A0A087WZL3_HUMAN Loading...

Tyrosine-protein kinase receptor

AlphaFold DB , UniProt , Accession A0A087WZL3, Species HUMAN (Homo sapiens, Human), Gene ALK, Length 1,243 aa.

						>A0A087WZL3_HUMAN|A0A087WZL3|ALK
MPTPGKHGWTVLQGRIGRPDNPFRVALEYISSGNRSLSAVDFFALKNCSEGTSPGSKMALQSSFTCWNGTVLQLGQACDFHQDCAQGEDESQMCRKLPVGFYCNFEDGFCGWTQGTLSPHTPQWQVRTLKDARFQDHQDHALLLSTTDVPASESATVTSATFPAPIKSSPCELRMSWLIRGVLRGNVSLVLVENKTGKEQGRMVWHVAAYEGLSLWQWMVLPLLDVSDRFWLQMVAWWGQGSRAIVAFDNISISLDCYLTISGEDKILQNTAPKSRNLFERNPNKELKPGENSPRQTPIFDPTVHWLFTTCGASGPHGPTQAQCNNAYQNSNLSVEVGSEGPLKGIQIWKVPATDTYSISGYGAAGGKGGKNTMMRSHGVSVLGIFNLEKDDMLYILVGQQGEDACPSTNQLIQKVCIGENNVIEEEIRVNRSVHEWAGGGGGGGGATYVFKMKDGVPVPLIIAAGGGGRAYGAKTDTFHPERLENNSSVLGLNGNSGAAGGGGGWNDNTSLLWAGKSLQEGATGGHSCPQAMKKWGWETRGGFGGGGGGCSSGGGGGGYIGGNAASNNDPEMDGEDGVSFISPLGILYTPALKVMEGHGEVNIKHYLNCSHCEVDECHMDPESHKVICFCDHGTVLAEDGVSCIVSPTPEPHLPLSLILSVVTSALVAALVLAFSGIMIVYRRKHQELQAMQMELQSPEYKLSKLRTSTIMTDYNPNYCFAGKTSSISDLKEVPRKNITLIRGLGHGAFGEVYEGQVSGMPNDPSPLQVAVKTLPEVCSEQDELDFLMEALIISKFNHQNIVRCIGVSLQSLPRFILLELMAGGDLKSFLRETRPRPSQPSSLAMLDLLHVARDIACGCQYLEENHFIHRDIAARNCLLTCPGPGRVAKIGDFGMARDIYRASYYRKGGCAMLPVKWMPPEAFMEGIFTSKTDTWSFGVLLWEIFSLGYMPYPSKSNQEVLEFVTSGGRMDPPKNCPGPVYRIMTQCWQHQPEDRPNFAIILERIEYCTQDPDVINTALPIEYGPLVEEEEKVPVRPKDPEGVPPLLVSQQAKREEERSPAAPPPLPTTSSGKAAKKPTAAEISVRVPRGPAVEGGHVNMAFSQSNPPSELHKVHGSRNKPTSLWNPTYGSWFTEKPTKKNNPIAKKEPHDRGNLGLEGSCTVPPNVATGRLPGASLLLEPSSLTANMKEVPLFRLRHFPCGNVNYGYQQQGLPLEAATAPGAGHYEDTILKSKNSMNQPGP
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.9	Very low	51.6	Low	233 Å²	233	141.5 Å²	141.5	100%	1.148	80%	0.798	S	S	*	*				0	101.5	0	-71.6	-56.3	-160.6	0	0	109.9
2	P	37.5	Very low	52.8	Low	117 Å²	117	142 Å²	142	76%	0.76	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-82	157.7	163.4	-4.4	24.4	0	0	0	110.9
3	T	41.8	Very low	54	Low	130 Å²	130	143.8 Å²	143.8	80%	0.798	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-86.2	152.8	178.5	39.9	0	0	0	0	113
4	P	41.6	Very low	54.7	Low	131 Å²	131	139 Å²	139	85%	0.851	79%	0.794	S	S	*	*	S	Bend	trans	-69.8	144.5	174.9	30.3	-35.1	0	0	0	111.2
5	G	47.3	Very low	55.5	Low	71 Å²	71	146.4 Å²	146.4	73%	0.732	80%	0.804	S	S	*	*			trans	125.7	8.8	171.3	0	0	0	0	0	117.4
6	K	45	Very low	55.9	Low	203 Å²	203	142.2 Å²	142.2	88%	0.883	78%	0.779	S	S	*	*			trans	-119.8	113.7	167.8	-74.4	-168.5	175.7	-174.6	0	111.3	G8	K6-G8 PolarHBondContact O-N 3.38Å
7	H	53.8	Low	56.1	Low	202 Å²	202	137.5 Å²	137.5	94%	0.935	77%	0.771	S	S	*	*			trans	-86.1	104	168.2	-63.6	-79.9	0	0	0	108.8
8	G	60.2	Low	56.2	Low	56 Å²	56	142.8 Å²	142.8	58%	0.577	78%	0.777	S	S	*	*	S	Bend	trans	173.3	149.3	178.8	0	0	0	0	0	112.4	K6 T10	K6-G8 PolarHBondContact O-N 3.38Å; G8-T10 PolarHBondContact O-N 3.47Å; G8-T10 PolarHBondContact O-OG1 3.46Å
9	W	66.4	Low	56.2	Low	184 Å²	184	138.4 Å²	138.4	70%	0.697	76%	0.757	S	S	*	*			trans	-59	132.1	179.4	-63.4	110.5	0	0	0	111.5	A39 D41	W9-A39 HydrophobicContact CH2-CB 3.62Å; W9-A39 HydrophobicContact CZ3-CB 3.87Å; W9-A39 WeakPolarHBondContact CZ3-O 3.41Å; W9-D41 HydrophobicContact CE3-CB 4.08Å; W9-D41 HydrophobicContact CH2-CB 3.66Å; W9-D41 HydrophobicContact CZ2-CB 4.19Å; W9-D41 HydrophobicContact CZ3-CB 3.59Å
10	T	63.2	Low	55.5	Low	109 Å²	109	138.9 Å²	138.9	67%	0.669	76%	0.758	S	S	*	*			trans	-127.5	120.1	-178.2	-61.8	0	0	0	0	109.2	G8 L12	G8-T10 PolarHBondContact O-N 3.47Å; G8-T10 PolarHBondContact O-OG1 3.46Å; T10-L12 HydrophobicContact CG2-CD2 4.41Å
11	V	69.5	Low	55.2	Low	121 Å²	121	138.4 Å²	138.4	73%	0.733	76%	0.755	S	S	*	*			trans	-80.8	127.5	179.2	-179.8	0	0	0	0	110	Q13	V11-Q13 HydrophobicContact CG1-CG 4.25Å
12	L	65.6	Low	55.5	Low	147 Å²	147	133.8 Å²	133.8	77%	0.77	74%	0.742	S	S	*	*			trans	-112.3	143.2	173.6	-59.8	176.7	0	0	0	109.5	T10	T10-L12 HydrophobicContact CG2-CD2 4.41Å
13	Q	68.3	Low	56.6	Low	166 Å²	166	133.1 Å²	133.1	78%	0.776	73%	0.727	S	S	*	*			trans	-139.8	141.7	178.5	-65.5	-177	11.3	0	0	110.7	V11	V11-Q13 HydrophobicContact CG1-CG 4.25Å
14	G	64.1	Low	57	Low	76 Å²	76	137.6 Å²	137.6	78%	0.784	73%	0.73	S	S	*	*			trans	-145.5	149.9	172.4	0	0	0	0	0	109.5
15	R	66.7	Low	57.8	Low	250 Å²	250	134.7 Å²	134.7	94%	0.943	71%	0.709	S	S	*	*			trans	-97.2	121.7	-179.8	-173	-180	-66.6	-166.4	0	110
16	I	61.5	Low	58	Low	79 Å²	79	134.8 Å²	134.8	41%	0.405	70%	0.703	S	S	.	*			trans	-90	141.2	169.2	-51.1	-175.3	0	0	0	107.7	F23 V25 L45	I16-F23 HydrophobicContact CD1-CE2 3.99Å; I16-F23 HydrophobicContact CG2-CE2 3.89Å; I16-F23 HydrophobicContact CG2-CZ 4.25Å; I16-V25 HydrophobicContact CD1-CG2 3.53Å; I16-L45 HydrophobicContact CD1-CD2 3.82Å
17	G	59.7	Low	58.8	Low	63 Å²	63	131.5 Å²	131.5	65%	0.649	70%	0.695	S	S	*	*			trans	-72.9	-178.3	176.8	0	0	0	0	0	112.8	P19	G17-P19 VanDerWaalsContact O-CD 3.29Å; G17-P19 WeakPolarHBondContact O-CD 3.29Å
18	R	57	Low	58.9	Low	232 Å²	232	129.8 Å²	129.8	88%	0.875	69%	0.687	S	S	*	*			trans	-74.8	120.9	169.7	-161.1	178.7	-159.8	169	5	108.6
19	P	56.9	Low	58.9	Low	60 Å²	60	133 Å²	133	39%	0.39	68%	0.683	S	S	.	*			trans	-111	120.8	-177.6	32.8	-18	0	0	0	111.1	G17 N21 F23	G17-P19 VanDerWaalsContact O-CD 3.29Å; G17-P19 WeakPolarHBondContact O-CD 3.29Å; P19-N21 VanDerWaalsContact C-N 3.26Å; P19-N21 PolarHBondContact O-N 3.42Å; P19-F23 HydrophobicContact CB-CD1 3.7Å; P19-F23 HydrophobicContact CB-CE1 4.13Å; P19-F23 HydrophobicContact CB-CG 4.25Å; P19-F23 HydrophobicContact CG-CD1 3.35Å; P19-F23 HydrophobicContact CG-CE1 3.27Å; P19-F23 HydrophobicContact CG-CG 4.25Å; P19-F23 HydrophobicContact CG-CZ 4.08Å
20	D	42.6	Very low	58.6	Low	147 Å²	147	130.5 Å²	130.5	79%	0.786	68%	0.682	S	S	*	*	S	Bend	trans	-83	-1.8	-175.5	-49.4	-56.6	0	0	0	113.6
21	N	48.3	Very low	58.4	Low	130 Å²	130	128.6 Å²	128.6	70%	0.695	67%	0.672	S	S	*	*	S	Bend	trans	-130.4	152.3	175	-79.1	-69.5	0	0	0	110.3	P19 F23	P19-N21 VanDerWaalsContact C-N 3.26Å; P19-N21 PolarHBondContact O-N 3.42Å; N21-F23 PolarHBondContact O-N 2.98Å
22	P	49	Very low	57.9	Low	135 Å²	135	128.7 Å²	128.7	88%	0.877	68%	0.679	S	S	*	*			trans	-59.2	126.8	175.9	24.9	-34	0	0	0	110.7
23	F	59.5	Low	57.4	Low	103 Å²	103	124.1 Å²	124.1	45%	0.452	67%	0.667	S	S	.	*			trans	-124.9	152	-172.3	72.2	-75.8	0	0	0	111	I16 P19 N21 V25	I16-F23 HydrophobicContact CD1-CE2 3.99Å; I16-F23 HydrophobicContact CG2-CE2 3.89Å; I16-F23 HydrophobicContact CG2-CZ 4.25Å; P19-F23 HydrophobicContact CB-CD1 3.7Å; P19-F23 HydrophobicContact CB-CE1 4.13Å; P19-F23 HydrophobicContact CB-CG 4.25Å; P19-F23 HydrophobicContact CG-CD1 3.35Å; P19-F23 HydrophobicContact CG-CE1 3.27Å; P19-F23 HydrophobicContact CG-CG 4.25Å; P19-F23 HydrophobicContact CG-CZ 4.08Å; N21-F23 PolarHBondContact O-N 2.98Å; F23-V25 HydrophobicContact CD2-CG2 4.21Å; F23-V25 HydrophobicContact CE2-CG2 3.69Å
24	R	51.1	Low	56.8	Low	225 Å²	225	123.8 Å²	123.8	85%	0.849	67%	0.67	S	S	*	*			trans	-107.7	126	176.8	178.6	177.7	177.1	-176	-0.7	110.1
25	V	58.8	Low	56.5	Low	69 Å²	69	132.3 Å²	132.3	42%	0.418	68%	0.679	S	S	.	*			trans	-86.9	133.3	159.3	-171.2	0	0	0	0	107.8	I16 F23 F43	I16-V25 HydrophobicContact CD1-CG2 3.53Å; F23-V25 HydrophobicContact CD2-CG2 4.21Å; F23-V25 HydrophobicContact CE2-CG2 3.69Å; V25-F43 HydrophobicContact CG1-CZ 4.26Å
26	A	51.2	Low	56	Low	73 Å²	73	123.4 Å²	123.4	60%	0.603	66%	0.655	S	S	*	*			trans	-122.6	138.1	171.2	0	0	0	0	0	108.9
27	L	61.3	Low	55.9	Low	134 Å²	134	128 Å²	128	70%	0.702	68%	0.679	S	S	*	*			trans	-107.3	117.9	172.8	-157.2	83	0	0	0	107.7	V40	L27-V40 HydrophobicContact CD2-CG2 3.93Å
28	E	55.2	Low	55.9	Low	166 Å²	166	128.6 Å²	128.6	78%	0.776	67%	0.674	S	S	*	*			trans	-109.7	125.1	-177.4	-170.7	171.6	-149.9	0	0	110.3	I30	E28-I30 HydrophobicContact CG-CG1 4.06Å
29	Y	60.3	Low	56.2	Low	125 Å²	125	120.7 Å²	120.7	49%	0.49	66%	0.658	S	S	.	*			trans	-106.7	106.5	176.1	168.6	-101.1	0	0	0	109.6	S31 S36 S38	Y29-S31 PolarHBondContact OH-OG 3.41Å; Y29-S36 PolarHBondContact OH-O 3.48Å; Y29-S36 PolarHBondContact OH-OG 2.99Å; Y29-S38 VanDerWaalsContact CE2-OG 3.28Å; Y29-S38 WeakPolarHBondContact CE2-OG 3.5Å
30	I	61.5	Low	56.6	Low	131 Å²	131	122.6 Å²	122.6	67%	0.672	67%	0.668	S	S	*	*			trans	-95.2	100.8	179.3	-55.5	179.2	0	0	0	108.5	E28 S32	E28-I30 HydrophobicContact CG-CG1 4.06Å; I30-S32 PolarHBondContact O-N 3.4Å
31	S	58.7	Low	57.8	Low	68 Å²	68	121.6 Å²	121.6	48%	0.476	66%	0.663	S	S	.	*			trans	-75.9	113.8	-178.9	-158.7	0	0	0	0	111.7	Y29 G33	Y29-S31 PolarHBondContact OH-OG 3.41Å; S31-G33 VanDerWaalsContact C-N 3.3Å; S31-G33 PolarHBondContact O-N 2.99Å
32	S	58.6	Low	58.1	Low	124 Å²	124	122.9 Å²	122.9	87%	0.867	66%	0.663	S	S	*	*			trans	-93.6	42	177.2	45.9	0	0	0	0	113.5	I30	I30-S32 PolarHBondContact O-N 3.4Å
33	G	54.6	Low	58.8	Low	50 Å²	50	122.4 Å²	122.4	52%	0.515	65%	0.647	S	S	.	*	S	Bend	trans	99.6	145.7	170.2	0	0	0	0	0	115.7	S31	S31-G33 VanDerWaalsContact C-N 3.3Å; S31-G33 PolarHBondContact O-N 2.99Å
34	N	57.2	Low	58.9	Low	159 Å²	159	119.8 Å²	119.8	85%	0.85	64%	0.644	S	S	*	*	S	Bend	trans	49.7	91.1	172	-73.2	-10.5	0	0	0	118.1	S36	N34-S36 VanDerWaalsContact C-N 3.3Å; N34-S36 PolarHBondContact O-N 3.32Å
35	R	56.8	Low	59.6	Low	255 Å²	255	113.2 Å²	113.2	96%	0.962	63%	0.626	S	S	*	*			trans	50.3	32.7	146.3	-77.6	-173.2	162.6	-174.1	-5.5	117.5	L37	R35-L37 PolarHBondContact O-N 3.48Å
36	S	57.1	Low	59.5	Low	64 Å²	64	117.3 Å²	117.3	45%	0.448	64%	0.638	S	S	.	*			trans	-81.9	97.5	168.1	43.1	0	0	0	0	111	Y29 N34 S38	Y29-S36 PolarHBondContact OH-O 3.48Å; Y29-S36 PolarHBondContact OH-OG 2.99Å; N34-S36 VanDerWaalsContact C-N 3.3Å; N34-S36 PolarHBondContact O-N 3.32Å; S36-S38 PolarHBondContact O-N 3.45Å
37	L	57.9	Low	59.4	Low	174 Å²	174	121.8 Å²	121.8	91%	0.911	65%	0.652	S	S	*	*			trans	-68.4	114.7	172.6	-167	78.4	0	0	0	109.5	R35	R35-L37 PolarHBondContact O-N 3.48Å
38	S	61.1	Low	59.2	Low	76 Å²	76	119.7 Å²	119.7	53%	0.531	65%	0.647	S	S	.	*			trans	-110.4	116.1	176.1	-58.7	0	0	0	0	109	Y29 S36	Y29-S38 VanDerWaalsContact CE2-OG 3.28Å; Y29-S38 WeakPolarHBondContact CE2-OG 3.5Å; S36-S38 PolarHBondContact O-N 3.45Å
39	A	63	Low	58.8	Low	67 Å²	67	117.3 Å²	117.3	55%	0.554	65%	0.649	S	S	*	*			trans	-103.3	148	175.2	0	0	0	0	0	110.6	W9	W9-A39 HydrophobicContact CH2-CB 3.62Å; W9-A39 HydrophobicContact CZ3-CB 3.87Å; W9-A39 WeakPolarHBondContact CZ3-O 3.41Å
40	V	64	Low	58.3	Low	99 Å²	99	120.6 Å²	120.6	60%	0.6	67%	0.669	S	S	*	*			trans	-122	119.8	168.6	-179.9	0	0	0	0	106.4	L27	L27-V40 HydrophobicContact CD2-CG2 3.93Å
41	D	67.5	Low	57.1	Low	126 Å²	126	117.9 Å²	117.9	67%	0.674	67%	0.673	S	S	*	*			trans	-92.4	-79.9	178	169.2	51.2	0	0	0	109.1	W9	W9-D41 HydrophobicContact CE3-CB 4.08Å; W9-D41 HydrophobicContact CH2-CB 3.66Å; W9-D41 HydrophobicContact CZ2-CB 4.19Å; W9-D41 HydrophobicContact CZ3-CB 3.59Å
42	F	56.2	Low	55.6	Low	158 Å²	158	121.4 Å²	121.4	69%	0.693	69%	0.692	S	S	*	*			trans	-98.4	118.7	-176.6	-165.1	-102.8	0	0	0	113.8	A44	F42-A44 HydrophobicContact CD1-CB 4.29Å; F42-A44 HydrophobicContact CE1-CB 3.45Å; F42-A44 VanDerWaalsContact CE1-CB 3.45Å; F42-A44 HydrophobicContact CZ-CB 3.7Å
43	F	63.1	Low	54.3	Low	124 Å²	124	120.6 Å²	120.6	54%	0.544	69%	0.687	S	S	.	*			trans	-120.9	128.5	167	179.6	-88.4	0	0	0	109.8	V25 L45	V25-F43 HydrophobicContact CG1-CZ 4.26Å; F43-L45 HydrophobicContact CE1-CD2 4.32Å; F43-L45 HydrophobicContact CE1-CG 4.47Å; F43-L45 HydrophobicContact CZ-CD2 4.27Å
44	A	61.3	Low	53.3	Low	48 Å²	48	124.1 Å²	124.1	40%	0.397	70%	0.7	S	S	.	*			trans	-148.9	135.3	178.9	0	0	0	0	0	112.5	F42	F42-A44 HydrophobicContact CD1-CB 4.29Å; F42-A44 HydrophobicContact CE1-CB 3.45Å; F42-A44 VanDerWaalsContact CE1-CB 3.45Å; F42-A44 HydrophobicContact CZ-CB 3.7Å
45	L	65.1	Low	51.9	Low	87 Å²	87	119.1 Å²	119.1	46%	0.455	69%	0.686	S	S	.	*			trans	-78.7	121.2	165.5	-59.5	178.1	0	0	0	108.4	I16 F43	I16-L45 HydrophobicContact CD1-CD2 3.82Å; F43-L45 HydrophobicContact CE1-CD2 4.32Å; F43-L45 HydrophobicContact CE1-CG 4.47Å; F43-L45 HydrophobicContact CZ-CD2 4.27Å
46	K	57.6	Low	50.7	Low	155 Å²	155	111.8 Å²	111.8	67%	0.674	67%	0.674	S	S	*	*			trans	-101.4	141.8	-179.7	-66.1	-165.4	174.7	-168.1	0	111.3	C48	K46-C48 VanDerWaalsContact C-N 3.32Å; K46-C48 PolarHBondContact O-N 3.17Å
47	N	50.1	Low	49.5	Very low	167 Å²	167	118.3 Å²	118.3	89%	0.893	69%	0.694	S	S	*	*	S	Bend	trans	61.7	31.3	-179.6	-57	14.9	0	0	0	114.6	S49	N47-S49 PolarHBondContact O-N 2.73Å
48	C	57	Low	48.2	Very low	90 Å²	90	114.1 Å²	114.1	61%	0.608	67%	0.671	S	S	*	*			trans	-78.3	109.7	158.6	-64.3	0	0	0	0	108	K46	K46-C48 VanDerWaalsContact C-N 3.32Å; K46-C48 PolarHBondContact O-N 3.17Å
49	S	45.5	Very low	46.9	Very low	116 Å²	116	115.1 Å²	115.1	81%	0.811	68%	0.684	S	S	*	*			trans	-68.5	146	179.7	52.9	0	0	0	0	111.8	N47	N47-S49 PolarHBondContact O-N 2.73Å
50	E	50.7	Low	45.9	Very low	194 Å²	194	114.7 Å²	114.7	91%	0.907	67%	0.672	S	S	*	*			trans	-86	141.6	-151.8	-63.5	158.7	128	0	0	114.9
51	G	35.4	Very low	45	Very low	74 Å²	74	117.8 Å²	117.8	76%	0.763	68%	0.68	S	S	*	*	S	Bend	trans	-119.8	102.4	155.8	0	0	0	0	0	108.4
52	T	28.5	Very low	44.4	Very low	142 Å²	142	115.2 Å²	115.2	87%	0.871	67%	0.672	S	S	*	*			trans	27	100.9	168.5	-42.2	0	0	0	0	117.2
53	S	31.2	Very low	44.7	Very low	108 Å²	108	109.1 Å²	109.1	76%	0.755	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-75	146.7	178.5	52.6	0	0	0	0	113.5
54	P	33.4	Very low	45.1	Very low	123 Å²	123	104.3 Å²	104.3	80%	0.799	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-97.3	160.7	-169.8	37.9	-36.7	0	0	0	114.6
55	G	28.2	Very low	45.7	Very low	54 Å²	54	105.4 Å²	105.4	56%	0.557	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-69.3	164.5	158.3	0	0	0	0	0	112.3	K57	G55-K57 PolarHBondContact O-N 3.12Å
56	S	30.8	Very low	46.3	Very low	102 Å²	102	101.4 Å²	101.4	71%	0.713	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-63.8	122.1	-175.4	49.5	0	0	0	0	113.2	M58	S56-M58 PolarHBondContact O-N 2.76Å; S56-M58 VanDerWaalsContact O-N 3.13Å
57	K	30.9	Very low	47.2	Very low	201 Å²	201	103.2 Å²	103.2	87%	0.874	61%	0.612	S	S	*	*			trans	-72.7	96.1	155.3	-73.8	-163.1	174.6	-164.2	0	109.2	G55	G55-K57 PolarHBondContact O-N 3.12Å
58	M	30.6	Very low	48.2	Very low	86 Å²	86	101.5 Å²	101.5	42%	0.424	60%	0.602	S	S	.	*			trans	-70.4	139.2	141.6	-75.2	-166.6	165.7	0	0	107.4	S56 L97 L259	S56-M58 PolarHBondContact O-N 2.76Å; S56-M58 VanDerWaalsContact O-N 3.13Å; M58-L97 HydrophobicContact CE-CD2 4Å; M58-L97 HydrophobicContact SD-CD2 3.75Å; M58-L259 HydrophobicContact CB-CD2 4.35Å; M58-L259 WeakPolarHBondContact O-CD2 3.45Å
59	A	33.8	Very low	48.7	Very low	96 Å²	96	99.7 Å²	99.7	79%	0.793	60%	0.599	S	S	*	*			trans	-130.3	66.7	179.7	0	0	0	0	0	108.4
60	L	41.8	Very low	50	Low	59 Å²	59	97.3 Å²	97.3	31%	0.309	58%	0.58	S	S	.	*			trans	-71.5	152.2	154.1	-75.4	128.8	0	0	0	107.9	F64 L74 L259	L60-F64 HydrophobicContact CD2-CD2 4.41Å; L60-L74 HydrophobicContact CB-CD2 4.24Å; L60-L259 HydrophobicContact CB-CD1 4.02Å; L60-L259 HydrophobicContact CD1-CD1 4.24Å
61	Q	45.8	Very low	51.2	Low	163 Å²	163	92.4 Å²	92.4	76%	0.762	56%	0.563	S	S	*	*			trans	-68.5	167.7	166.5	-69.2	172.2	-108.1	0	0	109.1	S63	Q61-S63 PolarHBondContact O-N 3.14Å
62	S	55.3	Low	53.1	Low	72 Å²	72	89.5 Å²	89.5	50%	0.503	53%	0.53	S	S	.	.	S	Bend	trans	-69.5	23.4	-176.9	58.4	0	0	0	0	114.8
63	S	61.4	Low	55.4	Low	31 Å²	31	88.4 Å²	88.4	22%	0.217	52%	0.515	C	S	.	.	S	Bend	trans	-165.8	147.7	177.5	54.2	0	0	0	0	108.8	Q61 V71 L72	Q61-S63 PolarHBondContact O-N 3.14Å; S63-V71 VanDerWaalsContact CB-CG1 3.42Å; S63-V71 WeakPolarHBondContact OG-CG1 3.4Å; S63-L72 CarbonylContact C-O 3.51Å; S63-L72 VanDerWaalsContact CA-O 3.29Å; S63-L72 WeakPolarHBondContact CA-O 3.44Å; S63-L72 VanDerWaalsContact CB-O 3.25Å; S63-L72 WeakPolarHBondContact CB-O 3.28Å
64	F	71.5	Confident	57.4	Low	22 Å²	22	83.7 Å²	83.7	10%	0.096	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	154.3	168	-174.1	-103.8	0	0	0	109.5	L60 V71 L72 A77 E88 D89 M93	L60-F64 HydrophobicContact CD2-CD2 4.41Å; F64-V71 CarbonylContact O-C 3.49Å; F64-V71 WeakPolarHBondContact O-CA 3.23Å; F64-L72 HydrophobicContact CB-CB 4.4Å; F64-L72 HydrophobicContact CD1-CD1 4.32Å; F64-L72 PolarHBondContact N-O 2.68Å; F64-L72 PolarHBondContact O-N 3.47Å; F64-A77 HydrophobicContact CB-CB 4.13Å; F64-A77 HydrophobicContact CD1-CB 4.48Å; F64-A77 HydrophobicContact CG-CB 4.16Å; F64-E88 HydrophobicContact CE1-CG 4.28Å; F64-D89 HydrophobicContact CD1-CB 4.25Å; F64-D89 VanDerWaalsContact CE1-CA 3.49Å; F64-D89 HydrophobicContact CE1-CB 3.86Å; F64-M93 HydrophobicContact CD2-CE 3.93Å; F64-M93 HydrophobicContact CE2-CE 3.84Å; F64-M93 HydrophobicContact CE2-CG 4.2Å
65	T	74.6	Confident	59.3	Low	72 Å²	72	78.2 Å²	78.2	44%	0.442	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	115.9	179.7	-54.3	0	0	0	0	110.7	T70 V71	T65-T70 CarbonylContact C-O 3.59Å; T65-T70 WeakPolarHBondContact CA-O 3.41Å; T65-V71 HydrophobicContact CG2-CG2 4.19Å
66	C	78.9	Confident	61.8	Low	3 Å²	3	78.9 Å²	78.9	2%	0.02	44%	0.436	C	S	.	.			trans	-64.3	154.4	175.4	-45.7	0	0	0	0	110.8	N68 G69 T70 C84 E88	C66-N68 PolarHBondContact O-N 3.46Å; C66-G69 PolarHBondContact O-N 3.2Å; C66-T70 PolarHBondContact N-O 2.97Å; C66-C84 HydrophobicContact CB-CB 3.8Å; C66-C84 WeakPolarHBondContact CB-SG 3.48Å; C66-C84 VanDerWaalsContact SG-CA 3.53Å; C66-C84 WeakPolarHBondContact SG-CB 3.4Å; C66-C84 CovalentContact SG-SG 2.03Å; C66-C84 PolarHBondContact SG-SG 3.4Å; C66-E88 VanDerWaalsContact CA-CD 3.47Å; C66-E88 WeakPolarHBondContact CA-OE1 3.28Å; C66-E88 WeakPolarHBondContact CA-OE2 3.39Å; C66-E88 HydrophobicContact CB-CG 4.46Å; C66-E88 VanDerWaalsContact CB-OE1 3.29Å; C66-E88 WeakPolarHBondContact CB-OE1 3.17Å
67	W	76.2	Confident	64.2	Low	193 Å²	193	74.1 Å²	74.1	73%	0.731	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-21.5	178	-63.8	-16.3	0	0	0	113.3	G69 E88	W67-G69 VanDerWaalsContact C-N 3.29Å; W67-E88 PolarHBondContact N-OE1 3.07Å; W67-E88 PolarHBondContact N-OE2 2.78Å; W67-E88 PolarHBondContact NE1-OE2 2.78Å
68	N	70.8	Confident	66.8	Low	130 Å²	130	64.6 Å²	64.6	70%	0.695	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	2.7	173.9	-158.1	45.1	0	0	0	113.9	C66	C66-N68 PolarHBondContact O-N 3.46Å
69	G	67.4	Low	69.3	Low	52 Å²	52	61.2 Å²	61.2	54%	0.536	35%	0.345	S	S	.	.	S	Bend	trans	87.6	-2.6	178.4	0	0	0	0	0	115.8	C66 W67	C66-G69 PolarHBondContact O-N 3.2Å; W67-G69 VanDerWaalsContact C-N 3.29Å
70	T	73.7	Confident	71.7	Confident	67 Å²	67	58.6 Å²	58.6	41%	0.411	32%	0.316	S	S	.	.			trans	-62.7	135.1	171.5	-49.3	0	0	0	0	110.1	T65 C66 L72	T65-T70 CarbonylContact C-O 3.59Å; T65-T70 WeakPolarHBondContact CA-O 3.41Å; C66-T70 PolarHBondContact N-O 2.97Å; T70-L72 HydrophobicContact CG2-CD2 4.23Å
71	V	75.9	Confident	73.6	Confident	90 Å²	90	60.8 Å²	60.8	55%	0.545	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	121.2	-178.7	-178.3	0	0	0	0	109.2	S63 F64 T65	S63-V71 VanDerWaalsContact CB-CG1 3.42Å; S63-V71 WeakPolarHBondContact OG-CG1 3.4Å; F64-V71 CarbonylContact O-C 3.49Å; F64-V71 WeakPolarHBondContact O-CA 3.23Å; T65-V71 HydrophobicContact CG2-CG2 4.19Å
72	L	74.4	Confident	75.2	Confident	13 Å²	13	59.7 Å²	59.7	7%	0.068	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	155	179	-56.1	-178.7	0	0	0	110.4	S63 F64 T70 Q76 D83 D89	S63-L72 CarbonylContact C-O 3.51Å; S63-L72 VanDerWaalsContact CA-O 3.29Å; S63-L72 WeakPolarHBondContact CA-O 3.44Å; S63-L72 VanDerWaalsContact CB-O 3.25Å; S63-L72 WeakPolarHBondContact CB-O 3.28Å; F64-L72 HydrophobicContact CB-CB 4.4Å; F64-L72 HydrophobicContact CD1-CD1 4.32Å; F64-L72 PolarHBondContact N-O 2.68Å; F64-L72 PolarHBondContact O-N 3.47Å; T70-L72 HydrophobicContact CG2-CD2 4.23Å; L72-Q76 HydrophobicContact CB-CB 4.22Å; L72-D83 HydrophobicContact CD1-CB 3.64Å; L72-D83 HydrophobicContact CD2-CB 3.98Å; L72-D83 HydrophobicContact CG-CB 4.49Å; L72-D89 HydrophobicContact CD1-CB 4.39Å
73	Q	76.3	Confident	76.5	Confident	119 Å²	119	59.8 Å²	59.8	56%	0.556	31%	0.314	S	S	*	.			trans	-68.8	156.8	168.1	-62.8	-60.1	-22.2	0	0	110.9	G75 Q76	Q73-G75 VanDerWaalsContact C-N 3.3Å; Q73-G75 PolarHBondContact O-N 3.28Å; Q73-Q76 HydrophobicContact CB-CG 4.31Å; Q73-Q76 WeakPolarHBondContact O-CB 3.22Å; Q73-Q76 PolarHBondContact O-N 3.4Å
74	L	73.9	Confident	77.3	Confident	9 Å²	9	58.3 Å²	58.3	5%	0.047	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-64.5	-34.8	-179.6	-83.8	165	0	0	0	112.3	L60 Q76 A77 L255 D256 L259	L60-L74 HydrophobicContact CB-CD2 4.24Å; L74-Q76 PolarHBondContact O-N 3.46Å; L74-A77 PolarHBondContact O-N 3.34Å; L74-L255 HydrophobicContact CB-CB 4.22Å; L74-L255 HydrophobicContact CD2-CB 4.22Å; L74-L255 HydrophobicContact CD2-CD1 4.3Å; L74-D256 WeakPolarHBondContact CB-OD1 3.47Å; L74-L259 HydrophobicContact CD1-CB 4.15Å; L74-L259 HydrophobicContact CD1-CD1 3.64Å; L74-L259 HydrophobicContact CD2-CD1 3.79Å; L74-L259 HydrophobicContact CG-CD1 4.33Å
75	G	73.4	Confident	77.4	Confident	8 Å²	8	61.2 Å²	61.2	8%	0.082	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-72.6	8	168.1	0	0	0	0	0	116.6	Q73 R174 D256	Q73-G75 VanDerWaalsContact C-N 3.3Å; Q73-G75 PolarHBondContact O-N 3.28Å; G75-R174 VanDerWaalsContact O-CZ 3.31Å; G75-R174 PolarHBondContact O-NH1 2.88Å; G75-R174 PolarHBondContact O-NH2 3.11Å; G75-D256 WeakPolarHBondContact CA-OD2 3.34Å; G75-D256 PolarHBondContact N-OD1 3.06Å; G75-D256 PolarHBondContact N-OD2 2.97Å
76	Q	80.4	Confident	77.3	Confident	69 Å²	69	64.2 Å²	64.2	32%	0.322	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-116.1	24.8	169.2	-65	178.8	-96.5	0	0	111.5	L72 Q73 L74 D83	L72-Q76 HydrophobicContact CB-CB 4.22Å; Q73-Q76 HydrophobicContact CB-CG 4.31Å; Q73-Q76 WeakPolarHBondContact O-CB 3.22Å; Q73-Q76 PolarHBondContact O-N 3.4Å; L74-Q76 PolarHBondContact O-N 3.46Å; Q76-D83 PolarHBondContact NE2-OD2 3.12Å
77	A	80.6	Confident	77.1	Confident	2 Å²	2	64.8 Å²	64.8	2%	0.017	35%	0.347	C	S	.	.	S	Bend	trans	-134	137.6	172.8	0	0	0	0	0	109.2	F64 L74 M93 L255	F64-A77 HydrophobicContact CB-CB 4.13Å; F64-A77 HydrophobicContact CD1-CB 4.48Å; F64-A77 HydrophobicContact CG-CB 4.16Å; L74-A77 PolarHBondContact O-N 3.34Å; A77-M93 HydrophobicContact CB-CE 3.96Å; A77-L255 HydrophobicContact CB-CD1 4.12Å
78	C	85.3	Confident	77.2	Confident	1 Å²	1	56 Å²	56	1%	0.007	31%	0.314	C	S	.	.	S	Bend	trans	67	45	-170.1	-49.2	0	0	0	0	113.8	E90 M93 C94 L97 Y102 S252	C78-E90 VanDerWaalsContact CA-OE1 3.23Å; C78-E90 WeakPolarHBondContact CA-OE1 3.27Å; C78-E90 VanDerWaalsContact CA-OE2 3.32Å; C78-E90 WeakPolarHBondContact CA-OE2 3.28Å; C78-E90 PolarHBondContact N-OE1 3.35Å; C78-M93 VanDerWaalsContact SG-CE 3.51Å; C78-C94 WeakPolarHBondContact CA-SG 3.44Å; C78-C94 HydrophobicContact CB-CB 3.8Å; C78-C94 WeakPolarHBondContact CB-SG 3.2Å; C78-C94 WeakPolarHBondContact SG-CA 3.27Å; C78-C94 WeakPolarHBondContact SG-CB 3.49Å; C78-C94 CovalentContact SG-SG 2.03Å; C78-C94 PolarHBondContact SG-SG 3.15Å; C78-L97 HydrophobicContact CB-CD1 4.23Å; C78-L97 VanDerWaalsContact SG-CD1 3.59Å; C78-Y102 HydrophobicContact CB-CD2 3.7Å; C78-Y102 HydrophobicContact CB-CE2 4.16Å; C78-Y102 HydrophobicContact CB-CG 4.31Å; C78-Y102 WeakPolarHBondContact O-CD2 3.5Å; C78-S252 WeakPolarHBondContact O-CB 3.36Å; C78-S252 PolarHBondContact O-OG 2.99Å
79	D	84.7	Confident	77.9	Confident	14 Å²	14	49.8 Å²	49.8	8%	0.075	28%	0.281	C	S	.	.	S	Bend	trans	-122.9	8.2	179.2	77.5	-5.6	0	0	0	115.8	H81 E90 R174	D79-H81 PolarHBondContact O-N 3.44Å; D79-H81 WeakPolarHBondContact OD1-CB 3.49Å; D79-H81 PolarHBondContact OD1-N 3.49Å; D79-E90 PolarHBondContact N-OE1 3.42Å; D79-E90 PolarHBondContact N-OE2 3.03Å; D79-R174 IonicContact OD2-NH1 3.49Å; D79-R174 PolarHBondContact OD2-NH1 3.14Å
80	F	83.7	Confident	78.7	Confident	42 Å²	42	48.4 Å²	48.4	18%	0.184	26%	0.26	C	S	.	.	S	Bend	trans	67	10.1	-176.6	-49.4	-86.3	0	0	0	115.5	E90 Y102 N104 W218 N250	F80-E90 WeakPolarHBondContact CA-OE2 3.5Å; F80-E90 PolarHBondContact N-OE2 3.11Å; F80-Y102 AromaticContact CD1-CE2 3.61Å; F80-Y102 HydrophobicContact CD1-CE2 3.61Å; F80-Y102 AromaticContact CD1-CZ 3.69Å; F80-Y102 WeakPolarHBondContact CD1-OH 2.9Å; F80-Y102 HydrophobicContact CD2-CE2 4.04Å; F80-Y102 HydrophobicContact CE1-CD1 4.49Å; F80-Y102 AromaticContact CE1-CD2 3.9Å; F80-Y102 HydrophobicContact CE1-CD2 3.9Å; F80-Y102 AromaticContact CE1-CE1 3.96Å; F80-Y102 HydrophobicContact CE1-CE1 3.96Å; F80-Y102 AromaticContact CE1-CE2 3.23Å; F80-Y102 HydrophobicContact CE1-CE2 3.23Å; F80-Y102 HydrophobicContact CE1-CG 4.48Å; F80-Y102 AromaticContact CE1-CZ 3.29Å; F80-Y102 WeakPolarHBondContact CE1-OH 3.04Å; F80-Y102 AromaticContact CE2-CD2 3.85Å; F80-Y102 HydrophobicContact CE2-CD2 3.85Å; F80-Y102 AromaticContact CE2-CE2 3.72Å; F80-Y102 HydrophobicContact CE2-CE2 3.72Å; F80-Y102 HydrophobicContact CG-CE2 4.01Å; F80-Y102 HydrophobicContact CZ-CD1 4.5Å; F80-Y102 AromaticContact CZ-CD2 3.49Å; F80-Y102 HydrophobicContact CZ-CD2 3.49Å; F80-Y102 VanDerWaalsContact CZ-CD2 3.49Å; F80-Y102 HydrophobicContact CZ-CE1 4.39Å; F80-Y102 AromaticContact CZ-CE2 3.3Å; F80-Y102 HydrophobicContact CZ-CE2 3.3Å; F80-Y102 HydrophobicContact CZ-CG 4.11Å; F80-Y102 AromaticContact CZ-CZ 3.82Å; F80-N104 HydrophobicContact CD1-CB 4.48Å; F80-N104 HydrophobicContact CE1-CB 3.8Å; F80-W218 HydrophobicContact CD2-CH2 4.12Å; F80-N250 HydrophobicContact CD1-CB 4.17Å; F80-N250 HydrophobicContact CD2-CB 3.69Å; F80-N250 HydrophobicContact CE1-CB 4.31Å; F80-N250 HydrophobicContact CE2-CB 3.85Å; F80-N250 VanDerWaalsContact CE2-O 3.26Å; F80-N250 WeakPolarHBondContact CE2-O 3.39Å; F80-N250 HydrophobicContact CG-CB 3.86Å; F80-N250 HydrophobicContact CZ-CB 4.15Å
81	H	81.3	Confident	78.7	Confident	105 Å²	105	47 Å²	47	49%	0.486	25%	0.254	S	S	.	.			trans	-94.6	143.3	166.8	-73.4	-145.9	0	0	0	110.3	D79 D83 E90	D79-H81 PolarHBondContact O-N 3.44Å; D79-H81 WeakPolarHBondContact OD1-CB 3.49Å; D79-H81 PolarHBondContact OD1-N 3.49Å; H81-D83 PolarHBondContact O-N 2.89Å; H81-E90 WeakPolarHBondContact O-CG 3.46Å
82	Q	80.1	Confident	78.4	Confident	139 Å²	139	49.2 Å²	49.2	65%	0.65	26%	0.258	S	S	*	.			trans	-97.8	72.3	-176.7	-161.4	-173.5	-7.9	0	0	111.2	G87	Q82-G87 VanDerWaalsContact NE2-N 3.2Å
83	D	81.9	Confident	78.5	Confident	74 Å²	74	50.2 Å²	50.2	40%	0.396	26%	0.263	S	S	.	.			trans	-78	-30.9	-177.5	-84.5	6	0	0	0	112	L72 Q76 H81 D89	L72-D83 HydrophobicContact CD1-CB 3.64Å; L72-D83 HydrophobicContact CD2-CB 3.98Å; L72-D83 HydrophobicContact CG-CB 4.49Å; Q76-D83 PolarHBondContact NE2-OD2 3.12Å; H81-D83 PolarHBondContact O-N 2.89Å; D83-D89 PolarHBondContact N-OD2 3.29Å
84	C	78.8	Confident	78.6	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.007	24%	0.237	C	C	.	.	S	Bend	trans	-84.7	137.2	170.8	-69.4	0	0	0	0	112.4	C66 Q86 G87 E88 D89	C66-C84 HydrophobicContact CB-CB 3.8Å; C66-C84 WeakPolarHBondContact CB-SG 3.48Å; C66-C84 VanDerWaalsContact SG-CA 3.53Å; C66-C84 WeakPolarHBondContact SG-CB 3.4Å; C66-C84 CovalentContact SG-SG 2.03Å; C66-C84 PolarHBondContact SG-SG 3.4Å; C84-Q86 PolarHBondContact O-N 3.22Å; C84-G87 PolarHBondContact O-N 2.83Å; C84-E88 HydrophobicContact CB-CG 3.51Å; C84-D89 HydrophobicContact CB-CB 4.37Å; C84-D89 WeakPolarHBondContact CB-OD2 3.18Å; C84-D89 PolarHBondContact N-OD2 3.43Å
85	A	73.7	Confident	78.5	Confident	83 Å²	83	51.6 Å²	51.6	69%	0.686	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-8.2	-175.9	0	0	0	0	0	116.8
86	Q	72.5	Confident	78.2	Confident	134 Å²	134	57.9 Å²	57.9	63%	0.626	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.4	8.1	172.1	-60.6	-167.8	32.8	0	0	113.8	C84 E88	C84-Q86 PolarHBondContact O-N 3.22Å; Q86-E88 PolarHBondContact O-N 2.86Å
87	G	73.8	Confident	78	Confident	15 Å²	15	55.5 Å²	55.5	16%	0.155	28%	0.277	C	S	.	.	S	Bend	trans	63.6	29.8	-178.7	0	0	0	0	0	113.6	Q82 C84 D89 E90 S91	Q82-G87 VanDerWaalsContact NE2-N 3.2Å; C84-G87 PolarHBondContact O-N 2.83Å; G87-D89 WeakPolarHBondContact CA-OD1 3.09Å; G87-E90 PolarHBondContact O-N 3.48Å; G87-S91 VanDerWaalsContact O-CB 3.31Å; G87-S91 WeakPolarHBondContact O-CB 3.21Å
88	E	79.8	Confident	77.6	Confident	9 Å²	9	58 Å²	58	4%	0.042	29%	0.293	C	S	.	.			trans	-78.7	-31.3	-174.3	58.2	-169	122.6	0	0	113.7	F64 C66 W67 C84 Q86 E90 S91	F64-E88 HydrophobicContact CE1-CG 4.28Å; C66-E88 VanDerWaalsContact CA-CD 3.47Å; C66-E88 WeakPolarHBondContact CA-OE1 3.28Å; C66-E88 WeakPolarHBondContact CA-OE2 3.39Å; C66-E88 HydrophobicContact CB-CG 4.46Å; C66-E88 VanDerWaalsContact CB-OE1 3.29Å; C66-E88 WeakPolarHBondContact CB-OE1 3.17Å; W67-E88 PolarHBondContact N-OE1 3.07Å; W67-E88 PolarHBondContact N-OE2 2.78Å; W67-E88 PolarHBondContact NE1-OE2 2.78Å; C84-E88 HydrophobicContact CB-CG 3.51Å; Q86-E88 PolarHBondContact O-N 2.86Å; E88-E90 VanDerWaalsContact C-N 3.32Å; E88-S91 WeakPolarHBondContact CA-OG 3.35Å; E88-S91 WeakPolarHBondContact O-CB 3.14Å; E88-S91 PolarHBondContact O-N 3.37Å; E88-S91 PolarHBondContact O-OG 2.97Å
89	D	83.8	Confident	77.1	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.321	C	S	.	.	I	π-helix	trans	-44.1	-56.1	160.2	39.7	4.4	0	0	0	110.5	F64 L72 D83 C84 G87 S91 C94	F64-D89 HydrophobicContact CD1-CB 4.25Å; F64-D89 VanDerWaalsContact CE1-CA 3.49Å; F64-D89 HydrophobicContact CE1-CB 3.86Å; L72-D89 HydrophobicContact CD1-CB 4.39Å; D83-D89 PolarHBondContact N-OD2 3.29Å; C84-D89 HydrophobicContact CB-CB 4.37Å; C84-D89 WeakPolarHBondContact CB-OD2 3.18Å; C84-D89 PolarHBondContact N-OD2 3.43Å; G87-D89 WeakPolarHBondContact CA-OD1 3.09Å; D89-S91 VanDerWaalsContact C-N 3.29Å; D89-S91 PolarHBondContact O-N 3.36Å; D89-C94 PolarHBondContact O-SG 2.83Å
90	E	85.6	Confident	76.6	Confident	23 Å²	23	62.2 Å²	62.2	11%	0.107	32%	0.32	C	S	.	.	I	π-helix	trans	-85.8	8.7	-173.6	-59.7	-47.6	106.9	0	0	114.9	C78 D79 F80 H81 G87 E88 Y102	C78-E90 VanDerWaalsContact CA-OE1 3.23Å; C78-E90 WeakPolarHBondContact CA-OE1 3.27Å; C78-E90 VanDerWaalsContact CA-OE2 3.32Å; C78-E90 WeakPolarHBondContact CA-OE2 3.28Å; C78-E90 PolarHBondContact N-OE1 3.35Å; D79-E90 PolarHBondContact N-OE1 3.42Å; D79-E90 PolarHBondContact N-OE2 3.03Å; F80-E90 WeakPolarHBondContact CA-OE2 3.5Å; F80-E90 PolarHBondContact N-OE2 3.11Å; H81-E90 WeakPolarHBondContact O-CG 3.46Å; G87-E90 PolarHBondContact O-N 3.48Å; E88-E90 VanDerWaalsContact C-N 3.32Å; E90-Y102 PolarHBondContact O-OH 2.94Å; E90-Y102 VanDerWaalsContact O-OH 3.11Å; E90-Y102 WeakPolarHBondContact OE2-CE2 3.38Å; E90-Y102 PolarHBondContact OE2-OH 3.22Å
91	S	74.1	Confident	76.5	Confident	38 Å²	38	60.4 Å²	60.4	27%	0.266	31%	0.312	S	S	.	.	I	π-helix	trans	-98.9	-130.1	-163.7	77.2	0	0	0	0	115.4	G87 E88 D89 M93 R95	G87-S91 VanDerWaalsContact O-CB 3.31Å; G87-S91 WeakPolarHBondContact O-CB 3.21Å; E88-S91 WeakPolarHBondContact CA-OG 3.35Å; E88-S91 WeakPolarHBondContact O-CB 3.14Å; E88-S91 PolarHBondContact O-N 3.37Å; E88-S91 PolarHBondContact O-OG 2.97Å; D89-S91 VanDerWaalsContact C-N 3.29Å; D89-S91 PolarHBondContact O-N 3.36Å; S91-M93 PolarHBondContact O-N 3.23Å; S91-M93 VanDerWaalsContact O-N 3.16Å; S91-R95 WeakPolarHBondContact O-CG 3.4Å; S91-R95 PolarHBondContact O-N 2.72Å
92	Q	68.1	Low	76.8	Confident	135 Å²	135	57.1 Å²	57.1	63%	0.631	30%	0.295	S	S	*	.	I	π-helix	trans	-67.8	-5.3	179.6	-56.3	-172.1	13.3	0	0	113.8	K96	Q92-K96 WeakPolarHBondContact O-CD 3.38Å; Q92-K96 WeakPolarHBondContact O-CE 3.45Å; Q92-K96 VanDerWaalsContact O-CG 3.28Å; Q92-K96 WeakPolarHBondContact O-CG 3.29Å; Q92-K96 PolarHBondContact O-NZ 2.84Å
93	M	77.2	Confident	77.1	Confident	35 Å²	35	50.6 Å²	50.6	17%	0.172	27%	0.266	C	S	.	.	I	π-helix	trans	-79.9	-56.8	174.9	-168.6	-83.1	-71.6	0	0	109.1	F64 A77 C78 S91 R95 K96 L97 L255	F64-M93 HydrophobicContact CD2-CE 3.93Å; F64-M93 HydrophobicContact CE2-CE 3.84Å; F64-M93 HydrophobicContact CE2-CG 4.2Å; A77-M93 HydrophobicContact CB-CE 3.96Å; C78-M93 VanDerWaalsContact SG-CE 3.51Å; S91-M93 PolarHBondContact O-N 3.23Å; S91-M93 VanDerWaalsContact O-N 3.16Å; M93-R95 VanDerWaalsContact C-N 3.3Å; M93-R95 PolarHBondContact O-N 3.45Å; M93-K96 WeakPolarHBondContact O-CB 3.07Å; M93-K96 PolarHBondContact O-N 3.06Å; M93-L97 HydrophobicContact SD-CD2 4.43Å; M93-L255 HydrophobicContact CE-CD1 3.88Å; M93-L255 HydrophobicContact SD-CD1 4.35Å
94	C	78.6	Confident	77.2	Confident	4 Å²	4	49.1 Å²	49.1	3%	0.027	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-57.5	-40	176.5	-49.7	0	0	0	0	113.2	C78 D89 K96 L97 Y102	C78-C94 WeakPolarHBondContact CA-SG 3.44Å; C78-C94 HydrophobicContact CB-CB 3.8Å; C78-C94 WeakPolarHBondContact CB-SG 3.2Å; C78-C94 WeakPolarHBondContact SG-CA 3.27Å; C78-C94 WeakPolarHBondContact SG-CB 3.49Å; C78-C94 CovalentContact SG-SG 2.03Å; C78-C94 PolarHBondContact SG-SG 3.15Å; D89-C94 PolarHBondContact O-SG 2.83Å; C94-K96 PolarHBondContact O-N 3.35Å; C94-L97 HydrophobicContact CB-CD1 4.38Å; C94-L97 VanDerWaalsContact O-CB 3.31Å; C94-L97 WeakPolarHBondContact O-CB 3.42Å; C94-L97 WeakPolarHBondContact O-CG 3.49Å; C94-L97 PolarHBondContact O-N 3.5Å; C94-Y102 HydrophobicContact CB-CD1 3.36Å; C94-Y102 HydrophobicContact CB-CD2 4.01Å; C94-Y102 HydrophobicContact CB-CE1 3.57Å; C94-Y102 HydrophobicContact CB-CE2 4.22Å; C94-Y102 HydrophobicContact CB-CG 3.58Å
95	R	71	Confident	77.5	Confident	153 Å²	153	49.1 Å²	49.1	58%	0.577	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-64.7	-4	175.4	-66.5	172.8	175.6	-105.8	-4.3	114.9	S91 M93 D107	S91-R95 WeakPolarHBondContact O-CG 3.4Å; S91-R95 PolarHBondContact O-N 2.72Å; M93-R95 VanDerWaalsContact C-N 3.3Å; M93-R95 PolarHBondContact O-N 3.45Å; R95-D107 IonicContact CZ-OD2 2.76Å; R95-D107 IonicContact NH1-OD2 3.01Å; R95-D107 PolarHBondContact NH1-OD2 3.36Å; R95-D107 IonicContact NH2-OD2 2.87Å
96	K	68.3	Low	78	Confident	140 Å²	140	48.4 Å²	48.4	61%	0.609	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-110.2	0.6	174.9	-66	168.6	-168.5	139.8	0	113.3	Q92 M93 C94	Q92-K96 WeakPolarHBondContact O-CD 3.38Å; Q92-K96 WeakPolarHBondContact O-CE 3.45Å; Q92-K96 VanDerWaalsContact O-CG 3.28Å; Q92-K96 WeakPolarHBondContact O-CG 3.29Å; Q92-K96 PolarHBondContact O-NZ 2.84Å; M93-K96 WeakPolarHBondContact O-CB 3.07Å; M93-K96 PolarHBondContact O-N 3.06Å; C94-K96 PolarHBondContact O-N 3.35Å
97	L	75.4	Confident	78.1	Confident	19 Å²	19	48 Å²	48	10%	0.099	24%	0.242	C	C	.	.	S	Bend	trans	-72.7	169.4	174.4	-59.9	178.5	0	0	0	110.9	M58 C78 M93 C94 F101 L255	M58-L97 HydrophobicContact CE-CD2 4Å; M58-L97 HydrophobicContact SD-CD2 3.75Å; C78-L97 HydrophobicContact CB-CD1 4.23Å; C78-L97 VanDerWaalsContact SG-CD1 3.59Å; M93-L97 HydrophobicContact SD-CD2 4.43Å; C94-L97 HydrophobicContact CB-CD1 4.38Å; C94-L97 VanDerWaalsContact O-CB 3.31Å; C94-L97 WeakPolarHBondContact O-CB 3.42Å; C94-L97 WeakPolarHBondContact O-CG 3.49Å; C94-L97 PolarHBondContact O-N 3.5Å; L97-F101 HydrophobicContact CB-CB 4.09Å; L97-F101 HydrophobicContact CB-CD1 4.04Å; L97-F101 HydrophobicContact CB-CG 4.07Å; L97-F101 HydrophobicContact CD1-CD1 3.47Å; L97-F101 VanDerWaalsContact CD1-CD1 3.47Å; L97-F101 HydrophobicContact CD1-CE1 3.6Å; L97-F101 HydrophobicContact CD1-CG 4.32Å; L97-F101 HydrophobicContact CD1-CZ 4.49Å; L97-F101 HydrophobicContact CG-CD1 4.35Å; L97-L255 HydrophobicContact CD1-CD2 3.83Å; L97-L255 HydrophobicContact CD2-CD2 3.82Å
98	P	73.3	Confident	78.5	Confident	54 Å²	54	48.3 Å²	48.3	35%	0.351	25%	0.245	S	C	.	.	S	Bend	trans	-52.6	143.2	176.1	-27.6	36.8	0	0	0	112.4	G100 F101	P98-G100 PolarHBondContact O-N 2.96Å; P98-F101 HydrophobicContact CB-CB 4.45Å; P98-F101 HydrophobicContact CG-CD2 4.35Å; P98-F101 WeakPolarHBondContact O-CB 3.24Å; P98-F101 PolarHBondContact O-N 3.29Å
99	V	74.1	Confident	78.4	Confident	98 Å²	98	52 Å²	52	59%	0.594	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	126.9	-173.4	-154.3	0	0	0	0	110.1	A160	V99-A160 VanDerWaalsContact O-CB 3.29Å; V99-A160 WeakPolarHBondContact O-CB 3.36Å
100	G	73.3	Confident	78.2	Confident	5 Å²	5	53.6 Å²	53.6	5%	0.052	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	-0.9	-175.7	0	0	0	0	0	115.4	P98 C110 F162	P98-G100 PolarHBondContact O-N 2.96Å; G100-C110 WeakPolarHBondContact CA-O 3.41Å; G100-C110 PolarHBondContact N-O 2.99Å; G100-F162 WeakPolarHBondContact O-CZ 3.39Å
101	F	82.6	Confident	77.8	Confident	5 Å²	5	53.8 Å²	53.8	2%	0.022	28%	0.281	C	S	.	.	S	Bend	trans	-73.1	-32.1	176.6	-170.3	-72.7	0	0	0	113	L97 P98 F162 S252 I253 L255 Y258	L97-F101 HydrophobicContact CB-CB 4.09Å; L97-F101 HydrophobicContact CB-CD1 4.04Å; L97-F101 HydrophobicContact CB-CG 4.07Å; L97-F101 HydrophobicContact CD1-CD1 3.47Å; L97-F101 VanDerWaalsContact CD1-CD1 3.47Å; L97-F101 HydrophobicContact CD1-CE1 3.6Å; L97-F101 HydrophobicContact CD1-CG 4.32Å; L97-F101 HydrophobicContact CD1-CZ 4.49Å; L97-F101 HydrophobicContact CG-CD1 4.35Å; P98-F101 HydrophobicContact CB-CB 4.45Å; P98-F101 HydrophobicContact CG-CD2 4.35Å; P98-F101 WeakPolarHBondContact O-CB 3.24Å; P98-F101 PolarHBondContact O-N 3.29Å; F101-F162 HydrophobicContact CB-CE1 4.31Å; F101-S252 CarbonylContact O-C 3.55Å; F101-S252 VanDerWaalsContact O-CA 3.23Å; F101-S252 WeakPolarHBondContact O-CA 3.25Å; F101-I253 HydrophobicContact CD1-CB 4.44Å; F101-I253 HydrophobicContact CE1-CB 4.27Å; F101-I253 WeakPolarHBondContact CE1-O 3.28Å; F101-I253 HydrophobicContact CE2-CB 4.38Å; F101-I253 HydrophobicContact CE2-CG2 4.39Å; F101-I253 HydrophobicContact CZ-CB 4.22Å; F101-I253 HydrophobicContact CZ-CG2 4.32Å; F101-I253 WeakPolarHBondContact CZ-O 3.4Å; F101-I253 PolarHBondContact O-N 2.84Å; F101-L255 HydrophobicContact CE1-CD2 3.92Å; F101-L255 HydrophobicContact CE1-CG 4.33Å; F101-L255 HydrophobicContact CZ-CD2 3.86Å; F101-L255 HydrophobicContact CZ-CG 4.44Å; F101-Y258 HydrophobicContact CD2-CE2 4.31Å; F101-Y258 AromaticContact CE2-CD2 3.56Å; F101-Y258 HydrophobicContact CE2-CD2 3.56Å; F101-Y258 AromaticContact CE2-CE2 3.4Å; F101-Y258 HydrophobicContact CE2-CE2 3.4Å; F101-Y258 HydrophobicContact CZ-CD2 4.04Å; F101-Y258 HydrophobicContact CZ-CE2 4.07Å
102	Y	86.6	Confident	78.2	Confident	35 Å²	35	52.4 Å²	52.4	14%	0.137	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	122.2	178.6	173.6	-97.4	0	0	0	107.8	C78 F80 E90 C94 I251	C78-Y102 HydrophobicContact CB-CD2 3.7Å; C78-Y102 HydrophobicContact CB-CE2 4.16Å; C78-Y102 HydrophobicContact CB-CG 4.31Å; C78-Y102 WeakPolarHBondContact O-CD2 3.5Å; F80-Y102 AromaticContact CD1-CE2 3.61Å; F80-Y102 HydrophobicContact CD1-CE2 3.61Å; F80-Y102 AromaticContact CD1-CZ 3.69Å; F80-Y102 WeakPolarHBondContact CD1-OH 2.9Å; F80-Y102 HydrophobicContact CD2-CE2 4.04Å; F80-Y102 HydrophobicContact CE1-CD1 4.49Å; F80-Y102 AromaticContact CE1-CD2 3.9Å; F80-Y102 HydrophobicContact CE1-CD2 3.9Å; F80-Y102 AromaticContact CE1-CE1 3.96Å; F80-Y102 HydrophobicContact CE1-CE1 3.96Å; F80-Y102 AromaticContact CE1-CE2 3.23Å; F80-Y102 HydrophobicContact CE1-CE2 3.23Å; F80-Y102 HydrophobicContact CE1-CG 4.48Å; F80-Y102 AromaticContact CE1-CZ 3.29Å; F80-Y102 WeakPolarHBondContact CE1-OH 3.04Å; F80-Y102 AromaticContact CE2-CD2 3.85Å; F80-Y102 HydrophobicContact CE2-CD2 3.85Å; F80-Y102 AromaticContact CE2-CE2 3.72Å; F80-Y102 HydrophobicContact CE2-CE2 3.72Å; F80-Y102 HydrophobicContact CG-CE2 4.01Å; F80-Y102 HydrophobicContact CZ-CD1 4.5Å; F80-Y102 AromaticContact CZ-CD2 3.49Å; F80-Y102 HydrophobicContact CZ-CD2 3.49Å; F80-Y102 VanDerWaalsContact CZ-CD2 3.49Å; F80-Y102 HydrophobicContact CZ-CE1 4.39Å; F80-Y102 AromaticContact CZ-CE2 3.3Å; F80-Y102 HydrophobicContact CZ-CE2 3.3Å; F80-Y102 HydrophobicContact CZ-CG 4.11Å; F80-Y102 AromaticContact CZ-CZ 3.82Å; E90-Y102 PolarHBondContact O-OH 2.94Å; E90-Y102 VanDerWaalsContact O-OH 3.11Å; E90-Y102 WeakPolarHBondContact OE2-CE2 3.38Å; E90-Y102 PolarHBondContact OE2-OH 3.22Å; C94-Y102 HydrophobicContact CB-CD1 3.36Å; C94-Y102 HydrophobicContact CB-CD2 4.01Å; C94-Y102 HydrophobicContact CB-CE1 3.57Å; C94-Y102 HydrophobicContact CB-CE2 4.22Å; C94-Y102 HydrophobicContact CB-CG 3.58Å; Y102-I251 CarbonylContact C-O 3.52Å; Y102-I251 WeakPolarHBondContact CA-O 3.34Å
103	C	86.6	Confident	78.9	Confident	3 Å²	3	49.8 Å²	49.8	2%	0.02	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	121.6	-172.3	177.8	0	0	0	0	114.8	F105 C110 N250 I251	C103-F105 WeakPolarHBondContact SG-CD1 3.38Å; C103-F105 VanDerWaalsContact SG-CE1 3.58Å; C103-F105 PolarHBondContact SG-N 2.82Å; C103-C110 HydrophobicContact CB-CB 3.69Å; C103-C110 WeakPolarHBondContact CB-SG 3.37Å; C103-C110 WeakPolarHBondContact SG-CB 3.4Å; C103-C110 CovalentContact SG-SG 2.01Å; C103-C110 PolarHBondContact SG-SG 3.29Å; C103-N250 CarbonylContact O-C 3.5Å; C103-N250 WeakPolarHBondContact O-CA 3.47Å; C103-N250 PolarHBondContact O-N 3.24Å; C103-I251 PolarHBondContact N-O 2.82Å; C103-I251 PolarHBondContact O-N 2.03Å
104	N	84.3	Confident	78.8	Confident	43 Å²	43	50.8 Å²	50.8	23%	0.23	27%	0.267	C	S	.	.			trans	-108.7	19	168.2	64.8	-23.4	0	0	0	112.8	F80 E106 D249 N250	F80-N104 HydrophobicContact CD1-CB 4.48Å; F80-N104 HydrophobicContact CE1-CB 3.8Å; N104-E106 WeakPolarHBondContact ND2-CG 3.42Å; N104-E106 PolarHBondContact O-N 3.25Å; N104-D249 WeakPolarHBondContact CA-OD1 3.23Å; N104-N250 WeakPolarHBondContact CB-OD1 3.39Å
105	F	86.1	Confident	77.9	Confident	1 Å²	1	53 Å²	53	0%	0.004	29%	0.291	C	S	.	.	S	Bend	trans	53.4	-2.8	177	-64.3	-75.5	0	0	0	119.2	C103 D107 G108 C110 V126 H140 L142 I251	C103-F105 WeakPolarHBondContact SG-CD1 3.38Å; C103-F105 VanDerWaalsContact SG-CE1 3.58Å; C103-F105 PolarHBondContact SG-N 2.82Å; F105-D107 PolarHBondContact O-N 3.46Å; F105-G108 WeakPolarHBondContact CA-O 3.48Å; F105-G108 WeakPolarHBondContact O-CA 3.27Å; F105-G108 PolarHBondContact O-N 2.97Å; F105-C110 WeakPolarHBondContact CE1-SG 3.2Å; F105-V126 HydrophobicContact CB-CG1 4.19Å; F105-V126 HydrophobicContact CB-CG2 4.27Å; F105-V126 HydrophobicContact CD1-CG2 3.92Å; F105-V126 HydrophobicContact CG-CG2 4.43Å; F105-V126 VanDerWaalsContact O-CG1 3.32Å; F105-V126 WeakPolarHBondContact O-CG1 3.46Å; F105-H140 WeakPolarHBondContact CB-O 3.11Å; F105-L142 HydrophobicContact CD1-CB 3.94Å; F105-L142 HydrophobicContact CD1-CD1 4.47Å; F105-L142 HydrophobicContact CD2-CB 3.89Å; F105-L142 HydrophobicContact CE1-CB 3.76Å; F105-L142 HydrophobicContact CE1-CD1 4.19Å; F105-L142 HydrophobicContact CE1-CD2 3.75Å; F105-L142 HydrophobicContact CE1-CG 4.1Å; F105-L142 HydrophobicContact CE2-CB 3.71Å; F105-L142 HydrophobicContact CE2-CD2 4.37Å; F105-L142 HydrophobicContact CG-CB 4.01Å; F105-L142 HydrophobicContact CZ-CB 3.64Å; F105-L142 HydrophobicContact CZ-CD2 3.57Å; F105-L142 HydrophobicContact CZ-CG 4.14Å; F105-I251 HydrophobicContact CE2-CD1 3.65Å; F105-I251 HydrophobicContact CE2-CG1 4.1Å; F105-I251 HydrophobicContact CZ-CD1 3.59Å; F105-I251 HydrophobicContact CZ-CG1 4.49Å
106	E	82.5	Confident	77	Confident	67 Å²	67	53 Å²	53	31%	0.313	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-46.9	175.8	-68.4	-53.3	129.1	0	0	113.4	N104 G108 D139 H140	N104-E106 WeakPolarHBondContact ND2-CG 3.42Å; N104-E106 PolarHBondContact O-N 3.25Å; E106-G108 PolarHBondContact O-N 2.76Å; E106-G108 VanDerWaalsContact O-N 3.15Å; E106-D139 VanDerWaalsContact OE1-CA 3.26Å; E106-D139 WeakPolarHBondContact OE1-CA 3.44Å; E106-H140 IonicContact OE1-CG 2.7Å; E106-H140 PolarHBondContact OE1-N 3.25Å; E106-H140 IonicContact OE1-ND1 3.6Å; E106-H140 IonicContact OE2-CE1 3.64Å; E106-H140 IonicContact OE2-CG 3.7Å; E106-H140 IonicContact OE2-ND1 2.66Å; E106-H140 PolarHBondContact OE2-ND1 2.7Å
107	D	76	Confident	76.2	Confident	126 Å²	126	53 Å²	53	67%	0.674	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	23.8	176.3	-69	-62.8	0	0	0	112.2	R95 F105	R95-D107 IonicContact CZ-OD2 2.76Å; R95-D107 IonicContact NH1-OD2 3.01Å; R95-D107 PolarHBondContact NH1-OD2 3.36Å; R95-D107 IonicContact NH2-OD2 2.87Å; F105-D107 PolarHBondContact O-N 3.46Å
108	G	80.8	Confident	75	Confident	22 Å²	22	55.2 Å²	55.2	23%	0.227	33%	0.331	C	S	.	.	S	Bend	trans	86.3	-157.5	179.4	0	0	0	0	0	114.1	F105 E106 C110	F105-G108 WeakPolarHBondContact CA-O 3.48Å; F105-G108 WeakPolarHBondContact O-CA 3.27Å; F105-G108 PolarHBondContact O-N 2.97Å; E106-G108 PolarHBondContact O-N 2.76Å; E106-G108 VanDerWaalsContact O-N 3.15Å; G108-C110 PolarHBondContact O-N 3.43Å
109	F	79.6	Confident	74	Confident	87 Å²	87	58.2 Å²	58.2	38%	0.382	35%	0.35	S	S	.	.	S	Bend	trans	-62.3	-0.8	-172.2	-74.6	-88.2	0	0	0	116.3	G111 W112 W124 V126 L142	F109-G111 PolarHBondContact O-N 3.41Å; F109-W112 WeakPolarHBondContact O-CB 3.46Å; F109-W112 PolarHBondContact O-N 3.2Å; F109-W124 WeakPolarHBondContact CE1-O 3.36Å; F109-W124 VanDerWaalsContact CZ-O 3.3Å; F109-W124 WeakPolarHBondContact CZ-O 3.32Å; F109-V126 HydrophobicContact CD1-CG2 3.97Å; F109-V126 HydrophobicContact CD2-CG2 4.13Å; F109-V126 HydrophobicContact CE1-CG2 4.14Å; F109-V126 HydrophobicContact CE2-CG2 4.28Å; F109-V126 HydrophobicContact CG-CG2 3.98Å; F109-V126 HydrophobicContact CZ-CG2 4.3Å; F109-L142 HydrophobicContact CD1-CD1 3.78Å; F109-L142 HydrophobicContact CE1-CD1 3.61Å
110	C	79.3	Confident	73	Confident	32 Å²	32	61.4 Å²	61.4	22%	0.216	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.3	35.1	167.3	68.4	0	0	0	0	116.4	G100 C103 F105 G108 W112	G100-C110 WeakPolarHBondContact CA-O 3.41Å; G100-C110 PolarHBondContact N-O 2.99Å; C103-C110 HydrophobicContact CB-CB 3.69Å; C103-C110 WeakPolarHBondContact CB-SG 3.37Å; C103-C110 WeakPolarHBondContact SG-CB 3.4Å; C103-C110 CovalentContact SG-SG 2.01Å; C103-C110 PolarHBondContact SG-SG 3.29Å; F105-C110 WeakPolarHBondContact CE1-SG 3.2Å; G108-C110 PolarHBondContact O-N 3.43Å; C110-W112 VanDerWaalsContact SG-CD1 3.55Å
111	G	75.9	Confident	72.4	Confident	28 Å²	28	63.5 Å²	63.5	29%	0.289	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.4	-6.2	-179.3	0	0	0	0	0	115.9	F109	F109-G111 PolarHBondContact O-N 3.41Å
112	W	83.8	Confident	71.5	Confident	8 Å²	8	64.3 Å²	64.3	3%	0.03	38%	0.376	C	S	.	.			trans	-72.6	138.2	167	-68.3	74.6	0	0	0	110.3	F109 C110 V157 T158 S159 L232 M234 I251	F109-W112 WeakPolarHBondContact O-CB 3.46Å; F109-W112 PolarHBondContact O-N 3.2Å; C110-W112 VanDerWaalsContact SG-CD1 3.55Å; W112-V157 HydrophobicContact CB-CG2 4.08Å; W112-V157 HydrophobicContact CE3-CG1 4.42Å; W112-V157 HydrophobicContact CE3-CG2 4.33Å; W112-T158 CarbonylContact C-O 3.59Å; W112-T158 WeakPolarHBondContact CA-O 3.1Å; W112-T158 VanDerWaalsContact CE3-C 3.48Å; W112-S159 VanDerWaalsContact CE3-N 3.3Å; W112-L232 HydrophobicContact CH2-CB 3.81Å; W112-L232 HydrophobicContact CZ3-CB 4.43Å; W112-M234 HydrophobicContact CH2-CE 4.1Å; W112-M234 HydrophobicContact CH2-CG 4.16Å; W112-M234 HydrophobicContact CH2-SD 4.12Å; W112-M234 HydrophobicContact CZ3-CB 4.45Å; W112-M234 HydrophobicContact CZ3-CG 3.91Å; W112-M234 HydrophobicContact CZ3-SD 4.01Å; W112-I251 HydrophobicContact CZ2-CD1 3.82Å; W112-I251 HydrophobicContact CZ2-CG2 4.36Å
113	T	81.1	Confident	71	Confident	81 Å²	81	67 Å²	67	50%	0.497	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	147.6	-174.4	52.8	0	0	0	0	110.4	V157 T158	T113-V157 WeakPolarHBondContact O-CG2 3.27Å; T113-T158 PolarHBondContact N-O 2.88Å; T113-T158 PolarHBondContact O-N 2.86Å; T113-T158 PolarHBondContact O-OG1 3.11Å; T113-T158 PolarHBondContact OG1-O 3.1Å; T113-T158 PolarHBondContact OG1-OG1 3.2Å
114	Q	74.9	Confident	70.9	Confident	56 Å²	56	67 Å²	67	26%	0.262	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	142.6	177.8	-156.9	-173.8	-4.2	0	0	110.6	T116 Q123 T156	Q114-T116 PolarHBondContact O-N 3.34Å; Q114-Q123 VanDerWaalsContact OE1-CB 3.24Å; Q114-Q123 VanDerWaalsContact OE1-CG 3.28Å; Q114-T156 VanDerWaalsContact CG-O 3.29Å; Q114-T156 WeakPolarHBondContact CG-O 3.38Å
115	G	61.6	Low	70.8	Confident	51 Å²	51	68.3 Å²	68.3	53%	0.526	39%	0.394	S	S	.	.			trans	-60.2	132.2	174.8	0	0	0	0	0	112.6	L117	G115-L117 PolarHBondContact O-N 2.96Å
116	T	52	Low	70.7	Confident	152 Å²	152	69.7 Å²	69.7	93%	0.933	40%	0.403	S	S	*	.			trans	-79.5	78.8	-166.6	-33.6	0	0	0	0	113.5	Q114	Q114-T116 PolarHBondContact O-N 3.34Å
117	L	50.6	Low	70.7	Confident	141 Å²	141	73.9 Å²	73.9	74%	0.738	42%	0.416	S	S	*	.			trans	-135.4	139.1	179.4	-89.2	151	0	0	0	112.9	G115	G115-L117 PolarHBondContact O-N 2.96Å
118	S	49.4	Very low	70.7	Confident	65 Å²	65	70.7 Å²	70.7	46%	0.455	40%	0.401	S	S	.	.			trans	34.2	124.1	166.1	-159.5	0	0	0	0	119.8	H120 T121	S118-H120 PolarHBondContact O-N 2.87Å; S118-T121 PolarHBondContact O-N 2.79Å; S118-T121 PolarHBondContact O-OG1 3.47Å
119	P	52.1	Low	70	Confident	117 Å²	117	72 Å²	72	76%	0.76	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	22.3	178.4	35	-38.9	0	0	0	114.9
120	H	54.3	Low	68.8	Low	164 Å²	164	75.9 Å²	75.9	76%	0.759	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.1	-5.3	-176.5	-64.2	-21.2	0	0	0	114	S118	S118-H120 PolarHBondContact O-N 2.87Å
121	T	59.5	Low	67.2	Low	50 Å²	50	80.6 Å²	80.6	31%	0.307	44%	0.442	S	S	.	.	S	Bend	trans	-84.9	150.1	169.2	49.9	0	0	0	0	110.1	S118	S118-T121 PolarHBondContact O-N 2.79Å; S118-T121 PolarHBondContact O-OG1 3.47Å
122	P	65.4	Low	65.5	Low	21 Å²	21	83 Å²	83	14%	0.136	46%	0.459	C	S	.	.			trans	-69	141.8	175.3	32.3	-36.1	0	0	0	109.9	L144 V149 E153 W238	P122-L144 HydrophobicContact CB-CD1 4.15Å; P122-L144 HydrophobicContact CG-CD1 4.41Å; P122-V149 HydrophobicContact CB-CG2 3.99Å; P122-V149 HydrophobicContact CG-CG2 3.85Å; P122-E153 WeakPolarHBondContact CD-OE2 3.4Å; P122-W238 HydrophobicContact CG-CH2 3.58Å; P122-W238 HydrophobicContact CG-CZ2 3.27Å
123	Q	75.7	Confident	63.2	Low	91 Å²	91	93.3 Å²	93.3	43%	0.425	50%	0.498	S	S	.	.			trans	-111.9	148.1	-176.3	-66.9	-173	-26.6	0	0	110.7	Q114 Q125	Q114-Q123 VanDerWaalsContact OE1-CB 3.24Å; Q114-Q123 VanDerWaalsContact OE1-CG 3.28Å; Q123-Q125 HydrophobicContact CB-CG 4.43Å
124	W	83.3	Confident	61.1	Low	3 Å²	3	99.8 Å²	99.8	1%	0.011	52%	0.52	C	S	.	.			trans	-65.8	130.5	165.3	-73.2	98.2	0	0	0	108.5	F109 L142 L143 L144 A155 V157 A236 V246 F248	F109-W124 WeakPolarHBondContact CE1-O 3.36Å; F109-W124 VanDerWaalsContact CZ-O 3.3Å; F109-W124 WeakPolarHBondContact CZ-O 3.32Å; W124-L142 HydrophobicContact CB-CD1 4.12Å; W124-L142 HydrophobicContact CE3-CD2 4.39Å; W124-L142 HydrophobicContact CE3-CG 3.94Å; W124-L143 CarbonylContact C-O 3.59Å; W124-L143 WeakPolarHBondContact CA-O 3.46Å; W124-L144 HydrophobicContact CD2-CB 3.79Å; W124-L144 HydrophobicContact CE3-CB 3.56Å; W124-L144 HydrophobicContact CH2-CB 3.82Å; W124-L144 HydrophobicContact CH2-CD2 4.22Å; W124-L144 HydrophobicContact CZ2-CB 4.04Å; W124-L144 HydrophobicContact CZ2-CD2 3.79Å; W124-L144 HydrophobicContact CZ3-CB 3.58Å; W124-A155 PolarHBondContact NE1-O 3.35Å; W124-A155 VanDerWaalsContact NE1-O 3.1Å; W124-V157 HydrophobicContact CB-CB 4.3Å; W124-V157 HydrophobicContact CB-CG1 4.41Å; W124-V157 HydrophobicContact CD2-CG1 3.9Å; W124-V157 HydrophobicContact CG-CB 3.92Å; W124-V157 HydrophobicContact CG-CG1 3.75Å; W124-A236 HydrophobicContact CZ2-CB 3.97Å; W124-V246 HydrophobicContact CH2-CB 4.18Å; W124-V246 HydrophobicContact CH2-CG1 3.78Å; W124-V246 HydrophobicContact CZ3-CG1 4.35Å; W124-F248 AromaticContact CH2-CD2 3.73Å; W124-F248 HydrophobicContact CH2-CD2 3.73Å; W124-F248 AromaticContact CH2-CE2 3.69Å; W124-F248 HydrophobicContact CH2-CE2 3.69Å; W124-F248 HydrophobicContact CZ2-CE2 4.43Å; W124-F248 AromaticContact CZ3-CD2 3.87Å; W124-F248 HydrophobicContact CZ3-CD2 3.87Å; W124-F248 HydrophobicContact CZ3-CE2 4.3Å
125	Q	83.6	Confident	59.1	Low	71 Å²	71	106.2 Å²	106.2	33%	0.332	55%	0.55	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-140.2	124	-172.9	-67.8	-179.4	17.5	0	0	110.7	Q123 R127 L143	Q123-Q125 HydrophobicContact CB-CG 4.43Å; Q125-R127 HydrophobicContact CB-CG 4.37Å; Q125-R127 PolarHBondContact O-N 3.32Å; Q125-L143 PolarHBondContact N-O 2.85Å; Q125-L143 PolarHBondContact O-N 2.91Å
126	V	83.8	Confident	57.6	Low	31 Å²	31	110 Å²	110	19%	0.188	56%	0.558	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-68.9	120.1	170.2	176.2	0	0	0	0	109.3	F105 F109 H140 A141 L142	F105-V126 HydrophobicContact CB-CG1 4.19Å; F105-V126 HydrophobicContact CB-CG2 4.27Å; F105-V126 HydrophobicContact CD1-CG2 3.92Å; F105-V126 HydrophobicContact CG-CG2 4.43Å; F105-V126 VanDerWaalsContact O-CG1 3.32Å; F105-V126 WeakPolarHBondContact O-CG1 3.46Å; F109-V126 HydrophobicContact CD1-CG2 3.97Å; F109-V126 HydrophobicContact CD2-CG2 4.13Å; F109-V126 HydrophobicContact CE1-CG2 4.14Å; F109-V126 HydrophobicContact CE2-CG2 4.28Å; F109-V126 HydrophobicContact CG-CG2 3.98Å; F109-V126 HydrophobicContact CZ-CG2 4.3Å; V126-H140 HydrophobicContact CG1-CB 3.9Å; V126-A141 WeakPolarHBondContact CA-O 3.28Å; V126-L142 HydrophobicContact CG2-CD1 3.95Å
127	R	81.7	Confident	56.9	Low	154 Å²	154	110 Å²	110	58%	0.581	55%	0.548	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-155.6	153.7	-179.4	-64	-173.3	179.4	-156.1	0.3	111.5	Q125 A141 L143	Q125-R127 HydrophobicContact CB-CG 4.37Å; Q125-R127 PolarHBondContact O-N 3.32Å; R127-A141 PolarHBondContact N-O 3.06Å; R127-A141 VanDerWaalsContact N-O 3.14Å; R127-A141 PolarHBondContact O-N 3.18Å; R127-L143 HydrophobicContact CB-CD1 3.89Å; R127-L143 WeakPolarHBondContact O-CD1 3.45Å
128	T	76.2	Confident	56.9	Low	59 Å²	59	110.4 Å²	110.4	36%	0.362	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	128.3	172.3	-30.7	0	0	0	0	112.3	K130 Q138 D139 H140	T128-K130 PolarHBondContact O-N 3.33Å; T128-Q138 WeakPolarHBondContact CG2-O 3.38Å; T128-D139 WeakPolarHBondContact CA-O 3.14Å; T128-H140 PolarHBondContact OG1-CD2 3.33Å; T128-H140 PolarHBondContact OG1-NE2 2.89Å
129	L	66.8	Low	57.6	Low	50 Å²	50	112 Å²	112	26%	0.262	55%	0.549	S	S	.	.			trans	-90.5	96.6	177.6	-178.2	66.6	0	0	0	111.6	L143 L178	L129-L143 HydrophobicContact CB-CD2 4.36Å; L129-L143 HydrophobicContact CD1-CD2 3.91Å; L129-L178 HydrophobicContact CD2-CD2 3.43Å; L129-L178 VanDerWaalsContact CD2-CD2 3.43Å
130	K	54.4	Low	58.9	Low	168 Å²	168	108.8 Å²	108.8	73%	0.73	52%	0.524	S	S	*	.			trans	-79.1	125.8	-174.3	-63.9	-171	176	-173.3	0	114.2	T128	T128-K130 PolarHBondContact O-N 3.33Å
131	D	45.8	Very low	60.4	Low	131 Å²	131	101 Å²	101	70%	0.701	49%	0.488	S	S	*	.			trans	67.2	138.2	163.6	-80.1	-35.4	0	0	0	119.8	R180	D131-R180 PolarHBondContact O-NH1 3.04Å; D131-R180 PolarHBondContact O-NH2 3.09Å
132	A	39	Very low	61.8	Low	79 Å²	79	98.6 Å²	98.6	65%	0.653	47%	0.473	S	S	*	.			cis	-159	134.7	-6.1	0	0	0	0	0	112.4
133	R	36.7	Very low	62.8	Low	224 Å²	224	98.5 Å²	98.5	85%	0.845	47%	0.471	S	S	*	.	S	Bend	trans	-175.7	-11.8	138.9	-117.9	-163.1	-63.2	-175.6	4	117.1
134	F	36.9	Very low	63.3	Low	217 Å²	217	94.1 Å²	94.1	95%	0.952	45%	0.451	S	S	*	.	S	Bend	trans	-104.8	161.4	167.6	-81.4	-90	0	0	0	110.6
135	Q	32.5	Very low	63.4	Low	192 Å²	192	96.2 Å²	96.2	90%	0.897	47%	0.466	S	S	*	.			trans	-123.6	143	-170.3	-168.3	170.5	-3.3	0	0	109.7
136	D	30.4	Very low	63.4	Low	131 Å²	131	92.9 Å²	92.9	70%	0.701	45%	0.45	S	S	*	.	S	Bend	trans	82.2	150.8	-172.7	-129	-38	0	0	0	116.8
137	H	37.6	Very low	62.7	Low	152 Å²	152	94.5 Å²	94.5	70%	0.704	46%	0.46	S	S	*	.			trans	70.9	166.7	177.3	-52.8	-15	0	0	0	117.2
138	Q	49.3	Very low	61.6	Low	149 Å²	149	93.9 Å²	93.9	70%	0.696	47%	0.468	S	S	*	.			trans	-117.2	34.7	-157.7	-71.3	-162.6	-23	0	0	113.9	T128 H140	T128-Q138 WeakPolarHBondContact CG2-O 3.38Å; Q138-H140 PolarHBondContact O-CE1 3.26Å; Q138-H140 PolarHBondContact O-N 3.46Å; Q138-H140 PolarHBondContact O-ND1 2.72Å
139	D	63.7	Low	60.9	Low	99 Å²	99	92.3 Å²	92.3	53%	0.529	46%	0.459	S	S	.	.			trans	-55.7	122.3	-158	-49.2	-4.5	0	0	0	114.9	E106 T128	E106-D139 VanDerWaalsContact OE1-CA 3.26Å; E106-D139 WeakPolarHBondContact OE1-CA 3.44Å; T128-D139 WeakPolarHBondContact CA-O 3.14Å
140	H	79.4	Confident	60.2	Low	48 Å²	48	95 Å²	95	22%	0.222	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	82	-175.7	-71.4	93.1	0	0	0	112.2	F105 E106 V126 T128 Q138	F105-H140 WeakPolarHBondContact CB-O 3.11Å; E106-H140 IonicContact OE1-CG 2.7Å; E106-H140 PolarHBondContact OE1-N 3.25Å; E106-H140 IonicContact OE1-ND1 3.6Å; E106-H140 IonicContact OE2-CE1 3.64Å; E106-H140 IonicContact OE2-CG 3.7Å; E106-H140 IonicContact OE2-ND1 2.66Å; E106-H140 PolarHBondContact OE2-ND1 2.7Å; V126-H140 HydrophobicContact CG1-CB 3.9Å; T128-H140 PolarHBondContact OG1-CD2 3.33Å; T128-H140 PolarHBondContact OG1-NE2 2.89Å; Q138-H140 PolarHBondContact O-CE1 3.26Å; Q138-H140 PolarHBondContact O-N 3.46Å; Q138-H140 PolarHBondContact O-ND1 2.72Å
141	A	85.9	Confident	60.5	Low	1 Å²	1	89 Å²	89	1%	0.008	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	163.5	175.2	0	0	0	0	0	113.9	V126 R127 L143 W216 A247 D249	V126-A141 WeakPolarHBondContact CA-O 3.28Å; R127-A141 PolarHBondContact N-O 3.06Å; R127-A141 VanDerWaalsContact N-O 3.14Å; R127-A141 PolarHBondContact O-N 3.18Å; A141-L143 HydrophobicContact CB-CD1 4.16Å; A141-L143 HydrophobicContact CB-CG 4.26Å; A141-L143 WeakPolarHBondContact O-CD1 3.48Å; A141-L143 PolarHBondContact O-N 2.83Å; A141-W216 HydrophobicContact CB-CH2 3.7Å; A141-W216 HydrophobicContact CB-CZ2 3.92Å; A141-A247 HydrophobicContact CB-CB 4.21Å; A141-D249 HydrophobicContact CB-CB 4.3Å
142	L	88.9	Confident	61.1	Low	0 Å²	0	86.5 Å²	86.5	0%	0	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	103.4	167.7	-178.9	68	0	0	0	110.1	F105 F109 W124 V126 V157 M234 A247 F248	F105-L142 HydrophobicContact CD1-CB 3.94Å; F105-L142 HydrophobicContact CD1-CD1 4.47Å; F105-L142 HydrophobicContact CD2-CB 3.89Å; F105-L142 HydrophobicContact CE1-CB 3.76Å; F105-L142 HydrophobicContact CE1-CD1 4.19Å; F105-L142 HydrophobicContact CE1-CD2 3.75Å; F105-L142 HydrophobicContact CE1-CG 4.1Å; F105-L142 HydrophobicContact CE2-CB 3.71Å; F105-L142 HydrophobicContact CE2-CD2 4.37Å; F105-L142 HydrophobicContact CG-CB 4.01Å; F105-L142 HydrophobicContact CZ-CB 3.64Å; F105-L142 HydrophobicContact CZ-CD2 3.57Å; F105-L142 HydrophobicContact CZ-CG 4.14Å; F109-L142 HydrophobicContact CD1-CD1 3.78Å; F109-L142 HydrophobicContact CE1-CD1 3.61Å; W124-L142 HydrophobicContact CB-CD1 4.12Å; W124-L142 HydrophobicContact CE3-CD2 4.39Å; W124-L142 HydrophobicContact CE3-CG 3.94Å; V126-L142 HydrophobicContact CG2-CD1 3.95Å; L142-V157 HydrophobicContact CD2-CG1 4.11Å; L142-M234 HydrophobicContact CD2-SD 4.45Å; L142-A247 VanDerWaalsContact O-CA 3.31Å; L142-A247 WeakPolarHBondContact O-CA 3.29Å; L142-F248 PolarHBondContact N-O 3.19Å; L142-F248 PolarHBondContact O-N 3.4Å
143	L	86.9	Confident	62.9	Low	18 Å²	18	85 Å²	85	9%	0.094	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	149.5	-173.1	-54.7	107.8	0	0	0	114.6	W124 Q125 R127 L129 A141 I245 V246 A247	W124-L143 CarbonylContact C-O 3.59Å; W124-L143 WeakPolarHBondContact CA-O 3.46Å; Q125-L143 PolarHBondContact N-O 2.85Å; Q125-L143 PolarHBondContact O-N 2.91Å; R127-L143 HydrophobicContact CB-CD1 3.89Å; R127-L143 WeakPolarHBondContact O-CD1 3.45Å; L129-L143 HydrophobicContact CB-CD2 4.36Å; L129-L143 HydrophobicContact CD1-CD2 3.91Å; A141-L143 HydrophobicContact CB-CD1 4.16Å; A141-L143 HydrophobicContact CB-CG 4.26Å; A141-L143 WeakPolarHBondContact O-CD1 3.48Å; A141-L143 PolarHBondContact O-N 2.83Å; L143-I245 HydrophobicContact CB-CG2 4.37Å; L143-I245 HydrophobicContact CD2-CG2 3.56Å; L143-V246 CarbonylContact C-O 3.58Å; L143-V246 WeakPolarHBondContact CA-O 3.11Å; L143-A247 HydrophobicContact CD2-CB 3.82Å; L143-A247 HydrophobicContact CG-CB 3.87Å
144	L	87.1	Confident	65	Low	0 Å²	0	76.5 Å²	76.5	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	119.3	166.9	176.2	70.8	0	0	0	109	P122 W124 A155 A236 W238 I245 V246	P122-L144 HydrophobicContact CB-CD1 4.15Å; P122-L144 HydrophobicContact CG-CD1 4.41Å; W124-L144 HydrophobicContact CD2-CB 3.79Å; W124-L144 HydrophobicContact CE3-CB 3.56Å; W124-L144 HydrophobicContact CH2-CB 3.82Å; W124-L144 HydrophobicContact CH2-CD2 4.22Å; W124-L144 HydrophobicContact CZ2-CB 4.04Å; W124-L144 HydrophobicContact CZ2-CD2 3.79Å; W124-L144 HydrophobicContact CZ3-CB 3.58Å; L144-A155 HydrophobicContact CD1-CB 3.89Å; L144-A155 HydrophobicContact CD2-CB 4.02Å; L144-A236 HydrophobicContact CD2-CB 3.64Å; L144-W238 HydrophobicContact CD2-CE3 4.24Å; L144-W238 HydrophobicContact CD2-CH2 4.38Å; L144-W238 HydrophobicContact CD2-CZ3 3.7Å; L144-I245 WeakPolarHBondContact O-CA 3.3Å; L144-V246 HydrophobicContact CB-CB 4.49Å; L144-V246 PolarHBondContact N-O 3.15Å; L144-V246 PolarHBondContact O-N 2.89Å
145	S	84.9	Confident	67.2	Low	47 Å²	47	66.4 Å²	66.4	33%	0.329	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	127.5	170.6	-166.8	0	0	0	0	111	T147	S145-T147 PolarHBondContact OG-N 3.2Å; S145-T147 PolarHBondContact OG-OG1 2.97Å
146	T	82.8	Confident	69.7	Low	1 Å²	1	59.4 Å²	59.4	1%	0.006	34%	0.335	C	S	.	.			trans	-96.6	2.3	174.1	60.2	0	0	0	0	113	D148 L183 W238 A244	T146-D148 PolarHBondContact O-N 2.62Å; T146-L183 HydrophobicContact CG2-CD1 4.04Å; T146-W238 HydrophobicContact CG2-CB 4.17Å; T146-W238 HydrophobicContact CG2-CD2 3.64Å; T146-W238 HydrophobicContact CG2-CE3 3.9Å; T146-W238 HydrophobicContact CG2-CG 3.73Å; T146-A244 PolarHBondContact N-O 3Å; T146-A244 PolarHBondContact OG1-N 2.8Å; T146-A244 PolarHBondContact OG1-O 2.85Å
147	T	69.8	Low	72.4	Confident	64 Å²	64	53.2 Å²	53.2	39%	0.393	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-28.9	-169.4	52.8	0	0	0	0	115.3	S145 R243	S145-T147 PolarHBondContact OG-N 3.2Å; S145-T147 PolarHBondContact OG-OG1 2.97Å; T147-R243 HydrophobicContact CG2-CB 4.36Å
148	D	59.6	Low	74.8	Confident	141 Å²	141	47.2 Å²	47.2	75%	0.754	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	4.3	-161.8	-56.2	-11.7	0	0	0	112.7	T146	T146-D148 PolarHBondContact O-N 2.62Å
149	V	60.2	Low	76.6	Confident	27 Å²	27	40.4 Å²	40.4	16%	0.164	25%	0.245	C	C	.	.			trans	-111.6	121.1	-167.5	-177	0	0	0	0	111.2	P122 E153	P122-V149 HydrophobicContact CB-CG2 3.99Å; P122-V149 HydrophobicContact CG-CG2 3.85Å; V149-E153 HydrophobicContact CG1-CG 4.42Å; V149-E153 WeakPolarHBondContact CG1-OE1 3.43Å
150	P	52.7	Low	77.5	Confident	107 Å²	107	37.2 Å²	37.2	70%	0.695	23%	0.233	S	C	*	.	S	Bend	trans	-84	-7.2	-173.9	33	-36.1	0	0	0	114.7	Q240	P150-Q240 PolarHBondContact O-NE2 3.03Å
151	A	59.3	Low	77.6	Confident	40 Å²	40	38.7 Å²	38.7	33%	0.331	25%	0.245	S	C	.	.	S	Bend	trans	-110.5	174.2	-176.4	0	0	0	0	0	112.6	E153	A151-E153 HydrophobicContact CB-CG 4.34Å
152	S	59.2	Low	77.5	Confident	80 Å²	80	38.7 Å²	38.7	56%	0.559	25%	0.245	S	C	*	.			trans	-92.6	124.3	167.9	-173.3	0	0	0	0	108.8	W238	S152-W238 VanDerWaalsContact CA-O 3.24Å; S152-W238 WeakPolarHBondContact CA-O 3.4Å; S152-W238 WeakPolarHBondContact CB-O 3Å; S152-W238 PolarHBondContact OG-O 2.73Å
153	E	76	Confident	76.9	Confident	47 Å²	47	40.5 Å²	40.5	22%	0.22	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	176.1	-168.6	-77.4	180	-152.1	0	0	110.9	P122 V149 A151 W238	P122-E153 WeakPolarHBondContact CD-OE2 3.4Å; V149-E153 HydrophobicContact CG1-CG 4.42Å; V149-E153 WeakPolarHBondContact CG1-OE1 3.43Å; A151-E153 HydrophobicContact CB-CG 4.34Å; E153-W238 HydrophobicContact CB-CH2 4.18Å; E153-W238 HydrophobicContact CB-CZ2 3.35Å; E153-W238 PolarHBondContact N-O 3.35Å; E153-W238 PolarHBondContact O-N 3.44Å
154	S	81.9	Confident	76.5	Confident	46 Å²	46	41.7 Å²	41.7	32%	0.322	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	152.6	174.4	61.2	0	0	0	0	111.5	A236 W237	S154-A236 CarbonylContact C-O 3.47Å; S154-A236 WeakPolarHBondContact CA-O 3.32Å; S154-A236 WeakPolarHBondContact CB-O 3.34Å; S154-W237 VanDerWaalsContact CB-CD2 3.46Å
155	A	83.8	Confident	75.9	Confident	4 Å²	4	42.4 Å²	42.4	3%	0.033	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	120	175.2	0	0	0	0	0	110.1	W124 L144 A236 W238	W124-A155 PolarHBondContact NE1-O 3.35Å; W124-A155 VanDerWaalsContact NE1-O 3.1Å; L144-A155 HydrophobicContact CD1-CB 3.89Å; L144-A155 HydrophobicContact CD2-CB 4.02Å; A155-A236 PolarHBondContact N-O 3.13Å; A155-A236 PolarHBondContact O-N 3.17Å; A155-A236 VanDerWaalsContact O-N 3.11Å; A155-W238 HydrophobicContact CB-CH2 3.72Å; A155-W238 HydrophobicContact CB-CZ3 3.87Å
156	T	84.9	Confident	75.3	Confident	46 Å²	46	42.8 Å²	42.8	28%	0.282	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133.3	175.8	-57.8	0	0	0	0	110.5	Q114 T158 Q233 M234 V235	Q114-T156 VanDerWaalsContact CG-O 3.29Å; Q114-T156 WeakPolarHBondContact CG-O 3.38Å; T156-T158 HydrophobicContact CG2-CG2 3.79Å; T156-Q233 HydrophobicContact CG2-CB 4.2Å; T156-M234 WeakPolarHBondContact CA-O 3.5Å; T156-V235 HydrophobicContact CG2-CG2 3.88Å
157	V	87.1	Confident	74.1	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	139.3	168.6	63	0	0	0	0	109	W112 T113 W124 L142 Q233 M234	W112-V157 HydrophobicContact CB-CG2 4.08Å; W112-V157 HydrophobicContact CE3-CG1 4.42Å; W112-V157 HydrophobicContact CE3-CG2 4.33Å; T113-V157 WeakPolarHBondContact O-CG2 3.27Å; W124-V157 HydrophobicContact CB-CB 4.3Å; W124-V157 HydrophobicContact CB-CG1 4.41Å; W124-V157 HydrophobicContact CD2-CG1 3.9Å; W124-V157 HydrophobicContact CG-CB 3.92Å; W124-V157 HydrophobicContact CG-CG1 3.75Å; L142-V157 HydrophobicContact CD2-CG1 4.11Å; V157-Q233 WeakPolarHBondContact O-CA 3.29Å; V157-M234 HydrophobicContact CG1-CB 3.79Å; V157-M234 PolarHBondContact N-O 2.84Å; V157-M234 PolarHBondContact O-N 3.39Å
158	T	86.5	Confident	73.6	Confident	26 Å²	26	54.8 Å²	54.8	16%	0.16	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	133.4	-164.7	61.7	0	0	0	0	111.5	W112 T113 T156 L232 Q233	W112-T158 CarbonylContact C-O 3.59Å; W112-T158 WeakPolarHBondContact CA-O 3.1Å; W112-T158 VanDerWaalsContact CE3-C 3.48Å; T113-T158 PolarHBondContact N-O 2.88Å; T113-T158 PolarHBondContact O-N 2.86Å; T113-T158 PolarHBondContact O-OG1 3.11Å; T113-T158 PolarHBondContact OG1-O 3.1Å; T113-T158 PolarHBondContact OG1-OG1 3.2Å; T156-T158 HydrophobicContact CG2-CG2 3.79Å; T158-L232 CarbonylContact C-O 3.53Å; T158-L232 WeakPolarHBondContact CA-O 3.35Å; T158-Q233 HydrophobicContact CG2-CB 4.18Å; T158-Q233 HydrophobicContact CG2-CG 3.7Å
159	S	87.4	Confident	73.8	Confident	6 Å²	6	49.3 Å²	49.3	4%	0.042	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-67	171.1	176.7	75	0	0	0	0	111.9	W112 F162 L232	W112-S159 VanDerWaalsContact CE3-N 3.3Å; S159-F162 VanDerWaalsContact OG-CE2 3.24Å; S159-F162 WeakPolarHBondContact OG-CE2 3.43Å; S159-L232 PolarHBondContact N-O 3.18Å; S159-L232 PolarHBondContact OG-N 2.83Å
160	A	82.6	Confident	74.2	Confident	33 Å²	33	52.3 Å²	52.3	27%	0.273	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-63.2	163	159.6	0	0	0	0	0	111.2	V99 F162	V99-A160 VanDerWaalsContact O-CB 3.29Å; V99-A160 WeakPolarHBondContact O-CB 3.36Å; A160-F162 PolarHBondContact O-N 2.96Å
161	T	82.9	Confident	75.6	Confident	78 Å²	78	47.6 Å²	47.6	48%	0.479	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-78.9	116.4	174.9	-46.7	0	0	0	0	111	R229 F230 W231	T161-R229 HydrophobicContact CG2-CB 4.2Å; T161-F230 CarbonylContact C-O 3.51Å; T161-F230 WeakPolarHBondContact CA-O 3.48Å; T161-W231 HydrophobicContact CG2-CE3 4.32Å
162	F	83.3	Confident	77	Confident	1 Å²	1	48.4 Å²	48.4	0%	0.004	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-78.6	162.5	175	-57.1	-63.8	0	0	0	111.8	G100 F101 S159 A160 F230 L232 I253	G100-F162 WeakPolarHBondContact O-CZ 3.39Å; F101-F162 HydrophobicContact CB-CE1 4.31Å; S159-F162 VanDerWaalsContact OG-CE2 3.24Å; S159-F162 WeakPolarHBondContact OG-CE2 3.43Å; A160-F162 PolarHBondContact O-N 2.96Å; F162-F230 HydrophobicContact CB-CD1 4.19Å; F162-F230 HydrophobicContact CB-CE1 3.87Å; F162-F230 HydrophobicContact CB-CE2 4.31Å; F162-F230 HydrophobicContact CB-CZ 3.95Å; F162-F230 HydrophobicContact CD2-CD2 4.03Å; F162-F230 AromaticContact CD2-CE2 3.64Å; F162-F230 HydrophobicContact CD2-CE2 3.64Å; F162-F230 HydrophobicContact CD2-CZ 4.02Å; F162-F230 HydrophobicContact CE2-CE2 4.44Å; F162-F230 HydrophobicContact CG-CE2 4.33Å; F162-F230 HydrophobicContact CG-CZ 4.27Å; F162-F230 PolarHBondContact N-O 2.91Å; F162-L232 HydrophobicContact CE2-CD1 4.12Å; F162-L232 HydrophobicContact CE2-CG 4.15Å; F162-I253 HydrophobicContact CD1-CD1 4.05Å; F162-I253 HydrophobicContact CD2-CD1 3.84Å; F162-I253 HydrophobicContact CE1-CD1 3.87Å; F162-I253 HydrophobicContact CE2-CD1 3.62Å; F162-I253 HydrophobicContact CG-CD1 4.05Å; F162-I253 HydrophobicContact CZ-CD1 3.64Å
163	P	76.9	Confident	78.4	Confident	38 Å²	38	44.7 Å²	44.7	25%	0.247	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-62.6	172.6	170.1	-14	28.4	0	0	0	111.7	F230 Y258	P163-F230 WeakPolarHBondContact O-CD1 3.13Å; P163-F230 WeakPolarHBondContact O-CE1 3Å; P163-Y258 HydrophobicContact CB-CD1 3.83Å; P163-Y258 HydrophobicContact CB-CE1 3.66Å; P163-Y258 HydrophobicContact CG-CD1 3.94Å; P163-Y258 HydrophobicContact CG-CE1 3.8Å
164	A	76.6	Confident	79.1	Confident	43 Å²	43	44 Å²	44	36%	0.355	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-71.7	133.4	159	0	0	0	0	0	108.2	D228	A164-D228 WeakPolarHBondContact CA-O 3.39Å; A164-D228 VanDerWaalsContact CB-C 3.48Å
165	P	75.6	Confident	79.5	Confident	16 Å²	16	41.9 Å²	41.9	10%	0.104	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-73.7	168.3	172.3	31.9	-31.9	0	0	0	110.8	V226 F230 C257 Y258	P165-V226 WeakPolarHBondContact CD-O 3.49Å; P165-V226 HydrophobicContact CG-CB 3.72Å; P165-V226 HydrophobicContact CG-CG1 3.85Å; P165-V226 WeakPolarHBondContact CG-O 3.01Å; P165-F230 HydrophobicContact CG-CE1 4.43Å; P165-C257 CarbonylContact C-O 3.55Å; P165-C257 WeakPolarHBondContact CA-O 3.4Å; P165-C257 HydrophobicContact CB-CB 4.16Å; P165-C257 WeakPolarHBondContact CB-O 3Å; P165-Y258 HydrophobicContact CB-CE1 4.11Å
166	I	71.9	Confident	79.6	Confident	54 Å²	54	42.5 Å²	42.5	28%	0.277	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-79.5	136.7	-178.3	-65.2	163.9	0	0	0	109.4	S168 S169 C257 L259 T260	I166-S168 PolarHBondContact O-N 2.8Å; I166-S169 WeakPolarHBondContact O-CB 2.98Å; I166-S169 PolarHBondContact O-N 2.83Å; I166-S169 VanDerWaalsContact O-N 3.1Å; I166-S169 PolarHBondContact O-OG 3.43Å; I166-C257 PolarHBondContact N-O 3.22Å; I166-L259 VanDerWaalsContact CD1-N 3.32Å; I166-T260 HydrophobicContact CD1-CG2 3.92Å; I166-T260 HydrophobicContact CG2-CG2 3.99Å
167	K	58.1	Low	79.9	Confident	186 Å²	186	42.1 Å²	42.1	81%	0.809	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	136	173	-70.4	-170.1	172.7	-168.4	0	110.3	S169	K167-S169 PolarHBondContact O-N 3.23Å
168	S	58.1	Low	79.8	Confident	132 Å²	132	42.5 Å²	42.5	92%	0.923	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	26.4	-174.7	67.7	0	0	0	0	115.9	I166	I166-S168 PolarHBondContact O-N 2.8Å
169	S	64.3	Low	79.8	Confident	25 Å²	25	41.5 Å²	41.5	18%	0.175	24%	0.241	C	C	.	.			trans	-81	143.7	162.7	59.8	0	0	0	0	111	I166 K167 C171 D256	I166-S169 WeakPolarHBondContact O-CB 2.98Å; I166-S169 PolarHBondContact O-N 2.83Å; I166-S169 VanDerWaalsContact O-N 3.1Å; I166-S169 PolarHBondContact O-OG 3.43Å; K167-S169 PolarHBondContact O-N 3.23Å; S169-C171 PolarHBondContact O-N 2.81Å; S169-D256 VanDerWaalsContact CB-O 3.28Å; S169-D256 WeakPolarHBondContact CB-O 3.42Å
170	P	68.1	Low	79.5	Confident	90 Å²	90	46.3 Å²	46.3	58%	0.584	26%	0.258	S	S	*	.			trans	-75.4	72.3	174	32.2	-34.7	0	0	0	110	D256	P170-D256 HydrophobicContact CG-CB 3.9Å
171	C	82.6	Confident	79.5	Confident	8 Å²	8	46.1 Å²	46.1	5%	0.054	26%	0.26	C	S	.	.			trans	-82.4	121.7	-173.6	-173.1	0	0	0	0	111.5	S169 L223 C257	S169-C171 PolarHBondContact O-N 2.81Å; C171-L223 HydrophobicContact CB-CB 4.34Å; C171-L223 PolarHBondContact O-N 2.54Å; C171-C257 WeakPolarHBondContact CA-SG 3.39Å; C171-C257 HydrophobicContact CB-CB 3.84Å; C171-C257 WeakPolarHBondContact CB-SG 3.49Å; C171-C257 WeakPolarHBondContact SG-CB 3.47Å; C171-C257 CovalentContact SG-SG 2.03Å; C171-C257 PolarHBondContact SG-SG 2.79Å
172	E	88.4	Confident	79.4	Confident	58 Å²	58	44.7 Å²	44.7	27%	0.271	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	153.4	-177.5	-64.6	-172.2	160.6	0	0	112.6	R174 V220 L221 I253 S254	E172-R174 IonicContact OE2-CZ 3.6Å; E172-R174 VanDerWaalsContact OE2-CZ 3.28Å; E172-R174 IonicContact OE2-NE 3.38Å; E172-R174 PolarHBondContact OE2-NE 2.96Å; E172-R174 IonicContact OE2-NH2 2.66Å; E172-R174 PolarHBondContact OE2-NH2 3.15Å; E172-V220 HydrophobicContact CB-CG1 4.18Å; E172-V220 HydrophobicContact CG-CG1 4.19Å; E172-V220 WeakPolarHBondContact OE2-CG1 3.47Å; E172-L221 CarbonylContact C-O 3.57Å; E172-L221 WeakPolarHBondContact CA-O 3.39Å; E172-I253 CarbonylContact O-C 3.55Å; E172-I253 WeakPolarHBondContact O-CA 3.41Å; E172-S254 PolarHBondContact O-N 2.98Å
173	L	90.1	Very high	79.5	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	125.4	167.6	171.6	70.1	0	0	0	109.3	L189 V220 L221 L223 L232 I251 S252 I253	L173-L189 HydrophobicContact CD2-CD2 3.32Å; L173-V220 CarbonylContact O-C 3.52Å; L173-V220 WeakPolarHBondContact O-CA 3.09Å; L173-L221 HydrophobicContact CB-CB 4.46Å; L173-L221 HydrophobicContact CD2-CD1 4.38Å; L173-L221 PolarHBondContact N-O 2.84Å; L173-L221 PolarHBondContact O-N 3.43Å; L173-L223 HydrophobicContact CB-CD1 4.15Å; L173-L223 HydrophobicContact CB-CD2 4.08Å; L173-L223 HydrophobicContact CB-CG 4.15Å; L173-L232 HydrophobicContact CD1-CD1 3.75Å; L173-L232 HydrophobicContact CD2-CD1 3.66Å; L173-L232 HydrophobicContact CD2-CD2 4.29Å; L173-L232 HydrophobicContact CG-CD1 4.38Å; L173-I251 HydrophobicContact CD1-CG2 3.98Å; L173-S252 CarbonylContact C-O 3.58Å; L173-S252 WeakPolarHBondContact CA-O 3.29Å; L173-S252 WeakPolarHBondContact CD1-O 3.1Å; L173-I253 HydrophobicContact CD1-CG1 3.82Å
174	R	89.4	Confident	79.7	Confident	33 Å²	33	49.7 Å²	49.7	13%	0.125	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	140.1	180	-50	-168.8	176.8	153.6	11.6	109.4	G75 D79 E172 W218 M219 V220 I251 S252	G75-R174 VanDerWaalsContact O-CZ 3.31Å; G75-R174 PolarHBondContact O-NH1 2.88Å; G75-R174 PolarHBondContact O-NH2 3.11Å; D79-R174 IonicContact OD2-NH1 3.49Å; D79-R174 PolarHBondContact OD2-NH1 3.14Å; E172-R174 IonicContact OE2-CZ 3.6Å; E172-R174 VanDerWaalsContact OE2-CZ 3.28Å; E172-R174 IonicContact OE2-NE 3.38Å; E172-R174 PolarHBondContact OE2-NE 2.96Å; E172-R174 IonicContact OE2-NH2 2.66Å; E172-R174 PolarHBondContact OE2-NH2 3.15Å; R174-W218 HydrophobicContact CB-CH2 4.04Å; R174-W218 HydrophobicContact CB-CZ2 3.83Å; R174-M219 WeakPolarHBondContact CA-O 3.29Å; R174-V220 HydrophobicContact CG-CG1 4.22Å; R174-V220 HydrophobicContact CG-CG2 4.04Å; R174-I251 CarbonylContact O-C 3.56Å; R174-I251 WeakPolarHBondContact O-CA 3.19Å; R174-S252 PolarHBondContact N-O 2.89Å; R174-S252 PolarHBondContact O-N 3.29Å
