolarHBondContact N-O 3.01Å; K68-S761 WeakPolarHBondContact O-CB 3.36Å
69	G	77.1	Confident	91.1	Very high	46 Å²	46	51.9 Å²	51.9	47%	0.474	26%	0.261	S	S	.	.			trans	-117	-174.1	172.1	0	0	0	0	0	111.8	F71 A72	G69-F71 PolarHBondContact O-N 3.12Å; G69-A72 PolarHBondContact N-O 3.15Å
70	N	76.1	Confident	91.1	Very high	148 Å²	148	53.8 Å²	53.8	79%	0.791	27%	0.274	S	S	*	.	S	Bend	trans	-66.5	-37.5	-172	-62.4	-2	0	0	0	113.6
71	F	78.9	Confident	91	Very high	131 Å²	131	56.8 Å²	56.8	58%	0.575	29%	0.29	S	S	*	.	S	Bend	trans	-117.9	0.9	-174.4	-49.6	-68.3	0	0	0	113.5	G69 L96	G69-F71 PolarHBondContact O-N 3.12Å; F71-L96 HydrophobicContact CB-CD2 4.32Å
72	A	88.3	Confident	90.9	Very high	24 Å²	24	52.4 Å²	52.4	20%	0.198	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	145.5	-172.7	0	0	0	0	0	112.3	G69 K89 I90 I91	G69-A72 PolarHBondContact N-O 3.15Å; A72-K89 HydrophobicContact CB-CG 4.14Å; A72-I90 WeakPolarHBondContact CA-O 3.49Å; A72-I91 HydrophobicContact CB-CG1 4.06Å
73	K	92.6	Very high	90.8	Very high	102 Å²	102	53 Å²	53	44%	0.443	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	124.8	174.2	-173.9	-176.6	-62	173.8	0	109.1	T65 I90	T65-K73 HydrophobicContact CG2-CD 4.23Å; T65-K73 HydrophobicContact CG2-CG 3.75Å; K73-I90 PolarHBondContact N-O 3.1Å; K73-I90 WeakPolarHBondContact O-CB 3.19Å; K73-I90 PolarHBondContact O-N 3.14Å
74	V	94.4	Very high	90.8	Very high	34 Å²	34	51.9 Å²	51.9	21%	0.206	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	123	178.1	-168.9	0	0	0	0	109.3	I66 G67 A87 V88 K89	I66-V74 HydrophobicContact CD1-CG1 4.02Å; I66-V74 HydrophobicContact CG1-CB 4.25Å; I66-V74 HydrophobicContact CG1-CG1 3.83Å; I66-V74 PolarHBondContact N-O 3.5Å; G67-V74 PolarHBondContact N-O 3.36Å; G67-V74 PolarHBondContact O-N 3.36Å; V74-A87 HydrophobicContact CG1-CB 4.08Å; V74-V88 WeakPolarHBondContact CA-O 3.42Å; V74-K89 HydrophobicContact CG2-CB 4.26Å; V74-K89 HydrophobicContact CG2-CG 4.3Å
75	K	95.9	Very high	91	Very high	40 Å²	40	52.8 Å²	52.8	17%	0.174	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	146.9	172.8	-79.5	-164.5	161.8	-144	0	111.3	L62 Q63 K64 A87 V88 I90	L62-K75 HydrophobicContact CB-CD 3.9Å; L62-K75 HydrophobicContact CD1-CD 4.36Å; Q63-K75 WeakPolarHBondContact O-CD 3.46Å; Q63-K75 WeakPolarHBondContact O-CE 3.43Å; Q63-K75 PolarHBondContact O-NZ 2.93Å; K64-K75 WeakPolarHBondContact O-CA 3.42Å; K75-A87 CarbonylContact O-C 3.55Å; K75-A87 WeakPolarHBondContact O-CA 3.49Å; K75-V88 PolarHBondContact N-O 3.27Å; K75-V88 PolarHBondContact O-N 3.39Å; K75-I90 HydrophobicContact CD-CD1 4.19Å; K75-I90 HydrophobicContact CG-CD1 4.25Å
76	L	95.8	Very high	91.3	Very high	15 Å²	15	50.5 Å²	50.5	8%	0.079	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	142.5	156.8	179.9	61.4	0	0	0	108	Q63 K64 I66 E85 Y138	Q63-L76 WeakPolarHBondContact CA-O 3.43Å; Q63-L76 HydrophobicContact CB-CB 4.39Å; Q63-L76 HydrophobicContact CB-CG 4.45Å; Q63-L76 WeakPolarHBondContact CB-O 3.5Å; Q63-L76 PolarHBondContact N-O 3.15Å; K64-L76 PolarHBondContact O-N 3.44Å; I66-L76 HydrophobicContact CD1-CB 4.33Å; I66-L76 HydrophobicContact CG2-CB 3.79Å; L76-E85 HydrophobicContact CD1-CB 4.13Å; L76-Y138 HydrophobicContact CD1-CD1 3.51Å; L76-Y138 HydrophobicContact CD1-CD2 4.14Å; L76-Y138 HydrophobicContact CD1-CE1 3.53Å; L76-Y138 HydrophobicContact CD1-CE2 4.18Å; L76-Y138 HydrophobicContact CD1-CG 3.83Å; L76-Y138 HydrophobicContact CD2-CE1 4.42Å
77	A	97	Very high	91.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	161.2	172.1	0	0	0	0	0	110.9	R61 L62 E85 V86 V88	R61-A77 CarbonylContact O-C 3.58Å; R61-A77 WeakPolarHBondContact O-CA 3.16Å; R61-A77 VanDerWaalsContact O-CB 3.31Å; R61-A77 WeakPolarHBondContact O-CB 3.49Å; L62-A77 HydrophobicContact CD2-CB 3.91Å; A77-E85 WeakPolarHBondContact O-CA 3.31Å; A77-V86 HydrophobicContact CB-CG2 3.95Å; A77-V86 PolarHBondContact N-O 3.16Å; A77-V86 PolarHBondContact O-N 2.79Å; A77-V88 HydrophobicContact CB-CG2 3.65Å
78	R	96.5	Very high	92.1	Very high	78 Å²	78	49 Å²	49	29%	0.294	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126.3	171.4	-166.2	174.8	-57.7	-73.8	-8	110.3	Y60 R61 V80 G83 R84 E85	Y60-R78 WeakPolarHBondContact CA-O 3.39Å; R61-R78 PolarHBondContact N-O 3.03Å; R61-R78 PolarHBondContact O-N 3.48Å; R78-V80 PolarHBondContact O-N 3.46Å; R78-G83 WeakPolarHBondContact CD-O 3.38Å; R78-G83 WeakPolarHBondContact CG-O 3.5Å; R78-G83 PolarHBondContact NH1-O 2.9Å; R78-R84 CarbonylContact C-O 3.58Å; R78-R84 WeakPolarHBondContact CA-O 3.25Å; R78-E85 IonicContact CZ-OE1 2.69Å; R78-E85 VanDerWaalsContact NH1-CG 3.31Å; R78-E85 IonicContact NH1-OE1 2.88Å; R78-E85 PolarHBondContact NH1-OE1 3.18Å; R78-E85 IonicContact NH2-OE1 3.29Å; R78-E85 PolarHBondContact NH2-OE1 3.02Å
79	H	97.1	Very high	92.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	125.5	170.5	-170.8	-126.3	0	0	0	109.6	N59 Y60 T82 G83 R84 T364 L367	N59-H79 VanDerWaalsContact CB-NE2 3.31Å; N59-H79 WeakPolarHBondContact CB-NE2 3.28Å; N59-H79 CarbonylContact O-C 3.53Å; N59-H79 WeakPolarHBondContact O-CA 3.24Å; N59-H79 PolarHBondContact O-CD2 3.46Å; Y60-H79 HydrophobicContact CD1-CB 3.84Å; Y60-H79 AromaticContact CD1-CD2 3.76Å; Y60-H79 HydrophobicContact CE1-CB 3.59Å; Y60-H79 AromaticContact CE1-CD2 3.27Å; Y60-H79 WeakPolarHBondContact CE1-CD2 3.35Å; Y60-H79 AromaticContact CE1-CG 3.66Å; Y60-H79 AromaticContact CZ-CD2 3.46Å; Y60-H79 VanDerWaalsContact CZ-CD2 3.46Å; H79-T82 PolarHBondContact ND1-OG1 2.94Å; H79-G83 VanDerWaalsContact O-CA 3.25Å; H79-G83 WeakPolarHBondContact O-CA 3.31Å; H79-G83 PolarHBondContact O-N 3.04Å; H79-R84 PolarHBondContact N-O 2.81Å; H79-T364 PolarHBondContact CE1-OG1 2.73Å; H79-L367 HydrophobicContact CB-CD1 3.88Å
80	V	95.6	Very high	93.5	Very high	77 Å²	77	44 Å²	44	47%	0.467	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-43.2	-171.1	175.1	0	0	0	0	111.2	N59 R78	N59-V80 WeakPolarHBondContact O-CG2 3.16Å; N59-V80 PolarHBondContact O-N 2.76Å; R78-V80 PolarHBondContact O-N 3.46Å
81	L	94.1	Very high	94.3	Very high	63 Å²	63	37.2 Å²	37.2	33%	0.33	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-31.5	-174.9	-54.1	-179.8	0	0	0	113.7	N59 M342 F344	N59-L81 HydrophobicContact CB-CG 4.47Å; L81-M342 HydrophobicContact CB-SD 4.38Å; L81-M342 WeakPolarHBondContact O-CE 3.41Å; L81-F344 HydrophobicContact CD1-CE2 3.91Å; L81-F344 HydrophobicContact CD1-CZ 3.79Å
82	T	94.9	Very high	95	Very high	18 Å²	18	33.5 Å²	33.5	11%	0.11	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-0.6	-173.1	65.1	0	0	0	0	114.2	H79 R84 M342 T364 L368	H79-T82 PolarHBondContact ND1-OG1 2.94Å; T82-R84 WeakPolarHBondContact O-CD 3.48Å; T82-R84 WeakPolarHBondContact O-CG 3.32Å; T82-R84 PolarHBondContact O-N 3.06Å; T82-R84 VanDerWaalsContact O-N 3.16Å; T82-R84 PolarHBondContact O-NE 3.31Å; T82-R84 VanDerWaalsContact O-NE 3.08Å; T82-R84 WeakPolarHBondContact OG1-CG 3.42Å; T82-M342 HydrophobicContact CG2-CE 4.44Å; T82-T364 HydrophobicContact CG2-CG2 4.02Å; T82-L368 HydrophobicContact CG2-CD2 3.79Å; T82-L368 HydrophobicContact CG2-CG 3.89Å
83	G	93.4	Very high	95.1	Very high	28 Å²	28	34.1 Å²	34.1	29%	0.289	17%	0.174	S	C	.	.			trans	69.2	2.2	178.2	0	0	0	0	0	115.9	R78 H79	R78-G83 WeakPolarHBondContact CD-O 3.38Å; R78-G83 WeakPolarHBondContact CG-O 3.5Å; R78-G83 PolarHBondContact NH1-O 2.9Å; H79-G83 VanDerWaalsContact O-CA 3.25Å; H79-G83 WeakPolarHBondContact O-CA 3.31Å; H79-G83 PolarHBondContact O-N 3.04Å
84	R	93.8	Very high	95	Very high	29 Å²	29	33.8 Å²	33.8	11%	0.109	18%	0.18	C	C	.	.			trans	-82.1	147.9	-168.2	-52	-45.8	177.9	77.8	11.7	113	R78 H79 T82 L367 L368 R370 K371	R78-R84 CarbonylContact C-O 3.58Å; R78-R84 WeakPolarHBondContact CA-O 3.25Å; H79-R84 PolarHBondContact N-O 2.81Å; T82-R84 WeakPolarHBondContact O-CD 3.48Å; T82-R84 WeakPolarHBondContact O-CG 3.32Å; T82-R84 PolarHBondContact O-N 3.06Å; T82-R84 VanDerWaalsContact O-N 3.16Å; T82-R84 PolarHBondContact O-NE 3.31Å; T82-R84 VanDerWaalsContact O-NE 3.08Å; T82-R84 WeakPolarHBondContact OG1-CG 3.42Å; R84-L367 HydrophobicContact CB-CD2 4.22Å; R84-L367 HydrophobicContact CG-CB 4.4Å; R84-L367 PolarHBondContact NH1-O 3.1Å; R84-L367 VanDerWaalsContact NH1-O 3.1Å; R84-L367 PolarHBondContact NH2-O 2.85Å; R84-L368 PolarHBondContact NH2-O 3.14Å; R84-R370 PolarHBondContact NH1-O 2.99Å; R84-R370 PolarHBondContact NH2-O 3.2Å; R84-K371 PolarHBondContact NH1-O 3.49Å
85	E	95.6	Very high	94.7	Very high	80 Å²	80	38.3 Å²	38.3	37%	0.374	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	134.7	175.2	-63.6	-175.5	-178.1	0	0	111.1	L76 A77 R78 Y138	L76-E85 HydrophobicContact CD1-CB 4.13Å; A77-E85 WeakPolarHBondContact O-CA 3.31Å; R78-E85 IonicContact CZ-OE1 2.69Å; R78-E85 VanDerWaalsContact NH1-CG 3.31Å; R78-E85 IonicContact NH1-OE1 2.88Å; R78-E85 PolarHBondContact NH1-OE1 3.18Å; R78-E85 IonicContact NH2-OE1 3.29Å; R78-E85 PolarHBondContact NH2-OE1 3.02Å; E85-Y138 HydrophobicContact CB-CD1 4.01Å
86	V	96.9	Very high	94.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	156.4	-177.5	-59.9	0	0	0	0	110.2	Y60 A77 V88 F123 V135 M136 L367	Y60-V86 HydrophobicContact CD1-CG2 3.62Å; Y60-V86 HydrophobicContact CE1-CG1 4.37Å; Y60-V86 HydrophobicContact CE1-CG2 3.83Å; A77-V86 HydrophobicContact CB-CG2 3.95Å; A77-V86 PolarHBondContact N-O 3.16Å; A77-V86 PolarHBondContact O-N 2.79Å; V86-V88 HydrophobicContact CG2-CG2 4.18Å; V86-F123 HydrophobicContact CG1-CD2 3.89Å; V86-F123 HydrophobicContact CG1-CE2 3.95Å; V86-V135 HydrophobicContact CB-CG1 3.83Å; V86-V135 HydrophobicContact CG1-CG1 4.18Å; V86-V135 HydrophobicContact CG2-CG1 3.68Å; V86-M136 WeakPolarHBondContact CA-O 3.49Å; V86-M136 WeakPolarHBondContact CB-O 3.48Å; V86-L367 HydrophobicContact CG1-CD1 4.38Å; V86-L367 HydrophobicContact CG1-CD2 3.84Å
87	A	97.2	Very high	93.9	Very high	7 Å²	7	41.1 Å²	41.1	6%	0.058	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	122.6	171.8	0	0	0	0	0	109.5	I66 V74 K75 M136	I66-A87 HydrophobicContact CD1-CB 4.07Å; V74-A87 HydrophobicContact CG1-CB 4.08Å; K75-A87 CarbonylContact O-C 3.55Å; K75-A87 WeakPolarHBondContact O-CA 3.49Å; A87-M136 HydrophobicContact CB-CE 4.26Å; A87-M136 PolarHBondContact N-O 3.41Å; A87-M136 WeakPolarHBondContact O-CB 3.28Å; A87-M136 PolarHBondContact O-N 3.23Å
88	V	97.4	Very high	93.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	109	179.2	-174	0	0	0	0	109	L62 V74 K75 A77 V86 I90 Y133 L134 V135	L62-V88 HydrophobicContact CD2-CB 4.13Å; L62-V88 HydrophobicContact CD2-CG1 4.29Å; L62-V88 HydrophobicContact CD2-CG2 4.01Å; V74-V88 WeakPolarHBondContact CA-O 3.42Å; K75-V88 PolarHBondContact N-O 3.27Å; K75-V88 PolarHBondContact O-N 3.39Å; A77-V88 HydrophobicContact CB-CG2 3.65Å; V86-V88 HydrophobicContact CG2-CG2 4.18Å; V88-I90 HydrophobicContact CG1-CG1 4.07Å; V88-I90 PolarHBondContact O-N 2.86Å; V88-Y133 HydrophobicContact CG1-CD1 4.03Å; V88-L134 CarbonylContact C-O 3.35Å; V88-L134 WeakPolarHBondContact CA-O 3.48Å; V88-V135 HydrophobicContact CG2-CG1 4.48Å; V88-V135 HydrophobicContact CG2-CG2 4.35Å
89	K	95.7	Very high	92.9	Very high	15 Å²	15	46.6 Å²	46.6	7%	0.065	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	106.4	173	-179	176.8	169.9	-179.8	0	108.1	A72 V74 I91 E107 L134 M136 D200	A72-K89 HydrophobicContact CB-CG 4.14Å; V74-K89 HydrophobicContact CG2-CB 4.26Å; V74-K89 HydrophobicContact CG2-CG 4.3Å; K89-I91 HydrophobicContact CD-CD1 4.22Å; K89-I91 HydrophobicContact CG-CD1 4.03Å; K89-I91 HydrophobicContact CG-CG1 4Å; K89-E107 IonicContact NZ-OE1 3.83Å; K89-E107 PolarHBondContact NZ-OE1 3.45Å; K89-E107 IonicContact NZ-OE2 2.67Å; K89-E107 PolarHBondContact NZ-OE2 2.9Å; K89-L134 HydrophobicContact CB-CB 4.34Å; K89-L134 PolarHBondContact N-O 3.13Å; K89-L134 PolarHBondContact O-N 2.95Å; K89-M136 HydrophobicContact CB-CE 3.67Å; K89-M136 HydrophobicContact CB-SD 4.27Å; K89-D200 IonicContact NZ-OD1 3.15Å; K89-D200 PolarHBondContact NZ-OD1 2.7Å
90	I	95.4	Very high	92.3	Very high	34 Å²	34	47.9 Å²	47.9	17%	0.174	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	124.8	-178.5	-48.7	176.9	0	0	0	108.5	L62 A72 K73 K75 V88 T131 Y133	L62-I90 HydrophobicContact CD1-CD1 4.38Å; A72-I90 WeakPolarHBondContact CA-O 3.49Å; K73-I90 PolarHBondContact N-O 3.1Å; K73-I90 WeakPolarHBondContact O-CB 3.19Å; K73-I90 PolarHBondContact O-N 3.14Å; K75-I90 HydrophobicContact CD-CD1 4.19Å; K75-I90 HydrophobicContact CG-CD1 4.25Å; V88-I90 HydrophobicContact CG1-CG1 4.07Å; V88-I90 PolarHBondContact O-N 2.86Å; I90-T131 HydrophobicContact CG2-CG2 3.65Å; I90-Y133 HydrophobicContact CB-CD1 4.36Å; I90-Y133 HydrophobicContact CB-CE1 4.46Å; I90-Y133 HydrophobicContact CD1-CD1 4.47Å; I90-Y133 HydrophobicContact CD1-CE1 4.29Å; I90-Y133 HydrophobicContact CG1-CD1 3.88Å; I90-Y133 HydrophobicContact CG1-CE1 4.09Å; I90-Y133 HydrophobicContact CG2-CD1 4.03Å; I90-Y133 HydrophobicContact CG2-CE1 3.73Å
91	I	94	Very high	91.9	Very high	7 Å²	7	46.8 Å²	46.8	4%	0.036	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	119.9	-171.2	-51.4	172.5	0	0	0	108.9	A72 K89 K93 L96 L104 T131 L132 L134	A72-I91 HydrophobicContact CB-CG1 4.06Å; K89-I91 HydrophobicContact CD-CD1 4.22Å; K89-I91 HydrophobicContact CG-CD1 4.03Å; K89-I91 HydrophobicContact CG-CG1 4Å; I91-K93 PolarHBondContact O-N 3.1Å; I91-L96 HydrophobicContact CG2-CD1 4.12Å; I91-L104 HydrophobicContact CD1-CD1 3.45Å; I91-L104 VanDerWaalsContact CD1-CD1 3.45Å; I91-L104 HydrophobicContact CD1-CD2 4.4Å; I91-L104 HydrophobicContact CG2-CD2 3.89Å; I91-T131 CarbonylContact O-C 3.2Å; I91-T131 WeakPolarHBondContact O-CA 3.44Å; I91-T131 WeakPolarHBondContact O-CG2 3.44Å; I91-L132 PolarHBondContact N-O 2.91Å; I91-L132 PolarHBondContact O-N 3.18Å; I91-L134 HydrophobicContact CD1-CD1 4.13Å; I91-L134 HydrophobicContact CD1-CG 4.38Å
92	D	92.6	Very high	91.6	Very high	52 Å²	52	50.2 Å²	50.2	28%	0.278	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	112.1	178.5	-176.9	-14.7	0	0	0	109.8	T94 Q95	D92-T94 VanDerWaalsContact C-N 3.29Å; D92-T94 PolarHBondContact O-N 2.93Å; D92-T94 WeakPolarHBondContact OD1-CA 3.41Å; D92-T94 WeakPolarHBondContact OD1-CB 3.35Å; D92-T94 PolarHBondContact OD1-N 3.21Å; D92-T94 PolarHBondContact OD1-OG1 3.23Å; D92-T94 PolarHBondContact OD2-OG1 3.48Å; D92-Q95 HydrophobicContact CB-CG 4.43Å; D92-Q95 PolarHBondContact OD2-NE2 2.71Å
93	K	91.8	Very high	91.1	Very high	38 Å²	38	52.9 Å²	52.9	17%	0.165	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-70.3	-25	-179.6	-65.7	-171.8	-71.4	167.6	0	112.3	I91 Q95 L96 L101 E127 T128 E129 K130 L132	I91-K93 PolarHBondContact O-N 3.1Å; K93-Q95 PolarHBondContact O-N 2.84Å; K93-L96 PolarHBondContact O-N 3.19Å; K93-L101 HydrophobicContact CD-CD1 4.33Å; K93-L101 HydrophobicContact CG-CD1 4.38Å; K93-E127 IonicContact NZ-OE1 3.36Å; K93-E127 PolarHBondContact NZ-OE1 2.9Å; K93-T128 WeakPolarHBondContact CE-O 3.4Å; K93-T128 PolarHBondContact NZ-O 3.35Å; K93-E129 WeakPolarHBondContact CE-O 3.42Å; K93-E129 PolarHBondContact NZ-O 2.71Å; K93-K130 WeakPolarHBondContact CB-O 3.32Å; K93-K130 PolarHBondContact N-O 3.08Å; K93-L132 HydrophobicContact CG-CB 4.44Å
94	T	90.7	Very high	90.9	Very high	94 Å²	94	52 Å²	52	58%	0.577	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-69.4	-21.6	-178.6	71.1	0	0	0	0	112.7	D92 K130	D92-T94 VanDerWaalsContact C-N 3.29Å; D92-T94 PolarHBondContact O-N 2.93Å; D92-T94 WeakPolarHBondContact OD1-CA 3.41Å; D92-T94 WeakPolarHBondContact OD1-CB 3.35Å; D92-T94 PolarHBondContact OD1-N 3.21Å; D92-T94 PolarHBondContact OD1-OG1 3.23Å; D92-T94 PolarHBondContact OD2-OG1 3.48Å; T94-K130 HydrophobicContact CG2-CB 3.89Å; T94-K130 HydrophobicContact CG2-CD 4.36Å; T94-K130 HydrophobicContact CG2-CG 3.94Å
95	Q	86.9	Confident	90.7	Very high	130 Å²	130	55.2 Å²	55.2	61%	0.607	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-92.2	1.4	177.3	-61.2	-177.4	51.9	0	0	113.2	D92 K93	D92-Q95 HydrophobicContact CB-CG 4.43Å; D92-Q95 PolarHBondContact OD2-NE2 2.71Å; K93-Q95 PolarHBondContact O-N 2.84Å
96	L	86.7	Confident	90.5	Very high	28 Å²	28	53.3 Å²	53.3	15%	0.147	28%	0.278	C	S	.	.			trans	-100.4	125.7	-178.2	-57.1	-176.6	0	0	0	111.8	F71 I91 K93 L101 L104	F71-L96 HydrophobicContact CB-CD2 4.32Å; I91-L96 HydrophobicContact CG2-CD1 4.12Å; K93-L96 PolarHBondContact O-N 3.19Å; L96-L101 HydrophobicContact CD1-CD1 4.35Å; L96-L104 HydrophobicContact CD1-CD2 3.72Å
97	N	87.9	Confident	90.3	Very high	86 Å²	86	53.7 Å²	53.7	46%	0.46	28%	0.28	S	S	.	.			trans	-67.7	160.2	163.1	64.5	67.1	0	0	0	110.9	T99 S100 L101	N97-T99 VanDerWaalsContact C-N 3.25Å; N97-T99 PolarHBondContact O-N 3.39Å; N97-T99 VanDerWaalsContact O-N 3.14Å; N97-T99 WeakPolarHBondContact OD1-CB 3.39Å; N97-T99 PolarHBondContact OD1-N 3.43Å; N97-S100 PolarHBondContact ND2-OG 3.31Å; N97-S100 WeakPolarHBondContact O-CA 3.45Å; N97-S100 WeakPolarHBondContact O-CB 3.49Å; N97-S100 PolarHBondContact O-N 3.4Å; N97-S100 PolarHBondContact OD1-N 3.46Å; N97-S100 PolarHBondContact OD1-OG 3.46Å; N97-L101 PolarHBondContact O-N 3.39Å
98	P	87.4	Confident	90.1	Very high	110 Å²	110	54.1 Å²	54.1	71%	0.714	28%	0.281	S	S	*	.	H	α-helix	trans	-54.5	-36.5	-176	-29.4	36.6	0	0	0	114.5	L101 Q102	P98-L101 PolarHBondContact O-N 3.13Å; P98-Q102 WeakPolarHBondContact O-CB 3.27Å; P98-Q102 PolarHBondContact O-N 3.49Å
99	T	86.1	Confident	90	Very high	82 Å²	82	60.4 Å²	60.4	50%	0.503	31%	0.305	S	S	.	.	H	α-helix	trans	-67.3	-37.2	177.2	-47.6	0	0	0	0	112.1	N97 K103	N97-T99 VanDerWaalsContact C-N 3.25Å; N97-T99 PolarHBondContact O-N 3.39Å; N97-T99 VanDerWaalsContact O-N 3.14Å; N97-T99 WeakPolarHBondContact OD1-CB 3.39Å; N97-T99 PolarHBondContact OD1-N 3.43Å; T99-K103 WeakPolarHBondContact O-CG 3.23Å; T99-K103 PolarHBondContact O-N 2.69Å; T99-K103 VanDerWaalsContact O-N 3.13Å
100	S	85.1	Confident	90	Very high	28 Å²	28	59.7 Å²	59.7	20%	0.196	30%	0.302	C	S	.	.	H	α-helix	trans	-71.1	-36.8	173	-67.8	0	0	0	0	112.2	N97 K103 L104	N97-S100 PolarHBondContact ND2-OG 3.31Å; N97-S100 WeakPolarHBondContact O-CA 3.45Å; N97-S100 WeakPolarHBondContact O-CB 3.49Å; N97-S100 PolarHBondContact O-N 3.4Å; N97-S100 PolarHBondContact OD1-N 3.46Å; N97-S100 PolarHBondContact OD1-OG 3.46Å; S100-K103 WeakPolarHBondContact O-CB 3.31Å; S100-K103 PolarHBondContact O-N 2.96Å; S100-L104 PolarHBondContact O-N 3.47Å
101	L	86.6	Confident	90	Very high	53 Å²	53	58.6 Å²	58.6	28%	0.277	30%	0.296	S	S	.	.	H	α-helix	trans	-65.5	-39.1	174.2	-172.2	65.6	0	0	0	111.7	K93 L96 N97 P98 L104 F105	K93-L101 HydrophobicContact CD-CD1 4.33Å; K93-L101 HydrophobicContact CG-CD1 4.38Å; L96-L101 HydrophobicContact CD1-CD1 4.35Å; N97-L101 PolarHBondContact O-N 3.39Å; P98-L101 PolarHBondContact O-N 3.13Å; L101-L104 HydrophobicContact CD1-CD2 4.44Å; L101-L104 WeakPolarHBondContact O-CB 3.33Å; L101-L104 PolarHBondContact O-N 3.39Å; L101-F105 HydrophobicContact CD1-CD2 4.43Å; L101-F105 HydrophobicContact CD1-CE2 3.86Å; L101-F105 HydrophobicContact CD1-CZ 4.29Å; L101-F105 HydrophobicContact CD2-CE2 4.11Å; L101-F105 HydrophobicContact CG-CD2 4.09Å; L101-F105 HydrophobicContact CG-CE2 3.66Å; L101-F105 VanDerWaalsContact O-CD2 3.32Å; L101-F105 WeakPolarHBondContact O-CD2 3.14Å; L101-F105 PolarHBondContact O-N 2.98Å
102	Q	86.7	Confident	90	Very high	136 Å²	136	61 Å²	61	64%	0.636	31%	0.307	S	S	*	.	H	α-helix	trans	-64.1	-40	173.2	-168	-172.9	23.7	0	0	112.2	P98 L104 R106	P98-Q102 WeakPolarHBondContact O-CB 3.27Å; P98-Q102 PolarHBondContact O-N 3.49Å; Q102-L104 VanDerWaalsContact C-N 3.32Å; Q102-R106 PolarHBondContact O-N 3.42Å; Q102-R106 VanDerWaalsContact O-N 3.14Å
103	K	85.6	Confident	90.1	Very high	74 Å²	74	62.2 Å²	62.2	32%	0.322	31%	0.312	S	S	.	.	H	α-helix	trans	-61.2	-41.1	172.2	-71.2	168	-173.7	171.1	0	111.3	T99 S100 R106 E107	T99-K103 WeakPolarHBondContact O-CG 3.23Å; T99-K103 PolarHBondContact O-N 2.69Å; T99-K103 VanDerWaalsContact O-N 3.13Å; S100-K103 WeakPolarHBondContact O-CB 3.31Å; S100-K103 PolarHBondContact O-N 2.96Å; K103-R106 PolarHBondContact O-N 3.21Å; K103-E107 PolarHBondContact O-N 3.39Å
104	L	88.9	Confident	90.3	Very high	9 Å²	9	60.6 Å²	60.6	5%	0.047	31%	0.305	C	S	.	.	H	α-helix	trans	-63.4	-47.9	178.5	179	57.3	0	0	0	112.4	I91 L96 S100 L101 Q102 R106 E107 V108 L132	I91-L104 HydrophobicContact CD1-CD1 3.45Å; I91-L104 VanDerWaalsContact CD1-CD1 3.45Å; I91-L104 HydrophobicContact CD1-CD2 4.4Å; I91-L104 HydrophobicContact CG2-CD2 3.89Å; L96-L104 HydrophobicContact CD1-CD2 3.72Å; S100-L104 PolarHBondContact O-N 3.47Å; L101-L104 HydrophobicContact CD1-CD2 4.44Å; L101-L104 WeakPolarHBondContact O-CB 3.33Å; L101-L104 PolarHBondContact O-N 3.39Å; Q102-L104 VanDerWaalsContact C-N 3.32Å; L104-R106 PolarHBondContact O-N 3.3Å; L104-E107 WeakPolarHBondContact O-CB 3.3Å; L104-E107 PolarHBondContact O-N 2.71Å; L104-E107 VanDerWaalsContact O-N 3.12Å; L104-V108 WeakPolarHBondContact O-CG2 3.34Å; L104-V108 PolarHBondContact O-N 3.41Å; L104-L132 HydrophobicContact CD1-CD2 4.02Å; L104-L132 HydrophobicContact CD2-CB 4.46Å; L104-L132 HydrophobicContact CD2-CD2 3.71Å; L104-L132 HydrophobicContact CG-CD2 3.81Å
105	F	89.5	Confident	90.5	Very high	96 Å²	96	58 Å²	58	42%	0.421	29%	0.288	S	S	.	.	H	α-helix	trans	-63.3	-29.8	175.9	-72.1	-56.6	0	0	0	112.8	L101 R109	L101-F105 HydrophobicContact CD1-CD2 4.43Å; L101-F105 HydrophobicContact CD1-CE2 3.86Å; L101-F105 HydrophobicContact CD1-CZ 4.29Å; L101-F105 HydrophobicContact CD2-CE2 4.11Å; L101-F105 HydrophobicContact CG-CD2 4.09Å; L101-F105 HydrophobicContact CG-CE2 3.66Å; L101-F105 VanDerWaalsContact O-CD2 3.32Å; L101-F105 WeakPolarHBondContact O-CD2 3.14Å; L101-F105 PolarHBondContact O-N 2.98Å; F105-R109 PolarHBondContact O-N 2.91Å; F105-R109 VanDerWaalsContact O-N 3.09Å
106	R	91.4	Very high	91	Very high	40 Å²	40	52.2 Å²	52.2	15%	0.151	26%	0.261	C	S	.	.	H	α-helix	trans	-71.5	-41.1	170.8	-170.1	-179	63.5	-130.3	-7.4	112.4	Q102 K103 L104 V108 R109 I110 S204 N205	Q102-R106 PolarHBondContact O-N 3.42Å; Q102-R106 VanDerWaalsContact O-N 3.14Å; K103-R106 PolarHBondContact O-N 3.21Å; L104-R106 PolarHBondContact O-N 3.3Å; R106-V108 VanDerWaalsContact C-N 3.31Å; R106-V108 PolarHBondContact O-N 3.07Å; R106-R109 PolarHBondContact O-N 3.23Å; R106-I110 HydrophobicContact CG-CD1 3.8Å; R106-I110 HydrophobicContact CG-CG1 4.32Å; R106-I110 WeakPolarHBondContact O-CB 3.45Å; R106-I110 WeakPolarHBondContact O-CG1 3.27Å; R106-I110 PolarHBondContact O-N 3.26Å; R106-S204 PolarHBondContact NE-O 3Å; R106-S204 PolarHBondContact NH2-O 2.85Å; R106-N205 WeakPolarHBondContact CD-OD1 3.33Å; R106-N205 PolarHBondContact NE-OD1 3.19Å; R106-N205 PolarHBondContact NH1-OD1 3.29Å
107	E	92	Very high	91.5	Very high	9 Å²	9	54 Å²	54	4%	0.042	27%	0.274	C	S	.	.	H	α-helix	trans	-54.7	-49.1	172.6	179.5	176.3	-170.1	0	0	110.3	K89 K103 L104 R109 I110 M111 F201 G202	K89-E107 IonicContact NZ-OE1 3.83Å; K89-E107 PolarHBondContact NZ-OE1 3.45Å; K89-E107 IonicContact NZ-OE2 2.67Å; K89-E107 PolarHBondContact NZ-OE2 2.9Å; K103-E107 PolarHBondContact O-N 3.39Å; L104-E107 WeakPolarHBondContact O-CB 3.3Å; L104-E107 PolarHBondContact O-N 2.71Å; L104-E107 VanDerWaalsContact O-N 3.12Å; E107-R109 PolarHBondContact O-N 2.96Å; E107-I110 PolarHBondContact O-N 3.46Å; E107-M111 HydrophobicContact CG-CG 4.39Å; E107-M111 HydrophobicContact CG-SD 4.07Å; E107-M111 WeakPolarHBondContact O-CB 3.09Å; E107-M111 VanDerWaalsContact O-CG 3.3Å; E107-M111 WeakPolarHBondContact O-CG 3.28Å; E107-M111 PolarHBondContact O-N 3.13Å; E107-F201 HydrophobicContact CG-CB 4.09Å; E107-G202 PolarHBondContact OE1-N 2.83Å; E107-G202 WeakPolarHBondContact OE2-CA 3.34Å
108	V	93.7	Very high	92	Very high	15 Å²	15	50.6 Å²	50.6	9%	0.091	26%	0.256	C	S	.	.	H	α-helix	trans	-59.1	-47	177	176.8	0	0	0	0	111.9	L104 R106 I110 M111 K112 V125 L132 L134	L104-V108 WeakPolarHBondContact O-CG2 3.34Å; L104-V108 PolarHBondContact O-N 3.41Å; R106-V108 VanDerWaalsContact C-N 3.31Å; R106-V108 PolarHBondContact O-N 3.07Å; V108-I110 PolarHBondContact O-N 3.41Å; V108-M111 PolarHBondContact O-N 3.31Å; V108-K112 WeakPolarHBondContact O-CG 3.38Å; V108-K112 PolarHBondContact O-N 3.06Å; V108-V125 HydrophobicContact CG1-CG1 4.44Å; V108-V125 HydrophobicContact CG1-CG2 3.97Å; V108-L132 HydrophobicContact CG2-CD2 4.04Å; V108-L134 HydrophobicContact CG2-CD1 4.14Å; V108-L134 HydrophobicContact CG2-CD2 3.66Å
109	R	95	Very high	92.5	Very high	133 Å²	133	45.5 Å²	45.5	50%	0.502	22%	0.223	S	C	.	.	H	α-helix	trans	-59.9	-47.2	178.2	-171.9	-161.9	-59.6	150.9	-3.9	111.8	F105 R106 E107 K112 I113 E206	F105-R109 PolarHBondContact O-N 2.91Å; F105-R109 VanDerWaalsContact O-N 3.09Å; R106-R109 PolarHBondContact O-N 3.23Å; E107-R109 PolarHBondContact O-N 2.96Å; R109-K112 PolarHBondContact O-N 3.49Å; R109-I113 PolarHBondContact O-N 3.3Å; R109-E206 WeakPolarHBondContact CD-OE1 3.25Å; R109-E206 IonicContact CZ-OE1 3.6Å; R109-E206 IonicContact NE-OE1 3.22Å; R109-E206 IonicContact NH1-OE1 2.98Å; R109-E206 PolarHBondContact NH1-OE1 3.18Å; R109-E206 IonicContact NH1-OE2 3.53Å; R109-E206 PolarHBondContact NH1-OE2 3.33Å
110	I	95.2	Very high	93	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.1	-44.9	179.5	-76.3	174.8	0	0	0	110.1	R106 E107 V108 K112 I113 L114 I178 F201 S204 E206	R106-I110 HydrophobicContact CG-CD1 3.8Å; R106-I110 HydrophobicContact CG-CG1 4.32Å; R106-I110 WeakPolarHBondContact O-CB 3.45Å; R106-I110 WeakPolarHBondContact O-CG1 3.27Å; R106-I110 PolarHBondContact O-N 3.26Å; E107-I110 PolarHBondContact O-N 3.46Å; V108-I110 PolarHBondContact O-N 3.41Å; I110-K112 VanDerWaalsContact C-N 3.3Å; I110-K112 PolarHBondContact O-N 2.83Å; I110-I113 WeakPolarHBondContact O-CG1 3.32Å; I110-I113 PolarHBondContact O-N 2.98Å; I110-I113 VanDerWaalsContact O-N 3.15Å; I110-L114 HydrophobicContact CG2-CD1 3.56Å; I110-L114 HydrophobicContact CG2-CG 4.31Å; I110-L114 WeakPolarHBondContact O-CG 3.19Å; I110-L114 PolarHBondContact O-N 3.2Å; I110-I178 HydrophobicContact CD1-CG1 4.41Å; I110-I178 HydrophobicContact CD1-CG2 4.26Å; I110-I178 HydrophobicContact CG1-CD1 4.37Å; I110-I178 HydrophobicContact CG1-CG1 4.23Å; I110-I178 HydrophobicContact CG2-CD1 4.08Å; I110-I178 HydrophobicContact CG2-CG1 4.42Å; I110-I178 HydrophobicContact CG2-CG2 3.91Å; I110-F201 HydrophobicContact CG2-CB 4.43Å; I110-F201 HydrophobicContact CG2-CD1 3.77Å; I110-F201 HydrophobicContact CG2-CE1 4.47Å; I110-F201 HydrophobicContact CG2-CG 4.35Å; I110-S204 VanDerWaalsContact CD1-OG 3.26Å; I110-S204 WeakPolarHBondContact CD1-OG 3.44Å; I110-E206 HydrophobicContact CD1-CG 4.5Å
111	M	95.3	Very high	93.5	Very high	10 Å²	10	43 Å²	43	5%	0.049	20%	0.202	C	C	.	.	H	α-helix	trans	-64	-29.5	175.6	-72.7	-172.6	77.2	0	0	113.9	E107 V108 I113 L122 L134 M136 F201	E107-M111 HydrophobicContact CG-CG 4.39Å; E107-M111 HydrophobicContact CG-SD 4.07Å; E107-M111 WeakPolarHBondContact O-CB 3.09Å; E107-M111 VanDerWaalsContact O-CG 3.3Å; E107-M111 WeakPolarHBondContact O-CG 3.28Å; E107-M111 PolarHBondContact O-N 3.13Å; V108-M111 PolarHBondContact O-N 3.31Å; M111-I113 VanDerWaalsContact C-N 3.28Å; M111-I113 PolarHBondContact O-N 3.48Å; M111-L122 HydrophobicContact CB-CB 4.26Å; M111-L122 HydrophobicContact CB-CD2 4.09Å; M111-L122 HydrophobicContact CE-CB 4.24Å; M111-L122 HydrophobicContact CE-CD1 4.17Å; M111-L134 HydrophobicContact SD-CD1 4.37Å; M111-M136 HydrophobicContact CE-CG 3.98Å; M111-M136 HydrophobicContact CE-SD 3.6Å; M111-F201 HydrophobicContact CG-CB 4.4Å
112	K	95	Very high	94	Very high	58 Å²	58	40.6 Å²	40.6	25%	0.252	19%	0.189	S	C	.	.	H	α-helix	trans	-69.7	-19.4	174.3	-78.6	-163.9	169	-156.2	0	114.1	V108 R109 I110 L122 Q356 K357 Y358	V108-K112 WeakPolarHBondContact O-CG 3.38Å; V108-K112 PolarHBondContact O-N 3.06Å; R109-K112 PolarHBondContact O-N 3.49Å; I110-K112 VanDerWaalsContact C-N 3.3Å; I110-K112 PolarHBondContact O-N 2.83Å; K112-L122 HydrophobicContact CG-CD2 3.79Å; K112-Q356 PolarHBondContact NZ-O 2.7Å; K112-K357 PolarHBondContact NZ-O 3.36Å; K112-Y358 HydrophobicContact CB-CD2 4.4Å; K112-Y358 HydrophobicContact CB-CE2 3.83Å; K112-Y358 HydrophobicContact CD-CD2 3.55Å; K112-Y358 HydrophobicContact CD-CE2 3.82Å; K112-Y358 HydrophobicContact CD-CG 4.27Å; K112-Y358 HydrophobicContact CG-CD2 3.64Å; K112-Y358 HydrophobicContact CG-CE1 4.5Å; K112-Y358 HydrophobicContact CG-CE2 3.56Å; K112-Y358 HydrophobicContact CG-CG 4.15Å; K112-Y358 PolarHBondContact O-OH 3.04Å
113	I	94.8	Very high	94.5	Very high	77 Å²	77	34.2 Å²	34.2	40%	0.395	16%	0.16	S	C	.	.	H	α-helix	trans	-114.4	1.9	-176.7	66.7	172.7	0	0	0	114.5	R109 I110 M111 K176 I178	R109-I113 PolarHBondContact O-N 3.3Å; I110-I113 WeakPolarHBondContact O-CG1 3.32Å; I110-I113 PolarHBondContact O-N 2.98Å; I110-I113 VanDerWaalsContact O-N 3.15Å; M111-I113 VanDerWaalsContact C-N 3.28Å; M111-I113 PolarHBondContact O-N 3.48Å; I113-K176 PolarHBondContact O-NZ 3.33Å; I113-I178 HydrophobicContact CD1-CD1 4.04Å; I113-I178 HydrophobicContact CG1-CD1 4.21Å
114	L	95.8	Very high	95.1	Very high	5 Å²	5	31.1 Å²	31.1	3%	0.026	15%	0.146	C	C	.	.			trans	-101.2	120.8	176.3	-70.9	174.1	0	0	0	111.4	I110 I119 Y172 I178 F201	I110-L114 HydrophobicContact CG2-CD1 3.56Å; I110-L114 HydrophobicContact CG2-CG 4.31Å; I110-L114 WeakPolarHBondContact O-CG 3.19Å; I110-L114 PolarHBondContact O-N 3.2Å; L114-I119 HydrophobicContact CB-CG2 4.44Å; L114-I119 HydrophobicContact CD2-CD1 4.33Å; L114-Y172 HydrophobicContact CB-CE1 4.4Å; L114-Y172 HydrophobicContact CD2-CD1 4Å; L114-Y172 HydrophobicContact CD2-CE1 3.5Å; L114-Y172 VanDerWaalsContact CD2-CE1 3.5Å; L114-I178 HydrophobicContact CD1-CD1 4.42Å; L114-I178 HydrophobicContact CD2-CD1 3.82Å; L114-I178 HydrophobicContact CG-CD1 4.08Å; L114-F201 HydrophobicContact CD1-CD1 3.76Å; L114-F201 HydrophobicContact CD1-CE1 3.27Å; L114-F201 HydrophobicContact CD1-CE2 4.39Å; L114-F201 HydrophobicContact CD1-CG 4.49Å; L114-F201 HydrophobicContact CD1-CZ 3.65Å
115	N	95.3	Very high	95.5	Very high	39 Å²	39	32.4 Å²	32.4	21%	0.209	15%	0.154	C	C	.	.			trans	-144.2	72.6	-171.7	178.5	40.8	0	0	0	109.4	K121 Y172 E325	N115-K121 PolarHBondContact OD1-NZ 2.79Å; N115-Y172 PolarHBondContact N-OH 2.76Å; N115-E325 HydrophobicContact CB-CG 4.47Å; N115-E325 VanDerWaalsContact CB-OE1 3.27Å; N115-E325 WeakPolarHBondContact CB-OE1 3.44Å; N115-E325 PolarHBondContact ND2-OE1 2.76Å
116	H	97.5	Very high	95.8	Very high	9 Å²	9	29.2 Å²	29.2	4%	0.042	14%	0.141	C	C	.	.			trans	-126.5	140.9	-178.5	-179.7	-82.8	0	0	0	109.3	N118 I119 S168 A169 Y172 Y323	H116-N118 PolarHBondContact ND1-N 2.93Å; H116-N118 PolarHBondContact O-N 3.15Å; H116-I119 HydrophobicContact CB-CB 4.27Å; H116-I119 HydrophobicContact CB-CD1 3.82Å; H116-I119 HydrophobicContact CB-CG1 3.93Å; H116-I119 PolarHBondContact O-N 2.86Å; H116-S168 PolarHBondContact NE2-OG 2.73Å; H116-A169 VanDerWaalsContact CE1-CA 3.48Å; H116-A169 WeakPolarHBondContact CE1-CA 3.43Å; H116-A169 PolarHBondContact CE1-N 2.7Å; H116-Y172 HydrophobicContact CB-CD1 3.66Å; H116-Y172 HydrophobicContact CB-CE1 3.76Å; H116-Y172 HydrophobicContact CB-CG 4.2Å; H116-Y172 AromaticContact CD2-CG 3.91Å; H116-Y323 HydrophobicContact CB-CE1 4.49Å; H116-Y323 AromaticContact CD2-CD1 3.4Å; H116-Y323 VanDerWaalsContact CD2-CD1 3.4Å; H116-Y323 WeakPolarHBondContact CD2-CD1 3.33Å; H116-Y323 AromaticContact CD2-CD2 3.97Å; H116-Y323 AromaticContact CD2-CE1 3.95Å; H116-Y323 AromaticContact CD2-CG 3.4Å; H116-Y323 AromaticContact NE2-CG 3.75Å
117	P	96.9	Very high	96	Very high	65 Å²	65	32 Å²	32	42%	0.422	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-26.2	-174.7	21.8	-34.9	0	0	0	114.3	K197 Y323	P117-K197 PolarHBondContact O-NZ 2.66Å; P117-Y323 VanDerWaalsContact CD-CZ 3.49Å; P117-Y323 HydrophobicContact CG-CE2 4.06Å
118	N	97.9	Very high	96.1	Very high	14 Å²	14	34.3 Å²	34.3	8%	0.075	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	18.2	178.1	-56.3	108.7	0	0	0	115.2	H116 Q165 A169 I196 K197 I198	H116-N118 PolarHBondContact ND1-N 2.93Å; H116-N118 PolarHBondContact O-N 3.15Å; N118-Q165 HydrophobicContact CB-CB 4.33Å; N118-A169 HydrophobicContact CB-CB 4.25Å; N118-I196 WeakPolarHBondContact CA-O 3.41Å; N118-I196 HydrophobicContact CB-CB 4.4Å; N118-I196 HydrophobicContact CB-CG2 4.34Å; N118-I196 VanDerWaalsContact CB-O 3.26Å; N118-I196 WeakPolarHBondContact CB-O 3.38Å; N118-I196 PolarHBondContact ND2-O 2.96Å; N118-K197 CarbonylContact O-C 3.54Å; N118-K197 WeakPolarHBondContact O-CA 3.46Å; N118-I198 PolarHBondContact O-N 3.47Å
119	I	97.9	Very high	96	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.015	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-113	143.9	168.8	-63.2	179.3	0	0	0	108.4	L114 H116 K121 A169 Y172 F201	L114-I119 HydrophobicContact CB-CG2 4.44Å; L114-I119 HydrophobicContact CD2-CD1 4.33Å; H116-I119 HydrophobicContact CB-CB 4.27Å; H116-I119 HydrophobicContact CB-CD1 3.82Å; H116-I119 HydrophobicContact CB-CG1 3.93Å; H116-I119 PolarHBondContact O-N 2.86Å; I119-K121 PolarHBondContact O-N 3.16Å; I119-K121 VanDerWaalsContact O-N 3.14Å; I119-A169 HydrophobicContact CD1-CB 4.32Å; I119-A169 HydrophobicContact CG1-CB 3.88Å; I119-Y172 HydrophobicContact CD1-CD1 3.9Å; I119-Y172 HydrophobicContact CD1-CE1 4.21Å; I119-F201 HydrophobicContact CD1-CZ 4.36Å; I119-F201 HydrophobicContact CG2-CE2 3.76Å; I119-F201 HydrophobicContact CG2-CZ 3.84Å
120	V	96.8	Very high	95.9	Very high	10 Å²	10	40.4 Å²	40.4	6%	0.061	20%	0.202	C	C	.	.			trans	-65.1	109.6	173.1	169.1	0	0	0	0	109.7	M136 E137 K197 I198 A199	V120-M136 HydrophobicContact CG1-CB 3.76Å; V120-M136 HydrophobicContact CG1-SD 4.37Å; V120-E137 HydrophobicContact CG1-CB 4.24Å; V120-K197 HydrophobicContact CG2-CB 3.92Å; V120-I198 WeakPolarHBondContact CG2-O 3.24Å; V120-I198 PolarHBondContact N-O 3.47Å; V120-A199 HydrophobicContact CG2-CB 3.89Å
121	K	95.8	Very high	95.9	Very high	49 Å²	49	41.7 Å²	41.7	21%	0.213	21%	0.21	C	C	.	.			trans	-75.6	138.1	180	-173.4	156.3	-173.3	168.6	0	112	N115 I119 F123 M136 E137	N115-K121 PolarHBondContact OD1-NZ 2.79Å; I119-K121 PolarHBondContact O-N 3.16Å; I119-K121 VanDerWaalsContact O-N 3.14Å; K121-F123 HydrophobicContact CB-CE1 4.25Å; K121-F123 HydrophobicContact CG-CD1 4.49Å; K121-F123 HydrophobicContact CG-CE1 4.18Å; K121-M136 CarbonylContact O-C 3.52Å; K121-M136 WeakPolarHBondContact O-CA 3.25Å; K121-E137 PolarHBondContact N-OE2 2.8Å; K121-E137 PolarHBondContact O-N 3.25Å
122	L	97.2	Very high	95.9	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	145.1	168.4	-172.4	69.8	0	0	0	110.5	M111 K112 V125 L134 M136 Y358	M111-L122 HydrophobicContact CB-CB 4.26Å; M111-L122 HydrophobicContact CB-CD2 4.09Å; M111-L122 HydrophobicContact CE-CB 4.24Å; M111-L122 HydrophobicContact CE-CD1 4.17Å; K112-L122 HydrophobicContact CG-CD2 3.79Å; L122-V125 HydrophobicContact CD1-CG2 4.32Å; L122-V125 HydrophobicContact CD2-CG2 3.86Å; L122-V125 HydrophobicContact CG-CG2 4.44Å; L122-L134 HydrophobicContact CD1-CB 4.12Å; L122-M136 HydrophobicContact CD1-CG 4.33Å; L122-Y358 HydrophobicContact CB-CD1 4.33Å; L122-Y358 HydrophobicContact CB-CE1 4.04Å; L122-Y358 HydrophobicContact CD2-CD1 3.81Å; L122-Y358 HydrophobicContact CD2-CE1 4.01Å; L122-Y358 HydrophobicContact CD2-CG 4.36Å; L122-Y358 HydrophobicContact CG-CD1 3.88Å; L122-Y358 HydrophobicContact CG-CE1 4.08Å
123	F	97.1	Very high	95.9	Very high	3 Å²	3	40.4 Å²	40.4	1%	0.013	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	-45.1	174.3	-54.2	-42.4	0	0	0	112.2	V86 K121 V135 M136 E137 Y358 A363 I366 L367 R370	V86-F123 HydrophobicContact CG1-CD2 3.89Å; V86-F123 HydrophobicContact CG1-CE2 3.95Å; K121-F123 HydrophobicContact CB-CE1 4.25Å; K121-F123 HydrophobicContact CG-CD1 4.49Å; K121-F123 HydrophobicContact CG-CE1 4.18Å; F123-V135 HydrophobicContact CB-CG1 4.49Å; F123-V135 HydrophobicContact CD2-CG1 4.4Å; F123-V135 PolarHBondContact N-O 2.92Å; F123-M136 VanDerWaalsContact CE2-C 3.42Å; F123-E137 HydrophobicContact CE2-CB 4.27Å; F123-E137 HydrophobicContact CZ-CB 3.87Å; F123-Y358 WeakPolarHBondContact O-CD1 3.47Å; F123-A363 HydrophobicContact CB-CB 4.34Å; F123-A363 WeakPolarHBondContact O-CB 3.31Å; F123-I366 HydrophobicContact CD1-CB 4.45Å; F123-I366 HydrophobicContact CD1-CG2 3.6Å; F123-I366 HydrophobicContact CE1-CG2 3.85Å; F123-L367 HydrophobicContact CD2-CD2 3.67Å; F123-L367 HydrophobicContact CD2-CG 4.38Å; F123-L367 HydrophobicContact CE2-CD2 3.67Å; F123-L367 HydrophobicContact CG-CD2 4.12Å; F123-L367 HydrophobicContact CG-CG 4.44Å; F123-L367 HydrophobicContact CZ-CD2 4.15Å; F123-R370 VanDerWaalsContact CZ-NE 3.34Å
124	E	97.9	Very high	96.1	Very high	9 Å²	9	36.8 Å²	36.8	4%	0.042	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	151.9	-174	-152.2	175.1	121.2	0	0	111.6	Y60 I126 V135 Y358 E360 A363	Y60-E124 VanDerWaalsContact CE2-OE2 3.27Å; Y60-E124 WeakPolarHBondContact CE2-OE2 3.31Å; Y60-E124 PolarHBondContact OH-OE2 2.7Å; E124-I126 HydrophobicContact CG-CG1 4.25Å; E124-I126 VanDerWaalsContact OE1-CD1 3.3Å; E124-I126 WeakPolarHBondContact OE1-CD1 3.41Å; E124-I126 WeakPolarHBondContact OE1-CG1 3.32Å; E124-V135 HydrophobicContact CB-CB 3.84Å; E124-V135 HydrophobicContact CB-CG2 3.9Å; E124-V135 PolarHBondContact N-O 3.21Å; E124-V135 PolarHBondContact O-N 2.92Å; E124-Y358 WeakPolarHBondContact CA-O 3.33Å; E124-Y358 WeakPolarHBondContact CG-O 3.49Å; E124-E360 WeakPolarHBondContact OE2-CA 3.49Å; E124-A363 HydrophobicContact CB-CB 3.76Å; E124-A363 HydrophobicContact CG-CB 3.93Å; E124-A363 WeakPolarHBondContact OE2-CB 3.46Å
125	V	97.6	Very high	96.2	Very high	36 Å²	36	36.5 Å²	36.5	22%	0.218	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	104.4	171.9	-177.4	0	0	0	0	108.7	V108 L122 L132 L134 Y358	V108-V125 HydrophobicContact CG1-CG1 4.44Å; V108-V125 HydrophobicContact CG1-CG2 3.97Å; L122-V125 HydrophobicContact CD1-CG2 4.32Å; L122-V125 HydrophobicContact CD2-CG2 3.86Å; L122-V125 HydrophobicContact CG-CG2 4.44Å; V125-L132 HydrophobicContact CG1-CD1 3.81Å; V125-L134 HydrophobicContact CG1-CD2 4Å; V125-L134 HydrophobicContact CG2-CD2 4.16Å; V125-Y358 PolarHBondContact N-O 3.34Å
126	I	96.9	Very high	96.3	Very high	28 Å²	28	35.6 Å²	35.6	14%	0.144	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	122	175.7	-49.8	169.7	0	0	0	108	I57 Y60 E124 Y133	I57-I126 HydrophobicContact CD1-CG2 4.23Å; I57-I126 HydrophobicContact CG1-CD1 4.04Å; I57-I126 HydrophobicContact CG1-CG2 4.35Å; Y60-I126 HydrophobicContact CD2-CD1 4.1Å; Y60-I126 HydrophobicContact CE2-CD1 4.25Å; E124-I126 HydrophobicContact CG-CG1 4.25Å; E124-I126 VanDerWaalsContact OE1-CD1 3.3Å; E124-I126 WeakPolarHBondContact OE1-CD1 3.41Å; E124-I126 WeakPolarHBondContact OE1-CG1 3.32Å; I126-Y133 HydrophobicContact CB-CD2 4.47Å; I126-Y133 PolarHBondContact N-O 3.06Å; I126-Y133 PolarHBondContact O-N 2.69Å
127	E	94.7	Very high	96.2	Very high	100 Å²	100	36 Å²	36	47%	0.467	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	132.7	177.9	-172.7	162.4	-168.6	0	0	111.2	K93 L132	K93-E127 IonicContact NZ-OE1 3.36Å; K93-E127 PolarHBondContact NZ-OE1 2.9Å; E127-L132 HydrophobicContact CB-CD1 3.64Å; E127-L132 HydrophobicContact CG-CD1 3.85Å
128	T	93.9	Very high	96.1	Very high	56 Å²	56	35 Å²	35	34%	0.344	17%	0.168	S	C	.	.			trans	-114.6	174.8	166	74.3	0	0	0	0	109.2	K93 K130 T131 Y133	K93-T128 WeakPolarHBondContact CE-O 3.4Å; K93-T128 PolarHBondContact NZ-O 3.35Å; T128-K130 PolarHBondContact O-N 2.98Å; T128-T131 PolarHBondContact N-O 3.43Å; T128-T131 PolarHBondContact OG1-N 3.34Å; T128-T131 VanDerWaalsContact OG1-N 3.09Å; T128-T131 PolarHBondContact OG1-O 2.85Å; T128-Y133 HydrophobicContact CG2-CE2 4.12Å
129	E	92.1	Very high	95.9	Very high	159 Å²	159	34.9 Å²	34.9	74%	0.743	17%	0.169	S	C	*	.	S	Bend	trans	-49.9	-45	175.4	-176.1	-167.7	-152.8	0	0	112.3	K93	K93-E129 WeakPolarHBondContact CE-O 3.42Å; K93-E129 PolarHBondContact NZ-O 2.71Å
130	K	92.8	Very high	95.5	Very high	118 Å²	118	36.9 Å²	36.9	51%	0.513	18%	0.183	S	C	.	.	S	Bend	trans	-107.7	-16.7	-168.8	-60.7	-179.9	-170.4	174.4	0	114.4	K93 T94 T128	K93-K130 WeakPolarHBondContact CB-O 3.32Å; K93-K130 PolarHBondContact N-O 3.08Å; T94-K130 HydrophobicContact CG2-CB 3.89Å; T94-K130 HydrophobicContact CG2-CD 4.36Å; T94-K130 HydrophobicContact CG2-CG 3.94Å; T128-K130 PolarHBondContact O-N 2.98Å
131	T	93.9	Very high	95	Very high	27 Å²	27	36.6 Å²	36.6	17%	0.166	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	142.8	-171.1	-44.6	0	0	0	0	111.3	I90 I91 T128 Y133	I90-T131 HydrophobicContact CG2-CG2 3.65Å; I91-T131 CarbonylContact O-C 3.2Å; I91-T131 WeakPolarHBondContact O-CA 3.44Å; I91-T131 WeakPolarHBondContact O-CG2 3.44Å; T128-T131 PolarHBondContact N-O 3.43Å; T128-T131 PolarHBondContact OG1-N 3.34Å; T128-T131 VanDerWaalsContact OG1-N 3.09Å; T128-T131 PolarHBondContact OG1-O 2.85Å; T131-Y133 HydrophobicContact CG2-CD2 4.05Å; T131-Y133 HydrophobicContact CG2-CE1 4.2Å; T131-Y133 HydrophobicContact CG2-CE2 3.49Å; T131-Y133 VanDerWaalsContact CG2-CE2 3.49Å
