A0A3Q0KQ00_SCHMA Loading...

Putative atp-dependent RNA helicase

AlphaFold DB , UniProt , Accession A0A3Q0KQ00, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,043 aa.

						>A0A3Q0KQ00_SCHMA|A0A3Q0KQ00
MFLPILGRRVVFLVCISMSRANKGHRPPGLRGKEIGLWHAAQSKNRCTGHLDYQTKFASMPLVGLNLPKIQSVIQEFVEPVPELPKTSNELISFMCKLPTLSTSKQTPEDEAEELFGEIRDCFDVSVGPCSDPDQMLLTKESLARNPDIDHELCLSMRNCMSSAAYMKMSESRCKLPAYQFKEDIVSTIRDNQVVIISGETGCGKTTQVPQFILEDQVLGGNGSVTRIIVTQPRRISAVSIAERVATERGQSVGSSVGYQVRLERRYPQRPHGSIMFCTTGIILQWFRSDPLLKNISHIIVDEVHEREFLCDFLLCMLKRIAPLRPDLRIVLMSATINADKFVEYFDNCPKFEIPGRTFPVKTYYLEDVLRETKFWLPNSAITALCRDQSRTLKQRLLKSNLSKKEARILSYGKSPEFNKWLHSLTGLSSNAIEILRSVGEDTYPKTDLIAHSVEHILQSTQSGAILVFVPGLVDIKDVIRCLRELNPRRYDNRYGSVRIYPLHSRIPTSRDRSLFEPSPKNQRKVVIATNIAETSITIQDVVYVIDCGRIKVTDYDPRQNTSTLTAILVSKANAAQRSGRAGRVQPGICYHLFPSYVYNNVMSDFLQPEMLRVRLEDVILRIKLLGLGRVKSFLTNCLDSPSEDAISKTLIFLRQIQALKLIESETSNFNTSHSIKSRGQSHKLNRKSLREFSEAIKKDVNASGINILGSSCIHLDSTDEDDDELTPLGVHLANFPLDPQCAKLLIFGALFGCLEPILAVASCLTFRDPFEVPLEKQQEADRCRKELSQNSFSDHWVFATVIQSYNGLNSQIERHQFCQRYFLNERTIKDIIRLMNDYAQLLYERRYIATPKPDDSNANCNQWNINLFRAIMCAALYPNVVKVDPRFTKEGKPKTSVIMACPSEGRANIHPSSVNSKIQPTEPIWMVYFTKTKLESGSYPSIFDSTVISLRPLLFFSGNIEISKNDTSLFTIDQWIKFSGELKVVNLLKDLRKCMDGLLEQKFKSPSVANWDSTNKEGRLLQTIVDLLTSEPPPAVQVEKLS
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.1	Very low	32	Very low	243 Å²	243	160 Å²	160	100%	1.197	82%	0.816	S	S	*	*				0	37.7	0	-141.1	-179.6	-81.6	0	0	111.9
2	F	28.8	Very low	32.2	Very low	204 Å²	204	162.2 Å²	162.2	90%	0.895	82%	0.816	S	S	*	*			trans	-127.5	143	170.2	-91.9	-88.3	0	0	0	108.8
3	L	28.5	Very low	32.1	Very low	139 Å²	139	160.8 Å²	160.8	73%	0.728	81%	0.811	S	S	*	*			trans	-56.8	141.7	-159.7	-79	85.1	0	0	0	116.7	I5	L3-I5 HydrophobicContact CD2-CB 4.44Å; L3-I5 HydrophobicContact CD2-CD1 4.03Å; L3-I5 HydrophobicContact CD2-CG1 4.25Å
4	P	31.7	Very low	31.8	Very low	126 Å²	126	157.3 Å²	157.3	82%	0.818	80%	0.801	S	S	*	*			trans	-113.6	89.9	149.9	34.7	-20.3	0	0	0	110.5
5	I	35.5	Very low	31.6	Very low	137 Å²	137	154.5 Å²	154.5	70%	0.703	80%	0.8	S	S	*	*			trans	-125.2	10	172.8	-59.7	-176.6	0	0	0	113	L3	L3-I5 HydrophobicContact CD2-CB 4.44Å; L3-I5 HydrophobicContact CD2-CD1 4.03Å; L3-I5 HydrophobicContact CD2-CG1 4.25Å
6	L	31.3	Very low	31.5	Very low	162 Å²	162	154.6 Å²	154.6	85%	0.848	80%	0.8	S	S	*	*	G	3₁₀ helix	trans	-90.4	2.7	179.4	-94.4	137.4	0	0	0	116
7	G	33.2	Very low	31.1	Very low	71 Å²	71	151.6 Å²	151.6	73%	0.732	80%	0.796	S	S	*	*	G	3₁₀ helix	trans	-80.7	-10	-178.6	0	0	0	0	0	117.4
8	R	34.7	Very low	30.9	Very low	239 Å²	239	153.8 Å²	153.8	90%	0.902	80%	0.804	S	S	*	*	G	3₁₀ helix	trans	-104.1	-4.7	-171.8	-79.3	-172.6	178.8	175.4	1.8	116.7
9	R	33.4	Very low	30.7	Very low	223 Å²	223	151.4 Å²	151.4	84%	0.842	80%	0.801	S	S	*	*	S	Bend	trans	-94.4	-13.6	-179.9	-80.5	-173.2	173.3	178.4	-1.4	115.3
10	V	33	Very low	30.5	Very low	101 Å²	101	155.9 Å²	155.9	61%	0.612	81%	0.807	S	S	*	*	G	3₁₀ helix	trans	-80.6	-19.2	-175.5	-176.8	0	0	0	0	113.3	F12 L13	V10-F12 VanDerWaalsContact C-N 3.26Å; V10-F12 PolarHBondContact O-N 2.89Å; V10-L13 PolarHBondContact O-N 2.84Å
11	V	35.4	Very low	30.5	Very low	115 Å²	115	153 Å²	153	70%	0.697	81%	0.805	S	S	*	*	G	3₁₀ helix	trans	-70.8	-20.7	-179.1	-177.9	0	0	0	0	113
12	F	34.3	Very low	30.5	Very low	186 Å²	186	149.2 Å²	149.2	82%	0.816	79%	0.79	S	S	*	*	G	3₁₀ helix	trans	-79	-21.3	-179	-121	-90.3	0	0	0	113.9	V10	V10-F12 VanDerWaalsContact C-N 3.26Å; V10-F12 PolarHBondContact O-N 2.89Å
13	L	30.1	Very low	31	Very low	145 Å²	145	150.5 Å²	150.5	76%	0.759	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	-13.3	-172.7	-102.8	150.4	0	0	0	114.6	V10	V10-L13 PolarHBondContact O-N 2.84Å
14	V	27.7	Very low	31.6	Very low	111 Å²	111	146.3 Å²	146.3	67%	0.673	79%	0.786	S	S	*	*	G	3₁₀ helix	trans	-88	-5.8	-178.7	-176.2	0	0	0	0	112.9	I16	V14-I16 PolarHBondContact O-N 3.1Å
15	C	29.4	Very low	32.5	Very low	115 Å²	115	149.1 Å²	149.1	78%	0.777	79%	0.788	S	S	*	*	G	3₁₀ helix	trans	-84.5	1.8	-177.9	-73.2	0	0	0	0	116
16	I	29.7	Very low	34.2	Very low	157 Å²	157	148.7 Å²	148.7	81%	0.805	78%	0.777	S	S	*	*	G	3₁₀ helix	trans	-102.5	-7.3	-176.3	-64.1	178.2	0	0	0	113.3	V14	V14-I16 PolarHBondContact O-N 3.1Å
17	S	25.4	Very low	36.1	Very low	104 Å²	104	144 Å²	144	73%	0.727	76%	0.757	S	S	*	*			trans	-115.8	78.9	178.9	176	0	0	0	0	111
18	M	27	Very low	37.1	Very low	191 Å²	191	146.9 Å²	146.9	94%	0.941	76%	0.762	S	S	*	*			trans	-155.1	88.6	151.9	-81.4	-134.8	141.5	0	0	109.5
19	S	26.4	Very low	38.8	Very low	108 Å²	108	138.7 Å²	138.7	76%	0.755	75%	0.752	S	S	*	*			trans	-71.8	146.6	156.3	61.4	0	0	0	0	109.3
20	R	28.1	Very low	40.6	Very low	241 Å²	241	130 Å²	130	91%	0.909	72%	0.722	S	S	*	*	S	Bend	trans	81.7	102.5	173.4	-58.5	-176.5	173.9	-177.9	-1.4	117.5
21	A	29.6	Very low	42.1	Very low	94 Å²	94	135.2 Å²	135.2	78%	0.777	73%	0.731	S	S	*	*			trans	34.8	100.6	136.1	0	0	0	0	0	118.3
22	N	27.7	Very low	44.1	Very low	165 Å²	165	132.6 Å²	132.6	88%	0.882	73%	0.727	S	S	*	*			trans	-151.2	123.6	139.4	-102.6	-26.9	0	0	0	110.1	G24	N22-G24 PolarHBondContact O-N 3.04Å
23	K	39.5	Very low	45.4	Very low	230 Å²	230	132.2 Å²	132.2	100%	1	73%	0.725	S	S	*	*			trans	-67.8	84.8	166.2	-75.1	176.4	177.3	171.8	0	107.2
24	G	40.9	Very low	47.2	Very low	51 Å²	51	130.2 Å²	130.2	53%	0.526	71%	0.712	S	S	.	*			trans	-126.3	138.2	-170.3	0	0	0	0	0	112.9	N22	N22-G24 PolarHBondContact O-N 3.04Å
25	H	50	Low	49.3	Very low	185 Å²	185	127.3 Å²	127.3	86%	0.856	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-46.9	160.8	179.3	-86.5	-92.5	0	0	0	115.6
26	R	72.6	Confident	51.2	Low	128 Å²	128	123.9 Å²	123.9	48%	0.483	68%	0.676	S	S	.	*	P	Polyproline II helix	trans	-50.9	141.6	171.6	71.3	-177.4	179.4	111	-1	110.9	L30 W38	R26-L30 PolarHBondContact NH1-O 3.25Å; R26-W38 HydrophobicContact CB-CE3 4.33Å; R26-W38 HydrophobicContact CB-CH2 4.15Å; R26-W38 HydrophobicContact CB-CZ2 4.38Å; R26-W38 HydrophobicContact CB-CZ3 4.13Å
27	P	70.6	Confident	53.1	Low	64 Å²	64	121.6 Å²	121.6	42%	0.416	67%	0.665	S	S	.	*	P	Polyproline II helix	trans	-55.3	133.3	171.7	-24.3	31.9	0	0	0	111.5	L30	P27-L30 HydrophobicContact CB-CD1 4.21Å; P27-L30 HydrophobicContact CG-CD1 4.16Å
28	P	54.4	Low	55.4	Low	132 Å²	132	119.7 Å²	119.7	86%	0.857	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	137.6	171.5	24.6	-30	0	0	0	110.1
29	G	69	Low	57.4	Low	66 Å²	66	115.6 Å²	115.6	68%	0.68	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	113.9	-21.6	178.1	0	0	0	0	0	115.9	R31	G29-R31 PolarHBondContact O-N 3.45Å
30	L	72.9	Confident	59.1	Low	40 Å²	40	112.5 Å²	112.5	21%	0.209	60%	0.601	C	S	.	*			trans	-65.8	129.8	178.9	-64.8	166.5	0	0	0	111.5	R26 P27 E34 I35 W38	R26-L30 PolarHBondContact NH1-O 3.25Å; P27-L30 HydrophobicContact CB-CD1 4.21Å; P27-L30 HydrophobicContact CG-CD1 4.16Å; L30-E34 HydrophobicContact CB-CB 4.34Å; L30-E34 HydrophobicContact CD2-CB 3.74Å; L30-I35 HydrophobicContact CB-CG1 3.95Å; L30-W38 HydrophobicContact CD1-CB 4.2Å; L30-W38 HydrophobicContact CD1-CG 4.09Å
31	R	64.6	Low	60.6	Low	212 Å²	212	103.4 Å²	103.4	80%	0.8	58%	0.578	S	S	*	*			trans	-124.7	143.9	175.7	-64.5	-167.5	-172.5	-136.5	4	112.8	G29 K33 E34	G29-R31 PolarHBondContact O-N 3.45Å; R31-K33 PolarHBondContact O-N 2.95Å; R31-K33 VanDerWaalsContact O-N 3.13Å; R31-E34 PolarHBondContact N-OE2 3.34Å; R31-E34 PolarHBondContact O-N 3.48Å
32	G	77.2	Confident	61.9	Low	60 Å²	60	102.3 Å²	102.3	62%	0.619	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	54.7	-113.2	170.5	0	0	0	0	0	114.7	E34 I35	G32-E34 VanDerWaalsContact C-N 3.25Å; G32-E34 PolarHBondContact O-N 3.42Å; G32-I35 WeakPolarHBondContact O-CB 3.4Å; G32-I35 PolarHBondContact O-N 3.38Å
33	K	61	Low	62.9	Low	178 Å²	178	97.4 Å²	97.4	77%	0.774	54%	0.535	S	S	*	.	H	α-helix	trans	-63.1	-28.9	-174.8	-165.9	179.8	179.9	-173.5	0	113	R31 I35 G36 L37	R31-K33 PolarHBondContact O-N 2.95Å; R31-K33 VanDerWaalsContact O-N 3.13Å; K33-I35 VanDerWaalsContact C-N 3.33Å; K33-I35 PolarHBondContact O-N 2.67Å; K33-G36 PolarHBondContact O-N 3.11Å; K33-L37 HydrophobicContact CG-CD1 4.5Å; K33-L37 PolarHBondContact O-N 3.28Å
34	E	66.9	Low	63.2	Low	102 Å²	102	93.8 Å²	93.8	48%	0.477	52%	0.519	S	S	.	.	H	α-helix	trans	-68.1	-33.7	179.8	-58.5	173.4	153.7	0	0	111.8	L30 R31 G32 L37 W38	L30-E34 HydrophobicContact CB-CB 4.34Å; L30-E34 HydrophobicContact CD2-CB 3.74Å; R31-E34 PolarHBondContact N-OE2 3.34Å; R31-E34 PolarHBondContact O-N 3.48Å; G32-E34 VanDerWaalsContact C-N 3.25Å; G32-E34 PolarHBondContact O-N 3.42Å; E34-L37 PolarHBondContact O-N 2.99Å; E34-W38 WeakPolarHBondContact O-CB 3.32Å; E34-W38 PolarHBondContact O-N 2.76Å
35	I	72.6	Confident	62.9	Low	50 Å²	50	96.5 Å²	96.5	26%	0.256	52%	0.522	S	S	.	.	H	α-helix	trans	-64.8	-44.1	173.9	-61	173.1	0	0	0	109.7	L30 G32 K33 W38 H39	L30-I35 HydrophobicContact CB-CG1 3.95Å; G32-I35 WeakPolarHBondContact O-CB 3.4Å; G32-I35 PolarHBondContact O-N 3.38Å; K33-I35 VanDerWaalsContact C-N 3.33Å; K33-I35 PolarHBondContact O-N 2.67Å; I35-W38 PolarHBondContact O-N 2.88Å; I35-H39 PolarHBondContact O-CD2 3.5Å; I35-H39 PolarHBondContact O-N 3.08Å
36	G	68.4	Low	62.1	Low	44 Å²	44	96.4 Å²	96.4	45%	0.454	51%	0.514	S	S	.	.	H	α-helix	trans	-63.1	-41.9	176.6	0	0	0	0	0	112.8	K33 H39 A40	K33-G36 PolarHBondContact O-N 3.11Å; G36-H39 PolarHBondContact O-N 3.2Å; G36-A40 VanDerWaalsContact O-CB 3.27Å; G36-A40 WeakPolarHBondContact O-CB 3.35Å; G36-A40 PolarHBondContact O-N 3.05Å
37	L	70.2	Confident	60.3	Low	108 Å²	108	95.6 Å²	95.6	57%	0.565	53%	0.526	S	S	*	.	H	α-helix	trans	-67.1	-39	174.6	-75.5	167.4	0	0	0	112.1	K33 E34 A40 A41	K33-L37 HydrophobicContact CG-CD1 4.5Å; K33-L37 PolarHBondContact O-N 3.28Å; E34-L37 PolarHBondContact O-N 2.99Å; L37-A40 PolarHBondContact O-N 2.97Å; L37-A41 WeakPolarHBondContact O-CB 3.45Å; L37-A41 PolarHBondContact O-N 2.93Å
38	W	73.3	Confident	58.5	Low	65 Å²	65	97.4 Å²	97.4	25%	0.246	54%	0.536	C	S	.	.	H	α-helix	trans	-63.3	-43.4	175.2	-173.9	86.5	0	0	0	111.2	R26 L30 E34 I35 A41 Q42	R26-W38 HydrophobicContact CB-CE3 4.33Å; R26-W38 HydrophobicContact CB-CH2 4.15Å; R26-W38 HydrophobicContact CB-CZ2 4.38Å; R26-W38 HydrophobicContact CB-CZ3 4.13Å; L30-W38 HydrophobicContact CD1-CB 4.2Å; L30-W38 HydrophobicContact CD1-CG 4.09Å; E34-W38 WeakPolarHBondContact O-CB 3.32Å; E34-W38 PolarHBondContact O-N 2.76Å; I35-W38 PolarHBondContact O-N 2.88Å; W38-A41 PolarHBondContact O-N 2.66Å; W38-Q42 HydrophobicContact CD2-CG 4.07Å; W38-Q42 HydrophobicContact CE3-CG 4.12Å; W38-Q42 HydrophobicContact CH2-CG 4.14Å; W38-Q42 HydrophobicContact CZ2-CG 4.09Å; W38-Q42 HydrophobicContact CZ3-CG 4.15Å; W38-Q42 VanDerWaalsContact O-CB 3.23Å; W38-Q42 WeakPolarHBondContact O-CB 3.36Å; W38-Q42 WeakPolarHBondContact O-CG 3.41Å; W38-Q42 PolarHBondContact O-N 2.85Å
39	H	69.1	Low	57.3	Low	105 Å²	105	92.8 Å²	92.8	49%	0.486	51%	0.513	S	S	.	.	H	α-helix	trans	-68	-34.9	173.6	-77.7	-66.7	0	0	0	113.2	I35 G36 S43	I35-H39 PolarHBondContact O-CD2 3.5Å; I35-H39 PolarHBondContact O-N 3.08Å; G36-H39 PolarHBondContact O-N 3.2Å; H39-S43 WeakPolarHBondContact O-CB 3.4Å; H39-S43 PolarHBondContact O-N 2.7Å
40	A	62.3	Low	55.3	Low	43 Å²	43	98 Å²	98	36%	0.355	52%	0.519	S	S	.	.	H	α-helix	trans	-73.2	-34.6	175.8	0	0	0	0	0	112.5	G36 L37 S43 K44	G36-A40 VanDerWaalsContact O-CB 3.27Å; G36-A40 WeakPolarHBondContact O-CB 3.35Å; G36-A40 PolarHBondContact O-N 3.05Å; L37-A40 PolarHBondContact O-N 2.97Å; A40-S43 PolarHBondContact O-N 2.73Å; A40-S43 PolarHBondContact O-OG 3Å; A40-K44 WeakPolarHBondContact O-CB 3.1Å; A40-K44 WeakPolarHBondContact O-CG 3.34Å; A40-K44 PolarHBondContact O-N 3.47Å
41	A	60.7	Low	53.2	Low	50 Å²	50	101.3 Å²	101.3	41%	0.413	54%	0.537	S	S	.	.	H	α-helix	trans	-70.4	-41.5	172.2	0	0	0	0	0	110.3	L37 W38 S43 K44 N45	L37-A41 WeakPolarHBondContact O-CB 3.45Å; L37-A41 PolarHBondContact O-N 2.93Å; W38-A41 PolarHBondContact O-N 2.66Å; A41-S43 VanDerWaalsContact C-N 3.31Å; A41-S43 PolarHBondContact O-N 3.29Å; A41-K44 PolarHBondContact O-N 3.05Å; A41-N45 WeakPolarHBondContact O-CB 3.45Å; A41-N45 PolarHBondContact O-N 3.3Å
42	Q	56.8	Low	51.4	Low	71 Å²	71	98 Å²	98	33%	0.332	54%	0.535	S	S	.	.	H	α-helix	trans	-61.7	-36	168.9	-78.6	-91.3	5.3	0	0	111.8	W38 N45 R46	W38-Q42 HydrophobicContact CD2-CG 4.07Å; W38-Q42 HydrophobicContact CE3-CG 4.12Å; W38-Q42 HydrophobicContact CH2-CG 4.14Å; W38-Q42 HydrophobicContact CZ2-CG 4.09Å; W38-Q42 HydrophobicContact CZ3-CG 4.15Å; W38-Q42 VanDerWaalsContact O-CB 3.23Å; W38-Q42 WeakPolarHBondContact O-CB 3.36Å; W38-Q42 WeakPolarHBondContact O-CG 3.41Å; W38-Q42 PolarHBondContact O-N 2.85Å; Q42-N45 CarbonylContact O-C 3.52Å; Q42-R46 VanDerWaalsContact O-CB 3.29Å; Q42-R46 WeakPolarHBondContact O-CB 3.4Å; Q42-R46 WeakPolarHBondContact O-CG 3.29Å; Q42-R46 PolarHBondContact O-N 3.48Å
43	S	48.5	Very low	49.5	Very low	61 Å²	61	101.2 Å²	101.2	43%	0.427	53%	0.529	S	S	.	.	H	α-helix	trans	-75.3	-38.7	177.1	81.5	0	0	0	0	112.3	H39 A40 A41 R46 C47	H39-S43 WeakPolarHBondContact O-CB 3.4Å; H39-S43 PolarHBondContact O-N 2.7Å; A40-S43 PolarHBondContact O-N 2.73Å; A40-S43 PolarHBondContact O-OG 3Å; A41-S43 VanDerWaalsContact C-N 3.31Å; A41-S43 PolarHBondContact O-N 3.29Å; S43-R46 CarbonylContact O-C 3.55Å; S43-R46 PolarHBondContact O-N 3.18Å; S43-C47 PolarHBondContact O-N 3.34Å; S43-C47 PolarHBondContact O-SG 2.91Å; S43-C47 VanDerWaalsContact O-SG 3.34Å
44	K	44.4	Very low	48.2	Very low	154 Å²	154	101.2 Å²	101.2	67%	0.67	53%	0.532	S	S	*	.	H	α-helix	trans	-63.5	-42.4	170.3	-80.4	-172.1	175.3	-172.4	0	111.2	A40 A41 R46 C47 T48	A40-K44 WeakPolarHBondContact O-CB 3.1Å; A40-K44 WeakPolarHBondContact O-CG 3.34Å; A40-K44 PolarHBondContact O-N 3.47Å; A41-K44 PolarHBondContact O-N 3.05Å; K44-R46 VanDerWaalsContact C-N 3.31Å; K44-R46 PolarHBondContact O-N 3.11Å; K44-C47 CarbonylContact O-C 3.48Å; K44-C47 WeakPolarHBondContact O-CA 3.46Å; K44-C47 WeakPolarHBondContact O-CB 3.5Å; K44-C47 PolarHBondContact O-N 3.48Å; K44-T48 PolarHBondContact O-N 2.99Å; K44-T48 PolarHBondContact O-OG1 3.15Å; K44-T48 VanDerWaalsContact O-OG1 3.08Å
45	N	36	Very low	47.3	Very low	108 Å²	108	99 Å²	99	58%	0.578	53%	0.526	S	S	*	.	H	α-helix	trans	-73.4	-17.9	173.5	-73.6	-2.1	0	0	0	113.5	A41 Q42 T48 G49	A41-N45 WeakPolarHBondContact O-CB 3.45Å; A41-N45 PolarHBondContact O-N 3.3Å; Q42-N45 CarbonylContact O-C 3.52Å; N45-T48 WeakPolarHBondContact CA-OG1 3.31Å; N45-G49 WeakPolarHBondContact O-CA 3.42Å; N45-G49 PolarHBondContact O-N 3.46Å
46	R	32.6	Very low	46.6	Very low	184 Å²	184	104.9 Å²	104.9	69%	0.694	55%	0.549	S	S	*	.	H	α-helix	trans	-79.5	-21.4	164.2	-80.3	174.2	-177.7	-169.6	0.2	112.3	Q42 S43 K44	Q42-R46 VanDerWaalsContact O-CB 3.29Å; Q42-R46 WeakPolarHBondContact O-CB 3.4Å; Q42-R46 WeakPolarHBondContact O-CG 3.29Å; Q42-R46 PolarHBondContact O-N 3.48Å; S43-R46 CarbonylContact O-C 3.55Å; S43-R46 PolarHBondContact O-N 3.18Å; K44-R46 VanDerWaalsContact C-N 3.31Å; K44-R46 PolarHBondContact O-N 3.11Å
47	C	35.5	Very low	46.7	Very low	110 Å²	110	106.2 Å²	106.2	74%	0.743	54%	0.543	S	S	*	.	H	α-helix	trans	-87.9	-27.3	173.1	-71.4	0	0	0	0	112.8	S43 K44	S43-C47 PolarHBondContact O-N 3.34Å; S43-C47 PolarHBondContact O-SG 2.91Å; S43-C47 VanDerWaalsContact O-SG 3.34Å; K44-C47 CarbonylContact O-C 3.48Å; K44-C47 WeakPolarHBondContact O-CA 3.46Å; K44-C47 WeakPolarHBondContact O-CB 3.5Å; K44-C47 PolarHBondContact O-N 3.48Å
48	T	32.8	Very low	46.9	Very low	102 Å²	102	102.8 Å²	102.8	63%	0.626	53%	0.53	S	S	*	.	H	α-helix	trans	-103.6	-17.3	175.7	57.6	0	0	0	0	113.6	K44 N45 H50	K44-T48 PolarHBondContact O-N 2.99Å; K44-T48 PolarHBondContact O-OG1 3.15Å; K44-T48 VanDerWaalsContact O-OG1 3.08Å; N45-T48 WeakPolarHBondContact CA-OG1 3.31Å; T48-H50 PolarHBondContact O-N 3.28Å; T48-H50 VanDerWaalsContact O-N 3.13Å
49	G	27.9	Very low	47.2	Very low	36 Å²	36	103.9 Å²	103.9	37%	0.371	55%	0.547	S	S	.	.	S	Bend	trans	-57.1	122.5	167.9	0	0	0	0	0	106.6	N45 L51	N45-G49 WeakPolarHBondContact O-CA 3.42Å; N45-G49 PolarHBondContact O-N 3.46Å; G49-L51 PolarHBondContact O-N 3.14Å
50	H	27.5	Very low	47.9	Very low	174 Å²	174	99.1 Å²	99.1	81%	0.806	53%	0.526	S	S	*	.			trans	-42.9	82.3	161.2	-76.7	-84.1	0	0	0	108.5	T48 D52	T48-H50 PolarHBondContact O-N 3.28Å; T48-H50 VanDerWaalsContact O-N 3.13Å; H50-D52 PolarHBondContact O-N 3.4Å
51	L	30	Very low	48.7	Very low	110 Å²	110	99.1 Å²	99.1	58%	0.576	52%	0.522	S	S	*	.			trans	-58.7	100.5	145	-86.2	129	0	0	0	101	G49 Y53	G49-L51 PolarHBondContact O-N 3.14Å; L51-Y53 HydrophobicContact CB-CD2 3.61Å; L51-Y53 HydrophobicContact CB-CE2 3.69Å; L51-Y53 HydrophobicContact CD1-CE2 4.3Å; L51-Y53 HydrophobicContact CD2-CE2 4.02Å; L51-Y53 HydrophobicContact CG-CE2 4.22Å; L51-Y53 PolarHBondContact O-N 3.07Å
52	D	25.9	Very low	49.7	Very low	142 Å²	142	100.2 Å²	100.2	76%	0.759	52%	0.52	S	S	*	.			trans	-54.8	68.8	153.2	-73.9	-32.1	0	0	0	106.8	H50 Q54	H50-D52 PolarHBondContact O-N 3.4Å; D52-Q54 PolarHBondContact O-N 3.09Å
53	Y	37.4	Very low	51	Low	128 Å²	128	101.4 Å²	101.4	50%	0.502	53%	0.532	S	S	.	.			trans	-58.8	96.5	142.2	-75.7	-84.2	0	0	0	101.7	L51 T55 R887	L51-Y53 HydrophobicContact CB-CD2 3.61Å; L51-Y53 HydrophobicContact CB-CE2 3.69Å; L51-Y53 HydrophobicContact CD1-CE2 4.3Å; L51-Y53 HydrophobicContact CD2-CE2 4.02Å; L51-Y53 HydrophobicContact CG-CE2 4.22Å; L51-Y53 PolarHBondContact O-N 3.07Å; Y53-T55 WeakPolarHBondContact O-CA 3.47Å; Y53-T55 PolarHBondContact O-N 3.36Å; Y53-T55 PolarHBondContact O-OG1 3.46Å; Y53-R887 PolarHBondContact OH-NH2 3.35Å; Y53-R887 VanDerWaalsContact OH-NH2 3.07Å
54	Q	33.2	Very low	52.7	Low	179 Å²	179	101.1 Å²	101.1	84%	0.836	54%	0.539	S	S	*	.			trans	-42.2	95.4	151.8	-75.8	-179.9	-17.2	0	0	104.2	D52 K56	D52-Q54 PolarHBondContact O-N 3.09Å; Q54-K56 PolarHBondContact O-N 3.2Å
55	T	48.1	Very low	54.7	Low	56 Å²	56	95.1 Å²	95.1	34%	0.344	51%	0.514	S	S	.	.			trans	-74.4	98	-169.8	-31.5	0	0	0	0	100.9	Y53 F57 K978	Y53-T55 WeakPolarHBondContact O-CA 3.47Å; Y53-T55 PolarHBondContact O-N 3.36Å; Y53-T55 PolarHBondContact O-OG1 3.46Å; T55-F57 VanDerWaalsContact O-CD2 3.26Å; T55-F57 WeakPolarHBondContact O-CD2 3.44Å; T55-F57 PolarHBondContact O-N 2.81Å; T55-K978 HydrophobicContact CG2-CD 4.42Å
56	K	59	Low	57.4	Low	172 Å²	172	94.2 Å²	94.2	75%	0.748	51%	0.509	S	S	*	.			trans	-55.4	109.3	179.4	-77.7	-173.2	174.2	-174.2	0	105.8	Q54 A58	Q54-K56 PolarHBondContact O-N 3.2Å; K56-A58 PolarHBondContact O-N 3.36Å
57	F	70.1	Confident	60.2	Low	72 Å²	72	88.5 Å²	88.5	32%	0.316	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-62.7	124.6	171.4	-70.4	-99.9	0	0	0	105.8	T55 S59 L970 K978	T55-F57 VanDerWaalsContact O-CD2 3.26Å; T55-F57 WeakPolarHBondContact O-CD2 3.44Å; T55-F57 PolarHBondContact O-N 2.81Å; F57-S59 PolarHBondContact O-N 3.32Å; F57-L970 HydrophobicContact CB-CD2 4.24Å; F57-L970 HydrophobicContact CD1-CB 4.33Å; F57-L970 HydrophobicContact CD1-CD2 3.75Å; F57-L970 HydrophobicContact CD1-CG 4.44Å; F57-L970 HydrophobicContact CD2-CD1 4.44Å; F57-L970 HydrophobicContact CD2-CD2 4.07Å; F57-L970 HydrophobicContact CE1-CB 3.97Å; F57-L970 HydrophobicContact CE1-CD1 4.11Å; F57-L970 HydrophobicContact CE1-CD2 4.06Å; F57-L970 HydrophobicContact CE1-CG 4.27Å; F57-L970 HydrophobicContact CE2-CD1 3.96Å; F57-L970 HydrophobicContact CE2-CD2 4.36Å; F57-L970 HydrophobicContact CG-CD2 3.77Å; F57-L970 HydrophobicContact CZ-CB 4.44Å; F57-L970 HydrophobicContact CZ-CD1 3.78Å; F57-L970 HydrophobicContact CZ-CD2 4.37Å; F57-L970 HydrophobicContact CZ-CG 4.43Å; F57-K978 HydrophobicContact CD1-CB 3.6Å; F57-K978 HydrophobicContact CE1-CB 3.65Å; F57-K978 HydrophobicContact CE1-CD 3.98Å; F57-K978 HydrophobicContact CE1-CG 4.25Å; F57-K978 HydrophobicContact CG-CB 4.41Å; F57-K978 HydrophobicContact CZ-CB 4.48Å; F57-K978 HydrophobicContact CZ-CD 4.08Å
58	A	74.6	Confident	63	Low	36 Å²	36	87.8 Å²	87.8	30%	0.298	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	128.1	172.1	0	0	0	0	0	107.7	K56 L951 K978 F979 S980	K56-A58 PolarHBondContact O-N 3.36Å; A58-L951 HydrophobicContact CB-CD2 4.25Å; A58-K978 PolarHBondContact N-O 3.21Å; A58-F979 CarbonylContact O-C 3.47Å; A58-F979 WeakPolarHBondContact O-CA 3.43Å; A58-F979 VanDerWaalsContact O-CB 3.25Å; A58-F979 WeakPolarHBondContact O-CB 3.32Å; A58-S980 PolarHBondContact O-N 3.41Å
59	S	79.8	Confident	65.8	Low	88 Å²	88	86.5 Å²	86.5	62%	0.615	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	128.8	174.4	-173.8	0	0	0	0	109	F57 P61 S980	F57-S59 PolarHBondContact O-N 3.32Å; S59-P61 VanDerWaalsContact O-CD 3.25Å; S59-P61 WeakPolarHBondContact O-CD 3.45Å; S59-S980 WeakPolarHBondContact CA-OG 3.48Å
60	M	82.4	Confident	69	Low	6 Å²	6	85 Å²	85	3%	0.03	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-64.8	118.1	179.6	-173.5	-178.3	80.5	0	0	110	L62 L955 F979 S980 V985 V986 L989	M60-L62 HydrophobicContact CE-CD2 3.63Å; M60-L62 PolarHBondContact O-N 2.76Å; M60-L955 HydrophobicContact CG-CD1 3.91Å; M60-L955 HydrophobicContact SD-CD1 3.65Å; M60-F979 HydrophobicContact CB-CD2 4.33Å; M60-S980 VanDerWaalsContact CB-O 3.31Å; M60-S980 WeakPolarHBondContact CB-O 3.28Å; M60-S980 PolarHBondContact N-O 3.43Å; M60-V985 HydrophobicContact CE-CB 3.82Å; M60-V985 HydrophobicContact CE-CG1 3.32Å; M60-V986 HydrophobicContact CE-CG2 4.48Å; M60-V986 HydrophobicContact SD-CG2 4.24Å; M60-L989 HydrophobicContact CE-CD1 4.31Å; M60-L989 HydrophobicContact SD-CD1 3.85Å
61	P	79.4	Confident	72.1	Confident	42 Å²	42	81.7 Å²	81.7	27%	0.273	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-66.8	126.8	-179.6	-22	35.1	0	0	0	110.7	S59 R952 E1032	S59-P61 VanDerWaalsContact O-CD 3.25Å; S59-P61 WeakPolarHBondContact O-CD 3.45Å; P61-R952 PolarHBondContact O-NE 2.69Å; P61-R952 PolarHBondContact O-NH2 3.01Å; P61-E1032 HydrophobicContact CB-CG 4.31Å; P61-E1032 HydrophobicContact CG-CG 4.24Å; P61-E1032 WeakPolarHBondContact CG-OE1 3.34Å
62	L	82.8	Confident	75.2	Confident	73 Å²	73	79.4 Å²	79.4	38%	0.382	43%	0.433	S	S	.	.			trans	-91.3	-6.9	175.5	-60.1	179.1	0	0	0	113.4	M60 G64 L65 V985	M60-L62 HydrophobicContact CE-CD2 3.63Å; M60-L62 PolarHBondContact O-N 2.76Å; L62-G64 PolarHBondContact O-N 2.98Å; L62-L65 HydrophobicContact CB-CD1 4.4Å; L62-L65 HydrophobicContact CD2-CD1 3.79Å; L62-L65 WeakPolarHBondContact O-CB 3.42Å; L62-L65 WeakPolarHBondContact O-CG 3.23Å; L62-L65 PolarHBondContact O-N 3.03Å; L62-V985 HydrophobicContact CD2-CB 4.46Å; L62-V985 HydrophobicContact CD2-CG1 4.06Å; L62-V985 HydrophobicContact CD2-CG2 4.19Å
63	V	83.2	Confident	78.4	Confident	97 Å²	97	72.9 Å²	72.9	59%	0.588	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	125.6	-174.9	178.4	0	0	0	0	111.5	L65 R952	V63-L65 VanDerWaalsContact C-N 3.28Å; V63-L65 PolarHBondContact O-N 3.17Å; V63-R952 PolarHBondContact O-NH1 3.3Å; V63-R952 PolarHBondContact O-NH2 3.36Å
64	G	84.5	Confident	81	Confident	55 Å²	55	67.6 Å²	67.6	57%	0.567	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	6.6	177	0	0	0	0	0	115.7	L62 N66 S1031	L62-G64 PolarHBondContact O-N 2.98Å; G64-N66 PolarHBondContact O-N 3.47Å; G64-S1031 PolarHBondContact O-OG 3.44Å
65	L	86.9	Confident	83.8	Confident	28 Å²	28	65.1 Å²	65.1	15%	0.147	37%	0.367	C	S	.	.			trans	-73.9	118.9	173.4	-67.1	-178.8	0	0	0	111.6	L62 V63 L67 V985 L1028	L62-L65 HydrophobicContact CB-CD1 4.4Å; L62-L65 HydrophobicContact CD2-CD1 3.79Å; L62-L65 WeakPolarHBondContact O-CB 3.42Å; L62-L65 WeakPolarHBondContact O-CG 3.23Å; L62-L65 PolarHBondContact O-N 3.03Å; V63-L65 VanDerWaalsContact C-N 3.28Å; V63-L65 PolarHBondContact O-N 3.17Å; L65-L67 HydrophobicContact CB-CD2 4.23Å; L65-L67 HydrophobicContact CD1-CD2 4.49Å; L65-L67 PolarHBondContact O-N 2.96Å; L65-V985 HydrophobicContact CD1-CG1 3.92Å; L65-L1028 HydrophobicContact CD2-CD1 3.18Å
66	N	92.1	Very high	85.7	Confident	89 Å²	89	64.8 Å²	64.8	48%	0.476	36%	0.362	S	S	.	.			trans	-94.2	78.6	171.6	-170.1	-21.4	0	0	0	110.5	G64 P68 K69 I70	G64-N66 PolarHBondContact O-N 3.47Å; N66-P68 WeakPolarHBondContact OD1-CD 3.26Å; N66-K69 HydrophobicContact CB-CB 4.05Å; N66-K69 PolarHBondContact O-N 3Å; N66-K69 WeakPolarHBondContact OD1-CB 3.41Å; N66-K69 PolarHBondContact OD1-N 3.2Å; N66-K69 VanDerWaalsContact OD1-N 3.1Å; N66-I70 WeakPolarHBondContact O-CG1 3.16Å; N66-I70 PolarHBondContact O-N 3.48Å
67	L	92.1	Very high	87	Confident	63 Å²	63	59.8 Å²	59.8	33%	0.33	34%	0.34	S	S	.	.	H	α-helix	trans	-57.3	-41.8	-178	-55.1	176.6	0	0	0	113.6	L65 K69 I70 Q71 V985 L988	L65-L67 HydrophobicContact CB-CD2 4.23Å; L65-L67 HydrophobicContact CD1-CD2 4.49Å; L65-L67 PolarHBondContact O-N 2.96Å; L67-K69 PolarHBondContact O-N 3.1Å; L67-I70 PolarHBondContact O-N 3.43Å; L67-Q71 WeakPolarHBondContact O-CB 3.19Å; L67-Q71 PolarHBondContact O-N 2.89Å; L67-V985 HydrophobicContact CD1-CG2 4.11Å; L67-V985 HydrophobicContact CD2-CG1 3.99Å; L67-V985 HydrophobicContact CD2-CG2 4.34Å; L67-L988 HydrophobicContact CB-CD2 4.11Å; L67-L988 HydrophobicContact CD2-CD2 3.73Å
68	P	92.9	Very high	87.3	Confident	96 Å²	96	60.6 Å²	60.6	62%	0.623	35%	0.351	S	S	*	.	H	α-helix	trans	-60.1	-42.9	176.3	-25.3	35.1	0	0	0	113.3	N66 Q71 S72	N66-P68 WeakPolarHBondContact OD1-CD 3.26Å; P68-Q71 PolarHBondContact O-N 2.91Å; P68-S72 WeakPolarHBondContact O-CB 3.43Å; P68-S72 PolarHBondContact O-N 3.41Å
69	K	93.2	Very high	86.9	Confident	75 Å²	75	66.9 Å²	66.9	33%	0.326	37%	0.374	S	S	.	.	H	α-helix	trans	-63.1	-44.8	176	-177.8	179.6	178.5	-178.2	0	111.3	N66 L67 Q71 S72 V73 T1024 D1027	N66-K69 HydrophobicContact CB-CB 4.05Å; N66-K69 PolarHBondContact O-N 3Å; N66-K69 WeakPolarHBondContact OD1-CB 3.41Å; N66-K69 PolarHBondContact OD1-N 3.2Å; N66-K69 VanDerWaalsContact OD1-N 3.1Å; L67-K69 PolarHBondContact O-N 3.1Å; K69-Q71 PolarHBondContact O-N 3.42Å; K69-S72 PolarHBondContact O-N 3.07Å; K69-V73 WeakPolarHBondContact O-CG2 3.32Å; K69-V73 PolarHBondContact O-N 3.37Å; K69-T1024 WeakPolarHBondContact CE-OG1 3.39Å; K69-T1024 HydrophobicContact CG-CG2 4.47Å; K69-D1027 IonicContact NZ-OD2 3.58Å; K69-D1027 PolarHBondContact NZ-OD2 3.3Å
70	I	93.5	Very high	85.5	Confident	4 Å²	4	68.4 Å²	68.4	2%	0.021	38%	0.382	C	S	.	.	H	α-helix	trans	-59.8	-47.5	177.8	-66.4	166.3	0	0	0	110.5	N66 L67 S72 V73 I74 L988 L992 T1024	N66-I70 WeakPolarHBondContact O-CG1 3.16Å; N66-I70 PolarHBondContact O-N 3.48Å; L67-I70 PolarHBondContact O-N 3.43Å; I70-S72 PolarHBondContact O-N 3.33Å; I70-V73 PolarHBondContact O-N 3.2Å; I70-I74 HydrophobicContact CG2-CD1 3.7Å; I70-I74 HydrophobicContact CG2-CG1 4.42Å; I70-I74 VanDerWaalsContact O-CG1 3.29Å; I70-I74 WeakPolarHBondContact O-CG1 3.47Å; I70-I74 PolarHBondContact O-N 3.16Å; I70-L988 HydrophobicContact CB-CD2 3.91Å; I70-L988 HydrophobicContact CB-CG 4.4Å; I70-L988 HydrophobicContact CG2-CD1 4.22Å; I70-L988 HydrophobicContact CG2-CD2 3.64Å; I70-L988 HydrophobicContact CG2-CG 3.59Å; I70-L992 HydrophobicContact CG1-CD2 4.42Å; I70-L992 HydrophobicContact CG2-CB 4.15Å; I70-L992 HydrophobicContact CG2-CD1 4.34Å; I70-L992 HydrophobicContact CG2-CD2 4.01Å; I70-L992 HydrophobicContact CG2-CG 4.39Å; I70-T1024 HydrophobicContact CB-CG2 4.49Å; I70-T1024 HydrophobicContact CG1-CG2 3.81Å
71	Q	94.2	Very high	83.6	Confident	105 Å²	105	74 Å²	74	49%	0.491	42%	0.416	S	S	.	.	H	α-helix	trans	-62.6	-42.8	179.1	-173.3	174.7	-2.9	0	0	112.2	L67 P68 K69 V73 I74 Q75 L988	L67-Q71 WeakPolarHBondContact O-CB 3.19Å; L67-Q71 PolarHBondContact O-N 2.89Å; P68-Q71 PolarHBondContact O-N 2.91Å; K69-Q71 PolarHBondContact O-N 3.42Å; Q71-V73 VanDerWaalsContact C-N 3.34Å; Q71-V73 PolarHBondContact O-N 3.04Å; Q71-I74 PolarHBondContact O-N 2.86Å; Q71-Q75 WeakPolarHBondContact O-CG 3.34Å; Q71-Q75 PolarHBondContact O-N 3.45Å; Q71-Q75 VanDerWaalsContact O-N 3.14Å; Q71-L988 HydrophobicContact CB-CD1 4.11Å; Q71-L988 HydrophobicContact CG-CD1 4.49Å
72	S	93.3	Very high	81.9	Confident	61 Å²	61	77.3 Å²	77.3	43%	0.427	44%	0.437	S	S	.	.	H	α-helix	trans	-58.2	-44.6	175	170.2	0	0	0	0	112	P68 K69 I70 Q75	P68-S72 WeakPolarHBondContact O-CB 3.43Å; P68-S72 PolarHBondContact O-N 3.41Å; K69-S72 PolarHBondContact O-N 3.07Å; I70-S72 PolarHBondContact O-N 3.33Å; S72-Q75 PolarHBondContact O-N 2.88Å
73	V	93.2	Very high	79.7	Confident	5 Å²	5	80.9 Å²	80.9	3%	0.03	45%	0.452	C	S	.	.	H	α-helix	trans	-68.9	-42.4	-179.8	168.7	0	0	0	0	111.3	K69 I70 Q71 Q75 E76 F77 L992 R1020 L1021 T1024	K69-V73 WeakPolarHBondContact O-CG2 3.32Å; K69-V73 PolarHBondContact O-N 3.37Å; I70-V73 PolarHBondContact O-N 3.2Å; Q71-V73 VanDerWaalsContact C-N 3.34Å; Q71-V73 PolarHBondContact O-N 3.04Å; V73-Q75 VanDerWaalsContact C-N 3.26Å; V73-Q75 PolarHBondContact O-N 3.49Å; V73-E76 WeakPolarHBondContact O-CB 3.35Å; V73-E76 PolarHBondContact O-N 2.98Å; V73-F77 HydrophobicContact CG1-CE2 4.32Å; V73-F77 WeakPolarHBondContact O-CD2 3.32Å; V73-L992 HydrophobicContact CG1-CD1 4.49Å; V73-R1020 HydrophobicContact CG2-CB 4.44Å; V73-L1021 HydrophobicContact CG1-CB 4.22Å; V73-L1021 HydrophobicContact CG1-CD1 3.85Å; V73-T1024 HydrophobicContact CG2-CG2 4.48Å
74	I	93.3	Very high	77.6	Confident	17 Å²	17	83.3 Å²	83.3	9%	0.087	46%	0.461	C	S	.	.	H	α-helix	trans	-56.2	-43.5	176.9	-69.4	162.8	0	0	0	110.7	I70 Q71 E76 F77 V78 L988 D991 L992	I70-I74 HydrophobicContact CG2-CD1 3.7Å; I70-I74 HydrophobicContact CG2-CG1 4.42Å; I70-I74 VanDerWaalsContact O-CG1 3.29Å; I70-I74 WeakPolarHBondContact O-CG1 3.47Å; I70-I74 PolarHBondContact O-N 3.16Å; Q71-I74 PolarHBondContact O-N 2.86Å; I74-E76 PolarHBondContact O-N 3.02Å; I74-E76 VanDerWaalsContact O-N 3.15Å; I74-F77 PolarHBondContact O-N 3.24Å; I74-V78 HydrophobicContact CG2-CG2 4.22Å; I74-V78 WeakPolarHBondContact O-CG2 3.31Å; I74-V78 PolarHBondContact O-N 3.13Å; I74-L988 HydrophobicContact CD1-CD1 3.53Å; I74-L988 HydrophobicContact CD1-CG 3.97Å; I74-L988 WeakPolarHBondContact CD1-O 3.49Å; I74-D991 HydrophobicContact CD1-CB 4.01Å; I74-D991 HydrophobicContact CG2-CB 4.2Å; I74-L992 HydrophobicContact CD1-CB 4.09Å; I74-L992 HydrophobicContact CG1-CB 4.22Å; I74-L992 HydrophobicContact CG1-CD1 4.22Å
75	Q	91.3	Very high	75.7	Confident	127 Å²	127	83.3 Å²	83.3	59%	0.593	45%	0.451	S	S	*	.	H	α-helix	trans	-59.9	-24.7	179.2	-73.6	173.8	-9.3	0	0	113.7	Q71 S72 V73 F77	Q71-Q75 WeakPolarHBondContact O-CG 3.34Å; Q71-Q75 PolarHBondContact O-N 3.45Å; Q71-Q75 VanDerWaalsContact O-N 3.14Å; S72-Q75 PolarHBondContact O-N 2.88Å; V73-Q75 VanDerWaalsContact C-N 3.26Å; V73-Q75 PolarHBondContact O-N 3.49Å; Q75-F77 VanDerWaalsContact C-N 3.29Å; Q75-F77 PolarHBondContact O-N 3.23Å
76	E	88.6	Confident	74.1	Confident	50 Å²	50	89.3 Å²	89.3	23%	0.234	48%	0.476	C	S	.	.	H	α-helix	trans	-74.7	-18.7	176.6	-62.9	-176	-150.3	0	0	114	V73 I74 K1017 R1020	V73-E76 WeakPolarHBondContact O-CB 3.35Å; V73-E76 PolarHBondContact O-N 2.98Å; I74-E76 PolarHBondContact O-N 3.02Å; I74-E76 VanDerWaalsContact O-N 3.15Å; E76-K1017 PolarHBondContact O-NZ 3.19Å; E76-R1020 IonicContact OE1-CZ 3.31Å; E76-R1020 IonicContact OE1-NE 3.05Å; E76-R1020 PolarHBondContact OE1-NE 2.97Å; E76-R1020 IonicContact OE1-NH2 2.73Å; E76-R1020 IonicContact OE2-CZ 2.84Å; E76-R1020 VanDerWaalsContact OE2-CZ 3.31Å; E76-R1020 IonicContact OE2-NE 3.77Å; E76-R1020 PolarHBondContact OE2-NE 2.88Å; E76-R1020 IonicContact OE2-NH2 2.97Å; E76-R1020 PolarHBondContact OE2-NH2 3.07Å
77	F	85.6	Confident	71.7	Confident	66 Å²	66	88.6 Å²	88.6	29%	0.289	48%	0.475	S	S	.	.	H	α-helix	trans	-108.7	-7.9	-177.5	-73.3	-94.3	0	0	0	113.4	V73 I74 Q75 E79 C995 K1017 L1021	V73-F77 HydrophobicContact CG1-CE2 4.32Å; V73-F77 WeakPolarHBondContact O-CD2 3.32Å; I74-F77 PolarHBondContact O-N 3.24Å; Q75-F77 VanDerWaalsContact C-N 3.29Å; Q75-F77 PolarHBondContact O-N 3.23Å; F77-E79 PolarHBondContact O-N 3.17Å; F77-C995 HydrophobicContact CB-CB 4.28Å; F77-C995 HydrophobicContact CG-CB 4.24Å; F77-K1017 HydrophobicContact CE2-CB 4.35Å; F77-K1017 HydrophobicContact CZ-CB 4Å; F77-L1021 HydrophobicContact CD1-CD2 4.5Å; F77-L1021 HydrophobicContact CE1-CD2 3.84Å; F77-L1021 HydrophobicContact CE2-CB 3.83Å; F77-L1021 HydrophobicContact CE2-CD2 3.94Å; F77-L1021 HydrophobicContact CE2-CG 4.31Å; F77-L1021 HydrophobicContact CZ-CB 3.81Å; F77-L1021 HydrophobicContact CZ-CD2 3.52Å; F77-L1021 HydrophobicContact CZ-CG 4.24Å
78	V	77	Confident	69.7	Low	90 Å²	90	89.7 Å²	89.7	55%	0.545	49%	0.488	S	S	.	.	S	Bend	trans	-72.5	110.8	169	176.7	0	0	0	0	107.5	I74	I74-V78 HydrophobicContact CG2-CG2 4.22Å; I74-V78 WeakPolarHBondContact O-CG2 3.31Å; I74-V78 PolarHBondContact O-N 3.13Å
79	E	65.3	Low	67.4	Low	168 Å²	168	91 Å²	91	79%	0.785	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-59.1	137.6	166.7	-71.4	-173.4	168.1	0	0	109	F77 V81	F77-E79 PolarHBondContact O-N 3.17Å; E79-V81 PolarHBondContact O-N 3.14Å; E79-V81 VanDerWaalsContact O-N 3.11Å
80	P	50.4	Low	65.1	Low	119 Å²	119	92.1 Å²	92.1	77%	0.773	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-57.8	123.2	174	22.9	-29.8	0	0	0	108.2	P82	P80-P82 VanDerWaalsContact O-CD 3.31Å; P80-P82 WeakPolarHBondContact O-CD 3.38Å
81	V	44.1	Very low	62.6	Low	124 Å²	124	96.4 Å²	96.4	75%	0.752	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-51.1	118.8	175.1	-179.2	0	0	0	0	107.2	E79 E83	E79-V81 PolarHBondContact O-N 3.14Å; E79-V81 VanDerWaalsContact O-N 3.11Å; V81-E83 PolarHBondContact O-N 2.68Å
82	P	43.3	Very low	60.2	Low	111 Å²	111	96.1 Å²	96.1	72%	0.721	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-56.5	126.6	173.9	-19.6	29.7	0	0	0	107.6	P80 L84	P80-P82 VanDerWaalsContact O-CD 3.31Å; P80-P82 WeakPolarHBondContact O-CD 3.38Å; P82-L84 PolarHBondContact O-N 3.29Å; P82-L84 VanDerWaalsContact O-N 3.07Å