175	M	90.3	Very high	80.1	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	152.4	175	57.9	-178	163.6	0	0	114.2	L189 M219 L221 M234 F248 N250 I251	M175-L189 HydrophobicContact CE-CB 4.47Å; M175-L189 HydrophobicContact CE-CD2 3.68Å; M175-L189 HydrophobicContact SD-CD2 4.38Å; M175-M219 HydrophobicContact CE-CE 3.53Å; M175-M219 HydrophobicContact CE-CG 4.36Å; M175-M219 HydrophobicContact CE-SD 3.7Å; M175-M219 HydrophobicContact CG-CG 3.81Å; M175-M219 HydrophobicContact CG-SD 4.22Å; M175-M219 PolarHBondContact N-O 2.8Å; M175-M219 WeakPolarHBondContact O-CG 3.4Å; M175-M219 PolarHBondContact O-N 3.19Å; M175-L221 HydrophobicContact CE-CD1 3.88Å; M175-M234 HydrophobicContact SD-CE 3.86Å; M175-F248 HydrophobicContact SD-CD1 4.22Å; M175-F248 HydrophobicContact SD-CE1 4.18Å; M175-N250 WeakPolarHBondContact CA-O 3.28Å; M175-I251 HydrophobicContact CB-CB 4.46Å; M175-I251 HydrophobicContact CB-CG1 4.06Å; M175-I251 HydrophobicContact CB-CG2 4.49Å
176	S	87.7	Confident	80.6	Confident	17 Å²	17	50.5 Å²	50.5	12%	0.119	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	139.8	162.8	-74.5	0	0	0	0	111.1	Q217 F248 D249	S176-Q217 WeakPolarHBondContact CA-O 3.2Å; S176-F248 WeakPolarHBondContact O-CA 3.35Å; S176-D249 WeakPolarHBondContact CA-O 3.29Å; S176-D249 WeakPolarHBondContact CB-O 3.36Å; S176-D249 PolarHBondContact N-O 3.21Å; S176-D249 PolarHBondContact O-N 3.07Å
177	W	89.3	Confident	81.4	Confident	39 Å²	39	47.9 Å²	47.9	15%	0.148	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	156.9	169.3	70.6	-79.9	0	0	0	112.9	I179 W205 V207 W216 Q217 M219 A247 F248	W177-I179 HydrophobicContact CE3-CD1 4.33Å; W177-I179 HydrophobicContact CE3-CG1 4.03Å; W177-I179 HydrophobicContact CZ3-CB 4.46Å; W177-I179 HydrophobicContact CZ3-CD1 3.89Å; W177-I179 HydrophobicContact CZ3-CG1 3.85Å; W177-W205 AromaticContact CD2-CH2 3.86Å; W177-W205 HydrophobicContact CD2-CH2 3.86Å; W177-W205 AromaticContact CD2-CZ2 3.79Å; W177-W205 HydrophobicContact CD2-CZ2 3.79Å; W177-W205 AromaticContact CE2-CZ2 3.58Å; W177-W205 HydrophobicContact CE3-CH2 4.02Å; W177-W205 HydrophobicContact CE3-CZ2 4.18Å; W177-W205 HydrophobicContact CG-CH2 4.23Å; W177-W205 HydrophobicContact CG-CZ2 4.29Å; W177-W205 HydrophobicContact CH2-CZ2 4.22Å; W177-W205 AromaticContact CZ2-CZ2 3.82Å; W177-W205 HydrophobicContact CZ2-CZ2 3.82Å; W177-W205 HydrophobicContact CZ3-CH2 4.45Å; W177-W205 HydrophobicContact CZ3-CZ2 4.38Å; W177-W205 AromaticContact NE1-CZ2 3.92Å; W177-V207 HydrophobicContact CH2-CB 4.46Å; W177-V207 HydrophobicContact CH2-CG1 4.4Å; W177-V207 HydrophobicContact CH2-CG2 4.15Å; W177-V207 HydrophobicContact CZ3-CG1 4.12Å; W177-V207 HydrophobicContact CZ3-CG2 4.49Å; W177-W216 VanDerWaalsContact C-CE3 3.42Å; W177-Q217 HydrophobicContact CD2-CB 4.3Å; W177-Q217 HydrophobicContact CG-CB 4.48Å; W177-Q217 HydrophobicContact CZ2-CB 4.04Å; W177-Q217 HydrophobicContact CZ2-CG 4.06Å; W177-Q217 PolarHBondContact N-O 2.89Å; W177-Q217 PolarHBondContact O-N 2.93Å; W177-M219 HydrophobicContact CG-SD 4.37Å; W177-M219 PolarHBondContact NE1-SD 3.46Å; W177-M219 VanDerWaalsContact NE1-SD 3.4Å; W177-A247 CarbonylContact C-O 3.26Å; W177-A247 WeakPolarHBondContact CA-O 3.25Å; W177-F248 HydrophobicContact CB-CD1 3.61Å; W177-F248 HydrophobicContact CB-CE1 3.6Å; W177-F248 HydrophobicContact CG-CE1 4.5Å
178	L	85.6	Confident	83	Confident	7 Å²	7	39.2 Å²	39.2	4%	0.037	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	136.1	-178.2	165.4	68.6	0	0	0	110	L129 R180 L215 W216 V246 A247	L129-L178 HydrophobicContact CD2-CD2 3.43Å; L129-L178 VanDerWaalsContact CD2-CD2 3.43Å; L178-R180 HydrophobicContact CD1-CB 4.45Å; L178-L215 VanDerWaalsContact CD1-O 3.3Å; L178-L215 WeakPolarHBondContact CD1-O 3.33Å; L178-W216 HydrophobicContact CB-CD2 3.79Å; L178-W216 HydrophobicContact CB-CE3 3.52Å; L178-W216 HydrophobicContact CB-CG 4.49Å; L178-W216 HydrophobicContact CB-CH2 4.15Å; L178-W216 HydrophobicContact CB-CZ2 4.4Å; L178-W216 HydrophobicContact CB-CZ3 3.71Å; L178-W216 HydrophobicContact CD2-CD2 4.28Å; L178-W216 HydrophobicContact CD2-CZ2 4.13Å; L178-V246 CarbonylContact O-C 3.54Å; L178-V246 WeakPolarHBondContact O-CA 3.01Å; L178-A247 HydrophobicContact CB-CB 4.29Å; L178-A247 HydrophobicContact CD2-CB 4.45Å; L178-A247 PolarHBondContact N-O 3.08Å; L178-A247 PolarHBondContact O-N 3.26Å
179	I	86.3	Confident	84.5	Confident	6 Å²	6	33 Å²	33	3%	0.031	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	122.3	162.2	-58.7	178.4	0	0	0	108.2	W177 L183 V187 V207 A209 G212 S214 A244 I245 V246	W177-I179 HydrophobicContact CE3-CD1 4.33Å; W177-I179 HydrophobicContact CE3-CG1 4.03Å; W177-I179 HydrophobicContact CZ3-CB 4.46Å; W177-I179 HydrophobicContact CZ3-CD1 3.89Å; W177-I179 HydrophobicContact CZ3-CG1 3.85Å; I179-L183 HydrophobicContact CD1-CD2 4.27Å; I179-L183 HydrophobicContact CG2-CB 4.37Å; I179-V187 HydrophobicContact CD1-CG2 3.88Å; I179-V207 HydrophobicContact CD1-CG1 3.7Å; I179-A209 HydrophobicContact CD1-CB 3.83Å; I179-A209 HydrophobicContact CG2-CB 4.45Å; I179-G212 CarbonylContact O-C 3.51Å; I179-G212 WeakPolarHBondContact O-CA 3.22Å; I179-S214 PolarHBondContact O-N 2.77Å; I179-S214 VanDerWaalsContact O-N 3.1Å; I179-A244 HydrophobicContact CG2-CB 4.15Å; I179-I245 WeakPolarHBondContact CA-O 3.37Å; I179-V246 HydrophobicContact CG1-CG1 4.29Å; I179-V246 HydrophobicContact CG1-CG2 4.29Å
180	R	82.5	Confident	85.6	Confident	106 Å²	106	32.8 Å²	32.8	40%	0.4	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	117.4	-180	-177.9	174.9	-175.1	170.9	2.4	109.4	D131 L178 A244 I245	D131-R180 PolarHBondContact O-NH1 3.04Å; D131-R180 PolarHBondContact O-NH2 3.09Å; L178-R180 HydrophobicContact CD1-CB 4.45Å; R180-A244 CarbonylContact O-C 3.57Å; R180-A244 VanDerWaalsContact O-CA 3.24Å; R180-A244 WeakPolarHBondContact O-CA 3.45Å; R180-I245 PolarHBondContact N-O 2.69Å; R180-I245 PolarHBondContact O-N 2.92Å
181	G	81.6	Confident	86.6	Confident	29 Å²	29	28.5 Å²	28.5	30%	0.299	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	98.8	-162.6	-178.4	0	0	0	0	0	114.5	G212	G181-G212 PolarHBondContact O-N 3.46Å
182	V	81.5	Confident	86.6	Confident	49 Å²	49	28.3 Å²	28.3	30%	0.297	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	92.5	-169.5	178	0	0	0	0	110	R184 Y210 E211 S242 R243	V182-R184 HydrophobicContact CG1-CG 4.37Å; V182-Y210 WeakPolarHBondContact CA-O 3.47Å; V182-Y210 WeakPolarHBondContact CG1-O 2.96Å; V182-E211 HydrophobicContact CG2-CG 4.04Å; V182-S242 CarbonylContact O-C 3.44Å; V182-S242 WeakPolarHBondContact O-CA 3.44Å; V182-R243 PolarHBondContact N-O 3.34Å; V182-R243 CarbonylContact O-C 3.6Å; V182-R243 PolarHBondContact O-N 3.21Å
183	L	83.9	Confident	86.2	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.005	13%	0.133	C	C	.	.			trans	-76.3	156.2	167	-165.1	66.4	0	0	0	108.5	T146 I179 V187 A209 Y210 W238 A244 V246	T146-L183 HydrophobicContact CG2-CD1 4.04Å; I179-L183 HydrophobicContact CD1-CD2 4.27Å; I179-L183 HydrophobicContact CG2-CB 4.37Å; L183-V187 HydrophobicContact CD2-CG2 3.76Å; L183-A209 CarbonylContact C-O 3.56Å; L183-A209 HydrophobicContact CB-CB 4.2Å; L183-A209 HydrophobicContact CD2-CB 4.22Å; L183-A209 VanDerWaalsContact O-O 3.09Å; L183-Y210 WeakPolarHBondContact O-CA 3.49Å; L183-W238 HydrophobicContact CD1-CB 3.94Å; L183-A244 HydrophobicContact CB-CB 3.81Å; L183-A244 HydrophobicContact CD1-CB 4.1Å; L183-V246 HydrophobicContact CD1-CG2 4.44Å; L183-V246 HydrophobicContact CD2-CG2 4.4Å
184	R	82.6	Confident	85	Confident	142 Å²	142	30.3 Å²	30.3	54%	0.536	15%	0.154	S	C	.	.			trans	-135.7	67.4	169.9	-67	-174	159.7	-139.9	-11.8	110	V182 G239 S242	V182-R184 HydrophobicContact CG1-CG 4.37Å; R184-G239 WeakPolarHBondContact O-CA 3.09Å; R184-G239 PolarHBondContact O-N 2.89Å; R184-S242 WeakPolarHBondContact CB-OG 3.37Å; R184-S242 PolarHBondContact N-OG 3.49Å
185	G	83.6	Confident	83.5	Confident	23 Å²	23	33.1 Å²	33.1	24%	0.237	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175	-145.7	-174.9	0	0	0	0	0	110.7	A209 W237	G185-A209 PolarHBondContact O-N 3.32Å; G185-W237 WeakPolarHBondContact CA-O 3.17Å
186	N	87.7	Confident	81.3	Confident	53 Å²	53	40 Å²	40	28%	0.283	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	158	179.2	64.3	4.9	0	0	0	112.4	V207 A236 W237	N186-V207 CarbonylContact C-O 3.56Å; N186-V207 WeakPolarHBondContact CA-O 3.05Å; N186-V207 WeakPolarHBondContact CB-O 3.21Å; N186-A236 WeakPolarHBondContact O-CA 3.49Å; N186-W237 PolarHBondContact N-O 2.04Å; N186-W237 VanDerWaalsContact N-O 3.12Å; N186-W237 PolarHBondContact O-N 3.05Å; N186-W237 WeakPolarHBondContact OD1-CB 3.16Å
187	V	88.8	Confident	79.4	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	136.6	162.8	-170.9	0	0	0	0	106.1	I179 L183 W205 H206 V207 A236 V246 F248	I179-V187 HydrophobicContact CD1-CG2 3.88Å; L183-V187 HydrophobicContact CD2-CG2 3.76Å; V187-W205 HydrophobicContact CB-CZ3 4.42Å; V187-W205 HydrophobicContact CG1-CZ3 4.18Å; V187-H206 CarbonylContact O-C 3.58Å; V187-H206 VanDerWaalsContact O-CA 3.3Å; V187-H206 WeakPolarHBondContact O-CA 3.28Å; V187-V207 HydrophobicContact CB-CG1 4Å; V187-V207 PolarHBondContact N-O 3.22Å; V187-V207 PolarHBondContact O-N 3.46Å; V187-A236 HydrophobicContact CG1-CB 4.4Å; V187-A236 HydrophobicContact CG2-CB 4.23Å; V187-V246 HydrophobicContact CG1-CG1 4.11Å; V187-V246 HydrophobicContact CG2-CG1 3.88Å; V187-V246 HydrophobicContact CG2-CG2 3.87Å; V187-F248 HydrophobicContact CG1-CE2 3.8Å; V187-F248 HydrophobicContact CG1-CZ 3.65Å
188	S	89.8	Confident	77.3	Confident	3 Å²	3	49.2 Å²	49.2	2%	0.021	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	147.3	-176.7	55.6	0	0	0	0	111.1	W205 V235	S188-W205 CarbonylContact C-O 3.51Å; S188-W205 VanDerWaalsContact CA-O 3.31Å; S188-W205 WeakPolarHBondContact CA-O 3.02Å; S188-V235 PolarHBondContact N-O 2.88Å; S188-V235 PolarHBondContact O-N 2.85Å; S188-V235 PolarHBondContact OG-O 2.83Å
189	L	89.9	Confident	75.7	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	124.2	167.9	-170.8	75.2	0	0	0	108.4	L173 M175 V204 W205 L221 L232 Q233 M234	L173-L189 HydrophobicContact CD2-CD2 3.32Å; M175-L189 HydrophobicContact CE-CB 4.47Å; M175-L189 HydrophobicContact CE-CD2 3.68Å; M175-L189 HydrophobicContact SD-CD2 4.38Å; L189-V204 HydrophobicContact CB-CG2 4.02Å; L189-V204 HydrophobicContact CD2-CG2 3.66Å; L189-V204 HydrophobicContact CG-CG2 3.83Å; L189-V204 WeakPolarHBondContact O-CG2 3.45Å; L189-V204 PolarHBondContact O-N 2.92Å; L189-W205 HydrophobicContact CB-CB 4.36Å; L189-W205 HydrophobicContact CB-CE3 4.34Å; L189-W205 PolarHBondContact N-O 2.98Å; L189-W205 PolarHBondContact O-N 3.21Å; L189-L221 HydrophobicContact CD2-CD1 4.35Å; L189-L232 HydrophobicContact CD1-CB 4.26Å; L189-L232 HydrophobicContact CD2-CD2 4.37Å; L189-Q233 WeakPolarHBondContact CA-O 3.42Å; L189-M234 HydrophobicContact CD1-CB 4.47Å; L189-M234 HydrophobicContact CD1-CE 4.21Å; L189-M234 HydrophobicContact CD1-CG 3.47Å; L189-M234 VanDerWaalsContact CD1-CG 3.47Å
190	V	88.3	Confident	74.3	Confident	21 Å²	21	64.3 Å²	64.3	13%	0.127	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	127.9	178.4	-176.1	0	0	0	0	108.6	V192 R202 M203 L232 Q233 V235	V190-V192 HydrophobicContact CG1-CG2 4.05Å; V190-R202 CarbonylContact C-O 3.06Å; V190-R202 WeakPolarHBondContact CA-O 3.28Å; V190-R202 WeakPolarHBondContact CG1-O 3.24Å; V190-M203 HydrophobicContact CG2-CE 4.42Å; V190-L232 CarbonylContact O-C 3.51Å; V190-L232 WeakPolarHBondContact O-CA 3.38Å; V190-Q233 HydrophobicContact CB-CB 4.4Å; V190-Q233 PolarHBondContact N-O 2.84Å; V190-Q233 PolarHBondContact O-N 2.76Å; V190-V235 HydrophobicContact CG2-CG2 4.35Å
191	L	89.3	Confident	73.7	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	128.6	169.2	-173.3	156.2	0	0	0	107.9	E193 G201 R202 V204 L223 V226 F230 L232	L191-E193 HydrophobicContact CD2-CG 3.5Å; L191-G201 CarbonylContact O-C 3.55Å; L191-G201 WeakPolarHBondContact O-CA 3.42Å; L191-R202 HydrophobicContact CB-CG 4.08Å; L191-R202 HydrophobicContact CD2-CG 4.41Å; L191-R202 PolarHBondContact N-O 3.31Å; L191-R202 PolarHBondContact O-N 2.79Å; L191-V204 HydrophobicContact CB-CG1 3.72Å; L191-V204 HydrophobicContact CB-CG2 4.43Å; L191-V204 HydrophobicContact CD1-CG1 4.42Å; L191-L223 HydrophobicContact CD1-CD1 4.35Å; L191-L223 HydrophobicContact CD1-CD2 3.93Å; L191-V226 HydrophobicContact CD1-CG2 3.82Å; L191-V226 HydrophobicContact CD2-CG2 4.22Å; L191-F230 HydrophobicContact CD1-CD2 3.73Å; L191-F230 HydrophobicContact CD1-CE2 4Å; L191-F230 HydrophobicContact CD1-CG 4.36Å; L191-F230 HydrophobicContact CD2-CB 3.81Å; L191-F230 HydrophobicContact CD2-CD2 4.2Å; L191-F230 HydrophobicContact CD2-CG 4.24Å; L191-F230 HydrophobicContact CG-CB 4.25Å; L191-F230 HydrophobicContact CG-CD2 3.73Å; L191-F230 HydrophobicContact CG-CE2 4.46Å; L191-F230 HydrophobicContact CG-CG 4.28Å; L191-L232 HydrophobicContact CB-CD2 3.99Å; L191-L232 HydrophobicContact CD1-CD2 4.12Å; L191-L232 HydrophobicContact CG-CD2 4.04Å
192	V	83.2	Confident	73.7	Confident	4 Å²	4	63 Å²	63	2%	0.024	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	123.4	-179.9	-169.5	0	0	0	0	109.4	V190 E199 F230 W231 Q233	V190-V192 HydrophobicContact CG1-CG2 4.05Å; V192-E199 HydrophobicContact CG1-CB 4.32Å; V192-F230 CarbonylContact O-C 3.6Å; V192-F230 WeakPolarHBondContact O-CA 3.47Å; V192-F230 WeakPolarHBondContact O-CB 3.34Å; V192-W231 HydrophobicContact CB-CD2 4.04Å; V192-W231 HydrophobicContact CB-CH2 4.32Å; V192-W231 HydrophobicContact CB-CZ2 3.77Å; V192-W231 HydrophobicContact CG1-CH2 3.75Å; V192-W231 HydrophobicContact CG1-CZ2 3.42Å; V192-W231 VanDerWaalsContact CG1-CZ2 3.42Å; V192-W231 HydrophobicContact CG1-CZ3 4.41Å; V192-W231 PolarHBondContact N-O 3.13Å; V192-W231 PolarHBondContact O-N 3.1Å; V192-Q233 HydrophobicContact CG2-CG 4.03Å
193	E	79.1	Confident	73.7	Confident	18 Å²	18	65.5 Å²	65.5	8%	0.084	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	138.7	-177.8	-59.6	173.4	-159.8	0	0	110.3	L191 K195 R202 F230	L191-E193 HydrophobicContact CD2-CG 3.5Å; E193-K195 HydrophobicContact CB-CD 4.39Å; E193-K195 HydrophobicContact CB-CG 4.5Å; E193-K195 PolarHBondContact O-N 2.85Å; E193-K195 VanDerWaalsContact OE2-CE 3.27Å; E193-K195 WeakPolarHBondContact OE2-CE 3.47Å; E193-K195 IonicContact OE2-NZ 2.64Å; E193-K195 PolarHBondContact OE2-NZ 3.1Å; E193-R202 IonicContact OE1-CZ 2.73Å; E193-R202 IonicContact OE1-NE 3.09Å; E193-R202 IonicContact OE1-NH1 2.69Å; E193-R202 PolarHBondContact OE1-NH1 3.12Å; E193-F230 HydrophobicContact CG-CB 4.47Å
194	N	64.2	Low	73.7	Confident	84 Å²	84	67.2 Å²	67.2	45%	0.449	36%	0.358	S	S	.	.			trans	-80.6	48.7	-172.1	-163.1	6.9	0	0	0	114	T196 R229 W231	N194-T196 VanDerWaalsContact C-N 3.31Å; N194-T196 PolarHBondContact O-N 3.36Å; N194-R229 HydrophobicContact CB-CB 4.36Å; N194-R229 WeakPolarHBondContact CB-O 3.26Å; N194-R229 PolarHBondContact N-O 3.19Å; N194-W231 HydrophobicContact CB-CZ3 4.16Å
195	K	58.1	Low	74	Confident	92 Å²	92	62.4 Å²	62.4	40%	0.4	34%	0.339	S	S	.	.			trans	-75.6	78.9	-176.3	-79.1	170.4	170.9	161.5	0	112	E193 G197 K198 S227	E193-K195 HydrophobicContact CB-CD 4.39Å; E193-K195 HydrophobicContact CB-CG 4.5Å; E193-K195 PolarHBondContact O-N 2.85Å; E193-K195 VanDerWaalsContact OE2-CE 3.27Å; E193-K195 WeakPolarHBondContact OE2-CE 3.47Å; E193-K195 IonicContact OE2-NZ 2.64Å; E193-K195 PolarHBondContact OE2-NZ 3.1Å; K195-G197 VanDerWaalsContact C-N 3.28Å; K195-G197 PolarHBondContact O-N 2.95Å; K195-K198 PolarHBondContact O-N 2.68Å; K195-S227 WeakPolarHBondContact CE-OG 3.24Å; K195-S227 PolarHBondContact NZ-OG 2.02Å
196	T	44.7	Very low	74.2	Confident	146 Å²	146	66.8 Å²	66.8	90%	0.896	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.4	36.1	159.9	57	0	0	0	0	117.2	N194	N194-T196 VanDerWaalsContact C-N 3.31Å; N194-T196 PolarHBondContact O-N 3.36Å
197	G	47.1	Very low	73.9	Confident	75 Å²	75	65.8 Å²	65.8	77%	0.773	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	108.5	13.4	167.1	0	0	0	0	0	116.8	K195	K195-G197 VanDerWaalsContact C-N 3.28Å; K195-G197 PolarHBondContact O-N 2.95Å
198	K	45.8	Very low	73.2	Confident	174 Å²	174	69.1 Å²	69.1	76%	0.757	38%	0.377	S	S	*	.			trans	-129.7	121	160.4	-74.8	-172.6	177.8	179.9	0	110.9	K195 Q200	K195-K198 PolarHBondContact O-N 2.68Å; K198-Q200 VanDerWaalsContact C-N 3.29Å; K198-Q200 PolarHBondContact O-N 3.44Å
199	E	52.1	Low	71.9	Confident	163 Å²	163	69.4 Å²	69.4	76%	0.762	38%	0.379	S	S	*	.			trans	-72.5	78.4	177.4	-64.2	179.4	165.2	0	0	110.9	V192 G201	V192-E199 HydrophobicContact CG1-CB 4.32Å; E199-G201 PolarHBondContact O-N 2.64Å
200	Q	55.8	Low	70.5	Confident	167 Å²	167	77.3 Å²	77.3	78%	0.78	41%	0.41	S	S	*	.			trans	-90.6	74.4	177.3	-166.2	163.3	-6.5	0	0	110.2	K198	K198-Q200 VanDerWaalsContact C-N 3.29Å; K198-Q200 PolarHBondContact O-N 3.44Å
201	G	70.6	Confident	69.5	Low	38 Å²	38	84.1 Å²	84.1	39%	0.392	44%	0.441	S	S	.	.			trans	-67	135	177.5	0	0	0	0	0	113	L191 E199	L191-G201 CarbonylContact O-C 3.55Å; L191-G201 WeakPolarHBondContact O-CA 3.42Å; E199-G201 PolarHBondContact O-N 2.64Å
202	R	81.3	Confident	68.1	Low	69 Å²	69	84.8 Å²	84.8	26%	0.26	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	132.1	175.6	73.6	-169.2	-152.7	-176.7	19.1	110	V190 L191 E193 V204 L224	V190-R202 CarbonylContact C-O 3.06Å; V190-R202 WeakPolarHBondContact CA-O 3.28Å; V190-R202 WeakPolarHBondContact CG1-O 3.24Å; L191-R202 HydrophobicContact CB-CG 4.08Å; L191-R202 HydrophobicContact CD2-CG 4.41Å; L191-R202 PolarHBondContact N-O 3.31Å; L191-R202 PolarHBondContact O-N 2.79Å; E193-R202 IonicContact OE1-CZ 2.73Å; E193-R202 IonicContact OE1-NE 3.09Å; E193-R202 IonicContact OE1-NH1 2.69Å; E193-R202 PolarHBondContact OE1-NH1 3.12Å; R202-V204 HydrophobicContact CG-CG1 4.21Å; R202-V204 PolarHBondContact O-N 2.77Å; R202-L224 PolarHBondContact NH1-O 3.44Å; R202-L224 PolarHBondContact NH2-O 3.22Å
203	M	81.4	Confident	67.1	Low	102 Å²	102	90.9 Å²	90.9	50%	0.502	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	116.7	177.8	-170.2	170.2	-71.3	0	0	109.2	V190 H206	V190-M203 HydrophobicContact CG2-CE 4.42Å; M203-H206 HydrophobicContact CG-CB 4.39Å; M203-H206 HydrophobicContact SD-CB 3.69Å; M203-H206 VanDerWaalsContact SD-CD2 3.56Å
204	V	85.3	Confident	66.6	Low	36 Å²	36	92.9 Å²	92.9	22%	0.218	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-20.2	-178.9	-66.8	0	0	0	0	112.7	L189 L191 R202 L221	L189-V204 HydrophobicContact CB-CG2 4.02Å; L189-V204 HydrophobicContact CD2-CG2 3.66Å; L189-V204 HydrophobicContact CG-CG2 3.83Å; L189-V204 WeakPolarHBondContact O-CG2 3.45Å; L189-V204 PolarHBondContact O-N 2.92Å; L191-V204 HydrophobicContact CB-CG1 3.72Å; L191-V204 HydrophobicContact CB-CG2 4.43Å; L191-V204 HydrophobicContact CD1-CG1 4.42Å; R202-V204 HydrophobicContact CG-CG1 4.21Å; R202-V204 PolarHBondContact O-N 2.77Å; V204-L221 HydrophobicContact CG2-CD1 4.36Å
205	W	88.1	Confident	67.1	Low	41 Å²	41	93.9 Å²	93.9	16%	0.155	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	151	171.4	172.2	84.4	0	0	0	111.3	W177 V187 S188 L189 V207 M219 L221 F248	W177-W205 AromaticContact CD2-CH2 3.86Å; W177-W205 HydrophobicContact CD2-CH2 3.86Å; W177-W205 AromaticContact CD2-CZ2 3.79Å; W177-W205 HydrophobicContact CD2-CZ2 3.79Å; W177-W205 AromaticContact CE2-CZ2 3.58Å; W177-W205 HydrophobicContact CE3-CH2 4.02Å; W177-W205 HydrophobicContact CE3-CZ2 4.18Å; W177-W205 HydrophobicContact CG-CH2 4.23Å; W177-W205 HydrophobicContact CG-CZ2 4.29Å; W177-W205 HydrophobicContact CH2-CZ2 4.22Å; W177-W205 AromaticContact CZ2-CZ2 3.82Å; W177-W205 HydrophobicContact CZ2-CZ2 3.82Å; W177-W205 HydrophobicContact CZ3-CH2 4.45Å; W177-W205 HydrophobicContact CZ3-CZ2 4.38Å; W177-W205 AromaticContact NE1-CZ2 3.92Å; V187-W205 HydrophobicContact CB-CZ3 4.42Å; V187-W205 HydrophobicContact CG1-CZ3 4.18Å; S188-W205 CarbonylContact C-O 3.51Å; S188-W205 VanDerWaalsContact CA-O 3.31Å; S188-W205 WeakPolarHBondContact CA-O 3.02Å; L189-W205 HydrophobicContact CB-CB 4.36Å; L189-W205 HydrophobicContact CB-CE3 4.34Å; L189-W205 PolarHBondContact N-O 2.98Å; L189-W205 PolarHBondContact O-N 3.21Å; W205-V207 HydrophobicContact CH2-CB 4.05Å; W205-V207 HydrophobicContact CH2-CG1 3.42Å; W205-V207 VanDerWaalsContact CH2-CG1 3.42Å; W205-V207 HydrophobicContact CZ2-CB 3.81Å; W205-V207 HydrophobicContact CZ2-CG1 3.71Å; W205-V207 HydrophobicContact CZ3-CG1 4.24Å; W205-M219 HydrophobicContact CB-CE 4.09Å; W205-M219 HydrophobicContact CD2-CE 4.06Å; W205-M219 HydrophobicContact CD2-SD 4.21Å; W205-M219 HydrophobicContact CG-CE 3.6Å; W205-M219 HydrophobicContact CG-SD 4.35Å; W205-M219 HydrophobicContact CZ2-SD 4.3Å; W205-L221 HydrophobicContact CB-CD1 3.84Å; W205-L221 HydrophobicContact CB-CD2 4.4Å; W205-F248 HydrophobicContact CZ3-CE1 4.18Å; W205-F248 AromaticContact CZ3-CZ 4Å; W205-F248 HydrophobicContact CZ3-CZ 4Å
206	H	86.9	Confident	68.1	Low	116 Å²	116	94.2 Å²	94.2	54%	0.537	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	154.8	166.8	67	79	0	0	0	113.3	V187 M203	V187-H206 CarbonylContact O-C 3.58Å; V187-H206 VanDerWaalsContact O-CA 3.3Å; V187-H206 WeakPolarHBondContact O-CA 3.28Å; M203-H206 HydrophobicContact CG-CB 4.39Å; M203-H206 HydrophobicContact SD-CB 3.69Å; M203-H206 VanDerWaalsContact SD-CD2 3.56Å
207	V	82.4	Confident	69.6	Low	32 Å²	32	91 Å²	91	19%	0.194	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	129.9	168.2	64.3	0	0	0	0	110	W177 I179 N186 V187 W205 A209	W177-V207 HydrophobicContact CH2-CB 4.46Å; W177-V207 HydrophobicContact CH2-CG1 4.4Å; W177-V207 HydrophobicContact CH2-CG2 4.15Å; W177-V207 HydrophobicContact CZ3-CG1 4.12Å; W177-V207 HydrophobicContact CZ3-CG2 4.49Å; I179-V207 HydrophobicContact CD1-CG1 3.7Å; N186-V207 CarbonylContact C-O 3.56Å; N186-V207 WeakPolarHBondContact CA-O 3.05Å; N186-V207 WeakPolarHBondContact CB-O 3.21Å; V187-V207 HydrophobicContact CB-CG1 4Å; V187-V207 PolarHBondContact N-O 3.22Å; V187-V207 PolarHBondContact O-N 3.46Å; W205-V207 HydrophobicContact CH2-CB 4.05Å; W205-V207 HydrophobicContact CH2-CG1 3.42Å; W205-V207 VanDerWaalsContact CH2-CG1 3.42Å; W205-V207 HydrophobicContact CZ2-CB 3.81Å; W205-V207 HydrophobicContact CZ2-CG1 3.71Å; W205-V207 HydrophobicContact CZ3-CG1 4.24Å; V207-A209 HydrophobicContact CG2-CB 4.38Å
208	A	74.5	Confident	71.2	Confident	69 Å²	69	92.4 Å²	92.4	57%	0.57	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101	90.9	172.3	0	0	0	0	0	108.6
209	A	62.5	Low	73	Confident	9 Å²	9	85.2 Å²	85.2	7%	0.074	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	136.1	-170.8	0	0	0	0	0	112.4	I179 L183 G185 V207	I179-A209 HydrophobicContact CD1-CB 3.83Å; I179-A209 HydrophobicContact CG2-CB 4.45Å; L183-A209 CarbonylContact C-O 3.56Å; L183-A209 HydrophobicContact CB-CB 4.2Å; L183-A209 HydrophobicContact CD2-CB 4.22Å; L183-A209 VanDerWaalsContact O-O 3.09Å; G185-A209 PolarHBondContact O-N 3.32Å; V207-A209 HydrophobicContact CG2-CB 4.38Å
210	Y	60.8	Low	74.4	Confident	167 Å²	167	80.5 Å²	80.5	66%	0.655	41%	0.407	S	S	*	.	S	Bend	trans	-114.4	-37.7	170.6	-74	-76.5	0	0	0	112.7	V182 L183	V182-Y210 WeakPolarHBondContact CA-O 3.47Å; V182-Y210 WeakPolarHBondContact CG1-O 2.96Å; L183-Y210 WeakPolarHBondContact O-CA 3.49Å
211	E	66.3	Low	75.9	Confident	165 Å²	165	73.8 Å²	73.8	77%	0.771	38%	0.376	S	S	*	.	S	Bend	trans	-131.1	127.4	164.9	-95.8	-178.6	148.9	0	0	108.8	V182	V182-E211 HydrophobicContact CG2-CG 4.04Å
212	G	60.4	Low	76.4	Confident	14 Å²	14	75.8 Å²	75.8	14%	0.144	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	126.5	-178.6	0	0	0	0	0	112.1	I179 G181 S214	I179-G212 CarbonylContact O-C 3.51Å; I179-G212 WeakPolarHBondContact O-CA 3.22Å; G181-G212 PolarHBondContact O-N 3.46Å; G212-S214 PolarHBondContact O-N 3.25Å; G212-S214 PolarHBondContact O-OG 2.97Å
213	L	62.7	Low	76.4	Confident	131 Å²	131	72.9 Å²	72.9	69%	0.686	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55	-16.9	-177.1	-65.6	173.5	0	0	0	114.4	L215	L213-L215 PolarHBondContact O-N 2.99Å; L213-L215 VanDerWaalsContact O-N 3.17Å
214	S	68.8	Low	76	Confident	61 Å²	61	73.6 Å²	73.6	43%	0.427	38%	0.377	S	S	.	.			trans	60.7	24.7	176	-53	0	0	0	0	113.9	I179 G212	I179-S214 PolarHBondContact O-N 2.77Å; I179-S214 VanDerWaalsContact O-N 3.1Å; G212-S214 PolarHBondContact O-N 3.25Å; G212-S214 PolarHBondContact O-OG 2.97Å
215	L	73.7	Confident	75.2	Confident	104 Å²	104	78.8 Å²	78.8	55%	0.545	40%	0.404	S	S	.	.	S	Bend	trans	-124.3	145.2	172.6	-64.6	172.4	0	0	0	108.2	L178 L213	L178-L215 VanDerWaalsContact CD1-O 3.3Å; L178-L215 WeakPolarHBondContact CD1-O 3.33Å; L213-L215 PolarHBondContact O-N 2.99Å; L213-L215 VanDerWaalsContact O-N 3.17Å
216	W	78.7	Confident	74.4	Confident	100 Å²	100	77.4 Å²	77.4	38%	0.379	40%	0.4	S	S	.	.			trans	-65.4	145.6	169.1	-77	112.8	0	0	0	110.5	A141 W177 L178 A247 D249	A141-W216 HydrophobicContact CB-CH2 3.7Å; A141-W216 HydrophobicContact CB-CZ2 3.92Å; W177-W216 VanDerWaalsContact C-CE3 3.42Å; L178-W216 HydrophobicContact CB-CD2 3.79Å; L178-W216 HydrophobicContact CB-CE3 3.52Å; L178-W216 HydrophobicContact CB-CG 4.49Å; L178-W216 HydrophobicContact CB-CH2 4.15Å; L178-W216 HydrophobicContact CB-CZ2 4.4Å; L178-W216 HydrophobicContact CB-CZ3 3.71Å; L178-W216 HydrophobicContact CD2-CD2 4.28Å; L178-W216 HydrophobicContact CD2-CZ2 4.13Å; W216-A247 HydrophobicContact CH2-CB 3.71Å; W216-A247 HydrophobicContact CZ2-CB 4.38Å; W216-A247 HydrophobicContact CZ3-CB 4.32Å; W216-D249 HydrophobicContact CH2-CB 3.73Å; W216-D249 HydrophobicContact CZ2-CB 4.45Å; W216-D249 HydrophobicContact CZ3-CB 3.94Å
217	Q	77.6	Confident	73.6	Confident	78 Å²	78	75.1 Å²	75.1	36%	0.364	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	122.8	177.4	-61.7	-70	-98.7	0	0	108.7	S176 W177	S176-Q217 WeakPolarHBondContact CA-O 3.2Å; W177-Q217 HydrophobicContact CD2-CB 4.3Å; W177-Q217 HydrophobicContact CG-CB 4.48Å; W177-Q217 HydrophobicContact CZ2-CB 4.04Å; W177-Q217 HydrophobicContact CZ2-CG 4.06Å; W177-Q217 PolarHBondContact N-O 2.89Å; W177-Q217 PolarHBondContact O-N 2.93Å
218	W	80.4	Confident	73.3	Confident	105 Å²	105	76.3 Å²	76.3	40%	0.398	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	145.3	170.7	-173.8	-116.4	0	0	0	109.9	F80 R174 N250	F80-W218 HydrophobicContact CD2-CH2 4.12Å; R174-W218 HydrophobicContact CB-CH2 4.04Å; R174-W218 HydrophobicContact CB-CZ2 3.83Å; W218-N250 HydrophobicContact CZ3-CB 3.93Å
219	M	82.1	Confident	73.6	Confident	23 Å²	23	79.3 Å²	79.3	11%	0.113	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	148.5	175.6	55.2	177.1	-67.8	0	0	112.9	R174 M175 W177 W205 L221	R174-M219 WeakPolarHBondContact CA-O 3.29Å; M175-M219 HydrophobicContact CE-CE 3.53Å; M175-M219 HydrophobicContact CE-CG 4.36Å; M175-M219 HydrophobicContact CE-SD 3.7Å; M175-M219 HydrophobicContact CG-CG 3.81Å; M175-M219 HydrophobicContact CG-SD 4.22Å; M175-M219 PolarHBondContact N-O 2.8Å; M175-M219 WeakPolarHBondContact O-CG 3.4Å; M175-M219 PolarHBondContact O-N 3.19Å; W177-M219 HydrophobicContact CG-SD 4.37Å; W177-M219 PolarHBondContact NE1-SD 3.46Å; W177-M219 VanDerWaalsContact NE1-SD 3.4Å; W205-M219 HydrophobicContact CB-CE 4.09Å; W205-M219 HydrophobicContact CD2-CE 4.06Å; W205-M219 HydrophobicContact CD2-SD 4.21Å; W205-M219 HydrophobicContact CG-CE 3.6Å; W205-M219 HydrophobicContact CG-SD 4.35Å; W205-M219 HydrophobicContact CZ2-SD 4.3Å; M219-L221 HydrophobicContact CE-CD1 3.59Å; M219-L221 HydrophobicContact CE-CD2 3.64Å; M219-L221 HydrophobicContact CE-CG 3.56Å
220	V	83.3	Confident	74.7	Confident	63 Å²	63	78.9 Å²	78.9	38%	0.382	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136.4	176.7	-178	0	0	0	0	108.1	E172 L173 R174	E172-V220 HydrophobicContact CB-CG1 4.18Å; E172-V220 HydrophobicContact CG-CG1 4.19Å; E172-V220 WeakPolarHBondContact OE2-CG1 3.47Å; L173-V220 CarbonylContact O-C 3.52Å; L173-V220 WeakPolarHBondContact O-CA 3.09Å; R174-V220 HydrophobicContact CG-CG1 4.22Å; R174-V220 HydrophobicContact CG-CG2 4.04Å
221	L	85.4	Confident	76	Confident	26 Å²	26	72.7 Å²	72.7	14%	0.136	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	123.5	-179.3	-64.7	174.8	0	0	0	110.7	E172 L173 M175 L189 V204 W205 M219	E172-L221 CarbonylContact C-O 3.57Å; E172-L221 WeakPolarHBondContact CA-O 3.39Å; L173-L221 HydrophobicContact CB-CB 4.46Å; L173-L221 HydrophobicContact CD2-CD1 4.38Å; L173-L221 PolarHBondContact N-O 2.84Å; L173-L221 PolarHBondContact O-N 3.43Å; M175-L221 HydrophobicContact CE-CD1 3.88Å; L189-L221 HydrophobicContact CD2-CD1 4.35Å; V204-L221 HydrophobicContact CG2-CD1 4.36Å; W205-L221 HydrophobicContact CB-CD1 3.84Å; W205-L221 HydrophobicContact CB-CD2 4.4Å; M219-L221 HydrophobicContact CE-CD1 3.59Å; M219-L221 HydrophobicContact CE-CD2 3.64Å; M219-L221 HydrophobicContact CE-CG 3.56Å
222	P	82.4	Confident	77.1	Confident	81 Å²	81	64.9 Å²	64.9	53%	0.526	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	129.8	171.9	29.8	-33.5	0	0	0	111.2	L224	P222-L224 HydrophobicContact CB-CD2 4.18Å; P222-L224 HydrophobicContact CB-CG 4.25Å; P222-L224 PolarHBondContact O-N 2.79Å
223	L	81.2	Confident	78.4	Confident	7 Å²	7	66.5 Å²	66.5	4%	0.037	34%	0.338	C	S	.	.			trans	-94	61.4	-179.9	-59.8	-170.2	0	0	0	111.5	C171 L173 L191 V226 F230	C171-L223 HydrophobicContact CB-CB 4.34Å; C171-L223 PolarHBondContact O-N 2.54Å; L173-L223 HydrophobicContact CB-CD1 4.15Å; L173-L223 HydrophobicContact CB-CD2 4.08Å; L173-L223 HydrophobicContact CB-CG 4.15Å; L191-L223 HydrophobicContact CD1-CD1 4.35Å; L191-L223 HydrophobicContact CD1-CD2 3.93Å; L223-V226 HydrophobicContact CB-CG2 4.21Å; L223-V226 WeakPolarHBondContact O-CG2 3.31Å; L223-F230 HydrophobicContact CD1-CE2 4.03Å; L223-F230 HydrophobicContact CD1-CZ 3.93Å
224	L	73.8	Confident	79.7	Confident	117 Å²	117	60.3 Å²	60.3	61%	0.613	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	152.7	-179.2	-54.2	178.9	0	0	0	112.8	R202 P222 V226	R202-L224 PolarHBondContact NH1-O 3.44Å; R202-L224 PolarHBondContact NH2-O 3.22Å; P222-L224 HydrophobicContact CB-CD2 4.18Å; P222-L224 HydrophobicContact CB-CG 4.25Å; P222-L224 PolarHBondContact O-N 2.79Å; L224-V226 PolarHBondContact O-N 3.12Å
225	D	67.9	Low	80.6	Confident	146 Å²	146	58.1 Å²	58.1	78%	0.781	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	14.3	170.3	-55	-36.5	0	0	0	118	S227	D225-S227 PolarHBondContact O-N 3.33Å
226	V	71.8	Confident	81.2	Confident	11 Å²	11	53.2 Å²	53.2	7%	0.067	26%	0.264	C	S	.	.			trans	-73.3	94.4	176.6	-175.8	0	0	0	0	109.4	P165 L191 L223 L224 F230	P165-V226 WeakPolarHBondContact CD-O 3.49Å; P165-V226 HydrophobicContact CG-CB 3.72Å; P165-V226 HydrophobicContact CG-CG1 3.85Å; P165-V226 WeakPolarHBondContact CG-O 3.01Å; L191-V226 HydrophobicContact CD1-CG2 3.82Å; L191-V226 HydrophobicContact CD2-CG2 4.22Å; L223-V226 HydrophobicContact CB-CG2 4.21Å; L223-V226 WeakPolarHBondContact O-CG2 3.31Å; L224-V226 PolarHBondContact O-N 3.12Å; V226-F230 HydrophobicContact CG1-CB 4.12Å; V226-F230 HydrophobicContact CG1-CD1 3.48Å; V226-F230 VanDerWaalsContact CG1-CD1 3.48Å; V226-F230 HydrophobicContact CG1-CE1 4.04Å; V226-F230 HydrophobicContact CG1-CG 3.93Å
227	S	69.8	Low	81.5	Confident	69 Å²	69	54.9 Å²	54.9	48%	0.483	27%	0.271	S	S	.	.			trans	-87.9	-3.8	-174.2	72.3	0	0	0	0	115	K195 D225	K195-S227 WeakPolarHBondContact CE-OG 3.24Å; K195-S227 PolarHBondContact NZ-OG 2.02Å; D225-S227 PolarHBondContact O-N 3.33Å
228	D	75.7	Confident	81.9	Confident	56 Å²	56	51.3 Å²	51.3	30%	0.299	25%	0.254	S	S	.	.	S	Bend	trans	-148.5	171.3	-162.7	-138.4	-40.9	0	0	0	111.3	A164 F230	A164-D228 WeakPolarHBondContact CA-O 3.39Å; A164-D228 VanDerWaalsContact CB-C 3.48Å; D228-F230 PolarHBondContact O-N 3.4Å
229	R	80.4	Confident	81.9	Confident	132 Å²	132	47.2 Å²	47.2	50%	0.498	24%	0.244	S	C	.	.			trans	-61.5	136.1	174.9	-69.4	-171.6	-178.4	-130	4.2	110.4	T161 N194	T161-R229 HydrophobicContact CG2-CB 4.2Å; N194-R229 HydrophobicContact CB-CB 4.36Å; N194-R229 WeakPolarHBondContact CB-O 3.26Å; N194-R229 PolarHBondContact N-O 3.19Å
230	F	85.3	Confident	81.7	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	165.4	-175.5	72.3	-81.4	0	0	0	113.4	T161 F162 P163 P165 L191 V192 E193 L223 V226 D228 L232 I253 Y258	T161-F230 CarbonylContact C-O 3.51Å; T161-F230 WeakPolarHBondContact CA-O 3.48Å; F162-F230 HydrophobicContact CB-CD1 4.19Å; F162-F230 HydrophobicContact CB-CE1 3.87Å; F162-F230 HydrophobicContact CB-CE2 4.31Å; F162-F230 HydrophobicContact CB-CZ 3.95Å; F162-F230 HydrophobicContact CD2-CD2 4.03Å; F162-F230 AromaticContact CD2-CE2 3.64Å; F162-F230 HydrophobicContact CD2-CE2 3.64Å; F162-F230 HydrophobicContact CD2-CZ 4.02Å; F162-F230 HydrophobicContact CE2-CE2 4.44Å; F162-F230 HydrophobicContact CG-CE2 4.33Å; F162-F230 HydrophobicContact CG-CZ 4.27Å; F162-F230 PolarHBondContact N-O 2.91Å; P163-F230 WeakPolarHBondContact O-CD1 3.13Å; P163-F230 WeakPolarHBondContact O-CE1 3Å; P165-F230 HydrophobicContact CG-CE1 4.43Å; L191-F230 HydrophobicContact CD1-CD2 3.73Å; L191-F230 HydrophobicContact CD1-CE2 4Å; L191-F230 HydrophobicContact CD1-CG 4.36Å; L191-F230 HydrophobicContact CD2-CB 3.81Å; L191-F230 HydrophobicContact CD2-CD2 4.2Å; L191-F230 HydrophobicContact CD2-CG 4.24Å; L191-F230 HydrophobicContact CG-CB 4.25Å; L191-F230 HydrophobicContact CG-CD2 3.73Å; L191-F230 HydrophobicContact CG-CE2 4.46Å; L191-F230 HydrophobicContact CG-CG 4.28Å; V192-F230 CarbonylContact O-C 3.6Å; V192-F230 WeakPolarHBondContact O-CA 3.47Å; V192-F230 WeakPolarHBondContact O-CB 3.34Å; E193-F230 HydrophobicContact CG-CB 4.47Å; L223-F230 HydrophobicContact CD1-CE2 4.03Å; L223-F230 HydrophobicContact CD1-CZ 3.93Å; V226-F230 HydrophobicContact CG1-CB 4.12Å; V226-F230 HydrophobicContact CG1-CD1 3.48Å; V226-F230 VanDerWaalsContact CG1-CD1 3.48Å; V226-F230 HydrophobicContact CG1-CE1 4.04Å; V226-F230 HydrophobicContact CG1-CG 3.93Å; D228-F230 PolarHBondContact O-N 3.4Å; F230-L232 HydrophobicContact CD2-CD2 4.38Å; F230-L232 HydrophobicContact CE2-CD2 4.3Å; F230-L232 HydrophobicContact CE2-CG 4.41Å; F230-I253 HydrophobicContact CZ-CD1 4.4Å; F230-Y258 WeakPolarHBondContact CE1-OH 2.98Å; F230-Y258 WeakPolarHBondContact CZ-OH 3.23Å
231	W	88	Confident	81.2	Confident	37 Å²	37	52.5 Å²	52.5	14%	0.14	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	163.3	164.8	63.9	94.3	0	0	0	110.2	T161 V192 N194	T161-W231 HydrophobicContact CG2-CE3 4.32Å; V192-W231 HydrophobicContact CB-CD2 4.04Å; V192-W231 HydrophobicContact CB-CH2 4.32Å; V192-W231 HydrophobicContact CB-CZ2 3.77Å; V192-W231 HydrophobicContact CG1-CH2 3.75Å; V192-W231 HydrophobicContact CG1-CZ2 3.42Å; V192-W231 VanDerWaalsContact CG1-CZ2 3.42Å; V192-W231 HydrophobicContact CG1-CZ3 4.41Å; V192-W231 PolarHBondContact N-O 3.13Å; V192-W231 PolarHBondContact O-N 3.1Å; N194-W231 HydrophobicContact CB-CZ3 4.16Å
232	L	89.2	Confident	80.9	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	143.5	179.4	-60.8	174.8	0	0	0	109.9	W112 T158 S159 F162 L173 L189 V190 L191 F230	W112-L232 HydrophobicContact CH2-CB 3.81Å; W112-L232 HydrophobicContact CZ3-CB 4.43Å; T158-L232 CarbonylContact C-O 3.53Å; T158-L232 WeakPolarHBondContact CA-O 3.35Å; S159-L232 PolarHBondContact N-O 3.18Å; S159-L232 PolarHBondContact OG-N 2.83Å; F162-L232 HydrophobicContact CE2-CD1 4.12Å; F162-L232 HydrophobicContact CE2-CG 4.15Å; L173-L232 HydrophobicContact CD1-CD1 3.75Å; L173-L232 HydrophobicContact CD2-CD1 3.66Å; L173-L232 HydrophobicContact CD2-CD2 4.29Å; L173-L232 HydrophobicContact CG-CD1 4.38Å; L189-L232 HydrophobicContact CD1-CB 4.26Å; L189-L232 HydrophobicContact CD2-CD2 4.37Å; V190-L232 CarbonylContact O-C 3.51Å; V190-L232 WeakPolarHBondContact O-CA 3.38Å; L191-L232 HydrophobicContact CB-CD2 3.99Å; L191-L232 HydrophobicContact CD1-CD2 4.12Å; L191-L232 HydrophobicContact CG-CD2 4.04Å; F230-L232 HydrophobicContact CD2-CD2 4.38Å; F230-L232 HydrophobicContact CE2-CD2 4.3Å; F230-L232 HydrophobicContact CE2-CG 4.41Å
233	Q	88.3	Confident	80.9	Confident	48 Å²	48	56.6 Å²	56.6	22%	0.224	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	115.7	177.2	-53.6	-167.3	-39.3	0	0	109.4	T156 V157 T158 L189 V190 V192 V235	T156-Q233 HydrophobicContact CG2-CB 4.2Å; V157-Q233 WeakPolarHBondContact O-CA 3.29Å; T158-Q233 HydrophobicContact CG2-CB 4.18Å; T158-Q233 HydrophobicContact CG2-CG 3.7Å; L189-Q233 WeakPolarHBondContact CA-O 3.42Å; V190-Q233 HydrophobicContact CB-CB 4.4Å; V190-Q233 PolarHBondContact N-O 2.84Å; V190-Q233 PolarHBondContact O-N 2.76Å; V192-Q233 HydrophobicContact CG2-CG 4.03Å; Q233-V235 HydrophobicContact CB-CG2 4.15Å
234	M	89.9	Confident	81.1	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	113	169.9	-72.2	174	168.5	0	0	108	W112 L142 T156 V157 M175 L189 F248 I251	W112-M234 HydrophobicContact CH2-CE 4.1Å; W112-M234 HydrophobicContact CH2-CG 4.16Å; W112-M234 HydrophobicContact CH2-SD 4.12Å; W112-M234 HydrophobicContact CZ3-CB 4.45Å; W112-M234 HydrophobicContact CZ3-CG 3.91Å; W112-M234 HydrophobicContact CZ3-SD 4.01Å; L142-M234 HydrophobicContact CD2-SD 4.45Å; T156-M234 WeakPolarHBondContact CA-O 3.5Å; V157-M234 HydrophobicContact CG1-CB 3.79Å; V157-M234 PolarHBondContact N-O 2.84Å; V157-M234 PolarHBondContact O-N 3.39Å; M175-M234 HydrophobicContact SD-CE 3.86Å; L189-M234 HydrophobicContact CD1-CB 4.47Å; L189-M234 HydrophobicContact CD1-CE 4.21Å; L189-M234 HydrophobicContact CD1-CG 3.47Å; L189-M234 VanDerWaalsContact CD1-CG 3.47Å; M234-F248 HydrophobicContact CB-CE2 4.3Å; M234-F248 HydrophobicContact CE-CB 3.97Å; M234-F248 HydrophobicContact CE-CD1 3.51Å; M234-F248 HydrophobicContact CE-CD2 4.06Å; M234-F248 HydrophobicContact CE-CE1 3.9Å; M234-F248 HydrophobicContact CE-CE2 4.4Å; M234-F248 HydrophobicContact CE-CG 3.59Å; M234-F248 HydrophobicContact CE-CZ 4.32Å; M234-F248 HydrophobicContact CG-CD2 4.39Å; M234-F248 HydrophobicContact CG-CE2 4.16Å; M234-F248 HydrophobicContact CG-CZ 4.37Å; M234-F248 HydrophobicContact SD-CB 4.02Å; M234-F248 HydrophobicContact SD-CD1 4.08Å; M234-F248 HydrophobicContact SD-CD2 3.47Å; M234-F248 WeakPolarHBondContact SD-CD2 3.41Å; M234-F248 HydrophobicContact SD-CE1 4.4Å; M234-F248 HydrophobicContact SD-CE2 3.83Å; M234-F248 HydrophobicContact SD-CG 3.6Å; M234-F248 HydrophobicContact SD-CZ 4.28Å; M234-I251 HydrophobicContact CE-CD1 3.51Å; M234-I251 HydrophobicContact CE-CG1 4.33Å; M234-I251 HydrophobicContact SD-CD1 4.38Å
235	V	87.4	Confident	81.7	Confident	15 Å²	15	53.1 Å²	53.1	9%	0.091	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	113	-174.1	-173.6	0	0	0	0	108.9	T156 S188 V190 Q233 W237	T156-V235 HydrophobicContact CG2-CG2 3.88Å; S188-V235 PolarHBondContact N-O 2.88Å; S188-V235 PolarHBondContact O-N 2.85Å; S188-V235 PolarHBondContact OG-O 2.83Å; V190-V235 HydrophobicContact CG2-CG2 4.35Å; Q233-V235 HydrophobicContact CB-CG2 4.15Å; V235-W237 VanDerWaalsContact CG1-NE1 3.3Å
236	A	87.4	Confident	82.7	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.008	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	134.7	172.4	0	0	0	0	0	110.7	W124 L144 S154 A155 N186 V187 W238	W124-A236 HydrophobicContact CZ2-CB 3.97Å; L144-A236 HydrophobicContact CD2-CB 3.64Å; S154-A236 CarbonylContact C-O 3.47Å; S154-A236 WeakPolarHBondContact CA-O 3.32Å; S154-A236 WeakPolarHBondContact CB-O 3.34Å; A155-A236 PolarHBondContact N-O 3.13Å; A155-A236 PolarHBondContact O-N 3.17Å; A155-A236 VanDerWaalsContact O-N 3.11Å; N186-A236 WeakPolarHBondContact O-CA 3.49Å; V187-A236 HydrophobicContact CG1-CB 4.4Å; V187-A236 HydrophobicContact CG2-CB 4.23Å; A236-W238 HydrophobicContact CB-CE3 4.42Å; A236-W238 HydrophobicContact CB-CZ3 4.3Å; A236-W238 WeakPolarHBondContact O-CZ3 3.07Å
237	W	85.1	Confident	83.5	Confident	134 Å²	134	45.7 Å²	45.7	51%	0.508	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	141.2	170.9	-64.6	77.7	0	0	0	109.8	S154 G185 N186 V235	S154-W237 VanDerWaalsContact CB-CD2 3.46Å; G185-W237 WeakPolarHBondContact CA-O 3.17Å; N186-W237 PolarHBondContact N-O 2.04Å; N186-W237 VanDerWaalsContact N-O 3.12Å; N186-W237 PolarHBondContact O-N 3.05Å; N186-W237 WeakPolarHBondContact OD1-CB 3.16Å; V235-W237 VanDerWaalsContact CG1-NE1 3.3Å
238	W	86	Confident	84.4	Confident	4 Å²	4	42.4 Å²	42.4	2%	0.015	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	140.7	176.5	60.2	89.4	0	0	0	113	P122 L144 T146 S152 E153 A155 L183 A236	P122-W238 HydrophobicContact CG-CH2 3.58Å; P122-W238 HydrophobicContact CG-CZ2 3.27Å; L144-W238 HydrophobicContact CD2-CE3 4.24Å; L144-W238 HydrophobicContact CD2-CH2 4.38Å; L144-W238 HydrophobicContact CD2-CZ3 3.7Å; T146-W238 HydrophobicContact CG2-CB 4.17Å; T146-W238 HydrophobicContact CG2-CD2 3.64Å; T146-W238 HydrophobicContact CG2-CE3 3.9Å; T146-W238 HydrophobicContact CG2-CG 3.73Å; S152-W238 VanDerWaalsContact CA-O 3.24Å; S152-W238 WeakPolarHBondContact CA-O 3.4Å; S152-W238 WeakPolarHBondContact CB-O 3Å; S152-W238 PolarHBondContact OG-O 2.73Å; E153-W238 HydrophobicContact CB-CH2 4.18Å; E153-W238 HydrophobicContact CB-CZ2 3.35Å; E153-W238 PolarHBondContact N-O 3.35Å; E153-W238 PolarHBondContact O-N 3.44Å; A155-W238 HydrophobicContact CB-CH2 3.72Å; A155-W238 HydrophobicContact CB-CZ3 3.87Å; L183-W238 HydrophobicContact CD1-CB 3.94Å; A236-W238 HydrophobicContact CB-CE3 4.42Å; A236-W238 HydrophobicContact CB-CZ3 4.3Å; A236-W238 WeakPolarHBondContact O-CZ3 3.07Å
239	G	79.8	Confident	85	Confident	19 Å²	19	40.4 Å²	40.4	20%	0.196	19%	0.191	C	C	.	.			trans	-80.9	160.5	172.2	0	0	0	0	0	112.8	R184 G241 S242	R184-G239 WeakPolarHBondContact O-CA 3.09Å; R184-G239 PolarHBondContact O-N 2.89Å; G239-G241 PolarHBondContact O-N 2.96Å; G239-S242 WeakPolarHBondContact O-CB 3.41Å; G239-S242 PolarHBondContact O-N 3.43Å; G239-S242 PolarHBondContact O-OG 3.42Å
240	Q	77.4	Confident	85.4	Confident	145 Å²	145	36.3 Å²	36.3	68%	0.678	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	133.2	177.3	-177.1	175.6	66.3	0	0	111.8	P150	P150-Q240 PolarHBondContact O-NE2 3.03Å
241	G	73.3	Confident	85.6	Confident	52 Å²	52	36.5 Å²	36.5	54%	0.536	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	10.1	-178.3	0	0	0	0	0	114.9	G239	G239-G241 PolarHBondContact O-N 2.96Å
242	S	79.8	Confident	85.7	Confident	7 Å²	7	34.8 Å²	34.8	5%	0.049	17%	0.173	C	C	.	.			trans	-61.2	144.4	163.5	-60.6	0	0	0	0	111	V182 R184 G239	V182-S242 CarbonylContact O-C 3.44Å; V182-S242 WeakPolarHBondContact O-CA 3.44Å; R184-S242 WeakPolarHBondContact CB-OG 3.37Å; R184-S242 PolarHBondContact N-OG 3.49Å; G239-S242 WeakPolarHBondContact O-CB 3.41Å; G239-S242 PolarHBondContact O-N 3.43Å; G239-S242 PolarHBondContact O-OG 3.42Å
243	R	82.4	Confident	85.6	Confident	185 Å²	185	34.7 Å²	34.7	70%	0.698	17%	0.173	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-147.4	69.2	172	-65	-170.7	-166.9	137.2	0.3	108.7	T147 V182	T147-R243 HydrophobicContact CG2-CB 4.36Å; V182-R243 PolarHBondContact N-O 3.34Å; V182-R243 CarbonylContact O-C 3.6Å; V182-R243 PolarHBondContact O-N 3.21Å
244	A	85.6	Confident	85.5	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.008	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	150.3	173.3	0	0	0	0	0	111.8	T146 I179 R180 L183	T146-A244 PolarHBondContact N-O 3Å; T146-A244 PolarHBondContact OG1-N 2.8Å; T146-A244 PolarHBondContact OG1-O 2.85Å; I179-A244 HydrophobicContact CG2-CB 4.15Å; R180-A244 CarbonylContact O-C 3.57Å; R180-A244 VanDerWaalsContact O-CA 3.24Å; R180-A244 WeakPolarHBondContact O-CA 3.45Å; L183-A244 HydrophobicContact CB-CB 3.81Å; L183-A244 HydrophobicContact CD1-CB 4.1Å
245	I	86.4	Confident	85.1	Confident	50 Å²	50	33 Å²	33	26%	0.256	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	123.5	160.4	-58.6	173.4	0	0	0	105.9	L143 L144 I179 R180	L143-I245 HydrophobicContact CB-CG2 4.37Å; L143-I245 HydrophobicContact CD2-CG2 3.56Å; L144-I245 WeakPolarHBondContact O-CA 3.3Å; I179-I245 WeakPolarHBondContact CA-O 3.37Å; R180-I245 PolarHBondContact N-O 2.69Å; R180-I245 PolarHBondContact O-N 2.92Å
246	V	88.3	Confident	84.5	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	137	166.4	-175.7	0	0	0	0	107	W124 L143 L144 L178 I179 L183 V187 F248	W124-V246 HydrophobicContact CH2-CB 4.18Å; W124-V246 HydrophobicContact CH2-CG1 3.78Å; W124-V246 HydrophobicContact CZ3-CG1 4.35Å; L143-V246 CarbonylContact C-O 3.58Å; L143-V246 WeakPolarHBondContact CA-O 3.11Å; L144-V246 HydrophobicContact CB-CB 4.49Å; L144-V246 PolarHBondContact N-O 3.15Å; L144-V246 PolarHBondContact O-N 2.89Å; L178-V246 CarbonylContact O-C 3.54Å; L178-V246 WeakPolarHBondContact O-CA 3.01Å; I179-V246 HydrophobicContact CG1-CG1 4.29Å; I179-V246 HydrophobicContact CG1-CG2 4.29Å; L183-V246 HydrophobicContact CD1-CG2 4.44Å; L183-V246 HydrophobicContact CD2-CG2 4.4Å; V187-V246 HydrophobicContact CG1-CG1 4.11Å; V187-V246 HydrophobicContact CG2-CG1 3.88Å; V187-V246 HydrophobicContact CG2-CG2 3.87Å; V246-F248 HydrophobicContact CG1-CE2 4.15Å
247	A	87.9	Confident	83.7	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	146.9	175.2	0	0	0	0	0	111.5	A141 L142 L143 W177 L178 W216	A141-A247 HydrophobicContact CB-CB 4.21Å; L142-A247 VanDerWaalsContact O-CA 3.31Å; L142-A247 WeakPolarHBondContact O-CA 3.29Å; L143-A247 HydrophobicContact CD2-CB 3.82Å; L143-A247 HydrophobicContact CG-CB 3.87Å; W177-A247 CarbonylContact C-O 3.26Å; W177-A247 WeakPolarHBondContact CA-O 3.25Å; L178-A247 HydrophobicContact CB-CB 4.29Å; L178-A247 HydrophobicContact CD2-CB 4.45Å; L178-A247 PolarHBondContact N-O 3.08Å; L178-A247 PolarHBondContact O-N 3.26Å; W216-A247 HydrophobicContact CH2-CB 3.71Å; W216-A247 HydrophobicContact CZ2-CB 4.38Å; W216-A247 HydrophobicContact CZ3-CB 4.32Å
248	F	89.9	Confident	83	Confident	1 Å²	1	29.9 Å²	29.9	0%	0.004	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	147.6	171.4	-72.7	-78.7	0	0	0	110	W124 L142 M175 S176 W177 V187 W205 M234 V246	W124-F248 AromaticContact CH2-CD2 3.73Å; W124-F248 HydrophobicContact CH2-CD2 3.73Å; W124-F248 AromaticContact CH2-CE2 3.69Å; W124-F248 HydrophobicContact CH2-CE2 3.69Å; W124-F248 HydrophobicContact CZ2-CE2 4.43Å; W124-F248 AromaticContact CZ3-CD2 3.87Å; W124-F248 HydrophobicContact CZ3-CD2 3.87Å; W124-F248 HydrophobicContact CZ3-CE2 4.3Å; L142-F248 PolarHBondContact N-O 3.19Å; L142-F248 PolarHBondContact O-N 3.4Å; M175-F248 HydrophobicContact SD-CD1 4.22Å; M175-F248 HydrophobicContact SD-CE1 4.18Å; S176-F248 WeakPolarHBondContact O-CA 3.35Å; W177-F248 HydrophobicContact CB-CD1 3.61Å; W177-F248 HydrophobicContact CB-CE1 3.6Å; W177-F248 HydrophobicContact CG-CE1 4.5Å; V187-F248 HydrophobicContact CG1-CE2 3.8Å; V187-F248 HydrophobicContact CG1-CZ 3.65Å; W205-F248 HydrophobicContact CZ3-CE1 4.18Å; W205-F248 AromaticContact CZ3-CZ 4Å; W205-F248 HydrophobicContact CZ3-CZ 4Å; M234-F248 HydrophobicContact CB-CE2 4.3Å; M234-F248 HydrophobicContact CE-CB 3.97Å; M234-F248 HydrophobicContact CE-CD1 3.51Å; M234-F248 HydrophobicContact CE-CD2 4.06Å; M234-F248 HydrophobicContact CE-CE1 3.9Å; M234-F248 HydrophobicContact CE-CE2 4.4Å; M234-F248 HydrophobicContact CE-CG 3.59Å; M234-F248 HydrophobicContact CE-CZ 4.32Å; M234-F248 HydrophobicContact CG-CD2 4.39Å; M234-F248 HydrophobicContact CG-CE2 4.16Å; M234-F248 HydrophobicContact CG-CZ 4.37Å; M234-F248 HydrophobicContact SD-CB 4.02Å; M234-F248 HydrophobicContact SD-CD1 4.08Å; M234-F248 HydrophobicContact SD-CD2 3.47Å; M234-F248 WeakPolarHBondContact SD-CD2 3.41Å; M234-F248 HydrophobicContact SD-CE1 4.4Å; M234-F248 HydrophobicContact SD-CE2 3.83Å; M234-F248 HydrophobicContact SD-CG 3.6Å; M234-F248 HydrophobicContact SD-CZ 4.28Å; V246-F248 HydrophobicContact CG1-CE2 4.15Å
249	D	88	Confident	81.6	Confident	13 Å²	13	31 Å²	31	7%	0.07	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	172.2	180	-143.7	-22.5	0	0	0	112	N104 A141 S176 W216 I251	N104-D249 WeakPolarHBondContact CA-OD1 3.23Å; A141-D249 HydrophobicContact CB-CB 4.3Å; S176-D249 WeakPolarHBondContact CA-O 3.29Å; S176-D249 WeakPolarHBondContact CB-O 3.36Å; S176-D249 PolarHBondContact N-O 3.21Å; S176-D249 PolarHBondContact O-N 3.07Å; W216-D249 HydrophobicContact CH2-CB 3.73Å; W216-D249 HydrophobicContact CZ2-CB 4.45Å; W216-D249 HydrophobicContact CZ3-CB 3.94Å; D249-I251 VanDerWaalsContact C-N 3.33Å; D249-I251 PolarHBondContact O-N 3.39Å
250	N	88.3	Confident	79.8	Confident	47 Å²	47	34.3 Å²	34.3	25%	0.251	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	40.9	55.4	174.3	-70.5	-10.6	0	0	0	113.6	F80 C103 N104 M175 W218	F80-N250 HydrophobicContact CD1-CB 4.17Å; F80-N250 HydrophobicContact CD2-CB 3.69Å; F80-N250 HydrophobicContact CE1-CB 4.31Å; F80-N250 HydrophobicContact CE2-CB 3.85Å; F80-N250 VanDerWaalsContact CE2-O 3.26Å; F80-N250 WeakPolarHBondContact CE2-O 3.39Å; F80-N250 HydrophobicContact CG-CB 3.86Å; F80-N250 HydrophobicContact CZ-CB 4.15Å; C103-N250 CarbonylContact O-C 3.5Å; C103-N250 WeakPolarHBondContact O-CA 3.47Å; C103-N250 PolarHBondContact O-N 3.24Å; N104-N250 WeakPolarHBondContact CB-OD1 3.39Å; M175-N250 WeakPolarHBondContact CA-O 3.28Å; W218-N250 HydrophobicContact CZ3-CB 3.93Å
251	I	89.7	Confident	78	Confident	3 Å²	3	34.6 Å²	34.6	2%	0.015	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	125.8	179.8	-51.3	172.6	0	0	0	109.3	Y102 C103 F105 W112 L173 R174 M175 M234 D249	Y102-I251 CarbonylContact C-O 3.52Å; Y102-I251 WeakPolarHBondContact CA-O 3.34Å; C103-I251 PolarHBondContact N-O 2.82Å; C103-I251 PolarHBondContact O-N 2.03Å; F105-I251 HydrophobicContact CE2-CD1 3.65Å; F105-I251 HydrophobicContact CE2-CG1 4.1Å; F105-I251 HydrophobicContact CZ-CD1 3.59Å; F105-I251 HydrophobicContact CZ-CG1 4.49Å; W112-I251 HydrophobicContact CZ2-CD1 3.82Å; W112-I251 HydrophobicContact CZ2-CG2 4.36Å; L173-I251 HydrophobicContact CD1-CG2 3.98Å; R174-I251 CarbonylContact O-C 3.56Å; R174-I251 WeakPolarHBondContact O-CA 3.19Å; M175-I251 HydrophobicContact CB-CB 4.46Å; M175-I251 HydrophobicContact CB-CG1 4.06Å; M175-I251 HydrophobicContact CB-CG2 4.49Å; M234-I251 HydrophobicContact CE-CD1 3.51Å; M234-I251 HydrophobicContact CE-CG1 4.33Å; M234-I251 HydrophobicContact SD-CD1 4.38Å; D249-I251 VanDerWaalsContact C-N 3.33Å; D249-I251 PolarHBondContact O-N 3.39Å
252	S	88.8	Confident	76	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.007	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	158.2	167.7	71.3	0	0	0	0	114.9	C78 F101 L173 R174	C78-S252 WeakPolarHBondContact O-CB 3.36Å; C78-S252 PolarHBondContact O-OG 2.99Å; F101-S252 CarbonylContact O-C 3.55Å; F101-S252 VanDerWaalsContact O-CA 3.23Å; F101-S252 WeakPolarHBondContact O-CA 3.25Å; L173-S252 CarbonylContact C-O 3.58Å; L173-S252 WeakPolarHBondContact CA-O 3.29Å; L173-S252 WeakPolarHBondContact CD1-O 3.1Å; R174-S252 PolarHBondContact N-O 2.89Å; R174-S252 PolarHBondContact O-N 3.29Å
253	I	88.6	Confident	73.5	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	141.6	173.4	-62.9	174.8	0	0	0	108.2	F101 F162 E172 L173 F230 C257 Y258	F101-I253 HydrophobicContact CD1-CB 4.44Å; F101-I253 HydrophobicContact CE1-CB 4.27Å; F101-I253 WeakPolarHBondContact CE1-O 3.28Å; F101-I253 HydrophobicContact CE2-CB 4.38Å; F101-I253 HydrophobicContact CE2-CG2 4.39Å; F101-I253 HydrophobicContact CZ-CB 4.22Å; F101-I253 HydrophobicContact CZ-CG2 4.32Å; F101-I253 WeakPolarHBondContact CZ-O 3.4Å; F101-I253 PolarHBondContact O-N 2.84Å; F162-I253 HydrophobicContact CD1-CD1 4.05Å; F162-I253 HydrophobicContact CD2-CD1 3.84Å; F162-I253 HydrophobicContact CE1-CD1 3.87Å; F162-I253 HydrophobicContact CE2-CD1 3.62Å; F162-I253 HydrophobicContact CG-CD1 4.05Å; F162-I253 HydrophobicContact CZ-CD1 3.64Å; E172-I253 CarbonylContact O-C 3.55Å; E172-I253 WeakPolarHBondContact O-CA 3.41Å; L173-I253 HydrophobicContact CD1-CG1 3.82Å; F230-I253 HydrophobicContact CZ-CD1 4.4Å; I253-C257 HydrophobicContact CG2-CB 4.33Å; I253-C257 WeakPolarHBondContact CG2-SG 2.98Å; I253-Y258 HydrophobicContact CG2-CE2 3.98Å
254	S	86.3	Confident	71.2	Confident	5 Å²	5	39.2 Å²	39.2	4%	0.035	23%	0.226	C	C	.	.			trans	-61.3	141	176.4	173.6	0	0	0	0	111.8	E172 D256 C257	E172-S254 PolarHBondContact O-N 2.98Å; S254-D256 PolarHBondContact O-N 3.02Å; S254-D256 WeakPolarHBondContact OG-CB 3.18Å; S254-D256 PolarHBondContact OG-N 3.28Å; S254-D256 VanDerWaalsContact OG-N 3.08Å; S254-D256 PolarHBondContact OG-OD2 3.24Å; S254-C257 VanDerWaalsContact O-CB 3.28Å; S254-C257 WeakPolarHBondContact O-CB 3.36Å; S254-C257 PolarHBondContact O-N 2.91Å; S254-C257 PolarHBondContact O-SG 2.86Å
255	L	80.1	Confident	68.4	Low	8 Å²	8	45.3 Å²	45.3	4%	0.042	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-66.8	-24.2	172.2	-72.9	167.4	0	0	0	112.9	L74 A77 M93 L97 F101 C257 Y258	L74-L255 HydrophobicContact CB-CB 4.22Å; L74-L255 HydrophobicContact CD2-CB 4.22Å; L74-L255 HydrophobicContact CD2-CD1 4.3Å; A77-L255 HydrophobicContact CB-CD1 4.12Å; M93-L255 HydrophobicContact CE-CD1 3.88Å; M93-L255 HydrophobicContact SD-CD1 4.35Å; L97-L255 HydrophobicContact CD1-CD2 3.83Å; L97-L255 HydrophobicContact CD2-CD2 3.82Å; F101-L255 HydrophobicContact CE1-CD2 3.92Å; F101-L255 HydrophobicContact CE1-CG 4.33Å; F101-L255 HydrophobicContact CZ-CD2 3.86Å; F101-L255 HydrophobicContact CZ-CG 4.44Å; L255-C257 PolarHBondContact O-N 3.16Å; L255-Y258 PolarHBondContact O-N 2.95Å
256	D	74.9	Confident	65.8	Low	38 Å²	38	50.8 Å²	50.8	20%	0.203	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-59.3	-30.2	177.1	-58.3	-48.3	0	0	0	112.1	L74 G75 S169 P170 S254 Y258	L74-D256 WeakPolarHBondContact CB-OD1 3.47Å; G75-D256 WeakPolarHBondContact CA-OD2 3.34Å; G75-D256 PolarHBondContact N-OD1 3.06Å; G75-D256 PolarHBondContact N-OD2 2.97Å; S169-D256 VanDerWaalsContact CB-O 3.28Å; S169-D256 WeakPolarHBondContact CB-O 3.42Å; P170-D256 HydrophobicContact CG-CB 3.9Å; S254-D256 PolarHBondContact O-N 3.02Å; S254-D256 WeakPolarHBondContact OG-CB 3.18Å; S254-D256 PolarHBondContact OG-N 3.28Å; S254-D256 VanDerWaalsContact OG-N 3.08Å; S254-D256 PolarHBondContact OG-OD2 3.24Å; D256-Y258 PolarHBondContact O-N 3.37Å
257	C	72.2	Confident	62.7	Low	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-50	-29.5	176.1	-67.8	0	0	0	0	113.9	P165 I166 C171 I253 S254 L255	P165-C257 CarbonylContact C-O 3.55Å; P165-C257 WeakPolarHBondContact CA-O 3.4Å; P165-C257 HydrophobicContact CB-CB 4.16Å; P165-C257 WeakPolarHBondContact CB-O 3Å; I166-C257 PolarHBondContact N-O 3.22Å; C171-C257 WeakPolarHBondContact CA-SG 3.39Å; C171-C257 HydrophobicContact CB-CB 3.84Å; C171-C257 WeakPolarHBondContact CB-SG 3.49Å; C171-C257 WeakPolarHBondContact SG-CB 3.47Å; C171-C257 CovalentContact SG-SG 2.03Å; C171-C257 PolarHBondContact SG-SG 2.79Å; I253-C257 HydrophobicContact CG2-CB 4.33Å; I253-C257 WeakPolarHBondContact CG2-SG 2.98Å; S254-C257 VanDerWaalsContact O-CB 3.28Å; S254-C257 WeakPolarHBondContact O-CB 3.36Å; S254-C257 PolarHBondContact O-N 2.91Å; S254-C257 PolarHBondContact O-SG 2.86Å; L255-C257 PolarHBondContact O-N 3.16Å
258	Y	68.9	Low	59.8	Low	46 Å²	46	65.6 Å²	65.6	18%	0.18	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-129.9	6.6	-167.1	-52.6	-77.2	0	0	0	115	F101 P163 P165 F230 I253 L255 D256	F101-Y258 HydrophobicContact CD2-CE2 4.31Å; F101-Y258 AromaticContact CE2-CD2 3.56Å; F101-Y258 HydrophobicContact CE2-CD2 3.56Å; F101-Y258 AromaticContact CE2-CE2 3.4Å; F101-Y258 HydrophobicContact CE2-CE2 3.4Å; F101-Y258 HydrophobicContact CZ-CD2 4.04Å; F101-Y258 HydrophobicContact CZ-CE2 4.07Å; P163-Y258 HydrophobicContact CB-CD1 3.83Å; P163-Y258 HydrophobicContact CB-CE1 3.66Å; P163-Y258 HydrophobicContact CG-CD1 3.94Å; P163-Y258 HydrophobicContact CG-CE1 3.8Å; P165-Y258 HydrophobicContact CB-CE1 4.11Å; F230-Y258 WeakPolarHBondContact CE1-OH 2.98Å; F230-Y258 WeakPolarHBondContact CZ-OH 3.23Å; I253-Y258 HydrophobicContact CG2-CE2 3.98Å; L255-Y258 PolarHBondContact O-N 2.95Å; D256-Y258 PolarHBondContact O-N 3.37Å
259	L	57.9	Low	56.7	Low	28 Å²	28	72.7 Å²	72.7	15%	0.147	39%	0.39	C	S	.	.			trans	-122.1	128.4	177.4	-64.1	171.5	0	0	0	110.5	M58 L60 L74 I166	M58-L259 HydrophobicContact CB-CD2 4.35Å; M58-L259 WeakPolarHBondContact O-CD2 3.45Å; L60-L259 HydrophobicContact CB-CD1 4.02Å; L60-L259 HydrophobicContact CD1-CD1 4.24Å; L74-L259 HydrophobicContact CD1-CB 4.15Å; L74-L259 HydrophobicContact CD1-CD1 3.64Å; L74-L259 HydrophobicContact CD2-CD1 3.79Å; L74-L259 HydrophobicContact CG-CD1 4.33Å; I166-L259 VanDerWaalsContact CD1-N 3.32Å
260	T	41.1	Very low	53.8	Low	88 Å²	88	78.6 Å²	78.6	54%	0.54	42%	0.422	S	S	.	.			trans	-81.7	145.8	171.2	36.6	0	0	0	0	109.9	I166 S262	I166-T260 HydrophobicContact CD1-CG2 3.92Å; I166-T260 HydrophobicContact CG2-CG2 3.99Å; T260-S262 PolarHBondContact O-N 2.95Å; T260-S262 PolarHBondContact OG1-OG 2.81Å
261	I	39.7	Very low	50.6	Low	151 Å²	151	83.1 Å²	83.1	77%	0.774	45%	0.452	S	S	*	.			trans	-68.3	82.8	155.6	-54.7	176.4	0	0	0	107.3	G263	I261-G263 PolarHBondContact O-N 3.18Å
262	S	30.9	Very low	47.6	Very low	107 Å²	107	87.3 Å²	87.3	75%	0.748	49%	0.487	S	S	*	.			trans	-74.1	68.5	175.5	-73.7	0	0	0	0	110.2	T260	T260-S262 PolarHBondContact O-N 2.95Å; T260-S262 PolarHBondContact OG1-OG 2.81Å
263	G	27.6	Very low	44.6	Very low	64 Å²	64	93.4 Å²	93.4	66%	0.66	53%	0.526	S	S	*	.			trans	-95.8	-18.8	-173.9	0	0	0	0	0	115.6	I261	I261-G263 PolarHBondContact O-N 3.18Å
264	E	34.1	Very low	41.5	Very low	170 Å²	170	102 Å²	102	79%	0.794	56%	0.564	S	S	*	*			trans	-126.8	114.3	175.9	-69.3	-149.7	147.2	0	0	112.3
265	D	26.8	Very low	38.5	Very low	130 Å²	130	107.6 Å²	107.6	70%	0.695	60%	0.602	S	S	*	*				-158	103.4	120	-129.3	-14.6	0	0	0	113.8
266	K	32.6	Very low	35.8	Very low	165 Å²	165	118.1 Å²	118.1	72%	0.717	64%	0.641	S	S	*	*			trans	34.2	117.4	138.2	-56.6	172	-165.4	76.6	0	118.9
267	I	23	Very low	33.4	Very low	175 Å²	175	122.6 Å²	122.6	90%	0.897	67%	0.666	S	S	*	*				-136.5	147	127.2	-107.8	171.2	0	0	0	111.2
268	L	26.7	Very low	31.1	Very low	136 Å²	136	129.5 Å²	129.5	71%	0.712	70%	0.702	S	S	*	*			trans	-70.4	140.6	-173.9	179.5	68	0	0	0	113.9
269	Q	25.7	Very low	28.9	Very low	150 Å²	150	136.2 Å²	136.2	70%	0.701	73%	0.732	S	S	*	*			trans	66.9	131.1	158.1	-78.9	170.2	6.3	0	0	121.1
270	N	25.4	Very low	27.3	Very low	137 Å²	137	144 Å²	144	73%	0.733	77%	0.768	S	S	*	*			trans	54.8	100.5	139.2	-60.2	-22.2	0	0	0	119.7
271	T	22.7	Very low	26.4	Very low	143 Å²	143	151.6 Å²	151.6	88%	0.877	79%	0.787	S	S	*	*				-166.3	119.8	99.7	12.4	0	0	0	0	113.7
272	A	25	Very low	25.8	Very low	91 Å²	91	151.1 Å²	151.1	75%	0.752	79%	0.786	S	S	*	*			trans	-92.1	131.1	159.9	0	0	0	0	0	109.9	K274	A272-K274 VanDerWaalsContact C-N 3.31Å; A272-K274 PolarHBondContact O-N 3.28Å
273	P	25.7	Very low	25.7	Very low	129 Å²	129	151.1 Å²	151.1	84%	0.838	78%	0.783	S	S	*	*			trans	-81.7	72.6	178.6	32.4	-34.3	0	0	0	113.1
274	K	24.2	Very low	25.8	Very low	182 Å²	182	155.6 Å²	155.6	79%	0.791	79%	0.792	S	S	*	*			trans	57.9	106.9	147.5	-59.7	168.9	-178.3	169.1	0	119.4	A272	A272-K274 VanDerWaalsContact C-N 3.31Å; A272-K274 PolarHBondContact O-N 3.28Å
275	S	22.6	Very low	25.4	Very low	121 Å²	121	157.4 Å²	157.4	85%	0.846	80%	0.797	S	S	*	*	S	Bend		-83.1	167.9	117.4	65.3	0	0	0	0	109.5
276	R	24.8	Very low	25.4	Very low	229 Å²	229	159.6 Å²	159.6	86%	0.864	80%	0.803	S	S	*	*			trans	-97.2	137.9	-159.6	-75.7	166.3	130.4	147.7	-6.7	114.7
277	N	24.2	Very low	24.9	Very low	133 Å²	133	158.1 Å²	158.1	71%	0.711	80%	0.802	S	S	*	*			trans	24.4	135.8	141.5	-50.7	3.9	0	0	0	119.4
278	L	22.9	Very low	24.9	Very low	144 Å²	144	158.4 Å²	158.4	75%	0.754	80%	0.797	S	S	*	*				-170.1	146.1	99.6	-97.3	166.4	0	0	0	113.5
279	F	24.1	Very low	25.5	Very low	187 Å²	187	157.9 Å²	157.9	82%	0.82	80%	0.802	S	S	*	*			trans	57.6	109.5	168.2	-65.3	-64.4	0	0	0	121.3
280	E	22.8	Very low	25.5	Very low	192 Å²	192	154.2 Å²	154.2	90%	0.897	80%	0.804	S	S	*	*			trans	-68.3	151.5	144.3	-59	170.3	105.8	0	0	110.9
281	R	23.7	Very low	25.5	Very low	248 Å²	248	157.1 Å²	157.1	94%	0.936	81%	0.813	S	S	*	*			trans	-146.6	137.4	136.8	-154.8	167.9	-170.5	166.9	4.5	112.5
282	N	26.1	Very low	25.8	Very low	141 Å²	141	158.3 Å²	158.3	75%	0.754	81%	0.814	S	S	*	*			trans	-57.2	134.4	-171.6	-152	16.4	0	0	0	113.8
283	P	28.7	Very low	25.8	Very low	107 Å²	107	158.9 Å²	158.9	70%	0.695	81%	0.812	S	S	*	*			trans	-75.8	130.5	173.4	30.7	-34.6	0	0	0	111.4
284	N	29.6	Very low	25.9	Very low	157 Å²	157	158.7 Å²	158.7	84%	0.84	81%	0.812	S	S	*	*			trans	-167	88.1	161.9	-111.5	-31.1	0	0	0	111.6
285	K	26.7	Very low	26	Very low	209 Å²	209	161.2 Å²	161.2	91%	0.909	82%	0.816	S	S	*	*			trans	-164.8	130.5	155.1	-122.8	179.1	-178	-176.3	0	111.6
286	E	25.5	Very low	26.3	Very low	176 Å²	176	164.4 Å²	164.4	82%	0.822	82%	0.817	S	S	*	*			trans	-73.7	158.3	163.5	-55	171.7	119.8	0	0	110
287	L	23.8	Very low	26.4	Very low	134 Å²	134	159.3 Å²	159.3	70%	0.702	81%	0.812	S	S	*	*				147.7	125.9	102.1	-169.2	62.9	0	0	0	114.8
288	K	22.5	Very low	26.7	Very low	181 Å²	181	157.5 Å²	157.5	79%	0.787	81%	0.807	S	S	*	*			trans	77.6	156.4	155.4	-83.7	169.5	-174.6	177.7	0	121
289	P	38.1	Very low	27.1	Very low	125 Å²	125	157.5 Å²	157.5	81%	0.812	81%	0.807	S	S	*	*			trans	-108.9	167.7	-166.5	41.9	-34.6	0	0	0	114.6
290	G	25.3	Very low	27.9	Very low	72 Å²	72	153.1 Å²	153.1	74%	0.742	79%	0.787	S	S	*	*			trans	120.7	115.3	154.1	0	0	0	0	0	114.8
291	E	26.2	Very low	28.7	Very low	199 Å²	199	148.4 Å²	148.4	93%	0.93	77%	0.768	S	S	*	*				-166.4	154	115.1	-106.5	-179.9	165.4	0	0	111.1
292	N	29.3	Very low	29.6	Very low	168 Å²	168	139.4 Å²	139.4	90%	0.898	74%	0.742	S	S	*	*			trans	-97	125.5	-174.5	-71.7	-32.1	0	0	0	111.7
293	S	25.3	Very low	30.4	Very low	102 Å²	102	137.4 Å²	137.4	71%	0.713	74%	0.735	S	S	*	*			trans	-158.3	122.4	143.2	56	0	0	0	0	110.8	R295	S293-R295 PolarHBondContact O-N 3.35Å
294	P	28.1	Very low	32	Very low	126 Å²	126	134 Å²	134	82%	0.818	71%	0.712	S	S	*	*			trans	-73.7	108.9	167.5	29.7	-30.6	0	0	0	108.3	Q296	P294-Q296 PolarHBondContact O-N 2.82Å
295	R	26.5	Very low	34.2	Very low	234 Å²	234	131.8 Å²	131.8	88%	0.883	70%	0.697	S	S	*	*			trans	-65.6	118.8	160	-82.2	-173.3	171.9	-171.4	-2.6	107.3	S293 T297	S293-R295 PolarHBondContact O-N 3.35Å; R295-T297 PolarHBondContact O-N 2.82Å
296	Q	28.5	Very low	37.2	Very low	188 Å²	188	122.8 Å²	122.8	88%	0.879	66%	0.657	S	S	*	*			trans	-62.7	104.3	170.8	-69.2	170.2	-46.9	0	0	108.6	P294	P294-Q296 PolarHBondContact O-N 2.82Å
297	T	25.5	Very low	40.3	Very low	123 Å²	123	117.7 Å²	117.7	76%	0.755	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-59.2	129.3	150.8	41.2	0	0	0	0	107	R295 I299	R295-T297 PolarHBondContact O-N 2.82Å; T297-I299 PolarHBondContact O-N 2.86Å
298	P	30.5	Very low	43.7	Very low	94 Å²	94	111.3 Å²	111.3	61%	0.61	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-59.7	129.9	176	-20.7	32	0	0	0	109.8	F300	P298-F300 HydrophobicContact CB-CD2 3.97Å; P298-F300 HydrophobicContact CB-CE2 3.7Å; P298-F300 HydrophobicContact CB-CZ 4.41Å; P298-F300 HydrophobicContact CG-CE2 4.11Å; P298-F300 WeakPolarHBondContact O-CD2 3.32Å; P298-F300 PolarHBondContact O-N 2.9Å
299	I	32	Very low	47.1	Very low	144 Å²	144	104.9 Å²	104.9	74%	0.738	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-65.1	116.6	163.7	-75.4	167.8	0	0	0	106	T297	T297-I299 PolarHBondContact O-N 2.86Å
300	F	40.3	Very low	49.8	Very low	95 Å²	95	99.3 Å²	99.3	42%	0.417	54%	0.541	S	S	.	.			trans	-107.1	126.4	178.1	-89	-78.8	0	0	0	109	P298 P302 A353	P298-F300 HydrophobicContact CB-CD2 3.97Å; P298-F300 HydrophobicContact CB-CE2 3.7Å; P298-F300 HydrophobicContact CB-CZ 4.41Å; P298-F300 HydrophobicContact CG-CE2 4.11Å; P298-F300 WeakPolarHBondContact O-CD2 3.32Å; P298-F300 PolarHBondContact O-N 2.9Å; F300-P302 WeakPolarHBondContact O-CD 3.3Å; F300-A353 HydrophobicContact CE2-CB 4.21Å; F300-A353 HydrophobicContact CZ-CB 3.96Å
301	D	39.6	Very low	52.9	Low	93 Å²	93	96.2 Å²	96.2	50%	0.497	51%	0.508	S	S	.	.			trans	-78.3	120.7	-178.4	-173.4	-35.4	0	0	0	110.1	T303 V304	D301-T303 VanDerWaalsContact CG-OG1 3.27Å; D301-T303 PolarHBondContact O-N 2.86Å; D301-T303 VanDerWaalsContact O-N 3.11Å; D301-T303 VanDerWaalsContact OD1-CB 3.3Å; D301-T303 WeakPolarHBondContact OD1-CB 3.48Å; D301-T303 WeakPolarHBondContact OD1-CG2 3.37Å; D301-T303 PolarHBondContact OD1-N 3.43Å; D301-T303 PolarHBondContact OD1-OG1 2.82Å; D301-V304 HydrophobicContact CB-CG2 4.12Å; D301-V304 WeakPolarHBondContact O-CG2 3.49Å; D301-V304 PolarHBondContact O-N 3.47Å
302	P	42.5	Very low	55.8	Low	59 Å²	59	89.8 Å²	89.8	38%	0.383	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-11.1	-179	-22.4	34.4	0	0	0	115	F300 V304 M620	F300-P302 WeakPolarHBondContact O-CD 3.3Å; P302-V304 VanDerWaalsContact C-N 3.3Å; P302-V304 PolarHBondContact O-N 3.28Å; P302-M620 HydrophobicContact CB-CB 4.27Å; P302-M620 HydrophobicContact CG-CB 3.84Å; P302-M620 HydrophobicContact CG-CG 4.2Å; P302-M620 HydrophobicContact CG-SD 4.1Å
303	T	44.1	Very low	58.6	Low	100 Å²	100	82 Å²	82	61%	0.613	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-9.5	-179.6	66.1	0	0	0	0	114	D301 H305	D301-T303 VanDerWaalsContact CG-OG1 3.27Å; D301-T303 PolarHBondContact O-N 2.86Å; D301-T303 VanDerWaalsContact O-N 3.11Å; D301-T303 VanDerWaalsContact OD1-CB 3.3Å; D301-T303 WeakPolarHBondContact OD1-CB 3.48Å; D301-T303 WeakPolarHBondContact OD1-CG2 3.37Å; D301-T303 PolarHBondContact OD1-N 3.43Å; D301-T303 PolarHBondContact OD1-OG1 2.82Å; T303-H305 PolarHBondContact O-N 3.22Å; T303-H305 PolarHBondContact O-ND1 3.3Å
304	V	62.5	Low	61.4	Low	34 Å²	34	81.7 Å²	81.7	21%	0.206	45%	0.452	C	S	.	.			trans	-73.1	119.2	-172.9	-176.1	0	0	0	0	111.8	D301 P302 W306	D301-V304 HydrophobicContact CB-CG2 4.12Å; D301-V304 WeakPolarHBondContact O-CG2 3.49Å; D301-V304 PolarHBondContact O-N 3.47Å; P302-V304 VanDerWaalsContact C-N 3.3Å; P302-V304 PolarHBondContact O-N 3.28Å; V304-W306 HydrophobicContact CB-CH2 4.44Å; V304-W306 HydrophobicContact CB-CZ2 4.43Å; V304-W306 HydrophobicContact CG1-CD2 4.21Å; V304-W306 HydrophobicContact CG1-CH2 3.68Å; V304-W306 HydrophobicContact CG1-CZ2 3.28Å; V304-W306 HydrophobicContact CG1-CZ3 4.28Å
305	H	76.3	Confident	63.9	Low	111 Å²	111	76 Å²	76	51%	0.514	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	143.9	174.5	56.8	-80.4	0	0	0	109.3	T303 K605	T303-H305 PolarHBondContact O-N 3.22Å; T303-H305 PolarHBondContact O-ND1 3.3Å; H305-K605 HydrophobicContact CB-CG 3.97Å
306	W	89.3	Confident	66.7	Low	20 Å²	20	65.5 Å²	65.5	8%	0.076	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	106	-179.8	-61.1	-82.4	0	0	0	109.9	V304 F308 N332 L333 W349 P352 Y357 I604 H606	V304-W306 HydrophobicContact CB-CH2 4.44Å; V304-W306 HydrophobicContact CB-CZ2 4.43Å; V304-W306 HydrophobicContact CG1-CD2 4.21Å; V304-W306 HydrophobicContact CG1-CH2 3.68Å; V304-W306 HydrophobicContact CG1-CZ2 3.28Å; V304-W306 HydrophobicContact CG1-CZ3 4.28Å; W306-F308 HydrophobicContact CB-CE2 3.73Å; W306-F308 HydrophobicContact CB-CZ 4.09Å; W306-F308 WeakPolarHBondContact O-CD2 3.41Å; W306-F308 WeakPolarHBondContact O-CE2 3.49Å; W306-N332 PolarHBondContact NE1-O 2.87Å; W306-L333 HydrophobicContact CB-CD1 4.39Å; W306-W349 AromaticContact CD1-NE1 3.96Å; W306-W349 HydrophobicContact CD2-CH2 4.2Å; W306-W349 AromaticContact CD2-CZ2 3.53Å; W306-W349 HydrophobicContact CD2-CZ2 3.53Å; W306-W349 AromaticContact CE2-CZ2 3.74Å; W306-W349 HydrophobicContact CE3-CH2 4.03Å; W306-W349 AromaticContact CE3-CZ2 3.83Å; W306-W349 HydrophobicContact CE3-CZ2 3.83Å; W306-W349 AromaticContact CG-CZ2 3.87Å; W306-W349 HydrophobicContact CG-CZ2 3.87Å; W306-W349 HydrophobicContact CH2-CZ2 4.47Å; W306-W349 HydrophobicContact CZ2-CZ2 4.2Å; W306-W349 HydrophobicContact CZ3-CH2 4.33Å; W306-W349 HydrophobicContact CZ3-CZ2 4.3Å; W306-P352 HydrophobicContact CH2-CG 3.78Å; W306-P352 HydrophobicContact CZ2-CG 3.77Å; W306-Y357 HydrophobicContact CH2-CE1 4.34Å; W306-Y357 HydrophobicContact CZ3-CD1 4.45Å; W306-Y357 AromaticContact CZ3-CE1 3.84Å; W306-Y357 HydrophobicContact CZ3-CE1 3.84Å; W306-I604 HydrophobicContact CB-CB 4.42Å; W306-I604 HydrophobicContact CE3-CB 4.46Å; W306-I604 HydrophobicContact CE3-CG2 4.25Å; W306-I604 PolarHBondContact N-O 3.25Å; W306-I604 PolarHBondContact O-N 3.07Å; W306-H606 AromaticContact CH2-CD2 3.77Å; W306-H606 AromaticContact CH2-NE2 3.62Å; W306-H606 AromaticContact CZ3-CD2 3.75Å; W306-H606 AromaticContact CZ3-NE2 3.98Å
307	L	90.7	Very high	69.7	Low	70 Å²	70	61.3 Å²	61.3	37%	0.366	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	116.8	178.5	-178.1	65.2	0	0	0	110.5	L333 E601 V602 N603	L307-L333 VanDerWaalsContact O-CD2 3.31Å; L307-L333 WeakPolarHBondContact O-CD2 3.16Å; L307-E601 HydrophobicContact CD1-CB 4.21Å; L307-E601 HydrophobicContact CD1-CG 4.43Å; L307-V602 WeakPolarHBondContact CA-O 3.48Å; L307-N603 HydrophobicContact CD1-CB 4.27Å
308	F	94.4	Very high	72.7	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	135.6	177.2	-55.1	-99.5	0	0	0	110	W306 L333 V335 W349 I396 V398 E601 V602 I604	W306-F308 HydrophobicContact CB-CE2 3.73Å; W306-F308 HydrophobicContact CB-CZ 4.09Å; W306-F308 WeakPolarHBondContact O-CD2 3.41Å; W306-F308 WeakPolarHBondContact O-CE2 3.49Å; F308-L333 HydrophobicContact CD1-CD1 4.37Å; F308-L333 HydrophobicContact CD1-CD2 3.88Å; F308-L333 HydrophobicContact CE1-CD1 3.56Å; F308-L333 HydrophobicContact CE1-CD2 3.91Å; F308-L333 HydrophobicContact CE1-CG 4.32Å; F308-L333 HydrophobicContact CG-CD2 4.27Å; F308-L333 HydrophobicContact CZ-CD1 3.67Å; F308-L333 HydrophobicContact CZ-CD2 4.31Å; F308-V335 HydrophobicContact CD1-CG1 4.15Å; F308-V335 HydrophobicContact CE1-CG1 3.73Å; F308-W349 HydrophobicContact CE1-CB 3.75Å; F308-W349 AromaticContact CE1-CG 3.9Å; F308-W349 HydrophobicContact CE1-CG 3.9Å; F308-W349 HydrophobicContact CZ-CB 3.83Å; F308-W349 AromaticContact CZ-CD1 3.83Å; F308-W349 AromaticContact CZ-CD2 3.86Å; F308-W349 HydrophobicContact CZ-CD2 3.86Å; F308-W349 HydrophobicContact CZ-CE3 4.45Å; F308-W349 AromaticContact CZ-CG 3.56Å; F308-W349 HydrophobicContact CZ-CG 3.56Å; F308-I396 HydrophobicContact CB-CG2 4.13Å; F308-I396 HydrophobicContact CD1-CD1 3.85Å; F308-I396 HydrophobicContact CD1-CG2 4.34Å; F308-I396 HydrophobicContact CD2-CD1 3.97Å; F308-I396 HydrophobicContact CE1-CD1 3.6Å; F308-I396 HydrophobicContact CE2-CD1 3.76Å; F308-I396 HydrophobicContact CG-CD1 4.03Å; F308-I396 HydrophobicContact CG-CG2 4.17Å; F308-I396 HydrophobicContact CZ-CD1 3.57Å; F308-V398 HydrophobicContact CB-CG2 3.93Å; F308-E601 WeakPolarHBondContact O-CA 3.33Å; F308-V602 HydrophobicContact CB-CB 4.17Å; F308-V602 HydrophobicContact CD2-CB 4.19Å; F308-V602 HydrophobicContact CD2-CG1 4.28Å; F308-V602 PolarHBondContact N-O 2.88Å; F308-V602 PolarHBondContact O-N 2.97Å; F308-I604 HydrophobicContact CD2-CG1 4.48Å; F308-I604 HydrophobicContact CE2-CB 4.4Å; F308-I604 HydrophobicContact CE2-CD1 3.74Å; F308-I604 HydrophobicContact CE2-CG1 3.91Å; F308-I604 HydrophobicContact CZ-CD1 4.31Å
309	T	94.1	Very high	75.8	Confident	45 Å²	45	52.2 Å²	52.2	28%	0.276	31%	0.305	S	S	.	.			trans	-125.9	-176.9	-179.3	67.3	0	0	0	0	110.4	C311 Y328 Q347 V398	T309-C311 PolarHBondContact O-N 3.46Å; T309-C311 VanDerWaalsContact O-N 3.14Å; T309-C311 PolarHBondContact OG1-N 2.89Å; T309-C311 VanDerWaalsContact OG1-N 3.14Å; T309-Y328 PolarHBondContact N-OH 3.2Å; T309-Y328 PolarHBondContact OG1-OH 2.6Å; T309-Q347 PolarHBondContact O-NE2 3.05Å; T309-V398 WeakPolarHBondContact O-CG2 3.31Å
310	T	94.1	Very high	78.7	Confident	9 Å²	9	49 Å²	49	6%	0.055	29%	0.292	C	S	.	.			trans	-68.8	2.6	169	54	0	0	0	0	114.3	G312 A313 V398 G399 Q400 F544 H599	T310-G312 PolarHBondContact O-N 3.38Å; T310-G312 VanDerWaalsContact O-N 3.11Å; T310-A313 WeakPolarHBondContact O-CB 3.45Å; T310-A313 PolarHBondContact O-N 2.99Å; T310-V398 HydrophobicContact CG2-CB 4.48Å; T310-V398 HydrophobicContact CG2-CG1 4.14Å; T310-G399 WeakPolarHBondContact CG2-O 3.4Å; T310-Q400 HydrophobicContact CG2-CB 4.22Å; T310-F544 HydrophobicContact CG2-CE1 4.36Å; T310-F544 HydrophobicContact CG2-CE2 4.4Å; T310-F544 HydrophobicContact CG2-CZ 3.74Å; T310-H599 HydrophobicContact CG2-CB 3.84Å
311	C	92	Very high	81.2	Confident	7 Å²	7	47.4 Å²	47.4	5%	0.047	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	23.5	-171.8	-52.6	0	0	0	0	114.2	T309 A313 P319 Q323 C324 A327 Q347	T309-C311 PolarHBondContact O-N 3.46Å; T309-C311 VanDerWaalsContact O-N 3.14Å; T309-C311 PolarHBondContact OG1-N 2.89Å; T309-C311 VanDerWaalsContact OG1-N 3.14Å; C311-A313 VanDerWaalsContact C-N 3.32Å; C311-P319 HydrophobicContact CB-CB 3.85Å; C311-P319 HydrophobicContact CB-CG 4.36Å; C311-Q323 HydrophobicContact CB-CB 4.25Å; C311-C324 HydrophobicContact CB-CB 3.9Å; C311-C324 WeakPolarHBondContact CB-SG 3.47Å; C311-C324 WeakPolarHBondContact SG-CA 3.46Å; C311-C324 WeakPolarHBondContact SG-CB 2.98Å; C311-C324 CovalentContact SG-SG 2.04Å; C311-C324 PolarHBondContact SG-SG 3.24Å; C311-A327 HydrophobicContact CB-CB 4.16Å; C311-Q347 VanDerWaalsContact SG-CD 3.59Å; C311-Q347 PolarHBondContact SG-OE1 3.05Å; C311-Q347 VanDerWaalsContact SG-OE1 3.39Å
312	G	86.9	Confident	83.7	Confident	64 Å²	64	46.5 Å²	46.5	66%	0.66	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	19.6	-174.1	0	0	0	0	0	114.6	T310	T310-G312 PolarHBondContact O-N 3.38Å; T310-G312 VanDerWaalsContact O-N 3.11Å
313	A	87.7	Confident	86.1	Confident	3 Å²	3	46.8 Å²	46.8	3%	0.025	29%	0.288	C	S	.	.			trans	-77.9	148.7	169.6	0	0	0	0	0	112.1	T310 C311 P319 F544	T310-A313 WeakPolarHBondContact O-CB 3.45Å; T310-A313 PolarHBondContact O-N 2.99Å; C311-A313 VanDerWaalsContact C-N 3.32Å; A313-P319 HydrophobicContact CB-CB 3.83Å; A313-F544 HydrophobicContact CB-CE1 3.71Å; A313-F544 HydrophobicContact CB-CZ 4.02Å
314	S	84	Confident	88.5	Confident	96 Å²	96	42 Å²	42	67%	0.671	26%	0.259	S	S	*	.			trans	-148.6	154.4	-176.9	57.7	0	0	0	0	111.8
315	G	80.1	Confident	89.9	Confident	7 Å²	7	44.8 Å²	44.8	7%	0.072	27%	0.272	C	S	.	.	S	Bend	trans	80.3	-174.8	-169.5	0	0	0	0	0	112.3	H317 Q400 F544	G315-H317 PolarHBondContact O-N 3.25Å; G315-Q400 PolarHBondContact O-OE1 3.11Å; G315-F544 WeakPolarHBondContact O-CD1 3.47Å