132	L	95.3	Very high	94.5	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	136.1	167	-168.7	68.3	0	0	0	109.5	I91 K93 L104 V108 V125 E127 L134	I91-L132 PolarHBondContact N-O 2.91Å; I91-L132 PolarHBondContact O-N 3.18Å; K93-L132 HydrophobicContact CG-CB 4.44Å; L104-L132 HydrophobicContact CD1-CD2 4.02Å; L104-L132 HydrophobicContact CD2-CB 4.46Å; L104-L132 HydrophobicContact CD2-CD2 3.71Å; L104-L132 HydrophobicContact CG-CD2 3.81Å; V108-L132 HydrophobicContact CG2-CD2 4.04Å; V125-L132 HydrophobicContact CG1-CD1 3.81Å; E127-L132 HydrophobicContact CB-CD1 3.64Å; E127-L132 HydrophobicContact CG-CD1 3.85Å; L132-L134 HydrophobicContact CD2-CD2 3.93Å; L132-L134 HydrophobicContact CG-CD2 4.01Å
133	Y	96.8	Very high	94.1	Very high	39 Å²	39	35.5 Å²	35.5	15%	0.153	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	117.5	177.8	-56.3	-104.9	0	0	0	108.8	I57 V88 I90 I126 T128 T131	I57-Y133 HydrophobicContact CB-CE1 4.35Å; I57-Y133 HydrophobicContact CD1-CD2 4.27Å; I57-Y133 HydrophobicContact CD1-CE1 4.38Å; I57-Y133 HydrophobicContact CD1-CE2 3.89Å; I57-Y133 HydrophobicContact CG1-CD1 3.92Å; I57-Y133 HydrophobicContact CG1-CD2 4.1Å; I57-Y133 HydrophobicContact CG1-CE1 3.9Å; I57-Y133 HydrophobicContact CG1-CE2 4.08Å; I57-Y133 HydrophobicContact CG1-CG 4.04Å; I57-Y133 HydrophobicContact CG2-CD1 4.2Å; I57-Y133 HydrophobicContact CG2-CE1 4.37Å; V88-Y133 HydrophobicContact CG1-CD1 4.03Å; I90-Y133 HydrophobicContact CB-CD1 4.36Å; I90-Y133 HydrophobicContact CB-CE1 4.46Å; I90-Y133 HydrophobicContact CD1-CD1 4.47Å; I90-Y133 HydrophobicContact CD1-CE1 4.29Å; I90-Y133 HydrophobicContact CG1-CD1 3.88Å; I90-Y133 HydrophobicContact CG1-CE1 4.09Å; I90-Y133 HydrophobicContact CG2-CD1 4.03Å; I90-Y133 HydrophobicContact CG2-CE1 3.73Å; I126-Y133 HydrophobicContact CB-CD2 4.47Å; I126-Y133 PolarHBondContact N-O 3.06Å; I126-Y133 PolarHBondContact O-N 2.69Å; T128-Y133 HydrophobicContact CG2-CE2 4.12Å; T131-Y133 HydrophobicContact CG2-CD2 4.05Å; T131-Y133 HydrophobicContact CG2-CE1 4.2Å; T131-Y133 HydrophobicContact CG2-CE2 3.49Å; T131-Y133 VanDerWaalsContact CG2-CE2 3.49Å
134	L	97.1	Very high	93.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	116.1	173.4	-49.9	-177.1	0	0	0	108.4	V88 K89 I91 V108 M111 L122 V125 L132 M136	V88-L134 CarbonylContact C-O 3.35Å; V88-L134 WeakPolarHBondContact CA-O 3.48Å; K89-L134 HydrophobicContact CB-CB 4.34Å; K89-L134 PolarHBondContact N-O 3.13Å; K89-L134 PolarHBondContact O-N 2.95Å; I91-L134 HydrophobicContact CD1-CD1 4.13Å; I91-L134 HydrophobicContact CD1-CG 4.38Å; V108-L134 HydrophobicContact CG2-CD1 4.14Å; V108-L134 HydrophobicContact CG2-CD2 3.66Å; M111-L134 HydrophobicContact SD-CD1 4.37Å; L122-L134 HydrophobicContact CD1-CB 4.12Å; V125-L134 HydrophobicContact CG1-CD2 4Å; V125-L134 HydrophobicContact CG2-CD2 4.16Å; L132-L134 HydrophobicContact CD2-CD2 3.93Å; L132-L134 HydrophobicContact CG-CD2 4.01Å; L134-M136 HydrophobicContact CB-CG 4.34Å; L134-M136 HydrophobicContact CB-SD 4.45Å
135	V	98	Very high	92.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	123.1	178.7	-173.2	0	0	0	0	109.1	Y60 V86 V88 F123 E124	Y60-V135 HydrophobicContact CD1-CG1 4.23Å; Y60-V135 HydrophobicContact CD2-CG2 4.14Å; Y60-V135 HydrophobicContact CE1-CG1 3.65Å; Y60-V135 HydrophobicContact CE2-CG1 4.23Å; Y60-V135 HydrophobicContact CE2-CG2 3.83Å; V86-V135 HydrophobicContact CB-CG1 3.83Å; V86-V135 HydrophobicContact CG1-CG1 4.18Å; V86-V135 HydrophobicContact CG2-CG1 3.68Å; V88-V135 HydrophobicContact CG2-CG1 4.48Å; V88-V135 HydrophobicContact CG2-CG2 4.35Å; F123-V135 HydrophobicContact CB-CG1 4.49Å; F123-V135 HydrophobicContact CD2-CG1 4.4Å; F123-V135 PolarHBondContact N-O 2.92Å; E124-V135 HydrophobicContact CB-CB 3.84Å; E124-V135 HydrophobicContact CB-CG2 3.9Å; E124-V135 PolarHBondContact N-O 3.21Å; E124-V135 PolarHBondContact O-N 2.92Å
136	M	97.4	Very high	91.8	Very high	19 Å²	19	34.5 Å²	34.5	9%	0.094	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	166.1	-164.4	-49.4	179	-58.4	0	0	112.5	V86 A87 K89 M111 V120 K121 L122 F123 L134 Y138	V86-M136 WeakPolarHBondContact CA-O 3.49Å; V86-M136 WeakPolarHBondContact CB-O 3.48Å; A87-M136 HydrophobicContact CB-CE 4.26Å; A87-M136 PolarHBondContact N-O 3.41Å; A87-M136 WeakPolarHBondContact O-CB 3.28Å; A87-M136 PolarHBondContact O-N 3.23Å; K89-M136 HydrophobicContact CB-CE 3.67Å; K89-M136 HydrophobicContact CB-SD 4.27Å; M111-M136 HydrophobicContact CE-CG 3.98Å; M111-M136 HydrophobicContact CE-SD 3.6Å; V120-M136 HydrophobicContact CG1-CB 3.76Å; V120-M136 HydrophobicContact CG1-SD 4.37Å; K121-M136 CarbonylContact O-C 3.52Å; K121-M136 WeakPolarHBondContact O-CA 3.25Å; L122-M136 HydrophobicContact CD1-CG 4.33Å; F123-M136 VanDerWaalsContact CE2-C 3.42Å; L134-M136 HydrophobicContact CB-CG 4.34Å; L134-M136 HydrophobicContact CB-SD 4.45Å; M136-Y138 PolarHBondContact O-N 3.09Å
137	E	96.4	Very high	91	Very high	19 Å²	19	34.2 Å²	34.2	9%	0.089	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	128.3	169.5	177.5	165	-163.3	0	0	112.7	V120 K121 F123 K197 R370	V120-E137 HydrophobicContact CG1-CB 4.24Å; K121-E137 PolarHBondContact N-OE2 2.8Å; K121-E137 PolarHBondContact O-N 3.25Å; F123-E137 HydrophobicContact CE2-CB 4.27Å; F123-E137 HydrophobicContact CZ-CB 3.87Å; E137-K197 WeakPolarHBondContact OE1-CE 3.21Å; E137-K197 IonicContact OE1-NZ 2.7Å; E137-K197 PolarHBondContact OE1-NZ 3.01Å; E137-K197 IonicContact OE2-NZ 3.65Å; E137-R370 IonicContact OE1-CZ 2.88Å; E137-R370 IonicContact OE1-NH1 3.75Å; E137-R370 PolarHBondContact OE1-NH1 3.21Å; E137-R370 IonicContact OE1-NH2 3.81Å; E137-R370 IonicContact OE2-CZ 2.62Å; E137-R370 IonicContact OE2-NH1 2.83Å; E137-R370 PolarHBondContact OE2-NH1 3.21Å; E137-R370 IonicContact OE2-NH2 3.04Å; E137-R370 PolarHBondContact OE2-NH2 3.12Å
138	Y	95.3	Very high	90.4	Very high	43 Å²	43	29.6 Å²	29.6	17%	0.169	15%	0.149	C	C	.	.			trans	-86.6	119	175.9	175.6	-136.4	0	0	0	111.7	I66 L76 E85 M136	I66-Y138 HydrophobicContact CD1-CD2 3.79Å; I66-Y138 HydrophobicContact CD1-CE2 3.74Å; L76-Y138 HydrophobicContact CD1-CD1 3.51Å; L76-Y138 HydrophobicContact CD1-CD2 4.14Å; L76-Y138 HydrophobicContact CD1-CE1 3.53Å; L76-Y138 HydrophobicContact CD1-CE2 4.18Å; L76-Y138 HydrophobicContact CD1-CG 3.83Å; L76-Y138 HydrophobicContact CD2-CE1 4.42Å; E85-Y138 HydrophobicContact CB-CD1 4.01Å; M136-Y138 PolarHBondContact O-N 3.09Å
139	A	93.4	Very high	89.6	Confident	12 Å²	12	28.1 Å²	28.1	10%	0.099	14%	0.14	C	C	.	.			trans	-94	103.5	171.1	0	0	0	0	0	110	L189 L190 K197	A139-L189 HydrophobicContact CB-CB 3.55Å; A139-L189 HydrophobicContact CB-CD1 3.95Å; A139-L189 HydrophobicContact CB-CG 4.41Å; A139-L190 CarbonylContact C-O 3.53Å; A139-L190 WeakPolarHBondContact CB-O 3.44Å; A139-K197 HydrophobicContact CB-CB 4.19Å; A139-K197 HydrophobicContact CB-CG 4.22Å
140	S	89.9	Confident	88.9	Confident	44 Å²	44	22.2 Å²	22.2	31%	0.308	12%	0.119	S	C	.	.			trans	-86	-16.2	-169.2	56.7	0	0	0	0	115.5	G142 L190 G192 R756	S140-G142 VanDerWaalsContact C-N 3.33Å; S140-G142 PolarHBondContact O-N 2.72Å; S140-L190 PolarHBondContact N-O 2.62Å; S140-G192 PolarHBondContact OG-N 3.36Å; S140-R756 PolarHBondContact O-NH2 3.07Å
141	G	84.7	Confident	88.3	Confident	5 Å²	5	20.8 Å²	20.8	5%	0.052	11%	0.114	C	C	.	.	S	Bend	trans	-71.1	-23.6	-177.6	0	0	0	0	0	114.2	L190	G141-L190 VanDerWaalsContact CA-O 3.28Å; G141-L190 WeakPolarHBondContact CA-O 3.43Å; G141-L190 PolarHBondContact N-O 2.82Å
142	G	86.6	Confident	87.8	Confident	7 Å²	7	20.9 Å²	20.9	7%	0.072	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	102.9	-158.4	-174.2	0	0	0	0	0	111.9	S140 L189 L190	S140-G142 VanDerWaalsContact C-N 3.33Å; S140-G142 PolarHBondContact O-N 2.72Å; G142-L189 CarbonylContact O-C 3.5Å; G142-L189 WeakPolarHBondContact O-CA 3.4Å; G142-L190 PolarHBondContact O-N 2.8Å
143	E	88	Confident	87.6	Confident	20 Å²	20	25.5 Å²	25.5	9%	0.093	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	149.8	177.6	-72	164.7	-143.6	0	0	111.6	F145 D146 Y147 L189 R759 S764	E143-F145 HydrophobicContact CB-CB 4.28Å; E143-F145 PolarHBondContact O-N 2.95Å; E143-D146 PolarHBondContact N-OD2 2.9Å; E143-D146 WeakPolarHBondContact O-CB 3.31Å; E143-D146 PolarHBondContact O-N 3.19Å; E143-Y147 PolarHBondContact O-N 3.04Å; E143-L189 HydrophobicContact CG-CD2 3.74Å; E143-R759 IonicContact OE1-CZ 3.96Å; E143-R759 VanDerWaalsContact OE1-CZ 3.29Å; E143-R759 IonicContact OE1-NE 3.76Å; E143-R759 PolarHBondContact OE1-NE 2.78Å; E143-R759 IonicContact OE1-NH2 3.85Å; E143-R759 PolarHBondContact OE1-NH2 3.32Å; E143-R759 IonicContact OE2-CZ 2.82Å; E143-R759 IonicContact OE2-NE 2.73Å; E143-R759 PolarHBondContact OE2-NE 3.37Å; E143-R759 IonicContact OE2-NH2 3.01Å; E143-R759 PolarHBondContact OE2-NH2 3.17Å; E143-S764 PolarHBondContact OE2-OG 3.2Å
144	V	87.1	Confident	87.4	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.006	13%	0.131	C	C	.	.	H	α-helix	trans	-57.2	-29.5	166.2	172.6	0	0	0	0	110.8	Y147 M154 L188 L190 I196 L250	V144-Y147 WeakPolarHBondContact O-CB 3.24Å; V144-M154 HydrophobicContact CG1-CE 4.21Å; V144-L188 HydrophobicContact CB-CB 3.97Å; V144-L188 HydrophobicContact CG2-CB 3.74Å; V144-L188 WeakPolarHBondContact CG2-O 3.46Å; V144-L188 PolarHBondContact N-O 2.87Å; V144-L190 HydrophobicContact CG2-CD1 4.21Å; V144-L190 HydrophobicContact CG2-CD2 3.88Å; V144-L190 HydrophobicContact CG2-CG 3.83Å; V144-I196 HydrophobicContact CG2-CD1 3.34Å; V144-L250 HydrophobicContact CG1-CD2 3.44Å; V144-L250 VanDerWaalsContact CG1-CD2 3.44Å
145	F	79.1	Confident	87.3	Confident	15 Å²	15	31.6 Å²	31.6	7%	0.066	17%	0.165	C	C	.	.	H	α-helix	trans	-67.7	-38.7	172.9	-166.6	-87.6	0	0	0	113.2	E143 Y147 L148 V149 A185 S764 K768	E143-F145 HydrophobicContact CB-CB 4.28Å; E143-F145 PolarHBondContact O-N 2.95Å; F145-Y147 PolarHBondContact O-N 2.86Å; F145-L148 WeakPolarHBondContact O-CA 3.35Å; F145-L148 WeakPolarHBondContact O-CB 3.39Å; F145-L148 PolarHBondContact O-N 3.48Å; F145-V149 HydrophobicContact CD1-CG2 3.87Å; F145-V149 HydrophobicContact CE1-CG2 3.61Å; F145-V149 PolarHBondContact O-N 2.89Å; F145-V149 VanDerWaalsContact O-N 3.11Å; F145-A185 HydrophobicContact CB-CB 3.91Å; F145-A185 HydrophobicContact CD2-CB 3.8Å; F145-A185 HydrophobicContact CG-CB 4.31Å; F145-S764 VanDerWaalsContact CD1-CB 3.44Å; F145-S764 VanDerWaalsContact CD1-OG 3.25Å; F145-S764 WeakPolarHBondContact CD1-OG 3.48Å; F145-S764 WeakPolarHBondContact CE1-O 3.35Å; F145-S764 VanDerWaalsContact CZ-O 3.29Å; F145-S764 WeakPolarHBondContact CZ-O 3.5Å; F145-K768 HydrophobicContact CE1-CB 3.73Å; F145-K768 HydrophobicContact CE1-CD 4.43Å; F145-K768 HydrophobicContact CZ-CB 3.79Å; F145-K768 HydrophobicContact CZ-CD 3.9Å; F145-K768 HydrophobicContact CZ-CG 4.43Å
146	D	78.8	Confident	87.2	Confident	10 Å²	10	33.1 Å²	33.1	5%	0.053	17%	0.172	C	C	.	.	H	α-helix	trans	-57.6	-38.1	176.4	-64.1	-33.6	0	0	0	111.3	E143 L148 V149 A150 F767	E143-D146 PolarHBondContact N-OD2 2.9Å; E143-D146 WeakPolarHBondContact O-CB 3.31Å; E143-D146 PolarHBondContact O-N 3.19Å; D146-L148 VanDerWaalsContact C-N 3.33Å; D146-L148 PolarHBondContact O-N 3.15Å; D146-V149 PolarHBondContact O-N 2.91Å; D146-A150 PolarHBondContact O-N 2.83Å; D146-A150 VanDerWaalsContact O-N 3.1Å; D146-F767 WeakPolarHBondContact OD1-CE1 3.18Å
147	Y	80.2	Confident	87.2	Confident	23 Å²	23	40.2 Å²	40.2	9%	0.09	20%	0.202	C	C	.	.	H	α-helix	trans	-55	-49.4	172.1	-174	-66	0	0	0	110.8	E143 V144 F145 V149 A150 H151 M154 E158 M194 T688	E143-Y147 PolarHBondContact O-N 3.04Å; V144-Y147 WeakPolarHBondContact O-CB 3.24Å; F145-Y147 PolarHBondContact O-N 2.86Å; Y147-V149 VanDerWaalsContact C-N 3.26Å; Y147-V149 PolarHBondContact O-N 2.99Å; Y147-A150 PolarHBondContact O-N 2.94Å; Y147-A150 VanDerWaalsContact O-N 3.16Å; Y147-H151 HydrophobicContact CD1-CB 3.91Å; Y147-H151 HydrophobicContact CE1-CB 3.47Å; Y147-H151 VanDerWaalsContact CE1-CB 3.47Å; Y147-H151 AromaticContact CE1-CG 3.67Å; Y147-H151 AromaticContact CZ-CG 3.88Å; Y147-H151 WeakPolarHBondContact O-CB 3.46Å; Y147-H151 PolarHBondContact O-N 2.72Å; Y147-M154 HydrophobicContact CD1-CE 3.51Å; Y147-M154 HydrophobicContact CD1-CG 4Å; Y147-M154 HydrophobicContact CD2-CE 4.05Å; Y147-M154 HydrophobicContact CE1-CE 3.98Å; Y147-M154 HydrophobicContact CE1-CG 3.72Å; Y147-M154 HydrophobicContact CE2-CE 4.43Å; Y147-M154 HydrophobicContact CG-CE 3.61Å; Y147-E158 WeakPolarHBondContact CE2-OE1 3.14Å; Y147-E158 VanDerWaalsContact CZ-OE1 3.28Å; Y147-E158 PolarHBondContact OH-OE1 2.87Å; Y147-E158 PolarHBondContact OH-OE2 2.8Å; Y147-M194 HydrophobicContact CD2-CE 3.9Å; Y147-M194 HydrophobicContact CE2-CE 4.39Å; Y147-T688 HydrophobicContact CD2-CG2 3.42Å; Y147-T688 VanDerWaalsContact CD2-CG2 3.42Å; Y147-T688 HydrophobicContact CE2-CG2 4.12Å; Y147-T688 HydrophobicContact CG-CG2 4.03Å
148	L	82.4	Confident	87.1	Confident	3 Å²	3	42.5 Å²	42.5	2%	0.016	21%	0.213	C	C	.	.	H	α-helix	trans	-67.5	-24.1	-177	-60.4	177.5	0	0	0	113.2	F145 D146 G152 M154 T249 L250	F145-L148 WeakPolarHBondContact O-CA 3.35Å; F145-L148 WeakPolarHBondContact O-CB 3.39Å; F145-L148 PolarHBondContact O-N 3.48Å; D146-L148 VanDerWaalsContact C-N 3.33Å; D146-L148 PolarHBondContact O-N 3.15Å; L148-G152 WeakPolarHBondContact CA-O 3.41Å; L148-G152 WeakPolarHBondContact CD2-O 3.43Å; L148-G152 WeakPolarHBondContact O-CA 3.4Å; L148-G152 PolarHBondContact O-N 2.84Å; L148-G152 VanDerWaalsContact O-N 3.13Å; L148-M154 HydrophobicContact CD2-CE 4.38Å; L148-M154 HydrophobicContact CD2-CG 4.03Å; L148-T249 HydrophobicContact CD1-CG2 3.99Å; L148-L250 HydrophobicContact CD1-CD2 4.34Å
149	V	75.9	Confident	87.1	Confident	25 Å²	25	40.5 Å²	40.5	15%	0.152	21%	0.205	C	C	.	.	H	α-helix	trans	-70.5	-50.4	169.5	-175.8	0	0	0	0	110.1	F145 D146 Y147 F767 K768 A771	F145-V149 HydrophobicContact CD1-CG2 3.87Å; F145-V149 HydrophobicContact CE1-CG2 3.61Å; F145-V149 PolarHBondContact O-N 2.89Å; F145-V149 VanDerWaalsContact O-N 3.11Å; D146-V149 PolarHBondContact O-N 2.91Å; Y147-V149 VanDerWaalsContact C-N 3.26Å; Y147-V149 PolarHBondContact O-N 2.99Å; V149-F767 HydrophobicContact CG2-CD1 4.27Å; V149-F767 HydrophobicContact CG2-CE1 4.22Å; V149-K768 HydrophobicContact CG2-CB 3.9Å; V149-K768 HydrophobicContact CG2-CG 4.01Å; V149-A771 HydrophobicContact CG1-CB 3.98Å
150	A	78.1	Confident	87.3	Confident	35 Å²	35	40.9 Å²	40.9	29%	0.289	20%	0.204	S	C	.	.	H	α-helix	trans	-72.5	-33.2	-174.6	0	0	0	0	0	114.5	D146 Y147 S690	D146-A150 PolarHBondContact O-N 2.83Å; D146-A150 VanDerWaalsContact O-N 3.1Å; Y147-A150 PolarHBondContact O-N 2.94Å; Y147-A150 VanDerWaalsContact O-N 3.16Å; A150-S690 WeakPolarHBondContact O-CB 3.38Å
151	H	80.1	Confident	87.6	Confident	88 Å²	88	40.9 Å²	40.9	41%	0.407	21%	0.206	S	C	.	.	H	α-helix	trans	-113.8	-13.5	-172.2	-67	66.5	0	0	0	113.9	Y147 W689	Y147-H151 HydrophobicContact CD1-CB 3.91Å; Y147-H151 HydrophobicContact CE1-CB 3.47Å; Y147-H151 VanDerWaalsContact CE1-CB 3.47Å; Y147-H151 AromaticContact CE1-CG 3.67Å; Y147-H151 AromaticContact CZ-CG 3.88Å; Y147-H151 WeakPolarHBondContact O-CB 3.46Å; Y147-H151 PolarHBondContact O-N 2.72Å; H151-W689 PolarHBondContact CE1-O 3.19Å; H151-W689 PolarHBondContact NE2-O 3.32Å
152	G	83.9	Confident	88.1	Confident	29 Å²	29	42.1 Å²	42.1	30%	0.299	21%	0.21	S	C	.	.			trans	70.8	-149	-162.7	0	0	0	0	0	111.4	L148	L148-G152 WeakPolarHBondContact CA-O 3.41Å; L148-G152 WeakPolarHBondContact CD2-O 3.43Å; L148-G152 WeakPolarHBondContact O-CA 3.4Å; L148-G152 PolarHBondContact O-N 2.84Å; L148-G152 VanDerWaalsContact O-N 3.13Å
153	R	90.1	Very high	88.6	Confident	99 Å²	99	41.8 Å²	41.8	37%	0.374	21%	0.207	S	C	.	.	S	Bend	trans	-66.4	141	-176.8	76.1	-168.8	-169.8	80.1	-1	112.7	V251 S252 Y279	R153-V251 WeakPolarHBondContact CD-O 3.38Å; R153-V251 PolarHBondContact NH1-O 3.2Å; R153-S252 VanDerWaalsContact CB-C 3.43Å; R153-Y279 WeakPolarHBondContact CD-OH 3.46Å; R153-Y279 VanDerWaalsContact NH1-CE2 3.34Å
154	M	92.8	Very high	89.1	Confident	3 Å²	3	41.8 Å²	41.8	2%	0.015	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-69.8	153.4	171.3	-68.7	179.4	-179	0	0	111.3	V144 Y147 L148 A159 K162 L250	V144-M154 HydrophobicContact CG1-CE 4.21Å; Y147-M154 HydrophobicContact CD1-CE 3.51Å; Y147-M154 HydrophobicContact CD1-CG 4Å; Y147-M154 HydrophobicContact CD2-CE 4.05Å; Y147-M154 HydrophobicContact CE1-CE 3.98Å; Y147-M154 HydrophobicContact CE1-CG 3.72Å; Y147-M154 HydrophobicContact CE2-CE 4.43Å; Y147-M154 HydrophobicContact CG-CE 3.61Å; L148-M154 HydrophobicContact CD2-CE 4.38Å; L148-M154 HydrophobicContact CD2-CG 4.03Å; M154-A159 HydrophobicContact CB-CB 4.04Å; M154-K162 HydrophobicContact SD-CG 4.46Å; M154-L250 HydrophobicContact CE-CD2 4.11Å; M154-L250 PolarHBondContact N-O 2.93Å; M154-L250 HydrophobicContact SD-CB 4.4Å; M154-L250 HydrophobicContact SD-CD2 3.87Å
155	K	94.8	Very high	89.6	Confident	164 Å²	164	43.7 Å²	43.7	71%	0.713	22%	0.218	S	C	*	.	P	Polyproline II helix	trans	-75.8	145.1	165.8	-67	175.2	-177.4	171.8	0	109	K157 E158 A159	K155-K157 VanDerWaalsContact C-N 3.26Å; K155-K157 PolarHBondContact O-N 2.96Å; K155-K157 VanDerWaalsContact O-N 3.11Å; K155-E158 WeakPolarHBondContact O-CA 3.45Å; K155-E158 WeakPolarHBondContact O-CB 3.18Å; K155-E158 PolarHBondContact O-N 2.76Å; K155-A159 PolarHBondContact O-N 2.91Å
156	E	97	Very high	90.6	Very high	32 Å²	32	43 Å²	43	15%	0.15	22%	0.215	C	C	.	.	H	α-helix	trans	-55.8	-35.4	-173.6	-71.1	-174.5	-155.7	0	0	114.4	E158 A159 R160 V251 M280 S281 W310	E156-E158 VanDerWaalsContact C-N 3.3Å; E156-E158 PolarHBondContact O-N 2.89Å; E156-A159 PolarHBondContact O-N 3.22Å; E156-R160 WeakPolarHBondContact O-CB 3.27Å; E156-R160 PolarHBondContact O-N 2.82Å; E156-V251 HydrophobicContact CG-CG1 4.17Å; E156-M280 WeakPolarHBondContact OE1-CA 3.3Å; E156-S281 PolarHBondContact OE1-N 3.44Å; E156-S281 PolarHBondContact OE1-OG 3.01Å; E156-S281 WeakPolarHBondContact OE2-CB 3.44Å; E156-S281 PolarHBondContact OE2-OG 2.78Å; E156-W310 HydrophobicContact CB-CZ2 3.89Å; E156-W310 HydrophobicContact CG-CZ2 4.17Å; E156-W310 PolarHBondContact OE2-NE1 2.86Å
157	K	96.1	Very high	91.5	Very high	168 Å²	168	42.5 Å²	42.5	73%	0.73	21%	0.212	S	C	*	.	H	α-helix	trans	-61.6	-35.8	174.6	-179.3	170.9	-178.8	169.8	0	113.1	K155 A161	K155-K157 VanDerWaalsContact C-N 3.26Å; K155-K157 PolarHBondContact O-N 2.96Å; K155-K157 VanDerWaalsContact O-N 3.11Å; K157-A161 PolarHBondContact O-N 2.95Å
158	E	93.9	Very high	92.4	Very high	67 Å²	67	42 Å²	42	31%	0.313	21%	0.212	S	C	.	.	H	α-helix	trans	-81.7	-43.1	179.1	-179.6	173.6	-156.3	0	0	111.1	Y147 K155 E156 R160 A161 K162	Y147-E158 WeakPolarHBondContact CE2-OE1 3.14Å; Y147-E158 VanDerWaalsContact CZ-OE1 3.28Å; Y147-E158 PolarHBondContact OH-OE1 2.87Å; Y147-E158 PolarHBondContact OH-OE2 2.8Å; K155-E158 WeakPolarHBondContact O-CA 3.45Å; K155-E158 WeakPolarHBondContact O-CB 3.18Å; K155-E158 PolarHBondContact O-N 2.76Å; E156-E158 VanDerWaalsContact C-N 3.3Å; E156-E158 PolarHBondContact O-N 2.89Å; E158-R160 VanDerWaalsContact C-N 3.27Å; E158-R160 PolarHBondContact O-N 3.49Å; E158-A161 PolarHBondContact O-N 2.92Å; E158-A161 VanDerWaalsContact O-N 3.17Å; E158-K162 PolarHBondContact O-N 2.94Å
159	A	96.1	Very high	93.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-56.2	-42.7	172.4	0	0	0	0	0	111.2	M154 K155 E156 K162 F163 L250 V251 W310	M154-A159 HydrophobicContact CB-CB 4.04Å; K155-A159 PolarHBondContact O-N 2.91Å; E156-A159 PolarHBondContact O-N 3.22Å; A159-K162 PolarHBondContact O-N 3.17Å; A159-F163 WeakPolarHBondContact O-CB 3.36Å; A159-F163 PolarHBondContact O-N 3.47Å; A159-L250 HydrophobicContact CB-CB 4.16Å; A159-V251 HydrophobicContact CB-CG1 3.66Å; A159-W310 HydrophobicContact CB-CH2 4.24Å
160	R	97.3	Very high	94.2	Very high	21 Å²	21	40.9 Å²	40.9	8%	0.079	21%	0.206	C	C	.	.	H	α-helix	trans	-56.3	-51.7	173	177.2	-175.2	-59.5	131.1	17.2	112.1	E156 E158 K162 F163 S164 W310 M311 V313	E156-R160 WeakPolarHBondContact O-CB 3.27Å; E156-R160 PolarHBondContact O-N 2.82Å; E158-R160 VanDerWaalsContact C-N 3.27Å; E158-R160 PolarHBondContact O-N 3.49Å; R160-K162 PolarHBondContact O-N 2.99Å; R160-F163 PolarHBondContact O-N 2.89Å; R160-F163 VanDerWaalsContact O-N 3.07Å; R160-S164 PolarHBondContact O-N 2.88Å; R160-S164 PolarHBondContact O-OG 3.2Å; R160-S164 VanDerWaalsContact O-OG 3.13Å; R160-W310 HydrophobicContact CB-CH2 3.81Å; R160-W310 HydrophobicContact CB-CZ2 4.29Å; R160-W310 HydrophobicContact CB-CZ3 3.95Å; R160-W310 HydrophobicContact CG-CZ3 4.41Å; R160-W310 PolarHBondContact NE-O 3.34Å; R160-W310 PolarHBondContact NH2-O 2.81Å; R160-M311 WeakPolarHBondContact CD-O 3.4Å; R160-M311 WeakPolarHBondContact CG-O 3.42Å; R160-V313 PolarHBondContact NH1-O 3.13Å
161	A	95.7	Very high	95.1	Very high	44 Å²	44	39.4 Å²	39.4	36%	0.364	19%	0.193	S	C	.	.	H	α-helix	trans	-58.2	-33.3	-179.3	0	0	0	0	0	112.8	K157 E158	K157-A161 PolarHBondContact O-N 2.95Å; E158-A161 PolarHBondContact O-N 2.92Å; E158-A161 VanDerWaalsContact O-N 3.17Å
162	K	96.1	Very high	96	Very high	30 Å²	30	35.4 Å²	35.4	13%	0.13	17%	0.174	C	C	.	.	H	α-helix	trans	-77.9	-45.1	171.9	-54.7	-47.9	168.1	-162.8	0	112.1	M154 E158 A159 R160 S164 Q165 I166 M194 I196	M154-K162 HydrophobicContact SD-CG 4.46Å; E158-K162 PolarHBondContact O-N 2.94Å; A159-K162 PolarHBondContact O-N 3.17Å; R160-K162 PolarHBondContact O-N 2.99Å; K162-S164 VanDerWaalsContact C-N 3.35Å; K162-S164 PolarHBondContact O-N 3.4Å; K162-Q165 WeakPolarHBondContact O-CB 3.48Å; K162-Q165 PolarHBondContact O-N 2.87Å; K162-Q165 VanDerWaalsContact O-N 3.11Å; K162-I166 WeakPolarHBondContact O-CG1 3.29Å; K162-I166 PolarHBondContact O-N 3.15Å; K162-M194 WeakPolarHBondContact CE-O 3.46Å; K162-M194 PolarHBondContact NZ-O 3.22Å; K162-I196 HydrophobicContact CB-CD1 4.08Å; K162-I196 HydrophobicContact CB-CG1 4.07Å; K162-I196 HydrophobicContact CD-CD1 4.47Å; K162-I196 HydrophobicContact CD-CG1 4.29Å
163	F	97.9	Very high	96.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-67.9	-32	-175.3	-162.7	-113.6	0	0	0	112.8	A159 R160 I166 V167 L243 L247 L287 L291 W310 M311	A159-F163 WeakPolarHBondContact O-CB 3.36Å; A159-F163 PolarHBondContact O-N 3.47Å; R160-F163 PolarHBondContact O-N 2.89Å; R160-F163 VanDerWaalsContact O-N 3.07Å; F163-I166 HydrophobicContact CD2-CD1 4.27Å; F163-I166 PolarHBondContact O-N 3.44Å; F163-V167 HydrophobicContact CD1-CG2 3.95Å; F163-V167 HydrophobicContact CE1-CG2 3.65Å; F163-V167 HydrophobicContact CE2-CG2 4.35Å; F163-V167 HydrophobicContact CG-CG2 4.4Å; F163-V167 HydrophobicContact CZ-CG2 3.87Å; F163-V167 WeakPolarHBondContact O-CB 3.31Å; F163-V167 VanDerWaalsContact O-CG2 3.3Å; F163-V167 WeakPolarHBondContact O-CG2 3.48Å; F163-V167 PolarHBondContact O-N 3.37Å; F163-L243 HydrophobicContact CE2-CB 4.09Å; F163-L243 HydrophobicContact CE2-CD2 4.12Å; F163-L243 VanDerWaalsContact CE2-O 3.3Å; F163-L243 WeakPolarHBondContact CE2-O 3.29Å; F163-L243 HydrophobicContact CZ-CB 4.02Å; F163-L247 HydrophobicContact CD1-CD1 4.08Å; F163-L247 HydrophobicContact CD1-CD2 4.42Å; F163-L247 HydrophobicContact CD2-CB 4.18Å; F163-L247 HydrophobicContact CD2-CD1 4.46Å; F163-L247 HydrophobicContact CE1-CB 4.23Å; F163-L247 HydrophobicContact CE1-CD1 4.4Å; F163-L247 HydrophobicContact CE1-CD2 4Å; F163-L247 HydrophobicContact CE1-CG 4.44Å; F163-L247 HydrophobicContact CE2-CB 3.78Å; F163-L247 HydrophobicContact CG-CD1 4.13Å; F163-L247 HydrophobicContact CZ-CB 3.81Å; F163-L247 HydrophobicContact CZ-CD2 4.3Å; F163-L247 HydrophobicContact CZ-CG 4.5Å; F163-L287 HydrophobicContact CE1-CD2 4.32Å; F163-L291 HydrophobicContact CE1-CD1 4.21Å; F163-L291 HydrophobicContact CZ-CD1 3.94Å; F163-W310 HydrophobicContact CB-CZ3 4.42Å; F163-W310 HydrophobicContact CD1-CZ3 4.14Å; F163-M311 HydrophobicContact CD1-CE 3.9Å; F163-M311 HydrophobicContact CD1-SD 3.56Å; F163-M311 VanDerWaalsContact CD1-SD 3.56Å; F163-M311 HydrophobicContact CE1-CE 4.47Å; F163-M311 HydrophobicContact CE1-SD 4Å
164	S	97.8	Very high	97	Very high	21 Å²	21	30.7 Å²	30.7	15%	0.147	15%	0.149	C	C	.	.	H	α-helix	trans	-62.5	-40.8	169.3	-60	0	0	0	0	112.4	R160 K162 S168	R160-S164 PolarHBondContact O-N 2.88Å; R160-S164 PolarHBondContact O-OG 3.2Å; R160-S164 VanDerWaalsContact O-OG 3.13Å; K162-S164 VanDerWaalsContact C-N 3.35Å; K162-S164 PolarHBondContact O-N 3.4Å; S164-S168 VanDerWaalsContact O-CB 3.29Å; S164-S168 WeakPolarHBondContact O-CB 3.27Å; S164-S168 PolarHBondContact O-N 2.98Å
165	Q	98.2	Very high	97.2	Very high	40 Å²	40	35.3 Å²	35.3	19%	0.187	17%	0.171	C	C	.	.	H	α-helix	trans	-65.2	-40.1	173.8	-70.1	-178.9	-21.2	0	0	112	N118 K162 A169 N195 I196	N118-Q165 HydrophobicContact CB-CB 4.33Å; K162-Q165 WeakPolarHBondContact O-CB 3.48Å; K162-Q165 PolarHBondContact O-N 2.87Å; K162-Q165 VanDerWaalsContact O-N 3.11Å; Q165-A169 WeakPolarHBondContact O-CB 3.44Å; Q165-A169 PolarHBondContact O-N 3.12Å; Q165-A169 VanDerWaalsContact O-N 3.13Å; Q165-N195 PolarHBondContact NE2-OD1 3.49Å; Q165-I196 HydrophobicContact CB-CB 3.92Å; Q165-I196 HydrophobicContact CB-CG1 4.04Å
166	I	98.3	Very high	97.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.8	-50.4	176.4	-59.4	162.4	0	0	0	110.5	K162 F163 S168 A169 V170 L188 I196 I198 L243 I246	K162-I166 WeakPolarHBondContact O-CG1 3.29Å; K162-I166 PolarHBondContact O-N 3.15Å; F163-I166 HydrophobicContact CD2-CD1 4.27Å; F163-I166 PolarHBondContact O-N 3.44Å; I166-S168 PolarHBondContact O-N 2.86Å; I166-A169 PolarHBondContact O-N 2.9Å; I166-V170 HydrophobicContact CG2-CG2 4.33Å; I166-V170 WeakPolarHBondContact O-CG2 3.49Å; I166-V170 PolarHBondContact O-N 2.98Å; I166-L188 HydrophobicContact CD1-CD1 3.66Å; I166-L188 HydrophobicContact CD1-CD2 4.37Å; I166-L188 HydrophobicContact CG1-CD1 4.35Å; I166-L188 HydrophobicContact CG1-CD2 4.15Å; I166-L188 HydrophobicContact CG2-CD2 4.26Å; I166-I196 HydrophobicContact CD1-CD1 4.1Å; I166-I196 HydrophobicContact CD1-CG1 4.44Å; I166-I196 HydrophobicContact CG1-CB 4.41Å; I166-I196 HydrophobicContact CG1-CD1 4.02Å; I166-I196 HydrophobicContact CG1-CG1 3.93Å; I166-I196 HydrophobicContact CG1-CG2 3.77Å; I166-I198 HydrophobicContact CG2-CD1 4.18Å; I166-L243 HydrophobicContact CG2-CD2 3.29Å; I166-I246 HydrophobicContact CD1-CG2 4.22Å
167	V	98.5	Very high	97.1	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62	-41.2	-179.3	168.7	0	0	0	0	111.2	F163 V170 Q171 L302 I305 M306 M311 L320	F163-V167 HydrophobicContact CD1-CG2 3.95Å; F163-V167 HydrophobicContact CE1-CG2 3.65Å; F163-V167 HydrophobicContact CE2-CG2 4.35Å; F163-V167 HydrophobicContact CG-CG2 4.4Å; F163-V167 HydrophobicContact CZ-CG2 3.87Å; F163-V167 WeakPolarHBondContact O-CB 3.31Å; F163-V167 VanDerWaalsContact O-CG2 3.3Å; F163-V167 WeakPolarHBondContact O-CG2 3.48Å; F163-V167 PolarHBondContact O-N 3.37Å; V167-V170 PolarHBondContact O-N 2.79Å; V167-Q171 VanDerWaalsContact O-CB 3.23Å; V167-Q171 WeakPolarHBondContact O-CB 3.46Å; V167-Q171 PolarHBondContact O-N 3.48Å; V167-L302 HydrophobicContact CG1-CD2 4.44Å; V167-I305 HydrophobicContact CG1-CG2 4.5Å; V167-M306 HydrophobicContact CG1-CG 3.55Å; V167-M311 HydrophobicContact CB-CE 4.08Å; V167-M311 HydrophobicContact CG1-CE 4.41Å; V167-M311 HydrophobicContact CG2-CE 3.95Å; V167-L320 HydrophobicContact CG1-CD2 4.34Å
168	S	98.5	Very high	97.1	Very high	14 Å²	14	28 Å²	28	10%	0.098	14%	0.135	C	C	.	.	H	α-helix	trans	-58	-48.5	173	-173.6	0	0	0	0	112.1	H116 S164 I166 Y172	H116-S168 PolarHBondContact NE2-OG 2.73Å; S164-S168 VanDerWaalsContact O-CB 3.29Å; S164-S168 WeakPolarHBondContact O-CB 3.27Å; S164-S168 PolarHBondContact O-N 2.98Å; I166-S168 PolarHBondContact O-N 2.86Å; S168-Y172 WeakPolarHBondContact O-CB 3.36Å; S168-Y172 PolarHBondContact O-N 3.38Å
169	A	98.4	Very high	97.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.2	-42.3	-179.2	0	0	0	0	0	112.9	H116 N118 I119 Q165 I166 C173 I198	H116-A169 VanDerWaalsContact CE1-CA 3.48Å; H116-A169 WeakPolarHBondContact CE1-CA 3.43Å; H116-A169 PolarHBondContact CE1-N 2.7Å; N118-A169 HydrophobicContact CB-CB 4.25Å; I119-A169 HydrophobicContact CD1-CB 4.32Å; I119-A169 HydrophobicContact CG1-CB 3.88Å; Q165-A169 WeakPolarHBondContact O-CB 3.44Å; Q165-A169 PolarHBondContact O-N 3.12Å; Q165-A169 VanDerWaalsContact O-N 3.13Å; I166-A169 PolarHBondContact O-N 2.9Å; A169-C173 PolarHBondContact O-N 2.73Å; A169-C173 VanDerWaalsContact O-N 3.15Å; A169-C173 PolarHBondContact O-SG 3.48Å; A169-C173 VanDerWaalsContact O-SG 3.37Å; A169-I198 HydrophobicContact CB-CD1 3.59Å; A169-I198 HydrophobicContact CB-CG1 4.23Å
170	V	98.3	Very high	97.1	Very high	4 Å²	4	25 Å²	25	2%	0.024	12%	0.121	C	C	.	.	H	α-helix	trans	-74.4	-36.6	-180	-178	0	0	0	0	111.5	I166 V167 Y172 C173 H174 L183 I198 D239 L243 L302	I166-V170 HydrophobicContact CG2-CG2 4.33Å; I166-V170 WeakPolarHBondContact O-CG2 3.49Å; I166-V170 PolarHBondContact O-N 2.98Å; V167-V170 PolarHBondContact O-N 2.79Å; V170-Y172 VanDerWaalsContact C-N 3.34Å; V170-Y172 PolarHBondContact O-N 3.26Å; V170-C173 WeakPolarHBondContact O-CB 3.19Å; V170-C173 PolarHBondContact O-N 3.31Å; V170-H174 PolarHBondContact O-CD2 2.73Å; V170-H174 PolarHBondContact O-N 2.75Å; V170-L183 HydrophobicContact CG1-CD1 4.01Å; V170-L183 HydrophobicContact CG2-CD1 3.8Å; V170-L183 HydrophobicContact CG2-CD2 4.13Å; V170-I198 HydrophobicContact CG2-CD1 3.68Å; V170-D239 HydrophobicContact CG1-CB 4.07Å; V170-L243 HydrophobicContact CB-CD1 4.16Å; V170-L243 HydrophobicContact CG1-CD1 4.06Å; V170-L243 HydrophobicContact CG2-CD1 4.35Å; V170-L243 HydrophobicContact CG2-CD2 4.38Å; V170-L302 HydrophobicContact CB-CD1 3.92Å; V170-L302 HydrophobicContact CG1-CD1 3.68Å
171	Q	98.2	Very high	96.9	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.019	12%	0.12	C	C	.	.	H	α-helix	trans	-63.8	-40	173.2	-177.2	-81.2	-28.1	0	0	111.3	V167 C173 H174 Q175 L302 E303 M306	V167-Q171 VanDerWaalsContact O-CB 3.23Å; V167-Q171 WeakPolarHBondContact O-CB 3.46Å; V167-Q171 PolarHBondContact O-N 3.48Å; Q171-C173 VanDerWaalsContact C-N 3.35Å; Q171-C173 PolarHBondContact O-N 3.02Å; Q171-H174 PolarHBondContact O-N 3.48Å; Q171-H174 VanDerWaalsContact O-N 3.15Å; Q171-Q175 WeakPolarHBondContact O-CB 3.2Å; Q171-Q175 PolarHBondContact O-N 2.8Å; Q171-L302 HydrophobicContact CB-CB 3.87Å; Q171-L302 HydrophobicContact CB-CD1 4.03Å; Q171-L302 HydrophobicContact CG-CB 4.08Å; Q171-E303 HydrophobicContact CG-CG 4.42Å; Q171-M306 HydrophobicContact CB-CE 4.19Å; Q171-M306 HydrophobicContact CB-SD 4.07Å; Q171-M306 HydrophobicContact CG-CE 4.29Å; Q171-M306 HydrophobicContact CG-SD 3.77Å
172	Y	98.3	Very high	96.7	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.016	10%	0.104	C	C	.	.	H	α-helix	trans	-59.5	-42	172.9	167	-97.7	0	0	0	112.4	L114 N115 H116 I119 S168 V170 Q175 K176 Y323 E325	L114-Y172 HydrophobicContact CB-CE1 4.4Å; L114-Y172 HydrophobicContact CD2-CD1 4Å; L114-Y172 HydrophobicContact CD2-CE1 3.5Å; L114-Y172 VanDerWaalsContact CD2-CE1 3.5Å; N115-Y172 PolarHBondContact N-OH 2.76Å; H116-Y172 HydrophobicContact CB-CD1 3.66Å; H116-Y172 HydrophobicContact CB-CE1 3.76Å; H116-Y172 HydrophobicContact CB-CG 4.2Å; H116-Y172 AromaticContact CD2-CG 3.91Å; I119-Y172 HydrophobicContact CD1-CD1 3.9Å; I119-Y172 HydrophobicContact CD1-CE1 4.21Å; S168-Y172 WeakPolarHBondContact O-CB 3.36Å; S168-Y172 PolarHBondContact O-N 3.38Å; V170-Y172 VanDerWaalsContact C-N 3.34Å; V170-Y172 PolarHBondContact O-N 3.26Å; Y172-Q175 PolarHBondContact O-N 3.36Å; Y172-K176 HydrophobicContact CE2-CD 4.35Å; Y172-K176 PolarHBondContact O-N 3.27Å; Y172-K176 VanDerWaalsContact O-N 3.14Å; Y172-K176 VanDerWaalsContact OH-CE 3.29Å; Y172-K176 WeakPolarHBondContact OH-CE 3.21Å; Y172-K176 PolarHBondContact OH-NZ 3.2Å; Y172-K176 VanDerWaalsContact OH-NZ 3.09Å; Y172-Y323 AromaticContact CD2-CD1 3.72Å; Y172-Y323 HydrophobicContact CD2-CD1 3.72Å; Y172-Y323 HydrophobicContact CE2-CD1 4.06Å; Y172-Y323 HydrophobicContact CE2-CE1 4.45Å; Y172-Y323 HydrophobicContact CG-CD1 4.33Å; Y172-E325 HydrophobicContact CE2-CB 4.24Å; Y172-E325 WeakPolarHBondContact CE2-OE2 3.28Å; Y172-E325 PolarHBondContact OH-OE2 3.41Å
173	C	97.8	Very high	96.5	Very high	6 Å²	6	21.3 Å²	21.3	4%	0.041	10%	0.097	C	C	.	.	H	α-helix	trans	-59.6	-47.6	171.2	-67.8	0	0	0	0	111.7	A169 V170 Q171 Q175 K176 Y177 I178	A169-C173 PolarHBondContact O-N 2.73Å; A169-C173 VanDerWaalsContact O-N 3.15Å; A169-C173 PolarHBondContact O-SG 3.48Å; A169-C173 VanDerWaalsContact O-SG 3.37Å; V170-C173 WeakPolarHBondContact O-CB 3.19Å; V170-C173 PolarHBondContact O-N 3.31Å; Q171-C173 VanDerWaalsContact C-N 3.35Å; Q171-C173 PolarHBondContact O-N 3.02Å; C173-Q175 VanDerWaalsContact C-N 3.3Å; C173-Q175 PolarHBondContact O-N 3.34Å; C173-K176 CarbonylContact O-C 3.48Å; C173-K176 WeakPolarHBondContact O-CA 3.46Å; C173-K176 PolarHBondContact O-N 2.76Å; C173-Y177 PolarHBondContact O-N 3.19Å; C173-I178 CarbonylContact C-O 3.36Å; C173-I178 HydrophobicContact CB-CB 4.28Å; C173-I178 HydrophobicContact CB-CG2 4.32Å; C173-I178 PolarHBondContact O-N 3.45Å
174	H	96.8	Very high	96.1	Very high	23 Å²	23	22.8 Å²	22.8	11%	0.106	10%	0.104	C	C	.	.	H	α-helix	trans	-62.2	-37.1	180	-67	-179.2	0	0	0	112.1	V170 Q171 K176 Y177 I178 P236 D239	V170-H174 PolarHBondContact O-CD2 2.73Å; V170-H174 PolarHBondContact O-N 2.75Å; Q171-H174 PolarHBondContact O-N 3.48Å; Q171-H174 VanDerWaalsContact O-N 3.15Å; H174-K176 VanDerWaalsContact C-N 3.3Å; H174-K176 PolarHBondContact O-N 2.69Å; H174-Y177 PolarHBondContact O-N 2.82Å; H174-I178 PolarHBondContact CD2-O 3.02Å; H174-I178 PolarHBondContact N-O 3.44Å; H174-P236 PolarHBondContact CE1-O 2.82Å; H174-D239 IonicContact CD2-OD2 3.35Å; H174-D239 IonicContact CE1-OD2 2.75Å; H174-D239 IonicContact NE2-OD2 2.66Å; H174-D239 PolarHBondContact NE2-OD2 2.94Å
175	Q	96.4	Very high	95.3	Very high	100 Å²	100	22 Å²	22	47%	0.467	10%	0.099	S	C	.	.	H	α-helix	trans	-66.7	-27.7	174.5	-176.7	174.4	-21	0	0	112.9	Q171 Y172 C173 Y177	Q171-Q175 WeakPolarHBondContact O-CB 3.2Å; Q171-Q175 PolarHBondContact O-N 2.8Å; Y172-Q175 PolarHBondContact O-N 3.36Å; C173-Q175 VanDerWaalsContact C-N 3.3Å; C173-Q175 PolarHBondContact O-N 3.34Å; Q175-Y177 VanDerWaalsContact C-N 3.31Å
176	K	96.1	Very high	94.4	Very high	69 Å²	69	21.7 Å²	21.7	30%	0.3	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	18.5	169	-69.1	-159	176.8	-170.7	0	113.7	I113 Y172 C173 H174 I178 E325	I113-K176 PolarHBondContact O-NZ 3.33Å; Y172-K176 HydrophobicContact CE2-CD 4.35Å; Y172-K176 PolarHBondContact O-N 3.27Å; Y172-K176 VanDerWaalsContact O-N 3.14Å; Y172-K176 VanDerWaalsContact OH-CE 3.29Å; Y172-K176 WeakPolarHBondContact OH-CE 3.21Å; Y172-K176 PolarHBondContact OH-NZ 3.2Å; Y172-K176 VanDerWaalsContact OH-NZ 3.09Å; C173-K176 CarbonylContact O-C 3.48Å; C173-K176 WeakPolarHBondContact O-CA 3.46Å; C173-K176 PolarHBondContact O-N 2.76Å; H174-K176 VanDerWaalsContact C-N 3.3Å; H174-K176 PolarHBondContact O-N 2.69Å; K176-I178 HydrophobicContact CB-CD1 4.09Å; K176-I178 PolarHBondContact O-N 2.96Å; K176-E325 WeakPolarHBondContact CE-OE2 3.38Å; K176-E325 IonicContact NZ-OE1 2.75Å; K176-E325 IonicContact NZ-OE2 2.68Å; K176-E325 PolarHBondContact NZ-OE2 3.4Å
177	Y	95.6	Very high	93.9	Very high	140 Å²	140	22.3 Å²	22.3	55%	0.549	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	27.7	-179.6	-58.2	-81.5	0	0	0	114.9	C173 H174 Q175 E206 F207	C173-Y177 PolarHBondContact O-N 3.19Å; H174-Y177 PolarHBondContact O-N 2.82Å; Q175-Y177 VanDerWaalsContact C-N 3.31Å; Y177-E206 CarbonylContact O-C 3.59Å; Y177-E206 WeakPolarHBondContact O-CA 3.3Å; Y177-F207 VanDerWaalsContact CA-CE1 3.41Å; Y177-F207 HydrophobicContact CD1-CD2 4.49Å; Y177-F207 AromaticContact CD1-CE2 3.92Å; Y177-F207 HydrophobicContact CD1-CE2 3.92Å; Y177-F207 AromaticContact CD1-CZ 3.97Å; Y177-F207 HydrophobicContact CD1-CZ 3.97Å; Y177-F207 WeakPolarHBondContact O-CD1 3.45Å; Y177-F207 PolarHBondContact O-N 3.03Å
178	I	95.8	Very high	93.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	132.3	178	-67.6	154	0	0	0	109.8	I110 I113 L114 C173 H174 K176 N205	I110-I178 HydrophobicContact CD1-CG1 4.41Å; I110-I178 HydrophobicContact CD1-CG2 4.26Å; I110-I178 HydrophobicContact CG1-CD1 4.37Å; I110-I178 HydrophobicContact CG1-CG1 4.23Å; I110-I178 HydrophobicContact CG2-CD1 4.08Å; I110-I178 HydrophobicContact CG2-CG1 4.42Å; I110-I178 HydrophobicContact CG2-CG2 3.91Å; I113-I178 HydrophobicContact CD1-CD1 4.04Å; I113-I178 HydrophobicContact CG1-CD1 4.21Å; L114-I178 HydrophobicContact CD1-CD1 4.42Å; L114-I178 HydrophobicContact CD2-CD1 3.82Å; L114-I178 HydrophobicContact CG-CD1 4.08Å; C173-I178 CarbonylContact C-O 3.36Å; C173-I178 HydrophobicContact CB-CB 4.28Å; C173-I178 HydrophobicContact CB-CG2 4.32Å; C173-I178 PolarHBondContact O-N 3.45Å; H174-I178 PolarHBondContact CD2-O 3.02Å; H174-I178 PolarHBondContact N-O 3.44Å; K176-I178 HydrophobicContact CB-CD1 4.09Å; K176-I178 PolarHBondContact O-N 2.96Å; I178-N205 WeakPolarHBondContact CA-O 3.44Å
179	V	94.8	Very high	93.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	141.2	171.6	-73.2	0	0	0	0	110.9	R181 S204 N205 F207 L213 G235 P236 D239	V179-R181 HydrophobicContact CB-CG 4.18Å; V179-R181 HydrophobicContact CG2-CG 4Å; V179-S204 CarbonylContact O-C 3.49Å; V179-S204 WeakPolarHBondContact O-CA 3.29Å; V179-S204 VanDerWaalsContact O-CB 3.24Å; V179-S204 WeakPolarHBondContact O-CB 3.43Å; V179-N205 HydrophobicContact CG2-CB 4.46Å; V179-N205 WeakPolarHBondContact CG2-O 3.4Å; V179-N205 PolarHBondContact N-O 3.39Å; V179-N205 PolarHBondContact O-N 3.39Å; V179-F207 HydrophobicContact CB-CD1 4.42Å; V179-F207 HydrophobicContact CG1-CD1 3.52Å; V179-F207 HydrophobicContact CG1-CE1 3.75Å; V179-F207 HydrophobicContact CG1-CG 4.41Å; V179-F207 HydrophobicContact CG2-CD1 4.29Å; V179-L213 HydrophobicContact CG2-CD1 3.92Å; V179-G235 VanDerWaalsContact CG1-C 3.45Å; V179-P236 HydrophobicContact CG1-CG 4.01Å; V179-D239 WeakPolarHBondContact CA-OD2 3.4Å
180	H	94.8	Very high	93.1	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.019	11%	0.107	C	C	.	.			trans	-87.9	-44.3	-169.9	-169.4	-80.3	0	0	0	112.6	D182 L183 A199 F201 F203 S204 D239	H180-D182 PolarHBondContact CE1-O 3.14Å; H180-D182 VanDerWaalsContact ND1-C 3.33Å; H180-D182 PolarHBondContact ND1-O 3.03Å; H180-D182 PolarHBondContact O-N 2.5Å; H180-L183 HydrophobicContact CB-CD1 4.36Å; H180-L183 HydrophobicContact CB-CD2 4.05Å; H180-L183 HydrophobicContact CB-CG 3.86Å; H180-L183 PolarHBondContact ND1-N 3.01Å; H180-A199 PolarHBondContact NE2-O 3.44Å; H180-F201 AromaticContact CD2-CD1 3.84Å; H180-F201 AromaticContact CD2-CE1 3.64Å; H180-F201 AromaticContact CD2-CZ 3.88Å; H180-F203 CarbonylContact O-C 3.56Å; H180-S204 PolarHBondContact O-N 2.98Å; H180-D239 PolarHBondContact N-OD1 3.34Å; H180-D239 PolarHBondContact N-OD2 2.92Å
181	R	92.4	Very high	92.8	Very high	16 Å²	16	25 Å²	25	6%	0.06	11%	0.113	C	C	.	.	S	Bend	trans	64.2	-12.5	173.5	-49.7	-171.1	-61.4	170.3	-0.3	117.6	V179 F203 C217 G218 Y233 V238 D239	V179-R181 HydrophobicContact CB-CG 4.18Å; V179-R181 HydrophobicContact CG2-CG 4Å; R181-F203 PolarHBondContact NE-O 2.89Å; R181-F203 PolarHBondContact NH2-O 2.92Å; R181-C217 VanDerWaalsContact CZ-SG 3.52Å; R181-G218 WeakPolarHBondContact O-CA 3.29Å; R181-Y233 WeakPolarHBondContact CD-OH 3.38Å; R181-Y233 PolarHBondContact NH1-OH 3.25Å; R181-V238 HydrophobicContact CG-CG2 4.21Å; R181-D239 PolarHBondContact N-OD1 3.4Å
182	D	90.9	Very high	92.1	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.011	13%	0.128	C	C	.	.			trans	-125.4	51	167.5	-167.4	37.9	0	0	0	111.5	H180 K184 N187 F203 G218 S219	H180-D182 PolarHBondContact CE1-O 3.14Å; H180-D182 VanDerWaalsContact ND1-C 3.33Å; H180-D182 PolarHBondContact ND1-O 3.03Å; H180-D182 PolarHBondContact O-N 2.5Å; D182-K184 PolarHBondContact O-N 3.26Å; D182-K184 IonicContact OD1-NZ 2.73Å; D182-K184 WeakPolarHBondContact OD2-CE 3.4Å; D182-K184 IonicContact OD2-NZ 3.48Å; D182-K184 PolarHBondContact OD2-NZ 3.3Å; D182-N187 PolarHBondContact O-ND2 2.93Å; D182-N187 PolarHBondContact OD2-ND2 3.33Å; D182-F203 HydrophobicContact CB-CB 3.92Å; D182-F203 HydrophobicContact CB-CD2 3.67Å; D182-F203 HydrophobicContact CB-CG 4.07Å; D182-G218 VanDerWaalsContact OD1-CA 3.26Å; D182-G218 WeakPolarHBondContact OD1-CA 3.36Å; D182-S219 WeakPolarHBondContact OD1-CB 3.42Å; D182-S219 PolarHBondContact OD1-N 2.99Å; D182-S219 PolarHBondContact OD1-OG 2.84Å