83	E	35.9	Very low	57.7	Low	149 Å²	149	97 Å²	97	70%	0.696	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-51.5	123.5	170.2	-77.4	-157.9	139.9	0	0	107.5	V81 P85 K86	V81-E83 PolarHBondContact O-N 2.68Å; E83-P85 WeakPolarHBondContact O-CD 3.08Å; E83-P85 VanDerWaalsContact O-N 3.16Å; E83-K86 IonicContact OE1-NZ 2.67Å; E83-K86 PolarHBondContact OE1-NZ 2.94Å; E83-K86 IonicContact OE2-NZ 2.89Å; E83-K86 PolarHBondContact OE2-NZ 3.39Å
84	L	38.6	Very low	55.1	Low	148 Å²	148	105 Å²	105	78%	0.775	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-52.8	125.9	172.3	-90.1	123.2	0	0	0	107.8	P82 K86	P82-L84 PolarHBondContact O-N 3.29Å; P82-L84 VanDerWaalsContact O-N 3.07Å; L84-K86 PolarHBondContact O-N 2.95Å; L84-K86 VanDerWaalsContact O-N 3.09Å
85	P	45.6	Very low	52.3	Low	55 Å²	55	110.7 Å²	110.7	36%	0.357	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-56.2	119.8	-178	13.5	-24.2	0	0	0	109.9	E83 T87 E90 L91	E83-P85 WeakPolarHBondContact O-CD 3.08Å; E83-P85 VanDerWaalsContact O-N 3.16Å; P85-T87 PolarHBondContact O-N 3.28Å; P85-E90 WeakPolarHBondContact CA-OE2 3.16Å; P85-E90 HydrophobicContact CB-CB 3.38Å; P85-E90 HydrophobicContact CB-CG 4.32Å; P85-E90 WeakPolarHBondContact CB-OE2 3.43Å; P85-E90 HydrophobicContact CG-CB 4.47Å; P85-L91 HydrophobicContact CG-CD2 4.48Å; P85-L91 HydrophobicContact CG-CG 4.3Å
86	K	53.6	Low	49.5	Very low	154 Å²	154	109.6 Å²	109.6	67%	0.67	59%	0.593	S	S	*	*			trans	-79.9	-7.9	-168.3	-68.1	172.2	-175.5	146	0	112.1	E83 L84 E90	E83-K86 IonicContact OE1-NZ 2.67Å; E83-K86 PolarHBondContact OE1-NZ 2.94Å; E83-K86 IonicContact OE2-NZ 2.89Å; E83-K86 PolarHBondContact OE2-NZ 3.39Å; L84-K86 PolarHBondContact O-N 2.95Å; L84-K86 VanDerWaalsContact O-N 3.09Å; K86-E90 PolarHBondContact N-OE2 3.5Å
87	T	40.9	Very low	46.6	Very low	74 Å²	74	115.6 Å²	115.6	45%	0.454	62%	0.619	S	S	.	*	S	Bend	trans	-130.7	148.1	-175.3	59.4	0	0	0	0	113.3	P85 N89 E90	P85-T87 PolarHBondContact O-N 3.28Å; T87-N89 PolarHBondContact O-N 3.02Å; T87-N89 VanDerWaalsContact O-N 3.14Å; T87-E90 PolarHBondContact O-N 3.1Å; T87-E90 VanDerWaalsContact O-N 3.13Å; T87-E90 PolarHBondContact OG1-OE2 2.72Å
88	S	49	Very low	43.7	Very low	85 Å²	85	119.3 Å²	119.3	59%	0.594	64%	0.641	S	S	*	*	H	α-helix	trans	-55.7	-29.9	-178.2	49.1	0	0	0	0	114.1	I92	S88-I92 WeakPolarHBondContact O-CG1 3.26Å; S88-I92 PolarHBondContact O-N 3.13Å
89	N	45.7	Very low	41.2	Very low	123 Å²	123	120.8 Å²	120.8	66%	0.658	65%	0.652	S	S	*	*	H	α-helix	trans	-73.9	-31.9	-179.5	-70.6	-14.4	0	0	0	112.9	T87 S93	T87-N89 PolarHBondContact O-N 3.02Å; T87-N89 VanDerWaalsContact O-N 3.14Å; N89-S93 PolarHBondContact O-N 3.18Å
90	E	43.9	Very low	39.3	Very low	99 Å²	99	119.4 Å²	119.4	46%	0.463	66%	0.655	S	S	.	*	H	α-helix	trans	-72.7	-34.2	178.5	-70.3	173.2	151.3	0	0	111.8	P85 K86 T87 S93 F94	P85-E90 WeakPolarHBondContact CA-OE2 3.16Å; P85-E90 HydrophobicContact CB-CB 3.38Å; P85-E90 HydrophobicContact CB-CG 4.32Å; P85-E90 WeakPolarHBondContact CB-OE2 3.43Å; P85-E90 HydrophobicContact CG-CB 4.47Å; K86-E90 PolarHBondContact N-OE2 3.5Å; T87-E90 PolarHBondContact O-N 3.1Å; T87-E90 VanDerWaalsContact O-N 3.13Å; T87-E90 PolarHBondContact OG1-OE2 2.72Å; E90-S93 PolarHBondContact O-N 3.4Å; E90-F94 PolarHBondContact O-N 3.45Å
91	L	42.6	Very low	37.9	Very low	94 Å²	94	121.9 Å²	121.9	49%	0.492	66%	0.661	S	S	.	*	H	α-helix	trans	-62.6	-41.6	173.2	-85	157.6	0	0	0	112.3	P85 F94 M95	P85-L91 HydrophobicContact CG-CD2 4.48Å; P85-L91 HydrophobicContact CG-CG 4.3Å; L91-F94 PolarHBondContact O-N 3.19Å; L91-M95 WeakPolarHBondContact O-CG 3.36Å; L91-M95 PolarHBondContact O-N 3.36Å; L91-M95 VanDerWaalsContact O-N 3.16Å
92	I	42.6	Very low	37.1	Very low	100 Å²	100	121.5 Å²	121.5	51%	0.513	66%	0.664	S	S	.	*	H	α-helix	trans	-67.7	-41.3	-179.8	-64.1	166	0	0	0	110.7	S88 F94 M95 C96	S88-I92 WeakPolarHBondContact O-CG1 3.26Å; S88-I92 PolarHBondContact O-N 3.13Å; I92-F94 VanDerWaalsContact C-N 3.26Å; I92-F94 PolarHBondContact O-N 3.04Å; I92-M95 PolarHBondContact O-N 2.93Å; I92-C96 PolarHBondContact O-N 3.15Å; I92-C96 PolarHBondContact O-SG 3.35Å
93	S	41.5	Very low	36.2	Very low	80 Å²	80	123 Å²	123	56%	0.559	67%	0.671	S	S	*	*	H	α-helix	trans	-65.8	-27	176.4	-177.8	0	0	0	0	113.4	N89 E90	N89-S93 PolarHBondContact O-N 3.18Å; E90-S93 PolarHBondContact O-N 3.4Å
94	F	39.4	Very low	36	Very low	171 Å²	171	121.6 Å²	121.6	75%	0.75	68%	0.678	S	S	*	*	H	α-helix	trans	-77.3	-37.4	177	-168.4	-99.3	0	0	0	111.7	E90 L91 I92	E90-F94 PolarHBondContact O-N 3.45Å; L91-F94 PolarHBondContact O-N 3.19Å; I92-F94 VanDerWaalsContact C-N 3.26Å; I92-F94 PolarHBondContact O-N 3.04Å
95	M	34.4	Very low	35.7	Very low	138 Å²	138	124.3 Å²	124.3	68%	0.68	68%	0.683	S	S	*	*	H	α-helix	trans	-73.3	-26.1	179.7	-69.4	-178.1	69.8	0	0	114.1	L91 I92 K97	L91-M95 WeakPolarHBondContact O-CG 3.36Å; L91-M95 PolarHBondContact O-N 3.36Å; L91-M95 VanDerWaalsContact O-N 3.16Å; I92-M95 PolarHBondContact O-N 2.93Å; M95-K97 VanDerWaalsContact C-N 3.3Å; M95-K97 PolarHBondContact O-N 2.94Å
96	C	31.1	Very low	34.9	Very low	103 Å²	103	129.1 Å²	129.1	70%	0.696	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	7.8	-175.2	-71	0	0	0	0	115.5	I92	I92-C96 PolarHBondContact O-N 3.15Å; I92-C96 PolarHBondContact O-SG 3.35Å
97	K	27.1	Very low	33.8	Very low	177 Å²	177	125.6 Å²	125.6	77%	0.77	69%	0.693	S	S	*	*			trans	-101.9	68.2	173.4	-69.2	-175.1	-179	178.5	0	110.9	M95	M95-K97 VanDerWaalsContact C-N 3.3Å; M95-K97 PolarHBondContact O-N 2.94Å
98	L	24.9	Very low	33.5	Very low	144 Å²	144	127.2 Å²	127.2	75%	0.754	71%	0.705	S	S	*	*			trans	-123.9	124.8	169.7	-85.2	156.7	0	0	0	108.9
99	P	26	Very low	33	Very low	120 Å²	120	130.8 Å²	130.8	78%	0.779	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-70.5	134.7	-175.9	-13.6	28	0	0	0	112.2
100	T	24.1	Very low	32.7	Very low	140 Å²	140	127.8 Å²	127.8	86%	0.859	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-83.2	119.9	175.7	49.8	0	0	0	0	110.9
101	L	22.3	Very low	32.6	Very low	170 Å²	170	129.5 Å²	129.5	89%	0.89	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-76.5	127.7	169.6	-94.2	88.3	0	0	0	111
102	S	26.3	Very low	32.6	Very low	117 Å²	117	126.5 Å²	126.5	82%	0.818	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-97.6	135.3	170.6	55.5	0	0	0	0	111.1
103	T	25	Very low	32.6	Very low	142 Å²	142	127.6 Å²	127.6	87%	0.871	70%	0.695	S	S	*	*			trans	-105.3	133	179.7	46.4	0	0	0	0	110.9
104	S	30.8	Very low	32.6	Very low	120 Å²	120	129.3 Å²	129.3	84%	0.839	69%	0.694	S	S	*	*			trans	-140.5	156.5	171	55.8	0	0	0	0	112.4
105	K	32.1	Very low	32.9	Very low	204 Å²	204	125.4 Å²	125.4	89%	0.887	68%	0.681	S	S	*	*			trans	-80	153.3	-154.7	-69.6	173.2	173.4	176.2	0	115.5
106	Q	28.9	Very low	33.4	Very low	157 Å²	157	120.4 Å²	120.4	73%	0.734	66%	0.656	S	S	*	*			trans	-91.2	139.1	-161.9	-64.6	162.8	-34	0	0	115
107	T	31.3	Very low	33.8	Very low	79 Å²	79	116.6 Å²	116.6	49%	0.485	63%	0.633	S	S	.	*			trans	-131.9	162.2	163	60	0	0	0	0	109.5	E109 D110	T107-E109 PolarHBondContact O-N 3.39Å; T107-E109 VanDerWaalsContact O-N 3.13Å; T107-D110 PolarHBondContact N-OD2 2.9Å; T107-D110 WeakPolarHBondContact O-CA 3.26Å; T107-D110 WeakPolarHBondContact O-CB 3.46Å; T107-D110 PolarHBondContact O-N 3.38Å; T107-D110 PolarHBondContact OG1-OD2 2.84Å
108	P	35	Very low	34.3	Very low	109 Å²	109	115 Å²	115	71%	0.708	63%	0.629	S	S	*	*	H	α-helix	trans	-66	-15.2	-172.9	16.1	-24.5	0	0	0	115.6	D110	P108-D110 VanDerWaalsContact C-N 3.3Å
109	E	37.6	Very low	34.9	Very low	160 Å²	160	108.6 Å²	108.6	75%	0.748	60%	0.595	S	S	*	*	H	α-helix	trans	-71.2	-28.7	168.3	-68.3	-178.5	166.7	0	0	111.4	T107 A112 E113	T107-E109 PolarHBondContact O-N 3.39Å; T107-E109 VanDerWaalsContact O-N 3.13Å; E109-A112 PolarHBondContact O-N 2.94Å; E109-E113 PolarHBondContact O-N 2.96Å
110	D	39.3	Very low	35.4	Very low	59 Å²	59	111.5 Å²	111.5	32%	0.316	59%	0.59	S	S	.	*	H	α-helix	trans	-73.1	-27.3	178.1	-54.3	-51.5	0	0	0	112.4	T107 P108 E113 E114	T107-D110 PolarHBondContact N-OD2 2.9Å; T107-D110 WeakPolarHBondContact O-CA 3.26Å; T107-D110 WeakPolarHBondContact O-CB 3.46Å; T107-D110 PolarHBondContact O-N 3.38Å; T107-D110 PolarHBondContact OG1-OD2 2.84Å; P108-D110 VanDerWaalsContact C-N 3.3Å; D110-E113 CarbonylContact O-C 3.47Å; D110-E113 PolarHBondContact O-N 3.43Å; D110-E114 WeakPolarHBondContact O-CB 3.41Å; D110-E114 PolarHBondContact O-N 3.42Å
111	E	41.6	Very low	35.7	Very low	136 Å²	136	111.6 Å²	111.6	64%	0.636	59%	0.586	S	S	*	*	H	α-helix	trans	-70.4	-35	176.4	-72	-175.7	174.4	0	0	112.1	L115	E111-L115 WeakPolarHBondContact O-CB 3.44Å; E111-L115 PolarHBondContact O-N 3.42Å; E111-L115 VanDerWaalsContact O-N 3.09Å
112	A	43.6	Very low	36.1	Very low	30 Å²	30	108.2 Å²	108.2	25%	0.248	58%	0.575	C	S	.	*	H	α-helix	trans	-72.9	-39.4	171.5	0	0	0	0	0	110.7	E109 E114 F116	E109-A112 PolarHBondContact O-N 2.94Å; A112-E114 VanDerWaalsContact C-N 3.33Å; A112-F116 WeakPolarHBondContact O-CB 3.37Å; A112-F116 VanDerWaalsContact O-CD2 3.28Å; A112-F116 WeakPolarHBondContact O-CD2 3.48Å; A112-F116 PolarHBondContact O-N 3.07Å
113	E	42.3	Very low	36.5	Very low	123 Å²	123	104.7 Å²	104.7	58%	0.575	55%	0.545	S	S	*	.	H	α-helix	trans	-71.2	-19	172.8	-81.5	-159.9	151.5	0	0	114.2	E109 D110 G117	E109-E113 PolarHBondContact O-N 2.96Å; D110-E113 CarbonylContact O-C 3.47Å; D110-E113 PolarHBondContact O-N 3.43Å; E113-G117 WeakPolarHBondContact O-CA 3.37Å; E113-G117 PolarHBondContact O-N 3.2Å
114	E	42.2	Very low	36.5	Very low	116 Å²	116	105 Å²	105	54%	0.542	54%	0.542	S	S	.	.	H	α-helix	trans	-83.1	-47.2	173.6	-169.9	172.5	-161.2	0	0	109.5	D110 A112 F116 G117 E118	D110-E114 WeakPolarHBondContact O-CB 3.41Å; D110-E114 PolarHBondContact O-N 3.42Å; A112-E114 VanDerWaalsContact C-N 3.33Å; E114-F116 VanDerWaalsContact C-N 3.25Å; E114-F116 PolarHBondContact O-N 2.92Å; E114-G117 PolarHBondContact O-N 3.36Å; E114-E118 PolarHBondContact O-N 2.89Å
115	L	44.6	Very low	36.5	Very low	89 Å²	89	101.8 Å²	101.8	47%	0.466	52%	0.517	S	S	.	.	H	α-helix	trans	-60.6	-33.6	174.5	-168.1	75.1	0	0	0	112.5	E111 I119	E111-L115 WeakPolarHBondContact O-CB 3.44Å; E111-L115 PolarHBondContact O-N 3.42Å; E111-L115 VanDerWaalsContact O-N 3.09Å; L115-I119 VanDerWaalsContact O-CD1 3.26Å; L115-I119 WeakPolarHBondContact O-CD1 3.17Å; L115-I119 WeakPolarHBondContact O-CG1 3.45Å
116	F	45.9	Very low	36.2	Very low	34 Å²	34	95.8 Å²	95.8	15%	0.149	50%	0.5	C	S	.	.	H	α-helix	trans	-103.3	-7.5	175.2	-70.1	-78.5	0	0	0	114.4	A112 E114 I119 R120 P291 L292 L324	A112-F116 WeakPolarHBondContact O-CB 3.37Å; A112-F116 VanDerWaalsContact O-CD2 3.28Å; A112-F116 WeakPolarHBondContact O-CD2 3.48Å; A112-F116 PolarHBondContact O-N 3.07Å; E114-F116 VanDerWaalsContact C-N 3.25Å; E114-F116 PolarHBondContact O-N 2.92Å; F116-I119 HydrophobicContact CD1-CD1 3.57Å; F116-I119 HydrophobicContact CE1-CD1 4.01Å; F116-I119 HydrophobicContact CG-CD1 4.33Å; F116-I119 CarbonylContact O-C 3.59Å; F116-I119 WeakPolarHBondContact O-CA 3.35Å; F116-I119 VanDerWaalsContact O-CB 3.27Å; F116-I119 WeakPolarHBondContact O-CB 3.29Å; F116-I119 PolarHBondContact O-N 2.79Å; F116-R120 WeakPolarHBondContact O-CB 3.38Å; F116-R120 PolarHBondContact O-N 3.05Å; F116-P291 HydrophobicContact CD1-CB 3.54Å; F116-P291 HydrophobicContact CD1-CG 4.15Å; F116-P291 HydrophobicContact CE1-CB 3.4Å; F116-P291 VanDerWaalsContact CE1-CB 3.4Å; F116-P291 HydrophobicContact CE1-CG 4.46Å; F116-P291 HydrophobicContact CG-CB 4.49Å; F116-P291 HydrophobicContact CZ-CB 4.26Å; F116-L292 HydrophobicContact CE2-CD2 3.98Å; F116-L292 HydrophobicContact CZ-CD2 4.24Å; F116-L324 HydrophobicContact CE2-CD1 3.7Å; F116-L324 HydrophobicContact CZ-CD1 4.44Å
117	G	38.6	Very low	36.2	Very low	22 Å²	22	90.5 Å²	90.5	23%	0.227	48%	0.479	C	S	.	.	H	α-helix	trans	-81	-40	178.1	0	0	0	0	0	111.4	E113 E114 I119 R120 D121	E113-G117 WeakPolarHBondContact O-CA 3.37Å; E113-G117 PolarHBondContact O-N 3.2Å; E114-G117 PolarHBondContact O-N 3.36Å; G117-I119 PolarHBondContact O-N 2.83Å; G117-R120 PolarHBondContact O-N 3.13Å; G117-D121 PolarHBondContact O-N 2.85Å
118	E	37.8	Very low	36	Very low	144 Å²	144	87.5 Å²	87.5	67%	0.673	46%	0.464	S	S	*	.	H	α-helix	trans	-56.4	-31.5	163.6	-69.2	-172.8	163.8	0	0	111.2	E114 C122	E114-E118 PolarHBondContact O-N 2.89Å; E118-C122 PolarHBondContact O-SG 3.15Å
119	I	38	Very low	35.5	Very low	10 Å²	10	87.5 Å²	87.5	5%	0.051	46%	0.464	C	S	.	.	H	α-helix	trans	-74.8	-36.2	175.8	-66	176.5	0	0	0	111.2	L115 F116 G117 F123 G627	L115-I119 VanDerWaalsContact O-CD1 3.26Å; L115-I119 WeakPolarHBondContact O-CD1 3.17Å; L115-I119 WeakPolarHBondContact O-CG1 3.45Å; F116-I119 HydrophobicContact CD1-CD1 3.57Å; F116-I119 HydrophobicContact CE1-CD1 4.01Å; F116-I119 HydrophobicContact CG-CD1 4.33Å; F116-I119 CarbonylContact O-C 3.59Å; F116-I119 WeakPolarHBondContact O-CA 3.35Å; F116-I119 VanDerWaalsContact O-CB 3.27Å; F116-I119 WeakPolarHBondContact O-CB 3.29Å; F116-I119 PolarHBondContact O-N 2.79Å; G117-I119 PolarHBondContact O-N 2.83Å; I119-F123 HydrophobicContact CG2-CD2 3.88Å; I119-F123 HydrophobicContact CG2-CE2 3.17Å; I119-F123 HydrophobicContact CG2-CZ 3.91Å; I119-F123 WeakPolarHBondContact O-CD2 3.31Å; I119-F123 WeakPolarHBondContact O-CE2 3.23Å; I119-F123 WeakPolarHBondContact O-CG 3.25Å; I119-G627 WeakPolarHBondContact CD1-O 3.42Å; I119-G627 WeakPolarHBondContact CG1-O 3.44Å
120	R	35.5	Very low	35.1	Very low	180 Å²	180	82.3 Å²	82.3	68%	0.679	44%	0.444	S	S	*	.	H	α-helix	trans	-77.2	-39.4	-175.8	-154.3	172.5	170.1	-173.4	-8.1	112.8	F116 G117 C122 F123	F116-R120 WeakPolarHBondContact O-CB 3.38Å; F116-R120 PolarHBondContact O-N 3.05Å; G117-R120 PolarHBondContact O-N 3.13Å; R120-C122 VanDerWaalsContact C-N 3.26Å; R120-C122 PolarHBondContact O-N 2.68Å; R120-F123 PolarHBondContact O-N 3.5Å
121	D	31.7	Very low	34.6	Very low	143 Å²	143	84.9 Å²	84.9	77%	0.765	47%	0.467	S	S	*	.	H	α-helix	trans	-69.8	-23.5	178	-74.4	-13.2	0	0	0	112.6	G117	G117-D121 PolarHBondContact O-N 2.85Å
122	C	31.2	Very low	34.5	Very low	98 Å²	98	81.5 Å²	81.5	66%	0.662	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-14.5	173.4	-67.5	0	0	0	0	114.1	E118 R120	E118-C122 PolarHBondContact O-SG 3.15Å; R120-C122 VanDerWaalsContact C-N 3.26Å; R120-C122 PolarHBondContact O-N 2.68Å
123	F	33.1	Very low	34	Very low	43 Å²	43	83.9 Å²	83.9	19%	0.189	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-6	-175.2	-81	-49.6	0	0	0	114.8	I119 R120 V125 R288 L625	I119-F123 HydrophobicContact CG2-CD2 3.88Å; I119-F123 HydrophobicContact CG2-CE2 3.17Å; I119-F123 HydrophobicContact CG2-CZ 3.91Å; I119-F123 WeakPolarHBondContact O-CD2 3.31Å; I119-F123 WeakPolarHBondContact O-CE2 3.23Å; I119-F123 WeakPolarHBondContact O-CG 3.25Å; R120-F123 PolarHBondContact O-N 3.5Å; F123-V125 PolarHBondContact O-N 3.36Å; F123-R288 HydrophobicContact CD1-CG 4.08Å; F123-R288 HydrophobicContact CE1-CG 3.53Å; F123-R288 HydrophobicContact CZ-CG 3.83Å; F123-L625 VanDerWaalsContact CE1-O 3.25Å; F123-L625 WeakPolarHBondContact CE1-O 3.41Å
124	D	25.6	Very low	34	Very low	150 Å²	150	79.1 Å²	79.1	80%	0.802	45%	0.445	S	S	*	.			trans	-82.1	32.6	-179.3	-124.5	5.2	0	0	0	113.7	S126	D124-S126 PolarHBondContact O-N 3.39Å; D124-S126 VanDerWaalsContact O-N 3.08Å
125	V	30.2	Very low	33.8	Very low	51 Å²	51	81.8 Å²	81.8	31%	0.309	46%	0.457	S	S	.	.			trans	-71.6	103.8	154.5	-179.9	0	0	0	0	105.9	F123 V127	F123-V125 PolarHBondContact O-N 3.36Å; V125-V127 HydrophobicContact CG1-CG2 4.31Å; V125-V127 PolarHBondContact O-N 3.23Å
126	S	26	Very low	33.4	Very low	78 Å²	78	85.4 Å²	85.4	55%	0.545	47%	0.474	S	S	.	.			trans	-58.9	71	169.2	54.3	0	0	0	0	111.4	D124 G128	D124-S126 PolarHBondContact O-N 3.39Å; D124-S126 VanDerWaalsContact O-N 3.08Å; S126-G128 PolarHBondContact O-N 3.1Å
127	V	30.2	Very low	33.3	Very low	47 Å²	47	86.3 Å²	86.3	29%	0.285	48%	0.48	S	S	.	.			trans	-64.8	88.6	148.4	-171.3	0	0	0	0	103.3	V125	V125-V127 HydrophobicContact CG1-CG2 4.31Å; V125-V127 PolarHBondContact O-N 3.23Å
128	G	25.5	Very low	33.6	Very low	16 Å²	16	87.3 Å²	87.3	17%	0.165	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.8	142.1	-174.6	0	0	0	0	0	109	S126 C130 R847	S126-G128 PolarHBondContact O-N 3.1Å; G128-C130 PolarHBondContact O-N 3.27Å; G128-R847 VanDerWaalsContact C-NH2 3.31Å
129	P	24.7	Very low	34	Very low	109 Å²	109	83 Å²	83	71%	0.708	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39.5	105.1	-155.8	16.3	-32.2	0	0	0	109.3	S131	P129-S131 VanDerWaalsContact C-N 3.32Å; P129-S131 PolarHBondContact O-N 3.37Å
130	C	29.6	Very low	34.5	Very low	50 Å²	50	91.4 Å²	91.4	34%	0.338	50%	0.499	S	S	.	.			trans	-51.9	117.6	155.5	-105	0	0	0	0	102.2	G128 D132	G128-C130 PolarHBondContact O-N 3.27Å; C130-D132 HydrophobicContact CB-CB 4.1Å; C130-D132 PolarHBondContact O-N 2.85Å
131	S	28.8	Very low	35.7	Very low	114 Å²	114	89.9 Å²	89.9	80%	0.797	50%	0.5	S	S	*	.			trans	-65.9	56.7	165.4	45.1	0	0	0	0	108	P129 P133	P129-S131 VanDerWaalsContact C-N 3.32Å; P129-S131 PolarHBondContact O-N 3.37Å; S131-P133 VanDerWaalsContact O-CD 3.29Å; S131-P133 WeakPolarHBondContact O-CD 3.43Å
132	D	39	Very low	37.7	Very low	65 Å²	65	86.7 Å²	86.7	35%	0.348	49%	0.489	S	S	.	.			trans	-84.1	113.4	178.8	-156.4	-22.8	0	0	0	106	C130 D134 R265	C130-D132 HydrophobicContact CB-CB 4.1Å; C130-D132 PolarHBondContact O-N 2.85Å; D132-D134 HydrophobicContact CB-CB 4.45Å; D132-D134 PolarHBondContact O-N 2.94Å; D132-D134 PolarHBondContact OD1-N 3.02Å; D132-R265 IonicContact OD1-NH1 2.95Å
133	P	34.4	Very low	40.3	Very low	79 Å²	79	83.4 Å²	83.4	51%	0.513	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-64.9	3.1	177.1	-14.2	28.5	0	0	0	113.2	S131 Q135 M136 R265	S131-P133 VanDerWaalsContact O-CD 3.29Å; S131-P133 WeakPolarHBondContact O-CD 3.43Å; P133-Q135 PolarHBondContact O-N 3.4Å; P133-M136 PolarHBondContact O-N 3.01Å; P133-M136 VanDerWaalsContact O-N 3.11Å; P133-R265 VanDerWaalsContact CG-NH2 3.3Å
134	D	42.5	Very low	42.9	Very low	23 Å²	23	84.6 Å²	84.6	12%	0.123	48%	0.482	C	S	.	.	G	3₁₀ helix	trans	-54.5	-25.3	170.6	-84.1	3.3	0	0	0	113.2	D132 M136 L137 L138 R265 Y267	D132-D134 HydrophobicContact CB-CB 4.45Å; D132-D134 PolarHBondContact O-N 2.94Å; D132-D134 PolarHBondContact OD1-N 3.02Å; D134-M136 PolarHBondContact O-N 2.79Å; D134-L137 PolarHBondContact O-N 3.29Å; D134-L138 HydrophobicContact CB-CD1 4.46Å; D134-L138 PolarHBondContact O-N 3.11Å; D134-L138 VanDerWaalsContact O-N 3.15Å; D134-R265 IonicContact OD1-CZ 2.68Å; D134-R265 IonicContact OD1-NH1 3.45Å; D134-R265 PolarHBondContact OD1-NH1 3.1Å; D134-Y267 PolarHBondContact OD1-OH 3.03Å
135	Q	37.6	Very low	46.1	Very low	172 Å²	172	85.2 Å²	85.2	80%	0.804	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-63.9	-22.1	175.5	-80.4	-172.7	3.1	0	0	114.2	P133 L137	P133-Q135 PolarHBondContact O-N 3.4Å; Q135-L137 VanDerWaalsContact C-N 3.25Å; Q135-L137 PolarHBondContact O-N 2.99Å
136	M	35.8	Very low	49.2	Very low	166 Å²	166	85.6 Å²	85.6	82%	0.818	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-72.5	-18	-174.4	-147.1	-177	166	0	0	113	P133 D134	P133-M136 PolarHBondContact O-N 3.01Å; P133-M136 VanDerWaalsContact O-N 3.11Å; D134-M136 PolarHBondContact O-N 2.79Å
137	L	43.1	Very low	52.5	Low	53 Å²	53	86.3 Å²	86.3	28%	0.277	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.6	-1.4	-174.8	-88.2	161.3	0	0	0	116.2	D134 Q135 T139 R227 P271	D134-L137 PolarHBondContact O-N 3.29Å; Q135-L137 VanDerWaalsContact C-N 3.25Å; Q135-L137 PolarHBondContact O-N 2.99Å; L137-T139 PolarHBondContact O-N 3.44Å; L137-R227 PolarHBondContact O-NH1 2.96Å; L137-P271 HydrophobicContact CD2-CB 3.54Å; L137-P271 HydrophobicContact CD2-CG 4.13Å
138	L	45.1	Very low	55.6	Low	42 Å²	42	90.2 Å²	90.2	22%	0.22	50%	0.496	C	S	.	.			trans	-81.1	57	147.4	-67.3	172.7	0	0	0	107.8	D134 K140	D134-L138 HydrophobicContact CB-CD1 4.46Å; D134-L138 PolarHBondContact O-N 3.11Å; D134-L138 VanDerWaalsContact O-N 3.15Å; L138-K140 PolarHBondContact O-N 3.06Å
139	T	46.1	Very low	58.8	Low	53 Å²	53	91.9 Å²	91.9	33%	0.325	50%	0.5	S	S	.	.			trans	-51.7	116.1	166.6	45.8	0	0	0	0	105.7	L137 E141 N295	L137-T139 PolarHBondContact O-N 3.44Å; T139-E141 PolarHBondContact O-N 3.05Å; T139-N295 PolarHBondContact O-ND2 2.92Å; T139-N295 PolarHBondContact O-OD1 3.09Å
140	K	49.3	Very low	62.3	Low	188 Å²	188	87.1 Å²	87.1	82%	0.817	47%	0.469	S	S	*	.	S	Bend	trans	-59.4	-4.4	179.3	-71.8	-179.1	175.2	179.3	0	113.2	L138 S142	L138-K140 PolarHBondContact O-N 3.06Å; K140-S142 PolarHBondContact O-N 3.35Å
141	E	60.9	Low	65.5	Low	148 Å²	148	90.4 Å²	90.4	69%	0.692	48%	0.479	S	S	*	.	S	Bend	trans	-68.3	115.7	174	-59.8	179.5	174.5	0	0	111.9	T139 N295	T139-E141 PolarHBondContact O-N 3.05Å; E141-N295 PolarHBondContact O-OD1 3.07Å
142	S	73.5	Confident	68.7	Low	75 Å²	75	91.4 Å²	91.4	52%	0.524	47%	0.471	S	S	.	.			trans	-49.1	148.9	169.9	-172.1	0	0	0	0	111.8	K140 A144	K140-S142 PolarHBondContact O-N 3.35Å; S142-A144 PolarHBondContact O-N 3.3Å
143	L	84.4	Confident	71.4	Confident	30 Å²	30	88.8 Å²	88.8	16%	0.157	46%	0.457	C	S	.	.			trans	-55.2	116.7	171.1	-70.7	169.3	0	0	0	109.8	V225 N295	L143-V225 HydrophobicContact CB-CB 4.39Å; L143-V225 HydrophobicContact CB-CG1 4.46Å; L143-V225 WeakPolarHBondContact CD1-O 3.46Å; L143-N295 WeakPolarHBondContact CD1-O 3.43Å
144	A	89.4	Confident	74.4	Confident	67 Å²	67	85.6 Å²	85.6	55%	0.554	44%	0.436	S	S	*	.			trans	-117.4	143.4	178.7	0	0	0	0	0	110.6	S142 N146 S224	S142-A144 PolarHBondContact O-N 3.3Å; A144-N146 PolarHBondContact O-N 3.27Å; A144-S224 PolarHBondContact O-OG 3.17Å
145	R	92.5	Very high	77	Confident	164 Å²	164	88.1 Å²	88.1	62%	0.619	45%	0.45	S	S	*	.			trans	-71.3	128.7	177.8	-164.2	176.5	-172.5	-178.7	6.5	110.2	D150 G221 S224 V225	R145-D150 IonicContact NE-OD2 3.56Å; R145-G221 PolarHBondContact NE-O 3.19Å; R145-G221 PolarHBondContact NH2-O 3.48Å; R145-S224 VanDerWaalsContact CA-OG 3.3Å; R145-S224 WeakPolarHBondContact CA-OG 3.37Å; R145-V225 HydrophobicContact CB-CG1 4.09Å
146	N	94.4	Very high	79.7	Confident	58 Å²	58	82.1 Å²	82.1	31%	0.31	43%	0.426	S	S	.	.			trans	-134.1	104.8	177.7	-176.6	-34	0	0	0	108.8	A144 D148 I149 D150 S224	A144-N146 PolarHBondContact O-N 3.27Å; N146-D148 VanDerWaalsContact C-N 3.26Å; N146-D148 PolarHBondContact O-N 3.05Å; N146-D148 WeakPolarHBondContact OD1-CB 3.42Å; N146-D148 PolarHBondContact OD1-N 3.03Å; N146-I149 HydrophobicContact CB-CB 4.1Å; N146-I149 HydrophobicContact CB-CD1 3.92Å; N146-I149 HydrophobicContact CB-CG1 4.09Å; N146-I149 PolarHBondContact O-N 3.26Å; N146-I149 PolarHBondContact OD1-N 2.95Å; N146-D150 VanDerWaalsContact O-CG 3.32Å; N146-D150 PolarHBondContact O-N 3.16Å; N146-S224 PolarHBondContact N-OG 3.48Å
147	P	95.2	Very high	82.5	Confident	93 Å²	93	74.2 Å²	74.2	60%	0.604	39%	0.388	S	S	*	.	H	α-helix	trans	-57.7	-32.7	-177.3	-26.9	35.6	0	0	0	114.7	D150 H151	P147-D150 PolarHBondContact O-N 3.19Å; P147-H151 WeakPolarHBondContact O-CB 3.17Å; P147-H151 PolarHBondContact O-N 3.37Å
148	D	95.9	Very high	85	Confident	130 Å²	130	78.2 Å²	78.2	70%	0.695	40%	0.399	S	S	*	.	H	α-helix	trans	-69.8	-45.6	-179.9	-61.6	-38.2	0	0	0	110.5	N146 D150 H151 E152	N146-D148 VanDerWaalsContact C-N 3.26Å; N146-D148 PolarHBondContact O-N 3.05Å; N146-D148 WeakPolarHBondContact OD1-CB 3.42Å; N146-D148 PolarHBondContact OD1-N 3.03Å; D148-D150 VanDerWaalsContact C-N 3.35Å; D148-H151 PolarHBondContact O-N 3.28Å; D148-E152 PolarHBondContact O-N 3.36Å
149	I	93.5	Very high	87.4	Confident	51 Å²	51	81.4 Å²	81.4	26%	0.262	42%	0.416	S	S	.	.	H	α-helix	trans	-63.8	-42.3	174.2	-62.8	177.7	0	0	0	110.1	N146 H151 E152 L153	N146-I149 HydrophobicContact CB-CB 4.1Å; N146-I149 HydrophobicContact CB-CD1 3.92Å; N146-I149 HydrophobicContact CB-CG1 4.09Å; N146-I149 PolarHBondContact O-N 3.26Å; N146-I149 PolarHBondContact OD1-N 2.95Å; I149-H151 VanDerWaalsContact C-N 3.32Å; I149-H151 PolarHBondContact O-N 3.03Å; I149-E152 PolarHBondContact O-N 3.21Å; I149-L153 HydrophobicContact CG2-CD1 3.68Å; I149-L153 HydrophobicContact CG2-CG 4.1Å; I149-L153 WeakPolarHBondContact O-CB 3.35Å; I149-L153 WeakPolarHBondContact O-CG 3.32Å; I149-L153 PolarHBondContact O-N 3.03Å
150	D	97.1	Very high	89.6	Confident	8 Å²	8	79.5 Å²	79.5	4%	0.043	41%	0.405	C	S	.	.	H	α-helix	trans	-59.4	-43.7	176.9	-74.2	-37	0	0	0	111.6	R145 N146 P147 D148 C154 G221 G223 S224	R145-D150 IonicContact NE-OD2 3.56Å; N146-D150 VanDerWaalsContact O-CG 3.32Å; N146-D150 PolarHBondContact O-N 3.16Å; P147-D150 PolarHBondContact O-N 3.19Å; D148-D150 VanDerWaalsContact C-N 3.35Å; D150-C154 VanDerWaalsContact O-CB 3.24Å; D150-C154 WeakPolarHBondContact O-CB 3.45Å; D150-C154 PolarHBondContact O-N 2.81Å; D150-G221 VanDerWaalsContact OD2-O 3.14Å; D150-G223 WeakPolarHBondContact OD1-CA 3.44Å; D150-G223 PolarHBondContact OD1-N 3.45Å; D150-S224 PolarHBondContact OD1-N 2.88Å
151	H	96.9	Very high	91.7	Very high	120 Å²	120	73.3 Å²	73.3	56%	0.556	38%	0.379	S	S	*	.	H	α-helix	trans	-64.1	-47	177.5	-170.4	69.3	0	0	0	111.8	P147 D148 I149 L153 C154 L155	P147-H151 WeakPolarHBondContact O-CB 3.17Å; P147-H151 PolarHBondContact O-N 3.37Å; D148-H151 PolarHBondContact O-N 3.28Å; I149-H151 VanDerWaalsContact C-N 3.32Å; I149-H151 PolarHBondContact O-N 3.03Å; H151-L153 PolarHBondContact O-N 3.14Å; H151-C154 PolarHBondContact O-N 2.9Å; H151-L155 WeakPolarHBondContact O-CG 3.16Å; H151-L155 PolarHBondContact O-N 3.25Å
152	E	96	Very high	93.3	Very high	135 Å²	135	69.8 Å²	69.8	63%	0.631	37%	0.371	S	S	*	.	H	α-helix	trans	-59.8	-47	177	-171	-168	157.7	0	0	111.7	D148 I149 C154 L155 S156	D148-E152 PolarHBondContact O-N 3.36Å; I149-E152 PolarHBondContact O-N 3.21Å; E152-C154 VanDerWaalsContact C-N 3.32Å; E152-C154 PolarHBondContact O-N 3.4Å; E152-L155 PolarHBondContact O-N 2.7Å; E152-S156 VanDerWaalsContact O-CB 3.28Å; E152-S156 WeakPolarHBondContact O-CB 3.46Å; E152-S156 PolarHBondContact O-N 3.37Å
153	L	96.2	Very high	94.3	Very high	9 Å²	9	68 Å²	68	5%	0.047	36%	0.359	C	S	.	.	H	α-helix	trans	-64	-37.8	178.8	-70.7	174.7	0	0	0	111.8	I149 H151 S156 M157 V218 H272	I149-L153 HydrophobicContact CG2-CD1 3.68Å; I149-L153 HydrophobicContact CG2-CG 4.1Å; I149-L153 WeakPolarHBondContact O-CB 3.35Å; I149-L153 WeakPolarHBondContact O-CG 3.32Å; I149-L153 PolarHBondContact O-N 3.03Å; H151-L153 PolarHBondContact O-N 3.14Å; L153-S156 PolarHBondContact O-N 3.09Å; L153-M157 WeakPolarHBondContact O-CB 3.42Å; L153-M157 PolarHBondContact O-N 3.3Å; L153-V218 HydrophobicContact CB-CG1 3.92Å; L153-V218 WeakPolarHBondContact O-CG1 3.13Å; L153-H272 HydrophobicContact CD1-CB 4.39Å
154	C	97.1	Very high	94.8	Very high	13 Å²	13	70.3 Å²	70.3	9%	0.088	38%	0.382	C	S	.	.	H	α-helix	trans	-65.7	-45.2	177.1	-170.3	0	0	0	0	111.6	D150 H151 E152 M157 R158	D150-C154 VanDerWaalsContact O-CB 3.24Å; D150-C154 WeakPolarHBondContact O-CB 3.45Å; D150-C154 PolarHBondContact O-N 2.81Å; H151-C154 PolarHBondContact O-N 2.9Å; E152-C154 VanDerWaalsContact C-N 3.32Å; E152-C154 PolarHBondContact O-N 3.4Å; C154-M157 PolarHBondContact O-N 3.12Å; C154-R158 WeakPolarHBondContact O-CG 3.33Å; C154-R158 PolarHBondContact O-N 3.07Å; C154-R158 PolarHBondContact SG-NH1 2.82Å; C154-R158 VanDerWaalsContact SG-NH1 3.45Å
155	L	96.3	Very high	95	Very high	76 Å²	76	69.5 Å²	69.5	40%	0.398	38%	0.375	S	S	.	.	H	α-helix	trans	-62	-46.1	173.4	-70.6	176.6	0	0	0	111.7	H151 E152 M157 R158 N159	H151-L155 WeakPolarHBondContact O-CG 3.16Å; H151-L155 PolarHBondContact O-N 3.25Å; E152-L155 PolarHBondContact O-N 2.7Å; L155-M157 VanDerWaalsContact C-N 3.31Å; L155-M157 PolarHBondContact O-N 2.97Å; L155-R158 PolarHBondContact O-N 2.91Å; L155-N159 WeakPolarHBondContact O-CB 3.41Å; L155-N159 VanDerWaalsContact O-CG 3.29Å; L155-N159 PolarHBondContact O-N 3.46Å; L155-N159 PolarHBondContact O-ND2 3.16Å
156	S	94	Very high	95.1	Very high	45 Å²	45	62.1 Å²	62.1	32%	0.315	35%	0.347	S	S	.	.	H	α-helix	trans	-57.2	-43.1	175.5	179.8	0	0	0	0	111.8	E152 L153 C160 R270	E152-S156 VanDerWaalsContact O-CB 3.28Å; E152-S156 WeakPolarHBondContact O-CB 3.46Å; E152-S156 PolarHBondContact O-N 3.37Å; L153-S156 PolarHBondContact O-N 3.09Å; S156-C160 VanDerWaalsContact O-CB 3.24Å; S156-C160 WeakPolarHBondContact O-CB 3.26Å; S156-C160 PolarHBondContact O-N 3Å; S156-R270 PolarHBondContact OG-NH1 3.41Å
157	M	95.4	Very high	95.1	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-64.2	-47.1	177.3	-172	66.5	76.2	0	0	111.6	L153 C154 L155 N159 C160 M161 L214 E215 V218 L219 R249	L153-M157 WeakPolarHBondContact O-CB 3.42Å; L153-M157 PolarHBondContact O-N 3.3Å; C154-M157 PolarHBondContact O-N 3.12Å; L155-M157 VanDerWaalsContact C-N 3.31Å; L155-M157 PolarHBondContact O-N 2.97Å; M157-N159 PolarHBondContact O-N 3.34Å; M157-C160 WeakPolarHBondContact O-CB 3.43Å; M157-C160 PolarHBondContact O-N 2.77Å; M157-M161 HydrophobicContact CG-CG 4.47Å; M157-M161 HydrophobicContact CG-SD 3.96Å; M157-M161 VanDerWaalsContact O-CG 3.25Å; M157-M161 WeakPolarHBondContact O-CG 3.47Å; M157-M161 PolarHBondContact O-N 2.91Å; M157-M161 HydrophobicContact SD-SD 4.47Å; M157-L214 HydrophobicContact CE-CD2 4.2Å; M157-L214 HydrophobicContact CE-CG 3.95Å; M157-E215 HydrophobicContact SD-CG 4.27Å; M157-V218 HydrophobicContact CB-CG1 3.78Å; M157-V218 HydrophobicContact CE-CB 3.8Å; M157-V218 HydrophobicContact CE-CG1 3.96Å; M157-V218 HydrophobicContact CE-CG2 3.9Å; M157-V218 HydrophobicContact CG-CG1 4.28Å; M157-L219 HydrophobicContact CG-CD2 4.21Å; M157-L219 HydrophobicContact CG-CG 4.38Å; M157-R249 PolarHBondContact SD-NH2 3.4Å
158	R	96.2	Very high	94.9	Very high	137 Å²	137	67.5 Å²	67.5	52%	0.517	36%	0.361	S	S	.	.	H	α-helix	trans	-61.4	-43.8	178.2	-72	-178.4	-178.1	129	2.1	112.1	C154 L155 C160 M161 S162 L219	C154-R158 WeakPolarHBondContact O-CG 3.33Å; C154-R158 PolarHBondContact O-N 3.07Å; C154-R158 PolarHBondContact SG-NH1 2.82Å; C154-R158 VanDerWaalsContact SG-NH1 3.45Å; L155-R158 PolarHBondContact O-N 2.91Å; R158-C160 VanDerWaalsContact C-N 3.33Å; R158-C160 PolarHBondContact O-N 3.39Å; R158-M161 PolarHBondContact O-N 3.34Å; R158-S162 PolarHBondContact O-N 3.48Å; R158-S162 PolarHBondContact O-OG 2.83Å; R158-L219 HydrophobicContact CG-CD2 4.19Å
159	N	94.5	Very high	94.7	Very high	109 Å²	109	63.1 Å²	63.1	58%	0.583	34%	0.337	S	S	*	.	H	α-helix	trans	-63.9	-38.8	176	-70.3	-15.9	0	0	0	112.3	L155 M157 S162 S163	L155-N159 WeakPolarHBondContact O-CB 3.41Å; L155-N159 VanDerWaalsContact O-CG 3.29Å; L155-N159 PolarHBondContact O-N 3.46Å; L155-N159 PolarHBondContact O-ND2 3.16Å; M157-N159 PolarHBondContact O-N 3.34Å; N159-S162 WeakPolarHBondContact CA-OG 3.35Å; N159-S162 PolarHBondContact O-N 2.88Å; N159-S162 PolarHBondContact O-OG 3.47Å; N159-S162 VanDerWaalsContact O-OG 3.1Å; N159-S163 PolarHBondContact O-N 2.84Å
160	C	93	Very high	94.6	Very high	12 Å²	12	62.1 Å²	62.1	8%	0.081	34%	0.335	C	S	.	.	H	α-helix	trans	-61.7	-47.9	174.6	-174.8	0	0	0	0	110.8	S156 M157 R158 S162 S163 Y166 R249 Q251	S156-C160 VanDerWaalsContact O-CB 3.24Å; S156-C160 WeakPolarHBondContact O-CB 3.26Å; S156-C160 PolarHBondContact O-N 3Å; M157-C160 WeakPolarHBondContact O-CB 3.43Å; M157-C160 PolarHBondContact O-N 2.77Å; R158-C160 VanDerWaalsContact C-N 3.33Å; R158-C160 PolarHBondContact O-N 3.39Å; C160-S162 VanDerWaalsContact C-N 3.31Å; C160-S162 PolarHBondContact O-N 3.05Å; C160-S163 WeakPolarHBondContact O-CB 3.49Å; C160-S163 PolarHBondContact O-N 2.8Å; C160-S163 PolarHBondContact O-OG 3.37Å; C160-Y166 WeakPolarHBondContact O-CB 3.29Å; C160-R249 PolarHBondContact SG-O 3.17Å; C160-Q251 PolarHBondContact SG-NE2 2.72Å
161	M	94	Very high	94.1	Very high	58 Å²	58	68.5 Å²	68.5	29%	0.286	36%	0.364	S	S	.	.	H	α-helix	trans	-67.2	-28.7	-178.4	-67.9	177.1	73.8	0	0	113.2	M157 R158 Y166 L219	M157-M161 HydrophobicContact CG-CG 4.47Å; M157-M161 HydrophobicContact CG-SD 3.96Å; M157-M161 VanDerWaalsContact O-CG 3.25Å; M157-M161 WeakPolarHBondContact O-CG 3.47Å; M157-M161 PolarHBondContact O-N 2.91Å; M157-M161 HydrophobicContact SD-SD 4.47Å; R158-M161 PolarHBondContact O-N 3.34Å; M161-Y166 HydrophobicContact CB-CD1 4.31Å; M161-Y166 HydrophobicContact CB-CE1 4.07Å; M161-Y166 HydrophobicContact CG-CE1 3.98Å; M161-Y166 HydrophobicContact CG-CE2 3.98Å; M161-Y166 WeakPolarHBondContact O-CD1 3.31Å; M161-L219 HydrophobicContact SD-CD1 4.39Å
162	S	94.2	Very high	93.6	Very high	75 Å²	75	65 Å²	65	52%	0.524	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-4.5	175.4	64.6	0	0	0	0	114.1	R158 N159 C160 M167	R158-S162 PolarHBondContact O-N 3.48Å; R158-S162 PolarHBondContact O-OG 2.83Å; N159-S162 WeakPolarHBondContact CA-OG 3.35Å; N159-S162 PolarHBondContact O-N 2.88Å; N159-S162 PolarHBondContact O-OG 3.47Å; N159-S162 VanDerWaalsContact O-OG 3.1Å; C160-S162 VanDerWaalsContact C-N 3.31Å; C160-S162 PolarHBondContact O-N 3.05Å; S162-M167 WeakPolarHBondContact O-CE 2.95Å
163	S	94.6	Very high	93.4	Very high	37 Å²	37	58.7 Å²	58.7	26%	0.259	32%	0.324	S	S	.	.	S	Bend	trans	-69.8	144.9	178.7	75	0	0	0	0	112	N159 C160 A165 Y166 M167	N159-S163 PolarHBondContact O-N 2.84Å; C160-S163 WeakPolarHBondContact O-CB 3.49Å; C160-S163 PolarHBondContact O-N 2.8Å; C160-S163 PolarHBondContact O-OG 3.37Å; S163-A165 PolarHBondContact O-N 3.19Å; S163-Y166 PolarHBondContact O-N 3.19Å; S163-Y166 VanDerWaalsContact O-N 3.16Å; S163-Y166 VanDerWaalsContact OG-CB 3.27Å; S163-Y166 WeakPolarHBondContact OG-CB 3.39Å; S163-Y166 PolarHBondContact OG-N 3.06Å; S163-M167 WeakPolarHBondContact O-CG 3.41Å; S163-M167 PolarHBondContact O-N 3.23Å
164	A	94.1	Very high	93.2	Very high	78 Å²	78	60.9 Å²	60.9	65%	0.645	34%	0.339	S	S	*	.	H	α-helix	trans	-57.9	-35.2	177.5	0	0	0	0	0	112.7	K168	A164-K168 WeakPolarHBondContact O-CB 3.49Å; A164-K168 PolarHBondContact O-N 3.49Å; A164-K168 VanDerWaalsContact O-N 3.11Å