316	P	85.9	Confident	90.5	Very high	14 Å²	14	44.9 Å²	44.9	9%	0.091	28%	0.277	C	S	.	.	S	Bend	trans	-73.9	6.5	-160.9	30.5	-38.4	0	0	0	115.5	T524 G525	P316-T524 CarbonylContact O-C 3.53Å; P316-T524 WeakPolarHBondContact O-CA 3.4Å; P316-T524 WeakPolarHBondContact O-CB 3.47Å; P316-G525 VanDerWaalsContact CB-O 3.26Å; P316-G525 WeakPolarHBondContact CB-O 3.19Å; P316-G525 PolarHBondContact O-N 2.04Å
317	H	91.3	Very high	90.5	Very high	100 Å²	100	46.5 Å²	46.5	46%	0.463	30%	0.295	S	S	.	.	S	Bend	trans	-122.8	141.1	-176.8	-59.6	100.6	0	0	0	111.7	G315 F544	G315-H317 PolarHBondContact O-N 3.25Å; H317-F544 WeakPolarHBondContact O-CD1 3.23Å
318	G	89.4	Confident	90.4	Very high	21 Å²	21	44.2 Å²	44.2	22%	0.216	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-64.9	169	174.5	0	0	0	0	0	114.5
319	P	94.2	Very high	89.9	Confident	4 Å²	4	51 Å²	51	3%	0.026	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-63.8	164	-172.9	25.7	-36.4	0	0	0	114.8	C311 A313 V337 G345	C311-P319 HydrophobicContact CB-CB 3.85Å; C311-P319 HydrophobicContact CB-CG 4.36Å; A313-P319 HydrophobicContact CB-CB 3.83Å; P319-V337 WeakPolarHBondContact O-CG1 3.43Å; P319-G345 WeakPolarHBondContact CD-O 3.49Å; P319-G345 VanDerWaalsContact O-CA 3.22Å; P319-G345 WeakPolarHBondContact O-CA 3.48Å
320	T	93.2	Very high	89.2	Confident	76 Å²	76	56.7 Å²	56.7	47%	0.466	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-101.1	158.9	167.9	62.6	0	0	0	0	111.2	A322 Q323 C324	T320-A322 PolarHBondContact O-N 3.06Å; T320-A322 VanDerWaalsContact O-N 3.17Å; T320-Q323 WeakPolarHBondContact O-CB 2.98Å; T320-Q323 PolarHBondContact O-N 3.17Å; T320-Q323 PolarHBondContact OG1-OE1 2.91Å; T320-C324 PolarHBondContact O-N 2.99Å
321	Q	93.9	Very high	88.5	Confident	63 Å²	63	59.1 Å²	59.1	29%	0.294	36%	0.359	S	S	.	.	H	α-helix	trans	-51.6	-38.9	174	-172.3	71.7	68.4	0	0	112.5	Q323 C324 N325 V335 V337	Q321-Q323 VanDerWaalsContact C-N 3.32Å; Q321-Q323 PolarHBondContact O-N 3.48Å; Q321-C324 PolarHBondContact O-N 3.04Å; Q321-N325 PolarHBondContact NE2-OD1 3Å; Q321-N325 VanDerWaalsContact O-CB 3.27Å; Q321-N325 WeakPolarHBondContact O-CB 3.33Å; Q321-N325 PolarHBondContact O-N 3.19Å; Q321-N325 PolarHBondContact O-OD1 3.33Å; Q321-V335 PolarHBondContact NE2-O 2.8Å; Q321-V337 HydrophobicContact CB-CB 4.24Å
322	A	91.7	Very high	87.6	Confident	73 Å²	73	65.4 Å²	65.4	60%	0.603	39%	0.392	S	S	*	.	H	α-helix	trans	-65.4	-32.7	179	0	0	0	0	0	113.2	T320 N326	T320-A322 PolarHBondContact O-N 3.06Å; T320-A322 VanDerWaalsContact O-N 3.17Å; A322-N326 PolarHBondContact O-N 2.99Å
323	Q	92.9	Very high	87.5	Confident	65 Å²	65	63 Å²	63	30%	0.304	36%	0.364	S	S	.	.	H	α-helix	trans	-71.8	-48.5	175.3	-75.4	163	-71.5	0	0	111.2	C311 T320 Q321 N325 N326 A327	C311-Q323 HydrophobicContact CB-CB 4.25Å; T320-Q323 WeakPolarHBondContact O-CB 2.98Å; T320-Q323 PolarHBondContact O-N 3.17Å; T320-Q323 PolarHBondContact OG1-OE1 2.91Å; Q321-Q323 VanDerWaalsContact C-N 3.32Å; Q321-Q323 PolarHBondContact O-N 3.48Å; Q323-N325 PolarHBondContact O-N 2.77Å; Q323-N326 PolarHBondContact O-N 3.08Å; Q323-A327 WeakPolarHBondContact O-CB 3.32Å; Q323-A327 PolarHBondContact O-N 2.8Å
324	C	92.9	Very high	87.4	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-67	-36.5	178.7	-61.5	0	0	0	0	112.9	C311 T320 Q321 N326 A327 Y328 V335 V337	C311-C324 HydrophobicContact CB-CB 3.9Å; C311-C324 WeakPolarHBondContact CB-SG 3.47Å; C311-C324 WeakPolarHBondContact SG-CA 3.46Å; C311-C324 WeakPolarHBondContact SG-CB 2.98Å; C311-C324 CovalentContact SG-SG 2.04Å; C311-C324 PolarHBondContact SG-SG 3.24Å; T320-C324 PolarHBondContact O-N 2.99Å; Q321-C324 PolarHBondContact O-N 3.04Å; C324-N326 PolarHBondContact O-N 3.49Å; C324-A327 PolarHBondContact O-N 3.43Å; C324-Y328 HydrophobicContact CB-CD2 4.1Å; C324-Y328 HydrophobicContact CB-CE2 3.97Å; C324-Y328 VanDerWaalsContact O-CD2 3.28Å; C324-Y328 WeakPolarHBondContact O-CD2 3.49Å; C324-Y328 PolarHBondContact O-N 3.26Å; C324-V335 HydrophobicContact CB-CG2 3.89Å; C324-V337 HydrophobicContact CB-CG2 3.85Å
325	N	92.1	Very high	87.7	Confident	92 Å²	92	63.8 Å²	63.8	49%	0.492	37%	0.369	S	S	.	.	H	α-helix	trans	-60.8	-30.6	174	-74.4	7.9	0	0	0	113.1	Q321 Q323 Q329	Q321-N325 PolarHBondContact NE2-OD1 3Å; Q321-N325 VanDerWaalsContact O-CB 3.27Å; Q321-N325 WeakPolarHBondContact O-CB 3.33Å; Q321-N325 PolarHBondContact O-N 3.19Å; Q321-N325 PolarHBondContact O-OD1 3.33Å; Q323-N325 PolarHBondContact O-N 2.77Å; N325-Q329 WeakPolarHBondContact O-CB 3.46Å; N325-Q329 PolarHBondContact O-N 3.06Å
326	N	90.4	Very high	88.3	Confident	114 Å²	114	69.6 Å²	69.6	61%	0.61	39%	0.394	S	S	*	.	H	α-helix	trans	-80.5	-49.9	175.8	-171.5	-13.8	0	0	0	110.4	A322 Q323 C324 Y328 Q329	A322-N326 PolarHBondContact O-N 2.99Å; Q323-N326 PolarHBondContact O-N 3.08Å; C324-N326 PolarHBondContact O-N 3.49Å; N326-Y328 PolarHBondContact O-N 3Å; N326-Q329 WeakPolarHBondContact O-CB 3.33Å; N326-Q329 PolarHBondContact O-N 3.49Å; N326-Q329 VanDerWaalsContact O-N 3.15Å
327	A	88.3	Confident	88.7	Confident	54 Å²	54	69.4 Å²	69.4	45%	0.446	39%	0.392	S	S	.	.	H	α-helix	trans	-57	-33.8	179.9	0	0	0	0	0	113.7	C311 Q323 C324	C311-A327 HydrophobicContact CB-CB 4.16Å; Q323-A327 WeakPolarHBondContact O-CB 3.32Å; Q323-A327 PolarHBondContact O-N 2.8Å; C324-A327 PolarHBondContact O-N 3.43Å
328	Y	89.8	Confident	88.7	Confident	22 Å²	22	65.2 Å²	65.2	9%	0.086	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	13.1	-179.1	-51.4	-46.4	0	0	0	114	T309 C324 N326 N330 S331 L333 V335 Q347	T309-Y328 PolarHBondContact N-OH 3.2Å; T309-Y328 PolarHBondContact OG1-OH 2.6Å; C324-Y328 HydrophobicContact CB-CD2 4.1Å; C324-Y328 HydrophobicContact CB-CE2 3.97Å; C324-Y328 VanDerWaalsContact O-CD2 3.28Å; C324-Y328 WeakPolarHBondContact O-CD2 3.49Å; C324-Y328 PolarHBondContact O-N 3.26Å; N326-Y328 PolarHBondContact O-N 3Å; Y328-N330 PolarHBondContact O-N 3.44Å; Y328-S331 PolarHBondContact O-N 3.08Å; Y328-S331 VanDerWaalsContact O-N 3.15Å; Y328-S331 PolarHBondContact O-OG 2.76Å; Y328-L333 WeakPolarHBondContact CB-O 3.32Å; Y328-L333 HydrophobicContact CD1-CD2 4.07Å; Y328-L333 HydrophobicContact CD2-CD2 4.26Å; Y328-L333 HydrophobicContact CD2-CG 4.37Å; Y328-L333 HydrophobicContact CE1-CD2 3.9Å; Y328-L333 HydrophobicContact CE2-CD2 4.09Å; Y328-L333 HydrophobicContact CG-CD2 4.25Å; Y328-L333 HydrophobicContact CG-CG 4.4Å; Y328-V335 HydrophobicContact CD2-CG2 3.97Å; Y328-V335 HydrophobicContact CE2-CG2 3.83Å; Y328-Q347 VanDerWaalsContact CE2-OE1 3.3Å; Y328-Q347 PolarHBondContact OH-OE1 2.88Å
329	Q	84	Confident	88.4	Confident	142 Å²	142	68.7 Å²	68.7	66%	0.664	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-26	-173.7	-173.8	172.4	-8	0	0	114.4	N325 N326	N325-Q329 WeakPolarHBondContact O-CB 3.46Å; N325-Q329 PolarHBondContact O-N 3.06Å; N326-Q329 WeakPolarHBondContact O-CB 3.33Å; N326-Q329 PolarHBondContact O-N 3.49Å; N326-Q329 VanDerWaalsContact O-N 3.15Å
330	N	77.9	Confident	87.7	Confident	165 Å²	165	76.2 Å²	76.2	88%	0.882	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.1	21.4	-177.1	-60.1	-49.6	0	0	0	113.5	Y328	Y328-N330 PolarHBondContact O-N 3.44Å
331	S	79	Confident	87.1	Confident	59 Å²	59	75.4 Å²	75.4	41%	0.413	44%	0.439	S	S	.	.	S	Bend	trans	-121.9	166.9	-179.6	73.3	0	0	0	0	113	Y328 L333	Y328-S331 PolarHBondContact O-N 3.08Å; Y328-S331 VanDerWaalsContact O-N 3.15Å; Y328-S331 PolarHBondContact O-OG 2.76Å; S331-L333 PolarHBondContact O-N 2.67Å; S331-L333 VanDerWaalsContact O-N 3.09Å
332	N	74.8	Confident	86.4	Confident	139 Å²	139	75.4 Å²	75.4	74%	0.743	45%	0.445	S	S	*	.	S	Bend	trans	-78	21.2	176.7	-65.7	-15.4	0	0	0	113	W306	W306-N332 PolarHBondContact NE1-O 2.87Å
333	L	83.8	Confident	86.2	Confident	13 Å²	13	74.2 Å²	74.2	7%	0.068	43%	0.428	C	S	.	.			trans	-117.5	120.5	-175.8	176.9	58.2	0	0	0	111.1	W306 L307 F308 Y328 S331 V335 W349	W306-L333 HydrophobicContact CB-CD1 4.39Å; L307-L333 VanDerWaalsContact O-CD2 3.31Å; L307-L333 WeakPolarHBondContact O-CD2 3.16Å; F308-L333 HydrophobicContact CD1-CD1 4.37Å; F308-L333 HydrophobicContact CD1-CD2 3.88Å; F308-L333 HydrophobicContact CE1-CD1 3.56Å; F308-L333 HydrophobicContact CE1-CD2 3.91Å; F308-L333 HydrophobicContact CE1-CG 4.32Å; F308-L333 HydrophobicContact CG-CD2 4.27Å; F308-L333 HydrophobicContact CZ-CD1 3.67Å; F308-L333 HydrophobicContact CZ-CD2 4.31Å; Y328-L333 WeakPolarHBondContact CB-O 3.32Å; Y328-L333 HydrophobicContact CD1-CD2 4.07Å; Y328-L333 HydrophobicContact CD2-CD2 4.26Å; Y328-L333 HydrophobicContact CD2-CG 4.37Å; Y328-L333 HydrophobicContact CE1-CD2 3.9Å; Y328-L333 HydrophobicContact CE2-CD2 4.09Å; Y328-L333 HydrophobicContact CG-CD2 4.25Å; Y328-L333 HydrophobicContact CG-CG 4.4Å; S331-L333 PolarHBondContact O-N 2.67Å; S331-L333 VanDerWaalsContact O-N 3.09Å; L333-V335 HydrophobicContact CD1-CG1 3.87Å; L333-V335 HydrophobicContact CG-CG1 4.17Å; L333-W349 VanDerWaalsContact CD1-CD1 3.49Å; L333-W349 HydrophobicContact CD1-CG 4.45Å
334	S	85.1	Confident	85.9	Confident	102 Å²	102	76.6 Å²	76.6	71%	0.713	44%	0.437	S	S	*	.			trans	-116.7	136.7	167.8	56.7	0	0	0	0	110.2
335	V	91.4	Very high	85.7	Confident	15 Å²	15	76.7 Å²	76.7	9%	0.091	44%	0.438	C	S	.	.			trans	-136.6	144	179	-61.9	0	0	0	0	110.8	F308 Q321 C324 Y328 L333 V337 Q347 I348 W349	F308-V335 HydrophobicContact CD1-CG1 4.15Å; F308-V335 HydrophobicContact CE1-CG1 3.73Å; Q321-V335 PolarHBondContact NE2-O 2.8Å; C324-V335 HydrophobicContact CB-CG2 3.89Å; Y328-V335 HydrophobicContact CD2-CG2 3.97Å; Y328-V335 HydrophobicContact CE2-CG2 3.83Å; L333-V335 HydrophobicContact CD1-CG1 3.87Å; L333-V335 HydrophobicContact CG-CG1 4.17Å; V335-V337 HydrophobicContact CG2-CG2 4.27Å; V335-Q347 HydrophobicContact CB-CB 4.25Å; V335-Q347 HydrophobicContact CG1-CB 4.35Å; V335-Q347 HydrophobicContact CG2-CB 4.35Å; V335-Q347 HydrophobicContact CG2-CG 4.18Å; V335-I348 WeakPolarHBondContact CA-O 3.3Å; V335-W349 HydrophobicContact CG1-CB 4.44Å
336	E	93.4	Very high	85.8	Confident	128 Å²	128	72.4 Å²	72.4	60%	0.598	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	137	164.5	-175	171.6	-176.9	0	0	108.2	I348	E336-I348 HydrophobicContact CB-CB 4.44Å; E336-I348 PolarHBondContact N-O 2.98Å; E336-I348 WeakPolarHBondContact O-CB 3.36Å; E336-I348 PolarHBondContact O-N 3.32Å
337	V	93	Very high	86.1	Confident	10 Å²	10	67 Å²	67	6%	0.061	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	118.1	-177	-175.2	0	0	0	0	109.2	P319 Q321 C324 V335 S339 I346 Q347	P319-V337 WeakPolarHBondContact O-CG1 3.43Å; Q321-V337 HydrophobicContact CB-CB 4.24Å; C324-V337 HydrophobicContact CB-CG2 3.85Å; V335-V337 HydrophobicContact CG2-CG2 4.27Å; V337-S339 PolarHBondContact O-N 3.21Å; V337-I346 WeakPolarHBondContact CA-O 3.3Å; V337-Q347 HydrophobicContact CG2-CG 4.33Å
338	G	90.8	Very high	86.4	Confident	13 Å²	13	65.4 Å²	65.4	13%	0.134	37%	0.37	C	S	.	.			trans	-57.9	136.5	179.9	0	0	0	0	0	111.8	L343 K344 G345 I346	G338-L343 CarbonylContact C-O 3.4Å; G338-L343 VanDerWaalsContact CA-O 3.29Å; G338-L343 WeakPolarHBondContact CA-O 3.43Å; G338-K344 CarbonylContact O-C 3.59Å; G338-K344 VanDerWaalsContact O-CA 3.31Å; G338-K344 WeakPolarHBondContact O-CA 3.08Å; G338-G345 PolarHBondContact O-N 2.88Å; G338-I346 PolarHBondContact N-O 3.26Å
339	S	83.2	Confident	86.7	Confident	94 Å²	94	64.8 Å²	64.8	66%	0.657	37%	0.367	S	S	*	.			trans	-109.6	-22.6	-173.2	52	0	0	0	0	114	V337	V337-S339 PolarHBondContact O-N 3.21Å
340	E	79.6	Confident	87.1	Confident	162 Å²	162	62.9 Å²	62.9	76%	0.757	36%	0.357	S	S	*	.	S	Bend	trans	-128.3	154	-171.7	-64.2	-171.7	176.4	0	0	112.7
341	G	80.9	Confident	87.7	Confident	58 Å²	58	55 Å²	55	60%	0.598	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	60.5	-149.5	176.4	0	0	0	0	0	113.9	L343 K344	G341-L343 PolarHBondContact O-N 2.95Å; G341-K344 WeakPolarHBondContact O-CB 3.32Å; G341-K344 PolarHBondContact O-N 3.27Å
342	P	80.3	Confident	88.1	Confident	64 Å²	64	54.1 Å²	54.1	42%	0.416	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-72.1	-11.1	-178.8	31.2	-36.4	0	0	0	113.5	K344	P342-K344 VanDerWaalsContact C-N 3.25Å; P342-K344 PolarHBondContact O-N 2.84Å
343	L	86.3	Confident	88.6	Confident	48 Å²	48	48.2 Å²	48.2	25%	0.251	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-84	0.7	177.5	-58.9	-178.7	0	0	0	112.9	G338 G341 G345 I346 Y395 F451	G338-L343 CarbonylContact C-O 3.4Å; G338-L343 VanDerWaalsContact CA-O 3.29Å; G338-L343 WeakPolarHBondContact CA-O 3.43Å; G341-L343 PolarHBondContact O-N 2.95Å; L343-G345 PolarHBondContact O-N 3.04Å; L343-G345 VanDerWaalsContact O-N 3.13Å; L343-I346 HydrophobicContact CD2-CD1 4.13Å; L343-I346 WeakPolarHBondContact O-CB 3.49Å; L343-I346 PolarHBondContact O-N 3.36Å; L343-Y395 HydrophobicContact CD1-CE1 4.17Å; L343-Y395 HydrophobicContact CD2-CD1 4.08Å; L343-Y395 HydrophobicContact CD2-CE1 4.31Å; L343-F451 HydrophobicContact CD2-CZ 4.37Å
344	K	88.1	Confident	88.8	Confident	115 Å²	115	52.2 Å²	52.2	50%	0.5	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	113.5	-175.5	-174.2	179.9	175.3	-171.4	0	112	G338 G341 P342	G338-K344 CarbonylContact O-C 3.59Å; G338-K344 VanDerWaalsContact O-CA 3.31Å; G338-K344 WeakPolarHBondContact O-CA 3.08Å; G341-K344 WeakPolarHBondContact O-CB 3.32Å; G341-K344 PolarHBondContact O-N 3.27Å; P342-K344 VanDerWaalsContact C-N 3.25Å; P342-K344 PolarHBondContact O-N 2.84Å
345	G	88.4	Confident	88.8	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.01	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	5.6	-178.1	0	0	0	0	0	115.2	P319 G338 L343	P319-G345 WeakPolarHBondContact CD-O 3.49Å; P319-G345 VanDerWaalsContact O-CA 3.22Å; P319-G345 WeakPolarHBondContact O-CA 3.48Å; G338-G345 PolarHBondContact O-N 2.88Å; L343-G345 PolarHBondContact O-N 3.04Å; L343-G345 VanDerWaalsContact O-N 3.13Å
346	I	94.7	Very high	88.4	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.01	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-81.1	128.5	171.2	-54	-168.1	0	0	0	108.6	V337 G338 L343 Y395 L397 F451 L519	V337-I346 WeakPolarHBondContact CA-O 3.3Å; G338-I346 PolarHBondContact N-O 3.26Å; L343-I346 HydrophobicContact CD2-CD1 4.13Å; L343-I346 WeakPolarHBondContact O-CB 3.49Å; L343-I346 PolarHBondContact O-N 3.36Å; I346-Y395 HydrophobicContact CG2-CD1 4.44Å; I346-L397 HydrophobicContact CG1-CB 4.25Å; I346-L397 HydrophobicContact CG1-CD1 4.37Å; I346-F451 HydrophobicContact CD1-CE1 3.93Å; I346-F451 HydrophobicContact CD1-CZ 3.71Å; I346-F451 HydrophobicContact CG2-CE1 4.18Å; I346-F451 HydrophobicContact CG2-CZ 4.29Å; I346-L519 HydrophobicContact CD1-CD1 3.8Å
347	Q	95.7	Very high	88.1	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	121.7	174.2	-67.9	164.9	79.2	0	0	108.7	T309 C311 Y328 V335 V337 I396	T309-Q347 PolarHBondContact O-NE2 3.05Å; C311-Q347 VanDerWaalsContact SG-CD 3.59Å; C311-Q347 PolarHBondContact SG-OE1 3.05Å; C311-Q347 VanDerWaalsContact SG-OE1 3.39Å; Y328-Q347 VanDerWaalsContact CE2-OE1 3.3Å; Y328-Q347 PolarHBondContact OH-OE1 2.88Å; V335-Q347 HydrophobicContact CB-CB 4.25Å; V335-Q347 HydrophobicContact CG1-CB 4.35Å; V335-Q347 HydrophobicContact CG2-CB 4.35Å; V335-Q347 HydrophobicContact CG2-CG 4.18Å; V337-Q347 HydrophobicContact CG2-CG 4.33Å; Q347-I396 WeakPolarHBondContact CB-O 3.32Å; Q347-I396 PolarHBondContact N-O 3.08Å; Q347-I396 PolarHBondContact O-N 3.15Å
348	I	95.1	Very high	87.9	Confident	20 Å²	20	46.1 Å²	46.1	10%	0.103	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	118.6	178	-42.3	176.1	0	0	0	107.2	V335 E336 M393 L394 Y395	V335-I348 WeakPolarHBondContact CA-O 3.3Å; E336-I348 HydrophobicContact CB-CB 4.44Å; E336-I348 PolarHBondContact N-O 2.98Å; E336-I348 WeakPolarHBondContact O-CB 3.36Å; E336-I348 PolarHBondContact O-N 3.32Å; I348-M393 HydrophobicContact CG2-CB 4.28Å; I348-M393 HydrophobicContact CG2-CE 3.57Å; I348-L394 WeakPolarHBondContact CA-O 3.45Å; I348-Y395 HydrophobicContact CD1-CD1 4.23Å; I348-Y395 HydrophobicContact CD1-CE1 3.75Å; I348-Y395 HydrophobicContact CG1-CD1 3.9Å; I348-Y395 HydrophobicContact CG1-CE1 3.9Å; I348-Y395 HydrophobicContact CG2-CD1 4.2Å; I348-Y395 HydrophobicContact CG2-CE1 3.95Å; I348-Y395 HydrophobicContact CG2-CE2 4.39Å
349	W	94.7	Very high	87.9	Confident	9 Å²	9	45.5 Å²	45.5	3%	0.034	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	149.7	178.2	-179	69.5	0	0	0	110.4	W306 F308 L333 V335 V351 P352 M393 L394 I396 I604	W306-W349 AromaticContact CD1-NE1 3.96Å; W306-W349 HydrophobicContact CD2-CH2 4.2Å; W306-W349 AromaticContact CD2-CZ2 3.53Å; W306-W349 HydrophobicContact CD2-CZ2 3.53Å; W306-W349 AromaticContact CE2-CZ2 3.74Å; W306-W349 HydrophobicContact CE3-CH2 4.03Å; W306-W349 AromaticContact CE3-CZ2 3.83Å; W306-W349 HydrophobicContact CE3-CZ2 3.83Å; W306-W349 AromaticContact CG-CZ2 3.87Å; W306-W349 HydrophobicContact CG-CZ2 3.87Å; W306-W349 HydrophobicContact CH2-CZ2 4.47Å; W306-W349 HydrophobicContact CZ2-CZ2 4.2Å; W306-W349 HydrophobicContact CZ3-CH2 4.33Å; W306-W349 HydrophobicContact CZ3-CZ2 4.3Å; F308-W349 HydrophobicContact CE1-CB 3.75Å; F308-W349 AromaticContact CE1-CG 3.9Å; F308-W349 HydrophobicContact CE1-CG 3.9Å; F308-W349 HydrophobicContact CZ-CB 3.83Å; F308-W349 AromaticContact CZ-CD1 3.83Å; F308-W349 AromaticContact CZ-CD2 3.86Å; F308-W349 HydrophobicContact CZ-CD2 3.86Å; F308-W349 HydrophobicContact CZ-CE3 4.45Å; F308-W349 AromaticContact CZ-CG 3.56Å; F308-W349 HydrophobicContact CZ-CG 3.56Å; L333-W349 VanDerWaalsContact CD1-CD1 3.49Å; L333-W349 HydrophobicContact CD1-CG 4.45Å; V335-W349 HydrophobicContact CG1-CB 4.44Å; W349-V351 HydrophobicContact CE3-CG2 4.24Å; W349-V351 HydrophobicContact CZ3-CB 4.49Å; W349-V351 HydrophobicContact CZ3-CG2 3.86Å; W349-P352 HydrophobicContact CZ2-CG 4.28Å; W349-M393 WeakPolarHBondContact O-CA 3.3Å; W349-L394 HydrophobicContact CE3-CB 4.35Å; W349-L394 HydrophobicContact CE3-CD1 3.98Å; W349-L394 HydrophobicContact CE3-CG 4.27Å; W349-L394 HydrophobicContact CZ3-CD1 4.07Å; W349-L394 PolarHBondContact N-O 3.41Å; W349-L394 PolarHBondContact O-N 3.25Å; W349-I396 HydrophobicContact CB-CD1 4.23Å; W349-I604 HydrophobicContact CE3-CD1 4.01Å; W349-I604 HydrophobicContact CH2-CG2 4.09Å; W349-I604 HydrophobicContact CZ3-CD1 3.9Å; W349-I604 HydrophobicContact CZ3-CG2 4.16Å
350	K	93.4	Very high	88.3	Confident	102 Å²	102	41.6 Å²	41.6	44%	0.443	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	122.6	-176.9	-168.1	175.7	-158.1	-145.6	0	110.6	D391 D392 M393	K350-D391 VanDerWaalsContact CE-OD1 3.22Å; K350-D391 WeakPolarHBondContact CE-OD1 3.36Å; K350-D391 IonicContact NZ-OD1 3.64Å; K350-D391 PolarHBondContact NZ-OD1 3.06Å; K350-D392 WeakPolarHBondContact CA-O 3.39Å; K350-M393 HydrophobicContact CB-CE 4.02Å; K350-M393 HydrophobicContact CB-SD 3.97Å; K350-M393 HydrophobicContact CD-SD 3.92Å; K350-M393 HydrophobicContact CG-CE 4.34Å; K350-M393 HydrophobicContact CG-SD 3.63Å
351	V	91.1	Very high	88.9	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.199	C	C	.	.			trans	-65.7	122.8	-176.6	178.9	0	0	0	0	110.1	W349 A353 Y357 L388 E389 D391 D392 L394	W349-V351 HydrophobicContact CE3-CG2 4.24Å; W349-V351 HydrophobicContact CZ3-CB 4.49Å; W349-V351 HydrophobicContact CZ3-CG2 3.86Å; V351-A353 WeakPolarHBondContact CG1-O 3.22Å; V351-Y357 HydrophobicContact CG1-CE2 3.75Å; V351-L388 HydrophobicContact CG1-CB 3.9Å; V351-L388 HydrophobicContact CG1-CD1 4.48Å; V351-L388 HydrophobicContact CG2-CB 4.17Å; V351-L388 HydrophobicContact CG2-CD1 3.89Å; V351-E389 WeakPolarHBondContact CB-O 3.41Å; V351-E389 WeakPolarHBondContact CG1-O 3.42Å; V351-D391 PolarHBondContact O-N 3.34Å; V351-D392 HydrophobicContact CB-CB 4.06Å; V351-D392 HydrophobicContact CG2-CB 3.71Å; V351-D392 PolarHBondContact N-O 3.38Å; V351-L394 HydrophobicContact CG2-CG 4.08Å
352	P	86.8	Confident	89.6	Confident	41 Å²	41	33.5 Å²	33.5	27%	0.266	18%	0.18	S	C	.	.			trans	-80.4	-23.9	-168.8	30.2	-35.4	0	0	0	114.4	W306 W349 K390	W306-P352 HydrophobicContact CH2-CG 3.78Å; W306-P352 HydrophobicContact CZ2-CG 3.77Å; W349-P352 HydrophobicContact CZ2-CG 4.28Å; P352-K390 VanDerWaalsContact O-CE 3.32Å; P352-K390 WeakPolarHBondContact O-CE 3.36Å; P352-K390 WeakPolarHBondContact O-CG 3.18Å
353	A	85.8	Confident	90.3	Very high	15 Å²	15	30.4 Å²	30.4	12%	0.124	16%	0.16	C	C	.	.	S	Bend	trans	-147	156.9	-179.4	0	0	0	0	0	111.3	F300 V351 D355 Y357	F300-A353 HydrophobicContact CE2-CB 4.21Å; F300-A353 HydrophobicContact CZ-CB 3.96Å; V351-A353 WeakPolarHBondContact CG1-O 3.22Å; A353-D355 PolarHBondContact O-N 2.9Å; A353-Y357 PolarHBondContact O-OH 2.86Å
354	T	86.9	Confident	90.8	Very high	97 Å²	97	28.1 Å²	28.1	60%	0.595	15%	0.148	S	C	*	.	S	Bend	trans	-80.6	109.3	170.4	-59.8	0	0	0	0	107.3	L388 E389 K390	T354-L388 WeakPolarHBondContact CA-O 3.41Å; T354-E389 HydrophobicContact CG2-CG 4.46Å; T354-K390 WeakPolarHBondContact OG1-CB 3.46Å; T354-K390 PolarHBondContact OG1-N 2.79Å
355	D	85.4	Confident	91.1	Very high	69 Å²	69	22.7 Å²	22.7	37%	0.369	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	175	-176.2	-154.2	-1.4	0	0	0	111.4	A353 Y357 L388 H606	A353-D355 PolarHBondContact O-N 2.9Å; D355-Y357 HydrophobicContact CB-CD2 4.43Å; D355-Y357 HydrophobicContact CB-CE2 3.85Å; D355-Y357 WeakPolarHBondContact O-CD2 3.21Å; D355-L388 PolarHBondContact N-O 3.1Å; D355-L388 VanDerWaalsContact N-O 3.17Å; D355-L388 PolarHBondContact O-N 3.35Å; D355-H606 IonicContact OD2-CE1 3.58Å; D355-H606 PolarHBondContact OD2-CE1 3.47Å; D355-H606 IonicContact OD2-CG 3.83Å; D355-H606 IonicContact OD2-ND1 2.67Å; D355-H606 PolarHBondContact OD2-ND1 2.79Å
356	T	83.8	Confident	91.3	Very high	33 Å²	33	22.6 Å²	22.6	20%	0.202	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	129.6	167.8	-44.8	0	0	0	0	109.9	I385 N387 Y607	T356-I385 HydrophobicContact CG2-CG2 3.38Å; T356-N387 WeakPolarHBondContact CG2-OD1 3.39Å; T356-N387 PolarHBondContact OG1-OD1 2.89Å; T356-N387 VanDerWaalsContact OG1-OD1 3.05Å; T356-Y607 HydrophobicContact CG2-CD1 3.55Å; T356-Y607 HydrophobicContact CG2-CE1 4.48Å; T356-Y607 HydrophobicContact CG2-CG 4.07Å; T356-Y607 PolarHBondContact O-N 2.95Å
357	Y	86.9	Confident	91.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	139.3	-179.5	-72.1	-88.5	0	0	0	111.3	W306 V351 A353 D355 I385 F386 L388 I604 K605 H606	W306-Y357 HydrophobicContact CH2-CE1 4.34Å; W306-Y357 HydrophobicContact CZ3-CD1 4.45Å; W306-Y357 AromaticContact CZ3-CE1 3.84Å; W306-Y357 HydrophobicContact CZ3-CE1 3.84Å; V351-Y357 HydrophobicContact CG1-CE2 3.75Å; A353-Y357 PolarHBondContact O-OH 2.86Å; D355-Y357 HydrophobicContact CB-CD2 4.43Å; D355-Y357 HydrophobicContact CB-CE2 3.85Å; D355-Y357 WeakPolarHBondContact O-CD2 3.21Å; Y357-I385 WeakPolarHBondContact O-CA 3.4Å; Y357-F386 PolarHBondContact N-O 3.15Å; Y357-F386 PolarHBondContact O-N 2.66Å; Y357-L388 HydrophobicContact CD2-CB 3.81Å; Y357-L388 HydrophobicContact CD2-CD1 3.7Å; Y357-L388 HydrophobicContact CD2-CG 3.92Å; Y357-L388 HydrophobicContact CE2-CB 4.19Å; Y357-L388 HydrophobicContact CE2-CD1 4.45Å; Y357-L388 HydrophobicContact CG-CD1 3.93Å; Y357-L388 HydrophobicContact CG-CG 4.49Å; Y357-I604 HydrophobicContact CD1-CG2 3.84Å; Y357-I604 HydrophobicContact CG-CG2 4.43Å; Y357-K605 CarbonylContact C-O 3.57Å; Y357-K605 WeakPolarHBondContact CA-O 3.46Å; Y357-K605 WeakPolarHBondContact CD1-O 3.49Å; Y357-H606 AromaticContact CE1-CD2 3.61Å; Y357-H606 AromaticContact CE1-CE1 3.65Å; Y357-H606 AromaticContact CE1-CG 3.97Å; Y357-H606 AromaticContact CE1-ND1 3.98Å; Y357-H606 AromaticContact CE1-NE2 3.38Å; Y357-H606 WeakPolarHBondContact CE1-NE2 3.39Å; Y357-H606 AromaticContact CZ-CE1 3.51Å; Y357-H606 AromaticContact CZ-NE2 3.61Å; Y357-H606 PolarHBondContact OH-CE1 3.26Å; Y357-H606 PolarHBondContact OH-NE2 2.73Å; Y357-H606 VanDerWaalsContact OH-NE2 3.15Å
358	S	87.9	Confident	90.8	Very high	24 Å²	24	25.1 Å²	25.1	17%	0.168	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	125.5	169.9	-171.4	0	0	0	0	108.6	L383 I604 K605	S358-L383 WeakPolarHBondContact OG-CD1 3.38Å; S358-I604 WeakPolarHBondContact O-CA 3.35Å; S358-K605 PolarHBondContact N-O 3.44Å; S358-K605 PolarHBondContact O-N 2.83Å
359	I	91.6	Very high	90.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	112.6	-177.6	-54.8	-178.3	0	0	0	108.2	L383 G384 F386 L394 V450 I462 V602 I604	I359-L383 VanDerWaalsContact C-CD1 3.5Å; I359-L383 WeakPolarHBondContact O-CA 3.29Å; I359-L383 VanDerWaalsContact O-CD1 3.31Å; I359-L383 WeakPolarHBondContact O-CD1 3.11Å; I359-G384 PolarHBondContact N-O 3Å; I359-G384 PolarHBondContact O-N 3Å; I359-F386 HydrophobicContact CB-CD2 4.34Å; I359-F386 HydrophobicContact CB-CE2 4.47Å; I359-F386 HydrophobicContact CD1-CD2 3.78Å; I359-F386 HydrophobicContact CD1-CE2 4.38Å; I359-F386 HydrophobicContact CD1-CG 4.42Å; I359-F386 HydrophobicContact CG1-CD2 4.11Å; I359-L394 HydrophobicContact CD1-CD1 4.31Å; I359-V450 HydrophobicContact CD1-CG1 4.43Å; I359-V450 HydrophobicContact CG2-CG1 4.4Å; I359-V450 HydrophobicContact CG2-CG2 4.35Å; I359-I462 HydrophobicContact CB-CD1 4.25Å; I359-I462 HydrophobicContact CG2-CD1 4.2Å; I359-I462 WeakPolarHBondContact O-CD1 3.42Å; I359-V602 HydrophobicContact CG2-CG1 4.04Å; I359-I604 HydrophobicContact CG1-CG1 4.23Å; I359-I604 HydrophobicContact CG1-CG2 4.41Å; I359-I604 HydrophobicContact CG2-CG1 4.3Å
360	S	90.6	Very high	89.4	Confident	12 Å²	12	23.9 Å²	23.9	8%	0.084	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	132.1	161	50.3	0	0	0	0	110.4	Y362 V382 V602 N603	S360-Y362 WeakPolarHBondContact OG-CE2 3.41Å; S360-V382 WeakPolarHBondContact CA-O 3.37Å; S360-V602 CarbonylContact O-C 3.53Å; S360-V602 VanDerWaalsContact O-CA 3.28Å; S360-V602 WeakPolarHBondContact O-CA 3.36Å; S360-V602 WeakPolarHBondContact O-CG1 3.45Å; S360-N603 PolarHBondContact N-O 3.39Å; S360-N603 PolarHBondContact O-N 3.07Å
361	G	92.2	Very high	88.3	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	140	168.6	0	0	0	0	0	110.1	S381 V382 A464	G361-S381 WeakPolarHBondContact O-CA 3.45Å; G361-V382 PolarHBondContact N-O 3.31Å; G361-V382 PolarHBondContact O-N 2.97Å; G361-A464 VanDerWaalsContact C-CB 3.41Å; G361-A464 WeakPolarHBondContact O-CB 3.2Å
362	Y	95.3	Very high	86.7	Confident	50 Å²	50	25.4 Å²	25.4	20%	0.196	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	121.2	178.6	-54.2	-108.2	0	0	0	108	S360 V380 S381 T448 V595 M596 G600 E601	S360-Y362 WeakPolarHBondContact OG-CE2 3.41Å; Y362-V380 CarbonylContact C-O 3.56Å; Y362-V380 WeakPolarHBondContact CA-O 3.49Å; Y362-S381 VanDerWaalsContact CD1-OG 3.27Å; Y362-S381 WeakPolarHBondContact CD1-OG 2.98Å; Y362-S381 WeakPolarHBondContact CE1-OG 3.19Å; Y362-T448 WeakPolarHBondContact O-CB 3.33Å; Y362-T448 PolarHBondContact O-OG1 3.27Å; Y362-V595 HydrophobicContact CD1-CG2 3.9Å; Y362-V595 HydrophobicContact CE1-CG2 4.18Å; Y362-M596 HydrophobicContact CD1-CE 4.18Å; Y362-M596 HydrophobicContact CG-CE 4.13Å; Y362-G600 WeakPolarHBondContact O-CA 3.47Å; Y362-E601 HydrophobicContact CD2-CG 3.37Å; Y362-E601 HydrophobicContact CE2-CG 3.92Å; Y362-E601 HydrophobicContact CG-CG 3.88Å; Y362-E601 PolarHBondContact N-O 3.48Å; Y362-E601 PolarHBondContact O-N 2.66Å
363	G	95.5	Very high	85.1	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-71.2	167.8	170.7	0	0	0	0	0	111.5	G379 V380 A464 A465 M596	G363-G379 WeakPolarHBondContact O-CA 3.07Å; G363-V380 PolarHBondContact N-O 2.03Å; G363-A464 WeakPolarHBondContact CA-O 3.49Å; G363-A465 WeakPolarHBondContact CA-O 3.4Å; G363-M596 VanDerWaalsContact O-CB 3.32Å; G363-M596 WeakPolarHBondContact O-CB 3.22Å; G363-M596 VanDerWaalsContact O-CG 3.3Å; G363-M596 WeakPolarHBondContact O-CG 3.34Å
364	A	96.4	Very high	83.6	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-92	156.8	-177.4	0	0	0	0	0	113.4	Q400 G446 G466 G467	A364-Q400 VanDerWaalsContact CB-O 3.23Å; A364-Q400 WeakPolarHBondContact CB-O 3.49Å; A364-G446 WeakPolarHBondContact CB-O 3.12Å; A364-G446 PolarHBondContact N-O 3.05Å; A364-G466 CarbonylContact O-C 3.56Å; A364-G466 VanDerWaalsContact O-CA 3.24Å; A364-G466 WeakPolarHBondContact O-CA 3.45Å; A364-G467 PolarHBondContact O-N 2.84Å
365	A	94.8	Very high	82.6	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-73.5	155.7	177	0	0	0	0	0	113.6	R376 S377 Q401 G402 G445 M596 E597 G598	A365-R376 HydrophobicContact CB-CB 4.4Å; A365-S377 WeakPolarHBondContact CA-O 3.48Å; A365-S377 WeakPolarHBondContact CB-O 3.4Å; A365-Q401 HydrophobicContact CB-CG 4.41Å; A365-Q401 WeakPolarHBondContact O-CA 3.18Å; A365-G402 PolarHBondContact O-N 3.5Å; A365-G445 VanDerWaalsContact O-CA 3.29Å; A365-G445 WeakPolarHBondContact O-CA 3.37Å; A365-M596 WeakPolarHBondContact CB-O 3.37Å; A365-E597 WeakPolarHBondContact CB-O 3.37Å; A365-G598 PolarHBondContact N-O 3.23Å
366	G	93	Very high	82.6	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-73.6	158.6	170.8	0	0	0	0	0	114	R376 S377 G467 G468	G366-R376 WeakPolarHBondContact O-CD 3.43Å; G366-R376 WeakPolarHBondContact O-CG 3.48Å; G366-R376 PolarHBondContact O-NH1 3.35Å; G366-S377 PolarHBondContact N-O 2.71Å; G366-G467 WeakPolarHBondContact CA-O 3.41Å; G366-G468 WeakPolarHBondContact CA-O 3.38Å
367	G	90.8	Very high	82.7	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-70.7	148.3	170.5	0	0	0	0	0	112.5	G402 D404 G443 R470	G367-G402 WeakPolarHBondContact CA-O 3.47Å; G367-D404 WeakPolarHBondContact CA-OD1 3.34Å; G367-G443 WeakPolarHBondContact CA-O 3.42Å; G367-G443 PolarHBondContact N-O 2.81Å; G367-R470 PolarHBondContact O-N 2.99Å
368	K	89.4	Confident	82.9	Confident	55 Å²	55	34 Å²	34	24%	0.239	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-75.3	149	172.8	-66.3	-172	169.5	-165.2	0	111.2	T373 M374 R376 D404 A405 G442	K368-T373 PolarHBondContact NZ-O 2.73Å; K368-M374 PolarHBondContact NZ-O 3.02Å; K368-R376 HydrophobicContact CG-CG 3.99Å; K368-D404 PolarHBondContact N-OD1 3.17Å; K368-A405 VanDerWaalsContact O-CB 3.23Å; K368-A405 WeakPolarHBondContact O-CB 3.46Å; K368-A405 PolarHBondContact O-N 2.87Å; K368-G442 WeakPolarHBondContact O-CA 3.18Å
369	G	85.6	Confident	83	Confident	4 Å²	4	32.9 Å²	32.9	4%	0.041	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-80.8	170	170.2	0	0	0	0	0	112.4	A405 G440 R470	G369-A405 VanDerWaalsContact C-CB 3.48Å; G369-G440 CarbonylContact C-O 3.2Å; G369-G440 VanDerWaalsContact CA-O 3.28Å; G369-G440 WeakPolarHBondContact CA-O 3.27Å; G369-R470 WeakPolarHBondContact CA-O 3.4Å
370	G	74.9	Confident	82.9	Confident	0 Å²	0	33 Å²	33	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	-68.4	157.3	157.4	0	0	0	0	0	109.8	N372 A405 G440 Y472	G370-N372 PolarHBondContact O-N 2.79Å; G370-A405 VanDerWaalsContact N-CB 3.32Å; G370-G440 PolarHBondContact N-O 2.83Å; G370-Y472 CarbonylContact O-C 3.36Å; G370-Y472 VanDerWaalsContact O-C 3.3Å; G370-Y472 WeakPolarHBondContact O-CA 3.5Å
371	K	70.4	Confident	83	Confident	96 Å²	96	33 Å²	33	42%	0.417	16%	0.162	S	C	.	.	S	Bend	trans	59.6	-35.1	-179.1	-159.4	174.2	-179.9	174.2	0	116.4	C417 E425 Y472	K371-C417 PolarHBondContact N-O 3.39Å; K371-E425 IonicContact NZ-OE1 2.71Å; K371-E425 PolarHBondContact NZ-OE1 2.9Å; K371-E425 IonicContact NZ-OE2 3.81Å; K371-E425 PolarHBondContact NZ-OE2 3.33Å; K371-Y472 WeakPolarHBondContact CB-O 3.47Å
372	N	56.9	Low	82.8	Confident	37 Å²	37	33 Å²	33	20%	0.198	16%	0.162	C	C	.	.			trans	-90	93.5	168.4	-176.6	1.9	0	0	0	110.7	G370	G370-N372 PolarHBondContact O-N 2.79Å
373	T	52.8	Low	82.5	Confident	82 Å²	82	32.1 Å²	32.1	50%	0.503	16%	0.16	S	C	.	.			trans	-94.4	-10.7	-172.1	54	0	0	0	0	114.9	K368	K368-T373 PolarHBondContact NZ-O 2.73Å
374	M	54.5	Low	81.9	Confident	152 Å²	152	32.1 Å²	32.1	75%	0.749	16%	0.16	S	C	*	.	S	Bend	trans	-84	-62.8	-165.5	-69.3	-71.1	-178	0	0	113.2	K368	K368-M374 PolarHBondContact NZ-O 3.02Å
375	M	67	Low	81.4	Confident	107 Å²	107	32.9 Å²	32.9	53%	0.527	16%	0.164	S	C	.	.			trans	-118	145.5	-165.3	-59.8	-172.3	-176.1	0	0	113.9
376	R	84	Confident	81.2	Confident	36 Å²	36	33.1 Å²	33.1	14%	0.136	17%	0.165	C	C	.	.			trans	-88	176.9	168.1	-63.4	-178.6	178	-71.6	-6.9	109.8	A365 G366 K368 Q401 D404 R470 E597	A365-R376 HydrophobicContact CB-CB 4.4Å; G366-R376 WeakPolarHBondContact O-CD 3.43Å; G366-R376 WeakPolarHBondContact O-CG 3.48Å; G366-R376 PolarHBondContact O-NH1 3.35Å; K368-R376 HydrophobicContact CG-CG 3.99Å; R376-Q401 VanDerWaalsContact NE-NE2 3.14Å; R376-D404 IonicContact CZ-OD1 3.88Å; R376-D404 VanDerWaalsContact CZ-OD1 3.29Å; R376-D404 IonicContact CZ-OD2 2.89Å; R376-D404 IonicContact NH1-OD1 2.65Å; R376-D404 PolarHBondContact NH1-OD1 3.03Å; R376-D404 IonicContact NH1-OD2 2.66Å; R376-D404 VanDerWaalsContact NH2-CG 3.34Å; R376-D404 IonicContact NH2-OD1 2.72Å; R376-D404 PolarHBondContact NH2-OD1 3.11Å; R376-D404 VanDerWaalsContact NH2-OD1 3.07Å; R376-D404 IonicContact NH2-OD2 3.48Å; R376-D404 PolarHBondContact NH2-OD2 2.82Å; R376-R470 PolarHBondContact O-NE 2.67Å; R376-R470 PolarHBondContact O-NH2 2.88Å; R376-E597 WeakPolarHBondContact CD-O 3.46Å
377	S	86.9	Confident	81	Confident	8 Å²	8	39 Å²	39	6%	0.056	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-90.9	133.4	149.8	-161.9	0	0	0	0	108.6	A365 G366 G468 D577 K594	A365-S377 WeakPolarHBondContact CA-O 3.48Å; A365-S377 WeakPolarHBondContact CB-O 3.4Å; G366-S377 PolarHBondContact N-O 2.71Å; S377-G468 WeakPolarHBondContact CB-O 3.46Å; S377-D577 WeakPolarHBondContact CB-OD1 3.25Å; S377-D577 PolarHBondContact OG-OD1 2.87Å; S377-K594 WeakPolarHBondContact OG-CE 3.49Å
378	H	91.1	Very high	81	Confident	52 Å²	52	39.2 Å²	39.2	24%	0.241	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-74.6	147.9	-178.7	-62.4	67.8	0	0	0	111.1	G467 K594 M596 E597	H378-G467 WeakPolarHBondContact O-CA 3.46Å; H378-K594 HydrophobicContact CB-CB 3.96Å; H378-K594 HydrophobicContact CB-CD 4.36Å; H378-K594 HydrophobicContact CB-CG 4.01Å; H378-M596 CarbonylContact C-O 3.58Å; H378-M596 WeakPolarHBondContact CA-O 3.29Å; H378-E597 WeakPolarHBondContact CD2-CG 3.4Å; H378-E597 IonicContact CD2-OE1 3.61Å; H378-E597 IonicContact CE1-OE1 3.78Å; H378-E597 WeakPolarHBondContact NE2-CG 3.34Å; H378-E597 IonicContact NE2-OE1 3.78Å; H378-E597 PolarHBondContact NE2-OE1 2.89Å
379	G	88.7	Confident	81	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	149.4	165.2	0	0	0	0	0	111.7	G363 V595 M596	G363-G379 WeakPolarHBondContact O-CA 3.07Å; G379-V595 PolarHBondContact O-N 2.91Å; G379-M596 PolarHBondContact N-O 3.01Å; G379-M596 PolarHBondContact O-N 2.85Å
380	V	91	Very high	81.2	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	142.1	-176.9	-174.6	0	0	0	0	110.4	Y362 G363 A464 A465 E482 S580 A592 L593 K594	Y362-V380 CarbonylContact C-O 3.56Å; Y362-V380 WeakPolarHBondContact CA-O 3.49Å; G363-V380 PolarHBondContact N-O 2.03Å; V380-A464 WeakPolarHBondContact O-CB 3.46Å; V380-A465 HydrophobicContact CB-CB 4.24Å; V380-A465 HydrophobicContact CG2-CB 4.04Å; V380-A465 PolarHBondContact N-O 3.15Å; V380-E482 WeakPolarHBondContact CG2-OE2 3.31Å; V380-S580 WeakPolarHBondContact CG1-OG 3.39Å; V380-A592 HydrophobicContact CG1-CB 3.83Å; V380-L593 CarbonylContact C-O 3.6Å; V380-L593 WeakPolarHBondContact CA-O 3.17Å; V380-K594 HydrophobicContact CG2-CG 4.29Å
381	S	92.8	Very high	81.8	Confident	14 Å²	14	52.2 Å²	52.2	10%	0.098	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	140.5	170.1	-172.3	0	0	0	0	111.2	G361 Y362 A592 L593	G361-S381 WeakPolarHBondContact O-CA 3.45Å; Y362-S381 VanDerWaalsContact CD1-OG 3.27Å; Y362-S381 WeakPolarHBondContact CD1-OG 2.98Å; Y362-S381 WeakPolarHBondContact CE1-OG 3.19Å; S381-A592 WeakPolarHBondContact O-CA 3.46Å; S381-L593 PolarHBondContact N-O 2.84Å; S381-L593 PolarHBondContact O-N 2.01Å
382	V	87.8	Confident	82.8	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	132.5	174.9	-177.7	0	0	0	0	108.4	S360 G361 I462 A464 L484 I582 L588	S360-V382 WeakPolarHBondContact CA-O 3.37Å; G361-V382 PolarHBondContact N-O 3.31Å; G361-V382 PolarHBondContact O-N 2.97Å; V382-I462 HydrophobicContact CB-CG2 4.04Å; V382-I462 HydrophobicContact CG1-CD1 4.27Å; V382-I462 HydrophobicContact CG1-CG1 4.31Å; V382-I462 HydrophobicContact CG1-CG2 4.13Å; V382-A464 HydrophobicContact CG2-CB 4.25Å; V382-L484 HydrophobicContact CG1-CD1 4.42Å; V382-L484 HydrophobicContact CG2-CD1 4.36Å; V382-I582 HydrophobicContact CG1-CB 4.38Å; V382-L588 HydrophobicContact CG1-CD1 4.36Å
383	L	87.9	Confident	84.5	Confident	30 Å²	30	51.2 Å²	51.2	16%	0.157	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	124.8	179.8	176.3	48.7	0	0	0	110.5	S358 I359 Y589	S358-L383 WeakPolarHBondContact OG-CD1 3.38Å; I359-L383 VanDerWaalsContact C-CD1 3.5Å; I359-L383 WeakPolarHBondContact O-CA 3.29Å; I359-L383 VanDerWaalsContact O-CD1 3.31Å; I359-L383 WeakPolarHBondContact O-CD1 3.11Å; L383-Y589 HydrophobicContact CD2-CD1 3.65Å; L383-Y589 HydrophobicContact CD2-CE1 4.33Å; L383-Y589 HydrophobicContact CG-CD1 4.01Å; L383-Y589 HydrophobicContact CG-CG 4.43Å; L383-Y589 PolarHBondContact O-N 3.43Å
384	G	84.1	Confident	86.5	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	150.2	-178.2	0	0	0	0	0	113.5	I359 I587	I359-G384 PolarHBondContact N-O 3Å; I359-G384 PolarHBondContact O-N 3Å; G384-I587 CarbonylContact C-O 3.56Å; G384-I587 WeakPolarHBondContact CA-O 3.38Å
385	I	85.7	Confident	88.5	Confident	16 Å²	16	41.8 Å²	41.8	8%	0.082	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	128.5	-178.9	-58.8	160.7	0	0	0	109	T356 Y357 G586 I587 Y589 Y607	T356-I385 HydrophobicContact CG2-CG2 3.38Å; Y357-I385 WeakPolarHBondContact O-CA 3.4Å; I385-G586 CarbonylContact O-C 3.57Å; I385-G586 WeakPolarHBondContact O-CA 3.3Å; I385-I587 PolarHBondContact N-O 2.76Å; I385-I587 PolarHBondContact O-N 2.8Å; I385-Y589 HydrophobicContact CD1-CD2 3.67Å; I385-Y589 HydrophobicContact CD1-CE2 4.36Å; I385-Y589 HydrophobicContact CD1-CG 4.35Å; I385-Y607 HydrophobicContact CD1-CD2 3.88Å; I385-Y607 HydrophobicContact CD1-CE1 4.35Å; I385-Y607 HydrophobicContact CD1-CE2 3.42Å; I385-Y607 VanDerWaalsContact CD1-CE2 3.42Å; I385-Y607 HydrophobicContact CG1-CD2 3.93Å; I385-Y607 HydrophobicContact CG1-CE2 4.01Å; I385-Y607 HydrophobicContact CG1-CG 4.39Å; I385-Y607 HydrophobicContact CG2-CD1 3.83Å; I385-Y607 HydrophobicContact CG2-CD2 4.22Å; I385-Y607 HydrophobicContact CG2-CE1 4.18Å; I385-Y607 HydrophobicContact CG2-CG 3.84Å
386	F	90.2	Very high	89.9	Confident	5 Å²	5	36.7 Å²	36.7	2%	0.022	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	139.7	-176.3	-63	-89.6	0	0	0	111.7	Y357 I359 L388 L461 I462 I582	Y357-F386 PolarHBondContact N-O 3.15Å; Y357-F386 PolarHBondContact O-N 2.66Å; I359-F386 HydrophobicContact CB-CD2 4.34Å; I359-F386 HydrophobicContact CB-CE2 4.47Å; I359-F386 HydrophobicContact CD1-CD2 3.78Å; I359-F386 HydrophobicContact CD1-CE2 4.38Å; I359-F386 HydrophobicContact CD1-CG 4.42Å; I359-F386 HydrophobicContact CG1-CD2 4.11Å; F386-L388 HydrophobicContact CB-CD2 4.17Å; F386-L388 HydrophobicContact CB-CG 4.45Å; F386-L461 HydrophobicContact CD1-CD2 4.22Å; F386-L461 HydrophobicContact CE1-CB 4.01Å; F386-L461 HydrophobicContact CE1-CD2 4.16Å; F386-L461 HydrophobicContact CZ-CB 4.11Å; F386-L461 WeakPolarHBondContact CZ-O 3.08Å; F386-I462 HydrophobicContact CE2-CD1 3.78Å; F386-I462 HydrophobicContact CE2-CG1 3.85Å; F386-I462 HydrophobicContact CZ-CD1 4.3Å; F386-I462 HydrophobicContact CZ-CG1 3.88Å; F386-I582 HydrophobicContact CZ-CG1 4.26Å
387	N	89.3	Confident	90.5	Very high	124 Å²	124	35.1 Å²	35.1	66%	0.663	17%	0.174	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83.1	125.5	164.4	-62.5	-27.7	0	0	0	108.7	T356	T356-N387 WeakPolarHBondContact CG2-OD1 3.39Å; T356-N387 PolarHBondContact OG1-OD1 2.89Å; T356-N387 VanDerWaalsContact OG1-OD1 3.05Å
388	L	89.9	Confident	90.9	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	144.8	178.9	-56.1	178.8	0	0	0	110.1	V351 T354 D355 Y357 F386 L394	V351-L388 HydrophobicContact CG1-CB 3.9Å; V351-L388 HydrophobicContact CG1-CD1 4.48Å; V351-L388 HydrophobicContact CG2-CB 4.17Å; V351-L388 HydrophobicContact CG2-CD1 3.89Å; T354-L388 WeakPolarHBondContact CA-O 3.41Å; D355-L388 PolarHBondContact N-O 3.1Å; D355-L388 VanDerWaalsContact N-O 3.17Å; D355-L388 PolarHBondContact O-N 3.35Å; Y357-L388 HydrophobicContact CD2-CB 3.81Å; Y357-L388 HydrophobicContact CD2-CD1 3.7Å; Y357-L388 HydrophobicContact CD2-CG 3.92Å; Y357-L388 HydrophobicContact CE2-CB 4.19Å; Y357-L388 HydrophobicContact CE2-CD1 4.45Å; Y357-L388 HydrophobicContact CG-CD1 3.93Å; Y357-L388 HydrophobicContact CG-CG 4.49Å; F386-L388 HydrophobicContact CB-CD2 4.17Å; F386-L388 HydrophobicContact CB-CG 4.45Å; L388-L394 HydrophobicContact CD1-CD1 3.89Å; L388-L394 HydrophobicContact CD1-CG 4.49Å; L388-L394 HydrophobicContact CD2-CD2 4.28Å
389	E	90.3	Very high	91.2	Very high	137 Å²	137	32.3 Å²	32.3	64%	0.64	16%	0.16	S	C	*	.			trans	-90.8	146.9	176.8	-68.8	-173.7	-148.4	0	0	110.9	V351 T354 D391 D392	V351-E389 WeakPolarHBondContact CB-O 3.41Å; V351-E389 WeakPolarHBondContact CG1-O 3.42Å; T354-E389 HydrophobicContact CG2-CG 4.46Å; E389-D391 PolarHBondContact O-N 3.21Å; E389-D392 PolarHBondContact N-OD2 2.93Å; E389-D392 WeakPolarHBondContact O-CB 3.18Å; E389-D392 PolarHBondContact O-N 2.62Å
390	K	88.6	Confident	91.5	Very high	113 Å²	113	32.8 Å²	32.8	49%	0.491	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	138.9	173.7	-171.9	-180	171.3	-179.9	0	109.6	P352 T354 D392	P352-K390 VanDerWaalsContact O-CE 3.32Å; P352-K390 WeakPolarHBondContact O-CE 3.36Å; P352-K390 WeakPolarHBondContact O-CG 3.18Å; T354-K390 WeakPolarHBondContact OG1-CB 3.46Å; T354-K390 PolarHBondContact OG1-N 2.79Å; K390-D392 PolarHBondContact O-N 2.9Å
391	D	88.3	Confident	91.7	Very high	82 Å²	82	34.8 Å²	34.8	44%	0.439	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	6.9	-179.4	-57.2	-67.9	0	0	0	114.1	K350 V351 E389	K350-D391 VanDerWaalsContact CE-OD1 3.22Å; K350-D391 WeakPolarHBondContact CE-OD1 3.36Å; K350-D391 IonicContact NZ-OD1 3.64Å; K350-D391 PolarHBondContact NZ-OD1 3.06Å; V351-D391 PolarHBondContact O-N 3.34Å; E389-D391 PolarHBondContact O-N 3.21Å
392	D	90.8	Very high	91.8	Very high	48 Å²	48	34.2 Å²	34.2	26%	0.257	17%	0.168	S	C	.	.			trans	-55	144.4	162.9	-96.8	-29.1	0	0	0	110.4	K350 V351 E389 K390	K350-D392 WeakPolarHBondContact CA-O 3.39Å; V351-D392 HydrophobicContact CB-CB 4.06Å; V351-D392 HydrophobicContact CG2-CB 3.71Å; V351-D392 PolarHBondContact N-O 3.38Å; E389-D392 PolarHBondContact N-OD2 2.93Å; E389-D392 WeakPolarHBondContact O-CB 3.18Å; E389-D392 PolarHBondContact O-N 2.62Å; K390-D392 PolarHBondContact O-N 2.9Å
393	M	93.3	Very high	91.9	Very high	64 Å²	64	36 Å²	36	32%	0.315	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	111.1	174.8	-53.7	-58.4	-54	0	0	109.6	I348 W349 K350 Y395	I348-M393 HydrophobicContact CG2-CB 4.28Å; I348-M393 HydrophobicContact CG2-CE 3.57Å; W349-M393 WeakPolarHBondContact O-CA 3.3Å; K350-M393 HydrophobicContact CB-CE 4.02Å; K350-M393 HydrophobicContact CB-SD 3.97Å; K350-M393 HydrophobicContact CD-SD 3.92Å; K350-M393 HydrophobicContact CG-CE 4.34Å; K350-M393 HydrophobicContact CG-SD 3.63Å; M393-Y395 HydrophobicContact CB-CE2 3.87Å; M393-Y395 WeakPolarHBondContact O-CD2 3.31Å; M393-Y395 WeakPolarHBondContact O-CE2 3.49Å
394	L	95.3	Very high	92	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	139.1	169.8	-64.6	-166.3	0	0	0	110.4	I348 W349 V351 I359 L388 I396 V450 K452 L461 I604	I348-L394 WeakPolarHBondContact CA-O 3.45Å; W349-L394 HydrophobicContact CE3-CB 4.35Å; W349-L394 HydrophobicContact CE3-CD1 3.98Å; W349-L394 HydrophobicContact CE3-CG 4.27Å; W349-L394 HydrophobicContact CZ3-CD1 4.07Å; W349-L394 PolarHBondContact N-O 3.41Å; W349-L394 PolarHBondContact O-N 3.25Å; V351-L394 HydrophobicContact CG2-CG 4.08Å; I359-L394 HydrophobicContact CD1-CD1 4.31Å; L388-L394 HydrophobicContact CD1-CD1 3.89Å; L388-L394 HydrophobicContact CD1-CG 4.49Å; L388-L394 HydrophobicContact CD2-CD2 4.28Å; L394-I396 HydrophobicContact CB-CD1 4.42Å; L394-I396 HydrophobicContact CB-CG1 4.41Å; L394-V450 HydrophobicContact CD1-CG1 4.45Å; L394-K452 HydrophobicContact CD2-CB 4.5Å; L394-L461 HydrophobicContact CD2-CD1 3.73Å; L394-I604 HydrophobicContact CD1-CD1 3.85Å
395	Y	95.7	Very high	92	Very high	36 Å²	36	37.8 Å²	37.8	14%	0.141	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	117.2	179.3	-66.5	-102.5	0	0	0	107.9	L343 I346 I348 M393 V450 F451 M453	L343-Y395 HydrophobicContact CD1-CE1 4.17Å; L343-Y395 HydrophobicContact CD2-CD1 4.08Å; L343-Y395 HydrophobicContact CD2-CE1 4.31Å; I346-Y395 HydrophobicContact CG2-CD1 4.44Å; I348-Y395 HydrophobicContact CD1-CD1 4.23Å; I348-Y395 HydrophobicContact CD1-CE1 3.75Å; I348-Y395 HydrophobicContact CG1-CD1 3.9Å; I348-Y395 HydrophobicContact CG1-CE1 3.9Å; I348-Y395 HydrophobicContact CG2-CD1 4.2Å; I348-Y395 HydrophobicContact CG2-CE1 3.95Å; I348-Y395 HydrophobicContact CG2-CE2 4.39Å; M393-Y395 HydrophobicContact CB-CE2 3.87Å; M393-Y395 WeakPolarHBondContact O-CD2 3.31Å; M393-Y395 WeakPolarHBondContact O-CE2 3.49Å; Y395-V450 WeakPolarHBondContact O-CA 3.27Å; Y395-F451 VanDerWaalsContact CB-CE2 3.47Å; Y395-F451 HydrophobicContact CD1-CE2 4.37Å; Y395-F451 HydrophobicContact CD1-CZ 4.4Å; Y395-F451 HydrophobicContact CG-CD2 4.36Å; Y395-F451 AromaticContact CG-CE2 3.89Å; Y395-F451 HydrophobicContact CG-CE2 3.89Å; Y395-F451 HydrophobicContact CG-CZ 4.1Å; Y395-F451 PolarHBondContact N-O 3.34Å; Y395-F451 WeakPolarHBondContact O-CD1 3.37Å; Y395-F451 PolarHBondContact O-N 2.9Å; Y395-M453 HydrophobicContact CD1-CG 4.46Å; Y395-M453 HydrophobicContact CD2-CG 3.82Å; Y395-M453 HydrophobicContact CE1-CG 4.07Å; Y395-M453 HydrophobicContact CE2-CB 3.93Å; Y395-M453 HydrophobicContact CE2-CG 3.38Å; Y395-M453 HydrophobicContact CG-CG 4.35Å
396	I	96.9	Very high	91.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	113.3	-167.3	-60.7	170.6	0	0	0	108.7	F308 Q347 W349 L394 V398 Y449 V450 V602 I604	F308-I396 HydrophobicContact CB-CG2 4.13Å; F308-I396 HydrophobicContact CD1-CD1 3.85Å; F308-I396 HydrophobicContact CD1-CG2 4.34Å; F308-I396 HydrophobicContact CD2-CD1 3.97Å; F308-I396 HydrophobicContact CE1-CD1 3.6Å; F308-I396 HydrophobicContact CE2-CD1 3.76Å; F308-I396 HydrophobicContact CG-CD1 4.03Å; F308-I396 HydrophobicContact CG-CG2 4.17Å; F308-I396 HydrophobicContact CZ-CD1 3.57Å; Q347-I396 WeakPolarHBondContact CB-O 3.32Å; Q347-I396 PolarHBondContact N-O 3.08Å; Q347-I396 PolarHBondContact O-N 3.15Å; W349-I396 HydrophobicContact CB-CD1 4.23Å; L394-I396 HydrophobicContact CB-CD1 4.42Å; L394-I396 HydrophobicContact CB-CG1 4.41Å; I396-V398 HydrophobicContact CG2-CG2 3.98Å; I396-Y449 WeakPolarHBondContact CA-O 3.44Å; I396-V450 HydrophobicContact CG1-CG1 4.35Å; I396-V450 HydrophobicContact CG1-CG2 4.46Å; I396-V602 HydrophobicContact CG2-CB 4.26Å; I396-V602 HydrophobicContact CG2-CG2 3.91Å; I396-I604 HydrophobicContact CD1-CD1 3.98Å
397	L	95.9	Very high	90.1	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.021	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	114.9	168.2	-178.3	66.1	0	0	0	108.3	I346 T448 Y449 L519 A523 F544	I346-L397 HydrophobicContact CG1-CB 4.25Å; I346-L397 HydrophobicContact CG1-CD1 4.37Å; L397-T448 CarbonylContact O-C 3.56Å; L397-T448 VanDerWaalsContact O-CA 3.26Å; L397-T448 WeakPolarHBondContact O-CA 3.26Å; L397-Y449 HydrophobicContact CB-CD2 4.27Å; L397-Y449 HydrophobicContact CD2-CD2 4.05Å; L397-Y449 HydrophobicContact CD2-CE2 4.35Å; L397-Y449 HydrophobicContact CG-CD2 4.47Å; L397-Y449 PolarHBondContact N-O 3.37Å; L397-Y449 PolarHBondContact O-N 3.37Å; L397-L519 HydrophobicContact CD2-CD1 4.06Å; L397-A523 HydrophobicContact CD2-CB 3.28Å; L397-F544 HydrophobicContact CD1-CD2 4Å; L397-F544 HydrophobicContact CD1-CE2 4.03Å
398	V	96.7	Very high	88.5	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.219	C	C	.	.			trans	-89.3	124.2	178.5	-176.1	0	0	0	0	109.3	F308 T309 T310 I396 F544 G600 V602	F308-V398 HydrophobicContact CB-CG2 3.93Å; T309-V398 WeakPolarHBondContact O-CG2 3.31Å; T310-V398 HydrophobicContact CG2-CB 4.48Å; T310-V398 HydrophobicContact CG2-CG1 4.14Å; I396-V398 HydrophobicContact CG2-CG2 3.98Å; V398-F544 WeakPolarHBondContact O-CE2 3.4Å; V398-G600 WeakPolarHBondContact CG1-O 3.45Å; V398-V602 HydrophobicContact CG2-CG2 4.37Å
399	G	96.1	Very high	86.9	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.257	C	S	.	.			trans	-64.7	147.9	-177.4	0	0	0	0	0	113.2	T310 A447 T448 F544 G600	T310-G399 WeakPolarHBondContact CG2-O 3.4Å; G399-A447 VanDerWaalsContact CA-O 3.3Å; G399-A447 WeakPolarHBondContact CA-O 3.48Å; G399-A447 PolarHBondContact N-O 3.38Å; G399-T448 PolarHBondContact N-OG1 2.72Å; G399-F544 WeakPolarHBondContact CA-O 3.36Å; G399-G600 PolarHBondContact O-N 3.37Å
400	Q	95.8	Very high	86	Confident	11 Å²	11	43.5 Å²	43.5	5%	0.051	24%	0.242	C	C	.	.			trans	-106.6	145.1	175.6	-177	-119.2	-22.6	0	0	111.4	T310 G315 A364 G446 G543 F544 H599	T310-Q400 HydrophobicContact CG2-CB 4.22Å; G315-Q400 PolarHBondContact O-OE1 3.11Å; A364-Q400 VanDerWaalsContact CB-O 3.23Å; A364-Q400 WeakPolarHBondContact CB-O 3.49Å; Q400-G446 PolarHBondContact O-N 2.74Å; Q400-G543 WeakPolarHBondContact O-CA 3.39Å; Q400-G543 VanDerWaalsContact OE1-CA 3.24Å; Q400-F544 HydrophobicContact CB-CD1 3.38Å; Q400-F544 HydrophobicContact CB-CD2 4.36Å; Q400-F544 HydrophobicContact CB-CE1 3.47Å; Q400-F544 VanDerWaalsContact CB-CE1 3.47Å; Q400-F544 HydrophobicContact CB-CE2 4.43Å; Q400-F544 HydrophobicContact CB-CG 3.86Å; Q400-F544 HydrophobicContact CB-CZ 4.02Å; Q400-F544 HydrophobicContact CG-CD1 3.87Å; Q400-F544 HydrophobicContact CG-CE1 3.85Å; Q400-F544 PolarHBondContact N-O 2.93Å; Q400-F544 VanDerWaalsContact OE1-N 3.13Å; Q400-H599 WeakPolarHBondContact CG-ND1 3.07Å
401	Q	95.1	Very high	85.1	Confident	42 Å²	42	45.6 Å²	45.6	20%	0.196	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-58.5	136.1	175.2	-173.2	177.3	60.6	0	0	111	A365 R376 E597	A365-Q401 HydrophobicContact CB-CG 4.41Å; A365-Q401 WeakPolarHBondContact O-CA 3.18Å; R376-Q401 VanDerWaalsContact NE-NE2 3.14Å; Q401-E597 PolarHBondContact NE2-O 2.82Å
402	G	93.4	Very high	84.2	Confident	3 Å²	3	45.7 Å²	45.7	3%	0.031	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-66.6	146.9	175.6	0	0	0	0	0	112.3	A365 G367 G444	A365-G402 PolarHBondContact O-N 3.5Å; G367-G402 WeakPolarHBondContact CA-O 3.47Å; G402-G444 WeakPolarHBondContact CA-O 3.46Å
403	E	91.7	Very high	83.4	Confident	37 Å²	37	43.7 Å²	43.7	17%	0.173	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-69.9	137.5	-176.3	-65	179.9	168.2	0	0	112.1	G442 G443 R541	E403-G442 WeakPolarHBondContact O-CA 3.17Å; E403-G443 PolarHBondContact O-N 3.02Å; E403-R541 WeakPolarHBondContact CB-O 3.47Å; E403-R541 HydrophobicContact CG-CB 4.41Å; E403-R541 WeakPolarHBondContact CG-O 3.37Å; E403-R541 PolarHBondContact N-O 2.81Å; E403-R541 IonicContact OE1-CZ 3.56Å; E403-R541 VanDerWaalsContact OE1-CZ 3.25Å; E403-R541 IonicContact OE1-NE 2.73Å; E403-R541 PolarHBondContact OE1-NE 3.18Å; E403-R541 IonicContact OE1-NH2 3.53Å; E403-R541 PolarHBondContact OE1-NH2 2.88Å; E403-R541 WeakPolarHBondContact OE2-CB 3.41Å; E403-R541 IonicContact OE2-CZ 2.71Å; E403-R541 PolarHBondContact OE2-N 3.25Å; E403-R541 IonicContact OE2-NE 2.72Å; E403-R541 PolarHBondContact OE2-NE 2.9Å; E403-R541 VanDerWaalsContact OE2-NE 3.1Å; E403-R541 IonicContact OE2-NH2 3.73Å; E403-R541 PolarHBondContact OE2-NH2 3Å
404	D	89.6	Confident	82.4	Confident	66 Å²	66	45.5 Å²	45.5	35%	0.353	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-70.5	147.9	176.2	-72.2	-20.5	0	0	0	111.8	G367 K368 R376 C406	G367-D404 WeakPolarHBondContact CA-OD1 3.34Å; K368-D404 PolarHBondContact N-OD1 3.17Å; R376-D404 IonicContact CZ-OD1 3.88Å; R376-D404 VanDerWaalsContact CZ-OD1 3.29Å; R376-D404 IonicContact CZ-OD2 2.89Å; R376-D404 IonicContact NH1-OD1 2.65Å; R376-D404 PolarHBondContact NH1-OD1 3.03Å; R376-D404 IonicContact NH1-OD2 2.66Å; R376-D404 VanDerWaalsContact NH2-CG 3.34Å; R376-D404 IonicContact NH2-OD1 2.72Å; R376-D404 PolarHBondContact NH2-OD1 3.11Å; R376-D404 VanDerWaalsContact NH2-OD1 3.07Å; R376-D404 IonicContact NH2-OD2 3.48Å; R376-D404 PolarHBondContact NH2-OD2 2.82Å; D404-C406 PolarHBondContact O-N 2.98Å
405	A	83.7	Confident	81.3	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.008	27%	0.272	C	S	.	.	S	Bend	trans	-60.3	-15.6	-174.3	0	0	0	0	0	115.8	K368 G369 G370 P407 G440 W538	K368-A405 VanDerWaalsContact O-CB 3.23Å; K368-A405 WeakPolarHBondContact O-CB 3.46Å; K368-A405 PolarHBondContact O-N 2.87Å; G369-A405 VanDerWaalsContact C-CB 3.48Å; G370-A405 VanDerWaalsContact N-CB 3.32Å; A405-P407 WeakPolarHBondContact O-CD 3.26Å; A405-G440 WeakPolarHBondContact CB-O 3.39Å; A405-W538 HydrophobicContact CB-CZ2 4.35Å; A405-W538 WeakPolarHBondContact O-CZ2 3.45Å; A405-W538 PolarHBondContact O-NE1 2.84Å
406	C	72.9	Confident	80.1	Confident	61 Å²	61	49.1 Å²	49.1	41%	0.412	27%	0.267	S	S	.	.			trans	-114.7	81.7	-163.2	-54.1	0	0	0	0	113.1	D404 C417	D404-C406 PolarHBondContact O-N 2.98Å; C406-C417 WeakPolarHBondContact CA-SG 3.48Å; C406-C417 HydrophobicContact CB-CB 3.88Å; C406-C417 WeakPolarHBondContact CB-SG 3.36Å; C406-C417 WeakPolarHBondContact SG-CB 3.24Å; C406-C417 CovalentContact SG-SG 2.04Å; C406-C417 PolarHBondContact SG-SG 2.95Å
407	P	62	Low	78.9	Confident	43 Å²	43	49.2 Å²	49.2	28%	0.279	27%	0.268	S	S	.	.			trans	-66.3	142.1	175.8	27.9	-34.8	0	0	0	111.9	A405 T409	A405-P407 WeakPolarHBondContact O-CD 3.26Å; P407-T409 VanDerWaalsContact C-N 3.27Å; P407-T409 PolarHBondContact O-N 2.75Å; P407-T409 VanDerWaalsContact O-N 3.11Å
408	S	56.8	Low	77.6	Confident	111 Å²	111	53.3 Å²	53.3	78%	0.776	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	6	-165	54.5	0	0	0	0	116.5
409	T	56.6	Low	76.1	Confident	131 Å²	131	54.6 Å²	54.6	80%	0.804	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	-13.2	-163.2	52.7	0	0	0	0	115.9	P407	P407-T409 VanDerWaalsContact C-N 3.27Å; P407-T409 PolarHBondContact O-N 2.75Å; P407-T409 VanDerWaalsContact O-N 3.11Å
410	N	70.4	Confident	74.8	Confident	61 Å²	61	60.9 Å²	60.9	33%	0.326	33%	0.331	S	S	.	.			trans	-124.6	108.4	-176.9	-176.5	-20.2	0	0	0	111.7	L412 I413 Q414	N410-L412 PolarHBondContact O-N 2.76Å; N410-L412 PolarHBondContact OD1-N 2.65Å; N410-I413 HydrophobicContact CB-CB 4.13Å; N410-I413 HydrophobicContact CB-CD1 4.03Å; N410-I413 HydrophobicContact CB-CG1 4.17Å; N410-I413 WeakPolarHBondContact ND2-CD1 3.31Å; N410-I413 PolarHBondContact O-N 2.79Å; N410-I413 PolarHBondContact OD1-N 2.87Å; N410-Q414 WeakPolarHBondContact O-CB 3.36Å; N410-Q414 PolarHBondContact O-N 3.19Å
411	Q	70.3	Confident	73.4	Confident	157 Å²	157	62 Å²	62	73%	0.734	34%	0.337	S	S	*	.	H	α-helix	trans	-58.4	-30.2	-177.9	-67.3	-176.5	-9.7	0	0	114.2	K415	Q411-K415 WeakPolarHBondContact O-CG 3.38Å; Q411-K415 PolarHBondContact O-N 3.23Å; Q411-K415 VanDerWaalsContact O-N 3.14Å
412	L	70.3	Confident	71.9	Confident	84 Å²	84	63.7 Å²	63.7	44%	0.44	35%	0.348	S	S	.	.	H	α-helix	trans	-75	-43.6	179.5	-174.5	62.8	0	0	0	110.9	N410 Q414 K415 V416 N421 W536	N410-L412 PolarHBondContact O-N 2.76Å; N410-L412 PolarHBondContact OD1-N 2.65Å; L412-Q414 VanDerWaalsContact C-N 3.34Å; L412-K415 PolarHBondContact O-N 3.09Å; L412-V416 WeakPolarHBondContact O-CG2 3.46Å; L412-V416 PolarHBondContact O-N 3.34Å; L412-V416 VanDerWaalsContact O-N 3.15Å; L412-N421 WeakPolarHBondContact CD1-ND2 3.36Å; L412-W536 HydrophobicContact CD2-CZ3 3.95Å
413	I	72.1	Confident	70.5	Confident	6 Å²	6	66.2 Å²	66.2	3%	0.031	36%	0.363	C	S	.	.	H	α-helix	trans	-63.8	-41.9	173.3	-64.8	177.1	0	0	0	109.9	N410 K415 V416 C417 W536 W538	N410-I413 HydrophobicContact CB-CB 4.13Å; N410-I413 HydrophobicContact CB-CD1 4.03Å; N410-I413 HydrophobicContact CB-CG1 4.17Å; N410-I413 WeakPolarHBondContact ND2-CD1 3.31Å; N410-I413 PolarHBondContact O-N 2.79Å; N410-I413 PolarHBondContact OD1-N 2.87Å; I413-K415 PolarHBondContact O-N 3.48Å; I413-V416 WeakPolarHBondContact O-CB 2.99Å; I413-V416 PolarHBondContact O-N 3.49Å; I413-C417 WeakPolarHBondContact O-CB 3.22Å; I413-C417 PolarHBondContact O-N 2.97Å; I413-W536 HydrophobicContact CD1-CB 4.42Å; I413-W536 WeakPolarHBondContact CD1-O 3.12Å; I413-W538 HydrophobicContact CG2-CD2 4.23Å; I413-W538 HydrophobicContact CG2-CE3 4.02Å; I413-W538 HydrophobicContact CG2-CH2 3.78Å; I413-W538 HydrophobicContact CG2-CZ2 3.97Å; I413-W538 HydrophobicContact CG2-CZ3 3.82Å
414	Q	72.3	Confident	69.1	Low	101 Å²	101	64.6 Å²	64.6	47%	0.472	36%	0.355	S	S	.	.	H	α-helix	trans	-58.1	-46.1	178	-169.2	177.6	15	0	0	112.1	N410 L412 V416 C417 I418	N410-Q414 WeakPolarHBondContact O-CB 3.36Å; N410-Q414 PolarHBondContact O-N 3.19Å; L412-Q414 VanDerWaalsContact C-N 3.34Å; Q414-V416 VanDerWaalsContact C-N 3.34Å; Q414-V416 PolarHBondContact O-N 3.09Å; Q414-C417 WeakPolarHBondContact O-CB 3.44Å; Q414-C417 PolarHBondContact O-N 3.13Å; Q414-I418 WeakPolarHBondContact O-CG1 3.34Å; Q414-I418 PolarHBondContact O-N 2.84Å; Q414-I418 VanDerWaalsContact O-N 3.1Å
415	K	72.3	Confident	68	Low	106 Å²	106	64.8 Å²	64.8	46%	0.461	35%	0.354	S	S	.	.	H	α-helix	trans	-64.6	-35.7	176.4	-75.5	-173.2	171.6	-166.7	0	113.7	Q411 L412 I413 I418 G419 E420 N421	Q411-K415 WeakPolarHBondContact O-CG 3.38Å; Q411-K415 PolarHBondContact O-N 3.23Å; Q411-K415 VanDerWaalsContact O-N 3.14Å; L412-K415 PolarHBondContact O-N 3.09Å; I413-K415 PolarHBondContact O-N 3.48Å; K415-I418 WeakPolarHBondContact O-CG1 3.45Å; K415-G419 PolarHBondContact O-N 2.9Å; K415-E420 HydrophobicContact CB-CB 4.24Å; K415-E420 HydrophobicContact CG-CB 4.46Å; K415-E420 PolarHBondContact O-N 3.33Å; K415-N421 HydrophobicContact CB-CB 4.02Å; K415-N421 PolarHBondContact O-N 3.21Å
416	V	72.1	Confident	67.1	Low	7 Å²	7	70 Å²	70	4%	0.042	38%	0.378	C	S	.	.	H	α-helix	trans	-66.7	-44.9	172	167.4	0	0	0	0	110.5	L412 I413 Q414 I418 G419 N421 I424 Y472 W538	L412-V416 WeakPolarHBondContact O-CG2 3.46Å; L412-V416 PolarHBondContact O-N 3.34Å; L412-V416 VanDerWaalsContact O-N 3.15Å; I413-V416 WeakPolarHBondContact O-CB 2.99Å; I413-V416 PolarHBondContact O-N 3.49Å; Q414-V416 VanDerWaalsContact C-N 3.34Å; Q414-V416 PolarHBondContact O-N 3.09Å; V416-I418 VanDerWaalsContact C-N 3.28Å; V416-I418 PolarHBondContact O-N 3Å; V416-G419 PolarHBondContact O-N 2.93Å; V416-N421 HydrophobicContact CG2-CB 3.87Å; V416-N421 WeakPolarHBondContact CG2-ND2 3.19Å; V416-I424 HydrophobicContact CG1-CD1 3.25Å; V416-I424 HydrophobicContact CG1-CG1 3.99Å; V416-Y472 HydrophobicContact CG1-CE2 4.01Å; V416-W538 HydrophobicContact CG1-CH2 4.5Å; V416-W538 HydrophobicContact CG1-CZ3 4.49Å
417	C	70.8	Confident	66.6	Low	2 Å²	2	69.6 Å²	69.6	1%	0.014	37%	0.37	C	S	.	.	H	α-helix	trans	-58.6	-33.9	178.7	-116.8	0	0	0	0	113.9	K371 C406 I413 Q414	K371-C417 PolarHBondContact N-O 3.39Å; C406-C417 WeakPolarHBondContact CA-SG 3.48Å; C406-C417 HydrophobicContact CB-CB 3.88Å; C406-C417 WeakPolarHBondContact CB-SG 3.36Å; C406-C417 WeakPolarHBondContact SG-CB 3.24Å; C406-C417 CovalentContact SG-SG 2.04Å; C406-C417 PolarHBondContact SG-SG 2.95Å; I413-C417 WeakPolarHBondContact O-CB 3.22Å; I413-C417 PolarHBondContact O-N 2.97Å; Q414-C417 WeakPolarHBondContact O-CB 3.44Å; Q414-C417 PolarHBondContact O-N 3.13Å
418	I	68.4	Low	66.6	Low	90 Å²	90	70.3 Å²	70.3	46%	0.462	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	3	178.1	66	-170.7	0	0	0	113.7	Q414 K415 V416 E420	Q414-I418 WeakPolarHBondContact O-CG1 3.34Å; Q414-I418 PolarHBondContact O-N 2.84Å; Q414-I418 VanDerWaalsContact O-N 3.1Å; K415-I418 WeakPolarHBondContact O-CG1 3.45Å; V416-I418 VanDerWaalsContact C-N 3.28Å; V416-I418 PolarHBondContact O-N 3Å; I418-E420 VanDerWaalsContact C-N 3.29Å; I418-E420 HydrophobicContact CD1-CB 4.26Å; I418-E420 VanDerWaalsContact CD1-CD 3.47Å; I418-E420 HydrophobicContact CD1-CG 3.87Å; I418-E420 WeakPolarHBondContact CD1-OE1 3.22Å; I418-E420 HydrophobicContact CG1-CB 3.96Å; I418-E420 HydrophobicContact CG1-CG 3.87Å; I418-E420 PolarHBondContact O-N 2.91Å
419	G	66.1	Low	66.8	Low	27 Å²	27	75.2 Å²	75.2	28%	0.278	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	14.6	-178.9	0	0	0	0	0	115.2	K415 V416 N421	K415-G419 PolarHBondContact O-N 2.9Å; V416-G419 PolarHBondContact O-N 2.93Å; G419-N421 VanDerWaalsContact C-N 3.28Å
420	E	68.8	Low	67	Low	131 Å²	131	74.3 Å²	74.3	61%	0.612	37%	0.367	S	S	*	.	S	Bend	trans	-76.4	-14	172.6	-86.2	-176.2	-162.7	0	0	113.1	K415 I418	K415-E420 HydrophobicContact CB-CB 4.24Å; K415-E420 HydrophobicContact CG-CB 4.46Å; K415-E420 PolarHBondContact O-N 3.33Å; I418-E420 VanDerWaalsContact C-N 3.29Å; I418-E420 HydrophobicContact CD1-CB 4.26Å; I418-E420 VanDerWaalsContact CD1-CD 3.47Å; I418-E420 HydrophobicContact CD1-CG 3.87Å; I418-E420 WeakPolarHBondContact CD1-OE1 3.22Å; I418-E420 HydrophobicContact CG1-CB 3.96Å; I418-E420 HydrophobicContact CG1-CG 3.87Å; I418-E420 PolarHBondContact O-N 2.91Å
421	N	65.1	Low	66.3	Low	34 Å²	34	75.9 Å²	75.9	18%	0.182	38%	0.375	C	S	.	.			trans	-132	111.2	-175.3	-176.6	16.7	0	0	0	112.6	L412 K415 V416 G419 V423	L412-N421 WeakPolarHBondContact CD1-ND2 3.36Å; K415-N421 HydrophobicContact CB-CB 4.02Å; K415-N421 PolarHBondContact O-N 3.21Å; V416-N421 HydrophobicContact CG2-CB 3.87Å; V416-N421 WeakPolarHBondContact CG2-ND2 3.19Å; G419-N421 VanDerWaalsContact C-N 3.28Å; N421-V423 VanDerWaalsContact C-N 3.25Å; N421-V423 PolarHBondContact O-N 2.98Å; N421-V423 VanDerWaalsContact OD1-CG2 3.32Å; N421-V423 WeakPolarHBondContact OD1-CG2 3.29Å; N421-V423 PolarHBondContact OD1-N 2.89Å
422	N	63.4	Low	65.4	Low	79 Å²	79	79.4 Å²	79.4	42%	0.422	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	4.2	-173.2	-60.6	-13.3	0	0	0	114.7	I424 E425 E426	N422-I424 PolarHBondContact O-N 2.83Å; N422-I424 VanDerWaalsContact O-N 3.11Å; N422-E425 CarbonylContact O-C 3.57Å; N422-E425 WeakPolarHBondContact O-CA 3.28Å; N422-E425 PolarHBondContact O-N 3.08Å; N422-E426 HydrophobicContact CB-CG 4.24Å; N422-E426 PolarHBondContact O-N 2.82Å
423	V	63.9	Low	64.6	Low	56 Å²	56	78.6 Å²	78.6	34%	0.339	38%	0.383	S	S	.	.	H	α-helix	trans	-48.8	-41.8	-176	160.5	0	0	0	0	113.4	N421 E427 W536	N421-V423 VanDerWaalsContact C-N 3.25Å; N421-V423 PolarHBondContact O-N 2.98Å; N421-V423 VanDerWaalsContact OD1-CG2 3.32Å; N421-V423 WeakPolarHBondContact OD1-CG2 3.29Å; N421-V423 PolarHBondContact OD1-N 2.89Å; V423-E427 WeakPolarHBondContact O-CB 3.21Å; V423-E427 PolarHBondContact O-N 3.32Å; V423-W536 HydrophobicContact CG1-CH2 4.41Å
424	I	63.2	Low	63.7	Low	3 Å²	3	79.3 Å²	79.3	2%	0.015	39%	0.388	C	S	.	.	H	α-helix	trans	-65	-46.5	175.4	-70.8	179.3	0	0	0	111.3	V416 N422 E426 E427 I428 W437 Y472	V416-I424 HydrophobicContact CG1-CD1 3.25Å; V416-I424 HydrophobicContact CG1-CG1 3.99Å; N422-I424 PolarHBondContact O-N 2.83Å; N422-I424 VanDerWaalsContact O-N 3.11Å; I424-E426 VanDerWaalsContact C-N 3.32Å; I424-E426 PolarHBondContact O-N 2.83Å; I424-E427 PolarHBondContact O-N 3.35Å; I424-I428 HydrophobicContact CG2-CD1 3.64Å; I424-I428 HydrophobicContact CG2-CG1 4.4Å; I424-I428 WeakPolarHBondContact O-CB 3.35Å; I424-I428 WeakPolarHBondContact O-CD1 3.47Å; I424-I428 WeakPolarHBondContact O-CG1 3.31Å; I424-I428 PolarHBondContact O-N 3.44Å; I424-W437 HydrophobicContact CD1-CZ2 3.73Å; I424-W437 HydrophobicContact CG2-CD2 3.94Å; I424-W437 HydrophobicContact CG2-CE3 3.92Å; I424-W437 HydrophobicContact CG2-CH2 3.82Å; I424-W437 HydrophobicContact CG2-CZ2 3.79Å; I424-W437 HydrophobicContact CG2-CZ3 3.86Å; I424-Y472 HydrophobicContact CD1-CE1 4.4Å; I424-Y472 HydrophobicContact CD1-CE2 3.87Å; I424-Y472 HydrophobicContact CG2-CE1 3.9Å
425	E	66.9	Low	62.7	Low	69 Å²	69	81.9 Å²	81.9	32%	0.322	40%	0.399	S	S	.	.	H	α-helix	trans	-68	-33	-177.6	-71.3	168.8	-122	0	0	111.9	K371 N422 R429	K371-E425 IonicContact NZ-OE1 2.71Å; K371-E425 PolarHBondContact NZ-OE1 2.9Å; K371-E425 IonicContact NZ-OE2 3.81Å; K371-E425 PolarHBondContact NZ-OE2 3.33Å; N422-E425 CarbonylContact O-C 3.57Å; N422-E425 WeakPolarHBondContact O-CA 3.28Å; N422-E425 PolarHBondContact O-N 3.08Å; E425-R429 WeakPolarHBondContact O-CB 3.42Å; E425-R429 PolarHBondContact O-N 3Å
426	E	64.8	Low	61.7	Low	111 Å²	111	83.4 Å²	83.4	52%	0.519	41%	0.408	S	S	.	.	H	α-helix	trans	-72.7	-42.4	173.3	-68.5	179.9	179.2	0	0	111.8	N422 I424 I428 R429 V430	N422-E426 HydrophobicContact CB-CG 4.24Å; N422-E426 PolarHBondContact O-N 2.82Å; I424-E426 VanDerWaalsContact C-N 3.32Å; I424-E426 PolarHBondContact O-N 2.83Å; E426-I428 PolarHBondContact O-N 2.87Å; E426-R429 PolarHBondContact O-N 3.13Å; E426-V430 WeakPolarHBondContact O-CG2 3.3Å; E426-V430 PolarHBondContact O-N 3.07Å
427	E	61.4	Low	61.1	Low	53 Å²	53	83.5 Å²	83.5	25%	0.248	41%	0.408	C	S	.	.	H	α-helix	trans	-62.2	-43.1	174.9	-167.1	177.1	176.5	0	0	111.4	V423 I424 V430 N431 K535	V423-E427 WeakPolarHBondContact O-CB 3.21Å; V423-E427 PolarHBondContact O-N 3.32Å; I424-E427 PolarHBondContact O-N 3.35Å; E427-V430 PolarHBondContact O-N 2.94Å; E427-N431 WeakPolarHBondContact O-CB 3.12Å; E427-N431 PolarHBondContact O-N 3.05Å; E427-K535 IonicContact OE1-NZ 3.99Å; E427-K535 PolarHBondContact OE1-NZ 3Å; E427-K535 IonicContact OE2-NZ 2.64Å
428	I	63.5	Low	60.7	Low	58 Å²	58	83.6 Å²	83.6	30%	0.297	41%	0.408	S	S	.	.	H	α-helix	trans	-61.5	-45.4	173.2	-68.8	166.8	0	0	0	111.1	I424 E426 V430 R432 V434 W437	I424-I428 HydrophobicContact CG2-CD1 3.64Å; I424-I428 HydrophobicContact CG2-CG1 4.4Å; I424-I428 WeakPolarHBondContact O-CB 3.35Å; I424-I428 WeakPolarHBondContact O-CD1 3.47Å; I424-I428 WeakPolarHBondContact O-CG1 3.31Å; I424-I428 PolarHBondContact O-N 3.44Å; E426-I428 PolarHBondContact O-N 2.87Å; I428-V430 VanDerWaalsContact C-N 3.27Å; I428-V430 PolarHBondContact O-N 3.06Å; I428-R432 WeakPolarHBondContact O-CA 3.2Å; I428-R432 PolarHBondContact O-N 2.75Å; I428-V434 HydrophobicContact CD1-CG2 4.39Å; I428-V434 HydrophobicContact CG1-CG2 4.16Å; I428-W437 HydrophobicContact CD1-CE3 3.86Å; I428-W437 HydrophobicContact CD1-CZ3 3.65Å; I428-W437 HydrophobicContact CG1-CE3 4.31Å
429	R	60.4	Low	60.9	Low	213 Å²	213	79.3 Å²	79.3	80%	0.804	39%	0.386	S	S	*	.	H	α-helix	trans	-65.4	-28.8	-177.9	-167.4	-179.3	-146.7	170.6	7.6	112.9	E425 E426	E425-R429 WeakPolarHBondContact O-CB 3.42Å; E425-R429 PolarHBondContact O-N 3Å; E426-R429 PolarHBondContact O-N 3.13Å
430	V	60.1	Low	61.6	Low	112 Å²	112	78 Å²	78	68%	0.679	37%	0.373	S	S	*	.	H	α-helix	trans	-82.8	-51.8	174.4	175.5	0	0	0	0	111.5	E426 E427 I428	E426-V430 WeakPolarHBondContact O-CG2 3.3Å; E426-V430 PolarHBondContact O-N 3.07Å; E427-V430 PolarHBondContact O-N 2.94Å; I428-V430 VanDerWaalsContact C-N 3.27Å; I428-V430 PolarHBondContact O-N 3.06Å
431	N	55.9	Low	62.5	Low	94 Å²	94	71.8 Å²	71.8	50%	0.503	34%	0.344	S	S	.	.	H	α-helix	trans	-90.4	-10.6	-168.6	-69.5	-24.2	0	0	0	115.1	E427 S433	E427-N431 WeakPolarHBondContact O-CB 3.12Å; E427-N431 PolarHBondContact O-N 3.05Å; N431-S433 PolarHBondContact O-N 3.28Å; N431-S433 PolarHBondContact O-OG 3.08Å
432	R	52.3	Low	63.8	Low	231 Å²	231	70.1 Å²	70.1	87%	0.872	34%	0.335	S	S	*	.	S	Bend	trans	56.3	6.7	177.6	-59.5	-175.4	176.7	-173.2	-0.7	116.8	I428	I428-R432 WeakPolarHBondContact O-CA 3.2Å; I428-R432 PolarHBondContact O-N 2.75Å
433	S	52.6	Low	65.2	Low	67 Å²	67	66.4 Å²	66.4	47%	0.469	32%	0.315	S	S	.	.			trans	-151.5	150.5	178.6	61.7	0	0	0	0	111.2	N431	N431-S433 PolarHBondContact O-N 3.28Å; N431-S433 PolarHBondContact O-OG 3.08Å
434	V	54.1	Low	66.7	Low	21 Å²	21	63.7 Å²	63.7	13%	0.127	30%	0.299	C	S	.	.			trans	-99.1	9.9	-170.2	170.7	0	0	0	0	112.2	I428 E436 W437 P571	I428-V434 HydrophobicContact CD1-CG2 4.39Å; I428-V434 HydrophobicContact CG1-CG2 4.16Å; V434-E436 PolarHBondContact O-N 2.99Å; V434-W437 HydrophobicContact CB-CE3 4.34Å; V434-W437 HydrophobicContact CG1-CB 4.35Å; V434-W437 HydrophobicContact CG1-CD2 4.29Å; V434-W437 HydrophobicContact CG1-CE3 3.51Å; V434-W437 HydrophobicContact CG1-CZ3 4.07Å; V434-W437 WeakPolarHBondContact CG1-O 3.15Å; V434-W437 HydrophobicContact CG2-CE3 3.96Å; V434-W437 HydrophobicContact CG2-CZ3 4.27Å; V434-W437 PolarHBondContact O-N 2.91Å; V434-P571 HydrophobicContact CG2-CG 4.37Å
435	H	50.2	Low	68.3	Low	155 Å²	155	63.6 Å²	63.6	72%	0.718	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-17.2	-169.6	-65.3	-3.2	0	0	0	116.1
436	E	52.4	Low	69.7	Low	139 Å²	139	60.3 Å²	60.3	65%	0.65	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-6.3	170	-72.2	-156.2	161.6	0	0	114.9	V434 K535	V434-E436 PolarHBondContact O-N 2.99Å; E436-K535 WeakPolarHBondContact O-CD 3.33Å; E436-K535 IonicContact OE2-NZ 3.94Å; E436-K535 PolarHBondContact OE2-NZ 3.05Å; E436-K535 VanDerWaalsContact OE2-NZ 3.11Å
437	W	57.8	Low	71.2	Confident	9 Å²	9	55 Å²	55	3%	0.034	26%	0.258	C	S	.	.			trans	-108	136.8	179.5	172.3	58.1	0	0	0	110.2	I424 I428 V434 G439 Y472 S552 N569 P571	I424-W437 HydrophobicContact CD1-CZ2 3.73Å; I424-W437 HydrophobicContact CG2-CD2 3.94Å; I424-W437 HydrophobicContact CG2-CE3 3.92Å; I424-W437 HydrophobicContact CG2-CH2 3.82Å; I424-W437 HydrophobicContact CG2-CZ2 3.79Å; I424-W437 HydrophobicContact CG2-CZ3 3.86Å; I428-W437 HydrophobicContact CD1-CE3 3.86Å; I428-W437 HydrophobicContact CD1-CZ3 3.65Å; I428-W437 HydrophobicContact CG1-CE3 4.31Å; V434-W437 HydrophobicContact CB-CE3 4.34Å; V434-W437 HydrophobicContact CG1-CB 4.35Å; V434-W437 HydrophobicContact CG1-CD2 4.29Å; V434-W437 HydrophobicContact CG1-CE3 3.51Å; V434-W437 HydrophobicContact CG1-CZ3 4.07Å; V434-W437 WeakPolarHBondContact CG1-O 3.15Å; V434-W437 HydrophobicContact CG2-CE3 3.96Å; V434-W437 HydrophobicContact CG2-CZ3 4.27Å; V434-W437 PolarHBondContact O-N 2.91Å; W437-G439 VanDerWaalsContact CE2-O 3.3Å; W437-G439 WeakPolarHBondContact CZ2-O 3.43Å; W437-G439 PolarHBondContact NE1-O 2.88Å; W437-Y472 AromaticContact CH2-CD1 3.33Å; W437-Y472 HydrophobicContact CH2-CD1 3.33Å; W437-Y472 HydrophobicContact CH2-CD2 4.45Å; W437-Y472 HydrophobicContact CH2-CE1 4.02Å; W437-Y472 AromaticContact CH2-CG 3.58Å; W437-Y472 HydrophobicContact CH2-CG 3.58Å; W437-Y472 AromaticContact CZ2-CD1 3.69Å; W437-Y472 HydrophobicContact CZ2-CD1 3.69Å; W437-Y472 HydrophobicContact CZ2-CD2 4.02Å; W437-Y472 HydrophobicContact CZ2-CE1 4.21Å; W437-Y472 HydrophobicContact CZ2-CE2 4.49Å; W437-Y472 AromaticContact CZ2-CG 3.57Å; W437-Y472 HydrophobicContact CZ2-CG 3.57Å; W437-Y472 HydrophobicContact CZ3-CD1 4.44Å; W437-S552 WeakPolarHBondContact CZ2-OG 3.44Å; W437-N569 PolarHBondContact O-ND2 2.98Å; W437-P571 HydrophobicContact CH2-CB 3.53Å; W437-P571 HydrophobicContact CH2-CG 4.35Å; W437-P571 HydrophobicContact CZ3-CB 3.47Å; W437-P571 VanDerWaalsContact CZ3-CB 3.47Å; W437-P571 HydrophobicContact CZ3-CG 3.82Å
438	A	62.8	Low	72.9	Confident	3 Å²	3	52.5 Å²	52.5	3%	0.025	25%	0.246	C	C	.	.			trans	-158.9	13.6	-152.1	0	0	0	0	0	114.9	C529 Q531 A532 C551 S552	A438-C529 PolarHBondContact O-SG 3.24Å; A438-Q531 HydrophobicContact CB-CB 3.27Å; A438-Q531 HydrophobicContact CB-CG 4.49Å; A438-A532 WeakPolarHBondContact O-CA 3.37Å; A438-A532 WeakPolarHBondContact O-CB 3.34Å; A438-C551 CarbonylContact O-C 3.19Å; A438-C551 WeakPolarHBondContact O-CA 3.49Å; A438-C551 PolarHBondContact O-SG 2.97Å; A438-S552 VanDerWaalsContact C-OG 3.27Å; A438-S552 WeakPolarHBondContact CA-OG 3.41Å; A438-S552 PolarHBondContact N-OG 3.42Å
439	G	73.4	Confident	74.5	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.232	C	C	.	.			trans	-121.7	168.6	174.2	0	0	0	0	0	111	W437 C551 S552	W437-G439 VanDerWaalsContact CE2-O 3.3Å; W437-G439 WeakPolarHBondContact CZ2-O 3.43Å; W437-G439 PolarHBondContact NE1-O 2.88Å; G439-C551 CarbonylContact C-O 3.57Å; G439-C551 WeakPolarHBondContact CA-O 3.39Å; G439-S552 PolarHBondContact N-OG 2.03Å; G439-S552 VanDerWaalsContact N-OG 3.09Å; G439-S552 WeakPolarHBondContact O-CA 3.23Å; G439-S552 WeakPolarHBondContact O-CB 3.38Å; G439-S552 PolarHBondContact O-OG 2.75Å
440	G	80.1	Confident	76.2	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.194	C	C	.	.			trans	104.5	-8	174.6	0	0	0	0	0	116.2	G369 G370 A405 Y472 W538 C551	G369-G440 CarbonylContact C-O 3.2Å; G369-G440 VanDerWaalsContact CA-O 3.28Å; G369-G440 WeakPolarHBondContact CA-O 3.27Å; G370-G440 PolarHBondContact N-O 2.83Å; A405-G440 WeakPolarHBondContact CB-O 3.39Å; G440-Y472 WeakPolarHBondContact O-CA 3.39Å; G440-Y472 PolarHBondContact O-N 2.89Å; G440-W538 VanDerWaalsContact N-CE2 3.26Å; G440-C551 PolarHBondContact N-O 2.72Å; G440-C551 VanDerWaalsContact N-O 3.16Å
441	G	88.8	Confident	77.9	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-88.3	139.6	167.9	0	0	0	0	0	112	R470 T540 C551	G441-R470 CarbonylContact C-O 3.43Å; G441-R470 WeakPolarHBondContact CA-O 3.46Å; G441-T540 PolarHBondContact O-OG1 3.06Å; G441-C551 PolarHBondContact N-O 2.7Å
442	G	91.4	Very high	79.6	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-74.5	157.6	170.6	0	0	0	0	0	112.4	K368 E403 R470 G554 G555	K368-G442 WeakPolarHBondContact O-CA 3.18Å; E403-G442 WeakPolarHBondContact O-CA 3.17Å; G442-R470 PolarHBondContact N-O 3.11Å; G442-G554 WeakPolarHBondContact O-CA 3.34Å; G442-G555 PolarHBondContact O-N 2.78Å
443	G	93.6	Very high	81.4	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-71.3	154	172.6	0	0	0	0	0	112.3	G367 E403 G469	G367-G443 WeakPolarHBondContact CA-O 3.42Å; G367-G443 PolarHBondContact N-O 2.81Å; E403-G443 PolarHBondContact O-N 3.02Å; G443-G469 WeakPolarHBondContact O-CA 3.21Å
444	G	95.3	Very high	83	Confident	0 Å²	0	28 Å²	28	0%	0	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-70.8	149.8	170.4	0	0	0	0	0	111.8	G402 G542 G543 G547 G548 G555	G402-G444 WeakPolarHBondContact CA-O 3.46Å; G444-G542 WeakPolarHBondContact O-CA 3.22Å; G444-G543 PolarHBondContact O-N 2.93Å; G444-G547 WeakPolarHBondContact O-CA 3.48Å; G444-G548 PolarHBondContact N-O 3.36Å; G444-G555 WeakPolarHBondContact CA-O 3.38Å; G444-G555 PolarHBondContact N-O 2.88Å
445	G	96.4	Very high	84.5	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-72.3	145.8	171.5	0	0	0	0	0	111.6	A365 G467 G547 G558	A365-G445 VanDerWaalsContact O-CA 3.29Å; A365-G445 WeakPolarHBondContact O-CA 3.37Å; G445-G467 PolarHBondContact N-O 3.42Å; G445-G547 WeakPolarHBondContact O-CA 3.21Å; G445-G558 PolarHBondContact O-N 2.86Å
446	G	96.7	Very high	86	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-74.9	146.4	172.7	0	0	0	0	0	112.7	A364 Q400 F544	A364-G446 WeakPolarHBondContact CB-O 3.12Å; A364-G446 PolarHBondContact N-O 3.05Å; Q400-G446 PolarHBondContact O-N 2.74Å; G446-F544 WeakPolarHBondContact CA-O 3.36Å