183	L	93.9	Very high	91.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.152	C	C	.	.			trans	-75.6	116.8	172.2	-74.1	174.8	0	0	0	110	V170 H180 I198 Y222 D239 L243 I246	V170-L183 HydrophobicContact CG1-CD1 4.01Å; V170-L183 HydrophobicContact CG2-CD1 3.8Å; V170-L183 HydrophobicContact CG2-CD2 4.13Å; H180-L183 HydrophobicContact CB-CD1 4.36Å; H180-L183 HydrophobicContact CB-CD2 4.05Å; H180-L183 HydrophobicContact CB-CG 3.86Å; H180-L183 PolarHBondContact ND1-N 3.01Å; L183-I198 HydrophobicContact CD2-CG2 4.24Å; L183-Y222 WeakPolarHBondContact O-CB 3.2Å; L183-D239 HydrophobicContact CD1-CB 3.7Å; L183-L243 HydrophobicContact CD1-CD2 4.24Å; L183-L243 HydrophobicContact CD1-CG 4.11Å; L183-I246 HydrophobicContact CB-CD1 4.04Å
184	K	87.5	Confident	91.2	Very high	31 Å²	31	32 Å²	32	14%	0.135	16%	0.158	C	C	.	.			trans	-153.1	162.6	-177.1	65.5	-169.4	-174.3	-150.5	0	110.8	D182 E186 N187 S219 Y222	D182-K184 PolarHBondContact O-N 3.26Å; D182-K184 IonicContact OD1-NZ 2.73Å; D182-K184 WeakPolarHBondContact OD2-CE 3.4Å; D182-K184 IonicContact OD2-NZ 3.48Å; D182-K184 PolarHBondContact OD2-NZ 3.3Å; K184-E186 WeakPolarHBondContact CB-OE2 3.44Å; K184-E186 HydrophobicContact CD-CB 4.28Å; K184-E186 HydrophobicContact CG-CB 4.06Å; K184-E186 WeakPolarHBondContact CG-OE2 3.43Å; K184-E186 PolarHBondContact O-N 2.93Å; K184-N187 WeakPolarHBondContact CE-ND2 3.48Å; K184-N187 VanDerWaalsContact CE-OD1 3.29Å; K184-N187 WeakPolarHBondContact CE-OD1 3.28Å; K184-N187 HydrophobicContact CG-CB 3.97Å; K184-N187 PolarHBondContact O-N 2.81Å; K184-S219 WeakPolarHBondContact CD-OG 3.43Å; K184-S219 PolarHBondContact NZ-OG 3.13Å; K184-S219 VanDerWaalsContact NZ-OG 3.08Å; K184-Y222 HydrophobicContact CB-CD1 4.19Å; K184-Y222 HydrophobicContact CB-CD2 3.6Å; K184-Y222 HydrophobicContact CB-CE1 4.07Å; K184-Y222 HydrophobicContact CB-CE2 3.44Å; K184-Y222 VanDerWaalsContact CB-CE2 3.44Å; K184-Y222 HydrophobicContact CB-CG 3.97Å
185	A	81.1	Confident	91.1	Very high	5 Å²	5	33.2 Å²	33.2	4%	0.041	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-63.4	-24.5	-175.8	0	0	0	0	0	113.9	F145 Y222	F145-A185 HydrophobicContact CB-CB 3.91Å; F145-A185 HydrophobicContact CD2-CB 3.8Å; F145-A185 HydrophobicContact CG-CB 4.31Å; A185-Y222 WeakPolarHBondContact CB-OH 3.47Å; A185-Y222 PolarHBondContact N-OH 2.84Å; A185-Y222 VanDerWaalsContact N-OH 3.17Å
186	E	79.1	Confident	91.1	Very high	34 Å²	34	28.4 Å²	28.4	16%	0.159	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-68.9	-31.1	172.7	-59.6	92.4	144.6	0	0	113.4	K184 L188 Y222 S764	K184-E186 WeakPolarHBondContact CB-OE2 3.44Å; K184-E186 HydrophobicContact CD-CB 4.28Å; K184-E186 HydrophobicContact CG-CB 4.06Å; K184-E186 WeakPolarHBondContact CG-OE2 3.43Å; K184-E186 PolarHBondContact O-N 2.93Å; E186-L188 VanDerWaalsContact C-N 3.29Å; E186-Y222 PolarHBondContact OE2-OH 3.08Å; E186-S764 WeakPolarHBondContact CG-OG 3.46Å
187	N	88.8	Confident	91.1	Very high	13 Å²	13	25.9 Å²	25.9	7%	0.07	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-91.4	5.4	-179.1	-70.8	-1.7	0	0	0	112.1	D182 K184 A199	D182-N187 PolarHBondContact O-ND2 2.93Å; D182-N187 PolarHBondContact OD2-ND2 3.33Å; K184-N187 WeakPolarHBondContact CE-ND2 3.48Å; K184-N187 VanDerWaalsContact CE-OD1 3.29Å; K184-N187 WeakPolarHBondContact CE-OD1 3.28Å; K184-N187 HydrophobicContact CG-CB 3.97Å; K184-N187 PolarHBondContact O-N 2.81Å; N187-A199 PolarHBondContact O-N 2.82Å
188	L	93	Very high	91.2	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	98.6	173.5	-61.8	178.7	0	0	0	109	V144 I166 E186 I198 I246	V144-L188 HydrophobicContact CB-CB 3.97Å; V144-L188 HydrophobicContact CG2-CB 3.74Å; V144-L188 WeakPolarHBondContact CG2-O 3.46Å; V144-L188 PolarHBondContact N-O 2.87Å; I166-L188 HydrophobicContact CD1-CD1 3.66Å; I166-L188 HydrophobicContact CD1-CD2 4.37Å; I166-L188 HydrophobicContact CG1-CD1 4.35Å; I166-L188 HydrophobicContact CG1-CD2 4.15Å; I166-L188 HydrophobicContact CG2-CD2 4.26Å; E186-L188 VanDerWaalsContact C-N 3.29Å; L188-I198 HydrophobicContact CD2-CD1 4.28Å; L188-I198 HydrophobicContact CD2-CG1 3.83Å; L188-I246 HydrophobicContact CD1-CD1 4.14Å; L188-I246 HydrophobicContact CD1-CG1 4.4Å; L188-I246 HydrophobicContact CD1-CG2 3.77Å
189	L	93.8	Very high	91.1	Very high	42 Å²	42	20.1 Å²	20.1	22%	0.22	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	166.5	177.9	-50.2	-177.9	0	0	0	111.2	A139 G142 E143 I196 K197 A199	A139-L189 HydrophobicContact CB-CB 3.55Å; A139-L189 HydrophobicContact CB-CD1 3.95Å; A139-L189 HydrophobicContact CB-CG 4.41Å; G142-L189 CarbonylContact O-C 3.5Å; G142-L189 WeakPolarHBondContact O-CA 3.4Å; E143-L189 HydrophobicContact CG-CD2 3.74Å; L189-I196 CarbonylContact O-C 3.55Å; L189-I196 WeakPolarHBondContact O-CA 3.38Å; L189-K197 HydrophobicContact CB-CB 4.24Å; L189-K197 WeakPolarHBondContact CB-O 3.45Å; L189-K197 PolarHBondContact N-O 3.49Å; L189-K197 PolarHBondContact O-N 2.69Å; L189-A199 HydrophobicContact CD1-CB 3.83Å; L189-A199 HydrophobicContact CG-CB 4.09Å
190	L	92.3	Very high	90.6	Very high	3 Å²	3	23 Å²	23	2%	0.016	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	133.8	177.6	-68.5	166.3	0	0	0	110.6	A139 S140 G141 G142 V144 M194 N195 I196	A139-L190 CarbonylContact C-O 3.53Å; A139-L190 WeakPolarHBondContact CB-O 3.44Å; S140-L190 PolarHBondContact N-O 2.62Å; G141-L190 VanDerWaalsContact CA-O 3.28Å; G141-L190 WeakPolarHBondContact CA-O 3.43Å; G141-L190 PolarHBondContact N-O 2.82Å; G142-L190 PolarHBondContact O-N 2.8Å; V144-L190 HydrophobicContact CG2-CD1 4.21Å; V144-L190 HydrophobicContact CG2-CD2 3.88Å; V144-L190 HydrophobicContact CG2-CG 3.83Å; L190-M194 HydrophobicContact CD1-CE 3.75Å; L190-M194 HydrophobicContact CD1-SD 4.47Å; L190-M194 WeakPolarHBondContact CD2-O 3.12Å; L190-N195 WeakPolarHBondContact CA-O 3.19Å; L190-I196 HydrophobicContact CD2-CD1 4.2Å
191	D	90.6	Very high	90.4	Very high	27 Å²	27	23 Å²	23	14%	0.144	13%	0.127	C	C	.	.			trans	-81	178.8	169.5	71.7	22.2	0	0	0	112.8	D193 M194 N195 K197	D191-D193 PolarHBondContact O-N 3.26Å; D191-D193 WeakPolarHBondContact OD1-CA 3.48Å; D191-D193 PolarHBondContact OD1-N 2.95Å; D191-M194 WeakPolarHBondContact O-CA 3.39Å; D191-M194 PolarHBondContact O-N 2.71Å; D191-M194 PolarHBondContact OD1-N 3.27Å; D191-M194 VanDerWaalsContact OD1-N 3.15Å; D191-N195 PolarHBondContact N-O 2.87Å; D191-N195 PolarHBondContact OD1-N 3.05Å; D191-N195 PolarHBondContact OD1-ND2 3.43Å; D191-N195 VanDerWaalsContact OD1-ND2 3.12Å; D191-N195 WeakPolarHBondContact OD2-CB 3.26Å; D191-N195 PolarHBondContact OD2-ND2 2.92Å; D191-K197 HydrophobicContact CB-CG 4.23Å; D191-K197 WeakPolarHBondContact OD2-CE 3.34Å; D191-K197 IonicContact OD2-NZ 3.88Å
192	G	85.3	Confident	89.8	Confident	32 Å²	32	23 Å²	23	33%	0.33	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-13.4	-178.6	0	0	0	0	0	115.2	S140 R686	S140-G192 PolarHBondContact OG-N 3.36Å; G192-R686 WeakPolarHBondContact O-CD 3.4Å; G192-R686 PolarHBondContact O-NH1 3.08Å; G192-R686 VanDerWaalsContact O-NH1 3.15Å
193	D	87.6	Confident	89.3	Confident	98 Å²	98	26.6 Å²	26.6	52%	0.524	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	8.3	170.3	-84	-48.2	0	0	0	112.4	D191 N195 R686	D191-D193 PolarHBondContact O-N 3.26Å; D191-D193 WeakPolarHBondContact OD1-CA 3.48Å; D191-D193 PolarHBondContact OD1-N 2.95Å; D193-N195 VanDerWaalsContact C-N 3.33Å; D193-N195 WeakPolarHBondContact CB-ND2 3.47Å; D193-R686 IonicContact OD1-CZ 3.11Å; D193-R686 IonicContact OD1-NH1 2.73Å; D193-R686 PolarHBondContact OD1-NH1 2.67Å; D193-R686 IonicContact OD1-NH2 2.76Å
194	M	88.4	Confident	89	Confident	31 Å²	31	26.6 Å²	26.6	15%	0.153	15%	0.148	C	C	.	.			trans	66.3	24.3	-177.9	-55.4	-70.4	-69.4	0	0	114	Y147 K162 L190 D191 T688	Y147-M194 HydrophobicContact CD2-CE 3.9Å; Y147-M194 HydrophobicContact CE2-CE 4.39Å; K162-M194 WeakPolarHBondContact CE-O 3.46Å; K162-M194 PolarHBondContact NZ-O 3.22Å; L190-M194 HydrophobicContact CD1-CE 3.75Å; L190-M194 HydrophobicContact CD1-SD 4.47Å; L190-M194 WeakPolarHBondContact CD2-O 3.12Å; D191-M194 WeakPolarHBondContact O-CA 3.39Å; D191-M194 PolarHBondContact O-N 2.71Å; D191-M194 PolarHBondContact OD1-N 3.27Å; D191-M194 VanDerWaalsContact OD1-N 3.15Å; M194-T688 HydrophobicContact CE-CG2 3.49Å; M194-T688 VanDerWaalsContact CE-CG2 3.49Å
195	N	94.1	Very high	88.9	Confident	49 Å²	49	26.5 Å²	26.5	26%	0.262	15%	0.149	S	C	.	.			trans	-81.2	150.2	171.8	-52.8	-76.3	0	0	0	111.1	Q165 L190 D191 D193	Q165-N195 PolarHBondContact NE2-OD1 3.49Å; L190-N195 WeakPolarHBondContact CA-O 3.19Å; D191-N195 PolarHBondContact N-O 2.87Å; D191-N195 PolarHBondContact OD1-N 3.05Å; D191-N195 PolarHBondContact OD1-ND2 3.43Å; D191-N195 VanDerWaalsContact OD1-ND2 3.12Å; D191-N195 WeakPolarHBondContact OD2-CB 3.26Å; D191-N195 PolarHBondContact OD2-ND2 2.92Å; D193-N195 VanDerWaalsContact C-N 3.33Å; D193-N195 WeakPolarHBondContact CB-ND2 3.47Å
196	I	96.9	Very high	89.2	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	140	176.6	-66.3	-69.1	0	0	0	111.1	N118 V144 K162 Q165 I166 L189 L190 I198	N118-I196 WeakPolarHBondContact CA-O 3.41Å; N118-I196 HydrophobicContact CB-CB 4.4Å; N118-I196 HydrophobicContact CB-CG2 4.34Å; N118-I196 VanDerWaalsContact CB-O 3.26Å; N118-I196 WeakPolarHBondContact CB-O 3.38Å; N118-I196 PolarHBondContact ND2-O 2.96Å; V144-I196 HydrophobicContact CG2-CD1 3.34Å; K162-I196 HydrophobicContact CB-CD1 4.08Å; K162-I196 HydrophobicContact CB-CG1 4.07Å; K162-I196 HydrophobicContact CD-CD1 4.47Å; K162-I196 HydrophobicContact CD-CG1 4.29Å; Q165-I196 HydrophobicContact CB-CB 3.92Å; Q165-I196 HydrophobicContact CB-CG1 4.04Å; I166-I196 HydrophobicContact CD1-CD1 4.1Å; I166-I196 HydrophobicContact CD1-CG1 4.44Å; I166-I196 HydrophobicContact CG1-CB 4.41Å; I166-I196 HydrophobicContact CG1-CD1 4.02Å; I166-I196 HydrophobicContact CG1-CG1 3.93Å; I166-I196 HydrophobicContact CG1-CG2 3.77Å; L189-I196 CarbonylContact O-C 3.55Å; L189-I196 WeakPolarHBondContact O-CA 3.38Å; L190-I196 HydrophobicContact CD2-CD1 4.2Å; I196-I198 HydrophobicContact CG2-CG1 4.04Å
197	K	97.1	Very high	89.6	Confident	16 Å²	16	29.2 Å²	29.2	7%	0.07	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	102.9	168.4	-61.2	-69	176.1	170.4	0	108.5	P117 N118 V120 E137 A139 L189 D191	P117-K197 PolarHBondContact O-NZ 2.66Å; N118-K197 CarbonylContact O-C 3.54Å; N118-K197 WeakPolarHBondContact O-CA 3.46Å; V120-K197 HydrophobicContact CG2-CB 3.92Å; E137-K197 WeakPolarHBondContact OE1-CE 3.21Å; E137-K197 IonicContact OE1-NZ 2.7Å; E137-K197 PolarHBondContact OE1-NZ 3.01Å; E137-K197 IonicContact OE2-NZ 3.65Å; A139-K197 HydrophobicContact CB-CB 4.19Å; A139-K197 HydrophobicContact CB-CG 4.22Å; L189-K197 HydrophobicContact CB-CB 4.24Å; L189-K197 WeakPolarHBondContact CB-O 3.45Å; L189-K197 PolarHBondContact N-O 3.49Å; L189-K197 PolarHBondContact O-N 2.69Å; D191-K197 HydrophobicContact CB-CG 4.23Å; D191-K197 WeakPolarHBondContact OD2-CE 3.34Å; D191-K197 IonicContact OD2-NZ 3.88Å
198	I	97	Very high	89.3	Confident	3 Å²	3	32.3 Å²	32.3	2%	0.015	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	133.5	175.4	-54.4	-170	0	0	0	109.4	N118 V120 I166 A169 V170 L183 L188 I196 F201	N118-I198 PolarHBondContact O-N 3.47Å; V120-I198 WeakPolarHBondContact CG2-O 3.24Å; V120-I198 PolarHBondContact N-O 3.47Å; I166-I198 HydrophobicContact CG2-CD1 4.18Å; A169-I198 HydrophobicContact CB-CD1 3.59Å; A169-I198 HydrophobicContact CB-CG1 4.23Å; V170-I198 HydrophobicContact CG2-CD1 3.68Å; L183-I198 HydrophobicContact CD2-CG2 4.24Å; L188-I198 HydrophobicContact CD2-CD1 4.28Å; L188-I198 HydrophobicContact CD2-CG1 3.83Å; I196-I198 HydrophobicContact CG2-CG1 4.04Å; I198-F201 HydrophobicContact CG2-CE2 4.43Å; I198-F201 HydrophobicContact CG2-CZ 4.38Å
199	A	93.1	Very high	88.7	Confident	15 Å²	15	38.6 Å²	38.6	12%	0.124	22%	0.218	C	C	.	.			trans	-133.4	168.5	-174.3	0	0	0	0	0	113	V120 H180 N187 L189	V120-A199 HydrophobicContact CG2-CB 3.89Å; H180-A199 PolarHBondContact NE2-O 3.44Å; N187-A199 PolarHBondContact O-N 2.82Å; L189-A199 HydrophobicContact CD1-CB 3.83Å; L189-A199 HydrophobicContact CG-CB 4.09Å
200	D	85.8	Confident	88	Confident	60 Å²	60	39.7 Å²	39.7	32%	0.321	24%	0.239	S	C	.	.			trans	63.6	71.7	174.3	-157	37.1	0	0	0	116.4	K89 G202	K89-D200 IonicContact NZ-OD1 3.15Å; K89-D200 PolarHBondContact NZ-OD1 2.7Å; D200-G202 PolarHBondContact O-N 2.82Å; D200-G202 VanDerWaalsContact O-N 3.16Å
201	F	89.4	Confident	87.6	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.018	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-78.1	12.1	178.8	-75.6	-100.8	0	0	0	113.7	E107 I110 M111 L114 I119 H180 I198 F203 S204	E107-F201 HydrophobicContact CG-CB 4.09Å; I110-F201 HydrophobicContact CG2-CB 4.43Å; I110-F201 HydrophobicContact CG2-CD1 3.77Å; I110-F201 HydrophobicContact CG2-CE1 4.47Å; I110-F201 HydrophobicContact CG2-CG 4.35Å; M111-F201 HydrophobicContact CG-CB 4.4Å; L114-F201 HydrophobicContact CD1-CD1 3.76Å; L114-F201 HydrophobicContact CD1-CE1 3.27Å; L114-F201 HydrophobicContact CD1-CE2 4.39Å; L114-F201 HydrophobicContact CD1-CG 4.49Å; L114-F201 HydrophobicContact CD1-CZ 3.65Å; I119-F201 HydrophobicContact CD1-CZ 4.36Å; I119-F201 HydrophobicContact CG2-CE2 3.76Å; I119-F201 HydrophobicContact CG2-CZ 3.84Å; H180-F201 AromaticContact CD2-CD1 3.84Å; H180-F201 AromaticContact CD2-CE1 3.64Å; H180-F201 AromaticContact CD2-CZ 3.88Å; I198-F201 HydrophobicContact CG2-CE2 4.43Å; I198-F201 HydrophobicContact CG2-CZ 4.38Å; F201-F203 PolarHBondContact O-N 2.82Å; F201-F203 VanDerWaalsContact O-N 3.13Å; F201-S204 WeakPolarHBondContact O-CB 3.48Å; F201-S204 PolarHBondContact O-N 2.97Å; F201-S204 PolarHBondContact O-OG 3.39Å
202	G	81.2	Confident	87.4	Confident	16 Å²	16	48.3 Å²	48.3	17%	0.165	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-60.7	-23	-176.7	0	0	0	0	0	115.6	E107 D200	E107-G202 PolarHBondContact OE1-N 2.83Å; E107-G202 WeakPolarHBondContact OE2-CA 3.34Å; D200-G202 PolarHBondContact O-N 2.82Å; D200-G202 VanDerWaalsContact O-N 3.16Å
203	F	80.1	Confident	87.4	Confident	79 Å²	79	47.9 Å²	47.9	35%	0.346	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-97.1	-8.1	172.6	-69.4	-72.5	0	0	0	114.3	H180 R181 D182 F201 C217	H180-F203 CarbonylContact O-C 3.56Å; R181-F203 PolarHBondContact NE-O 2.89Å; R181-F203 PolarHBondContact NH2-O 2.92Å; D182-F203 HydrophobicContact CB-CB 3.92Å; D182-F203 HydrophobicContact CB-CD2 3.67Å; D182-F203 HydrophobicContact CB-CG 4.07Å; F201-F203 PolarHBondContact O-N 2.82Å; F201-F203 VanDerWaalsContact O-N 3.13Å; F203-C217 HydrophobicContact CD1-CB 3.91Å; F203-C217 HydrophobicContact CE1-CB 4.43Å
204	S	86.1	Confident	87.3	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.269	C	S	.	.			trans	-63.1	159.3	-176.9	71.7	0	0	0	0	112.6	R106 I110 V179 H180 F201	R106-S204 PolarHBondContact NE-O 3Å; R106-S204 PolarHBondContact NH2-O 2.85Å; I110-S204 VanDerWaalsContact CD1-OG 3.26Å; I110-S204 WeakPolarHBondContact CD1-OG 3.44Å; V179-S204 CarbonylContact O-C 3.49Å; V179-S204 WeakPolarHBondContact O-CA 3.29Å; V179-S204 VanDerWaalsContact O-CB 3.24Å; V179-S204 WeakPolarHBondContact O-CB 3.43Å; H180-S204 PolarHBondContact O-N 2.98Å; F201-S204 WeakPolarHBondContact O-CB 3.48Å; F201-S204 PolarHBondContact O-N 2.97Å; F201-S204 PolarHBondContact O-OG 3.39Å
205	N	86.4	Confident	87	Confident	28 Å²	28	49 Å²	49	15%	0.15	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	155.4	173.9	-161.5	35.3	0	0	0	111.7	R106 I178 V179 L213	R106-N205 WeakPolarHBondContact CD-OD1 3.33Å; R106-N205 PolarHBondContact NE-OD1 3.19Å; R106-N205 PolarHBondContact NH1-OD1 3.29Å; I178-N205 WeakPolarHBondContact CA-O 3.44Å; V179-N205 HydrophobicContact CG2-CB 4.46Å; V179-N205 WeakPolarHBondContact CG2-O 3.4Å; V179-N205 PolarHBondContact N-O 3.39Å; V179-N205 PolarHBondContact O-N 3.39Å; N205-L213 WeakPolarHBondContact ND2-CD2 3.45Å
206	E	87.2	Confident	86.5	Confident	73 Å²	73	51.5 Å²	51.5	34%	0.341	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	141.1	162.3	-66.8	149	-146.2	0	0	108.5	R109 I110 Y177	R109-E206 WeakPolarHBondContact CD-OE1 3.25Å; R109-E206 IonicContact CZ-OE1 3.6Å; R109-E206 IonicContact NE-OE1 3.22Å; R109-E206 IonicContact NH1-OE1 2.98Å; R109-E206 PolarHBondContact NH1-OE1 3.18Å; R109-E206 IonicContact NH1-OE2 3.53Å; R109-E206 PolarHBondContact NH1-OE2 3.33Å; I110-E206 HydrophobicContact CD1-CG 4.5Å; Y177-E206 CarbonylContact O-C 3.59Å; Y177-E206 WeakPolarHBondContact O-CA 3.3Å
207	F	86.9	Confident	85.7	Confident	24 Å²	24	52.1 Å²	52.1	11%	0.105	29%	0.293	C	S	.	.			trans	-121.4	154	171.6	73.3	-87.9	0	0	0	110.8	Y177 V179 P236	Y177-F207 VanDerWaalsContact CA-CE1 3.41Å; Y177-F207 HydrophobicContact CD1-CD2 4.49Å; Y177-F207 AromaticContact CD1-CE2 3.92Å; Y177-F207 HydrophobicContact CD1-CE2 3.92Å; Y177-F207 AromaticContact CD1-CZ 3.97Å; Y177-F207 HydrophobicContact CD1-CZ 3.97Å; Y177-F207 WeakPolarHBondContact O-CD1 3.45Å; Y177-F207 PolarHBondContact O-N 3.03Å; V179-F207 HydrophobicContact CB-CD1 4.42Å; V179-F207 HydrophobicContact CG1-CD1 3.52Å; V179-F207 HydrophobicContact CG1-CE1 3.75Å; V179-F207 HydrophobicContact CG1-CG 4.41Å; V179-F207 HydrophobicContact CG2-CD1 4.29Å; F207-P236 HydrophobicContact CD1-CG 4.34Å; F207-P236 HydrophobicContact CD2-CG 4.4Å; F207-P236 HydrophobicContact CE1-CG 3.68Å; F207-P236 HydrophobicContact CE2-CG 3.77Å; F207-P236 HydrophobicContact CZ-CG 3.37Å
208	T	82.5	Confident	85	Confident	78 Å²	78	52.1 Å²	52.1	48%	0.479	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-134.4	135.6	176.9	47.2	0	0	0	0	109.8	G210 N211	T208-G210 PolarHBondContact O-N 3.17Å; T208-G210 VanDerWaalsContact O-N 3.17Å; T208-N211 PolarHBondContact O-N 3.37Å; T208-N211 WeakPolarHBondContact OG1-CB 3.35Å; T208-N211 PolarHBondContact OG1-ND2 2.85Å
209	V	81.6	Confident	84.5	Confident	133 Å²	133	53.2 Å²	53.2	81%	0.806	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	121.5	-175.7	-177.8	0	0	0	0	109.6
210	G	78.8	Confident	84.3	Confident	64 Å²	64	54.7 Å²	54.7	66%	0.66	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.9	-25.7	-175.3	0	0	0	0	0	114.8	T208	T208-G210 PolarHBondContact O-N 3.17Å; T208-G210 VanDerWaalsContact O-N 3.17Å
211	N	83.8	Confident	84.5	Confident	109 Å²	109	53.4 Å²	53.4	58%	0.583	31%	0.308	S	S	*	.	B	Isolated β-bridge	trans	-98.5	110.1	177.1	-68	-48.9	0	0	0	111	T208	T208-N211 PolarHBondContact O-N 3.37Å; T208-N211 WeakPolarHBondContact OG1-CB 3.35Å; T208-N211 PolarHBondContact OG1-ND2 2.85Å
212	K	85.5	Confident	84.7	Confident	103 Å²	103	53.8 Å²	53.8	45%	0.448	31%	0.31	S	S	.	.			trans	-87.2	139	-179.1	-60.7	-167	-172.5	-61.7	0	113	K232 Y233 D234	K212-K232 HydrophobicContact CB-CB 3.68Å; K212-K232 HydrophobicContact CB-CD 4.5Å; K212-K232 HydrophobicContact CD-CB 4.08Å; K212-Y233 CarbonylContact C-O 3.57Å; K212-Y233 VanDerWaalsContact CA-O 3.31Å; K212-Y233 WeakPolarHBondContact CA-O 3.37Å; K212-Y233 WeakPolarHBondContact CB-O 3.21Å; K212-D234 IonicContact NZ-OD1 2.92Å; K212-D234 PolarHBondContact NZ-OD1 2.79Å; K212-D234 IonicContact NZ-OD2 2.79Å; K212-D234 PolarHBondContact NZ-OD2 3.15Å
213	L	85.5	Confident	85.4	Confident	22 Å²	22	53.3 Å²	53.3	12%	0.115	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-76.8	148.8	170.2	-54.8	-179.4	0	0	0	110.5	V179 N205 K232 Y233	V179-L213 HydrophobicContact CG2-CD1 3.92Å; N205-L213 WeakPolarHBondContact ND2-CD2 3.45Å; L213-K232 CarbonylContact O-C 3.48Å; L213-K232 WeakPolarHBondContact O-CA 3.29Å; L213-K232 WeakPolarHBondContact O-CB 3.34Å; L213-Y233 HydrophobicContact CB-CD1 4.36Å; L213-Y233 HydrophobicContact CB-CD2 4.05Å; L213-Y233 HydrophobicContact CB-CE1 3.96Å; L213-Y233 HydrophobicContact CB-CE2 3.63Å; L213-Y233 HydrophobicContact CB-CG 4.39Å; L213-Y233 HydrophobicContact CD1-CD2 4.43Å; L213-Y233 HydrophobicContact CD1-CE2 3.77Å; L213-Y233 HydrophobicContact CG-CE2 4.28Å; L213-Y233 PolarHBondContact N-O 3.09Å; L213-Y233 VanDerWaalsContact O-CD1 3.27Å; L213-Y233 WeakPolarHBondContact O-CD1 3.34Å; L213-Y233 PolarHBondContact O-N 2.58Å
214	D	85.3	Confident	86.1	Confident	91 Å²	91	49.6 Å²	49.6	49%	0.487	29%	0.288	S	S	.	.			trans	-126.8	-10.7	179.7	50.9	23.2	0	0	0	114.2	F216 K232	D214-F216 PolarHBondContact O-N 3.14Å; D214-K232 HydrophobicContact CB-CD 3.97Å; D214-K232 HydrophobicContact CB-CG 3.97Å; D214-K232 IonicContact OD2-NZ 2.68Å; D214-K232 PolarHBondContact OD2-NZ 2.91Å
215	T	81.9	Confident	86.6	Confident	63 Å²	63	49.7 Å²	49.7	39%	0.387	29%	0.289	S	S	.	.			trans	-71.3	116.6	-174.2	-41.8	0	0	0	0	111.4	C217 Y233	T215-C217 HydrophobicContact CG2-CB 4.4Å; T215-C217 PolarHBondContact O-N 2.87Å; T215-C217 PolarHBondContact O-SG 2.93Å; T215-Y233 PolarHBondContact O-OH 2.93Å
216	F	84.3	Confident	87	Confident	100 Å²	100	48.7 Å²	48.7	44%	0.439	28%	0.283	S	S	.	.			trans	-66.4	118.3	161.8	-170.1	-80.6	0	0	0	108.8	D214 L227 F228	D214-F216 PolarHBondContact O-N 3.14Å; F216-L227 HydrophobicContact CD2-CB 3.68Å; F216-L227 WeakPolarHBondContact CD2-O 3.41Å; F216-L227 HydrophobicContact CE2-CB 3.74Å; F216-F228 HydrophobicContact CE2-CD1 4.44Å
217	C	80.6	Confident	87.3	Confident	13 Å²	13	45.8 Å²	45.8	9%	0.088	27%	0.27	C	S	.	.			trans	-156.1	170.4	178.5	54.3	0	0	0	0	109.8	R181 F203 T215	R181-C217 VanDerWaalsContact CZ-SG 3.52Å; F203-C217 HydrophobicContact CD1-CB 3.91Å; F203-C217 HydrophobicContact CE1-CB 4.43Å; T215-C217 HydrophobicContact CG2-CB 4.4Å; T215-C217 PolarHBondContact O-N 2.87Å; T215-C217 PolarHBondContact O-SG 2.93Å
218	G	81.8	Confident	87.5	Confident	16 Å²	16	45.1 Å²	45.1	17%	0.165	27%	0.267	C	S	.	.	S	Bend	trans	84.5	172.6	-172.2	0	0	0	0	0	113.9	R181 D182	R181-G218 WeakPolarHBondContact O-CA 3.29Å; D182-G218 VanDerWaalsContact OD1-CA 3.26Å; D182-G218 WeakPolarHBondContact OD1-CA 3.36Å
219	S	86.3	Confident	87.9	Confident	26 Å²	26	45.7 Å²	45.7	18%	0.182	26%	0.264	C	S	.	.			trans	-83.5	122	-169.6	-56.2	0	0	0	0	111.5	D182 K184 P221 Y222 A223	D182-S219 WeakPolarHBondContact OD1-CB 3.42Å; D182-S219 PolarHBondContact OD1-N 2.99Å; D182-S219 PolarHBondContact OD1-OG 2.84Å; K184-S219 WeakPolarHBondContact CD-OG 3.43Å; K184-S219 PolarHBondContact NZ-OG 3.13Å; K184-S219 VanDerWaalsContact NZ-OG 3.08Å; S219-P221 VanDerWaalsContact C-CD 3.44Å; S219-P221 WeakPolarHBondContact O-CD 3.27Å; S219-P221 VanDerWaalsContact O-N 3.09Å; S219-Y222 PolarHBondContact O-N 2.96Å; S219-A223 PolarHBondContact O-N 3.04Å
220	P	89.3	Confident	88.3	Confident	47 Å²	47	42.6 Å²	42.6	31%	0.305	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-35.6	-165.5	-30.5	35.2	0	0	0	118.3	Y222 A223 F228 L262 L265	P220-Y222 PolarHBondContact O-N 3.13Å; P220-A223 PolarHBondContact O-N 3.46Å; P220-F228 HydrophobicContact CB-CZ 4.22Å; P220-F228 WeakPolarHBondContact O-CZ 3.43Å; P220-L262 HydrophobicContact CB-CD1 3.8Å; P220-L262 HydrophobicContact CG-CD1 4.18Å; P220-L265 HydrophobicContact CB-CD2 3.91Å
221	P	89.8	Confident	88.8	Confident	32 Å²	32	45.1 Å²	45.1	21%	0.208	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-21.1	177.9	-22.8	35	0	0	0	114.6	S219 L255 L265	S219-P221 VanDerWaalsContact C-CD 3.44Å; S219-P221 WeakPolarHBondContact O-CD 3.27Å; S219-P221 VanDerWaalsContact O-N 3.09Å; P221-L255 HydrophobicContact CB-CD1 3.92Å; P221-L255 HydrophobicContact CB-CD2 4.23Å; P221-L255 HydrophobicContact CG-CD1 4.47Å; P221-L265 HydrophobicContact CG-CD2 4.23Å
222	Y	94.8	Very high	89.1	Confident	13 Å²	13	46 Å²	46	5%	0.051	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-12.8	178.1	-57.9	-92.7	0	0	0	112.4	L183 K184 A185 E186 S219 P220 W241 S242 V245 I246 L255	L183-Y222 WeakPolarHBondContact O-CB 3.2Å; K184-Y222 HydrophobicContact CB-CD1 4.19Å; K184-Y222 HydrophobicContact CB-CD2 3.6Å; K184-Y222 HydrophobicContact CB-CE1 4.07Å; K184-Y222 HydrophobicContact CB-CE2 3.44Å; K184-Y222 VanDerWaalsContact CB-CE2 3.44Å; K184-Y222 HydrophobicContact CB-CG 3.97Å; A185-Y222 WeakPolarHBondContact CB-OH 3.47Å; A185-Y222 PolarHBondContact N-OH 2.84Å; A185-Y222 VanDerWaalsContact N-OH 3.17Å; E186-Y222 PolarHBondContact OE2-OH 3.08Å; S219-Y222 PolarHBondContact O-N 2.96Å; P220-Y222 PolarHBondContact O-N 3.13Å; Y222-W241 VanDerWaalsContact O-CD1 3.28Å; Y222-S242 PolarHBondContact O-OG 2.85Å; Y222-V245 HydrophobicContact CD1-CB 3.93Å; Y222-V245 HydrophobicContact CD1-CG1 3.41Å; Y222-V245 VanDerWaalsContact CD1-CG1 3.41Å; Y222-V245 HydrophobicContact CE1-CG1 3.8Å; Y222-V245 HydrophobicContact CG-CG1 4.11Å; Y222-I246 HydrophobicContact CD1-CG1 4.15Å; Y222-I246 HydrophobicContact CE1-CG1 3.98Å; Y222-L255 HydrophobicContact CE1-CD2 4.42Å
223	A	94.4	Very high	89.3	Confident	6 Å²	6	41.3 Å²	41.3	5%	0.05	23%	0.23	C	C	.	.			trans	-68	139.7	-174.1	0	0	0	0	0	113.1	S219 P220 L227 F228 W241	S219-A223 PolarHBondContact O-N 3.04Å; P220-A223 PolarHBondContact O-N 3.46Å; A223-L227 HydrophobicContact CB-CD1 4.07Å; A223-F228 HydrophobicContact CB-CD2 4.4Å; A223-F228 HydrophobicContact CB-CE2 3.77Å; A223-F228 HydrophobicContact CB-CZ 4.37Å; A223-W241 PolarHBondContact O-NE1 3.24Å; A223-W241 VanDerWaalsContact O-NE1 3.15Å
224	A	96	Very high	89.3	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.24	C	C	.	.			trans	-71.9	150.3	-179.6	0	0	0	0	0	112.9	E226 L227 V238 W241	A224-E226 VanDerWaalsContact C-N 3.26Å; A224-E226 VanDerWaalsContact CB-CD 3.47Å; A224-E226 HydrophobicContact CB-CG 4.11Å; A224-E226 WeakPolarHBondContact CB-OE1 3.49Å; A224-E226 PolarHBondContact O-N 3Å; A224-L227 HydrophobicContact CB-CD1 4.44Å; A224-L227 HydrophobicContact CB-CG 4.44Å; A224-L227 WeakPolarHBondContact O-CB 3.39Å; A224-L227 PolarHBondContact O-N 3.35Å; A224-V238 HydrophobicContact CB-CB 3.96Å; A224-V238 HydrophobicContact CB-CG1 4.03Å; A224-W241 VanDerWaalsContact CA-CD1 3.48Å; A224-W241 HydrophobicContact CB-CB 3.92Å; A224-W241 HydrophobicContact CB-CD2 4.47Å; A224-W241 HydrophobicContact CB-CG 3.84Å
225	P	96.3	Very high	89.4	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.013	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-29.7	-174	24	-34	0	0	0	113.5	L227 F228 Q229 W241 V269 L270 L294	P225-L227 VanDerWaalsContact C-N 3.3Å; P225-L227 PolarHBondContact O-N 3.19Å; P225-F228 PolarHBondContact O-N 2.96Å; P225-Q229 WeakPolarHBondContact O-CG 3.41Å; P225-Q229 PolarHBondContact O-N 3.44Å; P225-W241 HydrophobicContact CG-CE3 4.23Å; P225-W241 HydrophobicContact CG-CH2 4.06Å; P225-W241 HydrophobicContact CG-CZ2 4.42Å; P225-W241 HydrophobicContact CG-CZ3 3.96Å; P225-V269 HydrophobicContact CB-CG1 4.09Å; P225-L270 HydrophobicContact CB-CD2 3.78Å; P225-L270 WeakPolarHBondContact O-CD2 3.2Å; P225-L294 HydrophobicContact CB-CD2 4.05Å; P225-L294 HydrophobicContact CG-CD2 3.87Å
226	E	94.9	Very high	90.1	Very high	7 Å²	7	37.1 Å²	37.1	3%	0.033	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-35.1	172.6	52.8	-91.4	-148.8	0	0	113.3	A224 Q229 G230 K231 V238 R299	A224-E226 VanDerWaalsContact C-N 3.26Å; A224-E226 VanDerWaalsContact CB-CD 3.47Å; A224-E226 HydrophobicContact CB-CG 4.11Å; A224-E226 WeakPolarHBondContact CB-OE1 3.49Å; A224-E226 PolarHBondContact O-N 3Å; E226-Q229 CarbonylContact O-C 3.56Å; E226-Q229 WeakPolarHBondContact O-CB 3.45Å; E226-Q229 PolarHBondContact O-N 3.01Å; E226-Q229 VanDerWaalsContact O-N 3.1Å; E226-G230 PolarHBondContact O-N 3.37Å; E226-K231 HydrophobicContact CB-CB 4.34Å; E226-K231 PolarHBondContact O-N 2.81Å; E226-K231 VanDerWaalsContact O-N 3.09Å; E226-V238 HydrophobicContact CG-CG1 4.28Å; E226-R299 IonicContact OE1-CZ 2.76Å; E226-R299 IonicContact OE1-NH1 2.95Å; E226-R299 PolarHBondContact OE1-NH1 3.45Å; E226-R299 IonicContact OE1-NH2 2.69Å; E226-R299 PolarHBondContact OE1-NH2 3.18Å; E226-R299 VanDerWaalsContact OE1-NH2 3.15Å; E226-R299 IonicContact OE2-CZ 3.94Å; E226-R299 IonicContact OE2-NH1 2.71Å; E226-R299 IonicContact OE2-NH2 3.15Å; E226-R299 PolarHBondContact OE2-NH2 3.36Å
227	L	93.4	Very high	90.6	Very high	12 Å²	12	33.5 Å²	33.5	6%	0.063	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-66.1	-45.8	175.3	-57.8	176.7	0	0	0	109.9	F216 A223 A224 P225 Q229 G230 Y233 V238	F216-L227 HydrophobicContact CD2-CB 3.68Å; F216-L227 WeakPolarHBondContact CD2-O 3.41Å; F216-L227 HydrophobicContact CE2-CB 3.74Å; A223-L227 HydrophobicContact CB-CD1 4.07Å; A224-L227 HydrophobicContact CB-CD1 4.44Å; A224-L227 HydrophobicContact CB-CG 4.44Å; A224-L227 WeakPolarHBondContact O-CB 3.39Å; A224-L227 PolarHBondContact O-N 3.35Å; P225-L227 VanDerWaalsContact C-N 3.3Å; P225-L227 PolarHBondContact O-N 3.19Å; L227-Q229 PolarHBondContact O-N 3.16Å; L227-G230 PolarHBondContact O-N 2.91Å; L227-Y233 HydrophobicContact CD2-CD1 3.59Å; L227-Y233 HydrophobicContact CD2-CE1 3.32Å; L227-Y233 HydrophobicContact CD2-CE2 4.43Å; L227-Y233 HydrophobicContact CD2-CG 4.27Å; L227-V238 HydrophobicContact CD2-CG1 4.45Å; L227-V238 HydrophobicContact CG-CG1 4.47Å
228	F	91.3	Very high	91.3	Very high	11 Å²	11	33 Å²	33	5%	0.048	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-64.2	-7.2	172.9	-75.6	-76.4	0	0	0	114.5	F216 P220 A223 P225 L262 R266 V269 L270	F216-F228 HydrophobicContact CE2-CD1 4.44Å; P220-F228 HydrophobicContact CB-CZ 4.22Å; P220-F228 WeakPolarHBondContact O-CZ 3.43Å; A223-F228 HydrophobicContact CB-CD2 4.4Å; A223-F228 HydrophobicContact CB-CE2 3.77Å; A223-F228 HydrophobicContact CB-CZ 4.37Å; P225-F228 PolarHBondContact O-N 2.96Å; F228-L262 HydrophobicContact CE1-CD1 3.93Å; F228-L262 HydrophobicContact CZ-CD1 4.48Å; F228-R266 HydrophobicContact CB-CG 4.12Å; F228-R266 HydrophobicContact CD1-CB 3.79Å; F228-R266 HydrophobicContact CD1-CG 3.67Å; F228-R266 HydrophobicContact CE1-CB 4Å; F228-R266 HydrophobicContact CE1-CG 4.39Å; F228-R266 HydrophobicContact CG-CG 4.15Å; F228-R266 VanDerWaalsContact O-CZ 3.29Å; F228-R266 PolarHBondContact O-NE 3.3Å; F228-R266 PolarHBondContact O-NH2 3.27Å; F228-V269 HydrophobicContact CD2-CB 4.28Å; F228-V269 HydrophobicContact CD2-CG1 3.68Å; F228-V269 HydrophobicContact CE2-CB 4.18Å; F228-V269 HydrophobicContact CE2-CG1 3.84Å; F228-V269 HydrophobicContact CE2-CG2 4.1Å; F228-L270 HydrophobicContact CB-CD2 3.94Å; F228-L270 HydrophobicContact CB-CG 4.38Å
229	Q	91.1	Very high	92.1	Very high	89 Å²	89	32.2 Å²	32.2	42%	0.416	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-104.9	-1.8	172.9	-68.3	174.5	0.2	0	0	113	P225 E226 L227 K231 L270	P225-Q229 WeakPolarHBondContact O-CG 3.41Å; P225-Q229 PolarHBondContact O-N 3.44Å; E226-Q229 CarbonylContact O-C 3.56Å; E226-Q229 WeakPolarHBondContact O-CB 3.45Å; E226-Q229 PolarHBondContact O-N 3.01Å; E226-Q229 VanDerWaalsContact O-N 3.1Å; L227-Q229 PolarHBondContact O-N 3.16Å; Q229-K231 HydrophobicContact CB-CD 4.09Å; Q229-K231 HydrophobicContact CB-CG 3.98Å; Q229-K231 PolarHBondContact O-N 2.95Å; Q229-L270 HydrophobicContact CG-CD2 3.83Å
230	G	89.4	Confident	92.6	Very high	68 Å²	68	31.2 Å²	31.2	70%	0.701	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.3	21.8	-175.2	0	0	0	0	0	113.5	E226 L227	E226-G230 PolarHBondContact O-N 3.37Å; L227-G230 PolarHBondContact O-N 2.91Å
231	K	90.1	Very high	93.1	Very high	117 Å²	117	29 Å²	29	51%	0.509	16%	0.158	S	C	.	.			trans	-81.6	143.4	-178.1	-73.9	178.3	176.6	169.4	0	110.8	E226 Q229	E226-K231 HydrophobicContact CB-CB 4.34Å; E226-K231 PolarHBondContact O-N 2.81Å; E226-K231 VanDerWaalsContact O-N 3.09Å; Q229-K231 HydrophobicContact CB-CD 4.09Å; Q229-K231 HydrophobicContact CB-CG 3.98Å; Q229-K231 PolarHBondContact O-N 2.95Å
232	K	89.6	Confident	93.4	Very high	128 Å²	128	27.6 Å²	27.6	56%	0.557	15%	0.15	S	C	*	.			trans	-69.6	137.6	169.3	-53.5	-149.3	178.8	-146.7	0	110.3	K212 L213 D214	K212-K232 HydrophobicContact CB-CB 3.68Å; K212-K232 HydrophobicContact CB-CD 4.5Å; K212-K232 HydrophobicContact CD-CB 4.08Å; L213-K232 CarbonylContact O-C 3.48Å; L213-K232 WeakPolarHBondContact O-CA 3.29Å; L213-K232 WeakPolarHBondContact O-CB 3.34Å; D214-K232 HydrophobicContact CB-CD 3.97Å; D214-K232 HydrophobicContact CB-CG 3.97Å; D214-K232 IonicContact OD2-NZ 2.68Å; D214-K232 PolarHBondContact OD2-NZ 2.91Å
233	Y	88.4	Confident	93.6	Very high	4 Å²	4	27 Å²	27	2%	0.016	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-128.2	153.6	-172.1	58.8	-83	0	0	0	110.3	R181 K212 L213 T215 L227 E237 V238	R181-Y233 WeakPolarHBondContact CD-OH 3.38Å; R181-Y233 PolarHBondContact NH1-OH 3.25Å; K212-Y233 CarbonylContact C-O 3.57Å; K212-Y233 VanDerWaalsContact CA-O 3.31Å; K212-Y233 WeakPolarHBondContact CA-O 3.37Å; K212-Y233 WeakPolarHBondContact CB-O 3.21Å; L213-Y233 HydrophobicContact CB-CD1 4.36Å; L213-Y233 HydrophobicContact CB-CD2 4.05Å; L213-Y233 HydrophobicContact CB-CE1 3.96Å; L213-Y233 HydrophobicContact CB-CE2 3.63Å; L213-Y233 HydrophobicContact CB-CG 4.39Å; L213-Y233 HydrophobicContact CD1-CD2 4.43Å; L213-Y233 HydrophobicContact CD1-CE2 3.77Å; L213-Y233 HydrophobicContact CG-CE2 4.28Å; L213-Y233 PolarHBondContact N-O 3.09Å; L213-Y233 VanDerWaalsContact O-CD1 3.27Å; L213-Y233 WeakPolarHBondContact O-CD1 3.34Å; L213-Y233 PolarHBondContact O-N 2.58Å; T215-Y233 PolarHBondContact O-OH 2.93Å; L227-Y233 HydrophobicContact CD2-CD1 3.59Å; L227-Y233 HydrophobicContact CD2-CE1 3.32Å; L227-Y233 HydrophobicContact CD2-CE2 4.43Å; L227-Y233 HydrophobicContact CD2-CG 4.27Å; Y233-E237 WeakPolarHBondContact CB-OE1 3.46Å; Y233-V238 HydrophobicContact CD2-CG1 3.67Å; Y233-V238 HydrophobicContact CD2-CG2 4.4Å; Y233-V238 HydrophobicContact CE2-CG1 4.2Å; Y233-V238 HydrophobicContact CE2-CG2 4.22Å; Y233-V238 HydrophobicContact CG-CG1 4.06Å
234	D	85.8	Confident	93.8	Very high	60 Å²	60	26.7 Å²	26.7	32%	0.321	15%	0.145	S	C	.	.			trans	-78.7	-37	-177.8	-66.8	-70	0	0	0	111.4	K212 E237	K212-D234 IonicContact NZ-OD1 2.92Å; K212-D234 PolarHBondContact NZ-OD1 2.79Å; K212-D234 IonicContact NZ-OD2 2.79Å; K212-D234 PolarHBondContact NZ-OD2 3.15Å; D234-E237 PolarHBondContact N-OE1 3.46Å
235	G	88.5	Confident	93.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	139.7	-70.7	170.5	0	0	0	0	0	113	V179 E237 V238	V179-G235 VanDerWaalsContact CG1-C 3.45Å; G235-E237 WeakPolarHBondContact CA-OE2 3.45Å; G235-E237 PolarHBondContact N-OE2 2.66Å; G235-E237 PolarHBondContact O-N 3.46Å; G235-V238 WeakPolarHBondContact O-CG2 3.16Å; G235-V238 PolarHBondContact O-N 2.65Å; G235-V238 VanDerWaalsContact O-N 3.11Å
236	P	95.1	Very high	93.9	Very high	29 Å²	29	26.8 Å²	26.8	19%	0.188	15%	0.145	C	C	.	.	H	α-helix	trans	-51.1	-35	-171.8	-32.9	39.2	0	0	0	114.9	H174 V179 F207 V238 D239 V240	H174-P236 PolarHBondContact CE1-O 2.82Å; V179-P236 HydrophobicContact CG1-CG 4.01Å; F207-P236 HydrophobicContact CD1-CG 4.34Å; F207-P236 HydrophobicContact CD2-CG 4.4Å; F207-P236 HydrophobicContact CE1-CG 3.68Å; F207-P236 HydrophobicContact CE2-CG 3.77Å; F207-P236 HydrophobicContact CZ-CG 3.37Å; P236-V238 VanDerWaalsContact C-N 3.29Å; P236-V238 PolarHBondContact O-N 3.35Å; P236-D239 PolarHBondContact O-N 3.48Å; P236-V240 WeakPolarHBondContact O-CG2 3.34Å; P236-V240 PolarHBondContact O-N 3.49Å; P236-V240 VanDerWaalsContact O-N 3.16Å
237	E	95.4	Very high	94	Very high	24 Å²	24	26.4 Å²	26.4	11%	0.112	14%	0.143	C	C	.	.	H	α-helix	trans	-61.6	-31.9	-177.8	69.5	-87.6	-150.3	0	0	113.6	Y233 D234 G235 V240 W241 P296 R299	Y233-E237 WeakPolarHBondContact CB-OE1 3.46Å; D234-E237 PolarHBondContact N-OE1 3.46Å; G235-E237 WeakPolarHBondContact CA-OE2 3.45Å; G235-E237 PolarHBondContact N-OE2 2.66Å; G235-E237 PolarHBondContact O-N 3.46Å; E237-V240 WeakPolarHBondContact O-CB 3.37Å; E237-V240 PolarHBondContact O-N 3.21Å; E237-W241 PolarHBondContact O-N 2.63Å; E237-P296 HydrophobicContact CB-CB 4.13Å; E237-P296 HydrophobicContact CG-CB 3.68Å; E237-R299 VanDerWaalsContact C-NH1 3.3Å; E237-R299 WeakPolarHBondContact O-CD 3.48Å; E237-R299 PolarHBondContact O-NH1 3.28Å
238	V	96.1	Very high	94.2	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.012	14%	0.142	C	C	.	.	H	α-helix	trans	-75.6	-32.3	-177.4	-47.8	0	0	0	0	111	R181 A224 E226 L227 Y233 G235 P236 W241 S242	R181-V238 HydrophobicContact CG-CG2 4.21Å; A224-V238 HydrophobicContact CB-CB 3.96Å; A224-V238 HydrophobicContact CB-CG1 4.03Å; E226-V238 HydrophobicContact CG-CG1 4.28Å; L227-V238 HydrophobicContact CD2-CG1 4.45Å; L227-V238 HydrophobicContact CG-CG1 4.47Å; Y233-V238 HydrophobicContact CD2-CG1 3.67Å; Y233-V238 HydrophobicContact CD2-CG2 4.4Å; Y233-V238 HydrophobicContact CE2-CG1 4.2Å; Y233-V238 HydrophobicContact CE2-CG2 4.22Å; Y233-V238 HydrophobicContact CG-CG1 4.06Å; G235-V238 WeakPolarHBondContact O-CG2 3.16Å; G235-V238 PolarHBondContact O-N 2.65Å; G235-V238 VanDerWaalsContact O-N 3.11Å; P236-V238 VanDerWaalsContact C-N 3.29Å; P236-V238 PolarHBondContact O-N 3.35Å; V238-W241 PolarHBondContact O-N 3.15Å; V238-S242 WeakPolarHBondContact O-CB 3.42Å; V238-S242 PolarHBondContact O-N 3.12Å; V238-S242 PolarHBondContact O-OG 2.9Å
239	D	97.1	Very high	94.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.6	-41.9	169	-71.3	-22.9	0	0	0	110.8	V170 H174 V179 H180 R181 L183 P236 W241 S242 L243	V170-D239 HydrophobicContact CG1-CB 4.07Å; H174-D239 IonicContact CD2-OD2 3.35Å; H174-D239 IonicContact CE1-OD2 2.75Å; H174-D239 IonicContact NE2-OD2 2.66Å; H174-D239 PolarHBondContact NE2-OD2 2.94Å; V179-D239 WeakPolarHBondContact CA-OD2 3.4Å; H180-D239 PolarHBondContact N-OD1 3.34Å; H180-D239 PolarHBondContact N-OD2 2.92Å; R181-D239 PolarHBondContact N-OD1 3.4Å; L183-D239 HydrophobicContact CD1-CB 3.7Å; P236-D239 PolarHBondContact O-N 3.48Å; D239-W241 VanDerWaalsContact C-N 3.34Å; D239-W241 PolarHBondContact O-N 3.35Å; D239-S242 WeakPolarHBondContact O-CB 3.36Å; D239-S242 PolarHBondContact O-N 3.44Å; D239-S242 VanDerWaalsContact O-N 3.14Å; D239-L243 VanDerWaalsContact O-CG 3.28Å; D239-L243 WeakPolarHBondContact O-CG 3.49Å; D239-L243 PolarHBondContact O-N 2.85Å
240	V	98.4	Very high	94.5	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.024	12%	0.123	C	C	.	.	H	α-helix	trans	-59	-42.5	175.6	178.3	0	0	0	0	112.1	P236 E237 L243 G244 L291 R299 G300 L302	P236-V240 WeakPolarHBondContact O-CG2 3.34Å; P236-V240 PolarHBondContact O-N 3.49Å; P236-V240 VanDerWaalsContact O-N 3.16Å; E237-V240 WeakPolarHBondContact O-CB 3.37Å; E237-V240 PolarHBondContact O-N 3.21Å; V240-L243 PolarHBondContact O-N 2.66Å; V240-G244 PolarHBondContact O-N 2.84Å; V240-G244 VanDerWaalsContact O-N 3.12Å; V240-L291 HydrophobicContact CG1-CD2 3.56Å; V240-R299 HydrophobicContact CB-CG 4.39Å; V240-R299 HydrophobicContact CG1-CG 3.77Å; V240-G300 WeakPolarHBondContact CG1-O 3.43Å; V240-L302 HydrophobicContact CG2-CD2 3.84Å; V240-L302 HydrophobicContact CG2-CG 3.95Å
241	W	98.3	Very high	94.8	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63	-45.4	174.2	174.6	-83.3	0	0	0	111.3	Y222 A223 A224 P225 E237 V238 D239 L243 G244 V245 F257 V269 L292 L294	Y222-W241 VanDerWaalsContact O-CD1 3.28Å; A223-W241 PolarHBondContact O-NE1 3.24Å; A223-W241 VanDerWaalsContact O-NE1 3.15Å; A224-W241 VanDerWaalsContact CA-CD1 3.48Å; A224-W241 HydrophobicContact CB-CB 3.92Å; A224-W241 HydrophobicContact CB-CD2 4.47Å; A224-W241 HydrophobicContact CB-CG 3.84Å; P225-W241 HydrophobicContact CG-CE3 4.23Å; P225-W241 HydrophobicContact CG-CH2 4.06Å; P225-W241 HydrophobicContact CG-CZ2 4.42Å; P225-W241 HydrophobicContact CG-CZ3 3.96Å; E237-W241 PolarHBondContact O-N 2.63Å; V238-W241 PolarHBondContact O-N 3.15Å; D239-W241 VanDerWaalsContact C-N 3.34Å; D239-W241 PolarHBondContact O-N 3.35Å; W241-L243 VanDerWaalsContact C-N 3.25Å; W241-L243 PolarHBondContact O-N 3.29Å; W241-G244 WeakPolarHBondContact O-CA 3.36Å; W241-G244 PolarHBondContact O-N 2.96Å; W241-V245 PolarHBondContact O-N 2.82Å; W241-F257 AromaticContact CH2-CE2 3.9Å; W241-F257 HydrophobicContact CH2-CE2 3.9Å; W241-F257 AromaticContact CH2-CZ 3.98Å; W241-F257 HydrophobicContact CH2-CZ 3.98Å; W241-F257 HydrophobicContact CZ2-CD2 4.06Å; W241-F257 AromaticContact CZ2-CE2 3.34Å; W241-F257 HydrophobicContact CZ2-CE2 3.34Å; W241-F257 AromaticContact CZ2-CZ 3.9Å; W241-F257 HydrophobicContact CZ2-CZ 3.9Å; W241-V269 HydrophobicContact CZ2-CG1 4.01Å; W241-L292 HydrophobicContact CD2-CD2 3.93Å; W241-L292 HydrophobicContact CE3-CB 4.5Å; W241-L292 HydrophobicContact CE3-CD2 4.12Å; W241-L292 HydrophobicContact CG-CD2 4.4Å; W241-L292 HydrophobicContact CH2-CD2 4.49Å; W241-L292 HydrophobicContact CZ2-CD2 4.32Å; W241-L292 VanDerWaalsContact CZ3-C 3.45Å; W241-L292 HydrophobicContact CZ3-CB 4.25Å; W241-L292 HydrophobicContact CZ3-CD2 4.4Å; W241-L294 HydrophobicContact CH2-CD2 4.03Å; W241-L294 HydrophobicContact CZ3-CD2 4.25Å
242	S	97.8	Very high	94.9	Very high	4 Å²	4	14 Å²	14	3%	0.028	7%	0.07	C	C	.	.	H	α-helix	trans	-59.9	-37.5	178.8	-54.4	0	0	0	0	111.5	Y222 V238 D239 V245 I246	Y222-S242 PolarHBondContact O-OG 2.85Å; V238-S242 WeakPolarHBondContact O-CB 3.42Å; V238-S242 PolarHBondContact O-N 3.12Å; V238-S242 PolarHBondContact O-OG 2.9Å; D239-S242 WeakPolarHBondContact O-CB 3.36Å; D239-S242 PolarHBondContact O-N 3.44Å; D239-S242 VanDerWaalsContact O-N 3.14Å; S242-V245 WeakPolarHBondContact O-CB 3.44Å; S242-V245 PolarHBondContact O-N 2.88Å; S242-I246 WeakPolarHBondContact O-CD1 3.11Å; S242-I246 WeakPolarHBondContact O-CG1 3.39Å; S242-I246 PolarHBondContact O-N 3.1Å