165	A	93.5	Very high	92.8	Very high	50 Å²	50	67.6 Å²	67.6	41%	0.413	37%	0.367	S	S	.	.	H	α-helix	trans	-66.4	-43.6	177.7	0	0	0	0	0	112.2	S163 M169	S163-A165 PolarHBondContact O-N 3.19Å; A165-M169 PolarHBondContact O-N 3.01Å
166	Y	95.5	Very high	92.4	Very high	9 Å²	9	65.3 Å²	65.3	4%	0.035	36%	0.355	C	S	.	.	H	α-helix	trans	-66.4	-48.3	175.9	-175.2	-78.7	0	0	0	111.4	C160 M161 S163 K168 M169 S170 R173 E215	C160-Y166 WeakPolarHBondContact O-CB 3.29Å; M161-Y166 HydrophobicContact CB-CD1 4.31Å; M161-Y166 HydrophobicContact CB-CE1 4.07Å; M161-Y166 HydrophobicContact CG-CE1 3.98Å; M161-Y166 HydrophobicContact CG-CE2 3.98Å; M161-Y166 WeakPolarHBondContact O-CD1 3.31Å; S163-Y166 PolarHBondContact O-N 3.19Å; S163-Y166 VanDerWaalsContact O-N 3.16Å; S163-Y166 VanDerWaalsContact OG-CB 3.27Å; S163-Y166 WeakPolarHBondContact OG-CB 3.39Å; S163-Y166 PolarHBondContact OG-N 3.06Å; Y166-K168 VanDerWaalsContact C-N 3.29Å; Y166-K168 PolarHBondContact O-N 3.32Å; Y166-M169 CarbonylContact O-C 3.57Å; Y166-M169 PolarHBondContact O-N 3.05Å; Y166-S170 PolarHBondContact O-N 3.29Å; Y166-R173 PolarHBondContact OH-NH1 2.71Å; Y166-E215 PolarHBondContact OH-OE1 2.91Å
167	M	94	Very high	92.1	Very high	103 Å²	103	63.7 Å²	63.7	51%	0.507	34%	0.344	S	S	.	.	H	α-helix	trans	-57.7	-42.4	-178.8	-71.9	-171.1	-69.1	0	0	112	S162 S163 M169 S170 E171	S162-M167 WeakPolarHBondContact O-CE 2.95Å; S163-M167 WeakPolarHBondContact O-CG 3.41Å; S163-M167 PolarHBondContact O-N 3.23Å; M167-M169 VanDerWaalsContact C-N 3.29Å; M167-M169 PolarHBondContact O-N 2.86Å; M167-S170 VanDerWaalsContact O-CB 3.3Å; M167-S170 WeakPolarHBondContact O-CB 3.35Å; M167-S170 PolarHBondContact O-N 3.1Å; M167-S170 VanDerWaalsContact O-N 3.11Å; M167-E171 PolarHBondContact O-N 3.27Å
168	K	91.7	Very high	92	Very high	161 Å²	161	63.7 Å²	63.7	70%	0.7	34%	0.343	S	S	*	.	H	α-helix	trans	-57.3	-40.9	174.9	-176.7	-179.1	179.8	-179	0	112.6	A164 Y166	A164-K168 WeakPolarHBondContact O-CB 3.49Å; A164-K168 PolarHBondContact O-N 3.49Å; A164-K168 VanDerWaalsContact O-N 3.11Å; Y166-K168 VanDerWaalsContact C-N 3.29Å; Y166-K168 PolarHBondContact O-N 3.32Å
169	M	91.5	Very high	91.9	Very high	39 Å²	39	60.2 Å²	60.2	19%	0.192	33%	0.331	C	S	.	.	H	α-helix	trans	-77.4	-29	177.7	-67.4	-61.7	-66.1	0	0	112.1	A165 Y166 M167 E171 S172 R173 T247 E248	A165-M169 PolarHBondContact O-N 3.01Å; Y166-M169 CarbonylContact O-C 3.57Å; Y166-M169 PolarHBondContact O-N 3.05Å; M167-M169 VanDerWaalsContact C-N 3.29Å; M167-M169 PolarHBondContact O-N 2.86Å; M169-E171 VanDerWaalsContact C-N 3.31Å; M169-E171 PolarHBondContact O-N 3.46Å; M169-S172 WeakPolarHBondContact O-CB 3.29Å; M169-S172 PolarHBondContact O-N 3.09Å; M169-S172 PolarHBondContact O-OG 3.12Å; M169-R173 PolarHBondContact O-N 3.02Å; M169-R173 VanDerWaalsContact O-N 3.1Å; M169-T247 HydrophobicContact CE-CG2 4.49Å; M169-E248 WeakPolarHBondContact CB-O 3.29Å; M169-E248 HydrophobicContact CE-CB 4.34Å; M169-E248 HydrophobicContact CE-CG 3.49Å; M169-E248 VanDerWaalsContact CE-CG 3.49Å
170	S	91	Very high	91.8	Very high	29 Å²	29	61.7 Å²	61.7	20%	0.203	33%	0.334	C	S	.	.	H	α-helix	trans	-57.4	-40.7	179.4	-163.3	0	0	0	0	112.4	Y166 M167 S172 R173 C174	Y166-S170 PolarHBondContact O-N 3.29Å; M167-S170 VanDerWaalsContact O-CB 3.3Å; M167-S170 WeakPolarHBondContact O-CB 3.35Å; M167-S170 PolarHBondContact O-N 3.1Å; M167-S170 VanDerWaalsContact O-N 3.11Å; S170-S172 PolarHBondContact O-N 2.96Å; S170-R173 PolarHBondContact O-N 2.81Å; S170-R173 VanDerWaalsContact O-N 3.07Å; S170-C174 PolarHBondContact O-N 3.27Å; S170-C174 PolarHBondContact O-SG 2.78Å
171	E	87.3	Confident	91.8	Very high	142 Å²	142	63.4 Å²	63.4	66%	0.664	34%	0.341	S	S	*	.	H	α-helix	trans	-56.6	-35	175.7	-66.7	-179.3	-172.5	0	0	113	M167 M169 K175	M167-E171 PolarHBondContact O-N 3.27Å; M169-E171 VanDerWaalsContact C-N 3.31Å; M169-E171 PolarHBondContact O-N 3.46Å; E171-K175 WeakPolarHBondContact O-CG 3.41Å
172	S	85.8	Confident	91.9	Very high	48 Å²	48	62.3 Å²	62.3	34%	0.336	33%	0.334	S	S	.	.	H	α-helix	trans	-78.7	-34.2	177.3	75.4	0	0	0	0	112.4	M169 S170 K175	M169-S172 WeakPolarHBondContact O-CB 3.29Å; M169-S172 PolarHBondContact O-N 3.09Å; M169-S172 PolarHBondContact O-OG 3.12Å; S170-S172 PolarHBondContact O-N 2.96Å; S172-K175 PolarHBondContact O-N 2.88Å
173	R	91.3	Very high	92	Very high	1 Å²	1	64.9 Å²	64.9	0%	0.004	34%	0.338	C	S	.	.	H	α-helix	trans	-66.6	-43.7	177.8	-68.4	175.3	64.5	-157.1	0.3	111.5	Y166 M169 S170 K175 L176 Y179 E215	Y166-R173 PolarHBondContact OH-NH1 2.71Å; M169-R173 PolarHBondContact O-N 3.02Å; M169-R173 VanDerWaalsContact O-N 3.1Å; S170-R173 PolarHBondContact O-N 2.81Å; S170-R173 VanDerWaalsContact O-N 3.07Å; R173-K175 PolarHBondContact O-N 3.4Å; R173-K175 VanDerWaalsContact O-N 3.09Å; R173-L176 WeakPolarHBondContact O-CB 3.47Å; R173-L176 PolarHBondContact O-N 3.23Å; R173-Y179 HydrophobicContact CB-CD2 4.26Å; R173-Y179 HydrophobicContact CB-CE2 4.46Å; R173-Y179 WeakPolarHBondContact O-CB 3.37Å; R173-E215 IonicContact CZ-OE1 2.94Å; R173-E215 IonicContact NH1-OE1 3.95Å; R173-E215 PolarHBondContact NH1-OE1 3.4Å; R173-E215 IonicContact NH2-OE1 3.75Å; R173-E215 PolarHBondContact NH2-OE1 2.86Å; R173-E215 IonicContact NH2-OE2 3.68Å
174	C	91.7	Very high	92.1	Very high	55 Å²	55	67 Å²	67	37%	0.372	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-19.1	179.6	-63.2	0	0	0	0	113.9	S170 Y179	S170-C174 PolarHBondContact O-N 3.27Å; S170-C174 PolarHBondContact O-SG 2.78Å; C174-Y179 HydrophobicContact CB-CD1 4.29Å; C174-Y179 HydrophobicContact CB-CE1 4.27Å; C174-Y179 VanDerWaalsContact SG-CZ 3.53Å
175	K	88.4	Confident	92.3	Very high	154 Å²	154	63.3 Å²	63.3	67%	0.67	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-12.1	177.6	-66.3	175.6	-174.5	176.8	0	113.4	E171 S172 R173	E171-K175 WeakPolarHBondContact O-CG 3.41Å; S172-K175 PolarHBondContact O-N 2.88Å; R173-K175 PolarHBondContact O-N 3.4Å; R173-K175 VanDerWaalsContact O-N 3.09Å
176	L	88.1	Confident	92.5	Very high	29 Å²	29	61.5 Å²	61.5	15%	0.152	30%	0.299	C	S	.	.	S	Bend	trans	-77.5	136	179.5	-65.7	171.6	0	0	0	109.9	R173 A178 Y179 Q208	R173-L176 WeakPolarHBondContact O-CB 3.47Å; R173-L176 PolarHBondContact O-N 3.23Å; L176-A178 VanDerWaalsContact C-N 3.25Å; L176-A178 PolarHBondContact O-N 3.46Å; L176-Y179 VanDerWaalsContact O-CB 3.28Å; L176-Y179 WeakPolarHBondContact O-CB 3.47Å; L176-Y179 PolarHBondContact O-N 3.32Å; L176-Q208 HydrophobicContact CD1-CG 3.64Å
177	P	89.2	Confident	92.6	Very high	11 Å²	11	62.9 Å²	62.9	7%	0.071	31%	0.311	C	S	.	.	H	α-helix	trans	-51.4	-40.8	178.6	-28	32.2	0	0	0	114	Y179 Q180 F181 C203 I354	P177-Y179 PolarHBondContact O-N 2.87Å; P177-Y179 VanDerWaalsContact O-N 3.12Å; P177-Q180 WeakPolarHBondContact O-CB 3.15Å; P177-Q180 PolarHBondContact O-N 3.23Å; P177-Q180 VanDerWaalsContact O-N 3.1Å; P177-F181 WeakPolarHBondContact O-CD2 3.42Å; P177-C203 HydrophobicContact CB-CB 4.05Å; P177-C203 WeakPolarHBondContact CD-O 3.07Å; P177-C203 HydrophobicContact CG-CB 4.12Å; P177-I354 HydrophobicContact CB-CG2 4Å
178	A	92.1	Very high	92.7	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.3	-27.6	178.7	0	0	0	0	0	113.6	L176 Q180 F181 K182 C203 Q208 F212 I354	L176-A178 VanDerWaalsContact C-N 3.25Å; L176-A178 PolarHBondContact O-N 3.46Å; A178-Q180 VanDerWaalsContact C-N 3.32Å; A178-Q180 PolarHBondContact O-N 2.86Å; A178-F181 PolarHBondContact O-N 2.93Å; A178-K182 PolarHBondContact O-N 3.29Å; A178-C203 WeakPolarHBondContact CB-O 3.32Å; A178-C203 PolarHBondContact N-O 2.62Å; A178-Q208 HydrophobicContact CB-CB 4.48Å; A178-F212 HydrophobicContact CB-CE2 4.46Å; A178-F212 WeakPolarHBondContact O-CE2 3.08Å; A178-I354 HydrophobicContact CB-CD1 3.77Å; A178-I354 HydrophobicContact CB-CG2 4.45Å
179	Y	93.8	Very high	93	Very high	64 Å²	64	51.9 Å²	51.9	25%	0.251	26%	0.263	S	S	.	.	H	α-helix	trans	-68.6	-31.5	179.7	-164.4	-80.4	0	0	0	112.6	R173 C174 L176 P177 F181 K182 F212	R173-Y179 HydrophobicContact CB-CD2 4.26Å; R173-Y179 HydrophobicContact CB-CE2 4.46Å; R173-Y179 WeakPolarHBondContact O-CB 3.37Å; C174-Y179 HydrophobicContact CB-CD1 4.29Å; C174-Y179 HydrophobicContact CB-CE1 4.27Å; C174-Y179 VanDerWaalsContact SG-CZ 3.53Å; L176-Y179 VanDerWaalsContact O-CB 3.28Å; L176-Y179 WeakPolarHBondContact O-CB 3.47Å; L176-Y179 PolarHBondContact O-N 3.32Å; P177-Y179 PolarHBondContact O-N 2.87Å; P177-Y179 VanDerWaalsContact O-N 3.12Å; Y179-F181 PolarHBondContact O-N 3.11Å; Y179-K182 WeakPolarHBondContact O-CB 3.45Å; Y179-K182 PolarHBondContact O-N 3.06Å; Y179-F212 AromaticContact CD2-CE1 3.84Å; Y179-F212 HydrophobicContact CD2-CE1 3.84Å; Y179-F212 AromaticContact CD2-CZ 3.88Å; Y179-F212 HydrophobicContact CD2-CZ 3.88Å; Y179-F212 HydrophobicContact CE2-CE1 4.23Å; Y179-F212 HydrophobicContact CG-CZ 4.32Å
180	Q	92.1	Very high	93.2	Very high	141 Å²	141	55.5 Å²	55.5	66%	0.659	27%	0.274	S	S	*	.	H	α-helix	trans	-66.8	-20.8	177.9	-61.9	-179.5	-5.3	0	0	112.8	P177 A178	P177-Q180 WeakPolarHBondContact O-CB 3.15Å; P177-Q180 PolarHBondContact O-N 3.23Å; P177-Q180 VanDerWaalsContact O-N 3.1Å; A178-Q180 VanDerWaalsContact C-N 3.32Å; A178-Q180 PolarHBondContact O-N 2.86Å
181	F	94.6	Very high	93.5	Very high	48 Å²	48	59.6 Å²	59.6	21%	0.211	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112	20.3	-178.6	-60.2	-81.1	0	0	0	111.6	P177 A178 Y179 E183 D184 I185 F352 I354 P355	P177-F181 WeakPolarHBondContact O-CD2 3.42Å; A178-F181 PolarHBondContact O-N 2.93Å; Y179-F181 PolarHBondContact O-N 3.11Å; F181-E183 PolarHBondContact O-N 3.34Å; F181-D184 PolarHBondContact O-N 2.8Å; F181-I185 HydrophobicContact CB-CD1 4.08Å; F181-I185 HydrophobicContact CB-CG1 4.29Å; F181-I185 WeakPolarHBondContact O-CB 3.42Å; F181-I185 WeakPolarHBondContact O-CD1 3.25Å; F181-I185 WeakPolarHBondContact O-CG1 3.3Å; F181-I185 PolarHBondContact O-N 3.31Å; F181-F352 HydrophobicContact CB-CE1 3.77Å; F181-F352 HydrophobicContact CB-CZ 3.73Å; F181-F352 HydrophobicContact CD1-CE1 4.26Å; F181-F352 AromaticContact CD1-CZ 3.84Å; F181-F352 HydrophobicContact CD1-CZ 3.84Å; F181-F352 HydrophobicContact CG-CE1 4.06Å; F181-F352 HydrophobicContact CG-CZ 4.02Å; F181-I354 HydrophobicContact CD2-CG2 4.24Å; F181-P355 HydrophobicContact CE2-CG 3.76Å; F181-P355 HydrophobicContact CZ-CG 3.56Å
182	K	95.9	Very high	94	Very high	35 Å²	35	55.4 Å²	55.4	15%	0.152	28%	0.276	C	S	.	.	H	α-helix	trans	-54.3	-51.9	-175	173.9	180	-175.4	177	0	111.3	A178 Y179 I185 V186 F212 E215	A178-K182 PolarHBondContact O-N 3.29Å; Y179-K182 WeakPolarHBondContact O-CB 3.45Å; Y179-K182 PolarHBondContact O-N 3.06Å; K182-I185 PolarHBondContact O-N 3.37Å; K182-V186 WeakPolarHBondContact O-CG2 3.21Å; K182-V186 PolarHBondContact O-N 3.49Å; K182-V186 VanDerWaalsContact O-N 3.11Å; K182-F212 HydrophobicContact CB-CD2 4.2Å; K182-F212 HydrophobicContact CB-CE1 4.38Å; K182-F212 HydrophobicContact CB-CE2 4.05Å; K182-F212 HydrophobicContact CB-CG 4.43Å; K182-F212 HydrophobicContact CB-CZ 4.13Å; K182-F212 HydrophobicContact CD-CD1 3.81Å; K182-F212 HydrophobicContact CD-CE1 3.95Å; K182-F212 HydrophobicContact CD-CG 4.29Å; K182-F212 HydrophobicContact CG-CB 4.19Å; K182-F212 HydrophobicContact CG-CD1 3.78Å; K182-F212 HydrophobicContact CG-CD2 3.99Å; K182-F212 HydrophobicContact CG-CE1 4.05Å; K182-F212 HydrophobicContact CG-CE2 4.25Å; K182-F212 HydrophobicContact CG-CG 3.74Å; K182-F212 HydrophobicContact CG-CZ 4.26Å; K182-E215 IonicContact NZ-OE2 2.76Å; K182-E215 PolarHBondContact NZ-OE2 2.86Å
183	E	96.7	Very high	94.6	Very high	128 Å²	128	55.9 Å²	55.9	60%	0.598	27%	0.273	S	S	*	.	H	α-helix	trans	-64.6	-43.7	-176.7	-68	70.8	-156.4	0	0	111.3	F181 V186 S187	F181-E183 PolarHBondContact O-N 3.34Å; E183-V186 PolarHBondContact O-N 2.87Å; E183-S187 WeakPolarHBondContact O-CB 3.08Å; E183-S187 PolarHBondContact O-N 2.85Å; E183-S187 PolarHBondContact O-OG 3.43Å
184	D	96.8	Very high	94.9	Very high	82 Å²	82	56.6 Å²	56.6	44%	0.439	28%	0.277	S	S	.	.	H	α-helix	trans	-66.6	-39	179.4	-59.9	-35.8	0	0	0	112.5	F181 S187 T188 F352	F181-D184 PolarHBondContact O-N 2.8Å; D184-S187 WeakPolarHBondContact CA-OG 3.37Å; D184-S187 PolarHBondContact O-OG 3.46Å; D184-T188 VanDerWaalsContact O-CB 3.3Å; D184-T188 WeakPolarHBondContact O-CB 3.42Å; D184-T188 PolarHBondContact O-N 3.33Å; D184-T188 PolarHBondContact O-OG1 3.26Å; D184-F352 HydrophobicContact CB-CE2 3.6Å; D184-F352 HydrophobicContact CB-CZ 3.77Å
185	I	96.8	Very high	95.2	Very high	1 Å²	1	54 Å²	54	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-63	-48.1	176.1	-72.6	165.8	0	0	0	109.9	F181 K182 T188 I189 I197 V209 F352 I354	F181-I185 HydrophobicContact CB-CD1 4.08Å; F181-I185 HydrophobicContact CB-CG1 4.29Å; F181-I185 WeakPolarHBondContact O-CB 3.42Å; F181-I185 WeakPolarHBondContact O-CD1 3.25Å; F181-I185 WeakPolarHBondContact O-CG1 3.3Å; F181-I185 PolarHBondContact O-N 3.31Å; K182-I185 PolarHBondContact O-N 3.37Å; I185-T188 PolarHBondContact O-N 3.42Å; I185-I189 HydrophobicContact CG2-CD1 3.81Å; I185-I189 VanDerWaalsContact O-CG1 3.28Å; I185-I189 WeakPolarHBondContact O-CG1 3.5Å; I185-I189 PolarHBondContact O-N 2.65Å; I185-I189 VanDerWaalsContact O-N 3.08Å; I185-I197 HydrophobicContact CG2-CD1 3.78Å; I185-V209 HydrophobicContact CD1-CG2 4.49Å; I185-V209 HydrophobicContact CG2-CG1 4.28Å; I185-V209 HydrophobicContact CG2-CG2 4.33Å; I185-F352 HydrophobicContact CD1-CE1 4.29Å; I185-F352 HydrophobicContact CG1-CD1 3.85Å; I185-F352 HydrophobicContact CG1-CE1 3.72Å; I185-F352 HydrophobicContact CG1-CG 4.39Å; I185-F352 HydrophobicContact CG1-CZ 4.15Å; I185-I354 HydrophobicContact CD1-CD1 3.79Å; I185-I354 HydrophobicContact CD1-CG1 4.33Å
186	V	97.7	Very high	95.6	Very high	11 Å²	11	46.7 Å²	46.7	7%	0.067	23%	0.228	C	C	.	.	H	α-helix	trans	-67	-43	-177.2	168.5	0	0	0	0	111.4	K182 E183 I189 R190 F212 D216	K182-V186 WeakPolarHBondContact O-CG2 3.21Å; K182-V186 PolarHBondContact O-N 3.49Å; K182-V186 VanDerWaalsContact O-N 3.11Å; E183-V186 PolarHBondContact O-N 2.87Å; V186-I189 PolarHBondContact O-N 2.94Å; V186-R190 WeakPolarHBondContact O-CB 3.32Å; V186-R190 PolarHBondContact O-N 3.02Å; V186-F212 HydrophobicContact CG2-CB 3.74Å; V186-D216 HydrophobicContact CG1-CB 3.59Å; V186-D216 VanDerWaalsContact CG1-OD2 3.29Å; V186-D216 WeakPolarHBondContact CG1-OD2 3.43Å; V186-D216 HydrophobicContact CG2-CB 4.42Å
187	S	97.6	Very high	96	Very high	39 Å²	39	45.4 Å²	45.4	27%	0.273	22%	0.221	S	C	.	.	H	α-helix	trans	-62.1	-45.5	175.9	61.2	0	0	0	0	111.2	E183 D184 I189 R190 D191	E183-S187 WeakPolarHBondContact O-CB 3.08Å; E183-S187 PolarHBondContact O-N 2.85Å; E183-S187 PolarHBondContact O-OG 3.43Å; D184-S187 WeakPolarHBondContact CA-OG 3.37Å; D184-S187 PolarHBondContact O-OG 3.46Å; S187-I189 VanDerWaalsContact C-N 3.33Å; S187-I189 PolarHBondContact O-N 2.8Å; S187-R190 WeakPolarHBondContact O-CB 3.31Å; S187-R190 PolarHBondContact O-N 3.31Å; S187-R190 VanDerWaalsContact O-N 3.11Å; S187-D191 WeakPolarHBondContact O-CB 3.4Å; S187-D191 VanDerWaalsContact O-CG 3.25Å; S187-D191 PolarHBondContact O-N 2.9Å
188	T	97.5	Very high	96.1	Very high	29 Å²	29	44.9 Å²	44.9	18%	0.178	22%	0.218	C	C	.	.	H	α-helix	trans	-58.6	-43.1	178.3	-55.7	0	0	0	0	111.9	D184 I185 N192 V195 P350	D184-T188 VanDerWaalsContact O-CB 3.3Å; D184-T188 WeakPolarHBondContact O-CB 3.42Å; D184-T188 PolarHBondContact O-N 3.33Å; D184-T188 PolarHBondContact O-OG1 3.26Å; I185-T188 PolarHBondContact O-N 3.42Å; T188-N192 WeakPolarHBondContact O-CB 3.26Å; T188-N192 PolarHBondContact O-N 3.22Å; T188-N192 PolarHBondContact O-ND2 3.33Å; T188-V195 HydrophobicContact CG2-CG1 3.83Å; T188-V195 HydrophobicContact CG2-CG2 3.99Å; T188-P350 HydrophobicContact CG2-CB 4.24Å
189	I	97.9	Very high	95.9	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-69	-35.9	177.6	-66	166.5	0	0	0	111.9	I185 V186 S187 V195 I197 V209 I213 R329 V331	I185-I189 HydrophobicContact CG2-CD1 3.81Å; I185-I189 VanDerWaalsContact O-CG1 3.28Å; I185-I189 WeakPolarHBondContact O-CG1 3.5Å; I185-I189 PolarHBondContact O-N 2.65Å; I185-I189 VanDerWaalsContact O-N 3.08Å; V186-I189 PolarHBondContact O-N 2.94Å; S187-I189 VanDerWaalsContact C-N 3.33Å; S187-I189 PolarHBondContact O-N 2.8Å; I189-V195 HydrophobicContact CG1-CB 4.37Å; I189-V195 HydrophobicContact CG1-CG1 4.47Å; I189-V195 HydrophobicContact CG1-CG2 4.33Å; I189-I197 HydrophobicContact CD1-CD1 4.15Å; I189-V209 HydrophobicContact CD1-CG1 4.21Å; I189-I213 HydrophobicContact CD1-CD1 3.73Å; I189-I213 HydrophobicContact CD1-CG1 3.88Å; I189-R329 HydrophobicContact CG2-CB 4.36Å; I189-R329 PolarHBondContact O-NH1 2.85Å; I189-V331 HydrophobicContact CD1-CG2 3.89Å; I189-V331 HydrophobicContact CG1-CG2 3.96Å; I189-V331 HydrophobicContact CG2-CG2 4.11Å
190	R	95.8	Very high	95.3	Very high	114 Å²	114	44.4 Å²	44.4	43%	0.43	22%	0.218	S	C	.	.	H	α-helix	trans	-67.5	-39.4	177.9	-170.3	-171.6	-59.5	142.5	-1.4	111.6	V186 S187 D216 R329	V186-R190 WeakPolarHBondContact O-CB 3.32Å; V186-R190 PolarHBondContact O-N 3.02Å; S187-R190 WeakPolarHBondContact O-CB 3.31Å; S187-R190 PolarHBondContact O-N 3.31Å; S187-R190 VanDerWaalsContact O-N 3.11Å; R190-D216 IonicContact CZ-OD2 3.15Å; R190-D216 IonicContact NE-OD2 2.76Å; R190-D216 IonicContact NH2-OD1 2.62Å; R190-D216 PolarHBondContact NH2-OD1 2.86Å; R190-D216 IonicContact NH2-OD2 2.77Å; R190-D216 PolarHBondContact NH2-OD2 3.37Å; R190-R329 VanDerWaalsContact O-CZ 3.25Å; R190-R329 PolarHBondContact O-NH1 3.21Å; R190-R329 PolarHBondContact O-NH2 3.39Å
191	D	96.7	Very high	94.6	Very high	116 Å²	116	39.2 Å²	39.2	62%	0.62	20%	0.196	S	C	*	.	H	α-helix	trans	-85.4	-15.1	-172.5	-62.7	-17.2	0	0	0	112.8	S187	S187-D191 WeakPolarHBondContact O-CB 3.4Å; S187-D191 VanDerWaalsContact O-CG 3.25Å; S187-D191 PolarHBondContact O-N 2.9Å
192	N	97.9	Very high	93.8	Very high	54 Å²	54	38.5 Å²	38.5	29%	0.289	20%	0.202	S	C	.	.			trans	-129	142.9	-175.6	-59.5	-85.6	0	0	0	111.6	T188 V195 R329 P350	T188-N192 WeakPolarHBondContact O-CB 3.26Å; T188-N192 PolarHBondContact O-N 3.22Å; T188-N192 PolarHBondContact O-ND2 3.33Å; N192-V195 HydrophobicContact CB-CG2 3.77Å; N192-R329 PolarHBondContact O-NH1 3.31Å; N192-P350 HydrophobicContact CB-CG 4.18Å; N192-P350 WeakPolarHBondContact OD1-CG 3.44Å
193	Q	97.6	Very high	93.3	Very high	58 Å²	58	36.9 Å²	36.9	27%	0.271	20%	0.195	S	C	.	.	S	Bend	trans	-71.7	-42.8	179.4	-167	-172.5	20.6	0	0	111.6	A322 R325 L328 R329 I330	Q193-A322 PolarHBondContact NE2-O 2.85Å; Q193-R325 PolarHBondContact NE2-O 3.29Å; Q193-L328 WeakPolarHBondContact CG-O 3.32Å; Q193-R329 CarbonylContact O-C 3.55Å; Q193-R329 WeakPolarHBondContact O-CA 3.43Å; Q193-I330 PolarHBondContact O-N 3.47Å
194	V	98.3	Very high	92.9	Very high	15 Å²	15	31.2 Å²	31.2	9%	0.091	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	132.2	178.8	-170.5	0	0	0	0	109	I330 F346 C349	V194-I330 CarbonylContact C-O 3.46Å; V194-I330 VanDerWaalsContact CA-O 3.29Å; V194-I330 WeakPolarHBondContact CA-O 3.48Å; V194-I330 HydrophobicContact CG1-CB 4.33Å; V194-I330 HydrophobicContact CG1-CG2 4.25Å; V194-I330 HydrophobicContact CG2-CB 4.24Å; V194-I330 HydrophobicContact CG2-CD1 4.27Å; V194-F346 HydrophobicContact CG1-CB 3.93Å; V194-F346 HydrophobicContact CG1-CD1 3.89Å; V194-F346 HydrophobicContact CG1-CG 3.87Å; V194-F346 HydrophobicContact CG2-CD1 4.14Å; V194-C349 HydrophobicContact CB-CB 3.99Å; V194-C349 HydrophobicContact CG1-CB 4.21Å; V194-C349 WeakPolarHBondContact O-CB 3.28Å
195	V	98.1	Very high	92.7	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.012	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	136.7	177.5	178.7	0	0	0	0	110.1	T188 I189 N192 I197 I330 V331 L332	T188-V195 HydrophobicContact CG2-CG1 3.83Å; T188-V195 HydrophobicContact CG2-CG2 3.99Å; I189-V195 HydrophobicContact CG1-CB 4.37Å; I189-V195 HydrophobicContact CG1-CG1 4.47Å; I189-V195 HydrophobicContact CG1-CG2 4.33Å; N192-V195 HydrophobicContact CB-CG2 3.77Å; V195-I197 HydrophobicContact CG1-CG1 4.15Å; V195-I330 PolarHBondContact N-O 3.26Å; V195-V331 CarbonylContact O-C 3.52Å; V195-V331 WeakPolarHBondContact O-CA 3.33Å; V195-L332 PolarHBondContact O-N 3.33Å
196	I	97	Very high	92.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	121.6	171.2	-67.5	157.6	0	0	0	109.1	L332 A339 F342 V343 C349 P350 K351 F352	I196-L332 CarbonylContact C-O 3.58Å; I196-L332 WeakPolarHBondContact CA-O 3.35Å; I196-L332 HydrophobicContact CG1-CB 3.96Å; I196-L332 HydrophobicContact CG1-CD1 4.01Å; I196-L332 HydrophobicContact CG1-CG 4.31Å; I196-A339 HydrophobicContact CG2-CB 3.96Å; I196-F342 HydrophobicContact CD1-CB 3.57Å; I196-F342 HydrophobicContact CG1-CB 4.25Å; I196-V343 VanDerWaalsContact CD1-CA 3.43Å; I196-V343 HydrophobicContact CD1-CB 4.02Å; I196-V343 HydrophobicContact CD1-CG2 3.41Å; I196-V343 VanDerWaalsContact CD1-CG2 3.41Å; I196-C349 VanDerWaalsContact CD1-SG 3.51Å; I196-P350 PolarHBondContact N-O 3.23Å; I196-K351 HydrophobicContact CG2-CG 4.49Å; I196-K351 CarbonylContact O-C 3.46Å; I196-K351 WeakPolarHBondContact O-CA 3.41Å; I196-F352 PolarHBondContact O-N 3.01Å
197	I	95.8	Very high	92.2	Very high	1 Å²	1	30 Å²	30	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	110.2	172.7	-58.1	179.6	0	0	0	108.5	I185 I189 V195 K205 V209 V331 L332 M333 S334 F352 I354	I185-I197 HydrophobicContact CG2-CD1 3.78Å; I189-I197 HydrophobicContact CD1-CD1 4.15Å; V195-I197 HydrophobicContact CG1-CG1 4.15Å; I197-K205 HydrophobicContact CG2-CD 3.9Å; I197-K205 HydrophobicContact CG2-CG 4.03Å; I197-V209 HydrophobicContact CD1-CG1 3.76Å; I197-V209 HydrophobicContact CD1-CG2 4Å; I197-V331 HydrophobicContact CD1-CG1 3.67Å; I197-V331 HydrophobicContact CG1-CG1 3.98Å; I197-L332 PolarHBondContact N-O 2.58Å; I197-M333 HydrophobicContact CB-CG 4.43Å; I197-M333 WeakPolarHBondContact O-CA 3.47Å; I197-S334 PolarHBondContact O-N 2.9Å; I197-F352 WeakPolarHBondContact CA-O 3.13Å; I197-F352 HydrophobicContact CG1-CB 4.43Å; I197-I354 HydrophobicContact CG2-CD1 3.77Å; I197-I354 HydrophobicContact CG2-CG1 4.16Å
198	S	92.1	Very high	92.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	148.4	175.1	68.8	0	0	0	0	110.7	S334 F352 E353 I354	S198-S334 WeakPolarHBondContact CA-O 3.24Å; S198-F352 PolarHBondContact N-O 2.84Å; S198-F352 PolarHBondContact OG-O 2.84Å; S198-E353 WeakPolarHBondContact O-CA 3.18Å; S198-I354 PolarHBondContact O-N 3.18Å
199	G	87.6	Confident	92.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.9	166.2	174.3	0	0	0	0	0	111.3	K205 S334	G199-K205 VanDerWaalsContact C-NZ 3.31Å; G199-K205 PolarHBondContact O-NZ 3.44Å; G199-S334 PolarHBondContact N-O 2.91Å; G199-S334 VanDerWaalsContact N-O 3.16Å
200	E	81.3	Confident	92.2	Very high	55 Å²	55	26.6 Å²	26.6	26%	0.257	14%	0.143	S	C	.	.			trans	-68.6	165.1	-177.9	-60.9	-159	-133.1	0	0	113.2	G202 C203 K205 T336 R357	E200-G202 PolarHBondContact O-N 2.6Å; E200-C203 PolarHBondContact O-N 3.32Å; E200-C203 PolarHBondContact O-SG 3.41Å; E200-K205 PolarHBondContact O-NZ 3.38Å; E200-T336 HydrophobicContact CG-CG2 4.29Å; E200-R357 HydrophobicContact CB-CG 4.23Å; E200-R357 WeakPolarHBondContact OE2-CG 3.32Å; E200-R357 IonicContact OE2-CZ 2.67Å; E200-R357 IonicContact OE2-NE 3.53Å; E200-R357 PolarHBondContact OE2-NE 2.6Å; E200-R357 IonicContact OE2-NH2 2.83Å; E200-R357 PolarHBondContact OE2-NH2 3.07Å
201	T	77.6	Confident	92.3	Very high	31 Å²	31	21.1 Å²	21.1	19%	0.19	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	134.9	173.7	55.5	0	0	0	0	110.1	Q577 G580	T201-Q577 HydrophobicContact CG2-CG 4.11Å; T201-G580 WeakPolarHBondContact OG1-CA 3.01Å
202	G	76.9	Confident	92.3	Very high	34 Å²	34	15.6 Å²	15.6	35%	0.351	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	-2	178.4	0	0	0	0	0	115.3	E200 G204	E200-G202 PolarHBondContact O-N 2.6Å; G202-G204 PolarHBondContact O-N 2.83Å
203	C	85.3	Confident	92.4	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.007	8%	0.08	C	C	.	.	S	Bend	trans	-70.1	-12.3	176.3	68.3	0	0	0	0	114	P177 A178 E200 I354	P177-C203 HydrophobicContact CB-CB 4.05Å; P177-C203 WeakPolarHBondContact CD-O 3.07Å; P177-C203 HydrophobicContact CG-CB 4.12Å; A178-C203 WeakPolarHBondContact CB-O 3.32Å; A178-C203 PolarHBondContact N-O 2.62Å; E200-C203 PolarHBondContact O-N 3.32Å; E200-C203 PolarHBondContact O-SG 3.41Å; C203-I354 HydrophobicContact CB-CG2 4.12Å
204	G	88.4	Confident	92.4	Very high	8 Å²	8	10.5 Å²	10.5	8%	0.082	7%	0.067	C	C	.	.	S	Bend	trans	106.7	3.4	174	0	0	0	0	0	116	G202 T206 T207 Q208	G202-G204 PolarHBondContact O-N 2.83Å; G204-T206 PolarHBondContact O-N 3.15Å; G204-T207 PolarHBondContact O-N 2.97Å; G204-T207 PolarHBondContact O-OG1 2.96Å; G204-Q208 WeakPolarHBondContact O-CB 3.41Å; G204-Q208 VanDerWaalsContact O-CG 3.31Å; G204-Q208 WeakPolarHBondContact O-CG 3.34Å; G204-Q208 PolarHBondContact O-N 3.34Å
205	K	91.7	Very high	92.4	Very high	18 Å²	18	9.9 Å²	9.9	8%	0.078	6%	0.063	C	C	.	.	H	α-helix	trans	-45.2	-64.5	-178.8	-69	-176.8	-51.3	-71.7	0	113.5	I197 G199 E200 T207 Q208 V209 M333 S334 I354	I197-K205 HydrophobicContact CG2-CD 3.9Å; I197-K205 HydrophobicContact CG2-CG 4.03Å; G199-K205 VanDerWaalsContact C-NZ 3.31Å; G199-K205 PolarHBondContact O-NZ 3.44Å; E200-K205 PolarHBondContact O-NZ 3.38Å; K205-T207 VanDerWaalsContact C-N 3.32Å; K205-T207 PolarHBondContact O-N 2.93Å; K205-Q208 PolarHBondContact O-N 2.69Å; K205-V209 VanDerWaalsContact O-CB 3.27Å; K205-V209 WeakPolarHBondContact O-CB 3.45Å; K205-V209 WeakPolarHBondContact O-CG2 3.32Å; K205-V209 PolarHBondContact O-N 2.94Å; K205-M333 HydrophobicContact CB-SD 3.88Å; K205-S334 WeakPolarHBondContact CE-O 3.48Å; K205-I354 HydrophobicContact CG-CD1 3.82Å
206	T	92.1	Very high	92.4	Very high	25 Å²	25	12.2 Å²	12.2	15%	0.153	8%	0.076	C	C	.	.	H	α-helix	trans	-59	-37.4	-173.6	-51.1	0	0	0	0	114.2	G204 P210 I241 D302	G204-T206 PolarHBondContact O-N 3.15Å; T206-P210 WeakPolarHBondContact O-CD 3.36Å; T206-P210 WeakPolarHBondContact O-CG 3.34Å; T206-I241 HydrophobicContact CG2-CD1 3.65Å; T206-I241 HydrophobicContact CG2-CG1 4.34Å; T206-I241 HydrophobicContact CG2-CG2 3.85Å; T206-D302 WeakPolarHBondContact CB-OD2 3.35Å; T206-D302 WeakPolarHBondContact CG2-OD2 3.49Å; T206-D302 PolarHBondContact OG1-OD2 2.83Å
207	T	93.3	Very high	92.4	Very high	26 Å²	26	13.4 Å²	13.4	16%	0.16	8%	0.081	C	C	.	.	H	α-helix	trans	-89.2	-38.8	-178	55.1	0	0	0	0	112	G204 K205 Q211 R244 V245	G204-T207 PolarHBondContact O-N 2.97Å; G204-T207 PolarHBondContact O-OG1 2.96Å; K205-T207 VanDerWaalsContact C-N 3.32Å; K205-T207 PolarHBondContact O-N 2.93Å; T207-Q211 WeakPolarHBondContact O-CG 3.37Å; T207-Q211 PolarHBondContact O-NE2 2.5Å; T207-R244 HydrophobicContact CG2-CG 4.23Å; T207-V245 HydrophobicContact CG2-CG2 4.19Å
208	Q	95.7	Very high	92.5	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-91.7	-42.6	-169.3	-57.7	-48.7	-64.2	0	0	113.7	L176 A178 G204 K205 Q211 F212 E248	L176-Q208 HydrophobicContact CD1-CG 3.64Å; A178-Q208 HydrophobicContact CB-CB 4.48Å; G204-Q208 WeakPolarHBondContact O-CB 3.41Å; G204-Q208 VanDerWaalsContact O-CG 3.31Å; G204-Q208 WeakPolarHBondContact O-CG 3.34Å; G204-Q208 PolarHBondContact O-N 3.34Å; K205-Q208 PolarHBondContact O-N 2.69Å; Q208-Q211 CarbonylContact O-C 3.59Å; Q208-Q211 WeakPolarHBondContact O-CA 3.45Å; Q208-Q211 WeakPolarHBondContact O-CB 3.27Å; Q208-Q211 PolarHBondContact O-N 2.93Å; Q208-F212 HydrophobicContact CB-CD2 4.32Å; Q208-F212 HydrophobicContact CB-CE1 3.92Å; Q208-F212 HydrophobicContact CB-CE2 3.66Å; Q208-F212 HydrophobicContact CB-CZ 3.44Å; Q208-F212 VanDerWaalsContact CB-CZ 3.44Å; Q208-F212 HydrophobicContact CG-CZ 4.15Å; Q208-F212 WeakPolarHBondContact O-CD1 3.28Å; Q208-F212 VanDerWaalsContact O-CG 3.22Å; Q208-F212 WeakPolarHBondContact O-CG 3.32Å; Q208-F212 PolarHBondContact O-N 3.15Å; Q208-E248 PolarHBondContact NE2-OE2 2.79Å
209	V	97.7	Very high	92.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-56.1	-48.1	-176.2	173.4	0	0	0	0	112.2	I185 I189 I197 K205 Q211 F212 I213 I300 M333	I185-V209 HydrophobicContact CD1-CG2 4.49Å; I185-V209 HydrophobicContact CG2-CG1 4.28Å; I185-V209 HydrophobicContact CG2-CG2 4.33Å; I189-V209 HydrophobicContact CD1-CG1 4.21Å; I197-V209 HydrophobicContact CD1-CG1 3.76Å; I197-V209 HydrophobicContact CD1-CG2 4Å; K205-V209 VanDerWaalsContact O-CB 3.27Å; K205-V209 WeakPolarHBondContact O-CB 3.45Å; K205-V209 WeakPolarHBondContact O-CG2 3.32Å; K205-V209 PolarHBondContact O-N 2.94Å; V209-Q211 PolarHBondContact O-N 2.87Å; V209-F212 PolarHBondContact O-N 3.01Å; V209-I213 HydrophobicContact CG1-CD1 3.97Å; V209-I213 WeakPolarHBondContact O-CG1 3.04Å; V209-I213 PolarHBondContact O-N 2.97Å; V209-I213 VanDerWaalsContact O-N 3.11Å; V209-I300 HydrophobicContact CG1-CD1 4.44Å; V209-M333 HydrophobicContact CB-SD 4.24Å; V209-M333 HydrophobicContact CG2-SD 4.43Å
210	P	98.3	Very high	93.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.4	-34.8	177	-18.2	29.5	0	0	0	112.6	T206 L214 I228 V230 I275 F277 I300	T206-P210 WeakPolarHBondContact O-CD 3.36Å; T206-P210 WeakPolarHBondContact O-CG 3.34Å; P210-L214 WeakPolarHBondContact O-CB 3.19Å; P210-L214 PolarHBondContact O-N 3.03Å; P210-I228 HydrophobicContact CB-CG2 4.45Å; P210-I228 WeakPolarHBondContact O-CD1 3.46Å; P210-V230 HydrophobicContact CB-CG2 3.86Å; P210-V230 HydrophobicContact CG-CG2 3.68Å; P210-I275 HydrophobicContact CB-CD1 4.08Å; P210-I275 HydrophobicContact CB-CG1 4.39Å; P210-I275 HydrophobicContact CB-CG2 4.28Å; P210-F277 HydrophobicContact CG-CZ 4.49Å; P210-I300 HydrophobicContact CB-CD1 4.02Å; P210-I300 HydrophobicContact CG-CD1 3.87Å
211	Q	98.1	Very high	93.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-70.7	-39.4	177.4	-67.4	-175.4	82.4	0	0	111.9	T207 Q208 V209 L214 E215 V245 E248 I275	T207-Q211 WeakPolarHBondContact O-CG 3.37Å; T207-Q211 PolarHBondContact O-NE2 2.5Å; Q208-Q211 CarbonylContact O-C 3.59Å; Q208-Q211 WeakPolarHBondContact O-CA 3.45Å; Q208-Q211 WeakPolarHBondContact O-CB 3.27Å; Q208-Q211 PolarHBondContact O-N 2.93Å; V209-Q211 PolarHBondContact O-N 2.87Å; Q211-L214 PolarHBondContact O-N 3.43Å; Q211-E215 VanDerWaalsContact O-CB 3.3Å; Q211-E215 WeakPolarHBondContact O-CB 3.35Å; Q211-E215 WeakPolarHBondContact O-CG 3.32Å; Q211-E215 PolarHBondContact O-N 2.97Å; Q211-V245 HydrophobicContact CG-CG1 3.66Å; Q211-E248 PolarHBondContact NE2-OE2 3.41Å; Q211-I275 HydrophobicContact CG-CD1 4.34Å
212	F	98.3	Very high	94.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.2	-46	177.5	-60.5	-22.7	0	0	0	111.4	A178 Y179 K182 V186 Q208 V209 E215 D216	A178-F212 HydrophobicContact CB-CE2 4.46Å; A178-F212 WeakPolarHBondContact O-CE2 3.08Å; Y179-F212 AromaticContact CD2-CE1 3.84Å; Y179-F212 HydrophobicContact CD2-CE1 3.84Å; Y179-F212 AromaticContact CD2-CZ 3.88Å; Y179-F212 HydrophobicContact CD2-CZ 3.88Å; Y179-F212 HydrophobicContact CE2-CE1 4.23Å; Y179-F212 HydrophobicContact CG-CZ 4.32Å; K182-F212 HydrophobicContact CB-CD2 4.2Å; K182-F212 HydrophobicContact CB-CE1 4.38Å; K182-F212 HydrophobicContact CB-CE2 4.05Å; K182-F212 HydrophobicContact CB-CG 4.43Å; K182-F212 HydrophobicContact CB-CZ 4.13Å; K182-F212 HydrophobicContact CD-CD1 3.81Å; K182-F212 HydrophobicContact CD-CE1 3.95Å; K182-F212 HydrophobicContact CD-CG 4.29Å; K182-F212 HydrophobicContact CG-CB 4.19Å; K182-F212 HydrophobicContact CG-CD1 3.78Å; K182-F212 HydrophobicContact CG-CD2 3.99Å; K182-F212 HydrophobicContact CG-CE1 4.05Å; K182-F212 HydrophobicContact CG-CE2 4.25Å; K182-F212 HydrophobicContact CG-CG 3.74Å; K182-F212 HydrophobicContact CG-CZ 4.26Å; V186-F212 HydrophobicContact CG2-CB 3.74Å; Q208-F212 HydrophobicContact CB-CD2 4.32Å; Q208-F212 HydrophobicContact CB-CE1 3.92Å; Q208-F212 HydrophobicContact CB-CE2 3.66Å; Q208-F212 HydrophobicContact CB-CZ 3.44Å; Q208-F212 VanDerWaalsContact CB-CZ 3.44Å; Q208-F212 HydrophobicContact CG-CZ 4.15Å; Q208-F212 WeakPolarHBondContact O-CD1 3.28Å; Q208-F212 VanDerWaalsContact O-CG 3.22Å; Q208-F212 WeakPolarHBondContact O-CG 3.32Å; Q208-F212 PolarHBondContact O-N 3.15Å; V209-F212 PolarHBondContact O-N 3.01Å; F212-E215 PolarHBondContact O-N 2.84Å; F212-D216 WeakPolarHBondContact O-CB 3.43Å; F212-D216 PolarHBondContact O-N 3.34Å
213	I	98.4	Very high	95.7	Very high	4 Å²	4	16.9 Å²	16.9	2%	0.021	11%	0.109	C	C	.	.	H	α-helix	trans	-60.6	-47.5	175	-60.9	162.6	0	0	0	110.1	I189 V209 E215 D216 Q217 I228 I300	I189-I213 HydrophobicContact CD1-CD1 3.73Å; I189-I213 HydrophobicContact CD1-CG1 3.88Å; V209-I213 HydrophobicContact CG1-CD1 3.97Å; V209-I213 WeakPolarHBondContact O-CG1 3.04Å; V209-I213 PolarHBondContact O-N 2.97Å; V209-I213 VanDerWaalsContact O-N 3.11Å; I213-E215 PolarHBondContact O-N 3.15Å; I213-D216 PolarHBondContact O-N 2.78Å; I213-Q217 HydrophobicContact CG2-CG 4.27Å; I213-Q217 WeakPolarHBondContact O-CB 3.46Å; I213-Q217 VanDerWaalsContact O-CG 3.26Å; I213-Q217 WeakPolarHBondContact O-CG 3.47Å; I213-Q217 PolarHBondContact O-N 3.02Å; I213-I228 HydrophobicContact CB-CD1 3.88Å; I213-I228 HydrophobicContact CG2-CD1 3.61Å; I213-I228 HydrophobicContact CG2-CG1 4.32Å; I213-I300 HydrophobicContact CD1-CD1 3.73Å
214	L	98.2	Very high	96.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.3	-45.5	-179.2	-178.6	65.1	0	0	0	112.2	M157 P210 Q211 V218 T226 I228 G273 I275	M157-L214 HydrophobicContact CE-CD2 4.2Å; M157-L214 HydrophobicContact CE-CG 3.95Å; P210-L214 WeakPolarHBondContact O-CB 3.19Å; P210-L214 PolarHBondContact O-N 3.03Å; Q211-L214 PolarHBondContact O-N 3.43Å; L214-V218 HydrophobicContact CD1-CG2 3.86Å; L214-V218 HydrophobicContact CG-CG2 4.38Å; L214-V218 WeakPolarHBondContact O-CB 3.03Å; L214-V218 VanDerWaalsContact O-CG2 3.26Å; L214-V218 WeakPolarHBondContact O-CG2 2.95Å; L214-V218 PolarHBondContact O-N 2.7Å; L214-T226 HydrophobicContact CD1-CG2 4.04Å; L214-I228 HydrophobicContact CB-CD1 3.78Å; L214-I228 HydrophobicContact CD1-CD1 4.42Å; L214-G273 WeakPolarHBondContact CD1-O 3.5Å; L214-I275 HydrophobicContact CB-CD1 4.05Å; L214-I275 HydrophobicContact CB-CG1 4.3Å; L214-I275 HydrophobicContact CD2-CD1 3.67Å; L214-I275 HydrophobicContact CD2-CG1 3.95Å; L214-I275 HydrophobicContact CG-CD1 4.44Å