447	A	96.8	Very high	87.6	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-72.7	155.2	166.4	0	0	0	0	0	111.8	G399 Y449 I463 A464 G545 G558	G399-A447 VanDerWaalsContact CA-O 3.3Å; G399-A447 WeakPolarHBondContact CA-O 3.48Å; G399-A447 PolarHBondContact N-O 3.38Å; A447-Y449 HydrophobicContact CB-CD2 4.29Å; A447-Y449 HydrophobicContact CB-CE1 4.44Å; A447-Y449 HydrophobicContact CB-CE2 3.58Å; A447-Y449 WeakPolarHBondContact O-CD2 3.11Å; A447-Y449 VanDerWaalsContact O-CE2 3.3Å; A447-Y449 WeakPolarHBondContact O-CE2 3.38Å; A447-I463 HydrophobicContact CB-CG2 4.12Å; A447-A464 VanDerWaalsContact CA-O 3.32Å; A447-A464 WeakPolarHBondContact CA-O 3.39Å; A447-A464 WeakPolarHBondContact CB-O 3.43Å; A447-G545 PolarHBondContact N-O 2.95Å; A447-G545 WeakPolarHBondContact O-CA 3.45Å; A447-G558 VanDerWaalsContact CB-C 3.41Å; A447-G558 WeakPolarHBondContact CB-O 3.33Å
448	T	97.3	Very high	89	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	123.4	171.4	-71.7	0	0	0	0	109	Y362 L397 G399 I463 A464 V602	Y362-T448 WeakPolarHBondContact O-CB 3.33Å; Y362-T448 PolarHBondContact O-OG1 3.27Å; L397-T448 CarbonylContact O-C 3.56Å; L397-T448 VanDerWaalsContact O-CA 3.26Å; L397-T448 WeakPolarHBondContact O-CA 3.26Å; G399-T448 PolarHBondContact N-OG1 2.72Å; T448-I463 CarbonylContact O-C 3.53Å; T448-I463 VanDerWaalsContact O-CA 3.31Å; T448-I463 WeakPolarHBondContact O-CA 3.41Å; T448-A464 PolarHBondContact N-O 3.3Å; T448-A464 PolarHBondContact O-N 2.87Å; T448-V602 HydrophobicContact CG2-CG2 3.22Å
449	Y	96.1	Very high	90.4	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129	-174.4	-54.7	-104.2	0	0	0	110.1	I396 L397 A447 I463 W506 L519 G545 G559	I396-Y449 WeakPolarHBondContact CA-O 3.44Å; L397-Y449 HydrophobicContact CB-CD2 4.27Å; L397-Y449 HydrophobicContact CD2-CD2 4.05Å; L397-Y449 HydrophobicContact CD2-CE2 4.35Å; L397-Y449 HydrophobicContact CG-CD2 4.47Å; L397-Y449 PolarHBondContact N-O 3.37Å; L397-Y449 PolarHBondContact O-N 3.37Å; A447-Y449 HydrophobicContact CB-CD2 4.29Å; A447-Y449 HydrophobicContact CB-CE1 4.44Å; A447-Y449 HydrophobicContact CB-CE2 3.58Å; A447-Y449 WeakPolarHBondContact O-CD2 3.11Å; A447-Y449 VanDerWaalsContact O-CE2 3.3Å; A447-Y449 WeakPolarHBondContact O-CE2 3.38Å; Y449-I463 HydrophobicContact CD1-CB 4.39Å; Y449-I463 HydrophobicContact CD1-CD1 3.95Å; Y449-I463 HydrophobicContact CD1-CG1 3.81Å; Y449-I463 HydrophobicContact CD1-CG2 3.69Å; Y449-I463 HydrophobicContact CE1-CD1 4.35Å; Y449-I463 HydrophobicContact CE1-CG2 3.81Å; Y449-I463 HydrophobicContact CG-CG2 4.26Å; Y449-W506 AromaticContact CD1-CE3 3.91Å; Y449-W506 HydrophobicContact CD1-CE3 3.91Å; Y449-W506 HydrophobicContact CD1-CZ3 4.05Å; Y449-W506 HydrophobicContact CE1-CE3 4.29Å; Y449-L519 HydrophobicContact CD1-CB 4.47Å; Y449-L519 HydrophobicContact CD1-CD1 4.49Å; Y449-L519 HydrophobicContact CD1-CD2 4.1Å; Y449-L519 HydrophobicContact CD2-CD1 4.44Å; Y449-L519 HydrophobicContact CE1-CB 4.28Å; Y449-L519 HydrophobicContact CG-CD1 4.29Å; Y449-L519 HydrophobicContact CG-CD2 4.43Å; Y449-G545 WeakPolarHBondContact CE2-O 3.34Å; Y449-G545 PolarHBondContact OH-O 2.89Å; Y449-G559 PolarHBondContact OH-O 2.75Å
450	V	96.2	Very high	91.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	118	168.9	-176.8	0	0	0	0	107.8	I359 L394 Y395 I396 L461 I462 V602	I359-V450 HydrophobicContact CD1-CG1 4.43Å; I359-V450 HydrophobicContact CG2-CG1 4.4Å; I359-V450 HydrophobicContact CG2-CG2 4.35Å; L394-V450 HydrophobicContact CD1-CG1 4.45Å; Y395-V450 WeakPolarHBondContact O-CA 3.27Å; I396-V450 HydrophobicContact CG1-CG1 4.35Å; I396-V450 HydrophobicContact CG1-CG2 4.46Å; V450-L461 WeakPolarHBondContact O-CA 3.44Å; V450-L461 WeakPolarHBondContact O-CB 3.43Å; V450-L461 PolarHBondContact O-N 3.4Å; V450-I462 HydrophobicContact CB-CB 4.46Å; V450-I462 PolarHBondContact N-O 2.93Å; V450-I462 PolarHBondContact O-N 3.01Å; V450-I462 VanDerWaalsContact O-N 3.08Å; V450-I462 VanDerWaalsContact O-O 3.09Å; V450-V602 HydrophobicContact CG2-CB 4.48Å; V450-V602 HydrophobicContact CG2-CG1 3.83Å; V450-V602 HydrophobicContact CG2-CG2 3.76Å
451	F	94.9	Very high	91.9	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.018	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	168.4	-174.5	68	-83.9	0	0	0	112.5	L343 I346 Y395 M453 P458 V459 W506 L519	L343-F451 HydrophobicContact CD2-CZ 4.37Å; I346-F451 HydrophobicContact CD1-CE1 3.93Å; I346-F451 HydrophobicContact CD1-CZ 3.71Å; I346-F451 HydrophobicContact CG2-CE1 4.18Å; I346-F451 HydrophobicContact CG2-CZ 4.29Å; Y395-F451 VanDerWaalsContact CB-CE2 3.47Å; Y395-F451 HydrophobicContact CD1-CE2 4.37Å; Y395-F451 HydrophobicContact CD1-CZ 4.4Å; Y395-F451 HydrophobicContact CG-CD2 4.36Å; Y395-F451 AromaticContact CG-CE2 3.89Å; Y395-F451 HydrophobicContact CG-CE2 3.89Å; Y395-F451 HydrophobicContact CG-CZ 4.1Å; Y395-F451 PolarHBondContact N-O 3.34Å; Y395-F451 WeakPolarHBondContact O-CD1 3.37Å; Y395-F451 PolarHBondContact O-N 2.9Å; F451-M453 HydrophobicContact CD2-SD 4.49Å; F451-M453 HydrophobicContact CE2-SD 4.04Å; F451-P458 HydrophobicContact CD2-CB 3.62Å; F451-P458 HydrophobicContact CE2-CB 3.7Å; F451-V459 WeakPolarHBondContact CA-O 3.29Å; F451-V459 VanDerWaalsContact CB-O 3.31Å; F451-V459 WeakPolarHBondContact CB-O 3.35Å; F451-W506 HydrophobicContact CB-CH2 3.64Å; F451-W506 HydrophobicContact CB-CZ3 4.19Å; F451-W506 HydrophobicContact CD1-CH2 4.36Å; F451-W506 HydrophobicContact CD1-CZ3 4.4Å; F451-W506 HydrophobicContact CD2-CH2 4.22Å; F451-W506 AromaticContact CG-CH2 3.86Å; F451-W506 HydrophobicContact CG-CH2 3.86Å; F451-W506 HydrophobicContact CG-CZ3 4.33Å; F451-L519 HydrophobicContact CD1-CD2 3.97Å; F451-L519 HydrophobicContact CE1-CD1 4.3Å; F451-L519 HydrophobicContact CE1-CD2 3.69Å; F451-L519 HydrophobicContact CZ-CD2 3.99Å
452	K	92.8	Very high	92.1	Very high	57 Å²	57	30.5 Å²	30.5	25%	0.248	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	154	172.3	64.8	-177.8	179.3	-176.3	0	111.6	L394 V459 L461	L394-K452 HydrophobicContact CD2-CB 4.5Å; K452-V459 PolarHBondContact N-O 3.18Å; K452-V459 PolarHBondContact O-N 3.48Å; K452-L461 HydrophobicContact CD-CD1 4.48Å; K452-L461 HydrophobicContact CD-CD2 4.35Å; K452-L461 HydrophobicContact CG-CD1 4.47Å; K452-L461 HydrophobicContact CG-CD2 4.38Å
453	M	89.9	Confident	92.3	Very high	67 Å²	67	30.5 Å²	30.5	33%	0.33	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	125.1	176.4	-66.5	-65.6	-78.3	0	0	109.8	Y395 F451 G456 P458	Y395-M453 HydrophobicContact CD1-CG 4.46Å; Y395-M453 HydrophobicContact CD2-CG 3.82Å; Y395-M453 HydrophobicContact CE1-CG 4.07Å; Y395-M453 HydrophobicContact CE2-CB 3.93Å; Y395-M453 HydrophobicContact CE2-CG 3.38Å; Y395-M453 HydrophobicContact CG-CG 4.35Å; F451-M453 HydrophobicContact CD2-SD 4.49Å; F451-M453 HydrophobicContact CE2-SD 4.04Å; M453-G456 WeakPolarHBondContact CE-O 3.42Å; M453-P458 HydrophobicContact SD-CB 3.86Å
454	K	86.4	Confident	92.4	Very high	132 Å²	132	30.5 Å²	30.5	57%	0.574	17%	0.174	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-124.7	123.8	174	-175	-177.4	175	-177.1	0	109.3	G456 V457 V459	K454-G456 PolarHBondContact O-N 2.98Å; K454-V457 PolarHBondContact N-O 3.38Å; K454-V457 WeakPolarHBondContact O-CB 3.39Å; K454-V457 PolarHBondContact O-N 2.85Å; K454-V459 HydrophobicContact CB-CG2 3.89Å
455	D	85.1	Confident	92.5	Very high	151 Å²	151	30.5 Å²	30.5	81%	0.807	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	28	-179.8	-53.1	-49.2	0	0	0	113.7
456	G	81.1	Confident	92.5	Very high	61 Å²	61	30.5 Å²	30.5	63%	0.629	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.8	-0.2	-175.6	0	0	0	0	0	115.6	M453 K454	M453-G456 WeakPolarHBondContact CE-O 3.42Å; K454-G456 PolarHBondContact O-N 2.98Å
457	V	85.9	Confident	92.4	Very high	86 Å²	86	30.5 Å²	30.5	52%	0.521	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	135.9	-179.8	-175	0	0	0	0	110.2	K454	K454-V457 PolarHBondContact N-O 3.38Å; K454-V457 WeakPolarHBondContact O-CB 3.39Å; K454-V457 PolarHBondContact O-N 2.85Å
458	P	89.1	Confident	92.2	Very high	30 Å²	30	30.5 Å²	30.5	20%	0.195	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	134.9	173	29.5	-35	0	0	0	111.1	F451 M453 W506	F451-P458 HydrophobicContact CD2-CB 3.62Å; F451-P458 HydrophobicContact CE2-CB 3.7Å; M453-P458 HydrophobicContact SD-CB 3.86Å; P458-W506 HydrophobicContact CB-CH2 4.01Å; P458-W506 HydrophobicContact CB-CZ2 3.88Å; P458-W506 HydrophobicContact CG-CZ2 4.27Å
459	V	90.8	Very high	91.9	Very high	42 Å²	42	30.5 Å²	30.5	26%	0.255	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	118.4	177.3	-179.9	0	0	0	0	108.7	F451 K452 K454	F451-V459 WeakPolarHBondContact CA-O 3.29Å; F451-V459 VanDerWaalsContact CB-O 3.31Å; F451-V459 WeakPolarHBondContact CB-O 3.35Å; K452-V459 PolarHBondContact N-O 3.18Å; K452-V459 PolarHBondContact O-N 3.48Å; K454-V459 HydrophobicContact CB-CG2 3.89Å
460	P	92.6	Very high	91.7	Very high	10 Å²	10	32 Å²	32	7%	0.065	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	146.2	-173.4	29.5	-31.5	0	0	0	111.6	I463 W506 Y560 F581 S583	P460-I463 HydrophobicContact CB-CD1 3.96Å; P460-I463 HydrophobicContact CB-CG1 4.37Å; P460-W506 HydrophobicContact CB-CD2 4.42Å; P460-W506 HydrophobicContact CB-CE3 4.33Å; P460-W506 HydrophobicContact CB-CH2 3.77Å; P460-W506 HydrophobicContact CB-CZ2 3.89Å; P460-W506 HydrophobicContact CB-CZ3 3.96Å; P460-W506 VanDerWaalsContact CD-CZ2 3.4Å; P460-W506 HydrophobicContact CG-CH2 4.34Å; P460-W506 HydrophobicContact CG-CZ2 3.94Å; P460-Y560 HydrophobicContact CG-CE2 4.47Å; P460-F581 HydrophobicContact CB-CD1 3.91Å; P460-F581 HydrophobicContact CB-CE1 3.74Å; P460-F581 HydrophobicContact CG-CD1 4.05Å; P460-F581 HydrophobicContact CG-CE1 3.48Å; P460-F581 VanDerWaalsContact CG-CE1 3.48Å; P460-F581 HydrophobicContact CG-CZ 3.99Å; P460-S583 WeakPolarHBondContact O-CB 3.27Å; P460-S583 PolarHBondContact O-OG 2.77Å
461	L	92.1	Very high	91.3	Very high	1 Å²	1	32 Å²	32	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	-57.2	170.9	-60.3	177.9	0	0	0	110	F386 L394 V450 K452 S583 L585	F386-L461 HydrophobicContact CD1-CD2 4.22Å; F386-L461 HydrophobicContact CE1-CB 4.01Å; F386-L461 HydrophobicContact CE1-CD2 4.16Å; F386-L461 HydrophobicContact CZ-CB 4.11Å; F386-L461 WeakPolarHBondContact CZ-O 3.08Å; L394-L461 HydrophobicContact CD2-CD1 3.73Å; V450-L461 WeakPolarHBondContact O-CA 3.44Å; V450-L461 WeakPolarHBondContact O-CB 3.43Å; V450-L461 PolarHBondContact O-N 3.4Å; K452-L461 HydrophobicContact CD-CD1 4.48Å; K452-L461 HydrophobicContact CD-CD2 4.35Å; K452-L461 HydrophobicContact CG-CD1 4.47Å; K452-L461 HydrophobicContact CG-CD2 4.38Å; L461-S583 VanDerWaalsContact O-CB 3.3Å; L461-S583 WeakPolarHBondContact O-CB 3.31Å; L461-S583 PolarHBondContact O-N 3.19Å; L461-L585 HydrophobicContact CD2-CD1 4.39Å
462	I	94.1	Very high	90.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	141.6	169.7	-77.7	179.3	0	0	0	109	I359 V382 F386 V450 F581 I582	I359-I462 HydrophobicContact CB-CD1 4.25Å; I359-I462 HydrophobicContact CG2-CD1 4.2Å; I359-I462 WeakPolarHBondContact O-CD1 3.42Å; V382-I462 HydrophobicContact CB-CG2 4.04Å; V382-I462 HydrophobicContact CG1-CD1 4.27Å; V382-I462 HydrophobicContact CG1-CG1 4.31Å; V382-I462 HydrophobicContact CG1-CG2 4.13Å; F386-I462 HydrophobicContact CE2-CD1 3.78Å; F386-I462 HydrophobicContact CE2-CG1 3.85Å; F386-I462 HydrophobicContact CZ-CD1 4.3Å; F386-I462 HydrophobicContact CZ-CG1 3.88Å; V450-I462 HydrophobicContact CB-CB 4.46Å; V450-I462 PolarHBondContact N-O 2.93Å; V450-I462 PolarHBondContact O-N 3.01Å; V450-I462 VanDerWaalsContact O-N 3.08Å; V450-I462 VanDerWaalsContact O-O 3.09Å; I462-F581 WeakPolarHBondContact CA-O 3.37Å; I462-I582 HydrophobicContact CG1-CG1 4.24Å
463	I	95.5	Very high	89.8	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	119.3	163.3	-55.2	164.2	0	0	0	107.7	A447 T448 Y449 P460 W506 Y560 S580 F581	A447-I463 HydrophobicContact CB-CG2 4.12Å; T448-I463 CarbonylContact O-C 3.53Å; T448-I463 VanDerWaalsContact O-CA 3.31Å; T448-I463 WeakPolarHBondContact O-CA 3.41Å; Y449-I463 HydrophobicContact CD1-CB 4.39Å; Y449-I463 HydrophobicContact CD1-CD1 3.95Å; Y449-I463 HydrophobicContact CD1-CG1 3.81Å; Y449-I463 HydrophobicContact CD1-CG2 3.69Å; Y449-I463 HydrophobicContact CE1-CD1 4.35Å; Y449-I463 HydrophobicContact CE1-CG2 3.81Å; Y449-I463 HydrophobicContact CG-CG2 4.26Å; P460-I463 HydrophobicContact CB-CD1 3.96Å; P460-I463 HydrophobicContact CB-CG1 4.37Å; I463-W506 HydrophobicContact CD1-CD2 4.05Å; I463-W506 HydrophobicContact CD1-CE3 3.39Å; I463-W506 HydrophobicContact CD1-CZ3 3.89Å; I463-W506 HydrophobicContact CG1-CE3 4.36Å; I463-W506 HydrophobicContact CG1-CZ3 4.46Å; I463-Y560 HydrophobicContact CD1-CD2 3.54Å; I463-Y560 HydrophobicContact CD1-CE2 4.47Å; I463-Y560 HydrophobicContact CD1-CG 4.24Å; I463-S580 CarbonylContact O-C 3.47Å; I463-S580 VanDerWaalsContact O-CA 3.3Å; I463-S580 WeakPolarHBondContact O-CA 3.2Å; I463-S580 WeakPolarHBondContact O-CB 3.37Å; I463-F581 HydrophobicContact CB-CB 4.21Å; I463-F581 HydrophobicContact CD1-CB 4.28Å; I463-F581 HydrophobicContact CD1-CD1 4.48Å; I463-F581 PolarHBondContact N-O 2.82Å; I463-F581 PolarHBondContact O-N 2.72Å
464	A	95.9	Very high	88.8	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	120.1	-180	0	0	0	0	0	109.1	G361 G363 V380 V382 A447 T448	G361-A464 VanDerWaalsContact C-CB 3.41Å; G361-A464 WeakPolarHBondContact O-CB 3.2Å; G363-A464 WeakPolarHBondContact CA-O 3.49Å; V380-A464 WeakPolarHBondContact O-CB 3.46Å; V382-A464 HydrophobicContact CG2-CB 4.25Å; A447-A464 VanDerWaalsContact CA-O 3.32Å; A447-A464 WeakPolarHBondContact CA-O 3.39Å; A447-A464 WeakPolarHBondContact CB-O 3.43Å; T448-A464 PolarHBondContact N-O 3.3Å; T448-A464 PolarHBondContact O-N 2.87Å
465	A	96.6	Very high	87.3	Confident	0 Å²	0	29 Å²	29	0%	0	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-70.6	141.8	-169	0	0	0	0	0	113.9	G363 V380 G578 S580	G363-A465 WeakPolarHBondContact CA-O 3.4Å; V380-A465 HydrophobicContact CB-CB 4.24Å; V380-A465 HydrophobicContact CG2-CB 4.04Å; V380-A465 PolarHBondContact N-O 3.15Å; A465-G578 WeakPolarHBondContact CB-O 3.43Å; A465-S580 VanDerWaalsContact CB-OG 3.3Å; A465-S580 WeakPolarHBondContact CB-OG 3.44Å; A465-S580 PolarHBondContact N-OG 3.19Å
466	G	96.1	Very high	85.7	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-77.3	148.5	169.3	0	0	0	0	0	111.8	A364 G557 G558 G578	A364-G466 CarbonylContact O-C 3.56Å; A364-G466 VanDerWaalsContact O-CA 3.24Å; A364-G466 WeakPolarHBondContact O-CA 3.45Å; G466-G557 WeakPolarHBondContact O-CA 3.43Å; G466-G558 PolarHBondContact N-O 3.38Å; G466-G578 PolarHBondContact O-N 2.86Å
467	G	94.2	Very high	84.3	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-77.2	148	176.5	0	0	0	0	0	112.8	A364 G366 H378 G445 D577	A364-G467 PolarHBondContact O-N 2.84Å; G366-G467 WeakPolarHBondContact CA-O 3.41Å; H378-G467 WeakPolarHBondContact O-CA 3.46Å; G445-G467 PolarHBondContact N-O 3.42Å; G467-D577 VanDerWaalsContact CA-OD1 3.29Å; G467-D577 WeakPolarHBondContact CA-OD1 3.46Å
468	G	93.1	Very high	82.3	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-65.3	145.3	175.4	0	0	0	0	0	113.6	G366 S377 G575 D577	G366-G468 WeakPolarHBondContact CA-O 3.38Å; S377-G468 WeakPolarHBondContact CB-O 3.46Å; G468-G575 WeakPolarHBondContact CA-O 3.04Å; G468-D577 PolarHBondContact N-OD1 2.84Å
469	G	91.9	Very high	80.5	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-72.1	145.3	172.3	0	0	0	0	0	111.5	G443 G554 G555 G575	G443-G469 WeakPolarHBondContact O-CA 3.21Å; G469-G554 WeakPolarHBondContact O-CA 2.91Å; G469-G555 PolarHBondContact N-O 3.43Å; G469-G575 PolarHBondContact O-N 2.9Å
470	R	90.8	Very high	78.8	Confident	30 Å²	30	38.2 Å²	38.2	11%	0.113	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-83.5	142.8	178	-61.2	-63.4	-170.4	-170.6	-4.7	111.9	G367 G369 R376 G441 G442 D574	G367-R470 PolarHBondContact O-N 2.99Å; G369-R470 WeakPolarHBondContact CA-O 3.4Å; R376-R470 PolarHBondContact O-NE 2.67Å; R376-R470 PolarHBondContact O-NH2 2.88Å; G441-R470 CarbonylContact C-O 3.43Å; G441-R470 WeakPolarHBondContact CA-O 3.46Å; G442-R470 PolarHBondContact N-O 3.11Å; R470-D574 VanDerWaalsContact CA-OD1 3.26Å; R470-D574 WeakPolarHBondContact CA-OD1 3.42Å; R470-D574 WeakPolarHBondContact CD-OD2 3.45Å; R470-D574 IonicContact CZ-OD2 2.68Å; R470-D574 IonicContact NE-OD2 3.33Å; R470-D574 IonicContact NH1-OD2 2.71Å; R470-D574 PolarHBondContact NH1-OD2 3.12Å
471	A	88	Confident	77.2	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-81.7	166.8	176.1	0	0	0	0	0	112.9	G473 S552 P571 M573 D574	A471-G473 PolarHBondContact O-N 2.8Å; A471-S552 WeakPolarHBondContact CA-O 3.41Å; A471-S552 WeakPolarHBondContact CB-O 3.5Å; A471-P571 VanDerWaalsContact CB-O 3.23Å; A471-P571 WeakPolarHBondContact CB-O 3.41Å; A471-M573 WeakPolarHBondContact CB-O 3.27Å; A471-D574 PolarHBondContact N-OD1 3.28Å
472	Y	82.4	Confident	76.5	Confident	9 Å²	9	45.6 Å²	45.6	4%	0.035	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-21.4	-177.9	176.9	-91.1	0	0	0	114.9	G370 K371 V416 I424 W437 G440 S552	G370-Y472 CarbonylContact O-C 3.36Å; G370-Y472 VanDerWaalsContact O-C 3.3Å; G370-Y472 WeakPolarHBondContact O-CA 3.5Å; K371-Y472 WeakPolarHBondContact CB-O 3.47Å; V416-Y472 HydrophobicContact CG1-CE2 4.01Å; I424-Y472 HydrophobicContact CD1-CE1 4.4Å; I424-Y472 HydrophobicContact CD1-CE2 3.87Å; I424-Y472 HydrophobicContact CG2-CE1 3.9Å; W437-Y472 AromaticContact CH2-CD1 3.33Å; W437-Y472 HydrophobicContact CH2-CD1 3.33Å; W437-Y472 HydrophobicContact CH2-CD2 4.45Å; W437-Y472 HydrophobicContact CH2-CE1 4.02Å; W437-Y472 AromaticContact CH2-CG 3.58Å; W437-Y472 HydrophobicContact CH2-CG 3.58Å; W437-Y472 AromaticContact CZ2-CD1 3.69Å; W437-Y472 HydrophobicContact CZ2-CD1 3.69Å; W437-Y472 HydrophobicContact CZ2-CD2 4.02Å; W437-Y472 HydrophobicContact CZ2-CE1 4.21Å; W437-Y472 HydrophobicContact CZ2-CE2 4.49Å; W437-Y472 AromaticContact CZ2-CG 3.57Å; W437-Y472 HydrophobicContact CZ2-CG 3.57Å; W437-Y472 HydrophobicContact CZ3-CD1 4.44Å; G440-Y472 WeakPolarHBondContact O-CA 3.39Å; G440-Y472 PolarHBondContact O-N 2.89Å; Y472-S552 PolarHBondContact N-O 2.74Å
473	G	73.6	Confident	76.1	Confident	22 Å²	22	52.3 Å²	52.3	23%	0.227	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141.8	16.2	-167.1	0	0	0	0	0	114.5	A471 K475 P571	A471-G473 PolarHBondContact O-N 2.8Å; G473-K475 VanDerWaalsContact O-CG 3.29Å; G473-K475 WeakPolarHBondContact O-CG 3.45Å; G473-K475 PolarHBondContact O-N 2.73Å; G473-P571 CarbonylContact C-O 3.58Å; G473-P571 VanDerWaalsContact CA-O 3.24Å; G473-P571 WeakPolarHBondContact CA-O 3.32Å; G473-P571 PolarHBondContact N-O 3.16Å
474	A	69.2	Low	75.7	Confident	20 Å²	20	55 Å²	55	17%	0.165	28%	0.28	C	S	.	.			trans	-50.8	126.5	-179.1	0	0	0	0	0	112	D574	A474-D574 WeakPolarHBondContact CB-OD1 3.45Å
475	K	55.5	Low	75.4	Confident	147 Å²	147	56.9 Å²	56.9	64%	0.639	29%	0.289	S	S	*	.			trans	-107.2	-5.6	-171.8	-64.3	-171.7	-175.6	143.9	0	115	G473 E572	G473-K475 VanDerWaalsContact O-CG 3.29Å; G473-K475 WeakPolarHBondContact O-CG 3.45Å; G473-K475 PolarHBondContact O-N 2.73Å; K475-E572 WeakPolarHBondContact CD-OE2 3.37Å; K475-E572 VanDerWaalsContact CE-CD 3.42Å; K475-E572 VanDerWaalsContact CE-OE1 3.29Å; K475-E572 WeakPolarHBondContact CE-OE1 3.3Å; K475-E572 WeakPolarHBondContact CE-OE2 3.24Å; K475-E572 IonicContact NZ-OE1 2.72Å; K475-E572 PolarHBondContact NZ-OE1 3.21Å; K475-E572 IonicContact NZ-OE2 3.11Å; K475-E572 PolarHBondContact NZ-OE2 2.93Å
476	T	50.4	Low	75	Confident	94 Å²	94	61.9 Å²	61.9	58%	0.577	32%	0.316	S	S	*	.			trans	-147.8	129.5	-170.9	48.2	0	0	0	0	111.5	T478	T476-T478 VanDerWaalsContact C-N 3.27Å; T476-T478 PolarHBondContact O-N 2.74Å
477	D	51.8	Low	74.4	Confident	92 Å²	92	65.2 Å²	65.2	49%	0.492	33%	0.334	S	S	.	.			trans	-76	78.3	168.8	-60.8	-57.8	0	0	0	110.2	F479	D477-F479 HydrophobicContact CB-CD2 4.47Å; D477-F479 HydrophobicContact CB-CE2 3.79Å; D477-F479 HydrophobicContact CB-CZ 4.26Å; D477-F479 VanDerWaalsContact O-CD2 3.25Å; D477-F479 WeakPolarHBondContact O-CD2 3.27Å; D477-F479 PolarHBondContact O-N 2.96Å
478	T	45.1	Very low	73.7	Confident	87 Å²	87	68.8 Å²	68.8	53%	0.534	36%	0.359	S	S	.	.			trans	-77.3	100.8	172.2	24.9	0	0	0	0	110.6	T476 H480	T476-T478 VanDerWaalsContact C-N 3.27Å; T476-T478 PolarHBondContact O-N 2.74Å; T478-H480 PolarHBondContact O-CD2 3.48Å; T478-H480 PolarHBondContact O-N 3.14Å
479	F	50.1	Low	73	Confident	177 Å²	177	73.3 Å²	73.3	78%	0.776	39%	0.391	S	S	*	.			trans	-77	107.3	172.7	-65.1	-87.4	0	0	0	110.5	D477	D477-F479 HydrophobicContact CB-CD2 4.47Å; D477-F479 HydrophobicContact CB-CE2 3.79Å; D477-F479 HydrophobicContact CB-CZ 4.26Å; D477-F479 VanDerWaalsContact O-CD2 3.25Å; D477-F479 WeakPolarHBondContact O-CD2 3.27Å; D477-F479 PolarHBondContact O-N 2.96Å
480	H	55.6	Low	72.7	Confident	114 Å²	114	75.6 Å²	75.6	53%	0.528	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-87.3	135.6	168.3	-64.7	-81.3	0	0	0	109.8	T478	T478-H480 PolarHBondContact O-CD2 3.48Å; T478-H480 PolarHBondContact O-N 3.14Å
481	P	59.2	Low	72.4	Confident	111 Å²	111	79.3 Å²	79.3	72%	0.721	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-68	145.9	179.5	29	-35.1	0	0	0	111.4
482	E	77.7	Confident	72.2	Confident	55 Å²	55	79.3 Å²	79.3	26%	0.257	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-65.5	137.6	-175.8	-50.7	-41.8	134.4	0	0	112.4	V380 A592 K594	V380-E482 WeakPolarHBondContact CG2-OE2 3.31Å; E482-A592 HydrophobicContact CB-CB 4.07Å; E482-K594 VanDerWaalsContact OE1-CD 3.24Å; E482-K594 WeakPolarHBondContact OE1-CD 3.5Å; E482-K594 VanDerWaalsContact OE1-CG 3.27Å; E482-K594 WeakPolarHBondContact OE1-CG 3.39Å; E482-K594 IonicContact OE1-NZ 3.95Å; E482-K594 PolarHBondContact OE1-NZ 2.83Å; E482-K594 IonicContact OE2-NZ 3.03Å; E482-K594 PolarHBondContact OE2-NZ 3.05Å
483	R	85.1	Confident	72.6	Confident	140 Å²	140	82.5 Å²	82.5	53%	0.528	44%	0.443	S	S	.	.			trans	-106.5	121	-178.5	-64.6	173.5	63.4	-161	-2.8	109.4	V579 S580	R483-V579 HydrophobicContact CB-CB 4.36Å; R483-V579 HydrophobicContact CB-CG1 3.95Å; R483-V579 HydrophobicContact CB-CG2 4.01Å; R483-S580 PolarHBondContact O-N 2.88Å
484	L	88.3	Confident	73.4	Confident	56 Å²	56	82.5 Å²	82.5	29%	0.293	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123	176.3	179.8	64.7	0	0	0	109.2	V382 S580 I582 L588 A592	V382-L484 HydrophobicContact CG1-CD1 4.42Å; V382-L484 HydrophobicContact CG2-CD1 4.36Å; L484-S580 WeakPolarHBondContact CA-O 3.45Å; L484-I582 HydrophobicContact CD1-CB 4.43Å; L484-I582 HydrophobicContact CD1-CG2 4.22Å; L484-I582 HydrophobicContact CD2-CG2 4.24Å; L484-I582 HydrophobicContact CG-CG2 4.4Å; L484-L588 HydrophobicContact CD2-CD1 3.89Å; L484-L588 HydrophobicContact CD2-CD2 3.66Å; L484-L588 HydrophobicContact CD2-CG 4.45Å; L484-A592 HydrophobicContact CB-CB 4.21Å
485	E	89.6	Confident	74.4	Confident	40 Å²	40	81.8 Å²	81.8	19%	0.187	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	145.2	171.6	-175.8	54.1	-96.4	0	0	110	N487 V490 Y560 V579 S580 F581 I582	E485-N487 WeakPolarHBondContact OE1-CB 3.45Å; E485-N487 PolarHBondContact OE1-N 3.19Å; E485-V490 HydrophobicContact CG-CB 4.22Å; E485-V490 HydrophobicContact CG-CG1 4.43Å; E485-Y560 HydrophobicContact CB-CD1 4.09Å; E485-Y560 HydrophobicContact CB-CE1 4.47Å; E485-Y560 HydrophobicContact CG-CD1 3.96Å; E485-Y560 HydrophobicContact CG-CE1 3.84Å; E485-V579 HydrophobicContact CB-CG1 4.2Å; E485-S580 PolarHBondContact N-O 3.13Å; E485-F581 HydrophobicContact CB-CD2 4.05Å; E485-F581 HydrophobicContact CG-CD2 3.97Å; E485-F581 HydrophobicContact CG-CE2 4.47Å; E485-F581 VanDerWaalsContact O-CA 3.27Å; E485-F581 WeakPolarHBondContact O-CA 3.32Å; E485-I582 PolarHBondContact O-N 3.33Å
486	N	87.3	Confident	76	Confident	106 Å²	106	80.6 Å²	80.6	57%	0.567	43%	0.433	S	S	*	.			trans	-130.9	-11	175.8	67.4	19.7	0	0	0	113.3	S488 I582	N486-S488 PolarHBondContact O-N 3.24Å; N486-I582 WeakPolarHBondContact CA-O 2.99Å; N486-I582 HydrophobicContact CB-CG2 4.25Å
487	N	84	Confident	77.6	Confident	69 Å²	69	78 Å²	78	37%	0.369	42%	0.419	S	S	.	.			trans	-92.5	103.5	-179.4	-177.1	0.2	0	0	0	110.2	E485 S489 V490	E485-N487 WeakPolarHBondContact OE1-CB 3.45Å; E485-N487 PolarHBondContact OE1-N 3.19Å; N487-S489 PolarHBondContact O-N 3.38Å; N487-S489 WeakPolarHBondContact OD1-CB 3.4Å; N487-S489 PolarHBondContact OD1-N 2.75Å; N487-S489 PolarHBondContact OD1-OG 3.06Å; N487-V490 HydrophobicContact CB-CG2 4.1Å; N487-V490 WeakPolarHBondContact O-CB 3.46Å; N487-V490 PolarHBondContact O-N 3.5Å
488	S	78.7	Confident	79	Confident	75 Å²	75	74.5 Å²	74.5	52%	0.524	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-0	175.7	62.3	0	0	0	0	115.2	N486	N486-S488 PolarHBondContact O-N 3.24Å
489	S	79.5	Confident	80.6	Confident	96 Å²	96	71.1 Å²	71.1	67%	0.671	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-17.3	171.6	-37.1	0	0	0	0	112.9	N487	N487-S489 PolarHBondContact O-N 3.38Å; N487-S489 WeakPolarHBondContact OD1-CB 3.4Å; N487-S489 PolarHBondContact OD1-N 2.75Å; N487-S489 PolarHBondContact OD1-OG 3.06Å
490	V	84.5	Confident	82.4	Confident	48 Å²	48	62.7 Å²	62.7	29%	0.291	35%	0.349	S	S	.	.	S	Bend	trans	-74.2	136	172.7	176.4	0	0	0	0	108.2	E485 N487 Y560 I561	E485-V490 HydrophobicContact CG-CB 4.22Å; E485-V490 HydrophobicContact CG-CG1 4.43Å; N487-V490 HydrophobicContact CB-CG2 4.1Å; N487-V490 WeakPolarHBondContact O-CB 3.46Å; N487-V490 PolarHBondContact O-N 3.5Å; V490-Y560 PolarHBondContact O-OH 3.06Å; V490-I561 HydrophobicContact CG1-CD1 4.25Å
491	L	84	Confident	84.1	Confident	108 Å²	108	57.3 Å²	57.3	57%	0.565	32%	0.324	S	S	*	.			trans	-76.6	129.1	-179.7	-64.8	175.2	0	0	0	110.3	L493	L491-L493 VanDerWaalsContact C-N 3.27Å; L491-L493 HydrophobicContact CB-CD1 4.46Å; L491-L493 HydrophobicContact CB-CD2 3.72Å; L491-L493 HydrophobicContact CB-CG 3.83Å; L491-L493 HydrophobicContact CD1-CD2 4.3Å; L491-L493 PolarHBondContact O-N 3.4Å
492	G	85.1	Confident	85.7	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.29	C	S	.	.			trans	-81.9	74.1	175.1	0	0	0	0	0	111.3	W506 N507 Y560	G492-W506 PolarHBondContact O-N 2.79Å; G492-N507 PolarHBondContact N-OD1 3.06Å; G492-N507 VanDerWaalsContact N-OD1 3.13Å; G492-N507 PolarHBondContact O-N 3.31Å; G492-N507 VanDerWaalsContact O-N 3.14Å; G492-N507 PolarHBondContact O-OD1 2.84Å; G492-Y560 CarbonylContact C-O 3.57Å; G492-Y560 WeakPolarHBondContact CA-O 3.38Å
493	L	90.1	Very high	86.6	Confident	75 Å²	75	49.4 Å²	49.4	39%	0.393	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-78.4	158.8	-173.5	-59.4	179.8	0	0	0	112.9	L491 D508 I561 G562	L491-L493 VanDerWaalsContact C-N 3.27Å; L491-L493 HydrophobicContact CB-CD1 4.46Å; L491-L493 HydrophobicContact CB-CD2 3.72Å; L491-L493 HydrophobicContact CB-CG 3.83Å; L491-L493 HydrophobicContact CD1-CD2 4.3Å; L491-L493 PolarHBondContact O-N 3.4Å; L493-D508 HydrophobicContact CD2-CB 3.85Å; L493-I561 CarbonylContact O-C 3.54Å; L493-I561 VanDerWaalsContact O-CA 3.27Å; L493-I561 WeakPolarHBondContact O-CA 3.49Å; L493-G562 PolarHBondContact O-N 2.8Å
494	N	90.8	Very high	87	Confident	22 Å²	22	42.7 Å²	42.7	12%	0.118	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-73.4	151.5	170.5	-55.6	-69.7	0	0	0	110.9	G504 G505 D508 N509 T510	N494-G504 WeakPolarHBondContact OD1-CA 3.46Å; N494-G505 PolarHBondContact OD1-N 2.87Å; N494-D508 PolarHBondContact N-OD2 3.02Å; N494-D508 VanDerWaalsContact ND2-CB 3.31Å; N494-D508 WeakPolarHBondContact ND2-CB 3.27Å; N494-D508 VanDerWaalsContact ND2-CG 3.26Å; N494-D508 PolarHBondContact ND2-O 2.93Å; N494-D508 PolarHBondContact ND2-OD2 2.63Å; N494-N509 PolarHBondContact ND2-N 2.88Å; N494-T510 HydrophobicContact CB-CG2 3.65Å; N494-T510 VanDerWaalsContact ND2-CG2 3.35Å; N494-T510 WeakPolarHBondContact ND2-CG2 3.3Å
495	G	89.1	Confident	87.2	Confident	6 Å²	6	40 Å²	40	6%	0.062	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-69.8	149.6	177.2	0	0	0	0	0	112.4	S497 G503 G562	G495-S497 PolarHBondContact O-N 2.9Å; G495-S497 PolarHBondContact O-OG 3.31Å; G495-G503 PolarHBondContact N-O 2.89Å; G495-G562 WeakPolarHBondContact CA-O 3.39Å
496	N	89.8	Confident	87.3	Confident	121 Å²	121	38.8 Å²	38.8	65%	0.647	23%	0.232	S	C	*	.			trans	-59.4	113.2	178.4	-71.1	-69.7	0	0	0	109.9	N564 A565	N496-N564 HydrophobicContact CB-CB 4.31Å; N496-N564 WeakPolarHBondContact CB-OD1 3.28Å; N496-N564 PolarHBondContact N-OD1 2.97Å; N496-N564 PolarHBondContact ND2-OD1 3.12Å; N496-A565 PolarHBondContact O-N 3.09Å
497	S	85.2	Confident	87.2	Confident	39 Å²	39	36.4 Å²	36.4	27%	0.273	22%	0.219	S	C	.	.			trans	-88.1	116.9	179.2	-67.4	0	0	0	0	109.8	G495 G502 A515	G495-S497 PolarHBondContact O-N 2.9Å; G495-S497 PolarHBondContact O-OG 3.31Å; S497-G502 PolarHBondContact OG-N 3.32Å; S497-A515 WeakPolarHBondContact OG-CB 3.08Å
498	G	79.3	Confident	87.2	Confident	19 Å²	19	36.1 Å²	36.1	20%	0.196	22%	0.218	C	C	.	.	S	Bend	trans	-97	-129.6	178.1	0	0	0	0	0	111.3	A500 W514	G498-A500 CarbonylContact C-O 3.54Å; G498-A500 PolarHBondContact N-O 2.87Å; G498-W514 PolarHBondContact O-NE1 3.03Å
499	A	80	Confident	87.4	Confident	17 Å²	17	38.3 Å²	38.3	14%	0.14	22%	0.224	C	C	.	.	S	Bend	trans	-73.6	-39.6	168.9	0	0	0	0	0	111.8	C529 A566 N569	A499-C529 WeakPolarHBondContact O-CB 3.35Å; A499-A566 PolarHBondContact N-O 3.38Å; A499-A566 VanDerWaalsContact N-O 3.13Å; A499-N569 HydrophobicContact CB-CB 3.38Å
500	A	87.6	Confident	87.4	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-86.5	163.3	162.4	0	0	0	0	0	111.1	G498 C551 S553 G554 A565	G498-A500 CarbonylContact C-O 3.54Å; G498-A500 PolarHBondContact N-O 2.87Å; A500-C551 HydrophobicContact CB-CB 3.72Å; A500-S553 WeakPolarHBondContact CB-OG 3.46Å; A500-G554 WeakPolarHBondContact CB-O 3.3Å; A500-A565 HydrophobicContact CB-CB 4.05Å; A500-A565 WeakPolarHBondContact O-CB 3.48Å
501	G	91.2	Very high	87	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-74.7	131.1	179.5	0	0	0	0	0	112.5	W514 G549 G555 G556 A565	G501-W514 WeakPolarHBondContact CA-O 3.48Å; G501-G549 PolarHBondContact N-O 2.83Å; G501-G555 CarbonylContact O-C 3.53Å; G501-G555 WeakPolarHBondContact O-CA 3.12Å; G501-G556 PolarHBondContact O-N 2.94Å; G501-A565 WeakPolarHBondContact O-CB 3.49Å
502	G	93.8	Very high	87	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-69.4	159.6	160.4	0	0	0	0	0	110.4	S497 G516 G548 G563	S497-G502 PolarHBondContact OG-N 3.32Å; G502-G516 PolarHBondContact O-N 2.96Å; G502-G548 WeakPolarHBondContact O-CA 3.21Å; G502-G563 CarbonylContact C-O 3.46Å; G502-G563 WeakPolarHBondContact CA-O 3.38Å
503	G	95.2	Very high	86.9	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-70.4	155.9	175.1	0	0	0	0	0	112.9	G495 G546 G556 G557 G563	G495-G503 PolarHBondContact N-O 2.89Å; G503-G546 CarbonylContact C-O 3.59Å; G503-G546 WeakPolarHBondContact CA-O 3.45Å; G503-G556 WeakPolarHBondContact CA-O 3.36Å; G503-G557 WeakPolarHBondContact CA-O 3.09Å; G503-G563 PolarHBondContact N-O 3.33Å
504	G	94.3	Very high	86.9	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-76.1	143.2	170.3	0	0	0	0	0	111.6	N494 G516 G546 G559	N494-G504 WeakPolarHBondContact OD1-CA 3.46Å; G504-G516 VanDerWaalsContact CA-O 3.22Å; G504-G516 WeakPolarHBondContact CA-O 3.39Å; G504-G516 PolarHBondContact N-O 3.17Å; G504-G546 PolarHBondContact N-O 3.38Å; G504-G559 PolarHBondContact O-N 2.85Å
505	G	92.3	Very high	87	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.225	C	C	.	.			trans	-101.1	-164.8	174.1	0	0	0	0	0	113.4	N494 S518 L519 G559 Y560	N494-G505 PolarHBondContact OD1-N 2.87Å; G505-S518 WeakPolarHBondContact O-CA 3.38Å; G505-S518 WeakPolarHBondContact O-CB 3.27Å; G505-L519 PolarHBondContact O-N 3.43Å; G505-G559 CarbonylContact C-O 3.43Å; G505-G559 WeakPolarHBondContact CA-O 3.27Å; G505-Y560 CarbonylContact C-O 3.59Å; G505-Y560 WeakPolarHBondContact CA-O 3.3Å
506	W	92.4	Very high	87.2	Confident	13 Å²	13	38.9 Å²	38.9	5%	0.049	22%	0.222	C	C	.	.	S	Bend	trans	-76.1	-50.1	-180	176.7	-113.9	0	0	0	114.5	Y449 F451 P458 P460 I463 G492 L519 Y560	Y449-W506 AromaticContact CD1-CE3 3.91Å; Y449-W506 HydrophobicContact CD1-CE3 3.91Å; Y449-W506 HydrophobicContact CD1-CZ3 4.05Å; Y449-W506 HydrophobicContact CE1-CE3 4.29Å; F451-W506 HydrophobicContact CB-CH2 3.64Å; F451-W506 HydrophobicContact CB-CZ3 4.19Å; F451-W506 HydrophobicContact CD1-CH2 4.36Å; F451-W506 HydrophobicContact CD1-CZ3 4.4Å; F451-W506 HydrophobicContact CD2-CH2 4.22Å; F451-W506 AromaticContact CG-CH2 3.86Å; F451-W506 HydrophobicContact CG-CH2 3.86Å; F451-W506 HydrophobicContact CG-CZ3 4.33Å; P458-W506 HydrophobicContact CB-CH2 4.01Å; P458-W506 HydrophobicContact CB-CZ2 3.88Å; P458-W506 HydrophobicContact CG-CZ2 4.27Å; P460-W506 HydrophobicContact CB-CD2 4.42Å; P460-W506 HydrophobicContact CB-CE3 4.33Å; P460-W506 HydrophobicContact CB-CH2 3.77Å; P460-W506 HydrophobicContact CB-CZ2 3.89Å; P460-W506 HydrophobicContact CB-CZ3 3.96Å; P460-W506 VanDerWaalsContact CD-CZ2 3.4Å; P460-W506 HydrophobicContact CG-CH2 4.34Å; P460-W506 HydrophobicContact CG-CZ2 3.94Å; I463-W506 HydrophobicContact CD1-CD2 4.05Å; I463-W506 HydrophobicContact CD1-CE3 3.39Å; I463-W506 HydrophobicContact CD1-CZ3 3.89Å; I463-W506 HydrophobicContact CG1-CE3 4.36Å; I463-W506 HydrophobicContact CG1-CZ3 4.46Å; G492-W506 PolarHBondContact O-N 2.79Å; W506-L519 HydrophobicContact CE3-CB 4.48Å; W506-L519 HydrophobicContact CE3-CD2 3.64Å; W506-L519 HydrophobicContact CH2-CD2 3.7Å; W506-L519 HydrophobicContact CZ3-CD2 3.15Å; W506-Y560 HydrophobicContact CB-CD2 3.48Å; W506-Y560 VanDerWaalsContact CB-CD2 3.48Å; W506-Y560 HydrophobicContact CB-CE2 3.73Å; W506-Y560 HydrophobicContact CB-CG 4.42Å; W506-Y560 AromaticContact CD1-CE2 3.66Å; W506-Y560 HydrophobicContact CD2-CD2 4.42Å; W506-Y560 HydrophobicContact CD2-CE2 4.38Å; W506-Y560 AromaticContact CG-CD2 3.79Å; W506-Y560 HydrophobicContact CG-CD2 3.79Å; W506-Y560 AromaticContact CG-CE2 3.65Å; W506-Y560 HydrophobicContact CG-CE2 3.65Å; W506-Y560 PolarHBondContact N-O 2.86Å
507	N	85.3	Confident	87.4	Confident	57 Å²	57	34.8 Å²	34.8	31%	0.305	20%	0.199	S	C	.	.	S	Bend	trans	-143.8	23.1	-161.9	66.8	-31.2	0	0	0	116.3	G492	G492-N507 PolarHBondContact N-OD1 3.06Å; G492-N507 VanDerWaalsContact N-OD1 3.13Å; G492-N507 PolarHBondContact O-N 3.31Å; G492-N507 VanDerWaalsContact O-N 3.14Å; G492-N507 PolarHBondContact O-OD1 2.84Å
508	D	83.4	Confident	87.8	Confident	63 Å²	63	33 Å²	33	34%	0.337	19%	0.186	S	C	.	.			trans	-117.2	160.9	180	176.3	43.7	0	0	0	112	L493 N494 S518	L493-D508 HydrophobicContact CD2-CB 3.85Å; N494-D508 PolarHBondContact N-OD2 3.02Å; N494-D508 VanDerWaalsContact ND2-CB 3.31Å; N494-D508 WeakPolarHBondContact ND2-CB 3.27Å; N494-D508 VanDerWaalsContact ND2-CG 3.26Å; N494-D508 PolarHBondContact ND2-O 2.93Å; N494-D508 PolarHBondContact ND2-OD2 2.63Å; D508-S518 WeakPolarHBondContact O-CB 3.39Å; D508-S518 PolarHBondContact O-OG 3.45Å
509	N	83.1	Confident	88.4	Confident	121 Å²	121	32.4 Å²	32.4	65%	0.647	18%	0.178	S	C	*	.			trans	-113.9	119.9	-167.5	-174.5	22.5	0	0	0	113.1	N494 E521	N494-N509 PolarHBondContact ND2-N 2.88Å; N509-E521 PolarHBondContact OD1-OE1 3.08Å
510	T	80	Confident	88.6	Confident	14 Å²	14	36.5 Å²	36.5	9%	0.086	19%	0.194	C	C	.	.			trans	-92.5	131.8	-177.2	59.9	0	0	0	0	112.9	N494 A515 K517 E521	N494-T510 HydrophobicContact CB-CG2 3.65Å; N494-T510 VanDerWaalsContact ND2-CG2 3.35Å; N494-T510 WeakPolarHBondContact ND2-CG2 3.3Å; T510-A515 HydrophobicContact CG2-CB 3.98Å; T510-K517 PolarHBondContact O-NZ 3.28Å; T510-K517 VanDerWaalsContact OG1-CD 3.31Å; T510-K517 WeakPolarHBondContact OG1-CD 3.35Å; T510-K517 VanDerWaalsContact OG1-CE 3.28Å; T510-K517 WeakPolarHBondContact OG1-CE 3.39Å; T510-K517 PolarHBondContact OG1-NZ 2.88Å; T510-E521 PolarHBondContact N-OE2 3.4Å; T510-E521 PolarHBondContact OG1-OE2 3.02Å
511	S	74.6	Confident	88.7	Confident	117 Å²	117	39.1 Å²	39.1	82%	0.818	21%	0.207	S	C	*	.			trans	-89.9	-15.3	176.1	58.7	0	0	0	0	114.5
512	L	84.2	Confident	88.5	Confident	55 Å²	55	39.8 Å²	39.8	29%	0.288	21%	0.214	S	C	.	.			trans	-96.2	140.4	-173.3	-58.5	179.1	0	0	0	111.6	W514 A515	L512-W514 VanDerWaalsContact C-N 3.29Å; L512-W514 HydrophobicContact CB-CD2 4.2Å; L512-W514 HydrophobicContact CB-CE3 4.45Å; L512-W514 HydrophobicContact CB-CZ2 4.42Å; L512-W514 HydrophobicContact CD1-CZ2 3.95Å; L512-W514 HydrophobicContact CD2-CH2 3.88Å; L512-W514 HydrophobicContact CD2-CZ2 3.89Å; L512-W514 HydrophobicContact CD2-CZ3 4.46Å; L512-W514 HydrophobicContact CG-CZ2 4.31Å; L512-W514 PolarHBondContact O-N 3.01Å; L512-A515 HydrophobicContact CB-CB 4.28Å
513	L	84.4	Confident	88.5	Confident	126 Å²	126	39.9 Å²	39.9	66%	0.66	21%	0.214	S	C	*	.	S	Bend	trans	-72.8	-20.7	180	-65.8	173.1	0	0	0	113.5	H527	L513-H527 WeakPolarHBondContact O-CB 3.32Å; L513-H527 PolarHBondContact O-CD2 2.82Å; L513-H527 PolarHBondContact O-N 2.68Å
514	W	89.3	Confident	88.4	Confident	52 Å²	52	41.7 Å²	41.7	20%	0.197	23%	0.225	C	C	.	.	S	Bend	trans	-92.9	-16.9	179.8	53.6	100.3	0	0	0	114.2	G498 G501 L512 G526 H527 P530 G549	G498-W514 PolarHBondContact O-NE1 3.03Å; G501-W514 WeakPolarHBondContact CA-O 3.48Å; L512-W514 VanDerWaalsContact C-N 3.29Å; L512-W514 HydrophobicContact CB-CD2 4.2Å; L512-W514 HydrophobicContact CB-CE3 4.45Å; L512-W514 HydrophobicContact CB-CZ2 4.42Å; L512-W514 HydrophobicContact CD1-CZ2 3.95Å; L512-W514 HydrophobicContact CD2-CH2 3.88Å; L512-W514 HydrophobicContact CD2-CZ2 3.89Å; L512-W514 HydrophobicContact CD2-CZ3 4.46Å; L512-W514 HydrophobicContact CG-CZ2 4.31Å; L512-W514 PolarHBondContact O-N 3.01Å; W514-G526 WeakPolarHBondContact O-CA 3.21Å; W514-H527 WeakPolarHBondContact CA-O 3.02Å; W514-H527 WeakPolarHBondContact CB-O 3.47Å; W514-P530 HydrophobicContact CE3-CG 3.93Å; W514-P530 HydrophobicContact CH2-CG 4.42Å; W514-P530 HydrophobicContact CZ3-CG 3.64Å; W514-G549 PolarHBondContact O-N 2.95Å
515	A	92.4	Very high	88.4	Confident	2 Å²	2	41.8 Å²	41.8	2%	0.017	23%	0.226	C	C	.	.	S	Bend	trans	-65.1	145.5	170.9	0	0	0	0	0	110.8	S497 T510 L512 G526	S497-A515 WeakPolarHBondContact OG-CB 3.08Å; T510-A515 HydrophobicContact CG2-CB 3.98Å; L512-A515 HydrophobicContact CB-CB 4.28Å; A515-G526 VanDerWaalsContact O-CA 3.29Å; A515-G526 WeakPolarHBondContact O-CA 3.4Å
516	G	93.9	Very high	88.5	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-65.1	134.9	164.8	0	0	0	0	0	109.6	G502 G504 G547	G502-G516 PolarHBondContact O-N 2.96Å; G504-G516 VanDerWaalsContact CA-O 3.22Å; G504-G516 WeakPolarHBondContact CA-O 3.39Å; G504-G516 PolarHBondContact N-O 3.17Å; G516-G547 WeakPolarHBondContact CA-O 3.29Å
517	K	94.2	Very high	88.4	Confident	36 Å²	36	45.4 Å²	45.4	16%	0.157	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-77.7	143.5	179.9	-68.6	-77.4	163.8	-170.2	0	110.3	T510 E521 A523 T524 G546	T510-K517 PolarHBondContact O-NZ 3.28Å; T510-K517 VanDerWaalsContact OG1-CD 3.31Å; T510-K517 WeakPolarHBondContact OG1-CD 3.35Å; T510-K517 VanDerWaalsContact OG1-CE 3.28Å; T510-K517 WeakPolarHBondContact OG1-CE 3.39Å; T510-K517 PolarHBondContact OG1-NZ 2.88Å; K517-E521 HydrophobicContact CB-CB 3.88Å; K517-E521 HydrophobicContact CD-CB 3.83Å; K517-E521 HydrophobicContact CD-CG 4.24Å; K517-E521 WeakPolarHBondContact CD-OE1 3.38Å; K517-E521 WeakPolarHBondContact CD-OE2 3.24Å; K517-E521 WeakPolarHBondContact CE-OE1 3.36Å; K517-E521 HydrophobicContact CG-CB 4.4Å; K517-E521 IonicContact NZ-OE1 2.91Å; K517-E521 PolarHBondContact NZ-OE1 2.93Å; K517-E521 IonicContact NZ-OE2 3.9Å; K517-A523 WeakPolarHBondContact O-CA 3.48Å; K517-T524 WeakPolarHBondContact CB-O 3.48Å; K517-T524 VanDerWaalsContact CG-OG1 3.24Å; K517-T524 WeakPolarHBondContact CG-OG1 3.47Å; K517-T524 PolarHBondContact N-O 2.9Å; K517-G546 WeakPolarHBondContact O-CA 3.37Å
518	S	93.2	Very high	88.5	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.007	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-70.2	167.6	174.9	69.8	0	0	0	0	112	G505 D508 Q520 E521 G522 A523	G505-S518 WeakPolarHBondContact O-CA 3.38Å; G505-S518 WeakPolarHBondContact O-CB 3.27Å; D508-S518 WeakPolarHBondContact O-CB 3.39Å; D508-S518 PolarHBondContact O-OG 3.45Å; S518-Q520 PolarHBondContact O-N 3.47Å; S518-E521 CarbonylContact O-C 3.51Å; S518-E521 WeakPolarHBondContact O-CA 3.3Å; S518-E521 PolarHBondContact O-N 3.28Å; S518-E521 PolarHBondContact OG-N 2.73Å; S518-G522 PolarHBondContact O-N 2.89Å; S518-A523 WeakPolarHBondContact O-CA 3.39Å; S518-A523 PolarHBondContact O-N 2.92Å
519	L	91	Very high	88.6	Confident	6 Å²	6	40.1 Å²	40.1	3%	0.031	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-57.9	-36.3	176.2	-171.4	68.3	0	0	0	112.9	I346 L397 Y449 F451 G505 W506 E521 G522 A523	I346-L519 HydrophobicContact CD1-CD1 3.8Å; L397-L519 HydrophobicContact CD2-CD1 4.06Å; Y449-L519 HydrophobicContact CD1-CB 4.47Å; Y449-L519 HydrophobicContact CD1-CD1 4.49Å; Y449-L519 HydrophobicContact CD1-CD2 4.1Å; Y449-L519 HydrophobicContact CD2-CD1 4.44Å; Y449-L519 HydrophobicContact CE1-CB 4.28Å; Y449-L519 HydrophobicContact CG-CD1 4.29Å; Y449-L519 HydrophobicContact CG-CD2 4.43Å; F451-L519 HydrophobicContact CD1-CD2 3.97Å; F451-L519 HydrophobicContact CE1-CD1 4.3Å; F451-L519 HydrophobicContact CE1-CD2 3.69Å; F451-L519 HydrophobicContact CZ-CD2 3.99Å; G505-L519 PolarHBondContact O-N 3.43Å; W506-L519 HydrophobicContact CE3-CB 4.48Å; W506-L519 HydrophobicContact CE3-CD2 3.64Å; W506-L519 HydrophobicContact CH2-CD2 3.7Å; W506-L519 HydrophobicContact CZ3-CD2 3.15Å; L519-E521 VanDerWaalsContact C-N 3.26Å; L519-E521 PolarHBondContact O-N 3.3Å; L519-G522 PolarHBondContact O-N 2.91Å; L519-A523 HydrophobicContact CD1-CB 4.08Å
520	Q	85.4	Confident	88.6	Confident	103 Å²	103	37.4 Å²	37.4	48%	0.481	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-72.3	-17.8	176.5	-63.2	-168.1	11.8	0	0	113.7	S518	S518-Q520 PolarHBondContact O-N 3.47Å
521	E	88.4	Confident	88.4	Confident	56 Å²	56	40.9 Å²	40.9	26%	0.262	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-91.4	5.4	168.6	-67.1	-168.4	84.3	0	0	113	N509 T510 K517 S518 L519	N509-E521 PolarHBondContact OD1-OE1 3.08Å; T510-E521 PolarHBondContact N-OE2 3.4Å; T510-E521 PolarHBondContact OG1-OE2 3.02Å; K517-E521 HydrophobicContact CB-CB 3.88Å; K517-E521 HydrophobicContact CD-CB 3.83Å; K517-E521 HydrophobicContact CD-CG 4.24Å; K517-E521 WeakPolarHBondContact CD-OE1 3.38Å; K517-E521 WeakPolarHBondContact CD-OE2 3.24Å; K517-E521 WeakPolarHBondContact CE-OE1 3.36Å; K517-E521 HydrophobicContact CG-CB 4.4Å; K517-E521 IonicContact NZ-OE1 2.91Å; K517-E521 PolarHBondContact NZ-OE1 2.93Å; K517-E521 IonicContact NZ-OE2 3.9Å; S518-E521 CarbonylContact O-C 3.51Å; S518-E521 WeakPolarHBondContact O-CA 3.3Å; S518-E521 PolarHBondContact O-N 3.28Å; S518-E521 PolarHBondContact OG-N 2.73Å; L519-E521 VanDerWaalsContact C-N 3.26Å; L519-E521 PolarHBondContact O-N 3.3Å
522	G	88.4	Confident	88.5	Confident	14 Å²	14	35.3 Å²	35.3	14%	0.144	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	15.8	-178.9	0	0	0	0	0	115	S518 L519 T524	S518-G522 PolarHBondContact O-N 2.89Å; L519-G522 PolarHBondContact O-N 2.91Å; G522-T524 PolarHBondContact O-N 3.2Å
523	A	92.9	Very high	88	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.008	19%	0.188	C	C	.	.			trans	53.2	24.6	171.8	0	0	0	0	0	116.2	L397 K517 S518 L519 G545 G546	L397-A523 HydrophobicContact CD2-CB 3.28Å; K517-A523 WeakPolarHBondContact O-CA 3.48Å; S518-A523 WeakPolarHBondContact O-CA 3.39Å; S518-A523 PolarHBondContact O-N 2.92Å; L519-A523 HydrophobicContact CD1-CB 4.08Å; A523-G545 CarbonylContact O-C 3.3Å; A523-G545 PolarHBondContact O-N 3.03Å; A523-G546 PolarHBondContact O-N 2.86Å
524	T	93.7	Very high	87.6	Confident	39 Å²	39	40 Å²	40	24%	0.239	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-69.5	143	-179.2	60.8	0	0	0	0	112	P316 K517 G522	P316-T524 CarbonylContact O-C 3.53Å; P316-T524 WeakPolarHBondContact O-CA 3.4Å; P316-T524 WeakPolarHBondContact O-CB 3.47Å; K517-T524 WeakPolarHBondContact CB-O 3.48Å; K517-T524 VanDerWaalsContact CG-OG1 3.24Å; K517-T524 WeakPolarHBondContact CG-OG1 3.47Å; K517-T524 PolarHBondContact N-O 2.9Å; G522-T524 PolarHBondContact O-N 3.2Å
525	G	94.5	Very high	86.6	Confident	2 Å²	2	41 Å²	41	2%	0.021	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-66	144.8	176.3	0	0	0	0	0	112.6	P316 G542 G543 G547	P316-G525 VanDerWaalsContact CB-O 3.26Å; P316-G525 WeakPolarHBondContact CB-O 3.19Å; P316-G525 PolarHBondContact O-N 2.04Å; G525-G542 WeakPolarHBondContact CA-O 3.48Å; G525-G543 WeakPolarHBondContact CA-O 3.44Å; G525-G547 CarbonylContact C-O 3.44Å; G525-G547 WeakPolarHBondContact CA-O 3.39Å
526	G	93.6	Very high	85.4	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.01	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-71.9	145.8	-178.5	0	0	0	0	0	113.4	W514 A515 R541 G542 G547 G549	W514-G526 WeakPolarHBondContact O-CA 3.21Å; A515-G526 VanDerWaalsContact O-CA 3.29Å; A515-G526 WeakPolarHBondContact O-CA 3.4Å; G526-R541 WeakPolarHBondContact O-CA 3.34Å; G526-G542 PolarHBondContact O-N 3.4Å; G526-G547 PolarHBondContact N-O 2.85Å; G526-G549 WeakPolarHBondContact O-CA 3.43Å
527	H	91.2	Very high	84.3	Confident	88 Å²	88	46.5 Å²	46.5	41%	0.407	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-75.7	162	173.7	-66.1	-84	0	0	0	112.3	L513 W514 G549	L513-H527 WeakPolarHBondContact O-CB 3.32Å; L513-H527 PolarHBondContact O-CD2 2.82Å; L513-H527 PolarHBondContact O-N 2.68Å; W514-H527 WeakPolarHBondContact CA-O 3.02Å; W514-H527 WeakPolarHBondContact CB-O 3.47Å; H527-G549 WeakPolarHBondContact O-CA 3.45Å
528	S	87.8	Confident	83.5	Confident	8 Å²	8	44.9 Å²	44.9	6%	0.056	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-62	154.1	171.1	-56	0	0	0	0	112.6	T540 G550	S528-T540 WeakPolarHBondContact OG-CA 3.46Å; S528-T540 PolarHBondContact OG-N 2.99Å; S528-T540 PolarHBondContact OG-O 2.76Å; S528-T540 PolarHBondContact OG-OG1 3.22Å; S528-G550 WeakPolarHBondContact CA-O 3.13Å
529	C	85.1	Confident	83	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-58.1	139.7	176.5	67.2	0	0	0	0	111.3	A438 A499 Q531 A532 G550 C551	A438-C529 PolarHBondContact O-SG 3.24Å; A499-C529 WeakPolarHBondContact O-CB 3.35Å; C529-Q531 PolarHBondContact O-N 2.87Å; C529-A532 WeakPolarHBondContact O-CB 3.21Å; C529-A532 PolarHBondContact O-N 3.43Å; C529-G550 PolarHBondContact N-O 2.75Å; C529-C551 HydrophobicContact CB-CB 3.77Å; C529-C551 WeakPolarHBondContact CB-SG 3.3Å; C529-C551 VanDerWaalsContact SG-CA 3.52Å; C529-C551 WeakPolarHBondContact SG-CB 3.04Å; C529-C551 CovalentContact SG-SG 2.04Å; C529-C551 PolarHBondContact SG-SG 2.8Å
530	P	81.5	Confident	82.8	Confident	65 Å²	65	48 Å²	48	42%	0.422	25%	0.245	S	C	.	.	H	α-helix	trans	-55.2	-27.4	-175.4	-29.2	35.4	0	0	0	114.9	W514 K534	W514-P530 HydrophobicContact CE3-CG 3.93Å; W514-P530 HydrophobicContact CH2-CG 4.42Å; W514-P530 HydrophobicContact CZ3-CG 3.64Å; P530-K534 VanDerWaalsContact O-CB 3.27Å; P530-K534 WeakPolarHBondContact O-CB 3.48Å; P530-K534 PolarHBondContact O-N 2.85Å
531	Q	77.2	Confident	83.1	Confident	86 Å²	86	46 Å²	46	40%	0.402	23%	0.233	S	C	.	.	H	α-helix	trans	-65.9	-37.6	176.4	-60.9	90.6	-43.3	0	0	112.1	A438 C529 K534 K535	A438-Q531 HydrophobicContact CB-CB 3.27Å; A438-Q531 HydrophobicContact CB-CG 4.49Å; C529-Q531 PolarHBondContact O-N 2.87Å; Q531-K534 PolarHBondContact O-N 2.71Å; Q531-K535 PolarHBondContact O-N 2.76Å; Q531-K535 VanDerWaalsContact O-N 3.12Å
532	A	76.3	Confident	83.4	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.008	22%	0.221	C	C	.	.	H	α-helix	trans	-59.2	-52.9	176.4	0	0	0	0	0	111.1	A438 C529 K534 W536 G537 W538	A438-A532 WeakPolarHBondContact O-CA 3.37Å; A438-A532 WeakPolarHBondContact O-CB 3.34Å; C529-A532 WeakPolarHBondContact O-CB 3.21Å; C529-A532 PolarHBondContact O-N 3.43Å; A532-K534 VanDerWaalsContact C-N 3.34Å; A532-K534 PolarHBondContact O-N 3.08Å; A532-W536 PolarHBondContact O-N 3.48Å; A532-G537 PolarHBondContact O-N 3Å; A532-W538 HydrophobicContact CB-CB 4.2Å; A532-W538 WeakPolarHBondContact CB-O 3.42Å; A532-W538 PolarHBondContact O-N 3.18Å
533	M	74.7	Confident	83.7	Confident	87 Å²	87	42.7 Å²	42.7	43%	0.429	21%	0.214	S	C	.	.	H	α-helix	trans	-64	-39.2	-179.1	-63.1	-60.2	-81.9	0	0	111.5	G537 E539	M533-G537 WeakPolarHBondContact O-CA 3.24Å; M533-G537 PolarHBondContact O-N 2.99Å; M533-G537 VanDerWaalsContact O-N 3.16Å; M533-E539 HydrophobicContact CE-CB 4.17Å; M533-E539 HydrophobicContact CE-CG 4.21Å; M533-E539 HydrophobicContact SD-CB 3.75Å; M533-E539 HydrophobicContact SD-CG 4.07Å
534	K	74.6	Confident	83.8	Confident	192 Å²	192	42.7 Å²	42.7	84%	0.835	21%	0.214	S	C	*	.	H	α-helix	trans	-75.8	-37.4	-175.4	-170.4	-177.2	177.1	-169.3	0	114.5	P530 Q531 A532	P530-K534 VanDerWaalsContact O-CB 3.27Å; P530-K534 WeakPolarHBondContact O-CB 3.48Å; P530-K534 PolarHBondContact O-N 2.85Å; Q531-K534 PolarHBondContact O-N 2.71Å; A532-K534 VanDerWaalsContact C-N 3.34Å; A532-K534 PolarHBondContact O-N 3.08Å
535	K	69.1	Low	83.9	Confident	73 Å²	73	40.9 Å²	40.9	32%	0.317	20%	0.203	S	C	.	.	H	α-helix	trans	-90.6	-35.8	-176.6	-165.8	169	-179.8	167.1	0	113.2	E427 E436 Q531	E427-K535 IonicContact OE1-NZ 3.99Å; E427-K535 PolarHBondContact OE1-NZ 3Å; E427-K535 IonicContact OE2-NZ 2.64Å; E436-K535 WeakPolarHBondContact O-CD 3.33Å; E436-K535 IonicContact OE2-NZ 3.94Å; E436-K535 PolarHBondContact OE2-NZ 3.05Å; E436-K535 VanDerWaalsContact OE2-NZ 3.11Å; Q531-K535 PolarHBondContact O-N 2.76Å; Q531-K535 VanDerWaalsContact O-N 3.12Å
536	W	66.6	Low	83.9	Confident	68 Å²	68	40.8 Å²	40.8	26%	0.258	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.8	-9.3	-173.9	-66.3	103.4	0	0	0	115.1	L412 I413 V423 A532 W538	L412-W536 HydrophobicContact CD2-CZ3 3.95Å; I413-W536 HydrophobicContact CD1-CB 4.42Å; I413-W536 WeakPolarHBondContact CD1-O 3.12Å; V423-W536 HydrophobicContact CG1-CH2 4.41Å; A532-W536 PolarHBondContact O-N 3.48Å; W536-W538 VanDerWaalsContact C-N 3.29Å; W536-W538 HydrophobicContact CB-CB 4.32Å; W536-W538 HydrophobicContact CB-CE3 4.43Å
537	G	71.4	Confident	84	Confident	49 Å²	49	40.7 Å²	40.7	51%	0.505	20%	0.201	S	C	.	.			trans	68.9	30.3	-171.5	0	0	0	0	0	112.6	A532 M533 E539	A532-G537 PolarHBondContact O-N 3Å; M533-G537 WeakPolarHBondContact O-CA 3.24Å; M533-G537 PolarHBondContact O-N 2.99Å; M533-G537 VanDerWaalsContact O-N 3.16Å; G537-E539 PolarHBondContact O-N 3.06Å
538	W	76.2	Confident	84.1	Confident	3 Å²	3	36.5 Å²	36.5	1%	0.011	18%	0.182	C	C	.	.			trans	-85.8	109.9	-173.3	-160.5	-44.5	0	0	0	110	A405 I413 V416 G440 A532 W536	A405-W538 HydrophobicContact CB-CZ2 4.35Å; A405-W538 WeakPolarHBondContact O-CZ2 3.45Å; A405-W538 PolarHBondContact O-NE1 2.84Å; I413-W538 HydrophobicContact CG2-CD2 4.23Å; I413-W538 HydrophobicContact CG2-CE3 4.02Å; I413-W538 HydrophobicContact CG2-CH2 3.78Å; I413-W538 HydrophobicContact CG2-CZ2 3.97Å; I413-W538 HydrophobicContact CG2-CZ3 3.82Å; V416-W538 HydrophobicContact CG1-CH2 4.5Å; V416-W538 HydrophobicContact CG1-CZ3 4.49Å; G440-W538 VanDerWaalsContact N-CE2 3.26Å; A532-W538 HydrophobicContact CB-CB 4.2Å; A532-W538 WeakPolarHBondContact CB-O 3.42Å; A532-W538 PolarHBondContact O-N 3.18Å; W536-W538 VanDerWaalsContact C-N 3.29Å; W536-W538 HydrophobicContact CB-CB 4.32Å; W536-W538 HydrophobicContact CB-CE3 4.43Å
539	E	82.9	Confident	84.4	Confident	72 Å²	72	36.1 Å²	36.1	34%	0.336	18%	0.179	S	C	.	.			trans	-112.7	125.6	177.8	-161	-179.1	-169.7	0	0	111.2	M533 G537 R541	M533-E539 HydrophobicContact CE-CB 4.17Å; M533-E539 HydrophobicContact CE-CG 4.21Å; M533-E539 HydrophobicContact SD-CB 3.75Å; M533-E539 HydrophobicContact SD-CG 4.07Å; G537-E539 PolarHBondContact O-N 3.06Å; E539-R541 HydrophobicContact CG-CG 4.18Å; E539-R541 WeakPolarHBondContact OE1-CD 3.31Å; E539-R541 IonicContact OE1-CZ 2.63Å; E539-R541 IonicContact OE1-NE 2.76Å; E539-R541 IonicContact OE1-NH1 2.85Å; E539-R541 PolarHBondContact OE1-NH1 3.37Å; E539-R541 IonicContact OE2-CZ 2.77Å; E539-R541 IonicContact OE2-NH1 2.68Å; E539-R541 PolarHBondContact OE2-NH1 2.6Å
540	T	88.1	Confident	84.5	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.179	C	C	.	.			trans	-151.5	90.1	-173.5	46.2	0	0	0	0	108.8	G441 S528 G550	G441-T540 PolarHBondContact O-OG1 3.06Å; S528-T540 WeakPolarHBondContact OG-CA 3.46Å; S528-T540 PolarHBondContact OG-N 2.99Å; S528-T540 PolarHBondContact OG-O 2.76Å; S528-T540 PolarHBondContact OG-OG1 3.22Å; T540-G550 PolarHBondContact O-N 2.92Å
541	R	91.8	Very high	84.8	Confident	61 Å²	61	33 Å²	33	23%	0.23	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-86.8	147.1	-174.6	-59.2	168.3	-69.6	-116.9	-7.1	111.2	E403 G526 E539	E403-R541 WeakPolarHBondContact CB-O 3.47Å; E403-R541 HydrophobicContact CG-CB 4.41Å; E403-R541 WeakPolarHBondContact CG-O 3.37Å; E403-R541 PolarHBondContact N-O 2.81Å; E403-R541 IonicContact OE1-CZ 3.56Å; E403-R541 VanDerWaalsContact OE1-CZ 3.25Å; E403-R541 IonicContact OE1-NE 2.73Å; E403-R541 PolarHBondContact OE1-NE 3.18Å; E403-R541 IonicContact OE1-NH2 3.53Å; E403-R541 PolarHBondContact OE1-NH2 2.88Å; E403-R541 WeakPolarHBondContact OE2-CB 3.41Å; E403-R541 IonicContact OE2-CZ 2.71Å; E403-R541 PolarHBondContact OE2-N 3.25Å; E403-R541 IonicContact OE2-NE 2.72Å; E403-R541 PolarHBondContact OE2-NE 2.9Å; E403-R541 VanDerWaalsContact OE2-NE 3.1Å; E403-R541 IonicContact OE2-NH2 3.73Å; E403-R541 PolarHBondContact OE2-NH2 3Å; G526-R541 WeakPolarHBondContact O-CA 3.34Å; E539-R541 HydrophobicContact CG-CG 4.18Å; E539-R541 WeakPolarHBondContact OE1-CD 3.31Å; E539-R541 IonicContact OE1-CZ 2.63Å; E539-R541 IonicContact OE1-NE 2.76Å; E539-R541 IonicContact OE1-NH1 2.85Å; E539-R541 PolarHBondContact OE1-NH1 3.37Å; E539-R541 IonicContact OE2-CZ 2.77Å; E539-R541 IonicContact OE2-NH1 2.68Å; E539-R541 PolarHBondContact OE2-NH1 2.6Å
542	G	94.1	Very high	85.1	Confident	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-66.2	155.8	165.5	0	0	0	0	0	110.8	G444 G525 G526 G547 G548	G444-G542 WeakPolarHBondContact O-CA 3.22Å; G525-G542 WeakPolarHBondContact CA-O 3.48Å; G526-G542 PolarHBondContact O-N 3.4Å; G542-G547 WeakPolarHBondContact CA-O 3.31Å; G542-G548 WeakPolarHBondContact CA-O 3.22Å
543	G	94.9	Very high	85.5	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-74.2	150.3	179.4	0	0	0	0	0	112.9	Q400 G444 G525 G547	Q400-G543 WeakPolarHBondContact O-CA 3.39Å; Q400-G543 VanDerWaalsContact OE1-CA 3.24Å; G444-G543 PolarHBondContact O-N 2.93Å; G525-G543 WeakPolarHBondContact CA-O 3.44Å; G543-G547 WeakPolarHBondContact O-CA 3.36Å; G543-G547 PolarHBondContact O-N 2.85Å
544	F	94.8	Very high	86.3	Confident	2 Å²	2	24.8 Å²	24.8	1%	0.009	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	147.6	169.9	77.5	-103.5	0	0	0	111.2	T310 A313 G315 H317 L397 V398 G399 Q400 G446	T310-F544 HydrophobicContact CG2-CE1 4.36Å; T310-F544 HydrophobicContact CG2-CE2 4.4Å; T310-F544 HydrophobicContact CG2-CZ 3.74Å; A313-F544 HydrophobicContact CB-CE1 3.71Å; A313-F544 HydrophobicContact CB-CZ 4.02Å; G315-F544 WeakPolarHBondContact O-CD1 3.47Å; H317-F544 WeakPolarHBondContact O-CD1 3.23Å; L397-F544 HydrophobicContact CD1-CD2 4Å; L397-F544 HydrophobicContact CD1-CE2 4.03Å; V398-F544 WeakPolarHBondContact O-CE2 3.4Å; G399-F544 WeakPolarHBondContact CA-O 3.36Å; Q400-F544 HydrophobicContact CB-CD1 3.38Å; Q400-F544 HydrophobicContact CB-CD2 4.36Å; Q400-F544 HydrophobicContact CB-CE1 3.47Å; Q400-F544 VanDerWaalsContact CB-CE1 3.47Å; Q400-F544 HydrophobicContact CB-CE2 4.43Å; Q400-F544 HydrophobicContact CB-CG 3.86Å; Q400-F544 HydrophobicContact CB-CZ 4.02Å; Q400-F544 HydrophobicContact CG-CD1 3.87Å; Q400-F544 HydrophobicContact CG-CE1 3.85Å; Q400-F544 PolarHBondContact N-O 2.93Å; Q400-F544 VanDerWaalsContact OE1-N 3.13Å; G446-F544 WeakPolarHBondContact CA-O 3.36Å
545	G	94.4	Very high	87.2	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.9	12.5	-155.1	0	0	0	0	0	113.2	A447 Y449 A523	A447-G545 PolarHBondContact N-O 2.95Å; A447-G545 WeakPolarHBondContact O-CA 3.45Å; Y449-G545 WeakPolarHBondContact CE2-O 3.34Å; Y449-G545 PolarHBondContact OH-O 2.89Å; A523-G545 CarbonylContact O-C 3.3Å; A523-G545 PolarHBondContact O-N 3.03Å
546	G	94.5	Very high	88.4	Confident	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	27.3	177.1	0	0	0	0	0	115.3	G503 G504 K517 A523 G558	G503-G546 CarbonylContact C-O 3.59Å; G503-G546 WeakPolarHBondContact CA-O 3.45Å; G504-G546 PolarHBondContact N-O 3.38Å; K517-G546 WeakPolarHBondContact O-CA 3.37Å; A523-G546 PolarHBondContact O-N 2.86Å; G546-G558 WeakPolarHBondContact O-CA 3.45Å
547	G	96.1	Very high	89.8	Confident	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.052	C	C	.	.	P	Polyproline II helix	trans	-64.7	138.3	169.3	0	0	0	0	0	111.4	G444 G445 G516 G525 G526 G542 G543	G444-G547 WeakPolarHBondContact O-CA 3.48Å; G445-G547 WeakPolarHBondContact O-CA 3.21Å; G516-G547 WeakPolarHBondContact CA-O 3.29Å; G525-G547 CarbonylContact C-O 3.44Å; G525-G547 WeakPolarHBondContact CA-O 3.39Å; G526-G547 PolarHBondContact N-O 2.85Å; G542-G547 WeakPolarHBondContact CA-O 3.31Å; G543-G547 WeakPolarHBondContact O-CA 3.36Å; G543-G547 PolarHBondContact O-N 2.85Å
548	G	94.9	Very high	90.9	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.028	C	C	.	.	P	Polyproline II helix	trans	-75.5	149.6	176.4	0	0	0	0	0	113.1	G444 G502 G542 G556	G444-G548 PolarHBondContact N-O 3.36Å; G502-G548 WeakPolarHBondContact O-CA 3.21Å; G542-G548 WeakPolarHBondContact CA-O 3.22Å; G548-G556 PolarHBondContact N-O 3.46Å
549	G	92.5	Very high	91.9	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.027	C	C	.	.	P	Polyproline II helix	trans	-77.5	145.6	178.4	0	0	0	0	0	113.9	G501 W514 G526 H527	G501-G549 PolarHBondContact N-O 2.83Å; W514-G549 PolarHBondContact O-N 2.95Å; G526-G549 WeakPolarHBondContact O-CA 3.43Å; H527-G549 WeakPolarHBondContact O-CA 3.45Å
550	G	88.8	Confident	92.4	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	1%	0.012	C	C	.	.	P	Polyproline II helix	trans	-75.5	156.6	-178.4	0	0	0	0	0	114	S528 C529 T540	S528-G550 WeakPolarHBondContact CA-O 3.13Å; C529-G550 PolarHBondContact N-O 2.75Å; T540-G550 PolarHBondContact O-N 2.92Å
551	C	86.6	Confident	92.7	Very high	0 Å²	0	5 Å²	5	0%	0	2%	0.021	C	C	.	.	S	Bend	trans	-133.6	-117	170.5	-158.4	0	0	0	0	108.9	A438 G439 G440 G441 A500 C529 S553 N569	A438-C551 CarbonylContact O-C 3.19Å; A438-C551 WeakPolarHBondContact O-CA 3.49Å; A438-C551 PolarHBondContact O-SG 2.97Å; G439-C551 CarbonylContact C-O 3.57Å; G439-C551 WeakPolarHBondContact CA-O 3.39Å; G440-C551 PolarHBondContact N-O 2.72Å; G440-C551 VanDerWaalsContact N-O 3.16Å; G441-C551 PolarHBondContact N-O 2.7Å; A500-C551 HydrophobicContact CB-CB 3.72Å; C529-C551 HydrophobicContact CB-CB 3.77Å; C529-C551 WeakPolarHBondContact CB-SG 3.3Å; C529-C551 VanDerWaalsContact SG-CA 3.52Å; C529-C551 WeakPolarHBondContact SG-CB 3.04Å; C529-C551 CovalentContact SG-SG 2.04Å; C529-C551 PolarHBondContact SG-SG 2.8Å; C551-S553 CarbonylContact C-O 3.53Å; C551-S553 PolarHBondContact N-O 3.21Å; C551-N569 WeakPolarHBondContact CB-OD1 3.42Å
552	S	84.3	Confident	92.8	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	1%	0.012	C	C	.	.	S	Bend	trans	-98.6	-37.2	160.3	-59.8	0	0	0	0	111.9	W437 A438 G439 A471 Y472 N569	W437-S552 WeakPolarHBondContact CZ2-OG 3.44Å; A438-S552 VanDerWaalsContact C-OG 3.27Å; A438-S552 WeakPolarHBondContact CA-OG 3.41Å; A438-S552 PolarHBondContact N-OG 3.42Å; G439-S552 PolarHBondContact N-OG 2.03Å; G439-S552 VanDerWaalsContact N-OG 3.09Å; G439-S552 WeakPolarHBondContact O-CA 3.23Å; G439-S552 WeakPolarHBondContact O-CB 3.38Å; G439-S552 PolarHBondContact O-OG 2.75Å; A471-S552 WeakPolarHBondContact CA-O 3.41Å; A471-S552 WeakPolarHBondContact CB-O 3.5Å; Y472-S552 PolarHBondContact N-O 2.74Å; S552-N569 VanDerWaalsContact CB-ND2 3.33Å; S552-N569 WeakPolarHBondContact CB-ND2 3.12Å; S552-N569 PolarHBondContact N-OD1 3.05Å; S552-N569 PolarHBondContact OG-ND2 2.81Å
553	S	84.9	Confident	92.8	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	1%	0.013	C	C	.	.	S	Bend	trans	-64.7	152.4	151.5	50.9	0	0	0	0	110.6	A500 C551 N569 D570	A500-S553 WeakPolarHBondContact CB-OG 3.46Å; C551-S553 CarbonylContact C-O 3.53Å; C551-S553 PolarHBondContact N-O 3.21Å; S553-N569 PolarHBondContact N-OD1 2.94Å; S553-N569 PolarHBondContact OG-OD1 2.88Å; S553-D570 WeakPolarHBondContact CB-O 3.37Å
554	G	90.4	Very high	92.7	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.023	C	C	.	.	P	Polyproline II helix	trans	-78.7	160.1	176.8	0	0	0	0	0	113.3	G442 G469 A500	G442-G554 WeakPolarHBondContact O-CA 3.34Å; G469-G554 WeakPolarHBondContact O-CA 2.91Å; A500-G554 WeakPolarHBondContact CB-O 3.3Å
555	G	93.4	Very high	92.4	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.028	C	C	.	.	P	Polyproline II helix	trans	-78.8	141.8	174.7	0	0	0	0	0	112.7	G442 G444 G469 G501	G442-G555 PolarHBondContact O-N 2.78Å; G444-G555 WeakPolarHBondContact CA-O 3.38Å; G444-G555 PolarHBondContact N-O 2.88Å; G469-G555 PolarHBondContact N-O 3.43Å; G501-G555 CarbonylContact O-C 3.53Å; G501-G555 WeakPolarHBondContact O-CA 3.12Å
556	G	94.6	Very high	92	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.034	C	C	.	.	P	Polyproline II helix	trans	-69.1	147.2	177.6	0	0	0	0	0	113	G501 G503 G548 E576	G501-G556 PolarHBondContact O-N 2.94Å; G503-G556 WeakPolarHBondContact CA-O 3.36Å; G548-G556 PolarHBondContact N-O 3.46Å; G556-E576 CarbonylContact C-O 3.55Å; G556-E576 WeakPolarHBondContact CA-O 3.41Å
557	G	95.7	Very high	91.3	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.071	C	C	.	.	P	Polyproline II helix	trans	-73.4	144.2	178.8	0	0	0	0	0	113.2	G466 G503 G563 E576	G466-G557 WeakPolarHBondContact O-CA 3.43Å; G503-G557 WeakPolarHBondContact CA-O 3.09Å; G557-G563 PolarHBondContact O-N 2.92Å; G557-E576 PolarHBondContact N-O 3.06Å
558	G	96	Very high	90.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.092	C	C	.	.	P	Polyproline II helix	trans	-68.2	156.4	174.1	0	0	0	0	0	112.3	G445 A447 G466 G546	G445-G558 PolarHBondContact O-N 2.86Å; A447-G558 VanDerWaalsContact CB-C 3.41Å; A447-G558 WeakPolarHBondContact CB-O 3.33Å; G466-G558 PolarHBondContact N-O 3.38Å; G546-G558 WeakPolarHBondContact O-CA 3.45Å
559	G	95.5	Very high	89.7	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	-169.4	-167.7	179.9	0	0	0	0	0	114.2	Y449 G504 G505	Y449-G559 PolarHBondContact OH-O 2.75Å; G504-G559 PolarHBondContact O-N 2.85Å; G505-G559 CarbonylContact C-O 3.43Å; G505-G559 WeakPolarHBondContact CA-O 3.27Å
560	Y	94.9	Very high	89.1	Confident	6 Å²	6	17.6 Å²	17.6	2%	0.024	11%	0.107	C	C	.	.	S	Bend	trans	-66.1	-48.3	160.7	-177.5	-115.8	0	0	0	109.7	P460 I463 E485 V490 G492 G505 W506 V579 F581	P460-Y560 HydrophobicContact CG-CE2 4.47Å; I463-Y560 HydrophobicContact CD1-CD2 3.54Å; I463-Y560 HydrophobicContact CD1-CE2 4.47Å; I463-Y560 HydrophobicContact CD1-CG 4.24Å; E485-Y560 HydrophobicContact CB-CD1 4.09Å; E485-Y560 HydrophobicContact CB-CE1 4.47Å; E485-Y560 HydrophobicContact CG-CD1 3.96Å; E485-Y560 HydrophobicContact CG-CE1 3.84Å; V490-Y560 PolarHBondContact O-OH 3.06Å; G492-Y560 CarbonylContact C-O 3.57Å; G492-Y560 WeakPolarHBondContact CA-O 3.38Å; G505-Y560 CarbonylContact C-O 3.59Å; G505-Y560 WeakPolarHBondContact CA-O 3.3Å; W506-Y560 HydrophobicContact CB-CD2 3.48Å; W506-Y560 VanDerWaalsContact CB-CD2 3.48Å; W506-Y560 HydrophobicContact CB-CE2 3.73Å; W506-Y560 HydrophobicContact CB-CG 4.42Å; W506-Y560 AromaticContact CD1-CE2 3.66Å; W506-Y560 HydrophobicContact CD2-CD2 4.42Å; W506-Y560 HydrophobicContact CD2-CE2 4.38Å; W506-Y560 AromaticContact CG-CD2 3.79Å; W506-Y560 HydrophobicContact CG-CD2 3.79Å; W506-Y560 AromaticContact CG-CE2 3.65Å; W506-Y560 HydrophobicContact CG-CE2 3.65Å; W506-Y560 PolarHBondContact N-O 2.86Å; Y560-V579 PolarHBondContact N-O 3.45Å; Y560-F581 HydrophobicContact CD1-CB 4.07Å; Y560-F581 AromaticContact CD1-CD2 3.75Å; Y560-F581 HydrophobicContact CD1-CD2 3.75Å; Y560-F581 HydrophobicContact CD1-CG 4.22Å; Y560-F581 HydrophobicContact CD2-CB 3.98Å; Y560-F581 HydrophobicContact CD2-CD2 4.08Å; Y560-F581 AromaticContact CD2-CG 3.97Å; Y560-F581 HydrophobicContact CD2-CG 3.97Å; Y560-F581 AromaticContact CE1-CD2 3.68Å; Y560-F581 HydrophobicContact CE1-CD2 3.68Å; Y560-F581 HydrophobicContact CE1-CE2 4.13Å; Y560-F581 HydrophobicContact CE1-CG 4.48Å; Y560-F581 HydrophobicContact CE2-CD2 4.01Å; Y560-F581 HydrophobicContact CE2-CE2 4.3Å; Y560-F581 HydrophobicContact CE2-CG 4.24Å; Y560-F581 HydrophobicContact CG-CB 3.6Å; Y560-F581 AromaticContact CG-CD2 3.95Å; Y560-F581 HydrophobicContact CG-CD2 3.95Å; Y560-F581 AromaticContact CG-CG 3.95Å; Y560-F581 HydrophobicContact CG-CG 3.95Å; Y560-F581 AromaticContact CZ-CD2 3.79Å; Y560-F581 AromaticContact CZ-CE2 3.93Å
561	I	94.7	Very high	88.7	Confident	36 Å²	36	18.3 Å²	18.3	19%	0.185	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-107	130.5	159.8	-50.9	169.8	0	0	0	106.7	V490 L493 V579	V490-I561 HydrophobicContact CG1-CD1 4.25Å; L493-I561 CarbonylContact O-C 3.54Å; L493-I561 VanDerWaalsContact O-CA 3.27Å; L493-I561 WeakPolarHBondContact O-CA 3.49Å; I561-V579 HydrophobicContact CB-CB 3.9Å; I561-V579 HydrophobicContact CB-CG2 3.9Å; I561-V579 HydrophobicContact CD1-CG2 4.46Å; I561-V579 HydrophobicContact CG1-CB 4.42Å; I561-V579 PolarHBondContact O-N 2.84Å
562	G	93.7	Very high	88.4	Confident	3 Å²	3	22.4 Å²	22.4	3%	0.031	13%	0.131	C	C	.	.	P	Polyproline II helix	trans	-72.8	148.1	178.6	0	0	0	0	0	113.1	L493 G495	L493-G562 PolarHBondContact O-N 2.8Å; G495-G562 WeakPolarHBondContact CA-O 3.39Å
563	G	93.6	Very high	88.5	Confident	2 Å²	2	27.7 Å²	27.7	2%	0.021	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-68.6	143.5	175.1	0	0	0	0	0	112.4	G502 G503 G557 D577	G502-G563 CarbonylContact C-O 3.46Å; G502-G563 WeakPolarHBondContact CA-O 3.38Å; G503-G563 PolarHBondContact N-O 3.33Å; G557-G563 PolarHBondContact O-N 2.92Å; G563-D577 VanDerWaalsContact CA-O 3.26Å; G563-D577 WeakPolarHBondContact CA-O 3.17Å
564	N	92.8	Very high	88.7	Confident	42 Å²	42	29.3 Å²	29.3	23%	0.225	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-75.5	160.9	179.1	-56.7	-70.8	0	0	0	112.3	N496 E576	N496-N564 HydrophobicContact CB-CB 4.31Å; N496-N564 WeakPolarHBondContact CB-OD1 3.28Å; N496-N564 PolarHBondContact N-OD1 2.97Å; N496-N564 PolarHBondContact ND2-OD1 3.12Å; N564-E576 HydrophobicContact CB-CG 4.36Å; N564-E576 WeakPolarHBondContact CB-OE2 3.34Å; N564-E576 PolarHBondContact ND2-OE2 3.44Å; N564-E576 PolarHBondContact O-N 2.95Å
565	A	88.3	Confident	88.6	Confident	12 Å²	12	29.6 Å²	29.6	10%	0.099	17%	0.169	C	C	.	.			trans	-130.6	153.6	173.5	0	0	0	0	0	111.8	N496 A500 G501 S567	N496-A565 PolarHBondContact O-N 3.09Å; A500-A565 HydrophobicContact CB-CB 4.05Å; A500-A565 WeakPolarHBondContact O-CB 3.48Å; G501-A565 WeakPolarHBondContact O-CB 3.49Å; A565-S567 PolarHBondContact O-N 3.1Å
566	A	85.2	Confident	88.6	Confident	17 Å²	17	33.8 Å²	33.8	14%	0.14	19%	0.188	C	C	.	.			trans	-63.2	124.4	-170.8	0	0	0	0	0	113.2	A499 N568 M573	A499-A566 PolarHBondContact N-O 3.38Å; A499-A566 VanDerWaalsContact N-O 3.13Å; A566-N568 VanDerWaalsContact C-N 3.3Å; A566-N568 PolarHBondContact O-N 2.86Å; A566-M573 HydrophobicContact CB-CB 4.28Å
567	S	80.3	Confident	88.5	Confident	109 Å²	109	35.1 Å²	35.1	76%	0.762	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-24.1	-176.7	58.6	0	0	0	0	114.2	A565	A565-S567 PolarHBondContact O-N 3.1Å
568	N	79.2	Confident	88.4	Confident	83 Å²	83	35.4 Å²	35.4	44%	0.444	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	1.7	-176.7	65.3	-25.3	0	0	0	114.4	A566 D570	A566-N568 VanDerWaalsContact C-N 3.3Å; A566-N568 PolarHBondContact O-N 2.86Å; N568-D570 PolarHBondContact ND2-OD2 2.85Å; N568-D570 WeakPolarHBondContact OD1-CB 3.43Å; N568-D570 PolarHBondContact OD1-N 3.08Å
569	N	77.6	Confident	88.3	Confident	10 Å²	10	35.6 Å²	35.6	5%	0.053	20%	0.2	C	C	.	.			trans	56.2	38.9	-166.9	-156.9	31.6	0	0	0	115.2	W437 A499 C551 S552 S553 P571	W437-N569 PolarHBondContact O-ND2 2.98Å; A499-N569 HydrophobicContact CB-CB 3.38Å; C551-N569 WeakPolarHBondContact CB-OD1 3.42Å; S552-N569 VanDerWaalsContact CB-ND2 3.33Å; S552-N569 WeakPolarHBondContact CB-ND2 3.12Å; S552-N569 PolarHBondContact N-OD1 3.05Å; S552-N569 PolarHBondContact OG-ND2 2.81Å; S553-N569 PolarHBondContact N-OD1 2.94Å; S553-N569 PolarHBondContact OG-OD1 2.88Å; N569-P571 WeakPolarHBondContact O-CD 3.26Å
570	D	81.5	Confident	88.3	Confident	49 Å²	49	35.7 Å²	35.7	26%	0.262	20%	0.2	S	C	.	.			trans	-59.8	121.2	178.9	-153.1	-58.5	0	0	0	111.2	S553 N568 E572 M573	S553-D570 WeakPolarHBondContact CB-O 3.37Å; N568-D570 PolarHBondContact ND2-OD2 2.85Å; N568-D570 WeakPolarHBondContact OD1-CB 3.43Å; N568-D570 PolarHBondContact OD1-N 3.08Å; D570-E572 PolarHBondContact O-N 3Å; D570-E572 PolarHBondContact OD1-N 2.97Å; D570-M573 HydrophobicContact CB-CB 3.95Å; D570-M573 HydrophobicContact CB-CG 3.66Å; D570-M573 PolarHBondContact O-N 2.89Å
571	P	79.7	Confident	88.2	Confident	16 Å²	16	35.4 Å²	35.4	10%	0.104	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-9.5	-179.9	33.1	-38.7	0	0	0	113.1	V434 W437 A471 G473 N569	V434-P571 HydrophobicContact CG2-CG 4.37Å; W437-P571 HydrophobicContact CH2-CB 3.53Å; W437-P571 HydrophobicContact CH2-CG 4.35Å; W437-P571 HydrophobicContact CZ3-CB 3.47Å; W437-P571 VanDerWaalsContact CZ3-CB 3.47Å; W437-P571 HydrophobicContact CZ3-CG 3.82Å; A471-P571 VanDerWaalsContact CB-O 3.23Å; A471-P571 WeakPolarHBondContact CB-O 3.41Å; G473-P571 CarbonylContact C-O 3.58Å; G473-P571 VanDerWaalsContact CA-O 3.24Å; G473-P571 WeakPolarHBondContact CA-O 3.32Å; G473-P571 PolarHBondContact N-O 3.16Å; N569-P571 WeakPolarHBondContact O-CD 3.26Å
572	E	81	Confident	88.1	Confident	86 Å²	86	34 Å²	34	40%	0.402	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-2.8	179.7	-48.3	-169.7	-178.8	0	0	112.3	K475 D570	K475-E572 WeakPolarHBondContact CD-OE2 3.37Å; K475-E572 VanDerWaalsContact CE-CD 3.42Å; K475-E572 VanDerWaalsContact CE-OE1 3.29Å; K475-E572 WeakPolarHBondContact CE-OE1 3.3Å; K475-E572 WeakPolarHBondContact CE-OE2 3.24Å; K475-E572 IonicContact NZ-OE1 2.72Å; K475-E572 PolarHBondContact NZ-OE1 3.21Å; K475-E572 IonicContact NZ-OE2 3.11Å; K475-E572 PolarHBondContact NZ-OE2 2.93Å; D570-E572 PolarHBondContact O-N 3Å; D570-E572 PolarHBondContact OD1-N 2.97Å
573	M	84.9	Confident	87.8	Confident	111 Å²	111	34.1 Å²	34.1	55%	0.547	19%	0.192	S	C	.	.			trans	-109.6	117	178.7	-61	-66.9	-61.4	0	0	111.6	A471 A566 D570	A471-M573 WeakPolarHBondContact CB-O 3.27Å; A566-M573 HydrophobicContact CB-CB 4.28Å; D570-M573 HydrophobicContact CB-CB 3.95Å; D570-M573 HydrophobicContact CB-CG 3.66Å; D570-M573 PolarHBondContact O-N 2.89Å
574	D	89	Confident	87.3	Confident	33 Å²	33	38.3 Å²	38.3	18%	0.176	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-66.5	165.9	172.8	-68.2	-22.5	0	0	0	112.4	R470 A471 A474	R470-D574 VanDerWaalsContact CA-OD1 3.26Å; R470-D574 WeakPolarHBondContact CA-OD1 3.42Å; R470-D574 WeakPolarHBondContact CD-OD2 3.45Å; R470-D574 IonicContact CZ-OD2 2.68Å; R470-D574 IonicContact NE-OD2 3.33Å; R470-D574 IonicContact NH1-OD2 2.71Å; R470-D574 PolarHBondContact NH1-OD2 3.12Å; A471-D574 PolarHBondContact N-OD1 3.28Å; A474-D574 WeakPolarHBondContact CB-OD1 3.45Å
575	G	89.8	Confident	86.7	Confident	7 Å²	7	41.4 Å²	41.4	7%	0.072	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-73.5	145.9	163.9	0	0	0	0	0	110.5	G468 G469	G468-G575 WeakPolarHBondContact CA-O 3.04Å; G469-G575 PolarHBondContact O-N 2.9Å
576	E	92.6	Very high	86	Confident	87 Å²	87	41.7 Å²	41.7	41%	0.407	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-74.6	154.6	173.8	-63.5	178	-176.9	0	0	111.3	G556 G557 N564	G556-E576 CarbonylContact C-O 3.55Å; G556-E576 WeakPolarHBondContact CA-O 3.41Å; G557-E576 PolarHBondContact N-O 3.06Å; N564-E576 HydrophobicContact CB-CG 4.36Å; N564-E576 WeakPolarHBondContact CB-OE2 3.34Å; N564-E576 PolarHBondContact ND2-OE2 3.44Å; N564-E576 PolarHBondContact O-N 2.95Å
577	D	93.1	Very high	85.4	Confident	29 Å²	29	46.5 Å²	46.5	16%	0.155	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-72.7	159.4	171.2	-43.1	-68.5	0	0	0	111.5	S377 G467 G468 G563 K594	S377-D577 WeakPolarHBondContact CB-OD1 3.25Å; S377-D577 PolarHBondContact OG-OD1 2.87Å; G467-D577 VanDerWaalsContact CA-OD1 3.29Å; G467-D577 WeakPolarHBondContact CA-OD1 3.46Å; G468-D577 PolarHBondContact N-OD1 2.84Å; G563-D577 VanDerWaalsContact CA-O 3.26Å; G563-D577 WeakPolarHBondContact CA-O 3.17Å; D577-K594 VanDerWaalsContact CG-CE 3.41Å; D577-K594 IonicContact OD1-NZ 2.63Å; D577-K594 WeakPolarHBondContact OD2-CE 3.28Å; D577-K594 IonicContact OD2-NZ 3.99Å; D577-K594 PolarHBondContact OD2-NZ 3.19Å
578	G	92.2	Very high	85	Confident	5 Å²	5	44.9 Å²	44.9	5%	0.052	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-71.7	165.3	173.3	0	0	0	0	0	113.6	A465 G466	A465-G578 WeakPolarHBondContact CB-O 3.43Å; G466-G578 PolarHBondContact O-N 2.86Å
579	V	94.3	Very high	83.7	Confident	5 Å²	5	47.7 Å²	47.7	3%	0.03	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-91.3	127.3	168.8	-178.3	0	0	0	0	108.9	R483 E485 Y560 I561	R483-V579 HydrophobicContact CB-CB 4.36Å; R483-V579 HydrophobicContact CB-CG1 3.95Å; R483-V579 HydrophobicContact CB-CG2 4.01Å; E485-V579 HydrophobicContact CB-CG1 4.2Å; Y560-V579 PolarHBondContact N-O 3.45Å; I561-V579 HydrophobicContact CB-CB 3.9Å; I561-V579 HydrophobicContact CB-CG2 3.9Å; I561-V579 HydrophobicContact CD1-CG2 4.46Å; I561-V579 HydrophobicContact CG1-CB 4.42Å; I561-V579 PolarHBondContact O-N 2.84Å
580	S	95.1	Very high	82.5	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.007	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	162.6	175.3	-65.1	0	0	0	0	111.3	V380 I463 A465 R483 L484 E485	V380-S580 WeakPolarHBondContact CG1-OG 3.39Å; I463-S580 CarbonylContact O-C 3.47Å; I463-S580 VanDerWaalsContact O-CA 3.3Å; I463-S580 WeakPolarHBondContact O-CA 3.2Å; I463-S580 WeakPolarHBondContact O-CB 3.37Å; A465-S580 VanDerWaalsContact CB-OG 3.3Å; A465-S580 WeakPolarHBondContact CB-OG 3.44Å; A465-S580 PolarHBondContact N-OG 3.19Å; R483-S580 PolarHBondContact O-N 2.88Å; L484-S580 WeakPolarHBondContact CA-O 3.45Å; E485-S580 PolarHBondContact N-O 3.13Å