243	L	98.3	Very high	94.9	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-66.1	-34	172.9	-70.8	171.3	0	0	0	113.1	F163 I166 V170 L183 D239 V240 W241 I246 L247 L302	F163-L243 HydrophobicContact CE2-CB 4.09Å; F163-L243 HydrophobicContact CE2-CD2 4.12Å; F163-L243 VanDerWaalsContact CE2-O 3.3Å; F163-L243 WeakPolarHBondContact CE2-O 3.29Å; F163-L243 HydrophobicContact CZ-CB 4.02Å; I166-L243 HydrophobicContact CG2-CD2 3.29Å; V170-L243 HydrophobicContact CB-CD1 4.16Å; V170-L243 HydrophobicContact CG1-CD1 4.06Å; V170-L243 HydrophobicContact CG2-CD1 4.35Å; V170-L243 HydrophobicContact CG2-CD2 4.38Å; L183-L243 HydrophobicContact CD1-CD2 4.24Å; L183-L243 HydrophobicContact CD1-CG 4.11Å; D239-L243 VanDerWaalsContact O-CG 3.28Å; D239-L243 WeakPolarHBondContact O-CG 3.49Å; D239-L243 PolarHBondContact O-N 2.85Å; V240-L243 PolarHBondContact O-N 2.66Å; W241-L243 VanDerWaalsContact C-N 3.25Å; W241-L243 PolarHBondContact O-N 3.29Å; L243-I246 HydrophobicContact CD2-CD1 4.23Å; L243-I246 PolarHBondContact O-N 3.16Å; L243-L247 WeakPolarHBondContact O-CB 3.21Å; L243-L247 PolarHBondContact O-N 2.82Å; L243-L302 HydrophobicContact CD1-CD1 4.05Å; L243-L302 HydrophobicContact CD1-CD2 3.79Å
244	G	98.3	Very high	94.8	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62.7	-40.9	169.2	0	0	0	0	0	112.9	V240 W241 Y248 L288	V240-G244 PolarHBondContact O-N 2.84Å; V240-G244 VanDerWaalsContact O-N 3.12Å; W241-G244 WeakPolarHBondContact O-CA 3.36Å; W241-G244 PolarHBondContact O-N 2.96Å; G244-Y248 WeakPolarHBondContact O-CB 3.2Å; G244-Y248 PolarHBondContact O-N 3.27Å; G244-Y248 VanDerWaalsContact O-N 3.1Å; G244-L288 WeakPolarHBondContact O-CD2 3.29Å
245	V	97.5	Very high	95.1	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-64.7	-44	174.7	177.8	0	0	0	0	110.9	Y222 W241 S242 T249 L255 P256 L292	Y222-V245 HydrophobicContact CD1-CB 3.93Å; Y222-V245 HydrophobicContact CD1-CG1 3.41Å; Y222-V245 VanDerWaalsContact CD1-CG1 3.41Å; Y222-V245 HydrophobicContact CE1-CG1 3.8Å; Y222-V245 HydrophobicContact CG-CG1 4.11Å; W241-V245 PolarHBondContact O-N 2.82Å; S242-V245 WeakPolarHBondContact O-CB 3.44Å; S242-V245 PolarHBondContact O-N 2.88Å; V245-T249 WeakPolarHBondContact O-CB 3.4Å; V245-T249 PolarHBondContact O-N 2.85Å; V245-T249 PolarHBondContact O-OG1 3.2Å; V245-L255 HydrophobicContact CG1-CD2 3.95Å; V245-P256 HydrophobicContact CB-CG 4.26Å; V245-P256 HydrophobicContact CG1-CG 4.01Å; V245-P256 HydrophobicContact CG2-CG 4.06Å; V245-L292 HydrophobicContact CG2-CD2 3.99Å
246	I	96.5	Very high	95.3	Very high	3 Å²	3	10.6 Å²	10.6	2%	0.015	7%	0.066	C	C	.	.	H	α-helix	trans	-60.7	-53	175.5	-71.5	159	0	0	0	110.9	I166 L183 L188 Y222 S242 L243 Y248 T249 L250	I166-I246 HydrophobicContact CD1-CG2 4.22Å; L183-I246 HydrophobicContact CB-CD1 4.04Å; L188-I246 HydrophobicContact CD1-CD1 4.14Å; L188-I246 HydrophobicContact CD1-CG1 4.4Å; L188-I246 HydrophobicContact CD1-CG2 3.77Å; Y222-I246 HydrophobicContact CD1-CG1 4.15Å; Y222-I246 HydrophobicContact CE1-CG1 3.98Å; S242-I246 WeakPolarHBondContact O-CD1 3.11Å; S242-I246 WeakPolarHBondContact O-CG1 3.39Å; S242-I246 PolarHBondContact O-N 3.1Å; L243-I246 HydrophobicContact CD2-CD1 4.23Å; L243-I246 PolarHBondContact O-N 3.16Å; I246-Y248 PolarHBondContact O-N 3.27Å; I246-T249 WeakPolarHBondContact O-CA 3.34Å; I246-T249 WeakPolarHBondContact O-CB 3.47Å; I246-T249 PolarHBondContact O-N 3.44Å; I246-L250 HydrophobicContact CG2-CD1 4.15Å; I246-L250 HydrophobicContact CG2-CG 4.38Å; I246-L250 WeakPolarHBondContact O-CG 3.3Å; I246-L250 PolarHBondContact O-N 2.82Å
247	L	97.9	Very high	95.3	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-54.9	-50.1	-179.6	174.6	60.3	0	0	0	111.6	F163 L243 T249 L250 V251 L287 L288 L291 W310	F163-L247 HydrophobicContact CD1-CD1 4.08Å; F163-L247 HydrophobicContact CD1-CD2 4.42Å; F163-L247 HydrophobicContact CD2-CB 4.18Å; F163-L247 HydrophobicContact CD2-CD1 4.46Å; F163-L247 HydrophobicContact CE1-CB 4.23Å; F163-L247 HydrophobicContact CE1-CD1 4.4Å; F163-L247 HydrophobicContact CE1-CD2 4Å; F163-L247 HydrophobicContact CE1-CG 4.44Å; F163-L247 HydrophobicContact CE2-CB 3.78Å; F163-L247 HydrophobicContact CG-CD1 4.13Å; F163-L247 HydrophobicContact CZ-CB 3.81Å; F163-L247 HydrophobicContact CZ-CD2 4.3Å; F163-L247 HydrophobicContact CZ-CG 4.5Å; L243-L247 WeakPolarHBondContact O-CB 3.21Å; L243-L247 PolarHBondContact O-N 2.82Å; L247-T249 VanDerWaalsContact C-N 3.26Å; L247-T249 PolarHBondContact O-N 3.34Å; L247-L250 PolarHBondContact O-N 3.19Å; L247-V251 HydrophobicContact CD1-CG1 4.19Å; L247-V251 WeakPolarHBondContact O-CG2 3.4Å; L247-V251 PolarHBondContact O-N 3.47Å; L247-V251 VanDerWaalsContact O-N 3.17Å; L247-L287 HydrophobicContact CD2-CB 4.49Å; L247-L287 HydrophobicContact CD2-CD2 3.54Å; L247-L287 HydrophobicContact CD2-CG 3.71Å; L247-L288 HydrophobicContact CB-CD2 4.2Å; L247-L288 HydrophobicContact CD2-CD2 3.89Å; L247-L288 HydrophobicContact CD2-CG 4.12Å; L247-L288 HydrophobicContact CG-CD2 4.05Å; L247-L291 HydrophobicContact CD2-CD1 3.92Å; L247-W310 HydrophobicContact CD1-CH2 3.52Å; L247-W310 HydrophobicContact CD1-CZ2 4.22Å; L247-W310 HydrophobicContact CD1-CZ3 3.75Å
248	Y	97.1	Very high	94.9	Very high	11 Å²	11	12.4 Å²	12.4	4%	0.043	8%	0.075	C	C	.	.	H	α-helix	trans	-57.2	-42.5	177	-179	-82.8	0	0	0	111.4	G244 I246 V251 S252 S254 L255 P256 Y274 R275 M280 L288	G244-Y248 WeakPolarHBondContact O-CB 3.2Å; G244-Y248 PolarHBondContact O-N 3.27Å; G244-Y248 VanDerWaalsContact O-N 3.1Å; I246-Y248 PolarHBondContact O-N 3.27Å; Y248-V251 PolarHBondContact O-N 2.82Å; Y248-S252 WeakPolarHBondContact CD1-OG 3.4Å; Y248-S252 WeakPolarHBondContact CE1-OG 3.47Å; Y248-S252 VanDerWaalsContact O-CB 3.28Å; Y248-S252 WeakPolarHBondContact O-CB 3.3Å; Y248-S252 PolarHBondContact O-N 2.84Å; Y248-S252 PolarHBondContact O-OG 3.11Å; Y248-S254 WeakPolarHBondContact CD1-O 3.43Å; Y248-S254 VanDerWaalsContact CE1-O 3.23Å; Y248-S254 WeakPolarHBondContact CE1-O 3.5Å; Y248-L255 VanDerWaalsContact CE1-C 3.5Å; Y248-P256 HydrophobicContact CD1-CB 3.6Å; Y248-P256 HydrophobicContact CD1-CG 3.99Å; Y248-P256 HydrophobicContact CD2-CB 4.12Å; Y248-P256 VanDerWaalsContact CE1-CA 3.45Å; Y248-P256 HydrophobicContact CE1-CB 3.88Å; Y248-P256 HydrophobicContact CE2-CB 4.36Å; Y248-P256 HydrophobicContact CG-CB 3.73Å; Y248-P256 HydrophobicContact CG-CG 4.18Å; Y248-Y274 HydrophobicContact CD2-CD2 4.01Å; Y248-Y274 AromaticContact CE2-CD2 3.89Å; Y248-Y274 HydrophobicContact CE2-CD2 3.89Å; Y248-R275 VanDerWaalsContact CE2-O 3.29Å; Y248-R275 WeakPolarHBondContact CE2-O 3.33Å; Y248-R275 PolarHBondContact OH-O 3.44Å; Y248-R275 VanDerWaalsContact OH-O 3.12Å; Y248-M280 HydrophobicContact CD2-CE 4.14Å; Y248-M280 HydrophobicContact CE2-CE 4.3Å; Y248-L288 HydrophobicContact CD2-CD1 4.06Å
249	T	93.8	Very high	94.1	Very high	7 Å²	7	13.3 Å²	13.3	4%	0.043	9%	0.085	C	C	.	.	H	α-helix	trans	-65.4	-38.2	179.7	-54.3	0	0	0	0	112.3	L148 V245 I246 L247 G253 S254	L148-T249 HydrophobicContact CD1-CG2 3.99Å; V245-T249 WeakPolarHBondContact O-CB 3.4Å; V245-T249 PolarHBondContact O-N 2.85Å; V245-T249 PolarHBondContact O-OG1 3.2Å; I246-T249 WeakPolarHBondContact O-CA 3.34Å; I246-T249 WeakPolarHBondContact O-CB 3.47Å; I246-T249 PolarHBondContact O-N 3.44Å; L247-T249 VanDerWaalsContact C-N 3.26Å; L247-T249 PolarHBondContact O-N 3.34Å; T249-G253 VanDerWaalsContact O-CA 3.22Å; T249-G253 WeakPolarHBondContact O-CA 3.16Å; T249-G253 PolarHBondContact O-N 3Å; T249-S254 VanDerWaalsContact CA-O 3.31Å; T249-S254 WeakPolarHBondContact CA-O 3.26Å; T249-S254 PolarHBondContact OG1-O 2.9Å
250	L	94.5	Very high	93.2	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.016	13%	0.125	C	C	.	.	H	α-helix	trans	-63.1	-49.3	175.3	-62.8	172.7	0	0	0	112.1	V144 L148 M154 A159 I246 L247	V144-L250 HydrophobicContact CG1-CD2 3.44Å; V144-L250 VanDerWaalsContact CG1-CD2 3.44Å; L148-L250 HydrophobicContact CD1-CD2 4.34Å; M154-L250 HydrophobicContact CE-CD2 4.11Å; M154-L250 PolarHBondContact N-O 2.93Å; M154-L250 HydrophobicContact SD-CB 4.4Å; M154-L250 HydrophobicContact SD-CD2 3.87Å; A159-L250 HydrophobicContact CB-CB 4.16Å; I246-L250 HydrophobicContact CG2-CD1 4.15Å; I246-L250 HydrophobicContact CG2-CG 4.38Å; I246-L250 WeakPolarHBondContact O-CG 3.3Å; I246-L250 PolarHBondContact O-N 2.82Å; L247-L250 PolarHBondContact O-N 3.19Å
251	V	96	Very high	92.4	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.012	15%	0.145	C	C	.	.	H	α-helix	trans	-85.2	-22	-170.9	-56.8	0	0	0	0	114.5	R153 E156 A159 L247 Y248 M280 W310	R153-V251 WeakPolarHBondContact CD-O 3.38Å; R153-V251 PolarHBondContact NH1-O 3.2Å; E156-V251 HydrophobicContact CG-CG1 4.17Å; A159-V251 HydrophobicContact CB-CG1 3.66Å; L247-V251 HydrophobicContact CD1-CG1 4.19Å; L247-V251 WeakPolarHBondContact O-CG2 3.4Å; L247-V251 PolarHBondContact O-N 3.47Å; L247-V251 VanDerWaalsContact O-N 3.17Å; Y248-V251 PolarHBondContact O-N 2.82Å; V251-M280 HydrophobicContact CG2-CE 3.64Å; V251-W310 HydrophobicContact CG1-CZ2 4.35Å
252	S	92.8	Very high	91.6	Very high	12 Å²	12	30.9 Å²	30.9	8%	0.084	17%	0.172	C	C	.	.	H	α-helix	trans	-102.8	-26.2	177	73.8	0	0	0	0	114	R153 Y248 S254 Y279	R153-S252 VanDerWaalsContact CB-C 3.43Å; Y248-S252 WeakPolarHBondContact CD1-OG 3.4Å; Y248-S252 WeakPolarHBondContact CE1-OG 3.47Å; Y248-S252 VanDerWaalsContact O-CB 3.28Å; Y248-S252 WeakPolarHBondContact O-CB 3.3Å; Y248-S252 PolarHBondContact O-N 2.84Å; Y248-S252 PolarHBondContact O-OG 3.11Å; S252-S254 VanDerWaalsContact C-N 3.33Å; S252-S254 PolarHBondContact OG-N 2.92Å; S252-S254 VanDerWaalsContact OG-N 3.16Å; S252-S254 PolarHBondContact OG-O 2.85Å; S252-S254 VanDerWaalsContact OG-O 3.05Å; S252-S254 PolarHBondContact OG-OG 2.88Å; S252-Y279 PolarHBondContact O-OH 3.48Å
253	G	88.6	Confident	91.2	Very high	10 Å²	10	37.6 Å²	37.6	10%	0.103	20%	0.2	C	C	.	.	S	Bend	trans	78.8	10	-172.4	0	0	0	0	0	114.5	T249 K768	T249-G253 VanDerWaalsContact O-CA 3.22Å; T249-G253 WeakPolarHBondContact O-CA 3.16Å; T249-G253 PolarHBondContact O-N 3Å; G253-K768 PolarHBondContact O-NZ 2.79Å
254	S	87.6	Confident	90.8	Very high	58 Å²	58	40 Å²	40	41%	0.406	21%	0.212	S	C	.	.	S	Bend	trans	-142.3	162	179.7	58.7	0	0	0	0	112.1	Y248 T249 S252	Y248-S254 WeakPolarHBondContact CD1-O 3.43Å; Y248-S254 VanDerWaalsContact CE1-O 3.23Å; Y248-S254 WeakPolarHBondContact CE1-O 3.5Å; T249-S254 VanDerWaalsContact CA-O 3.31Å; T249-S254 WeakPolarHBondContact CA-O 3.26Å; T249-S254 PolarHBondContact OG1-O 2.9Å; S252-S254 VanDerWaalsContact C-N 3.33Å; S252-S254 PolarHBondContact OG-N 2.92Å; S252-S254 VanDerWaalsContact OG-N 3.16Å; S252-S254 PolarHBondContact OG-O 2.85Å; S252-S254 VanDerWaalsContact OG-O 3.05Å; S252-S254 PolarHBondContact OG-OG 2.88Å
255	L	90.7	Very high	90.4	Very high	39 Å²	39	40.5 Å²	40.5	20%	0.204	21%	0.214	C	C	.	.			trans	-71.5	148	174.6	-70.5	164.1	0	0	0	111.2	P221 Y222 V245 Y248 D258	P221-L255 HydrophobicContact CB-CD1 3.92Å; P221-L255 HydrophobicContact CB-CD2 4.23Å; P221-L255 HydrophobicContact CG-CD1 4.47Å; Y222-L255 HydrophobicContact CE1-CD2 4.42Å; V245-L255 HydrophobicContact CG1-CD2 3.95Å; Y248-L255 VanDerWaalsContact CE1-C 3.5Å; L255-D258 HydrophobicContact CB-CB 4.43Å
256	P	94.4	Very high	90.2	Very high	14 Å²	14	46.3 Å²	46.3	9%	0.091	24%	0.236	C	C	.	.	S	Bend	trans	-75.1	-28.7	174.7	28.6	-30.9	0	0	0	112.5	V245 Y248 Y274 L292	V245-P256 HydrophobicContact CB-CG 4.26Å; V245-P256 HydrophobicContact CG1-CG 4.01Å; V245-P256 HydrophobicContact CG2-CG 4.06Å; Y248-P256 HydrophobicContact CD1-CB 3.6Å; Y248-P256 HydrophobicContact CD1-CG 3.99Å; Y248-P256 HydrophobicContact CD2-CB 4.12Å; Y248-P256 VanDerWaalsContact CE1-CA 3.45Å; Y248-P256 HydrophobicContact CE1-CB 3.88Å; Y248-P256 HydrophobicContact CE2-CB 4.36Å; Y248-P256 HydrophobicContact CG-CB 3.73Å; Y248-P256 HydrophobicContact CG-CG 4.18Å; P256-Y274 HydrophobicContact CB-CG 4.33Å; P256-L292 HydrophobicContact CB-CD1 4.44Å
257	F	94.2	Very high	90.1	Very high	3 Å²	3	51.1 Å²	51.1	1%	0.013	26%	0.259	C	S	.	.	S	Bend	trans	-132.8	127.5	176.7	-40.6	-68.4	0	0	0	107.8	W241 L265 R268 V269 Y274 L292	W241-F257 AromaticContact CH2-CE2 3.9Å; W241-F257 HydrophobicContact CH2-CE2 3.9Å; W241-F257 AromaticContact CH2-CZ 3.98Å; W241-F257 HydrophobicContact CH2-CZ 3.98Å; W241-F257 HydrophobicContact CZ2-CD2 4.06Å; W241-F257 AromaticContact CZ2-CE2 3.34Å; W241-F257 HydrophobicContact CZ2-CE2 3.34Å; W241-F257 AromaticContact CZ2-CZ 3.9Å; W241-F257 HydrophobicContact CZ2-CZ 3.9Å; F257-L265 HydrophobicContact CB-CD1 4.14Å; F257-R268 HydrophobicContact CB-CB 4.47Å; F257-V269 HydrophobicContact CB-CG2 3.71Å; F257-V269 HydrophobicContact CD2-CG2 4.07Å; F257-V269 HydrophobicContact CG-CG2 3.96Å; F257-Y274 HydrophobicContact CE1-CD1 4.11Å; F257-Y274 AromaticContact CZ-CD1 3.9Å; F257-Y274 HydrophobicContact CZ-CD1 3.9Å; F257-L292 HydrophobicContact CE2-CD1 4.4Å; F257-L292 HydrophobicContact CE2-CD2 4.23Å; F257-L292 HydrophobicContact CZ-CD1 4.39Å
258	D	86.5	Confident	90	Very high	89 Å²	89	55 Å²	55	48%	0.476	27%	0.273	S	S	.	.			trans	-150.1	161.6	-177.5	-171.9	15.4	0	0	0	108.4	L255 R268	L255-D258 HydrophobicContact CB-CB 4.43Å; D258-R268 WeakPolarHBondContact O-CD 3.13Å; D258-R268 PolarHBondContact O-NH1 2.88Å
259	G	80.8	Confident	89.9	Confident	21 Å²	21	54.5 Å²	54.5	22%	0.216	27%	0.271	C	S	.	.			trans	-174	152.5	176.9	0	0	0	0	0	114.5	N261 E264	G259-N261 PolarHBondContact O-N 2.87Å; G259-N261 VanDerWaalsContact O-N 3.07Å; G259-E264 WeakPolarHBondContact CA-OE2 3.21Å
260	Q	78.2	Confident	90.1	Very high	184 Å²	184	56.8 Å²	56.8	86%	0.86	28%	0.283	S	S	*	.	S	Bend	trans	-63.6	-15.5	-178.3	-63.3	-175.6	-12.9	0	0	113.2	E264	Q260-E264 PolarHBondContact N-OE2 2.99Å
261	N	81.3	Confident	90.2	Very high	83 Å²	83	63.1 Å²	63.1	44%	0.444	31%	0.307	S	S	.	.	S	Bend	trans	-156.6	164.6	176.2	59.2	74.6	0	0	0	110.6	G259 K263 E264 L265	G259-N261 PolarHBondContact O-N 2.87Å; G259-N261 VanDerWaalsContact O-N 3.07Å; N261-K263 PolarHBondContact O-N 2.9Å; N261-K263 WeakPolarHBondContact OD1-CB 3.23Å; N261-K263 PolarHBondContact OD1-N 3.09Å; N261-K263 VanDerWaalsContact OD1-N 3.14Å; N261-E264 PolarHBondContact O-N 3.21Å; N261-E264 PolarHBondContact OD1-N 2.73Å; N261-L265 PolarHBondContact O-N 3.11Å
262	L	81.6	Confident	90.2	Very high	105 Å²	105	63.7 Å²	63.7	55%	0.55	31%	0.313	S	S	.	.	H	α-helix	trans	-60.3	-27.7	-176.5	-172.4	61.9	0	0	0	113.8	P220 F228 L265 R266	P220-L262 HydrophobicContact CB-CD1 3.8Å; P220-L262 HydrophobicContact CG-CD1 4.18Å; F228-L262 HydrophobicContact CE1-CD1 3.93Å; F228-L262 HydrophobicContact CZ-CD1 4.48Å; L262-L265 HydrophobicContact CD1-CD2 4.4Å; L262-R266 WeakPolarHBondContact O-CB 3.41Å; L262-R266 PolarHBondContact O-N 3.27Å
263	K	88.8	Confident	90.3	Very high	145 Å²	145	70.6 Å²	70.6	63%	0.63	34%	0.341	S	S	*	.	H	α-helix	trans	-70.6	-49.2	176.3	176.4	-174.9	168.6	-175.8	0	110.9	N261 L265 R266 E267	N261-K263 PolarHBondContact O-N 2.9Å; N261-K263 WeakPolarHBondContact OD1-CB 3.23Å; N261-K263 PolarHBondContact OD1-N 3.09Å; N261-K263 VanDerWaalsContact OD1-N 3.14Å; K263-L265 VanDerWaalsContact C-N 3.33Å; K263-L265 PolarHBondContact O-N 2.97Å; K263-R266 WeakPolarHBondContact O-CB 3.5Å; K263-R266 PolarHBondContact O-N 2.86Å; K263-E267 WeakPolarHBondContact CE-OE1 3.41Å; K263-E267 WeakPolarHBondContact CG-OE1 3.39Å; K263-E267 IonicContact NZ-OE1 3.43Å; K263-E267 WeakPolarHBondContact O-CG 3.34Å; K263-E267 PolarHBondContact O-N 2.69Å
264	E	90.8	Very high	90.6	Very high	51 Å²	51	72.3 Å²	72.3	24%	0.238	35%	0.345	C	S	.	.	H	α-helix	trans	-62.9	-40.7	178.2	-165.2	-168.1	-154	0	0	111.6	G259 Q260 N261 E267 R268	G259-E264 WeakPolarHBondContact CA-OE2 3.21Å; Q260-E264 PolarHBondContact N-OE2 2.99Å; N261-E264 PolarHBondContact O-N 3.21Å; N261-E264 PolarHBondContact OD1-N 2.73Å; E264-E267 PolarHBondContact O-N 2.84Å; E264-R268 VanDerWaalsContact CD-NH2 3.33Å; E264-R268 WeakPolarHBondContact O-CG 3.49Å; E264-R268 PolarHBondContact O-N 3.48Å; E264-R268 IonicContact OE1-CZ 2.65Å; E264-R268 IonicContact OE1-NH1 3.17Å; E264-R268 PolarHBondContact OE1-NH1 2.77Å; E264-R268 VanDerWaalsContact OE1-NH1 3.13Å; E264-R268 IonicContact OE1-NH2 3.97Å; E264-R268 PolarHBondContact OE1-NH2 3.07Å; E264-R268 IonicContact OE2-CZ 3.91Å; E264-R268 IonicContact OE2-NH1 3.74Å; E264-R268 PolarHBondContact OE2-NH1 3.42Å; E264-R268 IonicContact OE2-NH2 3.13Å
265	L	90.1	Very high	90.9	Very high	11 Å²	11	78.8 Å²	78.8	6%	0.058	36%	0.361	C	S	.	.	H	α-helix	trans	-60.3	-49.1	172.8	175.8	60.8	0	0	0	111.4	P220 P221 F257 N261 L262 K263 E267 R268 V269	P220-L265 HydrophobicContact CB-CD2 3.91Å; P221-L265 HydrophobicContact CG-CD2 4.23Å; F257-L265 HydrophobicContact CB-CD1 4.14Å; N261-L265 PolarHBondContact O-N 3.11Å; L262-L265 HydrophobicContact CD1-CD2 4.4Å; K263-L265 VanDerWaalsContact C-N 3.33Å; K263-L265 PolarHBondContact O-N 2.97Å; L265-E267 PolarHBondContact O-N 3.5Å; L265-R268 PolarHBondContact O-N 2.82Å; L265-R268 VanDerWaalsContact O-N 3.14Å; L265-V269 HydrophobicContact CD1-CG2 4.02Å; L265-V269 HydrophobicContact CG-CG2 4.42Å; L265-V269 WeakPolarHBondContact O-CG2 3.17Å; L265-V269 PolarHBondContact O-N 3.45Å
266	R	92.3	Very high	91.2	Very high	122 Å²	122	80 Å²	80	46%	0.46	37%	0.366	S	S	.	.	H	α-helix	trans	-56.5	-46.6	176.6	178.4	177.1	-169.1	-155.1	3.9	111.7	F228 L262 K263 R268 V269 L270	F228-R266 HydrophobicContact CB-CG 4.12Å; F228-R266 HydrophobicContact CD1-CB 3.79Å; F228-R266 HydrophobicContact CD1-CG 3.67Å; F228-R266 HydrophobicContact CE1-CB 4Å; F228-R266 HydrophobicContact CE1-CG 4.39Å; F228-R266 HydrophobicContact CG-CG 4.15Å; F228-R266 VanDerWaalsContact O-CZ 3.29Å; F228-R266 PolarHBondContact O-NE 3.3Å; F228-R266 PolarHBondContact O-NH2 3.27Å; L262-R266 WeakPolarHBondContact O-CB 3.41Å; L262-R266 PolarHBondContact O-N 3.27Å; K263-R266 WeakPolarHBondContact O-CB 3.5Å; K263-R266 PolarHBondContact O-N 2.86Å; R266-R268 VanDerWaalsContact C-N 3.3Å; R266-R268 PolarHBondContact O-N 3.3Å; R266-V269 PolarHBondContact O-N 2.88Å; R266-L270 HydrophobicContact CG-CD1 3.81Å; R266-L270 HydrophobicContact CG-CG 4.2Å; R266-L270 WeakPolarHBondContact O-CB 3.4Å; R266-L270 VanDerWaalsContact O-CG 3.23Å; R266-L270 WeakPolarHBondContact O-CG 3.47Å; R266-L270 PolarHBondContact O-N 2.68Å
267	E	95.6	Very high	91.1	Very high	103 Å²	103	79.9 Å²	79.9	48%	0.481	37%	0.366	S	S	.	.	H	α-helix	trans	-62.2	-36	178	-73.4	171.6	-166	0	0	112.4	K263 E264 L265 R271	K263-E267 WeakPolarHBondContact CE-OE1 3.41Å; K263-E267 WeakPolarHBondContact CG-OE1 3.39Å; K263-E267 IonicContact NZ-OE1 3.43Å; K263-E267 WeakPolarHBondContact O-CG 3.34Å; K263-E267 PolarHBondContact O-N 2.69Å; E264-E267 PolarHBondContact O-N 2.84Å; L265-E267 PolarHBondContact O-N 3.5Å; E267-R271 VanDerWaalsContact O-CB 3.23Å; E267-R271 WeakPolarHBondContact O-CB 3.45Å; E267-R271 PolarHBondContact O-N 2.82Å
268	R	94.7	Very high	91.1	Very high	82 Å²	82	89.2 Å²	89.2	31%	0.309	41%	0.407	S	S	.	.	H	α-helix	trans	-71.5	-45.1	174.9	-75.6	170.5	172.3	143	14.3	112.7	F257 D258 E264 L265 R266 R271 G272	F257-R268 HydrophobicContact CB-CB 4.47Å; D258-R268 WeakPolarHBondContact O-CD 3.13Å; D258-R268 PolarHBondContact O-NH1 2.88Å; E264-R268 VanDerWaalsContact CD-NH2 3.33Å; E264-R268 WeakPolarHBondContact O-CG 3.49Å; E264-R268 PolarHBondContact O-N 3.48Å; E264-R268 IonicContact OE1-CZ 2.65Å; E264-R268 IonicContact OE1-NH1 3.17Å; E264-R268 PolarHBondContact OE1-NH1 2.77Å; E264-R268 VanDerWaalsContact OE1-NH1 3.13Å; E264-R268 IonicContact OE1-NH2 3.97Å; E264-R268 PolarHBondContact OE1-NH2 3.07Å; E264-R268 IonicContact OE2-CZ 3.91Å; E264-R268 IonicContact OE2-NH1 3.74Å; E264-R268 PolarHBondContact OE2-NH1 3.42Å; E264-R268 IonicContact OE2-NH2 3.13Å; L265-R268 PolarHBondContact O-N 2.82Å; L265-R268 VanDerWaalsContact O-N 3.14Å; R266-R268 VanDerWaalsContact C-N 3.3Å; R266-R268 PolarHBondContact O-N 3.3Å; R268-R271 PolarHBondContact O-N 2.95Å; R268-G272 PolarHBondContact O-N 3.22Å; R268-G272 VanDerWaalsContact O-N 3.17Å
269	V	96.2	Very high	91.5	Very high	0 Å²	0	88.7 Å²	88.7	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-61.7	-49.8	176.9	168.8	0	0	0	0	111.1	P225 F228 W241 F257 L265 R266 R271 G272 L294	P225-V269 HydrophobicContact CB-CG1 4.09Å; F228-V269 HydrophobicContact CD2-CB 4.28Å; F228-V269 HydrophobicContact CD2-CG1 3.68Å; F228-V269 HydrophobicContact CE2-CB 4.18Å; F228-V269 HydrophobicContact CE2-CG1 3.84Å; F228-V269 HydrophobicContact CE2-CG2 4.1Å; W241-V269 HydrophobicContact CZ2-CG1 4.01Å; F257-V269 HydrophobicContact CB-CG2 3.71Å; F257-V269 HydrophobicContact CD2-CG2 4.07Å; F257-V269 HydrophobicContact CG-CG2 3.96Å; L265-V269 HydrophobicContact CD1-CG2 4.02Å; L265-V269 HydrophobicContact CG-CG2 4.42Å; L265-V269 WeakPolarHBondContact O-CG2 3.17Å; L265-V269 PolarHBondContact O-N 3.45Å; R266-V269 PolarHBondContact O-N 2.88Å; V269-R271 PolarHBondContact O-N 3.36Å; V269-G272 PolarHBondContact O-N 3.33Å; V269-L294 WeakPolarHBondContact O-CD2 3.39Å
270	L	96.8	Very high	92.3	Very high	55 Å²	55	88.5 Å²	88.5	29%	0.288	39%	0.393	S	S	.	.	H	α-helix	trans	-64.8	-24.3	179.4	-66.3	-176.8	0	0	0	113.3	P225 F228 Q229 R266	P225-L270 HydrophobicContact CB-CD2 3.78Å; P225-L270 WeakPolarHBondContact O-CD2 3.2Å; F228-L270 HydrophobicContact CB-CD2 3.94Å; F228-L270 HydrophobicContact CB-CG 4.38Å; Q229-L270 HydrophobicContact CG-CD2 3.83Å; R266-L270 HydrophobicContact CG-CD1 3.81Å; R266-L270 HydrophobicContact CG-CG 4.2Å; R266-L270 WeakPolarHBondContact O-CB 3.4Å; R266-L270 VanDerWaalsContact O-CG 3.23Å; R266-L270 WeakPolarHBondContact O-CG 3.47Å; R266-L270 PolarHBondContact O-N 2.68Å
271	R	97.1	Very high	93.3	Very high	137 Å²	137	81.5 Å²	81.5	52%	0.517	36%	0.364	S	S	.	.	H	α-helix	trans	-80.5	-21.2	173.5	-172.7	173.5	68.4	-152.2	4.3	113.2	E267 R268 V269 K273	E267-R271 VanDerWaalsContact O-CB 3.23Å; E267-R271 WeakPolarHBondContact O-CB 3.45Å; E267-R271 PolarHBondContact O-N 2.82Å; R268-R271 PolarHBondContact O-N 2.95Å; V269-R271 PolarHBondContact O-N 3.36Å; R271-K273 HydrophobicContact CG-CB 4.34Å; R271-K273 HydrophobicContact CG-CD 4.23Å; R271-K273 HydrophobicContact CG-CG 4.2Å; R271-K273 PolarHBondContact O-N 3.46Å
272	G	95.5	Very high	94.1	Very high	14 Å²	14	82 Å²	82	14%	0.144	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	63	11.6	175.3	0	0	0	0	0	116.2	R268 V269	R268-G272 PolarHBondContact O-N 3.22Å; R268-G272 VanDerWaalsContact O-N 3.17Å; V269-G272 PolarHBondContact O-N 3.33Å
273	K	94.4	Very high	94.9	Very high	156 Å²	156	78.7 Å²	78.7	68%	0.678	35%	0.353	S	S	*	.			trans	-99.3	110.9	-176.8	-71	-175.4	-179.8	-174.9	0	111.4	R271	R271-K273 HydrophobicContact CG-CB 4.34Å; R271-K273 HydrophobicContact CG-CD 4.23Å; R271-K273 HydrophobicContact CG-CG 4.2Å; R271-K273 PolarHBondContact O-N 3.46Å
274	Y	96.1	Very high	95.3	Very high	47 Å²	47	71.8 Å²	71.8	18%	0.184	32%	0.323	C	S	.	.			trans	-110	167.2	172.9	53.1	-84	0	0	0	110.9	Y248 P256 F257 I276 L288 L292	Y248-Y274 HydrophobicContact CD2-CD2 4.01Å; Y248-Y274 AromaticContact CE2-CD2 3.89Å; Y248-Y274 HydrophobicContact CE2-CD2 3.89Å; P256-Y274 HydrophobicContact CB-CG 4.33Å; F257-Y274 HydrophobicContact CE1-CD1 4.11Å; F257-Y274 AromaticContact CZ-CD1 3.9Å; F257-Y274 HydrophobicContact CZ-CD1 3.9Å; Y274-I276 HydrophobicContact CD2-CD1 3.85Å; Y274-I276 HydrophobicContact CE2-CD1 3.54Å; Y274-L288 HydrophobicContact CE2-CB 4.2Å; Y274-L288 HydrophobicContact CE2-CD1 4.35Å; Y274-L288 WeakPolarHBondContact OH-CB 3.29Å; Y274-L288 PolarHBondContact OH-O 3.09Å; Y274-L292 HydrophobicContact CD1-CD1 3.86Å; Y274-L292 HydrophobicContact CE1-CB 3.83Å; Y274-L292 HydrophobicContact CE1-CD1 3.64Å; Y274-L292 HydrophobicContact CE1-CG 4.38Å; Y274-L292 HydrophobicContact CE2-CD1 4.4Å; Y274-L292 HydrophobicContact CG-CD1 4.36Å
275	R	94.1	Very high	95.7	Very high	194 Å²	194	71.7 Å²	71.7	73%	0.732	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-92.5	131	-178.1	177.4	-179.5	-179.4	175.7	2	110.6	Y248 P277	Y248-R275 VanDerWaalsContact CE2-O 3.29Å; Y248-R275 WeakPolarHBondContact CE2-O 3.33Å; Y248-R275 PolarHBondContact OH-O 3.44Å; Y248-R275 VanDerWaalsContact OH-O 3.12Å; R275-P277 WeakPolarHBondContact O-CD 3.4Å
276	I	95.9	Very high	96.1	Very high	63 Å²	63	74.2 Å²	74.2	32%	0.323	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-86.9	120.6	167	-51.9	-50	0	0	0	109.1	Y274 M280 E285	Y274-I276 HydrophobicContact CD2-CD1 3.85Å; Y274-I276 HydrophobicContact CE2-CD1 3.54Å; I276-M280 HydrophobicContact CD1-SD 4.16Å; I276-M280 HydrophobicContact CG2-CB 4.34Å; I276-M280 HydrophobicContact CG2-SD 4.01Å; I276-E285 HydrophobicContact CD1-CG 3.79Å; I276-E285 HydrophobicContact CG1-CG 4.03Å; I276-E285 HydrophobicContact CG2-CG 4.4Å
277	P	92.7	Very high	96.4	Very high	12 Å²	12	68.4 Å²	68.4	8%	0.078	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-76.3	146.7	171.9	-13	29.6	0	0	0	111.3	R275 Y279 M280	R275-P277 WeakPolarHBondContact O-CD 3.4Å; P277-Y279 HydrophobicContact CB-CD1 3.93Å; P277-Y279 HydrophobicContact CB-CD2 3.92Å; P277-Y279 HydrophobicContact CB-CE1 3.55Å; P277-Y279 HydrophobicContact CB-CE2 3.52Å; P277-Y279 HydrophobicContact CB-CG 4.12Å; P277-Y279 HydrophobicContact CG-CE1 4.44Å; P277-Y279 HydrophobicContact CG-CE2 3.83Å; P277-Y279 PolarHBondContact O-N 3.25Å; P277-M280 HydrophobicContact CG-CE 4.47Å; P277-M280 WeakPolarHBondContact O-CB 3.46Å; P277-M280 PolarHBondContact O-N 2.98Å
278	F	94.8	Very high	96.6	Very high	200 Å²	200	63.5 Å²	63.5	88%	0.877	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-15.3	180	71.2	-93.8	0	0	0	115.1
279	Y	93.9	Very high	96.7	Very high	78 Å²	78	64.5 Å²	64.5	31%	0.306	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	0.2	-178.7	57.5	-114.5	0	0	0	113.8	R153 S252 P277	R153-Y279 WeakPolarHBondContact CD-OH 3.46Å; R153-Y279 VanDerWaalsContact NH1-CE2 3.34Å; S252-Y279 PolarHBondContact O-OH 3.48Å; P277-Y279 HydrophobicContact CB-CD1 3.93Å; P277-Y279 HydrophobicContact CB-CD2 3.92Å; P277-Y279 HydrophobicContact CB-CE1 3.55Å; P277-Y279 HydrophobicContact CB-CE2 3.52Å; P277-Y279 HydrophobicContact CB-CG 4.12Å; P277-Y279 HydrophobicContact CG-CE1 4.44Å; P277-Y279 HydrophobicContact CG-CE2 3.83Å; P277-Y279 PolarHBondContact O-N 3.25Å
280	M	97.9	Very high	96.8	Very high	17 Å²	17	68.7 Å²	68.7	8%	0.084	32%	0.316	C	S	.	.	S	Bend	trans	-85.7	134	176.9	179.7	-179	-79.1	0	0	109.2	E156 Y248 V251 I276 P277 C284 E285 L288	E156-M280 WeakPolarHBondContact OE1-CA 3.3Å; Y248-M280 HydrophobicContact CD2-CE 4.14Å; Y248-M280 HydrophobicContact CE2-CE 4.3Å; V251-M280 HydrophobicContact CG2-CE 3.64Å; I276-M280 HydrophobicContact CD1-SD 4.16Å; I276-M280 HydrophobicContact CG2-CB 4.34Å; I276-M280 HydrophobicContact CG2-SD 4.01Å; P277-M280 HydrophobicContact CG-CE 4.47Å; P277-M280 WeakPolarHBondContact O-CB 3.46Å; P277-M280 PolarHBondContact O-N 2.98Å; M280-C284 HydrophobicContact CG-CB 3.84Å; M280-E285 HydrophobicContact SD-CB 4.43Å; M280-L288 HydrophobicContact CE-CD1 3.64Å; M280-L288 HydrophobicContact SD-CD1 3.76Å
281	S	98.3	Very high	96.9	Very high	37 Å²	37	66.1 Å²	66.1	26%	0.259	30%	0.302	S	S	.	.			trans	-71	150.2	177.1	72.8	0	0	0	0	111.9	E156 D283 C284 E285	E156-S281 PolarHBondContact OE1-N 3.44Å; E156-S281 PolarHBondContact OE1-OG 3.01Å; E156-S281 WeakPolarHBondContact OE2-CB 3.44Å; E156-S281 PolarHBondContact OE2-OG 2.78Å; S281-D283 PolarHBondContact O-N 3.34Å; S281-C284 WeakPolarHBondContact O-CB 3.39Å; S281-C284 PolarHBondContact O-N 2.8Å; S281-C284 WeakPolarHBondContact OG-CB 3.44Å; S281-C284 PolarHBondContact OG-N 2.93Å; S281-C284 VanDerWaalsContact OG-N 3.08Å; S281-E285 PolarHBondContact O-N 2.94Å
282	T	98.4	Very high	97	Very high	93 Å²	93	60.1 Å²	60.1	57%	0.571	28%	0.28	S	S	*	.	H	α-helix	trans	-59.3	-31.1	174.2	-46.2	0	0	0	0	111.9	E285 N286	T282-E285 PolarHBondContact O-N 2.8Å; T282-N286 VanDerWaalsContact O-CB 3.3Å; T282-N286 WeakPolarHBondContact O-CB 3.25Å; T282-N286 PolarHBondContact O-N 3.25Å; T282-N286 PolarHBondContact O-ND2 3.46Å; T282-N286 VanDerWaalsContact O-ND2 3.15Å
283	D	98.3	Very high	97.1	Very high	35 Å²	35	60.8 Å²	60.8	19%	0.187	28%	0.282	C	S	.	.	H	α-helix	trans	-67.9	-42	174	-67.2	-38.1	0	0	0	111.4	S281 N286 L287 R309 W310	S281-D283 PolarHBondContact O-N 3.34Å; D283-N286 PolarHBondContact O-N 3.12Å; D283-L287 PolarHBondContact O-N 3.31Å; D283-R309 WeakPolarHBondContact OD1-CD 3.49Å; D283-R309 IonicContact OD1-CZ 3.85Å; D283-R309 IonicContact OD1-NE 2.91Å; D283-R309 IonicContact OD1-NH1 3.52Å; D283-R309 PolarHBondContact OD1-NH1 3Å; D283-R309 IonicContact OD2-CZ 2.76Å; D283-R309 IonicContact OD2-NE 3.48Å; D283-R309 IonicContact OD2-NH1 3.58Å; D283-R309 PolarHBondContact OD2-NH1 3.18Å; D283-W310 HydrophobicContact CB-CB 4.04Å; D283-W310 HydrophobicContact CB-CG 4.43Å
284	C	98.6	Very high	97.2	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-40.6	174.5	-170.6	0	0	0	0	111.9	M280 S281 N286 L287 L288 W310	M280-C284 HydrophobicContact CG-CB 3.84Å; S281-C284 WeakPolarHBondContact O-CB 3.39Å; S281-C284 PolarHBondContact O-N 2.8Å; S281-C284 WeakPolarHBondContact OG-CB 3.44Å; S281-C284 PolarHBondContact OG-N 2.93Å; S281-C284 VanDerWaalsContact OG-N 3.08Å; C284-N286 VanDerWaalsContact C-N 3.35Å; C284-L287 PolarHBondContact O-N 3.2Å; C284-L288 WeakPolarHBondContact O-CG 3.34Å; C284-L288 PolarHBondContact O-N 3.49Å; C284-W310 HydrophobicContact CB-CG 4.39Å; C284-W310 VanDerWaalsContact N-CD1 3.3Å
285	E	98.3	Very high	97.2	Very high	49 Å²	49	58.3 Å²	58.3	23%	0.229	28%	0.279	C	S	.	.	H	α-helix	trans	-62	-42.5	174.1	-170.2	-165.9	152.2	0	0	111.3	I276 M280 S281 T282 L288 K289	I276-E285 HydrophobicContact CD1-CG 3.79Å; I276-E285 HydrophobicContact CG1-CG 4.03Å; I276-E285 HydrophobicContact CG2-CG 4.4Å; M280-E285 HydrophobicContact SD-CB 4.43Å; S281-E285 PolarHBondContact O-N 2.94Å; T282-E285 PolarHBondContact O-N 2.8Å; E285-L288 PolarHBondContact O-N 3.37Å; E285-K289 VanDerWaalsContact CD-NZ 3.29Å; E285-K289 WeakPolarHBondContact O-CG 3.15Å; E285-K289 PolarHBondContact O-N 2.99Å; E285-K289 WeakPolarHBondContact OE1-CE 3.18Å; E285-K289 IonicContact OE1-NZ 3.53Å; E285-K289 PolarHBondContact OE1-NZ 3.49Å
286	N	98.5	Very high	97.3	Very high	64 Å²	64	51 Å²	51	34%	0.342	26%	0.256	S	S	.	.	H	α-helix	trans	-68.6	-33.5	179.1	-71.8	-20.9	0	0	0	112.9	T282 D283 C284 K289	T282-N286 VanDerWaalsContact O-CB 3.3Å; T282-N286 WeakPolarHBondContact O-CB 3.25Å; T282-N286 PolarHBondContact O-N 3.25Å; T282-N286 PolarHBondContact O-ND2 3.46Å; T282-N286 VanDerWaalsContact O-ND2 3.15Å; D283-N286 PolarHBondContact O-N 3.12Å; C284-N286 VanDerWaalsContact C-N 3.35Å; N286-K289 PolarHBondContact O-N 3.15Å; N286-K289 PolarHBondContact OD1-NZ 2.88Å
287	L	98.7	Very high	97.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-66.2	-45.9	169.5	175.2	54.4	0	0	0	111.4	F163 L247 D283 C284 K289 K290 L291 I305 D308 W310 M311	F163-L287 HydrophobicContact CE1-CD2 4.32Å; L247-L287 HydrophobicContact CD2-CB 4.49Å; L247-L287 HydrophobicContact CD2-CD2 3.54Å; L247-L287 HydrophobicContact CD2-CG 3.71Å; D283-L287 PolarHBondContact O-N 3.31Å; C284-L287 PolarHBondContact O-N 3.2Å; L287-K289 VanDerWaalsContact C-N 3.25Å; L287-K289 PolarHBondContact O-N 3.46Å; L287-K290 WeakPolarHBondContact O-CB 3.31Å; L287-K290 PolarHBondContact O-N 3.37Å; L287-L291 HydrophobicContact CD1-CD1 4.04Å; L287-L291 HydrophobicContact CD1-CG 4.21Å; L287-L291 HydrophobicContact CG-CD1 4.09Å; L287-L291 PolarHBondContact O-N 2.84Å; L287-I305 HydrophobicContact CD1-CD1 3.85Å; L287-I305 HydrophobicContact CD1-CG2 3.89Å; L287-D308 HydrophobicContact CD1-CB 4.14Å; L287-W310 HydrophobicContact CB-CB 4.23Å; L287-W310 HydrophobicContact CD2-CB 4.07Å; L287-W310 HydrophobicContact CD2-CD2 3.97Å; L287-W310 HydrophobicContact CD2-CE3 3.38Å; L287-W310 HydrophobicContact CD2-CG 4.29Å; L287-W310 HydrophobicContact CD2-CZ3 4.09Å; L287-M311 HydrophobicContact CD2-CG 4.25Å; L287-M311 HydrophobicContact CD2-SD 3.84Å
288	L	98.6	Very high	97.5	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60.1	-34.2	176.1	-72.8	167.8	0	0	0	112.6	G244 L247 Y248 Y274 M280 C284 E285 K290 L291 L292	G244-L288 WeakPolarHBondContact O-CD2 3.29Å; L247-L288 HydrophobicContact CB-CD2 4.2Å; L247-L288 HydrophobicContact CD2-CD2 3.89Å; L247-L288 HydrophobicContact CD2-CG 4.12Å; L247-L288 HydrophobicContact CG-CD2 4.05Å; Y248-L288 HydrophobicContact CD2-CD1 4.06Å; Y274-L288 HydrophobicContact CE2-CB 4.2Å; Y274-L288 HydrophobicContact CE2-CD1 4.35Å; Y274-L288 WeakPolarHBondContact OH-CB 3.29Å; Y274-L288 PolarHBondContact OH-O 3.09Å; M280-L288 HydrophobicContact CE-CD1 3.64Å; M280-L288 HydrophobicContact SD-CD1 3.76Å; C284-L288 WeakPolarHBondContact O-CG 3.34Å; C284-L288 PolarHBondContact O-N 3.49Å; E285-L288 PolarHBondContact O-N 3.37Å; L288-K290 PolarHBondContact O-N 2.95Å; L288-L291 PolarHBondContact O-N 3.15Å; L288-L292 HydrophobicContact CD2-CD1 4.24Å; L288-L292 PolarHBondContact O-N 3.24Å
289	K	98.1	Very high	97.6	Very high	103 Å²	103	53.8 Å²	53.8	45%	0.448	27%	0.27	S	S	.	.	H	α-helix	trans	-65	-18.4	172	-72.7	168.7	-170.7	154.5	0	114.5	E285 N286 L287 V293	E285-K289 VanDerWaalsContact CD-NZ 3.29Å; E285-K289 WeakPolarHBondContact O-CG 3.15Å; E285-K289 PolarHBondContact O-N 2.99Å; E285-K289 WeakPolarHBondContact OE1-CE 3.18Å; E285-K289 IonicContact OE1-NZ 3.53Å; E285-K289 PolarHBondContact OE1-NZ 3.49Å; N286-K289 PolarHBondContact O-N 3.15Å; N286-K289 PolarHBondContact OD1-NZ 2.88Å; L287-K289 VanDerWaalsContact C-N 3.25Å; L287-K289 PolarHBondContact O-N 3.46Å; K289-V293 WeakPolarHBondContact O-CG2 3.48Å
290	K	98.4	Very high	97.7	Very high	89 Å²	89	50.6 Å²	50.6	39%	0.387	26%	0.261	S	S	.	.	H	α-helix	trans	-90.6	-28.3	174.3	-64.6	173.3	177.2	-179.6	0	112.9	L287 L288 G300 I305 D308	L287-K290 WeakPolarHBondContact O-CB 3.31Å; L287-K290 PolarHBondContact O-N 3.37Å; L288-K290 PolarHBondContact O-N 2.95Å; K290-G300 PolarHBondContact O-N 2.81Å; K290-G300 VanDerWaalsContact O-N 3.07Å; K290-I305 HydrophobicContact CB-CD1 3.64Å; K290-I305 HydrophobicContact CD-CD1 4.28Å; K290-D308 WeakPolarHBondContact CE-OD2 3.4Å; K290-D308 IonicContact NZ-OD2 2.64Å; K290-D308 PolarHBondContact NZ-OD2 3.07Å
291	L	98.5	Very high	97.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-88.2	-49.9	-178.5	-61	172.3	0	0	0	112.3	F163 V240 L247 L287 L288 V293 R299 I305	F163-L291 HydrophobicContact CE1-CD1 4.21Å; F163-L291 HydrophobicContact CZ-CD1 3.94Å; V240-L291 HydrophobicContact CG1-CD2 3.56Å; L247-L291 HydrophobicContact CD2-CD1 3.92Å; L287-L291 HydrophobicContact CD1-CD1 4.04Å; L287-L291 HydrophobicContact CD1-CG 4.21Å; L287-L291 HydrophobicContact CG-CD1 4.09Å; L287-L291 PolarHBondContact O-N 2.84Å; L288-L291 PolarHBondContact O-N 3.15Å; L291-V293 PolarHBondContact O-N 3.05Å; L291-R299 VanDerWaalsContact O-CD 3.22Å; L291-R299 WeakPolarHBondContact O-CD 3.38Å; L291-R299 VanDerWaalsContact O-CG 3.24Å; L291-R299 WeakPolarHBondContact O-CG 3.45Å; L291-I305 HydrophobicContact CD2-CD1 3.57Å; L291-I305 HydrophobicContact CD2-CG1 3.79Å; L291-I305 HydrophobicContact CD2-CG2 4.27Å; L291-I305 HydrophobicContact CG-CD1 4.1Å
292	L	98.4	Very high	97.6	Very high	11 Å²	11	50.8 Å²	50.8	6%	0.058	26%	0.263	C	S	.	.	S	Bend	trans	-88.4	48.3	-174.7	-63.2	179.6	0	0	0	112.4	W241 V245 P256 F257 Y274 L288	W241-L292 HydrophobicContact CD2-CD2 3.93Å; W241-L292 HydrophobicContact CE3-CB 4.5Å; W241-L292 HydrophobicContact CE3-CD2 4.12Å; W241-L292 HydrophobicContact CG-CD2 4.4Å; W241-L292 HydrophobicContact CH2-CD2 4.49Å; W241-L292 HydrophobicContact CZ2-CD2 4.32Å; W241-L292 VanDerWaalsContact CZ3-C 3.45Å; W241-L292 HydrophobicContact CZ3-CB 4.25Å; W241-L292 HydrophobicContact CZ3-CD2 4.4Å; V245-L292 HydrophobicContact CG2-CD2 3.99Å; P256-L292 HydrophobicContact CB-CD1 4.44Å; F257-L292 HydrophobicContact CE2-CD1 4.4Å; F257-L292 HydrophobicContact CE2-CD2 4.23Å; F257-L292 HydrophobicContact CZ-CD1 4.39Å; Y274-L292 HydrophobicContact CD1-CD1 3.86Å; Y274-L292 HydrophobicContact CE1-CB 3.83Å; Y274-L292 HydrophobicContact CE1-CD1 3.64Å; Y274-L292 HydrophobicContact CE1-CG 4.38Å; Y274-L292 HydrophobicContact CE2-CD1 4.4Å; Y274-L292 HydrophobicContact CG-CD1 4.36Å; L288-L292 HydrophobicContact CD2-CD1 4.24Å; L288-L292 PolarHBondContact O-N 3.24Å
293	V	98.2	Very high	97.4	Very high	28 Å²	28	51.5 Å²	51.5	17%	0.17	26%	0.26	C	S	.	.			trans	-90.2	125	179.2	-173	0	0	0	0	110.6	K289 L291 N295 K298 R299	K289-V293 WeakPolarHBondContact O-CG2 3.48Å; L291-V293 PolarHBondContact O-N 3.05Å; V293-N295 VanDerWaalsContact C-N 3.31Å; V293-N295 WeakPolarHBondContact CG1-O 3.43Å; V293-N295 PolarHBondContact O-N 3.14Å; V293-K298 HydrophobicContact CG1-CB 3.83Å; V293-R299 HydrophobicContact CB-CB 4.16Å; V293-R299 HydrophobicContact CB-CG 4.17Å; V293-R299 HydrophobicContact CG2-CG 4.49Å; V293-R299 PolarHBondContact O-NE 2.69Å; V293-R299 PolarHBondContact O-NH2 2.67Å
294	L	97.3	Very high	97.4	Very high	80 Å²	80	55.6 Å²	55.6	42%	0.419	28%	0.278	S	S	.	.	S	Bend	trans	-65.1	-28.3	-178.9	-72.1	178.8	0	0	0	114.4	P225 W241 V269	P225-L294 HydrophobicContact CB-CD2 4.05Å; P225-L294 HydrophobicContact CG-CD2 3.87Å; W241-L294 HydrophobicContact CH2-CD2 4.03Å; W241-L294 HydrophobicContact CZ3-CD2 4.25Å; V269-L294 WeakPolarHBondContact O-CD2 3.39Å
295	N	96.4	Very high	97.3	Very high	72 Å²	72	55.6 Å²	55.6	39%	0.385	28%	0.278	S	S	.	.	S	Bend	trans	-95.1	115.5	173.2	-178.7	-26.8	0	0	0	108.7	V293 I297 K298 R299	V293-N295 VanDerWaalsContact C-N 3.31Å; V293-N295 WeakPolarHBondContact CG1-O 3.43Å; V293-N295 PolarHBondContact O-N 3.14Å; N295-I297 VanDerWaalsContact C-N 3.28Å; N295-I297 PolarHBondContact O-N 3.45Å; N295-I297 WeakPolarHBondContact OD1-CB 3.46Å; N295-I297 PolarHBondContact OD1-N 3.38Å; N295-K298 HydrophobicContact CB-CB 4.28Å; N295-K298 HydrophobicContact CB-CD 4.5Å; N295-K298 HydrophobicContact CB-CG 4.31Å; N295-K298 PolarHBondContact O-N 3.41Å; N295-R299 PolarHBondContact O-N 3.27Å
296	P	95.8	Very high	97.3	Very high	40 Å²	40	53.3 Å²	53.3	26%	0.26	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-58.8	-36.2	-176.7	21	-32.3	0	0	0	113.5	E237 K298 R299	E237-P296 HydrophobicContact CB-CB 4.13Å; E237-P296 HydrophobicContact CG-CB 3.68Å; P296-K298 PolarHBondContact O-N 2.89Å; P296-R299 WeakPolarHBondContact O-CB 3.22Å; P296-R299 PolarHBondContact O-N 3.24Å
297	I	94.7	Very high	97.2	Very high	156 Å²	156	56.8 Å²	56.8	80%	0.8	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-68.1	-20	-179.7	-52.5	172.4	0	0	0	111.6	N295	N295-I297 VanDerWaalsContact C-N 3.28Å; N295-I297 PolarHBondContact O-N 3.45Å; N295-I297 WeakPolarHBondContact OD1-CB 3.46Å; N295-I297 PolarHBondContact OD1-N 3.38Å
298	K	96.7	Very high	97.2	Very high	161 Å²	161	57.1 Å²	57.1	70%	0.7	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-99.1	2.9	176.1	-63.2	-168.9	176.7	-169.8	0	113.3	V293 N295 P296	V293-K298 HydrophobicContact CG1-CB 3.83Å; N295-K298 HydrophobicContact CB-CB 4.28Å; N295-K298 HydrophobicContact CB-CD 4.5Å; N295-K298 HydrophobicContact CB-CG 4.31Å; N295-K298 PolarHBondContact O-N 3.41Å; P296-K298 PolarHBondContact O-N 2.89Å
299	R	97.6	Very high	97.1	Very high	16 Å²	16	65.3 Å²	65.3	6%	0.06	31%	0.312	C	S	.	.	S	Bend	trans	-82.5	136.9	177.2	-154.1	176.2	-66.3	146.4	3.9	108.5	E226 E237 V240 L291 V293 N295 P296	E226-R299 IonicContact OE1-CZ 2.76Å; E226-R299 IonicContact OE1-NH1 2.95Å; E226-R299 PolarHBondContact OE1-NH1 3.45Å; E226-R299 IonicContact OE1-NH2 2.69Å; E226-R299 PolarHBondContact OE1-NH2 3.18Å; E226-R299 VanDerWaalsContact OE1-NH2 3.15Å; E226-R299 IonicContact OE2-CZ 3.94Å; E226-R299 IonicContact OE2-NH1 2.71Å; E226-R299 IonicContact OE2-NH2 3.15Å; E226-R299 PolarHBondContact OE2-NH2 3.36Å; E237-R299 VanDerWaalsContact C-NH1 3.3Å; E237-R299 WeakPolarHBondContact O-CD 3.48Å; E237-R299 PolarHBondContact O-NH1 3.28Å; V240-R299 HydrophobicContact CB-CG 4.39Å; V240-R299 HydrophobicContact CG1-CG 3.77Å; L291-R299 VanDerWaalsContact O-CD 3.22Å; L291-R299 WeakPolarHBondContact O-CD 3.38Å; L291-R299 VanDerWaalsContact O-CG 3.24Å; L291-R299 WeakPolarHBondContact O-CG 3.45Å; V293-R299 HydrophobicContact CB-CB 4.16Å; V293-R299 HydrophobicContact CB-CG 4.17Å; V293-R299 HydrophobicContact CG2-CG 4.49Å; V293-R299 PolarHBondContact O-NE 2.69Å; V293-R299 PolarHBondContact O-NH2 2.67Å; N295-R299 PolarHBondContact O-N 3.27Å; P296-R299 WeakPolarHBondContact O-CB 3.22Å; P296-R299 PolarHBondContact O-N 3.24Å
300	G	95.4	Very high	97.1	Very high	11 Å²	11	60.4 Å²	60.4	11%	0.113	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-68.3	138.3	-175.8	0	0	0	0	0	112.2	V240 K290	V240-G300 WeakPolarHBondContact CG1-O 3.43Å; K290-G300 PolarHBondContact O-N 2.81Å; K290-G300 VanDerWaalsContact O-N 3.07Å