215	E	97.7	Very high	96.5	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.009	12%	0.115	C	C	.	.	H	α-helix	trans	-61.6	-47.9	178.5	-73.9	167.6	-171.8	0	0	110.8	M157 Y166 R173 K182 Q211 F212 I213 L219	M157-E215 HydrophobicContact SD-CG 4.27Å; Y166-E215 PolarHBondContact OH-OE1 2.91Å; R173-E215 IonicContact CZ-OE1 2.94Å; R173-E215 IonicContact NH1-OE1 3.95Å; R173-E215 PolarHBondContact NH1-OE1 3.4Å; R173-E215 IonicContact NH2-OE1 3.75Å; R173-E215 PolarHBondContact NH2-OE1 2.86Å; R173-E215 IonicContact NH2-OE2 3.68Å; K182-E215 IonicContact NZ-OE2 2.76Å; K182-E215 PolarHBondContact NZ-OE2 2.86Å; Q211-E215 VanDerWaalsContact O-CB 3.3Å; Q211-E215 WeakPolarHBondContact O-CB 3.35Å; Q211-E215 WeakPolarHBondContact O-CG 3.32Å; Q211-E215 PolarHBondContact O-N 2.97Å; F212-E215 PolarHBondContact O-N 2.84Å; I213-E215 PolarHBondContact O-N 3.15Å; E215-L219 VanDerWaalsContact O-CB 3.23Å; E215-L219 WeakPolarHBondContact O-CB 3.49Å; E215-L219 WeakPolarHBondContact O-CG 3.29Å; E215-L219 PolarHBondContact O-N 3.28Å
216	D	97.8	Very high	96.7	Very high	51 Å²	51	17.5 Å²	17.5	27%	0.273	11%	0.112	S	C	.	.	H	α-helix	trans	-60.3	-49.7	178.4	-176.5	73.8	0	0	0	112.2	V186 R190 F212 I213 G220	V186-D216 HydrophobicContact CG1-CB 3.59Å; V186-D216 VanDerWaalsContact CG1-OD2 3.29Å; V186-D216 WeakPolarHBondContact CG1-OD2 3.43Å; V186-D216 HydrophobicContact CG2-CB 4.42Å; R190-D216 IonicContact CZ-OD2 3.15Å; R190-D216 IonicContact NE-OD2 2.76Å; R190-D216 IonicContact NH2-OD1 2.62Å; R190-D216 PolarHBondContact NH2-OD1 2.86Å; R190-D216 IonicContact NH2-OD2 2.77Å; R190-D216 PolarHBondContact NH2-OD2 3.37Å; F212-D216 WeakPolarHBondContact O-CB 3.43Å; F212-D216 PolarHBondContact O-N 3.34Å; I213-D216 PolarHBondContact O-N 2.78Å; D216-G220 PolarHBondContact O-N 3.34Å
217	Q	97.8	Very high	96.9	Very high	26 Å²	26	17.3 Å²	17.3	12%	0.121	11%	0.109	C	C	.	.	H	α-helix	trans	-66.9	-42.9	-177.3	-68.4	-67.4	-17.9	0	0	112.8	I213 G220 G221 N222 T226	I213-Q217 HydrophobicContact CG2-CG 4.27Å; I213-Q217 WeakPolarHBondContact O-CB 3.46Å; I213-Q217 VanDerWaalsContact O-CG 3.26Å; I213-Q217 WeakPolarHBondContact O-CG 3.47Å; I213-Q217 PolarHBondContact O-N 3.02Å; Q217-G220 PolarHBondContact O-N 3Å; Q217-G221 PolarHBondContact O-N 3.48Å; Q217-N222 HydrophobicContact CB-CB 4.43Å; Q217-N222 WeakPolarHBondContact O-CA 3.48Å; Q217-N222 WeakPolarHBondContact O-CB 3.29Å; Q217-N222 PolarHBondContact O-N 2.78Å; Q217-N222 VanDerWaalsContact OE1-CB 3.26Å; Q217-N222 PolarHBondContact OE1-ND2 2.64Å; Q217-T226 HydrophobicContact CB-CG2 3.93Å; Q217-T226 WeakPolarHBondContact CB-OG1 3.41Å; Q217-T226 HydrophobicContact CG-CG2 4.23Å
218	V	97.5	Very high	97.1	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-69.1	-41.8	179.9	172.2	0	0	0	0	111	L153 M157 L214 G220 G221	L153-V218 HydrophobicContact CB-CG1 3.92Å; L153-V218 WeakPolarHBondContact O-CG1 3.13Å; M157-V218 HydrophobicContact CB-CG1 3.78Å; M157-V218 HydrophobicContact CE-CB 3.8Å; M157-V218 HydrophobicContact CE-CG1 3.96Å; M157-V218 HydrophobicContact CE-CG2 3.9Å; M157-V218 HydrophobicContact CG-CG1 4.28Å; L214-V218 HydrophobicContact CD1-CG2 3.86Å; L214-V218 HydrophobicContact CG-CG2 4.38Å; L214-V218 WeakPolarHBondContact O-CB 3.03Å; L214-V218 VanDerWaalsContact O-CG2 3.26Å; L214-V218 WeakPolarHBondContact O-CG2 2.95Å; L214-V218 PolarHBondContact O-N 2.7Å; V218-G220 VanDerWaalsContact C-N 3.31Å; V218-G221 PolarHBondContact O-N 3.2Å
219	L	97.1	Very high	97.2	Very high	72 Å²	72	16.1 Å²	16.1	38%	0.377	10%	0.101	S	C	.	.	H	α-helix	trans	-70.6	-28.9	177.4	-66.8	174.1	0	0	0	112.3	M157 R158 M161 E215 G221	M157-L219 HydrophobicContact CG-CD2 4.21Å; M157-L219 HydrophobicContact CG-CG 4.38Å; R158-L219 HydrophobicContact CG-CD2 4.19Å; M161-L219 HydrophobicContact SD-CD1 4.39Å; E215-L219 VanDerWaalsContact O-CB 3.23Å; E215-L219 WeakPolarHBondContact O-CB 3.49Å; E215-L219 WeakPolarHBondContact O-CG 3.29Å; E215-L219 PolarHBondContact O-N 3.28Å; L219-G221 PolarHBondContact O-N 3.2Å
220	G	95.9	Very high	97.3	Very high	52 Å²	52	16.1 Å²	16.1	54%	0.536	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-1.2	172.6	0	0	0	0	0	115.1	D216 Q217 V218	D216-G220 PolarHBondContact O-N 3.34Å; Q217-G220 PolarHBondContact O-N 3Å; V218-G220 VanDerWaalsContact C-N 3.31Å
221	G	96.5	Very high	97.2	Very high	18 Å²	18	16.1 Å²	16.1	19%	0.186	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	35.5	179.1	0	0	0	0	0	114	R145 D150 Q217 V218 L219	R145-G221 PolarHBondContact NE-O 3.19Å; R145-G221 PolarHBondContact NH2-O 3.48Å; D150-G221 VanDerWaalsContact OD2-O 3.14Å; Q217-G221 PolarHBondContact O-N 3.48Å; V218-G221 PolarHBondContact O-N 3.2Å; L219-G221 PolarHBondContact O-N 3.2Å
222	N	96.7	Very high	97	Very high	52 Å²	52	16.1 Å²	16.1	28%	0.278	10%	0.101	S	C	.	.			trans	-122.4	22.2	175.1	-61.4	-32.6	0	0	0	111.6	Q217 S224 V225 T226	Q217-N222 HydrophobicContact CB-CB 4.43Å; Q217-N222 WeakPolarHBondContact O-CA 3.48Å; Q217-N222 WeakPolarHBondContact O-CB 3.29Å; Q217-N222 PolarHBondContact O-N 2.78Å; Q217-N222 VanDerWaalsContact OE1-CB 3.26Å; Q217-N222 PolarHBondContact OE1-ND2 2.64Å; N222-S224 VanDerWaalsContact C-N 3.35Å; N222-S224 PolarHBondContact O-N 3.25Å; N222-V225 HydrophobicContact CB-CG2 3.77Å; N222-V225 VanDerWaalsContact O-CG2 3.26Å; N222-V225 WeakPolarHBondContact O-CG2 3.2Å; N222-V225 PolarHBondContact O-N 3.04Å; N222-T226 WeakPolarHBondContact O-CB 3.34Å; N222-T226 PolarHBondContact O-N 3.39Å; N222-T226 PolarHBondContact O-OG1 3.14Å
223	G	96.4	Very high	96.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	-60.4	-40.6	-177.4	0	0	0	0	0	113.1	D150 V225 T226 H272 G273	D150-G223 WeakPolarHBondContact OD1-CA 3.44Å; D150-G223 PolarHBondContact OD1-N 3.45Å; G223-V225 PolarHBondContact O-N 2.9Å; G223-T226 PolarHBondContact O-N 2.65Å; G223-T226 VanDerWaalsContact O-N 3.14Å; G223-H272 WeakPolarHBondContact O-CB 3.23Å; G223-G273 WeakPolarHBondContact O-CA 3.36Å; G223-G273 PolarHBondContact O-N 3.44Å
224	S	95.5	Very high	95.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-25.5	-179.6	84.9	0	0	0	0	112.7	A144 R145 N146 D150 N222 H272	A144-S224 PolarHBondContact O-OG 3.17Å; R145-S224 VanDerWaalsContact CA-OG 3.3Å; R145-S224 WeakPolarHBondContact CA-OG 3.37Å; N146-S224 PolarHBondContact N-OG 3.48Å; D150-S224 PolarHBondContact OD1-N 2.88Å; N222-S224 VanDerWaalsContact C-N 3.35Å; N222-S224 PolarHBondContact O-N 3.25Å; S224-H272 WeakPolarHBondContact O-CB 3.46Å; S224-H272 PolarHBondContact O-ND1 3.4Å
225	V	95.3	Very high	95.1	Very high	38 Å²	38	25.5 Å²	25.5	23%	0.23	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	10.9	176.4	-62.3	0	0	0	0	112.8	L143 R145 N222 G223 S297	L143-V225 HydrophobicContact CB-CB 4.39Å; L143-V225 HydrophobicContact CB-CG1 4.46Å; L143-V225 WeakPolarHBondContact CD1-O 3.46Å; R145-V225 HydrophobicContact CB-CG1 4.09Å; N222-V225 HydrophobicContact CB-CG2 3.77Å; N222-V225 VanDerWaalsContact O-CG2 3.26Å; N222-V225 WeakPolarHBondContact O-CG2 3.2Å; N222-V225 PolarHBondContact O-N 3.04Å; G223-V225 PolarHBondContact O-N 2.9Å; V225-S297 VanDerWaalsContact O-CB 3.29Å; V225-S297 WeakPolarHBondContact O-CB 3.09Å
226	T	97.1	Very high	94.1	Very high	1 Å²	1	30 Å²	30	1%	0.006	16%	0.161	C	C	.	.			trans	-108.6	114.6	-178.5	-64.2	0	0	0	0	111.4	L214 Q217 N222 G223 I228 H272 G273	L214-T226 HydrophobicContact CD1-CG2 4.04Å; Q217-T226 HydrophobicContact CB-CG2 3.93Å; Q217-T226 WeakPolarHBondContact CB-OG1 3.41Å; Q217-T226 HydrophobicContact CG-CG2 4.23Å; N222-T226 WeakPolarHBondContact O-CB 3.34Å; N222-T226 PolarHBondContact O-N 3.39Å; N222-T226 PolarHBondContact O-OG1 3.14Å; G223-T226 PolarHBondContact O-N 2.65Å; G223-T226 VanDerWaalsContact O-N 3.14Å; T226-I228 HydrophobicContact CG2-CD1 4.23Å; T226-I228 HydrophobicContact CG2-CG1 3.99Å; T226-H272 CarbonylContact O-C 3.51Å; T226-G273 WeakPolarHBondContact O-CA 3.34Å; T226-G273 PolarHBondContact O-N 3.18Å
227	R	96	Very high	93.4	Very high	22 Å²	22	28 Å²	28	8%	0.083	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	117	167.7	-168.4	173.4	-178.9	173.5	-5.3	108.7	L137 N295 S297 H298	L137-R227 PolarHBondContact O-NH1 2.96Å; R227-N295 WeakPolarHBondContact CD-O 3.45Å; R227-S297 PolarHBondContact N-OG 3.11Å; R227-S297 PolarHBondContact O-N 2.96Å; R227-S297 VanDerWaalsContact O-N 3.09Å; R227-S297 PolarHBondContact O-OG 3.31Å; R227-H298 PolarHBondContact O-N 3.37Å
228	I	98.2	Very high	93	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	125	-173.8	-54.1	175.3	0	0	0	108.7	P210 I213 L214 T226 V230 S274 I275 M276 H298 I300	P210-I228 HydrophobicContact CB-CG2 4.45Å; P210-I228 WeakPolarHBondContact O-CD1 3.46Å; I213-I228 HydrophobicContact CB-CD1 3.88Å; I213-I228 HydrophobicContact CG2-CD1 3.61Å; I213-I228 HydrophobicContact CG2-CG1 4.32Å; L214-I228 HydrophobicContact CB-CD1 3.78Å; L214-I228 HydrophobicContact CD1-CD1 4.42Å; T226-I228 HydrophobicContact CG2-CD1 4.23Å; T226-I228 HydrophobicContact CG2-CG1 3.99Å; I228-V230 HydrophobicContact CG2-CG2 4.2Å; I228-S274 PolarHBondContact N-O 2.94Å; I228-I275 HydrophobicContact CB-CG1 4.18Å; I228-I275 HydrophobicContact CD1-CG1 4.17Å; I228-I275 CarbonylContact O-C 3.58Å; I228-I275 WeakPolarHBondContact O-CA 3.42Å; I228-M276 PolarHBondContact O-N 2.93Å; I228-H298 HydrophobicContact CB-CB 4.41Å; I228-H298 HydrophobicContact CG1-CB 4.11Å; I228-H298 HydrophobicContact CG2-CB 4.21Å; I228-I300 HydrophobicContact CG2-CD1 3.89Å; I228-I300 HydrophobicContact CG2-CG1 4.22Å
229	I	97.6	Very high	92.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	129.5	173.2	-53.4	-57.7	0	0	0	108.4	T231 M276 I283 W286 I296 H298 I299 I300	I229-T231 HydrophobicContact CG2-CG2 4.48Å; I229-M276 CarbonylContact C-O 3.59Å; I229-M276 WeakPolarHBondContact CA-O 3.32Å; I229-M276 HydrophobicContact CD1-CB 3.6Å; I229-M276 HydrophobicContact CD1-CG 4.41Å; I229-I283 HydrophobicContact CG2-CD1 4.17Å; I229-W286 HydrophobicContact CD1-CH2 3.96Å; I229-W286 HydrophobicContact CD1-CZ3 3.77Å; I229-W286 HydrophobicContact CG1-CZ3 3.98Å; I229-W286 HydrophobicContact CG2-CH2 4.47Å; I229-W286 HydrophobicContact CG2-CZ3 3.95Å; I229-I296 HydrophobicContact CB-CG2 4.45Å; I229-I296 HydrophobicContact CD1-CD1 4.38Å; I229-I296 HydrophobicContact CD1-CG1 4.32Å; I229-I296 HydrophobicContact CG1-CB 4.4Å; I229-I296 HydrophobicContact CG1-CD1 3.68Å; I229-I296 HydrophobicContact CG1-CG1 3.74Å; I229-I296 HydrophobicContact CG1-CG2 3.72Å; I229-H298 PolarHBondContact N-O 2.86Å; I229-I299 WeakPolarHBondContact O-CA 3.43Å; I229-I300 PolarHBondContact O-N 3.45Å
230	V	98.3	Very high	91.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	113.7	175	-170.6	0	0	0	0	108.2	P210 I228 I275 M276 F277 C278 I300 M333	P210-V230 HydrophobicContact CB-CG2 3.86Å; P210-V230 HydrophobicContact CG-CG2 3.68Å; I228-V230 HydrophobicContact CG2-CG2 4.2Å; V230-I275 HydrophobicContact CG2-CG2 4.04Å; V230-M276 PolarHBondContact N-O 3.17Å; V230-F277 HydrophobicContact CB-CD1 3.62Å; V230-F277 HydrophobicContact CB-CE1 3.64Å; V230-F277 HydrophobicContact CB-CG 4.36Å; V230-F277 HydrophobicContact CB-CZ 4.39Å; V230-F277 HydrophobicContact CG1-CD1 3.81Å; V230-F277 HydrophobicContact CG1-CE1 3.61Å; V230-F277 HydrophobicContact CG2-CD1 4.31Å; V230-F277 HydrophobicContact CG2-CE1 3.92Å; V230-F277 HydrophobicContact CG2-CZ 4.22Å; V230-F277 CarbonylContact O-C 3.56Å; V230-F277 VanDerWaalsContact O-CA 3.31Å; V230-F277 WeakPolarHBondContact O-CA 3.29Å; V230-C278 PolarHBondContact O-N 2.7Å; V230-I300 CarbonylContact C-O 3.56Å; V230-I300 WeakPolarHBondContact CA-O 3.38Å; V230-I300 HydrophobicContact CB-CB 4.43Å; V230-I300 HydrophobicContact CG1-CB 4.2Å; V230-I300 HydrophobicContact CG1-CG2 4.27Å; V230-I300 HydrophobicContact CG2-CB 4.19Å; V230-I300 HydrophobicContact CG2-CD1 4.13Å; V230-I300 HydrophobicContact CG2-CG1 4.42Å; V230-M333 HydrophobicContact CG1-CE 4.43Å
231	T	97.4	Very high	91.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	146.7	177.3	73.6	0	0	0	0	110.5	I229 C278 I283 I300 V301 D302 L314	I229-T231 HydrophobicContact CG2-CG2 4.48Å; T231-C278 CarbonylContact C-O 3.36Å; T231-C278 VanDerWaalsContact CA-O 3.28Å; T231-C278 WeakPolarHBondContact CA-O 3.17Å; T231-I283 HydrophobicContact CG2-CB 4.44Å; T231-I283 HydrophobicContact CG2-CD1 4.22Å; T231-I283 HydrophobicContact CG2-CG2 3.76Å; T231-I300 PolarHBondContact N-O 3.05Å; T231-V301 WeakPolarHBondContact OG1-CA 3.43Å; T231-D302 VanDerWaalsContact O-CB 3.28Å; T231-D302 WeakPolarHBondContact O-CB 3.25Å; T231-D302 PolarHBondContact O-N 3.07Å; T231-L314 HydrophobicContact CG2-CD2 3.75Å
232	Q	93	Very high	91.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	138.7	174.6	-71.9	-69.8	-35.2	0	0	108.1	R234 A238 I241 C278 T279 T280 D302	Q232-R234 PolarHBondContact O-N 3.09Å; Q232-A238 HydrophobicContact CB-CB 4.05Å; Q232-A238 HydrophobicContact CG-CB 4.32Å; Q232-I241 HydrophobicContact CG-CD1 4.23Å; Q232-C278 PolarHBondContact N-O 2.79Å; Q232-T279 WeakPolarHBondContact O-CA 3.24Å; Q232-T280 PolarHBondContact O-N 2.97Å; Q232-T280 VanDerWaalsContact O-N 3.13Å; Q232-T280 PolarHBondContact O-OG1 3.48Å; Q232-D302 PolarHBondContact NE2-OD2 3.01Å
233	P	88.3	Confident	91.3	Very high	16 Å²	16	26.3 Å²	26.3	10%	0.104	13%	0.128	C	C	.	.	S	Bend	trans	-63.2	-29.5	175.8	23.7	-32.3	0	0	0	111.5	E303 E308	P233-E303 HydrophobicContact CG-CB 3.93Å; P233-E303 HydrophobicContact CG-CG 4.39Å; P233-E308 VanDerWaalsContact CA-OE2 3.24Å; P233-E308 WeakPolarHBondContact CA-OE2 3.42Å; P233-E308 WeakPolarHBondContact CB-OE2 3.39Å
234	R	84.5	Confident	91	Very high	75 Å²	75	30.9 Å²	30.9	28%	0.283	15%	0.145	S	C	.	.	S	Bend	trans	-119.1	136.4	-166.8	-59.3	172.5	-171.4	-105.5	-5.7	112.5	Q232 I236 S237 A238 E306 T535 S536	Q232-R234 PolarHBondContact O-N 3.09Å; R234-I236 PolarHBondContact O-N 3.49Å; R234-S237 WeakPolarHBondContact O-CB 3.12Å; R234-S237 PolarHBondContact O-N 3.39Å; R234-A238 PolarHBondContact O-N 2.95Å; R234-E306 IonicContact CZ-OE1 3.41Å; R234-E306 IonicContact CZ-OE2 3.69Å; R234-E306 IonicContact NE-OE1 3.32Å; R234-E306 PolarHBondContact NE-OE1 3.14Å; R234-E306 IonicContact NE-OE2 2.85Å; R234-E306 PolarHBondContact NE-OE2 3.45Å; R234-E306 IonicContact NH2-OE1 2.69Å; R234-E306 IonicContact NH2-OE2 3.89Å; R234-E306 PolarHBondContact NH2-OE2 3.33Å; R234-T535 PolarHBondContact NE-OG1 3.19Å; R234-T535 VanDerWaalsContact NE-OG1 3.1Å; R234-S536 WeakPolarHBondContact CD-OG 3.27Å; R234-S536 PolarHBondContact NE-OG 3.06Å
235	R	82.3	Confident	91	Very high	110 Å²	110	30.9 Å²	30.9	42%	0.415	15%	0.145	S	C	.	.	H	α-helix	trans	-53.5	-50.5	176.7	172.8	171.2	177.4	-169.7	4.4	113	S237 A238 V239 V261 E264 T279	R235-S237 VanDerWaalsContact C-N 3.27Å; R235-S237 PolarHBondContact O-N 2.94Å; R235-A238 PolarHBondContact O-N 3.33Å; R235-V239 WeakPolarHBondContact O-CG2 3.44Å; R235-V239 PolarHBondContact O-N 3.39Å; R235-V239 VanDerWaalsContact O-N 3.1Å; R235-V261 HydrophobicContact CB-CB 4.45Å; R235-V261 HydrophobicContact CB-CG1 4.44Å; R235-V261 HydrophobicContact CG-CB 3.86Å; R235-V261 HydrophobicContact CG-CG1 4.02Å; R235-V261 HydrophobicContact CG-CG2 3.78Å; R235-E264 IonicContact CZ-OE2 3.62Å; R235-E264 IonicContact NE-OE2 3.44Å; R235-E264 IonicContact NH2-OE2 2.94Å; R235-E264 PolarHBondContact NH2-OE2 3.46Å; R235-T279 HydrophobicContact CB-CG2 4.27Å
236	I	76.8	Confident	91	Very high	97 Å²	97	29.1 Å²	29.1	50%	0.497	14%	0.135	S	C	.	.	H	α-helix	trans	-61.4	-39.5	-177.4	-63.8	171.6	0	0	0	110.6	R234 S240	R234-I236 PolarHBondContact O-N 3.49Å; I236-S240 VanDerWaalsContact O-CB 3.27Å; I236-S240 WeakPolarHBondContact O-CB 3.22Å; I236-S240 PolarHBondContact O-N 3.25Å; I236-S240 PolarHBondContact O-OG 3.22Å
237	S	84.2	Confident	90.8	Very high	8 Å²	8	32.8 Å²	32.8	6%	0.056	16%	0.157	C	C	.	.	H	α-helix	trans	-62.1	-52.3	175.6	-57.8	0	0	0	0	110.7	R234 R235 V239 S240 I241	R234-S237 WeakPolarHBondContact O-CB 3.12Å; R234-S237 PolarHBondContact O-N 3.39Å; R235-S237 VanDerWaalsContact C-N 3.27Å; R235-S237 PolarHBondContact O-N 2.94Å; S237-V239 VanDerWaalsContact C-N 3.34Å; S237-V239 PolarHBondContact O-N 3.34Å; S237-S240 PolarHBondContact O-N 2.93Å; S237-S240 PolarHBondContact O-OG 3.3Å; S237-I241 WeakPolarHBondContact O-CB 3.26Å; S237-I241 VanDerWaalsContact O-CD1 3.24Å; S237-I241 WeakPolarHBondContact O-CD1 3.04Å; S237-I241 WeakPolarHBondContact O-CG1 3.31Å; S237-I241 PolarHBondContact O-N 2.87Å
238	A	89.2	Confident	90.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-53.7	-47.9	179.6	0	0	0	0	0	112.9	Q232 R234 R235 A242 V261 F277	Q232-A238 HydrophobicContact CB-CB 4.05Å; Q232-A238 HydrophobicContact CG-CB 4.32Å; R234-A238 PolarHBondContact O-N 2.95Å; R235-A238 PolarHBondContact O-N 3.33Å; A238-A242 WeakPolarHBondContact O-CB 3.44Å; A238-A242 PolarHBondContact O-N 3.43Å; A238-A242 VanDerWaalsContact O-N 3.16Å; A238-V261 HydrophobicContact CB-CG1 3.64Å; A238-F277 HydrophobicContact CB-CB 4.46Å; A238-F277 WeakPolarHBondContact O-CB 3.27Å
239	V	87.2	Confident	90.6	Very high	20 Å²	20	31.8 Å²	31.8	12%	0.121	15%	0.153	C	C	.	.	H	α-helix	trans	-67.2	-54.8	-179.7	179.6	0	0	0	0	111.2	R235 S237 I241 A242 E243 Y259 V261	R235-V239 WeakPolarHBondContact O-CG2 3.44Å; R235-V239 PolarHBondContact O-N 3.39Å; R235-V239 VanDerWaalsContact O-N 3.1Å; S237-V239 VanDerWaalsContact C-N 3.34Å; S237-V239 PolarHBondContact O-N 3.34Å; V239-I241 VanDerWaalsContact C-N 3.31Å; V239-I241 PolarHBondContact O-N 2.88Å; V239-A242 PolarHBondContact O-N 2.97Å; V239-E243 WeakPolarHBondContact O-CG 3.44Å; V239-E243 PolarHBondContact O-N 2.9Å; V239-Y259 HydrophobicContact CG1-CD1 4.4Å; V239-Y259 HydrophobicContact CG1-CE1 4Å; V239-Y259 HydrophobicContact CG1-CE2 4.34Å; V239-Y259 HydrophobicContact CG2-CD2 3.75Å; V239-Y259 HydrophobicContact CG2-CE2 3.7Å; V239-Y259 HydrophobicContact CG2-CG 4.26Å; V239-V261 HydrophobicContact CG2-CG1 3.96Å; V239-V261 HydrophobicContact CG2-CG2 4.09Å
240	S	83.5	Confident	90.4	Very high	45 Å²	45	33.3 Å²	33.3	32%	0.315	17%	0.169	S	C	.	.	H	α-helix	trans	-66.8	-31.7	-174.4	62.3	0	0	0	0	113.3	I236 S237 R244	I236-S240 VanDerWaalsContact O-CB 3.27Å; I236-S240 WeakPolarHBondContact O-CB 3.22Å; I236-S240 PolarHBondContact O-N 3.25Å; I236-S240 PolarHBondContact O-OG 3.22Å; S237-S240 PolarHBondContact O-N 2.93Å; S237-S240 PolarHBondContact O-OG 3.3Å; S240-R244 VanDerWaalsContact O-CB 3.24Å; S240-R244 WeakPolarHBondContact O-CB 3.27Å; S240-R244 PolarHBondContact O-N 2.92Å
241	I	90.8	Very high	90.3	Very high	24 Å²	24	35.5 Å²	35.5	12%	0.123	18%	0.179	C	C	.	.	H	α-helix	trans	-73.2	-41.1	176.5	-64.4	163.1	0	0	0	110	T206 Q232 S237 V239 E243 R244 V245 F277	T206-I241 HydrophobicContact CG2-CD1 3.65Å; T206-I241 HydrophobicContact CG2-CG1 4.34Å; T206-I241 HydrophobicContact CG2-CG2 3.85Å; Q232-I241 HydrophobicContact CG-CD1 4.23Å; S237-I241 WeakPolarHBondContact O-CB 3.26Å; S237-I241 VanDerWaalsContact O-CD1 3.24Å; S237-I241 WeakPolarHBondContact O-CD1 3.04Å; S237-I241 WeakPolarHBondContact O-CG1 3.31Å; S237-I241 PolarHBondContact O-N 2.87Å; V239-I241 VanDerWaalsContact C-N 3.31Å; V239-I241 PolarHBondContact O-N 2.88Å; I241-E243 VanDerWaalsContact C-N 3.32Å; I241-E243 PolarHBondContact O-N 3.44Å; I241-R244 PolarHBondContact O-N 3.06Å; I241-V245 HydrophobicContact CG2-CG2 4.17Å; I241-V245 WeakPolarHBondContact O-CB 2.95Å; I241-V245 WeakPolarHBondContact O-CG2 3.14Å; I241-V245 PolarHBondContact O-N 3.3Å; I241-F277 HydrophobicContact CB-CD1 4.29Å; I241-F277 HydrophobicContact CB-CE1 4.29Å; I241-F277 HydrophobicContact CG2-CD1 3.76Å; I241-F277 HydrophobicContact CG2-CE1 3.29Å; I241-F277 HydrophobicContact CG2-CE2 4.32Å; I241-F277 HydrophobicContact CG2-CG 4.46Å; I241-F277 HydrophobicContact CG2-CZ 3.62Å
242	A	94.4	Very high	90.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59	-45	173.1	0	0	0	0	0	111.7	A238 V239 V245 A246 V257 Y259 F277	A238-A242 WeakPolarHBondContact O-CB 3.44Å; A238-A242 PolarHBondContact O-N 3.43Å; A238-A242 VanDerWaalsContact O-N 3.16Å; V239-A242 PolarHBondContact O-N 2.97Å; A242-V245 PolarHBondContact O-N 3.23Å; A242-A246 VanDerWaalsContact O-CB 3.31Å; A242-A246 WeakPolarHBondContact O-CB 3.33Å; A242-A246 PolarHBondContact O-N 2.81Å; A242-V257 HydrophobicContact CB-CG1 4.24Å; A242-Y259 HydrophobicContact CB-CD1 3.97Å; A242-Y259 HydrophobicContact CB-CG 4.36Å; A242-F277 HydrophobicContact CB-CB 4.11Å; A242-F277 HydrophobicContact CB-CD2 3.66Å; A242-F277 HydrophobicContact CB-CG 4.15Å
243	E	91.9	Very high	90.1	Very high	96 Å²	96	39.3 Å²	39.3	45%	0.449	21%	0.205	S	C	.	.	H	α-helix	trans	-59.9	-44.8	173.9	-71.6	177	162.5	0	0	112.5	V239 I241 T247 V253	V239-E243 WeakPolarHBondContact O-CG 3.44Å; V239-E243 PolarHBondContact O-N 2.9Å; I241-E243 VanDerWaalsContact C-N 3.32Å; I241-E243 PolarHBondContact O-N 3.44Å; E243-T247 WeakPolarHBondContact O-CB 3.18Å; E243-T247 PolarHBondContact O-N 3.02Å; E243-T247 PolarHBondContact O-OG1 3.13Å; E243-V253 HydrophobicContact CB-CG2 4.02Å; E243-V253 HydrophobicContact CG-CG2 3.59Å
244	R	88.9	Confident	90.4	Very high	97 Å²	97	38.8 Å²	38.8	37%	0.366	20%	0.203	S	C	.	.	H	α-helix	trans	-63	-47.7	178	174.9	57.5	-175.5	-120.3	-3.1	112	T207 S240 I241 T247 E248	T207-R244 HydrophobicContact CG2-CG 4.23Å; S240-R244 VanDerWaalsContact O-CB 3.24Å; S240-R244 WeakPolarHBondContact O-CB 3.27Å; S240-R244 PolarHBondContact O-N 2.92Å; I241-R244 PolarHBondContact O-N 3.06Å; R244-T247 WeakPolarHBondContact O-CB 3.3Å; R244-T247 PolarHBondContact O-N 3.43Å; R244-E248 IonicContact CZ-OE1 3.25Å; R244-E248 VanDerWaalsContact CZ-OE1 3.3Å; R244-E248 IonicContact NE-OE1 2.76Å; R244-E248 PolarHBondContact NE-OE1 3.31Å; R244-E248 IonicContact NH2-OE1 3.76Å; R244-E248 PolarHBondContact NH2-OE1 3.5Å; R244-E248 WeakPolarHBondContact O-CG 3.41Å; R244-E248 PolarHBondContact O-N 3.29Å
245	V	95.4	Very high	90.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-68.6	-38.7	-178.5	172.9	0	0	0	0	110.8	T207 Q211 I241 A242 T247 E248 R249 V257 F277	T207-V245 HydrophobicContact CG2-CG2 4.19Å; Q211-V245 HydrophobicContact CG-CG1 3.66Å; I241-V245 HydrophobicContact CG2-CG2 4.17Å; I241-V245 WeakPolarHBondContact O-CB 2.95Å; I241-V245 WeakPolarHBondContact O-CG2 3.14Å; I241-V245 PolarHBondContact O-N 3.3Å; A242-V245 PolarHBondContact O-N 3.23Å; V245-T247 VanDerWaalsContact C-N 3.32Å; V245-T247 PolarHBondContact O-N 3.31Å; V245-E248 PolarHBondContact O-N 3.35Å; V245-R249 VanDerWaalsContact O-CG 3.27Å; V245-R249 WeakPolarHBondContact O-CG 3.47Å; V245-R249 PolarHBondContact O-N 3.37Å; V245-R249 VanDerWaalsContact O-N 3.11Å; V245-V257 HydrophobicContact CB-CG1 4.36Å; V245-V257 HydrophobicContact CG1-CG1 4.27Å; V245-V257 HydrophobicContact CG1-CG2 3.99Å; V245-F277 HydrophobicContact CB-CE2 4.12Å; V245-F277 HydrophobicContact CB-CZ 4.38Å; V245-F277 HydrophobicContact CG1-CE2 4.34Å; V245-F277 HydrophobicContact CG2-CE2 4.12Å; V245-F277 HydrophobicContact CG2-CZ 3.88Å
246	A	95.8	Very high	91.5	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.008	18%	0.181	C	C	.	.	H	α-helix	trans	-59.3	-45	171.1	0	0	0	0	0	111.5	A242 R249 G250 Q251 V253 V257	A242-A246 VanDerWaalsContact O-CB 3.31Å; A242-A246 WeakPolarHBondContact O-CB 3.33Å; A242-A246 PolarHBondContact O-N 2.81Å; A246-R249 CarbonylContact O-C 3.49Å; A246-R249 WeakPolarHBondContact O-CA 3.4Å; A246-R249 WeakPolarHBondContact O-CB 3.5Å; A246-R249 PolarHBondContact O-N 3.12Å; A246-R249 VanDerWaalsContact O-N 3.09Å; A246-G250 PolarHBondContact O-N 3.21Å; A246-Q251 CarbonylContact C-O 3.6Å; A246-Q251 CarbonylContact O-C 3.52Å; A246-Q251 PolarHBondContact O-N 2.99Å; A246-V253 HydrophobicContact CB-CB 4.47Å; A246-V253 HydrophobicContact CB-CG2 3.76Å; A246-V257 HydrophobicContact CB-CB 4.19Å
247	T	93.7	Very high	92.5	Very high	78 Å²	78	27 Å²	27	48%	0.479	16%	0.157	S	C	.	.	H	α-helix	trans	-62.4	-43.6	177.1	-56.5	0	0	0	0	112	M169 E243 R244 V245 R249 G250	M169-T247 HydrophobicContact CE-CG2 4.49Å; E243-T247 WeakPolarHBondContact O-CB 3.18Å; E243-T247 PolarHBondContact O-N 3.02Å; E243-T247 PolarHBondContact O-OG1 3.13Å; R244-T247 WeakPolarHBondContact O-CB 3.3Å; R244-T247 PolarHBondContact O-N 3.43Å; V245-T247 VanDerWaalsContact C-N 3.32Å; V245-T247 PolarHBondContact O-N 3.31Å; T247-R249 PolarHBondContact O-N 3.49Å; T247-G250 PolarHBondContact O-N 3.37Å
248	E	94.2	Very high	93.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-59.3	-28.1	174.8	-80.4	-179.3	-170.6	0	0	112.8	M169 Q208 Q211 R244 V245 G250	M169-E248 WeakPolarHBondContact CB-O 3.29Å; M169-E248 HydrophobicContact CE-CB 4.34Å; M169-E248 HydrophobicContact CE-CG 3.49Å; M169-E248 VanDerWaalsContact CE-CG 3.49Å; Q208-E248 PolarHBondContact NE2-OE2 2.79Å; Q211-E248 PolarHBondContact NE2-OE2 3.41Å; R244-E248 IonicContact CZ-OE1 3.25Å; R244-E248 VanDerWaalsContact CZ-OE1 3.3Å; R244-E248 IonicContact NE-OE1 2.76Å; R244-E248 PolarHBondContact NE-OE1 3.31Å; R244-E248 IonicContact NH2-OE1 3.76Å; R244-E248 PolarHBondContact NH2-OE1 3.5Å; R244-E248 WeakPolarHBondContact O-CG 3.41Å; R244-E248 PolarHBondContact O-N 3.29Å; V245-E248 PolarHBondContact O-N 3.35Å; E248-G250 VanDerWaalsContact C-N 3.32Å
249	R	95	Very high	93.3	Very high	1 Å²	1	27.3 Å²	27.3	0%	0.004	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	1.2	174.9	-63.5	175.2	65.3	69.1	6.6	113.3	M157 C160 V245 A246 T247 Q251 S256	M157-R249 PolarHBondContact SD-NH2 3.4Å; C160-R249 PolarHBondContact SG-O 3.17Å; V245-R249 VanDerWaalsContact O-CG 3.27Å; V245-R249 WeakPolarHBondContact O-CG 3.47Å; V245-R249 PolarHBondContact O-N 3.37Å; V245-R249 VanDerWaalsContact O-N 3.11Å; A246-R249 CarbonylContact O-C 3.49Å; A246-R249 WeakPolarHBondContact O-CA 3.4Å; A246-R249 WeakPolarHBondContact O-CB 3.5Å; A246-R249 PolarHBondContact O-N 3.12Å; A246-R249 VanDerWaalsContact O-N 3.09Å; T247-R249 PolarHBondContact O-N 3.49Å; R249-Q251 VanDerWaalsContact C-N 3.27Å; R249-Q251 HydrophobicContact CB-CG 4.38Å; R249-Q251 PolarHBondContact O-N 2.85Å; R249-S256 PolarHBondContact NE-OG 3.36Å
250	G	94.3	Very high	93.6	Very high	32 Å²	32	27 Å²	27	33%	0.33	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	26.4	-175.1	0	0	0	0	0	113.6	A246 T247 E248	A246-G250 PolarHBondContact O-N 3.21Å; T247-G250 PolarHBondContact O-N 3.37Å; E248-G250 VanDerWaalsContact C-N 3.32Å
251	Q	95	Very high	93.7	Very high	45 Å²	45	25 Å²	25	21%	0.21	14%	0.14	C	C	.	.	S	Bend	trans	-126	165.3	-175.3	-63.7	-177.1	-7.5	0	0	111.9	C160 A246 R249 S256	C160-Q251 PolarHBondContact SG-NE2 2.72Å; A246-Q251 CarbonylContact C-O 3.6Å; A246-Q251 CarbonylContact O-C 3.52Å; A246-Q251 PolarHBondContact O-N 2.99Å; R249-Q251 VanDerWaalsContact C-N 3.27Å; R249-Q251 HydrophobicContact CB-CG 4.38Å; R249-Q251 PolarHBondContact O-N 2.85Å; Q251-S256 PolarHBondContact OE1-OG 2.9Å
252	S	94.1	Very high	92.8	Very high	66 Å²	66	28.5 Å²	28.5	46%	0.462	15%	0.152	S	C	.	.			trans	-85.5	151.2	166	58.5	0	0	0	0	111.4	G254 S255	S252-G254 PolarHBondContact O-N 3.16Å; S252-S255 WeakPolarHBondContact O-CB 3.39Å; S252-S255 PolarHBondContact O-N 3.29Å; S252-S255 VanDerWaalsContact O-N 3.15Å; S252-S255 PolarHBondContact O-OG 3.34Å; S252-S255 PolarHBondContact OG-OG 2.92Å
253	V	93.7	Very high	91.7	Very high	14 Å²	14	32.7 Å²	32.7	9%	0.085	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	138.5	166.3	-174.9	0	0	0	0	109.4	E243 A246 Y259 R266	E243-V253 HydrophobicContact CB-CG2 4.02Å; E243-V253 HydrophobicContact CG-CG2 3.59Å; A246-V253 HydrophobicContact CB-CB 4.47Å; A246-V253 HydrophobicContact CB-CG2 3.76Å; V253-Y259 HydrophobicContact CG1-CD1 3.76Å; V253-Y259 HydrophobicContact CG1-CE1 3.95Å; V253-R266 HydrophobicContact CG1-CB 4.14Å; V253-R266 HydrophobicContact CG1-CG 3.93Å; V253-R266 VanDerWaalsContact O-CZ 3.24Å; V253-R266 PolarHBondContact O-NE 3.01Å; V253-R266 PolarHBondContact O-NH2 3.18Å; V253-R266 VanDerWaalsContact O-NH2 3.09Å
254	G	93.6	Very high	91	Very high	6 Å²	6	30.8 Å²	30.8	6%	0.062	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.9	-6.4	-172.8	0	0	0	0	0	114.2	S252 V257 Y267 P268 Q269	S252-G254 PolarHBondContact O-N 3.16Å; G254-V257 PolarHBondContact N-O 3.4Å; G254-Y267 VanDerWaalsContact CA-O 3.22Å; G254-Y267 WeakPolarHBondContact CA-O 3.05Å; G254-P268 CarbonylContact O-C 3.46Å; G254-P268 WeakPolarHBondContact O-CA 3.44Å; G254-Q269 VanDerWaalsContact O-CG 3.29Å; G254-Q269 WeakPolarHBondContact O-CG 3.49Å; G254-Q269 PolarHBondContact O-N 3.29Å
255	S	94.2	Very high	90.9	Very high	33 Å²	33	30.7 Å²	30.7	23%	0.231	17%	0.165	C	C	.	.	S	Bend	trans	-79.5	-91.8	171.9	-58.6	0	0	0	0	110.9	S252 P268 Q269	S252-S255 WeakPolarHBondContact O-CB 3.39Å; S252-S255 PolarHBondContact O-N 3.29Å; S252-S255 VanDerWaalsContact O-N 3.15Å; S252-S255 PolarHBondContact O-OG 3.34Å; S252-S255 PolarHBondContact OG-OG 2.92Å; S255-P268 WeakPolarHBondContact O-CA 3.32Å; S255-P268 WeakPolarHBondContact O-CB 2.99Å; S255-Q269 PolarHBondContact O-N 3Å
256	S	95.7	Very high	90.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-99.1	-7.2	171.8	78.6	0	0	0	0	114.2	R249 Q251 S274 I275	R249-S256 PolarHBondContact NE-OG 3.36Å; Q251-S256 PolarHBondContact OE1-OG 2.9Å; S256-S274 WeakPolarHBondContact O-CA 3.41Å; S256-I275 PolarHBondContact O-N 3.47Å
257	V	97.6	Very high	90.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	130.5	-176.4	-176.9	0	0	0	0	108.2	A242 V245 A246 G254 I275 F277	A242-V257 HydrophobicContact CB-CG1 4.24Å; V245-V257 HydrophobicContact CB-CG1 4.36Å; V245-V257 HydrophobicContact CG1-CG1 4.27Å; V245-V257 HydrophobicContact CG1-CG2 3.99Å; A246-V257 HydrophobicContact CB-CB 4.19Å; G254-V257 PolarHBondContact N-O 3.4Å; V257-I275 CarbonylContact C-O 3.56Å; V257-I275 VanDerWaalsContact CA-O 3.3Å; V257-I275 WeakPolarHBondContact CA-O 3.42Å; V257-I275 HydrophobicContact CG2-CB 4.48Å; V257-F277 HydrophobicContact CG1-CD2 4.04Å; V257-F277 HydrophobicContact CG1-CE2 3.9Å
258	G	96.1	Very high	90.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	177.4	177.9	0	0	0	0	0	112.1	R266 I275 F277	G258-R266 CarbonylContact C-O 3.58Å; G258-R266 WeakPolarHBondContact CA-O 3.08Å; G258-I275 PolarHBondContact N-O 3.48Å; G258-F277 PolarHBondContact O-N 3.03Å
259	Y	95	Very high	90.2	Very high	16 Å²	16	44.1 Å²	44.1	6%	0.063	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	155.7	166.9	67.1	-92.6	0	0	0	112.9	V239 A242 V253 V261 E264 R265 R266 F277	V239-Y259 HydrophobicContact CG1-CD1 4.4Å; V239-Y259 HydrophobicContact CG1-CE1 4Å; V239-Y259 HydrophobicContact CG1-CE2 4.34Å; V239-Y259 HydrophobicContact CG2-CD2 3.75Å; V239-Y259 HydrophobicContact CG2-CE2 3.7Å; V239-Y259 HydrophobicContact CG2-CG 4.26Å; A242-Y259 HydrophobicContact CB-CD1 3.97Å; A242-Y259 HydrophobicContact CB-CG 4.36Å; V253-Y259 HydrophobicContact CG1-CD1 3.76Å; V253-Y259 HydrophobicContact CG1-CE1 3.95Å; Y259-V261 HydrophobicContact CD2-CG1 4.36Å; Y259-V261 HydrophobicContact CD2-CG2 4.37Å; Y259-V261 HydrophobicContact CE2-CG2 4.39Å; Y259-E264 HydrophobicContact CE2-CG 3.96Å; Y259-E264 WeakPolarHBondContact CE2-OE1 3.19Å; Y259-E264 PolarHBondContact OH-OE1 2.96Å; Y259-R265 WeakPolarHBondContact O-CA 3.46Å; Y259-R266 HydrophobicContact CD1-CB 4.14Å; Y259-R266 HydrophobicContact CE1-CB 3.71Å; Y259-R266 PolarHBondContact N-O 3.47Å; Y259-R266 PolarHBondContact O-N 3.28Å; Y259-F277 CarbonylContact C-O 3.53Å; Y259-F277 WeakPolarHBondContact CA-O 3.49Å; Y259-F277 VanDerWaalsContact CB-O 3.3Å; Y259-F277 WeakPolarHBondContact CB-O 3.44Å
260	Q	93.2	Very high	89.8	Confident	13 Å²	13	46.1 Å²	46.1	6%	0.061	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	119.5	164.6	-176.8	171	-0.1	0	0	109.7	R265 Y267 F277 C278 T279 I282 W286	Q260-R265 HydrophobicContact CB-CB 4.3Å; Q260-R265 HydrophobicContact CG-CB 4.07Å; Q260-Y267 HydrophobicContact CB-CE1 4.19Å; Q260-Y267 PolarHBondContact NE2-OH 3.41Å; Q260-Y267 VanDerWaalsContact OE1-CE1 3.24Å; Q260-Y267 PolarHBondContact OE1-OH 3.05Å; Q260-F277 PolarHBondContact N-O 3.33Å; Q260-C278 HydrophobicContact CB-CB 4.4Å; Q260-C278 WeakPolarHBondContact O-CA 3.29Å; Q260-C278 WeakPolarHBondContact O-CB 3.3Å; Q260-T279 PolarHBondContact O-N 2.87Å; Q260-I282 HydrophobicContact CB-CG2 4.16Å; Q260-I282 HydrophobicContact CG-CD1 4.04Å; Q260-I282 HydrophobicContact CG-CG1 4.16Å; Q260-I282 HydrophobicContact CG-CG2 3.74Å; Q260-W286 VanDerWaalsContact OE1-CZ2 3.29Å
261	V	84.4	Confident	89.1	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.012	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	175.9	170.4	-58.3	0	0	0	0	107.7	R235 A238 V239 Y259 L263 E264 T279	R235-V261 HydrophobicContact CB-CB 4.45Å; R235-V261 HydrophobicContact CB-CG1 4.44Å; R235-V261 HydrophobicContact CG-CB 3.86Å; R235-V261 HydrophobicContact CG-CG1 4.02Å; R235-V261 HydrophobicContact CG-CG2 3.78Å; A238-V261 HydrophobicContact CB-CG1 3.64Å; V239-V261 HydrophobicContact CG2-CG1 3.96Å; V239-V261 HydrophobicContact CG2-CG2 4.09Å; Y259-V261 HydrophobicContact CD2-CG1 4.36Å; Y259-V261 HydrophobicContact CD2-CG2 4.37Å; Y259-V261 HydrophobicContact CE2-CG2 4.39Å; V261-L263 PolarHBondContact O-N 3.38Å; V261-E264 CarbonylContact C-O 3.35Å; V261-E264 HydrophobicContact CG2-CB 3.77Å; V261-E264 HydrophobicContact CG2-CG 4.49Å; V261-E264 WeakPolarHBondContact CG2-O 3.28Å; V261-E264 PolarHBondContact N-O 3.36Å; V261-E264 PolarHBondContact O-N 3.07Å; V261-T279 HydrophobicContact CB-CG2 4.35Å; V261-T279 HydrophobicContact CG1-CG2 4.03Å