581	F	94.1	Very high	81.6	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	142.9	175.9	174.5	-86.1	0	0	0	112.4	P460 I462 I463 E485 Y560	P460-F581 HydrophobicContact CB-CD1 3.91Å; P460-F581 HydrophobicContact CB-CE1 3.74Å; P460-F581 HydrophobicContact CG-CD1 4.05Å; P460-F581 HydrophobicContact CG-CE1 3.48Å; P460-F581 VanDerWaalsContact CG-CE1 3.48Å; P460-F581 HydrophobicContact CG-CZ 3.99Å; I462-F581 WeakPolarHBondContact CA-O 3.37Å; I463-F581 HydrophobicContact CB-CB 4.21Å; I463-F581 HydrophobicContact CD1-CB 4.28Å; I463-F581 HydrophobicContact CD1-CD1 4.48Å; I463-F581 PolarHBondContact N-O 2.82Å; I463-F581 PolarHBondContact O-N 2.72Å; E485-F581 HydrophobicContact CB-CD2 4.05Å; E485-F581 HydrophobicContact CG-CD2 3.97Å; E485-F581 HydrophobicContact CG-CE2 4.47Å; E485-F581 VanDerWaalsContact O-CA 3.27Å; E485-F581 WeakPolarHBondContact O-CA 3.32Å; Y560-F581 HydrophobicContact CD1-CB 4.07Å; Y560-F581 AromaticContact CD1-CD2 3.75Å; Y560-F581 HydrophobicContact CD1-CD2 3.75Å; Y560-F581 HydrophobicContact CD1-CG 4.22Å; Y560-F581 HydrophobicContact CD2-CB 3.98Å; Y560-F581 HydrophobicContact CD2-CD2 4.08Å; Y560-F581 AromaticContact CD2-CG 3.97Å; Y560-F581 HydrophobicContact CD2-CG 3.97Å; Y560-F581 AromaticContact CE1-CD2 3.68Å; Y560-F581 HydrophobicContact CE1-CD2 3.68Å; Y560-F581 HydrophobicContact CE1-CE2 4.13Å; Y560-F581 HydrophobicContact CE1-CG 4.48Å; Y560-F581 HydrophobicContact CE2-CD2 4.01Å; Y560-F581 HydrophobicContact CE2-CE2 4.3Å; Y560-F581 HydrophobicContact CE2-CG 4.24Å; Y560-F581 HydrophobicContact CG-CB 3.6Å; Y560-F581 AromaticContact CG-CD2 3.95Å; Y560-F581 HydrophobicContact CG-CD2 3.95Å; Y560-F581 AromaticContact CG-CG 3.95Å; Y560-F581 HydrophobicContact CG-CG 3.95Å; Y560-F581 AromaticContact CZ-CD2 3.79Å; Y560-F581 AromaticContact CZ-CE2 3.93Å
582	I	91.7	Very high	81.3	Confident	8 Å²	8	51.2 Å²	51.2	4%	0.041	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	136.3	165.1	-169.5	168	0	0	0	110.6	V382 F386 I462 L484 E485 N486 L588	V382-I582 HydrophobicContact CG1-CB 4.38Å; F386-I582 HydrophobicContact CZ-CG1 4.26Å; I462-I582 HydrophobicContact CG1-CG1 4.24Å; L484-I582 HydrophobicContact CD1-CB 4.43Å; L484-I582 HydrophobicContact CD1-CG2 4.22Å; L484-I582 HydrophobicContact CD2-CG2 4.24Å; L484-I582 HydrophobicContact CG-CG2 4.4Å; E485-I582 PolarHBondContact O-N 3.33Å; N486-I582 WeakPolarHBondContact CA-O 2.99Å; N486-I582 HydrophobicContact CB-CG2 4.25Å; I582-L588 HydrophobicContact CD1-CB 3.96Å; I582-L588 HydrophobicContact CD1-CD1 3.67Å; I582-L588 HydrophobicContact CD1-CG 4.45Å; I582-L588 HydrophobicContact CG2-CD1 4.28Å
583	S	88.6	Confident	81.2	Confident	5 Å²	5	51.4 Å²	51.4	4%	0.035	28%	0.278	C	S	.	.			trans	-76	139.2	-178.5	-160.9	0	0	0	0	111.5	P460 L461 L585 G586	P460-S583 WeakPolarHBondContact O-CB 3.27Å; P460-S583 PolarHBondContact O-OG 2.77Å; L461-S583 VanDerWaalsContact O-CB 3.3Å; L461-S583 WeakPolarHBondContact O-CB 3.31Å; L461-S583 PolarHBondContact O-N 3.19Å; S583-L585 PolarHBondContact O-N 3.3Å; S583-G586 PolarHBondContact O-N 3.35Å
584	P	82.3	Confident	81	Confident	90 Å²	90	48.6 Å²	48.6	58%	0.584	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	3.6	173.6	30.5	-36.2	0	0	0	113.4	G586	P584-G586 VanDerWaalsContact C-N 3.3Å
585	L	80.5	Confident	80.5	Confident	106 Å²	106	50.6 Å²	50.6	56%	0.555	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-5.9	167.8	-60.4	178.7	0	0	0	113.4	L461 S583	L461-L585 HydrophobicContact CD2-CD1 4.39Å; S583-L585 PolarHBondContact O-N 3.3Å
586	G	73.8	Confident	80.2	Confident	18 Å²	18	51.8 Å²	51.8	19%	0.186	28%	0.281	C	S	.	.	S	Bend	trans	-135.7	168.7	175.9	0	0	0	0	0	112.4	I385 S583 P584	I385-G586 CarbonylContact O-C 3.57Å; I385-G586 WeakPolarHBondContact O-CA 3.3Å; S583-G586 PolarHBondContact O-N 3.35Å; P584-G586 VanDerWaalsContact C-N 3.3Å
587	I	72.9	Confident	79.9	Confident	118 Å²	118	53.7 Å²	53.7	61%	0.605	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	127.6	-179.3	-57.4	173.8	0	0	0	108.6	G384 I385	G384-I587 CarbonylContact C-O 3.56Å; G384-I587 WeakPolarHBondContact CA-O 3.38Å; I385-I587 PolarHBondContact N-O 2.76Å; I385-I587 PolarHBondContact O-N 2.8Å
588	L	71.8	Confident	79.6	Confident	75 Å²	75	53.4 Å²	53.4	39%	0.393	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	126.1	173	-175.1	68.3	0	0	0	109.8	V382 L484 I582 T590	V382-L588 HydrophobicContact CG1-CD1 4.36Å; L484-L588 HydrophobicContact CD2-CD1 3.89Å; L484-L588 HydrophobicContact CD2-CD2 3.66Å; L484-L588 HydrophobicContact CD2-CG 4.45Å; I582-L588 HydrophobicContact CD1-CB 3.96Å; I582-L588 HydrophobicContact CD1-CD1 3.67Å; I582-L588 HydrophobicContact CD1-CG 4.45Å; I582-L588 HydrophobicContact CG2-CD1 4.28Å; L588-T590 WeakPolarHBondContact CD1-O 3.27Å; L588-T590 WeakPolarHBondContact CG-O 3.46Å
589	Y	50.8	Low	79.7	Confident	142 Å²	142	56.5 Å²	56.5	56%	0.557	31%	0.306	S	S	*	.			trans	-100.6	-32.6	-176.1	-171.9	-105.3	0	0	0	113.1	L383 I385	L383-Y589 HydrophobicContact CD2-CD1 3.65Å; L383-Y589 HydrophobicContact CD2-CE1 4.33Å; L383-Y589 HydrophobicContact CG-CD1 4.01Å; L383-Y589 HydrophobicContact CG-CG 4.43Å; L383-Y589 PolarHBondContact O-N 3.43Å; I385-Y589 HydrophobicContact CD1-CD2 3.67Å; I385-Y589 HydrophobicContact CD1-CE2 4.36Å; I385-Y589 HydrophobicContact CD1-CG 4.35Å
590	T	52.3	Low	79.6	Confident	47 Å²	47	56.5 Å²	56.5	29%	0.288	31%	0.307	S	S	.	.	S	Bend	trans	-136.3	154.8	175	55.3	0	0	0	0	110.8	L588	L588-T590 WeakPolarHBondContact CD1-O 3.27Å; L588-T590 WeakPolarHBondContact CG-O 3.46Å
591	P	62.2	Low	79.6	Confident	88 Å²	88	59.1 Å²	59.1	57%	0.571	32%	0.319	S	S	*	.			trans	-58.3	161.7	167.1	27.5	-36.1	0	0	0	111.7
592	A	75.2	Confident	79.7	Confident	14 Å²	14	59.1 Å²	59.1	12%	0.116	32%	0.319	C	S	.	.			trans	-72.4	130.6	174.2	0	0	0	0	0	110.5	V380 S381 E482 L484	V380-A592 HydrophobicContact CG1-CB 3.83Å; S381-A592 WeakPolarHBondContact O-CA 3.46Å; E482-A592 HydrophobicContact CB-CB 4.07Å; L484-A592 HydrophobicContact CB-CB 4.21Å
593	L	77.8	Confident	79.7	Confident	90 Å²	90	60 Å²	60	47%	0.471	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	130.3	-172.6	-64.6	173.6	0	0	0	112.2	V380 S381 V595	V380-L593 CarbonylContact C-O 3.6Å; V380-L593 WeakPolarHBondContact CA-O 3.17Å; S381-L593 PolarHBondContact N-O 2.84Å; S381-L593 PolarHBondContact O-N 2.01Å; L593-V595 HydrophobicContact CB-CG1 4.05Å; L593-V595 PolarHBondContact O-N 3.31Å
594	K	80.7	Confident	79.8	Confident	53 Å²	53	59.8 Å²	59.8	23%	0.23	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	114.6	166.8	-99.3	-176.9	-172.8	79.2	0	110.3	S377 H378 V380 E482 D577	S377-K594 WeakPolarHBondContact OG-CE 3.49Å; H378-K594 HydrophobicContact CB-CB 3.96Å; H378-K594 HydrophobicContact CB-CD 4.36Å; H378-K594 HydrophobicContact CB-CG 4.01Å; V380-K594 HydrophobicContact CG2-CG 4.29Å; E482-K594 VanDerWaalsContact OE1-CD 3.24Å; E482-K594 WeakPolarHBondContact OE1-CD 3.5Å; E482-K594 VanDerWaalsContact OE1-CG 3.27Å; E482-K594 WeakPolarHBondContact OE1-CG 3.39Å; E482-K594 IonicContact OE1-NZ 3.95Å; E482-K594 PolarHBondContact OE1-NZ 2.83Å; E482-K594 IonicContact OE2-NZ 3.03Å; E482-K594 PolarHBondContact OE2-NZ 3.05Å; D577-K594 VanDerWaalsContact CG-CE 3.41Å; D577-K594 IonicContact OD1-NZ 2.63Å; D577-K594 WeakPolarHBondContact OD2-CE 3.28Å; D577-K594 IonicContact OD2-NZ 3.99Å; D577-K594 PolarHBondContact OD2-NZ 3.19Å
595	V	79.5	Confident	79.9	Confident	74 Å²	74	60.6 Å²	60.6	45%	0.448	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	-23.9	-177.3	-63.6	0	0	0	0	114.7	Y362 G379 L593	Y362-V595 HydrophobicContact CD1-CG2 3.9Å; Y362-V595 HydrophobicContact CE1-CG2 4.18Å; G379-V595 PolarHBondContact O-N 2.91Å; L593-V595 HydrophobicContact CB-CG1 4.05Å; L593-V595 PolarHBondContact O-N 3.31Å
596	M	82.9	Confident	79.9	Confident	33 Å²	33	57.7 Å²	57.7	16%	0.163	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	120.2	-169.2	-175.6	53.3	76.6	0	0	112.4	Y362 G363 A365 H378 G379 H599 E601	Y362-M596 HydrophobicContact CD1-CE 4.18Å; Y362-M596 HydrophobicContact CG-CE 4.13Å; G363-M596 VanDerWaalsContact O-CB 3.32Å; G363-M596 WeakPolarHBondContact O-CB 3.22Å; G363-M596 VanDerWaalsContact O-CG 3.3Å; G363-M596 WeakPolarHBondContact O-CG 3.34Å; A365-M596 WeakPolarHBondContact CB-O 3.37Å; H378-M596 CarbonylContact C-O 3.58Å; H378-M596 WeakPolarHBondContact CA-O 3.29Å; G379-M596 PolarHBondContact N-O 3.01Å; G379-M596 PolarHBondContact O-N 2.85Å; M596-H599 WeakPolarHBondContact CG-O 3.04Å; M596-E601 HydrophobicContact CE-CG 3.96Å
597	E	85.4	Confident	79.8	Confident	126 Å²	126	59.8 Å²	59.8	59%	0.589	30%	0.303	S	S	*	.	S	Bend	trans	-93.5	-12.3	177	-69.6	-165.2	172.8	0	0	114.5	A365 R376 H378 Q401	A365-E597 WeakPolarHBondContact CB-O 3.37Å; R376-E597 WeakPolarHBondContact CD-O 3.46Å; H378-E597 WeakPolarHBondContact CD2-CG 3.4Å; H378-E597 IonicContact CD2-OE1 3.61Å; H378-E597 IonicContact CE1-OE1 3.78Å; H378-E597 WeakPolarHBondContact NE2-CG 3.34Å; H378-E597 IonicContact NE2-OE1 3.78Å; H378-E597 PolarHBondContact NE2-OE1 2.89Å; Q401-E597 PolarHBondContact NE2-O 2.82Å
598	G	87.4	Confident	79.5	Confident	23 Å²	23	56.3 Å²	56.3	24%	0.237	29%	0.286	C	S	.	.	S	Bend	trans	-111.8	-144.5	-172	0	0	0	0	0	114.4	A365	A365-G598 PolarHBondContact N-O 3.23Å
599	H	94.4	Very high	79	Confident	70 Å²	70	56.9 Å²	56.9	32%	0.324	29%	0.289	S	S	.	.	S	Bend	trans	-65	160.1	159.6	-59.2	-90.5	0	0	0	110	T310 Q400 M596	T310-H599 HydrophobicContact CG2-CB 3.84Å; Q400-H599 WeakPolarHBondContact CG-ND1 3.07Å; M596-H599 WeakPolarHBondContact CG-O 3.04Å
600	G	92.7	Very high	79.7	Confident	5 Å²	5	50.8 Å²	50.8	5%	0.052	27%	0.267	C	S	.	.			trans	-69.7	173.3	168.1	0	0	0	0	0	112.3	Y362 V398 G399	Y362-G600 WeakPolarHBondContact O-CA 3.47Å; V398-G600 WeakPolarHBondContact CG1-O 3.45Å; G399-G600 PolarHBondContact O-N 3.37Å
601	E	94.8	Very high	80	Confident	56 Å²	56	52.3 Å²	52.3	26%	0.262	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	164.4	170.2	67.7	-175.1	-171.3	0	0	110.5	L307 F308 Y362 M596	L307-E601 HydrophobicContact CD1-CB 4.21Å; L307-E601 HydrophobicContact CD1-CG 4.43Å; F308-E601 WeakPolarHBondContact O-CA 3.33Å; Y362-E601 HydrophobicContact CD2-CG 3.37Å; Y362-E601 HydrophobicContact CE2-CG 3.92Å; Y362-E601 HydrophobicContact CG-CG 3.88Å; Y362-E601 PolarHBondContact N-O 3.48Å; Y362-E601 PolarHBondContact O-N 2.66Å; M596-E601 HydrophobicContact CE-CG 3.96Å
602	V	95.6	Very high	80	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	133.6	165.5	178.8	0	0	0	0	108.4	L307 F308 I359 S360 I396 V398 T448 V450 I604	L307-V602 WeakPolarHBondContact CA-O 3.48Å; F308-V602 HydrophobicContact CB-CB 4.17Å; F308-V602 HydrophobicContact CD2-CB 4.19Å; F308-V602 HydrophobicContact CD2-CG1 4.28Å; F308-V602 PolarHBondContact N-O 2.88Å; F308-V602 PolarHBondContact O-N 2.97Å; I359-V602 HydrophobicContact CG2-CG1 4.04Å; S360-V602 CarbonylContact O-C 3.53Å; S360-V602 VanDerWaalsContact O-CA 3.28Å; S360-V602 WeakPolarHBondContact O-CA 3.36Å; S360-V602 WeakPolarHBondContact O-CG1 3.45Å; I396-V602 HydrophobicContact CG2-CB 4.26Å; I396-V602 HydrophobicContact CG2-CG2 3.91Å; V398-V602 HydrophobicContact CG2-CG2 4.37Å; T448-V602 HydrophobicContact CG2-CG2 3.22Å; V450-V602 HydrophobicContact CG2-CB 4.48Å; V450-V602 HydrophobicContact CG2-CG1 3.83Å; V450-V602 HydrophobicContact CG2-CG2 3.76Å; V602-I604 HydrophobicContact CG1-CG1 4.03Å
603	N	91.1	Very high	79.6	Confident	28 Å²	28	51.9 Å²	51.9	15%	0.15	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	118.9	175.4	-162.3	-25.8	0	0	0	108.8	L307 S360 K605	L307-N603 HydrophobicContact CD1-CB 4.27Å; S360-N603 PolarHBondContact N-O 3.39Å; S360-N603 PolarHBondContact O-N 3.07Å; N603-K605 WeakPolarHBondContact OD1-CE 3.41Å
604	I	91.6	Very high	78.9	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.4	176.2	-55.8	-175.1	0	0	0	108.6	W306 F308 W349 Y357 S358 I359 L394 I396 V602	W306-I604 HydrophobicContact CB-CB 4.42Å; W306-I604 HydrophobicContact CE3-CB 4.46Å; W306-I604 HydrophobicContact CE3-CG2 4.25Å; W306-I604 PolarHBondContact N-O 3.25Å; W306-I604 PolarHBondContact O-N 3.07Å; F308-I604 HydrophobicContact CD2-CG1 4.48Å; F308-I604 HydrophobicContact CE2-CB 4.4Å; F308-I604 HydrophobicContact CE2-CD1 3.74Å; F308-I604 HydrophobicContact CE2-CG1 3.91Å; F308-I604 HydrophobicContact CZ-CD1 4.31Å; W349-I604 HydrophobicContact CE3-CD1 4.01Å; W349-I604 HydrophobicContact CH2-CG2 4.09Å; W349-I604 HydrophobicContact CZ3-CD1 3.9Å; W349-I604 HydrophobicContact CZ3-CG2 4.16Å; Y357-I604 HydrophobicContact CD1-CG2 3.84Å; Y357-I604 HydrophobicContact CG-CG2 4.43Å; S358-I604 WeakPolarHBondContact O-CA 3.35Å; I359-I604 HydrophobicContact CG1-CG1 4.23Å; I359-I604 HydrophobicContact CG1-CG2 4.41Å; I359-I604 HydrophobicContact CG2-CG1 4.3Å; L394-I604 HydrophobicContact CD1-CD1 3.85Å; I396-I604 HydrophobicContact CD1-CD1 3.98Å; V602-I604 HydrophobicContact CG1-CG1 4.03Å
605	K	84.3	Confident	77.7	Confident	106 Å²	106	52.9 Å²	52.9	46%	0.461	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	155	177.6	-60.2	-178.5	-178.6	177.9	0	109.8	H305 Y357 S358 N603	H305-K605 HydrophobicContact CB-CG 3.97Å; Y357-K605 CarbonylContact C-O 3.57Å; Y357-K605 WeakPolarHBondContact CA-O 3.46Å; Y357-K605 WeakPolarHBondContact CD1-O 3.49Å; S358-K605 PolarHBondContact N-O 3.44Å; S358-K605 PolarHBondContact O-N 2.83Å; N603-K605 WeakPolarHBondContact OD1-CE 3.41Å
606	H	79.7	Confident	76.5	Confident	46 Å²	46	54.6 Å²	54.6	21%	0.213	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	136.7	163.1	-79.7	-101.3	0	0	0	109.4	W306 D355 Y357	W306-H606 AromaticContact CH2-CD2 3.77Å; W306-H606 AromaticContact CH2-NE2 3.62Å; W306-H606 AromaticContact CZ3-CD2 3.75Å; W306-H606 AromaticContact CZ3-NE2 3.98Å; D355-H606 IonicContact OD2-CE1 3.58Å; D355-H606 PolarHBondContact OD2-CE1 3.47Å; D355-H606 IonicContact OD2-CG 3.83Å; D355-H606 IonicContact OD2-ND1 2.67Å; D355-H606 PolarHBondContact OD2-ND1 2.79Å; Y357-H606 AromaticContact CE1-CD2 3.61Å; Y357-H606 AromaticContact CE1-CE1 3.65Å; Y357-H606 AromaticContact CE1-CG 3.97Å; Y357-H606 AromaticContact CE1-ND1 3.98Å; Y357-H606 AromaticContact CE1-NE2 3.38Å; Y357-H606 WeakPolarHBondContact CE1-NE2 3.39Å; Y357-H606 AromaticContact CZ-CE1 3.51Å; Y357-H606 AromaticContact CZ-NE2 3.61Å; Y357-H606 PolarHBondContact OH-CE1 3.26Å; Y357-H606 PolarHBondContact OH-NE2 2.73Å; Y357-H606 VanDerWaalsContact OH-NE2 3.15Å
607	Y	72.6	Confident	75.3	Confident	62 Å²	62	59.1 Å²	59.1	24%	0.243	30%	0.302	C	S	.	.			trans	-95.3	109.2	175.2	174.4	-100.2	0	0	0	109.3	T356 I385 N609	T356-Y607 HydrophobicContact CG2-CD1 3.55Å; T356-Y607 HydrophobicContact CG2-CE1 4.48Å; T356-Y607 HydrophobicContact CG2-CG 4.07Å; T356-Y607 PolarHBondContact O-N 2.95Å; I385-Y607 HydrophobicContact CD1-CD2 3.88Å; I385-Y607 HydrophobicContact CD1-CE1 4.35Å; I385-Y607 HydrophobicContact CD1-CE2 3.42Å; I385-Y607 VanDerWaalsContact CD1-CE2 3.42Å; I385-Y607 HydrophobicContact CG1-CD2 3.93Å; I385-Y607 HydrophobicContact CG1-CE2 4.01Å; I385-Y607 HydrophobicContact CG1-CG 4.39Å; I385-Y607 HydrophobicContact CG2-CD1 3.83Å; I385-Y607 HydrophobicContact CG2-CD2 4.22Å; I385-Y607 HydrophobicContact CG2-CE1 4.18Å; I385-Y607 HydrophobicContact CG2-CG 3.84Å; Y607-N609 HydrophobicContact CE1-CB 4.01Å; Y607-N609 PolarHBondContact O-N 2.9Å
608	L	66.6	Low	74.6	Confident	45 Å²	45	54.2 Å²	54.2	24%	0.236	28%	0.281	C	S	.	.			trans	-73.2	120.9	168.6	-72.6	78.8	0	0	0	108.3	C610 M620	L608-C610 PolarHBondContact O-N 3Å; L608-M620 HydrophobicContact CD2-CB 3.89Å; L608-M620 VanDerWaalsContact CD2-N 3.35Å
609	N	60.5	Low	73.3	Confident	87 Å²	87	56.3 Å²	56.3	47%	0.465	29%	0.285	S	S	.	.			trans	-76.9	89	172.8	-175.7	16.3	0	0	0	110.7	Y607 S611 H612	Y607-N609 HydrophobicContact CE1-CB 4.01Å; Y607-N609 PolarHBondContact O-N 2.9Å; N609-S611 PolarHBondContact ND2-OG 3.5Å; N609-S611 PolarHBondContact O-N 2.83Å; N609-S611 WeakPolarHBondContact OD1-CB 3.02Å; N609-S611 PolarHBondContact OD1-N 2.98Å; N609-S611 PolarHBondContact OD1-OG 2.99Å; N609-S611 VanDerWaalsContact OD1-OG 3.1Å; N609-H612 PolarHBondContact O-CE1 2.89Å; N609-H612 PolarHBondContact O-ND1 3.17Å; N609-H612 VanDerWaalsContact O-ND1 3.12Å
610	C	66.1	Low	71.5	Confident	14 Å²	14	55.8 Å²	55.8	10%	0.095	28%	0.283	C	S	.	.			trans	-76.7	2	178.2	-54.8	0	0	0	0	114.2	L608 H612 C613 D616 C618	L608-C610 PolarHBondContact O-N 3Å; C610-H612 PolarHBondContact O-N 3.06Å; C610-C613 VanDerWaalsContact O-CB 3.25Å; C610-C613 WeakPolarHBondContact O-CB 3.23Å; C610-C613 PolarHBondContact O-N 3.49Å; C610-C613 PolarHBondContact O-SG 2.82Å; C610-C613 VanDerWaalsContact O-SG 3.4Å; C610-D616 WeakPolarHBondContact CB-O 3Å; C610-C618 WeakPolarHBondContact CA-SG 3.26Å; C610-C618 HydrophobicContact CB-CB 3.73Å; C610-C618 WeakPolarHBondContact CB-SG 3.33Å; C610-C618 WeakPolarHBondContact SG-CB 3.06Å; C610-C618 PolarHBondContact SG-N 2.81Å; C610-C618 CovalentContact SG-SG 2.04Å; C610-C618 PolarHBondContact SG-SG 2.78Å
611	S	59.7	Low	69.8	Low	79 Å²	79	57.4 Å²	57.4	55%	0.552	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	13	-173.5	87.3	0	0	0	0	116.9	N609 D616	N609-S611 PolarHBondContact ND2-OG 3.5Å; N609-S611 PolarHBondContact O-N 2.83Å; N609-S611 WeakPolarHBondContact OD1-CB 3.02Å; N609-S611 PolarHBondContact OD1-N 2.98Å; N609-S611 PolarHBondContact OD1-OG 2.99Å; N609-S611 VanDerWaalsContact OD1-OG 3.1Å; S611-D616 WeakPolarHBondContact CA-OD1 3.16Å
612	H	61.3	Low	67.5	Low	85 Å²	85	59.1 Å²	59.1	39%	0.394	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-35.2	166.6	50.6	-70.8	0	0	0	110.8	N609 C610 V642	N609-H612 PolarHBondContact O-CE1 2.89Å; N609-H612 PolarHBondContact O-ND1 3.17Å; N609-H612 VanDerWaalsContact O-ND1 3.12Å; C610-H612 PolarHBondContact O-N 3.06Å; H612-V642 HydrophobicContact CB-CG1 4.31Å; H612-V642 WeakPolarHBondContact O-CG1 3.43Å
613	C	67.4	Low	65.2	Low	7 Å²	7	67.6 Å²	67.6	5%	0.047	35%	0.346	C	S	.	.	S	Bend	trans	-66.9	138.6	-177.9	-52.7	0	0	0	0	112.1	C610 V615 D616 C629	C610-C613 VanDerWaalsContact O-CB 3.25Å; C610-C613 WeakPolarHBondContact O-CB 3.23Å; C610-C613 PolarHBondContact O-N 3.49Å; C610-C613 PolarHBondContact O-SG 2.82Å; C610-C613 VanDerWaalsContact O-SG 3.4Å; C613-V615 PolarHBondContact O-N 2.95Å; C613-D616 PolarHBondContact O-N 2.63Å; C613-C629 WeakPolarHBondContact CA-SG 3.46Å; C613-C629 HydrophobicContact CB-CB 3.5Å; C613-C629 WeakPolarHBondContact CB-SG 3.3Å; C613-C629 WeakPolarHBondContact SG-CA 3.46Å; C613-C629 WeakPolarHBondContact SG-CB 3.5Å; C613-C629 CovalentContact SG-SG 2.02Å; C613-C629 PolarHBondContact SG-SG 3.24Å
614	E	61.8	Low	63.6	Low	118 Å²	118	69.2 Å²	69.2	55%	0.551	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-16.3	-174.5	-168.6	168.7	160.5	0	0	114.7	V642 S643 C644	E614-V642 PolarHBondContact N-O 2.77Å; E614-S643 VanDerWaalsContact OE2-CA 3.23Å; E614-S643 WeakPolarHBondContact OE2-CA 3.44Å; E614-S643 VanDerWaalsContact OE2-CB 3.24Å; E614-S643 WeakPolarHBondContact OE2-CB 3.36Å; E614-S643 PolarHBondContact OE2-OG 2.87Å; E614-C644 HydrophobicContact CB-CB 4.32Å; E614-C644 PolarHBondContact OE2-N 3.09Å
615	V	56.1	Low	61.9	Low	46 Å²	46	72.9 Å²	72.9	28%	0.279	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	14	178.7	-58.8	0	0	0	0	114.1	C613 E617 F630 D632	C613-V615 PolarHBondContact O-N 2.95Å; V615-E617 HydrophobicContact CG2-CB 4.32Å; V615-E617 PolarHBondContact O-N 2.71Å; V615-F630 WeakPolarHBondContact CG2-O 3.32Å; V615-D632 HydrophobicContact CG1-CB 4.42Å
616	D	54.5	Low	60.6	Low	110 Å²	110	74.6 Å²	74.6	59%	0.588	38%	0.384	S	S	*	.	S	Bend	trans	55.2	7.3	-177.3	-82.8	-44.4	0	0	0	116.6	C610 S611 C613	C610-D616 WeakPolarHBondContact CB-O 3Å; S611-D616 WeakPolarHBondContact CA-OD1 3.16Å; C613-D616 PolarHBondContact O-N 2.63Å
617	E	58.3	Low	59.8	Low	128 Å²	128	75 Å²	75	60%	0.598	39%	0.39	S	S	*	.			trans	-100.9	134	171.7	-71.1	-157.2	146.9	0	0	112.8	V615 F630	V615-E617 HydrophobicContact CG2-CB 4.32Å; V615-E617 PolarHBondContact O-N 2.71Å; E617-F630 HydrophobicContact CB-CB 4.27Å; E617-F630 PolarHBondContact O-N 2.95Å
618	C	70.2	Confident	59.6	Low	23 Å²	23	75 Å²	75	16%	0.155	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	159.5	178.2	75.8	0	0	0	0	112.9	C610 V627 I628	C610-C618 WeakPolarHBondContact CA-SG 3.26Å; C610-C618 HydrophobicContact CB-CB 3.73Å; C610-C618 WeakPolarHBondContact CB-SG 3.33Å; C610-C618 WeakPolarHBondContact SG-CB 3.06Å; C610-C618 PolarHBondContact SG-N 2.81Å; C610-C618 CovalentContact SG-SG 2.04Å; C610-C618 PolarHBondContact SG-SG 2.78Å; C618-V627 HydrophobicContact CB-CG1 3.54Å; C618-V627 WeakPolarHBondContact SG-CG1 3.43Å; C618-I628 VanDerWaalsContact CA-O 3.29Å; C618-I628 WeakPolarHBondContact CA-O 3.32Å; C618-I628 WeakPolarHBondContact CB-O 3.45Å
619	H	60.6	Low	60.1	Low	67 Å²	67	73 Å²	73	31%	0.31	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	164.2	168	74.9	-69.8	0	0	0	110.8	V627 I628 F630	H619-V627 CarbonylContact O-C 3.59Å; H619-V627 WeakPolarHBondContact O-CA 3.39Å; H619-I628 PolarHBondContact N-O 2.84Å; H619-I628 PolarHBondContact ND1-O 2.97Å; H619-I628 PolarHBondContact O-N 2.78Å; H619-F630 HydrophobicContact CB-CE2 4.02Å; H619-F630 AromaticContact CE1-CE2 3.98Å; H619-F630 AromaticContact CE1-CZ 3.49Å; H619-F630 VanDerWaalsContact CE1-CZ 3.49Å; H619-F630 WeakPolarHBondContact CE1-CZ 3.35Å; H619-F630 AromaticContact CG-CE2 3.82Å; H619-F630 AromaticContact CG-CZ 4Å; H619-F630 AromaticContact ND1-CE2 3.17Å; H619-F630 WeakPolarHBondContact ND1-CE2 3.44Å; H619-F630 AromaticContact ND1-CZ 3.16Å; H619-F630 WeakPolarHBondContact ND1-CZ 3.42Å
620	M	56.3	Low	60.5	Low	59 Å²	59	73.5 Å²	73.5	29%	0.291	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	123.6	171.4	-168.3	-176.2	-52.4	0	0	108.9	P302 L608 K626	P302-M620 HydrophobicContact CB-CB 4.27Å; P302-M620 HydrophobicContact CG-CB 3.84Å; P302-M620 HydrophobicContact CG-CG 4.2Å; P302-M620 HydrophobicContact CG-SD 4.1Å; L608-M620 HydrophobicContact CD2-CB 3.89Å; L608-M620 VanDerWaalsContact CD2-N 3.35Å; M620-K626 CarbonylContact C-O 3.46Å; M620-K626 WeakPolarHBondContact CA-O 3.44Å
621	D	56	Low	60.7	Low	39 Å²	39	74.4 Å²	74.4	21%	0.209	39%	0.387	C	S	.	.			trans	-66.3	121	177.9	171.1	46.5	0	0	0	110.6	E623 S624 H625 K626 I628	D621-E623 PolarHBondContact O-N 2.86Å; D621-S624 WeakPolarHBondContact OD2-CA 3.3Å; D621-S624 WeakPolarHBondContact OD2-CB 3.42Å; D621-S624 PolarHBondContact OD2-N 3.38Å; D621-S624 PolarHBondContact OD2-OG 3.45Å; D621-H625 WeakPolarHBondContact O-CA 3.3Å; D621-H625 PolarHBondContact O-N 3.41Å; D621-K626 PolarHBondContact N-O 2.93Å; D621-I628 HydrophobicContact CB-CD1 3.78Å; D621-I628 HydrophobicContact CB-CG1 4.29Å
622	P	46.5	Very low	60.8	Low	92 Å²	92	76.4 Å²	76.4	60%	0.597	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-20.7	-172.6	26.1	-35.7	0	0	0	114.2
623	E	48.8	Very low	60.2	Low	179 Å²	179	79 Å²	79	84%	0.836	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-52.5	176.4	-64.6	-164.1	169.6	0	0	112.1	D621 H625	D621-E623 PolarHBondContact O-N 2.86Å; E623-H625 PolarHBondContact O-ND1 2.93Å
624	S	56.8	Low	59.6	Low	61 Å²	61	81.3 Å²	81.3	43%	0.427	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-7.5	-174.5	75.3	0	0	0	0	115.7	D621 K626	D621-S624 WeakPolarHBondContact OD2-CA 3.3Å; D621-S624 WeakPolarHBondContact OD2-CB 3.42Å; D621-S624 PolarHBondContact OD2-N 3.38Å; D621-S624 PolarHBondContact OD2-OG 3.45Å; S624-K626 PolarHBondContact O-N 3.18Å
625	H	55.4	Low	59.9	Low	78 Å²	78	77.4 Å²	77.4	36%	0.361	41%	0.413	S	S	.	.			trans	56.7	24.9	-176.6	-64.3	53.4	0	0	0	113.8	D621 E623	D621-H625 WeakPolarHBondContact O-CA 3.3Å; D621-H625 PolarHBondContact O-N 3.41Å; E623-H625 PolarHBondContact O-ND1 2.93Å
626	K	56.9	Low	60.6	Low	141 Å²	141	78.5 Å²	78.5	61%	0.613	42%	0.419	S	S	*	.			trans	-92.7	144.5	174.6	-69.5	-175.3	176.4	-175	0	110.5	M620 D621 S624	M620-K626 CarbonylContact C-O 3.46Å; M620-K626 WeakPolarHBondContact CA-O 3.44Å; D621-K626 PolarHBondContact N-O 2.93Å; S624-K626 PolarHBondContact O-N 3.18Å
627	V	63	Low	61.6	Low	55 Å²	55	76 Å²	76	33%	0.333	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	128.5	164.6	-175.5	0	0	0	0	108.3	C618 H619	C618-V627 HydrophobicContact CB-CG1 3.54Å; C618-V627 WeakPolarHBondContact SG-CG1 3.43Å; H619-V627 CarbonylContact O-C 3.59Å; H619-V627 WeakPolarHBondContact O-CA 3.39Å
628	I	69.1	Low	62.2	Low	61 Å²	61	70.6 Å²	70.6	31%	0.313	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	115.6	174.4	-62.9	-177.3	0	0	0	107.1	C618 H619 D621 L637	C618-I628 VanDerWaalsContact CA-O 3.29Å; C618-I628 WeakPolarHBondContact CA-O 3.32Å; C618-I628 WeakPolarHBondContact CB-O 3.45Å; H619-I628 PolarHBondContact N-O 2.84Å; H619-I628 PolarHBondContact ND1-O 2.97Å; H619-I628 PolarHBondContact O-N 2.78Å; D621-I628 HydrophobicContact CB-CD1 3.78Å; D621-I628 HydrophobicContact CB-CG1 4.29Å; I628-L637 HydrophobicContact CG2-CD2 4.36Å
629	C	76.1	Confident	62.3	Low	3 Å²	3	79.6 Å²	79.6	2%	0.02	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	143.4	171.6	-61.8	0	0	0	0	111.2	C613 L637	C613-C629 WeakPolarHBondContact CA-SG 3.46Å; C613-C629 HydrophobicContact CB-CB 3.5Å; C613-C629 WeakPolarHBondContact CB-SG 3.3Å; C613-C629 WeakPolarHBondContact SG-CA 3.46Å; C613-C629 WeakPolarHBondContact SG-CB 3.5Å; C613-C629 CovalentContact SG-SG 2.02Å; C613-C629 PolarHBondContact SG-SG 3.24Å; C629-L637 HydrophobicContact CB-CD1 3.67Å; C629-L637 HydrophobicContact CB-CD2 4.47Å
630	F	68.7	Low	62.7	Low	99 Å²	99	81.2 Å²	81.2	43%	0.434	43%	0.433	S	S	.	.			trans	-94.9	174.2	164.7	-74.9	-63.4	0	0	0	111	V615 E617 H619 C644	V615-F630 WeakPolarHBondContact CG2-O 3.32Å; E617-F630 HydrophobicContact CB-CB 4.27Å; E617-F630 PolarHBondContact O-N 2.95Å; H619-F630 HydrophobicContact CB-CE2 4.02Å; H619-F630 AromaticContact CE1-CE2 3.98Å; H619-F630 AromaticContact CE1-CZ 3.49Å; H619-F630 VanDerWaalsContact CE1-CZ 3.49Å; H619-F630 WeakPolarHBondContact CE1-CZ 3.35Å; H619-F630 AromaticContact CG-CE2 3.82Å; H619-F630 AromaticContact CG-CZ 4Å; H619-F630 AromaticContact ND1-CE2 3.17Å; H619-F630 WeakPolarHBondContact ND1-CE2 3.44Å; H619-F630 AromaticContact ND1-CZ 3.16Å; H619-F630 WeakPolarHBondContact ND1-CZ 3.42Å; F630-C644 PolarHBondContact O-SG 3.35Å
631	C	71.5	Confident	63.3	Low	33 Å²	33	79.8 Å²	79.8	22%	0.223	43%	0.434	C	S	.	.			trans	-146.2	146	-176.1	-75.5	0	0	0	0	111.1	T635 C644	C631-T635 WeakPolarHBondContact CB-OG1 3.21Å; C631-C644 WeakPolarHBondContact CA-SG 3.29Å; C631-C644 HydrophobicContact CB-CB 3.72Å; C631-C644 WeakPolarHBondContact CB-SG 3.31Å; C631-C644 WeakPolarHBondContact SG-CA 3.24Å; C631-C644 WeakPolarHBondContact SG-CB 3.07Å; C631-C644 CovalentContact SG-SG 2.04Å; C631-C644 PolarHBondContact SG-SG 3.15Å
632	D	62.2	Low	64	Low	120 Å²	120	80.2 Å²	80.2	64%	0.642	44%	0.438	S	S	*	.			trans	-64.6	147.1	-176.5	-114.3	-38.2	0	0	0	113.1	V615 G634 T635	V615-D632 HydrophobicContact CG1-CB 4.42Å; D632-G634 PolarHBondContact O-N 2.81Å; D632-T635 PolarHBondContact N-OG1 3.41Å; D632-T635 PolarHBondContact O-N 2.61Å; D632-T635 PolarHBondContact O-OG1 3.5Å
633	H	47.8	Very low	65.3	Low	141 Å²	141	78 Å²	78	65%	0.653	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	104.1	-166.9	-117.7	-78.3	0	0	0	113.4	R907	H633-R907 PolarHBondContact CD2-NH2 3.09Å; H633-R907 VanDerWaalsContact CG-CZ 3.42Å; H633-R907 PolarHBondContact NE2-NE 3.2Å; H633-R907 PolarHBondContact NE2-NH2 3.44Å
634	G	54	Low	66.7	Low	54 Å²	54	70 Å²	70	56%	0.557	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	127.5	-18.1	-174.4	0	0	0	0	0	112.8	D632	D632-G634 PolarHBondContact O-N 2.81Å
635	T	68.5	Low	67.5	Low	37 Å²	37	70.9 Å²	70.9	23%	0.227	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	163.2	166.3	62.3	0	0	0	0	110.8	C631 D632 C644 I645 V646	C631-T635 WeakPolarHBondContact CB-OG1 3.21Å; D632-T635 PolarHBondContact N-OG1 3.41Å; D632-T635 PolarHBondContact O-N 2.61Å; D632-T635 PolarHBondContact O-OG1 3.5Å; T635-C644 WeakPolarHBondContact CG2-O 3.1Å; T635-I645 CarbonylContact C-O 3.47Å; T635-I645 VanDerWaalsContact CA-O 3.27Å; T635-I645 WeakPolarHBondContact CA-O 3.4Å; T635-I645 WeakPolarHBondContact CB-O 3.4Å; T635-V646 HydrophobicContact CG2-CG2 4.12Å
636	V	72.3	Confident	67.8	Low	68 Å²	68	72.6 Å²	72.6	41%	0.412	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	150.8	173.5	-64.6	0	0	0	0	108.7	A638 I645	V636-A638 PolarHBondContact O-N 3.49Å; V636-I645 HydrophobicContact CG2-CD1 4.47Å; V636-I645 HydrophobicContact CG2-CG1 4Å; V636-I645 PolarHBondContact N-O 2.88Å; V636-I645 VanDerWaalsContact O-CG1 3.28Å; V636-I645 WeakPolarHBondContact O-CG1 3.41Å; V636-I645 PolarHBondContact O-N 3Å
637	L	74.6	Confident	67.2	Low	59 Å²	59	69 Å²	69	31%	0.309	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	131.6	178	-163.7	69.2	0	0	0	110.4	I628 C629	I628-L637 HydrophobicContact CG2-CD2 4.36Å; C629-L637 HydrophobicContact CB-CD1 3.67Å; C629-L637 HydrophobicContact CB-CD2 4.47Å
638	A	70.3	Confident	66.2	Low	13 Å²	13	71.4 Å²	71.4	11%	0.107	41%	0.412	C	S	.	.			trans	-73.9	171.3	-179	0	0	0	0	0	112.6	V636 D640 G641 S643 I645	V636-A638 PolarHBondContact O-N 3.49Å; A638-D640 PolarHBondContact O-N 3.1Å; A638-D640 VanDerWaalsContact O-N 3.15Å; A638-G641 PolarHBondContact O-N 2.93Å; A638-S643 WeakPolarHBondContact CB-O 3.47Å; A638-S643 PolarHBondContact N-O 3.29Å; A638-I645 HydrophobicContact CB-CD1 4.03Å; A638-I645 HydrophobicContact CB-CG1 3.99Å; A638-I645 HydrophobicContact CB-CG2 4Å
639	E	72.8	Confident	64.7	Low	212 Å²	212	74.3 Å²	74.3	99%	0.991	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-15.3	177.9	-66.2	-167.5	148.9	0	0	113.9	G641	E639-G641 VanDerWaalsContact C-N 3.28Å
640	D	69.9	Low	62.9	Low	102 Å²	102	80.2 Å²	80.2	55%	0.545	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-18.1	169.3	52.5	49.9	0	0	0	113.5	A638 V642 S643	A638-D640 PolarHBondContact O-N 3.1Å; A638-D640 VanDerWaalsContact O-N 3.15Å; D640-V642 VanDerWaalsContact C-N 3.34Å; D640-V642 WeakPolarHBondContact OD1-CA 3.41Å; D640-V642 PolarHBondContact OD1-N 2.91Å; D640-S643 PolarHBondContact OD1-N 2.93Å
641	G	67.9	Low	61.3	Low	29 Å²	29	83.3 Å²	83.3	30%	0.299	49%	0.487	S	S	.	.	S	Bend	trans	77.3	15.1	-178.3	0	0	0	0	0	114.6	A638 E639	A638-G641 PolarHBondContact O-N 2.93Å; E639-G641 VanDerWaalsContact C-N 3.28Å
642	V	71.9	Confident	59.8	Low	48 Å²	48	86.8 Å²	86.8	29%	0.291	51%	0.509	S	S	.	.	S	Bend	trans	-136.3	-41.5	-167.5	-178.4	0	0	0	0	113.1	H612 E614 D640	H612-V642 HydrophobicContact CB-CG1 4.31Å; H612-V642 WeakPolarHBondContact O-CG1 3.43Å; E614-V642 PolarHBondContact N-O 2.77Å; D640-V642 VanDerWaalsContact C-N 3.34Å; D640-V642 WeakPolarHBondContact OD1-CA 3.41Å; D640-V642 PolarHBondContact OD1-N 2.91Å
643	S	72.3	Confident	58.8	Low	44 Å²	44	89.6 Å²	89.6	31%	0.308	52%	0.518	S	S	.	.			trans	-95.7	152.7	-175.8	-113.3	0	0	0	0	113.3	E614 A638 D640	E614-S643 VanDerWaalsContact OE2-CA 3.23Å; E614-S643 WeakPolarHBondContact OE2-CA 3.44Å; E614-S643 VanDerWaalsContact OE2-CB 3.24Å; E614-S643 WeakPolarHBondContact OE2-CB 3.36Å; E614-S643 PolarHBondContact OE2-OG 2.87Å; A638-S643 WeakPolarHBondContact CB-O 3.47Å; A638-S643 PolarHBondContact N-O 3.29Å; D640-S643 PolarHBondContact OD1-N 2.93Å
644	C	78	Confident	58.7	Low	13 Å²	13	88.4 Å²	88.4	9%	0.088	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	83	-170.7	-66.7	0	0	0	0	112	E614 F630 C631 T635	E614-C644 HydrophobicContact CB-CB 4.32Å; E614-C644 PolarHBondContact OE2-N 3.09Å; F630-C644 PolarHBondContact O-SG 3.35Å; C631-C644 WeakPolarHBondContact CA-SG 3.29Å; C631-C644 HydrophobicContact CB-CB 3.72Å; C631-C644 WeakPolarHBondContact CB-SG 3.31Å; C631-C644 WeakPolarHBondContact SG-CA 3.24Å; C631-C644 WeakPolarHBondContact SG-CB 3.07Å; C631-C644 CovalentContact SG-SG 2.04Å; C631-C644 PolarHBondContact SG-SG 3.15Å; T635-C644 WeakPolarHBondContact CG2-O 3.1Å
645	I	74.3	Confident	58.7	Low	78 Å²	78	89.6 Å²	89.6	40%	0.4	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	136.8	-178.9	53.9	171.9	0	0	0	111.9	T635 V636 A638 S647	T635-I645 CarbonylContact C-O 3.47Å; T635-I645 VanDerWaalsContact CA-O 3.27Å; T635-I645 WeakPolarHBondContact CA-O 3.4Å; T635-I645 WeakPolarHBondContact CB-O 3.4Å; V636-I645 HydrophobicContact CG2-CD1 4.47Å; V636-I645 HydrophobicContact CG2-CG1 4Å; V636-I645 PolarHBondContact N-O 2.88Å; V636-I645 VanDerWaalsContact O-CG1 3.28Å; V636-I645 WeakPolarHBondContact O-CG1 3.41Å; V636-I645 PolarHBondContact O-N 3Å; A638-I645 HydrophobicContact CB-CD1 4.03Å; A638-I645 HydrophobicContact CB-CG1 3.99Å; A638-I645 HydrophobicContact CB-CG2 4Å; I645-S647 PolarHBondContact O-N 3.04Å
646	V	62.2	Low	57.9	Low	115 Å²	115	94.4 Å²	94.4	70%	0.697	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.4	127.5	164.8	179.9	0	0	0	0	108	T635 P648	T635-V646 HydrophobicContact CG2-CG2 4.12Å; V646-P648 WeakPolarHBondContact O-CD 3.12Å; V646-P648 VanDerWaalsContact O-N 3.17Å
647	S	43.6	Very low	57.1	Low	66 Å²	66	95.3 Å²	95.3	46%	0.462	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-58.8	118.9	-172	51.8	0	0	0	0	111.5	I645 T649	I645-S647 PolarHBondContact O-N 3.04Å; S647-T649 PolarHBondContact O-N 2.72Å
648	P	42.1	Very low	56.2	Low	105 Å²	105	96.1 Å²	96.1	68%	0.682	55%	0.551	S	S	*	*			trans	-75.2	114.1	-172.2	27.9	-33.9	0	0	0	111	V646	V646-P648 WeakPolarHBondContact O-CD 3.12Å; V646-P648 VanDerWaalsContact O-N 3.17Å
649	T	37.5	Very low	55.7	Low	122 Å²	122	100.5 Å²	100.5	75%	0.748	57%	0.572	S	S	*	*			trans	-62.6	128.3	165	49.7	0	0	0	0	109.8	S647 E651	S647-T649 PolarHBondContact O-N 2.72Å; T649-E651 PolarHBondContact O-N 2.79Å
650	P	37.8	Very low	55	Low	127 Å²	127	96.3 Å²	96.3	83%	0.825	56%	0.555	S	S	*	*			trans	-70.2	114.8	-175.9	26.9	-34.1	0	0	0	111.9
651	E	36.2	Very low	54.5	Low	164 Å²	164	94 Å²	94	77%	0.766	55%	0.548	S	S	*	.			trans	-74.4	130.2	172.5	-72.2	-159.9	153.4	0	0	112.1	T649	T649-E651 PolarHBondContact O-N 2.79Å
652	P	39.3	Very low	54.4	Low	106 Å²	106	96.6 Å²	96.6	69%	0.688	56%	0.557	S	S	*	*			trans	-86.9	113.8	170.4	32.4	-30.7	0	0	0	111.1	L654	P652-L654 HydrophobicContact CB-CD1 4.37Å; P652-L654 PolarHBondContact O-N 2.83Å; P652-L654 VanDerWaalsContact O-N 3.11Å
653	H	42.7	Very low	54.4	Low	179 Å²	179	98.3 Å²	98.3	83%	0.829	57%	0.568	S	S	*	*			trans	-65.7	110.2	175.9	-57.7	-44.7	0	0	0	112
654	L	45	Very low	54.1	Low	115 Å²	115	100.2 Å²	100.2	60%	0.602	58%	0.577	S	S	*	*			trans	-91.1	142.3	177.2	-102	58.6	0	0	0	112.3	P652 L658	P652-L654 HydrophobicContact CB-CD1 4.37Å; P652-L654 PolarHBondContact O-N 2.83Å; P652-L654 VanDerWaalsContact O-N 3.11Å; L654-L658 HydrophobicContact CD2-CD1 3.92Å; L654-L658 HydrophobicContact CG-CD1 4.05Å
655	P	54	Low	53.6	Low	79 Å²	79	102.8 Å²	102.8	51%	0.513	60%	0.595	S	S	.	*			trans	-75.6	152.6	-174.1	30.4	-35.9	0	0	0	113.6	S657 L658	P655-S657 PolarHBondContact O-N 3.02Å; P655-L658 WeakPolarHBondContact O-CB 3.24Å; P655-L658 PolarHBondContact O-N 3.37Å
656	L	51.8	Low	53.3	Low	138 Å²	138	101.6 Å²	101.6	72%	0.723	60%	0.598	S	S	*	*	H	α-helix	trans	-60	-19.7	-169.5	-149.5	144.4	0	0	0	114.9	L658 I659	L656-L658 VanDerWaalsContact C-N 3.33Å; L656-L658 PolarHBondContact O-N 3.27Å; L656-I659 PolarHBondContact O-N 2.89Å
657	S	54.8	Low	53.8	Low	87 Å²	87	101.5 Å²	101.5	61%	0.608	59%	0.592	S	S	*	*	H	α-helix	trans	-63.7	-33.5	172.7	50.8	0	0	0	0	113.5	P655 L660 S661	P655-S657 PolarHBondContact O-N 3.02Å; S657-L660 PolarHBondContact O-N 2.88Å; S657-S661 PolarHBondContact O-N 2.8Å
658	L	54.9	Low	55.3	Low	76 Å²	76	102.6 Å²	102.6	40%	0.398	60%	0.596	S	S	.	*	H	α-helix	trans	-67.4	-39.7	179.5	-104.6	150	0	0	0	111.4	L654 P655 L656 L660 S661 V662	L654-L658 HydrophobicContact CD2-CD1 3.92Å; L654-L658 HydrophobicContact CG-CD1 4.05Å; P655-L658 WeakPolarHBondContact O-CB 3.24Å; P655-L658 PolarHBondContact O-N 3.37Å; L656-L658 VanDerWaalsContact C-N 3.33Å; L656-L658 PolarHBondContact O-N 3.27Å; L658-L660 VanDerWaalsContact C-N 3.33Å; L658-L660 PolarHBondContact O-N 3.3Å; L658-S661 PolarHBondContact O-N 3.03Å; L658-S661 VanDerWaalsContact O-N 3.12Å; L658-S661 PolarHBondContact O-OG 3.48Å; L658-V662 WeakPolarHBondContact O-CG2 3.22Å; L658-V662 PolarHBondContact O-N 3.19Å
659	I	61.7	Low	56.6	Low	106 Å²	106	99.8 Å²	99.8	54%	0.544	58%	0.582	S	S	.	*	H	α-helix	trans	-59.4	-44.3	177	-58.9	174.7	0	0	0	110.6	L656 S661 V662 V663	L656-I659 PolarHBondContact O-N 2.89Å; I659-S661 VanDerWaalsContact C-N 3.34Å; I659-S661 PolarHBondContact O-N 2.78Å; I659-V662 PolarHBondContact O-N 2.81Å; I659-V663 WeakPolarHBondContact O-CG2 3.22Å; I659-V663 PolarHBondContact O-N 2.91Å
660	L	56.4	Low	58.3	Low	123 Å²	123	96.7 Å²	96.7	64%	0.644	57%	0.569	S	S	*	*	H	α-helix	trans	-63.7	-38.7	176.5	-122.8	75.3	0	0	0	112.3	S657 L658 T664	S657-L660 PolarHBondContact O-N 2.88Å; L658-L660 VanDerWaalsContact C-N 3.33Å; L658-L660 PolarHBondContact O-N 3.3Å; L660-T664 WeakPolarHBondContact O-CG2 3.46Å; L660-T664 PolarHBondContact O-N 3.41Å; L660-T664 VanDerWaalsContact O-N 3.14Å; L660-T664 PolarHBondContact O-OG1 3.41Å
661	S	60.5	Low	60	Low	55 Å²	55	96.2 Å²	96.2	39%	0.385	56%	0.558	S	S	.	*	H	α-helix	trans	-68.9	-35.4	176.4	76	0	0	0	0	113.2	S657 L658 I659 T664 S665	S657-S661 PolarHBondContact O-N 2.8Å; L658-S661 PolarHBondContact O-N 3.03Å; L658-S661 VanDerWaalsContact O-N 3.12Å; L658-S661 PolarHBondContact O-OG 3.48Å; I659-S661 VanDerWaalsContact C-N 3.34Å; I659-S661 PolarHBondContact O-N 2.78Å; S661-T664 PolarHBondContact O-OG1 3.06Å; S661-S665 VanDerWaalsContact O-CB 3.28Å; S661-S665 WeakPolarHBondContact O-CB 3.22Å; S661-S665 PolarHBondContact O-N 3.41Å; S661-S665 PolarHBondContact O-OG 3.19Å
662	V	66.4	Low	61.7	Low	82 Å²	82	92.5 Å²	92.5	50%	0.497	55%	0.547	S	S	.	.	H	α-helix	trans	-70.9	-44.4	176.9	171	0	0	0	0	111	L658 I659 T664 S665 A666	L658-V662 WeakPolarHBondContact O-CG2 3.22Å; L658-V662 PolarHBondContact O-N 3.19Å; I659-V662 PolarHBondContact O-N 2.81Å; V662-T664 PolarHBondContact O-N 2.92Å; V662-S665 WeakPolarHBondContact CA-OG 3.47Å; V662-S665 PolarHBondContact O-N 3.31Å; V662-S665 PolarHBondContact O-OG 2.88Å; V662-A666 WeakPolarHBondContact O-CB 3.32Å; V662-A666 PolarHBondContact O-N 2.85Å
663	V	71.4	Confident	63.3	Low	85 Å²	85	93.2 Å²	93.2	52%	0.515	54%	0.544	S	S	.	.	H	α-helix	trans	-64.5	-41.4	178.4	172.8	0	0	0	0	111.6	I659 L667	I659-V663 WeakPolarHBondContact O-CG2 3.22Å; I659-V663 PolarHBondContact O-N 2.91Å; V663-L667 HydrophobicContact CG1-CD1 4.46Å; V663-L667 PolarHBondContact O-N 3.33Å; V663-L667 VanDerWaalsContact O-N 3.12Å
664	T	66.1	Low	64.7	Low	83 Å²	83	87.3 Å²	87.3	51%	0.509	53%	0.527	S	S	.	.	H	α-helix	trans	-70	-42	177.7	48.3	0	0	0	0	112.6	L660 S661 V662 L667 V668	L660-T664 WeakPolarHBondContact O-CG2 3.46Å; L660-T664 PolarHBondContact O-N 3.41Å; L660-T664 VanDerWaalsContact O-N 3.14Å; L660-T664 PolarHBondContact O-OG1 3.41Å; S661-T664 PolarHBondContact O-OG1 3.06Å; V662-T664 PolarHBondContact O-N 2.92Å; T664-L667 PolarHBondContact O-N 3.19Å; T664-V668 WeakPolarHBondContact O-CG2 3.41Å; T664-V668 PolarHBondContact O-N 3.39Å
665	S	66.2	Low	66	Low	67 Å²	67	89 Å²	89	47%	0.469	53%	0.529	S	S	.	.	H	α-helix	trans	-69.7	-31.5	175.3	57.4	0	0	0	0	113.1	S661 V662 V668 A669	S661-S665 VanDerWaalsContact O-CB 3.28Å; S661-S665 WeakPolarHBondContact O-CB 3.22Å; S661-S665 PolarHBondContact O-N 3.41Å; S661-S665 PolarHBondContact O-OG 3.19Å; V662-S665 WeakPolarHBondContact CA-OG 3.47Å; V662-S665 PolarHBondContact O-N 3.31Å; V662-S665 PolarHBondContact O-OG 2.88Å; S665-V668 PolarHBondContact O-N 2.8Å; S665-A669 VanDerWaalsContact O-CB 3.23Å; S665-A669 WeakPolarHBondContact O-CB 3.46Å; S665-A669 PolarHBondContact O-N 3.04Å
666	A	67.9	Low	66.4	Low	54 Å²	54	87.1 Å²	87.1	45%	0.446	52%	0.518	S	S	.	.	H	α-helix	trans	-65.7	-40.4	172.5	0	0	0	0	0	112.3	V662 A669 A670	V662-A666 WeakPolarHBondContact O-CB 3.32Å; V662-A666 PolarHBondContact O-N 2.85Å; A666-A669 PolarHBondContact O-N 2.87Å; A666-A670 WeakPolarHBondContact O-CB 3.35Å; A666-A670 PolarHBondContact O-N 3.26Å
667	L	72.6	Confident	67.4	Low	112 Å²	112	82.1 Å²	82.1	59%	0.586	50%	0.5	S	S	*	.	H	α-helix	trans	-64	-42.9	172.9	-85.3	163.3	0	0	0	112.2	V663 T664 A670 L671	V663-L667 HydrophobicContact CG1-CD1 4.46Å; V663-L667 PolarHBondContact O-N 3.33Å; V663-L667 VanDerWaalsContact O-N 3.12Å; T664-L667 PolarHBondContact O-N 3.19Å; L667-A670 PolarHBondContact O-N 2.63Å; L667-L671 WeakPolarHBondContact O-CG 3.28Å; L667-L671 PolarHBondContact O-N 2.91Å; L667-L671 VanDerWaalsContact O-N 3.11Å
668	V	76.4	Confident	68.1	Low	90 Å²	90	83.8 Å²	83.8	55%	0.545	50%	0.501	S	S	.	.	H	α-helix	trans	-64.1	-43.3	173.7	173	0	0	0	0	111	T664 S665 A670 L671 V672	T664-V668 WeakPolarHBondContact O-CG2 3.41Å; T664-V668 PolarHBondContact O-N 3.39Å; S665-V668 PolarHBondContact O-N 2.8Å; V668-A670 PolarHBondContact O-N 3.43Å; V668-L671 PolarHBondContact O-N 2.98Å; V668-V672 HydrophobicContact CG1-CG2 4.22Å; V668-V672 WeakPolarHBondContact O-CB 3.06Å; V668-V672 VanDerWaalsContact O-CG2 3.28Å; V668-V672 WeakPolarHBondContact O-CG2 3.27Å; V668-V672 PolarHBondContact O-N 2.88Å
669	A	69	Low	68.3	Low	46 Å²	46	83.9 Å²	83.9	38%	0.38	50%	0.5	S	S	.	.	H	α-helix	trans	-63.2	-40.3	177.5	0	0	0	0	0	112.1	S665 A666 V672 L673	S665-A669 VanDerWaalsContact O-CB 3.23Å; S665-A669 WeakPolarHBondContact O-CB 3.46Å; S665-A669 PolarHBondContact O-N 3.04Å; A666-A669 PolarHBondContact O-N 2.87Å; A669-V672 PolarHBondContact O-N 3.15Å; A669-L673 VanDerWaalsContact O-CB 3.27Å; A669-L673 WeakPolarHBondContact O-CB 3.27Å; A669-L673 VanDerWaalsContact O-CG 3.22Å; A669-L673 WeakPolarHBondContact O-CG 3.15Å; A669-L673 PolarHBondContact O-N 3.15Å
670	A	72.4	Confident	68.4	Low	57 Å²	57	83.5 Å²	83.5	47%	0.471	50%	0.498	S	S	.	.	H	α-helix	trans	-63.2	-42.4	175	0	0	0	0	0	112.2	A666 L667 V668 L673 A674	A666-A670 WeakPolarHBondContact O-CB 3.35Å; A666-A670 PolarHBondContact O-N 3.26Å; L667-A670 PolarHBondContact O-N 2.63Å; V668-A670 PolarHBondContact O-N 3.43Å; A670-L673 PolarHBondContact O-N 3.32Å; A670-A674 WeakPolarHBondContact O-CB 3.26Å; A670-A674 PolarHBondContact O-N 3.23Å
671	L	74.3	Confident	68.9	Low	116 Å²	116	82.8 Å²	82.8	61%	0.607	50%	0.499	S	S	*	.	H	α-helix	trans	-66.7	-41	175	-71.2	169.3	0	0	0	112.1	L667 V668 A674 F675	L667-L671 WeakPolarHBondContact O-CG 3.28Å; L667-L671 PolarHBondContact O-N 2.91Å; L667-L671 VanDerWaalsContact O-N 3.11Å; V668-L671 PolarHBondContact O-N 2.98Å; L671-A674 PolarHBondContact O-N 3.13Å; L671-F675 PolarHBondContact O-N 3.46Å
672	V	72.4	Confident	69	Low	87 Å²	87	88 Å²	88	53%	0.527	51%	0.511	S	S	.	.	H	α-helix	trans	-65.1	-39.7	174.6	168.6	0	0	0	0	111.1	V668 A669 F675 S676	V668-V672 HydrophobicContact CG1-CG2 4.22Å; V668-V672 WeakPolarHBondContact O-CB 3.06Å; V668-V672 VanDerWaalsContact O-CG2 3.28Å; V668-V672 WeakPolarHBondContact O-CG2 3.27Å; V668-V672 PolarHBondContact O-N 2.88Å; A669-V672 PolarHBondContact O-N 3.15Å; V672-F675 PolarHBondContact O-N 2.81Å; V672-S676 WeakPolarHBondContact O-CA 3.48Å; V672-S676 WeakPolarHBondContact O-CB 3.4Å; V672-S676 PolarHBondContact O-N 3.4Å; V672-S676 PolarHBondContact O-OG 3.31Å
673	L	72.4	Confident	68.5	Low	121 Å²	121	91.4 Å²	91.4	63%	0.634	52%	0.515	S	S	*	.	H	α-helix	trans	-70.1	-34.4	177	-75.1	169.3	0	0	0	112.6	A669 A670 S676 G677	A669-L673 VanDerWaalsContact O-CB 3.27Å; A669-L673 WeakPolarHBondContact O-CB 3.27Å; A669-L673 VanDerWaalsContact O-CG 3.22Å; A669-L673 WeakPolarHBondContact O-CG 3.15Å; A669-L673 PolarHBondContact O-N 3.15Å; A670-L673 PolarHBondContact O-N 3.32Å; L673-S676 WeakPolarHBondContact CA-OG 3.31Å; L673-S676 PolarHBondContact O-OG 3.15Å; L673-G677 PolarHBondContact O-N 3.04Å
674	A	72.2	Confident	67.8	Low	55 Å²	55	95.6 Å²	95.6	46%	0.455	52%	0.521	S	S	.	.	H	α-helix	trans	-65.8	-49	171.2	0	0	0	0	0	111.2	A670 L671 G677 I678	A670-A674 WeakPolarHBondContact O-CB 3.26Å; A670-A674 PolarHBondContact O-N 3.23Å; L671-A674 PolarHBondContact O-N 3.13Å; A674-G677 PolarHBondContact O-N 2.95Å; A674-I678 WeakPolarHBondContact O-CG1 3.4Å; A674-I678 PolarHBondContact O-N 2.81Å
675	F	72.6	Confident	67.3	Low	151 Å²	151	99.7 Å²	99.7	66%	0.662	53%	0.532	S	S	*	.	H	α-helix	trans	-64.6	-38.6	175.7	-99.1	-87.2	0	0	0	112.6	L671 V672 I678 M679	L671-F675 PolarHBondContact O-N 3.46Å; V672-F675 PolarHBondContact O-N 2.81Å; F675-I678 PolarHBondContact O-N 3.02Å; F675-M679 VanDerWaalsContact O-CB 3.27Å; F675-M679 WeakPolarHBondContact O-CB 3.42Å; F675-M679 WeakPolarHBondContact O-CG 3.49Å; F675-M679 PolarHBondContact O-N 2.77Å
676	S	62.1	Low	66.6	Low	39 Å²	39	101.2 Å²	101.2	27%	0.273	53%	0.532	S	S	.	.	H	α-helix	trans	-70.9	-35.8	176.6	76.8	0	0	0	0	111.2	V672 L673 M679 I680	V672-S676 WeakPolarHBondContact O-CA 3.48Å; V672-S676 WeakPolarHBondContact O-CB 3.4Å; V672-S676 PolarHBondContact O-N 3.4Å; V672-S676 PolarHBondContact O-OG 3.31Å; L673-S676 WeakPolarHBondContact CA-OG 3.31Å; L673-S676 PolarHBondContact O-OG 3.15Å; S676-M679 CarbonylContact O-C 3.54Å; S676-M679 PolarHBondContact O-N 3.22Å; S676-I680 WeakPolarHBondContact O-CA 3.41Å; S676-I680 WeakPolarHBondContact O-CB 3.46Å; S676-I680 WeakPolarHBondContact O-CD1 3.26Å; S676-I680 WeakPolarHBondContact O-CG1 3.41Å; S676-I680 PolarHBondContact O-N 3.01Å
677	G	72.1	Confident	65.8	Low	33 Å²	33	103.9 Å²	103.9	34%	0.34	54%	0.535	S	S	.	.	H	α-helix	trans	-59.6	-49.4	172.1	0	0	0	0	0	111.9	L673 A674 I680 V681	L673-G677 PolarHBondContact O-N 3.04Å; A674-G677 PolarHBondContact O-N 2.95Å; G677-I680 PolarHBondContact O-N 3.06Å; G677-V681 WeakPolarHBondContact O-CG2 3.49Å; G677-V681 PolarHBondContact O-N 3.32Å
678	I	70.4	Confident	65	Low	122 Å²	122	105.5 Å²	105.5	63%	0.626	54%	0.539	S	S	*	.	H	α-helix	trans	-61.3	-45.6	175.1	-65.6	165.6	0	0	0	110.7	A674 F675 I680 V681 Y682	A674-I678 WeakPolarHBondContact O-CG1 3.4Å; A674-I678 PolarHBondContact O-N 2.81Å; F675-I678 PolarHBondContact O-N 3.02Å; I678-I680 VanDerWaalsContact C-N 3.35Å; I678-I680 PolarHBondContact O-N 2.66Å; I678-V681 PolarHBondContact O-N 3.03Å; I678-Y682 WeakPolarHBondContact O-CB 3.27Å; I678-Y682 PolarHBondContact O-N 3.04Å
679	M	59.3	Low	63.7	Low	78 Å²	78	107.7 Å²	107.7	38%	0.384	55%	0.547	S	S	.	.	H	α-helix	trans	-66.4	-30.6	176.3	-86.5	-95.5	68.4	0	0	113.6	F675 S676 Y682 R683	F675-M679 VanDerWaalsContact O-CB 3.27Å; F675-M679 WeakPolarHBondContact O-CB 3.42Å; F675-M679 WeakPolarHBondContact O-CG 3.49Å; F675-M679 PolarHBondContact O-N 2.77Å; S676-M679 CarbonylContact O-C 3.54Å; S676-M679 PolarHBondContact O-N 3.22Å; M679-Y682 HydrophobicContact CE-CD1 3.61Å; M679-Y682 HydrophobicContact CE-CE1 4.43Å; M679-Y682 HydrophobicContact CE-CG 4.11Å; M679-R683 HydrophobicContact CE-CG 4.31Å; M679-R683 WeakPolarHBondContact O-CB 3.35Å; M679-R683 WeakPolarHBondContact O-CG 3.43Å; M679-R683 PolarHBondContact O-N 2.86Å
680	I	64	Low	62.7	Low	97 Å²	97	111 Å²	111	50%	0.497	56%	0.555	S	S	.	*	H	α-helix	trans	-75.3	-40.2	177.3	-75.7	162.6	0	0	0	109.9	S676 G677 I678 Y682 R683 R684	S676-I680 WeakPolarHBondContact O-CA 3.41Å; S676-I680 WeakPolarHBondContact O-CB 3.46Å; S676-I680 WeakPolarHBondContact O-CD1 3.26Å; S676-I680 WeakPolarHBondContact O-CG1 3.41Å; S676-I680 PolarHBondContact O-N 3.01Å; G677-I680 PolarHBondContact O-N 3.06Å; I678-I680 VanDerWaalsContact C-N 3.35Å; I678-I680 PolarHBondContact O-N 2.66Å; I680-Y682 VanDerWaalsContact C-N 3.33Å; I680-R683 PolarHBondContact O-N 2.79Å; I680-R684 WeakPolarHBondContact O-CB 3.48Å; I680-R684 PolarHBondContact O-N 3.16Å
681	V	67.1	Low	61.4	Low	109 Å²	109	112 Å²	112	66%	0.661	56%	0.564	S	S	*	*	H	α-helix	trans	-62.6	-42.9	171.8	173.9	0	0	0	0	110.7	G677 I678 K685	G677-V681 WeakPolarHBondContact O-CG2 3.49Å; G677-V681 PolarHBondContact O-N 3.32Å; I678-V681 PolarHBondContact O-N 3.03Å; V681-K685 PolarHBondContact O-N 3.48Å
682	Y	61	Low	60.1	Low	165 Å²	165	115.1 Å²	115.1	65%	0.647	58%	0.577	S	S	*	*	H	α-helix	trans	-65.6	-46.6	176.2	-169.3	-91.8	0	0	0	112.5	I678 M679 I680 H686	I678-Y682 WeakPolarHBondContact O-CB 3.27Å; I678-Y682 PolarHBondContact O-N 3.04Å; M679-Y682 HydrophobicContact CE-CD1 3.61Å; M679-Y682 HydrophobicContact CE-CE1 4.43Å; M679-Y682 HydrophobicContact CE-CG 4.11Å; I680-Y682 VanDerWaalsContact C-N 3.33Å; Y682-H686 PolarHBondContact O-N 2.89Å
683	R	56.5	Low	58.8	Low	152 Å²	152	119.2 Å²	119.2	57%	0.574	59%	0.59	S	S	*	*	H	α-helix	trans	-68.7	-43.8	179.1	-78.4	179.8	176.3	-138.9	-0.7	112.4	M679 I680 K685 H686 Q687	M679-R683 HydrophobicContact CE-CG 4.31Å; M679-R683 WeakPolarHBondContact O-CB 3.35Å; M679-R683 WeakPolarHBondContact O-CG 3.43Å; M679-R683 PolarHBondContact O-N 2.86Å; I680-R683 PolarHBondContact O-N 2.79Å; R683-K685 VanDerWaalsContact C-N 3.28Å; R683-K685 PolarHBondContact O-N 3.32Å; R683-H686 CarbonylContact O-C 3.44Å; R683-H686 WeakPolarHBondContact O-CA 3.27Å; R683-H686 PolarHBondContact O-N 2.99Å; R683-Q687 WeakPolarHBondContact O-CB 3.15Å; R683-Q687 VanDerWaalsContact O-CG 3.29Å; R683-Q687 WeakPolarHBondContact O-CG 3.42Å; R683-Q687 PolarHBondContact O-N 2.86Å
684	R	57.5	Low	57.3	Low	173 Å²	173	121.9 Å²	121.9	65%	0.653	60%	0.602	S	S	*	*	H	α-helix	trans	-58.2	-42.3	179.6	-170.2	171.9	-176.7	168.7	1.8	111.2	I680 H686 Q687 E688	I680-R684 WeakPolarHBondContact O-CB 3.48Å; I680-R684 PolarHBondContact O-N 3.16Å; R684-H686 VanDerWaalsContact C-N 3.26Å; R684-H686 PolarHBondContact O-N 2.94Å; R684-Q687 PolarHBondContact O-N 2.92Å; R684-E688 PolarHBondContact O-N 2.86Å
685	K	55	Low	56.2	Low	169 Å²	169	128.1 Å²	128.1	74%	0.735	62%	0.621	S	S	*	*	H	α-helix	trans	-68.7	-17.7	173.9	-166.1	170.1	-176.3	176.2	0	114.4	V681 R683	V681-K685 PolarHBondContact O-N 3.48Å; R683-K685 VanDerWaalsContact C-N 3.28Å; R683-K685 PolarHBondContact O-N 3.32Å
686	H	51.5	Low	54.9	Low	99 Å²	99	128.4 Å²	128.4	46%	0.458	63%	0.629	S	S	.	*	H	α-helix	trans	-99.4	-28.2	176.7	-160.7	33.9	0	0	0	112.9	Y682 R683 R684 L689	Y682-H686 PolarHBondContact O-N 2.89Å; R683-H686 CarbonylContact O-C 3.44Å; R683-H686 WeakPolarHBondContact O-CA 3.27Å; R683-H686 PolarHBondContact O-N 2.99Å; R684-H686 VanDerWaalsContact C-N 3.26Å; R684-H686 PolarHBondContact O-N 2.94Å; H686-L689 WeakPolarHBondContact O-CB 3.35Å; H686-L689 PolarHBondContact O-N 2.99Å
687	Q	51	Low	54	Low	111 Å²	111	135.5 Å²	135.5	52%	0.519	66%	0.658	S	S	.	*	H	α-helix	trans	-74.6	-32.5	179.3	-75.2	175.3	-75.5	0	0	112.2	R683 R684 L689 Q690 A691	R683-Q687 WeakPolarHBondContact O-CB 3.15Å; R683-Q687 VanDerWaalsContact O-CG 3.29Å; R683-Q687 WeakPolarHBondContact O-CG 3.42Å; R683-Q687 PolarHBondContact O-N 2.86Å; R684-Q687 PolarHBondContact O-N 2.92Å; Q687-L689 PolarHBondContact O-N 3.21Å; Q687-Q690 PolarHBondContact O-N 2.72Å; Q687-A691 WeakPolarHBondContact O-CB 3.25Å; Q687-A691 PolarHBondContact O-N 2.76Å
688	E	55.7	Low	52.5	Low	145 Å²	145	137.9 Å²	137.9	68%	0.678	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.4	-25.3	169.8	-73.1	174.8	-177.3	0	0	112.4	R684	R684-E688 PolarHBondContact O-N 2.86Å
689	L	49.3	Very low	51.2	Low	136 Å²	136	137.1 Å²	137.1	71%	0.712	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-5.5	174	-79.6	161.1	0	0	0	114.4	H686 Q687	H686-L689 WeakPolarHBondContact O-CB 3.35Å; H686-L689 PolarHBondContact O-N 2.99Å; Q687-L689 PolarHBondContact O-N 3.21Å
690	Q	47.7	Very low	50.3	Low	116 Å²	116	140.1 Å²	140.1	54%	0.542	69%	0.686	S	S	.	*	T	Hydrogen-bonded Turn	trans	-121.5	-20.9	-179.6	-69.5	-173.4	-25.9	0	0	113.9	Q687 M692 Q693	Q687-Q690 PolarHBondContact O-N 2.72Å; Q690-M692 PolarHBondContact O-N 2.66Å; Q690-M692 VanDerWaalsContact O-N 3.1Å; Q690-Q693 PolarHBondContact O-N 2.98Å; Q690-Q693 VanDerWaalsContact O-N 3.11Å
691	A	45.6	Very low	49.3	Very low	79 Å²	79	144.8 Å²	144.8	65%	0.653	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-20.2	179.7	0	0	0	0	0	113.9	Q687 Q693	Q687-A691 WeakPolarHBondContact O-CB 3.25Å; Q687-A691 PolarHBondContact O-N 2.76Å; A691-Q693 PolarHBondContact O-N 3.42Å
692	M	46.8	Very low	47.7	Very low	181 Å²	181	147.8 Å²	147.8	89%	0.892	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	-7.2	174.3	-100	-84.1	174.8	0	0	115	Q690	Q690-M692 PolarHBondContact O-N 2.66Å; Q690-M692 VanDerWaalsContact O-N 3.1Å
693	Q	44.5	Very low	46.7	Very low	172 Å²	172	145.1 Å²	145.1	80%	0.804	70%	0.699	S	S	*	*	S	Bend	trans	-134.8	6.7	-160.8	-146	167.9	4.7	0	0	117.1	Q690 A691	Q690-Q693 PolarHBondContact O-N 2.98Å; Q690-Q693 VanDerWaalsContact O-N 3.11Å; A691-Q693 PolarHBondContact O-N 3.42Å
694	M	42.3	Very low	46	Very low	177 Å²	177	141.1 Å²	141.1	87%	0.872	69%	0.694	S	S	*	*			trans	-135.9	29.3	178.3	-75.2	-164.9	168.3	0	0	115.1	L696	M694-L696 PolarHBondContact O-N 3.49Å
695	E	49.2	Very low	45.1	Very low	186 Å²	186	139.5 Å²	139.5	87%	0.869	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	32.7	-176.2	-153.7	-169.9	167.8	0	0	115.1
696	L	43.9	Very low	44.3	Very low	158 Å²	158	136.6 Å²	136.6	83%	0.827	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.2	-24.7	-164.6	-111.8	146.8	0	0	0	119.4	M694	M694-L696 PolarHBondContact O-N 3.49Å
697	Q	44.2	Very low	43.7	Very low	188 Å²	188	141 Å²	141	88%	0.879	70%	0.696	S	S	*	*			trans	-147.9	105.7	-177.6	-66.5	-171.3	-6.7	0	0	114.5
698	S	39.2	Very low	43.2	Very low	82 Å²	82	138.7 Å²	138.7	57%	0.573	69%	0.69	S	S	*	*			trans	-152.9	141.8	155.1	177.9	0	0	0	0	111.1
699	P	43.5	Very low	42.4	Very low	107 Å²	107	134.5 Å²	134.5	70%	0.695	68%	0.677	S	S	*	*	S	Bend	trans	-79.6	-18.6	-175.5	-13.4	30.6	0	0	0	115.3	Y701 K702	P699-Y701 VanDerWaalsContact C-N 3.28Å; P699-Y701 PolarHBondContact O-N 2.83Å; P699-K702 PolarHBondContact O-N 2.84Å; P699-K702 VanDerWaalsContact O-N 3.12Å
700	E	40.2	Very low	41.9	Very low	141 Å²	141	131.6 Å²	131.6	66%	0.659	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-20.8	-159.8	-63.4	174.1	128.7	0	0	114.2	K702 L703 S704	E700-K702 PolarHBondContact O-N 3.39Å; E700-K702 VanDerWaalsContact O-N 3.13Å; E700-L703 WeakPolarHBondContact O-CB 3.31Å; E700-L703 PolarHBondContact O-N 3.13Å; E700-S704 PolarHBondContact O-N 3.49Å
701	Y	43.7	Very low	41.6	Very low	195 Å²	195	132 Å²	132	77%	0.765	67%	0.669	S	S	*	*	H	α-helix	trans	-59.9	-20.3	172.6	-174.7	-107.9	0	0	0	113.4	P699 S704	P699-Y701 VanDerWaalsContact C-N 3.28Å; P699-Y701 PolarHBondContact O-N 2.83Å; Y701-S704 PolarHBondContact O-OG 3.45Å
702	K	34.1	Very low	41.2	Very low	172 Å²	172	130.1 Å²	130.1	75%	0.748	65%	0.647	S	S	*	*	H	α-helix	trans	-80.4	-17.7	171.9	-67.6	-174.1	177.4	-179.6	0	113.6	P699 E700	P699-K702 PolarHBondContact O-N 2.84Å; P699-K702 VanDerWaalsContact O-N 3.12Å; E700-K702 PolarHBondContact O-N 3.39Å; E700-K702 VanDerWaalsContact O-N 3.13Å
703	L	39.2	Very low	41	Very low	109 Å²	109	126.1 Å²	126.1	57%	0.571	63%	0.633	S	S	*	*	H	α-helix	trans	-96.1	-32.4	-173.9	-111.4	166.8	0	0	0	113.1	E700 K705 L706	E700-L703 WeakPolarHBondContact O-CB 3.31Å; E700-L703 PolarHBondContact O-N 3.13Å; L703-K705 VanDerWaalsContact C-N 3.29Å; L703-K705 PolarHBondContact O-N 2.82Å; L703-L706 HydrophobicContact CD2-CD1 4.42Å; L703-L706 PolarHBondContact O-N 2.96Å
704	S	41.5	Very low	40.7	Very low	67 Å²	67	124 Å²	124	47%	0.469	63%	0.627	S	S	.	*	H	α-helix	trans	-57.6	-45	169.1	52.6	0	0	0	0	111.1	E700 Y701 L706 R707	E700-S704 PolarHBondContact O-N 3.49Å; Y701-S704 PolarHBondContact O-OG 3.45Å; S704-L706 PolarHBondContact O-N 3.13Å; S704-L706 VanDerWaalsContact O-N 3.09Å; S704-R707 PolarHBondContact O-N 3.29Å
705	K	39.2	Very low	40.8	Very low	140 Å²	140	124.7 Å²	124.7	61%	0.609	62%	0.622	S	S	*	*	H	α-helix	trans	-63	-14.3	179	-159.8	167.8	-174	172.6	0	114.6	L703	L703-K705 VanDerWaalsContact C-N 3.29Å; L703-K705 PolarHBondContact O-N 2.82Å
706	L	38.1	Very low	40.4	Very low	108 Å²	108	118.7 Å²	118.7	57%	0.565	60%	0.595	S	S	*	*	H	α-helix	trans	-90.3	-24.6	173.9	-77.7	164.6	0	0	0	113.5	L703 S704 S709 T710	L703-L706 HydrophobicContact CD2-CD1 4.42Å; L703-L706 PolarHBondContact O-N 2.96Å; S704-L706 PolarHBondContact O-N 3.13Å; S704-L706 VanDerWaalsContact O-N 3.09Å; L706-S709 PolarHBondContact O-OG 3.47Å; L706-T710 PolarHBondContact O-OG1 2.99Å; L706-T710 VanDerWaalsContact O-OG1 3.07Å
707	R	38.7	Very low	40.9	Very low	190 Å²	190	112.8 Å²	112.8	72%	0.717	57%	0.567	S	S	*	*	H	α-helix	trans	-79.3	-35.3	179.6	-78.3	-174.8	173.4	147.3	-0.1	113.2	S704 S709 T710	S704-R707 PolarHBondContact O-N 3.29Å; R707-S709 PolarHBondContact O-N 2.85Å; R707-T710 WeakPolarHBondContact O-CB 3.22Å; R707-T710 PolarHBondContact O-N 2.91Å
708	T	40.5	Very low	41.6	Very low	63 Å²	63	108.3 Å²	108.3	39%	0.387	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-32	175.7	-46	0	0	0	0	111.9	T710 L813	T708-T710 VanDerWaalsContact C-N 3.32Å; T708-T710 PolarHBondContact O-N 3.32Å; T708-L813 HydrophobicContact CG2-CD1 4.35Å
709	S	39.1	Very low	42.4	Very low	58 Å²	58	105 Å²	105	41%	0.406	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-11.2	172.8	38.9	0	0	0	0	115.1	L706 R707	L706-S709 PolarHBondContact O-OG 3.47Å; R707-S709 PolarHBondContact O-N 2.85Å
710	T	38.4	Very low	43.1	Very low	75 Å²	75	103 Å²	103	46%	0.46	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-33.6	-179.1	-42.9	0	0	0	0	112.6	L706 R707 T708 M712 T713	L706-T710 PolarHBondContact O-OG1 2.99Å; L706-T710 VanDerWaalsContact O-OG1 3.07Å; R707-T710 WeakPolarHBondContact O-CB 3.22Å; R707-T710 PolarHBondContact O-N 2.91Å; T708-T710 VanDerWaalsContact C-N 3.32Å; T708-T710 PolarHBondContact O-N 3.32Å; T710-M712 PolarHBondContact O-N 3.08Å; T710-M712 VanDerWaalsContact O-N 3.15Å; T710-T713 PolarHBondContact O-N 2.86Å; T710-T713 VanDerWaalsContact O-N 3.14Å; T710-T713 PolarHBondContact O-OG1 2.82Å
711	I	41.3	Very low	44	Very low	123 Å²	123	97 Å²	97	63%	0.631	48%	0.483	S	S	*	.	H	α-helix	trans	-62.5	-27.6	-178.5	-62.4	174.4	0	0	0	111.4	T713	I711-T713 VanDerWaalsContact C-N 3.34Å; I711-T713 PolarHBondContact O-N 2.73Å
712	M	38.4	Very low	44.7	Very low	40 Å²	40	90.7 Å²	90.7	20%	0.197	47%	0.472	C	S	.	.	H	α-helix	trans	-81.2	-1.7	-179.4	-59.9	-177.5	64.2	0	0	114.7	T710 I728 L810	T710-M712 PolarHBondContact O-N 3.08Å; T710-M712 VanDerWaalsContact O-N 3.15Å; M712-I728 HydrophobicContact CE-CD1 3.48Å; M712-I728 VanDerWaalsContact CE-CD1 3.48Å; M712-L810 HydrophobicContact CE-CB 4.18Å; M712-L810 HydrophobicContact CE-CD1 4.46Å
713	T	42.5	Very low	45.9	Very low	97 Å²	97	86.6 Å²	86.6	60%	0.595	48%	0.479	S	S	*	.	H	α-helix	trans	-89.1	-24.3	172.4	53.2	0	0	0	0	113.6	T710 I711	T710-T713 PolarHBondContact O-N 2.86Å; T710-T713 VanDerWaalsContact O-N 3.14Å; T710-T713 PolarHBondContact O-OG1 2.82Å; I711-T713 VanDerWaalsContact C-N 3.34Å; I711-T713 PolarHBondContact O-N 2.73Å
714	D	37.8	Very low	47.2	Very low	128 Å²	128	88.8 Å²	88.8	68%	0.684	48%	0.483	S	S	*	.	H	α-helix	trans	-91.5	-25.9	-168.2	-61.8	4	0	0	0	111.7
715	Y	43.3	Very low	48.6	Very low	191 Å²	191	89.7 Å²	89.7	75%	0.749	49%	0.486	S	S	*	.			trans	-113.3	89	168.9	-79.9	-88.6	0	0	0	110.9	P717	Y715-P717 WeakPolarHBondContact O-CD 3.45Å
716	N	40.6	Very low	50.1	Low	60 Å²	60	83.4 Å²	83.4	32%	0.321	46%	0.46	S	S	.	.			trans	-98.2	99.2	169.1	170.3	50.2	0	0	0	110.4	N718 S727 I728	N716-N718 PolarHBondContact ND2-OD1 3.2Å; N716-N718 PolarHBondContact O-N 2.95Å; N716-S727 WeakPolarHBondContact OD1-CA 3.41Å; N716-S727 WeakPolarHBondContact OD1-CB 3.43Å; N716-I728 PolarHBondContact OD1-N 3.47Å
717	P	55.3	Low	51.9	Low	35 Å²	35	79.1 Å²	79.1	23%	0.227	44%	0.439	C	S	.	.			trans	-71.4	97	175.1	29.4	-34	0	0	0	110.3	Y715 Y719 L788 M789 L792	Y715-P717 WeakPolarHBondContact O-CD 3.45Å; P717-Y719 PolarHBondContact O-N 2.78Å; P717-L788 HydrophobicContact CG-CD2 3.69Å; P717-L788 HydrophobicContact CG-CG 4.35Å; P717-M789 HydrophobicContact CB-SD 4.31Å; P717-L792 HydrophobicContact CG-CD1 4.3Å
718	N	59.3	Low	53.7	Low	93 Å²	93	71.8 Å²	71.8	50%	0.497	41%	0.413	S	S	.	.			trans	-60.6	107.6	172.5	-80.2	-23.4	0	0	0	110.6	N716 T725	N716-N718 PolarHBondContact ND2-OD1 3.2Å; N716-N718 PolarHBondContact O-N 2.95Å; N718-T725 HydrophobicContact CB-CG2 3.72Å
719	Y	56.3	Low	55.4	Low	13 Å²	13	73.8 Å²	73.8	5%	0.051	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	116.7	174.9	175	-121.8	0	0	0	109.8	P717 F721 T725 S726 M789 L792 I793 K796 F868	P717-Y719 PolarHBondContact O-N 2.78Å; Y719-F721 HydrophobicContact CD1-CB 4.45Å; Y719-F721 HydrophobicContact CE1-CB 3.73Å; Y719-F721 HydrophobicContact CE1-CG 4.45Å; Y719-T725 CarbonylContact O-C 3.56Å; Y719-S726 PolarHBondContact N-O 3.06Å; Y719-S726 WeakPolarHBondContact O-CB 3.34Å; Y719-S726 PolarHBondContact O-N 3.48Å; Y719-M789 HydrophobicContact CD2-CE 3.71Å; Y719-M789 HydrophobicContact CE2-CE 4.35Å; Y719-M789 HydrophobicContact CG-CE 4.08Å; Y719-L792 HydrophobicContact CD1-CB 4.1Å; Y719-L792 HydrophobicContact CG-CB 4.36Å; Y719-I793 HydrophobicContact CE1-CG1 4.08Å; Y719-I793 HydrophobicContact CE2-CG1 4.01Å; Y719-K796 HydrophobicContact CD1-CG 4.29Å; Y719-K796 HydrophobicContact CE1-CG 4.03Å; Y719-F868 VanDerWaalsContact OH-CE2 3.28Å; Y719-F868 WeakPolarHBondContact OH-CE2 3.48Å
720	C	58.2	Low	57.5	Low	64 Å²	64	75.4 Å²	75.4	43%	0.432	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	136.4	172.1	-62.2	0	0	0	0	109.7
721	F	58.6	Low	59.9	Low	15 Å²	15	72.6 Å²	72.6	7%	0.066	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	136.4	171.7	175.7	-106.3	0	0	0	109.7	Y719 G723 K724 K796 F797 N866 F868	Y719-F721 HydrophobicContact CD1-CB 4.45Å; Y719-F721 HydrophobicContact CE1-CB 3.73Å; Y719-F721 HydrophobicContact CE1-CG 4.45Å; F721-G723 PolarHBondContact O-N 2.94Å; F721-G723 VanDerWaalsContact O-N 3.12Å; F721-K724 PolarHBondContact N-O 3.17Å; F721-K724 PolarHBondContact O-N 2.81Å; F721-K796 HydrophobicContact CB-CB 4.5Å; F721-K796 HydrophobicContact CD1-CB 3.64Å; F721-K796 HydrophobicContact CD1-CG 4.46Å; F721-K796 HydrophobicContact CE1-CB 4.15Å; F721-K796 HydrophobicContact CG-CB 4.23Å; F721-F797 HydrophobicContact CD2-CE1 4.42Å; F721-F797 HydrophobicContact CE1-CD1 4.29Å; F721-F797 HydrophobicContact CE1-CE1 4.37Å; F721-F797 HydrophobicContact CE2-CD1 4.3Å; F721-F797 AromaticContact CE2-CE1 3.62Å; F721-F797 HydrophobicContact CE2-CE1 3.62Å; F721-F797 AromaticContact CZ-CD1 3.78Å; F721-F797 HydrophobicContact CZ-CD1 3.78Å; F721-F797 AromaticContact CZ-CE1 3.57Å; F721-F797 HydrophobicContact CZ-CE1 3.57Å; F721-N866 HydrophobicContact CE2-CB 3.91Å; F721-N866 HydrophobicContact CZ-CB 3.59Å; F721-F868 HydrophobicContact CD2-CD2 4.44Å; F721-F868 HydrophobicContact CE2-CB 4.27Å; F721-F868 HydrophobicContact CE2-CD2 4.41Å
722	A	58.8	Low	62.2	Low	64 Å²	64	71.8 Å²	71.8	53%	0.529	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.3	42	-176.9	0	0	0	0	0	113.6	K724	A722-K724 VanDerWaalsContact C-N 3.28Å; A722-K724 PolarHBondContact O-N 2.91Å
723	G	58.8	Low	64.8	Low	86 Å²	86	72.4 Å²	72.4	89%	0.887	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	4.7	-178.4	0	0	0	0	0	116.1	F721	F721-G723 PolarHBondContact O-N 2.94Å; F721-G723 VanDerWaalsContact O-N 3.12Å
724	K	67.1	Low	67.1	Low	155 Å²	155	68.1 Å²	68.1	67%	0.674	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.5	114.9	-179.7	-65.1	174.3	-175.8	170.3	0	111.1	F721 A722	F721-K724 PolarHBondContact N-O 3.17Å; F721-K724 PolarHBondContact O-N 2.81Å; A722-K724 VanDerWaalsContact C-N 3.28Å; A722-K724 PolarHBondContact O-N 2.91Å
725	T	69.9	Low	69.6	Low	86 Å²	86	65.1 Å²	65.1	53%	0.528	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	135.6	167.8	-45	0	0	0	0	110	N718 Y719	N718-T725 HydrophobicContact CB-CG2 3.72Å; Y719-T725 CarbonylContact O-C 3.56Å
726	S	70.4	Confident	72	Confident	8 Å²	8	58.8 Å²	58.8	6%	0.056	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	136.9	177.5	-65.6	0	0	0	0	110	Y719 K796	Y719-S726 PolarHBondContact N-O 3.06Å; Y719-S726 WeakPolarHBondContact O-CB 3.34Å; Y719-S726 PolarHBondContact O-N 3.48Å; S726-K796 VanDerWaalsContact CB-NZ 3.31Å; S726-K796 WeakPolarHBondContact OG-CD 3.43Å; S726-K796 VanDerWaalsContact OG-CE 3.22Å; S726-K796 WeakPolarHBondContact OG-CE 3.23Å; S726-K796 PolarHBondContact OG-NZ 2.79Å
727	S	77.3	Confident	74.4	Confident	18 Å²	18	64.7 Å²	64.7	13%	0.126	37%	0.37	C	S	.	.			trans	-107.3	172.6	-179.5	68	0	0	0	0	111.2	N716 S729 D730 L792	N716-S727 WeakPolarHBondContact OD1-CA 3.41Å; N716-S727 WeakPolarHBondContact OD1-CB 3.43Å; S727-S729 PolarHBondContact O-N 3.48Å; S727-S729 WeakPolarHBondContact OG-CB 3.44Å; S727-S729 PolarHBondContact OG-N 2.98Å; S727-S729 VanDerWaalsContact OG-N 3.17Å; S727-D730 WeakPolarHBondContact CB-OD2 3.42Å; S727-D730 PolarHBondContact N-OD2 3.35Å; S727-D730 WeakPolarHBondContact O-CB 3.19Å; S727-D730 PolarHBondContact O-N 3.16Å; S727-D730 VanDerWaalsContact O-N 3.09Å; S727-D730 PolarHBondContact OG-N 3.19Å; S727-D730 PolarHBondContact OG-OD2 3.28Å; S727-L792 WeakPolarHBondContact O-CD2 3.44Å
728	I	76	Confident	76.1	Confident	35 Å²	35	64.8 Å²	64.8	18%	0.179	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-58.4	-27.5	167.5	-168.5	168.3	0	0	0	112.5	M712 N716 D730 L731 L788 L810	M712-I728 HydrophobicContact CE-CD1 3.48Å; M712-I728 VanDerWaalsContact CE-CD1 3.48Å; N716-I728 PolarHBondContact OD1-N 3.47Å; I728-D730 PolarHBondContact O-N 2.9Å; I728-L731 HydrophobicContact CG1-CD1 4.35Å; I728-L731 WeakPolarHBondContact O-CB 3.37Å; I728-L731 PolarHBondContact O-N 3.15Å; I728-L788 HydrophobicContact CB-CD1 4.31Å; I728-L788 HydrophobicContact CD1-CD1 3.68Å; I728-L788 HydrophobicContact CD1-CD2 4Å; I728-L788 HydrophobicContact CG1-CD1 3.78Å; I728-L810 HydrophobicContact CD1-CD1 4.07Å; I728-L810 HydrophobicContact CG1-CD1 4.26Å
729	S	76.3	Confident	77.8	Confident	106 Å²	106	61.1 Å²	61.1	74%	0.741	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-70.9	-16	177.3	-51.6	0	0	0	0	113.8	S727 L731	S727-S729 PolarHBondContact O-N 3.48Å; S727-S729 WeakPolarHBondContact OG-CB 3.44Å; S727-S729 PolarHBondContact OG-N 2.98Å; S727-S729 VanDerWaalsContact OG-N 3.17Å; S729-L731 VanDerWaalsContact C-N 3.32Å
730	D	83.6	Confident	79.5	Confident	91 Å²	91	64.1 Å²	64.1	49%	0.487	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-86.5	-2.7	174.5	-60.5	-79	0	0	0	112.9	S727 I728	S727-D730 WeakPolarHBondContact CB-OD2 3.42Å; S727-D730 PolarHBondContact N-OD2 3.35Å; S727-D730 WeakPolarHBondContact O-CB 3.19Å; S727-D730 PolarHBondContact O-N 3.16Å; S727-D730 VanDerWaalsContact O-N 3.09Å; S727-D730 PolarHBondContact OG-N 3.19Å; S727-D730 PolarHBondContact OG-OD2 3.28Å; I728-D730 PolarHBondContact O-N 2.9Å
731	L	87.3	Confident	81.2	Confident	17 Å²	17	64.3 Å²	64.3	9%	0.089	37%	0.365	C	S	.	.	S	Bend	trans	-81.7	135.3	173.5	-67.5	178.9	0	0	0	111.1	I728 S729 E733 L788 A791 L792 S795 V808 L810	I728-L731 HydrophobicContact CG1-CD1 4.35Å; I728-L731 WeakPolarHBondContact O-CB 3.37Å; I728-L731 PolarHBondContact O-N 3.15Å; S729-L731 VanDerWaalsContact C-N 3.32Å; L731-E733 PolarHBondContact O-N 3Å; L731-L788 HydrophobicContact CD1-CD1 3.86Å; L731-A791 HydrophobicContact CD1-CB 4.08Å; L731-L792 HydrophobicContact CD1-CD2 4.12Å; L731-L792 HydrophobicContact CD1-CG 4.32Å; L731-L792 HydrophobicContact CD2-CD2 4.13Å; L731-L792 HydrophobicContact CG-CD2 3.96Å; L731-S795 WeakPolarHBondContact CD2-OG 3.35Å; L731-V808 HydrophobicContact CB-CG2 3.86Å; L731-V808 HydrophobicContact CD1-CG1 4.44Å; L731-V808 HydrophobicContact CD1-CG2 4.37Å; L731-L810 HydrophobicContact CD1-CD1 3.95Å
732	K	90.9	Very high	82.9	Confident	105 Å²	105	67.3 Å²	67.3	46%	0.457	38%	0.381	S	S	.	.			trans	-77.6	86.4	178	-175.5	-173.2	160.5	-147.6	0	110.9	V734 M761 I806 G807 V808	K732-V734 PolarHBondContact O-N 3.45Å; K732-M761 PolarHBondContact NZ-SD 3.49Å; K732-I806 PolarHBondContact NZ-O 2.83Å; K732-G807 CarbonylContact O-C 3.58Å; K732-G807 WeakPolarHBondContact O-CA 3.35Å; K732-V808 PolarHBondContact O-N 2.04Å
733	E	91.6	Very high	84.4	Confident	53 Å²	53	70.4 Å²	70.4	25%	0.248	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-61.2	126	170.7	-176.1	72.2	-174.1	0	0	110.7	L731 V808 S809 L810 Q811	L731-E733 PolarHBondContact O-N 3Å; E733-V808 CarbonylContact C-O 3.53Å; E733-V808 WeakPolarHBondContact CA-O 3.47Å; E733-S809 WeakPolarHBondContact OE1-CA 3.4Å; E733-S809 WeakPolarHBondContact OE2-CA 3.14Å; E733-L810 PolarHBondContact OE1-N 3.12Å; E733-L810 VanDerWaalsContact OE1-N 3.13Å; E733-L810 PolarHBondContact OE2-N 2.85Å; E733-Q811 HydrophobicContact CG-CG 4.12Å; E733-Q811 WeakPolarHBondContact OE1-CB 3.34Å; E733-Q811 PolarHBondContact OE1-N 3.15Å
734	V	91.9	Very high	85.8	Confident	7 Å²	7	68.6 Å²	68.6	4%	0.042	36%	0.36	C	S	.	.			trans	-104.1	124.6	175.5	176.2	0	0	0	0	108.1	K732 R736 N738 I739 V758 V808 S809 L818	K732-V734 PolarHBondContact O-N 3.45Å; V734-R736 PolarHBondContact O-N 3.39Å; V734-N738 HydrophobicContact CG1-CB 4.44Å; V734-I739 HydrophobicContact CB-CD1 4.22Å; V734-I739 HydrophobicContact CG1-CD1 3.97Å; V734-I739 HydrophobicContact CG1-CG1 3.79Å; V734-V758 HydrophobicContact CG1-CG1 3.83Å; V734-V808 PolarHBondContact N-O 2.71Å; V734-S809 PolarHBondContact O-OG 3.13Å; V734-L818 HydrophobicContact CB-CD1 3.7Å; V734-L818 HydrophobicContact CG1-CD1 4.02Å; V734-L818 HydrophobicContact CG2-CD1 3.73Å
735	P	90.9	Very high	86.7	Confident	66 Å²	66	65.3 Å²	65.3	43%	0.429	35%	0.349	S	S	.	.			trans	-57.4	126.1	-178.5	-26	34.5	0	0	0	111.9	K737 N738	P735-K737 HydrophobicContact CB-CG 4.25Å; P735-K737 PolarHBondContact O-N 2.82Å; P735-N738 WeakPolarHBondContact O-CB 3.46Å; P735-N738 PolarHBondContact O-N 3.46Å
736	R	92.5	Very high	87.2	Confident	57 Å²	57	62.4 Å²	62.4	22%	0.215	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-49.2	-36.5	-175.6	-178.2	57.9	60.1	98.3	1.2	114.3	V734 N738 I739 S809 S812 L813 P814	V734-R736 PolarHBondContact O-N 3.39Å; R736-N738 PolarHBondContact O-N 3.02Å; R736-I739 PolarHBondContact O-N 3.14Å; R736-S809 PolarHBondContact NE-OG 2.61Å; R736-S809 VanDerWaalsContact NE-OG 3.08Å; R736-S809 PolarHBondContact NH2-O 2.81Å; R736-S809 PolarHBondContact NH2-OG 3.29Å; R736-S812 PolarHBondContact NH2-O 3.36Å; R736-L813 PolarHBondContact NH1-O 2.85Å; R736-P814 VanDerWaalsContact CZ-O 3.29Å; R736-P814 PolarHBondContact NH1-O 3.42Å; R736-P814 PolarHBondContact NH2-O 2.7Å
737	K	91.3	Very high	87.2	Confident	185 Å²	185	66.7 Å²	66.7	80%	0.804	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-62	-17.6	177.8	74.7	-171.7	-178.4	177.8	0	114.6	P735	P735-K737 HydrophobicContact CB-CG 4.25Å; P735-K737 PolarHBondContact O-N 2.82Å
738	N	91.7	Very high	86.6	Confident	37 Å²	37	67.4 Å²	67.4	20%	0.198	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-91.9	-6.1	178	-68.5	48.1	0	0	0	112.1	V734 P735 R736 V758 S759	V734-N738 HydrophobicContact CG1-CB 4.44Å; P735-N738 WeakPolarHBondContact O-CB 3.46Å; P735-N738 PolarHBondContact O-N 3.46Å; R736-N738 PolarHBondContact O-N 3.02Å; N738-V758 WeakPolarHBondContact O-CA 3.42Å; N738-S759 WeakPolarHBondContact CB-O 3.41Å; N738-S759 PolarHBondContact ND2-O 2.95Å; N738-S759 PolarHBondContact O-N 3.24Å
739	I	94.3	Very high	85.9	Confident	16 Å²	16	69.6 Å²	69.6	8%	0.082	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	120.7	-172.6	-50.8	169.1	0	0	0	109.4	V734 R736 Q757 F816 L818	V734-I739 HydrophobicContact CB-CD1 4.22Å; V734-I739 HydrophobicContact CG1-CD1 3.97Å; V734-I739 HydrophobicContact CG1-CG1 3.79Å; R736-I739 PolarHBondContact O-N 3.14Å; I739-Q757 WeakPolarHBondContact CA-O 3.43Å; I739-F816 HydrophobicContact CD1-CD2 4.23Å; I739-F816 HydrophobicContact CG2-CD2 4.25Å; I739-F816 HydrophobicContact CG2-CE2 4.29Å; I739-L818 HydrophobicContact CD1-CD1 3.86Å; I739-L818 HydrophobicContact CD1-CD2 4.24Å; I739-L818 HydrophobicContact CG1-CD1 4.28Å; I739-L818 HydrophobicContact CG2-CD2 4.13Å
740	T	93.3	Very high	85.2	Confident	75 Å²	75	66.1 Å²	66.1	46%	0.46	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	126.7	176.9	-57	0	0	0	0	109.7	G756 Q757	T740-G756 CarbonylContact O-C 3.59Å; T740-G756 WeakPolarHBondContact O-CA 3.37Å; T740-Q757 PolarHBondContact N-O 3.19Å; T740-Q757 PolarHBondContact O-N 2.84Å
741	L	93.8	Very high	84.7	Confident	69 Å²	69	62.6 Å²	62.6	36%	0.361	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	139.7	170.6	-55.1	-177	0	0	0	110	Y754 V772 F816	L741-Y754 HydrophobicContact CB-CD1 4.32Å; L741-Y754 HydrophobicContact CD1-CD1 4.27Å; L741-Y754 HydrophobicContact CD1-CD2 4.45Å; L741-Y754 HydrophobicContact CD1-CG 4.26Å; L741-Y754 HydrophobicContact CD2-CG 4.39Å; L741-V772 HydrophobicContact CD2-CB 3.93Å; L741-V772 HydrophobicContact CD2-CG1 3.88Å; L741-V772 HydrophobicContact CD2-CG2 3.93Å; L741-F816 HydrophobicContact CD1-CZ 4.12Å; L741-F816 HydrophobicContact CD2-CE2 4.47Å; L741-F816 HydrophobicContact CD2-CZ 4.29Å; L741-F816 HydrophobicContact CG-CZ 4.47Å
742	I	92.8	Very high	84.6	Confident	78 Å²	78	65.4 Å²	65.4	40%	0.4	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	-54.1	-174.3	-62	169.5	0	0	0	111.3	E755 Q757	I742-E755 WeakPolarHBondContact CB-O 3.36Å; I742-E755 HydrophobicContact CD1-CG 4.3Å; I742-E755 PolarHBondContact N-O 2.81Å; I742-Q757 HydrophobicContact CD1-CB 4.34Å; I742-Q757 HydrophobicContact CD1-CG 3.77Å
743	R	91.2	Very high	84.5	Confident	129 Å²	129	62 Å²	62	49%	0.487	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	154.1	175.5	57.4	176.6	139.5	64	17.4	111	Y754 E755	R743-Y754 CarbonylContact O-C 3.54Å; R743-Y754 VanDerWaalsContact O-CA 3.32Å; R743-Y754 WeakPolarHBondContact O-CA 3.41Å; R743-E755 HydrophobicContact CG-CB 4.29Å; R743-E755 IonicContact CZ-OE1 2.73Å; R743-E755 IonicContact CZ-OE2 3.48Å; R743-E755 IonicContact NH1-OE2 3.3Å; R743-E755 PolarHBondContact NH1-OE2 3Å; R743-E755 IonicContact NH2-OE1 3.1Å; R743-E755 PolarHBondContact NH2-OE1 3.19Å; R743-E755 IonicContact NH2-OE2 3.25Å; R743-E755 PolarHBondContact NH2-OE2 2.91Å; R743-E755 PolarHBondContact O-N 2.89Å
744	G	88.3	Confident	84.5	Confident	48 Å²	48	62.1 Å²	62.1	50%	0.495	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	146	166.6	0	0	0	0	0	111.1