301	S	96.1	Very high	97.1	Very high	51 Å²	51	56.2 Å²	56.2	36%	0.357	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-68.9	154.8	172.1	73.7	0	0	0	0	110.6	E303 Q304 I305	S301-E303 PolarHBondContact O-N 2.98Å; S301-Q304 WeakPolarHBondContact O-CA 3.4Å; S301-Q304 WeakPolarHBondContact O-CB 3.22Å; S301-Q304 PolarHBondContact O-N 3.24Å; S301-Q304 WeakPolarHBondContact OG-CG 3.44Å; S301-I305 WeakPolarHBondContact O-CG1 3.25Å; S301-I305 PolarHBondContact O-N 3.01Å
302	L	97.7	Very high	97	Very high	8 Å²	8	57.2 Å²	57.2	4%	0.042	28%	0.278	C	S	.	.	H	α-helix	trans	-61.1	-31.1	-178	-68.3	-174.9	0	0	0	113.1	V167 V170 Q171 V240 L243 Q304 I305 M306	V167-L302 HydrophobicContact CG1-CD2 4.44Å; V170-L302 HydrophobicContact CB-CD1 3.92Å; V170-L302 HydrophobicContact CG1-CD1 3.68Å; Q171-L302 HydrophobicContact CB-CB 3.87Å; Q171-L302 HydrophobicContact CB-CD1 4.03Å; Q171-L302 HydrophobicContact CG-CB 4.08Å; V240-L302 HydrophobicContact CG2-CD2 3.84Å; V240-L302 HydrophobicContact CG2-CG 3.95Å; L243-L302 HydrophobicContact CD1-CD1 4.05Å; L243-L302 HydrophobicContact CD1-CD2 3.79Å; L302-Q304 VanDerWaalsContact C-N 3.28Å; L302-Q304 PolarHBondContact O-N 3.28Å; L302-I305 HydrophobicContact CD2-CB 4.42Å; L302-I305 HydrophobicContact CD2-CG1 4.45Å; L302-I305 PolarHBondContact O-N 2.95Å; L302-I305 VanDerWaalsContact O-N 3.14Å; L302-M306 WeakPolarHBondContact O-CB 3.44Å; L302-M306 WeakPolarHBondContact O-CG 3.32Å; L302-M306 PolarHBondContact O-N 3.13Å
303	E	95.8	Very high	96.9	Very high	108 Å²	108	59.4 Å²	59.4	51%	0.505	29%	0.291	S	S	.	.	H	α-helix	trans	-63.9	-29.4	172.2	-62.6	177.9	-178.6	0	0	113.8	Q171 S301 K307	Q171-E303 HydrophobicContact CG-CG 4.42Å; S301-E303 PolarHBondContact O-N 2.98Å; E303-K307 WeakPolarHBondContact O-CG 3.34Å
304	Q	96.7	Very high	96.6	Very high	120 Å²	120	60.7 Å²	60.7	56%	0.561	31%	0.31	S	S	*	.	H	α-helix	trans	-80.2	-32.7	172.4	-65.3	167.9	-12.2	0	0	111.6	S301 L302	S301-Q304 WeakPolarHBondContact O-CA 3.4Å; S301-Q304 WeakPolarHBondContact O-CB 3.22Å; S301-Q304 PolarHBondContact O-N 3.24Å; S301-Q304 WeakPolarHBondContact OG-CG 3.44Å; L302-Q304 VanDerWaalsContact C-N 3.28Å; L302-Q304 PolarHBondContact O-N 3.28Å
305	I	98.2	Very high	96.2	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-70.7	-39.7	176.5	-64.9	-63.8	0	0	0	111.4	V167 L287 K290 L291 S301 L302 K307 D308 M311	V167-I305 HydrophobicContact CG1-CG2 4.5Å; L287-I305 HydrophobicContact CD1-CD1 3.85Å; L287-I305 HydrophobicContact CD1-CG2 3.89Å; K290-I305 HydrophobicContact CB-CD1 3.64Å; K290-I305 HydrophobicContact CD-CD1 4.28Å; L291-I305 HydrophobicContact CD2-CD1 3.57Å; L291-I305 HydrophobicContact CD2-CG1 3.79Å; L291-I305 HydrophobicContact CD2-CG2 4.27Å; L291-I305 HydrophobicContact CG-CD1 4.1Å; S301-I305 WeakPolarHBondContact O-CG1 3.25Å; S301-I305 PolarHBondContact O-N 3.01Å; L302-I305 HydrophobicContact CD2-CB 4.42Å; L302-I305 HydrophobicContact CD2-CG1 4.45Å; L302-I305 PolarHBondContact O-N 2.95Å; L302-I305 VanDerWaalsContact O-N 3.14Å; I305-K307 PolarHBondContact O-N 2.82Å; I305-D308 WeakPolarHBondContact O-CB 3.47Å; I305-D308 PolarHBondContact O-N 2.84Å; I305-M311 VanDerWaalsContact O-CG 3.26Å; I305-M311 WeakPolarHBondContact O-CG 3.29Å
306	M	97.8	Very high	95.6	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-57.3	-32.5	177.3	-74.5	167.3	119.6	0	0	112.5	V167 Q171 L302 D308 N312 L320 K321 P322	V167-M306 HydrophobicContact CG1-CG 3.55Å; Q171-M306 HydrophobicContact CB-CE 4.19Å; Q171-M306 HydrophobicContact CB-SD 4.07Å; Q171-M306 HydrophobicContact CG-CE 4.29Å; Q171-M306 HydrophobicContact CG-SD 3.77Å; L302-M306 WeakPolarHBondContact O-CB 3.44Å; L302-M306 WeakPolarHBondContact O-CG 3.32Å; L302-M306 PolarHBondContact O-N 3.13Å; M306-D308 VanDerWaalsContact C-N 3.32Å; M306-N312 PolarHBondContact O-ND2 3Å; M306-L320 HydrophobicContact CB-CB 4.45Å; M306-L320 HydrophobicContact CB-CD2 4.28Å; M306-L320 HydrophobicContact CB-CG 4.23Å; M306-L320 HydrophobicContact CE-CD1 4.4Å; M306-L320 HydrophobicContact CE-CD2 4.45Å; M306-L320 HydrophobicContact CE-CG 4Å; M306-L320 HydrophobicContact CG-CD2 3.93Å; M306-L320 HydrophobicContact CG-CG 4.04Å; M306-K321 VanDerWaalsContact CE-O 3.27Å; M306-K321 WeakPolarHBondContact CE-O 3.35Å; M306-P322 HydrophobicContact SD-CG 4.46Å
307	K	96.9	Very high	95	Very high	137 Å²	137	72.2 Å²	72.2	60%	0.596	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	8.9	177	-53.9	-179.4	-174.6	178.1	0	113.5	E303 I305 E319	E303-K307 WeakPolarHBondContact O-CG 3.34Å; I305-K307 PolarHBondContact O-N 2.82Å; K307-E319 WeakPolarHBondContact CG-OE1 3.4Å
308	D	97.9	Very high	94.6	Very high	7 Å²	7	72.2 Å²	72.2	4%	0.037	35%	0.353	C	S	.	.			trans	-69.5	145.2	177.9	-173.9	-94.5	0	0	0	111.4	L287 K290 I305 M306 W310 M311 N312	L287-D308 HydrophobicContact CD1-CB 4.14Å; K290-D308 WeakPolarHBondContact CE-OD2 3.4Å; K290-D308 IonicContact NZ-OD2 2.64Å; K290-D308 PolarHBondContact NZ-OD2 3.07Å; I305-D308 WeakPolarHBondContact O-CB 3.47Å; I305-D308 PolarHBondContact O-N 2.84Å; M306-D308 VanDerWaalsContact C-N 3.32Å; D308-W310 VanDerWaalsContact C-N 3.29Å; D308-W310 PolarHBondContact O-N 3.14Å; D308-W310 WeakPolarHBondContact OD1-CB 3.37Å; D308-W310 PolarHBondContact OD1-N 2.91Å; D308-M311 HydrophobicContact CB-CG 4.08Å; D308-M311 WeakPolarHBondContact O-CB 3.5Å; D308-M311 PolarHBondContact O-N 2.71Å; D308-M311 VanDerWaalsContact O-N 3.12Å; D308-N312 PolarHBondContact O-N 3.46Å; D308-N312 PolarHBondContact O-ND2 2.84Å
309	R	97.1	Very high	94.4	Very high	172 Å²	172	68.2 Å²	68.2	65%	0.649	34%	0.336	S	S	*	.	H	α-helix	trans	-55	-45.1	178.8	-175.1	175.9	-176.4	-136	5.5	111.6	D283 M311 N312 V313	D283-R309 WeakPolarHBondContact OD1-CD 3.49Å; D283-R309 IonicContact OD1-CZ 3.85Å; D283-R309 IonicContact OD1-NE 2.91Å; D283-R309 IonicContact OD1-NH1 3.52Å; D283-R309 PolarHBondContact OD1-NH1 3Å; D283-R309 IonicContact OD2-CZ 2.76Å; D283-R309 IonicContact OD2-NE 3.48Å; D283-R309 IonicContact OD2-NH1 3.58Å; D283-R309 PolarHBondContact OD2-NH1 3.18Å; R309-M311 VanDerWaalsContact C-N 3.28Å; R309-M311 PolarHBondContact O-N 2.95Å; R309-N312 PolarHBondContact O-N 2.88Å; R309-V313 HydrophobicContact CG-CG2 4.5Å; R309-V313 WeakPolarHBondContact O-CG2 3.16Å; R309-V313 PolarHBondContact O-N 2.9Å
310	W	98.2	Very high	94.2	Very high	1 Å²	1	69 Å²	69	0%	0.004	34%	0.342	C	S	.	.	H	α-helix	trans	-65.5	-30.1	-178.5	-171.9	87.7	0	0	0	112.8	E156 A159 R160 F163 L247 V251 D283 C284 L287 D308 N312	E156-W310 HydrophobicContact CB-CZ2 3.89Å; E156-W310 HydrophobicContact CG-CZ2 4.17Å; E156-W310 PolarHBondContact OE2-NE1 2.86Å; A159-W310 HydrophobicContact CB-CH2 4.24Å; R160-W310 HydrophobicContact CB-CH2 3.81Å; R160-W310 HydrophobicContact CB-CZ2 4.29Å; R160-W310 HydrophobicContact CB-CZ3 3.95Å; R160-W310 HydrophobicContact CG-CZ3 4.41Å; R160-W310 PolarHBondContact NE-O 3.34Å; R160-W310 PolarHBondContact NH2-O 2.81Å; F163-W310 HydrophobicContact CB-CZ3 4.42Å; F163-W310 HydrophobicContact CD1-CZ3 4.14Å; L247-W310 HydrophobicContact CD1-CH2 3.52Å; L247-W310 HydrophobicContact CD1-CZ2 4.22Å; L247-W310 HydrophobicContact CD1-CZ3 3.75Å; V251-W310 HydrophobicContact CG1-CZ2 4.35Å; D283-W310 HydrophobicContact CB-CB 4.04Å; D283-W310 HydrophobicContact CB-CG 4.43Å; C284-W310 HydrophobicContact CB-CG 4.39Å; C284-W310 VanDerWaalsContact N-CD1 3.3Å; L287-W310 HydrophobicContact CB-CB 4.23Å; L287-W310 HydrophobicContact CD2-CB 4.07Å; L287-W310 HydrophobicContact CD2-CD2 3.97Å; L287-W310 HydrophobicContact CD2-CE3 3.38Å; L287-W310 HydrophobicContact CD2-CG 4.29Å; L287-W310 HydrophobicContact CD2-CZ3 4.09Å; D308-W310 VanDerWaalsContact C-N 3.29Å; D308-W310 PolarHBondContact O-N 3.14Å; D308-W310 WeakPolarHBondContact OD1-CB 3.37Å; D308-W310 PolarHBondContact OD1-N 2.91Å; W310-N312 VanDerWaalsContact C-N 3.32Å; W310-N312 PolarHBondContact O-N 2.81Å
311	M	97.5	Very high	94.2	Very high	1 Å²	1	74.5 Å²	74.5	1%	0.005	36%	0.362	C	S	.	.	H	α-helix	trans	-67.8	-33.4	178.2	-65.3	-60.4	-71.4	0	0	112.2	R160 F163 V167 L287 I305 D308 R309 L320	R160-M311 WeakPolarHBondContact CD-O 3.4Å; R160-M311 WeakPolarHBondContact CG-O 3.42Å; F163-M311 HydrophobicContact CD1-CE 3.9Å; F163-M311 HydrophobicContact CD1-SD 3.56Å; F163-M311 VanDerWaalsContact CD1-SD 3.56Å; F163-M311 HydrophobicContact CE1-CE 4.47Å; F163-M311 HydrophobicContact CE1-SD 4Å; V167-M311 HydrophobicContact CB-CE 4.08Å; V167-M311 HydrophobicContact CG1-CE 4.41Å; V167-M311 HydrophobicContact CG2-CE 3.95Å; L287-M311 HydrophobicContact CD2-CG 4.25Å; L287-M311 HydrophobicContact CD2-SD 3.84Å; I305-M311 VanDerWaalsContact O-CG 3.26Å; I305-M311 WeakPolarHBondContact O-CG 3.29Å; D308-M311 HydrophobicContact CB-CG 4.08Å; D308-M311 WeakPolarHBondContact O-CB 3.5Å; D308-M311 PolarHBondContact O-N 2.71Å; D308-M311 VanDerWaalsContact O-N 3.12Å; R309-M311 VanDerWaalsContact C-N 3.28Å; R309-M311 PolarHBondContact O-N 2.95Å; M311-L320 HydrophobicContact CE-CD2 3.66Å
312	N	97.1	Very high	94.2	Very high	20 Å²	20	74.5 Å²	74.5	11%	0.107	36%	0.361	C	S	.	.	H	α-helix	trans	-108.9	2.2	-167.1	-59.6	-73.8	0	0	0	114.8	M306 D308 R309 W310 G314 H315 E319 L320	M306-N312 PolarHBondContact O-ND2 3Å; D308-N312 PolarHBondContact O-N 3.46Å; D308-N312 PolarHBondContact O-ND2 2.84Å; R309-N312 PolarHBondContact O-N 2.88Å; W310-N312 VanDerWaalsContact C-N 3.32Å; W310-N312 PolarHBondContact O-N 2.81Å; N312-G314 PolarHBondContact O-N 3.11Å; N312-G314 VanDerWaalsContact O-N 3.16Å; N312-H315 CarbonylContact O-C 3.59Å; N312-H315 WeakPolarHBondContact O-CA 3.49Å; N312-H315 PolarHBondContact O-N 2.94Å; N312-E319 WeakPolarHBondContact OD1-CA 3.42Å; N312-L320 PolarHBondContact OD1-N 3.07Å
313	V	95.6	Very high	94.2	Very high	57 Å²	57	76.8 Å²	76.8	35%	0.345	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	118	175.3	-177.6	0	0	0	0	111	R160 R309	R160-V313 PolarHBondContact NH1-O 3.13Å; R309-V313 HydrophobicContact CG-CG2 4.5Å; R309-V313 WeakPolarHBondContact O-CG2 3.16Å; R309-V313 PolarHBondContact O-N 2.9Å
314	G	91.1	Very high	94.2	Very high	55 Å²	55	77.4 Å²	77.4	57%	0.567	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	13.9	-174.1	0	0	0	0	0	114.5	N312 E316	N312-G314 PolarHBondContact O-N 3.11Å; N312-G314 VanDerWaalsContact O-N 3.16Å; G314-E316 VanDerWaalsContact C-OE2 3.28Å; G314-E316 WeakPolarHBondContact CA-OE2 3.33Å; G314-E316 PolarHBondContact N-OE1 2.69Å; G314-E316 PolarHBondContact N-OE2 2.72Å
315	H	89.9	Confident	94.1	Very high	89 Å²	89	74.6 Å²	74.6	41%	0.412	37%	0.368	S	S	.	.			trans	-135.7	33	176.2	-68.3	-89.5	0	0	0	110.7	N312 E317 E318 E319	N312-H315 CarbonylContact O-C 3.59Å; N312-H315 WeakPolarHBondContact O-CA 3.49Å; N312-H315 PolarHBondContact O-N 2.94Å; H315-E317 PolarHBondContact O-N 3.2Å; H315-E318 CarbonylContact O-C 3.52Å; H315-E318 PolarHBondContact O-N 3.42Å; H315-E319 PolarHBondContact O-N 2.88Å
316	E	83.6	Confident	93.7	Very high	143 Å²	143	78.2 Å²	78.2	67%	0.668	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-27.6	-171.1	-66.8	75	-166.1	0	0	113.8	G314	G314-E316 VanDerWaalsContact C-OE2 3.28Å; G314-E316 WeakPolarHBondContact CA-OE2 3.33Å; G314-E316 PolarHBondContact N-OE1 2.69Å; G314-E316 PolarHBondContact N-OE2 2.72Å
317	E	82.8	Confident	93.3	Very high	202 Å²	202	85.6 Å²	85.6	94%	0.944	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-19.9	176.6	-61.8	-178.8	171.2	0	0	113.2	H315	H315-E317 PolarHBondContact O-N 3.2Å
318	E	87.4	Confident	92.7	Very high	156 Å²	156	82.7 Å²	82.7	73%	0.729	43%	0.426	S	S	*	.	S	Bend	trans	-133.4	55.6	-168.4	-158.3	171.1	-131.4	0	0	110.8	H315 L320	H315-E318 CarbonylContact O-C 3.52Å; H315-E318 PolarHBondContact O-N 3.42Å; E318-L320 PolarHBondContact O-N 2.97Å
319	E	91.4	Very high	92.2	Very high	77 Å²	77	86.1 Å²	86.1	36%	0.36	45%	0.445	S	S	.	.			trans	-51.3	135.3	178.4	-172.5	-168.4	-155.2	0	0	111.9	K307 N312 H315 K321	K307-E319 WeakPolarHBondContact CG-OE1 3.4Å; N312-E319 WeakPolarHBondContact OD1-CA 3.42Å; H315-E319 PolarHBondContact O-N 2.88Å; E319-K321 WeakPolarHBondContact O-CD 3.5Å; E319-K321 WeakPolarHBondContact O-CE 3.35Å; E319-K321 WeakPolarHBondContact O-CG 3.47Å; E319-K321 PolarHBondContact O-N 3.24Å
320	L	93.9	Very high	91.7	Very high	32 Å²	32	80.2 Å²	80.2	17%	0.168	42%	0.423	C	S	.	.			trans	-61.8	120.4	-179.8	-175.2	62.8	0	0	0	111.3	V167 M306 M311 N312 E318	V167-L320 HydrophobicContact CG1-CD2 4.34Å; M306-L320 HydrophobicContact CB-CB 4.45Å; M306-L320 HydrophobicContact CB-CD2 4.28Å; M306-L320 HydrophobicContact CB-CG 4.23Å; M306-L320 HydrophobicContact CE-CD1 4.4Å; M306-L320 HydrophobicContact CE-CD2 4.45Å; M306-L320 HydrophobicContact CE-CG 4Å; M306-L320 HydrophobicContact CG-CD2 3.93Å; M306-L320 HydrophobicContact CG-CG 4.04Å; M311-L320 HydrophobicContact CE-CD2 3.66Å; N312-L320 PolarHBondContact OD1-N 3.07Å; E318-L320 PolarHBondContact O-N 2.97Å
321	K	94.9	Very high	91.4	Very high	127 Å²	127	86.3 Å²	86.3	55%	0.552	46%	0.456	S	S	*	.			trans	-121.5	156.7	-176.5	-73	152.8	-167.7	164.6	0	111.2	M306 E319 Y323	M306-K321 VanDerWaalsContact CE-O 3.27Å; M306-K321 WeakPolarHBondContact CE-O 3.35Å; E319-K321 WeakPolarHBondContact O-CD 3.5Å; E319-K321 WeakPolarHBondContact O-CE 3.35Å; E319-K321 WeakPolarHBondContact O-CG 3.47Å; E319-K321 PolarHBondContact O-N 3.24Å; K321-Y323 PolarHBondContact O-N 2.94Å
322	P	96.8	Very high	91.2	Very high	51 Å²	51	88.2 Å²	88.2	33%	0.331	47%	0.466	S	S	.	.			trans	-46	135.6	169.8	-32.9	39.1	0	0	0	112.9	M306 T324	M306-P322 HydrophobicContact SD-CG 4.46Å; P322-T324 PolarHBondContact O-N 2.94Å
323	Y	97.4	Very high	91	Very high	57 Å²	57	90.9 Å²	90.9	22%	0.224	48%	0.484	C	S	.	.			trans	-76.4	113.2	-177.9	179	-99.1	0	0	0	111	H116 P117 Y172 K321 E325 P326	H116-Y323 HydrophobicContact CB-CE1 4.49Å; H116-Y323 AromaticContact CD2-CD1 3.4Å; H116-Y323 VanDerWaalsContact CD2-CD1 3.4Å; H116-Y323 WeakPolarHBondContact CD2-CD1 3.33Å; H116-Y323 AromaticContact CD2-CD2 3.97Å; H116-Y323 AromaticContact CD2-CE1 3.95Å; H116-Y323 AromaticContact CD2-CG 3.4Å; H116-Y323 AromaticContact NE2-CG 3.75Å; P117-Y323 VanDerWaalsContact CD-CZ 3.49Å; P117-Y323 HydrophobicContact CG-CE2 4.06Å; Y172-Y323 AromaticContact CD2-CD1 3.72Å; Y172-Y323 HydrophobicContact CD2-CD1 3.72Å; Y172-Y323 HydrophobicContact CE2-CD1 4.06Å; Y172-Y323 HydrophobicContact CE2-CE1 4.45Å; Y172-Y323 HydrophobicContact CG-CD1 4.33Å; K321-Y323 PolarHBondContact O-N 2.94Å; Y323-E325 HydrophobicContact CE1-CB 4.27Å; Y323-P326 VanDerWaalsContact OH-CD 3.29Å; Y323-P326 WeakPolarHBondContact OH-CD 3.43Å
324	T	96.3	Very high	91	Very high	121 Å²	121	95.5 Å²	95.5	74%	0.742	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-79.2	121.1	167.6	-52.2	0	0	0	0	109.2	P322	P322-T324 PolarHBondContact O-N 2.94Å
325	E	93.3	Very high	91.2	Very high	61 Å²	61	95 Å²	95	29%	0.285	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-71.6	132	175.2	-169.2	174.1	157.4	0	0	110.6	N115 Y172 K176 Y323	N115-E325 HydrophobicContact CB-CG 4.47Å; N115-E325 VanDerWaalsContact CB-OE1 3.27Å; N115-E325 WeakPolarHBondContact CB-OE1 3.44Å; N115-E325 PolarHBondContact ND2-OE1 2.76Å; Y172-E325 HydrophobicContact CE2-CB 4.24Å; Y172-E325 WeakPolarHBondContact CE2-OE2 3.28Å; Y172-E325 PolarHBondContact OH-OE2 3.41Å; K176-E325 WeakPolarHBondContact CE-OE2 3.38Å; K176-E325 IonicContact NZ-OE1 2.75Å; K176-E325 IonicContact NZ-OE2 2.68Å; K176-E325 PolarHBondContact NZ-OE2 3.4Å; Y323-E325 HydrophobicContact CE1-CB 4.27Å
326	P	91.4	Very high	91.5	Very high	76 Å²	76	91 Å²	91	49%	0.494	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-73.3	148.1	174.3	31.2	-35.3	0	0	0	111.1	Y323	Y323-P326 VanDerWaalsContact OH-CD 3.29Å; Y323-P326 WeakPolarHBondContact OH-CD 3.43Å
327	D	88	Confident	92.1	Very high	156 Å²	156	87.7 Å²	87.7	83%	0.834	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-55.2	138.1	176.1	-63.4	-68.5	0	0	0	111.8	D329	D327-D329 PolarHBondContact O-N 2.61Å; D327-D329 VanDerWaalsContact O-N 3.13Å
328	P	85.3	Confident	92.8	Very high	75 Å²	75	81.5 Å²	81.5	49%	0.487	42%	0.421	S	S	.	.			trans	-74.7	107.7	-173.6	29.3	-34.8	0	0	0	111.8	F330	P328-F330 HydrophobicContact CB-CD2 4.03Å; P328-F330 HydrophobicContact CB-CE2 3.61Å; P328-F330 HydrophobicContact CB-CZ 3.91Å; P328-F330 HydrophobicContact CG-CD2 4.31Å; P328-F330 HydrophobicContact CG-CE2 3.94Å; P328-F330 PolarHBondContact O-N 3.21Å
329	D	86.2	Confident	93.2	Very high	80 Å²	80	74.1 Å²	74.1	43%	0.428	39%	0.387	S	S	.	.			trans	-69.8	91.3	172.7	169.2	34	0	0	0	112	D327 N331 D332 R335 Y365	D327-D329 PolarHBondContact O-N 2.61Å; D327-D329 VanDerWaalsContact O-N 3.13Å; D329-N331 PolarHBondContact OD1-N 2.85Å; D329-D332 PolarHBondContact OD1-N 3.45Å; D329-R335 IonicContact OD2-CZ 3.23Å; D329-R335 IonicContact OD2-NH1 2.7Å; D329-R335 IonicContact OD2-NH2 2.81Å; D329-R335 PolarHBondContact OD2-NH2 2.8Å; D329-Y365 VanDerWaalsContact O-CE1 3.28Å; D329-Y365 WeakPolarHBondContact O-CE1 3.18Å; D329-Y365 PolarHBondContact O-OH 3.18Å
330	F	88.2	Confident	93.5	Very high	47 Å²	47	73.5 Å²	73.5	21%	0.206	39%	0.388	C	S	.	.			trans	-99.1	6	170.2	-63.7	-48.7	0	0	0	113.7	P328 L353 Q356 M362 Y365	P328-F330 HydrophobicContact CB-CD2 4.03Å; P328-F330 HydrophobicContact CB-CE2 3.61Å; P328-F330 HydrophobicContact CB-CZ 3.91Å; P328-F330 HydrophobicContact CG-CD2 4.31Å; P328-F330 HydrophobicContact CG-CE2 3.94Å; P328-F330 PolarHBondContact O-N 3.21Å; F330-L353 HydrophobicContact CB-CB 4.18Å; F330-L353 HydrophobicContact CB-CD1 4.24Å; F330-L353 HydrophobicContact CD1-CB 4.17Å; F330-L353 HydrophobicContact CD1-CD2 3.94Å; F330-L353 HydrophobicContact CD1-CG 4.43Å; F330-L353 HydrophobicContact CE1-CD2 4.35Å; F330-L353 HydrophobicContact CG-CB 4.21Å; F330-L353 WeakPolarHBondContact O-CD1 3.01Å; F330-Q356 HydrophobicContact CE2-CG 4.37Å; F330-Q356 HydrophobicContact CZ-CG 4.24Å; F330-M362 HydrophobicContact CE1-CE 4.14Å; F330-M362 HydrophobicContact CZ-CE 4.18Å; F330-Y365 VanDerWaalsContact CA-OH 3.31Å; F330-Y365 WeakPolarHBondContact CA-OH 3.43Å; F330-Y365 HydrophobicContact CD1-CE1 4.1Å
331	N	90.4	Very high	93.7	Very high	130 Å²	130	77.7 Å²	77.7	70%	0.695	42%	0.415	S	S	*	.			trans	-117.8	19.5	-173.6	-75.6	-29.4	0	0	0	113.4	D329 T333 Y365	D329-N331 PolarHBondContact OD1-N 2.85Å; N331-T333 VanDerWaalsContact C-N 3.35Å; N331-T333 PolarHBondContact O-N 2.92Å; N331-Y365 PolarHBondContact N-OH 3.17Å
332	D	93.6	Very high	93.7	Very high	40 Å²	40	75.1 Å²	75.1	21%	0.214	41%	0.406	C	S	.	.			trans	-67	92.6	173.7	-173.4	-15.7	0	0	0	110.2	D329 K334 R335 I336 Y365	D329-D332 PolarHBondContact OD1-N 3.45Å; D332-K334 PolarHBondContact O-N 3Å; D332-K334 WeakPolarHBondContact OD1-CB 3.28Å; D332-K334 PolarHBondContact OD1-N 3.47Å; D332-R335 HydrophobicContact CB-CB 4.34Å; D332-R335 HydrophobicContact CB-CG 4.19Å; D332-R335 PolarHBondContact O-N 2.82Å; D332-R335 IonicContact OD2-CZ 4Å; D332-R335 IonicContact OD2-NE 3.34Å; D332-R335 PolarHBondContact OD2-NE 3.22Å; D332-R335 IonicContact OD2-NH2 2.69Å; D332-R335 PolarHBondContact OD2-NH2 2.93Å; D332-I336 WeakPolarHBondContact O-CG1 3.3Å; D332-I336 PolarHBondContact O-N 2.85Å; D332-I336 VanDerWaalsContact O-N 3.1Å; D332-Y365 HydrophobicContact CB-CE2 4.42Å; D332-Y365 WeakPolarHBondContact CB-OH 3.4Å; D332-Y365 PolarHBondContact N-OH 3.17Å; D332-Y365 VanDerWaalsContact N-OH 3.14Å
333	T	94.4	Very high	93.6	Very high	77 Å²	77	75.9 Å²	75.9	47%	0.472	42%	0.423	S	S	.	.	H	α-helix	trans	-51.7	-33.1	-179.5	51.9	0	0	0	0	112.4	N331 R335 I336 D337	N331-T333 VanDerWaalsContact C-N 3.35Å; N331-T333 PolarHBondContact O-N 2.92Å; T333-R335 PolarHBondContact O-N 3.46Å; T333-I336 PolarHBondContact O-N 3.19Å; T333-D337 VanDerWaalsContact O-CB 3.29Å; T333-D337 WeakPolarHBondContact O-CB 3.24Å; T333-D337 PolarHBondContact O-N 3.17Å
334	K	95.1	Very high	93.6	Very high	154 Å²	154	74.4 Å²	74.4	67%	0.67	42%	0.418	S	S	*	.	H	α-helix	trans	-67.7	-36.9	179.4	-57.7	173.4	-176.9	171.6	0	111.7	D332 I338	D332-K334 PolarHBondContact O-N 3Å; D332-K334 WeakPolarHBondContact OD1-CB 3.28Å; D332-K334 PolarHBondContact OD1-N 3.47Å; K334-I338 WeakPolarHBondContact O-CB 3.22Å; K334-I338 VanDerWaalsContact O-CD1 3.31Å; K334-I338 WeakPolarHBondContact O-CD1 3.43Å; K334-I338 WeakPolarHBondContact O-CG1 3.09Å; K334-I338 PolarHBondContact O-N 2.86Å; K334-I338 VanDerWaalsContact O-N 3.12Å
335	R	95.4	Very high	93.7	Very high	44 Å²	44	71.1 Å²	71.1	17%	0.166	40%	0.403	C	S	.	.	H	α-helix	trans	-70.7	-43.3	173.8	-67	180	-133	146.9	17.4	111.1	D329 D332 T333 I338 M339 Y365 L368	D329-R335 IonicContact OD2-CZ 3.23Å; D329-R335 IonicContact OD2-NH1 2.7Å; D329-R335 IonicContact OD2-NH2 2.81Å; D329-R335 PolarHBondContact OD2-NH2 2.8Å; D332-R335 HydrophobicContact CB-CB 4.34Å; D332-R335 HydrophobicContact CB-CG 4.19Å; D332-R335 PolarHBondContact O-N 2.82Å; D332-R335 IonicContact OD2-CZ 4Å; D332-R335 IonicContact OD2-NE 3.34Å; D332-R335 PolarHBondContact OD2-NE 3.22Å; D332-R335 IonicContact OD2-NH2 2.69Å; D332-R335 PolarHBondContact OD2-NH2 2.93Å; T333-R335 PolarHBondContact O-N 3.46Å; R335-I338 PolarHBondContact O-N 3.03Å; R335-M339 WeakPolarHBondContact O-CG 3.32Å; R335-M339 PolarHBondContact O-N 3.34Å; R335-Y365 HydrophobicContact CB-CD2 3.72Å; R335-Y365 HydrophobicContact CB-CE2 3.6Å; R335-Y365 HydrophobicContact CG-CE2 4.38Å; R335-Y365 PolarHBondContact NH1-OH 3.04Å; R335-L368 HydrophobicContact CB-CD1 4.34Å; R335-L368 HydrophobicContact CG-CB 4.03Å
336	I	96.1	Very high	93.8	Very high	6 Å²	6	72.9 Å²	72.9	3%	0.031	41%	0.407	C	S	.	.	H	α-helix	trans	-61.1	-46.3	178.5	-57.6	173.1	0	0	0	110.2	D332 T333 I338 M339 V340 R346 I349 Y365	D332-I336 WeakPolarHBondContact O-CG1 3.3Å; D332-I336 PolarHBondContact O-N 2.85Å; D332-I336 VanDerWaalsContact O-N 3.1Å; T333-I336 PolarHBondContact O-N 3.19Å; I336-I338 PolarHBondContact O-N 3.37Å; I336-M339 WeakPolarHBondContact O-CB 3.42Å; I336-M339 PolarHBondContact O-N 3.34Å; I336-M339 VanDerWaalsContact O-N 3.15Å; I336-V340 WeakPolarHBondContact O-CG2 3.26Å; I336-V340 PolarHBondContact O-N 2.72Å; I336-R346 HydrophobicContact CG2-CG 3.85Å; I336-I349 HydrophobicContact CG1-CG2 4.24Å; I336-I349 HydrophobicContact CG2-CD1 4.03Å; I336-I349 HydrophobicContact CG2-CG2 4.29Å; I336-Y365 HydrophobicContact CG1-CE2 4.11Å
337	D	96.4	Very high	94	Very high	72 Å²	72	75.4 Å²	75.4	39%	0.385	42%	0.416	S	S	.	.	H	α-helix	trans	-67.3	-37.8	-179.7	-62	-16.9	0	0	0	111.5	T333 V340 T341 R346	T333-D337 VanDerWaalsContact O-CB 3.29Å; T333-D337 WeakPolarHBondContact O-CB 3.24Å; T333-D337 PolarHBondContact O-N 3.17Å; D337-V340 PolarHBondContact O-N 2.6Å; D337-T341 PolarHBondContact O-N 2.79Å; D337-R346 IonicContact OD1-CZ 3.66Å; D337-R346 VanDerWaalsContact OD1-CZ 3.23Å; D337-R346 IonicContact OD1-NH1 3.89Å; D337-R346 PolarHBondContact OD1-NH1 3.44Å; D337-R346 IonicContact OD1-NH2 3.84Å; D337-R346 PolarHBondContact OD1-NH2 3.35Å
338	I	96.2	Very high	94.4	Very high	73 Å²	73	72.1 Å²	72.1	37%	0.374	40%	0.396	S	S	.	.	H	α-helix	trans	-59.7	-45.4	169.7	-73	165.5	0	0	0	110.8	K334 R335 I336 V340 T341 M342 L368	K334-I338 WeakPolarHBondContact O-CB 3.22Å; K334-I338 VanDerWaalsContact O-CD1 3.31Å; K334-I338 WeakPolarHBondContact O-CD1 3.43Å; K334-I338 WeakPolarHBondContact O-CG1 3.09Å; K334-I338 PolarHBondContact O-N 2.86Å; K334-I338 VanDerWaalsContact O-N 3.12Å; R335-I338 PolarHBondContact O-N 3.03Å; I336-I338 PolarHBondContact O-N 3.37Å; I338-V340 VanDerWaalsContact C-N 3.33Å; I338-V340 PolarHBondContact O-N 3.41Å; I338-T341 CarbonylContact O-C 3.56Å; I338-T341 WeakPolarHBondContact O-CA 3.47Å; I338-T341 PolarHBondContact O-N 3.16Å; I338-T341 VanDerWaalsContact O-N 3.07Å; I338-T341 PolarHBondContact O-OG1 2.99Å; I338-M342 HydrophobicContact CG2-CE 3.79Å; I338-M342 HydrophobicContact CG2-SD 4.29Å; I338-M342 WeakPolarHBondContact O-CG 3.47Å; I338-M342 PolarHBondContact O-N 2.86Å; I338-L368 HydrophobicContact CB-CD1 4.33Å; I338-L368 HydrophobicContact CG2-CD1 3.85Å; I338-L368 HydrophobicContact CG2-CD2 3.96Å
339	M	97.5	Very high	95	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-64.8	-35.2	178.2	-72.9	174.4	69.5	0	0	112.8	R335 I336 T341 M342 G343 F344 I349 V361 T364 Y365 L368	R335-M339 WeakPolarHBondContact O-CG 3.32Å; R335-M339 PolarHBondContact O-N 3.34Å; I336-M339 WeakPolarHBondContact O-CB 3.42Å; I336-M339 PolarHBondContact O-N 3.34Å; I336-M339 VanDerWaalsContact O-N 3.15Å; M339-T341 VanDerWaalsContact C-N 3.31Å; M339-T341 PolarHBondContact O-N 3.44Å; M339-M342 CarbonylContact O-C 3.6Å; M339-M342 WeakPolarHBondContact O-CA 3.42Å; M339-M342 WeakPolarHBondContact O-CB 3.47Å; M339-M342 PolarHBondContact O-N 2.64Å; M339-G343 PolarHBondContact O-N 3.05Å; M339-G343 VanDerWaalsContact O-N 3.14Å; M339-F344 HydrophobicContact CB-CB 4.41Å; M339-F344 HydrophobicContact CB-CD2 3.99Å; M339-F344 HydrophobicContact CE-CD2 4.08Å; M339-F344 HydrophobicContact CE-CE2 4.43Å; M339-F344 HydrophobicContact CE-CG 4.35Å; M339-F344 HydrophobicContact CG-CD2 4.38Å; M339-F344 WeakPolarHBondContact O-CD2 3.4Å; M339-F344 PolarHBondContact O-N 2.63Å; M339-F344 VanDerWaalsContact O-N 3.15Å; M339-I349 HydrophobicContact CB-CD1 3.61Å; M339-I349 HydrophobicContact CB-CG1 4.42Å; M339-I349 HydrophobicContact CE-CD1 4.31Å; M339-I349 HydrophobicContact CE-CG1 3.9Å; M339-I349 HydrophobicContact CE-CG2 4.4Å; M339-V361 HydrophobicContact CE-CG1 3.7Å; M339-V361 WeakPolarHBondContact CE-O 3.34Å; M339-T364 HydrophobicContact CE-CG2 4.11Å; M339-T364 HydrophobicContact CG-CG2 3.91Å; M339-T364 HydrophobicContact SD-CG2 4.19Å; M339-Y365 HydrophobicContact SD-CD2 4.07Å; M339-Y365 HydrophobicContact SD-CG 4.38Å; M339-L368 HydrophobicContact CG-CD1 3.66Å; M339-L368 HydrophobicContact SD-CD1 4.25Å
340	V	97.1	Very high	95.4	Very high	65 Å²	65	67.2 Å²	67.2	39%	0.394	37%	0.366	S	S	.	.	H	α-helix	trans	-62.1	-39.1	170.6	172.6	0	0	0	0	110.9	I336 D337 I338 M342 G343 R346 I349	I336-V340 WeakPolarHBondContact O-CG2 3.26Å; I336-V340 PolarHBondContact O-N 2.72Å; D337-V340 PolarHBondContact O-N 2.6Å; I338-V340 VanDerWaalsContact C-N 3.33Å; I338-V340 PolarHBondContact O-N 3.41Å; V340-M342 VanDerWaalsContact C-N 3.25Å; V340-M342 PolarHBondContact O-N 3.08Å; V340-G343 PolarHBondContact O-N 3.25Å; V340-G343 VanDerWaalsContact O-N 3.1Å; V340-R346 HydrophobicContact CG2-CB 4.44Å; V340-I349 HydrophobicContact CG2-CD1 4.17Å
341	T	96.8	Very high	95.7	Very high	120 Å²	120	68.6 Å²	68.6	74%	0.736	38%	0.375	S	S	*	.	H	α-helix	trans	-69.8	-18.2	172.1	66	0	0	0	0	114.5	D337 I338 M339	D337-T341 PolarHBondContact O-N 2.79Å; I338-T341 CarbonylContact O-C 3.56Å; I338-T341 WeakPolarHBondContact O-CA 3.47Å; I338-T341 PolarHBondContact O-N 3.16Å; I338-T341 VanDerWaalsContact O-N 3.07Å; I338-T341 PolarHBondContact O-OG1 2.99Å; M339-T341 VanDerWaalsContact C-N 3.31Å; M339-T341 PolarHBondContact O-N 3.44Å
342	M	95.6	Very high	96	Very high	73 Å²	73	62.4 Å²	62.4	36%	0.36	34%	0.342	S	S	.	.	H	α-helix	trans	-82.7	-11.9	170.5	-65.9	174.6	170.4	0	0	113	L81 T82 I338 M339 V340 F344 T364 L368	L81-M342 HydrophobicContact CB-SD 4.38Å; L81-M342 WeakPolarHBondContact O-CE 3.41Å; T82-M342 HydrophobicContact CG2-CE 4.44Å; I338-M342 HydrophobicContact CG2-CE 3.79Å; I338-M342 HydrophobicContact CG2-SD 4.29Å; I338-M342 WeakPolarHBondContact O-CG 3.47Å; I338-M342 PolarHBondContact O-N 2.86Å; M339-M342 CarbonylContact O-C 3.6Å; M339-M342 WeakPolarHBondContact O-CA 3.42Å; M339-M342 WeakPolarHBondContact O-CB 3.47Å; M339-M342 PolarHBondContact O-N 2.64Å; V340-M342 VanDerWaalsContact C-N 3.25Å; V340-M342 PolarHBondContact O-N 3.08Å; M342-F344 HydrophobicContact CB-CD2 4.14Å; M342-F344 HydrophobicContact CB-CE2 4.24Å; M342-T364 HydrophobicContact SD-CG2 4.12Å; M342-L368 HydrophobicContact CE-CD2 4.27Å
343	G	95.9	Very high	96	Very high	67 Å²	67	60.6 Å²	60.6	69%	0.691	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.3	-1.1	175.3	0	0	0	0	0	116	M339 V340	M339-G343 PolarHBondContact O-N 3.05Å; M339-G343 VanDerWaalsContact O-N 3.14Å; V340-G343 PolarHBondContact O-N 3.25Å; V340-G343 VanDerWaalsContact O-N 3.1Å
344	F	96.9	Very high	95.9	Very high	26 Å²	26	63.2 Å²	63.2	11%	0.114	34%	0.342	C	S	.	.			trans	-73.9	144.1	177.9	-64.5	-74.9	0	0	0	111.9	L81 M339 M342 I349 V361 T364	L81-F344 HydrophobicContact CD1-CE2 3.91Å; L81-F344 HydrophobicContact CD1-CZ 3.79Å; M339-F344 HydrophobicContact CB-CB 4.41Å; M339-F344 HydrophobicContact CB-CD2 3.99Å; M339-F344 HydrophobicContact CE-CD2 4.08Å; M339-F344 HydrophobicContact CE-CE2 4.43Å; M339-F344 HydrophobicContact CE-CG 4.35Å; M339-F344 HydrophobicContact CG-CD2 4.38Å; M339-F344 WeakPolarHBondContact O-CD2 3.4Å; M339-F344 PolarHBondContact O-N 2.63Å; M339-F344 VanDerWaalsContact O-N 3.15Å; M342-F344 HydrophobicContact CB-CD2 4.14Å; M342-F344 HydrophobicContact CB-CE2 4.24Å; F344-I349 HydrophobicContact CB-CD1 3.93Å; F344-I349 HydrophobicContact CB-CG1 3.93Å; F344-V361 HydrophobicContact CD1-CG1 4.46Å; F344-V361 HydrophobicContact CD1-CG2 3.93Å; F344-V361 HydrophobicContact CE1-CG2 3.9Å; F344-T364 HydrophobicContact CE2-CG2 4.11Å
345	A	97.4	Very high	95.9	Very high	51 Å²	51	60.3 Å²	60.3	42%	0.421	33%	0.334	S	S	.	.			trans	-78.9	142.9	176.7	0	0	0	0	0	111.2	D347 E348 I349	A345-D347 VanDerWaalsContact C-N 3.29Å; A345-D347 PolarHBondContact O-N 3.12Å; A345-E348 HydrophobicContact CB-CB 3.96Å; A345-E348 PolarHBondContact N-OE2 2.92Å; A345-E348 WeakPolarHBondContact O-CB 3.09Å; A345-E348 PolarHBondContact O-N 2.85Å; A345-I349 WeakPolarHBondContact O-CG1 3.34Å; A345-I349 PolarHBondContact O-N 3.26Å
346	R	95.8	Very high	95.8	Very high	98 Å²	98	62.3 Å²	62.3	37%	0.37	35%	0.345	S	S	.	.	H	α-helix	trans	-62.9	-36.9	-176.5	-155.1	-178.7	-162.9	90.3	0.8	112.6	I336 D337 V340 I349 N350	I336-R346 HydrophobicContact CG2-CG 3.85Å; D337-R346 IonicContact OD1-CZ 3.66Å; D337-R346 VanDerWaalsContact OD1-CZ 3.23Å; D337-R346 IonicContact OD1-NH1 3.89Å; D337-R346 PolarHBondContact OD1-NH1 3.44Å; D337-R346 IonicContact OD1-NH2 3.84Å; D337-R346 PolarHBondContact OD1-NH2 3.35Å; V340-R346 HydrophobicContact CG2-CB 4.44Å; R346-I349 PolarHBondContact O-N 3.14Å; R346-N350 PolarHBondContact O-N 2.91Å; R346-N350 PolarHBondContact O-ND2 2.75Å
347	D	96	Very high	95.6	Very high	129 Å²	129	66.3 Å²	66.3	69%	0.69	36%	0.362	S	S	*	.	H	α-helix	trans	-71.6	-34.9	178.8	-54.1	-45.7	0	0	0	112.2	A345 N350 D351	A345-D347 VanDerWaalsContact C-N 3.29Å; A345-D347 PolarHBondContact O-N 3.12Å; D347-N350 PolarHBondContact O-N 2.91Å; D347-D351 VanDerWaalsContact O-CB 3.31Å; D347-D351 WeakPolarHBondContact O-CB 3.38Å; D347-D351 PolarHBondContact O-N 2.66Å
348	E	96.8	Very high	95.6	Very high	88 Å²	88	63.6 Å²	63.6	41%	0.411	35%	0.347	S	S	.	.	H	α-helix	trans	-64.2	-43.5	172	168.5	-174.8	-128.3	0	0	111.5	A345 D351 A352 V361	A345-E348 HydrophobicContact CB-CB 3.96Å; A345-E348 PolarHBondContact N-OE2 2.92Å; A345-E348 WeakPolarHBondContact O-CB 3.09Å; A345-E348 PolarHBondContact O-N 2.85Å; E348-D351 PolarHBondContact O-N 2.95Å; E348-A352 VanDerWaalsContact O-CB 3.28Å; E348-A352 WeakPolarHBondContact O-CB 3.18Å; E348-A352 PolarHBondContact O-N 3.29Å; E348-V361 HydrophobicContact CG-CG1 4.45Å; E348-V361 HydrophobicContact CG-CG2 4.08Å
349	I	96.5	Very high	95.6	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-59.3	-50.2	173.3	-62.5	164.6	0	0	0	110.2	I336 M339 V340 F344 A345 R346 D351 A352 L353 V361	I336-I349 HydrophobicContact CG1-CG2 4.24Å; I336-I349 HydrophobicContact CG2-CD1 4.03Å; I336-I349 HydrophobicContact CG2-CG2 4.29Å; M339-I349 HydrophobicContact CB-CD1 3.61Å; M339-I349 HydrophobicContact CB-CG1 4.42Å; M339-I349 HydrophobicContact CE-CD1 4.31Å; M339-I349 HydrophobicContact CE-CG1 3.9Å; M339-I349 HydrophobicContact CE-CG2 4.4Å; V340-I349 HydrophobicContact CG2-CD1 4.17Å; F344-I349 HydrophobicContact CB-CD1 3.93Å; F344-I349 HydrophobicContact CB-CG1 3.93Å; A345-I349 WeakPolarHBondContact O-CG1 3.34Å; A345-I349 PolarHBondContact O-N 3.26Å; R346-I349 PolarHBondContact O-N 3.14Å; I349-D351 PolarHBondContact O-N 3.26Å; I349-A352 PolarHBondContact O-N 3.02Å; I349-L353 HydrophobicContact CG2-CD1 3.84Å; I349-L353 HydrophobicContact CG2-CG 4.39Å; I349-L353 WeakPolarHBondContact O-CB 3.46Å; I349-L353 VanDerWaalsContact O-CG 3.25Å; I349-L353 WeakPolarHBondContact O-CG 3.12Å; I349-L353 PolarHBondContact O-N 3.21Å; I349-L353 VanDerWaalsContact O-N 3.07Å; I349-V361 HydrophobicContact CB-CG1 4.35Å; I349-V361 HydrophobicContact CG1-CG1 3.99Å
350	N	94.6	Very high	95.6	Very high	52 Å²	52	66.4 Å²	66.4	28%	0.278	36%	0.36	S	S	.	.	H	α-helix	trans	-58.9	-48.4	179.7	-66.3	-25.5	0	0	0	111.3	R346 D347 L353 I354	R346-N350 PolarHBondContact O-N 2.91Å; R346-N350 PolarHBondContact O-ND2 2.75Å; D347-N350 PolarHBondContact O-N 2.91Å; N350-L353 PolarHBondContact O-N 2.9Å; N350-I354 WeakPolarHBondContact O-CB 3.39Å; N350-I354 WeakPolarHBondContact O-CD1 3.44Å; N350-I354 WeakPolarHBondContact O-CG1 3.33Å; N350-I354 PolarHBondContact O-N 2.75Å
351	D	95.8	Very high	95.6	Very high	75 Å²	75	63.6 Å²	63.6	40%	0.401	34%	0.342	S	S	.	.	H	α-helix	trans	-66.2	-38.9	-179.1	-175.8	77.4	0	0	0	112.8	D347 E348 I349 N355 K357	D347-D351 VanDerWaalsContact O-CB 3.31Å; D347-D351 WeakPolarHBondContact O-CB 3.38Å; D347-D351 PolarHBondContact O-N 2.66Å; E348-D351 PolarHBondContact O-N 2.95Å; I349-D351 PolarHBondContact O-N 3.26Å; D351-N355 VanDerWaalsContact O-CB 3.32Å; D351-N355 WeakPolarHBondContact O-CB 2.97Å; D351-N355 PolarHBondContact O-N 3.33Å; D351-N355 VanDerWaalsContact O-N 3.09Å; D351-N355 PolarHBondContact O-ND2 2.87Å; D351-N355 PolarHBondContact OD1-ND2 3.25Å; D351-N355 PolarHBondContact OD2-ND2 2.88Å; D351-K357 VanDerWaalsContact OD2-CE 3.24Å; D351-K357 WeakPolarHBondContact OD2-CE 3.31Å; D351-K357 IonicContact OD2-NZ 3.51Å; D351-K357 PolarHBondContact OD2-NZ 2.91Å
352	A	95.9	Very high	95.6	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-65.8	-39.9	176.4	0	0	0	0	0	112.9	E348 I349 Q356 K357 V361	E348-A352 VanDerWaalsContact O-CB 3.28Å; E348-A352 WeakPolarHBondContact O-CB 3.18Å; E348-A352 PolarHBondContact O-N 3.29Å; I349-A352 PolarHBondContact O-N 3.02Å; A352-Q356 PolarHBondContact O-N 3.36Å; A352-K357 HydrophobicContact CB-CD 4.46Å; A352-K357 PolarHBondContact O-N 3.45Å; A352-V361 HydrophobicContact CB-CB 3.79Å; A352-V361 HydrophobicContact CB-CG1 3.8Å
353	L	94.4	Very high	95.7	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.016	29%	0.291	C	S	.	.	H	α-helix	trans	-72.8	-45.9	178.3	-65.3	179.2	0	0	0	112.2	F330 I349 N350 Q356 M362 Y365	F330-L353 HydrophobicContact CB-CB 4.18Å; F330-L353 HydrophobicContact CB-CD1 4.24Å; F330-L353 HydrophobicContact CD1-CB 4.17Å; F330-L353 HydrophobicContact CD1-CD2 3.94Å; F330-L353 HydrophobicContact CD1-CG 4.43Å; F330-L353 HydrophobicContact CE1-CD2 4.35Å; F330-L353 HydrophobicContact CG-CB 4.21Å; F330-L353 WeakPolarHBondContact O-CD1 3.01Å; I349-L353 HydrophobicContact CG2-CD1 3.84Å; I349-L353 HydrophobicContact CG2-CG 4.39Å; I349-L353 WeakPolarHBondContact O-CB 3.46Å; I349-L353 VanDerWaalsContact O-CG 3.25Å; I349-L353 WeakPolarHBondContact O-CG 3.12Å; I349-L353 PolarHBondContact O-N 3.21Å; I349-L353 VanDerWaalsContact O-N 3.07Å; N350-L353 PolarHBondContact O-N 2.9Å; L353-Q356 WeakPolarHBondContact O-CG 3.42Å; L353-Q356 PolarHBondContact O-N 2.94Å; L353-M362 HydrophobicContact CD2-CB 4.38Å; L353-M362 HydrophobicContact CD2-CG 4.05Å; L353-Y365 HydrophobicContact CD1-CD1 4.11Å; L353-Y365 HydrophobicContact CD1-CD2 3.85Å; L353-Y365 HydrophobicContact CD1-CE1 4.24Å; L353-Y365 HydrophobicContact CD1-CE2 3.98Å; L353-Y365 HydrophobicContact CD1-CG 3.92Å; L353-Y365 HydrophobicContact CD2-CD1 3.64Å; L353-Y365 HydrophobicContact CD2-CE1 4.31Å; L353-Y365 HydrophobicContact CD2-CG 3.79Å; L353-Y365 HydrophobicContact CG-CG 4.48Å
354	I	92.4	Very high	95.8	Very high	132 Å²	132	51.3 Å²	51.3	68%	0.677	26%	0.258	S	S	*	.	H	α-helix	trans	-62.2	-46.8	179.5	-70.6	166.2	0	0	0	111	N350 Q356	N350-I354 WeakPolarHBondContact O-CB 3.39Å; N350-I354 WeakPolarHBondContact O-CD1 3.44Å; N350-I354 WeakPolarHBondContact O-CG1 3.33Å; N350-I354 PolarHBondContact O-N 2.75Å; I354-Q356 PolarHBondContact O-N 3.14Å
355	N	93.6	Very high	95.7	Very high	92 Å²	92	50.2 Å²	50.2	49%	0.492	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-4.5	179.7	-66.5	-65.7	0	0	0	113.8	D351 K357	D351-N355 VanDerWaalsContact O-CB 3.32Å; D351-N355 WeakPolarHBondContact O-CB 2.97Å; D351-N355 PolarHBondContact O-N 3.33Å; D351-N355 VanDerWaalsContact O-N 3.09Å; D351-N355 PolarHBondContact O-ND2 2.87Å; D351-N355 PolarHBondContact OD1-ND2 3.25Å; D351-N355 PolarHBondContact OD2-ND2 2.88Å; N355-K357 HydrophobicContact CB-CG 3.98Å; N355-K357 PolarHBondContact O-N 2.97Å
356	Q	93.6	Very high	95.6	Very high	87 Å²	87	48.9 Å²	48.9	41%	0.407	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	54.7	-177.4	-59.2	-173.9	34.6	0	0	113	K112 F330 A352 L353 I354 Y358 M362	K112-Q356 PolarHBondContact NZ-O 2.7Å; F330-Q356 HydrophobicContact CE2-CG 4.37Å; F330-Q356 HydrophobicContact CZ-CG 4.24Å; A352-Q356 PolarHBondContact O-N 3.36Å; L353-Q356 WeakPolarHBondContact O-CG 3.42Å; L353-Q356 PolarHBondContact O-N 2.94Å; I354-Q356 PolarHBondContact O-N 3.14Å; Q356-Y358 VanDerWaalsContact C-N 3.35Å; Q356-Y358 HydrophobicContact CB-CE2 4.4Å; Q356-Y358 VanDerWaalsContact O-CD2 3.31Å; Q356-Y358 WeakPolarHBondContact O-CD2 3.42Å; Q356-Y358 PolarHBondContact O-N 3.19Å; Q356-M362 VanDerWaalsContact C-SD 3.57Å; Q356-M362 HydrophobicContact CB-CE 3.87Å; Q356-M362 HydrophobicContact CB-SD 4.31Å; Q356-M362 HydrophobicContact CG-CE 3.99Å
357	K	92.3	Very high	95.6	Very high	90 Å²	90	44.3 Å²	44.3	39%	0.391	22%	0.221	S	C	.	.			trans	-67	-32.7	-172.4	-68.4	179.8	-174.6	170.5	0	113.4	K112 D351 A352 N355 D359	K112-K357 PolarHBondContact NZ-O 3.36Å; D351-K357 VanDerWaalsContact OD2-CE 3.24Å; D351-K357 WeakPolarHBondContact OD2-CE 3.31Å; D351-K357 IonicContact OD2-NZ 3.51Å; D351-K357 PolarHBondContact OD2-NZ 2.91Å; A352-K357 HydrophobicContact CB-CD 4.46Å; A352-K357 PolarHBondContact O-N 3.45Å; N355-K357 HydrophobicContact CB-CG 3.98Å; N355-K357 PolarHBondContact O-N 2.97Å; K357-D359 VanDerWaalsContact C-N 3.31Å; K357-D359 HydrophobicContact CB-CB 4.19Å; K357-D359 VanDerWaalsContact CB-OD2 3.25Å; K357-D359 WeakPolarHBondContact CB-OD2 3.44Å; K357-D359 WeakPolarHBondContact CD-OD2 3.11Å
358	Y	96.6	Very high	95.6	Very high	15 Å²	15	39.5 Å²	39.5	6%	0.059	20%	0.196	C	C	.	.			trans	56.8	45.4	-166.6	-68.2	-103.6	0	0	0	111.7	K112 L122 F123 E124 V125 Q356 M362	K112-Y358 HydrophobicContact CB-CD2 4.4Å; K112-Y358 HydrophobicContact CB-CE2 3.83Å; K112-Y358 HydrophobicContact CD-CD2 3.55Å; K112-Y358 HydrophobicContact CD-CE2 3.82Å; K112-Y358 HydrophobicContact CD-CG 4.27Å; K112-Y358 HydrophobicContact CG-CD2 3.64Å; K112-Y358 HydrophobicContact CG-CE1 4.5Å; K112-Y358 HydrophobicContact CG-CE2 3.56Å; K112-Y358 HydrophobicContact CG-CG 4.15Å; K112-Y358 PolarHBondContact O-OH 3.04Å; L122-Y358 HydrophobicContact CB-CD1 4.33Å; L122-Y358 HydrophobicContact CB-CE1 4.04Å; L122-Y358 HydrophobicContact CD2-CD1 3.81Å; L122-Y358 HydrophobicContact CD2-CE1 4.01Å; L122-Y358 HydrophobicContact CD2-CG 4.36Å; L122-Y358 HydrophobicContact CG-CD1 3.88Å; L122-Y358 HydrophobicContact CG-CE1 4.08Å; F123-Y358 WeakPolarHBondContact O-CD1 3.47Å; E124-Y358 WeakPolarHBondContact CA-O 3.33Å; E124-Y358 WeakPolarHBondContact CG-O 3.49Å; V125-Y358 PolarHBondContact N-O 3.34Å; Q356-Y358 VanDerWaalsContact C-N 3.35Å; Q356-Y358 HydrophobicContact CB-CE2 4.4Å; Q356-Y358 VanDerWaalsContact O-CD2 3.31Å; Q356-Y358 WeakPolarHBondContact O-CD2 3.42Å; Q356-Y358 PolarHBondContact O-N 3.19Å; Y358-M362 HydrophobicContact CD1-SD 4.49Å; Y358-M362 HydrophobicContact CD2-CE 4.14Å; Y358-M362 HydrophobicContact CD2-SD 3.74Å; Y358-M362 HydrophobicContact CE2-CE 3.88Å; Y358-M362 HydrophobicContact CE2-SD 4.12Å; Y358-M362 HydrophobicContact CG-SD 3.97Å; Y358-M362 PolarHBondContact N-SD 3.04Å
359	D	96.9	Very high	95.2	Very high	44 Å²	44	37.5 Å²	37.5	24%	0.235	20%	0.198	C	C	.	.	S	Bend	trans	-97	-179.7	170.2	54.6	14.8	0	0	0	111.2	K357 V361 M362 A363	K357-D359 VanDerWaalsContact C-N 3.31Å; K357-D359 HydrophobicContact CB-CB 4.19Å; K357-D359 VanDerWaalsContact CB-OD2 3.25Å; K357-D359 WeakPolarHBondContact CB-OD2 3.44Å; K357-D359 WeakPolarHBondContact CD-OD2 3.11Å; D359-V361 PolarHBondContact O-N 2.77Å; D359-M362 PolarHBondContact O-N 2.88Å; D359-M362 WeakPolarHBondContact OD1-CB 3.36Å; D359-M362 PolarHBondContact OD1-N 2.81Å; D359-A363 VanDerWaalsContact O-CB 3.27Å; D359-A363 WeakPolarHBondContact O-CB 2.97Å; D359-A363 PolarHBondContact O-N 3.13Å