262	R	72.5	Confident	88.8	Confident	98 Å²	98	46.8 Å²	46.8	37%	0.37	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	128.9	178.3	-179.3	159.3	-147.5	122.8	6.7	111.6	E264 P737	R262-E264 PolarHBondContact O-N 2.8Å; R262-E264 VanDerWaalsContact O-N 3.07Å; R262-P737 VanDerWaalsContact NH1-CA 3.27Å; R262-P737 VanDerWaalsContact NH2-CA 3.29Å; R262-P737 VanDerWaalsContact NH2-N 3.11Å
263	L	70.8	Confident	88.9	Confident	88 Å²	88	43.6 Å²	43.6	46%	0.461	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	10.5	176.7	-60.4	163.1	0	0	0	114.9	V261 D838 L842	V261-L263 PolarHBondContact O-N 3.38Å; L263-D838 HydrophobicContact CD1-CB 3.77Å; L263-L842 HydrophobicContact CD2-CD2 4.21Å; L263-L842 HydrophobicContact CD2-CG 4.41Å
264	E	77.5	Confident	89	Confident	57 Å²	57	43 Å²	43	27%	0.266	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	129.5	-177.8	-172	-165.2	156.4	0	0	109.7	R235 Y259 V261 R262	R235-E264 IonicContact CZ-OE2 3.62Å; R235-E264 IonicContact NE-OE2 3.44Å; R235-E264 IonicContact NH2-OE2 2.94Å; R235-E264 PolarHBondContact NH2-OE2 3.46Å; Y259-E264 HydrophobicContact CE2-CG 3.96Å; Y259-E264 WeakPolarHBondContact CE2-OE1 3.19Å; Y259-E264 PolarHBondContact OH-OE1 2.96Å; V261-E264 CarbonylContact C-O 3.35Å; V261-E264 HydrophobicContact CG2-CB 3.77Å; V261-E264 HydrophobicContact CG2-CG 4.49Å; V261-E264 WeakPolarHBondContact CG2-O 3.28Å; V261-E264 PolarHBondContact N-O 3.36Å; V261-E264 PolarHBondContact O-N 3.07Å; R262-E264 PolarHBondContact O-N 2.8Å; R262-E264 VanDerWaalsContact O-N 3.07Å
265	R	86.5	Confident	89.2	Confident	94 Å²	94	42.7 Å²	42.7	36%	0.355	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	151.1	-178.3	66.8	-171.8	-176.1	-171.7	-10.1	111.4	D132 P133 D134 Y259 Q260 Y267	D132-R265 IonicContact OD1-NH1 2.95Å; P133-R265 VanDerWaalsContact CG-NH2 3.3Å; D134-R265 IonicContact OD1-CZ 2.68Å; D134-R265 IonicContact OD1-NH1 3.45Å; D134-R265 PolarHBondContact OD1-NH1 3.1Å; Y259-R265 WeakPolarHBondContact O-CA 3.46Å; Q260-R265 HydrophobicContact CB-CB 4.3Å; Q260-R265 HydrophobicContact CG-CB 4.07Å; R265-Y267 VanDerWaalsContact CD-CE2 3.49Å; R265-Y267 HydrophobicContact CG-CE2 4.31Å; R265-Y267 PolarHBondContact NH1-OH 3.27Å
266	R	91.8	Very high	89.4	Confident	125 Å²	125	41.3 Å²	41.3	47%	0.472	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	91.9	170.6	-168.5	165.7	178.3	157.2	0.2	108.4	V253 G258 Y259	V253-R266 HydrophobicContact CG1-CB 4.14Å; V253-R266 HydrophobicContact CG1-CG 3.93Å; V253-R266 VanDerWaalsContact O-CZ 3.24Å; V253-R266 PolarHBondContact O-NE 3.01Å; V253-R266 PolarHBondContact O-NH2 3.18Å; V253-R266 VanDerWaalsContact O-NH2 3.09Å; G258-R266 CarbonylContact C-O 3.58Å; G258-R266 WeakPolarHBondContact CA-O 3.08Å; Y259-R266 HydrophobicContact CD1-CB 4.14Å; Y259-R266 HydrophobicContact CE1-CB 3.71Å; Y259-R266 PolarHBondContact N-O 3.47Å; Y259-R266 PolarHBondContact O-N 3.28Å
267	Y	92.5	Very high	89.4	Confident	59 Å²	59	41.3 Å²	41.3	23%	0.231	18%	0.182	C	C	.	.			trans	-73.1	148.6	-177.9	-65	-45.4	0	0	0	112.3	D134 G254 Q260 R265 M276	D134-Y267 PolarHBondContact OD1-OH 3.03Å; G254-Y267 VanDerWaalsContact CA-O 3.22Å; G254-Y267 WeakPolarHBondContact CA-O 3.05Å; Q260-Y267 HydrophobicContact CB-CE1 4.19Å; Q260-Y267 PolarHBondContact NE2-OH 3.41Å; Q260-Y267 VanDerWaalsContact OE1-CE1 3.24Å; Q260-Y267 PolarHBondContact OE1-OH 3.05Å; R265-Y267 VanDerWaalsContact CD-CE2 3.49Å; R265-Y267 HydrophobicContact CG-CE2 4.31Å; R265-Y267 PolarHBondContact NH1-OH 3.27Å; Y267-M276 HydrophobicContact CD1-CE 3.42Å; Y267-M276 VanDerWaalsContact CD1-CE 3.42Å; Y267-M276 HydrophobicContact CD1-SD 3.75Å; Y267-M276 HydrophobicContact CE1-CE 4.05Å; Y267-M276 HydrophobicContact CE1-SD 4.29Å; Y267-M276 HydrophobicContact CG-CE 4.34Å
268	P	92.8	Very high	89.3	Confident	5 Å²	5	41.3 Å²	41.3	3%	0.032	18%	0.182	C	C	.	.			trans	-55.5	137	161.1	-17.1	31.4	0	0	0	109.5	G254 S255 R270 M276	G254-P268 CarbonylContact O-C 3.46Å; G254-P268 WeakPolarHBondContact O-CA 3.44Å; S255-P268 WeakPolarHBondContact O-CA 3.32Å; S255-P268 WeakPolarHBondContact O-CB 2.99Å; P268-R270 PolarHBondContact O-N 3.45Å; P268-M276 HydrophobicContact CG-CE 3.94Å; P268-M276 HydrophobicContact CG-SD 4.48Å
269	Q	88.3	Confident	89.1	Confident	172 Å²	172	42.2 Å²	42.2	80%	0.804	19%	0.188	S	C	*	.	S	Bend	trans	-62.2	-24.7	176.6	-77.8	166.2	2.6	0	0	112.1	G254 S255	G254-Q269 VanDerWaalsContact O-CG 3.29Å; G254-Q269 WeakPolarHBondContact O-CG 3.49Å; G254-Q269 PolarHBondContact O-N 3.29Å; S255-Q269 PolarHBondContact O-N 3Å
270	R	86.1	Confident	89	Confident	44 Å²	44	41.6 Å²	41.6	17%	0.166	19%	0.185	C	C	.	.	S	Bend	trans	-103.6	132.1	177.9	59.6	-174.4	-163.8	-167.4	6.5	111.8	S156 P268 H272 G273	S156-R270 PolarHBondContact OG-NH1 3.41Å; P268-R270 PolarHBondContact O-N 3.45Å; R270-H272 VanDerWaalsContact C-N 3.3Å; R270-H272 VanDerWaalsContact CG-O 3.32Å; R270-H272 WeakPolarHBondContact CG-O 3.46Å; R270-H272 PolarHBondContact O-N 3.41Å; R270-G273 VanDerWaalsContact CZ-O 3.26Å; R270-G273 PolarHBondContact NE-O 3.36Å; R270-G273 PolarHBondContact NH2-O 3.39Å
271	P	80.1	Confident	88.7	Confident	45 Å²	45	42 Å²	42	29%	0.292	19%	0.193	S	C	.	.	S	Bend	trans	-64.9	-32.5	177.5	14.5	-21.6	0	0	0	113.6	L137 S274	L137-P271 HydrophobicContact CD2-CB 3.54Å; L137-P271 HydrophobicContact CD2-CG 4.13Å; P271-S274 PolarHBondContact O-OG 3.49Å
272	H	89.3	Confident	88.9	Confident	45 Å²	45	42.4 Å²	42.4	21%	0.208	20%	0.195	C	C	.	.	S	Bend	trans	-115.5	166.8	-173.4	-42.7	-72.9	0	0	0	111.7	L153 G223 S224 T226 R270 S274	L153-H272 HydrophobicContact CD1-CB 4.39Å; G223-H272 WeakPolarHBondContact O-CB 3.23Å; S224-H272 WeakPolarHBondContact O-CB 3.46Å; S224-H272 PolarHBondContact O-ND1 3.4Å; T226-H272 CarbonylContact O-C 3.51Å; R270-H272 VanDerWaalsContact C-N 3.3Å; R270-H272 VanDerWaalsContact CG-O 3.32Å; R270-H272 WeakPolarHBondContact CG-O 3.46Å; R270-H272 PolarHBondContact O-N 3.41Å; H272-S274 VanDerWaalsContact C-N 3.26Å; H272-S274 PolarHBondContact O-N 2.97Å
273	G	95.1	Very high	89.8	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	53.6	44.6	-174.4	0	0	0	0	0	111.7	L214 G223 T226 R270	L214-G273 WeakPolarHBondContact CD1-O 3.5Å; G223-G273 WeakPolarHBondContact O-CA 3.36Å; G223-G273 PolarHBondContact O-N 3.44Å; T226-G273 WeakPolarHBondContact O-CA 3.34Å; T226-G273 PolarHBondContact O-N 3.18Å; R270-G273 VanDerWaalsContact CZ-O 3.26Å; R270-G273 PolarHBondContact NE-O 3.36Å; R270-G273 PolarHBondContact NH2-O 3.39Å
274	S	96.7	Very high	90.5	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.007	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	156.1	-169.3	70.6	0	0	0	0	113.7	I228 S256 P271 H272	I228-S274 PolarHBondContact N-O 2.94Å; S256-S274 WeakPolarHBondContact O-CA 3.41Å; P271-S274 PolarHBondContact O-OG 3.49Å; H272-S274 VanDerWaalsContact C-N 3.26Å; H272-S274 PolarHBondContact O-N 2.97Å
275	I	98.2	Very high	90.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131.1	172.4	-62.7	158.2	0	0	0	108.5	P210 Q211 L214 I228 V230 S256 V257 G258 F277	P210-I275 HydrophobicContact CB-CD1 4.08Å; P210-I275 HydrophobicContact CB-CG1 4.39Å; P210-I275 HydrophobicContact CB-CG2 4.28Å; Q211-I275 HydrophobicContact CG-CD1 4.34Å; L214-I275 HydrophobicContact CB-CD1 4.05Å; L214-I275 HydrophobicContact CB-CG1 4.3Å; L214-I275 HydrophobicContact CD2-CD1 3.67Å; L214-I275 HydrophobicContact CD2-CG1 3.95Å; L214-I275 HydrophobicContact CG-CD1 4.44Å; I228-I275 HydrophobicContact CB-CG1 4.18Å; I228-I275 HydrophobicContact CD1-CG1 4.17Å; I228-I275 CarbonylContact O-C 3.58Å; I228-I275 WeakPolarHBondContact O-CA 3.42Å; V230-I275 HydrophobicContact CG2-CG2 4.04Å; S256-I275 PolarHBondContact O-N 3.47Å; V257-I275 CarbonylContact C-O 3.56Å; V257-I275 VanDerWaalsContact CA-O 3.3Å; V257-I275 WeakPolarHBondContact CA-O 3.42Å; V257-I275 HydrophobicContact CG2-CB 4.48Å; G258-I275 PolarHBondContact N-O 3.48Å; I275-F277 HydrophobicContact CG2-CD2 4Å; I275-F277 HydrophobicContact CG2-CE2 3.5Å; I275-F277 HydrophobicContact CG2-CZ 3.99Å
276	M	96.7	Very high	90.7	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.015	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	122.6	171.1	-164.4	74.9	65.4	0	0	109.9	I228 I229 V230 Y267 P268 W286	I228-M276 PolarHBondContact O-N 2.93Å; I229-M276 CarbonylContact C-O 3.59Å; I229-M276 WeakPolarHBondContact CA-O 3.32Å; I229-M276 HydrophobicContact CD1-CB 3.6Å; I229-M276 HydrophobicContact CD1-CG 4.41Å; V230-M276 PolarHBondContact N-O 3.17Å; Y267-M276 HydrophobicContact CD1-CE 3.42Å; Y267-M276 VanDerWaalsContact CD1-CE 3.42Å; Y267-M276 HydrophobicContact CD1-SD 3.75Å; Y267-M276 HydrophobicContact CE1-CE 4.05Å; Y267-M276 HydrophobicContact CE1-SD 4.29Å; Y267-M276 HydrophobicContact CG-CE 4.34Å; P268-M276 HydrophobicContact CG-CE 3.94Å; P268-M276 HydrophobicContact CG-SD 4.48Å; M276-W286 HydrophobicContact CG-CH2 4.48Å
277	F	97.2	Very high	90.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	130.3	166.8	-68.9	-90.5	0	0	0	109.8	P210 V230 A238 I241 A242 V245 V257 G258 Y259 Q260 I275	P210-F277 HydrophobicContact CG-CZ 4.49Å; V230-F277 HydrophobicContact CB-CD1 3.62Å; V230-F277 HydrophobicContact CB-CE1 3.64Å; V230-F277 HydrophobicContact CB-CG 4.36Å; V230-F277 HydrophobicContact CB-CZ 4.39Å; V230-F277 HydrophobicContact CG1-CD1 3.81Å; V230-F277 HydrophobicContact CG1-CE1 3.61Å; V230-F277 HydrophobicContact CG2-CD1 4.31Å; V230-F277 HydrophobicContact CG2-CE1 3.92Å; V230-F277 HydrophobicContact CG2-CZ 4.22Å; V230-F277 CarbonylContact O-C 3.56Å; V230-F277 VanDerWaalsContact O-CA 3.31Å; V230-F277 WeakPolarHBondContact O-CA 3.29Å; A238-F277 HydrophobicContact CB-CB 4.46Å; A238-F277 WeakPolarHBondContact O-CB 3.27Å; I241-F277 HydrophobicContact CB-CD1 4.29Å; I241-F277 HydrophobicContact CB-CE1 4.29Å; I241-F277 HydrophobicContact CG2-CD1 3.76Å; I241-F277 HydrophobicContact CG2-CE1 3.29Å; I241-F277 HydrophobicContact CG2-CE2 4.32Å; I241-F277 HydrophobicContact CG2-CG 4.46Å; I241-F277 HydrophobicContact CG2-CZ 3.62Å; A242-F277 HydrophobicContact CB-CB 4.11Å; A242-F277 HydrophobicContact CB-CD2 3.66Å; A242-F277 HydrophobicContact CB-CG 4.15Å; V245-F277 HydrophobicContact CB-CE2 4.12Å; V245-F277 HydrophobicContact CB-CZ 4.38Å; V245-F277 HydrophobicContact CG1-CE2 4.34Å; V245-F277 HydrophobicContact CG2-CE2 4.12Å; V245-F277 HydrophobicContact CG2-CZ 3.88Å; V257-F277 HydrophobicContact CG1-CD2 4.04Å; V257-F277 HydrophobicContact CG1-CE2 3.9Å; G258-F277 PolarHBondContact O-N 3.03Å; Y259-F277 CarbonylContact C-O 3.53Å; Y259-F277 WeakPolarHBondContact CA-O 3.49Å; Y259-F277 VanDerWaalsContact CB-O 3.3Å; Y259-F277 WeakPolarHBondContact CB-O 3.44Å; Q260-F277 PolarHBondContact N-O 3.33Å; I275-F277 HydrophobicContact CG2-CD2 4Å; I275-F277 HydrophobicContact CG2-CE2 3.5Å; I275-F277 HydrophobicContact CG2-CZ 3.99Å
278	C	95.3	Very high	89.4	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	157.9	177.2	68.5	0	0	0	0	112.8	V230 T231 Q232 Q260 I282	V230-C278 PolarHBondContact O-N 2.7Å; T231-C278 CarbonylContact C-O 3.36Å; T231-C278 VanDerWaalsContact CA-O 3.28Å; T231-C278 WeakPolarHBondContact CA-O 3.17Å; Q232-C278 PolarHBondContact N-O 2.79Å; Q260-C278 HydrophobicContact CB-CB 4.4Å; Q260-C278 WeakPolarHBondContact O-CA 3.29Å; Q260-C278 WeakPolarHBondContact O-CB 3.3Å; C278-I282 HydrophobicContact CB-CB 4.08Å; C278-I282 HydrophobicContact CB-CG2 4.07Å
279	T	92.2	Very high	88.7	Confident	20 Å²	20	29.3 Å²	29.3	12%	0.123	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	146.5	167.2	45.6	0	0	0	0	110.3	Q232 R235 Q260 V261 G281 I282	Q232-T279 WeakPolarHBondContact O-CA 3.24Å; R235-T279 HydrophobicContact CB-CG2 4.27Å; Q260-T279 PolarHBondContact O-N 2.87Å; V261-T279 HydrophobicContact CB-CG2 4.35Å; V261-T279 HydrophobicContact CG1-CG2 4.03Å; T279-G281 PolarHBondContact O-N 2.84Å; T279-G281 VanDerWaalsContact O-N 3.07Å; T279-I282 WeakPolarHBondContact O-CB 3.29Å; T279-I282 PolarHBondContact O-N 3.35Å; T279-I282 WeakPolarHBondContact OG1-CG1 3.25Å
280	T	92.5	Very high	88.4	Confident	3 Å²	3	22 Å²	22	2%	0.018	12%	0.118	C	C	.	.	H	α-helix	trans	-52	-34.4	178.3	-49.7	0	0	0	0	113.1	Q232 I282 I283 L284 L310 L314	Q232-T280 PolarHBondContact O-N 2.97Å; Q232-T280 VanDerWaalsContact O-N 3.13Å; Q232-T280 PolarHBondContact O-OG1 3.48Å; T280-I282 VanDerWaalsContact C-N 3.27Å; T280-I282 PolarHBondContact O-N 2.98Å; T280-I283 WeakPolarHBondContact O-CG2 3.27Å; T280-I283 PolarHBondContact O-N 3.26Å; T280-L284 WeakPolarHBondContact O-CG 3.28Å; T280-L284 PolarHBondContact O-N 3.08Å; T280-L310 VanDerWaalsContact CG2-C 3.47Å; T280-L310 HydrophobicContact CG2-CB 3.78Å; T280-L310 WeakPolarHBondContact CG2-O 3.37Å; T280-L314 HydrophobicContact CG2-CB 3.92Å; T280-L314 HydrophobicContact CG2-CD2 3.9Å
281	G	86.6	Confident	88.3	Confident	21 Å²	21	21.6 Å²	21.6	22%	0.216	12%	0.121	C	C	.	.	H	α-helix	trans	-62.5	-26.5	175.2	0	0	0	0	0	115.4	T279 Q285	T279-G281 PolarHBondContact O-N 2.84Å; T279-G281 VanDerWaalsContact O-N 3.07Å; G281-Q285 PolarHBondContact O-N 3.11Å; G281-Q285 VanDerWaalsContact O-N 3.14Å
282	I	88.5	Confident	88.7	Confident	10 Å²	10	21.2 Å²	21.2	5%	0.051	12%	0.116	C	C	.	.	H	α-helix	trans	-74.2	-44.7	-179.4	-66.7	-66.2	0	0	0	110.8	Q260 C278 T279 T280 L284 Q285 W286	Q260-I282 HydrophobicContact CB-CG2 4.16Å; Q260-I282 HydrophobicContact CG-CD1 4.04Å; Q260-I282 HydrophobicContact CG-CG1 4.16Å; Q260-I282 HydrophobicContact CG-CG2 3.74Å; C278-I282 HydrophobicContact CB-CB 4.08Å; C278-I282 HydrophobicContact CB-CG2 4.07Å; T279-I282 WeakPolarHBondContact O-CB 3.29Å; T279-I282 PolarHBondContact O-N 3.35Å; T279-I282 WeakPolarHBondContact OG1-CG1 3.25Å; T280-I282 VanDerWaalsContact C-N 3.27Å; T280-I282 PolarHBondContact O-N 2.98Å; I282-L284 VanDerWaalsContact C-N 3.29Å; I282-L284 PolarHBondContact O-N 2.93Å; I282-Q285 WeakPolarHBondContact O-CB 3.17Å; I282-Q285 PolarHBondContact O-N 3.01Å; I282-Q285 VanDerWaalsContact O-N 3.1Å; I282-W286 HydrophobicContact CG2-CD2 4.38Å; I282-W286 HydrophobicContact CG2-CH2 4.33Å; I282-W286 HydrophobicContact CG2-CZ2 3.6Å; I282-W286 PolarHBondContact O-N 2.48Å; I282-W286 VanDerWaalsContact O-N 3.09Å
283	I	90.3	Very high	88.8	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-65.3	-36.6	176.5	-171.7	167.9	0	0	0	111.2	I229 T231 T280 Q285 W286 F287 L293 I299 L314	I229-I283 HydrophobicContact CG2-CD1 4.17Å; T231-I283 HydrophobicContact CG2-CB 4.44Å; T231-I283 HydrophobicContact CG2-CD1 4.22Å; T231-I283 HydrophobicContact CG2-CG2 3.76Å; T280-I283 WeakPolarHBondContact O-CG2 3.27Å; T280-I283 PolarHBondContact O-N 3.26Å; I283-Q285 PolarHBondContact O-N 2.94Å; I283-W286 HydrophobicContact CB-CE3 4.18Å; I283-W286 HydrophobicContact CG1-CE3 4.03Å; I283-W286 WeakPolarHBondContact O-CB 3.4Å; I283-W286 PolarHBondContact O-N 2.92Å; I283-F287 HydrophobicContact CG1-CE2 4.27Å; I283-F287 VanDerWaalsContact O-CD2 3.25Å; I283-F287 WeakPolarHBondContact O-CD2 3.24Å; I283-F287 PolarHBondContact O-N 3.08Å; I283-L293 HydrophobicContact CD1-CD1 4.04Å; I283-L293 HydrophobicContact CG1-CD1 4.08Å; I283-I299 HydrophobicContact CD1-CD1 4Å; I283-I299 HydrophobicContact CD1-CG1 4.24Å; I283-I299 HydrophobicContact CD1-CG2 4.02Å; I283-L314 HydrophobicContact CD1-CD1 4.24Å; I283-L314 HydrophobicContact CG1-CD1 4.38Å; I283-L314 HydrophobicContact CG2-CD1 3.89Å; I283-L314 HydrophobicContact CG2-CD2 3.82Å; I283-L314 HydrophobicContact CG2-CG 4.46Å
284	L	86.9	Confident	88.5	Confident	7 Å²	7	23.8 Å²	23.8	4%	0.037	13%	0.127	C	C	.	.	H	α-helix	trans	-61	-33.7	172.7	-69.2	177.6	0	0	0	112.5	T280 I282 F287 L310 F313 L314 M317	T280-L284 WeakPolarHBondContact O-CG 3.28Å; T280-L284 PolarHBondContact O-N 3.08Å; I282-L284 VanDerWaalsContact C-N 3.29Å; I282-L284 PolarHBondContact O-N 2.93Å; L284-F287 HydrophobicContact CD2-CD2 4.31Å; L284-F287 HydrophobicContact CD2-CE2 4.45Å; L284-L310 HydrophobicContact CD1-CB 4.17Å; L284-L310 HydrophobicContact CD1-CD2 3.86Å; L284-F313 HydrophobicContact CD1-CB 4.48Å; L284-F313 HydrophobicContact CD1-CD1 4.09Å; L284-F313 HydrophobicContact CD1-CG 4.46Å; L284-F313 HydrophobicContact CD2-CD1 3.5Å; L284-F313 HydrophobicContact CD2-CE1 3.92Å; L284-F313 HydrophobicContact CG-CD1 4.45Å; L284-L314 HydrophobicContact CD2-CB 4.19Å; L284-L314 HydrophobicContact CD2-CD1 4.25Å; L284-M317 HydrophobicContact CD2-CG 4.43Å
285	Q	81.5	Confident	88.1	Confident	92 Å²	92	24 Å²	24	43%	0.43	13%	0.128	S	C	.	.	H	α-helix	trans	-68.4	-37.7	172.7	-174.7	-178.9	-9.1	0	0	111.6	G281 I282 I283 F287 R288	G281-Q285 PolarHBondContact O-N 3.11Å; G281-Q285 VanDerWaalsContact O-N 3.14Å; I282-Q285 WeakPolarHBondContact O-CB 3.17Å; I282-Q285 PolarHBondContact O-N 3.01Å; I282-Q285 VanDerWaalsContact O-N 3.1Å; I283-Q285 PolarHBondContact O-N 2.94Å; Q285-F287 VanDerWaalsContact C-N 3.29Å; Q285-F287 PolarHBondContact O-N 2.82Å; Q285-R288 WeakPolarHBondContact O-CB 3.41Å; Q285-R288 PolarHBondContact O-N 2.93Å; Q285-R288 VanDerWaalsContact O-N 3.08Å
286	W	85.8	Confident	87.9	Confident	12 Å²	12	24.4 Å²	24.4	5%	0.045	13%	0.13	C	C	.	.	H	α-helix	trans	-64.2	-30.2	178.3	-61.5	-21	0	0	0	113.5	I229 Q260 M276 I282 I283 R288 S289 D290 L293 I296	I229-W286 HydrophobicContact CD1-CH2 3.96Å; I229-W286 HydrophobicContact CD1-CZ3 3.77Å; I229-W286 HydrophobicContact CG1-CZ3 3.98Å; I229-W286 HydrophobicContact CG2-CH2 4.47Å; I229-W286 HydrophobicContact CG2-CZ3 3.95Å; Q260-W286 VanDerWaalsContact OE1-CZ2 3.29Å; M276-W286 HydrophobicContact CG-CH2 4.48Å; I282-W286 HydrophobicContact CG2-CD2 4.38Å; I282-W286 HydrophobicContact CG2-CH2 4.33Å; I282-W286 HydrophobicContact CG2-CZ2 3.6Å; I282-W286 PolarHBondContact O-N 2.48Å; I282-W286 VanDerWaalsContact O-N 3.09Å; I283-W286 HydrophobicContact CB-CE3 4.18Å; I283-W286 HydrophobicContact CG1-CE3 4.03Å; I283-W286 WeakPolarHBondContact O-CB 3.4Å; I283-W286 PolarHBondContact O-N 2.92Å; W286-R288 PolarHBondContact O-N 3.11Å; W286-R288 VanDerWaalsContact O-N 3.07Å; W286-S289 PolarHBondContact O-N 3.14Å; W286-S289 PolarHBondContact O-OG 2.8Å; W286-S289 VanDerWaalsContact O-OG 3.05Å; W286-D290 PolarHBondContact O-N 2.99Å; W286-L293 HydrophobicContact CB-CD2 3.96Å; W286-I296 HydrophobicContact CE3-CD1 4.02Å; W286-I296 HydrophobicContact CZ3-CD1 4.09Å
287	F	82.8	Confident	87.9	Confident	5 Å²	5	24.7 Å²	24.7	2%	0.022	13%	0.132	C	C	.	.	H	α-helix	trans	-56.7	-22.9	172.6	-82.2	-81.9	0	0	0	113.2	I283 L284 Q285 P291 L293 L314 M317 L318 I321 L626	I283-F287 HydrophobicContact CG1-CE2 4.27Å; I283-F287 VanDerWaalsContact O-CD2 3.25Å; I283-F287 WeakPolarHBondContact O-CD2 3.24Å; I283-F287 PolarHBondContact O-N 3.08Å; L284-F287 HydrophobicContact CD2-CD2 4.31Å; L284-F287 HydrophobicContact CD2-CE2 4.45Å; Q285-F287 VanDerWaalsContact C-N 3.29Å; Q285-F287 PolarHBondContact O-N 2.82Å; F287-P291 VanDerWaalsContact CD1-O 3.3Å; F287-P291 WeakPolarHBondContact CD1-O 3.29Å; F287-P291 VanDerWaalsContact O-CA 3.25Å; F287-P291 WeakPolarHBondContact O-CA 3.46Å; F287-P291 WeakPolarHBondContact O-CG 3.43Å; F287-L293 HydrophobicContact CD1-CG 4.41Å; F287-L293 HydrophobicContact CD2-CD1 4.44Å; F287-L293 HydrophobicContact CE1-CD1 3.97Å; F287-L293 HydrophobicContact CE1-CG 4.1Å; F287-L293 HydrophobicContact CE2-CD1 3.78Å; F287-L293 HydrophobicContact CE2-CG 4.47Å; F287-L293 HydrophobicContact CZ-CD1 3.51Å; F287-L293 HydrophobicContact CZ-CG 4.14Å; F287-L314 HydrophobicContact CE2-CD1 3.72Å; F287-L314 HydrophobicContact CZ-CD1 4.31Å; F287-M317 HydrophobicContact CB-CE 4.38Å; F287-M317 HydrophobicContact CD1-CE 3.39Å; F287-M317 HydrophobicContact CE1-CB 4.06Å; F287-M317 HydrophobicContact CE1-CE 3.66Å; F287-M317 HydrophobicContact CE2-CB 4.09Å; F287-M317 HydrophobicContact CG-CE 3.88Å; F287-M317 HydrophobicContact CZ-CB 3.71Å; F287-M317 HydrophobicContact CZ-CE 4.36Å; F287-L318 HydrophobicContact CZ-CD2 4.49Å; F287-I321 HydrophobicContact CE1-CD1 4.02Å; F287-I321 HydrophobicContact CE1-CG2 4.06Å; F287-I321 HydrophobicContact CZ-CD1 4.15Å; F287-L626 HydrophobicContact CB-CD2 4.15Å
288	R	75.3	Confident	88	Confident	64 Å²	64	25.2 Å²	25.2	24%	0.242	14%	0.135	C	C	.	.	H	α-helix	trans	-67.6	-44.9	174.8	-169.3	-170.9	171.9	95.5	2.7	112	F123 Q285 W286 L626	F123-R288 HydrophobicContact CD1-CG 4.08Å; F123-R288 HydrophobicContact CE1-CG 3.53Å; F123-R288 HydrophobicContact CZ-CG 3.83Å; Q285-R288 WeakPolarHBondContact O-CB 3.41Å; Q285-R288 PolarHBondContact O-N 2.93Å; Q285-R288 VanDerWaalsContact O-N 3.08Å; W286-R288 PolarHBondContact O-N 3.11Å; W286-R288 VanDerWaalsContact O-N 3.07Å; R288-L626 HydrophobicContact CB-CD2 4.13Å
289	S	76.7	Confident	88.1	Confident	72 Å²	72	25.2 Å²	25.2	50%	0.503	14%	0.135	S	C	.	.	H	α-helix	trans	-89.4	-29.8	-176.6	49.3	0	0	0	0	113.3	W286	W286-S289 PolarHBondContact O-N 3.14Å; W286-S289 PolarHBondContact O-OG 2.8Å; W286-S289 VanDerWaalsContact O-OG 3.05Å
290	D	83.2	Confident	88.4	Confident	19 Å²	19	24.2 Å²	24.2	10%	0.102	13%	0.129	C	C	.	.			trans	-140.1	79.7	-177.6	-176.5	7.5	0	0	0	109.1	W286 L292 L293 K294	W286-D290 PolarHBondContact O-N 2.99Å; D290-L292 PolarHBondContact O-N 3.06Å; D290-L292 VanDerWaalsContact O-N 3.16Å; D290-L293 VanDerWaalsContact CG-CA 3.44Å; D290-L293 WeakPolarHBondContact O-CD2 3.44Å; D290-L293 PolarHBondContact O-N 3.12Å; D290-L293 PolarHBondContact OD1-N 3.07Å; D290-L293 VanDerWaalsContact OD2-C 3.23Å; D290-L293 VanDerWaalsContact OD2-CA 3.23Å; D290-L293 WeakPolarHBondContact OD2-CA 3.41Å; D290-K294 VanDerWaalsContact CG-N 3.3Å; D290-K294 PolarHBondContact OD1-N 2.98Å; D290-K294 PolarHBondContact OD2-N 3.38Å
291	P	83.7	Confident	88.7	Confident	34 Å²	34	24.1 Å²	24.1	22%	0.221	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.8	-175.3	-22.5	31.8	0	0	0	114.3	F116 F287	F116-P291 HydrophobicContact CD1-CB 3.54Å; F116-P291 HydrophobicContact CD1-CG 4.15Å; F116-P291 HydrophobicContact CE1-CB 3.4Å; F116-P291 VanDerWaalsContact CE1-CB 3.4Å; F116-P291 HydrophobicContact CE1-CG 4.46Å; F116-P291 HydrophobicContact CG-CB 4.49Å; F116-P291 HydrophobicContact CZ-CB 4.26Å; F287-P291 VanDerWaalsContact CD1-O 3.3Å; F287-P291 WeakPolarHBondContact CD1-O 3.29Å; F287-P291 VanDerWaalsContact O-CA 3.25Å; F287-P291 WeakPolarHBondContact O-CA 3.46Å; F287-P291 WeakPolarHBondContact O-CG 3.43Å
292	L	88.8	Confident	89.1	Confident	38 Å²	38	23.3 Å²	23.3	20%	0.199	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-4.8	177.4	-65.4	179.6	0	0	0	112.7	F116 D290 K294 L324 R325	F116-L292 HydrophobicContact CE2-CD2 3.98Å; F116-L292 HydrophobicContact CZ-CD2 4.24Å; D290-L292 PolarHBondContact O-N 3.06Å; D290-L292 VanDerWaalsContact O-N 3.16Å; L292-K294 VanDerWaalsContact C-N 3.28Å; L292-K294 HydrophobicContact CB-CG 3.99Å; L292-K294 PolarHBondContact O-N 2.87Å; L292-L324 HydrophobicContact CD2-CB 4.18Å; L292-L324 HydrophobicContact CD2-CD1 3.94Å; L292-R325 PolarHBondContact O-NH1 2.83Å
293	L	90.7	Very high	89.1	Confident	1 Å²	1	24.6 Å²	24.6	1%	0.005	12%	0.124	C	C	.	.			trans	51.1	45.7	-175.7	-61	180	0	0	0	112.1	I283 W286 F287 D290 N295 I296 I299 I321 R325	I283-L293 HydrophobicContact CD1-CD1 4.04Å; I283-L293 HydrophobicContact CG1-CD1 4.08Å; W286-L293 HydrophobicContact CB-CD2 3.96Å; F287-L293 HydrophobicContact CD1-CG 4.41Å; F287-L293 HydrophobicContact CD2-CD1 4.44Å; F287-L293 HydrophobicContact CE1-CD1 3.97Å; F287-L293 HydrophobicContact CE1-CG 4.1Å; F287-L293 HydrophobicContact CE2-CD1 3.78Å; F287-L293 HydrophobicContact CE2-CG 4.47Å; F287-L293 HydrophobicContact CZ-CD1 3.51Å; F287-L293 HydrophobicContact CZ-CG 4.14Å; D290-L293 VanDerWaalsContact CG-CA 3.44Å; D290-L293 WeakPolarHBondContact O-CD2 3.44Å; D290-L293 PolarHBondContact O-N 3.12Å; D290-L293 PolarHBondContact OD1-N 3.07Å; D290-L293 VanDerWaalsContact OD2-C 3.23Å; D290-L293 VanDerWaalsContact OD2-CA 3.23Å; D290-L293 WeakPolarHBondContact OD2-CA 3.41Å; L293-N295 PolarHBondContact O-N 3.13Å; L293-N295 VanDerWaalsContact O-N 3.07Å; L293-I296 HydrophobicContact CB-CB 4.43Å; L293-I296 HydrophobicContact CB-CD1 3.98Å; L293-I296 HydrophobicContact CD1-CD1 4.36Å; L293-I296 HydrophobicContact CD2-CD1 4.04Å; L293-I296 HydrophobicContact CG-CD1 4.35Å; L293-I296 PolarHBondContact O-N 2.93Å; L293-I299 HydrophobicContact CD1-CD1 3.48Å; L293-I299 VanDerWaalsContact CD1-CD1 3.48Å; L293-I321 HydrophobicContact CD1-CD1 4.33Å; L293-R325 PolarHBondContact O-NH1 2.87Å
294	K	89.1	Confident	89.2	Confident	97 Å²	97	24.6 Å²	24.6	42%	0.422	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-29.7	-171.3	-65.5	-177.1	-177.8	-175.8	0	113.5	D290 L292 I296	D290-K294 VanDerWaalsContact CG-N 3.3Å; D290-K294 PolarHBondContact OD1-N 2.98Å; D290-K294 PolarHBondContact OD2-N 3.38Å; L292-K294 VanDerWaalsContact C-N 3.28Å; L292-K294 HydrophobicContact CB-CG 3.99Å; L292-K294 PolarHBondContact O-N 2.87Å; K294-I296 VanDerWaalsContact C-N 3.27Å; K294-I296 PolarHBondContact O-N 2.68Å
295	N	88.5	Confident	89.1	Confident	7 Å²	7	25.6 Å²	25.6	4%	0.037	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	6.1	-177.8	-65.5	-9.1	0	0	0	114.5	T139 E141 L143 R227 L293	T139-N295 PolarHBondContact O-ND2 2.92Å; T139-N295 PolarHBondContact O-OD1 3.09Å; E141-N295 PolarHBondContact O-OD1 3.07Å; L143-N295 WeakPolarHBondContact CD1-O 3.43Å; R227-N295 WeakPolarHBondContact CD-O 3.45Å; L293-N295 PolarHBondContact O-N 3.13Å; L293-N295 VanDerWaalsContact O-N 3.07Å
296	I	94.4	Very high	89.3	Confident	7 Å²	7	23.6 Å²	23.6	4%	0.036	12%	0.119	C	C	.	.			trans	-118.3	131.1	-174.2	-63.7	162.1	0	0	0	109	I229 W286 L293 K294 H298 I299 R325 L328	I229-I296 HydrophobicContact CB-CG2 4.45Å; I229-I296 HydrophobicContact CD1-CD1 4.38Å; I229-I296 HydrophobicContact CD1-CG1 4.32Å; I229-I296 HydrophobicContact CG1-CB 4.4Å; I229-I296 HydrophobicContact CG1-CD1 3.68Å; I229-I296 HydrophobicContact CG1-CG1 3.74Å; I229-I296 HydrophobicContact CG1-CG2 3.72Å; W286-I296 HydrophobicContact CE3-CD1 4.02Å; W286-I296 HydrophobicContact CZ3-CD1 4.09Å; L293-I296 HydrophobicContact CB-CB 4.43Å; L293-I296 HydrophobicContact CB-CD1 3.98Å; L293-I296 HydrophobicContact CD1-CD1 4.36Å; L293-I296 HydrophobicContact CD2-CD1 4.04Å; L293-I296 HydrophobicContact CG-CD1 4.35Å; L293-I296 PolarHBondContact O-N 2.93Å; K294-I296 VanDerWaalsContact C-N 3.27Å; K294-I296 PolarHBondContact O-N 2.68Å; I296-H298 WeakPolarHBondContact CG2-O 3.43Å; I296-I299 HydrophobicContact CG2-CD1 4.17Å; I296-I299 HydrophobicContact CG2-CG1 3.56Å; I296-R325 PolarHBondContact O-NH2 2.6Å; I296-L328 HydrophobicContact CG2-CD1 4.25Å
297	S	96.5	Very high	89.4	Confident	10 Å²	10	23.8 Å²	23.8	7%	0.07	12%	0.12	C	C	.	.	S	Bend	trans	-97.1	-34.9	179	62.8	0	0	0	0	112.6	V225 R227 R329	V225-S297 VanDerWaalsContact O-CB 3.29Å; V225-S297 WeakPolarHBondContact O-CB 3.09Å; R227-S297 PolarHBondContact N-OG 3.11Å; R227-S297 PolarHBondContact O-N 2.96Å; R227-S297 VanDerWaalsContact O-N 3.09Å; R227-S297 PolarHBondContact O-OG 3.31Å; S297-R329 PolarHBondContact O-N 2.8Å
298	H	98.5	Very high	89.7	Confident	10 Å²	10	25.8 Å²	25.8	5%	0.046	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	130.1	-175.7	-60.7	72.9	0	0	0	109.5	R227 I228 I229 I296 R329	R227-H298 PolarHBondContact O-N 3.37Å; I228-H298 HydrophobicContact CB-CB 4.41Å; I228-H298 HydrophobicContact CG1-CB 4.11Å; I228-H298 HydrophobicContact CG2-CB 4.21Å; I229-H298 PolarHBondContact N-O 2.86Å; I296-H298 WeakPolarHBondContact CG2-O 3.43Å; H298-R329 CarbonylContact C-O 3.54Å; H298-R329 VanDerWaalsContact CA-O 3.28Å; H298-R329 WeakPolarHBondContact CA-O 3.32Å
299	I	98.3	Very high	90.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	120.4	171.8	-64.8	169.4	0	0	0	108.1	I229 I283 L293 I296 V301 L318 L328 R329 I330 V331	I229-I299 WeakPolarHBondContact O-CA 3.43Å; I283-I299 HydrophobicContact CD1-CD1 4Å; I283-I299 HydrophobicContact CD1-CG1 4.24Å; I283-I299 HydrophobicContact CD1-CG2 4.02Å; L293-I299 HydrophobicContact CD1-CD1 3.48Å; L293-I299 VanDerWaalsContact CD1-CD1 3.48Å; I296-I299 HydrophobicContact CG2-CD1 4.17Å; I296-I299 HydrophobicContact CG2-CG1 3.56Å; I299-V301 HydrophobicContact CG2-CG2 4.15Å; I299-L318 HydrophobicContact CD1-CD2 3.58Å; I299-L318 HydrophobicContact CG2-CD1 3.97Å; I299-L318 HydrophobicContact CG2-CD2 4.23Å; I299-L328 HydrophobicContact CD1-CD1 3.97Å; I299-L328 HydrophobicContact CD1-CD2 4.09Å; I299-L328 HydrophobicContact CG1-CD1 4.07Å; I299-R329 PolarHBondContact N-O 2.96Å; I299-I330 CarbonylContact O-C 3.56Å; I299-I330 WeakPolarHBondContact O-CA 3.46Å; I299-V331 PolarHBondContact O-N 3.27Å
300	I	98.6	Very high	90.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	115.2	176.5	-50.4	-174.4	0	0	0	107.4	V209 P210 I213 I228 I229 V230 T231 V331 M333	V209-I300 HydrophobicContact CG1-CD1 4.44Å; P210-I300 HydrophobicContact CB-CD1 4.02Å; P210-I300 HydrophobicContact CG-CD1 3.87Å; I213-I300 HydrophobicContact CD1-CD1 3.73Å; I228-I300 HydrophobicContact CG2-CD1 3.89Å; I228-I300 HydrophobicContact CG2-CG1 4.22Å; I229-I300 PolarHBondContact O-N 3.45Å; V230-I300 CarbonylContact C-O 3.56Å; V230-I300 WeakPolarHBondContact CA-O 3.38Å; V230-I300 HydrophobicContact CB-CB 4.43Å; V230-I300 HydrophobicContact CG1-CB 4.2Å; V230-I300 HydrophobicContact CG1-CG2 4.27Å; V230-I300 HydrophobicContact CG2-CB 4.19Å; V230-I300 HydrophobicContact CG2-CD1 4.13Å; V230-I300 HydrophobicContact CG2-CG1 4.42Å; T231-I300 PolarHBondContact N-O 3.05Å; I300-V331 CarbonylContact C-O 3.55Å; I300-V331 VanDerWaalsContact CA-O 3.25Å; I300-V331 WeakPolarHBondContact CA-O 3.36Å; I300-V331 HydrophobicContact CB-CB 4.4Å; I300-V331 HydrophobicContact CG1-CB 4.08Å; I300-V331 HydrophobicContact CG1-CG2 4.42Å; I300-V331 HydrophobicContact CG2-CB 4.17Å; I300-V331 HydrophobicContact CG2-CG1 4.3Å; I300-M333 HydrophobicContact CG2-CE 3.33Å; I300-M333 HydrophobicContact CG2-CG 3.95Å; I300-M333 HydrophobicContact CG2-SD 3.81Å
301	V	97.5	Very high	91.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	105.5	174	-167.7	0	0	0	0	108.1	T231 I299 V304 L314 L315 L318 V331 L332 M333	T231-V301 WeakPolarHBondContact OG1-CA 3.43Å; I299-V301 HydrophobicContact CG2-CG2 4.15Å; V301-V304 HydrophobicContact CB-CG1 3.96Å; V301-V304 HydrophobicContact CG1-CG1 3.61Å; V301-V304 WeakPolarHBondContact O-CG1 3.42Å; V301-L314 HydrophobicContact CG1-CD2 4.23Å; V301-L314 HydrophobicContact CG2-CD2 3.83Å; V301-L314 HydrophobicContact CG2-CG 4.44Å; V301-L315 HydrophobicContact CB-CD2 4.3Å; V301-L315 HydrophobicContact CG1-CD2 4.2Å; V301-L315 HydrophobicContact CG2-CD2 4.13Å; V301-L318 HydrophobicContact CG2-CD1 3.58Å; V301-V331 PolarHBondContact N-O 2.92Å; V301-L332 HydrophobicContact CB-CD2 3.78Å; V301-L332 HydrophobicContact CG2-CD2 3.87Å; V301-M333 PolarHBondContact O-N 3.23Å
302	D	94.5	Very high	91.5	Very high	5 Å²	5	19 Å²	19	3%	0.027	9%	0.09	C	C	.	.			trans	-89.1	160.2	-179.8	-159.4	12	0	0	0	112.6	T206 T231 Q232 V304 M333	T206-D302 WeakPolarHBondContact CB-OD2 3.35Å; T206-D302 WeakPolarHBondContact CG2-OD2 3.49Å; T206-D302 PolarHBondContact OG1-OD2 2.83Å; T231-D302 VanDerWaalsContact O-CB 3.28Å; T231-D302 WeakPolarHBondContact O-CB 3.25Å; T231-D302 PolarHBondContact O-N 3.07Å; Q232-D302 PolarHBondContact NE2-OD2 3.01Å; D302-V304 PolarHBondContact O-N 2.82Å; D302-V304 VanDerWaalsContact O-N 3.15Å; D302-M333 HydrophobicContact CB-CE 3.51Å; D302-M333 VanDerWaalsContact OD1-CB 3.3Å; D302-M333 WeakPolarHBondContact OD1-CB 3.48Å; D302-M333 VanDerWaalsContact OD1-CE 3.29Å; D302-M333 WeakPolarHBondContact OD1-CE 3.21Å
303	E	89.6	Confident	91.5	Very high	36 Å²	36	17.1 Å²	17.1	17%	0.168	8%	0.08	C	C	.	.			trans	55.8	31.5	174.7	-54.5	-75.4	-177.9	0	0	112.7	P233 H305 E306 M333	P233-E303 HydrophobicContact CG-CB 3.93Å; P233-E303 HydrophobicContact CG-CG 4.39Å; E303-H305 PolarHBondContact O-N 3.07Å; E303-H305 IonicContact OE2-CE1 2.7Å; E303-H305 PolarHBondContact OE2-CE1 3.19Å; E303-H305 IonicContact OE2-ND1 2.91Å; E303-H305 IonicContact OE2-NE2 3.95Å; E303-H305 PolarHBondContact OE2-NE2 3.45Å; E303-H305 VanDerWaalsContact OE2-NE2 3.14Å; E303-E306 HydrophobicContact CB-CG 4.37Å; E303-E306 PolarHBondContact O-N 2.91Å; E303-M333 PolarHBondContact N-O 3.32Å
304	V	92.1	Very high	91.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-58.2	-21.3	-176.7	-59.7	0	0	0	0	112.7	V301 D302 E306 R307 L332 M333 F342	V301-V304 HydrophobicContact CB-CG1 3.96Å; V301-V304 HydrophobicContact CG1-CG1 3.61Å; V301-V304 WeakPolarHBondContact O-CG1 3.42Å; D302-V304 PolarHBondContact O-N 2.82Å; D302-V304 VanDerWaalsContact O-N 3.15Å; V304-E306 VanDerWaalsContact C-N 3.28Å; V304-E306 PolarHBondContact O-N 3.15Å; V304-R307 WeakPolarHBondContact O-CD 3.37Å; V304-R307 PolarHBondContact O-N 2.89Å; V304-L332 HydrophobicContact CG1-CB 4.38Å; V304-M333 WeakPolarHBondContact CG2-O 3.42Å; V304-M333 PolarHBondContact N-O 3.28Å; V304-F342 HydrophobicContact CB-CE1 3.99Å; V304-F342 HydrophobicContact CB-CE2 4.22Å; V304-F342 HydrophobicContact CB-CZ 3.73Å; V304-F342 HydrophobicContact CG2-CD1 4.46Å; V304-F342 HydrophobicContact CG2-CD2 3.95Å; V304-F342 HydrophobicContact CG2-CE1 4.06Å; V304-F342 HydrophobicContact CG2-CE2 3.52Å; V304-F342 HydrophobicContact CG2-CG 4.4Å; V304-F342 HydrophobicContact CG2-CZ 3.57Å; V304-F342 WeakPolarHBondContact O-CZ 3.37Å