745	L	85	Confident	84.6	Confident	86 Å²	86	62.5 Å²	62.5	45%	0.45	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-36.8	172.5	-63.9	175.1	0	0	0	111.1	V753 E755 L821	L745-V753 HydrophobicContact CD1-CG1 4.49Å; L745-V753 PolarHBondContact N-O 3.03Å; L745-E755 HydrophobicContact CD1-CB 4.1Å; L745-E755 HydrophobicContact CD2-CB 4.19Å; L745-E755 HydrophobicContact CG-CB 4.18Å; L745-L821 HydrophobicContact CD1-CD1 3.95Å
746	G	80.2	Confident	84.8	Confident	24 Å²	24	59.3 Å²	59.3	25%	0.247	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.4	-163.5	-179.5	0	0	0	0	0	113.2	V753	G746-V753 PolarHBondContact N-O 3.39Å; G746-V753 PolarHBondContact O-N 2.74Å
747	H	71.8	Confident	84.9	Confident	99 Å²	99	59.5 Å²	59.5	46%	0.458	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	141	170.3	-63.8	11.7	0	0	0	107.9	G751 E752	H747-G751 CarbonylContact C-O 3.59Å; H747-G751 WeakPolarHBondContact CA-O 3.46Å; H747-E752 IonicContact CE1-OE1 3.28Å; H747-E752 PolarHBondContact CE1-OE1 3.14Å
748	G	64.8	Low	84.9	Confident	32 Å²	32	50.8 Å²	50.8	33%	0.33	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	-173.8	174	0	0	0	0	0	111.2	F750 G751	G748-F750 VanDerWaalsContact C-N 3.25Å; G748-F750 PolarHBondContact O-N 2.84Å; G748-G751 PolarHBondContact N-O 2.72Å; G748-G751 PolarHBondContact O-N 3.31Å
749	A	61.7	Low	84.7	Confident	82 Å²	82	51.3 Å²	51.3	68%	0.678	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-36.2	-170	0	0	0	0	0	115.4
750	F	61.4	Low	83.7	Confident	32 Å²	32	53.5 Å²	53.5	14%	0.14	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-11	-175.3	-56.1	-69.1	0	0	0	114.9	G748 L775 P776 D786 F787 E790	G748-F750 VanDerWaalsContact C-N 3.25Å; G748-F750 PolarHBondContact O-N 2.84Å; F750-L775 HydrophobicContact CB-CD1 4.15Å; F750-P776 WeakPolarHBondContact O-CD 3.19Å; F750-D786 HydrophobicContact CE1-CB 3.6Å; F750-D786 HydrophobicContact CZ-CB 3.75Å; F750-F787 HydrophobicContact CB-CD2 4.18Å; F750-F787 HydrophobicContact CD2-CD2 4.2Å; F750-F787 HydrophobicContact CG-CD2 4.29Å; F750-E790 VanDerWaalsContact CE2-OE2 3.27Å; F750-E790 WeakPolarHBondContact CE2-OE2 3.08Å
751	G	71.7	Confident	82.4	Confident	18 Å²	18	52.6 Å²	52.6	19%	0.186	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.2	-151.1	-167	0	0	0	0	0	114.1	H747 G748	H747-G751 CarbonylContact C-O 3.59Å; H747-G751 WeakPolarHBondContact CA-O 3.46Å; G748-G751 PolarHBondContact N-O 2.72Å; G748-G751 PolarHBondContact O-N 3.31Å
752	E	84.8	Confident	80.7	Confident	75 Å²	75	55.3 Å²	55.3	35%	0.35	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	154.1	-174.6	-64.5	-172.7	121.5	0	0	112.5	H747 Y754 T774	H747-E752 IonicContact CE1-OE1 3.28Å; H747-E752 PolarHBondContact CE1-OE1 3.14Å; E752-Y754 HydrophobicContact CB-CD2 4.1Å; E752-Y754 HydrophobicContact CB-CE2 3.52Å; E752-Y754 HydrophobicContact CG-CE2 4.36Å; E752-Y754 VanDerWaalsContact OE2-CE2 3.29Å; E752-Y754 WeakPolarHBondContact OE2-CE2 3.16Å; E752-Y754 PolarHBondContact OE2-OH 3.49Å; E752-T774 PolarHBondContact N-OG1 2.73Å; E752-T774 PolarHBondContact O-N 2.97Å; E752-T774 PolarHBondContact O-OG1 3.47Å
753	V	90.1	Very high	79	Confident	35 Å²	35	59.1 Å²	59.1	21%	0.212	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.1	171.4	-172	0	0	0	0	108.9	L745 G746 A771 V772 K773	L745-V753 HydrophobicContact CD1-CG1 4.49Å; L745-V753 PolarHBondContact N-O 3.03Å; G746-V753 PolarHBondContact N-O 3.39Å; G746-V753 PolarHBondContact O-N 2.74Å; V753-A771 HydrophobicContact CG1-CB 4.46Å; V753-V772 WeakPolarHBondContact CA-O 3.23Å; V753-K773 HydrophobicContact CG2-CG 4.39Å
754	Y	92.1	Very high	77.4	Confident	55 Å²	55	56.9 Å²	56.9	22%	0.216	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	151.8	179.7	-72.8	-100.4	0	0	0	111.4	L741 R743 E752 A771 V772 T774	L741-Y754 HydrophobicContact CB-CD1 4.32Å; L741-Y754 HydrophobicContact CD1-CD1 4.27Å; L741-Y754 HydrophobicContact CD1-CD2 4.45Å; L741-Y754 HydrophobicContact CD1-CG 4.26Å; L741-Y754 HydrophobicContact CD2-CG 4.39Å; R743-Y754 CarbonylContact O-C 3.54Å; R743-Y754 VanDerWaalsContact O-CA 3.32Å; R743-Y754 WeakPolarHBondContact O-CA 3.41Å; E752-Y754 HydrophobicContact CB-CD2 4.1Å; E752-Y754 HydrophobicContact CB-CE2 3.52Å; E752-Y754 HydrophobicContact CG-CE2 4.36Å; E752-Y754 VanDerWaalsContact OE2-CE2 3.29Å; E752-Y754 WeakPolarHBondContact OE2-CE2 3.16Å; E752-Y754 PolarHBondContact OE2-OH 3.49Å; Y754-A771 CarbonylContact O-C 3.5Å; Y754-A771 WeakPolarHBondContact O-CA 3.35Å; Y754-V772 PolarHBondContact N-O 3.4Å; Y754-V772 PolarHBondContact O-N 2.88Å; Y754-T774 HydrophobicContact CD2-CG2 3.84Å; Y754-T774 HydrophobicContact CE2-CG2 4.13Å
755	E	94	Very high	76.2	Confident	14 Å²	14	61 Å²	61	7%	0.065	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	137	154.6	-175	174	125.5	0	0	108.3	I742 R743 L745 Q769 L821	I742-E755 WeakPolarHBondContact CB-O 3.36Å; I742-E755 HydrophobicContact CD1-CG 4.3Å; I742-E755 PolarHBondContact N-O 2.81Å; R743-E755 HydrophobicContact CG-CB 4.29Å; R743-E755 IonicContact CZ-OE1 2.73Å; R743-E755 IonicContact CZ-OE2 3.48Å; R743-E755 IonicContact NH1-OE2 3.3Å; R743-E755 PolarHBondContact NH1-OE2 3Å; R743-E755 IonicContact NH2-OE1 3.1Å; R743-E755 PolarHBondContact NH2-OE1 3.19Å; R743-E755 IonicContact NH2-OE2 3.25Å; R743-E755 PolarHBondContact NH2-OE2 2.91Å; R743-E755 PolarHBondContact O-N 2.89Å; L745-E755 HydrophobicContact CD1-CB 4.1Å; L745-E755 HydrophobicContact CD2-CB 4.19Å; L745-E755 HydrophobicContact CG-CB 4.18Å; E755-Q769 PolarHBondContact OE1-NE2 2.85Å; E755-L821 HydrophobicContact CB-CD1 4.42Å; E755-L821 HydrophobicContact CG-CD1 4.07Å; E755-L821 HydrophobicContact CG-CD2 3.82Å
756	G	94.2	Very high	75.7	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	179.6	175.3	0	0	0	0	0	113.3	T740 Q769 V770	T740-G756 CarbonylContact O-C 3.59Å; T740-G756 WeakPolarHBondContact O-CA 3.37Å; G756-Q769 WeakPolarHBondContact O-CA 3.4Å; G756-V770 PolarHBondContact N-O 3.14Å; G756-V770 PolarHBondContact O-N 2.66Å
757	Q	93.7	Very high	75.9	Confident	60 Å²	60	61.5 Å²	61.5	28%	0.28	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	141.9	175.6	-89.9	170	9.7	0	0	110.7	I739 T740 I742 P767 L768 Q769	I739-Q757 WeakPolarHBondContact CA-O 3.43Å; T740-Q757 PolarHBondContact N-O 3.19Å; T740-Q757 PolarHBondContact O-N 2.84Å; I742-Q757 HydrophobicContact CD1-CB 4.34Å; I742-Q757 HydrophobicContact CD1-CG 3.77Å; Q757-P767 HydrophobicContact CB-CB 4.15Å; Q757-P767 HydrophobicContact CG-CB 4.07Å; Q757-L768 CarbonylContact C-O 3.59Å; Q757-L768 VanDerWaalsContact CA-O 3.32Å; Q757-L768 WeakPolarHBondContact CA-O 3.46Å; Q757-Q769 HydrophobicContact CG-CG 4.15Å
758	V	92.4	Very high	76.8	Confident	2 Å²	2	60 Å²	60	1%	0.012	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	112	173.6	-177.8	0	0	0	0	109.4	V734 N738 M761 L768 V770 L818	V734-V758 HydrophobicContact CG1-CG1 3.83Å; N738-V758 WeakPolarHBondContact O-CA 3.42Å; V758-M761 HydrophobicContact CG1-CG 4.13Å; V758-L768 PolarHBondContact N-O 3.46Å; V758-L768 PolarHBondContact O-N 3.21Å; V758-V770 HydrophobicContact CG2-CG1 3.85Å; V758-V770 HydrophobicContact CG2-CG2 3.82Å; V758-L818 HydrophobicContact CG2-CD1 4.06Å
759	S	87.8	Confident	78.1	Confident	49 Å²	49	63.2 Å²	63.2	34%	0.343	38%	0.381	S	S	.	.			trans	-93.5	154.3	-179.7	-62.9	0	0	0	0	112.5	N738	N738-S759 WeakPolarHBondContact CB-O 3.41Å; N738-S759 PolarHBondContact ND2-O 2.95Å; N738-S759 PolarHBondContact O-N 3.24Å
760	G	72.1	Confident	79.7	Confident	61 Å²	61	59.3 Å²	59.3	63%	0.629	35%	0.348	S	S	*	.			trans	69	40.2	170	0	0	0	0	0	114.5
761	M	66.1	Low	81.3	Confident	57 Å²	57	58.4 Å²	58.4	28%	0.281	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-76.4	148.4	168.4	-79.7	-92.4	-80.2	0	0	110.2	K732 V758 N763 L768	K732-M761 PolarHBondContact NZ-SD 3.49Å; V758-M761 HydrophobicContact CG1-CG 4.13Å; M761-N763 PolarHBondContact O-N 3.35Å; M761-L768 HydrophobicContact CE-CD2 4.17Å
762	P	59.4	Low	82.4	Confident	125 Å²	125	57.5 Å²	57.5	81%	0.812	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-18	-170	-26.4	35.9	0	0	0	116.8
763	N	56.7	Low	82.7	Confident	159 Å²	159	54.5 Å²	54.5	85%	0.85	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	-7.7	-169.2	-67.8	17.6	0	0	0	114.4	M761	M761-N763 PolarHBondContact O-N 3.35Å
764	D	57.4	Low	82.8	Confident	81 Å²	81	53.3 Å²	53.3	43%	0.433	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-149.9	128.5	-176.8	-159.3	-51.6	0	0	0	110.8	S766	D764-S766 VanDerWaalsContact C-N 3.29Å; D764-S766 VanDerWaalsContact OD1-CB 3.27Å; D764-S766 WeakPolarHBondContact OD1-CB 3.46Å; D764-S766 PolarHBondContact OD1-N 3.35Å; D764-S766 PolarHBondContact OD1-OG 3.19Å
765	P	62.1	Low	82.6	Confident	134 Å²	134	50.8 Å²	50.8	87%	0.87	31%	0.307	S	S	*	.	S	Bend	trans	-75.7	-12.9	176.3	31.8	-36.2	0	0	0	113.8
766	S	76.1	Confident	82.1	Confident	64 Å²	64	52.6 Å²	52.6	45%	0.448	32%	0.32	S	S	.	.	S	Bend	trans	-80.8	147.6	177.6	70.9	0	0	0	0	112.2	D764 L768	D764-S766 VanDerWaalsContact C-N 3.29Å; D764-S766 VanDerWaalsContact OD1-CB 3.27Å; D764-S766 WeakPolarHBondContact OD1-CB 3.46Å; D764-S766 PolarHBondContact OD1-N 3.35Å; D764-S766 PolarHBondContact OD1-OG 3.19Å; S766-L768 PolarHBondContact O-N 3.27Å
767	P	83.3	Confident	81.6	Confident	57 Å²	57	58.5 Å²	58.5	37%	0.37	35%	0.348	S	S	.	.			trans	-75.4	115.3	179.7	29.7	-33.6	0	0	0	110.9	Q757 Q769	Q757-P767 HydrophobicContact CB-CB 4.15Å; Q757-P767 HydrophobicContact CG-CB 4.07Å; P767-Q769 PolarHBondContact O-N 3.45Å
768	L	90.1	Very high	80.9	Confident	69 Å²	69	62.3 Å²	62.3	36%	0.361	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	120.5	-179.8	176.3	62.9	0	0	0	110.5	Q757 V758 M761 S766 V770 I806	Q757-L768 CarbonylContact C-O 3.59Å; Q757-L768 VanDerWaalsContact CA-O 3.32Å; Q757-L768 WeakPolarHBondContact CA-O 3.46Å; V758-L768 PolarHBondContact N-O 3.46Å; V758-L768 PolarHBondContact O-N 3.21Å; M761-L768 HydrophobicContact CE-CD2 4.17Å; S766-L768 PolarHBondContact O-N 3.27Å; L768-V770 HydrophobicContact CD2-CG1 4.39Å; L768-V770 HydrophobicContact CG-CG1 4.18Å; L768-I806 HydrophobicContact CD2-CD1 4.36Å; L768-I806 HydrophobicContact CD2-CG2 3.76Å
769	Q	93.3	Very high	80.2	Confident	98 Å²	98	64.3 Å²	64.3	46%	0.458	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	136.3	171.3	-76.7	-176.4	-80.2	0	0	111.1	E755 G756 Q757 P767 L821	E755-Q769 PolarHBondContact OE1-NE2 2.85Å; G756-Q769 WeakPolarHBondContact O-CA 3.4Å; Q757-Q769 HydrophobicContact CG-CG 4.15Å; P767-Q769 PolarHBondContact O-N 3.45Å; Q769-L821 HydrophobicContact CB-CD2 3.85Å; Q769-L821 HydrophobicContact CG-CD2 4.48Å
770	V	95.3	Very high	79.6	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	156.5	-177.1	-64.8	0	0	0	0	111.1	G756 V758 L768 V772 I806 L819	G756-V770 PolarHBondContact N-O 3.14Å; G756-V770 PolarHBondContact O-N 2.66Å; V758-V770 HydrophobicContact CG2-CG1 3.85Å; V758-V770 HydrophobicContact CG2-CG2 3.82Å; L768-V770 HydrophobicContact CD2-CG1 4.39Å; L768-V770 HydrophobicContact CG-CG1 4.18Å; V770-V772 HydrophobicContact CG2-CG2 3.78Å; V770-I806 HydrophobicContact CG1-CB 4.35Å; V770-I806 HydrophobicContact CG1-CG1 4.06Å; V770-I806 HydrophobicContact CG1-CG2 4.14Å; V770-L819 CarbonylContact C-O 3.51Å; V770-L819 VanDerWaalsContact CA-O 3.3Å; V770-L819 WeakPolarHBondContact CA-O 3.43Å; V770-L819 WeakPolarHBondContact CB-O 3.4Å
771	A	94.9	Very high	79.6	Confident	13 Å²	13	69.6 Å²	69.6	11%	0.107	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	140.7	156.2	0	0	0	0	0	109.2	V753 Y754 L819 L821	V753-A771 HydrophobicContact CG1-CB 4.46Å; Y754-A771 CarbonylContact O-C 3.5Å; Y754-A771 WeakPolarHBondContact O-CA 3.35Å; A771-L819 HydrophobicContact CB-CB 4.3Å; A771-L819 PolarHBondContact N-O 3.37Å; A771-L819 PolarHBondContact O-N 2.92Å; A771-L821 HydrophobicContact CB-CD1 4.33Å
772	V	94.1	Very high	79.7	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	105	-179.4	-172.9	0	0	0	0	108.6	L741 V753 Y754 V770 T774 F816 I817 L818	L741-V772 HydrophobicContact CD2-CB 3.93Å; L741-V772 HydrophobicContact CD2-CG1 3.88Å; L741-V772 HydrophobicContact CD2-CG2 3.93Å; V753-V772 WeakPolarHBondContact CA-O 3.23Å; Y754-V772 PolarHBondContact N-O 3.4Å; Y754-V772 PolarHBondContact O-N 2.88Å; V770-V772 HydrophobicContact CG2-CG2 3.78Å; V772-T774 HydrophobicContact CG1-CG2 4.45Å; V772-F816 HydrophobicContact CG1-CB 3.8Å; V772-F816 HydrophobicContact CG1-CD1 3.72Å; V772-F816 HydrophobicContact CG1-CD2 3.92Å; V772-F816 HydrophobicContact CG1-CE1 4.23Å; V772-F816 HydrophobicContact CG1-CE2 4.39Å; V772-F816 HydrophobicContact CG1-CG 3.56Å; V772-I817 WeakPolarHBondContact CA-O 3.09Å; V772-L818 HydrophobicContact CB-CD2 4.35Å; V772-L818 HydrophobicContact CG1-CD2 3.94Å; V772-L818 HydrophobicContact CG2-CD2 3.8Å
773	K	92.5	Very high	80.4	Confident	11 Å²	11	68.6 Å²	68.6	5%	0.048	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	129.4	172.1	-158.9	178.7	-157.6	177.8	0	107.9	V753 F787 E790 F816 I817 D893	V753-K773 HydrophobicContact CG2-CG 4.39Å; K773-F787 HydrophobicContact CG-CE2 4.36Å; K773-E790 WeakPolarHBondContact CD-OE1 3.49Å; K773-E790 IonicContact NZ-OE1 2.7Å; K773-E790 PolarHBondContact NZ-OE1 2.84Å; K773-E790 IonicContact NZ-OE2 3.81Å; K773-E790 PolarHBondContact NZ-OE2 2.9Å; K773-F816 WeakPolarHBondContact O-CA 3.45Å; K773-I817 HydrophobicContact CB-CB 4.37Å; K773-I817 PolarHBondContact N-O 3.41Å; K773-I817 PolarHBondContact O-N 2.64Å; K773-D893 IonicContact NZ-OD1 2.75Å; K773-D893 IonicContact NZ-OD2 2.72Å; K773-D893 PolarHBondContact NZ-OD2 2.91Å; K773-D893 VanDerWaalsContact NZ-OD2 3.08Å
774	T	91	Very high	81.4	Confident	11 Å²	11	64 Å²	64	7%	0.067	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	143.6	-175.9	74.4	0	0	0	0	111.9	E752 Y754 V772 R815 F816	E752-T774 PolarHBondContact N-OG1 2.73Å; E752-T774 PolarHBondContact O-N 2.97Å; E752-T774 PolarHBondContact O-OG1 3.47Å; Y754-T774 HydrophobicContact CD2-CG2 3.84Å; Y754-T774 HydrophobicContact CE2-CG2 4.13Å; V772-T774 HydrophobicContact CG1-CG2 4.45Å; T774-R815 WeakPolarHBondContact CA-O 3.3Å; T774-F816 HydrophobicContact CG2-CD1 3.78Å; T774-F816 HydrophobicContact CG2-CE1 3.66Å
775	L	87.8	Confident	82.3	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.005	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	123.4	166.5	-174.7	69.8	0	0	0	109	F750 C779 D783 E784 F787 P814 R815	F750-L775 HydrophobicContact CB-CD1 4.15Å; L775-C779 HydrophobicContact CD1-CB 4.34Å; L775-D783 HydrophobicContact CD1-CB 4.21Å; L775-E784 HydrophobicContact CD2-CB 4.44Å; L775-E784 HydrophobicContact CD2-CG 4.14Å; L775-F787 HydrophobicContact CB-CD1 3.97Å; L775-F787 HydrophobicContact CB-CD2 3.94Å; L775-F787 HydrophobicContact CB-CE1 3.88Å; L775-F787 HydrophobicContact CB-CE2 3.84Å; L775-F787 HydrophobicContact CB-CG 3.99Å; L775-F787 HydrophobicContact CB-CZ 3.8Å; L775-F787 HydrophobicContact CD1-CB 4.1Å; L775-F787 HydrophobicContact CD1-CD2 4.2Å; L775-F787 HydrophobicContact CD1-CG 4.17Å; L775-F787 HydrophobicContact CD2-CB 4.12Å; L775-F787 HydrophobicContact CD2-CD1 4.03Å; L775-F787 HydrophobicContact CD2-CG 4.1Å; L775-F787 HydrophobicContact CG-CD1 4.5Å; L775-F787 HydrophobicContact CG-CG 4.32Å; L775-P814 WeakPolarHBondContact O-CB 3.37Å; L775-R815 HydrophobicContact CB-CB 4.23Å; L775-R815 PolarHBondContact N-O 2.96Å; L775-R815 PolarHBondContact O-N 2.85Å
776	P	83.9	Confident	82.9	Confident	53 Å²	53	59 Å²	59	34%	0.344	32%	0.322	S	S	.	.			trans	-54.7	148.3	177.2	-28.3	35.9	0	0	0	113.5	F750 V778 C779	F750-P776 WeakPolarHBondContact O-CD 3.19Å; P776-V778 PolarHBondContact O-N 2.98Å; P776-C779 PolarHBondContact O-SG 2.86Å
777	E	82.6	Confident	83.3	Confident	124 Å²	124	56 Å²	56	58%	0.579	30%	0.301	S	S	*	.	S	Bend	trans	-69.8	-14	175.2	-51.7	-163.9	171.8	0	0	113.1	L813 P814	E777-L813 HydrophobicContact CG-CB 4.03Å; E777-P814 HydrophobicContact CG-CB 4.03Å; E777-P814 VanDerWaalsContact OE1-CD 3.28Å; E777-P814 WeakPolarHBondContact OE1-CD 3.16Å
778	V	80.4	Confident	83.2	Confident	139 Å²	139	54 Å²	54	84%	0.842	29%	0.286	S	S	*	.	S	Bend	trans	-117.1	93.7	172.8	-176.1	0	0	0	0	107.6	P776	P776-V778 PolarHBondContact O-N 2.98Å
779	C	77.6	Confident	82.7	Confident	44 Å²	44	52.6 Å²	52.6	30%	0.297	28%	0.279	S	S	.	.			trans	-142.7	171.2	177	57.5	0	0	0	0	109.6	L775 P776 D783	L775-C779 HydrophobicContact CD1-CB 4.34Å; P776-C779 PolarHBondContact O-SG 2.86Å; C779-D783 HydrophobicContact CB-CB 3.89Å
780	S	75.1	Confident	82.3	Confident	56 Å²	56	48 Å²	48	39%	0.392	26%	0.257	S	S	.	.			trans	-86.9	162.2	175.6	74.4	0	0	0	0	112	Q782 D783 E784	S780-Q782 PolarHBondContact O-N 3.49Å; S780-Q782 PolarHBondContact OG-N 3Å; S780-D783 WeakPolarHBondContact CA-OD2 3.31Å; S780-D783 VanDerWaalsContact CB-OD2 3.26Å; S780-D783 WeakPolarHBondContact CB-OD2 3.4Å; S780-D783 PolarHBondContact N-OD2 2.88Å; S780-D783 WeakPolarHBondContact O-CB 3.33Å; S780-D783 PolarHBondContact O-N 3.33Å; S780-D783 VanDerWaalsContact OG-CG 3.22Å; S780-D783 PolarHBondContact OG-N 3.16Å; S780-D783 PolarHBondContact OG-OD2 3.41Å; S780-E784 PolarHBondContact O-N 3.48Å; S780-E784 VanDerWaalsContact O-N 3.08Å
781	E	72.9	Confident	81.9	Confident	166 Å²	166	48 Å²	48	78%	0.776	26%	0.257	S	S	*	.	H	α-helix	trans	-58.3	-30	173.8	-62.7	-179.8	173.1	0	0	112.1	E784 L785	E781-E784 PolarHBondContact O-N 3.07Å; E781-L785 VanDerWaalsContact O-CG 3.3Å; E781-L785 WeakPolarHBondContact O-CG 3.36Å; E781-L785 PolarHBondContact O-N 2.92Å
782	Q	68.2	Low	81.4	Confident	104 Å²	104	47.4 Å²	47.4	49%	0.486	25%	0.252	S	S	.	.	H	α-helix	trans	-70.1	-36.4	174.1	-171.7	64	55.8	0	0	112.1	S780 L785 D786	S780-Q782 PolarHBondContact O-N 3.49Å; S780-Q782 PolarHBondContact OG-N 3Å; Q782-L785 PolarHBondContact O-N 3.22Å; Q782-D786 PolarHBondContact NE2-OD1 3Å; Q782-D786 WeakPolarHBondContact O-CB 3.22Å; Q782-D786 PolarHBondContact O-N 3.33Å
783	D	73.4	Confident	80.9	Confident	56 Å²	56	47.9 Å²	47.9	30%	0.299	26%	0.255	S	S	.	.	H	α-helix	trans	-68.7	-36.9	175.9	-55.2	-58.8	0	0	0	111	L775 C779 S780 L785 F787	L775-D783 HydrophobicContact CD1-CB 4.21Å; C779-D783 HydrophobicContact CB-CB 3.89Å; S780-D783 WeakPolarHBondContact CA-OD2 3.31Å; S780-D783 VanDerWaalsContact CB-OD2 3.26Å; S780-D783 WeakPolarHBondContact CB-OD2 3.4Å; S780-D783 PolarHBondContact N-OD2 2.88Å; S780-D783 WeakPolarHBondContact O-CB 3.33Å; S780-D783 PolarHBondContact O-N 3.33Å; S780-D783 VanDerWaalsContact OG-CG 3.22Å; S780-D783 PolarHBondContact OG-N 3.16Å; S780-D783 PolarHBondContact OG-OD2 3.41Å; D783-L785 VanDerWaalsContact C-N 3.35Å; D783-F787 WeakPolarHBondContact O-CB 3.35Å; D783-F787 PolarHBondContact O-N 2.68Å
784	E	78.3	Confident	80.6	Confident	64 Å²	64	47.4 Å²	47.4	30%	0.299	25%	0.253	S	S	.	.	H	α-helix	trans	-62.2	-42.2	172.1	-59.8	-154.2	163	0	0	111.8	L775 S780 E781 L788 R815	L775-E784 HydrophobicContact CD2-CB 4.44Å; L775-E784 HydrophobicContact CD2-CG 4.14Å; S780-E784 PolarHBondContact O-N 3.48Å; S780-E784 VanDerWaalsContact O-N 3.08Å; E781-E784 PolarHBondContact O-N 3.07Å; E784-L788 VanDerWaalsContact O-CB 3.29Å; E784-L788 WeakPolarHBondContact O-CB 3.49Å; E784-L788 PolarHBondContact O-N 3.16Å; E784-R815 VanDerWaalsContact CD-CZ 3.45Å; E784-R815 IonicContact OE1-CZ 3.6Å; E784-R815 IonicContact OE1-NH1 3.18Å; E784-R815 PolarHBondContact OE1-NH1 3.33Å; E784-R815 IonicContact OE1-NH2 3.91Å; E784-R815 PolarHBondContact OE1-NH2 3.19Å; E784-R815 IonicContact OE2-CZ 3.8Å; E784-R815 IonicContact OE2-NH1 3.38Å; E784-R815 IonicContact OE2-NH2 2.79Å; E784-R815 PolarHBondContact OE2-NH2 3.33Å
785	L	76.3	Confident	80.5	Confident	66 Å²	66	48.7 Å²	48.7	35%	0.346	26%	0.262	S	S	.	.	H	α-helix	trans	-69.6	-44	178.1	-73.4	171	0	0	0	112.7	E781 Q782 D783 L788 M789	E781-L785 VanDerWaalsContact O-CG 3.3Å; E781-L785 WeakPolarHBondContact O-CG 3.36Å; E781-L785 PolarHBondContact O-N 2.92Å; Q782-L785 PolarHBondContact O-N 3.22Å; D783-L785 VanDerWaalsContact C-N 3.35Å; L785-L788 PolarHBondContact O-N 3.14Å; L785-M789 WeakPolarHBondContact O-CB 3.42Å; L785-M789 WeakPolarHBondContact O-CG 3.5Å; L785-M789 PolarHBondContact O-N 3.02Å
786	D	74.9	Confident	80.4	Confident	43 Å²	43	51.2 Å²	51.2	23%	0.23	27%	0.273	C	S	.	.	H	α-helix	trans	-67	-39.1	179.3	-78.1	4.1	0	0	0	110.7	F750 Q782 M789 E790	F750-D786 HydrophobicContact CE1-CB 3.6Å; F750-D786 HydrophobicContact CZ-CB 3.75Å; Q782-D786 PolarHBondContact NE2-OD1 3Å; Q782-D786 WeakPolarHBondContact O-CB 3.22Å; Q782-D786 PolarHBondContact O-N 3.33Å; D786-M789 PolarHBondContact O-N 3.13Å; D786-E790 PolarHBondContact O-N 2.73Å
787	F	83.3	Confident	80.7	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.009	26%	0.259	C	S	.	.	H	α-helix	trans	-66.4	-39.8	173.4	-171.7	-97.7	0	0	0	112.6	F750 K773 L775 D783 A791 L810 R815 I817	F750-F787 HydrophobicContact CB-CD2 4.18Å; F750-F787 HydrophobicContact CD2-CD2 4.2Å; F750-F787 HydrophobicContact CG-CD2 4.29Å; K773-F787 HydrophobicContact CG-CE2 4.36Å; L775-F787 HydrophobicContact CB-CD1 3.97Å; L775-F787 HydrophobicContact CB-CD2 3.94Å; L775-F787 HydrophobicContact CB-CE1 3.88Å; L775-F787 HydrophobicContact CB-CE2 3.84Å; L775-F787 HydrophobicContact CB-CG 3.99Å; L775-F787 HydrophobicContact CB-CZ 3.8Å; L775-F787 HydrophobicContact CD1-CB 4.1Å; L775-F787 HydrophobicContact CD1-CD2 4.2Å; L775-F787 HydrophobicContact CD1-CG 4.17Å; L775-F787 HydrophobicContact CD2-CB 4.12Å; L775-F787 HydrophobicContact CD2-CD1 4.03Å; L775-F787 HydrophobicContact CD2-CG 4.1Å; L775-F787 HydrophobicContact CG-CD1 4.5Å; L775-F787 HydrophobicContact CG-CG 4.32Å; D783-F787 WeakPolarHBondContact O-CB 3.35Å; D783-F787 PolarHBondContact O-N 2.68Å; F787-A791 PolarHBondContact O-N 3.01Å; F787-A791 VanDerWaalsContact O-N 3.08Å; F787-L810 HydrophobicContact CE1-CD2 4.14Å; F787-R815 HydrophobicContact CE1-CB 3.95Å; F787-I817 HydrophobicContact CD1-CD1 4.16Å; F787-I817 HydrophobicContact CD1-CG1 4.34Å; F787-I817 HydrophobicContact CD2-CD1 4Å; F787-I817 HydrophobicContact CE1-CD1 3.97Å; F787-I817 HydrophobicContact CE1-CG1 3.73Å; F787-I817 HydrophobicContact CE2-CD1 3.8Å; F787-I817 HydrophobicContact CE2-CG1 4.14Å; F787-I817 HydrophobicContact CG-CD1 4.19Å; F787-I817 HydrophobicContact CZ-CB 4.41Å; F787-I817 HydrophobicContact CZ-CD1 3.8Å; F787-I817 HydrophobicContact CZ-CG1 3.63Å
788	L	82.1	Confident	81	Confident	13 Å²	13	48.5 Å²	48.5	7%	0.068	26%	0.259	C	S	.	.	H	α-helix	trans	-65.2	-40	172.5	174.7	59.7	0	0	0	111.6	P717 I728 L731 E784 L785 A791 L792 L810	P717-L788 HydrophobicContact CG-CD2 3.69Å; P717-L788 HydrophobicContact CG-CG 4.35Å; I728-L788 HydrophobicContact CB-CD1 4.31Å; I728-L788 HydrophobicContact CD1-CD1 3.68Å; I728-L788 HydrophobicContact CD1-CD2 4Å; I728-L788 HydrophobicContact CG1-CD1 3.78Å; L731-L788 HydrophobicContact CD1-CD1 3.86Å; E784-L788 VanDerWaalsContact O-CB 3.29Å; E784-L788 WeakPolarHBondContact O-CB 3.49Å; E784-L788 PolarHBondContact O-N 3.16Å; L785-L788 PolarHBondContact O-N 3.14Å; L788-A791 WeakPolarHBondContact O-CB 3.35Å; L788-A791 PolarHBondContact O-N 2.97Å; L788-L792 HydrophobicContact CD1-CD1 4.22Å; L788-L792 HydrophobicContact CD1-CG 4.27Å; L788-L792 HydrophobicContact CG-CD1 4.08Å; L788-L792 WeakPolarHBondContact O-CB 3.41Å; L788-L792 WeakPolarHBondContact O-CG 3.48Å; L788-L792 PolarHBondContact O-N 2.86Å; L788-L810 HydrophobicContact CD1-CD1 3.97Å
789	M	79.4	Confident	81.7	Confident	40 Å²	40	44.1 Å²	44.1	20%	0.197	23%	0.229	C	C	.	.	H	α-helix	trans	-65.9	-41.5	176.5	-79.3	-56.9	-41.2	0	0	112	P717 Y719 L785 D786 A791 L792 I793	P717-M789 HydrophobicContact CB-SD 4.31Å; Y719-M789 HydrophobicContact CD2-CE 3.71Å; Y719-M789 HydrophobicContact CE2-CE 4.35Å; Y719-M789 HydrophobicContact CG-CE 4.08Å; L785-M789 WeakPolarHBondContact O-CB 3.42Å; L785-M789 WeakPolarHBondContact O-CG 3.5Å; L785-M789 PolarHBondContact O-N 3.02Å; D786-M789 PolarHBondContact O-N 3.13Å; M789-A791 VanDerWaalsContact C-N 3.33Å; M789-A791 PolarHBondContact O-N 2.87Å; M789-L792 PolarHBondContact O-N 3.02Å; M789-L792 HydrophobicContact SD-CD1 4.14Å; M789-I793 HydrophobicContact CE-CD1 4.2Å; M789-I793 HydrophobicContact CE-CG1 4.28Å; M789-I793 WeakPolarHBondContact O-CB 3.29Å; M789-I793 WeakPolarHBondContact O-CD1 3.29Å; M789-I793 VanDerWaalsContact O-CG1 3.23Å; M789-I793 WeakPolarHBondContact O-CG1 3.44Å; M789-I793 PolarHBondContact O-N 3.46Å
790	E	83.8	Confident	82.5	Confident	3 Å²	3	48.5 Å²	48.5	1%	0.014	25%	0.245	C	C	.	.	H	α-helix	trans	-56.8	-48.6	171.8	-173	-171.1	161.5	0	0	110.6	F750 K773 D786 L792 I793 I794 I817	F750-E790 VanDerWaalsContact CE2-OE2 3.27Å; F750-E790 WeakPolarHBondContact CE2-OE2 3.08Å; K773-E790 WeakPolarHBondContact CD-OE1 3.49Å; K773-E790 IonicContact NZ-OE1 2.7Å; K773-E790 PolarHBondContact NZ-OE1 2.84Å; K773-E790 IonicContact NZ-OE2 3.81Å; K773-E790 PolarHBondContact NZ-OE2 2.9Å; D786-E790 PolarHBondContact O-N 2.73Å; E790-L792 PolarHBondContact O-N 2.85Å; E790-I793 PolarHBondContact O-N 3.09Å; E790-I794 VanDerWaalsContact O-CG2 3.27Å; E790-I794 WeakPolarHBondContact O-CG2 3.48Å; E790-I794 PolarHBondContact O-N 3.06Å; E790-I817 HydrophobicContact CB-CD1 4.45Å
791	A	86.8	Confident	83.6	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59	-44.2	178	0	0	0	0	0	112.6	L731 F787 L788 M789 S795 V808 I817	L731-A791 HydrophobicContact CD1-CB 4.08Å; F787-A791 PolarHBondContact O-N 3.01Å; F787-A791 VanDerWaalsContact O-N 3.08Å; L788-A791 WeakPolarHBondContact O-CB 3.35Å; L788-A791 PolarHBondContact O-N 2.97Å; M789-A791 VanDerWaalsContact C-N 3.33Å; M789-A791 PolarHBondContact O-N 2.87Å; A791-S795 WeakPolarHBondContact O-CB 3.48Å; A791-S795 PolarHBondContact O-N 2.82Å; A791-S795 VanDerWaalsContact O-N 3.08Å; A791-S795 PolarHBondContact O-OG 3.12Å; A791-V808 HydrophobicContact CB-CG1 4Å; A791-I817 HydrophobicContact CB-CD1 3.83Å; A791-I817 HydrophobicContact CB-CG1 3.92Å
792	L	84.9	Confident	84.7	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.8	-49.1	175.7	-74.7	167.7	0	0	0	111.2	P717 Y719 S727 L731 L788 M789 E790 S795 K796	P717-L792 HydrophobicContact CG-CD1 4.3Å; Y719-L792 HydrophobicContact CD1-CB 4.1Å; Y719-L792 HydrophobicContact CG-CB 4.36Å; S727-L792 WeakPolarHBondContact O-CD2 3.44Å; L731-L792 HydrophobicContact CD1-CD2 4.12Å; L731-L792 HydrophobicContact CD1-CG 4.32Å; L731-L792 HydrophobicContact CD2-CD2 4.13Å; L731-L792 HydrophobicContact CG-CD2 3.96Å; L788-L792 HydrophobicContact CD1-CD1 4.22Å; L788-L792 HydrophobicContact CD1-CG 4.27Å; L788-L792 HydrophobicContact CG-CD1 4.08Å; L788-L792 WeakPolarHBondContact O-CB 3.41Å; L788-L792 WeakPolarHBondContact O-CG 3.48Å; L788-L792 PolarHBondContact O-N 2.86Å; M789-L792 PolarHBondContact O-N 3.02Å; M789-L792 HydrophobicContact SD-CD1 4.14Å; E790-L792 PolarHBondContact O-N 2.85Å; L792-S795 PolarHBondContact O-N 3.34Å; L792-S795 PolarHBondContact O-OG 3.17Å; L792-K796 WeakPolarHBondContact O-CG 3.37Å
793	I	83.9	Confident	86	Confident	10 Å²	10	33.4 Å²	33.4	5%	0.051	17%	0.169	C	C	.	.	H	α-helix	trans	-58	-58.9	178.7	-72.2	163.5	0	0	0	111	Y719 M789 E790 S795 K796 F797 F868 F894	Y719-I793 HydrophobicContact CE1-CG1 4.08Å; Y719-I793 HydrophobicContact CE2-CG1 4.01Å; M789-I793 HydrophobicContact CE-CD1 4.2Å; M789-I793 HydrophobicContact CE-CG1 4.28Å; M789-I793 WeakPolarHBondContact O-CB 3.29Å; M789-I793 WeakPolarHBondContact O-CD1 3.29Å; M789-I793 VanDerWaalsContact O-CG1 3.23Å; M789-I793 WeakPolarHBondContact O-CG1 3.44Å; M789-I793 PolarHBondContact O-N 3.46Å; E790-I793 PolarHBondContact O-N 3.09Å; I793-S795 PolarHBondContact O-N 3.41Å; I793-K796 PolarHBondContact O-N 3Å; I793-F797 HydrophobicContact CG2-CD2 4.39Å; I793-F797 HydrophobicContact CG2-CE2 3.43Å; I793-F797 VanDerWaalsContact CG2-CE2 3.43Å; I793-F797 HydrophobicContact CG2-CZ 3.82Å; I793-F868 HydrophobicContact CD1-CZ 4.41Å; I793-F868 HydrophobicContact CG1-CZ 4.42Å; I793-F868 HydrophobicContact CG2-CE1 4.32Å; I793-F868 HydrophobicContact CG2-CE2 4.31Å; I793-F868 HydrophobicContact CG2-CZ 3.65Å; I793-F894 HydrophobicContact CG2-CB 4.08Å; I793-F894 HydrophobicContact CG2-CD1 4.34Å; I793-F894 HydrophobicContact CG2-CG 4.3Å
794	I	87.2	Confident	86.9	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-70	-17.2	-174.2	-158.8	166	0	0	0	113.2	E790 K796 C805 L819 F894	E790-I794 VanDerWaalsContact O-CG2 3.27Å; E790-I794 WeakPolarHBondContact O-CG2 3.48Å; E790-I794 PolarHBondContact O-N 3.06Å; I794-K796 VanDerWaalsContact C-N 3.33Å; I794-C805 HydrophobicContact CG2-CB 4.12Å; I794-C805 WeakPolarHBondContact O-CB 3.5Å; I794-L819 HydrophobicContact CD1-CD1 4.39Å; I794-L819 HydrophobicContact CD1-CD2 3.78Å; I794-L819 HydrophobicContact CG1-CD2 4.44Å; I794-L819 HydrophobicContact CG2-CD2 4.19Å; I794-F894 HydrophobicContact CD1-CD2 3.99Å; I794-F894 HydrophobicContact CD1-CE2 4.2Å; I794-F894 HydrophobicContact CG1-CD2 4.27Å; I794-F894 HydrophobicContact CG1-CE2 4.37Å
795	S	88.6	Confident	87.7	Confident	38 Å²	38	35.2 Å²	35.2	27%	0.266	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-17.4	171.7	76.2	0	0	0	0	114.8	L731 A791 L792 I793	L731-S795 WeakPolarHBondContact CD2-OG 3.35Å; A791-S795 WeakPolarHBondContact O-CB 3.48Å; A791-S795 PolarHBondContact O-N 2.82Å; A791-S795 VanDerWaalsContact O-N 3.08Å; A791-S795 PolarHBondContact O-OG 3.12Å; L792-S795 PolarHBondContact O-N 3.34Å; L792-S795 PolarHBondContact O-OG 3.17Å; I793-S795 PolarHBondContact O-N 3.41Å
796	K	85.8	Confident	88.5	Confident	54 Å²	54	33.1 Å²	33.1	24%	0.235	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-20.4	-177.4	-56.6	-63.1	142.6	169.4	0	113.6	Y719 F721 S726 L792 I793 I794	Y719-K796 HydrophobicContact CD1-CG 4.29Å; Y719-K796 HydrophobicContact CE1-CG 4.03Å; F721-K796 HydrophobicContact CB-CB 4.5Å; F721-K796 HydrophobicContact CD1-CB 3.64Å; F721-K796 HydrophobicContact CD1-CG 4.46Å; F721-K796 HydrophobicContact CE1-CB 4.15Å; F721-K796 HydrophobicContact CG-CB 4.23Å; S726-K796 VanDerWaalsContact CB-NZ 3.31Å; S726-K796 WeakPolarHBondContact OG-CD 3.43Å; S726-K796 VanDerWaalsContact OG-CE 3.22Å; S726-K796 WeakPolarHBondContact OG-CE 3.23Å; S726-K796 PolarHBondContact OG-NZ 2.79Å; L792-K796 WeakPolarHBondContact O-CG 3.37Å; I793-K796 PolarHBondContact O-N 3Å; I794-K796 VanDerWaalsContact C-N 3.33Å
797	F	88.9	Confident	89.3	Confident	12 Å²	12	31.1 Å²	31.1	5%	0.053	15%	0.151	C	C	.	.			trans	-75.7	135.7	175.1	-58	-42.7	0	0	0	112.1	F721 I793 I802 Y862 L863 F868 F894	F721-F797 HydrophobicContact CD2-CE1 4.42Å; F721-F797 HydrophobicContact CE1-CD1 4.29Å; F721-F797 HydrophobicContact CE1-CE1 4.37Å; F721-F797 HydrophobicContact CE2-CD1 4.3Å; F721-F797 AromaticContact CE2-CE1 3.62Å; F721-F797 HydrophobicContact CE2-CE1 3.62Å; F721-F797 AromaticContact CZ-CD1 3.78Å; F721-F797 HydrophobicContact CZ-CD1 3.78Å; F721-F797 AromaticContact CZ-CE1 3.57Å; F721-F797 HydrophobicContact CZ-CE1 3.57Å; I793-F797 HydrophobicContact CG2-CD2 4.39Å; I793-F797 HydrophobicContact CG2-CE2 3.43Å; I793-F797 VanDerWaalsContact CG2-CE2 3.43Å; I793-F797 HydrophobicContact CG2-CZ 3.82Å; F797-I802 HydrophobicContact CB-CD1 4.13Å; F797-I802 HydrophobicContact CB-CG2 3.97Å; F797-I802 HydrophobicContact CD2-CD1 4.39Å; F797-I802 HydrophobicContact CD2-CG2 4.21Å; F797-I802 HydrophobicContact CG-CD1 4.16Å; F797-I802 HydrophobicContact CG-CG2 4.46Å; F797-Y862 HydrophobicContact CB-CE1 4.1Å; F797-Y862 AromaticContact CD1-CE1 3.83Å; F797-Y862 HydrophobicContact CD1-CE1 3.83Å; F797-Y862 HydrophobicContact CG-CE1 4.29Å; F797-L863 HydrophobicContact CD1-CD2 4.16Å; F797-L863 HydrophobicContact CE1-CD2 3.74Å; F797-L863 HydrophobicContact CE2-CD2 4.24Å; F797-L863 HydrophobicContact CZ-CD2 3.81Å; F797-F868 HydrophobicContact CE1-CD1 4.25Å; F797-F868 HydrophobicContact CE1-CG 4.24Å; F797-F868 HydrophobicContact CE2-CD1 4.49Å; F797-F868 HydrophobicContact CE2-CE1 4.08Å; F797-F868 HydrophobicContact CE2-CZ 4.41Å; F797-F868 AromaticContact CZ-CD1 3.59Å; F797-F868 HydrophobicContact CZ-CD1 3.59Å; F797-F868 HydrophobicContact CZ-CD2 4.16Å; F797-F868 AromaticContact CZ-CE1 3.48Å; F797-F868 HydrophobicContact CZ-CE1 3.48Å; F797-F868 VanDerWaalsContact CZ-CE1 3.48Å; F797-F868 HydrophobicContact CZ-CE2 4.12Å; F797-F868 AromaticContact CZ-CG 3.91Å; F797-F868 HydrophobicContact CZ-CG 3.91Å; F797-F868 AromaticContact CZ-CZ 3.79Å; F797-F868 HydrophobicContact CZ-CZ 3.79Å; F797-F894 HydrophobicContact CD2-CD1 4.44Å; F797-F894 AromaticContact CD2-CE1 3.93Å; F797-F894 HydrophobicContact CD2-CE1 3.93Å; F797-F894 HydrophobicContact CD2-CE2 4.3Å; F797-F894 AromaticContact CD2-CZ 3.85Å; F797-F894 HydrophobicContact CD2-CZ 3.85Å; F797-F894 AromaticContact CE2-CD1 3.66Å; F797-F894 HydrophobicContact CE2-CD1 3.66Å; F797-F894 AromaticContact CE2-CE1 3.42Å; F797-F894 HydrophobicContact CE2-CE1 3.42Å; F797-F894 VanDerWaalsContact CE2-CE1 3.42Å; F797-F894 HydrophobicContact CE2-CE2 4.43Å; F797-F894 HydrophobicContact CE2-CG 4.26Å; F797-F894 AromaticContact CE2-CZ 3.84Å; F797-F894 HydrophobicContact CE2-CZ 3.84Å; F797-F894 HydrophobicContact CZ-CD1 4.49Å; F797-F894 HydrophobicContact CZ-CE1 4.24Å
798	N	88.7	Confident	89.8	Confident	107 Å²	107	31.1 Å²	31.1	57%	0.572	15%	0.151	S	C	*	.			trans	-139.5	78	173.5	-178.2	85.5	0	0	0	108.9	R804 Y862	N798-R804 PolarHBondContact OD1-NH1 3.39Å; N798-Y862 PolarHBondContact N-OH 2.83Å
799	H	95.4	Very high	90.4	Very high	48 Å²	48	30.5 Å²	30.5	22%	0.222	15%	0.148	C	C	.	.			trans	-136	147.9	177.3	-175.2	-111.8	0	0	0	110.5	N801 I802 C858 Y862	H799-N801 VanDerWaalsContact C-N 3.28Å; H799-N801 PolarHBondContact CE1-OD1 2.84Å; H799-N801 PolarHBondContact ND1-N 3.34Å; H799-N801 PolarHBondContact O-N 2.85Å; H799-I802 HydrophobicContact CB-CB 4.47Å; H799-I802 HydrophobicContact CB-CD1 4.21Å; H799-I802 HydrophobicContact CB-CG1 4.29Å; H799-I802 PolarHBondContact O-N 2.89Å; H799-C858 VanDerWaalsContact CE1-C 3.45Å; H799-C858 PolarHBondContact CE1-O 3.31Å; H799-C858 VanDerWaalsContact CE1-O 3.24Å; H799-Y862 HydrophobicContact CB-CD1 3.59Å; H799-Y862 HydrophobicContact CB-CD2 3.85Å; H799-Y862 HydrophobicContact CB-CE1 3.81Å; H799-Y862 HydrophobicContact CB-CE2 4.08Å; H799-Y862 HydrophobicContact CB-CG 3.6Å; H799-Y862 AromaticContact CG-CG 3.71Å
800	Q	95.6	Very high	90.9	Very high	136 Å²	136	29.2 Å²	29.2	64%	0.636	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-30	-172.6	73.8	-169.8	0.9	0	0	113.2	K890	Q800-K890 VanDerWaalsContact O-CD 3.29Å; Q800-K890 WeakPolarHBondContact O-CD 3.49Å; Q800-K890 WeakPolarHBondContact O-CE 3.36Å; Q800-K890 PolarHBondContact O-NZ 3.2Å; Q800-K890 VanDerWaalsContact O-NZ 3.13Å
801	N	97.9	Very high	91.1	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	22	178.2	-56.3	100.2	0	0	0	113.4	H799 D855 C858 A889 K890 I891	H799-N801 VanDerWaalsContact C-N 3.28Å; H799-N801 PolarHBondContact CE1-OD1 2.84Å; H799-N801 PolarHBondContact ND1-N 3.34Å; H799-N801 PolarHBondContact O-N 2.85Å; N801-D855 WeakPolarHBondContact CB-O 3.33Å; N801-D855 WeakPolarHBondContact ND2-CB 3.35Å; N801-D855 PolarHBondContact ND2-O 3.12Å; N801-D855 PolarHBondContact OD1-O 3.48Å; N801-C858 WeakPolarHBondContact OD1-CB 3.2Å; N801-A889 PolarHBondContact ND2-O 2.81Å; N801-K890 CarbonylContact O-C 3.53Å; N801-K890 VanDerWaalsContact O-CA 3.24Å; N801-K890 WeakPolarHBondContact O-CA 3.28Å; N801-I891 PolarHBondContact O-N 3.31Å
802	I	96.5	Very high	91	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.021	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-123.2	138.1	168.1	-65.2	179.6	0	0	0	107.8	F797 H799 R804 Y862 L863 I891 F894	F797-I802 HydrophobicContact CB-CD1 4.13Å; F797-I802 HydrophobicContact CB-CG2 3.97Å; F797-I802 HydrophobicContact CD2-CD1 4.39Å; F797-I802 HydrophobicContact CD2-CG2 4.21Å; F797-I802 HydrophobicContact CG-CD1 4.16Å; F797-I802 HydrophobicContact CG-CG2 4.46Å; H799-I802 HydrophobicContact CB-CB 4.47Å; H799-I802 HydrophobicContact CB-CD1 4.21Å; H799-I802 HydrophobicContact CB-CG1 4.29Å; H799-I802 PolarHBondContact O-N 2.89Å; I802-R804 PolarHBondContact O-N 2.62Å; I802-Y862 HydrophobicContact CD1-CD1 3.55Å; I802-Y862 HydrophobicContact CD1-CE1 3.87Å; I802-L863 HydrophobicContact CD1-CD2 3.77Å; I802-L863 HydrophobicContact CD1-CG 4.26Å; I802-I891 HydrophobicContact CG1-CB 4.37Å; I802-F894 HydrophobicContact CD1-CZ 4.25Å; I802-F894 HydrophobicContact CG1-CZ 4.36Å; I802-F894 HydrophobicContact CG2-CE2 3.79Å; I802-F894 HydrophobicContact CG2-CZ 3.7Å
803	V	95	Very high	91	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.018	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-62.5	123.1	178.3	169.5	0	0	0	0	110.1	L819 E820 M822 L879 K890 I891	V803-L819 HydrophobicContact CG1-CB 3.9Å; V803-L819 HydrophobicContact CG1-CD1 4.33Å; V803-L819 HydrophobicContact CG1-CG 4.49Å; V803-E820 HydrophobicContact CG1-CB 4.19Å; V803-M822 HydrophobicContact CG2-CE 4.47Å; V803-M822 HydrophobicContact CG2-CG 3.85Å; V803-M822 HydrophobicContact CG2-SD 4.18Å; V803-L879 HydrophobicContact CG2-CD1 4.25Å; V803-K890 HydrophobicContact CG2-CB 4.01Å; V803-K890 HydrophobicContact CG2-CD 4.46Å; V803-I891 WeakPolarHBondContact CG2-O 3.38Å; V803-I891 PolarHBondContact N-O 2.74Å
804	R	92.7	Very high	91.3	Very high	134 Å²	134	42.1 Å²	42.1	51%	0.506	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-75.1	129.9	-174.4	-172	-177.7	-175.3	84.2	5.5	112.2	N798 I802 I806 L819 E820	N798-R804 PolarHBondContact OD1-NH1 3.39Å; I802-R804 PolarHBondContact O-N 2.62Å; R804-I806 HydrophobicContact CG-CD1 4.36Å; R804-I806 PolarHBondContact O-N 2.96Å; R804-L819 CarbonylContact O-C 3.54Å; R804-L819 WeakPolarHBondContact O-CA 3.45Å; R804-E820 HydrophobicContact CB-CB 4.19Å; R804-E820 PolarHBondContact N-OE2 2.81Å; R804-E820 VanDerWaalsContact N-OE2 3.15Å; R804-E820 PolarHBondContact O-N 2.6Å
805	C	93.4	Very high	91.5	Very high	24 Å²	24	42.6 Å²	42.6	16%	0.162	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	122.4	163.8	-169.7	0	0	0	0	111.1	I794 L819	I794-C805 HydrophobicContact CG2-CB 4.12Å; I794-C805 WeakPolarHBondContact O-CB 3.5Å; C805-L819 HydrophobicContact CB-CD2 4.45Å
806	I	93	Very high	91.8	Very high	22 Å²	22	41.2 Å²	41.2	11%	0.113	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-29.4	178.4	-55.8	-56.8	0	0	0	111.2	K732 L768 V770 R804 L818	K732-I806 PolarHBondContact NZ-O 2.83Å; L768-I806 HydrophobicContact CD2-CD1 4.36Å; L768-I806 HydrophobicContact CD2-CG2 3.76Å; V770-I806 HydrophobicContact CG1-CB 4.35Å; V770-I806 HydrophobicContact CG1-CG1 4.06Å; V770-I806 HydrophobicContact CG1-CG2 4.14Å; R804-I806 HydrophobicContact CG-CD1 4.36Å; R804-I806 PolarHBondContact O-N 2.96Å; I806-L818 HydrophobicContact CB-CB 4.2Å; I806-L818 WeakPolarHBondContact CB-O 3.2Å; I806-L818 PolarHBondContact N-O 2.84Å
807	G	92.1	Very high	92.1	Very high	2 Å²	2	38.6 Å²	38.6	2%	0.021	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.9	-168.3	179.7	0	0	0	0	0	111.6	K732 L818	K732-G807 CarbonylContact O-C 3.58Å; K732-G807 WeakPolarHBondContact O-CA 3.35Å; G807-L818 PolarHBondContact N-O 3.44Å; G807-L818 WeakPolarHBondContact O-CA 3.12Å; G807-L818 WeakPolarHBondContact O-CB 3.42Å; G807-L818 PolarHBondContact O-N 2.85Å
808	V	94.8	Very high	92.4	Very high	1 Å²	1	38 Å²	38	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	168.8	178	-64.8	0	0	0	0	110.8	L731 K732 E733 V734 A791 L810 F816 I817	L731-V808 HydrophobicContact CB-CG2 3.86Å; L731-V808 HydrophobicContact CD1-CG1 4.44Å; L731-V808 HydrophobicContact CD1-CG2 4.37Å; K732-V808 PolarHBondContact O-N 2.04Å; E733-V808 CarbonylContact C-O 3.53Å; E733-V808 WeakPolarHBondContact CA-O 3.47Å; V734-V808 PolarHBondContact N-O 2.71Å; A791-V808 HydrophobicContact CB-CG1 4Å; V808-L810 HydrophobicContact CB-CD1 4.44Å; V808-L810 HydrophobicContact CB-CD2 4.19Å; V808-L810 HydrophobicContact CB-CG 3.93Å; V808-L810 HydrophobicContact CG2-CD1 4.11Å; V808-L810 HydrophobicContact CG2-CG 3.87Å; V808-F816 CarbonylContact C-O 3.58Å; V808-F816 WeakPolarHBondContact CA-O 3.5Å; V808-I817 HydrophobicContact CG1-CG1 4.36Å
809	S	94.1	Very high	92.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	80	165.4	-171.6	0	0	0	0	109.2	E733 V734 R736 F816	E733-S809 WeakPolarHBondContact OE1-CA 3.4Å; E733-S809 WeakPolarHBondContact OE2-CA 3.14Å; V734-S809 PolarHBondContact O-OG 3.13Å; R736-S809 PolarHBondContact NE-OG 2.61Å; R736-S809 VanDerWaalsContact NE-OG 3.08Å; R736-S809 PolarHBondContact NH2-O 2.81Å; R736-S809 PolarHBondContact NH2-OG 3.29Å; S809-F816 PolarHBondContact N-O 2.86Å; S809-F816 PolarHBondContact O-N 3.31Å
810	L	90.8	Very high	92.6	Very high	13 Å²	13	34 Å²	34	7%	0.068	17%	0.165	C	C	.	.			trans	-92.5	-22.9	-175.5	-52.9	-177.2	0	0	0	112.4	M712 I728 L731 E733 F787 L788 V808 S812 R815	M712-L810 HydrophobicContact CE-CB 4.18Å; M712-L810 HydrophobicContact CE-CD1 4.46Å; I728-L810 HydrophobicContact CD1-CD1 4.07Å; I728-L810 HydrophobicContact CG1-CD1 4.26Å; L731-L810 HydrophobicContact CD1-CD1 3.95Å; E733-L810 PolarHBondContact OE1-N 3.12Å; E733-L810 VanDerWaalsContact OE1-N 3.13Å; E733-L810 PolarHBondContact OE2-N 2.85Å; F787-L810 HydrophobicContact CE1-CD2 4.14Å; L788-L810 HydrophobicContact CD1-CD1 3.97Å; V808-L810 HydrophobicContact CB-CD1 4.44Å; V808-L810 HydrophobicContact CB-CD2 4.19Å; V808-L810 HydrophobicContact CB-CG 3.93Å; V808-L810 HydrophobicContact CG2-CD1 4.11Å; V808-L810 HydrophobicContact CG2-CG 3.87Å; L810-S812 PolarHBondContact O-N 2.92Å; L810-S812 VanDerWaalsContact O-N 3.08Å; L810-R815 HydrophobicContact CD2-CB 4.16Å
811	Q	86.5	Confident	92.6	Very high	149 Å²	149	29 Å²	29	70%	0.696	14%	0.143	S	C	*	.	S	Bend	trans	-77.7	15.8	179.4	-58.1	-180	7.8	0	0	113.2	E733	E733-Q811 HydrophobicContact CG-CG 4.12Å; E733-Q811 WeakPolarHBondContact OE1-CB 3.34Å; E733-Q811 PolarHBondContact OE1-N 3.15Å
812	S	85.7	Confident	92.4	Very high	27 Å²	27	29.7 Å²	29.7	19%	0.189	15%	0.146	C	C	.	.	S	Bend	trans	-155.1	146.2	178.8	-76.5	0	0	0	0	110.7	R736 L810 P814	R736-S812 PolarHBondContact NH2-O 3.36Å; L810-S812 PolarHBondContact O-N 2.92Å; L810-S812 VanDerWaalsContact O-N 3.08Å; S812-P814 CarbonylContact O-C 3.55Å; S812-P814 VanDerWaalsContact O-O 3.13Å
813	L	85.4	Confident	92.3	Very high	67 Å²	67	32.8 Å²	32.8	35%	0.351	17%	0.173	S	C	.	.	S	Bend	trans	-93.4	152.5	176.3	-61.8	-177.1	0	0	0	111.5	T708 R736 E777 R815	T708-L813 HydrophobicContact CG2-CD1 4.35Å; R736-L813 PolarHBondContact NH1-O 2.85Å; E777-L813 HydrophobicContact CG-CB 4.03Å; L813-R815 HydrophobicContact CD2-CG 3.91Å
814	P	90	Very high	92.1	Very high	41 Å²	41	33.3 Å²	33.3	27%	0.266	18%	0.179	S	C	.	.	S	Bend	cis	-58.2	151.8	-22.9	27.4	-33.8	0	0	0	109.9	R736 L775 E777 S812 F816	R736-P814 VanDerWaalsContact CZ-O 3.29Å; R736-P814 PolarHBondContact NH1-O 3.42Å; R736-P814 PolarHBondContact NH2-O 2.7Å; L775-P814 WeakPolarHBondContact O-CB 3.37Å; E777-P814 HydrophobicContact CG-CB 4.03Å; E777-P814 VanDerWaalsContact OE1-CD 3.28Å; E777-P814 WeakPolarHBondContact OE1-CD 3.16Å; S812-P814 CarbonylContact O-C 3.55Å; S812-P814 VanDerWaalsContact O-O 3.13Å; P814-F816 HydrophobicContact CG-CE1 3.91Å; P814-F816 HydrophobicContact CG-CZ 4.39Å
815	R	90.7	Very high	92.1	Very high	11 Å²	11	28.7 Å²	28.7	4%	0.042	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	146.5	-175.4	-59.9	-172.9	-174.8	83.5	-13.7	110.7	T774 L775 E784 F787 L810 L813	T774-R815 WeakPolarHBondContact CA-O 3.3Å; L775-R815 HydrophobicContact CB-CB 4.23Å; L775-R815 PolarHBondContact N-O 2.96Å; L775-R815 PolarHBondContact O-N 2.85Å; E784-R815 VanDerWaalsContact CD-CZ 3.45Å; E784-R815 IonicContact OE1-CZ 3.6Å; E784-R815 IonicContact OE1-NH1 3.18Å; E784-R815 PolarHBondContact OE1-NH1 3.33Å; E784-R815 IonicContact OE1-NH2 3.91Å; E784-R815 PolarHBondContact OE1-NH2 3.19Å; E784-R815 IonicContact OE2-CZ 3.8Å; E784-R815 IonicContact OE2-NH1 3.38Å; E784-R815 IonicContact OE2-NH2 2.79Å; E784-R815 PolarHBondContact OE2-NH2 3.33Å; F787-R815 HydrophobicContact CE1-CB 3.95Å; L810-R815 HydrophobicContact CD2-CB 4.16Å; L813-R815 HydrophobicContact CD2-CG 3.91Å
816	F	94.1	Very high	92.1	Very high	9 Å²	9	29.7 Å²	29.7	4%	0.039	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	144.5	-177.6	-60	-29	0	0	0	113.6	I739 L741 V772 K773 T774 V808 S809 P814 L818	I739-F816 HydrophobicContact CD1-CD2 4.23Å; I739-F816 HydrophobicContact CG2-CD2 4.25Å; I739-F816 HydrophobicContact CG2-CE2 4.29Å; L741-F816 HydrophobicContact CD1-CZ 4.12Å; L741-F816 HydrophobicContact CD2-CE2 4.47Å; L741-F816 HydrophobicContact CD2-CZ 4.29Å; L741-F816 HydrophobicContact CG-CZ 4.47Å; V772-F816 HydrophobicContact CG1-CB 3.8Å; V772-F816 HydrophobicContact CG1-CD1 3.72Å; V772-F816 HydrophobicContact CG1-CD2 3.92Å; V772-F816 HydrophobicContact CG1-CE1 4.23Å; V772-F816 HydrophobicContact CG1-CE2 4.39Å; V772-F816 HydrophobicContact CG1-CG 3.56Å; K773-F816 WeakPolarHBondContact O-CA 3.45Å; T774-F816 HydrophobicContact CG2-CD1 3.78Å; T774-F816 HydrophobicContact CG2-CE1 3.66Å; V808-F816 CarbonylContact C-O 3.58Å; V808-F816 WeakPolarHBondContact CA-O 3.5Å; S809-F816 PolarHBondContact N-O 2.86Å; S809-F816 PolarHBondContact O-N 3.31Å; P814-F816 HydrophobicContact CG-CE1 3.91Å; P814-F816 HydrophobicContact CG-CZ 4.39Å; F816-L818 HydrophobicContact CB-CD2 4.32Å
817	I	93.3	Very high	92.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	134.6	157.3	-58.9	165.4	0	0	0	107.5	V772 K773 F787 E790 A791 V808 L819	V772-I817 WeakPolarHBondContact CA-O 3.09Å; K773-I817 HydrophobicContact CB-CB 4.37Å; K773-I817 PolarHBondContact N-O 3.41Å; K773-I817 PolarHBondContact O-N 2.64Å; F787-I817 HydrophobicContact CD1-CD1 4.16Å; F787-I817 HydrophobicContact CD1-CG1 4.34Å; F787-I817 HydrophobicContact CD2-CD1 4Å; F787-I817 HydrophobicContact CE1-CD1 3.97Å; F787-I817 HydrophobicContact CE1-CG1 3.73Å; F787-I817 HydrophobicContact CE2-CD1 3.8Å; F787-I817 HydrophobicContact CE2-CG1 4.14Å; F787-I817 HydrophobicContact CG-CD1 4.19Å; F787-I817 HydrophobicContact CZ-CB 4.41Å; F787-I817 HydrophobicContact CZ-CD1 3.8Å; F787-I817 HydrophobicContact CZ-CG1 3.63Å; E790-I817 HydrophobicContact CB-CD1 4.45Å; A791-I817 HydrophobicContact CB-CD1 3.83Å; A791-I817 HydrophobicContact CB-CG1 3.92Å; V808-I817 HydrophobicContact CG1-CG1 4.36Å; I817-L819 HydrophobicContact CG2-CD2 3.68Å; I817-L819 HydrophobicContact CG2-CG 4.05Å
818	L	94.3	Very high	92.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	116.2	-177.4	-51.3	173.6	0	0	0	109.2	V734 I739 V758 V772 I806 G807 F816	V734-L818 HydrophobicContact CB-CD1 3.7Å; V734-L818 HydrophobicContact CG1-CD1 4.02Å; V734-L818 HydrophobicContact CG2-CD1 3.73Å; I739-L818 HydrophobicContact CD1-CD1 3.86Å; I739-L818 HydrophobicContact CD1-CD2 4.24Å; I739-L818 HydrophobicContact CG1-CD1 4.28Å; I739-L818 HydrophobicContact CG2-CD2 4.13Å; V758-L818 HydrophobicContact CG2-CD1 4.06Å; V772-L818 HydrophobicContact CB-CD2 4.35Å; V772-L818 HydrophobicContact CG1-CD2 3.94Å; V772-L818 HydrophobicContact CG2-CD2 3.8Å; I806-L818 HydrophobicContact CB-CB 4.2Å; I806-L818 WeakPolarHBondContact CB-O 3.2Å; I806-L818 PolarHBondContact N-O 2.84Å; G807-L818 PolarHBondContact N-O 3.44Å; G807-L818 WeakPolarHBondContact O-CA 3.12Å; G807-L818 WeakPolarHBondContact O-CB 3.42Å; G807-L818 PolarHBondContact O-N 2.85Å; F816-L818 HydrophobicContact CB-CD2 4.32Å
819	L	94.3	Very high	92.2	Very high	14 Å²	14	32 Å²	32	7%	0.073	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	160.8	-174.1	-59.1	-178.1	0	0	0	111.2	V770 A771 I794 V803 R804 C805 I817 L821	V770-L819 CarbonylContact C-O 3.51Å; V770-L819 VanDerWaalsContact CA-O 3.3Å; V770-L819 WeakPolarHBondContact CA-O 3.43Å; V770-L819 WeakPolarHBondContact CB-O 3.4Å; A771-L819 HydrophobicContact CB-CB 4.3Å; A771-L819 PolarHBondContact N-O 3.37Å; A771-L819 PolarHBondContact O-N 2.92Å; I794-L819 HydrophobicContact CD1-CD1 4.39Å; I794-L819 HydrophobicContact CD1-CD2 3.78Å; I794-L819 HydrophobicContact CG1-CD2 4.44Å; I794-L819 HydrophobicContact CG2-CD2 4.19Å; V803-L819 HydrophobicContact CG1-CB 3.9Å; V803-L819 HydrophobicContact CG1-CD1 4.33Å; V803-L819 HydrophobicContact CG1-CG 4.49Å; R804-L819 CarbonylContact O-C 3.54Å; R804-L819 WeakPolarHBondContact O-CA 3.45Å; C805-L819 HydrophobicContact CB-CD2 4.45Å; I817-L819 HydrophobicContact CG2-CD2 3.68Å; I817-L819 HydrophobicContact CG2-CG 4.05Å; L819-L821 PolarHBondContact O-N 3.4Å
820	E	94.5	Very high	92.3	Very high	55 Å²	55	32.4 Å²	32.4	26%	0.257	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	132.4	167.6	-177.6	177.9	-168.2	0	0	111.2	V803 R804 M822 K890	V803-E820 HydrophobicContact CG1-CB 4.19Å; R804-E820 HydrophobicContact CB-CB 4.19Å; R804-E820 PolarHBondContact N-OE2 2.81Å; R804-E820 VanDerWaalsContact N-OE2 3.15Å; R804-E820 PolarHBondContact O-N 2.6Å; E820-M822 HydrophobicContact CG-SD 4.28Å; E820-M822 PolarHBondContact O-N 3.02Å; E820-K890 IonicContact OE1-NZ 2.8Å; E820-K890 PolarHBondContact OE1-NZ 3.01Å; E820-K890 IonicContact OE2-NZ 3.72Å; E820-K890 PolarHBondContact OE2-NZ 2.91Å
821	L	94.6	Very high	92.5	Very high	32 Å²	32	31.9 Å²	31.9	17%	0.168	19%	0.188	C	C	.	.			trans	-77.8	110.6	-179.4	-178.9	64.5	0	0	0	111	L745 E755 Q769 A771 L819 A823	L745-L821 HydrophobicContact CD1-CD1 3.95Å; E755-L821 HydrophobicContact CB-CD1 4.42Å; E755-L821 HydrophobicContact CG-CD1 4.07Å; E755-L821 HydrophobicContact CG-CD2 3.82Å; Q769-L821 HydrophobicContact CB-CD2 3.85Å; Q769-L821 HydrophobicContact CG-CD2 4.48Å; A771-L821 HydrophobicContact CB-CD1 4.33Å; L819-L821 PolarHBondContact O-N 3.4Å; L821-A823 PolarHBondContact O-N 3.18Å
822	M	95.5	Very high	92.9	Very high	16 Å²	16	30.2 Å²	30.2	8%	0.079	18%	0.176	C	C	.	.			trans	-92.8	84.5	178.8	-60.8	-60.7	-73.3	0	0	110.6	V803 E820 G824 G825 L879 L880 T881 K890	V803-M822 HydrophobicContact CG2-CE 4.47Å; V803-M822 HydrophobicContact CG2-CG 3.85Å; V803-M822 HydrophobicContact CG2-SD 4.18Å; E820-M822 HydrophobicContact CG-SD 4.28Å; E820-M822 PolarHBondContact O-N 3.02Å; M822-G824 PolarHBondContact O-N 3.14Å; M822-G825 PolarHBondContact O-N 2.69Å; M822-G825 VanDerWaalsContact O-N 3.14Å; M822-L879 HydrophobicContact CB-CB 3.69Å; M822-L879 HydrophobicContact CB-CD1 3.99Å; M822-L879 HydrophobicContact CB-CG 4.47Å; M822-L879 VanDerWaalsContact CE-C 3.5Å; M822-L879 HydrophobicContact CE-CB 3.9Å; M822-L879 VanDerWaalsContact CE-O 3.28Å; M822-L879 WeakPolarHBondContact CE-O 3.16Å; M822-L879 HydrophobicContact CG-CB 3.77Å; M822-L879 HydrophobicContact CG-CD1 3.9Å; M822-L880 CarbonylContact C-O 3.58Å; M822-L880 VanDerWaalsContact C-O 3.26Å; M822-L880 VanDerWaalsContact CE-C 3.42Å; M822-T881 HydrophobicContact CE-CG2 3.87Å; M822-T881 HydrophobicContact SD-CG2 4.1Å; M822-K890 HydrophobicContact CE-CB 3.85Å; M822-K890 HydrophobicContact CE-CD 3.8Å; M822-K890 HydrophobicContact CE-CG 3.58Å; M822-K890 HydrophobicContact SD-CD 4.01Å; M822-K890 HydrophobicContact SD-CG 4.45Å
823	A	92.9	Very high	93.1	Very high	69 Å²	69	35.9 Å²	35.9	57%	0.57	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-3.9	-170.1	0	0	0	0	0	115.1	L821 T881	L821-A823 PolarHBondContact O-N 3.18Å; A823-T881 PolarHBondContact N-O 2.73Å
824	G	91.9	Very high	93.4	Very high	14 Å²	14	34.1 Å²	34.1	14%	0.144	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-4.5	169.2	0	0	0	0	0	114.5	M822 L880	M822-G824 PolarHBondContact O-N 3.14Å; G824-L880 VanDerWaalsContact CA-O 3.27Å; G824-L880 WeakPolarHBondContact CA-O 3.08Å; G824-L880 PolarHBondContact N-O 3.17Å
825	G	92.4	Very high	93.5	Very high	36 Å²	36	33.5 Å²	33.5	37%	0.371	18%	0.184	S	C	.	.			trans	73.2	-160.3	-177.4	0	0	0	0	0	113.2	M822 L879 L880	M822-G825 PolarHBondContact O-N 2.69Å; M822-G825 VanDerWaalsContact O-N 3.14Å; G825-L879 WeakPolarHBondContact O-CA 3.04Å; G825-L880 PolarHBondContact O-N 2.79Å
826	D	92.6	Very high	93.4	Very high	46 Å²	46	33 Å²	33	25%	0.246	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-81.6	147.8	174.7	83.3	-87.8	0	0	0	112.1	K828 S829 F830 C878 L879	D826-K828 VanDerWaalsContact C-N 3.3Å; D826-K828 PolarHBondContact O-N 3.42Å; D826-K828 WeakPolarHBondContact OD2-CA 3.25Å; D826-K828 VanDerWaalsContact OD2-CB 3.27Å; D826-K828 WeakPolarHBondContact OD2-CB 3.49Å; D826-K828 PolarHBondContact OD2-N 2.98Å; D826-S829 PolarHBondContact O-N 3.44Å; D826-S829 WeakPolarHBondContact OD1-CB 3.39Å; D826-S829 PolarHBondContact OD1-OG 2.92Å; D826-S829 PolarHBondContact OD2-N 2.92Å; D826-S829 PolarHBondContact OD2-OG 3.25Å; D826-F830 WeakPolarHBondContact O-CB 3.33Å; D826-F830 PolarHBondContact O-N 3.01Å; D826-C878 WeakPolarHBondContact CA-O 3.47Å; D826-L879 HydrophobicContact CB-CD2 3.9Å
827	L	96.5	Very high	93	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.4	-31.9	-175.7	174.1	62.4	0	0	0	112.3	F830 L831 V852 A875 C878 L880 L941 I945	L827-F830 HydrophobicContact CD1-CD1 4.23Å; L827-L831 HydrophobicContact CD1-CD1 3.82Å; L827-L831 HydrophobicContact CD1-CD2 4.34Å; L827-L831 HydrophobicContact CD1-CG 3.79Å; L827-L831 HydrophobicContact CG-CD1 3.8Å; L827-L831 HydrophobicContact CG-CG 4.25Å; L827-L831 WeakPolarHBondContact O-CB 3.26Å; L827-L831 WeakPolarHBondContact O-CD1 3.32Å; L827-L831 WeakPolarHBondContact O-CG 3.33Å; L827-L831 PolarHBondContact O-N 3.36Å; L827-V852 HydrophobicContact CD1-CG1 3.67Å; L827-V852 HydrophobicContact CD1-CG2 4.48Å; L827-V852 HydrophobicContact CD2-CG1 3.51Å; L827-V852 HydrophobicContact CG-CG1 4.25Å; L827-A875 WeakPolarHBondContact CB-O 3.41Å; L827-A875 HydrophobicContact CD2-CB 4.44Å; L827-A875 HydrophobicContact CG-CB 4.42Å; L827-C878 HydrophobicContact CB-CB 3.89Å; L827-C878 WeakPolarHBondContact CB-O 3.26Å; L827-C878 HydrophobicContact CD2-CB 3.81Å; L827-C878 PolarHBondContact N-O 2.7Å; L827-L880 HydrophobicContact CD1-CD1 4.04Å; L827-L880 HydrophobicContact CD1-CG 4.47Å; L827-L941 HydrophobicContact CD2-CD1 4.21Å; L827-I945 HydrophobicContact CD2-CD1 4.35Å; L827-I945 HydrophobicContact CD2-CG1 4.1Å
828	K	94.3	Very high	92.4	Very high	33 Å²	33	39.8 Å²	39.8	14%	0.143	22%	0.215	C	C	.	.	H	α-helix	trans	-70.7	-40.5	-179.2	-164	179.7	-176.1	65.3	0	111.7	D826 R832 A875 E944 Y950	D826-K828 VanDerWaalsContact C-N 3.3Å; D826-K828 PolarHBondContact O-N 3.42Å; D826-K828 WeakPolarHBondContact OD2-CA 3.25Å; D826-K828 VanDerWaalsContact OD2-CB 3.27Å; D826-K828 WeakPolarHBondContact OD2-CB 3.49Å; D826-K828 PolarHBondContact OD2-N 2.98Å; K828-R832 WeakPolarHBondContact O-CD 3.48Å; K828-R832 VanDerWaalsContact O-CG 3.26Å; K828-R832 WeakPolarHBondContact O-CG 3.16Å; K828-R832 PolarHBondContact O-N 3.17Å; K828-A875 HydrophobicContact CB-CB 3.93Å; K828-A875 HydrophobicContact CG-CB 4.38Å; K828-A875 PolarHBondContact N-O 3.38Å; K828-E944 IonicContact NZ-OE1 3.64Å; K828-E944 PolarHBondContact NZ-OE1 3.43Å; K828-Y950 PolarHBondContact NZ-O 3.04Å
829	S	92.4	Very high	91.6	Very high	39 Å²	39	44 Å²	44	27%	0.273	24%	0.244	S	C	.	.	H	α-helix	trans	-67.4	-48.2	172.7	-58.5	0	0	0	0	110.8	D826 L831 R832 E833	D826-S829 PolarHBondContact O-N 3.44Å; D826-S829 WeakPolarHBondContact OD1-CB 3.39Å; D826-S829 PolarHBondContact OD1-OG 2.92Å; D826-S829 PolarHBondContact OD2-N 2.92Å; D826-S829 PolarHBondContact OD2-OG 3.25Å; S829-L831 PolarHBondContact O-N 3.48Å; S829-R832 PolarHBondContact O-N 2.97Å; S829-E833 WeakPolarHBondContact O-CG 3.28Å; S829-E833 PolarHBondContact O-N 3.11Å
830	F	95.6	Very high	90.7	Very high	10 Å²	10	49.2 Å²	49.2	4%	0.044	27%	0.268	C	S	.	.	H	α-helix	trans	-53.7	-47	177.1	171.7	-97	0	0	0	113.1	D826 L827 R832 E833 T834 L844 L880 P883 R887	D826-F830 WeakPolarHBondContact O-CB 3.33Å; D826-F830 PolarHBondContact O-N 3.01Å; L827-F830 HydrophobicContact CD1-CD1 4.23Å; F830-R832 VanDerWaalsContact C-N 3.25Å; F830-R832 PolarHBondContact O-N 3.4Å; F830-E833 PolarHBondContact O-N 3.21Å; F830-T834 WeakPolarHBondContact CD2-OG1 3.11Å; F830-T834 HydrophobicContact CE2-CG2 4.15Å; F830-T834 VanDerWaalsContact CE2-OG1 3.27Å; F830-T834 WeakPolarHBondContact CE2-OG1 3.09Å; F830-T834 HydrophobicContact CZ-CG2 4.14Å; F830-T834 VanDerWaalsContact O-CB 3.25Å; F830-T834 WeakPolarHBondContact O-CB 3.16Å; F830-T834 PolarHBondContact O-N 2.85Å; F830-T834 PolarHBondContact O-OG1 3.18Å; F830-L844 HydrophobicContact CE1-CD1 4.44Å; F830-L844 HydrophobicContact CE1-CD2 3.97Å; F830-L844 HydrophobicContact CZ-CD2 3.92Å; F830-L880 HydrophobicContact CB-CD1 3.61Å; F830-L880 HydrophobicContact CD1-CD1 3.32Å; F830-L880 HydrophobicContact CD2-CD1 3.87Å; F830-L880 HydrophobicContact CE1-CD1 3.95Å; F830-L880 HydrophobicContact CE2-CD1 4.43Å; F830-L880 HydrophobicContact CG-CD1 3.28Å; F830-L880 HydrophobicContact CZ-CD1 4.47Å; F830-P883 HydrophobicContact CD2-CB 4.36Å; F830-P883 HydrophobicContact CE2-CB 4.2Å; F830-P883 WeakPolarHBondContact CE2-O 3.45Å; F830-R887 VanDerWaalsContact CZ-NE 3.31Å
831	L	95.8	Very high	89.6	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-63.7	-28.3	178.7	-74.7	166.9	0	0	0	113.2	L827 S829 R835 L849 I945 L948	L827-L831 HydrophobicContact CD1-CD1 3.82Å; L827-L831 HydrophobicContact CD1-CD2 4.34Å; L827-L831 HydrophobicContact CD1-CG 3.79Å; L827-L831 HydrophobicContact CG-CD1 3.8Å; L827-L831 HydrophobicContact CG-CG 4.25Å; L827-L831 WeakPolarHBondContact O-CB 3.26Å; L827-L831 WeakPolarHBondContact O-CD1 3.32Å; L827-L831 WeakPolarHBondContact O-CG 3.33Å; L827-L831 PolarHBondContact O-N 3.36Å; S829-L831 PolarHBondContact O-N 3.48Å; L831-R835 WeakPolarHBondContact O-CG 3.29Å; L831-L849 HydrophobicContact CD2-CD2 3.69Å; L831-I945 HydrophobicContact CD1-CG1 4.37Å; L831-L948 HydrophobicContact CD2-CD2 4.39Å
832	R	93.3	Very high	88.8	Confident	115 Å²	115	53.9 Å²	53.9	43%	0.434	31%	0.308	S	S	.	.	H	α-helix	trans	-85.4	-34.2	179	-69.8	172.4	67.8	-158.3	1.7	113	K828 S829 F830 R835	K828-R832 WeakPolarHBondContact O-CD 3.48Å; K828-R832 VanDerWaalsContact O-CG 3.26Å; K828-R832 WeakPolarHBondContact O-CG 3.16Å; K828-R832 PolarHBondContact O-N 3.17Å; S829-R832 PolarHBondContact O-N 2.97Å; F830-R832 VanDerWaalsContact C-N 3.25Å; F830-R832 PolarHBondContact O-N 3.4Å; R832-R835 WeakPolarHBondContact O-CG 3.24Å
833	E	90.9	Very high	88.1	Confident	146 Å²	146	54.3 Å²	54.3	68%	0.682	31%	0.313	S	S	*	.	H	α-helix	trans	-77.7	-36.7	178.3	-70.6	177.2	-168	0	0	111.8	S829 F830 R835	S829-E833 WeakPolarHBondContact O-CG 3.28Å; S829-E833 PolarHBondContact O-N 3.11Å; F830-E833 PolarHBondContact O-N 3.21Å; E833-R835 PolarHBondContact O-N 3.2Å
834	T	91.6	Very high	87.9	Confident	30 Å²	30	51.5 Å²	51.5	18%	0.184	29%	0.288	C	S	.	.	S	Bend	trans	-94.4	17	-173.9	-34.5	0	0	0	0	113.2	F830 S843 L844	F830-T834 WeakPolarHBondContact CD2-OG1 3.11Å; F830-T834 HydrophobicContact CE2-CG2 4.15Å; F830-T834 VanDerWaalsContact CE2-OG1 3.27Å; F830-T834 WeakPolarHBondContact CE2-OG1 3.09Å; F830-T834 HydrophobicContact CZ-CG2 4.14Å; F830-T834 VanDerWaalsContact O-CB 3.25Å; F830-T834 WeakPolarHBondContact O-CB 3.16Å; F830-T834 PolarHBondContact O-N 2.85Å; F830-T834 PolarHBondContact O-OG1 3.18Å; T834-S843 WeakPolarHBondContact O-CB 3.31Å; T834-S843 PolarHBondContact O-OG 3.03Å; T834-L844 HydrophobicContact CG2-CD1 4.35Å; T834-L844 HydrophobicContact CG2-CD2 4.42Å; T834-L844 HydrophobicContact CG2-CG 3.97Å
835	R	91.8	Very high	88	Confident	27 Å²	27	53.1 Å²	53.1	10%	0.102	30%	0.3	C	S	.	.			trans	-58.7	136	177.1	-69.3	-176.7	173.2	-175.3	-3.3	111.5	L831 R832 E833 R837 S843 L948 E1023	L831-R835 WeakPolarHBondContact O-CG 3.29Å; R832-R835 WeakPolarHBondContact O-CG 3.24Å; E833-R835 PolarHBondContact O-N 3.2Å; R835-R837 PolarHBondContact O-N 3.25Å; R835-S843 PolarHBondContact O-OG 3.03Å; R835-L948 HydrophobicContact CG-CB 4.04Å; R835-L948 HydrophobicContact CG-CD1 4.26Å; R835-L948 VanDerWaalsContact CZ-O 3.27Å; R835-L948 PolarHBondContact NE-O 3.21Å; R835-L948 PolarHBondContact NH2-O 3.49Å; R835-E1023 WeakPolarHBondContact CD-OE1 3.43Å; R835-E1023 WeakPolarHBondContact CD-OE2 3.36Å; R835-E1023 IonicContact CZ-OE1 3.08Å; R835-E1023 IonicContact NE-OE1 3.37Å; R835-E1023 IonicContact NH1-OE1 3.81Å; R835-E1023 PolarHBondContact NH1-OE1 3.3Å
836	P	89.1	Confident	88.1	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.013	28%	0.282	C	S	.	.			trans	-57.3	126.2	172.2	-26.7	36.9	0	0	0	111.3	S843 L1020 I1022 E1023	P836-S843 WeakPolarHBondContact CA-OG 3.47Å; P836-L1020 HydrophobicContact CG-CB 3.96Å; P836-L1020 HydrophobicContact CG-CD1 4.31Å; P836-I1022 HydrophobicContact CB-CG1 4.48Å; P836-I1022 WeakPolarHBondContact O-CA 3.41Å; P836-E1023 PolarHBondContact O-N 2.84Å
837	R	86.3	Confident	88.3	Confident	93 Å²	93	52.4 Å²	52.4	35%	0.351	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-131	161.5	-177.3	-76.8	175.3	-179.3	153.2	9.9	110.1	R835 S839 Q840 P841 E1023	R835-R837 PolarHBondContact O-N 3.25Å; R837-S839 PolarHBondContact O-N 2.93Å; R837-Q840 PolarHBondContact N-O 3.01Å; R837-Q840 VanDerWaalsContact N-O 3.09Å; R837-Q840 CarbonylContact O-C 2.95Å; R837-Q840 WeakPolarHBondContact O-CA 3.34Å; R837-Q840 PolarHBondContact O-N 3.38Å; R837-P841 WeakPolarHBondContact O-CA 3.32Å; R837-E1023 HydrophobicContact CG-CB 4.29Å; R837-E1023 IonicContact CZ-OE2 2.62Å; R837-E1023 IonicContact NE-OE2 2.75Å; R837-E1023 PolarHBondContact NE-OE2 3.47Å; R837-E1023 IonicContact NH2-OE2 2.94Å; R837-E1023 PolarHBondContact NH2-OE2 2.92Å
838	P	81	Confident	88.3	Confident	58 Å²	58	54.3 Å²	54.3	38%	0.377	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-28.8	178.2	-28.6	36.3	0	0	0	114.8	I1022 E1023 Y1024 L1027	P838-I1022 HydrophobicContact CG-CG2 4.1Å; P838-E1023 WeakPolarHBondContact CD-O 3.36Å; P838-Y1024 HydrophobicContact CG-CD1 4.14Å; P838-Y1024 HydrophobicContact CG-CE1 4.37Å; P838-L1027 HydrophobicContact CB-CD2 4.17Å
839	S	76.5	Confident	88.4	Confident	88 Å²	88	52.8 Å²	52.8	62%	0.615	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-17.5	174.9	52.4	0	0	0	0	114.7	R837	R837-S839 PolarHBondContact O-N 2.93Å
840	Q	75.8	Confident	88.7	Confident	124 Å²	124	51 Å²	51	58%	0.579	28%	0.278	S	S	*	.	B	Isolated β-bridge	trans	-145.1	73.1	178.4	-63.9	-172.6	11.4	0	0	109.3	R837 S842	R837-Q840 PolarHBondContact N-O 3.01Å; R837-Q840 VanDerWaalsContact N-O 3.09Å; R837-Q840 CarbonylContact O-C 2.95Å; R837-Q840 WeakPolarHBondContact O-CA 3.34Å; R837-Q840 PolarHBondContact O-N 3.38Å; Q840-S842 PolarHBondContact O-N 3.06Å; Q840-S842 VanDerWaalsContact O-N 3.16Å
841	P	71	Confident	88.8	Confident	76 Å²	76	53.6 Å²	53.6	49%	0.494	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-0.9	-170.4	30.4	-37.2	0	0	0	114.2	R837 I1022	R837-P841 WeakPolarHBondContact O-CA 3.32Å; P841-I1022 HydrophobicContact CB-CD1 4.41Å
842	S	77.1	Confident	88.9	Confident	109 Å²	109	53.9 Å²	53.9	76%	0.762	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141	39	-176.2	-48.8	0	0	0	0	111.5	Q840 L844	Q840-S842 PolarHBondContact O-N 3.06Å; Q840-S842 VanDerWaalsContact O-N 3.16Å; S842-L844 VanDerWaalsContact C-N 3.31Å
843	S	80.6	Confident	89.2	Confident	25 Å²	25	48.4 Å²	48.4	18%	0.175	27%	0.271	C	S	.	.	S	Bend	trans	-71.1	-25.7	176.4	56.6	0	0	0	0	113.3	T834 R835 P836	T834-S843 WeakPolarHBondContact O-CB 3.31Å; T834-S843 PolarHBondContact O-OG 3.03Å; R835-S843 PolarHBondContact O-OG 3.03Å; P836-S843 WeakPolarHBondContact CA-OG 3.47Å
844	L	90.4	Very high	89.5	Confident	10 Å²	10	44.8 Å²	44.8	5%	0.052	25%	0.251	C	S	.	.			trans	-143.9	152.7	173.3	-74.7	172.2	0	0	0	109.6	F830 T834 S842 D848 L849 L948 L1020	F830-L844 HydrophobicContact CE1-CD1 4.44Å; F830-L844 HydrophobicContact CE1-CD2 3.97Å; F830-L844 HydrophobicContact CZ-CD2 3.92Å; T834-L844 HydrophobicContact CG2-CD1 4.35Å; T834-L844 HydrophobicContact CG2-CD2 4.42Å; T834-L844 HydrophobicContact CG2-CG 3.97Å; S842-L844 VanDerWaalsContact C-N 3.31Å; L844-D848 HydrophobicContact CD2-CB 3.76Å; L844-L849 HydrophobicContact CD1-CD2 4.33Å; L844-L948 HydrophobicContact CD1-CD2 4.13Å; L844-L1020 HydrophobicContact CB-CD1 3.84Å
845	A	93.4	Very high	89.8	Confident	47 Å²	47	43.9 Å²	43.9	39%	0.388	25%	0.245	S	C	.	.			trans	-123.4	170.6	168.6	0	0	0	0	0	111.4	L847 D848	A845-L847 PolarHBondContact O-N 2.68Å; A845-D848 PolarHBondContact N-OD2 3.2Å; A845-D848 WeakPolarHBondContact O-CB 3.36Å; A845-D848 PolarHBondContact O-N 3.28Å; A845-D848 VanDerWaalsContact O-N 3.16Å
846	M	95	Very high	90.2	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-56.4	-36.9	174.7	-71	-84.9	73.8	0	0	112.5	D848 L849 L850 F946 P978 V1015 T1018 L1020	M846-D848 VanDerWaalsContact C-N 3.33Å; M846-D848 PolarHBondContact O-N 3.37Å; M846-L849 HydrophobicContact CE-CD1 3.77Å; M846-L849 PolarHBondContact O-N 2.8Å; M846-L849 VanDerWaalsContact O-N 3.13Å; M846-L850 WeakPolarHBondContact O-CG 3.33Å; M846-L850 PolarHBondContact O-N 2.95Å; M846-F946 HydrophobicContact CE-CD1 3.54Å; M846-F946 HydrophobicContact CE-CE1 3.62Å; M846-F946 HydrophobicContact SD-CD1 4.31Å; M846-F946 HydrophobicContact SD-CE1 4.14Å; M846-P978 WeakPolarHBondContact SD-CD 3.35Å; M846-P978 HydrophobicContact SD-CG 3.62Å; M846-V1015 WeakPolarHBondContact CG-O 3.35Å; M846-T1018 WeakPolarHBondContact CG-O 3.5Å; M846-T1018 HydrophobicContact SD-CG2 4.3Å; M846-L1020 HydrophobicContact CE-CD2 3.42Å; M846-L1020 VanDerWaalsContact CE-CD2 3.42Å; M846-L1020 HydrophobicContact CE-CG 3.89Å
847	L	95.5	Very high	90.6	Very high	66 Å²	66	42.5 Å²	42.5	35%	0.346	24%	0.24	S	C	.	.	H	α-helix	trans	-63.4	-34.8	179.1	-174	60	0	0	0	113	A845 L849 H851 T1010 I1016	A845-L847 PolarHBondContact O-N 2.68Å; L847-L849 VanDerWaalsContact C-N 3.31Å; L847-L849 PolarHBondContact O-N 2.66Å; L847-H851 WeakPolarHBondContact O-CB 3.48Å; L847-H851 PolarHBondContact O-N 2.91Å; L847-H851 PolarHBondContact O-ND1 2.81Å; L847-T1010 HydrophobicContact CD1-CG2 3.7Å; L847-I1016 HydrophobicContact CD1-CG2 4.5Å
848	D	96.2	Very high	91.2	Very high	40 Å²	40	39.3 Å²	39.3	21%	0.214	23%	0.232	C	C	.	.	H	α-helix	trans	-62.7	-40.5	173.6	-65.8	-75.3	0	0	0	111.3	L844 A845 M846 V852 R887	L844-D848 HydrophobicContact CD2-CB 3.76Å; A845-D848 PolarHBondContact N-OD2 3.2Å; A845-D848 WeakPolarHBondContact O-CB 3.36Å; A845-D848 PolarHBondContact O-N 3.28Å; A845-D848 VanDerWaalsContact O-N 3.16Å; M846-D848 VanDerWaalsContact C-N 3.33Å; M846-D848 PolarHBondContact O-N 3.37Å; D848-V852 WeakPolarHBondContact O-CG2 3.39Å; D848-V852 PolarHBondContact O-N 2.85Å; D848-V852 VanDerWaalsContact O-N 3.09Å; D848-R887 IonicContact OD1-CZ 3.65Å; D848-R887 IonicContact OD1-NH1 3.67Å; D848-R887 PolarHBondContact OD1-NH1 2.94Å
849	L	97.9	Very high	92	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-72.7	-39.6	-178.7	-58.9	-165	0	0	0	112	L831 L844 M846 L847 V852 A853 I945 F946 L948 L1020	L831-L849 HydrophobicContact CD2-CD2 3.69Å; L844-L849 HydrophobicContact CD1-CD2 4.33Å; M846-L849 HydrophobicContact CE-CD1 3.77Å; M846-L849 PolarHBondContact O-N 2.8Å; M846-L849 VanDerWaalsContact O-N 3.13Å; L847-L849 VanDerWaalsContact C-N 3.31Å; L847-L849 PolarHBondContact O-N 2.66Å; L849-V852 PolarHBondContact O-N 2.98Å; L849-A853 WeakPolarHBondContact O-CB 3.37Å; L849-A853 PolarHBondContact O-N 2.84Å; L849-I945 HydrophobicContact CB-CG2 3.71Å; L849-I945 HydrophobicContact CD1-CG2 4.36Å; L849-I945 HydrophobicContact CD2-CG2 4.1Å; L849-I945 HydrophobicContact CG-CG2 4.26Å; L849-F946 HydrophobicContact CB-CD1 4.43Å; L849-F946 HydrophobicContact CB-CE1 3.98Å; L849-F946 HydrophobicContact CB-CE2 4.32Å; L849-F946 HydrophobicContact CB-CZ 3.9Å; L849-F946 HydrophobicContact CD1-CD1 4.16Å; L849-F946 HydrophobicContact CD1-CE1 4.45Å; L849-F946 HydrophobicContact CD1-CG 4.47Å; L849-L948 HydrophobicContact CD1-CD2 3.84Å; L849-L948 HydrophobicContact CD2-CD2 4.26Å; L849-L1020 HydrophobicContact CD1-CD1 4.23Å; L849-L1020 HydrophobicContact CD1-CD2 3.9Å
850	L	97.7	Very high	93	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-63.4	-41.2	173.2	-73.9	163.1	0	0	0	111.9	M846 A853 R854 F946 V981 I1006 C1009 V1015 I1016	M846-L850 WeakPolarHBondContact O-CG 3.33Å; M846-L850 PolarHBondContact O-N 2.95Å; L850-A853 PolarHBondContact O-N 2.94Å; L850-R854 WeakPolarHBondContact O-CB 3.33Å; L850-R854 PolarHBondContact O-N 2.99Å; L850-F946 HydrophobicContact CD2-CZ 3.87Å; L850-F946 HydrophobicContact CG-CE1 4.49Å; L850-F946 HydrophobicContact CG-CZ 3.96Å; L850-V981 HydrophobicContact CD2-CG2 4.18Å; L850-I1006 HydrophobicContact CD2-CG2 4.24Å; L850-C1009 WeakPolarHBondContact CD1-O 3.45Å; L850-C1009 HydrophobicContact CD2-CB 3.7Å; L850-V1015 HydrophobicContact CD1-CG1 4.06Å; L850-I1016 HydrophobicContact CD1-CG2 3.92Å
851	H	98	Very high	94	Very high	65 Å²	65	29 Å²	29	30%	0.301	17%	0.169	S	C	.	.	H	α-helix	trans	-61.8	-46.4	173.5	-73.1	164.1	0	0	0	112.5	L847 A853 R854 D855	L847-H851 WeakPolarHBondContact O-CB 3.48Å; L847-H851 PolarHBondContact O-N 2.91Å; L847-H851 PolarHBondContact O-ND1 2.81Å; H851-A853 VanDerWaalsContact C-N 3.33Å; H851-A853 PolarHBondContact O-N 2.9Å; H851-R854 PolarHBondContact CD2-NH1 3.27Å; H851-R854 PolarHBondContact O-N 3.37Å; H851-D855 VanDerWaalsContact O-CB 3.28Å; H851-D855 WeakPolarHBondContact O-CB 3.48Å; H851-D855 PolarHBondContact O-N 3.33Å
852	V	98.3	Very high	95.2	Very high	6 Å²	6	27.1 Å²	27.1	4%	0.036	15%	0.152	C	C	.	.	H	α-helix	trans	-61.1	-41.3	175.3	168.4	0	0	0	0	111.7	L827 D848 L849 D855 I856 L880 A889 I945	L827-V852 HydrophobicContact CD1-CG1 3.67Å; L827-V852 HydrophobicContact CD1-CG2 4.48Å; L827-V852 HydrophobicContact CD2-CG1 3.51Å; L827-V852 HydrophobicContact CG-CG1 4.25Å; D848-V852 WeakPolarHBondContact O-CG2 3.39Å; D848-V852 PolarHBondContact O-N 2.85Å; D848-V852 VanDerWaalsContact O-N 3.09Å; L849-V852 PolarHBondContact O-N 2.98Å; V852-D855 PolarHBondContact O-N 2.88Å; V852-I856 PolarHBondContact O-N 2.87Å; V852-I856 VanDerWaalsContact O-N 3.14Å; V852-L880 HydrophobicContact CG2-CD2 4.24Å; V852-A889 HydrophobicContact CB-CB 4.41Å; V852-A889 HydrophobicContact CG1-CB 3.99Å; V852-A889 HydrophobicContact CG2-CB 4.41Å; V852-I945 HydrophobicContact CG1-CD1 3.91Å; V852-I945 HydrophobicContact CG1-CG1 4.26Å
853	A	98.4	Very high	96	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.7	-48.5	177.2	0	0	0	0	0	112.1	L849 L850 H851 D855 I856 A857 F938 L942 I945 F946 I1006	L849-A853 WeakPolarHBondContact O-CB 3.37Å; L849-A853 PolarHBondContact O-N 2.84Å; L850-A853 PolarHBondContact O-N 2.94Å; H851-A853 VanDerWaalsContact C-N 3.33Å; H851-A853 PolarHBondContact O-N 2.9Å; A853-D855 PolarHBondContact O-N 2.8Å; A853-I856 PolarHBondContact O-N 2.85Å; A853-A857 WeakPolarHBondContact O-CB 3.29Å; A853-A857 PolarHBondContact O-N 3.4Å; A853-F938 WeakPolarHBondContact O-CZ 3.36Å; A853-L942 HydrophobicContact CB-CD2 3.58Å; A853-I945 HydrophobicContact CB-CD1 4.26Å; A853-F946 HydrophobicContact CB-CE2 4.45Å; A853-I1006 HydrophobicContact CB-CD1 4.14Å
854	R	98.6	Very high	96.5	Very high	71 Å²	71	22.7 Å²	22.7	27%	0.268	12%	0.117	S	C	.	.	H	α-helix	trans	-57.7	-47.9	175.1	-178.6	-157.8	62.9	-146.2	-10.3	111	L850 H851 I856 A857 C858 L1003 I1006	L850-R854 WeakPolarHBondContact O-CB 3.33Å; L850-R854 PolarHBondContact O-N 2.99Å; H851-R854 PolarHBondContact CD2-NH1 3.27Å; H851-R854 PolarHBondContact O-N 3.37Å; R854-I856 PolarHBondContact O-N 2.93Å; R854-A857 WeakPolarHBondContact O-CB 3.47Å; R854-A857 PolarHBondContact O-N 3.47Å; R854-A857 VanDerWaalsContact O-N 3.14Å; R854-C858 PolarHBondContact O-N 3.14Å; R854-C858 PolarHBondContact O-SG 3.49Å; R854-C858 VanDerWaalsContact O-SG 3.37Å; R854-L1003 HydrophobicContact CB-CD2 4.49Å; R854-L1003 HydrophobicContact CG-CD2 3.77Å; R854-I1006 HydrophobicContact CB-CG2 3.85Å
855	D	98.4	Very high	96.6	Very high	11 Å²	11	27.9 Å²	27.9	6%	0.059	14%	0.141	C	C	.	.	H	α-helix	trans	-57.4	-48.4	-178.5	-79.8	10.2	0	0	0	111.8	N801 H851 V852 A853 C858 G859 V888 A889	N801-D855 WeakPolarHBondContact CB-O 3.33Å; N801-D855 WeakPolarHBondContact ND2-CB 3.35Å; N801-D855 PolarHBondContact ND2-O 3.12Å; N801-D855 PolarHBondContact OD1-O 3.48Å; H851-D855 VanDerWaalsContact O-CB 3.28Å; H851-D855 WeakPolarHBondContact O-CB 3.48Å; H851-D855 PolarHBondContact O-N 3.33Å; V852-D855 PolarHBondContact O-N 2.88Å; A853-D855 PolarHBondContact O-N 2.8Å; D855-C858 PolarHBondContact O-N 3.49Å; D855-G859 PolarHBondContact O-N 2.97Å; D855-G859 VanDerWaalsContact O-N 3.16Å; D855-V888 WeakPolarHBondContact OD2-CA 3.4Å; D855-A889 HydrophobicContact CB-CB 3.83Å; D855-A889 PolarHBondContact OD2-N 3.45Å
856	I	98.6	Very high	96.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-70.3	-34	176.1	-58.2	-60	0	0	0	111.8	V852 A853 R854 C858 G859 C860 C878 A889 I891 F938 L941	V852-I856 PolarHBondContact O-N 2.87Å; V852-I856 VanDerWaalsContact O-N 3.14Å; A853-I856 PolarHBondContact O-N 2.85Å; R854-I856 PolarHBondContact O-N 2.93Å; I856-C858 PolarHBondContact O-N 3.14Å; I856-G859 CarbonylContact O-C 3.57Å; I856-G859 WeakPolarHBondContact O-CA 3.43Å; I856-G859 PolarHBondContact O-N 2.87Å; I856-C860 PolarHBondContact O-N 3.47Å; I856-C860 PolarHBondContact O-SG 2.73Å; I856-C878 HydrophobicContact CD1-CB 3.98Å; I856-C878 HydrophobicContact CG1-CB 4.39Å; I856-A889 HydrophobicContact CD1-CB 3.76Å; I856-A889 HydrophobicContact CG1-CB 3.89Å; I856-I891 HydrophobicContact CD1-CG1 4.28Å; I856-I891 HydrophobicContact CG2-CG1 4.24Å; I856-F938 HydrophobicContact CB-CE2 4.27Å; I856-F938 HydrophobicContact CG2-CD2 4.33Å; I856-F938 HydrophobicContact CG2-CE2 4.22Å; I856-L941 HydrophobicContact CB-CD2 4.08Å; I856-L941 HydrophobicContact CG1-CD2 4.39Å; I856-L941 HydrophobicContact CG2-CD2 3.52Å
857	A	98.5	Very high	95.7	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.4	-40	174.5	0	0	0	0	0	112.5	A853 R854 G859 C860 Q861 F938 F999 I1002 L1003 I1006	A853-A857 WeakPolarHBondContact O-CB 3.29Å; A853-A857 PolarHBondContact O-N 3.4Å; R854-A857 WeakPolarHBondContact O-CB 3.47Å; R854-A857 PolarHBondContact O-N 3.47Å; R854-A857 VanDerWaalsContact O-N 3.14Å; A857-G859 VanDerWaalsContact C-N 3.3Å; A857-G859 PolarHBondContact O-N 3.49Å; A857-C860 PolarHBondContact O-N 3.44Å; A857-Q861 PolarHBondContact O-N 2.93Å; A857-F938 HydrophobicContact CB-CE1 4.4Å; A857-F938 HydrophobicContact CB-CE2 3.87Å; A857-F938 HydrophobicContact CB-CZ 3.69Å; A857-F999 HydrophobicContact CB-CD1 4.47Å; A857-I1002 HydrophobicContact CB-CG2 4.16Å; A857-L1003 HydrophobicContact CB-CD2 3.61Å; A857-L1003 HydrophobicContact CB-CG 3.84Å; A857-I1006 HydrophobicContact CB-CD1 4.06Å