360	E	97	Very high	94.8	Very high	88 Å²	88	41.3 Å²	41.3	41%	0.411	21%	0.213	S	C	.	.	H	α-helix	trans	-57.9	-29.9	-178.4	64.5	-176.2	160	0	0	114.1	N59 E124 T364	N59-E360 PolarHBondContact ND2-OE2 3.46Å; E124-E360 WeakPolarHBondContact OE2-CA 3.49Å; E360-T364 VanDerWaalsContact O-CB 3.24Å; E360-T364 WeakPolarHBondContact O-CB 3.29Å; E360-T364 PolarHBondContact O-N 3.18Å; E360-T364 PolarHBondContact O-OG1 3Å
361	V	97.4	Very high	93.9	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.03	24%	0.238	C	C	.	.	H	α-helix	trans	-71.2	-54.1	178.5	-172.6	0	0	0	0	109.5	M339 F344 E348 I349 A352 D359 A363 T364 Y365	M339-V361 HydrophobicContact CE-CG1 3.7Å; M339-V361 WeakPolarHBondContact CE-O 3.34Å; F344-V361 HydrophobicContact CD1-CG1 4.46Å; F344-V361 HydrophobicContact CD1-CG2 3.93Å; F344-V361 HydrophobicContact CE1-CG2 3.9Å; E348-V361 HydrophobicContact CG-CG1 4.45Å; E348-V361 HydrophobicContact CG-CG2 4.08Å; I349-V361 HydrophobicContact CB-CG1 4.35Å; I349-V361 HydrophobicContact CG1-CG1 3.99Å; A352-V361 HydrophobicContact CB-CB 3.79Å; A352-V361 HydrophobicContact CB-CG1 3.8Å; D359-V361 PolarHBondContact O-N 2.77Å; V361-A363 VanDerWaalsContact C-N 3.33Å; V361-A363 PolarHBondContact O-N 3.37Å; V361-T364 PolarHBondContact O-N 3.02Å; V361-Y365 PolarHBondContact O-N 2.99Å; V361-Y365 VanDerWaalsContact O-N 3.13Å
362	M	96.6	Very high	92.6	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-61.9	-40.7	176.7	-174.8	177.4	-167	0	0	111.9	F330 L353 Q356 Y358 D359 Y365 I366	F330-M362 HydrophobicContact CE1-CE 4.14Å; F330-M362 HydrophobicContact CZ-CE 4.18Å; L353-M362 HydrophobicContact CD2-CB 4.38Å; L353-M362 HydrophobicContact CD2-CG 4.05Å; Q356-M362 VanDerWaalsContact C-SD 3.57Å; Q356-M362 HydrophobicContact CB-CE 3.87Å; Q356-M362 HydrophobicContact CB-SD 4.31Å; Q356-M362 HydrophobicContact CG-CE 3.99Å; Y358-M362 HydrophobicContact CD1-SD 4.49Å; Y358-M362 HydrophobicContact CD2-CE 4.14Å; Y358-M362 HydrophobicContact CD2-SD 3.74Å; Y358-M362 HydrophobicContact CE2-CE 3.88Å; Y358-M362 HydrophobicContact CE2-SD 4.12Å; Y358-M362 HydrophobicContact CG-SD 3.97Å; Y358-M362 PolarHBondContact N-SD 3.04Å; D359-M362 PolarHBondContact O-N 2.88Å; D359-M362 WeakPolarHBondContact OD1-CB 3.36Å; D359-M362 PolarHBondContact OD1-N 2.81Å; M362-Y365 PolarHBondContact O-N 2.69Å; M362-I366 HydrophobicContact CE-CD1 4.18Å; M362-I366 HydrophobicContact CG-CD1 3.85Å; M362-I366 VanDerWaalsContact O-CG1 3.3Å; M362-I366 WeakPolarHBondContact O-CG1 3.22Å; M362-I366 PolarHBondContact O-N 2.91Å
363	A	97.3	Very high	90.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.7	-43.6	178.2	0	0	0	0	0	111.9	F123 E124 D359 V361 Y365 I366 L367	F123-A363 HydrophobicContact CB-CB 4.34Å; F123-A363 WeakPolarHBondContact O-CB 3.31Å; E124-A363 HydrophobicContact CB-CB 3.76Å; E124-A363 HydrophobicContact CG-CB 3.93Å; E124-A363 WeakPolarHBondContact OE2-CB 3.46Å; D359-A363 VanDerWaalsContact O-CB 3.27Å; D359-A363 WeakPolarHBondContact O-CB 2.97Å; D359-A363 PolarHBondContact O-N 3.13Å; V361-A363 VanDerWaalsContact C-N 3.33Å; V361-A363 PolarHBondContact O-N 3.37Å; A363-Y365 PolarHBondContact O-N 3.14Å; A363-I366 PolarHBondContact O-N 3.19Å; A363-L367 WeakPolarHBondContact O-CB 3.28Å; A363-L367 VanDerWaalsContact O-CG 3.23Å; A363-L367 WeakPolarHBondContact O-CG 3.31Å; A363-L367 PolarHBondContact O-N 3.45Å
364	T	97.1	Very high	88.9	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-59.1	-47.1	175.6	-64.5	0	0	0	0	111.3	H79 T82 M339 M342 F344 E360 V361 I366 L367 L368	H79-T364 PolarHBondContact CE1-OG1 2.73Å; T82-T364 HydrophobicContact CG2-CG2 4.02Å; M339-T364 HydrophobicContact CE-CG2 4.11Å; M339-T364 HydrophobicContact CG-CG2 3.91Å; M339-T364 HydrophobicContact SD-CG2 4.19Å; M342-T364 HydrophobicContact SD-CG2 4.12Å; F344-T364 HydrophobicContact CE2-CG2 4.11Å; E360-T364 VanDerWaalsContact O-CB 3.24Å; E360-T364 WeakPolarHBondContact O-CB 3.29Å; E360-T364 PolarHBondContact O-N 3.18Å; E360-T364 PolarHBondContact O-OG1 3Å; V361-T364 PolarHBondContact O-N 3.02Å; T364-I366 PolarHBondContact O-N 3.09Å; T364-L367 PolarHBondContact O-N 3.01Å; T364-L368 HydrophobicContact CG2-CD1 4.3Å; T364-L368 WeakPolarHBondContact O-CG 3.23Å; T364-L368 PolarHBondContact O-N 3.15Å
365	Y	96.6	Very high	86.6	Confident	3 Å²	3	63.1 Å²	63.1	1%	0.012	32%	0.316	C	S	.	.	H	α-helix	trans	-58.3	-47	176.9	-179.5	-94.1	0	0	0	112.5	D329 F330 N331 D332 R335 I336 M339 L353 V361 M362 A363 L368 G369	D329-Y365 VanDerWaalsContact O-CE1 3.28Å; D329-Y365 WeakPolarHBondContact O-CE1 3.18Å; D329-Y365 PolarHBondContact O-OH 3.18Å; F330-Y365 VanDerWaalsContact CA-OH 3.31Å; F330-Y365 WeakPolarHBondContact CA-OH 3.43Å; F330-Y365 HydrophobicContact CD1-CE1 4.1Å; N331-Y365 PolarHBondContact N-OH 3.17Å; D332-Y365 HydrophobicContact CB-CE2 4.42Å; D332-Y365 WeakPolarHBondContact CB-OH 3.4Å; D332-Y365 PolarHBondContact N-OH 3.17Å; D332-Y365 VanDerWaalsContact N-OH 3.14Å; R335-Y365 HydrophobicContact CB-CD2 3.72Å; R335-Y365 HydrophobicContact CB-CE2 3.6Å; R335-Y365 HydrophobicContact CG-CE2 4.38Å; R335-Y365 PolarHBondContact NH1-OH 3.04Å; I336-Y365 HydrophobicContact CG1-CE2 4.11Å; M339-Y365 HydrophobicContact SD-CD2 4.07Å; M339-Y365 HydrophobicContact SD-CG 4.38Å; L353-Y365 HydrophobicContact CD1-CD1 4.11Å; L353-Y365 HydrophobicContact CD1-CD2 3.85Å; L353-Y365 HydrophobicContact CD1-CE1 4.24Å; L353-Y365 HydrophobicContact CD1-CE2 3.98Å; L353-Y365 HydrophobicContact CD1-CG 3.92Å; L353-Y365 HydrophobicContact CD2-CD1 3.64Å; L353-Y365 HydrophobicContact CD2-CE1 4.31Å; L353-Y365 HydrophobicContact CD2-CG 3.79Å; L353-Y365 HydrophobicContact CG-CG 4.48Å; V361-Y365 PolarHBondContact O-N 2.99Å; V361-Y365 VanDerWaalsContact O-N 3.13Å; M362-Y365 PolarHBondContact O-N 2.69Å; A363-Y365 PolarHBondContact O-N 3.14Å; Y365-L368 PolarHBondContact O-N 2.95Å; Y365-G369 PolarHBondContact O-N 2.88Å
366	I	95.2	Very high	84.2	Confident	23 Å²	23	67.2 Å²	67.2	12%	0.118	33%	0.332	C	S	.	.	H	α-helix	trans	-67	-38.8	180	-63.8	164.5	0	0	0	111.3	F123 M362 A363 T364 G369	F123-I366 HydrophobicContact CD1-CB 4.45Å; F123-I366 HydrophobicContact CD1-CG2 3.6Å; F123-I366 HydrophobicContact CE1-CG2 3.85Å; M362-I366 HydrophobicContact CE-CD1 4.18Å; M362-I366 HydrophobicContact CG-CD1 3.85Å; M362-I366 VanDerWaalsContact O-CG1 3.3Å; M362-I366 WeakPolarHBondContact O-CG1 3.22Å; M362-I366 PolarHBondContact O-N 2.91Å; A363-I366 PolarHBondContact O-N 3.19Å; T364-I366 PolarHBondContact O-N 3.09Å; I366-G369 PolarHBondContact O-N 3.3Å
367	L	95.7	Very high	81.4	Confident	2 Å²	2	66 Å²	66	1%	0.01	34%	0.343	C	S	.	.	H	α-helix	trans	-70.4	-34.2	179.5	-72.9	172.6	0	0	0	112.6	Y60 H79 R84 V86 F123 A363 T364 G369 R370	Y60-L367 HydrophobicContact CE1-CD1 4.26Å; H79-L367 HydrophobicContact CB-CD1 3.88Å; R84-L367 HydrophobicContact CB-CD2 4.22Å; R84-L367 HydrophobicContact CG-CB 4.4Å; R84-L367 PolarHBondContact NH1-O 3.1Å; R84-L367 VanDerWaalsContact NH1-O 3.1Å; R84-L367 PolarHBondContact NH2-O 2.85Å; V86-L367 HydrophobicContact CG1-CD1 4.38Å; V86-L367 HydrophobicContact CG1-CD2 3.84Å; F123-L367 HydrophobicContact CD2-CD2 3.67Å; F123-L367 HydrophobicContact CD2-CG 4.38Å; F123-L367 HydrophobicContact CE2-CD2 3.67Å; F123-L367 HydrophobicContact CG-CD2 4.12Å; F123-L367 HydrophobicContact CG-CG 4.44Å; F123-L367 HydrophobicContact CZ-CD2 4.15Å; A363-L367 WeakPolarHBondContact O-CB 3.28Å; A363-L367 VanDerWaalsContact O-CG 3.23Å; A363-L367 WeakPolarHBondContact O-CG 3.31Å; A363-L367 PolarHBondContact O-N 3.45Å; T364-L367 PolarHBondContact O-N 3.01Å; L367-G369 VanDerWaalsContact C-N 3.31Å; L367-G369 PolarHBondContact O-N 3.23Å; L367-R370 PolarHBondContact O-N 2.62Å
368	L	94.6	Very high	78.4	Confident	29 Å²	29	64.9 Å²	64.9	15%	0.152	36%	0.357	C	S	.	.	H	α-helix	trans	-59.3	-42	172.9	-76.9	171.9	0	0	0	111.7	T82 R84 R335 I338 M339 M342 T364 Y365 R370	T82-L368 HydrophobicContact CG2-CD2 3.79Å; T82-L368 HydrophobicContact CG2-CG 3.89Å; R84-L368 PolarHBondContact NH2-O 3.14Å; R335-L368 HydrophobicContact CB-CD1 4.34Å; R335-L368 HydrophobicContact CG-CB 4.03Å; I338-L368 HydrophobicContact CB-CD1 4.33Å; I338-L368 HydrophobicContact CG2-CD1 3.85Å; I338-L368 HydrophobicContact CG2-CD2 3.96Å; M339-L368 HydrophobicContact CG-CD1 3.66Å; M339-L368 HydrophobicContact SD-CD1 4.25Å; M342-L368 HydrophobicContact CE-CD2 4.27Å; T364-L368 HydrophobicContact CG2-CD1 4.3Å; T364-L368 WeakPolarHBondContact O-CG 3.23Å; T364-L368 PolarHBondContact O-N 3.15Å; Y365-L368 PolarHBondContact O-N 2.95Å; L368-R370 PolarHBondContact O-N 3.33Å
369	G	89.7	Confident	75.5	Confident	45 Å²	45	73.3 Å²	73.3	46%	0.464	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-8.7	-178.1	0	0	0	0	0	116.1	Y365 I366 L367	Y365-G369 PolarHBondContact O-N 2.88Å; I366-G369 PolarHBondContact O-N 3.3Å; L367-G369 VanDerWaalsContact C-N 3.31Å; L367-G369 PolarHBondContact O-N 3.23Å
370	R	87.1	Confident	72.4	Confident	81 Å²	81	76.5 Å²	76.5	31%	0.306	42%	0.423	S	S	.	.	S	Bend	trans	-85	162.9	173.7	-70.3	-177.6	169.2	-106.4	3.6	111.2	R84 F123 E137 L367 L368	R84-R370 PolarHBondContact NH1-O 2.99Å; R84-R370 PolarHBondContact NH2-O 3.2Å; F123-R370 VanDerWaalsContact CZ-NE 3.34Å; E137-R370 IonicContact OE1-CZ 2.88Å; E137-R370 IonicContact OE1-NH1 3.75Å; E137-R370 PolarHBondContact OE1-NH1 3.21Å; E137-R370 IonicContact OE1-NH2 3.81Å; E137-R370 IonicContact OE2-CZ 2.62Å; E137-R370 IonicContact OE2-NH1 2.83Å; E137-R370 PolarHBondContact OE2-NH1 3.21Å; E137-R370 IonicContact OE2-NH2 3.04Å; E137-R370 PolarHBondContact OE2-NH2 3.12Å; L367-R370 PolarHBondContact O-N 2.62Å; L368-R370 PolarHBondContact O-N 3.33Å
371	K	75.7	Confident	69.4	Low	188 Å²	188	79.6 Å²	79.6	82%	0.817	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-62.1	134	170.1	-66.1	-178.1	-178.5	176.8	0	110.6	R84	R84-K371 PolarHBondContact NH1-O 3.49Å
372	P	69.6	Low	66.4	Low	90 Å²	90	84.1 Å²	84.1	58%	0.584	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-67.6	156.3	172.8	29.7	-34.7	0	0	0	111.1
373	P	57.8	Low	63.3	Low	70 Å²	70	90.3 Å²	90.3	46%	0.455	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-60.9	143.1	166.3	28.5	-34.3	0	0	0	109.9	F375	P373-F375 PolarHBondContact O-N 3.44Å
374	E	54.1	Low	60.4	Low	189 Å²	189	93.8 Å²	93.8	88%	0.883	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-64.6	129	174.2	-64.5	-177.4	169.9	0	0	109.3	E376	E374-E376 PolarHBondContact O-N 2.84Å; E374-E376 VanDerWaalsContact O-N 3.17Å
375	F	44	Very low	57.2	Low	183 Å²	183	101.2 Å²	101.2	80%	0.803	59%	0.592	S	S	*	*			trans	-82.1	97.6	-167.7	-176.4	-99.2	0	0	0	111.8	P373 G377	P373-F375 PolarHBondContact O-N 3.44Å; F375-G377 WeakPolarHBondContact CE1-O 3.16Å; F375-G377 PolarHBondContact O-N 3.4Å
376	E	43.4	Very low	54.2	Low	177 Å²	177	109.3 Å²	109.3	83%	0.827	64%	0.635	S	S	*	*			trans	-72.6	81.5	176	-71.7	-162.6	138.7	0	0	113.1	E374	E374-E376 PolarHBondContact O-N 2.84Å; E374-E376 VanDerWaalsContact O-N 3.17Å
377	G	34.4	Very low	51	Low	61 Å²	61	114 Å²	114	63%	0.629	67%	0.668	S	S	*	*			trans	145.1	78.3	159	0	0	0	0	0	116.2	F375	F375-G377 WeakPolarHBondContact CE1-O 3.16Å; F375-G377 PolarHBondContact O-N 3.4Å
378	G	29.2	Very low	47.8	Very low	68 Å²	68	122.2 Å²	122.2	70%	0.701	71%	0.707	S	S	*	*			trans	-165.7	107.9	167.2	0	0	0	0	0	111.8
379	E	35	Very low	44.7	Very low	192 Å²	192	132.7 Å²	132.7	90%	0.897	74%	0.744	S	S	*	*			trans	-84.4	141.8	166.5	-67.3	-169.6	153	0	0	109.8
380	S	32.2	Very low	41.7	Very low	110 Å²	110	135.7 Å²	135.7	77%	0.769	76%	0.758	S	S	*	*			trans	68.7	139.9	178.9	-57.8	0	0	0	0	115.8
381	L	34.6	Very low	39.2	Very low	153 Å²	153	143 Å²	143	80%	0.801	79%	0.786	S	S	*	*			cis	-155.5	163.3	-4.7	-114.8	167.4	0	0	0	109.9
382	S	33.9	Very low	37.2	Very low	101 Å²	101	140.5 Å²	140.5	71%	0.706	79%	0.789	S	S	*	*			trans	48.6	101.3	160.6	57.9	0	0	0	0	120.1
383	S	32.5	Very low	35.2	Very low	131 Å²	131	140.9 Å²	140.9	92%	0.916	79%	0.793	S	S	*	*			trans	-160.4	95.2	131	-85.2	0	0	0	0	110
384	G	35.3	Very low	34	Very low	73 Å²	73	143 Å²	143	75%	0.753	81%	0.81	S	S	*	*			trans	-90.3	130.8	176.7	0	0	0	0	0	111.6
385	N	31.6	Very low	33	Very low	156 Å²	156	140.4 Å²	140.4	83%	0.834	80%	0.802	S	S	*	*			trans	-147.3	97.7	161.9	-101.1	-41.9	0	0	0	110.3	C387	N385-C387 PolarHBondContact O-N 3.02Å; N385-C387 VanDerWaalsContact O-N 3.14Å
386	L	32.8	Very low	32.6	Very low	174 Å²	174	139.1 Å²	139.1	91%	0.911	80%	0.803	S	S	*	*			trans	-81.5	78.6	174.3	-84.9	164.4	0	0	0	110.3	Q388	L386-Q388 PolarHBondContact O-N 3.32Å
387	C	28.1	Very low	32.1	Very low	121 Å²	121	137.4 Å²	137.4	82%	0.818	80%	0.799	S	S	*	*			trans	-73.3	98	168.4	-70.4	0	0	0	0	109.9	N385	N385-C387 PolarHBondContact O-N 3.02Å; N385-C387 VanDerWaalsContact O-N 3.14Å
388	Q	28.6	Very low	31.8	Very low	175 Å²	175	141.1 Å²	141.1	82%	0.818	81%	0.805	S	S	*	*			trans	-62.5	144	172.4	-66	-177.1	-7.8	0	0	110.8	L386 S390	L386-Q388 PolarHBondContact O-N 3.32Å; Q388-S390 PolarHBondContact O-N 3.24Å
389	R	29.3	Very low	32	Very low	248 Å²	248	142.2 Å²	142.2	94%	0.936	80%	0.802	S	S	*	*			trans	-78.3	87	178.2	-173.2	177.5	-178.3	172.9	0.7	110.5	R391	R389-R391 PolarHBondContact O-N 3.47Å
390	S	27.4	Very low	31.7	Very low	109 Å²	109	139.1 Å²	139.1	76%	0.762	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-53.7	135	172.9	-53.3	0	0	0	0	111.5	Q388	Q388-S390 PolarHBondContact O-N 3.24Å
391	R	33.1	Very low	31.7	Very low	235 Å²	235	140.7 Å²	140.7	89%	0.887	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-80.3	145.7	160.7	-70.9	177.1	172.6	166.4	-4.3	108.4	R389 S393	R389-R391 PolarHBondContact O-N 3.47Å; R391-S393 PolarHBondContact O-N 3.32Å
392	P	33.9	Very low	31.4	Very low	134 Å²	134	141.9 Å²	141.9	87%	0.87	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-66.7	132.2	170	28.7	-33	0	0	0	109.9
393	S	27	Very low	31	Very low	98 Å²	98	142.5 Å²	142.5	69%	0.685	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-99.9	148.9	160.6	-167.4	0	0	0	0	108.4	R391 D395	R391-S393 PolarHBondContact O-N 3.32Å; S393-D395 PolarHBondContact OG-OD1 3.35Å
394	S	34.3	Very low	31.5	Very low	116 Å²	116	142.1 Å²	142.1	81%	0.811	80%	0.795	S	S	*	*			trans	-120	110.3	171.9	56	0	0	0	0	108.3
395	D	33.3	Very low	31.3	Very low	133 Å²	133	142.6 Å²	142.6	71%	0.711	79%	0.792	S	S	*	*			trans	-92.5	169.3	-176.7	-62.8	-39	0	0	0	112.4	S393	S393-D395 PolarHBondContact OG-OD1 3.35Å
396	L	35.4	Very low	31.5	Very low	156 Å²	156	143.5 Å²	143.5	82%	0.817	79%	0.791	S	S	*	*			trans	79.8	130.4	173.7	-50.7	177	0	0	0	115.1
397	N	31.5	Very low	31.3	Very low	141 Å²	141	141.5 Å²	141.5	75%	0.754	78%	0.781	S	S	*	*			cis	-157.5	162.8	1	-144.8	-9.9	0	0	0	116
398	N	29.3	Very low	31.5	Very low	140 Å²	140	144.7 Å²	144.7	75%	0.749	78%	0.781	S	S	*	*			trans	75.6	171.4	156.5	-139.3	-9.6	0	0	0	119
399	S	32.3	Very low	31.5	Very low	90 Å²	90	141.8 Å²	141.8	63%	0.629	78%	0.775	S	S	*	*			trans	-148.8	153.2	-138.2	62.1	0	0	0	0	114.9
400	T	30.3	Very low	31.5	Very low	128 Å²	128	136.3 Å²	136.3	79%	0.785	76%	0.76	S	S	*	*			trans	-175.6	142	137.8	15.1	0	0	0	0	114.3
401	L	30.7	Very low	31.7	Very low	143 Å²	143	141.5 Å²	141.5	75%	0.749	76%	0.762	S	S	*	*			trans	69.8	127.4	146.1	-66	165	0	0	0	123.8
402	Q	29.5	Very low	31.4	Very low	177 Å²	177	134.4 Å²	134.4	83%	0.827	75%	0.749	S	S	*	*			trans	72.1	111.7	142.3	-68.5	177.1	-9.6	0	0	121.9
403	S	25.3	Very low	31.1	Very low	114 Å²	114	136 Å²	136	80%	0.797	75%	0.748	S	S	*	*			trans	-88.1	169.4	152.3	-43.8	0	0	0	0	110.8
404	P	43.1	Very low	31.1	Very low	123 Å²	123	137 Å²	137	80%	0.799	76%	0.756	S	S	*	*				-151.7	171.4	97.1	39.6	-23	0	0	0	117.1
405	A	31.8	Very low	30.8	Very low	83 Å²	83	135.2 Å²	135.2	69%	0.686	75%	0.748	S	S	*	*			trans	68.1	124.8	161.1	0	0	0	0	0	118.9
406	H	34.3	Very low	30.6	Very low	175 Å²	175	135.2 Å²	135.2	81%	0.81	75%	0.748	S	S	*	*				71.8	131	58.5	-74.8	-64	0	0	0	113
407	L	30.1	Very low	30.3	Very low	132 Å²	132	134.9 Å²	134.9	69%	0.691	74%	0.742	S	S	*	*			cis	-157.2	156.3	17.6	-95.6	133.6	0	0	0	112.2
408	K	31.3	Very low	30.2	Very low	188 Å²	188	136.5 Å²	136.5	82%	0.817	74%	0.742	S	S	*	*			trans	63.7	154.4	147.9	-73.3	174.5	177.9	177.1	0	118.4
409	V	29.1	Very low	30.1	Very low	115 Å²	115	136.3 Å²	136.3	70%	0.697	74%	0.737	S	S	*	*			cis	-154.5	152.2	-18.1	114.4	0	0	0	0	111.4
410	Q	27.9	Very low	30	Very low	133 Å²	133	142.2 Å²	142.2	62%	0.621	75%	0.745	S	S	*	*			trans	6.1	138	160.8	-55.6	174.7	-51.8	0	0	123.2
411	R	31.6	Very low	30.2	Very low	217 Å²	217	145.7 Å²	145.7	82%	0.819	74%	0.744	S	S	*	*			trans	64.3	157.3	130.1	-71.2	173.9	-177.2	170.6	-1.1	120.6
412	S	28.2	Very low	30	Very low	86 Å²	86	148.8 Å²	148.8	60%	0.601	75%	0.752	S	S	*	*			cis	179.8	135.9	-37.2	51.9	0	0	0	0	109.8
413	I	26.1	Very low	30.4	Very low	167 Å²	167	145 Å²	145	86%	0.856	75%	0.745	S	S	*	*			trans	52.4	116.2	151.4	-52	158.5	0	0	0	118.2
414	S	28.1	Very low	30.8	Very low	120 Å²	120	146 Å²	146	84%	0.839	74%	0.742	S	S	*	*				-179.8	174.3	113.2	-154.8	0	0	0	0	113.3
415	A	28.4	Very low	30.5	Very low	78 Å²	78	148.8 Å²	148.8	65%	0.645	74%	0.743	S	S	*	*			trans	-78.4	-176.5	169	0	0	0	0	0	110.9
416	N	28.6	Very low	30.6	Very low	133 Å²	133	149.6 Å²	149.6	71%	0.711	75%	0.75	S	S	*	*			cis	-169.1	156.2	30.5	-151.5	-3	0	0	0	113.8
417	Q	28.5	Very low	30.2	Very low	150 Å²	150	144.5 Å²	144.5	70%	0.701	75%	0.745	S	S	*	*			trans	44.6	147.8	147.4	-89.4	-178.2	22.3	0	0	125.3
418	K	29.1	Very low	31.5	Very low	174 Å²	174	144.4 Å²	144.4	76%	0.757	75%	0.752	S	S	*	*			trans	77.6	164.3	156.1	-71.7	177.2	179.9	178	0	120.1
419	Q	28.3	Very low	31.5	Very low	137 Å²	137	140.1 Å²	140.1	64%	0.64	75%	0.746	S	S	*	*			cis	-177.5	107.4	-40.2	178.5	175.2	11.6	0	0	112.4
420	R	30.2	Very low	32	Very low	213 Å²	213	142.7 Å²	142.7	80%	0.804	75%	0.754	S	S	*	*			trans	60.8	175.2	171.1	-51.7	176.2	171.8	177.5	-2.1	113.9
421	R	33.6	Very low	33.3	Very low	201 Å²	201	141.9 Å²	141.9	76%	0.758	76%	0.76	S	S	*	*			cis	-160	159.1	-7.3	-144.1	-177.3	-173.6	179.2	-0.5	108
422	F	27.5	Very low	34.7	Very low	208 Å²	208	137.5 Å²	137.5	91%	0.912	76%	0.76	S	S	*	*			trans	-174.4	169.7	137.8	-103.2	-66.5	0	0	0	110.8
423	S	37.7	Very low	35.1	Very low	97 Å²	97	137.9 Å²	137.9	68%	0.678	77%	0.768	S	S	*	*			trans	-177.2	148.1	-169.7	53.2	0	0	0	0	112
424	D	33.2	Very low	35.7	Very low	137 Å²	137	135.9 Å²	135.9	73%	0.733	76%	0.764	S	S	*	*			trans	-153	135.3	173.1	-107	-54.1	0	0	0	116.4
425	H	36.9	Very low	36.1	Very low	180 Å²	180	134.8 Å²	134.8	83%	0.833	76%	0.756	S	S	*	*			trans	57	179.4	163.8	-70.7	72.5	0	0	0	117.6
426	A	33.4	Very low	36.4	Very low	101 Å²	101	140.4 Å²	140.4	84%	0.835	76%	0.762	S	S	*	*			cis	-145.5	-158	4.4	0	0	0	0	0	112.6
427	G	25.9	Very low	36.8	Very low	67 Å²	67	139.7 Å²	139.7	69%	0.691	76%	0.762	S	S	*	*			trans	-170.1	-172.6	174.5	0	0	0	0	0	112.9
428	P	57	Low	37.4	Very low	131 Å²	131	142.1 Å²	142.1	85%	0.851	77%	0.771	S	S	*	*			cis	-120	-136.5	6.2	34.6	-11.2	0	0	0	111.8
429	S	31.3	Very low	37.8	Very low	97 Å²	97	144.7 Å²	144.7	68%	0.678	78%	0.775	S	S	*	*			cis	-165.3	147.3	0.2	35.3	0	0	0	0	114.5
430	I	40	Very low	38.9	Very low	170 Å²	170	143.4 Å²	143.4	87%	0.872	78%	0.779	S	S	*	*			trans	48	98.2	145.8	-55.1	-179.8	0	0	0	121.2
431	P	56.7	Low	39.3	Very low	115 Å²	115	142.1 Å²	142.1	75%	0.747	78%	0.782	S	S	*	*			trans	-130.7	160.3	162.2	40.3	-27.5	0	0	0	116.2
432	P	60.4	Low	39.5	Very low	126 Å²	126	136.7 Å²	136.7	82%	0.818	78%	0.78	S	S	*	*			trans	-93.2	-167.5	168.8	40.9	-37	0	0	0	111.8
433	A	37.1	Very low	39.6	Very low	93 Å²	93	134.8 Å²	134.8	77%	0.769	78%	0.78	S	S	*	*			cis	-151.2	-139.7	13.8	0	0	0	0	0	113.5
434	V	38.3	Very low	39.6	Very low	126 Å²	126	135.3 Å²	135.3	76%	0.764	78%	0.783	S	S	*	*			trans	-145.3	158.6	-166.9	-107.6	0	0	0	0	111.7	Y436	V434-Y436 HydrophobicContact CG1-CD2 4.47Å; V434-Y436 HydrophobicContact CG1-CE2 4.39Å
435	S	36.2	Very low	39.6	Very low	97 Å²	97	135.9 Å²	135.9	68%	0.678	79%	0.791	S	S	*	*			cis	-156.7	141.5	17.9	-106.1	0	0	0	0	116.6
436	Y	33.9	Very low	39.7	Very low	196 Å²	196	136.2 Å²	136.2	77%	0.769	79%	0.793	S	S	*	*				42.7	124.8	130	-70	-95.6	0	0	0	122	V434	V434-Y436 HydrophobicContact CG1-CD2 4.47Å; V434-Y436 HydrophobicContact CG1-CE2 4.39Å
437	T	37.4	Very low	39.6	Very low	117 Å²	117	137.4 Å²	137.4	72%	0.718	80%	0.796	S	S	*	*				93.1	161.2	51.8	61.1	0	0	0	0	115.3
438	K	40.6	Very low	40	Very low	202 Å²	202	142.5 Å²	142.5	88%	0.878	80%	0.801	S	S	*	*			cis	-177.3	173.8	-26	-171.1	175.1	-177.2	-173	0	108.9
439	R	38.1	Very low	38.7	Very low	227 Å²	227	144.1 Å²	144.1	86%	0.857	80%	0.797	S	S	*	*			trans	-89.9	165.2	179.2	-42.6	173.8	179.8	160.1	-4.9	115.9
440	P	52	Low	38.6	Very low	110 Å²	110	147 Å²	147	71%	0.714	80%	0.798	S	S	*	*			trans	-83.5	178	144.9	37.6	-35.5	0	0	0	112.1
441	Q	38	Very low	38.2	Very low	186 Å²	186	145.8 Å²	145.8	87%	0.869	79%	0.788	S	S	*	*			cis	95.5	147.6	6.6	-157.4	160.9	-16.2	0	0	117.9
442	A	37.1	Very low	36.9	Very low	87 Å²	87	148.3 Å²	148.3	72%	0.719	79%	0.79	S	S	*	*			trans	-146.4	174.3	-175.7	0	0	0	0	0	110.9
443	N	30	Very low	35.4	Very low	169 Å²	169	152.5 Å²	152.5	90%	0.904	79%	0.79	S	S	*	*			trans	-161.4	179.8	173.7	-113.4	-4.5	0	0	0	114.9
444	S	38.8	Very low	35.1	Very low	108 Å²	108	152.8 Å²	152.8	76%	0.755	78%	0.778	S	S	*	*			trans	-139.1	160.7	-167.3	-174.9	0	0	0	0	113.4
445	V	33.3	Very low	34.8	Very low	148 Å²	148	154 Å²	154	90%	0.897	77%	0.773	S	S	*	*			trans	-157.9	161.8	166.2	-109.8	0	0	0	0	112.8
446	E	37.3	Very low	34.6	Very low	187 Å²	187	155.7 Å²	155.7	87%	0.874	78%	0.775	S	S	*	*			trans	-111.5	162.7	-178	-58.4	169.7	106.9	0	0	113.2
447	S	32	Very low	34.4	Very low	127 Å²	127	152 Å²	152	89%	0.888	77%	0.773	S	S	*	*			trans	-178.2	175.4	143.6	-83.1	0	0	0	0	112.4
448	E	33.4	Very low	34.1	Very low	173 Å²	173	150.5 Å²	150.5	81%	0.808	77%	0.772	S	S	*	*			trans	-106.9	-178	-159	-50.8	179.3	110	0	0	117
449	Q	29.7	Very low	33.7	Very low	165 Å²	165	152.4 Å²	152.4	77%	0.771	77%	0.774	S	S	*	*			trans	91.6	105.6	151.4	-69	-179.2	38.7	0	0	122.4
450	K	29.8	Very low	33.3	Very low	158 Å²	158	150.4 Å²	150.4	69%	0.687	77%	0.772	S	S	*	*				76.6	139.4	116.2	-134.3	-177.3	178.4	-125.7	0	122.9
451	E	31.5	Very low	32.2	Very low	144 Å²	144	153.6 Å²	153.6	67%	0.673	78%	0.781	S	S	*	*			trans	66.8	95.3	151.7	-86.9	152.3	-170.4	0	0	122.8
452	E	30.5	Very low	31.7	Very low	168 Å²	168	148.1 Å²	148.1	79%	0.785	78%	0.775	S	S	*	*				4.6	125.1	126.2	-177	175	-139.4	0	0	119.9
453	W	27.4	Very low	31.5	Very low	214 Å²	214	149.2 Å²	149.2	81%	0.811	78%	0.777	S	S	*	*				-172.9	115.2	116.7	-154.9	-96.2	0	0	0	113.9
454	D	31.6	Very low	31.5	Very low	99 Å²	99	147.2 Å²	147.2	53%	0.529	77%	0.771	S	S	.	*			trans	48.9	135.3	137.2	-141.5	24.9	0	0	0	125.4
455	K	32.6	Very low	31.4	Very low	151 Å²	151	147.8 Å²	147.8	66%	0.657	77%	0.771	S	S	*	*			trans	69.1	124.8	143.5	-86.6	175.2	-162.3	72.8	0	126.3
456	D	30.5	Very low	31.5	Very low	134 Å²	134	147 Å²	147	72%	0.717	77%	0.766	S	S	*	*				93.1	132.1	122.3	-80	-33.1	0	0	0	126.3
457	V	30.7	Very low	31.2	Very low	118 Å²	118	141.4 Å²	141.4	72%	0.715	76%	0.759	S	S	*	*			trans	60.6	84.4	143.7	-173.2	0	0	0	0	120.7
458	A	31.3	Very low	31.5	Very low	86 Å²	86	140.7 Å²	140.7	71%	0.711	75%	0.754	S	S	*	*				18.6	124.8	127.9	0	0	0	0	0	122
459	R	32.6	Very low	31.5	Very low	241 Å²	241	141.2 Å²	141.2	91%	0.909	75%	0.753	S	S	*	*			trans	-173.7	164.7	132.7	-92.3	140.2	-170.1	179	5.2	109.3
460	K	28.6	Very low	31.6	Very low	186 Å²	186	137.3 Å²	137.3	81%	0.809	74%	0.744	S	S	*	*			cis	174.3	111.9	-36.5	174	-166.5	175.9	-171.8	0	107
461	L	30.3	Very low	31.6	Very low	176 Å²	176	137.4 Å²	137.4	92%	0.921	75%	0.747	S	S	*	*			trans	-175.3	144.7	159.7	-120.9	70.6	0	0	0	104.8
462	G	27.8	Very low	31.5	Very low	71 Å²	71	138.5 Å²	138.5	73%	0.732	75%	0.754	S	S	*	*			cis	115.7	139.1	13.5	0	0	0	0	0	110
463	S	31.8	Very low	31.4	Very low	110 Å²	110	136.3 Å²	136.3	77%	0.769	75%	0.752	S	S	*	*			cis	-174	127.5	-11.1	171.3	0	0	0	0	111.4
464	T	31	Very low	31.5	Very low	127 Å²	127	130.6 Å²	130.6	78%	0.779	75%	0.751	S	S	*	*			trans	-159.7	111.1	157.6	38.3	0	0	0	0	108
465	T	35.1	Very low	31.7	Very low	121 Å²	121	131.5 Å²	131.5	74%	0.742	77%	0.765	S	S	*	*				61.5	135.6	81.7	62	0	0	0	0	113.3
466	V	35.3	Very low	32.5	Very low	131 Å²	131	129.7 Å²	129.7	79%	0.794	77%	0.768	S	S	*	*			cis	-128.4	138.3	15	174.8	0	0	0	0	108.4
467	G	32.2	Very low	32.5	Very low	70 Å²	70	130.7 Å²	130.7	72%	0.722	77%	0.773	S	S	*	*				76	137.9	78.6	0	0	0	0	0	111.3
468	S	38.3	Very low	32.3	Very low	112 Å²	112	131.7 Å²	131.7	78%	0.783	78%	0.779	S	S	*	*			cis	-156.1	171.3	20	-70	0	0	0	0	108.8
469	K	33.8	Very low	32.1	Very low	184 Å²	184	130.6 Å²	130.6	80%	0.8	78%	0.776	S	S	*	*			cis	-157	132.6	2.5	-128.9	177.2	-179.4	-176	0	106.9
470	S	31.8	Very low	33.1	Very low	82 Å²	82	124.9 Å²	124.9	57%	0.573	77%	0.77	S	S	*	*				66.9	144.2	106.6	73.2	0	0	0	0	117.6
471	E	29.7	Very low	33.2	Very low	160 Å²	160	122.3 Å²	122.3	75%	0.748	76%	0.761	S	S	*	*			cis	-161.9	144.6	-11.4	-111	160.2	145	0	0	106.4
472	M	28	Very low	33.3	Very low	168 Å²	168	122.4 Å²	122.4	83%	0.828	75%	0.749	S	S	*	*				54.7	145.7	92	-60.4	-174.4	178.4	0	0	115.1
473	T	28.4	Very low	33.6	Very low	122 Å²	122	126.6 Å²	126.6	75%	0.748	75%	0.747	S	S	*	*			cis	-144.3	145.3	8.9	14.9	0	0	0	0	108.8
474	A	31	Very low	33.8	Very low	94 Å²	94	130.7 Å²	130.7	78%	0.777	75%	0.751	S	S	*	*				58.7	126.7	84.7	0	0	0	0	0	116.2
475	S	36.1	Very low	33.7	Very low	118 Å²	118	129.3 Å²	129.3	83%	0.825	75%	0.746	S	S	*	*			trans	-72.4	168	-178.5	-32.4	0	0	0	0	113.4
476	P	49.3	Very low	33.6	Very low	112 Å²	112	128.6 Å²	128.6	73%	0.727	75%	0.746	S	S	*	*				-157.9	167.1	81	43.1	-23.7	0	0	0	119.3
477	L	28.5	Very low	33.3	Very low	156 Å²	156	128 Å²	128	82%	0.817	74%	0.743	S	S	*	*			trans	59.4	136.3	141	-83.8	160.4	0	0	0	124.5
478	V	28.2	Very low	33.3	Very low	138 Å²	138	131.9 Å²	131.9	84%	0.836	75%	0.746	S	S	*	*			trans	77.2	139.5	157.2	-179.5	0	0	0	0	118.5
479	G	26.9	Very low	34	Very low	63 Å²	63	132 Å²	132	65%	0.649	74%	0.744	S	S	*	*			trans	-108.5	-139.8	175	0	0	0	0	0	112.3
480	P	52.2	Low	34	Very low	121 Å²	121	128.6 Å²	128.6	79%	0.786	74%	0.743	S	S	*	*			cis	-136.9	-159.6	10.1	40.4	-19.3	0	0	0	114.4
481	E	31.5	Very low	34	Very low	133 Å²	133	131.3 Å²	131.3	62%	0.621	75%	0.751	S	S	*	*			trans	74.7	136.5	170.3	-55.6	-129.5	116.8	0	0	116.1
482	R	33.3	Very low	34	Very low	178 Å²	178	131.3 Å²	131.3	67%	0.672	76%	0.756	S	S	*	*			cis	-162.9	-179.5	3.7	-110.2	168.5	179.2	158.1	14	107.2
483	K	33.7	Very low	34.3	Very low	158 Å²	158	127.2 Å²	127.2	69%	0.687	74%	0.741	S	S	*	*			cis	-163.7	140.1	8.1	-131	159.3	-175.1	170.5	0	108.6
484	K	34.8	Very low	34.4	Very low	197 Å²	197	131.4 Å²	131.4	86%	0.857	74%	0.744	S	S	*	*			trans	66.2	148.6	162.1	-67.6	-174.2	175.1	-172.4	0	118.6
485	S	30.4	Very low	34.3	Very low	97 Å²	97	132.1 Å²	132.1	68%	0.678	74%	0.744	S	S	*	*			cis	-165	153	-9.3	40.7	0	0	0	0	114
486	S	31.7	Very low	33.9	Very low	106 Å²	106	130.5 Å²	130.5	74%	0.741	75%	0.746	S	S	*	*			trans	61.9	142.6	154.4	49.8	0	0	0	0	121.3
487	T	30	Very low	32.9	Very low	120 Å²	120	129.2 Å²	129.2	74%	0.736	75%	0.753	S	S	*	*			cis	-165.7	125.3	-24.2	-48	0	0	0	0	104.4
488	I	31.5	Very low	33	Very low	151 Å²	151	126.9 Å²	126.9	77%	0.774	75%	0.75	S	S	*	*				61	144.9	68.3	-70.5	177.3	0	0	0	112.3
489	P	52.7	Low	33.2	Very low	115 Å²	115	129 Å²	129	75%	0.747	75%	0.752	S	S	*	*			cis	-119.1	-169.5	10.3	14.2	13.1	0	0	0	113.1
490	S	33.3	Very low	33.3	Very low	112 Å²	112	130.3 Å²	130.3	78%	0.783	76%	0.757	S	S	*	*			cis	-173.4	171.2	-18.8	-95.4	0	0	0	0	107
491	N	32.7	Very low	32.3	Very low	139 Å²	139	134.9 Å²	134.9	74%	0.743	76%	0.759	S	S	*	*			cis	-170.3	150.7	-35.8	-174.2	23.7	0	0	0	106.3
492	N	29.5	Very low	32.3	Very low	159 Å²	159	138.4 Å²	138.4	85%	0.85	77%	0.766	S	S	*	*			trans	-150.8	128.3	-179.7	-163.9	22.9	0	0	0	111.8
493	V	33.8	Very low	32	Very low	83 Å²	83	136.1 Å²	136.1	50%	0.503	77%	0.767	S	S	.	*			trans	-152.1	151	-173.7	-158.4	0	0	0	0	111.8
494	Y	30.8	Very low	31.7	Very low	209 Å²	209	134 Å²	134	82%	0.82	77%	0.768	S	S	*	*			trans	76.3	149.2	169.2	-56.7	-66.9	0	0	0	118
495	S	28.3	Very low	31.5	Very low	110 Å²	110	134 Å²	134	77%	0.769	76%	0.764	S	S	*	*			cis	-172.4	149.4	-37.6	-116.5	0	0	0	0	111.4
496	G	29	Very low	31.2	Very low	84 Å²	84	135.5 Å²	135.5	87%	0.866	77%	0.769	S	S	*	*			trans	86.8	138.6	155.1	0	0	0	0	0	117.5
497	G	29.1	Very low	30.8	Very low	84 Å²	84	135.7 Å²	135.7	87%	0.866	77%	0.769	S	S	*	*			trans	154.9	129.5	177.2	0	0	0	0	0	110.4
498	S	29.6	Very low	30.6	Very low	108 Å²	108	136.5 Å²	136.5	76%	0.755	76%	0.764	S	S	*	*			trans	-133.3	141	-163.9	-168.8	0	0	0	0	114.7
499	M	31.3	Very low	30.4	Very low	182 Å²	182	138.6 Å²	138.6	90%	0.897	76%	0.762	S	S	*	*			trans	64.5	165.6	153.2	-82.6	-162	-168.1	0	0	121.7
500	A	29.8	Very low	29.2	Very low	91 Å²	91	138.2 Å²	138.2	75%	0.752	76%	0.758	S	S	*	*			trans	68.5	130.2	168.4	0	0	0	0	0	117.1
501	R	30.6	Very low	29	Very low	217 Å²	217	138.8 Å²	138.8	82%	0.819	76%	0.757	S	S	*	*			cis	102.6	108	24.8	-80.7	-172.5	170.5	-172	0.9	114
502	R	31.5	Very low	28.9	Very low	206 Å²	206	137.9 Å²	137.9	78%	0.777	75%	0.752	S	S	*	*			trans	76	152.9	136.4	-81.8	-173.2	175.5	145.2	-0.6	121.5
503	N	27.9	Very low	29	Very low	130 Å²	130	139.2 Å²	139.2	70%	0.695	75%	0.745	S	S	*	*			trans	73.6	136.1	165.4	-57.1	-6.9	0	0	0	115.6
504	T	28	Very low	29	Very low	113 Å²	113	144.3 Å²	144.3	69%	0.693	76%	0.757	S	S	*	*			cis	94.7	147.9	25.3	-55.4	0	0	0	0	113.2
505	Y	29.1	Very low	28.9	Very low	199 Å²	199	140.5 Å²	140.5	78%	0.78	76%	0.755	S	S	*	*			trans	79.9	123.4	-163.6	-52.4	-73.3	0	0	0	112.5
506	V	25.3	Very low	29	Very low	128 Å²	128	139 Å²	139	78%	0.776	75%	0.749	S	S	*	*			cis	70.7	114.4	44.6	-175.4	0	0	0	0	109.4
507	C	23.6	Very low	29.1	Very low	109 Å²	109	142.2 Å²	142.2	74%	0.736	75%	0.746	S	S	*	*				-154.2	-158.3	53.2	-148.8	0	0	0	0	114.9
508	E	24.2	Very low	29.2	Very low	137 Å²	137	145.5 Å²	145.5	64%	0.64	74%	0.739	S	S	*	*			trans	-45.9	170.8	173.4	-57.5	173.8	169.5	0	0	116
509	R	29.3	Very low	29.2	Very low	195 Å²	195	147.6 Å²	147.6	74%	0.736	74%	0.741	S	S	*	*			cis	-165.2	152.8	29.4	-153.4	176.9	-88.5	-172.5	-8.5	114.3
510	T	26.7	Very low	29.1	Very low	107 Å²	107	142.1 Å²	142.1	66%	0.656	73%	0.732	S	S	*	*			trans	44	133.4	150	48.4	0	0	0	0	123.7
511	T	30	Very low	29.2	Very low	124 Å²	124	147.8 Å²	147.8	76%	0.761	74%	0.739	S	S	*	*			trans	63.8	145	139.4	54.4	0	0	0	0	120.2
512	D	29.3	Very low	29.2	Very low	121 Å²	121	144.7 Å²	144.7	65%	0.647	74%	0.739	S	S	*	*			cis	-156.9	162.5	-11.2	-139.7	-5.4	0	0	0	111.6
513	R	32.7	Very low	29.2	Very low	186 Å²	186	139.9 Å²	139.9	70%	0.702	74%	0.737	S	S	*	*			trans	55.9	131.4	145.7	-75.1	167	-168.3	-124	-8	124.2
514	Y	32.5	Very low	29.3	Very low	190 Å²	190	138.5 Å²	138.5	75%	0.745	74%	0.738	S	S	*	*			trans	82.4	120.1	140	-80.7	-128.5	0	0	0	117.1
515	V	30.2	Very low	29.6	Very low	129 Å²	129	140.4 Å²	140.4	78%	0.782	74%	0.743	S	S	*	*				79.3	127.3	69.5	161.9	0	0	0	0	111.6
516	A	29.9	Very low	29.9	Very low	78 Å²	78	135.9 Å²	135.9	65%	0.645	74%	0.736	S	S	*	*			cis	-168.6	-165.4	-12.9	0	0	0	0	0	108.6
517	L	31.5	Very low	30.3	Very low	152 Å²	152	136.1 Å²	136.1	80%	0.796	73%	0.728	S	S	*	*			trans	73.9	151	164.3	-53.3	176.4	0	0	0	116.1
518	Q	29.9	Very low	30.6	Very low	154 Å²	154	138 Å²	138	72%	0.72	73%	0.728	S	S	*	*			cis	-163.4	156.3	-29.4	-130.2	175.2	-0.8	0	0	109.7
519	N	30.8	Very low	30.9	Very low	152 Å²	152	137.3 Å²	137.3	81%	0.813	74%	0.738	S	S	*	*			trans	58.3	145.2	165.4	-62	-6.9	0	0	0	118.8
520	G	29.4	Very low	31	Very low	67 Å²	67	133.3 Å²	133.3	69%	0.691	74%	0.735	S	S	*	*			cis	138.3	121.8	-9.6	0	0	0	0	0	113.8
521	K	31.8	Very low	31.2	Very low	209 Å²	209	133.1 Å²	133.1	91%	0.909	74%	0.739	S	S	*	*			trans	-164.4	130.8	153.1	-125.5	172.6	-176.4	175.8	0	111.8
522	D	29.8	Very low	31.3	Very low	152 Å²	152	132.2 Å²	132.2	81%	0.813	74%	0.737	S	S	*	*			trans	-106.6	160.5	-169.5	-46.9	-89.2	0	0	0	113.5
523	S	31.8	Very low	31.4	Very low	106 Å²	106	134.5 Å²	134.5	74%	0.741	75%	0.748	S	S	*	*			trans	-169.4	108	145.5	-73.8	0	0	0	0	106.1
524	S	30.6	Very low	31.4	Very low	101 Å²	101	131.1 Å²	131.1	71%	0.706	75%	0.752	S	S	*	*				65	150.5	73.3	82.4	0	0	0	0	112.4
525	L	33.2	Very low	31.5	Very low	153 Å²	153	127.5 Å²	127.5	80%	0.801	76%	0.755	S	S	*	*			cis	-134.2	175.4	18.7	-62.2	158.7	0	0	0	109.1
526	T	35.7	Very low	31.6	Very low	104 Å²	104	126.4 Å²	126.4	64%	0.638	76%	0.759	S	S	*	*			cis	-166.5	-177.9	-30.4	42.4	0	0	0	0	105
527	E	34.2	Very low	31.5	Very low	132 Å²	132	126.5 Å²	126.5	62%	0.617	77%	0.768	S	S	*	*			cis	-159	-160.4	-2.5	-124.7	161.2	-65.2	0	0	106.4
528	M	29.5	Very low	31.5	Very low	149 Å²	149	124.8 Å²	124.8	73%	0.734	77%	0.769	S	S	*	*			cis	-147.3	130.5	5.8	-146.6	171.6	-153.3	0	0	112.3
529	S	29.3	Very low	31.4	Very low	122 Å²	122	122.7 Å²	122.7	85%	0.853	77%	0.771	S	S	*	*			trans	-169.3	118.3	160.6	-80.4	0	0	0	0	109.4
530	V	33	Very low	31.3	Very low	111 Å²	111	122.5 Å²	122.5	67%	0.673	78%	0.775	S	S	*	*			trans	-147.2	142.5	-176.6	-159.5	0	0	0	0	105.3
531	S	29.5	Very low	31.3	Very low	104 Å²	104	123.1 Å²	123.1	73%	0.727	77%	0.774	S	S	*	*			cis	-135.7	157.6	29.6	-50.1	0	0	0	0	110.6
532	S	32.9	Very low	31.2	Very low	104 Å²	104	118.8 Å²	118.8	73%	0.727	77%	0.77	S	S	*	*			cis	65.5	136.9	44.1	-50.5	0	0	0	0	111.9
533	I	30.7	Very low	31.2	Very low	170 Å²	170	115.9 Å²	115.9	87%	0.872	77%	0.767	S	S	*	*			cis	-141.2	166.8	38.5	-69.7	160.3	0	0	0	111.4
534	S	33.5	Very low	31.4	Very low	114 Å²	114	117.3 Å²	117.3	80%	0.797	77%	0.771	S	S	*	*			trans	-140	136.9	-177.8	53.3	0	0	0	0	115.9
535	S	35	Very low	32.5	Very low	114 Å²	114	117.9 Å²	117.9	80%	0.797	77%	0.772	S	S	*	*			trans	-171.2	138.7	157.9	46.5	0	0	0	0	107.8
536	A	32.3	Very low	32.5	Very low	106 Å²	106	116 Å²	116	88%	0.876	77%	0.772	S	S	*	*			cis	90.3	111.7	36.1	0	0	0	0	0	113.6
537	G	27.9	Very low	32.3	Very low	80 Å²	80	116 Å²	116	83%	0.825	78%	0.782	S	S	*	*			trans	144.2	98	169.7	0	0	0	0	0	117.2
538	S	29.8	Very low	32.1	Very low	117 Å²	117	119.9 Å²	119.9	82%	0.818	79%	0.791	S	S	*	*			trans	11.7	134	151.9	-53.8	0	0	0	0	124.4
539	S	28.5	Very low	33.2	Very low	109 Å²	109	118 Å²	118	76%	0.762	79%	0.791	S	S	*	*				88.6	144.4	125.9	70	0	0	0	0	124.4
540	V	29.3	Very low	33.6	Very low	148 Å²	148	121.3 Å²	121.3	90%	0.897	78%	0.784	S	S	*	*			trans	63.7	171.6	166.8	-132.2	0	0	0	0	117.2
541	A	30.2	Very low	33.9	Very low	81 Å²	81	122.1 Å²	122.1	67%	0.669	78%	0.78	S	S	*	*			trans	-140.1	170.7	-157.8	0	0	0	0	0	114
542	S	29.7	Very low	34.1	Very low	118 Å²	118	123.8 Å²	123.8	83%	0.825	78%	0.777	S	S	*	*			trans	74.4	138.9	161.1	57.4	0	0	0	0	120.8
543	A	28.6	Very low	34.3	Very low	91 Å²	91	126.7 Å²	126.7	75%	0.752	78%	0.776	S	S	*	*			trans	67.2	129.6	166.3	0	0	0	0	0	117.7
544	V	36.6	Very low	34.7	Very low	136 Å²	136	123.6 Å²	123.6	82%	0.824	77%	0.77	S	S	*	*			cis	67.4	126.1	38.7	-177.6	0	0	0	0	110.7
545	P	52.8	Low	34.6	Very low	112 Å²	112	125.8 Å²	125.8	73%	0.727	77%	0.769	S	S	*	*			cis	-142.8	167.8	31.9	35.3	-13	0	0	0	119.8
546	S	33.2	Very low	34.5	Very low	114 Å²	114	124.7 Å²	124.7	80%	0.797	76%	0.762	S	S	*	*			trans	46.2	125.8	134.4	-178.2	0	0	0	0	123.5
547	A	31.4	Very low	34.6	Very low	104 Å²	104	125.6 Å²	125.6	86%	0.86	76%	0.756	S	S	*	*			trans	-138.3	142.9	130.5	0	0	0	0	0	112
548	R	31.4	Very low	34.8	Very low	213 Å²	213	127.4 Å²	127.4	80%	0.804	76%	0.756	S	S	*	*			trans	-118.1	-175.2	171.8	-116.6	-173.1	175	178	-0	107.5
549	P	51.1	Low	34.8	Very low	111 Å²	111	125.4 Å²	125.4	72%	0.721	75%	0.754	S	S	*	*			cis	-122	176.6	10.8	41.5	-25.3	0	0	0	113.1
550	R	38.7	Very low	35.1	Very low	191 Å²	191	129.2 Å²	129.2	72%	0.721	76%	0.76	S	S	*	*			cis	-142.3	-167.2	30.7	-45.5	179.3	76.1	110.8	1.5	110
551	H	39.4	Very low	36	Very low	127 Å²	127	127.3 Å²	127.3	59%	0.588	75%	0.75	S	S	*	*			cis	-140.5	-94.7	-8.9	-150.1	-152.4	0	0	0	113.9
552	Q	33.6	Very low	36	Very low	140 Å²	140	130.5 Å²	130.5	65%	0.654	75%	0.754	S	S	*	*			trans	-158.9	157.5	-158.1	-77.4	-170.4	-9.4	0	0	110.7
553	K	36.5	Very low	36.1	Very low	165 Å²	165	133.8 Å²	133.8	72%	0.717	75%	0.754	S	S	*	*			cis	-157.3	141.1	8.6	-130.3	167.7	-175.7	176.8	0	111.5
554	S	38.8	Very low	36.2	Very low	105 Å²	105	135.4 Å²	135.4	73%	0.734	75%	0.754	S	S	*	*			trans	58.8	146.1	149.2	-59.4	0	0	0	0	121.9
555	M	32.4	Very low	35.8	Very low	160 Å²	160	135 Å²	135	79%	0.788	75%	0.752	S	S	*	*			cis	-158.5	138.8	-11.9	-95.6	-110.1	-77.5	0	0	110.1
556	S	32.9	Very low	35	Very low	91 Å²	91	137.1 Å²	137.1	64%	0.636	76%	0.756	S	S	*	*				43	145.3	129.7	-47.4	0	0	0	0	123
557	T	33.3	Very low	35.3	Very low	124 Å²	124	136.8 Å²	136.8	76%	0.761	75%	0.752	S	S	*	*			cis	-169.1	144.7	-6.1	17.1	0	0	0	0	112.4
558	S	33.2	Very low	35.2	Very low	118 Å²	118	137.6 Å²	137.6	83%	0.825	75%	0.746	S	S	*	*			trans	27	138.1	146.9	63.9	0	0	0	0	124.5
559	G	28.1	Very low	35.3	Very low	75 Å²	75	134.4 Å²	134.4	77%	0.773	74%	0.744	S	S	*	*			trans	159.4	128.6	148.4	0	0	0	0	0	117.9
560	H	34.8	Very low	34.4	Very low	190 Å²	190	139 Å²	139	88%	0.88	75%	0.752	S	S	*	*			trans	-108.4	-175.2	156.6	-54.3	-65.7	0	0	0	108.3
561	P	49.4	Very low	34	Very low	107 Å²	107	137.3 Å²	137.3	70%	0.695	76%	0.757	S	S	*	*			cis	-143.1	-161.2	-0.9	43.4	-22.2	0	0	0	115.5
562	I	30.5	Very low	33.5	Very low	148 Å²	148	134.4 Å²	134.4	76%	0.759	76%	0.761	S	S	*	*			trans	76	104.3	152.2	-69.1	171.3	0	0	0	121.4
563	K	30.6	Very low	33.3	Very low	188 Å²	188	133 Å²	133	82%	0.817	77%	0.767	S	S	*	*				65.3	147.5	113.9	-134.4	-171.3	-173.4	-177.8	0	123.5
564	V	31.5	Very low	33	Very low	125 Å²	125	134.1 Å²	134.1	76%	0.758	78%	0.775	S	S	*	*			trans	66.7	155.5	164.5	-120	0	0	0	0	116.6
565	T	28.5	Very low	32.7	Very low	126 Å²	126	133.6 Å²	133.6	77%	0.773	78%	0.777	S	S	*	*			cis	-152.1	171.2	7.4	-37.8	0	0	0	0	112.9
566	L	35.2	Very low	32.6	Very low	157 Å²	157	137.2 Å²	137.2	82%	0.822	78%	0.783	S	S	*	*			trans	-63.7	151.9	162.2	-97.5	79.3	0	0	0	113
567	P	40.1	Very low	32.7	Very low	108 Å²	108	143.8 Å²	143.8	70%	0.701	79%	0.794	S	S	*	*				-148.2	179.5	119.1	39.3	-24.9	0	0	0	114.4
568	T	29	Very low	33.2	Very low	121 Å²	121	143.6 Å²	143.6	74%	0.742	80%	0.795	S	S	*	*				-161.4	141.3	-51.1	41.3	0	0	0	0	110.4
569	I	33.9	Very low	33	Very low	146 Å²	146	141.3 Å²	141.3	75%	0.749	79%	0.79	S	S	*	*			trans	23.7	132.7	146.7	-56.6	166.4	0	0	0	120.4
570	K	31	Very low	33.1	Very low	208 Å²	208	143.8 Å²	143.8	90%	0.904	79%	0.79	S	S	*	*			trans	-156.6	150.3	137.3	-121.5	178.1	-175.8	-176.6	0	114.4
571	D	31	Very low	33	Very low	155 Å²	155	140.2 Å²	140.2	83%	0.829	78%	0.782	S	S	*	*			trans	-94.7	172.5	-170	-53.6	-88.3	0	0	0	115.4
572	G	28.6	Very low	32.1	Very low	65 Å²	65	142.4 Å²	142.4	67%	0.67	78%	0.783	S	S	*	*			trans	133.7	109.8	165.8	0	0	0	0	0	111.8
573	S	30.5	Very low	32.2	Very low	111 Å²	111	146 Å²	146	78%	0.776	79%	0.787	S	S	*	*			cis	84.7	128.5	39.6	83.6	0	0	0	0	114.7
574	E	30.5	Very low	32.4	Very low	189 Å²	189	143.4 Å²	143.4	88%	0.883	79%	0.786	S	S	*	*			trans	67.4	123.5	175	-49.9	-172.6	146.4	0	0	114.9
575	A	32.6	Very low	33.3	Very low	93 Å²	93	142.9 Å²	142.9	77%	0.769	79%	0.786	S	S	*	*			cis	84.7	88.9	29.8	0	0	0	0	0	115.3
576	Y	28.8	Very low	33.5	Very low	236 Å²	236	141.6 Å²	141.6	93%	0.925	79%	0.788	S	S	*	*			trans	-151.7	139.3	157.7	-127	-96.5	0	0	0	113.2
577	R	35.1	Very low	33.3	Very low	229 Å²	229	138.9 Å²	138.9	86%	0.864	79%	0.788	S	S	*	*			trans	-117.8	167.5	162.3	-95.2	-175.3	171.2	-170.7	-0.4	105.9
578	P	44.8	Very low	33	Very low	121 Å²	121	139.5 Å²	139.5	79%	0.786	80%	0.795	S	S	*	*			cis	-147	-176.2	24	42.4	-22.3	0	0	0	117.1
579	G	27.9	Very low	33.9	Very low	69 Å²	69	139.3 Å²	139.3	71%	0.711	80%	0.796	S	S	*	*			trans	82.3	164	149.3	0	0	0	0	0	118.3
580	T	30.4	Very low	34	Very low	127 Å²	127	137.7 Å²	137.7	78%	0.779	80%	0.797	S	S	*	*			cis	-155.6	139.3	-7.8	-34.1	0	0	0	0	111.3
581	T	34.1	Very low	34.2	Very low	116 Å²	116	131.4 Å²	131.4	71%	0.712	78%	0.784	S	S	*	*			trans	17	134.3	159.5	59.4	0	0	0	0	122.6
582	Q	30.6	Very low	34.4	Very low	153 Å²	153	132.6 Å²	132.6	72%	0.715	78%	0.784	S	S	*	*				173.6	156.1	103.2	-96.2	-163.4	36.2	0	0	116.1
583	R	31.8	Very low	34.7	Very low	224 Å²	224	134.7 Å²	134.7	85%	0.845	79%	0.789	S	S	*	*			trans	78.4	148.2	149.6	-78.7	172.9	-173.1	-170	-3.1	123.4
584	V	35.2	Very low	34.8	Very low	132 Å²	132	137.7 Å²	137.7	80%	0.8	80%	0.795	S	S	*	*			trans	-113.3	157.7	175.8	-166.3	0	0	0	0	104
585	P	49.3	Very low	34.8	Very low	115 Å²	115	133.8 Å²	133.8	75%	0.747	79%	0.788	S	S	*	*			cis	-149.7	174.5	38	43.9	-22.1	0	0	0	120.5
586	A	33	Very low	34.7	Very low	99 Å²	99	136.4 Å²	136.4	82%	0.818	79%	0.794	S	S	*	*			trans	10.3	145.6	149	0	0	0	0	0	123.8
587	A	31.8	Very low	34.9	Very low	100 Å²	100	129.5 Å²	129.5	83%	0.826	79%	0.786	S	S	*	*			trans	-159	148.1	133.1	0	0	0	0	0	112.3
588	S	33	Very low	35.1	Very low	120 Å²	120	125.2 Å²	125.2	84%	0.839	79%	0.786	S	S	*	*			trans	-149.2	145.6	167.1	-63.6	0	0	0	0	110.6