305	H	85.8	Confident	91.9	Very high	28 Å²	28	12.5 Å²	12.5	13%	0.13	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	-72.9	-14.9	178.1	63.8	-97.8	0	0	0	114.4	E303 R307 A335 N338 Q577	E303-H305 PolarHBondContact O-N 3.07Å; E303-H305 IonicContact OE2-CE1 2.7Å; E303-H305 PolarHBondContact OE2-CE1 3.19Å; E303-H305 IonicContact OE2-ND1 2.91Å; E303-H305 IonicContact OE2-NE2 3.95Å; E303-H305 PolarHBondContact OE2-NE2 3.45Å; E303-H305 VanDerWaalsContact OE2-NE2 3.14Å; H305-R307 PolarHBondContact O-N 3.4Å; H305-A335 PolarHBondContact ND1-N 3.07Å; H305-N338 VanDerWaalsContact CA-ND2 3.3Å; H305-N338 WeakPolarHBondContact CA-ND2 3.36Å; H305-N338 HydrophobicContact CB-CB 3.94Å; H305-N338 WeakPolarHBondContact CB-ND2 3.5Å; H305-Q577 PolarHBondContact CD2-NE2 3.08Å; H305-Q577 PolarHBondContact NE2-NE2 2.78Å
306	E	84	Confident	92	Very high	50 Å²	50	12.2 Å²	12.2	23%	0.234	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-66	-19.8	170.3	-73.1	-159.1	-158.5	0	0	111.1	R234 E303 V304 E308 T535	R234-E306 IonicContact CZ-OE1 3.41Å; R234-E306 IonicContact CZ-OE2 3.69Å; R234-E306 IonicContact NE-OE1 3.32Å; R234-E306 PolarHBondContact NE-OE1 3.14Å; R234-E306 IonicContact NE-OE2 2.85Å; R234-E306 PolarHBondContact NE-OE2 3.45Å; R234-E306 IonicContact NH2-OE1 2.69Å; R234-E306 IonicContact NH2-OE2 3.89Å; R234-E306 PolarHBondContact NH2-OE2 3.33Å; E303-E306 HydrophobicContact CB-CG 4.37Å; E303-E306 PolarHBondContact O-N 2.91Å; V304-E306 VanDerWaalsContact C-N 3.28Å; V304-E306 PolarHBondContact O-N 3.15Å; E306-E308 PolarHBondContact O-N 3.17Å; E306-T535 HydrophobicContact CG-CG2 4.23Å; E306-T535 WeakPolarHBondContact OE1-CB 3.39Å; E306-T535 WeakPolarHBondContact OE1-CG2 3.45Å; E306-T535 PolarHBondContact OE1-OG1 3.18Å
307	R	88.7	Confident	91.8	Very high	17 Å²	17	12.1 Å²	12.1	6%	0.064	6%	0.058	C	C	.	.			trans	50.3	43.4	-179.4	-62.4	-58.2	-52.9	-76.4	-6.8	112.6	V304 H305 D312 P609 E610 L639 D640	V304-R307 WeakPolarHBondContact O-CD 3.37Å; V304-R307 PolarHBondContact O-N 2.89Å; H305-R307 PolarHBondContact O-N 3.4Å; R307-D312 IonicContact CZ-OD1 3.01Å; R307-D312 IonicContact CZ-OD2 3.63Å; R307-D312 IonicContact NE-OD1 2.82Å; R307-D312 PolarHBondContact NE-OD1 2.68Å; R307-D312 IonicContact NE-OD2 3.65Å; R307-D312 PolarHBondContact NE-OD2 2.82Å; R307-D312 IonicContact NH2-OD1 3.14Å; R307-D312 PolarHBondContact NH2-OD1 3.08Å; R307-D312 IonicContact NH2-OD2 2.82Å; R307-D312 PolarHBondContact NH2-OD2 3.24Å; R307-P609 HydrophobicContact CB-CB 4.13Å; R307-P609 HydrophobicContact CB-CG 4.49Å; R307-E610 WeakPolarHBondContact O-CB 3.42Å; R307-E610 PolarHBondContact O-N 2.9Å; R307-L639 VanDerWaalsContact CZ-CD2 3.48Å; R307-D640 IonicContact CZ-OD2 3.97Å; R307-D640 VanDerWaalsContact CZ-OD2 3.27Å; R307-D640 IonicContact NH1-OD2 3.09Å; R307-D640 PolarHBondContact NH1-OD2 3.38Å; R307-D640 IonicContact NH2-OD2 3.24Å; R307-D640 PolarHBondContact NH2-OD2 2.88Å
308	E	88.5	Confident	91.8	Very high	47 Å²	47	11.7 Å²	11.7	22%	0.22	6%	0.055	C	C	.	.			trans	-67.3	144.3	172.2	-162.9	-171.3	-165.7	0	0	109.9	P233 E306 L310 C311 D312 E610	P233-E308 VanDerWaalsContact CA-OE2 3.24Å; P233-E308 WeakPolarHBondContact CA-OE2 3.42Å; P233-E308 WeakPolarHBondContact CB-OE2 3.39Å; E306-E308 PolarHBondContact O-N 3.17Å; E308-L310 VanDerWaalsContact C-N 3.33Å; E308-L310 PolarHBondContact O-N 3.04Å; E308-C311 HydrophobicContact CB-CB 4.3Å; E308-C311 WeakPolarHBondContact O-CB 3.35Å; E308-C311 PolarHBondContact O-N 3.25Å; E308-C311 VanDerWaalsContact O-N 3.1Å; E308-D312 PolarHBondContact O-N 3.33Å; E308-D312 VanDerWaalsContact O-N 3.16Å; E308-E610 WeakPolarHBondContact CA-OE2 3.34Å; E308-E610 WeakPolarHBondContact CG-OE2 3.45Å
309	F	87.2	Confident	91.5	Very high	17 Å²	17	14.3 Å²	14.3	8%	0.075	7%	0.066	C	C	.	.	H	α-helix	trans	-54.8	-46.7	-178.1	156.3	-112.1	0	0	0	112.5	C311 D312 F313 E610 M611 V619	F309-C311 PolarHBondContact O-N 3.12Å; F309-D312 PolarHBondContact O-N 3.24Å; F309-F313 HydrophobicContact CE2-CB 4.08Å; F309-F313 AromaticContact CE2-CD2 3.8Å; F309-F313 HydrophobicContact CE2-CD2 3.8Å; F309-F313 HydrophobicContact CE2-CG 4.43Å; F309-F313 HydrophobicContact CZ-CB 4.23Å; F309-F313 AromaticContact CZ-CD2 3.62Å; F309-F313 HydrophobicContact CZ-CD2 3.62Å; F309-F313 HydrophobicContact CZ-CE2 4.36Å; F309-F313 HydrophobicContact CZ-CG 4.3Å; F309-F313 PolarHBondContact O-N 2.95Å; F309-E610 HydrophobicContact CB-CB 4.46Å; F309-E610 HydrophobicContact CB-CG 4.33Å; F309-E610 PolarHBondContact N-OE2 3.09Å; F309-E610 VanDerWaalsContact N-OE2 3.13Å; F309-M611 HydrophobicContact CD2-CB 4.22Å; F309-M611 HydrophobicContact CD2-CG 4.07Å; F309-M611 HydrophobicContact CD2-SD 3.86Å; F309-M611 HydrophobicContact CE2-SD 4.1Å; F309-V619 HydrophobicContact CD1-CG2 3.82Å; F309-V619 HydrophobicContact CD2-CB 4.34Å; F309-V619 HydrophobicContact CD2-CG1 4.09Å; F309-V619 HydrophobicContact CD2-CG2 3.57Å; F309-V619 HydrophobicContact CE1-CB 4.08Å; F309-V619 HydrophobicContact CE1-CG1 4.46Å; F309-V619 HydrophobicContact CE1-CG2 3.58Å; F309-V619 HydrophobicContact CE2-CB 3.66Å; F309-V619 HydrophobicContact CE2-CG1 3.2Å; F309-V619 HydrophobicContact CE2-CG2 3.38Å; F309-V619 HydrophobicContact CG-CG2 3.84Å; F309-V619 VanDerWaalsContact CZ-CA 3.43Å; F309-V619 HydrophobicContact CZ-CB 3.53Å; F309-V619 HydrophobicContact CZ-CG1 3.46Å; F309-V619 VanDerWaalsContact CZ-CG1 3.46Å; F309-V619 HydrophobicContact CZ-CG2 3.41Å; F309-V619 VanDerWaalsContact CZ-CG2 3.41Å
310	L	87.8	Confident	91.2	Very high	23 Å²	23	18 Å²	18	12%	0.12	8%	0.08	C	C	.	.	H	α-helix	trans	-65.9	-30.4	-178.4	-62.6	-175.4	0	0	0	113	T280 L284 E308 L314 R622	T280-L310 VanDerWaalsContact CG2-C 3.47Å; T280-L310 HydrophobicContact CG2-CB 3.78Å; T280-L310 WeakPolarHBondContact CG2-O 3.37Å; L284-L310 HydrophobicContact CD1-CB 4.17Å; L284-L310 HydrophobicContact CD1-CD2 3.86Å; E308-L310 VanDerWaalsContact C-N 3.33Å; E308-L310 PolarHBondContact O-N 3.04Å; L310-L314 WeakPolarHBondContact O-CB 3.34Å; L310-L314 PolarHBondContact O-N 3.36Å; L310-R622 VanDerWaalsContact CD2-CZ 3.42Å
311	C	91.7	Very high	90.8	Very high	5 Å²	5	18.1 Å²	18.1	3%	0.034	8%	0.081	C	C	.	.	H	α-helix	trans	-65.5	-52.9	174.7	-175.9	0	0	0	0	109.9	E308 F309 F313 L314 L315	E308-C311 HydrophobicContact CB-CB 4.3Å; E308-C311 WeakPolarHBondContact O-CB 3.35Å; E308-C311 PolarHBondContact O-N 3.25Å; E308-C311 VanDerWaalsContact O-N 3.1Å; F309-C311 PolarHBondContact O-N 3.12Å; C311-F313 VanDerWaalsContact C-N 3.25Å; C311-F313 PolarHBondContact O-N 3.33Å; C311-L314 WeakPolarHBondContact O-CB 3.41Å; C311-L314 PolarHBondContact O-N 3Å; C311-L314 VanDerWaalsContact O-N 3.08Å; C311-L315 WeakPolarHBondContact O-CG 3.5Å; C311-L315 PolarHBondContact O-N 2.7Å
312	D	91.1	Very high	90.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-57.6	-40	178.5	-74.3	-1.2	0	0	0	111.7	R307 E308 F309 L315 C316	R307-D312 IonicContact CZ-OD1 3.01Å; R307-D312 IonicContact CZ-OD2 3.63Å; R307-D312 IonicContact NE-OD1 2.82Å; R307-D312 PolarHBondContact NE-OD1 2.68Å; R307-D312 IonicContact NE-OD2 3.65Å; R307-D312 PolarHBondContact NE-OD2 2.82Å; R307-D312 IonicContact NH2-OD1 3.14Å; R307-D312 PolarHBondContact NH2-OD1 3.08Å; R307-D312 IonicContact NH2-OD2 2.82Å; R307-D312 PolarHBondContact NH2-OD2 3.24Å; E308-D312 PolarHBondContact O-N 3.33Å; E308-D312 VanDerWaalsContact O-N 3.16Å; F309-D312 PolarHBondContact O-N 3.24Å; D312-L315 PolarHBondContact O-N 3.05Å; D312-C316 PolarHBondContact O-N 3.07Å
313	F	88.4	Confident	90.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.7	-47.4	174.6	-166.3	-70.3	0	0	0	112.1	L284 F309 C311 L315 C316 M317 R622 I623 L626 L628 F634	L284-F313 HydrophobicContact CD1-CB 4.48Å; L284-F313 HydrophobicContact CD1-CD1 4.09Å; L284-F313 HydrophobicContact CD1-CG 4.46Å; L284-F313 HydrophobicContact CD2-CD1 3.5Å; L284-F313 HydrophobicContact CD2-CE1 3.92Å; L284-F313 HydrophobicContact CG-CD1 4.45Å; F309-F313 HydrophobicContact CE2-CB 4.08Å; F309-F313 AromaticContact CE2-CD2 3.8Å; F309-F313 HydrophobicContact CE2-CD2 3.8Å; F309-F313 HydrophobicContact CE2-CG 4.43Å; F309-F313 HydrophobicContact CZ-CB 4.23Å; F309-F313 AromaticContact CZ-CD2 3.62Å; F309-F313 HydrophobicContact CZ-CD2 3.62Å; F309-F313 HydrophobicContact CZ-CE2 4.36Å; F309-F313 HydrophobicContact CZ-CG 4.3Å; F309-F313 PolarHBondContact O-N 2.95Å; C311-F313 VanDerWaalsContact C-N 3.25Å; C311-F313 PolarHBondContact O-N 3.33Å; F313-L315 VanDerWaalsContact C-N 3.31Å; F313-L315 PolarHBondContact O-N 3.32Å; F313-C316 WeakPolarHBondContact O-CB 3.48Å; F313-C316 PolarHBondContact O-N 3.39Å; F313-M317 HydrophobicContact CD1-CG 3.93Å; F313-M317 HydrophobicContact CE1-CG 3.83Å; F313-M317 HydrophobicContact CE1-SD 4.37Å; F313-M317 PolarHBondContact O-N 3.28Å; F313-R622 HydrophobicContact CE2-CB 4.16Å; F313-R622 HydrophobicContact CZ-CB 4.21Å; F313-I623 HydrophobicContact CE2-CG1 3.54Å; F313-I623 HydrophobicContact CZ-CG1 4.15Å; F313-L626 HydrophobicContact CE1-CD1 3.71Å; F313-L626 HydrophobicContact CZ-CD1 3.92Å; F313-L628 HydrophobicContact CE1-CD1 3.49Å; F313-L628 VanDerWaalsContact CE1-CD1 3.49Å; F313-L628 HydrophobicContact CE2-CD1 4.27Å; F313-L628 HydrophobicContact CZ-CD1 3.23Å; F313-F634 HydrophobicContact CD1-CZ 4.24Å; F313-F634 AromaticContact CD2-CE1 3.76Å; F313-F634 HydrophobicContact CD2-CE1 3.76Å; F313-F634 HydrophobicContact CD2-CZ 4.25Å; F313-F634 HydrophobicContact CE1-CE1 4.42Å; F313-F634 HydrophobicContact CE1-CZ 4.06Å; F313-F634 AromaticContact CE2-CE1 3.64Å; F313-F634 HydrophobicContact CE2-CE1 3.64Å; F313-F634 HydrophobicContact CE2-CZ 4.11Å; F313-F634 HydrophobicContact CG-CE1 4.27Å; F313-F634 HydrophobicContact CG-CZ 4.36Å; F313-F634 HydrophobicContact CZ-CE1 4Å; F313-F634 HydrophobicContact CZ-CZ 4.02Å
314	L	92.3	Very high	90.8	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.3	-42.4	176.5	175	63.5	0	0	0	111.1	T231 T280 I283 L284 F287 V301 L310 C311 C316 M317 L318	T231-L314 HydrophobicContact CG2-CD2 3.75Å; T280-L314 HydrophobicContact CG2-CB 3.92Å; T280-L314 HydrophobicContact CG2-CD2 3.9Å; I283-L314 HydrophobicContact CD1-CD1 4.24Å; I283-L314 HydrophobicContact CG1-CD1 4.38Å; I283-L314 HydrophobicContact CG2-CD1 3.89Å; I283-L314 HydrophobicContact CG2-CD2 3.82Å; I283-L314 HydrophobicContact CG2-CG 4.46Å; L284-L314 HydrophobicContact CD2-CB 4.19Å; L284-L314 HydrophobicContact CD2-CD1 4.25Å; F287-L314 HydrophobicContact CE2-CD1 3.72Å; F287-L314 HydrophobicContact CZ-CD1 4.31Å; V301-L314 HydrophobicContact CG1-CD2 4.23Å; V301-L314 HydrophobicContact CG2-CD2 3.83Å; V301-L314 HydrophobicContact CG2-CG 4.44Å; L310-L314 WeakPolarHBondContact O-CB 3.34Å; L310-L314 PolarHBondContact O-N 3.36Å; C311-L314 WeakPolarHBondContact O-CB 3.41Å; C311-L314 PolarHBondContact O-N 3Å; C311-L314 VanDerWaalsContact O-N 3.08Å; L314-C316 VanDerWaalsContact C-N 3.29Å; L314-C316 PolarHBondContact O-N 3.43Å; L314-M317 WeakPolarHBondContact O-CB 3.22Å; L314-M317 PolarHBondContact O-N 3.44Å; L314-M317 VanDerWaalsContact O-N 3.16Å; L314-L318 HydrophobicContact CD1-CD1 4.18Å; L314-L318 HydrophobicContact CD1-CD2 4.35Å; L314-L318 HydrophobicContact CD1-CG 3.97Å; L314-L318 HydrophobicContact CD2-CD1 4.44Å; L314-L318 HydrophobicContact CG-CD1 3.91Å; L314-L318 HydrophobicContact CG-CG 4.15Å; L314-L318 WeakPolarHBondContact O-CB 3.49Å; L314-L318 VanDerWaalsContact O-CG 3.27Å; L314-L318 WeakPolarHBondContact O-CG 3.43Å; L314-L318 PolarHBondContact O-N 2.98Å
315	L	94.9	Very high	90.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-60.5	-40.1	177.3	-63.8	179.4	0	0	0	111.7	V301 C311 D312 F313 L318 K319 L332 F342 Y345 F346	V301-L315 HydrophobicContact CB-CD2 4.3Å; V301-L315 HydrophobicContact CG1-CD2 4.2Å; V301-L315 HydrophobicContact CG2-CD2 4.13Å; C311-L315 WeakPolarHBondContact O-CG 3.5Å; C311-L315 PolarHBondContact O-N 2.7Å; D312-L315 PolarHBondContact O-N 3.05Å; F313-L315 VanDerWaalsContact C-N 3.31Å; F313-L315 PolarHBondContact O-N 3.32Å; L315-L318 PolarHBondContact O-N 3.4Å; L315-K319 WeakPolarHBondContact O-CB 3.5Å; L315-K319 PolarHBondContact O-N 3.05Å; L315-L332 HydrophobicContact CD2-CD1 4.16Å; L315-L332 HydrophobicContact CD2-CD2 3.4Å; L315-L332 HydrophobicContact CD2-CG 4.43Å; L315-F342 HydrophobicContact CD1-CD1 3.85Å; L315-F342 HydrophobicContact CD1-CE1 3.59Å; L315-Y345 HydrophobicContact CB-CE1 4.43Å; L315-F346 HydrophobicContact CB-CE2 4.26Å; L315-F346 HydrophobicContact CB-CZ 4.18Å; L315-F346 HydrophobicContact CD2-CE2 4.07Å; L315-F346 HydrophobicContact CD2-CZ 4.17Å
316	C	91.9	Very high	91.3	Very high	2 Å²	2	29 Å²	29	1%	0.014	15%	0.152	C	C	.	.	H	α-helix	trans	-62.3	-43.9	174.3	-171.2	0	0	0	0	111.9	D312 F313 L314 K319 R320 Y345 F634	D312-C316 PolarHBondContact O-N 3.07Å; F313-C316 WeakPolarHBondContact O-CB 3.48Å; F313-C316 PolarHBondContact O-N 3.39Å; L314-C316 VanDerWaalsContact C-N 3.29Å; L314-C316 PolarHBondContact O-N 3.43Å; C316-K319 PolarHBondContact O-N 3.23Å; C316-R320 PolarHBondContact O-N 2.9Å; C316-R320 VanDerWaalsContact O-N 3.12Å; C316-Y345 WeakPolarHBondContact CA-OH 3.32Å; C316-F634 HydrophobicContact CB-CE2 4.37Å; C316-F634 HydrophobicContact CB-CZ 3.95Å; C316-F634 VanDerWaalsContact SG-CE2 3.59Å
317	M	90.6	Very high	91.8	Very high	5 Å²	5	30.8 Å²	30.8	3%	0.025	16%	0.163	C	C	.	.	H	α-helix	trans	-62	-45.9	175	-71.3	-59.6	-67.2	0	0	112.3	L284 F287 F313 L314 K319 R320 I321 L628 F634	L284-M317 HydrophobicContact CD2-CG 4.43Å; F287-M317 HydrophobicContact CB-CE 4.38Å; F287-M317 HydrophobicContact CD1-CE 3.39Å; F287-M317 HydrophobicContact CE1-CB 4.06Å; F287-M317 HydrophobicContact CE1-CE 3.66Å; F287-M317 HydrophobicContact CE2-CB 4.09Å; F287-M317 HydrophobicContact CG-CE 3.88Å; F287-M317 HydrophobicContact CZ-CB 3.71Å; F287-M317 HydrophobicContact CZ-CE 4.36Å; F313-M317 HydrophobicContact CD1-CG 3.93Å; F313-M317 HydrophobicContact CE1-CG 3.83Å; F313-M317 HydrophobicContact CE1-SD 4.37Å; F313-M317 PolarHBondContact O-N 3.28Å; L314-M317 WeakPolarHBondContact O-CB 3.22Å; L314-M317 PolarHBondContact O-N 3.44Å; L314-M317 VanDerWaalsContact O-N 3.16Å; M317-K319 VanDerWaalsContact C-N 3.32Å; M317-K319 PolarHBondContact O-N 3.3Å; M317-R320 PolarHBondContact O-N 3.33Å; M317-R320 VanDerWaalsContact O-N 3.13Å; M317-I321 PolarHBondContact O-N 3.11Å; M317-L628 HydrophobicContact CE-CD1 4.48Å; M317-L628 HydrophobicContact CE-CD2 3.54Å; M317-L628 HydrophobicContact CG-CD1 4.45Å; M317-L628 HydrophobicContact SD-CD1 3.44Å; M317-L628 WeakPolarHBondContact SD-CD1 3.21Å; M317-L628 HydrophobicContact SD-CD2 3.36Å; M317-L628 WeakPolarHBondContact SD-CD2 3.39Å; M317-L628 HydrophobicContact SD-CG 4.03Å; M317-F634 HydrophobicContact SD-CE2 4.08Å; M317-F634 HydrophobicContact SD-CZ 4.34Å
318	L	95	Very high	92.2	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61	-41.4	177.5	-69.1	177.8	0	0	0	111.6	F287 I299 V301 L314 L315 R320 I321 A322 I330	F287-L318 HydrophobicContact CZ-CD2 4.49Å; I299-L318 HydrophobicContact CD1-CD2 3.58Å; I299-L318 HydrophobicContact CG2-CD1 3.97Å; I299-L318 HydrophobicContact CG2-CD2 4.23Å; V301-L318 HydrophobicContact CG2-CD1 3.58Å; L314-L318 HydrophobicContact CD1-CD1 4.18Å; L314-L318 HydrophobicContact CD1-CD2 4.35Å; L314-L318 HydrophobicContact CD1-CG 3.97Å; L314-L318 HydrophobicContact CD2-CD1 4.44Å; L314-L318 HydrophobicContact CG-CD1 3.91Å; L314-L318 HydrophobicContact CG-CG 4.15Å; L314-L318 WeakPolarHBondContact O-CB 3.49Å; L314-L318 VanDerWaalsContact O-CG 3.27Å; L314-L318 WeakPolarHBondContact O-CG 3.43Å; L314-L318 PolarHBondContact O-N 2.98Å; L315-L318 PolarHBondContact O-N 3.4Å; L318-R320 VanDerWaalsContact C-N 3.29Å; L318-R320 PolarHBondContact O-N 3.41Å; L318-I321 HydrophobicContact CD2-CD1 3.97Å; L318-I321 HydrophobicContact CD2-CG1 4.48Å; L318-I321 PolarHBondContact O-N 3.26Å; L318-A322 VanDerWaalsContact O-CB 3.31Å; L318-A322 WeakPolarHBondContact O-CB 3.3Å; L318-A322 PolarHBondContact O-N 3.16Å; L318-I330 HydrophobicContact CB-CD1 3.96Å; L318-I330 HydrophobicContact CD1-CG2 4.03Å; L318-I330 HydrophobicContact CD2-CD1 4.37Å; L318-I330 HydrophobicContact CD2-CG1 4.44Å
319	K	93.6	Very high	92.6	Very high	66 Å²	66	30.7 Å²	30.7	29%	0.287	16%	0.16	S	C	.	.	H	α-helix	trans	-61.6	-36	175.1	-173.3	168	-175.9	169.1	0	112.4	L315 C316 M317 P323 Y345 F346 D347	L315-K319 WeakPolarHBondContact O-CB 3.5Å; L315-K319 PolarHBondContact O-N 3.05Å; C316-K319 PolarHBondContact O-N 3.23Å; M317-K319 VanDerWaalsContact C-N 3.32Å; M317-K319 PolarHBondContact O-N 3.3Å; K319-P323 VanDerWaalsContact O-CD 3.3Å; K319-P323 WeakPolarHBondContact O-CD 3.34Å; K319-Y345 HydrophobicContact CB-CE1 4.21Å; K319-Y345 HydrophobicContact CD-CD1 4.24Å; K319-Y345 HydrophobicContact CD-CE1 3.75Å; K319-Y345 HydrophobicContact CD-CE2 4.29Å; K319-Y345 WeakPolarHBondContact CE-O 3.39Å; K319-Y345 PolarHBondContact NZ-O 2.93Å; K319-F346 HydrophobicContact CB-CE1 3.89Å; K319-F346 HydrophobicContact CB-CZ 4.39Å; K319-F346 HydrophobicContact CG-CE1 4.5Å; K319-D347 IonicContact NZ-OD1 3.22Å; K319-D347 PolarHBondContact NZ-OD1 3.27Å
320	R	90.3	Very high	93.2	Very high	78 Å²	78	29.9 Å²	29.9	29%	0.294	16%	0.157	S	C	.	.	H	α-helix	trans	-73.2	-38	177.1	-72.7	179	68	171.4	1.9	113.5	C316 M317 L318 L628	C316-R320 PolarHBondContact O-N 2.9Å; C316-R320 VanDerWaalsContact O-N 3.12Å; M317-R320 PolarHBondContact O-N 3.33Å; M317-R320 VanDerWaalsContact O-N 3.13Å; L318-R320 VanDerWaalsContact C-N 3.29Å; L318-R320 PolarHBondContact O-N 3.41Å; R320-L628 PolarHBondContact NH1-O 3.38Å
321	I	91.7	Very high	93.7	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-84.5	-22.7	-178.5	68.8	170	0	0	0	113.3	F287 L293 M317 L318 L324 R325 L328	F287-I321 HydrophobicContact CE1-CD1 4.02Å; F287-I321 HydrophobicContact CE1-CG2 4.06Å; F287-I321 HydrophobicContact CZ-CD1 4.15Å; L293-I321 HydrophobicContact CD1-CD1 4.33Å; M317-I321 PolarHBondContact O-N 3.11Å; L318-I321 HydrophobicContact CD2-CD1 3.97Å; L318-I321 HydrophobicContact CD2-CG1 4.48Å; L318-I321 PolarHBondContact O-N 3.26Å; I321-L324 CarbonylContact O-C 3.54Å; I321-L324 WeakPolarHBondContact O-CA 3.48Å; I321-L324 WeakPolarHBondContact O-CB 3.38Å; I321-L324 PolarHBondContact O-N 3.02Å; I321-R325 PolarHBondContact O-N 3.02Å; I321-L328 HydrophobicContact CD1-CD2 3.61Å; I321-L328 HydrophobicContact CG1-CD2 4.22Å
322	A	94	Very high	93.9	Very high	8 Å²	8	28.6 Å²	28.6	7%	0.066	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-54.6	-44.5	-177.1	0	0	0	0	0	113	Q193 L318 L324 R325 I330	Q193-A322 PolarHBondContact NE2-O 2.85Å; L318-A322 VanDerWaalsContact O-CB 3.31Å; L318-A322 WeakPolarHBondContact O-CB 3.3Å; L318-A322 PolarHBondContact O-N 3.16Å; A322-L324 PolarHBondContact O-N 2.85Å; A322-R325 CarbonylContact O-C 3.56Å; A322-R325 PolarHBondContact O-N 3.25Å; A322-I330 HydrophobicContact CB-CD1 4.03Å
323	P	93.1	Very high	94.1	Very high	103 Å²	103	28.6 Å²	28.6	67%	0.669	15%	0.149	S	C	*	.	G	3₁₀ helix	trans	-62	-28.2	174.3	-23.8	34.9	0	0	0	114.2	K319	K319-P323 VanDerWaalsContact O-CD 3.3Å; K319-P323 WeakPolarHBondContact O-CD 3.34Å
324	L	93	Very high	94.2	Very high	75 Å²	75	28.6 Å²	28.6	39%	0.393	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-86.4	-16.7	-179.7	-55.4	176.6	0	0	0	112.9	F116 L292 I321 A322	F116-L324 HydrophobicContact CE2-CD1 3.7Å; F116-L324 HydrophobicContact CZ-CD1 4.44Å; L292-L324 HydrophobicContact CD2-CB 4.18Å; L292-L324 HydrophobicContact CD2-CD1 3.94Å; I321-L324 CarbonylContact O-C 3.54Å; I321-L324 WeakPolarHBondContact O-CA 3.48Å; I321-L324 WeakPolarHBondContact O-CB 3.38Å; I321-L324 PolarHBondContact O-N 3.02Å; A322-L324 PolarHBondContact O-N 2.85Å
325	R	94.2	Very high	93.6	Very high	18 Å²	18	29.4 Å²	29.4	7%	0.068	16%	0.156	C	C	.	.			trans	-130.8	69.5	-175.8	-74.1	-67.6	-52.9	-72.3	1.8	110.7	Q193 L292 L293 I296 I321 A322 D327 L328	Q193-R325 PolarHBondContact NE2-O 3.29Å; L292-R325 PolarHBondContact O-NH1 2.83Å; L293-R325 PolarHBondContact O-NH1 2.87Å; I296-R325 PolarHBondContact O-NH2 2.6Å; I321-R325 PolarHBondContact O-N 3.02Å; A322-R325 CarbonylContact O-C 3.56Å; A322-R325 PolarHBondContact O-N 3.25Å; R325-D327 IonicContact CZ-OD1 3.43Å; R325-D327 IonicContact CZ-OD2 3.16Å; R325-D327 IonicContact NE-OD1 3.75Å; R325-D327 PolarHBondContact NE-OD1 2.92Å; R325-D327 IonicContact NE-OD2 3.27Å; R325-D327 PolarHBondContact NE-OD2 3.42Å; R325-D327 IonicContact NH2-OD1 2.79Å; R325-D327 IonicContact NH2-OD2 2.84Å; R325-D327 PolarHBondContact NH2-OD2 2.85Å; R325-D327 PolarHBondContact O-N 3.42Å; R325-D327 VanDerWaalsContact O-N 3.1Å; R325-L328 HydrophobicContact CB-CB 3.77Å; R325-L328 HydrophobicContact CB-CD2 4.38Å; R325-L328 WeakPolarHBondContact O-CB 3.31Å; R325-L328 PolarHBondContact O-N 2.94Å
326	P	94.3	Very high	92.5	Very high	95 Å²	95	31.3 Å²	31.3	62%	0.617	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-19.7	179.4	25.9	-35.1	0	0	0	113.5
327	D	94.5	Very high	91.1	Very high	87 Å²	87	34.6 Å²	34.6	47%	0.465	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-25.2	175.5	65.7	-56.4	0	0	0	113.7	R325	R325-D327 IonicContact CZ-OD1 3.43Å; R325-D327 IonicContact CZ-OD2 3.16Å; R325-D327 IonicContact NE-OD1 3.75Å; R325-D327 PolarHBondContact NE-OD1 2.92Å; R325-D327 IonicContact NE-OD2 3.27Å; R325-D327 PolarHBondContact NE-OD2 3.42Å; R325-D327 IonicContact NH2-OD1 2.79Å; R325-D327 IonicContact NH2-OD2 2.84Å; R325-D327 PolarHBondContact NH2-OD2 2.85Å; R325-D327 PolarHBondContact O-N 3.42Å; R325-D327 VanDerWaalsContact O-N 3.1Å
328	L	97	Very high	90.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.186	C	C	.	.			trans	-73.9	127.3	-177.9	177.3	67.7	0	0	0	111.2	Q193 I296 I299 I321 R325 I330	Q193-L328 WeakPolarHBondContact CG-O 3.32Å; I296-L328 HydrophobicContact CG2-CD1 4.25Å; I299-L328 HydrophobicContact CD1-CD1 3.97Å; I299-L328 HydrophobicContact CD1-CD2 4.09Å; I299-L328 HydrophobicContact CG1-CD1 4.07Å; I321-L328 HydrophobicContact CD1-CD2 3.61Å; I321-L328 HydrophobicContact CG1-CD2 4.22Å; R325-L328 HydrophobicContact CB-CB 3.77Å; R325-L328 HydrophobicContact CB-CD2 4.38Å; R325-L328 WeakPolarHBondContact O-CB 3.31Å; R325-L328 PolarHBondContact O-N 2.94Å; L328-I330 HydrophobicContact CD2-CD1 4.46Å; L328-I330 HydrophobicContact CD2-CG1 4.37Å; L328-I330 HydrophobicContact CG-CG1 4.34Å
329	R	98.4	Very high	89.6	Confident	62 Å²	62	34.8 Å²	34.8	23%	0.234	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	128.3	175.2	-53.9	-55.1	172.8	140.7	-1	111.6	I189 R190 N192 Q193 S297 H298 I299	I189-R329 HydrophobicContact CG2-CB 4.36Å; I189-R329 PolarHBondContact O-NH1 2.85Å; R190-R329 VanDerWaalsContact O-CZ 3.25Å; R190-R329 PolarHBondContact O-NH1 3.21Å; R190-R329 PolarHBondContact O-NH2 3.39Å; N192-R329 PolarHBondContact O-NH1 3.31Å; Q193-R329 CarbonylContact O-C 3.55Å; Q193-R329 WeakPolarHBondContact O-CA 3.43Å; S297-R329 PolarHBondContact O-N 2.8Å; H298-R329 CarbonylContact C-O 3.54Å; H298-R329 VanDerWaalsContact CA-O 3.28Å; H298-R329 WeakPolarHBondContact CA-O 3.32Å; I299-R329 PolarHBondContact N-O 2.96Å
330	I	98.5	Very high	89.3	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	122.8	-179.2	-62	160.6	0	0	0	108.8	Q193 V194 V195 I299 L318 A322 L328 L332	Q193-I330 PolarHBondContact O-N 3.47Å; V194-I330 CarbonylContact C-O 3.46Å; V194-I330 VanDerWaalsContact CA-O 3.29Å; V194-I330 WeakPolarHBondContact CA-O 3.48Å; V194-I330 HydrophobicContact CG1-CB 4.33Å; V194-I330 HydrophobicContact CG1-CG2 4.25Å; V194-I330 HydrophobicContact CG2-CB 4.24Å; V194-I330 HydrophobicContact CG2-CD1 4.27Å; V195-I330 PolarHBondContact N-O 3.26Å; I299-I330 CarbonylContact O-C 3.56Å; I299-I330 WeakPolarHBondContact O-CA 3.46Å; L318-I330 HydrophobicContact CB-CD1 3.96Å; L318-I330 HydrophobicContact CD1-CG2 4.03Å; L318-I330 HydrophobicContact CD2-CD1 4.37Å; L318-I330 HydrophobicContact CD2-CG1 4.44Å; A322-I330 HydrophobicContact CB-CD1 4.03Å; L328-I330 HydrophobicContact CD2-CD1 4.46Å; L328-I330 HydrophobicContact CD2-CG1 4.37Å; L328-I330 HydrophobicContact CG-CG1 4.34Å; I330-L332 HydrophobicContact CG2-CD2 3.91Å; I330-L332 HydrophobicContact CG2-CG 4.49Å
331	V	98.4	Very high	89.3	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	122.9	178.2	-176	0	0	0	0	109.2	I189 V195 I197 I299 I300 V301 M333	I189-V331 HydrophobicContact CD1-CG2 3.89Å; I189-V331 HydrophobicContact CG1-CG2 3.96Å; I189-V331 HydrophobicContact CG2-CG2 4.11Å; V195-V331 CarbonylContact O-C 3.52Å; V195-V331 WeakPolarHBondContact O-CA 3.33Å; I197-V331 HydrophobicContact CD1-CG1 3.67Å; I197-V331 HydrophobicContact CG1-CG1 3.98Å; I299-V331 PolarHBondContact O-N 3.27Å; I300-V331 CarbonylContact C-O 3.55Å; I300-V331 VanDerWaalsContact CA-O 3.25Å; I300-V331 WeakPolarHBondContact CA-O 3.36Å; I300-V331 HydrophobicContact CB-CB 4.4Å; I300-V331 HydrophobicContact CG1-CB 4.08Å; I300-V331 HydrophobicContact CG1-CG2 4.42Å; I300-V331 HydrophobicContact CG2-CB 4.17Å; I300-V331 HydrophobicContact CG2-CG1 4.3Å; V301-V331 PolarHBondContact N-O 2.92Å; V331-M333 HydrophobicContact CG1-CG 4.3Å
332	L	97.6	Very high	89.3	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	122.4	176.7	-51.9	-175.2	0	0	0	109.4	V195 I196 I197 V301 V304 L315 I330 F342 F346	V195-L332 PolarHBondContact O-N 3.33Å; I196-L332 CarbonylContact C-O 3.58Å; I196-L332 WeakPolarHBondContact CA-O 3.35Å; I196-L332 HydrophobicContact CG1-CB 3.96Å; I196-L332 HydrophobicContact CG1-CD1 4.01Å; I196-L332 HydrophobicContact CG1-CG 4.31Å; I197-L332 PolarHBondContact N-O 2.58Å; V301-L332 HydrophobicContact CB-CD2 3.78Å; V301-L332 HydrophobicContact CG2-CD2 3.87Å; V304-L332 HydrophobicContact CG1-CB 4.38Å; L315-L332 HydrophobicContact CD2-CD1 4.16Å; L315-L332 HydrophobicContact CD2-CD2 3.4Å; L315-L332 HydrophobicContact CD2-CG 4.43Å; I330-L332 HydrophobicContact CG2-CD2 3.91Å; I330-L332 HydrophobicContact CG2-CG 4.49Å; L332-F342 HydrophobicContact CD1-CB 4.15Å; L332-F342 HydrophobicContact CD1-CD1 4.49Å; L332-F346 HydrophobicContact CD1-CD2 3.57Å; L332-F346 HydrophobicContact CD1-CE2 3.46Å; L332-F346 VanDerWaalsContact CD1-CE2 3.46Å; L332-F346 HydrophobicContact CD1-CZ 4.35Å
333	M	95.1	Very high	89.4	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	122.6	179.7	-60.7	-170.4	-61.7	0	0	111.2	I197 K205 V209 V230 I300 V301 D302 E303 V304 V331	I197-M333 HydrophobicContact CB-CG 4.43Å; I197-M333 WeakPolarHBondContact O-CA 3.47Å; K205-M333 HydrophobicContact CB-SD 3.88Å; V209-M333 HydrophobicContact CB-SD 4.24Å; V209-M333 HydrophobicContact CG2-SD 4.43Å; V230-M333 HydrophobicContact CG1-CE 4.43Å; I300-M333 HydrophobicContact CG2-CE 3.33Å; I300-M333 HydrophobicContact CG2-CG 3.95Å; I300-M333 HydrophobicContact CG2-SD 3.81Å; V301-M333 PolarHBondContact O-N 3.23Å; D302-M333 HydrophobicContact CB-CE 3.51Å; D302-M333 VanDerWaalsContact OD1-CB 3.3Å; D302-M333 WeakPolarHBondContact OD1-CB 3.48Å; D302-M333 VanDerWaalsContact OD1-CE 3.29Å; D302-M333 WeakPolarHBondContact OD1-CE 3.21Å; E303-M333 PolarHBondContact N-O 3.32Å; V304-M333 WeakPolarHBondContact CG2-O 3.42Å; V304-M333 PolarHBondContact N-O 3.28Å; V331-M333 HydrophobicContact CG1-CG 4.3Å
334	S	89.3	Confident	89.4	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.007	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	166.1	-173.2	-164.7	0	0	0	0	112.9	I197 S198 G199 K205	I197-S334 PolarHBondContact O-N 2.9Å; S198-S334 WeakPolarHBondContact CA-O 3.24Å; G199-S334 PolarHBondContact N-O 2.91Å; G199-S334 VanDerWaalsContact N-O 3.16Å; K205-S334 WeakPolarHBondContact CE-O 3.48Å
335	A	80.1	Confident	89.4	Confident	16 Å²	16	36.1 Å²	36.1	13%	0.132	19%	0.186	C	C	.	.			trans	-77.9	156.8	164.5	0	0	0	0	0	110	H305 I337 N338	H305-A335 PolarHBondContact ND1-N 3.07Å; A335-I337 VanDerWaalsContact C-N 3.31Å; A335-I337 PolarHBondContact O-N 3.46Å; A335-N338 PolarHBondContact O-N 2.58Å
336	T	71	Confident	89.5	Confident	41 Å²	41	35.7 Å²	35.7	25%	0.252	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-51.7	-43.3	-172.1	48.8	0	0	0	0	114.2	E200 N338 E353	E200-T336 HydrophobicContact CG-CG2 4.29Å; T336-N338 PolarHBondContact O-N 3.36Å; T336-E353 HydrophobicContact CG2-CG 4.44Å; T336-E353 WeakPolarHBondContact CG2-OE1 3.35Å
337	I	63.1	Low	89.5	Confident	70 Å²	70	37 Å²	37	36%	0.359	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-69.9	-32.1	-172.7	-55.7	175.6	0	0	0	111.8	A335 F606	A335-I337 VanDerWaalsContact C-N 3.31Å; A335-I337 PolarHBondContact O-N 3.46Å; I337-F606 HydrophobicContact CB-CE1 3.81Å; I337-F606 HydrophobicContact CB-CZ 4.11Å; I337-F606 HydrophobicContact CG2-CD1 4.45Å; I337-F606 HydrophobicContact CG2-CE1 3.33Å; I337-F606 HydrophobicContact CG2-CE2 4.32Å; I337-F606 HydrophobicContact CG2-CZ 3.27Å; I337-F606 WeakPolarHBondContact O-CZ 3.22Å
338	N	71.3	Confident	89.4	Confident	9 Å²	9	38.8 Å²	38.8	5%	0.048	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-95.4	4.7	-166.7	-156.2	-5	0	0	0	114.8	H305 A335 T336 F342 F606	H305-N338 VanDerWaalsContact CA-ND2 3.3Å; H305-N338 WeakPolarHBondContact CA-ND2 3.36Å; H305-N338 HydrophobicContact CB-CB 3.94Å; H305-N338 WeakPolarHBondContact CB-ND2 3.5Å; A335-N338 PolarHBondContact O-N 2.58Å; T336-N338 PolarHBondContact O-N 3.36Å; N338-F342 HydrophobicContact CB-CE2 4.47Å; N338-F342 WeakPolarHBondContact O-CD2 3.37Å; N338-F342 VanDerWaalsContact O-CE2 3.23Å; N338-F342 WeakPolarHBondContact O-CE2 3.35Å; N338-F606 HydrophobicContact CB-CD1 4.06Å; N338-F606 HydrophobicContact CB-CE1 3.51Å; N338-F606 HydrophobicContact CB-CZ 4.17Å
339	A	82.8	Confident	89.4	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-72.5	-34.5	-168.2	0	0	0	0	0	114	I196 K341 F342 V343 K351	I196-A339 HydrophobicContact CG2-CB 3.96Å; A339-K341 VanDerWaalsContact C-N 3.34Å; A339-K341 PolarHBondContact O-N 2.83Å; A339-F342 PolarHBondContact O-N 3.42Å; A339-F342 VanDerWaalsContact O-N 3.07Å; A339-V343 PolarHBondContact O-N 3.25Å; A339-V343 VanDerWaalsContact O-N 3.09Å; A339-K351 HydrophobicContact CB-CD 3.74Å; A339-K351 VanDerWaalsContact CB-CE 3.42Å; A339-K351 HydrophobicContact CB-CG 4.25Å
340	D	88.4	Confident	89.2	Confident	98 Å²	98	38.7 Å²	38.7	52%	0.524	20%	0.204	S	C	.	.	H	α-helix	trans	-68	-32.9	-165	-56	-19.9	0	0	0	112.8	F342 V343 E344 K351	D340-F342 VanDerWaalsContact C-N 3.29Å; D340-F342 PolarHBondContact O-N 2.93Å; D340-V343 WeakPolarHBondContact O-CB 3.37Å; D340-V343 PolarHBondContact O-N 2.95Å; D340-E344 PolarHBondContact O-N 3.38Å; D340-K351 IonicContact OD1-NZ 2.86Å; D340-K351 PolarHBondContact OD1-NZ 3.47Å
341	K	89.1	Confident	89	Confident	72 Å²	72	42.2 Å²	42.2	31%	0.313	22%	0.219	S	C	.	.	H	α-helix	trans	-64.9	-34.8	175.7	-160.8	-177.3	-179	168	0	112.2	A339 Y345 L639 D640	A339-K341 VanDerWaalsContact C-N 3.34Å; A339-K341 PolarHBondContact O-N 2.83Å; K341-Y345 WeakPolarHBondContact O-CB 3.44Å; K341-Y345 PolarHBondContact O-N 3.35Å; K341-L639 HydrophobicContact CD-CD1 4.22Å; K341-L639 HydrophobicContact CD-CD2 4.32Å; K341-L639 HydrophobicContact CD-CG 4.15Å; K341-L639 HydrophobicContact CG-CD1 4Å; K341-L639 HydrophobicContact CG-CG 4.45Å; K341-D640 IonicContact NZ-OD1 3.66Å; K341-D640 PolarHBondContact NZ-OD1 3.05Å; K341-D640 IonicContact NZ-OD2 3.38Å; K341-D640 PolarHBondContact NZ-OD2 3.45Å
342	F	93.1	Very high	88.8	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-74.5	-33.9	175.5	-59	-75	0	0	0	111.5	I196 V304 L315 L332 N338 A339 D340 Y345 F346 L639	I196-F342 HydrophobicContact CD1-CB 3.57Å; I196-F342 HydrophobicContact CG1-CB 4.25Å; V304-F342 HydrophobicContact CB-CE1 3.99Å; V304-F342 HydrophobicContact CB-CE2 4.22Å; V304-F342 HydrophobicContact CB-CZ 3.73Å; V304-F342 HydrophobicContact CG2-CD1 4.46Å; V304-F342 HydrophobicContact CG2-CD2 3.95Å; V304-F342 HydrophobicContact CG2-CE1 4.06Å; V304-F342 HydrophobicContact CG2-CE2 3.52Å; V304-F342 HydrophobicContact CG2-CG 4.4Å; V304-F342 HydrophobicContact CG2-CZ 3.57Å; V304-F342 WeakPolarHBondContact O-CZ 3.37Å; L315-F342 HydrophobicContact CD1-CD1 3.85Å; L315-F342 HydrophobicContact CD1-CE1 3.59Å; L332-F342 HydrophobicContact CD1-CB 4.15Å; L332-F342 HydrophobicContact CD1-CD1 4.49Å; N338-F342 HydrophobicContact CB-CE2 4.47Å; N338-F342 WeakPolarHBondContact O-CD2 3.37Å; N338-F342 VanDerWaalsContact O-CE2 3.23Å; N338-F342 WeakPolarHBondContact O-CE2 3.35Å; A339-F342 PolarHBondContact O-N 3.42Å; A339-F342 VanDerWaalsContact O-N 3.07Å; D340-F342 VanDerWaalsContact C-N 3.29Å; D340-F342 PolarHBondContact O-N 2.93Å; F342-Y345 PolarHBondContact O-N 3Å; F342-F346 PolarHBondContact O-N 3.16Å; F342-L639 HydrophobicContact CD1-CD2 3.78Å; F342-L639 HydrophobicContact CE1-CD2 3.43Å; F342-L639 VanDerWaalsContact CE1-CD2 3.43Å; F342-L639 HydrophobicContact CZ-CD2 4.15Å
343	V	94.4	Very high	88.5	Confident	23 Å²	23	48.7 Å²	48.7	14%	0.139	25%	0.249	C	C	.	.	H	α-helix	trans	-59.1	-52.5	174.5	171.5	0	0	0	0	109	I196 A339 D340 Y345 F346 N348 K351	I196-V343 VanDerWaalsContact CD1-CA 3.43Å; I196-V343 HydrophobicContact CD1-CB 4.02Å; I196-V343 HydrophobicContact CD1-CG2 3.41Å; I196-V343 VanDerWaalsContact CD1-CG2 3.41Å; A339-V343 PolarHBondContact O-N 3.25Å; A339-V343 VanDerWaalsContact O-N 3.09Å; D340-V343 WeakPolarHBondContact O-CB 3.37Å; D340-V343 PolarHBondContact O-N 2.95Å; V343-Y345 VanDerWaalsContact C-N 3.34Å; V343-Y345 PolarHBondContact O-N 3.42Å; V343-F346 CarbonylContact O-C 3.56Å; V343-F346 PolarHBondContact O-N 3.19Å; V343-N348 HydrophobicContact CG1-CB 4.4Å; V343-N348 WeakPolarHBondContact O-CA 2.9Å; V343-N348 PolarHBondContact O-N 3.34Å; V343-K351 HydrophobicContact CG2-CB 3.86Å; V343-K351 HydrophobicContact CG2-CD 4.31Å; V343-K351 HydrophobicContact CG2-CG 4.48Å