858	C	98.3	Very high	95.2	Very high	26 Å²	26	29.9 Å²	29.9	18%	0.176	14%	0.141	C	C	.	.	H	α-helix	trans	-61	-40	170.1	-66.4	0	0	0	0	111.4	H799 N801 R854 D855 I856 C860 Y862 L1003	H799-C858 VanDerWaalsContact CE1-C 3.45Å; H799-C858 PolarHBondContact CE1-O 3.31Å; H799-C858 VanDerWaalsContact CE1-O 3.24Å; N801-C858 WeakPolarHBondContact OD1-CB 3.2Å; R854-C858 PolarHBondContact O-N 3.14Å; R854-C858 PolarHBondContact O-SG 3.49Å; R854-C858 VanDerWaalsContact O-SG 3.37Å; D855-C858 PolarHBondContact O-N 3.49Å; I856-C858 PolarHBondContact O-N 3.14Å; C858-C860 VanDerWaalsContact C-N 3.33Å; C858-C860 PolarHBondContact O-N 2.9Å; C858-Y862 PolarHBondContact O-N 2.83Å; C858-L1003 VanDerWaalsContact SG-CD2 3.52Å
859	G	97.3	Very high	94.8	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-57.6	-44.4	172.5	0	0	0	0	0	112.7	D855 I856 A857 L863	D855-G859 PolarHBondContact O-N 2.97Å; D855-G859 VanDerWaalsContact O-N 3.16Å; I856-G859 CarbonylContact O-C 3.57Å; I856-G859 WeakPolarHBondContact O-CA 3.43Å; I856-G859 PolarHBondContact O-N 2.87Å; A857-G859 VanDerWaalsContact C-N 3.3Å; A857-G859 PolarHBondContact O-N 3.49Å; G859-L863 PolarHBondContact O-N 2.93Å
860	C	97.7	Very high	94.4	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.02	13%	0.132	C	C	.	.	H	α-helix	trans	-74.5	-37.5	-179.3	-58.8	0	0	0	0	112.9	I856 A857 C858 Y862 L863 E864 F999	I856-C860 PolarHBondContact O-N 3.47Å; I856-C860 PolarHBondContact O-SG 2.73Å; A857-C860 PolarHBondContact O-N 3.44Å; C858-C860 VanDerWaalsContact C-N 3.33Å; C858-C860 PolarHBondContact O-N 2.9Å; C860-Y862 VanDerWaalsContact C-N 3.29Å; C860-Y862 PolarHBondContact O-N 3.43Å; C860-L863 PolarHBondContact O-N 2.82Å; C860-E864 PolarHBondContact O-N 3.34Å; C860-F999 HydrophobicContact CB-CD1 3.45Å; C860-F999 VanDerWaalsContact CB-CD1 3.45Å; C860-F999 HydrophobicContact CB-CD2 3.81Å; C860-F999 HydrophobicContact CB-CE1 3.27Å; C860-F999 HydrophobicContact CB-CE2 3.66Å; C860-F999 HydrophobicContact CB-CG 3.72Å; C860-F999 HydrophobicContact CB-CZ 3.38Å
861	Q	97.8	Very high	94	Very high	50 Å²	50	29.3 Å²	29.3	23%	0.234	14%	0.136	C	C	.	.	H	α-helix	trans	-55.5	-46.4	172.3	-176.1	-172.6	-5	0	0	110.8	A857 L863 E864 E865 F999 L1003	A857-Q861 PolarHBondContact O-N 2.93Å; Q861-L863 VanDerWaalsContact C-N 3.26Å; Q861-L863 PolarHBondContact O-N 3.02Å; Q861-E864 PolarHBondContact O-N 3.24Å; Q861-E865 HydrophobicContact CG-CG 4.28Å; Q861-E865 WeakPolarHBondContact CG-OE1 3.49Å; Q861-E865 PolarHBondContact NE2-OE1 3.43Å; Q861-E865 WeakPolarHBondContact O-CB 3.46Å; Q861-E865 WeakPolarHBondContact O-CG 3.21Å; Q861-E865 PolarHBondContact O-N 3.2Å; Q861-F999 HydrophobicContact CB-CB 3.73Å; Q861-F999 HydrophobicContact CG-CB 4.39Å; Q861-L1003 HydrophobicContact CB-CD1 4.2Å
862	Y	96	Very high	93.6	Very high	37 Å²	37	26.9 Å²	26.9	15%	0.145	13%	0.125	C	C	.	.	H	α-helix	trans	-61	-33.7	177.5	174.1	-95.1	0	0	0	112.6	F797 N798 H799 I802 C858 C860 N866	F797-Y862 HydrophobicContact CB-CE1 4.1Å; F797-Y862 AromaticContact CD1-CE1 3.83Å; F797-Y862 HydrophobicContact CD1-CE1 3.83Å; F797-Y862 HydrophobicContact CG-CE1 4.29Å; N798-Y862 PolarHBondContact N-OH 2.83Å; H799-Y862 HydrophobicContact CB-CD1 3.59Å; H799-Y862 HydrophobicContact CB-CD2 3.85Å; H799-Y862 HydrophobicContact CB-CE1 3.81Å; H799-Y862 HydrophobicContact CB-CE2 4.08Å; H799-Y862 HydrophobicContact CB-CG 3.6Å; H799-Y862 AromaticContact CG-CG 3.71Å; I802-Y862 HydrophobicContact CD1-CD1 3.55Å; I802-Y862 HydrophobicContact CD1-CE1 3.87Å; C858-Y862 PolarHBondContact O-N 2.83Å; C860-Y862 VanDerWaalsContact C-N 3.29Å; C860-Y862 PolarHBondContact O-N 3.43Å; Y862-N866 WeakPolarHBondContact CE2-ND2 3.5Å; Y862-N866 WeakPolarHBondContact O-CB 3.39Å; Y862-N866 PolarHBondContact O-N 3.33Å; Y862-N866 PolarHBondContact O-ND2 3.09Å
863	L	92.9	Very high	93.5	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-72.3	-42.2	174.3	-61.2	179.7	0	0	0	111.9	F797 I802 G859 C860 Q861 N866 H867 F868 H870 I891 F894	F797-L863 HydrophobicContact CD1-CD2 4.16Å; F797-L863 HydrophobicContact CE1-CD2 3.74Å; F797-L863 HydrophobicContact CE2-CD2 4.24Å; F797-L863 HydrophobicContact CZ-CD2 3.81Å; I802-L863 HydrophobicContact CD1-CD2 3.77Å; I802-L863 HydrophobicContact CD1-CG 4.26Å; G859-L863 PolarHBondContact O-N 2.93Å; C860-L863 PolarHBondContact O-N 2.82Å; Q861-L863 VanDerWaalsContact C-N 3.26Å; Q861-L863 PolarHBondContact O-N 3.02Å; L863-N866 CarbonylContact O-C 3.56Å; L863-N866 PolarHBondContact O-N 2.91Å; L863-H867 PolarHBondContact O-N 2.96Å; L863-H867 VanDerWaalsContact O-N 3.1Å; L863-F868 CarbonylContact C-O 3.57Å; L863-F868 HydrophobicContact CD2-CD1 3.96Å; L863-F868 PolarHBondContact O-N 2.85Å; L863-H870 HydrophobicContact CD1-CB 4.17Å; L863-I891 HydrophobicContact CD1-CD1 4.01Å; L863-F894 HydrophobicContact CD1-CE1 4.1Å; L863-F894 HydrophobicContact CD2-CE1 4.29Å
864	E	92.3	Very high	93.4	Very high	39 Å²	39	26.7 Å²	26.7	18%	0.182	12%	0.124	C	C	.	.	H	α-helix	trans	-58.5	-49.2	174.9	176.6	170.7	-146.7	0	0	111.7	C860 Q861 N866 H867 N998 F999	C860-E864 PolarHBondContact O-N 3.34Å; Q861-E864 PolarHBondContact O-N 3.24Å; E864-N866 VanDerWaalsContact C-N 3.28Å; E864-N866 PolarHBondContact O-N 3.44Å; E864-H867 PolarHBondContact O-N 3.45Å; E864-H867 VanDerWaalsContact O-N 3.09Å; E864-H867 PolarHBondContact O-ND1 2.82Å; E864-N998 WeakPolarHBondContact OE1-CB 3.18Å; E864-F999 HydrophobicContact CB-CD2 4.29Å; E864-F999 WeakPolarHBondContact OE2-CD2 3.4Å; E864-F999 PolarHBondContact OE2-N 2.85Å
865	E	91.7	Very high	93.3	Very high	119 Å²	119	23.3 Å²	23.3	56%	0.556	11%	0.111	S	C	*	.	H	α-helix	trans	-64.8	-28.3	178.2	-72.5	178.6	177.5	0	0	113.5	Q861	Q861-E865 HydrophobicContact CG-CG 4.28Å; Q861-E865 WeakPolarHBondContact CG-OE1 3.49Å; Q861-E865 PolarHBondContact NE2-OE1 3.43Å; Q861-E865 WeakPolarHBondContact O-CB 3.46Å; Q861-E865 WeakPolarHBondContact O-CG 3.21Å; Q861-E865 PolarHBondContact O-N 3.2Å
866	N	87	Confident	93.1	Very high	43 Å²	43	26.9 Å²	26.9	23%	0.23	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	13.7	175.3	-71.3	-97.9	0	0	0	113.1	F721 Y862 L863 E864 F868	F721-N866 HydrophobicContact CE2-CB 3.91Å; F721-N866 HydrophobicContact CZ-CB 3.59Å; Y862-N866 WeakPolarHBondContact CE2-ND2 3.5Å; Y862-N866 WeakPolarHBondContact O-CB 3.39Å; Y862-N866 PolarHBondContact O-N 3.33Å; Y862-N866 PolarHBondContact O-ND2 3.09Å; L863-N866 CarbonylContact O-C 3.56Å; L863-N866 PolarHBondContact O-N 2.91Å; E864-N866 VanDerWaalsContact C-N 3.28Å; E864-N866 PolarHBondContact O-N 3.44Å; N866-F868 PolarHBondContact O-N 2.97Å
867	H	83.1	Confident	92.9	Very high	114 Å²	114	28 Å²	28	53%	0.528	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	43.8	175	-60.6	-24	0	0	0	114.1	L863 E864 I900	L863-H867 PolarHBondContact O-N 2.96Å; L863-H867 VanDerWaalsContact O-N 3.1Å; E864-H867 PolarHBondContact O-N 3.45Å; E864-H867 VanDerWaalsContact O-N 3.09Å; E864-H867 PolarHBondContact O-ND1 2.82Å; H867-I900 HydrophobicContact CB-CD1 4.02Å; H867-I900 VanDerWaalsContact O-CG1 3.27Å; H867-I900 WeakPolarHBondContact O-CG1 3.4Å; H867-I900 PolarHBondContact O-N 2.99Å
868	F	84.6	Confident	92.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	136.5	-177.9	-169	-93.2	0	0	0	110.9	Y719 F721 I793 F797 L863 N866 F894 A897 D899	Y719-F868 VanDerWaalsContact OH-CE2 3.28Å; Y719-F868 WeakPolarHBondContact OH-CE2 3.48Å; F721-F868 HydrophobicContact CD2-CD2 4.44Å; F721-F868 HydrophobicContact CE2-CB 4.27Å; F721-F868 HydrophobicContact CE2-CD2 4.41Å; I793-F868 HydrophobicContact CD1-CZ 4.41Å; I793-F868 HydrophobicContact CG1-CZ 4.42Å; I793-F868 HydrophobicContact CG2-CE1 4.32Å; I793-F868 HydrophobicContact CG2-CE2 4.31Å; I793-F868 HydrophobicContact CG2-CZ 3.65Å; F797-F868 HydrophobicContact CE1-CD1 4.25Å; F797-F868 HydrophobicContact CE1-CG 4.24Å; F797-F868 HydrophobicContact CE2-CD1 4.49Å; F797-F868 HydrophobicContact CE2-CE1 4.08Å; F797-F868 HydrophobicContact CE2-CZ 4.41Å; F797-F868 AromaticContact CZ-CD1 3.59Å; F797-F868 HydrophobicContact CZ-CD1 3.59Å; F797-F868 HydrophobicContact CZ-CD2 4.16Å; F797-F868 AromaticContact CZ-CE1 3.48Å; F797-F868 HydrophobicContact CZ-CE1 3.48Å; F797-F868 VanDerWaalsContact CZ-CE1 3.48Å; F797-F868 HydrophobicContact CZ-CE2 4.12Å; F797-F868 AromaticContact CZ-CG 3.91Å; F797-F868 HydrophobicContact CZ-CG 3.91Å; F797-F868 AromaticContact CZ-CZ 3.79Å; F797-F868 HydrophobicContact CZ-CZ 3.79Å; L863-F868 CarbonylContact C-O 3.57Å; L863-F868 HydrophobicContact CD2-CD1 3.96Å; L863-F868 PolarHBondContact O-N 2.85Å; N866-F868 PolarHBondContact O-N 2.97Å; F868-F894 HydrophobicContact CE1-CD1 4.11Å; F868-F894 HydrophobicContact CE1-CE1 4.46Å; F868-A897 HydrophobicContact CE1-CB 3.43Å; F868-A897 VanDerWaalsContact CE1-CB 3.43Å; F868-A897 HydrophobicContact CZ-CB 3.66Å; F868-D899 HydrophobicContact CD2-CB 4.36Å
869	I	87.1	Confident	92.7	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	125.7	-177.2	-51.1	163.1	0	0	0	109.3	R871 A897 R898 I900 A903 F929 D934	I869-R871 HydrophobicContact CB-CG 4.33Å; I869-R871 HydrophobicContact CG2-CG 3.71Å; I869-A897 WeakPolarHBondContact O-CA 3.19Å; I869-R898 PolarHBondContact N-O 2.96Å; I869-R898 PolarHBondContact O-N 3.35Å; I869-I900 HydrophobicContact CD1-CD1 4.35Å; I869-I900 HydrophobicContact CD1-CG1 3.66Å; I869-I900 HydrophobicContact CG1-CD1 4.22Å; I869-I900 HydrophobicContact CG1-CG1 3.76Å; I869-A903 HydrophobicContact CD1-CB 4.3Å; I869-F929 HydrophobicContact CD1-CB 4.1Å; I869-F929 WeakPolarHBondContact CD1-O 3.42Å; I869-F929 HydrophobicContact CG2-CB 4.49Å; I869-D934 WeakPolarHBondContact CA-OD2 3.42Å; I869-D934 WeakPolarHBondContact CG2-OD2 3.37Å
870	H	91	Very high	92.7	Very high	3 Å²	3	29 Å²	29	1%	0.014	13%	0.134	C	C	.	.			trans	-75.3	-38.9	180	-166.6	-46.2	0	0	0	112.9	L863 D872 I873 I891 D893 A897 D934	L863-H870 HydrophobicContact CD1-CB 4.17Å; H870-D872 PolarHBondContact CE1-O 3.32Å; H870-D872 PolarHBondContact ND1-N 3.29Å; H870-D872 PolarHBondContact O-N 3.49Å; H870-D872 VanDerWaalsContact O-N 3.07Å; H870-I873 HydrophobicContact CB-CD1 3.74Å; H870-I873 HydrophobicContact CB-CG1 4.04Å; H870-I873 WeakPolarHBondContact CD2-CD1 3.35Å; H870-I891 VanDerWaalsContact CD2-CG2 3.43Å; H870-I891 WeakPolarHBondContact CD2-CG2 3.39Å; H870-I891 WeakPolarHBondContact NE2-CG2 3.48Å; H870-D893 PolarHBondContact CE1-O 3.06Å; H870-D893 PolarHBondContact NE2-O 2.93Å; H870-A897 WeakPolarHBondContact O-CA 3.34Å; H870-A897 WeakPolarHBondContact O-CB 3.27Å; H870-D934 PolarHBondContact N-OD1 2.84Å; H870-D934 PolarHBondContact N-OD2 2.78Å
871	R	88.2	Confident	92.5	Very high	28 Å²	28	30.9 Å²	30.9	11%	0.106	15%	0.145	C	C	.	.	S	Bend	trans	64	1	-178.8	-48.1	-174.5	171.8	-145.3	-4.2	116.1	I869 A903 F929 D934	I869-R871 HydrophobicContact CB-CG 4.33Å; I869-R871 HydrophobicContact CG2-CG 3.71Å; R871-A903 VanDerWaalsContact NH2-CA 3.34Å; R871-A903 VanDerWaalsContact NH2-CB 3.27Å; R871-A903 PolarHBondContact NH2-O 2.84Å; R871-F929 HydrophobicContact CB-CD1 4.07Å; R871-F929 HydrophobicContact CB-CE1 4.13Å; R871-F929 HydrophobicContact CG-CD1 3.62Å; R871-F929 HydrophobicContact CG-CE1 4.12Å; R871-F929 HydrophobicContact CG-CG 4.3Å; R871-F929 VanDerWaalsContact CZ-CG 3.43Å; R871-D934 PolarHBondContact N-OD1 2.8Å
872	D	89.8	Confident	92.3	Very high	13 Å²	13	30.4 Å²	30.4	7%	0.07	15%	0.146	C	C	.	.			trans	-155.4	55.5	178.6	-163	23.7	0	0	0	112.7	H870 A874 R876 N877 M896 P915	H870-D872 PolarHBondContact CE1-O 3.32Å; H870-D872 PolarHBondContact ND1-N 3.29Å; H870-D872 PolarHBondContact O-N 3.49Å; H870-D872 VanDerWaalsContact O-N 3.07Å; D872-A874 PolarHBondContact O-N 2.84Å; D872-A874 VanDerWaalsContact O-N 3.16Å; D872-R876 IonicContact OD1-CZ 3.76Å; D872-R876 IonicContact OD1-NH2 2.7Å; D872-R876 PolarHBondContact OD1-NH2 2.8Å; D872-R876 IonicContact OD2-CZ 2.85Å; D872-R876 IonicContact OD2-NE 3.39Å; D872-R876 IonicContact OD2-NH2 3.02Å; D872-R876 PolarHBondContact OD2-NH2 2.87Å; D872-N877 PolarHBondContact O-ND2 3.15Å; D872-N877 PolarHBondContact OD2-ND2 2.96Å; D872-M896 HydrophobicContact CB-CB 4.34Å; D872-P915 HydrophobicContact CB-CG 4.35Å; D872-P915 WeakPolarHBondContact OD1-CB 3.46Å
873	I	97.2	Very high	92.1	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	16%	0.163	C	C	.	.			trans	-72.6	104.1	170.7	-60.8	-65	0	0	0	108.9	H870 I891 W918 D934 F938 L941	H870-I873 HydrophobicContact CB-CD1 3.74Å; H870-I873 HydrophobicContact CB-CG1 4.04Å; H870-I873 WeakPolarHBondContact CD2-CD1 3.35Å; I873-I891 HydrophobicContact CD1-CD1 4.09Å; I873-W918 VanDerWaalsContact O-CD1 3.27Å; I873-D934 HydrophobicContact CG1-CB 4.21Å; I873-F938 HydrophobicContact CG2-CB 4.24Å; I873-F938 HydrophobicContact CG2-CD2 4.32Å; I873-L941 HydrophobicContact CG2-CB 4.2Å; I873-L941 HydrophobicContact CG2-CD2 3.65Å
874	A	96.4	Very high	91.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.177	C	C	.	.			trans	-148.5	156.1	-177.2	0	0	0	0	0	111.3	D872 R876 N877 C878 W918	D872-A874 PolarHBondContact O-N 2.84Å; D872-A874 VanDerWaalsContact O-N 3.16Å; A874-R876 HydrophobicContact CB-CG 3.97Å; A874-R876 PolarHBondContact O-N 2.9Å; A874-R876 VanDerWaalsContact O-N 3.13Å; A874-N877 PolarHBondContact O-N 2.71Å; A874-C878 PolarHBondContact O-N 2.68Å; A874-C878 PolarHBondContact O-SG 3.37Å; A874-W918 HydrophobicContact CB-CD2 4.13Å; A874-W918 HydrophobicContact CB-CG 4.11Å; A874-W918 HydrophobicContact CB-CZ2 4.35Å
875	A	96.4	Very high	91.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-62.8	-25.7	-175.2	0	0	0	0	0	113.4	L827 K828 N877 C878 L941 E944	L827-A875 WeakPolarHBondContact CB-O 3.41Å; L827-A875 HydrophobicContact CD2-CB 4.44Å; L827-A875 HydrophobicContact CG-CB 4.42Å; K828-A875 HydrophobicContact CB-CB 3.93Å; K828-A875 HydrophobicContact CG-CB 4.38Å; K828-A875 PolarHBondContact N-O 3.38Å; A875-N877 VanDerWaalsContact C-N 3.31Å; A875-N877 PolarHBondContact O-N 2.91Å; A875-C878 PolarHBondContact O-N 3.45Å; A875-L941 HydrophobicContact CB-CD1 3.83Å; A875-E944 HydrophobicContact CB-CB 3.97Å; A875-E944 HydrophobicContact CB-CG 4.42Å; A875-E944 WeakPolarHBondContact CB-OE2 3.49Å; A875-E944 PolarHBondContact N-OE2 3.04Å
876	R	92.8	Very high	91.7	Very high	87 Å²	87	35.2 Å²	35.2	33%	0.328	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-68.6	-24.4	174	58.9	171.1	-170.4	-79.2	1.1	114.3	D872 A874 W918	D872-R876 IonicContact OD1-CZ 3.76Å; D872-R876 IonicContact OD1-NH2 2.7Å; D872-R876 PolarHBondContact OD1-NH2 2.8Å; D872-R876 IonicContact OD2-CZ 2.85Å; D872-R876 IonicContact OD2-NE 3.39Å; D872-R876 IonicContact OD2-NH2 3.02Å; D872-R876 PolarHBondContact OD2-NH2 2.87Å; A874-R876 HydrophobicContact CB-CG 3.97Å; A874-R876 PolarHBondContact O-N 2.9Å; A874-R876 VanDerWaalsContact O-N 3.13Å; R876-W918 VanDerWaalsContact NH1-CZ3 3.26Å
877	N	94.1	Very high	92.1	Very high	23 Å²	23	34.5 Å²	34.5	12%	0.123	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-99.2	0.6	-178.8	-60.4	-15.6	0	0	0	111.9	D872 A874 A875 G892	D872-N877 PolarHBondContact O-ND2 3.15Å; D872-N877 PolarHBondContact OD2-ND2 2.96Å; A874-N877 PolarHBondContact O-N 2.71Å; A875-N877 VanDerWaalsContact C-N 3.31Å; A875-N877 PolarHBondContact O-N 2.91Å; N877-G892 PolarHBondContact O-N 2.9Å
878	C	96.7	Very high	92.8	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.014	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	130.5	176.6	-60.6	0	0	0	0	109.4	D826 L827 I856 A874 A875 K890	D826-C878 WeakPolarHBondContact CA-O 3.47Å; L827-C878 HydrophobicContact CB-CB 3.89Å; L827-C878 WeakPolarHBondContact CB-O 3.26Å; L827-C878 HydrophobicContact CD2-CB 3.81Å; L827-C878 PolarHBondContact N-O 2.7Å; I856-C878 HydrophobicContact CD1-CB 3.98Å; I856-C878 HydrophobicContact CG1-CB 4.39Å; A874-C878 PolarHBondContact O-N 2.68Å; A874-C878 PolarHBondContact O-SG 3.37Å; A875-C878 PolarHBondContact O-N 3.45Å; C878-K890 CarbonylContact C-O 3.56Å; C878-K890 WeakPolarHBondContact CA-O 3.34Å
879	L	96.1	Very high	93.5	Very high	46 Å²	46	31.5 Å²	31.5	24%	0.241	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	154.5	-179.4	-55.5	-176.4	0	0	0	111.3	V803 M822 G825 D826 K890	V803-L879 HydrophobicContact CG2-CD1 4.25Å; M822-L879 HydrophobicContact CB-CB 3.69Å; M822-L879 HydrophobicContact CB-CD1 3.99Å; M822-L879 HydrophobicContact CB-CG 4.47Å; M822-L879 VanDerWaalsContact CE-C 3.5Å; M822-L879 HydrophobicContact CE-CB 3.9Å; M822-L879 VanDerWaalsContact CE-O 3.28Å; M822-L879 WeakPolarHBondContact CE-O 3.16Å; M822-L879 HydrophobicContact CG-CB 3.77Å; M822-L879 HydrophobicContact CG-CD1 3.9Å; G825-L879 WeakPolarHBondContact O-CA 3.04Å; D826-L879 HydrophobicContact CB-CD2 3.9Å; L879-K890 PolarHBondContact N-O 2.93Å; L879-K890 PolarHBondContact O-N 2.7Å
880	L	97.1	Very high	94	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	137.8	-179.7	-69.5	166.4	0	0	0	112.1	M822 G824 G825 L827 F830 V852 C882 R887 A889	M822-L880 CarbonylContact C-O 3.58Å; M822-L880 VanDerWaalsContact C-O 3.26Å; M822-L880 VanDerWaalsContact CE-C 3.42Å; G824-L880 VanDerWaalsContact CA-O 3.27Å; G824-L880 WeakPolarHBondContact CA-O 3.08Å; G824-L880 PolarHBondContact N-O 3.17Å; G825-L880 PolarHBondContact O-N 2.79Å; L827-L880 HydrophobicContact CD1-CD1 4.04Å; L827-L880 HydrophobicContact CD1-CG 4.47Å; F830-L880 HydrophobicContact CB-CD1 3.61Å; F830-L880 HydrophobicContact CD1-CD1 3.32Å; F830-L880 HydrophobicContact CD2-CD1 3.87Å; F830-L880 HydrophobicContact CE1-CD1 3.95Å; F830-L880 HydrophobicContact CE2-CD1 4.43Å; F830-L880 HydrophobicContact CG-CD1 3.28Å; F830-L880 HydrophobicContact CZ-CD1 4.47Å; V852-L880 HydrophobicContact CG2-CD2 4.24Å; L880-C882 VanDerWaalsContact C-N 3.31Å; L880-C882 PolarHBondContact O-N 3.46Å; L880-R887 HydrophobicContact CD2-CB 4.37Å; L880-R887 HydrophobicContact CD2-CG 4.17Å; L880-A889 HydrophobicContact CD2-CB 3.91Å
881	T	95.3	Very high	94.3	Very high	41 Å²	41	32.2 Å²	32.2	25%	0.252	20%	0.2	S	C	.	.	S	Bend	trans	-63.3	-37.5	179.5	51.4	0	0	0	0	112.5	M822 A823 V888	M822-T881 HydrophobicContact CE-CG2 3.87Å; M822-T881 HydrophobicContact SD-CG2 4.1Å; A823-T881 PolarHBondContact N-O 2.73Å; T881-V888 HydrophobicContact CG2-CB 4Å; T881-V888 PolarHBondContact N-O 2.75Å; T881-V888 VanDerWaalsContact N-O 3.09Å; T881-V888 PolarHBondContact OG1-N 2.96Å
882	C	93.8	Very high	94.3	Very high	40 Å²	40	31.3 Å²	31.3	27%	0.27	20%	0.2	S	C	.	.			trans	-153.1	164.9	174.9	69.2	0	0	0	0	110	L880 R887	L880-C882 VanDerWaalsContact C-N 3.31Å; L880-C882 PolarHBondContact O-N 3.46Å; C882-R887 WeakPolarHBondContact O-CB 3.38Å
883	P	90.3	Very high	94.1	Very high	77 Å²	77	32.5 Å²	32.5	50%	0.5	21%	0.206	S	C	.	.	S	Bend	trans	-81.8	-24.6	176.2	30.9	-33.9	0	0	0	113.3	F830 R887	F830-P883 HydrophobicContact CD2-CB 4.36Å; F830-P883 HydrophobicContact CE2-CB 4.2Å; F830-P883 WeakPolarHBondContact CE2-O 3.45Å; P883-R887 PolarHBondContact O-NE 3.31Å; P883-R887 PolarHBondContact O-NH2 3.41Å
884	G	89.7	Confident	93.3	Very high	28 Å²	28	32.5 Å²	32.5	29%	0.289	21%	0.206	S	C	.	.	S	Bend	trans	-76.7	-177.7	-174.7	0	0	0	0	0	114.9	R887	G884-R887 WeakPolarHBondContact O-CB 3.37Å; G884-R887 PolarHBondContact O-N 2.94Å; G884-R887 PolarHBondContact O-NE 2.75Å; G884-R887 VanDerWaalsContact O-NE 3.13Å; G884-R887 PolarHBondContact O-NH2 3.32Å
885	P	90.8	Very high	92	Very high	122 Å²	122	34 Å²	34	79%	0.792	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	145.9	169	-23.1	34.5	0	0	0	111.5	R887	P885-R887 VanDerWaalsContact C-N 3.33Å
886	G	89.4	Confident	90.7	Very high	70 Å²	70	38 Å²	38	72%	0.722	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.2	9	-172.8	0	0	0	0	0	114.6
887	R	95.2	Very high	89.5	Confident	28 Å²	28	34.2 Å²	34.2	11%	0.106	23%	0.228	C	C	.	.			trans	-57.7	142.1	167.5	72.5	-172.6	78.8	81.8	-5.7	111.2	F830 D848 L880 C882 P883 G884 P885	F830-R887 VanDerWaalsContact CZ-NE 3.31Å; D848-R887 IonicContact OD1-CZ 3.65Å; D848-R887 IonicContact OD1-NH1 3.67Å; D848-R887 PolarHBondContact OD1-NH1 2.94Å; L880-R887 HydrophobicContact CD2-CB 4.37Å; L880-R887 HydrophobicContact CD2-CG 4.17Å; C882-R887 WeakPolarHBondContact O-CB 3.38Å; P883-R887 PolarHBondContact O-NE 3.31Å; P883-R887 PolarHBondContact O-NH2 3.41Å; G884-R887 WeakPolarHBondContact O-CB 3.37Å; G884-R887 PolarHBondContact O-N 2.94Å; G884-R887 PolarHBondContact O-NE 2.75Å; G884-R887 VanDerWaalsContact O-NE 3.13Å; G884-R887 PolarHBondContact O-NH2 3.32Å; P885-R887 VanDerWaalsContact C-N 3.33Å
888	V	97.9	Very high	88	Confident	51 Å²	51	36.7 Å²	36.7	31%	0.309	24%	0.236	S	C	.	.			trans	-119.2	133.6	172.2	175.1	0	0	0	0	107.9	D855 T881 K890	D855-V888 WeakPolarHBondContact OD2-CA 3.4Å; T881-V888 HydrophobicContact CG2-CB 4Å; T881-V888 PolarHBondContact N-O 2.75Å; T881-V888 VanDerWaalsContact N-O 3.09Å; T881-V888 PolarHBondContact OG1-N 2.96Å; V888-K890 HydrophobicContact CG1-CG 4.47Å
889	A	98.1	Very high	85.7	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	140.4	175.8	0	0	0	0	0	111.2	N801 V852 D855 I856 L880	N801-A889 PolarHBondContact ND2-O 2.81Å; V852-A889 HydrophobicContact CB-CB 4.41Å; V852-A889 HydrophobicContact CG1-CB 3.99Å; V852-A889 HydrophobicContact CG2-CB 4.41Å; D855-A889 HydrophobicContact CB-CB 3.83Å; D855-A889 PolarHBondContact OD2-N 3.45Å; I856-A889 HydrophobicContact CD1-CB 3.76Å; I856-A889 HydrophobicContact CG1-CB 3.89Å; L880-A889 HydrophobicContact CD2-CB 3.91Å
890	K	98.2	Very high	83.3	Confident	17 Å²	17	38.5 Å²	38.5	7%	0.074	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	149.4	177.6	-47.9	-165.7	-174.4	-159.5	0	112.5	Q800 N801 V803 E820 M822 C878 L879 V888	Q800-K890 VanDerWaalsContact O-CD 3.29Å; Q800-K890 WeakPolarHBondContact O-CD 3.49Å; Q800-K890 WeakPolarHBondContact O-CE 3.36Å; Q800-K890 PolarHBondContact O-NZ 3.2Å; Q800-K890 VanDerWaalsContact O-NZ 3.13Å; N801-K890 CarbonylContact O-C 3.53Å; N801-K890 VanDerWaalsContact O-CA 3.24Å; N801-K890 WeakPolarHBondContact O-CA 3.28Å; V803-K890 HydrophobicContact CG2-CB 4.01Å; V803-K890 HydrophobicContact CG2-CD 4.46Å; E820-K890 IonicContact OE1-NZ 2.8Å; E820-K890 PolarHBondContact OE1-NZ 3.01Å; E820-K890 IonicContact OE2-NZ 3.72Å; E820-K890 PolarHBondContact OE2-NZ 2.91Å; M822-K890 HydrophobicContact CE-CB 3.85Å; M822-K890 HydrophobicContact CE-CD 3.8Å; M822-K890 HydrophobicContact CE-CG 3.58Å; M822-K890 HydrophobicContact SD-CD 4.01Å; M822-K890 HydrophobicContact SD-CG 4.45Å; C878-K890 CarbonylContact C-O 3.56Å; C878-K890 WeakPolarHBondContact CA-O 3.34Å; L879-K890 PolarHBondContact N-O 2.93Å; L879-K890 PolarHBondContact O-N 2.7Å; V888-K890 HydrophobicContact CG1-CG 4.47Å
891	I	96.8	Very high	80.4	Confident	1 Å²	1	48 Å²	48	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	127.8	168.2	-58	175.8	0	0	0	108.9	N801 I802 V803 I856 L863 H870 I873 F894	N801-I891 PolarHBondContact O-N 3.31Å; I802-I891 HydrophobicContact CG1-CB 4.37Å; V803-I891 WeakPolarHBondContact CG2-O 3.38Å; V803-I891 PolarHBondContact N-O 2.74Å; I856-I891 HydrophobicContact CD1-CG1 4.28Å; I856-I891 HydrophobicContact CG2-CG1 4.24Å; L863-I891 HydrophobicContact CD1-CD1 4.01Å; H870-I891 VanDerWaalsContact CD2-CG2 3.43Å; H870-I891 WeakPolarHBondContact CD2-CG2 3.39Å; H870-I891 WeakPolarHBondContact NE2-CG2 3.48Å; I873-I891 HydrophobicContact CD1-CD1 4.09Å; I891-F894 HydrophobicContact CB-CZ 4.17Å; I891-F894 HydrophobicContact CG2-CE1 3.98Å; I891-F894 HydrophobicContact CG2-CE2 3.86Å; I891-F894 HydrophobicContact CG2-CZ 3.46Å; I891-F894 VanDerWaalsContact CG2-CZ 3.46Å
892	G	89.3	Confident	77.9	Confident	10 Å²	10	54.5 Å²	54.5	10%	0.103	30%	0.303	C	S	.	.			trans	-129.8	-12.2	-166.4	0	0	0	0	0	118.2	N877	N877-G892 PolarHBondContact O-N 2.9Å
893	D	84.3	Confident	75.1	Confident	37 Å²	37	53.3 Å²	53.3	20%	0.198	30%	0.295	C	S	.	.			trans	-131.6	129.2	171.8	-161.3	-46	0	0	0	110.4	K773 H870 G895	K773-D893 IonicContact NZ-OD1 2.75Å; K773-D893 IonicContact NZ-OD2 2.72Å; K773-D893 PolarHBondContact NZ-OD2 2.91Å; K773-D893 VanDerWaalsContact NZ-OD2 3.08Å; H870-D893 PolarHBondContact CE1-O 3.06Å; H870-D893 PolarHBondContact NE2-O 2.93Å; D893-G895 PolarHBondContact OD1-N 2.86Å
894	F	80.8	Confident	72.2	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.009	31%	0.306	C	S	.	.			trans	-115.8	13.3	-176.5	-72.2	-89.4	0	0	0	113.2	I793 I794 F797 I802 L863 F868 I891 M896 A897	I793-F894 HydrophobicContact CG2-CB 4.08Å; I793-F894 HydrophobicContact CG2-CD1 4.34Å; I793-F894 HydrophobicContact CG2-CG 4.3Å; I794-F894 HydrophobicContact CD1-CD2 3.99Å; I794-F894 HydrophobicContact CD1-CE2 4.2Å; I794-F894 HydrophobicContact CG1-CD2 4.27Å; I794-F894 HydrophobicContact CG1-CE2 4.37Å; F797-F894 HydrophobicContact CD2-CD1 4.44Å; F797-F894 AromaticContact CD2-CE1 3.93Å; F797-F894 HydrophobicContact CD2-CE1 3.93Å; F797-F894 HydrophobicContact CD2-CE2 4.3Å; F797-F894 AromaticContact CD2-CZ 3.85Å; F797-F894 HydrophobicContact CD2-CZ 3.85Å; F797-F894 AromaticContact CE2-CD1 3.66Å; F797-F894 HydrophobicContact CE2-CD1 3.66Å; F797-F894 AromaticContact CE2-CE1 3.42Å; F797-F894 HydrophobicContact CE2-CE1 3.42Å; F797-F894 VanDerWaalsContact CE2-CE1 3.42Å; F797-F894 HydrophobicContact CE2-CE2 4.43Å; F797-F894 HydrophobicContact CE2-CG 4.26Å; F797-F894 AromaticContact CE2-CZ 3.84Å; F797-F894 HydrophobicContact CE2-CZ 3.84Å; F797-F894 HydrophobicContact CZ-CD1 4.49Å; F797-F894 HydrophobicContact CZ-CE1 4.24Å; I802-F894 HydrophobicContact CD1-CZ 4.25Å; I802-F894 HydrophobicContact CG1-CZ 4.36Å; I802-F894 HydrophobicContact CG2-CE2 3.79Å; I802-F894 HydrophobicContact CG2-CZ 3.7Å; L863-F894 HydrophobicContact CD1-CE1 4.1Å; L863-F894 HydrophobicContact CD2-CE1 4.29Å; F868-F894 HydrophobicContact CE1-CD1 4.11Å; F868-F894 HydrophobicContact CE1-CE1 4.46Å; I891-F894 HydrophobicContact CB-CZ 4.17Å; I891-F894 HydrophobicContact CG2-CE1 3.98Å; I891-F894 HydrophobicContact CG2-CE2 3.86Å; I891-F894 HydrophobicContact CG2-CZ 3.46Å; I891-F894 VanDerWaalsContact CG2-CZ 3.46Å; F894-M896 PolarHBondContact O-N 3.25Å; F894-A897 HydrophobicContact CB-CB 4.22Å; F894-A897 HydrophobicContact CD1-CB 3.99Å; F894-A897 WeakPolarHBondContact O-CB 3.45Å; F894-A897 PolarHBondContact O-N 3.17Å
895	G	69.6	Low	69.4	Low	31 Å²	31	63.6 Å²	63.6	32%	0.32	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.8	-172.4	0	0	0	0	0	116.2	D893	D893-G895 PolarHBondContact OD1-N 2.86Å
896	M	68.3	Low	66.7	Low	86 Å²	86	63 Å²	63	42%	0.424	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-7.9	174.3	-71.3	-64	101	0	0	114.3	D872 F894	D872-M896 HydrophobicContact CB-CB 4.34Å; F894-M896 PolarHBondContact O-N 3.25Å
897	A	67.9	Low	64.1	Low	6 Å²	6	67.2 Å²	67.2	5%	0.05	31%	0.31	C	S	.	.			trans	-84.8	147.3	-163.6	0	0	0	0	0	113.9	F868 I869 H870 F894	F868-A897 HydrophobicContact CE1-CB 3.43Å; F868-A897 VanDerWaalsContact CE1-CB 3.43Å; F868-A897 HydrophobicContact CZ-CB 3.66Å; I869-A897 WeakPolarHBondContact O-CA 3.19Å; H870-A897 WeakPolarHBondContact O-CA 3.34Å; H870-A897 WeakPolarHBondContact O-CB 3.27Å; F894-A897 HydrophobicContact CB-CB 4.22Å; F894-A897 HydrophobicContact CD1-CB 3.99Å; F894-A897 WeakPolarHBondContact O-CB 3.45Å; F894-A897 PolarHBondContact O-N 3.17Å
898	R	62.7	Low	61.3	Low	76 Å²	76	70.6 Å²	70.6	29%	0.287	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	148.2	-173.1	-63.8	-169.5	174.3	-153.2	-3.2	113.9	I869	I869-R898 PolarHBondContact N-O 2.96Å; I869-R898 PolarHBondContact O-N 3.35Å
899	D	48.6	Very low	58	Low	25 Å²	25	71.7 Å²	71.7	13%	0.134	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	140.3	168.6	-174.8	-59.4	0	0	0	111.2	F868 Y901 R902 A903	F868-D899 HydrophobicContact CD2-CB 4.36Å; D899-Y901 VanDerWaalsContact C-N 3.29Å; D899-Y901 PolarHBondContact O-N 3.47Å; D899-Y901 WeakPolarHBondContact OD1-CB 3.18Å; D899-Y901 PolarHBondContact OD1-N 2.92Å; D899-R902 PolarHBondContact O-N 2.85Å; D899-R902 VanDerWaalsContact O-N 3.09Å; D899-A903 PolarHBondContact O-N 2.75Å
900	I	44.9	Very low	54.8	Low	61 Å²	61	74.8 Å²	74.8	31%	0.313	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-56.4	-37.7	-179.6	-71.4	178.1	0	0	0	112.6	H867 I869 R902 A903	H867-I900 HydrophobicContact CB-CD1 4.02Å; H867-I900 VanDerWaalsContact O-CG1 3.27Å; H867-I900 WeakPolarHBondContact O-CG1 3.4Å; H867-I900 PolarHBondContact O-N 2.99Å; I869-I900 HydrophobicContact CD1-CD1 4.35Å; I869-I900 HydrophobicContact CD1-CG1 3.66Å; I869-I900 HydrophobicContact CG1-CD1 4.22Å; I869-I900 HydrophobicContact CG1-CG1 3.76Å; I900-R902 PolarHBondContact O-N 3.26Å; I900-R902 VanDerWaalsContact O-N 3.13Å; I900-A903 VanDerWaalsContact O-CB 3.29Å; I900-A903 WeakPolarHBondContact O-CB 3.4Å; I900-A903 PolarHBondContact O-N 2.81Å
901	Y	36.9	Very low	51.7	Low	200 Å²	200	80.8 Å²	80.8	78%	0.784	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-68.5	-11.1	179.9	-73.7	-87.1	0	0	0	114.1	D899	D899-Y901 VanDerWaalsContact C-N 3.29Å; D899-Y901 PolarHBondContact O-N 3.47Å; D899-Y901 WeakPolarHBondContact OD1-CB 3.18Å; D899-Y901 PolarHBondContact OD1-N 2.92Å
902	R	43.2	Very low	49.1	Very low	177 Å²	177	82.6 Å²	82.6	67%	0.668	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-113.7	3	169.6	-82	-178.3	154.1	-166.8	-6.8	113.1	D899 I900	D899-R902 PolarHBondContact O-N 2.85Å; D899-R902 VanDerWaalsContact O-N 3.09Å; I900-R902 PolarHBondContact O-N 3.26Å; I900-R902 VanDerWaalsContact O-N 3.13Å
903	A	35.2	Very low	47.4	Very low	14 Å²	14	90 Å²	90	12%	0.116	47%	0.47	C	S	.	.	G	3₁₀ helix	trans	-76	-31.8	-176	0	0	0	0	0	113.4	I869 R871 D899 I900 Y905	I869-A903 HydrophobicContact CD1-CB 4.3Å; R871-A903 VanDerWaalsContact NH2-CA 3.34Å; R871-A903 VanDerWaalsContact NH2-CB 3.27Å; R871-A903 PolarHBondContact NH2-O 2.84Å; D899-A903 PolarHBondContact O-N 2.75Å; I900-A903 VanDerWaalsContact O-CB 3.29Å; I900-A903 WeakPolarHBondContact O-CB 3.4Å; I900-A903 PolarHBondContact O-N 2.81Å; A903-Y905 PolarHBondContact O-N 2.89Å
904	S	29.5	Very low	46.6	Very low	104 Å²	104	92.7 Å²	92.7	73%	0.727	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-83.3	-1.4	-169.2	51.3	0	0	0	0	116.1
905	Y	29.9	Very low	46.8	Very low	218 Å²	218	93.4 Å²	93.4	86%	0.855	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-140.4	31.2	-169.9	-135.8	-94	0	0	0	114.6	A903	A903-Y905 PolarHBondContact O-N 2.89Å
906	Y	35	Very low	47.5	Very low	108 Å²	108	92.9 Å²	92.9	42%	0.424	48%	0.48	S	S	.	.			trans	-141.4	95.6	-179.5	-168.9	-97.8	0	0	0	113.8	K908	Y906-K908 HydrophobicContact CD1-CB 4.25Å; Y906-K908 HydrophobicContact CE1-CB 3.57Å; Y906-K908 HydrophobicContact CE1-CD 4.21Å; Y906-K908 HydrophobicContact CE1-CG 3.87Å
907	R	34.8	Very low	48.8	Very low	159 Å²	159	89.5 Å²	89.5	60%	0.6	46%	0.463	S	S	*	.			trans	-78.3	122	155.2	-68.8	-171.7	174.1	-149.3	-5.4	108	H633 G909	H633-R907 PolarHBondContact CD2-NH2 3.09Å; H633-R907 VanDerWaalsContact CG-CZ 3.42Å; H633-R907 PolarHBondContact NE2-NE 3.2Å; H633-R907 PolarHBondContact NE2-NH2 3.44Å; R907-G909 PolarHBondContact O-N 2.91Å
908	K	35.7	Very low	50.1	Low	99 Å²	99	90.2 Å²	90.2	43%	0.43	46%	0.464	S	S	.	.			trans	-77.7	101.2	175.4	-167.7	162.5	-178.6	172.9	0	108.9	Y906 A912	Y906-K908 HydrophobicContact CD1-CB 4.25Å; Y906-K908 HydrophobicContact CE1-CB 3.57Å; Y906-K908 HydrophobicContact CE1-CD 4.21Å; Y906-K908 HydrophobicContact CE1-CG 3.87Å; K908-A912 HydrophobicContact CD-CB 3.9Å; K908-A912 HydrophobicContact CG-CB 4.41Å
909	G	27.5	Very low	51.5	Low	75 Å²	75	86.8 Å²	86.8	77%	0.773	45%	0.451	S	S	*	.			trans	-64.9	133.9	170.5	0	0	0	0	0	111.2	R907	R907-G909 PolarHBondContact O-N 2.91Å
910	G	32.2	Very low	53.7	Low	65 Å²	65	85.6 Å²	85.6	67%	0.67	45%	0.445	S	S	*	.	S	Bend	trans	99.2	162.4	-178.4	0	0	0	0	0	114.4	A912	G910-A912 VanDerWaalsContact C-N 3.28Å; G910-A912 PolarHBondContact O-N 2.99Å
911	C	32.3	Very low	55.7	Low	142 Å²	142	82.8 Å²	82.8	96%	0.959	43%	0.431	S	S	*	.			trans	-73.1	65.6	-168	-56.5	0	0	0	0	114.6
912	A	41.8	Very low	58	Low	40 Å²	40	74 Å²	74	33%	0.331	40%	0.397	S	S	.	.			trans	-73.4	129.5	166.1	0	0	0	0	0	110.3	K908 G910 L914	K908-A912 HydrophobicContact CD-CB 3.9Å; K908-A912 HydrophobicContact CG-CB 4.41Å; G910-A912 VanDerWaalsContact C-N 3.28Å; G910-A912 PolarHBondContact O-N 2.99Å; A912-L914 PolarHBondContact O-N 3.03Å; A912-L914 VanDerWaalsContact O-N 3.07Å
913	M	53.8	Low	59.9	Low	164 Å²	164	65.8 Å²	65.8	81%	0.808	37%	0.367	S	S	*	.			trans	-71.8	101.9	175.9	-68.6	-178.1	68.3	0	0	110.3
914	L	68.9	Low	61.8	Low	95 Å²	95	66.9 Å²	66.9	50%	0.497	37%	0.369	S	S	.	.			trans	-73	142.2	176.2	-67.1	176.9	0	0	0	111.6	A912 V916 M919	A912-L914 PolarHBondContact O-N 3.03Å; A912-L914 VanDerWaalsContact O-N 3.07Å; L914-V916 HydrophobicContact CB-CG2 4.13Å; L914-V916 PolarHBondContact O-N 3.22Å; L914-M919 HydrophobicContact CB-SD 4.02Å
915	P	83.4	Confident	63.8	Low	16 Å²	16	67.2 Å²	67.2	10%	0.104	36%	0.36	C	S	.	.			trans	-80.1	51.9	179.1	35.5	-37.4	0	0	0	111.9	D872 K917 W918 M919	D872-P915 HydrophobicContact CB-CG 4.35Å; D872-P915 WeakPolarHBondContact OD1-CB 3.46Å; P915-K917 PolarHBondContact O-N 2.8Å; P915-W918 HydrophobicContact CB-CE3 4.36Å; P915-W918 PolarHBondContact O-N 3.07Å; P915-M919 HydrophobicContact CG-CG 4.13Å; P915-M919 HydrophobicContact CG-SD 4.08Å
916	V	86.1	Confident	65.6	Low	20 Å²	20	62.4 Å²	62.4	12%	0.121	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-43.9	-42.9	-167.2	-178.2	0	0	0	0	113.8	L914 W918 M919 N958 L962	L914-V916 HydrophobicContact CB-CG2 4.13Å; L914-V916 PolarHBondContact O-N 3.22Å; V916-W918 PolarHBondContact O-N 3.24Å; V916-W918 VanDerWaalsContact O-N 3.17Å; V916-M919 PolarHBondContact O-N 3.05Å; V916-N958 HydrophobicContact CB-CB 4.14Å; V916-N958 HydrophobicContact CG1-CB 4.32Å; V916-N958 HydrophobicContact CG2-CB 4.29Å; V916-L962 HydrophobicContact CG1-CB 4.35Å
917	K	94.7	Very high	67.3	Low	16 Å²	16	59.1 Å²	59.1	7%	0.07	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-66.6	-14	-179.2	-60.5	-162.1	167.5	-160.5	0	115.6	P915 P952 Y953 K956 V961	P915-K917 PolarHBondContact O-N 2.8Å; K917-P952 HydrophobicContact CB-CB 4.45Å; K917-P952 VanDerWaalsContact CD-O 3.3Å; K917-P952 WeakPolarHBondContact CD-O 3.44Å; K917-P952 PolarHBondContact NZ-O 3.44Å; K917-Y953 HydrophobicContact CB-CD2 4.27Å; K917-Y953 HydrophobicContact CD-CD2 4.48Å; K917-Y953 PolarHBondContact NZ-O 3.05Å; K917-Y953 WeakPolarHBondContact O-CE2 3.35Å; K917-K956 VanDerWaalsContact CE-O 3.31Å; K917-K956 WeakPolarHBondContact CE-O 3.46Å; K917-K956 PolarHBondContact NZ-O 3.46Å; K917-V961 HydrophobicContact CD-CG2 4.32Å; K917-V961 HydrophobicContact CG-CB 4.42Å; K917-V961 HydrophobicContact CG-CG1 4.24Å; K917-V961 HydrophobicContact CG-CG2 4.21Å
918	W	95.8	Very high	69.3	Low	20 Å²	20	55.4 Å²	55.4	8%	0.076	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-107.6	1.5	174.6	-65.4	-101.9	0	0	0	112.3	I873 A874 R876 P915 V916 S937 V940 E944 M951 P952	I873-W918 VanDerWaalsContact O-CD1 3.27Å; A874-W918 HydrophobicContact CB-CD2 4.13Å; A874-W918 HydrophobicContact CB-CG 4.11Å; A874-W918 HydrophobicContact CB-CZ2 4.35Å; R876-W918 VanDerWaalsContact NH1-CZ3 3.26Å; P915-W918 HydrophobicContact CB-CE3 4.36Å; P915-W918 PolarHBondContact O-N 3.07Å; V916-W918 PolarHBondContact O-N 3.24Å; V916-W918 VanDerWaalsContact O-N 3.17Å; W918-S937 WeakPolarHBondContact O-CA 3.33Å; W918-S937 WeakPolarHBondContact O-CB 3.35Å; W918-S937 PolarHBondContact O-OG 3.38Å; W918-V940 VanDerWaalsContact CD1-CG1 3.41Å; W918-V940 HydrophobicContact CD2-CG1 4.34Å; W918-V940 HydrophobicContact CG-CB 4.3Å; W918-V940 HydrophobicContact CG-CG1 3.9Å; W918-E944 PolarHBondContact NE1-OE2 3.13Å; W918-M951 HydrophobicContact CH2-SD 4.04Å; W918-P952 HydrophobicContact CH2-CG 4.38Å; W918-P952 HydrophobicContact CZ2-CG 3.75Å
919	M	91.3	Very high	71.4	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.02	32%	0.323	C	S	.	.			trans	-96.5	144.3	-178.2	-67	172.5	66.5	0	0	111.9	L914 P915 V916 A923 F924 F929 W936	L914-M919 HydrophobicContact CB-SD 4.02Å; P915-M919 HydrophobicContact CG-CG 4.13Å; P915-M919 HydrophobicContact CG-SD 4.08Å; V916-M919 PolarHBondContact O-N 3.05Å; M919-A923 HydrophobicContact CB-CB 4.42Å; M919-A923 HydrophobicContact CE-CB 3.82Å; M919-A923 WeakPolarHBondContact CE-O 3.44Å; M919-F924 HydrophobicContact CB-CD1 3.87Å; M919-F924 HydrophobicContact CE-CB 4.01Å; M919-F929 HydrophobicContact CE-CE1 4.31Å; M919-F929 HydrophobicContact CE-CZ 4.03Å; M919-W936 VanDerWaalsContact C-CD1 3.47Å; M919-W936 VanDerWaalsContact C-NE1 3.35Å; M919-W936 PolarHBondContact O-NE1 3.17Å
920	P	94.1	Very high	74.2	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.301	C	S	.	.			trans	-82.9	169	169.1	36	-38.9	0	0	0	112.7	E922 A923 F924 T933 W936	P920-E922 VanDerWaalsContact CB-OE2 3.3Å; P920-E922 WeakPolarHBondContact CB-OE2 3.34Å; P920-E922 VanDerWaalsContact CG-CD 3.47Å; P920-E922 WeakPolarHBondContact CG-OE1 3.44Å; P920-E922 WeakPolarHBondContact CG-OE2 3.24Å; P920-E922 PolarHBondContact O-N 3.44Å; P920-A923 HydrophobicContact CG-CB 3.82Å; P920-A923 PolarHBondContact O-N 2.78Å; P920-F924 VanDerWaalsContact O-CD1 3.24Å; P920-F924 WeakPolarHBondContact O-CD1 3.46Å; P920-F924 WeakPolarHBondContact O-CE1 3.45Å; P920-T933 HydrophobicContact CG-CG2 3.75Å; P920-W936 HydrophobicContact CB-CB 3.84Å; P920-W936 HydrophobicContact CB-CD2 3.49Å; P920-W936 VanDerWaalsContact CB-CD2 3.49Å; P920-W936 HydrophobicContact CB-CE3 3.67Å; P920-W936 HydrophobicContact CB-CG 3.55Å; P920-W936 HydrophobicContact CB-CZ3 4.39Å; P920-W936 HydrophobicContact CG-CB 4.16Å; P920-W936 HydrophobicContact CG-CG 4.22Å
921	P	87.4	Confident	76.9	Confident	3 Å²	3	49 Å²	49	2%	0.019	28%	0.275	C	S	.	.	H	α-helix	trans	-48	-52.6	178.5	-29	35.2	0	0	0	115.1	A923 F924 M925 V965	P921-A923 PolarHBondContact O-N 2.66Å; P921-A923 VanDerWaalsContact O-N 3.13Å; P921-F924 PolarHBondContact O-N 2.77Å; P921-M925 HydrophobicContact CB-SD 4.18Å; P921-M925 WeakPolarHBondContact O-CB 3.39Å; P921-M925 WeakPolarHBondContact O-CG 3.03Å; P921-M925 PolarHBondContact O-N 2.85Å; P921-V965 HydrophobicContact CG-CG1 4.01Å
922	E	85	Confident	80	Confident	15 Å²	15	44.3 Å²	44.3	7%	0.07	24%	0.238	C	C	.	.	H	α-helix	trans	-63.5	-26.7	-174.1	77.2	-74.4	177.1	0	0	113	P920 E926 G927 I928 T933 P993 R996	P920-E922 VanDerWaalsContact CB-OE2 3.3Å; P920-E922 WeakPolarHBondContact CB-OE2 3.34Å; P920-E922 VanDerWaalsContact CG-CD 3.47Å; P920-E922 WeakPolarHBondContact CG-OE1 3.44Å; P920-E922 WeakPolarHBondContact CG-OE2 3.24Å; P920-E922 PolarHBondContact O-N 3.44Å; E922-E926 PolarHBondContact O-N 2.77Å; E922-E926 VanDerWaalsContact O-N 3.17Å; E922-G927 PolarHBondContact O-N 2.92Å; E922-I928 HydrophobicContact CB-CB 4.41Å; E922-I928 HydrophobicContact CG-CB 4.23Å; E922-I928 HydrophobicContact CG-CG2 4.41Å; E922-I928 PolarHBondContact O-N 3Å; E922-T933 PolarHBondContact OE1-OG1 2.92Å; E922-P993 HydrophobicContact CG-CG 4.27Å; E922-R996 IonicContact OE1-CZ 2.66Å; E922-R996 IonicContact OE1-NH1 2.68Å; E922-R996 PolarHBondContact OE1-NH1 2.87Å; E922-R996 IonicContact OE1-NH2 3.72Å; E922-R996 IonicContact OE2-CZ 2.8Å; E922-R996 IonicContact OE2-NH1 3.29Å; E922-R996 PolarHBondContact OE2-NH1 2.81Å; E922-R996 IonicContact OE2-NH2 3.07Å; E922-R996 PolarHBondContact OE2-NH2 3.41Å
923	A	82.7	Confident	82.4	Confident	4 Å²	4	42.5 Å²	42.5	3%	0.033	22%	0.223	C	C	.	.	H	α-helix	trans	-80.5	-21.4	-176.9	0	0	0	0	0	113.7	M919 P920 P921 I928 F929 T933	M919-A923 HydrophobicContact CB-CB 4.42Å; M919-A923 HydrophobicContact CE-CB 3.82Å; M919-A923 WeakPolarHBondContact CE-O 3.44Å; P920-A923 HydrophobicContact CG-CB 3.82Å; P920-A923 PolarHBondContact O-N 2.78Å; P921-A923 PolarHBondContact O-N 2.66Å; P921-A923 VanDerWaalsContact O-N 3.13Å; A923-I928 VanDerWaalsContact CA-O 3.27Å; A923-I928 WeakPolarHBondContact CA-O 3.32Å; A923-F929 HydrophobicContact CB-CD1 4.34Å; A923-F929 HydrophobicContact CB-CE1 3.99Å; A923-F929 HydrophobicContact CB-CZ 4.16Å; A923-T933 HydrophobicContact CB-CG2 3.85Å
924	F	74.9	Confident	84.5	Confident	37 Å²	37	34.9 Å²	34.9	16%	0.162	19%	0.186	C	C	.	.	H	α-helix	trans	-111.4	-20.7	174.7	56.6	-117.8	0	0	0	114.4	M919 P920 P921 L962 V965 T966	M919-F924 HydrophobicContact CB-CD1 3.87Å; M919-F924 HydrophobicContact CE-CB 4.01Å; P920-F924 VanDerWaalsContact O-CD1 3.24Å; P920-F924 WeakPolarHBondContact O-CD1 3.46Å; P920-F924 WeakPolarHBondContact O-CE1 3.45Å; P921-F924 PolarHBondContact O-N 2.77Å; F924-L962 HydrophobicContact CD2-CD1 4.06Å; F924-L962 HydrophobicContact CD2-CD2 4.27Å; F924-L962 HydrophobicContact CD2-CG 3.72Å; F924-L962 HydrophobicContact CE2-CD1 4.47Å; F924-L962 HydrophobicContact CE2-CD2 4.01Å; F924-L962 HydrophobicContact CE2-CG 3.63Å; F924-L962 HydrophobicContact CG-CD1 4.41Å; F924-L962 HydrophobicContact CG-CG 4.32Å; F924-L962 HydrophobicContact CZ-CG 4.13Å; F924-V965 HydrophobicContact CE1-CG1 4.26Å; F924-V965 HydrophobicContact CZ-CB 4.36Å; F924-V965 HydrophobicContact CZ-CG1 3.94Å; F924-T966 WeakPolarHBondContact CE2-OG1 3.47Å
925	M	71.7	Confident	85.9	Confident	111 Å²	111	30.4 Å²	30.4	55%	0.547	16%	0.162	S	C	.	.	H	α-helix	trans	-82.4	-56.5	172.5	-65.2	177.6	65.2	0	0	111.2	P921 T966	P921-M925 HydrophobicContact CB-SD 4.18Å; P921-M925 WeakPolarHBondContact O-CB 3.39Å; P921-M925 WeakPolarHBondContact O-CG 3.03Å; P921-M925 PolarHBondContact O-N 2.85Å; M925-T966 HydrophobicContact CE-CG2 4.38Å; M925-T966 HydrophobicContact SD-CG2 3.76Å
926	E	68.5	Low	86.6	Confident	118 Å²	118	29.6 Å²	29.6	55%	0.551	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-19.9	-172.6	-61.8	169.2	-163.2	0	0	112.2	E922 I928	E922-E926 PolarHBondContact O-N 2.77Å; E922-E926 VanDerWaalsContact O-N 3.17Å; E926-I928 VanDerWaalsContact C-N 3.34Å; E926-I928 HydrophobicContact CB-CD1 4.18Å; E926-I928 HydrophobicContact CB-CG1 3.9Å; E926-I928 WeakPolarHBondContact OE2-CD1 3.09Å
927	G	70.7	Confident	87.1	Confident	38 Å²	38	28.7 Å²	28.7	39%	0.392	15%	0.152	S	C	.	.			trans	77.4	20.7	-173.9	0	0	0	0	0	113.1	E922 F929	E922-G927 PolarHBondContact O-N 2.92Å; G927-F929 WeakPolarHBondContact O-CD2 3.46Å; G927-F929 WeakPolarHBondContact O-CE2 3.42Å
928	I	75.8	Confident	87.3	Confident	81 Å²	81	28 Å²	28	42%	0.415	15%	0.148	S	C	.	.			trans	-81.7	133.7	178.9	-63.5	-173.8	0	0	0	109.9	E922 A923 E926 T930	E922-I928 HydrophobicContact CB-CB 4.41Å; E922-I928 HydrophobicContact CG-CB 4.23Å; E922-I928 HydrophobicContact CG-CG2 4.41Å; E922-I928 PolarHBondContact O-N 3Å; A923-I928 VanDerWaalsContact CA-O 3.27Å; A923-I928 WeakPolarHBondContact CA-O 3.32Å; E926-I928 VanDerWaalsContact C-N 3.34Å; E926-I928 HydrophobicContact CB-CD1 4.18Å; E926-I928 HydrophobicContact CB-CG1 3.9Å; E926-I928 WeakPolarHBondContact OE2-CD1 3.09Å; I928-T930 HydrophobicContact CG2-CG2 4.17Å
929	F	80	Confident	87.5	Confident	36 Å²	36	27 Å²	27	16%	0.158	15%	0.145	C	C	.	.			trans	-127.5	128	176.4	-66.1	-97.1	0	0	0	109.5	I869 R871 M919 A923 G927 T933	I869-F929 HydrophobicContact CD1-CB 4.1Å; I869-F929 WeakPolarHBondContact CD1-O 3.42Å; I869-F929 HydrophobicContact CG2-CB 4.49Å; R871-F929 HydrophobicContact CB-CD1 4.07Å; R871-F929 HydrophobicContact CB-CE1 4.13Å; R871-F929 HydrophobicContact CG-CD1 3.62Å; R871-F929 HydrophobicContact CG-CE1 4.12Å; R871-F929 HydrophobicContact CG-CG 4.3Å; R871-F929 VanDerWaalsContact CZ-CG 3.43Å; M919-F929 HydrophobicContact CE-CE1 4.31Å; M919-F929 HydrophobicContact CE-CZ 4.03Å; A923-F929 HydrophobicContact CB-CD1 4.34Å; A923-F929 HydrophobicContact CB-CE1 3.99Å; A923-F929 HydrophobicContact CB-CZ 4.16Å; G927-F929 WeakPolarHBondContact O-CD2 3.46Å; G927-F929 WeakPolarHBondContact O-CE2 3.42Å; F929-T933 HydrophobicContact CD1-CG2 3.85Å; F929-T933 HydrophobicContact CE1-CG2 4.4Å
930	T	86.7	Confident	87.8	Confident	51 Å²	51	26.8 Å²	26.8	31%	0.313	14%	0.144	S	C	.	.			trans	-136.8	176.2	175	68.1	0	0	0	0	109.9	I928 K932 T933	I928-T930 HydrophobicContact CG2-CG2 4.17Å; T930-K932 PolarHBondContact O-N 3.32Å; T930-K932 WeakPolarHBondContact OG1-CB 3.42Å; T930-K932 PolarHBondContact OG1-N 2.94Å; T930-K932 VanDerWaalsContact OG1-N 3.16Å; T930-T933 PolarHBondContact N-OG1 3.05Å; T930-T933 WeakPolarHBondContact O-CA 3.43Å; T930-T933 WeakPolarHBondContact O-CB 3.23Å; T930-T933 PolarHBondContact O-N 3.13Å; T930-T933 PolarHBondContact O-OG1 3.49Å
931	S	90	Very high	88	Confident	17 Å²	17	26.8 Å²	26.8	12%	0.119	14%	0.144	C	C	.	.	H	α-helix	trans	-59.7	-26.7	169.9	-46.7	0	0	0	0	112.6	T933 D934 T935	S931-T933 PolarHBondContact O-N 3.4Å; S931-D934 PolarHBondContact O-N 3.09Å; S931-T935 PolarHBondContact O-N 2.99Å; S931-T935 PolarHBondContact O-OG1 2.96Å
932	K	96.1	Very high	88.6	Confident	44 Å²	44	26.8 Å²	26.8	19%	0.191	14%	0.143	C	C	.	.	H	α-helix	trans	-72	-12.2	173.4	-56.4	-60.1	-159.4	79.8	0	113.3	T930 W936 P993 E994 R996	T930-K932 PolarHBondContact O-N 3.32Å; T930-K932 WeakPolarHBondContact OG1-CB 3.42Å; T930-K932 PolarHBondContact OG1-N 2.94Å; T930-K932 VanDerWaalsContact OG1-N 3.16Å; K932-W936 PolarHBondContact O-N 2.81Å; K932-P993 HydrophobicContact CB-CB 3.95Å; K932-P993 HydrophobicContact CG-CB 4.38Å; K932-P993 VanDerWaalsContact CG-O 3.29Å; K932-P993 WeakPolarHBondContact CG-O 3.36Å; K932-P993 PolarHBondContact NZ-O 2.88Å; K932-E994 PolarHBondContact NZ-O 3.3Å; K932-R996 HydrophobicContact CD-CB 4.47Å; K932-R996 WeakPolarHBondContact CE-O 3.46Å; K932-R996 PolarHBondContact NZ-O 3.04Å; K932-R996 WeakPolarHBondContact O-CD 3.47Å; K932-R996 PolarHBondContact O-NH1 3.42Å
933	T	93.4	Very high	89.2	Confident	2 Å²	2	26.9 Å²	26.9	1%	0.012	14%	0.143	C	C	.	.	H	α-helix	trans	-74.9	-45.4	167.9	-51.6	0	0	0	0	110	P920 E922 A923 F929 T930 S931 T935 W936 S937	P920-T933 HydrophobicContact CG-CG2 3.75Å; E922-T933 PolarHBondContact OE1-OG1 2.92Å; A923-T933 HydrophobicContact CB-CG2 3.85Å; F929-T933 HydrophobicContact CD1-CG2 3.85Å; F929-T933 HydrophobicContact CE1-CG2 4.4Å; T930-T933 PolarHBondContact N-OG1 3.05Å; T930-T933 WeakPolarHBondContact O-CA 3.43Å; T930-T933 WeakPolarHBondContact O-CB 3.23Å; T930-T933 PolarHBondContact O-N 3.13Å; T930-T933 PolarHBondContact O-OG1 3.49Å; S931-T933 PolarHBondContact O-N 3.4Å; T933-T935 VanDerWaalsContact C-N 3.31Å; T933-T935 PolarHBondContact O-N 2.8Å; T933-W936 WeakPolarHBondContact O-CB 3.41Å; T933-W936 PolarHBondContact O-N 3.01Å; T933-W936 VanDerWaalsContact O-N 3.15Å; T933-S937 PolarHBondContact O-N 2.9Å; T933-S937 VanDerWaalsContact O-N 3.15Å; T933-S937 PolarHBondContact O-OG 2.99Å
934	D	96.3	Very high	90	Very high	5 Å²	5	26.7 Å²	26.7	3%	0.027	14%	0.142	C	C	.	.	H	α-helix	trans	-65.6	-32.9	173.4	-69.9	-26.7	0	0	0	111.9	I869 H870 R871 I873 S931 W936 S937 F938 F999	I869-D934 WeakPolarHBondContact CA-OD2 3.42Å; I869-D934 WeakPolarHBondContact CG2-OD2 3.37Å; H870-D934 PolarHBondContact N-OD1 2.84Å; H870-D934 PolarHBondContact N-OD2 2.78Å; R871-D934 PolarHBondContact N-OD1 2.8Å; I873-D934 HydrophobicContact CG1-CB 4.21Å; S931-D934 PolarHBondContact O-N 3.09Å; D934-W936 VanDerWaalsContact C-N 3.31Å; D934-W936 PolarHBondContact O-N 2.98Å; D934-S937 PolarHBondContact O-N 3.34Å; D934-F938 WeakPolarHBondContact O-CB 3.05Å; D934-F938 PolarHBondContact O-N 2.68Å; D934-F999 HydrophobicContact CB-CE2 4.19Å; D934-F999 HydrophobicContact CB-CZ 4.27Å
935	T	98.4	Very high	91.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-53.1	-47	169.2	-68	0	0	0	0	111.9	S931 T933 F938 G939 C988 R996 P997 I1002	S931-T935 PolarHBondContact O-N 2.99Å; S931-T935 PolarHBondContact O-OG1 2.96Å; T933-T935 VanDerWaalsContact C-N 3.31Å; T933-T935 PolarHBondContact O-N 2.8Å; T935-F938 PolarHBondContact O-N 3.38Å; T935-G939 PolarHBondContact O-N 2.94Å; T935-C988 HydrophobicContact CG2-CB 3.98Å; T935-C988 WeakPolarHBondContact O-CB 3.07Å; T935-R996 HydrophobicContact CG2-CB 3.77Å; T935-P997 HydrophobicContact CG2-CG 4.43Å; T935-P997 VanDerWaalsContact CG2-O 3.23Å; T935-P997 WeakPolarHBondContact CG2-O 3.35Å; T935-P997 PolarHBondContact OG1-O 3.33Å; T935-I1002 HydrophobicContact CG2-CD1 4.07Å
936	W	98.5	Very high	92.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.6	-48	179.6	177.2	-76	0	0	0	111.1	M919 P920 K932 T933 D934 F938 G939 V940 V965 R970 W989	M919-W936 VanDerWaalsContact C-CD1 3.47Å; M919-W936 VanDerWaalsContact C-NE1 3.35Å; M919-W936 PolarHBondContact O-NE1 3.17Å; P920-W936 HydrophobicContact CB-CB 3.84Å; P920-W936 HydrophobicContact CB-CD2 3.49Å; P920-W936 VanDerWaalsContact CB-CD2 3.49Å; P920-W936 HydrophobicContact CB-CE3 3.67Å; P920-W936 HydrophobicContact CB-CG 3.55Å; P920-W936 HydrophobicContact CB-CZ3 4.39Å; P920-W936 HydrophobicContact CG-CB 4.16Å; P920-W936 HydrophobicContact CG-CG 4.22Å; K932-W936 PolarHBondContact O-N 2.81Å; T933-W936 WeakPolarHBondContact O-CB 3.41Å; T933-W936 PolarHBondContact O-N 3.01Å; T933-W936 VanDerWaalsContact O-N 3.15Å; D934-W936 VanDerWaalsContact C-N 3.31Å; D934-W936 PolarHBondContact O-N 2.98Å; W936-F938 PolarHBondContact O-N 3.13Å; W936-G939 WeakPolarHBondContact O-CA 3.36Å; W936-G939 PolarHBondContact O-N 2.96Å; W936-V940 PolarHBondContact O-N 3.31Å; W936-V940 VanDerWaalsContact O-N 3.09Å; W936-V965 HydrophobicContact CH2-CG1 3.61Å; W936-V965 HydrophobicContact CZ2-CB 4.47Å; W936-V965 HydrophobicContact CZ2-CG1 3.4Å; W936-V965 VanDerWaalsContact CZ2-CG1 3.4Å; W936-V965 HydrophobicContact CZ2-CG2 4.22Å; W936-R970 VanDerWaalsContact CH2-CZ 3.49Å; W936-W989 HydrophobicContact CD2-CB 4.47Å; W936-W989 AromaticContact CD2-CD1 3.7Å; W936-W989 HydrophobicContact CD2-CG 4.44Å; W936-W989 AromaticContact CE2-CD1 3.79Å; W936-W989 HydrophobicContact CE3-CB 4.06Å; W936-W989 HydrophobicContact CE3-CG 4.49Å; W936-W989 HydrophobicContact CH2-CB 3.98Å; W936-W989 HydrophobicContact CZ2-CB 4.4Å; W936-W989 HydrophobicContact CZ2-CG 4.46Å; W936-W989 HydrophobicContact CZ3-CB 3.81Å; W936-W989 WeakPolarHBondContact CZ3-O 3.47Å; W936-W989 PolarHBondContact O-NE1 2.78Å
937	S	98.2	Very high	93.7	Very high	1 Å²	1	15 Å²	15	1%	0.007	9%	0.088	C	C	.	.	H	α-helix	trans	-57.4	-39.1	175.7	-54.4	0	0	0	0	111.5	W918 T933 D934 V940 L941	W918-S937 WeakPolarHBondContact O-CA 3.33Å; W918-S937 WeakPolarHBondContact O-CB 3.35Å; W918-S937 PolarHBondContact O-OG 3.38Å; T933-S937 PolarHBondContact O-N 2.9Å; T933-S937 VanDerWaalsContact O-N 3.15Å; T933-S937 PolarHBondContact O-OG 2.99Å; D934-S937 PolarHBondContact O-N 3.34Å; S937-V940 CarbonylContact O-C 3.55Å; S937-V940 WeakPolarHBondContact O-CB 3.05Å; S937-V940 PolarHBondContact O-N 3.47Å; S937-V940 VanDerWaalsContact O-N 3.12Å; S937-L941 PolarHBondContact O-N 2.98Å
938	F	98.8	Very high	94.9	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-64.8	-36.9	173.2	-176	-92.1	0	0	0	112.9	A853 I856 A857 I873 D934 T935 W936 V940 L941 L942 F999 I1002 I1006	A853-F938 WeakPolarHBondContact O-CZ 3.36Å; I856-F938 HydrophobicContact CB-CE2 4.27Å; I856-F938 HydrophobicContact CG2-CD2 4.33Å; I856-F938 HydrophobicContact CG2-CE2 4.22Å; A857-F938 HydrophobicContact CB-CE1 4.4Å; A857-F938 HydrophobicContact CB-CE2 3.87Å; A857-F938 HydrophobicContact CB-CZ 3.69Å; I873-F938 HydrophobicContact CG2-CB 4.24Å; I873-F938 HydrophobicContact CG2-CD2 4.32Å; D934-F938 WeakPolarHBondContact O-CB 3.05Å; D934-F938 PolarHBondContact O-N 2.68Å; T935-F938 PolarHBondContact O-N 3.38Å; W936-F938 PolarHBondContact O-N 3.13Å; F938-V940 VanDerWaalsContact C-N 3.28Å; F938-V940 PolarHBondContact O-N 2.67Å; F938-L941 HydrophobicContact CD2-CD2 3.99Å; F938-L941 HydrophobicContact CE2-CD2 4.17Å; F938-L941 WeakPolarHBondContact O-CB 3.42Å; F938-L941 PolarHBondContact O-N 3.32Å; F938-L942 HydrophobicContact CD1-CD1 4.15Å; F938-L942 HydrophobicContact CD1-CG 4.06Å; F938-L942 HydrophobicContact CE1-CD1 3.72Å; F938-L942 HydrophobicContact CE1-CD2 3.78Å; F938-L942 HydrophobicContact CE1-CG 3.57Å; F938-L942 HydrophobicContact CZ-CD2 3.87Å; F938-L942 HydrophobicContact CZ-CG 4.08Å; F938-L942 PolarHBondContact O-N 3.3Å; F938-F999 HydrophobicContact CB-CE1 3.68Å; F938-F999 HydrophobicContact CB-CZ 3.92Å; F938-F999 HydrophobicContact CD1-CE1 4.16Å; F938-F999 AromaticContact CD2-CE1 3.99Å; F938-F999 HydrophobicContact CD2-CE1 3.99Å; F938-F999 AromaticContact CG-CE1 3.66Å; F938-F999 HydrophobicContact CG-CE1 3.66Å; F938-F999 HydrophobicContact CG-CZ 4.4Å; F938-I1002 HydrophobicContact CD1-CD1 4.23Å; F938-I1002 HydrophobicContact CD1-CG2 3.94Å; F938-I1002 HydrophobicContact CE1-CG2 3.42Å; F938-I1002 VanDerWaalsContact CE1-CG2 3.42Å; F938-I1002 HydrophobicContact CZ-CG2 4.16Å; F938-I1006 HydrophobicContact CE1-CD1 4.05Å; F938-I1006 HydrophobicContact CZ-CD1 3.88Å
939	G	98.5	Very high	95.7	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-58.1	-40.4	169.5	0	0	0	0	0	112.5	T935 W936 L942 W943 W989	T935-G939 PolarHBondContact O-N 2.94Å; W936-G939 WeakPolarHBondContact O-CA 3.36Å; W936-G939 PolarHBondContact O-N 2.96Å; G939-L942 WeakPolarHBondContact O-CB 3.34Å; G939-L942 PolarHBondContact O-N 2.74Å; G939-W943 PolarHBondContact O-N 3.21Å; G939-W989 VanDerWaalsContact C-NE1 3.34Å; G939-W989 VanDerWaalsContact O-CZ2 3.22Å; G939-W989 WeakPolarHBondContact O-CZ2 3.33Å
940	V	98.6	Very high	96.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-69.7	-37.8	174.5	-176.6	0	0	0	0	111.6	W918 W936 S937 F938 W943 E944 P952 M971 W989	W918-V940 VanDerWaalsContact CD1-CG1 3.41Å; W918-V940 HydrophobicContact CD2-CG1 4.34Å; W918-V940 HydrophobicContact CG-CB 4.3Å; W918-V940 HydrophobicContact CG-CG1 3.9Å; W936-V940 PolarHBondContact O-N 3.31Å; W936-V940 VanDerWaalsContact O-N 3.09Å; S937-V940 CarbonylContact O-C 3.55Å; S937-V940 WeakPolarHBondContact O-CB 3.05Å; S937-V940 PolarHBondContact O-N 3.47Å; S937-V940 VanDerWaalsContact O-N 3.12Å; F938-V940 VanDerWaalsContact C-N 3.28Å; F938-V940 PolarHBondContact O-N 2.67Å; V940-W943 WeakPolarHBondContact O-CB 3.5Å; V940-W943 PolarHBondContact O-N 2.85Å; V940-W943 VanDerWaalsContact O-N 3.15Å; V940-E944 PolarHBondContact O-N 3.03Å; V940-P952 HydrophobicContact CG1-CB 3.72Å; V940-P952 HydrophobicContact CG1-CG 3.54Å; V940-M971 HydrophobicContact CG1-CE 4.14Å; V940-M971 HydrophobicContact CG2-CE 4.34Å; V940-W989 HydrophobicContact CG2-CZ2 4.33Å
941	L	98.6	Very high	96.7	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-61.6	-41.6	171.9	171.8	63.6	0	0	0	112.2	L827 I856 I873 A875 S937 F938 W943 E944 I945	L827-L941 HydrophobicContact CD2-CD1 4.21Å; I856-L941 HydrophobicContact CB-CD2 4.08Å; I856-L941 HydrophobicContact CG1-CD2 4.39Å; I856-L941 HydrophobicContact CG2-CD2 3.52Å; I873-L941 HydrophobicContact CG2-CB 4.2Å; I873-L941 HydrophobicContact CG2-CD2 3.65Å; A875-L941 HydrophobicContact CB-CD1 3.83Å; S937-L941 PolarHBondContact O-N 2.98Å; F938-L941 HydrophobicContact CD2-CD2 3.99Å; F938-L941 HydrophobicContact CE2-CD2 4.17Å; F938-L941 WeakPolarHBondContact O-CB 3.42Å; F938-L941 PolarHBondContact O-N 3.32Å; L941-W943 VanDerWaalsContact C-N 3.26Å; L941-W943 PolarHBondContact O-N 2.73Å; L941-E944 WeakPolarHBondContact O-CB 3.31Å; L941-E944 PolarHBondContact O-N 2.98Å; L941-E944 VanDerWaalsContact O-N 3.15Å; L941-I945 HydrophobicContact CD1-CD1 3.94Å; L941-I945 HydrophobicContact CD1-CG1 4.06Å; L941-I945 HydrophobicContact CD2-CD1 4.46Å; L941-I945 HydrophobicContact CG-CD1 3.81Å; L941-I945 HydrophobicContact CG-CG1 4.38Å; L941-I945 WeakPolarHBondContact O-CB 3.28Å; L941-I945 VanDerWaalsContact O-CG1 3.3Å; L941-I945 WeakPolarHBondContact O-CG1 3.41Å; L941-I945 PolarHBondContact O-N 3.1Å
942	L	98.6	Very high	97	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.01	7%	0.065	C	C	.	.	H	α-helix	trans	-56.9	-42.9	172	-73.8	177.9	0	0	0	110.8	A853 F938 G939 I945 F946 I984 M985	A853-L942 HydrophobicContact CB-CD2 3.58Å; F938-L942 HydrophobicContact CD1-CD1 4.15Å; F938-L942 HydrophobicContact CD1-CG 4.06Å; F938-L942 HydrophobicContact CE1-CD1 3.72Å; F938-L942 HydrophobicContact CE1-CD2 3.78Å; F938-L942 HydrophobicContact CE1-CG 3.57Å; F938-L942 HydrophobicContact CZ-CD2 3.87Å; F938-L942 HydrophobicContact CZ-CG 4.08Å; F938-L942 PolarHBondContact O-N 3.3Å; G939-L942 WeakPolarHBondContact O-CB 3.34Å; G939-L942 PolarHBondContact O-N 2.74Å; L942-I945 PolarHBondContact O-N 2.91Å; L942-F946 HydrophobicContact CD2-CE2 4.25Å; L942-F946 WeakPolarHBondContact O-CD2 3.41Å; L942-F946 PolarHBondContact O-N 3.3Å; L942-I984 HydrophobicContact CD1-CB 4.05Å; L942-I984 HydrophobicContact CD1-CG2 3.68Å; L942-M985 HydrophobicContact CB-CE 4.13Å; L942-M985 HydrophobicContact CB-CG 3.83Å; L942-M985 HydrophobicContact CB-SD 4.36Å; L942-M985 HydrophobicContact CD1-CG 4.12Å
943	W	98.6	Very high	96.9	Very high	18 Å²	18	12.4 Å²	12.4	7%	0.068	6%	0.057	C	C	.	.	H	α-helix	trans	-64.3	-41	175.6	-165.6	97.7	0	0	0	112.1	G939 V940 L941 I945 S947 M951 P952 P954 M971 D972 P974 M985 W989	G939-W943 PolarHBondContact O-N 3.21Å; V940-W943 WeakPolarHBondContact O-CB 3.5Å; V940-W943 PolarHBondContact O-N 2.85Å; V940-W943 VanDerWaalsContact O-N 3.15Å; L941-W943 VanDerWaalsContact C-N 3.26Å; L941-W943 PolarHBondContact O-N 2.73Å; W943-I945 PolarHBondContact O-N 2.84Å; W943-S947 WeakPolarHBondContact O-CB 3.5Å; W943-S947 PolarHBondContact O-N 2.79Å; W943-S947 PolarHBondContact O-OG 3.05Å; W943-M951 WeakPolarHBondContact CZ3-O 3.23Å; W943-P952 HydrophobicContact CE3-CG 4.44Å; W943-P954 HydrophobicContact CH2-CG 3.82Å; W943-P954 HydrophobicContact CZ2-CG 4.27Å; W943-M971 HydrophobicContact CB-CE 3.62Å; W943-M971 HydrophobicContact CD2-CE 3.86Å; W943-M971 HydrophobicContact CD2-SD 3.68Å; W943-M971 HydrophobicContact CE3-CE 4.38Å; W943-M971 HydrophobicContact CE3-SD 4.02Å; W943-M971 HydrophobicContact CG-CB 4.48Å; W943-M971 HydrophobicContact CG-CE 3.49Å; W943-M971 VanDerWaalsContact CG-CE 3.49Å; W943-M971 HydrophobicContact CG-SD 3.94Å; W943-M971 HydrophobicContact CZ2-SD 4.4Å; W943-D972 PolarHBondContact NE1-O 3.27Å; W943-P974 HydrophobicContact CD2-CG 4.32Å; W943-P974 HydrophobicContact CG-CG 4.03Å; W943-M985 HydrophobicContact CB-SD 3.93Å; W943-M985 HydrophobicContact CG-SD 4.38Å; W943-W989 HydrophobicContact CB-CH2 4.13Å; W943-W989 HydrophobicContact CB-CZ2 4.14Å; W943-W989 AromaticContact CD1-CH2 3.96Å; W943-W989 HydrophobicContact CG-CH2 4.32Å
944	E	98.4	Very high	96.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-60.7	-42.2	172.3	-69.7	-167.1	97.7	0	0	112.5	K828 A875 W918 V940 L941 S947 L948 G949 P952	K828-E944 IonicContact NZ-OE1 3.64Å; K828-E944 PolarHBondContact NZ-OE1 3.43Å; A875-E944 HydrophobicContact CB-CB 3.97Å; A875-E944 HydrophobicContact CB-CG 4.42Å; A875-E944 WeakPolarHBondContact CB-OE2 3.49Å; A875-E944 PolarHBondContact N-OE2 3.04Å; W918-E944 PolarHBondContact NE1-OE2 3.13Å; V940-E944 PolarHBondContact O-N 3.03Å; L941-E944 WeakPolarHBondContact O-CB 3.31Å; L941-E944 PolarHBondContact O-N 2.98Å; L941-E944 VanDerWaalsContact O-N 3.15Å; E944-S947 PolarHBondContact O-OG 3.15Å; E944-L948 PolarHBondContact O-N 3.42Å; E944-G949 WeakPolarHBondContact O-CA 3.03Å; E944-G949 PolarHBondContact O-N 2.72Å; E944-P952 HydrophobicContact CG-CG 3.63Å
945	I	98.3	Very high	96.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.3	-58.3	178.3	-71.5	165.9	0	0	0	110.3	L827 L831 L849 V852 A853 L941 L942 W943 S947 L948	L827-I945 HydrophobicContact CD2-CD1 4.35Å; L827-I945 HydrophobicContact CD2-CG1 4.1Å; L831-I945 HydrophobicContact CD1-CG1 4.37Å; L849-I945 HydrophobicContact CB-CG2 3.71Å; L849-I945 HydrophobicContact CD1-CG2 4.36Å; L849-I945 HydrophobicContact CD2-CG2 4.1Å; L849-I945 HydrophobicContact CG-CG2 4.26Å; V852-I945 HydrophobicContact CG1-CD1 3.91Å; V852-I945 HydrophobicContact CG1-CG1 4.26Å; A853-I945 HydrophobicContact CB-CD1 4.26Å; L941-I945 HydrophobicContact CD1-CD1 3.94Å; L941-I945 HydrophobicContact CD1-CG1 4.06Å; L941-I945 HydrophobicContact CD2-CD1 4.46Å; L941-I945 HydrophobicContact CG-CD1 3.81Å; L941-I945 HydrophobicContact CG-CG1 4.38Å; L941-I945 WeakPolarHBondContact O-CB 3.28Å; L941-I945 VanDerWaalsContact O-CG1 3.3Å; L941-I945 WeakPolarHBondContact O-CG1 3.41Å; L941-I945 PolarHBondContact O-N 3.1Å; L942-I945 PolarHBondContact O-N 2.91Å; W943-I945 PolarHBondContact O-N 2.84Å; I945-S947 VanDerWaalsContact C-N 3.29Å; I945-S947 PolarHBondContact O-N 3.22Å; I945-L948 PolarHBondContact O-N 3Å
946	F	97.9	Very high	95.6	Very high	3 Å²	3	25 Å²	25	1%	0.013	14%	0.135	C	C	.	.	H	α-helix	trans	-76.2	-13.3	-173.3	-75.2	-92.9	0	0	0	113.8	M846 L849 L850 A853 L942 L948 P974 V981 M985	M846-F946 HydrophobicContact CE-CD1 3.54Å; M846-F946 HydrophobicContact CE-CE1 3.62Å; M846-F946 HydrophobicContact SD-CD1 4.31Å; M846-F946 HydrophobicContact SD-CE1 4.14Å; L849-F946 HydrophobicContact CB-CD1 4.43Å; L849-F946 HydrophobicContact CB-CE1 3.98Å; L849-F946 HydrophobicContact CB-CE2 4.32Å; L849-F946 HydrophobicContact CB-CZ 3.9Å; L849-F946 HydrophobicContact CD1-CD1 4.16Å; L849-F946 HydrophobicContact CD1-CE1 4.45Å; L849-F946 HydrophobicContact CD1-CG 4.47Å; L850-F946 HydrophobicContact CD2-CZ 3.87Å; L850-F946 HydrophobicContact CG-CE1 4.49Å; L850-F946 HydrophobicContact CG-CZ 3.96Å; A853-F946 HydrophobicContact CB-CE2 4.45Å; L942-F946 HydrophobicContact CD2-CE2 4.25Å; L942-F946 WeakPolarHBondContact O-CD2 3.41Å; L942-F946 PolarHBondContact O-N 3.3Å; F946-L948 VanDerWaalsContact C-N 3.34Å; F946-P974 HydrophobicContact CB-CB 4.36Å; F946-P974 HydrophobicContact CB-CG 4.13Å; F946-P974 WeakPolarHBondContact O-CB 3.12Å; F946-V981 HydrophobicContact CD1-CG1 4.01Å; F946-V981 HydrophobicContact CD2-CG1 3.78Å; F946-V981 HydrophobicContact CE1-CG1 3.85Å; F946-V981 HydrophobicContact CE1-CG2 4.19Å; F946-V981 HydrophobicContact CE2-CG1 3.62Å; F946-V981 HydrophobicContact CG-CG1 3.99Å; F946-V981 HydrophobicContact CZ-CG1 3.66Å; F946-V981 HydrophobicContact CZ-CG2 4.27Å; F946-M985 HydrophobicContact CB-CE 3.98Å; F946-M985 HydrophobicContact CD2-CE 4.27Å; F946-M985 HydrophobicContact CG-CE 4.3Å
947	S	96.5	Very high	95	Very high	16 Å²	16	27.5 Å²	27.5	11%	0.112	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-2.7	165.4	65.6	0	0	0	0	114.2	W943 E944 I945 Y950	W943-S947 WeakPolarHBondContact O-CB 3.5Å; W943-S947 PolarHBondContact O-N 2.79Å; W943-S947 PolarHBondContact O-OG 3.05Å; E944-S947 PolarHBondContact O-OG 3.15Å; I945-S947 VanDerWaalsContact C-N 3.29Å; I945-S947 PolarHBondContact O-N 3.22Å; S947-Y950 WeakPolarHBondContact O-CD2 3.41Å; S947-Y950 PolarHBondContact OG-N 2.91Å
948	L	96.1	Very high	94.1	Very high	6 Å²	6	31.4 Å²	31.4	3%	0.031	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	46.2	-172.2	-51	175.9	0	0	0	112.8	L831 R835 L844 L849 E944 I945 F946 L1020	L831-L948 HydrophobicContact CD2-CD2 4.39Å; R835-L948 HydrophobicContact CG-CB 4.04Å; R835-L948 HydrophobicContact CG-CD1 4.26Å; R835-L948 VanDerWaalsContact CZ-O 3.27Å; R835-L948 PolarHBondContact NE-O 3.21Å; R835-L948 PolarHBondContact NH2-O 3.49Å; L844-L948 HydrophobicContact CD1-CD2 4.13Å; L849-L948 HydrophobicContact CD1-CD2 3.84Å; L849-L948 HydrophobicContact CD2-CD2 4.26Å; E944-L948 PolarHBondContact O-N 3.42Å; I945-L948 PolarHBondContact O-N 3Å; F946-L948 VanDerWaalsContact C-N 3.34Å; L948-L1020 HydrophobicContact CD1-CD2 4.33Å; L948-L1020 HydrophobicContact CD2-CD1 4.19Å; L948-L1020 HydrophobicContact CD2-CD2 4.07Å; L948-L1020 HydrophobicContact CG-CD2 4.35Å
949	G	94.1	Very high	93.2	Very high	3 Å²	3	36.5 Å²	36.5	3%	0.031	20%	0.197	C	C	.	.	S	Bend	trans	80.9	28.5	169.1	0	0	0	0	0	115.3	E944	E944-G949 WeakPolarHBondContact O-CA 3.03Å; E944-G949 PolarHBondContact O-N 2.72Å
950	Y	94.1	Very high	92.8	Very high	124 Å²	124	40.2 Å²	40.2	49%	0.486	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-65.5	171.9	169.2	-88.5	-111.2	0	0	0	111.7	K828 S947	K828-Y950 PolarHBondContact NZ-O 3.04Å; S947-Y950 WeakPolarHBondContact O-CD2 3.41Å; S947-Y950 PolarHBondContact OG-N 2.91Å
951	M	92.6	Very high	92.1	Very high	75 Å²	75	40.2 Å²	40.2	37%	0.369	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-82.3	126.7	167.8	-177.4	61.6	77.7	0	0	108.9	W918 W943 Y1130	W918-M951 HydrophobicContact CH2-SD 4.04Å; W943-M951 WeakPolarHBondContact CZ3-O 3.23Å; M951-Y1130 HydrophobicContact CE-CD1 4.36Å; M951-Y1130 HydrophobicContact CE-CE1 4.29Å
952	P	96.3	Very high	91.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	-52.8	146.7	171.3	-30	38.2	0	0	0	112.4	K917 W918 V940 W943 E944 M971	K917-P952 HydrophobicContact CB-CB 4.45Å; K917-P952 VanDerWaalsContact CD-O 3.3Å; K917-P952 WeakPolarHBondContact CD-O 3.44Å; K917-P952 PolarHBondContact NZ-O 3.44Å; W918-P952 HydrophobicContact CH2-CG 4.38Å; W918-P952 HydrophobicContact CZ2-CG 3.75Å; V940-P952 HydrophobicContact CG1-CB 3.72Å; V940-P952 HydrophobicContact CG1-CG 3.54Å; W943-P952 HydrophobicContact CE3-CG 4.44Å; E944-P952 HydrophobicContact CG-CG 3.63Å; P952-M971 HydrophobicContact CB-CE 4.21Å; P952-M971 HydrophobicContact CB-SD 3.78Å
953	Y	95.2	Very high	90.5	Very high	5 Å²	5	47.3 Å²	47.3	2%	0.02	25%	0.249	C	C	.	.	S	Bend	trans	47.3	73.1	-173.9	-53.4	-93.1	0	0	0	111.3	K917 K956 V961 F964 V965 M971	K917-Y953 HydrophobicContact CB-CD2 4.27Å; K917-Y953 HydrophobicContact CD-CD2 4.48Å; K917-Y953 PolarHBondContact NZ-O 3.05Å; K917-Y953 WeakPolarHBondContact O-CE2 3.35Å; Y953-K956 PolarHBondContact O-N 3.14Å; Y953-V961 HydrophobicContact CD1-CG1 4.21Å; Y953-V961 HydrophobicContact CD1-CG2 4.06Å; Y953-V961 HydrophobicContact CD2-CG1 3.7Å; Y953-V961 HydrophobicContact CD2-CG2 3.89Å; Y953-V961 HydrophobicContact CE1-CG1 4.31Å; Y953-V961 HydrophobicContact CE2-CG1 3.83Å; Y953-V961 HydrophobicContact CG-CB 4.39Å; Y953-V961 HydrophobicContact CG-CG1 3.93Å; Y953-V961 HydrophobicContact CG-CG2 3.49Å; Y953-V961 VanDerWaalsContact CG-CG2 3.49Å; Y953-F964 AromaticContact CD1-CD1 3.79Å; Y953-F964 HydrophobicContact CD1-CD1 3.79Å; Y953-F964 AromaticContact CD1-CE1 3.9Å; Y953-F964 HydrophobicContact CD1-CE1 3.9Å; Y953-F964 AromaticContact CE1-CD1 3.81Å; Y953-F964 HydrophobicContact CE1-CD1 3.81Å; Y953-F964 AromaticContact CE1-CE1 3.9Å; Y953-F964 HydrophobicContact CE1-CE1 3.9Å; Y953-V965 HydrophobicContact CE1-CG2 3.8Å; Y953-V965 WeakPolarHBondContact OH-CG2 3.35Å; Y953-M971 HydrophobicContact CD1-CG 3.46Å; Y953-M971 VanDerWaalsContact CD1-CG 3.46Å; Y953-M971 HydrophobicContact CD1-SD 4.22Å; Y953-M971 HydrophobicContact CD2-CE 4.48Å; Y953-M971 HydrophobicContact CD2-CG 4.07Å; Y953-M971 HydrophobicContact CD2-SD 3.73Å; Y953-M971 HydrophobicContact CE1-CG 3.42Å; Y953-M971 VanDerWaalsContact CE1-CG 3.42Å; Y953-M971 HydrophobicContact CE1-SD 4.32Å; Y953-M971 HydrophobicContact CE2-CE 4.02Å; Y953-M971 HydrophobicContact CE2-CG 4.02Å; Y953-M971 HydrophobicContact CE2-SD 3.83Å; Y953-M971 HydrophobicContact CG-CG 3.79Å; Y953-M971 HydrophobicContact CG-SD 3.91Å; Y953-M971 PolarHBondContact N-SD 3.37Å
954	P	88.1	Confident	90.1	Very high	72 Å²	72	49.4 Å²	49.4	47%	0.468	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	142.6	178.1	-27.2	36.1	0	0	0	112.1	W943 K956	W943-P954 HydrophobicContact CH2-CG 3.82Å; W943-P954 HydrophobicContact CZ2-CG 4.27Å; P954-K956 PolarHBondContact O-N 3.34Å
955	S	88	Confident	89.7	Confident	132 Å²	132	49.5 Å²	49.5	92%	0.923	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	-4.1	-179.5	-53.1	0	0	0	0	117.7
956	K	82.9	Confident	89	Confident	67 Å²	67	51.6 Å²	51.6	29%	0.291	27%	0.272	S	S	.	.			trans	-94.4	138	174.4	-67.8	-176.8	170.6	-69.9	0	112.2	K917 Y953 P954 E960 V961 F964	K917-K956 VanDerWaalsContact CE-O 3.31Å; K917-K956 WeakPolarHBondContact CE-O 3.46Å; K917-K956 PolarHBondContact NZ-O 3.46Å; Y953-K956 PolarHBondContact O-N 3.14Å; P954-K956 PolarHBondContact O-N 3.34Å; K956-E960 HydrophobicContact CB-CB 3.97Å; K956-E960 HydrophobicContact CG-CB 4.2Å; K956-V961 HydrophobicContact CB-CG2 3.7Å; K956-V961 HydrophobicContact CD-CG2 4.39Å; K956-F964 HydrophobicContact CD-CB 4.32Å; K956-F964 HydrophobicContact CD-CD1 4.24Å; K956-F964 HydrophobicContact CD-CG 4.23Å
957	S	85.7	Confident	88.3	Confident	54 Å²	54	56 Å²	56	38%	0.378	30%	0.303	S	S	.	.			trans	-71.7	176.3	166.6	67.3	0	0	0	0	112.3	Q959 E960 V961	S957-Q959 VanDerWaalsContact C-N 3.31Å; S957-Q959 PolarHBondContact O-N 2.98Å; S957-E960 WeakPolarHBondContact CB-OE2 3.24Å; S957-E960 PolarHBondContact N-OE2 3.13Å; S957-E960 WeakPolarHBondContact OG-CG 3.41Å; S957-E960 PolarHBondContact OG-N 2.96Å; S957-E960 PolarHBondContact OG-OE2 3.03Å; S957-V961 VanDerWaalsContact O-CG2 3.27Å; S957-V961 WeakPolarHBondContact O-CG2 3.46Å; S957-V961 PolarHBondContact O-N 3.42Å; S957-V961 VanDerWaalsContact O-N 3.08Å
958	N	80.8	Confident	87.8	Confident	82 Å²	82	57.1 Å²	57.1	44%	0.439	32%	0.318	S	S	.	.	H	α-helix	trans	-64.4	-35.7	177.1	-74.9	5.8	0	0	0	112.5	V916 V961 L962	V916-N958 HydrophobicContact CB-CB 4.14Å; V916-N958 HydrophobicContact CG1-CB 4.32Å; V916-N958 HydrophobicContact CG2-CB 4.29Å; N958-V961 PolarHBondContact O-N 2.94Å; N958-L962 PolarHBondContact O-N 3.41Å
959	Q	80.3	Confident	87.5	Confident	107 Å²	107	57.7 Å²	57.7	50%	0.5	33%	0.325	S	S	.	.	H	α-helix	trans	-69.1	-48.8	178.9	-175.8	61	26.6	0	0	111.1	S957 V961 L962 E963	S957-Q959 VanDerWaalsContact C-N 3.31Å; S957-Q959 PolarHBondContact O-N 2.98Å; Q959-V961 PolarHBondContact O-N 2.84Å; Q959-L962 WeakPolarHBondContact O-CB 3.29Å; Q959-L962 PolarHBondContact O-N 3.47Å; Q959-E963 WeakPolarHBondContact CG-OE1 3.43Å; Q959-E963 PolarHBondContact NE2-OE1 3.45Å; Q959-E963 PolarHBondContact O-N 2.84Å
960	E	88.3	Confident	87.5	Confident	78 Å²	78	59.9 Å²	59.9	36%	0.364	33%	0.333	S	S	.	.	H	α-helix	trans	-62.6	-24.3	175.5	-67.7	164	83.6	0	0	113.1	K956 S957 F964	K956-E960 HydrophobicContact CB-CB 3.97Å; K956-E960 HydrophobicContact CG-CB 4.2Å; S957-E960 WeakPolarHBondContact CB-OE2 3.24Å; S957-E960 PolarHBondContact N-OE2 3.13Å; S957-E960 WeakPolarHBondContact OG-CG 3.41Å; S957-E960 PolarHBondContact OG-N 2.96Å; S957-E960 PolarHBondContact OG-OE2 3.03Å; E960-F964 WeakPolarHBondContact O-CB 3.41Å; E960-F964 PolarHBondContact O-N 3.45Å; E960-F964 VanDerWaalsContact O-N 3.13Å
961	V	84.8	Confident	87.7	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.006	31%	0.311	C	S	.	.	H	α-helix	trans	-77.6	-42.2	171.9	171.2	0	0	0	0	111.3	K917 Y953 K956 S957 N958 Q959 E963 F964 V965	K917-V961 HydrophobicContact CD-CG2 4.32Å; K917-V961 HydrophobicContact CG-CB 4.42Å; K917-V961 HydrophobicContact CG-CG1 4.24Å; K917-V961 HydrophobicContact CG-CG2 4.21Å; Y953-V961 HydrophobicContact CD1-CG1 4.21Å; Y953-V961 HydrophobicContact CD1-CG2 4.06Å; Y953-V961 HydrophobicContact CD2-CG1 3.7Å; Y953-V961 HydrophobicContact CD2-CG2 3.89Å; Y953-V961 HydrophobicContact CE1-CG1 4.31Å; Y953-V961 HydrophobicContact CE2-CG1 3.83Å; Y953-V961 HydrophobicContact CG-CB 4.39Å; Y953-V961 HydrophobicContact CG-CG1 3.93Å; Y953-V961 HydrophobicContact CG-CG2 3.49Å; Y953-V961 VanDerWaalsContact CG-CG2 3.49Å; K956-V961 HydrophobicContact CB-CG2 3.7Å; K956-V961 HydrophobicContact CD-CG2 4.39Å; S957-V961 VanDerWaalsContact O-CG2 3.27Å; S957-V961 WeakPolarHBondContact O-CG2 3.46Å; S957-V961 PolarHBondContact O-N 3.42Å; S957-V961 VanDerWaalsContact O-N 3.08Å; N958-V961 PolarHBondContact O-N 2.94Å; Q959-V961 PolarHBondContact O-N 2.84Å; V961-E963 PolarHBondContact O-N 2.83Å; V961-F964 PolarHBondContact O-N 2.82Å; V961-V965 HydrophobicContact CG1-CG2 3.95Å; V961-V965 WeakPolarHBondContact O-CB 3.38Å; V961-V965 VanDerWaalsContact O-CG2 3.25Å; V961-V965 WeakPolarHBondContact O-CG2 3.45Å; V961-V965 PolarHBondContact O-N 3.46Å
962	L	80	Confident	87.7	Confident	49 Å²	49	57 Å²	57	26%	0.257	33%	0.327	S	S	.	.	H	α-helix	trans	-55.8	-52.2	174.9	-171.6	161.6	0	0	0	110.2	V916 F924 N958 Q959 V965 T966	V916-L962 HydrophobicContact CG1-CB 4.35Å; F924-L962 HydrophobicContact CD2-CD1 4.06Å; F924-L962 HydrophobicContact CD2-CD2 4.27Å; F924-L962 HydrophobicContact CD2-CG 3.72Å; F924-L962 HydrophobicContact CE2-CD1 4.47Å; F924-L962 HydrophobicContact CE2-CD2 4.01Å; F924-L962 HydrophobicContact CE2-CG 3.63Å; F924-L962 HydrophobicContact CG-CD1 4.41Å; F924-L962 HydrophobicContact CG-CG 4.32Å; F924-L962 HydrophobicContact CZ-CG 4.13Å; N958-L962 PolarHBondContact O-N 3.41Å; Q959-L962 WeakPolarHBondContact O-CB 3.29Å; Q959-L962 PolarHBondContact O-N 3.47Å; L962-V965 PolarHBondContact O-N 3.07Å; L962-T966 VanDerWaalsContact O-CB 3.3Å; L962-T966 WeakPolarHBondContact O-CB 3.31Å; L962-T966 PolarHBondContact O-N 2.98Å; L962-T966 PolarHBondContact O-OG1 2.81Å
963	E	83.9	Confident	87.5	Confident	102 Å²	102	60 Å²	60	48%	0.477	35%	0.346	S	S	.	.	H	α-helix	trans	-61.9	-47.7	178.2	-69.8	162	-170.2	0	0	112	Q959 V961 V965 T966 S967	Q959-E963 WeakPolarHBondContact CG-OE1 3.43Å; Q959-E963 PolarHBondContact NE2-OE1 3.45Å; Q959-E963 PolarHBondContact O-N 2.84Å; V961-E963 PolarHBondContact O-N 2.83Å; E963-V965 PolarHBondContact O-N 2.85Å; E963-T966 PolarHBondContact O-N 3.16Å; E963-S967 WeakPolarHBondContact O-CB 3.22Å; E963-S967 PolarHBondContact O-N 3.13Å; E963-S967 PolarHBondContact O-OG 2.88Å
964	F	90.6	Very high	87.5	Confident	62 Å²	62	60.2 Å²	60.2	27%	0.272	35%	0.348	S	S	.	.	H	α-helix	trans	-65.1	-39.2	-179.6	178.6	-109.2	0	0	0	112.9	Y953 K956 E960 V961 S967 G969 R970	Y953-F964 AromaticContact CD1-CD1 3.79Å; Y953-F964 HydrophobicContact CD1-CD1 3.79Å; Y953-F964 AromaticContact CD1-CE1 3.9Å; Y953-F964 HydrophobicContact CD1-CE1 3.9Å; Y953-F964 AromaticContact CE1-CD1 3.81Å; Y953-F964 HydrophobicContact CE1-CD1 3.81Å; Y953-F964 AromaticContact CE1-CE1 3.9Å; Y953-F964 HydrophobicContact CE1-CE1 3.9Å; K956-F964 HydrophobicContact CD-CB 4.32Å; K956-F964 HydrophobicContact CD-CD1 4.24Å; K956-F964 HydrophobicContact CD-CG 4.23Å; E960-F964 WeakPolarHBondContact O-CB 3.41Å; E960-F964 PolarHBondContact O-N 3.45Å; E960-F964 VanDerWaalsContact O-N 3.13Å; V961-F964 PolarHBondContact O-N 2.82Å; F964-S967 WeakPolarHBondContact CA-OG 3.36Å; F964-S967 PolarHBondContact O-OG 2.98Å; F964-G969 WeakPolarHBondContact O-CA 3.17Å; F964-G969 PolarHBondContact O-N 2.73Å; F964-R970 WeakPolarHBondContact CE1-O 3.39Å; F964-R970 VanDerWaalsContact CZ-O 3.31Å; F964-R970 WeakPolarHBondContact CZ-O 3.29Å