589	P	48.7	Very low	35.4	Very low	117 Å²	117	125.2 Å²	125.2	76%	0.76	79%	0.786	S	S	*	*			trans	-130.2	120.4	148.9	30.4	-14.4	0	0	0	111
590	S	35.4	Very low	35.8	Very low	112 Å²	112	127.6 Å²	127.6	78%	0.783	78%	0.782	S	S	*	*				79	147.2	86.6	79.6	0	0	0	0	114.5
591	A	35.3	Very low	36.1	Very low	76 Å²	76	130.6 Å²	130.6	63%	0.628	78%	0.779	S	S	*	*			cis	-175.9	-171.3	-15.3	0	0	0	0	0	109.1
592	H	34.9	Very low	36.3	Very low	180 Å²	180	130.8 Å²	130.8	83%	0.833	78%	0.78	S	S	*	*			trans	87.1	113.2	179.1	-51.5	85.4	0	0	0	114.6
593	S	34.8	Very low	36.3	Very low	110 Å²	110	134.4 Å²	134.4	77%	0.769	79%	0.787	S	S	*	*			cis	105.9	107.3	5.9	-51.1	0	0	0	0	116.6
594	I	32.4	Very low	36.4	Very low	174 Å²	174	133.3 Å²	133.3	89%	0.892	79%	0.789	S	S	*	*			trans	-147.7	148.2	144.1	-60.5	-170.7	0	0	0	107.8
595	S	31.6	Very low	37.3	Very low	106 Å²	106	132.1 Å²	132.1	74%	0.741	78%	0.784	S	S	*	*			trans	-136.3	154.2	-175.2	-53	0	0	0	0	113.5
596	T	30.7	Very low	36.6	Very low	148 Å²	148	138.6 Å²	138.6	91%	0.908	79%	0.794	S	S	*	*			trans	172	155.8	152.8	24.3	0	0	0	0	109.2
597	A	31.8	Very low	36.5	Very low	91 Å²	91	137 Å²	137	75%	0.752	79%	0.787	S	S	*	*			cis	-167.1	161	-30	0	0	0	0	0	109.4
598	T	39.4	Very low	36.3	Very low	140 Å²	140	138.3 Å²	138.3	86%	0.859	79%	0.79	S	S	*	*			trans	-143.7	153.7	178.7	52.5	0	0	0	0	114.5
599	P	52.4	Low	36.2	Very low	121 Å²	121	138.3 Å²	138.3	79%	0.786	79%	0.79	S	S	*	*				-136.6	172.9	124.4	26.6	-6.4	0	0	0	112.4
600	D	34.7	Very low	35.3	Very low	119 Å²	119	137.8 Å²	137.8	64%	0.636	79%	0.789	S	S	*	*			cis	92.1	140.6	15	-146.8	47.3	0	0	0	114.9
601	R	36.3	Very low	35.1	Very low	190 Å²	190	143.9 Å²	143.9	72%	0.717	80%	0.795	S	S	*	*			cis	-157.8	164.1	8.8	-153.7	170.5	-163.6	81.8	4.1	113.2
602	T	38.6	Very low	34.9	Very low	119 Å²	119	145 Å²	145	73%	0.73	80%	0.798	S	S	*	*			trans	79.5	158	162.2	78.8	0	0	0	0	119.3
603	R	32	Very low	34.7	Very low	229 Å²	229	142.2 Å²	142.2	86%	0.864	79%	0.794	S	S	*	*			cis	-155.1	164.8	8.8	-138.5	169.5	-152.9	173.2	7	112.5
604	F	33	Very low	34.4	Very low	201 Å²	201	146.2 Å²	146.2	88%	0.882	80%	0.798	S	S	*	*			trans	-116	-172.5	177.7	-83.4	-76.5	0	0	0	111.3
605	P	55.2	Low	34.5	Very low	107 Å²	107	146.3 Å²	146.3	70%	0.695	79%	0.794	S	S	*	*			cis	-146	-167.8	9.4	40	-16.1	0	0	0	119.2
606	R	34.3	Very low	34.3	Very low	251 Å²	251	144.7 Å²	144.7	95%	0.947	79%	0.794	S	S	*	*			trans	86.3	141.4	162.8	-62.9	170.7	175.5	166.8	-1.9	118.8
607	G	29.2	Very low	34.1	Very low	65 Å²	65	146.5 Å²	146.5	67%	0.67	79%	0.793	S	S	*	*			cis	165.6	157.3	-13.7	0	0	0	0	0	116.1
608	S	29.6	Very low	34.2	Very low	129 Å²	129	150.7 Å²	150.7	90%	0.902	80%	0.796	S	S	*	*			trans	61.8	152.8	165	71.1	0	0	0	0	119.3
609	S	29.6	Very low	33.6	Very low	119 Å²	119	151.8 Å²	151.8	83%	0.832	80%	0.796	S	S	*	*			cis	-153.3	-175.5	3.1	-156.7	0	0	0	0	113
610	S	29.8	Very low	32.9	Very low	107 Å²	107	157.2 Å²	157.2	75%	0.748	80%	0.801	S	S	*	*			trans	-79.4	173.5	-165.8	-47.1	0	0	0	0	119.3
611	R	30.9	Very low	32.8	Very low	239 Å²	239	157.8 Å²	157.8	90%	0.902	80%	0.8	S	S	*	*			trans	100.2	107.2	155	-73.3	-176.3	161.3	-172.5	-4.4	121.2
612	S	32	Very low	32.9	Very low	99 Å²	99	159 Å²	159	69%	0.692	80%	0.804	S	S	*	*				54.9	139.7	103.7	-163.3	0	0	0	0	123.6
613	T	30.2	Very low	32.9	Very low	122 Å²	122	161.6 Å²	161.6	75%	0.748	80%	0.801	S	S	*	*			trans	83.7	124.3	142.2	27.6	0	0	0	0	124.2
614	F	28.6	Very low	33.1	Very low	195 Å²	195	155.2 Å²	155.2	86%	0.855	79%	0.792	S	S	*	*			trans	85.5	167.1	142.5	-108.9	-105.2	0	0	0	123.4
615	H	34.3	Very low	33.3	Very low	176 Å²	176	152.6 Å²	152.6	82%	0.815	79%	0.792	S	S	*	*			trans	-90.5	163.6	-162.2	-73.7	-90.3	0	0	0	115.6
616	G	27.8	Very low	32.4	Very low	72 Å²	72	152 Å²	152	74%	0.742	80%	0.796	S	S	*	*			trans	-150.6	156.6	164.3	0	0	0	0	0	112.8
617	E	26.5	Very low	32.3	Very low	186 Å²	186	150 Å²	150	87%	0.869	79%	0.79	S	S	*	*			trans	-69.1	155.2	-172.2	-72.4	150	130.9	0	0	114.1
618	Q	33	Very low	32.6	Very low	178 Å²	178	153.1 Å²	153.1	83%	0.832	79%	0.791	S	S	*	*			cis	82	116.6	38.5	-162.7	-166.9	117.5	0	0	115.2
619	L	28.1	Very low	32.7	Very low	164 Å²	164	150.2 Å²	150.2	86%	0.859	78%	0.781	S	S	*	*			trans	-160.1	159.4	145.8	-134.4	92.3	0	0	0	113.4
620	R	37	Very low	34.1	Very low	234 Å²	234	150.3 Å²	150.3	88%	0.883	78%	0.779	S	S	*	*			trans	-139.9	173.4	168.2	-82.9	-179.3	168.1	165.1	-2.8	106.4
621	E	32.9	Very low	36	Very low	131 Å²	131	151.1 Å²	151.1	61%	0.612	78%	0.782	S	S	*	*			cis	-135.2	178.7	29.4	-92.5	-166.8	90.4	0	0	110.7	R623	E621-R623 IonicContact OE1-NH1 2.66Å; E621-R623 PolarHBondContact OE1-NH1 2.72Å
622	R	38	Very low	36.3	Very low	215 Å²	215	144.6 Å²	144.6	81%	0.811	78%	0.779	S	S	*	*				60	149	53.4	-99.5	178.3	-173	-96.8	-0.7	112.1
623	R	39	Very low	36.8	Very low	175 Å²	175	145.4 Å²	145.4	66%	0.66	79%	0.785	S	S	*	*			cis	-176	-176.9	39.4	-150.8	176.1	179	141.9	-14.1	113.9	E621	E621-R623 IonicContact OE1-NH1 2.66Å; E621-R623 PolarHBondContact OE1-NH1 2.72Å
624	S	35.3	Very low	37.7	Very low	95 Å²	95	146 Å²	146	66%	0.664	79%	0.79	S	S	*	*			trans	85	160.3	144.7	-70.5	0	0	0	0	118.1
625	V	37.3	Very low	38	Very low	146 Å²	146	141.3 Å²	141.3	89%	0.885	78%	0.782	S	S	*	*			cis	-126.3	-169.1	21.7	-148.5	0	0	0	0	113.4
626	A	36.9	Very low	37.9	Very low	94 Å²	94	141.6 Å²	141.6	78%	0.777	78%	0.783	S	S	*	*			trans	-152.5	-175.1	-178.5	0	0	0	0	0	110.7
627	Y	31.7	Very low	38	Very low	210 Å²	210	146.3 Å²	146.3	82%	0.824	79%	0.786	S	S	*	*			trans	-143.4	-172.2	-170.1	-156.8	-114.3	0	0	0	115.3
628	N	36.2	Very low	38.3	Very low	129 Å²	129	143.7 Å²	143.7	69%	0.69	78%	0.783	S	S	*	*			trans	-69.1	173.9	-171.4	-66.5	-26	0	0	0	115
629	G	30.8	Very low	38.1	Very low	68 Å²	68	138.9 Å²	138.9	70%	0.701	78%	0.781	S	S	*	*			cis	-164.2	-168.5	17.1	0	0	0	0	0	117.2
630	P	59	Low	38.3	Very low	122 Å²	122	135.1 Å²	135.1	79%	0.792	77%	0.773	S	S	*	*			trans	-137.7	-163.8	-147.6	41.2	-19.8	0	0	0	115.7
631	P	70.4	Confident	37.9	Very low	124 Å²	124	134.1 Å²	134.1	81%	0.805	78%	0.776	S	S	*	*				-142.8	179.3	-62.3	43.4	-27.5	0	0	0	115.8
632	A	37.4	Very low	37.8	Very low	101 Å²	101	131 Å²	131	84%	0.835	77%	0.773	S	S	*	*			trans	-164.4	166.6	152	0	0	0	0	0	113.3
633	S	41.5	Very low	37.6	Very low	117 Å²	117	129.9 Å²	129.9	82%	0.818	78%	0.776	S	S	*	*			trans	-119.6	178.7	-171.2	-45.6	0	0	0	0	113.8
634	P	51	Low	37.2	Very low	134 Å²	134	125.2 Å²	125.2	87%	0.87	78%	0.775	S	S	*	*				-151.6	-158.3	75.2	41.6	-19.4	0	0	0	115.9
635	S	33.5	Very low	36.9	Very low	97 Å²	97	131.8 Å²	131.8	68%	0.678	79%	0.785	S	S	*	*			trans	-146.9	162.3	-168.4	52.3	0	0	0	0	114.9
636	H	32.9	Very low	36.6	Very low	181 Å²	181	136.6 Å²	136.6	84%	0.838	79%	0.787	S	S	*	*			trans	162.8	156.6	133.9	-95.4	-78.8	0	0	0	115.8
637	E	28.5	Very low	36.2	Very low	172 Å²	172	135.2 Å²	135.2	80%	0.804	78%	0.782	S	S	*	*			trans	-112.9	-174.1	169.5	-59.5	-173	132.1	0	0	109.8
638	T	33.3	Very low	36.2	Very low	131 Å²	131	131.9 Å²	131.9	80%	0.804	78%	0.783	S	S	*	*			cis	-163.6	165.5	27.7	17.8	0	0	0	0	113.1
639	G	29.4	Very low	36.1	Very low	76 Å²	76	130.6 Å²	130.6	78%	0.784	79%	0.785	S	S	*	*			trans	109.4	157.8	143.2	0	0	0	0	0	119
640	A	32.1	Very low	36.3	Very low	85 Å²	85	134.3 Å²	134.3	70%	0.702	79%	0.794	S	S	*	*			cis	-167.8	148	-18.5	0	0	0	0	0	111.9
641	F	29.6	Very low	34.9	Very low	214 Å²	214	131.7 Å²	131.7	94%	0.939	79%	0.789	S	S	*	*			trans	44.2	162	161.2	-56.5	-71.6	0	0	0	121.9
642	A	30.6	Very low	33.3	Very low	66 Å²	66	133.2 Å²	133.2	55%	0.545	79%	0.789	S	S	.	*			cis	-171.4	167.9	-38	0	0	0	0	0	110
643	H	32.7	Very low	33.5	Very low	191 Å²	191	135.6 Å²	135.6	88%	0.884	79%	0.786	S	S	*	*			trans	68	157.9	170.6	-61.3	86.8	0	0	0	117.6
644	A	30	Very low	32.9	Very low	76 Å²	76	135.9 Å²	135.9	63%	0.628	79%	0.788	S	S	*	*			cis	-166.7	147.8	-30.8	0	0	0	0	0	113.4
645	R	30.3	Very low	32.1	Very low	233 Å²	233	138 Å²	138	88%	0.879	78%	0.784	S	S	*	*			trans	60.3	123.5	151.7	-67.7	176	179.5	-175.1	1.6	123.2
646	R	31	Very low	32.3	Very low	248 Å²	248	141.1 Å²	141.1	94%	0.936	79%	0.791	S	S	*	*			trans	61.8	141.1	134.6	-69.6	-173.1	175	-175.5	-1.1	122.4
647	G	28.9	Very low	32.2	Very low	64 Å²	64	138.1 Å²	138.1	66%	0.66	79%	0.785	S	S	*	*			trans	123.9	113	163.1	0	0	0	0	0	111.1
648	T	31.8	Very low	32.4	Very low	140 Å²	140	135.6 Å²	135.6	86%	0.859	79%	0.787	S	S	*	*				81.7	151.4	52.9	65.4	0	0	0	0	115.5
649	S	32.8	Very low	32.6	Very low	102 Å²	102	138.2 Å²	138.2	71%	0.713	79%	0.787	S	S	*	*			trans	62.7	99.5	170.1	50.4	0	0	0	0	119.9
650	T	34.5	Very low	32.7	Very low	146 Å²	146	144.9 Å²	144.9	90%	0.896	80%	0.795	S	S	*	*				34.2	124.4	121.8	56.9	0	0	0	0	121.2
651	G	30.7	Very low	32.7	Very low	68 Å²	68	145.8 Å²	145.8	70%	0.701	79%	0.792	S	S	*	*				134.9	123	117.4	0	0	0	0	0	120.8
652	I	37.5	Very low	32.9	Very low	156 Å²	156	147.7 Å²	147.7	80%	0.8	79%	0.793	S	S	*	*			trans	73.3	102.5	131.5	-55.5	175.9	0	0	0	120
653	I	39.9	Very low	33	Very low	150 Å²	150	154.6 Å²	154.6	77%	0.769	81%	0.805	S	S	*	*			trans	51.2	121.3	135.2	-49.9	172.8	0	0	0	120.4
654	S	29.6	Very low	32.7	Very low	123 Å²	123	151.1 Å²	151.1	86%	0.86	80%	0.802	S	S	*	*			trans	-142.7	150.5	145.9	52.2	0	0	0	0	111.7
655	K	35	Very low	32.8	Very low	179 Å²	179	152.9 Å²	152.9	78%	0.778	81%	0.805	S	S	*	*			trans	-107.1	141.4	-168.2	-53.9	164.7	-175.7	166.9	0	112.4	T657	K655-T657 HydrophobicContact CB-CG2 4.44Å
656	I	37.3	Very low	32.8	Very low	163 Å²	163	147.9 Å²	147.9	84%	0.836	81%	0.806	S	S	*	*			trans	-141.7	117.5	151.5	-59.4	-177.6	0	0	0	105.2
657	T	31.2	Very low	32.6	Very low	117 Å²	117	139.3 Å²	139.3	72%	0.718	80%	0.795	S	S	*	*			cis	83.8	73.7	36.9	76.9	0	0	0	0	115.6	K655	K655-T657 HydrophobicContact CB-CG2 4.44Å
658	S	32.4	Very low	32.9	Very low	120 Å²	120	145.3 Å²	145.3	84%	0.839	81%	0.806	S	S	*	*			trans	-151.3	119.3	142.5	58	0	0	0	0	110.4
659	K	37.6	Very low	33.2	Very low	185 Å²	185	144.3 Å²	144.3	80%	0.804	80%	0.801	S	S	*	*			trans	-97.4	143.8	161.3	-69.6	179.9	179.9	176.7	0	107.6
660	F	31.4	Very low	33.5	Very low	216 Å²	216	148.6 Å²	148.6	95%	0.947	81%	0.807	S	S	*	*			trans	-128.2	140.2	139.1	-119.1	-86.2	0	0	0	109.1
661	V	32.2	Very low	33.8	Very low	105 Å²	105	150.3 Å²	150.3	64%	0.636	81%	0.805	S	S	*	*			trans	-124.1	133.5	-174.9	173.3	0	0	0	0	107.8	R663	V661-R663 HydrophobicContact CG1-CB 4.28Å
662	R	33.4	Very low	34.1	Very low	254 Å²	254	158.4 Å²	158.4	96%	0.958	82%	0.815	S	S	*	*			trans	-131.2	127	149.2	-140.3	173.3	-170.2	175.2	2.9	107.9
663	R	32.5	Very low	34.1	Very low	210 Å²	210	157.6 Å²	157.6	79%	0.792	81%	0.812	S	S	*	*			trans	-123.4	125	-174.6	-174.6	-172.4	-168.9	-170.9	3.9	107.9	V661 T665	V661-R663 HydrophobicContact CG1-CB 4.28Å; R663-T665 HydrophobicContact CG-CG2 4.18Å
664	S	26.7	Very low	33.9	Very low	119 Å²	119	160.1 Å²	160.1	83%	0.832	82%	0.817	S	S	*	*			trans	-123	153.2	163	-60.8	0	0	0	0	107.6
665	T	31.1	Very low	34.4	Very low	113 Å²	113	163 Å²	163	69%	0.693	82%	0.817	S	S	*	*			trans	-128.4	109.6	-153.4	47.8	0	0	0	0	115.1	R663	R663-T665 HydrophobicContact CG-CG2 4.18Å
666	S	30.4	Very low	34.7	Very low	127 Å²	127	161.2 Å²	161.2	89%	0.888	81%	0.811	S	S	*	*			trans	-169.9	149.9	153.6	49.7	0	0	0	0	107.9
667	G	27.7	Very low	34.9	Very low	69 Å²	69	156.2 Å²	156.2	71%	0.711	80%	0.8	S	S	*	*			cis	176	95.5	-9.9	0	0	0	0	0	110.2
668	E	34.8	Very low	35.6	Very low	190 Å²	190	158.9 Å²	158.9	89%	0.888	80%	0.802	S	S	*	*			trans	62.2	171.8	177.5	-54.2	-152.3	123.6	0	0	116.8
669	P	37.6	Very low	36.6	Very low	118 Å²	118	159.1 Å²	159.1	77%	0.766	79%	0.794	S	S	*	*				-120.9	156.6	-58.1	34.5	-25	0	0	0	113.3
670	K	39.2	Very low	38	Very low	192 Å²	192	152.4 Å²	152.4	84%	0.835	77%	0.77	S	S	*	*			trans	-94	96.9	177.1	-98.4	-164.8	166.7	-160.3	0	112.2
671	E	41	Very low	40.5	Very low	183 Å²	183	149.5 Å²	149.5	86%	0.855	76%	0.757	S	S	*	*			trans	-144.8	107.4	158.3	-72.1	-157.1	138.3	0	0	111.9
672	R	37.7	Very low	43.1	Very low	238 Å²	238	145.5 Å²	145.5	90%	0.898	73%	0.733	S	S	*	*			trans	-177.2	-26.7	156.1	-104.8	159.3	-155.1	-138.1	1.4	114.7	K674	R672-K674 PolarHBondContact O-N 3.45Å
673	D	36.7	Very low	45.7	Very low	138 Å²	138	138 Å²	138	74%	0.738	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	48.8	-170	-51.6	-21.5	0	0	0	115.8
674	K	36.1	Very low	48.2	Very low	204 Å²	204	131.5 Å²	131.5	89%	0.887	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.7	-10.1	177.2	-85.6	-168.1	174.4	-179.2	0	117.6	R672	R672-K674 PolarHBondContact O-N 3.45Å
675	E	39.3	Very low	50.5	Low	182 Å²	182	128.2 Å²	128.2	85%	0.85	67%	0.665	S	S	*	*	S	Bend	trans	-101.3	-17.5	175.7	-68.4	-163.6	123.1	0	0	115.1	G677	E675-G677 PolarHBondContact O-N 2.98Å
676	E	41.9	Very low	52.4	Low	142 Å²	142	130.3 Å²	130.3	66%	0.664	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	1.4	177.8	-66.6	-152.5	152.1	0	0	115.2	K678 S680	E676-K678 PolarHBondContact O-N 2.95Å; E676-S680 PolarHBondContact O-N 3.41Å
677	G	41.1	Very low	54.4	Low	59 Å²	59	124.9 Å²	124.9	61%	0.608	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	-38.7	-171.4	0	0	0	0	0	114.8	E675 S680	E675-G677 PolarHBondContact O-N 2.98Å; G677-S680 PolarHBondContact O-OG 3.5Å
678	K	47.1	Very low	56.2	Low	173 Å²	173	122.6 Å²	122.6	75%	0.752	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-44	-177.5	-96.5	-170	170.8	-170.8	0	113.9	E676 S680	E676-K678 PolarHBondContact O-N 2.95Å; K678-S680 VanDerWaalsContact C-N 3.28Å; K678-S680 PolarHBondContact O-N 3.05Å
679	D	52.1	Low	58.2	Low	125 Å²	125	118.2 Å²	118.2	67%	0.668	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	5.1	-172.7	-59.1	-46.3	0	0	0	114.4	K681 R722	D679-K681 PolarHBondContact O-N 3.16Å; D679-R722 VanDerWaalsContact O-CD 3.28Å; D679-R722 WeakPolarHBondContact O-CD 3.18Å
680	S	68.7	Low	60	Low	43 Å²	43	113.3 Å²	113.3	30%	0.301	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-12.1	176.7	61.4	0	0	0	0	115.2	E676 G677 K678	E676-S680 PolarHBondContact O-N 3.41Å; G677-S680 PolarHBondContact O-OG 3.5Å; K678-S680 VanDerWaalsContact C-N 3.28Å; K678-S680 PolarHBondContact O-N 3.05Å
681	K	82.7	Confident	61.7	Low	156 Å²	156	112.2 Å²	112.2	68%	0.678	54%	0.537	S	S	*	.	S	Bend	trans	-135.6	146.8	-169.8	-67.7	164.8	-169.9	163.6	0	112.9	D679 F723	D679-K681 PolarHBondContact O-N 3.16Å; K681-F723 VanDerWaalsContact C-CE2 3.42Å
682	P	87.9	Confident	63.7	Low	21 Å²	21	110 Å²	110	14%	0.136	52%	0.524	C	S	.	.			trans	-53.3	140.6	170.2	-31.7	38.8	0	0	0	114.1	P699 F723 V744 K746	P682-P699 HydrophobicContact CG-CB 3.56Å; P682-P699 HydrophobicContact CG-CG 3.39Å; P682-F723 HydrophobicContact CG-CD1 4.48Å; P682-F723 HydrophobicContact CG-CD2 4.21Å; P682-F723 HydrophobicContact CG-CE2 4.29Å; P682-F723 HydrophobicContact CG-CG 4.31Å; P682-F723 HydrophobicContact CG-CZ 4.46Å; P682-V744 WeakPolarHBondContact CB-O 3.21Å; P682-V744 HydrophobicContact CG-CG1 4.29Å; P682-K746 HydrophobicContact CB-CB 4.3Å
683	R	88	Confident	66	Low	95 Å²	95	98.9 Å²	98.9	36%	0.358	48%	0.483	S	S	.	.			trans	-63.5	139.4	173.8	-68.6	-164.6	-73.5	-124.9	-7.8	111	L685 E721 E743 C745 K746	R683-L685 HydrophobicContact CB-CD1 4.43Å; R683-L685 HydrophobicContact CB-CD2 4.3Å; R683-L685 HydrophobicContact CB-CG 3.97Å; R683-L685 PolarHBondContact O-N 3.49Å; R683-E721 IonicContact CZ-OE1 3.61Å; R683-E721 IonicContact CZ-OE2 2.97Å; R683-E721 IonicContact NE-OE2 2.99Å; R683-E721 IonicContact NH1-OE1 3.43Å; R683-E721 PolarHBondContact NH1-OE1 2.68Å; R683-E721 IonicContact NH1-OE2 2.72Å; R683-E721 PolarHBondContact NH1-OE2 2.93Å; R683-E721 IonicContact NH2-OE1 3.3Å; R683-E721 PolarHBondContact NH2-OE1 3.36Å; R683-E721 IonicContact NH2-OE2 3.24Å; R683-E721 PolarHBondContact NH2-OE2 3.05Å; R683-E743 IonicContact CZ-OE1 2.64Å; R683-E743 VanDerWaalsContact CZ-OE1 3.26Å; R683-E743 IonicContact CZ-OE2 2.69Å; R683-E743 IonicContact NE-OE1 2.75Å; R683-E743 PolarHBondContact NE-OE1 3.02Å; R683-E743 IonicContact NE-OE2 3.6Å; R683-E743 IonicContact NH2-OE1 2.91Å; R683-E743 PolarHBondContact NH2-OE1 2.79Å; R683-E743 IonicContact NH2-OE2 2.7Å; R683-E743 PolarHBondContact NH2-OE2 2.69Å; R683-C745 CarbonylContact O-C 3.6Å; R683-C745 WeakPolarHBondContact O-CA 3.43Å; R683-K746 PolarHBondContact O-N 2.66Å
684	S	84	Confident	68.5	Low	75 Å²	75	93.4 Å²	93.4	52%	0.524	45%	0.454	S	S	.	.	B	Isolated β-bridge	trans	-86.2	82.3	177.4	176.7	0	0	0	0	110.6
685	L	76.5	Confident	71.1	Confident	49 Å²	49	84.2 Å²	84.2	26%	0.257	42%	0.416	S	S	.	.			trans	-101.4	140.4	-175.6	-61.3	-175	0	0	0	112.8	R683 F687 C745	R683-L685 HydrophobicContact CB-CD1 4.43Å; R683-L685 HydrophobicContact CB-CD2 4.3Å; R683-L685 HydrophobicContact CB-CG 3.97Å; R683-L685 PolarHBondContact O-N 3.49Å; L685-F687 HydrophobicContact CB-CD1 4.21Å; L685-F687 WeakPolarHBondContact O-CD1 3.47Å; L685-C745 HydrophobicContact CB-CB 4.5Å
686	R	69.9	Low	73.5	Confident	157 Å²	157	80.6 Å²	80.6	59%	0.592	41%	0.41	S	S	*	.			trans	-87.1	106.5	166.3	-175.4	179.8	178.8	-165.3	-0.9	108.6	G192 D193	G192-R686 WeakPolarHBondContact O-CD 3.4Å; G192-R686 PolarHBondContact O-NH1 3.08Å; G192-R686 VanDerWaalsContact O-NH1 3.15Å; D193-R686 IonicContact OD1-CZ 3.11Å; D193-R686 IonicContact OD1-NH1 2.73Å; D193-R686 PolarHBondContact OD1-NH1 2.67Å; D193-R686 IonicContact OD1-NH2 2.76Å
687	F	72.1	Confident	75.9	Confident	13 Å²	13	76.5 Å²	76.5	6%	0.057	39%	0.392	C	S	.	.			trans	-144.6	175.6	178.5	73.8	-80	0	0	0	111.4	L685 W689 C745 L747 R756	L685-F687 HydrophobicContact CB-CD1 4.21Å; L685-F687 WeakPolarHBondContact O-CD1 3.47Å; F687-W689 HydrophobicContact CD2-CB 4.45Å; F687-W689 HydrophobicContact CE2-CB 3.83Å; F687-W689 HydrophobicContact CZ-CB 3.86Å; F687-W689 PolarHBondContact O-N 2.68Å; F687-C745 HydrophobicContact CD1-CB 4.19Å; F687-C745 HydrophobicContact CE1-CB 3.43Å; F687-C745 VanDerWaalsContact CE1-CB 3.43Å; F687-C745 HydrophobicContact CZ-CB 4.06Å; F687-L747 HydrophobicContact CD1-CD2 4.45Å; F687-L747 HydrophobicContact CE1-CD2 3.49Å; F687-L747 VanDerWaalsContact CE1-CD2 3.49Å; F687-L747 HydrophobicContact CZ-CD2 3.73Å; F687-R756 HydrophobicContact CB-CG 4.46Å; F687-R756 HydrophobicContact CD1-CB 4.49Å; F687-R756 HydrophobicContact CD2-CB 3.73Å; F687-R756 HydrophobicContact CD2-CG 3.72Å; F687-R756 HydrophobicContact CE1-CB 4.38Å; F687-R756 HydrophobicContact CE2-CB 3.59Å; F687-R756 HydrophobicContact CE2-CG 4.11Å; F687-R756 HydrophobicContact CG-CB 4.19Å; F687-R756 HydrophobicContact CG-CG 4.05Å; F687-R756 HydrophobicContact CZ-CB 3.94Å
688	T	66.4	Low	78.4	Confident	22 Å²	22	77.4 Å²	77.4	14%	0.135	38%	0.383	C	S	.	.			trans	-73	80.8	174.2	40.7	0	0	0	0	112.1	Y147 M194	Y147-T688 HydrophobicContact CD2-CG2 3.42Å; Y147-T688 VanDerWaalsContact CD2-CG2 3.42Å; Y147-T688 HydrophobicContact CE2-CG2 4.12Å; Y147-T688 HydrophobicContact CG-CG2 4.03Å; M194-T688 HydrophobicContact CE-CG2 3.49Å; M194-T688 VanDerWaalsContact CE-CG2 3.49Å
689	W	75.9	Confident	80.6	Confident	98 Å²	98	69.8 Å²	69.8	37%	0.371	35%	0.351	S	S	.	.			trans	-82.1	150	175	63.5	-88.4	0	0	0	112.1	H151 F687 M691 L747 L750	H151-W689 PolarHBondContact CE1-O 3.19Å; H151-W689 PolarHBondContact NE2-O 3.32Å; F687-W689 HydrophobicContact CD2-CB 4.45Å; F687-W689 HydrophobicContact CE2-CB 3.83Å; F687-W689 HydrophobicContact CZ-CB 3.86Å; F687-W689 PolarHBondContact O-N 2.68Å; W689-M691 HydrophobicContact CZ3-CG 3.96Å; W689-L747 HydrophobicContact CB-CD1 4.06Å; W689-L747 HydrophobicContact CB-CD2 3.64Å; W689-L747 HydrophobicContact CD2-CD1 3.83Å; W689-L747 HydrophobicContact CE3-CD1 4Å; W689-L747 HydrophobicContact CG-CD1 3.85Å; W689-L747 HydrophobicContact CG-CD2 3.81Å; W689-L747 HydrophobicContact CG-CG 4.48Å; W689-L750 HydrophobicContact CH2-CD1 3.69Å; W689-L750 HydrophobicContact CZ2-CD1 3.64Å; W689-L750 HydrophobicContact CZ3-CD1 4.16Å
690	S	76.1	Confident	82.6	Confident	15 Å²	15	66.7 Å²	66.7	11%	0.105	34%	0.335	C	S	.	.			trans	-117.6	151.5	174.8	90.2	0	0	0	0	110.7	A150 K692 T693 T694	A150-S690 WeakPolarHBondContact O-CB 3.38Å; S690-K692 PolarHBondContact O-N 3.03Å; S690-K692 PolarHBondContact OG-N 3.1Å; S690-T693 CarbonylContact O-C 3.37Å; S690-T693 PolarHBondContact O-N 2.91Å; S690-T693 VanDerWaalsContact O-N 3.12Å; S690-T693 PolarHBondContact O-OG1 3.04Å; S690-T693 PolarHBondContact OG-N 3.43Å; S690-T693 PolarHBondContact OG-OG1 2.83Å; S690-T694 WeakPolarHBondContact O-CB 3.4Å; S690-T694 PolarHBondContact O-N 3.4Å; S690-T694 PolarHBondContact O-OG1 3.13Å
691	M	75.1	Confident	83.9	Confident	169 Å²	169	67.4 Å²	67.4	83%	0.833	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-64.6	-21.8	174.2	-66.4	-175.6	77.2	0	0	113.3	W689 T693	W689-M691 HydrophobicContact CZ3-CG 3.96Å; M691-T693 VanDerWaalsContact C-N 3.3Å
692	K	81.9	Confident	84.5	Confident	135 Å²	135	60 Å²	60	59%	0.587	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-70.4	-28	174.3	-62.7	-178.8	176.3	-179.3	0	112.8	S690 N776	S690-K692 PolarHBondContact O-N 3.03Å; S690-K692 PolarHBondContact OG-N 3.1Å; K692-N776 PolarHBondContact NZ-OD1 3.41Å
693	T	85.8	Confident	84.9	Confident	5 Å²	5	59.1 Å²	59.1	3%	0.031	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-115.8	21.6	-171.3	58	0	0	0	0	112.1	S690 M691 G754 V755 F757 A775 L778	S690-T693 CarbonylContact O-C 3.37Å; S690-T693 PolarHBondContact O-N 2.91Å; S690-T693 VanDerWaalsContact O-N 3.12Å; S690-T693 PolarHBondContact O-OG1 3.04Å; S690-T693 PolarHBondContact OG-N 3.43Å; S690-T693 PolarHBondContact OG-OG1 2.83Å; M691-T693 VanDerWaalsContact C-N 3.3Å; T693-G754 CarbonylContact O-C 3.57Å; T693-G754 WeakPolarHBondContact O-CA 3.43Å; T693-V755 PolarHBondContact O-N 3.43Å; T693-F757 HydrophobicContact CG2-CE2 4.11Å; T693-A775 HydrophobicContact CG2-CB 3.73Å; T693-L778 HydrophobicContact CG2-CD1 4.45Å
694	T	89.8	Confident	85.3	Confident	23 Å²	23	62.3 Å²	62.3	14%	0.141	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	131.2	-178.2	-63.2	0	0	0	0	109.9	S690 L747 L752 N753	S690-T694 WeakPolarHBondContact O-CB 3.4Å; S690-T694 PolarHBondContact O-N 3.4Å; S690-T694 PolarHBondContact O-OG1 3.13Å; T694-L747 HydrophobicContact CG2-CD1 3.43Å; T694-L747 VanDerWaalsContact CG2-CD1 3.43Å; T694-L752 HydrophobicContact CG2-CB 3.86Å; T694-L752 HydrophobicContact CG2-CD1 3.79Å; T694-L752 HydrophobicContact CG2-CG 4.49Å; T694-N753 CarbonylContact C-O 3.57Å; T694-N753 WeakPolarHBondContact CA-O 2.95Å
695	S	90.7	Very high	86	Confident	11 Å²	11	60.1 Å²	60.1	8%	0.077	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	162.5	-176.5	179.4	0	0	0	0	113.6	M697 N753 L780	S695-M697 WeakPolarHBondContact OG-CB 3.36Å; S695-M697 PolarHBondContact OG-N 3.31Å; S695-N753 PolarHBondContact N-O 3.34Å; S695-N753 PolarHBondContact O-N 3.24Å; S695-L780 WeakPolarHBondContact CB-OXT 3.43Å; S695-L780 PolarHBondContact OG-OXT 3.32Å
696	S	90.7	Very high	87	Confident	106 Å²	106	57.8 Å²	57.8	74%	0.741	28%	0.278	S	S	*	.	S	Bend	trans	-89.5	-3.1	166.2	54.2	0	0	0	0	113.8
697	M	91.6	Very high	88.3	Confident	56 Å²	56	53.4 Å²	53.4	28%	0.276	26%	0.262	S	S	.	.	S	Bend	trans	-62.9	154.2	176.6	-175.6	162.6	62.4	0	0	111.8	S695 D701 M702 L780	S695-M697 WeakPolarHBondContact OG-CB 3.36Å; S695-M697 PolarHBondContact OG-N 3.31Å; M697-D701 HydrophobicContact CG-CB 4.06Å; M697-D701 HydrophobicContact SD-CB 4.07Å; M697-M702 HydrophobicContact CB-CG 4.22Å; M697-M702 HydrophobicContact CE-CG 3.97Å; M697-M702 HydrophobicContact CG-CG 4.42Å; M697-L780 HydrophobicContact CE-CB 4.36Å; M697-L780 HydrophobicContact CE-CD2 3.62Å
698	D	93.1	Very high	89.5	Confident	79 Å²	79	58 Å²	58	42%	0.422	28%	0.282	S	S	.	.			trans	-62.2	134.9	178	-176.9	-88.9	0	0	0	111.6	N700 D701 M702	D698-N700 PolarHBondContact O-N 3.14Å; D698-N700 VanDerWaalsContact O-N 3.15Å; D698-N700 VanDerWaalsContact OD1-CB 3.25Å; D698-N700 WeakPolarHBondContact OD1-CB 3.44Å; D698-N700 PolarHBondContact OD1-N 2.96Å; D698-N700 PolarHBondContact OD1-ND2 3.31Å; D698-D701 PolarHBondContact O-N 3.49Å; D698-M702 WeakPolarHBondContact O-CG 3.15Å; D698-M702 PolarHBondContact O-N 2.97Å
699	P	93.8	Very high	91	Very high	13 Å²	13	57.4 Å²	57.4	8%	0.084	28%	0.278	C	S	.	.	H	α-helix	trans	-54.1	-32.3	-179.7	-31.1	37.7	0	0	0	115.9	P682 D701 M703 F723 V744	P682-P699 HydrophobicContact CG-CB 3.56Å; P682-P699 HydrophobicContact CG-CG 3.39Å; P699-D701 VanDerWaalsContact C-N 3.35Å; P699-M703 VanDerWaalsContact O-CG 3.28Å; P699-M703 WeakPolarHBondContact O-CG 3.26Å; P699-M703 PolarHBondContact O-N 2.95Å; P699-F723 HydrophobicContact CB-CD1 3.8Å; P699-F723 HydrophobicContact CB-CE1 3.41Å; P699-F723 VanDerWaalsContact CB-CE1 3.41Å; P699-F723 HydrophobicContact CB-CZ 4.06Å; P699-V744 HydrophobicContact CB-CG1 4.06Å
700	N	94.1	Very high	92	Very high	60 Å²	60	52.7 Å²	52.7	32%	0.321	26%	0.26	S	S	.	.	H	α-helix	trans	-73	-32	180	-52.1	-92.9	0	0	0	110.7	D698 R704 R722	D698-N700 PolarHBondContact O-N 3.14Å; D698-N700 VanDerWaalsContact O-N 3.15Å; D698-N700 VanDerWaalsContact OD1-CB 3.25Å; D698-N700 WeakPolarHBondContact OD1-CB 3.44Å; D698-N700 PolarHBondContact OD1-N 2.96Å; D698-N700 PolarHBondContact OD1-ND2 3.31Å; N700-R704 PolarHBondContact O-N 2.96Å; N700-R704 VanDerWaalsContact O-N 3.14Å; N700-R722 PolarHBondContact OD1-NE 3.15Å; N700-R722 PolarHBondContact OD1-NH2 2.91Å
701	D	95.6	Very high	93	Very high	58 Å²	58	56.3 Å²	56.3	31%	0.31	28%	0.278	S	S	.	.	H	α-helix	trans	-81.1	-31.6	173.1	-73.9	-42.7	0	0	0	112.8	M697 D698 P699 M703 R704 E705	M697-D701 HydrophobicContact CG-CB 4.06Å; M697-D701 HydrophobicContact SD-CB 4.07Å; D698-D701 PolarHBondContact O-N 3.49Å; P699-D701 VanDerWaalsContact C-N 3.35Å; D701-M703 VanDerWaalsContact C-N 3.3Å; D701-M703 PolarHBondContact O-N 2.95Å; D701-R704 WeakPolarHBondContact O-CA 3.5Å; D701-R704 VanDerWaalsContact O-CB 3.29Å; D701-R704 WeakPolarHBondContact O-CB 3.39Å; D701-R704 PolarHBondContact O-N 3.29Å; D701-R704 IonicContact OD1-CZ 3.96Å; D701-R704 IonicContact OD1-NE 2.94Å; D701-R704 PolarHBondContact OD1-NE 2.98Å; D701-R704 IonicContact OD1-NH2 3.26Å; D701-R704 PolarHBondContact OD1-NH2 3.12Å; D701-E705 PolarHBondContact O-N 3.01Å
702	M	95.8	Very high	94.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-56.9	-45.6	165.2	-63.4	-177.4	76	0	0	110.9	M697 D698 R704 E705 I706 V744 N753 V755 L780	M697-M702 HydrophobicContact CB-CG 4.22Å; M697-M702 HydrophobicContact CE-CG 3.97Å; M697-M702 HydrophobicContact CG-CG 4.42Å; D698-M702 WeakPolarHBondContact O-CG 3.15Å; D698-M702 PolarHBondContact O-N 2.97Å; M702-R704 VanDerWaalsContact C-N 3.25Å; M702-R704 PolarHBondContact O-N 3.43Å; M702-E705 PolarHBondContact O-N 3.33Å; M702-I706 WeakPolarHBondContact O-CB 3.4Å; M702-I706 WeakPolarHBondContact O-CD1 3.45Å; M702-I706 WeakPolarHBondContact O-CG1 3.44Å; M702-I706 PolarHBondContact O-N 3.14Å; M702-V744 HydrophobicContact CB-CG1 4.45Å; M702-V744 HydrophobicContact CB-CG2 4.02Å; M702-V744 HydrophobicContact CE-CG1 4.31Å; M702-V744 HydrophobicContact SD-CG1 3.82Å; M702-N753 HydrophobicContact CE-CB 4.25Å; M702-N753 HydrophobicContact SD-CB 3.57Å; M702-N753 VanDerWaalsContact SD-CB 3.57Å; M702-V755 HydrophobicContact CE-CG2 3.98Å; M702-L780 HydrophobicContact CB-CD2 4.08Å; M702-L780 HydrophobicContact CE-CD1 4.01Å; M702-L780 HydrophobicContact CE-CD2 4.34Å; M702-L780 HydrophobicContact CG-CD2 4.11Å
703	M	96.9	Very high	94.7	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.015	25%	0.245	C	C	.	.	H	α-helix	trans	-63.5	-28.7	173.9	-70.2	-70.3	-73	0	0	112.9	P699 D701 I706 R707 F723 L725 V744	P699-M703 VanDerWaalsContact O-CG 3.28Å; P699-M703 WeakPolarHBondContact O-CG 3.26Å; P699-M703 PolarHBondContact O-N 2.95Å; D701-M703 VanDerWaalsContact C-N 3.3Å; D701-M703 PolarHBondContact O-N 2.95Å; M703-I706 HydrophobicContact SD-CD1 4.37Å; M703-R707 WeakPolarHBondContact O-CG 3.46Å; M703-R707 VanDerWaalsContact O-CZ 3.31Å; M703-R707 PolarHBondContact O-N 3.06Å; M703-R707 PolarHBondContact O-NE 3.49Å; M703-R707 PolarHBondContact O-NH2 2.79Å; M703-F723 HydrophobicContact CG-CD1 4.06Å; M703-L725 HydrophobicContact CE-CD1 4.48Å; M703-L725 HydrophobicContact CE-CD2 3.59Å; M703-L725 HydrophobicContact CE-CG 3.75Å; M703-V744 HydrophobicContact CG-CG2 4.01Å; M703-V744 HydrophobicContact SD-CG2 3.78Å
704	R	96.5	Very high	95.2	Very high	161 Å²	161	52.9 Å²	52.9	61%	0.608	28%	0.281	S	S	*	.	H	α-helix	trans	-69.4	-47.3	174.9	-164.5	-162.8	-54.3	-101	4.6	111.5	N700 D701 M702 R707 K708	N700-R704 PolarHBondContact O-N 2.96Å; N700-R704 VanDerWaalsContact O-N 3.14Å; D701-R704 WeakPolarHBondContact O-CA 3.5Å; D701-R704 VanDerWaalsContact O-CB 3.29Å; D701-R704 WeakPolarHBondContact O-CB 3.39Å; D701-R704 PolarHBondContact O-N 3.29Å; D701-R704 IonicContact OD1-CZ 3.96Å; D701-R704 IonicContact OD1-NE 2.94Å; D701-R704 PolarHBondContact OD1-NE 2.98Å; D701-R704 IonicContact OD1-NH2 3.26Å; D701-R704 PolarHBondContact OD1-NH2 3.12Å; M702-R704 VanDerWaalsContact C-N 3.25Å; M702-R704 PolarHBondContact O-N 3.43Å; R704-R707 PolarHBondContact O-N 3.21Å; R704-K708 WeakPolarHBondContact O-CB 3.49Å; R704-K708 PolarHBondContact O-N 3.07Å; R704-K708 VanDerWaalsContact O-N 3.15Å
705	E	97.3	Very high	95.6	Very high	29 Å²	29	52 Å²	52	14%	0.136	28%	0.276	C	S	.	.	H	α-helix	trans	-68.6	-37.1	177.6	-170.3	64.1	-169	0	0	111.8	D701 M702 R707 K708 V709 L778 K779 L780	D701-E705 PolarHBondContact O-N 3.01Å; M702-E705 PolarHBondContact O-N 3.33Å; E705-R707 PolarHBondContact O-N 3.4Å; E705-K708 PolarHBondContact O-N 3.47Å; E705-K708 IonicContact OE1-NZ 2.9Å; E705-K708 PolarHBondContact OE1-NZ 2.75Å; E705-K708 IonicContact OE2-NZ 2.66Å; E705-K708 PolarHBondContact OE2-NZ 3.23Å; E705-V709 HydrophobicContact CG-CG2 4.41Å; E705-V709 WeakPolarHBondContact O-CG2 3.47Å; E705-V709 PolarHBondContact O-N 2.86Å; E705-L778 HydrophobicContact CG-CD2 4.37Å; E705-K779 HydrophobicContact CG-CB 4.45Å; E705-L780 HydrophobicContact CB-CD2 4.2Å; E705-L780 HydrophobicContact CG-CD2 4.48Å
706	I	97.3	Very high	95.9	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-56.3	-51.5	173.6	-72	163.1	0	0	0	111.4	M702 M703 V709 L710 L725 M742 V744 V755 L778	M702-I706 WeakPolarHBondContact O-CB 3.4Å; M702-I706 WeakPolarHBondContact O-CD1 3.45Å; M702-I706 WeakPolarHBondContact O-CG1 3.44Å; M702-I706 PolarHBondContact O-N 3.14Å; M703-I706 HydrophobicContact SD-CD1 4.37Å; I706-V709 PolarHBondContact O-N 3.41Å; I706-L710 HydrophobicContact CG2-CD1 3.77Å; I706-L710 HydrophobicContact CG2-CG 4.46Å; I706-L710 WeakPolarHBondContact O-CG 3.35Å; I706-L710 PolarHBondContact O-N 3.03Å; I706-L725 HydrophobicContact CG2-CD1 3.66Å; I706-M742 HydrophobicContact CG1-CE 4.19Å; I706-M742 HydrophobicContact CG2-CE 3.62Å; I706-M742 HydrophobicContact CG2-SD 4.27Å; I706-V744 HydrophobicContact CD1-CG2 3.63Å; I706-V755 HydrophobicContact CD1-CG1 3.95Å; I706-V755 HydrophobicContact CD1-CG2 3.83Å; I706-V755 HydrophobicContact CG1-CG2 4.43Å; I706-L778 HydrophobicContact CB-CD2 4.36Å; I706-L778 HydrophobicContact CG1-CD2 3.7Å
707	R	97.9	Very high	96.2	Very high	65 Å²	65	55.8 Å²	55.8	25%	0.245	28%	0.281	C	S	.	.	H	α-helix	trans	-58.8	-49.9	178.1	-74.7	-176.7	-66.2	-106.3	-9.6	111.5	M703 R704 E705 V709 L710 D711 Y717 L725	M703-R707 WeakPolarHBondContact O-CG 3.46Å; M703-R707 VanDerWaalsContact O-CZ 3.31Å; M703-R707 PolarHBondContact O-N 3.06Å; M703-R707 PolarHBondContact O-NE 3.49Å; M703-R707 PolarHBondContact O-NH2 2.79Å; R704-R707 PolarHBondContact O-N 3.21Å; E705-R707 PolarHBondContact O-N 3.4Å; R707-V709 VanDerWaalsContact C-N 3.29Å; R707-V709 PolarHBondContact O-N 2.81Å; R707-L710 CarbonylContact O-C 3.59Å; R707-L710 WeakPolarHBondContact O-CA 3.3Å; R707-L710 WeakPolarHBondContact O-CB 3.49Å; R707-L710 PolarHBondContact O-N 2.77Å; R707-D711 PolarHBondContact O-N 3.4Å; R707-Y717 HydrophobicContact CB-CE1 4.45Å; R707-Y717 HydrophobicContact CB-CE2 4.14Å; R707-Y717 HydrophobicContact CG-CD2 4.17Å; R707-Y717 HydrophobicContact CG-CE2 3.53Å; R707-L725 HydrophobicContact CG-CD1 3.96Å
708	K	97.6	Very high	96.4	Very high	111 Å²	111	58 Å²	58	48%	0.483	29%	0.291	S	S	.	.	H	α-helix	trans	-56.5	-36.8	177.1	165.5	166.7	158.2	-82.5	0	113.9	R704 E705 D711 A712	R704-K708 WeakPolarHBondContact O-CB 3.49Å; R704-K708 PolarHBondContact O-N 3.07Å; R704-K708 VanDerWaalsContact O-N 3.15Å; E705-K708 PolarHBondContact O-N 3.47Å; E705-K708 IonicContact OE1-NZ 2.9Å; E705-K708 PolarHBondContact OE1-NZ 2.75Å; E705-K708 IonicContact OE2-NZ 2.66Å; E705-K708 PolarHBondContact OE2-NZ 3.23Å; K708-D711 WeakPolarHBondContact CA-OD2 3.41Å; K708-A712 WeakPolarHBondContact O-CB 3.49Å; K708-A712 PolarHBondContact O-N 2.94Å
709	V	97.5	Very high	96.5	Very high	8 Å²	8	58.5 Å²	58.5	5%	0.048	29%	0.291	C	S	.	.	H	α-helix	trans	-76.3	-34.7	175.3	173.6	0	0	0	0	111.6	E705 I706 R707 N713 I774 E777 L778	E705-V709 HydrophobicContact CG-CG2 4.41Å; E705-V709 WeakPolarHBondContact O-CG2 3.47Å; E705-V709 PolarHBondContact O-N 2.86Å; I706-V709 PolarHBondContact O-N 3.41Å; R707-V709 VanDerWaalsContact C-N 3.29Å; R707-V709 PolarHBondContact O-N 2.81Å; V709-N713 WeakPolarHBondContact O-CB 3.41Å; V709-N713 PolarHBondContact O-N 3.19Å; V709-N713 VanDerWaalsContact O-N 3.09Å; V709-N713 PolarHBondContact O-ND2 3.07Å; V709-I774 HydrophobicContact CG1-CB 4.4Å; V709-I774 HydrophobicContact CG1-CG1 4.45Å; V709-I774 HydrophobicContact CG1-CG2 4Å; V709-E777 HydrophobicContact CG1-CB 3.91Å; V709-L778 HydrophobicContact CB-CD2 4.32Å; V709-L778 HydrophobicContact CG2-CD2 4.2Å
710	L	97.8	Very high	96.3	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-64.6	-45.3	172.2	-71	164.5	0	0	0	111.7	I706 R707 A712 N713 N714 C715 Y717 L725 C727 W740 M742 I774	I706-L710 HydrophobicContact CG2-CD1 3.77Å; I706-L710 HydrophobicContact CG2-CG 4.46Å; I706-L710 WeakPolarHBondContact O-CG 3.35Å; I706-L710 PolarHBondContact O-N 3.03Å; R707-L710 CarbonylContact O-C 3.59Å; R707-L710 WeakPolarHBondContact O-CA 3.3Å; R707-L710 WeakPolarHBondContact O-CB 3.49Å; R707-L710 PolarHBondContact O-N 2.77Å; L710-A712 PolarHBondContact O-N 2.89Å; L710-N713 CarbonylContact O-C 3.6Å; L710-N713 WeakPolarHBondContact O-CA 3.41Å; L710-N713 PolarHBondContact O-N 3.5Å; L710-N714 PolarHBondContact O-N 2.94Å; L710-N714 VanDerWaalsContact O-N 3.13Å; L710-C715 HydrophobicContact CB-CB 4.1Å; L710-C715 HydrophobicContact CD2-CB 3.65Å; L710-C715 PolarHBondContact O-N 2.88Å; L710-Y717 HydrophobicContact CB-CD1 3.61Å; L710-Y717 HydrophobicContact CB-CE1 3.77Å; L710-Y717 HydrophobicContact CD1-CD1 3.74Å; L710-Y717 HydrophobicContact CD1-CE1 4.39Å; L710-Y717 HydrophobicContact CD1-CG 4.03Å; L710-Y717 HydrophobicContact CG-CD1 4.27Å; L710-L725 HydrophobicContact CD1-CD1 3.66Å; L710-C727 HydrophobicContact CD2-CB 4.46Å; L710-W740 HydrophobicContact CD2-CZ2 3.9Å; L710-M742 HydrophobicContact CD1-SD 4.29Å; L710-M742 HydrophobicContact CD2-SD 4.11Å; L710-I774 HydrophobicContact CD2-CD1 3.68Å
711	D	97.1	Very high	96.2	Very high	90 Å²	90	63.5 Å²	63.5	48%	0.481	31%	0.309	S	S	.	.	H	α-helix	trans	-55.3	-51	174.9	-58.2	-41.7	0	0	0	110.3	R707 K708 N713 N714 Y717	R707-D711 PolarHBondContact O-N 3.4Å; K708-D711 WeakPolarHBondContact CA-OD2 3.41Å; D711-N713 PolarHBondContact O-N 3.29Å; D711-N714 PolarHBondContact O-N 2.88Å; D711-Y717 WeakPolarHBondContact OD1-CE1 3.35Å; D711-Y717 PolarHBondContact OD1-OH 3.3Å; D711-Y717 PolarHBondContact OD2-OH 3.13Å
712	A	96.9	Very high	96	Very high	82 Å²	82	65.6 Å²	65.6	68%	0.678	31%	0.313	S	S	*	.	H	α-helix	trans	-66.3	-14.8	177.8	0	0	0	0	0	114.2	K708 L710	K708-A712 WeakPolarHBondContact O-CB 3.49Å; K708-A712 PolarHBondContact O-N 2.94Å; L710-A712 PolarHBondContact O-N 2.89Å
713	N	96	Very high	96	Very high	8 Å²	8	66.2 Å²	66.2	4%	0.043	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	10.3	174.8	-83.1	-84.8	0	0	0	113.2	V709 L710 D711 C715 I770 K773 E777	V709-N713 WeakPolarHBondContact O-CB 3.41Å; V709-N713 PolarHBondContact O-N 3.19Å; V709-N713 VanDerWaalsContact O-N 3.09Å; V709-N713 PolarHBondContact O-ND2 3.07Å; L710-N713 CarbonylContact O-C 3.6Å; L710-N713 WeakPolarHBondContact O-CA 3.41Å; L710-N713 PolarHBondContact O-N 3.5Å; D711-N713 PolarHBondContact O-N 3.29Å; N713-C715 PolarHBondContact O-N 3.3Å; N713-C715 PolarHBondContact O-SG 3.24Å; N713-C715 VanDerWaalsContact O-SG 3.37Å; N713-I770 HydrophobicContact CB-CD1 4.48Å; N713-K773 WeakPolarHBondContact OD1-CD 3.23Å; N713-K773 WeakPolarHBondContact OD1-CE 3.5Å; N713-K773 PolarHBondContact OD1-NZ 3.32Å; N713-E777 PolarHBondContact ND2-OE2 3.01Å
714	N	96.3	Very high	95.9	Very high	148 Å²	148	66.2 Å²	66.2	79%	0.791	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	32.9	179.4	-126.6	106.7	0	0	0	112.9	L710 D711	L710-N714 PolarHBondContact O-N 2.94Å; L710-N714 VanDerWaalsContact O-N 3.13Å; D711-N714 PolarHBondContact O-N 2.88Å
715	C	96.9	Very high	95.9	Very high	5 Å²	5	58.5 Å²	58.5	3%	0.034	29%	0.287	C	S	.	.			trans	-97.5	122	179.6	-61.8	0	0	0	0	110.3	L710 N713 Y717 V728 W740	L710-C715 HydrophobicContact CB-CB 4.1Å; L710-C715 HydrophobicContact CD2-CB 3.65Å; L710-C715 PolarHBondContact O-N 2.88Å; N713-C715 PolarHBondContact O-N 3.3Å; N713-C715 PolarHBondContact O-SG 3.24Å; N713-C715 VanDerWaalsContact O-SG 3.37Å; C715-Y717 WeakPolarHBondContact O-CD1 3.49Å; C715-V728 CarbonylContact C-O 3.49Å; C715-V728 WeakPolarHBondContact CA-O 3.48Å; C715-W740 HydrophobicContact CB-CH2 4.26Å
716	D	96.9	Very high	95.9	Very high	118 Å²	118	59.4 Å²	59.4	63%	0.631	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	143.2	171.5	-60.8	-53.8	0	0	0	110.1	C727 V728	D716-C727 CarbonylContact O-C 3.57Å; D716-C727 WeakPolarHBondContact O-CA 3.45Å; D716-V728 HydrophobicContact CB-CB 4.42Å; D716-V728 PolarHBondContact N-O 3.07Å; D716-V728 PolarHBondContact O-N 3.12Å
717	Y	97.2	Very high	95.9	Very high	77 Å²	77	59.4 Å²	59.4	30%	0.302	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	152	174	56.7	-92.4	0	0	0	113.6	R707 L710 D711 C715 L725 F726	R707-Y717 HydrophobicContact CB-CE1 4.45Å; R707-Y717 HydrophobicContact CB-CE2 4.14Å; R707-Y717 HydrophobicContact CG-CD2 4.17Å; R707-Y717 HydrophobicContact CG-CE2 3.53Å; L710-Y717 HydrophobicContact CB-CD1 3.61Å; L710-Y717 HydrophobicContact CB-CE1 3.77Å; L710-Y717 HydrophobicContact CD1-CD1 3.74Å; L710-Y717 HydrophobicContact CD1-CE1 4.39Å; L710-Y717 HydrophobicContact CD1-CG 4.03Å; L710-Y717 HydrophobicContact CG-CD1 4.27Å; D711-Y717 WeakPolarHBondContact OD1-CE1 3.35Å; D711-Y717 PolarHBondContact OD1-OH 3.3Å; D711-Y717 PolarHBondContact OD2-OH 3.13Å; C715-Y717 WeakPolarHBondContact O-CD1 3.49Å; Y717-L725 HydrophobicContact CD2-CD1 4.29Å; Y717-L725 HydrophobicContact CD2-CD2 4.48Å; Y717-L725 HydrophobicContact CG-CD1 4.4Å; Y717-F726 CarbonylContact C-O 3.37Å; Y717-F726 VanDerWaalsContact CA-O 3.25Å; Y717-F726 WeakPolarHBondContact CA-O 3.33Å
718	E	96.2	Very high	95.8	Very high	104 Å²	104	57.7 Å²	57.7	49%	0.486	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	127.2	175.4	-163.8	-161.9	148	0	0	108.8	K720 F726	E718-K720 VanDerWaalsContact CD-CE 3.44Å; E718-K720 PolarHBondContact O-N 3.29Å; E718-K720 WeakPolarHBondContact OE1-CE 3.44Å; E718-K720 IonicContact OE1-NZ 3.84Å; E718-K720 PolarHBondContact OE1-NZ 3.3Å; E718-K720 WeakPolarHBondContact OE2-CE 3.42Å; E718-K720 IonicContact OE2-NZ 2.96Å; E718-K720 PolarHBondContact OE2-NZ 3.11Å; E718-F726 PolarHBondContact N-O 3.16Å; E718-F726 PolarHBondContact O-N 3.26Å
719	Q	94.8	Very high	95.8	Very high	89 Å²	89	55.4 Å²	55.4	42%	0.416	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	120.4	179	-176.5	160.7	-16.7	0	0	110.7	E721 R722 L725	Q719-E721 WeakPolarHBondContact CG-O 3.48Å; Q719-E721 PolarHBondContact NE2-O 2.75Å; Q719-R722 PolarHBondContact NE2-O 2.95Å; Q719-L725 HydrophobicContact CB-CD2 3.64Å; Q719-L725 HydrophobicContact CG-CD2 3.84Å
720	K	90.7	Very high	95.5	Very high	107 Å²	107	56.9 Å²	56.9	47%	0.465	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-34.6	-173.1	-65.6	-62	-174.4	-177	0	114.1	E718 L724 F726	E718-K720 VanDerWaalsContact CD-CE 3.44Å; E718-K720 PolarHBondContact O-N 3.29Å; E718-K720 WeakPolarHBondContact OE1-CE 3.44Å; E718-K720 IonicContact OE1-NZ 3.84Å; E718-K720 PolarHBondContact OE1-NZ 3.3Å; E718-K720 WeakPolarHBondContact OE2-CE 3.42Å; E718-K720 IonicContact OE2-NZ 2.96Å; E718-K720 PolarHBondContact OE2-NZ 3.11Å; K720-L724 HydrophobicContact CB-CD2 4.09Å; K720-L724 HydrophobicContact CB-CG 4.35Å; K720-L724 PolarHBondContact N-O 2.95Å; K720-F726 HydrophobicContact CG-CB 3.9Å