344	E	93.2	Very high	88.3	Confident	141 Å²	141	48.7 Å²	48.7	66%	0.659	25%	0.249	S	C	*	.	H	α-helix	trans	-59.3	-43.9	177.1	-175.3	-178.7	-178.4	0	0	111.8	D340 F346 D347	D340-E344 PolarHBondContact O-N 3.38Å; E344-F346 PolarHBondContact O-N 3.15Å; E344-D347 PolarHBondContact O-N 2.83Å
345	Y	93.9	Very high	88	Confident	25 Å²	25	52.1 Å²	52.1	10%	0.098	27%	0.272	C	S	.	.	H	α-helix	trans	-66.7	-33.5	-178.8	-175.8	-101.4	0	0	0	113.8	L315 C316 K319 K341 F342 V343 D347 N637 L639	L315-Y345 HydrophobicContact CB-CE1 4.43Å; C316-Y345 WeakPolarHBondContact CA-OH 3.32Å; K319-Y345 HydrophobicContact CB-CE1 4.21Å; K319-Y345 HydrophobicContact CD-CD1 4.24Å; K319-Y345 HydrophobicContact CD-CE1 3.75Å; K319-Y345 HydrophobicContact CD-CE2 4.29Å; K319-Y345 WeakPolarHBondContact CE-O 3.39Å; K319-Y345 PolarHBondContact NZ-O 2.93Å; K341-Y345 WeakPolarHBondContact O-CB 3.44Å; K341-Y345 PolarHBondContact O-N 3.35Å; F342-Y345 PolarHBondContact O-N 3Å; V343-Y345 VanDerWaalsContact C-N 3.34Å; V343-Y345 PolarHBondContact O-N 3.42Å; Y345-D347 VanDerWaalsContact C-N 3.32Å; Y345-D347 PolarHBondContact O-N 2.9Å; Y345-N637 WeakPolarHBondContact CE2-O 3.41Å; Y345-N637 PolarHBondContact OH-O 3.02Å; Y345-L639 VanDerWaalsContact CB-CD1 3.4Å; Y345-L639 HydrophobicContact CD1-CD1 4.3Å; Y345-L639 HydrophobicContact CD2-CB 4.36Å; Y345-L639 HydrophobicContact CD2-CD1 3.52Å; Y345-L639 HydrophobicContact CE2-CB 4.4Å; Y345-L639 HydrophobicContact CE2-CD1 4.36Å; Y345-L639 HydrophobicContact CG-CD1 3.48Å; Y345-L639 VanDerWaalsContact CG-CD1 3.48Å
346	F	95.6	Very high	87.4	Confident	9 Å²	9	53.1 Å²	53.1	4%	0.039	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	48.5	174	-75.6	-84.1	0	0	0	111.1	V194 L315 K319 L332 F342 V343 E344 N348 C349	V194-F346 HydrophobicContact CG1-CB 3.93Å; V194-F346 HydrophobicContact CG1-CD1 3.89Å; V194-F346 HydrophobicContact CG1-CG 3.87Å; V194-F346 HydrophobicContact CG2-CD1 4.14Å; L315-F346 HydrophobicContact CB-CE2 4.26Å; L315-F346 HydrophobicContact CB-CZ 4.18Å; L315-F346 HydrophobicContact CD2-CE2 4.07Å; L315-F346 HydrophobicContact CD2-CZ 4.17Å; K319-F346 HydrophobicContact CB-CE1 3.89Å; K319-F346 HydrophobicContact CB-CZ 4.39Å; K319-F346 HydrophobicContact CG-CE1 4.5Å; L332-F346 HydrophobicContact CD1-CD2 3.57Å; L332-F346 HydrophobicContact CD1-CE2 3.46Å; L332-F346 VanDerWaalsContact CD1-CE2 3.46Å; L332-F346 HydrophobicContact CD1-CZ 4.35Å; F342-F346 PolarHBondContact O-N 3.16Å; V343-F346 CarbonylContact O-C 3.56Å; V343-F346 PolarHBondContact O-N 3.19Å; E344-F346 PolarHBondContact O-N 3.15Å; F346-N348 VanDerWaalsContact C-N 3.29Å; F346-N348 PolarHBondContact O-N 3.48Å; F346-C349 HydrophobicContact CB-CB 4.29Å; F346-C349 VanDerWaalsContact O-CB 3.3Å; F346-C349 WeakPolarHBondContact O-CB 3.5Å; F346-C349 PolarHBondContact O-N 2.86Å
347	D	94.3	Very high	87.3	Confident	123 Å²	123	54.1 Å²	54.1	66%	0.658	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	41.2	167	-49.2	-44	0	0	0	113.8	K319 E344 Y345	K319-D347 IonicContact NZ-OD1 3.22Å; K319-D347 PolarHBondContact NZ-OD1 3.27Å; E344-D347 PolarHBondContact O-N 2.83Å; Y345-D347 VanDerWaalsContact C-N 3.32Å; Y345-D347 PolarHBondContact O-N 2.9Å
348	N	93.8	Very high	87.4	Confident	124 Å²	124	52.8 Å²	52.8	66%	0.663	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	37.6	-177	-58.1	-62.9	0	0	0	114.7	V343 F346	V343-N348 HydrophobicContact CG1-CB 4.4Å; V343-N348 WeakPolarHBondContact O-CA 2.9Å; V343-N348 PolarHBondContact O-N 3.34Å; F346-N348 VanDerWaalsContact C-N 3.29Å; F346-N348 PolarHBondContact O-N 3.48Å
349	C	95	Very high	88	Confident	13 Å²	13	55.8 Å²	55.8	9%	0.088	29%	0.29	C	S	.	.			trans	-56.7	155.8	175.1	68.2	0	0	0	0	113.4	V194 I196 F346 K351	V194-C349 HydrophobicContact CB-CB 3.99Å; V194-C349 HydrophobicContact CG1-CB 4.21Å; V194-C349 WeakPolarHBondContact O-CB 3.28Å; I196-C349 VanDerWaalsContact CD1-SG 3.51Å; F346-C349 HydrophobicContact CB-CB 4.29Å; F346-C349 VanDerWaalsContact O-CB 3.3Å; F346-C349 WeakPolarHBondContact O-CB 3.5Å; F346-C349 PolarHBondContact O-N 2.86Å; C349-K351 PolarHBondContact O-N 2.8Å
350	P	96.1	Very high	88.3	Confident	47 Å²	47	60.1 Å²	60.1	31%	0.305	32%	0.318	S	S	.	.			trans	-60.2	136	-178.4	-27.2	36.9	0	0	0	114.1	T188 N192 I196	T188-P350 HydrophobicContact CG2-CB 4.24Å; N192-P350 HydrophobicContact CB-CG 4.18Å; N192-P350 WeakPolarHBondContact OD1-CG 3.44Å; I196-P350 PolarHBondContact N-O 3.23Å
351	K	94.4	Very high	88.4	Confident	74 Å²	74	56.7 Å²	56.7	32%	0.322	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	118.9	172	176.6	-175.4	170.2	-178.1	0	109.6	I196 A339 D340 V343 C349	I196-K351 HydrophobicContact CG2-CG 4.49Å; I196-K351 CarbonylContact O-C 3.46Å; I196-K351 WeakPolarHBondContact O-CA 3.41Å; A339-K351 HydrophobicContact CB-CD 3.74Å; A339-K351 VanDerWaalsContact CB-CE 3.42Å; A339-K351 HydrophobicContact CB-CG 4.25Å; D340-K351 IonicContact OD1-NZ 2.86Å; D340-K351 PolarHBondContact OD1-NZ 3.47Å; V343-K351 HydrophobicContact CG2-CB 3.86Å; V343-K351 HydrophobicContact CG2-CD 4.31Å; V343-K351 HydrophobicContact CG2-CG 4.48Å; C349-K351 PolarHBondContact O-N 2.8Å
352	F	93.3	Very high	88.7	Confident	32 Å²	32	59 Å²	59	14%	0.14	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	125.7	169.3	-162.9	-84.6	0	0	0	109.5	F181 D184 I185 I196 I197 S198 I354	F181-F352 HydrophobicContact CB-CE1 3.77Å; F181-F352 HydrophobicContact CB-CZ 3.73Å; F181-F352 HydrophobicContact CD1-CE1 4.26Å; F181-F352 AromaticContact CD1-CZ 3.84Å; F181-F352 HydrophobicContact CD1-CZ 3.84Å; F181-F352 HydrophobicContact CG-CE1 4.06Å; F181-F352 HydrophobicContact CG-CZ 4.02Å; D184-F352 HydrophobicContact CB-CE2 3.6Å; D184-F352 HydrophobicContact CB-CZ 3.77Å; I185-F352 HydrophobicContact CD1-CE1 4.29Å; I185-F352 HydrophobicContact CG1-CD1 3.85Å; I185-F352 HydrophobicContact CG1-CE1 3.72Å; I185-F352 HydrophobicContact CG1-CG 4.39Å; I185-F352 HydrophobicContact CG1-CZ 4.15Å; I196-F352 PolarHBondContact O-N 3.01Å; I197-F352 WeakPolarHBondContact CA-O 3.13Å; I197-F352 HydrophobicContact CG1-CB 4.43Å; S198-F352 PolarHBondContact N-O 2.84Å; S198-F352 PolarHBondContact OG-O 2.84Å; F352-I354 HydrophobicContact CD1-CG1 3.94Å; F352-I354 HydrophobicContact CE1-CG1 3.99Å
353	E	91.6	Very high	88.8	Confident	105 Å²	105	61.6 Å²	61.6	49%	0.491	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	120.8	176.8	-174.5	168.1	-175.5	0	0	110.2	S198 T336 P355	S198-E353 WeakPolarHBondContact O-CA 3.18Å; T336-E353 HydrophobicContact CG2-CG 4.44Å; T336-E353 WeakPolarHBondContact CG2-OE1 3.35Å; E353-P355 VanDerWaalsContact O-CD 3.23Å; E353-P355 WeakPolarHBondContact O-CD 3.3Å
354	I	90.2	Very high	89	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	107	174.7	-55.1	179.9	0	0	0	107.9	P177 A178 F181 I185 I197 S198 C203 K205 F352	P177-I354 HydrophobicContact CB-CG2 4Å; A178-I354 HydrophobicContact CB-CD1 3.77Å; A178-I354 HydrophobicContact CB-CG2 4.45Å; F181-I354 HydrophobicContact CD2-CG2 4.24Å; I185-I354 HydrophobicContact CD1-CD1 3.79Å; I185-I354 HydrophobicContact CD1-CG1 4.33Å; I197-I354 HydrophobicContact CG2-CD1 3.77Å; I197-I354 HydrophobicContact CG2-CG1 4.16Å; S198-I354 PolarHBondContact O-N 3.18Å; C203-I354 HydrophobicContact CB-CG2 4.12Å; K205-I354 HydrophobicContact CG-CD1 3.82Å; F352-I354 HydrophobicContact CD1-CG1 3.94Å; F352-I354 HydrophobicContact CE1-CG1 3.99Å
355	P	82.6	Confident	89.1	Confident	73 Å²	73	57.5 Å²	57.5	47%	0.474	30%	0.303	S	S	.	.			trans	-71.8	150.9	-177	29.7	-36	0	0	0	112.5	F181 E353	F181-P355 HydrophobicContact CE2-CG 3.76Å; F181-P355 HydrophobicContact CZ-CG 3.56Å; E353-P355 VanDerWaalsContact O-CD 3.23Å; E353-P355 WeakPolarHBondContact O-CD 3.3Å
356	G	68.8	Low	89.2	Confident	36 Å²	36	56.3 Å²	56.3	37%	0.371	30%	0.299	S	S	.	.			trans	80.2	171	164.8	0	0	0	0	0	116.4
357	R	68.8	Low	89.2	Confident	63 Å²	63	56.2 Å²	56.2	24%	0.238	30%	0.298	C	S	.	.			trans	-112	163.3	171.6	-62.6	-175.6	-174.5	-150	-15.6	109.6	E200 F359	E200-R357 HydrophobicContact CB-CG 4.23Å; E200-R357 WeakPolarHBondContact OE2-CG 3.32Å; E200-R357 IonicContact OE2-CZ 2.67Å; E200-R357 IonicContact OE2-NE 3.53Å; E200-R357 PolarHBondContact OE2-NE 2.6Å; E200-R357 IonicContact OE2-NH2 2.83Å; E200-R357 PolarHBondContact OE2-NH2 3.07Å; R357-F359 VanDerWaalsContact C-N 3.25Å; R357-F359 WeakPolarHBondContact CB-O 3.16Å; R357-F359 PolarHBondContact O-N 3.08Å
358	T	65.7	Low	89.3	Confident	42 Å²	42	52.1 Å²	52.1	26%	0.258	28%	0.277	S	S	.	.	S	Bend	trans	-58.8	-39.7	169.1	-37.1	0	0	0	0	111.2
359	F	82.5	Confident	89.4	Confident	71 Å²	71	46.3 Å²	46.3	31%	0.311	25%	0.245	S	C	.	.	S	Bend	trans	-145	151.9	174.6	-59.4	-88.5	0	0	0	112.3	R357 G583 V585 Q586 P587	R357-F359 VanDerWaalsContact C-N 3.25Å; R357-F359 WeakPolarHBondContact CB-O 3.16Å; R357-F359 PolarHBondContact O-N 3.08Å; F359-G583 WeakPolarHBondContact CB-O 3.21Å; F359-G583 PolarHBondContact N-O 3.19Å; F359-G583 VanDerWaalsContact N-O 3.07Å; F359-V585 WeakPolarHBondContact CE2-O 3.1Å; F359-V585 WeakPolarHBondContact CZ-O 3.19Å; F359-Q586 VanDerWaalsContact CB-C 3.42Å; F359-Q586 WeakPolarHBondContact CB-O 3.4Å; F359-Q586 VanDerWaalsContact CD2-N 3.33Å; F359-P587 HydrophobicContact CD1-CG 4.38Å
360	P	88.8	Confident	89.4	Confident	91 Å²	91	45.8 Å²	45.8	59%	0.591	24%	0.242	S	C	*	.			trans	-69.8	152.3	-179.1	28.6	-35.6	0	0	0	112.8	P587 G588	P360-P587 HydrophobicContact CG-CB 4.3Å; P360-P587 HydrophobicContact CG-CG 4.41Å; P360-P587 WeakPolarHBondContact O-CA 3.25Å; P360-G588 PolarHBondContact O-N 3.27Å
361	V	91.1	Very high	89.3	Confident	26 Å²	26	47.4 Å²	47.4	16%	0.158	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	119	172.9	-179.4	0	0	0	0	109.4	A582 G588 C590	V361-A582 HydrophobicContact CG1-CB 4.4Å; V361-A582 HydrophobicContact CG2-CB 4.22Å; V361-A582 WeakPolarHBondContact CG2-O 3.33Å; V361-G588 CarbonylContact C-O 3.53Å; V361-G588 VanDerWaalsContact CA-O 3.3Å; V361-G588 WeakPolarHBondContact CA-O 3.43Å; V361-C590 HydrophobicContact CG1-CB 3.99Å
362	K	95.7	Very high	89.3	Confident	120 Å²	120	47.2 Å²	47.2	52%	0.522	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	130.4	174.2	-172.3	179.7	-176.9	-173.4	0	109.7	Y364 G588 I589 C590	K362-Y364 HydrophobicContact CD-CE2 3.83Å; K362-Y364 VanDerWaalsContact CE-CZ 3.49Å; K362-Y364 WeakPolarHBondContact CE-OH 3.13Å; K362-Y364 HydrophobicContact CG-CE2 4.2Å; K362-Y364 PolarHBondContact NZ-OH 3.22Å; K362-G588 PolarHBondContact N-O 3.13Å; K362-I589 HydrophobicContact CB-CG1 4.46Å; K362-I589 CarbonylContact O-C 3.57Å; K362-I589 VanDerWaalsContact O-CA 3.31Å; K362-I589 WeakPolarHBondContact O-CA 3.3Å; K362-C590 PolarHBondContact O-N 3.09Å
363	T	96	Very high	89.2	Confident	56 Å²	56	47.1 Å²	47.1	34%	0.344	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	133.6	-179.2	-58.1	0	0	0	0	111.1	Y365 C590 H592	T363-Y365 HydrophobicContact CG2-CE2 4.09Å; T363-C590 CarbonylContact C-O 3.44Å; T363-C590 WeakPolarHBondContact CA-O 3.32Å; T363-H592 WeakPolarHBondContact CG2-CD2 3.21Å
364	Y	97.4	Very high	89.2	Confident	32 Å²	32	50.4 Å²	50.4	13%	0.125	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	136.1	171.5	-72.2	-75.1	0	0	0	109.6	K362 D368 E372 I589 C590 Y591 H592	K362-Y364 HydrophobicContact CD-CE2 3.83Å; K362-Y364 VanDerWaalsContact CE-CZ 3.49Å; K362-Y364 WeakPolarHBondContact CE-OH 3.13Å; K362-Y364 HydrophobicContact CG-CE2 4.2Å; K362-Y364 PolarHBondContact NZ-OH 3.22Å; Y364-D368 HydrophobicContact CD1-CB 3.58Å; Y364-D368 HydrophobicContact CE1-CB 4.43Å; Y364-D368 HydrophobicContact CG-CB 4.35Å; Y364-E372 WeakPolarHBondContact CE1-OE1 3.34Å; Y364-E372 PolarHBondContact OH-OE1 3.16Å; Y364-I589 HydrophobicContact CD2-CG2 3.56Å; Y364-I589 HydrophobicContact CE2-CG2 3.69Å; Y364-C590 PolarHBondContact N-O 2.71Å; Y364-Y591 HydrophobicContact CD2-CD1 4.13Å; Y364-Y591 AromaticContact CD2-CE1 3.76Å; Y364-Y591 HydrophobicContact CD2-CE1 3.76Å; Y364-Y591 HydrophobicContact CE2-CE1 4.28Å; Y364-Y591 HydrophobicContact CG-CD1 4.31Å; Y364-Y591 HydrophobicContact CG-CE1 4.2Å; Y364-H592 PolarHBondContact O-N 2.8Å
365	Y	96.1	Very high	89.3	Confident	45 Å²	45	50.8 Å²	50.8	18%	0.176	26%	0.259	C	S	.	.			trans	-99.6	173.3	174.2	-67.6	-81.5	0	0	0	111.1	T363 E367 D368 V369 H592 F594 Y599	T363-Y365 HydrophobicContact CG2-CE2 4.09Å; Y365-E367 VanDerWaalsContact C-N 3.26Å; Y365-E367 PolarHBondContact O-N 3.36Å; Y365-E367 VanDerWaalsContact O-N 3.17Å; Y365-D368 PolarHBondContact N-OD2 2.91Å; Y365-D368 WeakPolarHBondContact O-CA 3.43Å; Y365-D368 WeakPolarHBondContact O-CB 3.47Å; Y365-D368 PolarHBondContact O-N 3.48Å; Y365-V369 WeakPolarHBondContact O-CG2 3.46Å; Y365-V369 PolarHBondContact O-N 3.02Å; Y365-H592 CarbonylContact C-O 3.59Å; Y365-H592 HydrophobicContact CD1-CB 4.05Å; Y365-H592 HydrophobicContact CE1-CB 4.48Å; Y365-H592 AromaticContact CE1-CD2 3.91Å; Y365-F594 HydrophobicContact CD1-CD2 4.38Å; Y365-F594 HydrophobicContact CD1-CE2 4.26Å; Y365-F594 HydrophobicContact CE1-CE2 4.12Å; Y365-Y599 HydrophobicContact CE1-CD1 4.3Å; Y365-Y599 HydrophobicContact CE1-CD2 4.37Å; Y365-Y599 AromaticContact CE1-CG 3.88Å; Y365-Y599 HydrophobicContact CE1-CG 3.88Å; Y365-Y599 WeakPolarHBondContact OH-CD1 3.28Å
366	L	95.1	Very high	89.8	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-53.9	-41.3	-173.2	179.5	59.2	0	0	0	113.1	D368 V369 L370 L436 V439 L449 H592 F594 P595	L366-D368 PolarHBondContact O-N 3.48Å; L366-V369 PolarHBondContact O-N 2.95Å; L366-L370 HydrophobicContact CD1-CD1 4.21Å; L366-L370 HydrophobicContact CD1-CD2 4.34Å; L366-L370 HydrophobicContact CD1-CG 3.97Å; L366-L370 HydrophobicContact CG-CD1 4.02Å; L366-L370 HydrophobicContact CG-CG 4.24Å; L366-L370 WeakPolarHBondContact O-CB 3.29Å; L366-L370 VanDerWaalsContact O-CG 3.25Å; L366-L370 WeakPolarHBondContact O-CG 3.26Å; L366-L370 PolarHBondContact O-N 3.05Å; L366-L436 HydrophobicContact CB-CD2 4.26Å; L366-L436 HydrophobicContact CD2-CD2 3.81Å; L366-L436 HydrophobicContact CG-CD2 3.82Å; L366-V439 HydrophobicContact CD2-CB 4.38Å; L366-V439 HydrophobicContact CD2-CG1 4.32Å; L366-V439 HydrophobicContact CD2-CG2 3.9Å; L366-L449 HydrophobicContact CD1-CD2 3.48Å; L366-L449 VanDerWaalsContact CD1-CD2 3.48Å; L366-H592 PolarHBondContact N-O 2.97Å; L366-F594 VanDerWaalsContact CB-C 3.41Å; L366-F594 WeakPolarHBondContact CB-O 3.42Å; L366-F594 PolarHBondContact N-O 2.95Å; L366-P595 HydrophobicContact CD2-CG 4.17Å
367	E	95.8	Very high	90.8	Very high	7 Å²	7	53.5 Å²	53.5	3%	0.033	25%	0.249	C	C	.	.	H	α-helix	trans	-58.5	-35.8	175.4	58.5	-85.8	-156.9	0	0	112.8	Y365 R371 W421 L425 L428 L436 P595 S596	Y365-E367 VanDerWaalsContact C-N 3.26Å; Y365-E367 PolarHBondContact O-N 3.36Å; Y365-E367 VanDerWaalsContact O-N 3.17Å; E367-R371 WeakPolarHBondContact O-CB 3.48Å; E367-R371 PolarHBondContact O-N 3.45Å; E367-W421 HydrophobicContact CG-CZ2 4.43Å; E367-L425 HydrophobicContact CB-CD1 3.83Å; E367-L425 HydrophobicContact CG-CD1 4.21Å; E367-L425 HydrophobicContact CG-CD2 4.29Å; E367-L428 HydrophobicContact CB-CD1 4.41Å; E367-L428 VanDerWaalsContact O-CD2 3.3Å; E367-L428 WeakPolarHBondContact O-CD2 3.44Å; E367-L436 HydrophobicContact CB-CD1 4.12Å; E367-L436 HydrophobicContact CB-CD2 4.44Å; E367-P595 WeakPolarHBondContact OE2-CA 3.49Å; E367-S596 WeakPolarHBondContact OE1-CB 3.42Å; E367-S596 PolarHBondContact OE1-N 3.33Å; E367-S596 PolarHBondContact OE1-OG 3.13Å; E367-S596 PolarHBondContact OE2-N 2.8Å
368	D	96.6	Very high	91.9	Very high	38 Å²	38	53 Å²	53	20%	0.203	25%	0.254	C	S	.	.	H	α-helix	trans	-74.9	-42.1	176.3	-51.2	-48.7	0	0	0	111.3	Y364 Y365 L366 L370 R371 E372	Y364-D368 HydrophobicContact CD1-CB 3.58Å; Y364-D368 HydrophobicContact CE1-CB 4.43Å; Y364-D368 HydrophobicContact CG-CB 4.35Å; Y365-D368 PolarHBondContact N-OD2 2.91Å; Y365-D368 WeakPolarHBondContact O-CA 3.43Å; Y365-D368 WeakPolarHBondContact O-CB 3.47Å; Y365-D368 PolarHBondContact O-N 3.48Å; L366-D368 PolarHBondContact O-N 3.48Å; D368-L370 VanDerWaalsContact C-N 3.32Å; D368-L370 PolarHBondContact O-N 3.31Å; D368-R371 WeakPolarHBondContact O-CB 3.43Å; D368-R371 PolarHBondContact O-N 2.92Å; D368-R371 VanDerWaalsContact O-N 3.12Å; D368-R371 IonicContact OD1-CZ 3.81Å; D368-R371 IonicContact OD1-NH1 2.76Å; D368-R371 PolarHBondContact OD1-NH1 3.42Å; D368-R371 IonicContact OD1-NH2 3.98Å; D368-E372 PolarHBondContact O-N 3.35Å
369	V	95.2	Very high	93.1	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.006	27%	0.272	C	S	.	.	H	α-helix	trans	-58	-46.8	175.8	-175.4	0	0	0	0	110.4	Y365 L366 R371 E372 T373 L449 Y591 L593	Y365-V369 WeakPolarHBondContact O-CG2 3.46Å; Y365-V369 PolarHBondContact O-N 3.02Å; L366-V369 PolarHBondContact O-N 2.95Å; V369-R371 VanDerWaalsContact C-N 3.29Å; V369-R371 PolarHBondContact O-N 3.24Å; V369-E372 PolarHBondContact O-N 2.74Å; V369-T373 HydrophobicContact CG1-CG2 3.9Å; V369-T373 VanDerWaalsContact O-CB 3.28Å; V369-T373 WeakPolarHBondContact O-CB 3.33Å; V369-T373 VanDerWaalsContact O-CG2 3.26Å; V369-T373 WeakPolarHBondContact O-CG2 3.4Å; V369-T373 PolarHBondContact O-N 3.05Å; V369-T373 PolarHBondContact O-OG1 2.98Å; V369-L449 HydrophobicContact CG1-CD1 4.32Å; V369-Y591 HydrophobicContact CG2-CD1 3.94Å; V369-L593 HydrophobicContact CG1-CD2 4.04Å; V369-L593 HydrophobicContact CG2-CD2 4.16Å
370	L	95.5	Very high	93.5	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.016	29%	0.286	C	S	.	.	H	α-helix	trans	-64.1	-34.8	178.5	-67.5	175	0	0	0	112.2	L366 D368 K374 F375 A432 I435 L436 L449	L366-L370 HydrophobicContact CD1-CD1 4.21Å; L366-L370 HydrophobicContact CD1-CD2 4.34Å; L366-L370 HydrophobicContact CD1-CG 3.97Å; L366-L370 HydrophobicContact CG-CD1 4.02Å; L366-L370 HydrophobicContact CG-CG 4.24Å; L366-L370 WeakPolarHBondContact O-CB 3.29Å; L366-L370 VanDerWaalsContact O-CG 3.25Å; L366-L370 WeakPolarHBondContact O-CG 3.26Å; L366-L370 PolarHBondContact O-N 3.05Å; D368-L370 VanDerWaalsContact C-N 3.32Å; D368-L370 PolarHBondContact O-N 3.31Å; L370-K374 WeakPolarHBondContact O-CA 3.45Å; L370-K374 PolarHBondContact O-N 3.08Å; L370-K374 VanDerWaalsContact O-N 3.14Å; L370-F375 HydrophobicContact CD2-CB 4.03Å; L370-F375 HydrophobicContact CD2-CD1 3.93Å; L370-F375 HydrophobicContact CD2-CG 4.45Å; L370-A432 HydrophobicContact CB-CB 3.96Å; L370-A432 HydrophobicContact CD1-CB 4.13Å; L370-I435 HydrophobicContact CD1-CB 4.2Å; L370-I435 HydrophobicContact CD1-CG2 4Å; L370-I435 HydrophobicContact CD2-CD1 4.17Å; L370-I435 HydrophobicContact CD2-CG2 4.25Å; L370-L436 HydrophobicContact CD1-CD2 3.97Å; L370-L436 HydrophobicContact CD1-CG 3.82Å; L370-L449 HydrophobicContact CD2-CD1 4.31Å
371	R	95.1	Very high	93.5	Very high	80 Å²	80	54.6 Å²	54.6	30%	0.302	27%	0.271	S	S	.	.	H	α-helix	trans	-68.5	-47.5	176.5	-167.3	-177.1	-56.7	101.7	1.3	112.1	E367 D368 V369 T426 L428	E367-R371 WeakPolarHBondContact O-CB 3.48Å; E367-R371 PolarHBondContact O-N 3.45Å; D368-R371 WeakPolarHBondContact O-CB 3.43Å; D368-R371 PolarHBondContact O-N 2.92Å; D368-R371 VanDerWaalsContact O-N 3.12Å; D368-R371 IonicContact OD1-CZ 3.81Å; D368-R371 IonicContact OD1-NH1 2.76Å; D368-R371 PolarHBondContact OD1-NH1 3.42Å; D368-R371 IonicContact OD1-NH2 3.98Å; V369-R371 VanDerWaalsContact C-N 3.29Å; V369-R371 PolarHBondContact O-N 3.24Å; R371-T426 PolarHBondContact NE-O 2.68Å; R371-T426 VanDerWaalsContact NE-O 3.13Å; R371-T426 PolarHBondContact NH2-O 3.19Å; R371-L428 HydrophobicContact CB-CD2 4.11Å
372	E	93	Very high	93.3	Very high	70 Å²	70	53.9 Å²	53.9	33%	0.327	27%	0.265	S	S	.	.	H	α-helix	trans	-74.6	-43	-176.2	-69.5	-172.7	168.3	0	0	112.4	Y364 D368 V369	Y364-E372 WeakPolarHBondContact CE1-OE1 3.34Å; Y364-E372 PolarHBondContact OH-OE1 3.16Å; D368-E372 PolarHBondContact O-N 3.35Å; V369-E372 PolarHBondContact O-N 2.74Å
373	T	92.2	Very high	93	Very high	30 Å²	30	51.1 Å²	51.1	18%	0.184	26%	0.259	C	S	.	.	H	α-helix	trans	-79.7	-19.3	-178.4	62.7	0	0	0	0	113.1	V369 F375 H456	V369-T373 HydrophobicContact CG1-CG2 3.9Å; V369-T373 VanDerWaalsContact O-CB 3.28Å; V369-T373 WeakPolarHBondContact O-CB 3.33Å; V369-T373 VanDerWaalsContact O-CG2 3.26Å; V369-T373 WeakPolarHBondContact O-CG2 3.4Å; V369-T373 PolarHBondContact O-N 3.05Å; V369-T373 PolarHBondContact O-OG1 2.98Å; T373-F375 PolarHBondContact O-N 3.02Å; T373-F375 VanDerWaalsContact O-N 3.16Å; T373-F375 VanDerWaalsContact OG1-CB 3.32Å; T373-F375 WeakPolarHBondContact OG1-CB 3.45Å; T373-F375 PolarHBondContact OG1-N 3.12Å; T373-H456 HydrophobicContact CG2-CB 3.89Å
374	K	91.9	Very high	92.5	Very high	174 Å²	174	50.7 Å²	50.7	76%	0.757	26%	0.261	S	S	*	.			trans	51.2	30.3	-167.6	-55.9	-179.2	-178.9	177.8	0	112.5	L370 W376	L370-K374 WeakPolarHBondContact O-CA 3.45Å; L370-K374 PolarHBondContact O-N 3.08Å; L370-K374 VanDerWaalsContact O-N 3.14Å; K374-W376 PolarHBondContact O-N 2.79Å
375	F	92.4	Very high	91.8	Very high	8 Å²	8	50.1 Å²	50.1	4%	0.035	26%	0.26	C	S	.	.			trans	-55.6	135.6	-178.6	-179.3	-102	0	0	0	110.8	L370 T373 L377 I435 P445 D448 L449 H452	L370-F375 HydrophobicContact CD2-CB 4.03Å; L370-F375 HydrophobicContact CD2-CD1 3.93Å; L370-F375 HydrophobicContact CD2-CG 4.45Å; T373-F375 PolarHBondContact O-N 3.02Å; T373-F375 VanDerWaalsContact O-N 3.16Å; T373-F375 VanDerWaalsContact OG1-CB 3.32Å; T373-F375 WeakPolarHBondContact OG1-CB 3.45Å; T373-F375 PolarHBondContact OG1-N 3.12Å; F375-L377 HydrophobicContact CD1-CG 4.46Å; F375-L377 HydrophobicContact CE1-CD1 4.03Å; F375-L377 HydrophobicContact CE1-CD2 3.75Å; F375-L377 HydrophobicContact CE1-CG 3.59Å; F375-L377 HydrophobicContact CZ-CD2 3.63Å; F375-L377 HydrophobicContact CZ-CG 4.03Å; F375-I435 HydrophobicContact CD1-CD1 3.96Å; F375-I435 HydrophobicContact CE1-CD1 4.29Å; F375-P445 HydrophobicContact CE1-CB 4.42Å; F375-P445 HydrophobicContact CE1-CG 4.45Å; F375-D448 HydrophobicContact CE2-CB 4.07Å; F375-D448 HydrophobicContact CZ-CB 3.85Å; F375-L449 HydrophobicContact CB-CD1 4.09Å; F375-L449 HydrophobicContact CD1-CD1 3.7Å; F375-L449 HydrophobicContact CD2-CD1 4.18Å; F375-L449 HydrophobicContact CE1-CB 4.07Å; F375-L449 HydrophobicContact CE1-CD1 4.12Å; F375-L449 HydrophobicContact CE2-CB 4.45Å; F375-L449 HydrophobicContact CG-CD1 3.72Å; F375-L449 HydrophobicContact CZ-CB 4.03Å; F375-H452 HydrophobicContact CD2-CB 3.76Å; F375-H452 AromaticContact CD2-CG 3.68Å; F375-H452 HydrophobicContact CE2-CB 4.08Å; F375-H452 AromaticContact CE2-CE1 4Å; F375-H452 AromaticContact CE2-CG 3.71Å; F375-H452 AromaticContact CE2-ND1 3.59Å
376	W	92.1	Very high	91.1	Very high	157 Å²	157	50.2 Å²	50.2	60%	0.595	27%	0.267	S	S	*	.			trans	-132.7	137.3	-172.3	-175.1	96.1	0	0	0	110.8	K374 P378 N431	K374-W376 PolarHBondContact O-N 2.79Å; W376-P378 HydrophobicContact CH2-CB 3.8Å; W376-P378 HydrophobicContact CZ3-CB 3.78Å; W376-P378 HydrophobicContact CZ3-CG 4.27Å; W376-N431 VanDerWaalsContact CA-OD1 3.32Å; W376-N431 WeakPolarHBondContact CA-OD1 3.44Å; W376-N431 PolarHBondContact NE1-ND2 2.96Å
377	L	90.7	Very high	90.6	Very high	10 Å²	10	58.7 Å²	58.7	5%	0.052	30%	0.299	C	S	.	.			trans	-119.8	141.4	173.1	-71.4	179.7	0	0	0	111.7	F375 A381 I382 L385 N431 I435 P445	F375-L377 HydrophobicContact CD1-CG 4.46Å; F375-L377 HydrophobicContact CE1-CD1 4.03Å; F375-L377 HydrophobicContact CE1-CD2 3.75Å; F375-L377 HydrophobicContact CE1-CG 3.59Å; F375-L377 HydrophobicContact CZ-CD2 3.63Å; F375-L377 HydrophobicContact CZ-CG 4.03Å; L377-A381 HydrophobicContact CB-CB 4.38Å; L377-A381 HydrophobicContact CD2-CB 4.46Å; L377-I382 HydrophobicContact CB-CD1 4.32Å; L377-I382 HydrophobicContact CB-CG1 3.87Å; L377-L385 HydrophobicContact CD1-CD1 3.82Å; L377-N431 PolarHBondContact N-OD1 2.89Å; L377-N431 PolarHBondContact O-ND2 3.4Å; L377-I435 HydrophobicContact CB-CD1 4.21Å; L377-I435 HydrophobicContact CB-CG1 4.42Å; L377-I435 HydrophobicContact CD1-CD1 4.14Å; L377-I435 HydrophobicContact CD1-CG1 4.1Å; L377-I435 HydrophobicContact CG-CD1 4.01Å; L377-I435 HydrophobicContact CG-CG1 4.41Å; L377-P445 HydrophobicContact CD1-CB 3.84Å; L377-P445 HydrophobicContact CD1-CG 4.39Å
378	P	91.9	Very high	89.8	Confident	52 Å²	52	61.6 Å²	61.6	34%	0.338	31%	0.314	S	S	.	.			trans	-64.5	148.5	170.7	27.3	-32.5	0	0	0	110.7	W376 S380 A381 I382	W376-P378 HydrophobicContact CH2-CB 3.8Å; W376-P378 HydrophobicContact CZ3-CB 3.78Å; W376-P378 HydrophobicContact CZ3-CG 4.27Å; P378-S380 PolarHBondContact O-N 2.85Å; P378-A381 HydrophobicContact CG-CB 3.86Å; P378-A381 WeakPolarHBondContact O-CA 3.25Å; P378-A381 WeakPolarHBondContact O-CB 3.29Å; P378-A381 PolarHBondContact O-N 3.15Å; P378-I382 PolarHBondContact O-N 2.91Å; P378-I382 VanDerWaalsContact O-N 3.1Å
379	N	90.1	Very high	88.8	Confident	118 Å²	118	60.9 Å²	60.9	63%	0.631	31%	0.31	S	S	*	.	H	α-helix	trans	-55.6	-29.2	-179.7	-71.1	-16.1	0	0	0	112.9	T383	N379-T383 VanDerWaalsContact O-CB 3.3Å; N379-T383 WeakPolarHBondContact O-CB 3.41Å; N379-T383 PolarHBondContact O-N 2.85Å; N379-T383 PolarHBondContact O-OG1 2.96Å
380	S	91	Very high	87.8	Confident	89 Å²	89	64.5 Å²	64.5	62%	0.622	34%	0.335	S	S	*	.	H	α-helix	trans	-63.1	-42.2	173.3	53.4	0	0	0	0	112.4	P378 T383 A384	P378-S380 PolarHBondContact O-N 2.85Å; S380-T383 PolarHBondContact O-N 2.98Å; S380-A384 PolarHBondContact O-N 2.81Å
381	A	87.8	Confident	86.9	Confident	31 Å²	31	69.8 Å²	69.8	26%	0.256	36%	0.355	S	S	.	.	H	α-helix	trans	-69.6	-42.7	176.5	0	0	0	0	0	111.6	L377 P378 T383 A384 L385	L377-A381 HydrophobicContact CB-CB 4.38Å; L377-A381 HydrophobicContact CD2-CB 4.46Å; P378-A381 HydrophobicContact CG-CB 3.86Å; P378-A381 WeakPolarHBondContact O-CA 3.25Å; P378-A381 WeakPolarHBondContact O-CB 3.29Å; P378-A381 PolarHBondContact O-N 3.15Å; A381-T383 VanDerWaalsContact C-N 3.29Å; A381-T383 PolarHBondContact O-N 3.42Å; A381-A384 WeakPolarHBondContact O-CB 3.11Å; A381-A384 PolarHBondContact O-N 2.91Å; A381-A384 VanDerWaalsContact O-N 3.11Å; A381-L385 WeakPolarHBondContact O-CG 3.42Å; A381-L385 PolarHBondContact O-N 2.9Å
382	I	87.9	Confident	85.7	Confident	10 Å²	10	67.2 Å²	67.2	5%	0.051	35%	0.348	C	S	.	.	H	α-helix	trans	-59.3	-43.5	173.6	-62.5	175.3	0	0	0	110.4	L377 P378 A384 L385 C386 E434 I435	L377-I382 HydrophobicContact CB-CD1 4.32Å; L377-I382 HydrophobicContact CB-CG1 3.87Å; P378-I382 PolarHBondContact O-N 2.91Å; P378-I382 VanDerWaalsContact O-N 3.1Å; I382-A384 VanDerWaalsContact C-N 3.31Å; I382-A384 PolarHBondContact O-N 2.96Å; I382-L385 WeakPolarHBondContact O-CB 3.19Å; I382-L385 PolarHBondContact O-N 2.68Å; I382-C386 PolarHBondContact O-N 3.25Å; I382-C386 PolarHBondContact O-SG 2.72Å; I382-E434 HydrophobicContact CD1-CB 3.99Å; I382-E434 HydrophobicContact CG2-CB 4.31Å; I382-I435 HydrophobicContact CD1-CG1 4.3Å; I382-I435 HydrophobicContact CG1-CG1 4.44Å
383	T	88.7	Confident	84.5	Confident	63 Å²	63	65.8 Å²	65.8	39%	0.387	34%	0.343	S	S	.	.	H	α-helix	trans	-62.6	-38.4	175.9	-59.2	0	0	0	0	111.8	N379 S380 A381 C386 R387	N379-T383 VanDerWaalsContact O-CB 3.3Å; N379-T383 WeakPolarHBondContact O-CB 3.41Å; N379-T383 PolarHBondContact O-N 2.85Å; N379-T383 PolarHBondContact O-OG1 2.96Å; S380-T383 PolarHBondContact O-N 2.98Å; A381-T383 VanDerWaalsContact C-N 3.29Å; A381-T383 PolarHBondContact O-N 3.42Å; T383-C386 PolarHBondContact O-N 3.13Å; T383-R387 VanDerWaalsContact O-CG 3.31Å; T383-R387 WeakPolarHBondContact O-CG 3.32Å; T383-R387 PolarHBondContact O-N 3.17Å
384	A	85.4	Confident	83.3	Confident	46 Å²	46	70.8 Å²	70.8	38%	0.38	36%	0.362	S	S	.	.	H	α-helix	trans	-64.2	-43.6	175.5	0	0	0	0	0	111.8	S380 A381 I382 C386 R387 D388	S380-A384 PolarHBondContact O-N 2.81Å; A381-A384 WeakPolarHBondContact O-CB 3.11Å; A381-A384 PolarHBondContact O-N 2.91Å; A381-A384 VanDerWaalsContact O-N 3.11Å; I382-A384 VanDerWaalsContact C-N 3.31Å; I382-A384 PolarHBondContact O-N 2.96Å; A384-C386 PolarHBondContact O-N 3.12Å; A384-R387 WeakPolarHBondContact O-CB 3.41Å; A384-R387 PolarHBondContact O-N 2.87Å; A384-R387 VanDerWaalsContact O-N 3.17Å; A384-D388 PolarHBondContact O-N 3.28Å
385	L	82.5	Confident	82	Confident	20 Å²	20	65.8 Å²	65.8	11%	0.105	34%	0.341	C	S	.	.	H	α-helix	trans	-57.8	-48.7	174.1	-67.8	170.7	0	0	0	111.4	L377 A381 I382 R387 D388 Q389 T443 P445	L377-L385 HydrophobicContact CD1-CD1 3.82Å; A381-L385 WeakPolarHBondContact O-CG 3.42Å; A381-L385 PolarHBondContact O-N 2.9Å; I382-L385 WeakPolarHBondContact O-CB 3.19Å; I382-L385 PolarHBondContact O-N 2.68Å; L385-R387 VanDerWaalsContact C-N 3.27Å; L385-R387 PolarHBondContact O-N 3.48Å; L385-D388 PolarHBondContact O-N 2.88Å; L385-Q389 WeakPolarHBondContact O-CB 3.29Å; L385-Q389 PolarHBondContact O-N 2.84Å; L385-T443 HydrophobicContact CB-CG2 4.2Å; L385-T443 HydrophobicContact CD2-CG2 3.72Å; L385-P445 HydrophobicContact CD1-CB 4.24Å
386	C	83.3	Confident	80.4	Confident	47 Å²	47	69.4 Å²	69.4	32%	0.318	35%	0.354	S	S	.	.	H	α-helix	trans	-59.6	-35.9	177	-71.8	0	0	0	0	113.1	I382 T383 A384 S390 S438	I382-C386 PolarHBondContact O-N 3.25Å; I382-C386 PolarHBondContact O-SG 2.72Å; T383-C386 PolarHBondContact O-N 3.13Å; A384-C386 PolarHBondContact O-N 3.12Å; C386-S390 WeakPolarHBondContact O-CB 3.49Å; C386-S390 PolarHBondContact O-N 2.67Å; C386-S390 VanDerWaalsContact O-N 3.08Å; C386-S390 PolarHBondContact O-OG 3Å; C386-S438 VanDerWaalsContact SG-CB 3.57Å
387	R	82.9	Confident	79	Confident	179 Å²	179	63.4 Å²	63.4	68%	0.675	33%	0.334	S	S	*	.	H	α-helix	trans	-69	-44.5	175.7	-74.2	173.8	-173.5	173	4.1	111.5	T383 A384 L385 S390 R391	T383-R387 VanDerWaalsContact O-CG 3.31Å; T383-R387 WeakPolarHBondContact O-CG 3.32Å; T383-R387 PolarHBondContact O-N 3.17Å; A384-R387 WeakPolarHBondContact O-CB 3.41Å; A384-R387 PolarHBondContact O-N 2.87Å; A384-R387 VanDerWaalsContact O-N 3.17Å; L385-R387 VanDerWaalsContact C-N 3.27Å; L385-R387 PolarHBondContact O-N 3.48Å; R387-S390 PolarHBondContact O-N 3.06Å; R387-R391 WeakPolarHBondContact O-CB 3.38Å; R387-R391 PolarHBondContact O-N 3.41Å
388	D	79.1	Confident	77.4	Confident	67 Å²	67	69.4 Å²	69.4	36%	0.358	37%	0.365	S	S	.	.	H	α-helix	trans	-63	-44.5	177.1	-90.2	-27.9	0	0	0	111.7	A384 L385 S390 R391 T392 T443	A384-D388 PolarHBondContact O-N 3.28Å; L385-D388 PolarHBondContact O-N 2.88Å; D388-S390 VanDerWaalsContact C-N 3.33Å; D388-S390 PolarHBondContact O-N 3Å; D388-R391 WeakPolarHBondContact O-CB 3.49Å; D388-R391 PolarHBondContact O-N 3.36Å; D388-R391 VanDerWaalsContact O-N 3.1Å; D388-R391 IonicContact OD1-CZ 2.71Å; D388-R391 IonicContact OD1-NE 3.09Å; D388-R391 PolarHBondContact OD1-NE 3.05Å; D388-R391 IonicContact OD1-NH2 3.22Å; D388-R391 PolarHBondContact OD1-NH2 3.03Å; D388-T392 PolarHBondContact O-N 2.83Å; D388-T392 PolarHBondContact O-OG1 3.43Å; D388-T443 HydrophobicContact CB-CG2 3.97Å
389	Q	75.7	Confident	75.8	Confident	24 Å²	24	72.8 Å²	72.8	11%	0.112	37%	0.374	C	S	.	.	H	α-helix	trans	-57	-47.2	174	-172.4	-173.2	23.4	0	0	111.3	L385 R391 T392 L393 T443	L385-Q389 WeakPolarHBondContact O-CB 3.29Å; L385-Q389 PolarHBondContact O-N 2.84Å; Q389-R391 VanDerWaalsContact C-N 3.28Å; Q389-R391 PolarHBondContact O-N 2.86Å; Q389-T392 PolarHBondContact O-N 3.36Å; Q389-L393 HydrophobicContact CG-CD1 4.11Å; Q389-L393 WeakPolarHBondContact O-CB 3.23Å; Q389-L393 VanDerWaalsContact O-CG 3.3Å; Q389-L393 WeakPolarHBondContact O-CG 2.96Å; Q389-L393 PolarHBondContact O-N 3.01Å; Q389-T443 WeakPolarHBondContact CA-OG1 3.43Å; Q389-T443 PolarHBondContact N-OG1 2.78Å
390	S	75.6	Confident	74.2	Confident	76 Å²	76	70 Å²	70	53%	0.531	36%	0.364	S	S	.	.	H	α-helix	trans	-62	-35.2	177.5	-65.2	0	0	0	0	112.7	C386 R387 D388 K394	C386-S390 WeakPolarHBondContact O-CB 3.49Å; C386-S390 PolarHBondContact O-N 2.67Å; C386-S390 VanDerWaalsContact O-N 3.08Å; C386-S390 PolarHBondContact O-OG 3Å; R387-S390 PolarHBondContact O-N 3.06Å; D388-S390 VanDerWaalsContact C-N 3.33Å; D388-S390 PolarHBondContact O-N 3Å; S390-K394 VanDerWaalsContact O-CB 3.31Å; S390-K394 WeakPolarHBondContact O-CB 3.47Å; S390-K394 PolarHBondContact O-N 3.33Å; S390-K394 VanDerWaalsContact O-N 3.16Å
391	R	74.8	Confident	72.5	Confident	114 Å²	114	73.4 Å²	73.4	43%	0.43	38%	0.376	S	S	.	.	H	α-helix	trans	-69.8	-48.6	177.2	-178.8	177.4	61.7	82.9	-2.7	111.2	R387 D388 Q389 K394 Q395	R387-R391 WeakPolarHBondContact O-CB 3.38Å; R387-R391 PolarHBondContact O-N 3.41Å; D388-R391 WeakPolarHBondContact O-CB 3.49Å; D388-R391 PolarHBondContact O-N 3.36Å; D388-R391 VanDerWaalsContact O-N 3.1Å; D388-R391 IonicContact OD1-CZ 2.71Å; D388-R391 IonicContact OD1-NE 3.09Å; D388-R391 PolarHBondContact OD1-NE 3.05Å; D388-R391 IonicContact OD1-NH2 3.22Å; D388-R391 PolarHBondContact OD1-NH2 3.03Å; Q389-R391 VanDerWaalsContact C-N 3.28Å; Q389-R391 PolarHBondContact O-N 2.86Å; R391-K394 PolarHBondContact O-N 3.22Å; R391-Q395 WeakPolarHBondContact O-CG 3.49Å; R391-Q395 PolarHBondContact O-N 3.4Å
392	T	70.8	Confident	71.2	Confident	27 Å²	27	75.3 Å²	75.3	17%	0.166	38%	0.381	C	S	.	.	H	α-helix	trans	-66.1	-42.4	-178.6	-46.3	0	0	0	0	111.7	D388 Q389 K394 Q395 R396 D442	D388-T392 PolarHBondContact O-N 2.83Å; D388-T392 PolarHBondContact O-OG1 3.43Å; Q389-T392 PolarHBondContact O-N 3.36Å; T392-K394 PolarHBondContact O-N 3.03Å; T392-Q395 WeakPolarHBondContact O-CB 3.45Å; T392-Q395 PolarHBondContact O-N 3.36Å; T392-R396 PolarHBondContact O-N 3.01Å; T392-D442 HydrophobicContact CG2-CB 3.58Å; T392-D442 WeakPolarHBondContact CG2-OD2 3.4Å