965	V	89.7	Confident	87.5	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.006	36%	0.356	C	S	.	.	H	α-helix	trans	-70.7	-40.9	178	163.7	0	0	0	0	111.4	P921 F924 W936 Y953 V961 L962 E963 G968 R970	P921-V965 HydrophobicContact CG-CG1 4.01Å; F924-V965 HydrophobicContact CE1-CG1 4.26Å; F924-V965 HydrophobicContact CZ-CB 4.36Å; F924-V965 HydrophobicContact CZ-CG1 3.94Å; W936-V965 HydrophobicContact CH2-CG1 3.61Å; W936-V965 HydrophobicContact CZ2-CB 4.47Å; W936-V965 HydrophobicContact CZ2-CG1 3.4Å; W936-V965 VanDerWaalsContact CZ2-CG1 3.4Å; W936-V965 HydrophobicContact CZ2-CG2 4.22Å; Y953-V965 HydrophobicContact CE1-CG2 3.8Å; Y953-V965 WeakPolarHBondContact OH-CG2 3.35Å; V961-V965 HydrophobicContact CG1-CG2 3.95Å; V961-V965 WeakPolarHBondContact O-CB 3.38Å; V961-V965 VanDerWaalsContact O-CG2 3.25Å; V961-V965 WeakPolarHBondContact O-CG2 3.45Å; V961-V965 PolarHBondContact O-N 3.46Å; L962-V965 PolarHBondContact O-N 3.07Å; E963-V965 PolarHBondContact O-N 2.85Å; V965-G968 PolarHBondContact O-N 2.77Å; V965-R970 PolarHBondContact O-NH1 3.26Å
966	T	82.7	Confident	87.6	Confident	44 Å²	44	61.1 Å²	61.1	27%	0.27	33%	0.332	S	S	.	.	H	α-helix	trans	-66.3	-42.7	179.5	-53.6	0	0	0	0	111.3	F924 M925 L962 E963 G968	F924-T966 WeakPolarHBondContact CE2-OG1 3.47Å; M925-T966 HydrophobicContact CE-CG2 4.38Å; M925-T966 HydrophobicContact SD-CG2 3.76Å; L962-T966 VanDerWaalsContact O-CB 3.3Å; L962-T966 WeakPolarHBondContact O-CB 3.31Å; L962-T966 PolarHBondContact O-N 2.98Å; L962-T966 PolarHBondContact O-OG1 2.81Å; E963-T966 PolarHBondContact O-N 3.16Å; T966-G968 PolarHBondContact O-N 3.05Å
967	S	83.5	Confident	88.1	Confident	95 Å²	95	58.8 Å²	58.8	66%	0.664	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	15.9	173.4	54.1	0	0	0	0	114.6	E963 F964 G969	E963-S967 WeakPolarHBondContact O-CB 3.22Å; E963-S967 PolarHBondContact O-N 3.13Å; E963-S967 PolarHBondContact O-OG 2.88Å; F964-S967 WeakPolarHBondContact CA-OG 3.36Å; F964-S967 PolarHBondContact O-OG 2.98Å; S967-G969 VanDerWaalsContact C-N 3.3Å; S967-G969 PolarHBondContact O-N 3.37Å
968	G	87	Confident	88.4	Confident	41 Å²	41	56.8 Å²	56.8	42%	0.423	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.3	-9.4	174.1	0	0	0	0	0	115.6	V965 T966 R970	V965-G968 PolarHBondContact O-N 2.77Å; T966-G968 PolarHBondContact O-N 3.05Å; G968-R970 VanDerWaalsContact C-NH1 3.26Å; G968-R970 PolarHBondContact O-NH1 3.23Å
969	G	88.4	Confident	88.7	Confident	18 Å²	18	55 Å²	55	19%	0.186	31%	0.311	C	S	.	.			trans	-59.9	143.3	176.6	0	0	0	0	0	113.5	F964 S967	F964-G969 WeakPolarHBondContact O-CA 3.17Å; F964-G969 PolarHBondContact O-N 2.73Å; S967-G969 VanDerWaalsContact C-N 3.3Å; S967-G969 PolarHBondContact O-N 3.37Å
970	R	95.6	Very high	89.2	Confident	49 Å²	49	52 Å²	52	19%	0.185	30%	0.3	C	S	.	.			trans	-134.3	161.6	-177.9	-59.2	-61.2	177.7	-104	5.5	110.5	W936 F964 V965 G968 W989	W936-R970 VanDerWaalsContact CH2-CZ 3.49Å; F964-R970 WeakPolarHBondContact CE1-O 3.39Å; F964-R970 VanDerWaalsContact CZ-O 3.31Å; F964-R970 WeakPolarHBondContact CZ-O 3.29Å; V965-R970 PolarHBondContact O-NH1 3.26Å; G968-R970 VanDerWaalsContact C-NH1 3.26Å; G968-R970 PolarHBondContact O-NH1 3.23Å; R970-W989 HydrophobicContact CB-CE3 4.15Å; R970-W989 HydrophobicContact CG-CE3 4.46Å; R970-W989 PolarHBondContact NE-O 3.08Å; R970-W989 PolarHBondContact NH2-O 3.23Å
971	M	96.9	Very high	89.3	Confident	7 Å²	7	48.3 Å²	48.3	3%	0.034	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-74.3	135.4	176.2	-63.1	-174.9	-73.6	0	0	111.1	V940 W943 P952 Y953 Y982 W989	V940-M971 HydrophobicContact CG1-CE 4.14Å; V940-M971 HydrophobicContact CG2-CE 4.34Å; W943-M971 HydrophobicContact CB-CE 3.62Å; W943-M971 HydrophobicContact CD2-CE 3.86Å; W943-M971 HydrophobicContact CD2-SD 3.68Å; W943-M971 HydrophobicContact CE3-CE 4.38Å; W943-M971 HydrophobicContact CE3-SD 4.02Å; W943-M971 HydrophobicContact CG-CB 4.48Å; W943-M971 HydrophobicContact CG-CE 3.49Å; W943-M971 VanDerWaalsContact CG-CE 3.49Å; W943-M971 HydrophobicContact CG-SD 3.94Å; W943-M971 HydrophobicContact CZ2-SD 4.4Å; P952-M971 HydrophobicContact CB-CE 4.21Å; P952-M971 HydrophobicContact CB-SD 3.78Å; Y953-M971 HydrophobicContact CD1-CG 3.46Å; Y953-M971 VanDerWaalsContact CD1-CG 3.46Å; Y953-M971 HydrophobicContact CD1-SD 4.22Å; Y953-M971 HydrophobicContact CD2-CE 4.48Å; Y953-M971 HydrophobicContact CD2-CG 4.07Å; Y953-M971 HydrophobicContact CD2-SD 3.73Å; Y953-M971 HydrophobicContact CE1-CG 3.42Å; Y953-M971 VanDerWaalsContact CE1-CG 3.42Å; Y953-M971 HydrophobicContact CE1-SD 4.32Å; Y953-M971 HydrophobicContact CE2-CE 4.02Å; Y953-M971 HydrophobicContact CE2-CG 4.02Å; Y953-M971 HydrophobicContact CE2-SD 3.83Å; Y953-M971 HydrophobicContact CG-CG 3.79Å; Y953-M971 HydrophobicContact CG-SD 3.91Å; Y953-M971 PolarHBondContact N-SD 3.37Å; M971-Y982 WeakPolarHBondContact O-CE2 3.06Å; M971-Y982 PolarHBondContact O-OH 2.62Å; M971-Y982 VanDerWaalsContact O-OH 3.06Å; M971-W989 HydrophobicContact CB-CH2 4.13Å; M971-W989 HydrophobicContact CB-CZ3 4.34Å; M971-W989 HydrophobicContact CE-CH2 3.57Å; M971-W989 HydrophobicContact CE-CZ2 3.4Å; M971-W989 VanDerWaalsContact CE-CZ2 3.4Å
972	D	93.1	Very high	89.9	Confident	131 Å²	131	50.8 Å²	50.8	70%	0.701	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-53.1	153.6	169.2	-70	-58.1	0	0	0	112.9	W943	W943-D972 PolarHBondContact NE1-O 3.27Å
973	P	92.1	Very high	90.5	Very high	63 Å²	63	55.8 Å²	55.8	41%	0.409	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-56.9	136	173.7	23.8	-33.6	0	0	0	111.1	C977 Y982	P973-C977 HydrophobicContact CB-CB 4.44Å; P973-Y982 HydrophobicContact CB-CD1 4.01Å; P973-Y982 HydrophobicContact CB-CD2 3.76Å; P973-Y982 HydrophobicContact CB-CE1 4.3Å; P973-Y982 HydrophobicContact CB-CE2 4.07Å; P973-Y982 HydrophobicContact CB-CG 3.73Å; P973-Y982 HydrophobicContact CG-CD1 4.41Å; P973-Y982 HydrophobicContact CG-CE1 4.34Å
974	P	94.3	Very high	91.1	Very high	9 Å²	9	51.1 Å²	51.1	6%	0.058	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-55.7	153.8	171.9	-24.9	33.2	0	0	0	112.4	W943 F946 N976 C977 M985	W943-P974 HydrophobicContact CD2-CG 4.32Å; W943-P974 HydrophobicContact CG-CG 4.03Å; F946-P974 HydrophobicContact CB-CB 4.36Å; F946-P974 HydrophobicContact CB-CG 4.13Å; F946-P974 WeakPolarHBondContact O-CB 3.12Å; P974-N976 PolarHBondContact O-N 3.18Å; P974-C977 HydrophobicContact CB-CB 4.02Å; P974-C977 HydrophobicContact CG-CB 4.27Å; P974-C977 WeakPolarHBondContact O-CB 3.01Å; P974-C977 PolarHBondContact O-N 2.98Å; P974-M985 HydrophobicContact CG-CE 4.17Å
975	K	88.5	Confident	91.4	Very high	146 Å²	146	48.1 Å²	48.1	64%	0.635	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	123.9	-177.7	-175.1	177.7	177.9	-176.9	0	111	C977 P1021	K975-C977 VanDerWaalsContact C-N 3.27Å; K975-C977 PolarHBondContact O-N 3.27Å; K975-P1021 HydrophobicContact CB-CB 4.46Å; K975-P1021 HydrophobicContact CB-CG 4.29Å; K975-P1021 HydrophobicContact CD-CB 3.78Å; K975-P1021 HydrophobicContact CD-CG 4.44Å; K975-P1021 HydrophobicContact CG-CB 3.95Å; K975-P1021 HydrophobicContact CG-CG 4.31Å
976	N	91	Very high	91.7	Very high	77 Å²	77	49.9 Å²	49.9	41%	0.412	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	22.3	-172.5	-53.6	15.5	0	0	0	114.6	P974 P978 T1018 A1019	P974-N976 PolarHBondContact O-N 3.18Å; N976-P978 WeakPolarHBondContact O-CD 3.35Å; N976-T1018 HydrophobicContact CB-CG2 4.44Å; N976-T1018 VanDerWaalsContact O-CG2 3.31Å; N976-T1018 WeakPolarHBondContact O-CG2 3.46Å; N976-A1019 WeakPolarHBondContact CB-O 3.06Å; N976-A1019 PolarHBondContact ND2-O 3.35Å
977	C	94	Very high	92.2	Very high	19 Å²	19	50.4 Å²	50.4	13%	0.128	28%	0.284	C	S	.	.			trans	-70.8	126.3	173	-172.2	0	0	0	0	111	P973 P974 K975	P973-C977 HydrophobicContact CB-CB 4.44Å; P974-C977 HydrophobicContact CB-CB 4.02Å; P974-C977 HydrophobicContact CG-CB 4.27Å; P974-C977 WeakPolarHBondContact O-CB 3.01Å; P974-C977 PolarHBondContact O-N 2.98Å; K975-C977 VanDerWaalsContact C-N 3.27Å; K975-C977 PolarHBondContact O-N 3.27Å
978	P	91.6	Very high	92.9	Very high	11 Å²	11	45.9 Å²	45.9	7%	0.071	25%	0.252	C	S	.	.			trans	-64.1	139.1	177.1	-25.6	37	0	0	0	112.4	M846 N976 P980 V981 Y982 V1015 T1018	M846-P978 WeakPolarHBondContact SD-CD 3.35Å; M846-P978 HydrophobicContact SD-CG 3.62Å; N976-P978 WeakPolarHBondContact O-CD 3.35Å; P978-P980 VanDerWaalsContact C-CD 3.48Å; P978-P980 VanDerWaalsContact C-N 3.34Å; P978-V981 HydrophobicContact CB-CG2 4.29Å; P978-V981 WeakPolarHBondContact O-CB 3.42Å; P978-V981 PolarHBondContact O-N 3.47Å; P978-Y982 PolarHBondContact O-N 3.16Å; P978-Y982 VanDerWaalsContact O-N 3.13Å; P978-V1015 HydrophobicContact CB-CB 4.29Å; P978-V1015 HydrophobicContact CB-CG1 3.95Å; P978-V1015 HydrophobicContact CB-CG2 4.03Å; P978-V1015 HydrophobicContact CG-CB 4.49Å; P978-V1015 HydrophobicContact CG-CG1 3.93Å; P978-T1018 HydrophobicContact CG-CG2 4.07Å
979	G	87.5	Confident	93.5	Very high	46 Å²	46	44 Å²	44	47%	0.474	23%	0.232	S	C	.	.	H	α-helix	trans	-51.5	-40.2	-180	0	0	0	0	0	115.3	V981 Y982 R983	G979-V981 VanDerWaalsContact C-N 3.35Å; G979-V981 PolarHBondContact O-N 3.09Å; G979-Y982 PolarHBondContact O-N 2.65Å; G979-R983 WeakPolarHBondContact O-CB 3.09Å; G979-R983 PolarHBondContact O-N 3.13Å
980	P	90.1	Very high	93.9	Very high	42 Å²	42	47 Å²	47	27%	0.273	24%	0.241	S	C	.	.	H	α-helix	trans	-58.2	-41.4	172.9	-28.8	38.5	0	0	0	113.6	P978 R983 I984 C1009 V1015	P978-P980 VanDerWaalsContact C-CD 3.48Å; P978-P980 VanDerWaalsContact C-N 3.34Å; P980-R983 WeakPolarHBondContact O-CB 3.2Å; P980-R983 PolarHBondContact O-N 2.84Å; P980-I984 PolarHBondContact O-N 3.42Å; P980-C1009 VanDerWaalsContact CB-SG 3.6Å; P980-V1015 HydrophobicContact CB-CG2 4.03Å; P980-V1015 HydrophobicContact CG-CG2 3.72Å
981	V	90.8	Very high	93.6	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.006	25%	0.25	C	S	.	.	H	α-helix	trans	-69.8	-44.5	-179.9	-179.2	0	0	0	0	111.2	L850 F946 P978 G979 R983 I984 M985 C1009 V1015	L850-V981 HydrophobicContact CD2-CG2 4.18Å; F946-V981 HydrophobicContact CD1-CG1 4.01Å; F946-V981 HydrophobicContact CD2-CG1 3.78Å; F946-V981 HydrophobicContact CE1-CG1 3.85Å; F946-V981 HydrophobicContact CE1-CG2 4.19Å; F946-V981 HydrophobicContact CE2-CG1 3.62Å; F946-V981 HydrophobicContact CG-CG1 3.99Å; F946-V981 HydrophobicContact CZ-CG1 3.66Å; F946-V981 HydrophobicContact CZ-CG2 4.27Å; P978-V981 HydrophobicContact CB-CG2 4.29Å; P978-V981 WeakPolarHBondContact O-CB 3.42Å; P978-V981 PolarHBondContact O-N 3.47Å; G979-V981 VanDerWaalsContact C-N 3.35Å; G979-V981 PolarHBondContact O-N 3.09Å; V981-R983 PolarHBondContact O-N 3.37Å; V981-I984 WeakPolarHBondContact O-CB 3.07Å; V981-I984 PolarHBondContact O-N 2.99Å; V981-M985 HydrophobicContact CG1-CE 4.03Å; V981-M985 PolarHBondContact O-N 2.75Å; V981-C1009 HydrophobicContact CG2-CB 4.21Å; V981-V1015 HydrophobicContact CG2-CG1 3.96Å
982	Y	97.3	Very high	93.2	Very high	53 Å²	53	52.8 Å²	52.8	21%	0.208	27%	0.27	C	S	.	.	H	α-helix	trans	-64.5	-28.1	176.5	-178.7	-118.1	0	0	0	112.9	M971 P973 P978 G979 I984 M985 T986 W989	M971-Y982 WeakPolarHBondContact O-CE2 3.06Å; M971-Y982 PolarHBondContact O-OH 2.62Å; M971-Y982 VanDerWaalsContact O-OH 3.06Å; P973-Y982 HydrophobicContact CB-CD1 4.01Å; P973-Y982 HydrophobicContact CB-CD2 3.76Å; P973-Y982 HydrophobicContact CB-CE1 4.3Å; P973-Y982 HydrophobicContact CB-CE2 4.07Å; P973-Y982 HydrophobicContact CB-CG 3.73Å; P973-Y982 HydrophobicContact CG-CD1 4.41Å; P973-Y982 HydrophobicContact CG-CE1 4.34Å; P978-Y982 PolarHBondContact O-N 3.16Å; P978-Y982 VanDerWaalsContact O-N 3.13Å; G979-Y982 PolarHBondContact O-N 2.65Å; Y982-I984 VanDerWaalsContact C-N 3.3Å; Y982-I984 PolarHBondContact O-N 3.17Å; Y982-M985 HydrophobicContact CD2-CB 4.34Å; Y982-M985 HydrophobicContact CD2-SD 4Å; Y982-M985 PolarHBondContact O-N 2.91Å; Y982-T986 HydrophobicContact CD1-CG2 4.35Å; Y982-T986 HydrophobicContact CD2-CG2 4.41Å; Y982-T986 HydrophobicContact CE1-CG2 3.78Å; Y982-T986 HydrophobicContact CE2-CG2 3.84Å; Y982-T986 VanDerWaalsContact CZ-CG2 3.48Å; Y982-T986 PolarHBondContact O-N 3.47Å; Y982-T986 PolarHBondContact O-OG1 3.35Å; Y982-W989 HydrophobicContact CE2-CZ3 4.25Å
983	R	92.1	Very high	93.2	Very high	154 Å²	154	48 Å²	48	58%	0.581	25%	0.246	S	C	*	.	H	α-helix	trans	-62.1	-36.9	171.2	-160.1	-171.8	-53.5	-101.8	-0.5	112	G979 P980 V981 T986 Q987	G979-R983 WeakPolarHBondContact O-CB 3.09Å; G979-R983 PolarHBondContact O-N 3.13Å; P980-R983 WeakPolarHBondContact O-CB 3.2Å; P980-R983 PolarHBondContact O-N 2.84Å; V981-R983 PolarHBondContact O-N 3.37Å; R983-T986 WeakPolarHBondContact CA-OG1 3.48Å; R983-T986 PolarHBondContact O-OG1 3.04Å; R983-Q987 VanDerWaalsContact O-CB 3.31Å; R983-Q987 WeakPolarHBondContact O-CB 3.49Å; R983-Q987 WeakPolarHBondContact O-CG 3.22Å; R983-Q987 PolarHBondContact O-N 3.11Å; R983-Q987 PolarHBondContact O-OE1 3.34Å
984	I	95.9	Very high	93.1	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-64.1	-45.6	174.4	-50.8	176.9	0	0	0	109.9	L942 P980 V981 Y982 T986 Q987 C988 I1002 R1005 I1006	L942-I984 HydrophobicContact CD1-CB 4.05Å; L942-I984 HydrophobicContact CD1-CG2 3.68Å; P980-I984 PolarHBondContact O-N 3.42Å; V981-I984 WeakPolarHBondContact O-CB 3.07Å; V981-I984 PolarHBondContact O-N 2.99Å; Y982-I984 VanDerWaalsContact C-N 3.3Å; Y982-I984 PolarHBondContact O-N 3.17Å; I984-T986 PolarHBondContact O-N 2.94Å; I984-Q987 PolarHBondContact O-N 3.34Å; I984-C988 PolarHBondContact O-N 3Å; I984-C988 PolarHBondContact O-SG 2.74Å; I984-C988 VanDerWaalsContact O-SG 3.33Å; I984-I1002 HydrophobicContact CG2-CG2 4.41Å; I984-R1005 HydrophobicContact CD1-CB 3.66Å; I984-R1005 HydrophobicContact CG1-CB 3.87Å; I984-I1006 HydrophobicContact CD1-CG1 3.88Å
985	M	98.3	Very high	93	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-58.1	-50.7	178.3	-51.7	-174.3	-162.9	0	0	111.8	L942 W943 F946 P974 V981 Y982 Q987 C988 W989	L942-M985 HydrophobicContact CB-CE 4.13Å; L942-M985 HydrophobicContact CB-CG 3.83Å; L942-M985 HydrophobicContact CB-SD 4.36Å; L942-M985 HydrophobicContact CD1-CG 4.12Å; W943-M985 HydrophobicContact CB-SD 3.93Å; W943-M985 HydrophobicContact CG-SD 4.38Å; F946-M985 HydrophobicContact CB-CE 3.98Å; F946-M985 HydrophobicContact CD2-CE 4.27Å; F946-M985 HydrophobicContact CG-CE 4.3Å; P974-M985 HydrophobicContact CG-CE 4.17Å; V981-M985 HydrophobicContact CG1-CE 4.03Å; V981-M985 PolarHBondContact O-N 2.75Å; Y982-M985 HydrophobicContact CD2-CB 4.34Å; Y982-M985 HydrophobicContact CD2-SD 4Å; Y982-M985 PolarHBondContact O-N 2.91Å; M985-Q987 VanDerWaalsContact C-N 3.29Å; M985-Q987 PolarHBondContact O-N 2.92Å; M985-C988 WeakPolarHBondContact O-CB 3.48Å; M985-C988 PolarHBondContact O-N 3.34Å; M985-C988 VanDerWaalsContact O-N 3.12Å; M985-W989 HydrophobicContact CB-CE3 4.24Å; M985-W989 HydrophobicContact CB-CH2 3.72Å; M985-W989 HydrophobicContact CB-CZ2 4.03Å; M985-W989 HydrophobicContact CB-CZ3 3.84Å; M985-W989 HydrophobicContact CG-CH2 4.46Å; M985-W989 VanDerWaalsContact O-CD2 3.23Å; M985-W989 VanDerWaalsContact O-CG 3.28Å; M985-W989 PolarHBondContact O-N 2.74Å; M985-W989 HydrophobicContact SD-CH2 4.13Å
986	T	95.7	Very high	93.4	Very high	38 Å²	38	49.2 Å²	49.2	23%	0.233	25%	0.251	C	S	.	.	H	α-helix	trans	-68.6	-25.6	-179.3	48.7	0	0	0	0	113.3	Y982 R983 I984 W989 Q990	Y982-T986 HydrophobicContact CD1-CG2 4.35Å; Y982-T986 HydrophobicContact CD2-CG2 4.41Å; Y982-T986 HydrophobicContact CE1-CG2 3.78Å; Y982-T986 HydrophobicContact CE2-CG2 3.84Å; Y982-T986 VanDerWaalsContact CZ-CG2 3.48Å; Y982-T986 PolarHBondContact O-N 3.47Å; Y982-T986 PolarHBondContact O-OG1 3.35Å; R983-T986 WeakPolarHBondContact CA-OG1 3.48Å; R983-T986 PolarHBondContact O-OG1 3.04Å; I984-T986 PolarHBondContact O-N 2.94Å; T986-W989 HydrophobicContact CG2-CE3 4.34Å; T986-W989 CarbonylContact O-C 3.52Å; T986-W989 PolarHBondContact O-N 2.04Å; T986-Q990 PolarHBondContact O-N 2.04Å; T986-Q990 PolarHBondContact O-NE2 3.25Å
987	Q	93.4	Very high	93.6	Very high	55 Å²	55	45.9 Å²	45.9	26%	0.257	23%	0.234	S	C	.	.	H	α-helix	trans	-75.3	-35.3	169.2	-72.8	170.8	-35.6	0	0	112.6	R983 I984 M985 W989 Q990 P997	R983-Q987 VanDerWaalsContact O-CB 3.31Å; R983-Q987 WeakPolarHBondContact O-CB 3.49Å; R983-Q987 WeakPolarHBondContact O-CG 3.22Å; R983-Q987 PolarHBondContact O-N 3.11Å; R983-Q987 PolarHBondContact O-OE1 3.34Å; I984-Q987 PolarHBondContact O-N 3.34Å; M985-Q987 VanDerWaalsContact C-N 3.29Å; M985-Q987 PolarHBondContact O-N 2.92Å; Q987-W989 PolarHBondContact O-N 3.37Å; Q987-Q990 WeakPolarHBondContact O-CG 3.47Å; Q987-P997 HydrophobicContact CB-CG 4.45Å; Q987-P997 WeakPolarHBondContact O-CD 3.5Å
988	C	97.9	Very high	93.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.1	-25.8	169.9	-69.1	0	0	0	0	112.8	T935 I984 M985 R996	T935-C988 HydrophobicContact CG2-CB 3.98Å; T935-C988 WeakPolarHBondContact O-CB 3.07Å; I984-C988 PolarHBondContact O-N 3Å; I984-C988 PolarHBondContact O-SG 2.74Å; I984-C988 VanDerWaalsContact O-SG 3.33Å; M985-C988 WeakPolarHBondContact O-CB 3.48Å; M985-C988 PolarHBondContact O-N 3.34Å; M985-C988 VanDerWaalsContact O-N 3.12Å; C988-R996 WeakPolarHBondContact O-CD 3.4Å
989	W	98.3	Very high	94	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	24.5	178.5	-49.8	-39.9	0	0	0	115.2	W936 G939 V940 W943 R970 M971 Y982 M985 T986 Q987	W936-W989 HydrophobicContact CD2-CB 4.47Å; W936-W989 AromaticContact CD2-CD1 3.7Å; W936-W989 HydrophobicContact CD2-CG 4.44Å; W936-W989 AromaticContact CE2-CD1 3.79Å; W936-W989 HydrophobicContact CE3-CB 4.06Å; W936-W989 HydrophobicContact CE3-CG 4.49Å; W936-W989 HydrophobicContact CH2-CB 3.98Å; W936-W989 HydrophobicContact CZ2-CB 4.4Å; W936-W989 HydrophobicContact CZ2-CG 4.46Å; W936-W989 HydrophobicContact CZ3-CB 3.81Å; W936-W989 WeakPolarHBondContact CZ3-O 3.47Å; W936-W989 PolarHBondContact O-NE1 2.78Å; G939-W989 VanDerWaalsContact C-NE1 3.34Å; G939-W989 VanDerWaalsContact O-CZ2 3.22Å; G939-W989 WeakPolarHBondContact O-CZ2 3.33Å; V940-W989 HydrophobicContact CG2-CZ2 4.33Å; W943-W989 HydrophobicContact CB-CH2 4.13Å; W943-W989 HydrophobicContact CB-CZ2 4.14Å; W943-W989 AromaticContact CD1-CH2 3.96Å; W943-W989 HydrophobicContact CG-CH2 4.32Å; R970-W989 HydrophobicContact CB-CE3 4.15Å; R970-W989 HydrophobicContact CG-CE3 4.46Å; R970-W989 PolarHBondContact NE-O 3.08Å; R970-W989 PolarHBondContact NH2-O 3.23Å; M971-W989 HydrophobicContact CB-CH2 4.13Å; M971-W989 HydrophobicContact CB-CZ3 4.34Å; M971-W989 HydrophobicContact CE-CH2 3.57Å; M971-W989 HydrophobicContact CE-CZ2 3.4Å; M971-W989 VanDerWaalsContact CE-CZ2 3.4Å; Y982-W989 HydrophobicContact CE2-CZ3 4.25Å; M985-W989 HydrophobicContact CB-CE3 4.24Å; M985-W989 HydrophobicContact CB-CH2 3.72Å; M985-W989 HydrophobicContact CB-CZ2 4.03Å; M985-W989 HydrophobicContact CB-CZ3 3.84Å; M985-W989 HydrophobicContact CG-CH2 4.46Å; M985-W989 VanDerWaalsContact O-CD2 3.23Å; M985-W989 VanDerWaalsContact O-CG 3.28Å; M985-W989 PolarHBondContact O-N 2.74Å; M985-W989 HydrophobicContact SD-CH2 4.13Å; T986-W989 HydrophobicContact CG2-CE3 4.34Å; T986-W989 CarbonylContact O-C 3.52Å; T986-W989 PolarHBondContact O-N 2.04Å; Q987-W989 PolarHBondContact O-N 3.37Å
990	Q	96.6	Very high	94.4	Very high	81 Å²	81	47.2 Å²	47.2	38%	0.379	24%	0.235	S	C	.	.			trans	-59	141.8	166	-66.9	-55.7	-65.5	0	0	110	T986 Q987 D995 R996	T986-Q990 PolarHBondContact O-N 2.04Å; T986-Q990 PolarHBondContact O-NE2 3.25Å; Q987-Q990 WeakPolarHBondContact O-CG 3.47Å; Q990-D995 HydrophobicContact CB-CB 3.77Å; Q990-D995 HydrophobicContact CG-CB 4.02Å; Q990-R996 HydrophobicContact CB-CG 4.06Å; Q990-R996 PolarHBondContact O-NE 2.8Å
991	H	90.2	Very high	94.7	Very high	80 Å²	80	48 Å²	48	37%	0.37	24%	0.236	S	C	.	.	S	Bend	trans	-63.2	-53	-175.1	-171.3	110.4	0	0	0	110.1	R996	H991-R996 PolarHBondContact O-NH2 2.96Å
992	Q	89.6	Confident	95	Very high	97 Å²	97	48 Å²	48	45%	0.453	24%	0.236	S	C	.	.	S	Bend	trans	-71.8	132.2	177	-57.2	-56.6	-9.5	0	0	111.6	E994 D995	Q992-E994 VanDerWaalsContact C-N 3.27Å; Q992-E994 HydrophobicContact CB-CG 3.96Å; Q992-E994 PolarHBondContact O-N 3.09Å; Q992-D995 PolarHBondContact O-N 3.45Å
993	P	91.7	Very high	95	Very high	30 Å²	30	46.6 Å²	46.6	20%	0.195	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-33.5	178.6	-26.7	35.4	0	0	0	114.5	E922 K932 R996	E922-P993 HydrophobicContact CG-CG 4.27Å; K932-P993 HydrophobicContact CB-CB 3.95Å; K932-P993 HydrophobicContact CG-CB 4.38Å; K932-P993 VanDerWaalsContact CG-O 3.29Å; K932-P993 WeakPolarHBondContact CG-O 3.36Å; K932-P993 PolarHBondContact NZ-O 2.88Å; P993-R996 PolarHBondContact O-N 3.16Å
994	E	90.1	Very high	95.2	Very high	134 Å²	134	45.8 Å²	45.8	63%	0.626	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-45.3	179.2	45	-93.9	-120.7	0	0	113	K932 Q992 R996	K932-E994 PolarHBondContact NZ-O 3.3Å; Q992-E994 VanDerWaalsContact C-N 3.27Å; Q992-E994 HydrophobicContact CB-CG 3.96Å; Q992-E994 PolarHBondContact O-N 3.09Å; E994-R996 PolarHBondContact O-N 2.82Å
995	D	91.4	Very high	95.2	Very high	107 Å²	107	49.4 Å²	49.4	57%	0.572	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-20.5	-178.6	-68.6	-40.4	0	0	0	113.5	Q990 Q992	Q990-D995 HydrophobicContact CB-CB 3.77Å; Q990-D995 HydrophobicContact CG-CB 4.02Å; Q992-D995 PolarHBondContact O-N 3.45Å
996	R	97.8	Very high	95.1	Very high	3 Å²	3	49.5 Å²	49.5	1%	0.011	25%	0.249	C	C	.	.	S	Bend	trans	-68.7	136.2	177.2	-53	176.9	-163.4	153.2	9.7	110.1	E922 K932 T935 C988 Q990 H991 P993 E994	E922-R996 IonicContact OE1-CZ 2.66Å; E922-R996 IonicContact OE1-NH1 2.68Å; E922-R996 PolarHBondContact OE1-NH1 2.87Å; E922-R996 IonicContact OE1-NH2 3.72Å; E922-R996 IonicContact OE2-CZ 2.8Å; E922-R996 IonicContact OE2-NH1 3.29Å; E922-R996 PolarHBondContact OE2-NH1 2.81Å; E922-R996 IonicContact OE2-NH2 3.07Å; E922-R996 PolarHBondContact OE2-NH2 3.41Å; K932-R996 HydrophobicContact CD-CB 4.47Å; K932-R996 WeakPolarHBondContact CE-O 3.46Å; K932-R996 PolarHBondContact NZ-O 3.04Å; K932-R996 WeakPolarHBondContact O-CD 3.47Å; K932-R996 PolarHBondContact O-NH1 3.42Å; T935-R996 HydrophobicContact CG2-CB 3.77Å; C988-R996 WeakPolarHBondContact O-CD 3.4Å; Q990-R996 HydrophobicContact CB-CG 4.06Å; Q990-R996 PolarHBondContact O-NE 2.8Å; H991-R996 PolarHBondContact O-NH2 2.96Å; P993-R996 PolarHBondContact O-N 3.16Å; E994-R996 PolarHBondContact O-N 2.82Å
997	P	95.9	Very high	95	Very high	7 Å²	7	51.1 Å²	51.1	5%	0.045	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-66.3	149.6	179.2	28.8	-35.3	0	0	0	112.3	T935 Q987 I1001 I1002	T935-P997 HydrophobicContact CG2-CG 4.43Å; T935-P997 VanDerWaalsContact CG2-O 3.23Å; T935-P997 WeakPolarHBondContact CG2-O 3.35Å; T935-P997 PolarHBondContact OG1-O 3.33Å; Q987-P997 HydrophobicContact CB-CG 4.45Å; Q987-P997 WeakPolarHBondContact O-CD 3.5Å; P997-I1001 HydrophobicContact CB-CB 3.94Å; P997-I1001 HydrophobicContact CB-CG2 3.63Å; P997-I1002 HydrophobicContact CB-CG1 4.01Å; P997-I1002 HydrophobicContact CG-CD1 4.16Å; P997-I1002 HydrophobicContact CG-CG1 3.71Å
998	N	96.1	Very high	94.9	Very high	57 Å²	57	56 Å²	56	31%	0.305	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-75.8	169.6	164.5	68	5.6	0	0	0	110.6	E864 A1000 I1001 I1002	E864-N998 WeakPolarHBondContact OE1-CB 3.18Å; N998-A1000 VanDerWaalsContact C-N 3.27Å; N998-A1000 PolarHBondContact O-N 3.23Å; N998-I1001 PolarHBondContact O-N 2.66Å; N998-I1001 WeakPolarHBondContact OD1-CB 3.47Å; N998-I1001 WeakPolarHBondContact OD1-CD1 3.47Å; N998-I1001 VanDerWaalsContact OD1-CG1 3.23Å; N998-I1001 WeakPolarHBondContact OD1-CG1 3.46Å; N998-I1001 PolarHBondContact OD1-N 2.87Å; N998-I1002 WeakPolarHBondContact O-CG1 3.44Å; N998-I1002 PolarHBondContact O-N 3.06Å
999	F	98	Very high	94.6	Very high	1 Å²	1	56.1 Å²	56.1	0%	0.004	27%	0.272	C	S	.	.	H	α-helix	trans	-68.2	-25	-174.1	-77.6	-76.1	0	0	0	114.1	A857 C860 Q861 E864 D934 F938 I1002 L1003	A857-F999 HydrophobicContact CB-CD1 4.47Å; C860-F999 HydrophobicContact CB-CD1 3.45Å; C860-F999 VanDerWaalsContact CB-CD1 3.45Å; C860-F999 HydrophobicContact CB-CD2 3.81Å; C860-F999 HydrophobicContact CB-CE1 3.27Å; C860-F999 HydrophobicContact CB-CE2 3.66Å; C860-F999 HydrophobicContact CB-CG 3.72Å; C860-F999 HydrophobicContact CB-CZ 3.38Å; Q861-F999 HydrophobicContact CB-CB 3.73Å; Q861-F999 HydrophobicContact CG-CB 4.39Å; E864-F999 HydrophobicContact CB-CD2 4.29Å; E864-F999 WeakPolarHBondContact OE2-CD2 3.4Å; E864-F999 PolarHBondContact OE2-N 2.85Å; D934-F999 HydrophobicContact CB-CE2 4.19Å; D934-F999 HydrophobicContact CB-CZ 4.27Å; F938-F999 HydrophobicContact CB-CE1 3.68Å; F938-F999 HydrophobicContact CB-CZ 3.92Å; F938-F999 HydrophobicContact CD1-CE1 4.16Å; F938-F999 AromaticContact CD2-CE1 3.99Å; F938-F999 HydrophobicContact CD2-CE1 3.99Å; F938-F999 AromaticContact CG-CE1 3.66Å; F938-F999 HydrophobicContact CG-CE1 3.66Å; F938-F999 HydrophobicContact CG-CZ 4.4Å; F999-I1002 HydrophobicContact CD1-CD1 3.78Å; F999-I1002 HydrophobicContact CE1-CD1 3.89Å; F999-I1002 HydrophobicContact CG-CD1 4.37Å; F999-I1002 PolarHBondContact O-N 3.49Å; F999-L1003 WeakPolarHBondContact O-CB 3.37Å; F999-L1003 WeakPolarHBondContact O-CG 3.27Å; F999-L1003 PolarHBondContact O-N 3.06Å
1000	A	95.9	Very high	94.5	Very high	47 Å²	47	57 Å²	57	39%	0.388	28%	0.277	S	S	.	.	H	α-helix	trans	-62.7	-46.7	171.3	0	0	0	0	0	112.3	N998 I1002 L1003 E1004	N998-A1000 VanDerWaalsContact C-N 3.27Å; N998-A1000 PolarHBondContact O-N 3.23Å; A1000-I1002 VanDerWaalsContact C-N 3.33Å; A1000-I1002 PolarHBondContact O-N 2.82Å; A1000-L1003 PolarHBondContact O-N 3.46Å; A1000-E1004 PolarHBondContact O-N 2.89Å
1001	I	95.1	Very high	94.3	Very high	59 Å²	59	59.5 Å²	59.5	30%	0.303	29%	0.289	S	S	.	.	H	α-helix	trans	-68.1	-33.2	176.6	-68.5	166.5	0	0	0	111.3	P997 N998 R1005	P997-I1001 HydrophobicContact CB-CB 3.94Å; P997-I1001 HydrophobicContact CB-CG2 3.63Å; N998-I1001 PolarHBondContact O-N 2.66Å; N998-I1001 WeakPolarHBondContact OD1-CB 3.47Å; N998-I1001 WeakPolarHBondContact OD1-CD1 3.47Å; N998-I1001 VanDerWaalsContact OD1-CG1 3.23Å; N998-I1001 WeakPolarHBondContact OD1-CG1 3.46Å; N998-I1001 PolarHBondContact OD1-N 2.87Å; I1001-R1005 VanDerWaalsContact CG2-NH2 3.28Å; I1001-R1005 VanDerWaalsContact O-CG 3.29Å; I1001-R1005 WeakPolarHBondContact O-CG 3.48Å; I1001-R1005 PolarHBondContact O-N 3.27Å
1002	I	97.6	Very high	94.3	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.3	-46	173.1	-69.2	169.3	0	0	0	110.4	A857 T935 F938 I984 P997 N998 F999 A1000 R1005 I1006	A857-I1002 HydrophobicContact CB-CG2 4.16Å; T935-I1002 HydrophobicContact CG2-CD1 4.07Å; F938-I1002 HydrophobicContact CD1-CD1 4.23Å; F938-I1002 HydrophobicContact CD1-CG2 3.94Å; F938-I1002 HydrophobicContact CE1-CG2 3.42Å; F938-I1002 VanDerWaalsContact CE1-CG2 3.42Å; F938-I1002 HydrophobicContact CZ-CG2 4.16Å; I984-I1002 HydrophobicContact CG2-CG2 4.41Å; P997-I1002 HydrophobicContact CB-CG1 4.01Å; P997-I1002 HydrophobicContact CG-CD1 4.16Å; P997-I1002 HydrophobicContact CG-CG1 3.71Å; N998-I1002 WeakPolarHBondContact O-CG1 3.44Å; N998-I1002 PolarHBondContact O-N 3.06Å; F999-I1002 HydrophobicContact CD1-CD1 3.78Å; F999-I1002 HydrophobicContact CE1-CD1 3.89Å; F999-I1002 HydrophobicContact CG-CD1 4.37Å; F999-I1002 PolarHBondContact O-N 3.49Å; A1000-I1002 VanDerWaalsContact C-N 3.33Å; A1000-I1002 PolarHBondContact O-N 2.82Å; I1002-R1005 PolarHBondContact O-N 3.22Å; I1002-I1006 HydrophobicContact CG2-CD1 3.68Å; I1002-I1006 HydrophobicContact CG2-CG1 4.37Å; I1002-I1006 WeakPolarHBondContact O-CG1 3.41Å; I1002-I1006 PolarHBondContact O-N 3.11Å
1003	L	98	Very high	94.4	Very high	23 Å²	23	56.3 Å²	56.3	12%	0.12	28%	0.282	C	S	.	.	H	α-helix	trans	-63.4	-43.8	178.7	-78.8	163.4	0	0	0	112.5	R854 A857 C858 Q861 F999 A1000 R1005 I1006 E1007	R854-L1003 HydrophobicContact CB-CD2 4.49Å; R854-L1003 HydrophobicContact CG-CD2 3.77Å; A857-L1003 HydrophobicContact CB-CD2 3.61Å; A857-L1003 HydrophobicContact CB-CG 3.84Å; C858-L1003 VanDerWaalsContact SG-CD2 3.52Å; Q861-L1003 HydrophobicContact CB-CD1 4.2Å; F999-L1003 WeakPolarHBondContact O-CB 3.37Å; F999-L1003 WeakPolarHBondContact O-CG 3.27Å; F999-L1003 PolarHBondContact O-N 3.06Å; A1000-L1003 PolarHBondContact O-N 3.46Å; L1003-R1005 VanDerWaalsContact C-N 3.28Å; L1003-R1005 PolarHBondContact O-N 3.19Å; L1003-I1006 PolarHBondContact O-N 3.43Å; L1003-E1007 WeakPolarHBondContact O-CB 3.28Å; L1003-E1007 PolarHBondContact O-N 3.19Å
1004	E	95.5	Very high	94.2	Very high	137 Å²	137	61.2 Å²	61.2	64%	0.64	31%	0.306	S	S	*	.	H	α-helix	trans	-54.6	-44.7	173.2	-175.6	-174.6	-169.9	0	0	111.6	A1000 E1007 Y1008	A1000-E1004 PolarHBondContact O-N 2.89Å; E1004-E1007 PolarHBondContact O-N 3.46Å; E1004-Y1008 PolarHBondContact O-N 3.16Å
1005	R	95.4	Very high	94.3	Very high	80 Å²	80	55 Å²	55	30%	0.302	28%	0.277	S	S	.	.	H	α-helix	trans	-71.6	-36	179.6	-67.6	172.2	-174.2	166	8.3	113.1	I984 I1001 I1002 L1003 C1009	I984-R1005 HydrophobicContact CD1-CB 3.66Å; I984-R1005 HydrophobicContact CG1-CB 3.87Å; I1001-R1005 VanDerWaalsContact CG2-NH2 3.28Å; I1001-R1005 VanDerWaalsContact O-CG 3.29Å; I1001-R1005 WeakPolarHBondContact O-CG 3.48Å; I1001-R1005 PolarHBondContact O-N 3.27Å; I1002-R1005 PolarHBondContact O-N 3.22Å; L1003-R1005 VanDerWaalsContact C-N 3.28Å; L1003-R1005 PolarHBondContact O-N 3.19Å; R1005-C1009 PolarHBondContact O-N 2.86Å; R1005-C1009 PolarHBondContact O-SG 2.79Å
1006	I	96.5	Very high	94.4	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-68.4	-40.3	174.2	-66.5	168.5	0	0	0	110.5	L850 A853 R854 A857 F938 I984 I1002 L1003 C1009 T1010	L850-I1006 HydrophobicContact CD2-CG2 4.24Å; A853-I1006 HydrophobicContact CB-CD1 4.14Å; R854-I1006 HydrophobicContact CB-CG2 3.85Å; A857-I1006 HydrophobicContact CB-CD1 4.06Å; F938-I1006 HydrophobicContact CE1-CD1 4.05Å; F938-I1006 HydrophobicContact CZ-CD1 3.88Å; I984-I1006 HydrophobicContact CD1-CG1 3.88Å; I1002-I1006 HydrophobicContact CG2-CD1 3.68Å; I1002-I1006 HydrophobicContact CG2-CG1 4.37Å; I1002-I1006 WeakPolarHBondContact O-CG1 3.41Å; I1002-I1006 PolarHBondContact O-N 3.11Å; L1003-I1006 PolarHBondContact O-N 3.43Å; I1006-C1009 CarbonylContact O-C 3.01Å; I1006-C1009 WeakPolarHBondContact O-CB 3.13Å; I1006-C1009 PolarHBondContact O-N 2.76Å; I1006-T1010 WeakPolarHBondContact O-CB 3.4Å; I1006-T1010 PolarHBondContact O-N 3.12Å; I1006-T1010 PolarHBondContact O-OG1 3.06Å
1007	E	94.1	Very high	94.1	Very high	72 Å²	72	58.2 Å²	58.2	34%	0.336	29%	0.294	S	S	.	.	H	α-helix	trans	-65.5	-42.1	177.2	-173.9	57.1	-144	0	0	110.9	L1003 E1004 C1009 T1010 Q1011	L1003-E1007 WeakPolarHBondContact O-CB 3.28Å; L1003-E1007 PolarHBondContact O-N 3.19Å; E1004-E1007 PolarHBondContact O-N 3.46Å; E1007-C1009 VanDerWaalsContact C-N 3.35Å; E1007-C1009 PolarHBondContact O-N 3.42Å; E1007-T1010 WeakPolarHBondContact O-CA 3.08Å; E1007-T1010 WeakPolarHBondContact O-CB 3.5Å; E1007-T1010 PolarHBondContact O-N 3.14Å; E1007-Q1011 WeakPolarHBondContact O-CG 3.21Å; E1007-Q1011 PolarHBondContact O-N 3.46Å; E1007-Q1011 PolarHBondContact OE1-NE2 3.27Å
1008	Y	91.2	Very high	93.9	Very high	158 Å²	158	60.1 Å²	60.1	62%	0.62	31%	0.306	S	S	*	.	H	α-helix	trans	-56	-47.7	169.7	-174.2	-82.7	0	0	0	111.7	E1004 T1010 Q1011 D1012	E1004-Y1008 PolarHBondContact O-N 3.16Å; Y1008-T1010 PolarHBondContact O-N 3.1Å; Y1008-Q1011 PolarHBondContact O-N 3.21Å; Y1008-Q1011 VanDerWaalsContact O-N 3.15Å; Y1008-D1012 WeakPolarHBondContact O-CB 3.44Å; Y1008-D1012 PolarHBondContact O-N 3.47Å
1009	C	92.4	Very high	93.7	Very high	3 Å²	3	60.8 Å²	60.8	2%	0.02	32%	0.32	C	S	.	.	H	α-helix	trans	-63.6	-20.4	175.1	-67.3	0	0	0	0	113.8	L850 P980 V981 R1005 I1006 E1007 V1015	L850-C1009 WeakPolarHBondContact CD1-O 3.45Å; L850-C1009 HydrophobicContact CD2-CB 3.7Å; P980-C1009 VanDerWaalsContact CB-SG 3.6Å; V981-C1009 HydrophobicContact CG2-CB 4.21Å; R1005-C1009 PolarHBondContact O-N 2.86Å; R1005-C1009 PolarHBondContact O-SG 2.79Å; I1006-C1009 CarbonylContact O-C 3.01Å; I1006-C1009 WeakPolarHBondContact O-CB 3.13Å; I1006-C1009 PolarHBondContact O-N 2.76Å; E1007-C1009 VanDerWaalsContact C-N 3.35Å; E1007-C1009 PolarHBondContact O-N 3.42Å; C1009-V1015 HydrophobicContact CB-CG1 4.13Å; C1009-V1015 VanDerWaalsContact O-CG1 3.24Å; C1009-V1015 WeakPolarHBondContact O-CG1 3.39Å
1010	T	94.6	Very high	93.4	Very high	18 Å²	18	61.7 Å²	61.7	11%	0.11	32%	0.324	C	S	.	.	H	α-helix	trans	-85.5	-23.7	178	-57	0	0	0	0	112	L847 I1006 E1007 Y1008 I1016	L847-T1010 HydrophobicContact CD1-CG2 3.7Å; I1006-T1010 WeakPolarHBondContact O-CB 3.4Å; I1006-T1010 PolarHBondContact O-N 3.12Å; I1006-T1010 PolarHBondContact O-OG1 3.06Å; E1007-T1010 WeakPolarHBondContact O-CA 3.08Å; E1007-T1010 WeakPolarHBondContact O-CB 3.5Å; E1007-T1010 PolarHBondContact O-N 3.14Å; Y1008-T1010 PolarHBondContact O-N 3.1Å; T1010-I1016 WeakPolarHBondContact O-CG2 3.5Å
1011	Q	92.4	Very high	93.1	Very high	135 Å²	135	60.6 Å²	60.6	63%	0.631	31%	0.313	S	S	*	.	H	α-helix	trans	-94.8	-22.4	177.1	-63.9	177.3	22.1	0	0	113	E1007 Y1008 P1013	E1007-Q1011 WeakPolarHBondContact O-CG 3.21Å; E1007-Q1011 PolarHBondContact O-N 3.46Å; E1007-Q1011 PolarHBondContact OE1-NE2 3.27Å; Y1008-Q1011 PolarHBondContact O-N 3.21Å; Y1008-Q1011 VanDerWaalsContact O-N 3.15Å; Q1011-P1013 VanDerWaalsContact O-CD 3.31Å; Q1011-P1013 WeakPolarHBondContact O-CD 3.38Å
1012	D	91.1	Very high	92.7	Very high	32 Å²	32	60.9 Å²	60.9	17%	0.171	31%	0.314	C	S	.	.			trans	-69	114.9	178.1	-174.2	-25.9	0	0	0	112.1	Y1008 D1014 V1015 I1016	Y1008-D1012 WeakPolarHBondContact O-CB 3.44Å; Y1008-D1012 PolarHBondContact O-N 3.47Å; D1012-D1014 VanDerWaalsContact C-N 3.32Å; D1012-D1014 PolarHBondContact O-N 3.15Å; D1012-D1014 PolarHBondContact OD1-N 3.24Å; D1012-V1015 HydrophobicContact CB-CB 4.06Å; D1012-V1015 HydrophobicContact CB-CG2 3.83Å; D1012-V1015 PolarHBondContact O-N 2.9Å; D1012-V1015 PolarHBondContact OD1-N 3.32Å; D1012-I1016 PolarHBondContact O-N 3.36Å; D1012-I1016 VanDerWaalsContact O-N 3.11Å
1013	P	90.7	Very high	91.9	Very high	78 Å²	78	63.5 Å²	63.5	51%	0.506	33%	0.327	S	S	.	.	H	α-helix	trans	-60.5	-35.4	179.8	-24.5	36	0	0	0	114.2	Q1011 V1015 N1017	Q1011-P1013 VanDerWaalsContact O-CD 3.31Å; Q1011-P1013 WeakPolarHBondContact O-CD 3.38Å; P1013-V1015 VanDerWaalsContact C-N 3.33Å; P1013-N1017 VanDerWaalsContact O-CB 3.28Å; P1013-N1017 WeakPolarHBondContact O-CB 3.35Å; P1013-N1017 PolarHBondContact O-N 3.5Å; P1013-N1017 VanDerWaalsContact O-N 3.08Å; P1013-N1017 PolarHBondContact O-ND2 2.97Å
1014	D	88.6	Confident	90.6	Very high	133 Å²	133	72 Å²	72	71%	0.711	36%	0.359	S	S	*	.	H	α-helix	trans	-73.9	-31.7	-175.5	-69	-18.9	0	0	0	110.5	D1012 T1018	D1012-D1014 VanDerWaalsContact C-N 3.32Å; D1012-D1014 PolarHBondContact O-N 3.15Å; D1012-D1014 PolarHBondContact OD1-N 3.24Å; D1014-T1018 PolarHBondContact O-OG1 2.88Å
1015	V	91.1	Very high	88.8	Confident	2 Å²	2	67.3 Å²	67.3	1%	0.012	35%	0.347	C	S	.	.	H	α-helix	trans	-68.6	-55.8	171.8	178.5	0	0	0	0	110.9	M846 L850 P978 P980 V981 C1009 D1012 P1013 N1017 T1018	M846-V1015 WeakPolarHBondContact CG-O 3.35Å; L850-V1015 HydrophobicContact CD1-CG1 4.06Å; P978-V1015 HydrophobicContact CB-CB 4.29Å; P978-V1015 HydrophobicContact CB-CG1 3.95Å; P978-V1015 HydrophobicContact CB-CG2 4.03Å; P978-V1015 HydrophobicContact CG-CB 4.49Å; P978-V1015 HydrophobicContact CG-CG1 3.93Å; P980-V1015 HydrophobicContact CB-CG2 4.03Å; P980-V1015 HydrophobicContact CG-CG2 3.72Å; V981-V1015 HydrophobicContact CG2-CG1 3.96Å; C1009-V1015 HydrophobicContact CB-CG1 4.13Å; C1009-V1015 VanDerWaalsContact O-CG1 3.24Å; C1009-V1015 WeakPolarHBondContact O-CG1 3.39Å; D1012-V1015 HydrophobicContact CB-CB 4.06Å; D1012-V1015 HydrophobicContact CB-CG2 3.83Å; D1012-V1015 PolarHBondContact O-N 2.9Å; D1012-V1015 PolarHBondContact OD1-N 3.32Å; P1013-V1015 VanDerWaalsContact C-N 3.33Å; V1015-N1017 VanDerWaalsContact C-N 3.34Å; V1015-N1017 PolarHBondContact O-N 3.34Å; V1015-T1018 WeakPolarHBondContact O-CB 3.32Å; V1015-T1018 PolarHBondContact O-N 2.92Å
1016	I	94.6	Very high	86.4	Confident	51 Å²	51	69.6 Å²	69.6	26%	0.262	37%	0.372	S	S	.	.	H	α-helix	trans	-71.2	-26.2	-171.5	67.5	-178.5	0	0	0	113.9	L847 L850 T1010 D1012	L847-I1016 HydrophobicContact CD1-CG2 4.5Å; L850-I1016 HydrophobicContact CD1-CG2 3.92Å; T1010-I1016 WeakPolarHBondContact O-CG2 3.5Å; D1012-I1016 PolarHBondContact O-N 3.36Å; D1012-I1016 VanDerWaalsContact O-N 3.11Å
1017	N	91.8	Very high	83.7	Confident	127 Å²	127	76.2 Å²	76.2	68%	0.679	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-2.8	176.4	-67.1	-67	0	0	0	113.6	P1013 V1015 A1019	P1013-N1017 VanDerWaalsContact O-CB 3.28Å; P1013-N1017 WeakPolarHBondContact O-CB 3.35Å; P1013-N1017 PolarHBondContact O-N 3.5Å; P1013-N1017 VanDerWaalsContact O-N 3.08Å; P1013-N1017 PolarHBondContact O-ND2 2.97Å; V1015-N1017 VanDerWaalsContact C-N 3.34Å; V1015-N1017 PolarHBondContact O-N 3.34Å; N1017-A1019 PolarHBondContact O-N 3.44Å
1018	T	92.1	Very high	81.3	Confident	47 Å²	47	78.3 Å²	78.3	29%	0.288	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-63.1	126	174.9	-73	0	0	0	0	110.4	M846 N976 P978 D1014 V1015	M846-T1018 WeakPolarHBondContact CG-O 3.5Å; M846-T1018 HydrophobicContact SD-CG2 4.3Å; N976-T1018 HydrophobicContact CB-CG2 4.44Å; N976-T1018 VanDerWaalsContact O-CG2 3.31Å; N976-T1018 WeakPolarHBondContact O-CG2 3.46Å; P978-T1018 HydrophobicContact CG-CG2 4.07Å; D1014-T1018 PolarHBondContact O-OG1 2.88Å; V1015-T1018 WeakPolarHBondContact O-CB 3.32Å; V1015-T1018 PolarHBondContact O-N 2.92Å
1019	A	90.4	Very high	78.8	Confident	72 Å²	72	79.5 Å²	79.5	60%	0.595	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-76.2	128.2	-178	0	0	0	0	0	112	N976 N1017	N976-A1019 WeakPolarHBondContact CB-O 3.06Å; N976-A1019 PolarHBondContact ND2-O 3.35Å; N1017-A1019 PolarHBondContact O-N 3.44Å
1020	L	91.6	Very high	76.2	Confident	19 Å²	19	88.4 Å²	88.4	10%	0.099	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-63	150.3	172	-83.6	170.6	0	0	0	111.9	P836 L844 M846 L849 L948 I1022	P836-L1020 HydrophobicContact CG-CB 3.96Å; P836-L1020 HydrophobicContact CG-CD1 4.31Å; L844-L1020 HydrophobicContact CB-CD1 3.84Å; M846-L1020 HydrophobicContact CE-CD2 3.42Å; M846-L1020 VanDerWaalsContact CE-CD2 3.42Å; M846-L1020 HydrophobicContact CE-CG 3.89Å; L849-L1020 HydrophobicContact CD1-CD1 4.23Å; L849-L1020 HydrophobicContact CD1-CD2 3.9Å; L948-L1020 HydrophobicContact CD1-CD2 4.33Å; L948-L1020 HydrophobicContact CD2-CD1 4.19Å; L948-L1020 HydrophobicContact CD2-CD2 4.07Å; L948-L1020 HydrophobicContact CG-CD2 4.35Å; L1020-I1022 PolarHBondContact O-N 3Å
1021	P	89.5	Confident	73.3	Confident	24 Å²	24	96.3 Å²	96.3	16%	0.156	51%	0.513	C	S	.	.	P	Polyproline II helix	trans	-72.2	129	-178.7	30.4	-34.2	0	0	0	111.3	K975	K975-P1021 HydrophobicContact CB-CB 4.46Å; K975-P1021 HydrophobicContact CB-CG 4.29Å; K975-P1021 HydrophobicContact CD-CB 3.78Å; K975-P1021 HydrophobicContact CD-CG 4.44Å; K975-P1021 HydrophobicContact CG-CB 3.95Å; K975-P1021 HydrophobicContact CG-CG 4.31Å
1022	I	87.3	Confident	70.4	Confident	65 Å²	65	98.4 Å²	98.4	33%	0.333	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-76.2	128.3	175	-59.9	177.1	0	0	0	110.1	P836 P838 P841 L1020 Y1024	P836-I1022 HydrophobicContact CB-CG1 4.48Å; P836-I1022 WeakPolarHBondContact O-CA 3.41Å; P838-I1022 HydrophobicContact CG-CG2 4.1Å; P841-I1022 HydrophobicContact CB-CD1 4.41Å; L1020-I1022 PolarHBondContact O-N 3Å; I1022-Y1024 HydrophobicContact CB-CE2 4.49Å; I1022-Y1024 HydrophobicContact CG2-CE2 4.44Å
1023	E	80.6	Confident	67.5	Low	55 Å²	55	106.5 Å²	106.5	26%	0.257	56%	0.556	S	S	.	*			trans	-86	109.9	175.5	-176.6	176.7	-110.4	0	0	110.4	R835 P836 R837 P838 G1025	R835-E1023 WeakPolarHBondContact CD-OE1 3.43Å; R835-E1023 WeakPolarHBondContact CD-OE2 3.36Å; R835-E1023 IonicContact CZ-OE1 3.08Å; R835-E1023 IonicContact NE-OE1 3.37Å; R835-E1023 IonicContact NH1-OE1 3.81Å; R835-E1023 PolarHBondContact NH1-OE1 3.3Å; P836-E1023 PolarHBondContact O-N 2.84Å; R837-E1023 HydrophobicContact CG-CB 4.29Å; R837-E1023 IonicContact CZ-OE2 2.62Å; R837-E1023 IonicContact NE-OE2 2.75Å; R837-E1023 PolarHBondContact NE-OE2 3.47Å; R837-E1023 IonicContact NH2-OE2 2.94Å; R837-E1023 PolarHBondContact NH2-OE2 2.92Å; P838-E1023 WeakPolarHBondContact CD-O 3.36Å; E1023-G1025 PolarHBondContact O-N 2.88Å; E1023-G1025 VanDerWaalsContact O-N 3.13Å
1024	Y	70.6	Confident	64.4	Low	201 Å²	201	108.9 Å²	108.9	79%	0.788	57%	0.569	S	S	*	*			trans	-81.3	89.4	178.6	-73.4	-92.1	0	0	0	111.4	P838 I1022	P838-Y1024 HydrophobicContact CG-CD1 4.14Å; P838-Y1024 HydrophobicContact CG-CE1 4.37Å; I1022-Y1024 HydrophobicContact CB-CE2 4.49Å; I1022-Y1024 HydrophobicContact CG2-CE2 4.44Å
1025	G	58.5	Low	61.7	Low	39 Å²	39	108.3 Å²	108.3	40%	0.402	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-91.3	172.1	162.9	0	0	0	0	0	112.6	E1023	E1023-G1025 PolarHBondContact O-N 2.88Å; E1023-G1025 VanDerWaalsContact O-N 3.13Å
1026	P	44.8	Very low	58.9	Low	128 Å²	128	115 Å²	115	83%	0.831	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-59.1	140.2	168.7	27.2	-34.2	0	0	0	110.4	V1028	P1026-V1028 PolarHBondContact O-N 2.88Å
1027	L	40.1	Very low	55.6	Low	141 Å²	141	123.5 Å²	123.5	74%	0.738	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-64.5	128.3	174.1	-69.5	171.4	0	0	0	109.3	P838 E1029	P838-L1027 HydrophobicContact CB-CD2 4.17Å; L1027-E1029 PolarHBondContact O-N 3.35Å
1028	V	43.4	Very low	52.8	Low	117 Å²	117	123.2 Å²	123.2	71%	0.709	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-75.3	117.4	174.7	176	0	0	0	0	107.9	P1026	P1026-V1028 PolarHBondContact O-N 2.88Å
1029	E	38.2	Very low	50	Low	182 Å²	182	130.6 Å²	130.6	85%	0.85	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-58.5	136.8	165.2	-65	-176	136.2	0	0	108.7	L1027 E1031	L1027-E1029 PolarHBondContact O-N 3.35Å; E1029-E1031 PolarHBondContact O-N 3.46Å
1030	E	38.7	Very low	47.1	Very low	191 Å²	191	134.9 Å²	134.9	89%	0.893	69%	0.688	S	S	*	*			trans	-61.1	106.3	-165.2	-62.9	-173.6	115.9	0	0	112.9	E1032	E1030-E1032 PolarHBondContact O-N 3.2Å
1031	E	34.4	Very low	44.6	Very low	183 Å²	183	139.2 Å²	139.2	86%	0.855	72%	0.717	S	S	*	*			trans	-67.6	113.7	164.7	-80.1	-164.1	143.4	0	0	109.5	E1029 K1033	E1029-E1031 PolarHBondContact O-N 3.46Å; E1031-K1033 PolarHBondContact O-N 3.01Å
1032	E	31.6	Very low	41.7	Very low	180 Å²	180	147.8 Å²	147.8	84%	0.841	76%	0.755	S	S	*	*			trans	-58.8	120.1	-170.3	-170	176.4	-165.1	0	0	112.6	E1030 V1034	E1030-E1032 PolarHBondContact O-N 3.2Å; E1032-V1034 PolarHBondContact O-N 3.19Å
1033	K	29.1	Very low	38.9	Very low	201 Å²	201	148.4 Å²	148.4	87%	0.874	78%	0.778	S	S	*	*			trans	-66.1	104.4	179.8	-80.8	-178.5	176.3	172.2	0	112.1	E1031	E1031-K1033 PolarHBondContact O-N 3.01Å
1034	V	25.9	Very low	36.3	Very low	129 Å²	129	152.5 Å²	152.5	78%	0.782	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-73.8	129.5	165.5	-175.5	0	0	0	0	109.9	E1032	E1032-V1034 PolarHBondContact O-N 3.19Å
1035	P	31.6	Very low	34.5	Very low	120 Å²	120	148.2 Å²	148.2	78%	0.779	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-68.3	141.3	-173.9	-23.6	34.7	0	0	0	115.5
1036	V	31.4	Very low	33.3	Very low	142 Å²	142	151.9 Å²	151.9	86%	0.861	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-74.3	135.8	168.6	176.7	0	0	0	0	110.2
1037	R	27.1	Very low	32.3	Very low	231 Å²	231	153.7 Å²	153.7	87%	0.872	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-103.2	141.3	169.7	-158.7	170.8	-169	162.3	3.2	109.8
1038	P	33	Very low	31.6	Very low	121 Å²	121	155.3 Å²	155.3	79%	0.786	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-64	158	-176.4	-23.2	34.6	0	0	0	114
1039	K	31.7	Very low	30.6	Very low	202 Å²	202	155.9 Å²	155.9	88%	0.878	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-84.9	132.3	167.1	-64.7	-180	179.8	177.6	0	109.9
1040	D	29.3	Very low	29.9	Very low	162 Å²	162	152.2 Å²	152.2	87%	0.866	83%	0.828	S	S	*	*			trans	-154.3	154.3	138.8	-111.8	-27.2	0	0	0	109.1
1041	P	39.5	Very low	29.2	Very low	109 Å²	109	150.6 Å²	150.6	71%	0.708	82%	0.82	S	S	*	*			trans	-112.5	120.6	-169.8	36.6	-25.6	0	0	0	114.4
1042	E	29.3	Very low	28.7	Very low	205 Å²	205	150.5 Å²	150.5	96%	0.958	82%	0.82	S	S	*	*			trans	-170.5	159.9	149.5	-113.7	172	-144.6	0	0	110.9
1043	G	28.1	Very low	28.4	Very low	78 Å²	78	146.8 Å²	146.8	80%	0.804	82%	0.82	S	S	*	*			trans	92.8	77.2	165.6	0	0	0	0	0	118.8
1044	V	25.1	Very low	28.1	Very low	141 Å²	141	146.2 Å²	146.2	86%	0.855	82%	0.817	S	S	*	*			trans	-84.3	144.2	152.6	162.7	0	0	0	0	107.3
1045	P	33.5	Very low	28	Very low	111 Å²	111	149 Å²	149	72%	0.721	81%	0.814	S	S	*	*			cis	-138.5	-145.9	33.7	31.9	-5	0	0	0	113.4
1046	P	33.2	Very low	27.7	Very low	116 Å²	116	149.1 Å²	149.1	75%	0.753	80%	0.804	S	S	*	*				-119.6	-175.3	-74	37.3	-22.9	0	0	0	113.7
1047	L	24	Very low	27.5	Very low	166 Å²	166	150.1 Å²	150.1	87%	0.869	80%	0.799	S	S	*	*			trans	-42.8	132.9	168.5	-67.9	160	0	0	0	114.9
1048	L	25.8	Very low	27.4	Very low	174 Å²	174	145.1 Å²	145.1	91%	0.911	79%	0.786	S	S	*	*			trans	-159	156.5	136.3	-112.5	167	0	0	0	111.4
1049	V	22.5	Very low	27.1	Very low	129 Å²	129	148.8 Å²	148.8	78%	0.782	78%	0.784	S	S	*	*			trans	-111.3	130.9	-170.6	171.1	0	0	0	0	110
1050	S	23.3	Very low	26.8	Very low	105 Å²	105	144.1 Å²	144.1	73%	0.734	78%	0.776	S	S	*	*			trans	-165.6	139.9	130.2	-148.9	0	0	0	0	116.8
1051	Q	23.3	Very low	27.7	Very low	158 Å²	158	142 Å²	142	74%	0.738	77%	0.771	S	S	*	*			trans	-5.6	134.9	155.5	-62.1	173.5	-26.7	0	0	122.6
1052	Q	25	Very low	27.2	Very low	181 Å²	181	141.4 Å²	141.4	85%	0.846	78%	0.776	S	S	*	*				44.4	122.5	125.4	-56.8	177.9	-30.2	0	0	120.9
1053	A	25.2	Very low	27	Very low	101 Å²	101	136 Å²	136	84%	0.835	77%	0.766	S	S	*	*				-172.4	157.9	105.9	0	0	0	0	0	115.5
1054	K	22.8	Very low	28.1	Very low	189 Å²	189	137.8 Å²	137.8	82%	0.822	76%	0.764	S	S	*	*			trans	-44.1	166	161	-67	171.7	176.3	178.1	0	114.5
1055	R	24.1	Very low	29.5	Very low	189 Å²	189	136.7 Å²	136.7	71%	0.713	76%	0.759	S	S	*	*			cis	-163.3	177.5	9.5	-131	174.7	163.8	-153.8	-29.4	111.4
1056	E	25.3	Very low	30.5	Very low	122 Å²	122	135.9 Å²	135.9	57%	0.57	75%	0.754	S	S	*	*			trans	7.4	154.4	149.1	-65.6	139.6	-154	0	0	120.2
1057	E	25.3	Very low	30.5	Very low	163 Å²	163	137.9 Å²	137.9	76%	0.762	76%	0.758	S	S	*	*			cis	-169.9	158	40	-152	154.8	-142.5	0	0	115.1
1058	E	26.3	Very low	32.2	Very low	126 Å²	126	134.7 Å²	134.7	59%	0.589	75%	0.747	S	S	*	*			trans	37.8	131.7	154.6	-74	-166.2	172.6	0	0	130.1
1059	R	26.5	Very low	32.4	Very low	197 Å²	197	132.5 Å²	132.5	74%	0.743	74%	0.741	S	S	*	*				67.9	113.2	128	-67.1	179.3	-180	142.3	3.3	126.2
1060	S	24.7	Very low	32.8	Very low	104 Å²	104	132.5 Å²	132.5	73%	0.727	74%	0.741	S	S	*	*				23	165.6	116.7	69.4	0	0	0	0	123.3
1061	P	48.7	Very low	33.3	Very low	117 Å²	117	132.5 Å²	132.5	76%	0.76	74%	0.742	S	S	*	*			cis	-149.4	-167.3	17.1	45	-23.6	0	0	0	118.9
1062	A	28.6	Very low	33.9	Very low	97 Å²	97	130.5 Å²	130.5	80%	0.802	75%	0.745	S	S	*	*			trans	74.6	153.1	151.9	0	0	0	0	0	121.7
1063	A	26.2	Very low	34.1	Very low	91 Å²	91	125.3 Å²	125.3	75%	0.752	74%	0.74	S	S	*	*			cis	-157	-131.6	-19.9	0	0	0	0	0	114.5
1064	P	50.4	Low	34.2	Very low	117 Å²	117	130.5 Å²	130.5	76%	0.76	74%	0.744	S	S	*	*				-126	-154.9	-123	44.5	-24.3	0	0	0	114.9
1065	P	53.7	Low	34.7	Very low	117 Å²	117	126.1 Å²	126.1	76%	0.76	74%	0.742	S	S	*	*			cis	-129.7	-100.4	-4.2	25.5	3.5	0	0	0	120
1066	P	54.8	Low	35	Very low	95 Å²	95	121.4 Å²	121.4	62%	0.617	74%	0.744	S	S	*	*				-149.2	-180	-130	49.6	-28.8	0	0	0	122.8
1067	L	33.4	Very low	35	Very low	158 Å²	158	125.2 Å²	125.2	83%	0.827	76%	0.759	S	S	*	*			trans	74.7	163.4	142.5	-81	166.2	0	0	0	123.1
1068	P	59.2	Low	35.1	Very low	99 Å²	99	126.7 Å²	126.7	64%	0.643	76%	0.762	S	S	*	*			cis	-135.7	177.2	-6	40.3	-22.7	0	0	0	119.8
1069	T	31.5	Very low	35.9	Very low	127 Å²	127	124.8 Å²	124.8	78%	0.779	76%	0.761	S	S	*	*			trans	75.4	159.7	166.4	52.3	0	0	0	0	117.2
1070	T	30.9	Very low	35.9	Very low	129 Å²	129	121.9 Å²	121.9	79%	0.791	77%	0.765	S	S	*	*			cis	-144.8	-178.6	16.8	-29.1	0	0	0	0	113.3
1071	S	34	Very low	36	Very low	106 Å²	106	121.9 Å²	121.9	74%	0.741	77%	0.772	S	S	*	*			trans	-90.6	167.2	179.7	52.3	0	0	0	0	114.2
1072	S	34.6	Very low	35	Very low	116 Å²	116	120.9 Å²	120.9	81%	0.811	77%	0.774	S	S	*	*			cis	-171.5	174.5	-7.9	44.6	0	0	0	0	108.3
1073	G	29.6	Very low	34.8	Very low	71 Å²	71	124.5 Å²	124.5	73%	0.732	77%	0.774	S	S	*	*			cis	127.3	102	-5.6	0	0	0	0	0	115
1074	K	28.5	Very low	34.7	Very low	211 Å²	211	127.3 Å²	127.3	92%	0.917	78%	0.775	S	S	*	*			trans	-142.6	139.6	162.2	-74.1	-177.6	177.5	174.9	0	108.9
1075	A	31.6	Very low	33.6	Very low	96 Å²	96	126.6 Å²	126.6	79%	0.793	77%	0.773	S	S	*	*			cis	127.8	141.5	3.2	0	0	0	0	0	109.4
1076	A	30.8	Very low	32.6	Very low	90 Å²	90	126.6 Å²	126.6	74%	0.744	77%	0.77	S	S	*	*			cis	-174	-173.6	-9.8	0	0	0	0	0	109.9
1077	K	25.7	Very low	31.4	Very low	203 Å²	203	132.8 Å²	132.8	88%	0.883	78%	0.781	S	S	*	*			trans	89.9	147.4	167.2	-62	178.8	-176.1	176.1	0	117
1078	K	27	Very low	31.4	Very low	193 Å²	193	131.4 Å²	131.4	84%	0.839	78%	0.779	S	S	*	*			cis	-159.6	-159.3	-25.5	-140.7	-163.3	173.8	-169.9	0	108.8
1079	P	43.5	Very low	30.8	Very low	86 Å²	86	131.8 Å²	131.8	56%	0.558	78%	0.781	S	S	*	*				-135.3	176	-125.6	45.8	-26.2	0	0	0	119.8
1080	T	25.6	Very low	30.8	Very low	136 Å²	136	138 Å²	138	83%	0.834	79%	0.791	S	S	*	*			trans	65.6	153	144.5	49	0	0	0	0	124.1
1081	A	27.5	Very low	30.5	Very low	105 Å²	105	135.5 Å²	135.5	87%	0.868	79%	0.79	S	S	*	*			trans	102.7	159	149	0	0	0	0	0	117.8
1082	A	27.1	Very low	31	Very low	96 Å²	96	136.8 Å²	136.8	79%	0.793	80%	0.796	S	S	*	*			trans	-143.1	178	-166.3	0	0	0	0	0	111.9
1083	E	24.7	Very low	30.7	Very low	172 Å²	172	135.7 Å²	135.7	80%	0.804	79%	0.794	S	S	*	*			trans	122.6	106.3	158.2	-64.9	-164.7	150.3	0	0	117.9
1084	I	25.1	Very low	30.7	Very low	151 Å²	151	138.4 Å²	138.4	77%	0.774	80%	0.796	S	S	*	*				64.2	117	123.1	-62.2	164.5	0	0	0	120.8
1085	S	26.9	Very low	30.6	Very low	102 Å²	102	137.6 Å²	137.6	71%	0.713	80%	0.795	S	S	*	*			trans	105.3	111.5	143	-151.8	0	0	0	0	122.1
1086	V	32.5	Very low	30.2	Very low	117 Å²	117	136.8 Å²	136.8	71%	0.709	80%	0.797	S	S	*	*				47.3	124	127.8	-176.2	0	0	0	0	118.9
1087	R	30.5	Very low	29.9	Very low	225 Å²	225	135.4 Å²	135.4	85%	0.849	79%	0.791	S	S	*	*				-173	128.9	67.2	-143.9	160.5	-160.1	178.5	5.4	114.8
1088	V	33	Very low	30	Very low	129 Å²	129	134.8 Å²	134.8	78%	0.782	79%	0.791	S	S	*	*			trans	22.9	140.4	131	-172.8	0	0	0	0	120.1
1089	P	46.3	Very low	30.2	Very low	107 Å²	107	132.3 Å²	132.3	70%	0.695	79%	0.792	S	S	*	*			cis	-141	-178.1	-16.1	41.5	-23.1	0	0	0	117.6
1090	R	32.1	Very low	29.5	Very low	258 Å²	258	135.8 Å²	135.8	97%	0.974	81%	0.806	S	S	*	*			trans	67.7	120.7	156.6	-81.5	-175.9	172.1	178.3	-2.3	120.3
1091	G	23	Very low	29.6	Very low	76 Å²	76	137.9 Å²	137.9	78%	0.784	81%	0.808	S	S	*	*			trans	168.5	144.4	163.6	0	0	0	0	0	112
1092	P	45.5	Very low	29.6	Very low	132 Å²	132	136.2 Å²	136.2	86%	0.857	80%	0.795	S	S	*	*			trans	-115.8	153.8	-173.6	39.8	-31.5	0	0	0	116.1
1093	A	28.4	Very low	29.5	Very low	93 Å²	93	140.8 Å²	140.8	77%	0.769	80%	0.797	S	S	*	*			trans	177.6	129	139.9	0	0	0	0	0	114.8
1094	V	30.1	Very low	29.7	Very low	128 Å²	128	137 Å²	137	78%	0.776	79%	0.789	S	S	*	*			trans	55.7	135.9	134.2	-173.2	0	0	0	0	123.3
1095	E	25	Very low	29.6	Very low	194 Å²	194	138.8 Å²	138.8	91%	0.907	79%	0.794	S	S	*	*			trans	67.4	139.7	160.4	-83.1	171.8	-176	0	0	122.8
1096	G	24.1	Very low	29.4	Very low	80 Å²	80	140 Å²	140	83%	0.825	80%	0.803	S	S	*	*			trans	149.2	-1.1	139.9	0	0	0	0	0	126
1097	G	23.8	Very low	28.9	Very low	61 Å²	61	142.3 Å²	142.3	63%	0.629	81%	0.811	S	S	*	*			trans	84.9	132.9	158.6	0	0	0	0	0	123.1
1098	H	27.8	Very low	30.2	Very low	190 Å²	190	136.6 Å²	136.6	88%	0.88	80%	0.803	S	S	*	*			trans	63.2	170.1	157.2	-39.8	-85.2	0	0	0	118.5
1099	V	31.3	Very low	30.4	Very low	140 Å²	140	136 Å²	136	85%	0.848	80%	0.802	S	S	*	*			cis	-135.9	169.2	-0.5	-162	0	0	0	0	109.6
1100	N	30	Very low	29.5	Very low	159 Å²	159	135.7 Å²	135.7	85%	0.85	80%	0.802	S	S	*	*			trans	-96.3	160.1	-175.6	-70.8	-22.4	0	0	0	117
1101	M	26.6	Very low	29.2	Very low	180 Å²	180	130.8 Å²	130.8	89%	0.887	79%	0.79	S	S	*	*			trans	-163.3	167	161.7	-84.8	-152.2	-61.4	0	0	109.7
1102	A	27.6	Very low	29.3	Very low	71 Å²	71	132.8 Å²	132.8	59%	0.587	78%	0.783	S	S	*	*			cis	-176.4	-170.2	-27.1	0	0	0	0	0	108.9
1103	F	26	Very low	28.4	Very low	192 Å²	192	133.3 Å²	133.3	84%	0.842	77%	0.773	S	S	*	*			trans	71.7	154.2	169	-66.7	-96.6	0	0	0	118.7
1104	S	27.3	Very low	28.2	Very low	91 Å²	91	136.7 Å²	136.7	64%	0.636	77%	0.771	S	S	*	*			cis	-174.6	144.8	-26.9	55.3	0	0	0	0	115.4
1105	Q	23.9	Very low	27.9	Very low	189 Å²	189	136.7 Å²	136.7	88%	0.883	77%	0.771	S	S	*	*			trans	44.1	133.7	145.2	-63.9	-173.7	-3.2	0	0	124.9
1106	S	23.1	Very low	27.9	Very low	127 Å²	127	136.7 Å²	136.7	89%	0.888	77%	0.77	S	S	*	*				-180	-179.2	123.6	40.2	0	0	0	0	112.5
1107	N	22.5	Very low	27.9	Very low	166 Å²	166	136.6 Å²	136.6	89%	0.888	77%	0.77	S	S	*	*			trans	-130.8	173.8	-152.2	-112.9	-2.2	0	0	0	116.8
1108	P	56.9	Low	27.9	Very low	106 Å²	106	139.3 Å²	139.3	69%	0.688	78%	0.779	S	S	*	*			trans	-106.9	-169.5	-158.6	43.6	-40.7	0	0	0	116.6
1109	P	37	Very low	27.9	Very low	116 Å²	116	141.3 Å²	141.3	75%	0.753	78%	0.779	S	S	*	*				-145.7	161.9	119	39.4	-25.5	0	0	0	117.3
1110	S	27	Very low	27.7	Very low	100 Å²	100	142 Å²	142	70%	0.699	78%	0.777	S	S	*	*			trans	68.4	161.9	158.2	-75.4	0	0	0	0	118.4
1111	E	26.4	Very low	27.5	Very low	155 Å²	155	144 Å²	144	72%	0.724	78%	0.779	S	S	*	*			cis	-172	177.9	-17.1	-111	176	-84	0	0	109.7
1112	L	25.3	Very low	27.6	Very low	119 Å²	119	141.4 Å²	141.4	62%	0.623	78%	0.775	S	S	*	*			cis	-163.9	146.9	-10.2	173.4	65.1	0	0	0	109.8
1113	H	27.2	Very low	27.7	Very low	142 Å²	142	144.5 Å²	144.5	66%	0.657	79%	0.787	S	S	*	*			trans	63.8	147.8	167.6	-73.8	5.1	0	0	0	118.5
1114	K	24	Very low	27.9	Very low	164 Å²	164	139.4 Å²	139.4	71%	0.713	78%	0.775	S	S	*	*			cis	-162	142.4	-13.2	-111.8	178	-177.7	170.4	0	112.2
1115	V	23.7	Very low	28	Very low	129 Å²	129	142.5 Å²	142.5	78%	0.782	78%	0.784	S	S	*	*			trans	59.5	100.4	146.6	-171.2	0	0	0	0	122.6
1116	H	24.9	Very low	28.2	Very low	193 Å²	193	139.6 Å²	139.6	89%	0.894	77%	0.765	S	S	*	*				31.3	133.7	126	-91.2	26.8	0	0	0	125.9
1117	G	23.4	Very low	28.5	Very low	79 Å²	79	137.1 Å²	137.1	81%	0.814	74%	0.741	S	S	*	*			trans	103.2	145.6	141.4	0	0	0	0	0	117.5
1118	S	25	Very low	28.8	Very low	117 Å²	117	133.2 Å²	133.2	82%	0.818	73%	0.725	S	S	*	*			cis	-165.9	163	-7.1	-169.1	0	0	0	0	112.3
1119	R	26.1	Very low	27.6	Very low	233 Å²	233	132.7 Å²	132.7	88%	0.879	72%	0.72	S	S	*	*			trans	71.4	108.2	162.5	-82.5	-179.3	171.8	173.3	-2.3	122.6
1120	N	26.8	Very low	27.7	Very low	153 Å²	153	134.6 Å²	134.6	82%	0.818	71%	0.713	S	S	*	*			trans	-42.7	150.4	156.4	-41.4	-12.5	0	0	0	116.5
1121	K	25.8	Very low	28	Very low	203 Å²	203	132.7 Å²	132.7	88%	0.883	71%	0.71	S	S	*	*				-171.9	121.6	120.2	-106.5	-173.9	-179.8	-170	0	111.4
1122	P	28.7	Very low	28.3	Very low	124 Å²	124	127.2 Å²	127.2	81%	0.805	69%	0.689	S	S	*	*			trans	-93	154.9	163.1	35.3	-30.8	0	0	0	111.6
1123	T	29.7	Very low	28.5	Very low	136 Å²	136	127.6 Å²	127.6	83%	0.834	68%	0.682	S	S	*	*			trans	-113	130	174.5	47	0	0	0	0	110.5
1124	S	31.6	Very low	28.4	Very low	85 Å²	85	129.2 Å²	129.2	59%	0.594	69%	0.687	S	S	*	*			trans	-92	139.7	173.5	48.5	0	0	0	0	111.4
1125	L	28.9	Very low	28.5	Very low	157 Å²	157	127.6 Å²	127.6	82%	0.822	69%	0.691	S	S	*	*			trans	-105.5	150.7	176.5	-70.4	167.5	0	0	0	110.9
1126	W	27.9	Very low	28.6	Very low	128 Å²	128	130.7 Å²	130.7	49%	0.485	70%	0.697	S	S	.	*			trans	-102.8	150.5	178.8	179.2	81.4	0	0	0	110.9	P1128 W1133	W1126-P1128 HydrophobicContact CE3-CB 4.48Å; W1126-P1128 HydrophobicContact CE3-CG 4Å; W1126-P1128 HydrophobicContact CH2-CB 4.04Å; W1126-P1128 HydrophobicContact CH2-CG 4.4Å; W1126-P1128 HydrophobicContact CZ3-CB 3.78Å; W1126-P1128 HydrophobicContact CZ3-CG 3.64Å; W1126-W1133 HydrophobicContact CB-CH2 4.1Å; W1126-W1133 HydrophobicContact CB-CZ3 3.94Å; W1126-W1133 HydrophobicContact CG-CH2 4.49Å
1127	N	29.1	Very low	28.8	Very low	74 Å²	74	131 Å²	131	40%	0.396	70%	0.696	S	S	.	*			trans	-117.6	113	-179.7	-176.1	-17.2	0	0	0	110.5	T1129 Y1130 G1131	N1127-T1129 PolarHBondContact O-N 3.11Å; N1127-T1129 PolarHBondContact OD1-N 2.72Å; N1127-T1129 VanDerWaalsContact OD1-N 3.09Å; N1127-T1129 PolarHBondContact OD1-OG1 2.96Å; N1127-Y1130 PolarHBondContact O-N 3.11Å; N1127-G1131 PolarHBondContact O-N 3.21Å
1128	P	29.5	Very low	29	Very low	85 Å²	85	133.2 Å²	133.2	55%	0.552	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	-29.2	-177.1	-21.6	30.3	0	0	0	114.8	W1126 Y1130	W1126-P1128 HydrophobicContact CE3-CB 4.48Å; W1126-P1128 HydrophobicContact CE3-CG 4Å; W1126-P1128 HydrophobicContact CH2-CB 4.04Å; W1126-P1128 HydrophobicContact CH2-CG 4.4Å; W1126-P1128 HydrophobicContact CZ3-CB 3.78Å; W1126-P1128 HydrophobicContact CZ3-CG 3.64Å; P1128-Y1130 VanDerWaalsContact C-N 3.34Å; P1128-Y1130 PolarHBondContact O-N 3.42Å
1129	T	31.2	Very low	28.9	Very low	94 Å²	94	134.2 Å²	134.2	58%	0.577	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-16.1	-169.2	-42.3	0	0	0	0	113.5	N1127	N1127-T1129 PolarHBondContact O-N 3.11Å; N1127-T1129 PolarHBondContact OD1-N 2.72Å; N1127-T1129 VanDerWaalsContact OD1-N 3.09Å; N1127-T1129 PolarHBondContact OD1-OG1 2.96Å
1130	Y	40.5	Very low	28.8	Very low	156 Å²	156	132.5 Å²	132.5	61%	0.612	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.1	-9.8	-168.3	-69.9	-73	0	0	0	116.6	M951 N1127 P1128 S1132	M951-Y1130 HydrophobicContact CE-CD1 4.36Å; M951-Y1130 HydrophobicContact CE-CE1 4.29Å; N1127-Y1130 PolarHBondContact O-N 3.11Å; P1128-Y1130 VanDerWaalsContact C-N 3.34Å; P1128-Y1130 PolarHBondContact O-N 3.42Å; Y1130-S1132 VanDerWaalsContact C-N 3.3Å; Y1130-S1132 PolarHBondContact O-N 3.42Å
1131	G	32.3	Very low	28.7	Very low	60 Å²	60	133.1 Å²	133.1	62%	0.619	69%	0.692	S	S	*	*			trans	64.8	22.1	170	0	0	0	0	0	116.4	N1127	N1127-G1131 PolarHBondContact O-N 3.21Å
1132	S	32.5	Very low	28.6	Very low	41 Å²	41	129.3 Å²	129.3	29%	0.287	68%	0.681	S	S	.	*			trans	-138.1	144.5	178.9	67.5	0	0	0	0	113.2	Y1130	Y1130-S1132 VanDerWaalsContact C-N 3.3Å; Y1130-S1132 PolarHBondContact O-N 3.42Å
1133	W	29.9	Very low	28.3	Very low	126 Å²	126	130.7 Å²	130.7	48%	0.477	68%	0.682	S	S	.	*			trans	-80.7	157.7	-179.2	-58.3	94.2	0	0	0	113.3	W1126	W1126-W1133 HydrophobicContact CB-CH2 4.1Å; W1126-W1133 HydrophobicContact CB-CZ3 3.94Å; W1126-W1133 HydrophobicContact CG-CH2 4.49Å
1134	F	25.3	Very low	28.8	Very low	176 Å²	176	129 Å²	129	77%	0.772	67%	0.673	S	S	*	*			trans	-136.4	153.3	173.2	-109.2	-91.5	0	0	0	111.4
1135	T	26.7	Very low	28.5	Very low	130 Å²	130	132.8 Å²	132.8	80%	0.798	69%	0.685	S	S	*	*			trans	-135.4	138.3	167.8	54.9	0	0	0	0	110.1
1136	E	25.2	Very low	28.4	Very low	195 Å²	195	128.8 Å²	128.8	91%	0.911	68%	0.675	S	S	*	*			trans	-96.6	148.7	179.7	-71.7	-167.4	124.4	0	0	112.8
1137	K	28.7	Very low	28.3	Very low	198 Å²	198	132.2 Å²	132.2	86%	0.861	69%	0.693	S	S	*	*			trans	-124.7	142.9	159.1	-82.4	179.9	176.9	173.8	0	109.2
1138	P	26.7	Very low	28.1	Very low	127 Å²	127	138 Å²	138	83%	0.825	72%	0.715	S	S	*	*			trans	-88.7	152.5	-165.5	34.6	-37.1	0	0	0	114.6
1139	T	23.7	Very low	27.7	Very low	138 Å²	138	142.3 Å²	142.3	85%	0.847	73%	0.727	S	S	*	*			trans	-138.4	138.8	170.7	53.6	0	0	0	0	113.8
1140	K	23.7	Very low	28.3	Very low	197 Å²	197	142.2 Å²	142.2	86%	0.857	73%	0.728	S	S	*	*			trans	-159.1	146.9	168.8	-74.2	-175.7	-177.7	164.2	0	106.4
1141	K	25.2	Very low	27.7	Very low	166 Å²	166	142.6 Å²	142.6	72%	0.722	74%	0.736	S	S	*	*			cis	-163.5	150.4	-3.6	-119.6	-169.9	174.7	-174.9	0	110.2
1142	N	24.3	Very low	27.4	Very low	123 Å²	123	145.7 Å²	145.7	66%	0.658	74%	0.738	S	S	*	*			trans	61.8	116.1	146.6	-65.1	16.5	0	0	0	122.9
1143	N	20.8	Very low	27.2	Very low	152 Å²	152	155 Å²	155	81%	0.813	77%	0.767	S	S	*	*				47.8	161.9	102.1	-73.4	16.4	0	0	0	122.3
1144	P	40.5	Very low	26.9	Very low	100 Å²	100	152.5 Å²	152.5	65%	0.649	78%	0.78	S	S	*	*			cis	-142.2	-176.1	-1.9	34.9	-12.4	0	0	0	118.4
1145	I	26.4	Very low	26.9	Very low	165 Å²	165	151.4 Å²	151.4	85%	0.846	78%	0.782	S	S	*	*			trans	77.3	152.4	141.8	-89.1	158.3	0	0	0	120.8
1146	A	26.2	Very low	26.9	Very low	74 Å²	74	152.9 Å²	152.9	61%	0.612	78%	0.784	S	S	*	*			cis	-176.1	155.8	-37.8	0	0	0	0	0	114.1
1147	K	26.6	Very low	26.9	Very low	199 Å²	199	147 Å²	147	87%	0.865	78%	0.776	S	S	*	*			trans	56.6	126.5	154.6	-66.3	-179.7	-179.2	-170.1	0	122.7
1148	K	23.7	Very low	26.8	Very low	197 Å²	197	145.1 Å²	145.1	86%	0.857	77%	0.774	S	S	*	*				173.8	129.6	104.3	-96.6	-170.6	175.7	-172.8	0	117.4
1149	E	22.8	Very low	26.7	Very low	174 Å²	174	148 Å²	148	81%	0.813	78%	0.777	S	S	*	*			trans	-14.5	178.8	133.8	-91.5	171.9	179.6	0	0	122.2
1150	P	42.6	Very low	26.8	Very low	92 Å²	92	145 Å²	145	60%	0.597	77%	0.773	S	S	*	*			cis	-143.8	-168	-3.4	23.2	4.8	0	0	0	117.7
1151	H	27.1	Very low	26.8	Very low	165 Å²	165	141 Å²	141	76%	0.764	77%	0.77	S	S	*	*			trans	83	148.4	151.2	-71.9	-54.6	0	0	0	121.8
1152	D	28	Very low	26.6	Very low	125 Å²	125	138.4 Å²	138.4	67%	0.668	77%	0.772	S	S	*	*			cis	-172.6	167.9	-22.9	-146.6	-38.1	0	0	0	113.2
1153	R	27	Very low	26.6	Very low	237 Å²	237	139.5 Å²	139.5	89%	0.894	78%	0.783	S	S	*	*			trans	67.9	149.8	164.7	-59.6	178.3	176.8	-167.8	-2.2	120
1154	G	23.7	Very low	26.7	Very low	73 Å²	73	138.6 Å²	138.6	75%	0.753	78%	0.783	S	S	*	*			cis	160.8	132.9	-15.1	0	0	0	0	0	117.8
1155	N	25.8	Very low	26.9	Very low	153 Å²	153	139 Å²	139	82%	0.818	79%	0.786	S	S	*	*			trans	72.6	127	149.1	-80.9	6	0	0	0	127.3
1156	L	27	Very low	28.2	Very low	161 Å²	161	136.7 Å²	136.7	84%	0.843	78%	0.781	S	S	*	*				84	120.1	127.6	-72.7	168.2	0	0	0	126.4
1157	G	24.6	Very low	28.2	Very low	71 Å²	71	140 Å²	140	73%	0.732	79%	0.788	S	S	*	*			trans	79.7	163.2	138.1	0	0	0	0	0	121
1158	L	27	Very low	28.3	Very low	158 Å²	158	136.5 Å²	136.5	83%	0.827	78%	0.784	S	S	*	*			cis	-168.8	158.2	-27.8	-151.2	78.5	0	0	0	110.9
1159	E	25.4	Very low	28.5	Very low	187 Å²	187	131 Å²	131	87%	0.874	78%	0.775	S	S	*	*			trans	62.7	164.1	164.4	-69.6	-178.5	169.8	0	0	121.9
1160	G	24.7	Very low	28.7	Very low	75 Å²	75	129.3 Å²	129.3	77%	0.773	78%	0.777	S	S	*	*			trans	177.9	-37.6	171.8	0	0	0	0	0	126.6
1161	S	23.5	Very low	27.8	Very low	113 Å²	113	128.5 Å²	128.5	79%	0.79	79%	0.785	S	S	*	*			trans	46.2	126.9	172.2	-153.2	0	0	0	0	125.2
1162	C	22.1	Very low	27.7	Very low	112 Å²	112	132.6 Å²	132.6	76%	0.757	79%	0.793	S	S	*	*			trans	42.8	133.5	142.4	-58.1	0	0	0	0	126.3
1163	T	23	Very low	27.5	Very low	146 Å²	146	134.3 Å²	134.3	90%	0.896	80%	0.802	S	S	*	*				-178.5	172	119.5	24.2	0	0	0	0	113.9
1164	V	23	Very low	28.8	Very low	133 Å²	133	129 Å²	129	81%	0.806	80%	0.798	S	S	*	*			trans	-145.7	-160.7	-160.1	-160.5	0	0	0	0	112.3
1165	P	45.4	Very low	28.7	Very low	110 Å²	110	129.2 Å²	129.2	71%	0.714	80%	0.8	S	S	*	*				-94.2	-146.6	-104.9	45.6	-29	0	0	0	114.3
1166	P	52.5	Low	28.7	Very low	116 Å²	116	126.5 Å²	126.5	75%	0.753	80%	0.799	S	S	*	*			cis	-124.2	-156.7	-12.1	37.2	-14.1	0	0	0	112.7
1167	N	27.9	Very low	28.6	Very low	142 Å²	142	124 Å²	124	76%	0.759	80%	0.796	S	S	*	*			cis	-153.5	-159.3	11.5	-157.5	10.9	0	0	0	108.5
1168	V	27.8	Very low	28.6	Very low	127 Å²	127	128.4 Å²	128.4	77%	0.77	80%	0.801	S	S	*	*			cis	-150.8	179.6	15.4	-163.6	0	0	0	0	109.7
1169	A	27.6	Very low	28.5	Very low	81 Å²	81	128.4 Å²	128.4	67%	0.669	80%	0.801	S	S	*	*			trans	-93.7	-166.8	178	0	0	0	0	0	114.3
1170	T	26.8	Very low	28.5	Very low	139 Å²	139	127.8 Å²	127.8	85%	0.853	80%	0.803	S	S	*	*			cis	-170.9	152.3	26.6	-18.7	0	0	0	0	114.7
1171	G	25.2	Very low	28.4	Very low	74 Å²	74	132.7 Å²	132.7	76%	0.763	81%	0.806	S	S	*	*			trans	82.7	169.4	149.6	0	0	0	0	0	119.7
1172	R	25	Very low	29.6	Very low	251 Å²	251	132.2 Å²	132.2	95%	0.947	80%	0.8	S	S	*	*			cis	-166.6	151.4	-25.2	-138.7	-178.8	-171.4	-172.7	2.9	110.5
1173	L	23.5	Very low	29.9	Very low	161 Å²	161	132.2 Å²	132.2	84%	0.843	80%	0.801	S	S	*	*			trans	-49.2	178.4	176	-68.2	159.1	0	0	0	117.8
1174	P	52.6	Low	30	Very low	125 Å²	125	130.3 Å²	130.3	81%	0.812	79%	0.794	S	S	*	*			cis	-139.9	-170.9	-41.7	40.4	-22.5	0	0	0	114
1175	G	23.5	Very low	30.2	Very low	78 Å²	78	132 Å²	132	80%	0.804	80%	0.798	S	S	*	*			trans	-168.2	128.6	168.3	0	0	0	0	0	117.9
1176	A	25	Very low	29.4	Very low	97 Å²	97	132.9 Å²	132.9	80%	0.802	80%	0.801	S	S	*	*			trans	-70.1	176.1	170.3	0	0	0	0	0	113.1
1177	S	24.5	Very low	28.2	Very low	109 Å²	109	131.5 Å²	131.5	76%	0.762	80%	0.799	S	S	*	*			cis	-179.3	163.8	-19.7	-86	0	0	0	0	107
1178	L	25.6	Very low	28.1	Very low	163 Å²	163	132.9 Å²	132.9	85%	0.853	81%	0.807	S	S	*	*			trans	155.1	117.2	155.1	-86.4	155.2	0	0	0	107.7
1179	L	25.1	Very low	28	Very low	157 Å²	157	134.7 Å²	134.7	82%	0.822	81%	0.809	S	S	*	*				62.5	110.3	61.9	-80.9	173.6	0	0	0	116.2
1180	L	23.9	Very low	27.8	Very low	175 Å²	175	139.2 Å²	139.2	92%	0.916	81%	0.813	S	S	*	*			trans	-164	154.3	130.6	-106.5	165.9	0	0	0	110.5
1181	E	22.3	Very low	27.8	Very low	178 Å²	178	139.7 Å²	139.7	83%	0.832	81%	0.806	S	S	*	*			trans	-138.4	-171.1	-173.4	-125.6	-146.4	161.8	0	0	110.4
1182	P	49.8	Very low	27.9	Very low	103 Å²	103	142.6 Å²	142.6	67%	0.669	81%	0.808	S	S	*	*			trans	-121.6	176	-138.8	41.4	-24.5	0	0	0	116.4
1183	S	26.9	Very low	28.2	Very low	111 Å²	111	135.4 Å²	135.4	78%	0.776	79%	0.794	S	S	*	*			trans	-173.3	132.5	154.6	-77.2	0	0	0	0	107.9
1184	S	26.9	Very low	28.5	Very low	107 Å²	107	135.8 Å²	135.8	75%	0.748	80%	0.796	S	S	*	*			cis	84.7	118.5	40.3	83.6	0	0	0	0	114.6
1185	L	26	Very low	27.2	Very low	168 Å²	168	139.3 Å²	139.3	88%	0.88	80%	0.799	S	S	*	*			trans	-164.8	159.7	162	-114.8	172.6	0	0	0	111.7
1186	T	28.7	Very low	27.3	Very low	129 Å²	129	146.4 Å²	146.4	79%	0.791	80%	0.802	S	S	*	*			trans	-153.7	168.7	-155.7	45	0	0	0	0	111.4
1187	A	28.5	Very low	27.3	Very low	86 Å²	86	148.3 Å²	148.3	71%	0.711	80%	0.798	S	S	*	*			cis	-172.3	175.8	-26.7	0	0	0	0	0	107.4
1188	N	24.9	Very low	27.4	Very low	171 Å²	171	152.9 Å²	152.9	91%	0.914	80%	0.798	S	S	*	*			trans	-156	157.9	166.5	-110	-39.2	0	0	0	115.7
1189	M	26.3	Very low	27.6	Very low	165 Å²	165	153.6 Å²	153.6	81%	0.813	80%	0.797	S	S	*	*			trans	-92.3	179.9	-170.7	-64.1	178.8	153.8	0	0	112.9
1190	K	23.2	Very low	27.5	Very low	176 Å²	176	155.3 Å²	155.3	77%	0.765	80%	0.798	S	S	*	*			cis	-160.5	-165.1	28.8	-150	162.8	-177.1	-178	0	114.3
1191	E	25.7	Very low	28	Very low	150 Å²	150	152.1 Å²	152.1	70%	0.701	79%	0.788	S	S	*	*			trans	-109.5	156.7	-147.4	-54.6	153.4	98.7	0	0	117.1
1192	V	27.8	Very low	28.2	Very low	134 Å²	134	150.3 Å²	150.3	81%	0.812	79%	0.793	S	S	*	*			trans	66.5	135.6	136.1	161.2	0	0	0	0	118.3
1193	P	31.7	Very low	27	Very low	101 Å²	101	148.5 Å²	148.5	66%	0.656	79%	0.793	S	S	*	*				-145.7	171.7	52.4	42.1	-22.6	0	0	0	120.2
1194	L	30.6	Very low	27.1	Very low	169 Å²	169	150.7 Å²	150.7	89%	0.885	80%	0.796	S	S	*	*			trans	-63.7	152.5	165.8	-71.7	151.7	0	0	0	113.1
1195	F	24.8	Very low	27.2	Very low	198 Å²	198	152 Å²	152	87%	0.868	80%	0.799	S	S	*	*			trans	-122.6	152.7	162.1	-94.2	-87.9	0	0	0	112.6
1196	R	25.6	Very low	27.1	Very low	227 Å²	227	150.6 Å²	150.6	86%	0.857	79%	0.793	S	S	*	*			trans	-134.9	172.7	-177.8	-163.4	-179.5	-172.4	-176	4	107.3
1197	L	24.9	Very low	26.9	Very low	138 Å²	138	155 Å²	155	72%	0.723	80%	0.796	S	S	*	*			trans	85.4	149	-178.5	-49.6	167.1	0	0	0	112.8
1198	R	25	Very low	26.8	Very low	205 Å²	205	154.5 Å²	154.5	77%	0.774	80%	0.8	S	S	*	*			cis	-155.4	154.9	6.5	-130.9	159	-154.8	169.4	4.8	110.8
1199	H	31.3	Very low	26.9	Very low	177 Å²	177	156.7 Å²	156.7	82%	0.819	80%	0.797	S	S	*	*			trans	-71.7	154.9	160.5	-78.5	19.2	0	0	0	111.2
1200	F	23.3	Very low	26.9	Very low	193 Å²	193	157.9 Å²	157.9	85%	0.846	80%	0.801	S	S	*	*			trans	-167.6	169.8	143.6	-99.5	-44.7	0	0	0	111.2
1201	P	33.9	Very low	27.2	Very low	108 Å²	108	157.9 Å²	157.9	70%	0.701	80%	0.804	S	S	*	*				-129.6	155.1	-129.9	41.2	-25	0	0	0	117.4
1202	C	25.7	Very low	27.4	Very low	141 Å²	141	160.2 Å²	160.2	95%	0.953	81%	0.814	S	S	*	*			trans	-165.4	135.8	154.7	-95.3	0	0	0	0	107.1
1203	G	26.1	Very low	27.4	Very low	64 Å²	64	157.3 Å²	157.3	66%	0.66	81%	0.812	S	S	*	*			cis	179	129.5	-11.1	0	0	0	0	0	109	V1205	G1203-V1205 PolarHBondContact O-N 2.91Å
1204	N	28.9	Very low	27.3	Very low	158 Å²	158	160.9 Å²	160.9	85%	0.845	82%	0.824	S	S	*	*			trans	-70.8	126.7	-172.9	-73.7	9.6	0	0	0	112.4
1205	V	27.3	Very low	27.9	Very low	134 Å²	134	158.3 Å²	158.3	81%	0.812	82%	0.817	S	S	*	*			trans	-97.9	98.8	167.4	-177.9	0	0	0	0	108.8	G1203	G1203-V1205 PolarHBondContact O-N 2.91Å
1206	N	24.6	Very low	27.9	Very low	139 Å²	139	156.7 Å²	156.7	74%	0.743	82%	0.817	S	S	*	*			trans	-74.3	132.9	171.4	-74.9	-13.3	0	0	0	110.2	G1208	N1206-G1208 PolarHBondContact O-N 3.25Å
1207	Y	25.6	Very low	28	Very low	220 Å²	220	154.2 Å²	154.2	86%	0.863	82%	0.815	S	S	*	*			trans	-70.8	98.8	170	-81.2	-91.9	0	0	0	110.7	Y1209	Y1207-Y1209 PolarHBondContact O-N 3.01Å
1208	G	24.8	Very low	28.1	Very low	77 Å²	77	151.8 Å²	151.8	79%	0.794	82%	0.815	S	S	*	*			trans	-79.7	88.5	175.3	0	0	0	0	0	112.7	N1206 Q1210	N1206-G1208 PolarHBondContact O-N 3.25Å; G1208-Q1210 PolarHBondContact O-N 2.84Å
1209	Y	28	Very low	28.2	Very low	216 Å²	216	146.3 Å²	146.3	85%	0.847	81%	0.814	S	S	*	*			trans	-68.8	120.8	165.7	-106.9	-90.4	0	0	0	110.2	Y1207	Y1207-Y1209 PolarHBondContact O-N 3.01Å
1210	Q	26.8	Very low	28	Very low	191 Å²	191	144 Å²	144	89%	0.893	81%	0.812	S	S	*	*			trans	-106.3	86	177.9	-167.8	171.8	10.1	0	0	111.1	G1208	G1208-Q1210 PolarHBondContact O-N 2.84Å
1211	Q	29.3	Very low	28.5	Very low	176 Å²	176	138.9 Å²	138.9	82%	0.822	81%	0.806	S	S	*	*			trans	-96	146.8	163.7	-87.6	-173.8	-19.1	0	0	111
1212	Q	29.6	Very low	29.3	Very low	199 Å²	199	139.9 Å²	139.9	93%	0.93	81%	0.812	S	S	*	*			trans	-87.1	133.7	179.1	-66.6	174.1	-27.8	0	0	110.8
1213	G	28.3	Very low	29.3	Very low	73 Å²	73	137 Å²	137	75%	0.753	81%	0.806	S	S	*	*			trans	-156.2	145.8	174.2	0	0	0	0	0	110.6
1214	L	28.6	Very low	29.7	Very low	176 Å²	176	139.3 Å²	139.3	92%	0.921	82%	0.819	S	S	*	*			trans	-81.8	156.8	-173.1	-82.9	93	0	0	0	113.4
1215	P	42.6	Very low	29.6	Very low	114 Å²	114	135 Å²	135	74%	0.74	81%	0.812	S	S	*	*			trans	-88.6	158.7	-175.6	36.3	-36.7	0	0	0	113.5
1216	L	26.8	Very low	29.6	Very low	165 Å²	165	137 Å²	137	86%	0.864	81%	0.812	S	S	*	*			trans	-153.9	160.9	156.6	-123.2	130.2	0	0	0	113.1
1217	E	26	Very low	29.8	Very low	175 Å²	175	138.8 Å²	138.8	82%	0.818	81%	0.809	S	S	*	*			trans	-70.7	172.6	-175.9	-66.6	162.3	119.4	0	0	114
1218	A	27.4	Very low	29.9	Very low	87 Å²	87	135.9 Å²	135.9	72%	0.719	80%	0.804	S	S	*	*			cis	-178.1	178.5	-27.7	0	0	0	0	0	108.5
1219	A	28	Very low	30	Very low	90 Å²	90	138.4 Å²	138.4	74%	0.744	80%	0.799	S	S	*	*			trans	68	153.2	161.5	0	0	0	0	0	117.4
1220	T	27.6	Very low	30	Very low	128 Å²	128	133.6 Å²	133.6	79%	0.785	79%	0.793	S	S	*	*			cis	-160.3	127.9	-7.8	13	0	0	0	0	107.6
1221	A	33.7	Very low	30.1	Very low	86 Å²	86	131.4 Å²	131.4	71%	0.711	79%	0.785	S	S	*	*				83.3	173.8	92.7	0	0	0	0	0	114.9
1222	P	50.3	Low	30	Very low	128 Å²	128	129.7 Å²	129.7	83%	0.831	78%	0.781	S	S	*	*				-132.8	175.6	-50.8	34.5	-19	0	0	0	114.5
1223	G	25.8	Very low	29.9	Very low	80 Å²	80	129.5 Å²	129.5	83%	0.825	78%	0.777	S	S	*	*			trans	-148.5	140.9	157.8	0	0	0	0	0	110
1224	A	32.9	Very low	29.9	Very low	114 Å²	114	130.2 Å²	130.2	94%	0.942	77%	0.771	S	S	*	*			trans	-146.3	157.7	-166.4	0	0	0	0	0	114.2
1225	G	27	Very low	29.9	Very low	67 Å²	67	130.3 Å²	130.3	69%	0.691	76%	0.764	S	S	*	*			trans	174.2	101.6	172.1	0	0	0	0	0	115.6
1226	H	28	Very low	29.1	Very low	177 Å²	177	131.8 Å²	131.8	82%	0.819	77%	0.766	S	S	*	*			trans	18.6	149.9	137.6	-67.5	-71.7	0	0	0	122.4
1227	Y	29.3	Very low	29.3	Very low	175 Å²	175	128.2 Å²	128.2	69%	0.686	75%	0.754	S	S	*	*			cis	-174.2	146.5	-19	-149.7	-116.5	0	0	0	109.2
1228	E	28.1	Very low	29.5	Very low	160 Å²	160	127.5 Å²	127.5	75%	0.748	75%	0.753	S	S	*	*			trans	60.6	164.3	157.1	-86.5	173.7	172.7	0	0	124.6
1229	D	26.7	Very low	29.6	Very low	129 Å²	129	129.2 Å²	129.2	69%	0.69	75%	0.75	S	S	*	*			trans	83.7	87	160.8	-99.9	-19.5	0	0	0	125.7
1230	T	26.8	Very low	29.8	Very low	116 Å²	116	133.2 Å²	133.2	71%	0.712	75%	0.753	S	S	*	*				25.8	160.5	109.2	-12.5	0	0	0	0	123.4
1231	I	28.5	Very low	31	Very low	144 Å²	144	132.7 Å²	132.7	74%	0.738	75%	0.752	S	S	*	*			trans	90	143.2	157.2	-67.9	162.4	0	0	0	117.8
1232	L	29.1	Very low	31	Very low	141 Å²	141	131.6 Å²	131.6	74%	0.738	75%	0.749	S	S	*	*			cis	-176.1	148.7	-34.7	-145.7	162.1	0	0	0	108.9
1233	K	27.2	Very low	31.1	Very low	194 Å²	194	135.6 Å²	135.6	84%	0.843	78%	0.775	S	S	*	*			trans	123.7	143.9	157.9	-72.4	166.4	-179.4	171.5	0	113.7
1234	S	27.1	Very low	31.3	Very low	89 Å²	89	138.4 Å²	138.4	62%	0.622	77%	0.773	S	S	*	*			cis	-167.2	129.4	-11.1	161.9	0	0	0	0	112.6
1235	K	29.2	Very low	31.2	Very low	178 Å²	178	139.7 Å²	139.7	77%	0.774	76%	0.764	S	S	*	*			trans	53	131	147.5	-67	-178.2	175.6	-177.6	0	121.5
1236	N	26.7	Very low	31.5	Very low	145 Å²	145	143.7 Å²	143.7	78%	0.775	77%	0.768	S	S	*	*			trans	63.2	151.7	131.8	-63.3	27.4	0	0	0	120.2
1237	S	29	Very low	31.7	Very low	89 Å²	89	141.8 Å²	141.8	62%	0.622	77%	0.765	S	S	*	*			cis	-175.6	162.1	-22.8	53.3	0	0	0	0	109.7
1238	M	30.1	Very low	31.8	Very low	160 Å²	160	139.7 Å²	139.7	79%	0.788	77%	0.77	S	S	*	*			trans	74.2	122.1	153	-79.4	-180	158.9	0	0	120.6
1239	N	29.5	Very low	32.1	Very low	123 Å²	123	138.3 Å²	138.3	66%	0.658	77%	0.771	S	S	*	*				90.1	101	121.5	-69.1	10.7	0	0	0	123.1
1240	Q	33	Very low	32.5	Very low	175 Å²	175	139 Å²	139	82%	0.818	78%	0.777	S	S	*	*				83.4	163.4	110.9	-105	-169.9	6.7	0	0	119.5
1241	P	53.2	Low	32.9	Very low	117 Å²	117	140.8 Å²	140.8	76%	0.76	78%	0.782	S	S	*	*				-139.5	-179.4	-101.3	46.3	-29.6	0	0	0	117
1242	G	32.8	Very low	33.3	Very low	63 Å²	63	140.5 Å²	140.5	65%	0.649	79%	0.785	S	S	*	*			trans	94.6	167	148.1	0	0	0	0	0	116.7
1243	P	52.1	Low	33.6	Very low	212 Å²	212	140.5 Å²	140.5	100%	1.377	79%	0.79	S	S	*	*			cis	-74.7	0	0.9	-11.9	29.3	0	0	0	114.3

Retrieved 1,243 of 1,243 residues in 2569.8 ms (Link to these results)

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