721	E	91.6	Very high	95	Very high	70 Å²	70	59.3 Å²	59.3	33%	0.327	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	172.6	172.5	-52.8	166.4	-175.8	0	0	107.6	R683 Q719 F723 L724	R683-E721 IonicContact CZ-OE1 3.61Å; R683-E721 IonicContact CZ-OE2 2.97Å; R683-E721 IonicContact NE-OE2 2.99Å; R683-E721 IonicContact NH1-OE1 3.43Å; R683-E721 PolarHBondContact NH1-OE1 2.68Å; R683-E721 IonicContact NH1-OE2 2.72Å; R683-E721 PolarHBondContact NH1-OE2 2.93Å; R683-E721 IonicContact NH2-OE1 3.3Å; R683-E721 PolarHBondContact NH2-OE1 3.36Å; R683-E721 IonicContact NH2-OE2 3.24Å; R683-E721 PolarHBondContact NH2-OE2 3.05Å; Q719-E721 WeakPolarHBondContact CG-O 3.48Å; Q719-E721 PolarHBondContact NE2-O 2.75Å; E721-F723 PolarHBondContact O-N 3.17Å; E721-L724 HydrophobicContact CB-CB 3.69Å; E721-L724 VanDerWaalsContact CD-CD2 3.49Å; E721-L724 HydrophobicContact CG-CB 3.96Å; E721-L724 HydrophobicContact CG-CD2 3.85Å; E721-L724 PolarHBondContact N-O 3.34Å; E721-L724 PolarHBondContact O-N 3.06Å; E721-L724 WeakPolarHBondContact OE1-CD2 3.43Å
722	R	91.2	Very high	94.3	Very high	102 Å²	102	58.3 Å²	58.3	39%	0.385	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-31.9	179.4	-172.4	175.7	179.9	141.9	1.6	113.6	D679 N700 Q719	D679-R722 VanDerWaalsContact O-CD 3.28Å; D679-R722 WeakPolarHBondContact O-CD 3.18Å; N700-R722 PolarHBondContact OD1-NE 3.15Å; N700-R722 PolarHBondContact OD1-NH2 2.91Å; Q719-R722 PolarHBondContact NE2-O 2.95Å
723	F	95.8	Very high	93.5	Very high	13 Å²	13	64.9 Å²	64.9	6%	0.057	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.1	16.8	-177	-56.6	-64.2	0	0	0	113.7	K681 P682 P699 M703 E721 E743 V744	K681-F723 VanDerWaalsContact C-CE2 3.42Å; P682-F723 HydrophobicContact CG-CD1 4.48Å; P682-F723 HydrophobicContact CG-CD2 4.21Å; P682-F723 HydrophobicContact CG-CE2 4.29Å; P682-F723 HydrophobicContact CG-CG 4.31Å; P682-F723 HydrophobicContact CG-CZ 4.46Å; P699-F723 HydrophobicContact CB-CD1 3.8Å; P699-F723 HydrophobicContact CB-CE1 3.41Å; P699-F723 VanDerWaalsContact CB-CE1 3.41Å; P699-F723 HydrophobicContact CB-CZ 4.06Å; M703-F723 HydrophobicContact CG-CD1 4.06Å; E721-F723 PolarHBondContact O-N 3.17Å; F723-E743 CarbonylContact O-C 3.59Å; F723-E743 VanDerWaalsContact O-CA 3.3Å; F723-E743 WeakPolarHBondContact O-CA 3.46Å; F723-V744 HydrophobicContact CB-CB 4.25Å; F723-V744 PolarHBondContact O-N 2.79Å
724	L	94.9	Very high	92.8	Very high	3 Å²	3	71.7 Å²	71.7	2%	0.016	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	123.9	-177.8	-176.8	70.5	0	0	0	111.5	K720 E721 E741 M742 E743	K720-L724 HydrophobicContact CB-CD2 4.09Å; K720-L724 HydrophobicContact CB-CG 4.35Å; K720-L724 PolarHBondContact N-O 2.95Å; E721-L724 HydrophobicContact CB-CB 3.69Å; E721-L724 VanDerWaalsContact CD-CD2 3.49Å; E721-L724 HydrophobicContact CG-CB 3.96Å; E721-L724 HydrophobicContact CG-CD2 3.85Å; E721-L724 PolarHBondContact N-O 3.34Å; E721-L724 PolarHBondContact O-N 3.06Å; E721-L724 WeakPolarHBondContact OE1-CD2 3.43Å; L724-E741 HydrophobicContact CD1-CB 4.04Å; L724-E741 HydrophobicContact CD1-CG 4.35Å; L724-M742 WeakPolarHBondContact CA-O 3.45Å; L724-E743 HydrophobicContact CD1-CB 3.69Å; L724-E743 HydrophobicContact CD1-CG 3.94Å
725	L	96.8	Very high	91.8	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	142.5	168.5	-55.2	-176.3	0	0	0	110.7	M703 I706 R707 L710 Y717 Q719 E741 M742	M703-L725 HydrophobicContact CE-CD1 4.48Å; M703-L725 HydrophobicContact CE-CD2 3.59Å; M703-L725 HydrophobicContact CE-CG 3.75Å; I706-L725 HydrophobicContact CG2-CD1 3.66Å; R707-L725 HydrophobicContact CG-CD1 3.96Å; L710-L725 HydrophobicContact CD1-CD1 3.66Å; Y717-L725 HydrophobicContact CD2-CD1 4.29Å; Y717-L725 HydrophobicContact CD2-CD2 4.48Å; Y717-L725 HydrophobicContact CG-CD1 4.4Å; Q719-L725 HydrophobicContact CB-CD2 3.64Å; Q719-L725 HydrophobicContact CG-CD2 3.84Å; L725-E741 WeakPolarHBondContact O-CA 3.45Å; L725-M742 PolarHBondContact N-O 3.4Å; L725-M742 PolarHBondContact O-N 3.09Å
726	F	96.4	Very high	91.2	Very high	48 Å²	48	71.6 Å²	71.6	21%	0.211	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	123.4	161.6	179	-95.6	0	0	0	108.5	Y717 E718 K720 V728 Q739 I760	Y717-F726 CarbonylContact C-O 3.37Å; Y717-F726 VanDerWaalsContact CA-O 3.25Å; Y717-F726 WeakPolarHBondContact CA-O 3.33Å; E718-F726 PolarHBondContact N-O 3.16Å; E718-F726 PolarHBondContact O-N 3.26Å; K720-F726 HydrophobicContact CG-CB 3.9Å; F726-V728 HydrophobicContact CD1-CG2 4.38Å; F726-V728 HydrophobicContact CE1-CG2 3.82Å; F726-Q739 HydrophobicContact CE2-CB 4.28Å; F726-Q739 HydrophobicContact CZ-CB 3.81Å; F726-Q739 HydrophobicContact CZ-CG 4.4Å; F726-I760 HydrophobicContact CE2-CB 4.38Å; F726-I760 HydrophobicContact CE2-CG1 4.34Å; F726-I760 HydrophobicContact CE2-CG2 4.24Å
727	C	97.2	Very high	91	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	150.6	-168.3	-52.6	0	0	0	0	111.7	L710 D716 Q739 W740	L710-C727 HydrophobicContact CD2-CB 4.46Å; D716-C727 CarbonylContact O-C 3.57Å; D716-C727 WeakPolarHBondContact O-CA 3.45Å; C727-Q739 VanDerWaalsContact O-CA 3.31Å; C727-Q739 WeakPolarHBondContact O-CA 3.4Å; C727-W740 HydrophobicContact CB-CD2 3.74Å; C727-W740 VanDerWaalsContact CB-CE2 3.4Å; C727-W740 HydrophobicContact CB-CE3 4.1Å; C727-W740 HydrophobicContact CB-CG 4.3Å; C727-W740 HydrophobicContact CB-CH2 3.87Å; C727-W740 HydrophobicContact CB-CZ2 3.49Å; C727-W740 VanDerWaalsContact CB-CZ2 3.49Å; C727-W740 HydrophobicContact CB-CZ3 4.16Å; C727-W740 PolarHBondContact N-O 3.08Å; C727-W740 PolarHBondContact O-N 3.01Å
728	V	96.8	Very high	90.8	Very high	29 Å²	29	65.2 Å²	65.2	18%	0.176	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	141.5	-178.9	-173.6	0	0	0	0	110.8	C715 D716 F726 L737 V738 Q739	C715-V728 CarbonylContact C-O 3.49Å; C715-V728 WeakPolarHBondContact CA-O 3.48Å; D716-V728 HydrophobicContact CB-CB 4.42Å; D716-V728 PolarHBondContact N-O 3.07Å; D716-V728 PolarHBondContact O-N 3.12Å; F726-V728 HydrophobicContact CD1-CG2 4.38Å; F726-V728 HydrophobicContact CE1-CG2 3.82Å; V728-L737 HydrophobicContact CG1-CD1 3.64Å; V728-V738 WeakPolarHBondContact CA-O 3.23Å; V728-Q739 HydrophobicContact CG1-CG 4.31Å; V728-Q739 HydrophobicContact CG2-CB 4.48Å; V728-Q739 HydrophobicContact CG2-CG 4.13Å
729	H	95.9	Very high	90.7	Very high	63 Å²	63	61.5 Å²	61.5	29%	0.292	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	149.5	177	169	-83.4	0	0	0	110.8	L737 V738 W740 I770	H729-L737 CarbonylContact O-C 3.51Å; H729-L737 WeakPolarHBondContact O-CA 3.44Å; H729-V738 HydrophobicContact CB-CG1 4.41Å; H729-V738 PolarHBondContact N-O 3.26Å; H729-V738 VanDerWaalsContact N-O 3.14Å; H729-V738 PolarHBondContact O-N 2.76Å; H729-W740 HydrophobicContact CB-CH2 3.72Å; H729-W740 HydrophobicContact CB-CZ3 3.74Å; H729-I770 HydrophobicContact CB-CG1 4.28Å
730	G	92.2	Very high	90.7	Very high	38 Å²	38	57.3 Å²	57.3	39%	0.392	29%	0.286	S	S	.	.	S	Bend	trans	96	174.5	174.5	0	0	0	0	0	115.1
731	D	86.9	Confident	90.9	Very high	52 Å²	52	52.9 Å²	52.9	28%	0.278	27%	0.267	S	S	.	.			trans	-112.6	134	178	-171	-13.5	0	0	0	110.3	R733 Q734 S736 L737	D731-R733 PolarHBondContact O-N 2.98Å; D731-R733 WeakPolarHBondContact OD1-CB 3.28Å; D731-R733 PolarHBondContact OD1-N 3.4Å; D731-R733 IonicContact OD1-NE 2.66Å; D731-R733 IonicContact OD2-CZ 2.65Å; D731-R733 IonicContact OD2-NE 2.63Å; D731-R733 PolarHBondContact OD2-NE 3.41Å; D731-R733 IonicContact OD2-NH2 2.66Å; D731-R733 PolarHBondContact OD2-NH2 2.95Å; D731-Q734 HydrophobicContact CB-CG 4.46Å; D731-Q734 PolarHBondContact O-N 3.37Å; D731-Q734 VanDerWaalsContact O-N 3.12Å; D731-S736 PolarHBondContact N-OG 3.15Å; D731-S736 VanDerWaalsContact N-OG 3.09Å; D731-S736 PolarHBondContact O-N 3.28Å; D731-S736 PolarHBondContact O-OG 3.46Å; D731-L737 PolarHBondContact O-N 3.31Å
732	A	83.3	Confident	91	Very high	69 Å²	69	49.6 Å²	49.6	57%	0.57	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-60.4	-29.8	173.5	0	0	0	0	0	112.2	Q734 D735 L737	A732-Q734 PolarHBondContact O-N 3.24Å; A732-D735 PolarHBondContact O-N 2.66Å; A732-L737 HydrophobicContact CB-CB 4.37Å; A732-L737 HydrophobicContact CB-CD2 3.98Å
733	R	80.5	Confident	91.2	Very high	220 Å²	220	45.1 Å²	45.1	83%	0.83	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-67.9	-14.5	176.7	-67.4	-179.5	-78.7	-152.1	-8.2	114	D731	D731-R733 PolarHBondContact O-N 2.98Å; D731-R733 WeakPolarHBondContact OD1-CB 3.28Å; D731-R733 PolarHBondContact OD1-N 3.4Å; D731-R733 IonicContact OD1-NE 2.66Å; D731-R733 IonicContact OD2-CZ 2.65Å; D731-R733 IonicContact OD2-NE 2.63Å; D731-R733 PolarHBondContact OD2-NE 3.41Å; D731-R733 IonicContact OD2-NH2 2.66Å; D731-R733 PolarHBondContact OD2-NH2 2.95Å
734	Q	79.7	Confident	91.1	Very high	150 Å²	150	44.5 Å²	44.5	70%	0.701	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-114.9	9	-179.9	-60.1	-176.2	5.6	0	0	112.7	D731 A732 S736	D731-Q734 HydrophobicContact CB-CG 4.46Å; D731-Q734 PolarHBondContact O-N 3.37Å; D731-Q734 VanDerWaalsContact O-N 3.12Å; A732-Q734 PolarHBondContact O-N 3.24Å; Q734-S736 PolarHBondContact O-N 3.47Å; Q734-S736 VanDerWaalsContact O-N 3.08Å
735	D	74.9	Confident	90.9	Very high	119 Å²	119	44.4 Å²	44.4	64%	0.636	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	25.3	-170.9	-157.6	30.6	0	0	0	113.8	A732	A732-D735 PolarHBondContact O-N 2.66Å
736	S	86.2	Confident	90.6	Very high	32 Å²	32	49 Å²	49	22%	0.224	25%	0.252	C	S	.	.			trans	-104.5	-9.5	-176.7	67.3	0	0	0	0	113.4	D731 Q734 V738	D731-S736 PolarHBondContact N-OG 3.15Å; D731-S736 VanDerWaalsContact N-OG 3.09Å; D731-S736 PolarHBondContact O-N 3.28Å; D731-S736 PolarHBondContact O-OG 3.46Å; Q734-S736 PolarHBondContact O-N 3.47Å; Q734-S736 VanDerWaalsContact O-N 3.08Å; S736-V738 PolarHBondContact O-N 3.05Å
737	L	91.5	Very high	90	Very high	61 Å²	61	46.8 Å²	46.8	32%	0.319	24%	0.242	S	C	.	.			trans	-62.1	121.1	175.1	178.5	64.2	0	0	0	111.2	V728 H729 D731 A732 G762	V728-L737 HydrophobicContact CG1-CD1 3.64Å; H729-L737 CarbonylContact O-C 3.51Å; H729-L737 WeakPolarHBondContact O-CA 3.44Å; D731-L737 PolarHBondContact O-N 3.31Å; A732-L737 HydrophobicContact CB-CB 4.37Å; A732-L737 HydrophobicContact CB-CD2 3.98Å; L737-G762 WeakPolarHBondContact O-CA 3.33Å
738	V	93.5	Very high	88.7	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	142.9	178.8	55.3	0	0	0	0	110.3	V728 H729 S736 W740 S761 F767 I770	V728-V738 WeakPolarHBondContact CA-O 3.23Å; H729-V738 HydrophobicContact CB-CG1 4.41Å; H729-V738 PolarHBondContact N-O 3.26Å; H729-V738 VanDerWaalsContact N-O 3.14Å; H729-V738 PolarHBondContact O-N 2.76Å; S736-V738 PolarHBondContact O-N 3.05Å; V738-W740 HydrophobicContact CG1-CE3 4.15Å; V738-W740 HydrophobicContact CG1-CZ3 3.93Å; V738-W740 HydrophobicContact CG2-CE3 4.1Å; V738-S761 WeakPolarHBondContact CA-O 3.49Å; V738-S761 WeakPolarHBondContact CG2-O 3.38Å; V738-F767 HydrophobicContact CG2-CB 3.76Å; V738-F767 HydrophobicContact CG2-CD2 4.02Å; V738-F767 HydrophobicContact CG2-CG 4.35Å; V738-I770 HydrophobicContact CG1-CG2 3.85Å
739	Q	94.6	Very high	87.4	Confident	27 Å²	27	60.5 Å²	60.5	13%	0.126	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	132.9	174.9	-47.3	-165.5	-90.2	0	0	109	F726 C727 V728 I760 S761	F726-Q739 HydrophobicContact CE2-CB 4.28Å; F726-Q739 HydrophobicContact CZ-CB 3.81Å; F726-Q739 HydrophobicContact CZ-CG 4.4Å; C727-Q739 VanDerWaalsContact O-CA 3.31Å; C727-Q739 WeakPolarHBondContact O-CA 3.4Å; V728-Q739 HydrophobicContact CG1-CG 4.31Å; V728-Q739 HydrophobicContact CG2-CB 4.48Å; V728-Q739 HydrophobicContact CG2-CG 4.13Å; Q739-I760 WeakPolarHBondContact O-CA 3.43Å; Q739-I760 WeakPolarHBondContact O-CB 3.41Å; Q739-I760 PolarHBondContact O-N 3.06Å; Q739-S761 WeakPolarHBondContact CB-OG 3.29Å; Q739-S761 VanDerWaalsContact CG-OG 3.31Å; Q739-S761 WeakPolarHBondContact CG-OG 3.01Å; Q739-S761 PolarHBondContact N-O 2.88Å; Q739-S761 PolarHBondContact O-N 2.9Å; Q739-S761 PolarHBondContact OE1-OG 3.15Å
740	W	94.8	Very high	86.1	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	158.6	-175.6	71.6	100.5	0	0	0	113.2	L710 C715 C727 H729 V738 M742 K758 F767 I770 I774	L710-W740 HydrophobicContact CD2-CZ2 3.9Å; C715-W740 HydrophobicContact CB-CH2 4.26Å; C727-W740 HydrophobicContact CB-CD2 3.74Å; C727-W740 VanDerWaalsContact CB-CE2 3.4Å; C727-W740 HydrophobicContact CB-CE3 4.1Å; C727-W740 HydrophobicContact CB-CG 4.3Å; C727-W740 HydrophobicContact CB-CH2 3.87Å; C727-W740 HydrophobicContact CB-CZ2 3.49Å; C727-W740 VanDerWaalsContact CB-CZ2 3.49Å; C727-W740 HydrophobicContact CB-CZ3 4.16Å; C727-W740 PolarHBondContact N-O 3.08Å; C727-W740 PolarHBondContact O-N 3.01Å; H729-W740 HydrophobicContact CB-CH2 3.72Å; H729-W740 HydrophobicContact CB-CZ3 3.74Å; V738-W740 HydrophobicContact CG1-CE3 4.15Å; V738-W740 HydrophobicContact CG1-CZ3 3.93Å; V738-W740 HydrophobicContact CG2-CE3 4.1Å; W740-M742 VanDerWaalsContact NE1-CG 3.32Å; W740-M742 PolarHBondContact NE1-SD 3.21Å; W740-M742 VanDerWaalsContact NE1-SD 3.44Å; W740-K758 CarbonylContact C-O 3.57Å; W740-K758 VanDerWaalsContact CA-O 3.29Å; W740-K758 WeakPolarHBondContact CA-O 3.44Å; W740-K758 VanDerWaalsContact CB-O 3.29Å; W740-K758 WeakPolarHBondContact CB-O 3.14Å; W740-F767 HydrophobicContact CB-CD2 3.96Å; W740-F767 HydrophobicContact CB-CE2 3.56Å; W740-F767 HydrophobicContact CG-CD2 4.22Å; W740-F767 AromaticContact CG-CE2 3.77Å; W740-F767 HydrophobicContact CG-CE2 3.77Å; W740-I770 HydrophobicContact CH2-CG1 4.01Å; W740-I770 HydrophobicContact CH2-CG2 4.18Å; W740-I770 HydrophobicContact CZ2-CG1 4.36Å; W740-I770 HydrophobicContact CZ2-CG2 4.49Å; W740-I770 HydrophobicContact CZ3-CG2 4.21Å; W740-I774 HydrophobicContact CZ2-CD1 3.69Å
741	E	94.1	Very high	85.5	Confident	15 Å²	15	64.2 Å²	64.2	7%	0.07	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	141.2	168	-68.6	-174.6	137.3	0	0	110.5	K64 L724 L725 F757 K758 I760	K64-E741 WeakPolarHBondContact CD-OE1 3.22Å; K64-E741 WeakPolarHBondContact CE-OE1 3.24Å; K64-E741 IonicContact NZ-OE1 3.53Å; K64-E741 PolarHBondContact NZ-OE1 2.98Å; K64-E741 IonicContact NZ-OE2 3.25Å; K64-E741 PolarHBondContact NZ-OE2 3.06Å; L724-E741 HydrophobicContact CD1-CB 4.04Å; L724-E741 HydrophobicContact CD1-CG 4.35Å; L725-E741 WeakPolarHBondContact O-CA 3.45Å; E741-F757 WeakPolarHBondContact O-CA 3.44Å; E741-K758 HydrophobicContact CB-CB 4.41Å; E741-K758 PolarHBondContact N-O 3.38Å; E741-K758 PolarHBondContact O-N 2.67Å; E741-I760 HydrophobicContact CG-CD1 4.01Å; E741-I760 HydrophobicContact CG-CG1 4.01Å
742	M	94.6	Very high	85.6	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.005	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	122.8	164.6	-70.1	-174.8	61.8	0	0	109.6	I706 L710 L724 L725 W740 V755 R756 F757 I774	I706-M742 HydrophobicContact CG1-CE 4.19Å; I706-M742 HydrophobicContact CG2-CE 3.62Å; I706-M742 HydrophobicContact CG2-SD 4.27Å; L710-M742 HydrophobicContact CD1-SD 4.29Å; L710-M742 HydrophobicContact CD2-SD 4.11Å; L724-M742 WeakPolarHBondContact CA-O 3.45Å; L725-M742 PolarHBondContact N-O 3.4Å; L725-M742 PolarHBondContact O-N 3.09Å; W740-M742 VanDerWaalsContact NE1-CG 3.32Å; W740-M742 PolarHBondContact NE1-SD 3.21Å; W740-M742 VanDerWaalsContact NE1-SD 3.44Å; M742-V755 HydrophobicContact CE-CG1 3.75Å; M742-R756 WeakPolarHBondContact CA-O 3.27Å; M742-F757 HydrophobicContact CE-CD1 4.2Å; M742-F757 HydrophobicContact CE-CE1 3.46Å; M742-F757 VanDerWaalsContact CE-CE1 3.46Å; M742-F757 HydrophobicContact CE-CE2 4.38Å; M742-F757 HydrophobicContact CE-CZ 3.57Å; M742-F757 HydrophobicContact CG-CD1 3.89Å; M742-F757 HydrophobicContact CG-CE1 4.1Å; M742-F757 HydrophobicContact SD-CD1 4.06Å; M742-F757 HydrophobicContact SD-CE1 3.67Å; M742-F757 HydrophobicContact SD-CZ 4.4Å; M742-I774 HydrophobicContact CE-CG2 3.98Å; M742-I774 HydrophobicContact SD-CG2 4.41Å
743	E	94.3	Very high	86	Confident	8 Å²	8	62.3 Å²	62.3	4%	0.037	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	128.7	-176	-164.8	179.8	154.8	0	0	111.1	R683 F723 L724 C745 V755 R756	R683-E743 IonicContact CZ-OE1 2.64Å; R683-E743 VanDerWaalsContact CZ-OE1 3.26Å; R683-E743 IonicContact CZ-OE2 2.69Å; R683-E743 IonicContact NE-OE1 2.75Å; R683-E743 PolarHBondContact NE-OE1 3.02Å; R683-E743 IonicContact NE-OE2 3.6Å; R683-E743 IonicContact NH2-OE1 2.91Å; R683-E743 PolarHBondContact NH2-OE1 2.79Å; R683-E743 IonicContact NH2-OE2 2.7Å; R683-E743 PolarHBondContact NH2-OE2 2.69Å; F723-E743 CarbonylContact O-C 3.59Å; F723-E743 VanDerWaalsContact O-CA 3.3Å; F723-E743 WeakPolarHBondContact O-CA 3.46Å; L724-E743 HydrophobicContact CD1-CB 3.69Å; L724-E743 HydrophobicContact CD1-CG 3.94Å; E743-C745 PolarHBondContact O-N 2.79Å; E743-V755 WeakPolarHBondContact O-CA 3.41Å; E743-R756 HydrophobicContact CB-CB 4.32Å; E743-R756 PolarHBondContact N-O 3.03Å; E743-R756 PolarHBondContact O-N 3.27Å
744	V	94.4	Very high	86.5	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	115	166.4	178	0	0	0	0	108	P682 P699 M702 M703 I706 F723 N753	P682-V744 WeakPolarHBondContact CB-O 3.21Å; P682-V744 HydrophobicContact CG-CG1 4.29Å; P699-V744 HydrophobicContact CB-CG1 4.06Å; M702-V744 HydrophobicContact CB-CG1 4.45Å; M702-V744 HydrophobicContact CB-CG2 4.02Å; M702-V744 HydrophobicContact CE-CG1 4.31Å; M702-V744 HydrophobicContact SD-CG1 3.82Å; M703-V744 HydrophobicContact CG-CG2 4.01Å; M703-V744 HydrophobicContact SD-CG2 3.78Å; I706-V744 HydrophobicContact CD1-CG2 3.63Å; F723-V744 HydrophobicContact CB-CB 4.25Å; F723-V744 PolarHBondContact O-N 2.79Å; V744-N753 HydrophobicContact CG1-CB 4.1Å
745	C	91.6	Very high	87.1	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	143.7	-173.8	-62.7	0	0	0	0	110.6	R683 L685 F687 E743 N753 G754	R683-C745 CarbonylContact O-C 3.6Å; R683-C745 WeakPolarHBondContact O-CA 3.43Å; L685-C745 HydrophobicContact CB-CB 4.5Å; F687-C745 HydrophobicContact CD1-CB 4.19Å; F687-C745 HydrophobicContact CE1-CB 3.43Å; F687-C745 VanDerWaalsContact CE1-CB 3.43Å; F687-C745 HydrophobicContact CZ-CB 4.06Å; E743-C745 PolarHBondContact O-N 2.79Å; C745-N753 CarbonylContact O-C 3.55Å; C745-N753 WeakPolarHBondContact O-CA 3.46Å; C745-G754 PolarHBondContact N-O 2.64Å; C745-G754 PolarHBondContact O-N 3.25Å
746	K	89.5	Confident	87.8	Confident	98 Å²	98	40.5 Å²	40.5	43%	0.426	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	130.6	169.6	-174.6	175.8	-177.6	178.9	0	110	P682 R683 P748	P682-K746 HydrophobicContact CB-CB 4.3Å; R683-K746 PolarHBondContact O-N 2.66Å; K746-P748 WeakPolarHBondContact O-CD 3.31Å
747	L	83.1	Confident	88	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.005	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-84.7	120.7	178.5	-59.4	-174.4	0	0	0	111.3	F687 W689 T694 R749 L750 L752	F687-L747 HydrophobicContact CD1-CD2 4.45Å; F687-L747 HydrophobicContact CE1-CD2 3.49Å; F687-L747 VanDerWaalsContact CE1-CD2 3.49Å; F687-L747 HydrophobicContact CZ-CD2 3.73Å; W689-L747 HydrophobicContact CB-CD1 4.06Å; W689-L747 HydrophobicContact CB-CD2 3.64Å; W689-L747 HydrophobicContact CD2-CD1 3.83Å; W689-L747 HydrophobicContact CE3-CD1 4Å; W689-L747 HydrophobicContact CG-CD1 3.85Å; W689-L747 HydrophobicContact CG-CD2 3.81Å; W689-L747 HydrophobicContact CG-CG 4.48Å; T694-L747 HydrophobicContact CG2-CD1 3.43Å; T694-L747 VanDerWaalsContact CG2-CD1 3.43Å; L747-R749 PolarHBondContact O-N 3.35Å; L747-L750 HydrophobicContact CB-CB 4.25Å; L747-L750 HydrophobicContact CB-CD1 4.35Å; L747-L750 HydrophobicContact CD1-CD1 3.97Å; L747-L750 PolarHBondContact O-N 2.98Å; L747-L752 WeakPolarHBondContact CB-O 3.39Å; L747-L752 PolarHBondContact N-O 3.12Å
748	P	71.3	Confident	87.8	Confident	61 Å²	61	38.5 Å²	38.5	40%	0.396	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	140.5	174.3	-25.5	35.1	0	0	0	111.8	K746 L750	K746-P748 WeakPolarHBondContact O-CD 3.31Å; P748-L750 PolarHBondContact O-N 2.85Å
749	R	69.8	Low	87.6	Confident	255 Å²	255	40.1 Å²	40.1	96%	0.962	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.6	-13.5	177.8	-48.6	174.9	-177.5	172.5	-0	117.2	L747	L747-R749 PolarHBondContact O-N 3.35Å
750	L	67.9	Low	87.4	Confident	77 Å²	77	39.3 Å²	39.3	40%	0.403	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-20.7	179.2	-66.1	178.7	0	0	0	114.2	W689 L747 P748 L752	W689-L750 HydrophobicContact CH2-CD1 3.69Å; W689-L750 HydrophobicContact CZ2-CD1 3.64Å; W689-L750 HydrophobicContact CZ3-CD1 4.16Å; L747-L750 HydrophobicContact CB-CB 4.25Å; L747-L750 HydrophobicContact CB-CD1 4.35Å; L747-L750 HydrophobicContact CD1-CD1 3.97Å; L747-L750 PolarHBondContact O-N 2.98Å; P748-L750 PolarHBondContact O-N 2.85Å; L750-L752 HydrophobicContact CB-CB 4.36Å; L750-L752 HydrophobicContact CB-CG 4.36Å; L750-L752 PolarHBondContact O-N 3.3Å; L750-L752 VanDerWaalsContact O-N 3.13Å
751	S	79.1	Confident	87.1	Confident	103 Å²	103	40 Å²	40	72%	0.72	19%	0.194	S	C	*	.			trans	58.5	16.3	-171.6	-61.9	0	0	0	0	114.8
752	L	88.5	Confident	86.7	Confident	57 Å²	57	40.4 Å²	40.4	30%	0.298	20%	0.203	S	C	.	.			trans	-102.1	165.1	173	-60.4	178.5	0	0	0	110.4	T694 L747 L750	T694-L752 HydrophobicContact CG2-CB 3.86Å; T694-L752 HydrophobicContact CG2-CD1 3.79Å; T694-L752 HydrophobicContact CG2-CG 4.49Å; L747-L752 WeakPolarHBondContact CB-O 3.39Å; L747-L752 PolarHBondContact N-O 3.12Å; L750-L752 HydrophobicContact CB-CB 4.36Å; L750-L752 HydrophobicContact CB-CG 4.36Å; L750-L752 PolarHBondContact O-N 3.3Å; L750-L752 VanDerWaalsContact O-N 3.13Å
753	N	91.6	Very high	86.1	Confident	24 Å²	24	42.1 Å²	42.1	13%	0.128	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	149.5	171.4	-56.8	-60.2	0	0	0	109.5	T694 S695 M702 V744 C745	T694-N753 CarbonylContact C-O 3.57Å; T694-N753 WeakPolarHBondContact CA-O 2.95Å; S695-N753 PolarHBondContact N-O 3.34Å; S695-N753 PolarHBondContact O-N 3.24Å; M702-N753 HydrophobicContact CE-CB 4.25Å; M702-N753 HydrophobicContact SD-CB 3.57Å; M702-N753 VanDerWaalsContact SD-CB 3.57Å; V744-N753 HydrophobicContact CG1-CB 4.1Å; C745-N753 CarbonylContact O-C 3.55Å; C745-N753 WeakPolarHBondContact O-CA 3.46Å
754	G	91.1	Very high	85.4	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	147.2	177.7	0	0	0	0	0	112.5	T693 C745	T693-G754 CarbonylContact O-C 3.57Å; T693-G754 WeakPolarHBondContact O-CA 3.43Å; C745-G754 PolarHBondContact N-O 2.64Å; C745-G754 PolarHBondContact O-N 3.25Å
755	V	93.1	Very high	84.8	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.012	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	115.7	177.6	-167.9	0	0	0	0	109.6	T693 M702 I706 M742 E743 F757 L780	T693-V755 PolarHBondContact O-N 3.43Å; M702-V755 HydrophobicContact CE-CG2 3.98Å; I706-V755 HydrophobicContact CD1-CG1 3.95Å; I706-V755 HydrophobicContact CD1-CG2 3.83Å; I706-V755 HydrophobicContact CG1-CG2 4.43Å; M742-V755 HydrophobicContact CE-CG1 3.75Å; E743-V755 WeakPolarHBondContact O-CA 3.41Å; V755-F757 HydrophobicContact CB-CE2 4.23Å; V755-F757 HydrophobicContact CG1-CD2 4.35Å; V755-F757 HydrophobicContact CG1-CE2 3.87Å; V755-F757 HydrophobicContact CG1-CZ 4.29Å; V755-L780 HydrophobicContact CG2-CD1 3.62Å
756	R	89	Confident	84.6	Confident	29 Å²	29	46.5 Å²	46.5	11%	0.109	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	134.9	167.8	-176.6	-177.1	-172.1	179.6	10.3	109.2	S140 F687 M742 E743	S140-R756 PolarHBondContact O-NH2 3.07Å; F687-R756 HydrophobicContact CB-CG 4.46Å; F687-R756 HydrophobicContact CD1-CB 4.49Å; F687-R756 HydrophobicContact CD2-CB 3.73Å; F687-R756 HydrophobicContact CD2-CG 3.72Å; F687-R756 HydrophobicContact CE1-CB 4.38Å; F687-R756 HydrophobicContact CE2-CB 3.59Å; F687-R756 HydrophobicContact CE2-CG 4.11Å; F687-R756 HydrophobicContact CG-CB 4.19Å; F687-R756 HydrophobicContact CG-CG 4.05Å; F687-R756 HydrophobicContact CZ-CB 3.94Å; M742-R756 WeakPolarHBondContact CA-O 3.27Å; E743-R756 HydrophobicContact CB-CB 4.32Å; E743-R756 PolarHBondContact N-O 3.03Å; E743-R756 PolarHBondContact O-N 3.27Å
757	F	90.8	Very high	84.6	Confident	32 Å²	32	41.9 Å²	41.9	14%	0.14	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	144.4	164.9	-61.7	-109.7	0	0	0	108	T693 E741 M742 V755 F767 A771 I774 A775 L778	T693-F757 HydrophobicContact CG2-CE2 4.11Å; E741-F757 WeakPolarHBondContact O-CA 3.44Å; M742-F757 HydrophobicContact CE-CD1 4.2Å; M742-F757 HydrophobicContact CE-CE1 3.46Å; M742-F757 VanDerWaalsContact CE-CE1 3.46Å; M742-F757 HydrophobicContact CE-CE2 4.38Å; M742-F757 HydrophobicContact CE-CZ 3.57Å; M742-F757 HydrophobicContact CG-CD1 3.89Å; M742-F757 HydrophobicContact CG-CE1 4.1Å; M742-F757 HydrophobicContact SD-CD1 4.06Å; M742-F757 HydrophobicContact SD-CE1 3.67Å; M742-F757 HydrophobicContact SD-CZ 4.4Å; V755-F757 HydrophobicContact CB-CE2 4.23Å; V755-F757 HydrophobicContact CG1-CD2 4.35Å; V755-F757 HydrophobicContact CG1-CE2 3.87Å; V755-F757 HydrophobicContact CG1-CZ 4.29Å; F757-F767 HydrophobicContact CB-CE2 4.49Å; F757-F767 HydrophobicContact CB-CZ 3.96Å; F757-A771 HydrophobicContact CD1-CB 3.78Å; F757-A771 HydrophobicContact CE1-CB 4.19Å; F757-A771 HydrophobicContact CG-CB 4.4Å; F757-I774 HydrophobicContact CE1-CB 4.26Å; F757-I774 HydrophobicContact CE1-CG2 3.96Å; F757-I774 HydrophobicContact CZ-CG2 4.02Å; F757-A775 HydrophobicContact CE2-CB 4.27Å; F757-A775 HydrophobicContact CZ-CB 4.1Å; F757-L778 HydrophobicContact CZ-CD1 4.19Å
758	K	86.9	Confident	84.6	Confident	18 Å²	18	44 Å²	44	8%	0.078	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	121	173.9	-179.8	-171.8	172.6	-174.8	0	110.9	W740 E741	W740-K758 CarbonylContact C-O 3.57Å; W740-K758 VanDerWaalsContact CA-O 3.29Å; W740-K758 WeakPolarHBondContact CA-O 3.44Å; W740-K758 VanDerWaalsContact CB-O 3.29Å; W740-K758 WeakPolarHBondContact CB-O 3.14Å; E741-K758 HydrophobicContact CB-CB 4.41Å; E741-K758 PolarHBondContact N-O 3.38Å; E741-K758 PolarHBondContact O-N 2.67Å
759	R	90.5	Very high	85.4	Confident	35 Å²	35	45.9 Å²	45.9	13%	0.132	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	143.8	175.8	-161.9	176.8	66.2	84.7	6	111.5	E143 G762 S764 F767	E143-R759 IonicContact OE1-CZ 3.96Å; E143-R759 VanDerWaalsContact OE1-CZ 3.29Å; E143-R759 IonicContact OE1-NE 3.76Å; E143-R759 PolarHBondContact OE1-NE 2.78Å; E143-R759 IonicContact OE1-NH2 3.85Å; E143-R759 PolarHBondContact OE1-NH2 3.32Å; E143-R759 IonicContact OE2-CZ 2.82Å; E143-R759 IonicContact OE2-NE 2.73Å; E143-R759 PolarHBondContact OE2-NE 3.37Å; E143-R759 IonicContact OE2-NH2 3.01Å; E143-R759 PolarHBondContact OE2-NH2 3.17Å; R759-G762 PolarHBondContact NH1-O 2.88Å; R759-S764 PolarHBondContact NE-OG 3.43Å; R759-F767 HydrophobicContact CB-CD1 3.93Å; R759-F767 HydrophobicContact CB-CD2 4.22Å; R759-F767 HydrophobicContact CB-CE1 4.06Å; R759-F767 HydrophobicContact CB-CE2 4.34Å; R759-F767 HydrophobicContact CB-CG 4Å; R759-F767 HydrophobicContact CB-CZ 4.26Å; R759-F767 HydrophobicContact CG-CB 4.07Å; R759-F767 HydrophobicContact CG-CD1 4.21Å; R759-F767 HydrophobicContact CG-CD2 4.23Å; R759-F767 HydrophobicContact CG-CG 3.89Å
760	I	89.3	Confident	86.5	Confident	10 Å²	10	34.2 Å²	34.2	5%	0.051	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	-37.6	174.3	-58.5	-65.8	0	0	0	111.2	G67 K68 F726 Q739 E741	G67-I760 CarbonylContact C-O 3.58Å; G67-I760 WeakPolarHBondContact CA-O 3.45Å; K68-I760 PolarHBondContact N-O 3.01Å; F726-I760 HydrophobicContact CE2-CB 4.38Å; F726-I760 HydrophobicContact CE2-CG1 4.34Å; F726-I760 HydrophobicContact CE2-CG2 4.24Å; Q739-I760 WeakPolarHBondContact O-CA 3.43Å; Q739-I760 WeakPolarHBondContact O-CB 3.41Å; Q739-I760 PolarHBondContact O-N 3.06Å; E741-I760 HydrophobicContact CG-CD1 4.01Å; E741-I760 HydrophobicContact CG-CG1 4.01Å
761	S	88.8	Confident	87.6	Confident	13 Å²	13	30.6 Å²	30.6	9%	0.091	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	172.1	169.6	64	0	0	0	0	112	K68 V738 Q739	K68-S761 WeakPolarHBondContact O-CB 3.36Å; V738-S761 WeakPolarHBondContact CA-O 3.49Å; V738-S761 WeakPolarHBondContact CG2-O 3.38Å; Q739-S761 WeakPolarHBondContact CB-OG 3.29Å; Q739-S761 VanDerWaalsContact CG-OG 3.31Å; Q739-S761 WeakPolarHBondContact CG-OG 3.01Å; Q739-S761 PolarHBondContact N-O 2.88Å; Q739-S761 PolarHBondContact O-N 2.9Å; Q739-S761 PolarHBondContact OE1-OG 3.15Å
762	G	85.9	Confident	88	Confident	25 Å²	25	27.2 Å²	27.2	26%	0.258	15%	0.148	S	C	.	.	S	Bend	trans	90.9	165.7	-173.1	0	0	0	0	0	112.4	L737 R759	L737-G762 WeakPolarHBondContact O-CA 3.33Å; R759-G762 PolarHBondContact NH1-O 2.88Å
763	T	82.8	Confident	88.2	Confident	36 Å²	36	29 Å²	29	22%	0.221	15%	0.153	C	C	.	.			trans	-68.2	146.1	-176.9	65.4	0	0	0	0	111.7	I765 A766 F767	T763-I765 VanDerWaalsContact C-N 3.26Å; T763-I765 PolarHBondContact O-N 3.23Å; T763-A766 PolarHBondContact O-N 3Å; T763-A766 VanDerWaalsContact OG1-CB 3.28Å; T763-A766 WeakPolarHBondContact OG1-CB 3.15Å; T763-A766 PolarHBondContact OG1-N 3.05Å; T763-F767 PolarHBondContact O-N 2.96Å
764	S	79.3	Confident	88.3	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.007	15%	0.147	C	C	.	.	H	α-helix	trans	-65.6	-30.3	179	-102.4	0	0	0	0	112.6	E143 F145 E186 R759 F767 K768	E143-S764 PolarHBondContact OE2-OG 3.2Å; F145-S764 VanDerWaalsContact CD1-CB 3.44Å; F145-S764 VanDerWaalsContact CD1-OG 3.25Å; F145-S764 WeakPolarHBondContact CD1-OG 3.48Å; F145-S764 WeakPolarHBondContact CE1-O 3.35Å; F145-S764 VanDerWaalsContact CZ-O 3.29Å; F145-S764 WeakPolarHBondContact CZ-O 3.5Å; E186-S764 WeakPolarHBondContact CG-OG 3.46Å; R759-S764 PolarHBondContact NE-OG 3.43Å; S764-F767 PolarHBondContact O-N 3.25Å; S764-K768 WeakPolarHBondContact O-CB 3.12Å; S764-K768 PolarHBondContact O-N 3.09Å
765	I	81.8	Confident	88.3	Confident	83 Å²	83	28.6 Å²	28.6	43%	0.426	15%	0.154	S	C	.	.	H	α-helix	trans	-65.9	-41.5	173.7	-170.6	59.5	0	0	0	112.4	T763 K768 N769	T763-I765 VanDerWaalsContact C-N 3.26Å; T763-I765 PolarHBondContact O-N 3.23Å; I765-K768 PolarHBondContact O-N 3.25Å; I765-N769 PolarHBondContact O-N 2.8Å; I765-N769 VanDerWaalsContact O-N 3.12Å; I765-N769 PolarHBondContact O-ND2 3.27Å; I765-N769 PolarHBondContact O-OD1 3.22Å
766	A	86.3	Confident	88.2	Confident	16 Å²	16	33.3 Å²	33.3	13%	0.132	18%	0.179	C	C	.	.	H	α-helix	trans	-63.6	-44.9	173.7	0	0	0	0	0	111.3	T763 K768 N769 I770	T763-A766 PolarHBondContact O-N 3Å; T763-A766 VanDerWaalsContact OG1-CB 3.28Å; T763-A766 WeakPolarHBondContact OG1-CB 3.15Å; T763-A766 PolarHBondContact OG1-N 3.05Å; A766-K768 PolarHBondContact O-N 2.88Å; A766-N769 PolarHBondContact O-N 2.92Å; A766-I770 PolarHBondContact O-N 2.65Å; A766-I770 VanDerWaalsContact O-N 3.15Å
767	F	89.4	Confident	88.5	Confident	1 Å²	1	35.6 Å²	35.6	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-57.6	-48.1	175	176.5	-114.8	0	0	0	112.6	D146 V149 V738 W740 F757 R759 T763 S764 N769 I770 A771	D146-F767 WeakPolarHBondContact OD1-CE1 3.18Å; V149-F767 HydrophobicContact CG2-CD1 4.27Å; V149-F767 HydrophobicContact CG2-CE1 4.22Å; V738-F767 HydrophobicContact CG2-CB 3.76Å; V738-F767 HydrophobicContact CG2-CD2 4.02Å; V738-F767 HydrophobicContact CG2-CG 4.35Å; W740-F767 HydrophobicContact CB-CD2 3.96Å; W740-F767 HydrophobicContact CB-CE2 3.56Å; W740-F767 HydrophobicContact CG-CD2 4.22Å; W740-F767 AromaticContact CG-CE2 3.77Å; W740-F767 HydrophobicContact CG-CE2 3.77Å; F757-F767 HydrophobicContact CB-CE2 4.49Å; F757-F767 HydrophobicContact CB-CZ 3.96Å; R759-F767 HydrophobicContact CB-CD1 3.93Å; R759-F767 HydrophobicContact CB-CD2 4.22Å; R759-F767 HydrophobicContact CB-CE1 4.06Å; R759-F767 HydrophobicContact CB-CE2 4.34Å; R759-F767 HydrophobicContact CB-CG 4Å; R759-F767 HydrophobicContact CB-CZ 4.26Å; R759-F767 HydrophobicContact CG-CB 4.07Å; R759-F767 HydrophobicContact CG-CD1 4.21Å; R759-F767 HydrophobicContact CG-CD2 4.23Å; R759-F767 HydrophobicContact CG-CG 3.89Å; T763-F767 PolarHBondContact O-N 2.96Å; S764-F767 PolarHBondContact O-N 3.25Å; F767-N769 VanDerWaalsContact C-N 3.28Å; F767-N769 PolarHBondContact O-N 3.13Å; F767-I770 PolarHBondContact O-N 3.46Å; F767-A771 HydrophobicContact CD2-CB 4.29Å; F767-A771 HydrophobicContact CE2-CB 3.93Å; F767-A771 HydrophobicContact CZ-CB 4.12Å; F767-A771 WeakPolarHBondContact O-CB 3.45Å; F767-A771 PolarHBondContact O-N 3.05Å
768	K	83.9	Confident	88.6	Confident	47 Å²	47	34.8 Å²	34.8	20%	0.204	19%	0.188	C	C	.	.	H	α-helix	trans	-54.3	-47.2	175.3	-178.5	169.3	-179.3	-175.3	0	111.4	F145 V149 G253 S764 I765 A766 S772	F145-K768 HydrophobicContact CE1-CB 3.73Å; F145-K768 HydrophobicContact CE1-CD 4.43Å; F145-K768 HydrophobicContact CZ-CB 3.79Å; F145-K768 HydrophobicContact CZ-CD 3.9Å; F145-K768 HydrophobicContact CZ-CG 4.43Å; V149-K768 HydrophobicContact CG2-CB 3.9Å; V149-K768 HydrophobicContact CG2-CG 4.01Å; G253-K768 PolarHBondContact O-NZ 2.79Å; S764-K768 WeakPolarHBondContact O-CB 3.12Å; S764-K768 PolarHBondContact O-N 3.09Å; I765-K768 PolarHBondContact O-N 3.25Å; A766-K768 PolarHBondContact O-N 2.88Å; K768-S772 WeakPolarHBondContact O-CB 3.18Å; K768-S772 PolarHBondContact O-N 3.06Å; K768-S772 PolarHBondContact O-OG 3.2Å
769	N	88.4	Confident	88.9	Confident	100 Å²	100	41.7 Å²	41.7	54%	0.535	22%	0.218	S	C	.	.	H	α-helix	trans	-64.4	-48.1	-173.6	-67.7	-15.7	0	0	0	111.3	I765 A766 F767 K773	I765-N769 PolarHBondContact O-N 2.8Å; I765-N769 VanDerWaalsContact O-N 3.12Å; I765-N769 PolarHBondContact O-ND2 3.27Å; I765-N769 PolarHBondContact O-OD1 3.22Å; A766-N769 PolarHBondContact O-N 2.92Å; F767-N769 VanDerWaalsContact C-N 3.28Å; F767-N769 PolarHBondContact O-N 3.13Å; N769-K773 WeakPolarHBondContact O-CB 3.37Å; N769-K773 PolarHBondContact O-N 3.14Å; N769-K773 VanDerWaalsContact O-N 3.17Å
770	I	93.2	Very high	88.8	Confident	9 Å²	9	42.8 Å²	42.8	5%	0.046	23%	0.226	C	C	.	.	H	α-helix	trans	-72.6	-44.4	-180	-166.4	57.1	0	0	0	112.4	N713 H729 V738 W740 A766 F767 S772 K773 I774	N713-I770 HydrophobicContact CB-CD1 4.48Å; H729-I770 HydrophobicContact CB-CG1 4.28Å; V738-I770 HydrophobicContact CG1-CG2 3.85Å; W740-I770 HydrophobicContact CH2-CG1 4.01Å; W740-I770 HydrophobicContact CH2-CG2 4.18Å; W740-I770 HydrophobicContact CZ2-CG1 4.36Å; W740-I770 HydrophobicContact CZ2-CG2 4.49Å; W740-I770 HydrophobicContact CZ3-CG2 4.21Å; A766-I770 PolarHBondContact O-N 2.65Å; A766-I770 VanDerWaalsContact O-N 3.15Å; F767-I770 PolarHBondContact O-N 3.46Å; I770-S772 PolarHBondContact O-N 3.43Å; I770-K773 PolarHBondContact O-N 3.18Å; I770-I774 HydrophobicContact CD1-CD1 4.3Å; I770-I774 HydrophobicContact CG1-CD1 3.91Å; I770-I774 WeakPolarHBondContact O-CG1 3.35Å; I770-I774 PolarHBondContact O-N 2.96Å
771	A	91.2	Very high	88.8	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-66	-38.4	179.7	0	0	0	0	0	112.1	V149 F757 F767 K773 A775	V149-A771 HydrophobicContact CG1-CB 3.98Å; F757-A771 HydrophobicContact CD1-CB 3.78Å; F757-A771 HydrophobicContact CE1-CB 4.19Å; F757-A771 HydrophobicContact CG-CB 4.4Å; F767-A771 HydrophobicContact CD2-CB 4.29Å; F767-A771 HydrophobicContact CE2-CB 3.93Å; F767-A771 HydrophobicContact CZ-CB 4.12Å; F767-A771 WeakPolarHBondContact O-CB 3.45Å; F767-A771 PolarHBondContact O-N 3.05Å; A771-K773 VanDerWaalsContact C-N 3.34Å; A771-A775 WeakPolarHBondContact O-CB 3.23Å; A771-A775 PolarHBondContact O-N 3.4Å
772	S	87.3	Confident	88.8	Confident	32 Å²	32	46.1 Å²	46.1	22%	0.224	24%	0.242	C	C	.	.	H	α-helix	trans	-65.6	-36.6	173.7	-54.2	0	0	0	0	112.1	K768 I770 N776	K768-S772 WeakPolarHBondContact O-CB 3.18Å; K768-S772 PolarHBondContact O-N 3.06Å; K768-S772 PolarHBondContact O-OG 3.2Å; I770-S772 PolarHBondContact O-N 3.43Å; S772-N776 PolarHBondContact O-N 3.25Å; S772-N776 PolarHBondContact O-ND2 2.98Å
773	K	91.8	Very high	88.9	Confident	94 Å²	94	47.2 Å²	47.2	41%	0.409	24%	0.241	S	C	.	.	H	α-helix	trans	-64.9	-54.1	177.8	-173	-179.1	174.8	-152	0	110.3	N713 N769 I770 A771 A775 N776 E777	N713-K773 WeakPolarHBondContact OD1-CD 3.23Å; N713-K773 WeakPolarHBondContact OD1-CE 3.5Å; N713-K773 PolarHBondContact OD1-NZ 3.32Å; N769-K773 WeakPolarHBondContact O-CB 3.37Å; N769-K773 PolarHBondContact O-N 3.14Å; N769-K773 VanDerWaalsContact O-N 3.17Å; I770-K773 PolarHBondContact O-N 3.18Å; A771-K773 VanDerWaalsContact C-N 3.34Å; K773-A775 VanDerWaalsContact C-N 3.32Å; K773-A775 PolarHBondContact O-N 3.14Å; K773-N776 PolarHBondContact O-N 3.42Å; K773-E777 WeakPolarHBondContact CE-OE1 3.41Å; K773-E777 VanDerWaalsContact CG-OE1 3.31Å; K773-E777 WeakPolarHBondContact CG-OE1 3.47Å; K773-E777 PolarHBondContact O-N 2.89Å; K773-E777 VanDerWaalsContact O-N 3.13Å
774	I	94.5	Very high	89.3	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-54.6	-47.4	175.5	-65.4	162.5	0	0	0	110.7	V709 L710 W740 M742 F757 I770 N776 E777 L778	V709-I774 HydrophobicContact CG1-CB 4.4Å; V709-I774 HydrophobicContact CG1-CG1 4.45Å; V709-I774 HydrophobicContact CG1-CG2 4Å; L710-I774 HydrophobicContact CD2-CD1 3.68Å; W740-I774 HydrophobicContact CZ2-CD1 3.69Å; M742-I774 HydrophobicContact CE-CG2 3.98Å; M742-I774 HydrophobicContact SD-CG2 4.41Å; F757-I774 HydrophobicContact CE1-CB 4.26Å; F757-I774 HydrophobicContact CE1-CG2 3.96Å; F757-I774 HydrophobicContact CZ-CG2 4.02Å; I770-I774 HydrophobicContact CD1-CD1 4.3Å; I770-I774 HydrophobicContact CG1-CD1 3.91Å; I770-I774 WeakPolarHBondContact O-CG1 3.35Å; I770-I774 PolarHBondContact O-N 2.96Å; I774-N776 PolarHBondContact O-N 2.92Å; I774-N776 VanDerWaalsContact O-N 3.14Å; I774-E777 PolarHBondContact O-N 3.24Å; I774-L778 HydrophobicContact CG2-CD1 3.98Å; I774-L778 HydrophobicContact CG2-CG 4.12Å; I774-L778 VanDerWaalsContact O-CG 3.29Å; I774-L778 WeakPolarHBondContact O-CG 2.87Å; I774-L778 PolarHBondContact O-N 3.1Å
775	A	90.9	Very high	89.9	Confident	17 Å²	17	50.8 Å²	50.8	14%	0.14	26%	0.257	C	S	.	.	H	α-helix	trans	-67.1	-9.6	179	0	0	0	0	0	115.5	T693 F757 A771 K773	T693-A775 HydrophobicContact CG2-CB 3.73Å; F757-A775 HydrophobicContact CE2-CB 4.27Å; F757-A775 HydrophobicContact CZ-CB 4.1Å; A771-A775 WeakPolarHBondContact O-CB 3.23Å; A771-A775 PolarHBondContact O-N 3.4Å; K773-A775 VanDerWaalsContact C-N 3.32Å; K773-A775 PolarHBondContact O-N 3.14Å
776	N	90.8	Very high	90.5	Very high	100 Å²	100	48.7 Å²	48.7	54%	0.535	25%	0.246	S	C	.	.	H	α-helix	trans	-98.6	-23	170.2	-68	-36.2	0	0	0	112.9	K692 S772 K773 I774	K692-N776 PolarHBondContact NZ-OD1 3.41Å; S772-N776 PolarHBondContact O-N 3.25Å; S772-N776 PolarHBondContact O-ND2 2.98Å; K773-N776 PolarHBondContact O-N 3.42Å; I774-N776 PolarHBondContact O-N 2.92Å; I774-N776 VanDerWaalsContact O-N 3.14Å
777	E	94.4	Very high	90.8	Very high	78 Å²	78	51 Å²	51	36%	0.364	25%	0.254	S	S	.	.	H	α-helix	trans	-96.5	-20.2	-175.5	-71.1	174.1	-167.7	0	0	113.1	V709 N713 K773 I774 K779	V709-E777 HydrophobicContact CG1-CB 3.91Å; N713-E777 PolarHBondContact ND2-OE2 3.01Å; K773-E777 WeakPolarHBondContact CE-OE1 3.41Å; K773-E777 VanDerWaalsContact CG-OE1 3.31Å; K773-E777 WeakPolarHBondContact CG-OE1 3.47Å; K773-E777 PolarHBondContact O-N 2.89Å; K773-E777 VanDerWaalsContact O-N 3.13Å; I774-E777 PolarHBondContact O-N 3.24Å; E777-K779 PolarHBondContact O-N 2.78Å
778	L	93.8	Very high	90.9	Very high	14 Å²	14	54.8 Å²	54.8	7%	0.073	27%	0.273	C	S	.	.			trans	-57	122.9	170.9	-81.8	171.3	0	0	0	112.3	T693 E705 I706 V709 F757 I774 L780	T693-L778 HydrophobicContact CG2-CD1 4.45Å; E705-L778 HydrophobicContact CG-CD2 4.37Å; I706-L778 HydrophobicContact CB-CD2 4.36Å; I706-L778 HydrophobicContact CG1-CD2 3.7Å; V709-L778 HydrophobicContact CB-CD2 4.32Å; V709-L778 HydrophobicContact CG2-CD2 4.2Å; F757-L778 HydrophobicContact CZ-CD1 4.19Å; I774-L778 HydrophobicContact CG2-CD1 3.98Å; I774-L778 HydrophobicContact CG2-CG 4.12Å; I774-L778 VanDerWaalsContact O-CG 3.29Å; I774-L778 WeakPolarHBondContact O-CG 2.87Å; I774-L778 PolarHBondContact O-N 3.1Å; L778-L780 HydrophobicContact CB-CD1 4.11Å; L778-L780 HydrophobicContact CB-CG 4.12Å; L778-L780 HydrophobicContact CD1-CD1 4.16Å; L778-L780 HydrophobicContact CD2-CD1 4.39Å; L778-L780 HydrophobicContact CD2-CD2 4.36Å; L778-L780 HydrophobicContact CD2-CG 4.39Å; L778-L780 HydrophobicContact CG-CD1 4.46Å
779	K	92.5	Very high	91.5	Very high	164 Å²	164	55.5 Å²	55.5	71%	0.713	28%	0.279	S	S	*	.			trans	-107.2	82.5	176.6	-65	173	-173.3	177.5	0	109.4	E705 E777	E705-K779 HydrophobicContact CG-CB 4.45Å; E777-K779 PolarHBondContact O-N 2.78Å
780	L	88.8	Confident	91.7	Very high	57 Å²	57	51.5 Å²	51.5	30%	0.298	26%	0.256	S	S	.	.			trans	-105.6	0	-173.6	-59.1	172.2	0	0	0	111.8	S695 M697 M702 E705 V755 L778	S695-L780 WeakPolarHBondContact CB-OXT 3.43Å; S695-L780 PolarHBondContact OG-OXT 3.32Å; M697-L780 HydrophobicContact CE-CB 4.36Å; M697-L780 HydrophobicContact CE-CD2 3.62Å; M702-L780 HydrophobicContact CB-CD2 4.08Å; M702-L780 HydrophobicContact CE-CD1 4.01Å; M702-L780 HydrophobicContact CE-CD2 4.34Å; M702-L780 HydrophobicContact CG-CD2 4.11Å; E705-L780 HydrophobicContact CB-CD2 4.2Å; E705-L780 HydrophobicContact CG-CD2 4.48Å; V755-L780 HydrophobicContact CG2-CD1 3.62Å; L778-L780 HydrophobicContact CB-CD1 4.11Å; L778-L780 HydrophobicContact CB-CG 4.12Å; L778-L780 HydrophobicContact CD1-CD1 4.16Å; L778-L780 HydrophobicContact CD2-CD1 4.39Å; L778-L780 HydrophobicContact CD2-CD2 4.36Å; L778-L780 HydrophobicContact CD2-CG 4.39Å; L778-L780 HydrophobicContact CG-CD1 4.46Å

Retrieved 780 of 780 residues in 155.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).