393	L	68.2	Low	70	Confident	40 Å²	40	77.3 Å²	77.3	21%	0.209	40%	0.396	C	S	.	.	H	α-helix	trans	-55.6	-52.5	171.7	-75.2	169.7	0	0	0	110.6	Q389 Q395 R396 L397	Q389-L393 HydrophobicContact CG-CD1 4.11Å; Q389-L393 WeakPolarHBondContact O-CB 3.23Å; Q389-L393 VanDerWaalsContact O-CG 3.3Å; Q389-L393 WeakPolarHBondContact O-CG 2.96Å; Q389-L393 PolarHBondContact O-N 3.01Å; L393-Q395 PolarHBondContact O-N 3.04Å; L393-R396 PolarHBondContact O-N 2.88Å; L393-R396 VanDerWaalsContact O-N 3.14Å; L393-L397 HydrophobicContact CB-CD1 4.32Å; L393-L397 WeakPolarHBondContact O-CB 3.45Å; L393-L397 WeakPolarHBondContact O-CD1 3.37Å; L393-L397 WeakPolarHBondContact O-CG 3.47Å; L393-L397 PolarHBondContact O-N 3.32Å
394	K	65.8	Low	68.7	Low	135 Å²	135	82.7 Å²	82.7	59%	0.587	41%	0.414	S	S	*	.	H	α-helix	trans	-55.8	-38.3	179.2	-172.9	-177.5	176.8	-171	0	112.4	S390 R391 T392 L398	S390-K394 VanDerWaalsContact O-CB 3.31Å; S390-K394 WeakPolarHBondContact O-CB 3.47Å; S390-K394 PolarHBondContact O-N 3.33Å; S390-K394 VanDerWaalsContact O-N 3.16Å; R391-K394 PolarHBondContact O-N 3.22Å; T392-K394 PolarHBondContact O-N 3.03Å; K394-L398 HydrophobicContact CG-CD1 4.5Å; K394-L398 WeakPolarHBondContact O-CD1 3.22Å; K394-L398 WeakPolarHBondContact O-CG 3.41Å; K394-L398 PolarHBondContact O-N 3.37Å
395	Q	64.9	Low	67.3	Low	69 Å²	69	88.2 Å²	88.2	32%	0.322	43%	0.429	S	S	.	.	H	α-helix	trans	-68	-44.3	176.6	-73.7	177.4	-13.4	0	0	112.9	R391 T392 L393 L397 E936	R391-Q395 WeakPolarHBondContact O-CG 3.49Å; R391-Q395 PolarHBondContact O-N 3.4Å; T392-Q395 WeakPolarHBondContact O-CB 3.45Å; T392-Q395 PolarHBondContact O-N 3.36Å; L393-Q395 PolarHBondContact O-N 3.04Å; Q395-L397 VanDerWaalsContact C-N 3.34Å; Q395-L397 PolarHBondContact O-N 2.89Å; Q395-E936 PolarHBondContact NE2-O 3.17Å; Q395-E936 PolarHBondContact OE1-O 2.97Å
396	R	60.2	Low	66.3	Low	84 Å²	84	92 Å²	92	32%	0.317	45%	0.447	S	S	.	.	H	α-helix	trans	-63.1	-39.9	175.5	-82.3	-172.4	172.7	152.4	-3.6	112.3	T392 L393 L398 K399 S400 E441 D442	T392-R396 PolarHBondContact O-N 3.01Å; L393-R396 PolarHBondContact O-N 2.88Å; L393-R396 VanDerWaalsContact O-N 3.14Å; R396-L398 VanDerWaalsContact C-N 3.34Å; R396-L398 PolarHBondContact O-N 2.89Å; R396-K399 WeakPolarHBondContact O-CA 3.44Å; R396-K399 WeakPolarHBondContact O-CB 3.43Å; R396-K399 PolarHBondContact O-N 3.25Å; R396-S400 PolarHBondContact O-N 3.2Å; R396-E441 IonicContact CZ-OE2 3.91Å; R396-E441 IonicContact NH1-OE2 3.91Å; R396-E441 PolarHBondContact NH1-OE2 2.84Å; R396-D442 IonicContact CZ-OD1 3.9Å; R396-D442 IonicContact CZ-OD2 2.94Å; R396-D442 IonicContact NE-OD2 3.46Å; R396-D442 VanDerWaalsContact NH1-CG 3.31Å; R396-D442 IonicContact NH1-OD1 3.8Å; R396-D442 PolarHBondContact NH1-OD1 3.01Å; R396-D442 IonicContact NH1-OD2 3.96Å; R396-D442 PolarHBondContact NH1-OD2 3.47Å; R396-D442 IonicContact NH2-OD1 2.79Å; R396-D442 PolarHBondContact NH2-OD1 2.95Å; R396-D442 IonicContact NH2-OD2 2.75Å; R396-D442 PolarHBondContact NH2-OD2 3.4Å
397	L	62	Low	65.2	Low	31 Å²	31	90 Å²	90	16%	0.162	43%	0.434	C	S	.	.	H	α-helix	trans	-71.3	-30.6	-176.6	-64	157.7	0	0	0	113.1	L393 Q395 K399 S400 N401 L402 A407	L393-L397 HydrophobicContact CB-CD1 4.32Å; L393-L397 WeakPolarHBondContact O-CB 3.45Å; L393-L397 WeakPolarHBondContact O-CD1 3.37Å; L393-L397 WeakPolarHBondContact O-CG 3.47Å; L393-L397 PolarHBondContact O-N 3.32Å; Q395-L397 VanDerWaalsContact C-N 3.34Å; Q395-L397 PolarHBondContact O-N 2.89Å; L397-K399 PolarHBondContact O-N 3.12Å; L397-S400 PolarHBondContact O-N 3.13Å; L397-N401 PolarHBondContact O-N 3.39Å; L397-L402 HydrophobicContact CD2-CB 3.91Å; L397-L402 HydrophobicContact CD2-CD1 3.81Å; L397-L402 HydrophobicContact CD2-CG 4.48Å; L397-A407 HydrophobicContact CD1-CB 3.06Å; L397-A407 HydrophobicContact CD2-CB 3.56Å; L397-A407 HydrophobicContact CG-CB 3.86Å
398	L	57.8	Low	64	Low	135 Å²	135	90 Å²	90	71%	0.707	43%	0.433	S	S	*	.	H	α-helix	trans	-60.6	-23.9	166.9	-80.4	157.2	0	0	0	112.1	K394 R396	K394-L398 HydrophobicContact CG-CD1 4.5Å; K394-L398 WeakPolarHBondContact O-CD1 3.22Å; K394-L398 WeakPolarHBondContact O-CG 3.41Å; K394-L398 PolarHBondContact O-N 3.37Å; R396-L398 VanDerWaalsContact C-N 3.34Å; R396-L398 PolarHBondContact O-N 2.89Å
399	K	57.4	Low	62.8	Low	123 Å²	123	92.3 Å²	92.3	54%	0.535	45%	0.445	S	S	.	.	H	α-helix	trans	-83.5	-32.9	173.1	-56.3	-178.8	176.3	-174.7	0	113.1	R396 L397	R396-K399 WeakPolarHBondContact O-CA 3.44Å; R396-K399 WeakPolarHBondContact O-CB 3.43Å; R396-K399 PolarHBondContact O-N 3.25Å; L397-K399 PolarHBondContact O-N 3.12Å
400	S	56.1	Low	61.9	Low	60 Å²	60	96.6 Å²	96.6	42%	0.42	47%	0.468	S	S	.	.	H	α-helix	trans	-96.3	6.7	-170.7	62.4	0	0	0	0	116.3	R396 L397 L402	R396-S400 PolarHBondContact O-N 3.2Å; L397-S400 PolarHBondContact O-N 3.13Å; S400-L402 PolarHBondContact O-N 2.78Å; S400-L402 VanDerWaalsContact O-N 3.09Å; S400-L402 WeakPolarHBondContact OG-CD1 3.41Å; S400-L402 WeakPolarHBondContact OG-CG 3.48Å
401	N	56.3	Low	61.6	Low	161 Å²	161	93.5 Å²	93.5	86%	0.861	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	18.5	-176.9	-73.4	-29	0	0	0	115.4	L397	L397-N401 PolarHBondContact O-N 3.39Å
402	L	59.5	Low	61.4	Low	70 Å²	70	88.7 Å²	88.7	37%	0.366	43%	0.428	S	S	.	.			trans	-81.6	151	179	-68.1	174.9	0	0	0	112.8	L397 S400 L410	L397-L402 HydrophobicContact CD2-CB 3.91Å; L397-L402 HydrophobicContact CD2-CD1 3.81Å; L397-L402 HydrophobicContact CD2-CG 4.48Å; S400-L402 PolarHBondContact O-N 2.78Å; S400-L402 VanDerWaalsContact O-N 3.09Å; S400-L402 WeakPolarHBondContact OG-CD1 3.41Å; S400-L402 WeakPolarHBondContact OG-CG 3.48Å; L402-L410 HydrophobicContact CD1-CD1 3.61Å
403	S	62.2	Low	61.4	Low	53 Å²	53	87.9 Å²	87.9	37%	0.371	43%	0.425	S	S	.	.			trans	-74.1	155.3	173	77.9	0	0	0	0	112.4	K405 E406 A407	S403-K405 PolarHBondContact O-N 3.3Å; S403-E406 WeakPolarHBondContact CA-OE2 3.44Å; S403-E406 WeakPolarHBondContact CB-OE2 3.38Å; S403-E406 PolarHBondContact N-OE2 3.05Å; S403-E406 PolarHBondContact O-N 3.29Å; S403-E406 WeakPolarHBondContact OG-CG 3.15Å; S403-E406 PolarHBondContact OG-N 2.94Å; S403-E406 PolarHBondContact OG-OE2 3.35Å; S403-A407 WeakPolarHBondContact O-CB 3.48Å; S403-A407 PolarHBondContact O-N 3.36Å
404	K	61.6	Low	61.5	Low	176 Å²	176	92.7 Å²	92.7	77%	0.765	44%	0.444	S	S	*	.	H	α-helix	trans	-56.4	-23	174.9	-74	-175.9	-177.5	174.8	0	114.3	R408	K404-R408 WeakPolarHBondContact O-CG 3.23Å; K404-R408 PolarHBondContact O-N 3.48Å
405	K	57.6	Low	62.2	Low	161 Å²	161	86.9 Å²	86.9	70%	0.7	42%	0.421	S	S	*	.	H	α-helix	trans	-82.5	-51	179.1	-170.8	-178.6	176.8	-174.5	0	110.4	S403 A407 R408 I409	S403-K405 PolarHBondContact O-N 3.3Å; K405-A407 VanDerWaalsContact C-N 3.28Å; K405-A407 PolarHBondContact O-N 3.18Å; K405-R408 PolarHBondContact O-N 3.03Å; K405-R408 VanDerWaalsContact O-N 3.09Å; K405-I409 HydrophobicContact CG-CD1 4.13Å; K405-I409 WeakPolarHBondContact O-CG1 3.48Å; K405-I409 PolarHBondContact O-N 3.47Å; K405-I409 VanDerWaalsContact O-N 3.12Å
406	E	60.5	Low	63.2	Low	100 Å²	100	88.2 Å²	88.2	47%	0.467	44%	0.435	S	S	.	.	H	α-helix	trans	-56.5	-44.9	175.4	-68.6	154.9	155.2	0	0	111	S403 R408 I409 L410	S403-E406 WeakPolarHBondContact CA-OE2 3.44Å; S403-E406 WeakPolarHBondContact CB-OE2 3.38Å; S403-E406 PolarHBondContact N-OE2 3.05Å; S403-E406 PolarHBondContact O-N 3.29Å; S403-E406 WeakPolarHBondContact OG-CG 3.15Å; S403-E406 PolarHBondContact OG-N 2.94Å; S403-E406 PolarHBondContact OG-OE2 3.35Å; E406-R408 PolarHBondContact O-N 2.91Å; E406-I409 WeakPolarHBondContact O-CB 3.05Å; E406-I409 PolarHBondContact O-N 3.48Å; E406-I409 VanDerWaalsContact O-N 3.12Å; E406-L410 WeakPolarHBondContact O-CG 3.33Å; E406-L410 PolarHBondContact O-N 2.84Å
407	A	60.7	Low	64.6	Low	5 Å²	5	89.7 Å²	89.7	4%	0.041	45%	0.446	C	S	.	.	H	α-helix	trans	-46.4	-50.4	168.9	0	0	0	0	0	116.1	L397 S403 K405 I409 L410 S411	L397-A407 HydrophobicContact CD1-CB 3.06Å; L397-A407 HydrophobicContact CD2-CB 3.56Å; L397-A407 HydrophobicContact CG-CB 3.86Å; S403-A407 WeakPolarHBondContact O-CB 3.48Å; S403-A407 PolarHBondContact O-N 3.36Å; K405-A407 VanDerWaalsContact C-N 3.28Å; K405-A407 PolarHBondContact O-N 3.18Å; A407-I409 VanDerWaalsContact C-N 3.3Å; A407-L410 PolarHBondContact O-N 2.88Å; A407-S411 PolarHBondContact O-N 2.98Å
408	R	56.7	Low	65.9	Low	178 Å²	178	88.2 Å²	88.2	67%	0.672	44%	0.438	S	S	*	.	H	α-helix	trans	-71.9	-29.5	-178.7	-83.2	179.8	175.1	174.2	-1.7	111.5	K404 K405 E406	K404-R408 WeakPolarHBondContact O-CG 3.23Å; K404-R408 PolarHBondContact O-N 3.48Å; K405-R408 PolarHBondContact O-N 3.03Å; K405-R408 VanDerWaalsContact O-N 3.09Å; E406-R408 PolarHBondContact O-N 2.91Å
409	I	54.4	Low	67.5	Low	116 Å²	116	83.9 Å²	83.9	60%	0.595	42%	0.416	S	S	*	.	H	α-helix	trans	-72	-36.4	177	-66.5	165.7	0	0	0	110.6	K405 E406 A407 S411	K405-I409 HydrophobicContact CG-CD1 4.13Å; K405-I409 WeakPolarHBondContact O-CG1 3.48Å; K405-I409 PolarHBondContact O-N 3.47Å; K405-I409 VanDerWaalsContact O-N 3.12Å; E406-I409 WeakPolarHBondContact O-CB 3.05Å; E406-I409 PolarHBondContact O-N 3.48Å; E406-I409 VanDerWaalsContact O-N 3.12Å; A407-I409 VanDerWaalsContact C-N 3.3Å; I409-S411 VanDerWaalsContact C-N 3.33Å; I409-S411 PolarHBondContact O-N 3.35Å
410	L	56.8	Low	69.2	Low	115 Å²	115	86 Å²	86	60%	0.602	43%	0.425	S	S	*	.	H	α-helix	trans	-72.5	-20.3	178.4	-71.7	167.2	0	0	0	114.4	L402 E406 A407 Y412	L402-L410 HydrophobicContact CD1-CD1 3.61Å; E406-L410 WeakPolarHBondContact O-CG 3.33Å; E406-L410 PolarHBondContact O-N 2.84Å; A407-L410 PolarHBondContact O-N 2.88Å; L410-Y412 PolarHBondContact O-N 2.9Å; L410-Y412 VanDerWaalsContact O-N 3.16Å
411	S	69.5	Low	71	Confident	11 Å²	11	85 Å²	85	8%	0.077	41%	0.412	C	S	.	.			trans	-70.3	109	175.1	173	0	0	0	0	110.2	A407 I409 G413 K414	A407-S411 PolarHBondContact O-N 2.98Å; I409-S411 VanDerWaalsContact C-N 3.33Å; I409-S411 PolarHBondContact O-N 3.35Å; S411-G413 PolarHBondContact O-N 3.49Å; S411-K414 PolarHBondContact O-N 2.9Å
412	Y	71.7	Confident	72.8	Confident	12 Å²	12	77.7 Å²	77.7	5%	0.047	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-52.9	-34.4	-175.7	69.7	-100.9	0	0	0	113.9	L410 K414 S415 F418 V439 G440 E441 Y597 V598 V602	L410-Y412 PolarHBondContact O-N 2.9Å; L410-Y412 VanDerWaalsContact O-N 3.16Å; Y412-K414 PolarHBondContact O-N 3.09Å; Y412-S415 PolarHBondContact O-N 2.87Å; Y412-S415 PolarHBondContact O-OG 2.79Å; Y412-F418 AromaticContact CD2-CD2 3.7Å; Y412-F418 HydrophobicContact CD2-CD2 3.7Å; Y412-F418 AromaticContact CD2-CE2 3.84Å; Y412-F418 HydrophobicContact CD2-CE2 3.84Å; Y412-F418 HydrophobicContact CD2-CG 4.24Å; Y412-F418 HydrophobicContact CE2-CD2 4.22Å; Y412-F418 AromaticContact CE2-CE2 3.88Å; Y412-F418 HydrophobicContact CE2-CE2 3.88Å; Y412-F418 HydrophobicContact CE2-CZ 4.39Å; Y412-F418 WeakPolarHBondContact O-CB 3.4Å; Y412-F418 WeakPolarHBondContact O-CG 3.32Å; Y412-V439 PolarHBondContact OH-O 2.86Å; Y412-G440 WeakPolarHBondContact OH-CA 3.45Å; Y412-E441 HydrophobicContact CD1-CG 4.34Å; Y412-E441 HydrophobicContact CE1-CG 3.96Å; Y412-Y597 HydrophobicContact CD2-CD1 4.27Å; Y412-Y597 HydrophobicContact CD2-CE1 4.34Å; Y412-Y597 HydrophobicContact CG-CE1 4.4Å; Y412-V598 HydrophobicContact CD2-CG2 4.49Å; Y412-V598 HydrophobicContact CE1-CG2 3.94Å; Y412-V598 HydrophobicContact CE2-CG2 3.8Å; Y412-V598 VanDerWaalsContact CZ-CG2 3.46Å; Y412-V598 WeakPolarHBondContact OH-CG2 3.44Å; Y412-V602 HydrophobicContact CD1-CG1 4.47Å; Y412-V602 HydrophobicContact CD1-CG2 3.95Å; Y412-V602 HydrophobicContact CG-CG2 4.19Å
413	G	70.4	Confident	74.4	Confident	10 Å²	10	81.1 Å²	81.1	10%	0.103	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-58.6	-10	179.1	0	0	0	0	0	115.3	S411	S411-G413 PolarHBondContact O-N 3.49Å
414	K	70	Confident	76	Confident	141 Å²	141	82.5 Å²	82.5	61%	0.613	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-118.8	2.4	176.2	-62.6	-169.2	178.1	-170.4	0	113.8	S411 Y412	S411-K414 PolarHBondContact O-N 2.9Å; Y412-K414 PolarHBondContact O-N 3.09Å
415	S	79.7	Confident	77.6	Confident	14 Å²	14	75.9 Å²	75.9	10%	0.098	37%	0.369	C	S	.	.	S	Bend	trans	-71.2	146.2	177.9	76.9	0	0	0	0	110.6	Y412 E417 F418 N419 Y597	Y412-S415 PolarHBondContact O-N 2.87Å; Y412-S415 PolarHBondContact O-OG 2.79Å; S415-E417 WeakPolarHBondContact CB-OE2 3.49Å; S415-E417 PolarHBondContact O-N 3.3Å; S415-F418 PolarHBondContact O-N 3.44Å; S415-F418 VanDerWaalsContact OG-CB 3.22Å; S415-F418 WeakPolarHBondContact OG-CB 3.24Å; S415-F418 PolarHBondContact OG-N 2.81Å; S415-N419 PolarHBondContact O-N 3.19Å; S415-N419 VanDerWaalsContact O-N 3.15Å; S415-N419 PolarHBondContact O-ND2 2.76Å; S415-Y597 PolarHBondContact OG-OH 3.05Å
416	P	86.4	Confident	79.3	Confident	96 Å²	96	73.5 Å²	73.5	62%	0.623	37%	0.368	S	S	*	.	H	α-helix	trans	-55.2	-37.2	171.4	-25.7	34.8	0	0	0	112.6	N419 K420	P416-N419 PolarHBondContact O-N 2.94Å; P416-K420 PolarHBondContact O-N 3.5Å
417	E	89.1	Confident	80.8	Confident	115 Å²	115	71.9 Å²	71.9	54%	0.537	38%	0.379	S	S	.	.	H	α-helix	trans	-67.9	-42.7	-178.2	-59.5	73.1	-156.8	0	0	111.6	S415 N419 K420 W421 Y597	S415-E417 WeakPolarHBondContact CB-OE2 3.49Å; S415-E417 PolarHBondContact O-N 3.3Å; E417-N419 VanDerWaalsContact C-N 3.35Å; E417-K420 PolarHBondContact O-N 3.45Å; E417-W421 PolarHBondContact O-N 3.24Å; E417-Y597 HydrophobicContact CB-CE2 4.4Å
418	F	90	Very high	82.4	Confident	0 Å²	0	73 Å²	73	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-63.8	-42.3	174.8	176.2	-99.6	0	0	0	111.3	Y412 S415 K420 W421 L422 R437 Y597	Y412-F418 AromaticContact CD2-CD2 3.7Å; Y412-F418 HydrophobicContact CD2-CD2 3.7Å; Y412-F418 AromaticContact CD2-CE2 3.84Å; Y412-F418 HydrophobicContact CD2-CE2 3.84Å; Y412-F418 HydrophobicContact CD2-CG 4.24Å; Y412-F418 HydrophobicContact CE2-CD2 4.22Å; Y412-F418 AromaticContact CE2-CE2 3.88Å; Y412-F418 HydrophobicContact CE2-CE2 3.88Å; Y412-F418 HydrophobicContact CE2-CZ 4.39Å; Y412-F418 WeakPolarHBondContact O-CB 3.4Å; Y412-F418 WeakPolarHBondContact O-CG 3.32Å; S415-F418 PolarHBondContact O-N 3.44Å; S415-F418 VanDerWaalsContact OG-CB 3.22Å; S415-F418 WeakPolarHBondContact OG-CB 3.24Å; S415-F418 PolarHBondContact OG-N 2.81Å; F418-K420 VanDerWaalsContact C-N 3.33Å; F418-K420 PolarHBondContact O-N 2.86Å; F418-W421 AromaticContact CD2-CE3 3.88Å; F418-W421 HydrophobicContact CD2-CE3 3.88Å; F418-W421 HydrophobicContact CD2-CZ3 4.17Å; F418-W421 AromaticContact CE2-CE3 3.72Å; F418-W421 HydrophobicContact CE2-CE3 3.72Å; F418-W421 AromaticContact CE2-CZ3 3.53Å; F418-W421 HydrophobicContact CE2-CZ3 3.53Å; F418-W421 HydrophobicContact CZ-CE3 4.4Å; F418-W421 HydrophobicContact CZ-CZ3 4.05Å; F418-W421 PolarHBondContact O-N 2.87Å; F418-L422 HydrophobicContact CE1-CD2 4.02Å; F418-L422 HydrophobicContact CZ-CD2 4.48Å; F418-L422 WeakPolarHBondContact O-CB 3.28Å; F418-L422 PolarHBondContact O-N 3.49Å; F418-R437 HydrophobicContact CE1-CG 4.47Å; F418-Y597 HydrophobicContact CB-CE1 4.1Å; F418-Y597 HydrophobicContact CB-CE2 4.18Å; F418-Y597 AromaticContact CD2-CD1 3.65Å; F418-Y597 HydrophobicContact CD2-CD1 3.65Å; F418-Y597 HydrophobicContact CD2-CD2 4.28Å; F418-Y597 AromaticContact CD2-CE1 3.97Å; F418-Y597 HydrophobicContact CD2-CE1 3.97Å; F418-Y597 AromaticContact CD2-CG 3.82Å; F418-Y597 HydrophobicContact CD2-CG 3.82Å; F418-Y597 HydrophobicContact CE2-CD1 4.41Å; F418-Y597 HydrophobicContact CE2-CG 4.5Å
419	N	90.7	Very high	84.2	Confident	44 Å²	44	67.3 Å²	67.3	24%	0.235	37%	0.371	C	S	.	.	H	α-helix	trans	-61.6	-43.8	175.5	-77.1	-61	0	0	0	111	S415 P416 E417 W421 L422 H423 R437	S415-N419 PolarHBondContact O-N 3.19Å; S415-N419 VanDerWaalsContact O-N 3.15Å; S415-N419 PolarHBondContact O-ND2 2.76Å; P416-N419 PolarHBondContact O-N 2.94Å; E417-N419 VanDerWaalsContact C-N 3.35Å; N419-W421 PolarHBondContact O-N 3.32Å; N419-L422 PolarHBondContact O-N 3.3Å; N419-H423 PolarHBondContact O-N 2.71Å; N419-H423 PolarHBondContact O-ND1 3.29Å; N419-R437 PolarHBondContact OD1-NH1 3.08Å
420	K	93.1	Very high	86	Confident	167 Å²	167	66.5 Å²	66.5	73%	0.726	38%	0.376	S	S	*	.	H	α-helix	trans	-59.4	-46	176.1	-173.5	-178.6	178.9	-177.4	0	111.7	P416 E417 F418 H423 S424	P416-K420 PolarHBondContact O-N 3.5Å; E417-K420 PolarHBondContact O-N 3.45Å; F418-K420 VanDerWaalsContact C-N 3.33Å; F418-K420 PolarHBondContact O-N 2.86Å; K420-H423 PolarHBondContact O-N 2.97Å; K420-S424 PolarHBondContact O-N 3.45Å
421	W	94.6	Very high	87.8	Confident	39 Å²	39	61.5 Å²	61.5	15%	0.148	35%	0.35	C	S	.	.	H	α-helix	trans	-59.2	-47.2	174.9	168.4	82.5	0	0	0	111.7	E367 E417 F418 N419 H423 S424 L425 L436 P595 S596 Y597	E367-W421 HydrophobicContact CG-CZ2 4.43Å; E417-W421 PolarHBondContact O-N 3.24Å; F418-W421 AromaticContact CD2-CE3 3.88Å; F418-W421 HydrophobicContact CD2-CE3 3.88Å; F418-W421 HydrophobicContact CD2-CZ3 4.17Å; F418-W421 AromaticContact CE2-CE3 3.72Å; F418-W421 HydrophobicContact CE2-CE3 3.72Å; F418-W421 AromaticContact CE2-CZ3 3.53Å; F418-W421 HydrophobicContact CE2-CZ3 3.53Å; F418-W421 HydrophobicContact CZ-CE3 4.4Å; F418-W421 HydrophobicContact CZ-CZ3 4.05Å; F418-W421 PolarHBondContact O-N 2.87Å; N419-W421 PolarHBondContact O-N 3.32Å; W421-H423 VanDerWaalsContact C-N 3.35Å; W421-H423 PolarHBondContact O-N 3.15Å; W421-S424 WeakPolarHBondContact O-CB 3.38Å; W421-S424 PolarHBondContact O-N 3.42Å; W421-S424 PolarHBondContact O-OG 2.83Å; W421-L425 HydrophobicContact CE3-CD1 4.48Å; W421-L425 HydrophobicContact CH2-CD1 3.66Å; W421-L425 HydrophobicContact CZ2-CD1 3.75Å; W421-L425 HydrophobicContact CZ2-CD2 4.32Å; W421-L425 HydrophobicContact CZ2-CG 4.47Å; W421-L425 HydrophobicContact CZ3-CD1 4.07Å; W421-L425 PolarHBondContact O-N 2.85Å; W421-L436 HydrophobicContact CH2-CD2 4.49Å; W421-P595 HydrophobicContact CH2-CB 3.64Å; W421-P595 HydrophobicContact CZ2-CB 4.15Å; W421-P595 HydrophobicContact CZ3-CB 4.32Å; W421-S596 WeakPolarHBondContact CZ2-OG 3.34Å; W421-S596 PolarHBondContact NE1-OG 2.89Å; W421-Y597 HydrophobicContact CB-CD2 3.7Å; W421-Y597 HydrophobicContact CB-CE2 4.23Å; W421-Y597 HydrophobicContact CD2-CD2 4.01Å; W421-Y597 HydrophobicContact CD2-CG 4.17Å; W421-Y597 HydrophobicContact CE3-CD2 4.35Å; W421-Y597 HydrophobicContact CE3-CG 4.27Å; W421-Y597 AromaticContact CG-CD2 3.71Å; W421-Y597 HydrophobicContact CG-CD2 3.71Å; W421-Y597 HydrophobicContact CG-CG 4.33Å
422	L	93.4	Very high	89	Confident	8 Å²	8	61 Å²	61	4%	0.042	35%	0.347	C	S	.	.	H	α-helix	trans	-62.9	-38.6	-178.7	-177.7	58.2	0	0	0	112.6	F418 N419 S424 L425 I433 L436 R437	F418-L422 HydrophobicContact CE1-CD2 4.02Å; F418-L422 HydrophobicContact CZ-CD2 4.48Å; F418-L422 WeakPolarHBondContact O-CB 3.28Å; F418-L422 PolarHBondContact O-N 3.49Å; N419-L422 PolarHBondContact O-N 3.3Å; L422-S424 VanDerWaalsContact C-N 3.26Å; L422-S424 PolarHBondContact O-N 3.36Å; L422-L425 HydrophobicContact CD1-CD1 4.12Å; L422-L425 PolarHBondContact O-N 3.49Å; L422-I433 HydrophobicContact CD1-CG2 4.4Å; L422-I433 HydrophobicContact CD2-CG2 4.18Å; L422-I433 HydrophobicContact CG-CG2 4.42Å; L422-L436 HydrophobicContact CD1-CB 4.16Å; L422-L436 HydrophobicContact CD1-CD1 3.77Å; L422-R437 HydrophobicContact CD2-CG 3.63Å
423	H	93.3	Very high	90	Very high	143 Å²	143	63.1 Å²	63.1	66%	0.662	36%	0.358	S	S	*	.	H	α-helix	trans	-71	-19.9	174.7	-70	91.7	0	0	0	113.3	N419 K420 W421 L425	N419-H423 PolarHBondContact O-N 2.71Å; N419-H423 PolarHBondContact O-ND1 3.29Å; K420-H423 PolarHBondContact O-N 2.97Å; W421-H423 VanDerWaalsContact C-N 3.35Å; W421-H423 PolarHBondContact O-N 3.15Å; H423-L425 VanDerWaalsContact C-N 3.28Å
424	S	95.3	Very high	91	Very high	81 Å²	81	66.9 Å²	66.9	57%	0.566	37%	0.373	S	S	*	.	H	α-helix	trans	-77.1	-16.7	175.7	78.9	0	0	0	0	113.1	K420 W421 L422	K420-S424 PolarHBondContact O-N 3.45Å; W421-S424 WeakPolarHBondContact O-CB 3.38Å; W421-S424 PolarHBondContact O-N 3.42Å; W421-S424 PolarHBondContact O-OG 2.83Å; L422-S424 VanDerWaalsContact C-N 3.26Å; L422-S424 PolarHBondContact O-N 3.36Å
425	L	95.2	Very high	92	Very high	37 Å²	37	60.1 Å²	60.1	19%	0.194	34%	0.344	C	S	.	.			trans	-76.4	136.6	178.6	-57.2	179.5	0	0	0	111	E367 W421 L422 H423 L428 L436	E367-L425 HydrophobicContact CB-CD1 3.83Å; E367-L425 HydrophobicContact CG-CD1 4.21Å; E367-L425 HydrophobicContact CG-CD2 4.29Å; W421-L425 HydrophobicContact CE3-CD1 4.48Å; W421-L425 HydrophobicContact CH2-CD1 3.66Å; W421-L425 HydrophobicContact CZ2-CD1 3.75Å; W421-L425 HydrophobicContact CZ2-CD2 4.32Å; W421-L425 HydrophobicContact CZ2-CG 4.47Å; W421-L425 HydrophobicContact CZ3-CD1 4.07Å; W421-L425 PolarHBondContact O-N 2.85Å; L422-L425 HydrophobicContact CD1-CD1 4.12Å; L422-L425 PolarHBondContact O-N 3.49Å; H423-L425 VanDerWaalsContact C-N 3.28Å; L425-L428 HydrophobicContact CB-CD1 3.74Å; L425-L428 HydrophobicContact CD1-CD1 3.77Å; L425-L428 HydrophobicContact CG-CD1 4.42Å; L425-L436 HydrophobicContact CD1-CD1 4.06Å
426	T	93.1	Very high	92.6	Very high	111 Å²	111	59.5 Å²	59.5	68%	0.681	34%	0.339	S	S	*	.			trans	-116.3	160	177.9	60	0	0	0	0	111.9	R371 L428	R371-T426 PolarHBondContact NE-O 2.68Å; R371-T426 VanDerWaalsContact NE-O 3.13Å; R371-T426 PolarHBondContact NH2-O 3.19Å; T426-L428 VanDerWaalsContact C-N 3.31Å; T426-L428 PolarHBondContact O-N 2.95Å
427	G	93	Very high	92.6	Very high	67 Å²	67	58.2 Å²	58.2	69%	0.691	32%	0.322	S	S	*	.	S	Bend	trans	73.3	13.5	175.1	0	0	0	0	0	115.9
428	L	93.4	Very high	92.4	Very high	27 Å²	27	52.7 Å²	52.7	14%	0.141	30%	0.296	C	S	.	.			trans	-91.4	143.8	177.4	-66.9	173.2	0	0	0	111.5	E367 R371 L425 T426 A432 I433 L436	E367-L428 HydrophobicContact CB-CD1 4.41Å; E367-L428 VanDerWaalsContact O-CD2 3.3Å; E367-L428 WeakPolarHBondContact O-CD2 3.44Å; R371-L428 HydrophobicContact CB-CD2 4.11Å; L425-L428 HydrophobicContact CB-CD1 3.74Å; L425-L428 HydrophobicContact CD1-CD1 3.77Å; L425-L428 HydrophobicContact CG-CD1 4.42Å; T426-L428 VanDerWaalsContact C-N 3.31Å; T426-L428 PolarHBondContact O-N 2.95Å; L428-A432 HydrophobicContact CB-CB 4.33Å; L428-A432 HydrophobicContact CD2-CB 4.19Å; L428-I433 HydrophobicContact CB-CG1 4.06Å; L428-L436 HydrophobicContact CD1-CD1 3.71Å
429	S	94.5	Very high	92	Very high	59 Å²	59	52.8 Å²	52.8	41%	0.413	30%	0.297	S	S	.	.			trans	-71.7	157.6	170.2	71.3	0	0	0	0	110.9	N431 A432 I433	S429-N431 PolarHBondContact O-N 2.71Å; S429-A432 PolarHBondContact O-N 3.39Å; S429-A432 VanDerWaalsContact O-N 3.09Å; S429-A432 WeakPolarHBondContact OG-CB 3.37Å; S429-A432 PolarHBondContact OG-N 2.85Å; S429-I433 WeakPolarHBondContact O-CG1 3.44Å; S429-I433 PolarHBondContact O-N 2.76Å
430	S	93.2	Very high	91.3	Very high	99 Å²	99	50.8 Å²	50.8	69%	0.692	29%	0.286	S	S	*	.	H	α-helix	trans	-55.5	-38.4	173.1	54.1	0	0	0	0	111.9	I433 E434	S430-I433 PolarHBondContact O-N 3.22Å; S430-E434 PolarHBondContact O-N 2.94Å; S430-E434 VanDerWaalsContact O-N 3.15Å
431	N	93.9	Very high	90.3	Very high	11 Å²	11	45.7 Å²	45.7	6%	0.059	27%	0.265	C	S	.	.	H	α-helix	trans	-64.4	-44.1	175.7	-168.5	-98.4	0	0	0	112.3	W376 L377 S429 I433 E434 I435	W376-N431 VanDerWaalsContact CA-OD1 3.32Å; W376-N431 WeakPolarHBondContact CA-OD1 3.44Å; W376-N431 PolarHBondContact NE1-ND2 2.96Å; L377-N431 PolarHBondContact N-OD1 2.89Å; L377-N431 PolarHBondContact O-ND2 3.4Å; S429-N431 PolarHBondContact O-N 2.71Å; N431-I433 VanDerWaalsContact C-N 3.31Å; N431-I433 PolarHBondContact O-N 2.82Å; N431-E434 PolarHBondContact O-N 2.87Å; N431-E434 VanDerWaalsContact O-N 3.16Å; N431-I435 WeakPolarHBondContact O-CG1 3.5Å; N431-I435 PolarHBondContact O-N 2.96Å; N431-I435 WeakPolarHBondContact OD1-CD1 3.28Å
432	A	94	Very high	89	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.008	27%	0.265	C	S	.	.	H	α-helix	trans	-61.5	-38.8	177	0	0	0	0	0	112.3	L370 L428 S429 E434 I435 L436	L370-A432 HydrophobicContact CB-CB 3.96Å; L370-A432 HydrophobicContact CD1-CB 4.13Å; L428-A432 HydrophobicContact CB-CB 4.33Å; L428-A432 HydrophobicContact CD2-CB 4.19Å; S429-A432 PolarHBondContact O-N 3.39Å; S429-A432 VanDerWaalsContact O-N 3.09Å; S429-A432 WeakPolarHBondContact OG-CB 3.37Å; S429-A432 PolarHBondContact OG-N 2.85Å; A432-E434 VanDerWaalsContact C-N 3.35Å; A432-I435 PolarHBondContact O-N 3Å; A432-L436 WeakPolarHBondContact O-CG 3.38Å; A432-L436 PolarHBondContact O-N 2.78Å
433	I	93.3	Very high	88	Confident	55 Å²	55	45.2 Å²	45.2	28%	0.282	27%	0.266	S	S	.	.	H	α-helix	trans	-61	-44.3	174.6	-66.5	170.1	0	0	0	110.6	L422 L428 S429 S430 N431 L436 R437	L422-I433 HydrophobicContact CD1-CG2 4.4Å; L422-I433 HydrophobicContact CD2-CG2 4.18Å; L422-I433 HydrophobicContact CG-CG2 4.42Å; L428-I433 HydrophobicContact CB-CG1 4.06Å; S429-I433 WeakPolarHBondContact O-CG1 3.44Å; S429-I433 PolarHBondContact O-N 2.76Å; S430-I433 PolarHBondContact O-N 3.22Å; N431-I433 VanDerWaalsContact C-N 3.31Å; N431-I433 PolarHBondContact O-N 2.82Å; I433-L436 PolarHBondContact O-N 2.83Å; I433-R437 WeakPolarHBondContact O-CG 3.48Å; I433-R437 PolarHBondContact O-N 2.79Å
434	E	91.1	Very high	86.9	Confident	89 Å²	89	38.6 Å²	38.6	42%	0.416	24%	0.235	S	C	.	.	H	α-helix	trans	-67.2	-36.7	176.9	-69.1	-55.2	135.6	0	0	112.6	I382 S430 N431 A432 R437 S438	I382-E434 HydrophobicContact CD1-CB 3.99Å; I382-E434 HydrophobicContact CG2-CB 4.31Å; S430-E434 PolarHBondContact O-N 2.94Å; S430-E434 VanDerWaalsContact O-N 3.15Å; N431-E434 PolarHBondContact O-N 2.87Å; N431-E434 VanDerWaalsContact O-N 3.16Å; A432-E434 VanDerWaalsContact C-N 3.35Å; E434-R437 PolarHBondContact O-N 2.63Å; E434-S438 WeakPolarHBondContact O-CB 3.32Å; E434-S438 PolarHBondContact O-N 3.01Å; E434-S438 PolarHBondContact O-OG 3.34Å
435	I	91.4	Very high	85.4	Confident	0 Å²	0	35 Å²	35	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.3	-51	172.1	-66.6	171.8	0	0	0	109.8	L370 F375 L377 I382 N431 A432 R437 S438 V439 P445	L370-I435 HydrophobicContact CD1-CB 4.2Å; L370-I435 HydrophobicContact CD1-CG2 4Å; L370-I435 HydrophobicContact CD2-CD1 4.17Å; L370-I435 HydrophobicContact CD2-CG2 4.25Å; F375-I435 HydrophobicContact CD1-CD1 3.96Å; F375-I435 HydrophobicContact CE1-CD1 4.29Å; L377-I435 HydrophobicContact CB-CD1 4.21Å; L377-I435 HydrophobicContact CB-CG1 4.42Å; L377-I435 HydrophobicContact CD1-CD1 4.14Å; L377-I435 HydrophobicContact CD1-CG1 4.1Å; L377-I435 HydrophobicContact CG-CD1 4.01Å; L377-I435 HydrophobicContact CG-CG1 4.41Å; I382-I435 HydrophobicContact CD1-CG1 4.3Å; I382-I435 HydrophobicContact CG1-CG1 4.44Å; N431-I435 WeakPolarHBondContact O-CG1 3.5Å; N431-I435 PolarHBondContact O-N 2.96Å; N431-I435 WeakPolarHBondContact OD1-CD1 3.28Å; A432-I435 PolarHBondContact O-N 3Å; I435-R437 VanDerWaalsContact C-N 3.27Å; I435-R437 PolarHBondContact O-N 2.92Å; I435-S438 PolarHBondContact O-N 3.42Å; I435-S438 PolarHBondContact O-OG 3.08Å; I435-V439 HydrophobicContact CG2-CG2 4.3Å; I435-V439 WeakPolarHBondContact O-CG2 3.35Å; I435-V439 PolarHBondContact O-N 3.41Å; I435-P445 HydrophobicContact CG2-CG 4.44Å
436	L	91.6	Very high	84.2	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-57.6	-36.9	178.7	-72.2	171.7	0	0	0	112.8	L366 E367 L370 W421 L422 L425 L428 A432 I433 P595	L366-L436 HydrophobicContact CB-CD2 4.26Å; L366-L436 HydrophobicContact CD2-CD2 3.81Å; L366-L436 HydrophobicContact CG-CD2 3.82Å; E367-L436 HydrophobicContact CB-CD1 4.12Å; E367-L436 HydrophobicContact CB-CD2 4.44Å; L370-L436 HydrophobicContact CD1-CD2 3.97Å; L370-L436 HydrophobicContact CD1-CG 3.82Å; W421-L436 HydrophobicContact CH2-CD2 4.49Å; L422-L436 HydrophobicContact CD1-CB 4.16Å; L422-L436 HydrophobicContact CD1-CD1 3.77Å; L425-L436 HydrophobicContact CD1-CD1 4.06Å; L428-L436 HydrophobicContact CD1-CD1 3.71Å; A432-L436 WeakPolarHBondContact O-CG 3.38Å; A432-L436 PolarHBondContact O-N 2.78Å; I433-L436 PolarHBondContact O-N 2.83Å; L436-P595 HydrophobicContact CD2-CG 4.14Å
437	R	88.1	Confident	83.9	Confident	69 Å²	69	33.3 Å²	33.3	26%	0.26	19%	0.193	S	C	.	.	H	α-helix	trans	-69.8	-31.5	175	-70.6	179.8	-176.9	-71	0.4	113.3	F418 N419 L422 I433 E434 I435	F418-R437 HydrophobicContact CE1-CG 4.47Å; N419-R437 PolarHBondContact OD1-NH1 3.08Å; L422-R437 HydrophobicContact CD2-CG 3.63Å; I433-R437 WeakPolarHBondContact O-CG 3.48Å; I433-R437 PolarHBondContact O-N 2.79Å; E434-R437 PolarHBondContact O-N 2.63Å; I435-R437 VanDerWaalsContact C-N 3.27Å; I435-R437 PolarHBondContact O-N 2.92Å
438	S	84.1	Confident	83.7	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-85.8	-21.5	-177	73.7	0	0	0	0	114.1	C386 E434 I435 G440	C386-S438 VanDerWaalsContact SG-CB 3.57Å; E434-S438 WeakPolarHBondContact O-CB 3.32Å; E434-S438 PolarHBondContact O-N 3.01Å; E434-S438 PolarHBondContact O-OG 3.34Å; I435-S438 PolarHBondContact O-N 3.42Å; I435-S438 PolarHBondContact O-OG 3.08Å; S438-G440 PolarHBondContact O-N 3.35Å
439	V	82.6	Confident	83.7	Confident	2 Å²	2	32.5 Å²	32.5	1%	0.012	17%	0.173	C	C	.	.			trans	-68.6	128.9	172.2	173.7	0	0	0	0	108.8	L366 Y412 I435 T443	L366-V439 HydrophobicContact CD2-CB 4.38Å; L366-V439 HydrophobicContact CD2-CG1 4.32Å; L366-V439 HydrophobicContact CD2-CG2 3.9Å; Y412-V439 PolarHBondContact OH-O 2.86Å; I435-V439 HydrophobicContact CG2-CG2 4.3Å; I435-V439 WeakPolarHBondContact O-CG2 3.35Å; I435-V439 PolarHBondContact O-N 3.41Å; V439-T443 WeakPolarHBondContact CA-O 3.34Å
440	G	74.7	Confident	83.7	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.01	15%	0.154	C	C	.	.			trans	-122.5	-176.9	176.8	0	0	0	0	0	111.5	Y412 S438 D442 T443 R550	Y412-G440 WeakPolarHBondContact OH-CA 3.45Å; S438-G440 PolarHBondContact O-N 3.35Å; G440-D442 PolarHBondContact O-N 2.8Å; G440-T443 PolarHBondContact N-O 3.23Å; G440-R550 PolarHBondContact O-NH2 2.96Å
441	E	72.4	Confident	83.8	Confident	61 Å²	61	25 Å²	25	29%	0.285	12%	0.121	S	C	.	.	S	Bend	trans	-56.5	-39.6	173.8	-65.9	177.3	-160.4	0	0	112	R396 Y412 R550 L569 V602	R396-E441 IonicContact CZ-OE2 3.91Å; R396-E441 IonicContact NH1-OE2 3.91Å; R396-E441 PolarHBondContact NH1-OE2 2.84Å; Y412-E441 HydrophobicContact CD1-CG 4.34Å; Y412-E441 HydrophobicContact CE1-CG 3.96Å; E441-R550 VanDerWaalsContact C-NH2 3.33Å; E441-R550 VanDerWaalsContact O-CZ 3.25Å; E441-R550 PolarHBondContact O-NE 3.17Å; E441-R550 PolarHBondContact O-NH2 3.35Å; E441-L569 HydrophobicContact CB-CD1 4.06Å; E441-L569 HydrophobicContact CB-CG 4.44Å; E441-L569 HydrophobicContact CG-CD1 3.96Å; E441-V602 HydrophobicContact CG-CG1 4.14Å
442	D	67.7	Low	83.8	Confident	29 Å²	29	27.8 Å²	27.8	16%	0.155	13%	0.133	C	C	.	.	S	Bend	trans	-109.1	-3.2	-174.1	-53	-48	0	0	0	114.2	T392 R396 G440	T392-D442 HydrophobicContact CG2-CB 3.58Å; T392-D442 WeakPolarHBondContact CG2-OD2 3.4Å; R396-D442 IonicContact CZ-OD1 3.9Å; R396-D442 IonicContact CZ-OD2 2.94Å; R396-D442 IonicContact NE-OD2 3.46Å; R396-D442 VanDerWaalsContact NH1-CG 3.31Å; R396-D442 IonicContact NH1-OD1 3.8Å; R396-D442 PolarHBondContact NH1-OD1 3.01Å; R396-D442 IonicContact NH1-OD2 3.96Å; R396-D442 PolarHBondContact NH1-OD2 3.47Å; R396-D442 IonicContact NH2-OD1 2.79Å; R396-D442 PolarHBondContact NH2-OD1 2.95Å; R396-D442 IonicContact NH2-OD2 2.75Å; R396-D442 PolarHBondContact NH2-OD2 3.4Å; G440-D442 PolarHBondContact O-N 2.8Å
443	T	72.4	Confident	83.9	Confident	8 Å²	8	27.8 Å²	27.8	5%	0.049	13%	0.133	C	C	.	.			trans	-130	123.9	-172	-48.7	0	0	0	0	109.7	L385 D388 Q389 V439 G440 R550	L385-T443 HydrophobicContact CB-CG2 4.2Å; L385-T443 HydrophobicContact CD2-CG2 3.72Å; D388-T443 HydrophobicContact CB-CG2 3.97Å; Q389-T443 WeakPolarHBondContact CA-OG1 3.43Å; Q389-T443 PolarHBondContact N-OG1 2.78Å; V439-T443 WeakPolarHBondContact CA-O 3.34Å; G440-T443 PolarHBondContact N-O 3.23Å; T443-R550 PolarHBondContact O-NH2 3.37Å
444	Y	70.9	Confident	84.1	Confident	4 Å²	4	25.2 Å²	25.2	2%	0.016	12%	0.12	C	C	.	.			trans	-146.3	156.3	173.5	73	-68.5	0	0	0	107.9	K446 I450 C548	Y444-K446 HydrophobicContact CD1-CG 3.79Å; Y444-K446 HydrophobicContact CE1-CB 4.12Å; Y444-K446 HydrophobicContact CE1-CD 3.94Å; Y444-K446 HydrophobicContact CE1-CG 3.5Å; Y444-K446 VanDerWaalsContact CE1-CG 3.5Å; Y444-K446 VanDerWaalsContact CE2-CA 3.45Å; Y444-K446 HydrophobicContact CE2-CB 4.12Å; Y444-K446 HydrophobicContact CE2-CG 4.33Å; Y444-K446 HydrophobicContact CG-CG 4.33Å; Y444-K446 VanDerWaalsContact O-CG 3.28Å; Y444-K446 WeakPolarHBondContact O-CG 3.1Å; Y444-K446 PolarHBondContact O-N 2.77Å; Y444-I450 HydrophobicContact CE2-CD1 4.25Å; Y444-C548 HydrophobicContact CE2-CB 3.73Å
445	P	62.1	Low	84.3	Confident	6 Å²	6	21.6 Å²	21.6	4%	0.039	10%	0.103	C	C	.	.			trans	-67.9	83.5	175	26.3	-32.8	0	0	0	109.7	F375 L377 L385 I435 T447 L449	F375-P445 HydrophobicContact CE1-CB 4.42Å; F375-P445 HydrophobicContact CE1-CG 4.45Å; L377-P445 HydrophobicContact CD1-CB 3.84Å; L377-P445 HydrophobicContact CD1-CG 4.39Å; L385-P445 HydrophobicContact CD1-CB 4.24Å; I435-P445 HydrophobicContact CG2-CG 4.44Å; P445-T447 PolarHBondContact O-N 3.08Å; P445-L449 HydrophobicContact CB-CB 4.34Å; P445-L449 HydrophobicContact CG-CB 4Å; P445-L449 HydrophobicContact CG-CD2 3.93Å; P445-L449 WeakPolarHBondContact O-CB 3.23Å
446	K	71.7	Confident	84.5	Confident	88 Å²	88	23.7 Å²	23.7	38%	0.383	11%	0.113	S	C	.	.	H	α-helix	trans	-55.7	-59.8	-155.9	-60.4	-163.2	174.8	177.9	0	112.8	Y444 I450	Y444-K446 HydrophobicContact CD1-CG 3.79Å; Y444-K446 HydrophobicContact CE1-CB 4.12Å; Y444-K446 HydrophobicContact CE1-CD 3.94Å; Y444-K446 HydrophobicContact CE1-CG 3.5Å; Y444-K446 VanDerWaalsContact CE1-CG 3.5Å; Y444-K446 VanDerWaalsContact CE2-CA 3.45Å; Y444-K446 HydrophobicContact CE2-CB 4.12Å; Y444-K446 HydrophobicContact CE2-CG 4.33Å; Y444-K446 HydrophobicContact CG-CG 4.33Å; Y444-K446 VanDerWaalsContact O-CG 3.28Å; Y444-K446 WeakPolarHBondContact O-CG 3.1Å; Y444-K446 PolarHBondContact O-N 2.77Å; K446-I450 WeakPolarHBondContact O-CD1 3.44Å; K446-I450 WeakPolarHBondContact O-CG1 3.42Å
447	T	85.8	Confident	84.8	Confident	23 Å²	23	23.8 Å²	23.8	14%	0.141	11%	0.113	C	C	.	.	H	α-helix	trans	-95.3	-43.6	-163.4	-48.6	0	0	0	0	111.6	P445 I450 A451 D478 V479 C482	P445-T447 PolarHBondContact O-N 3.08Å; T447-I450 PolarHBondContact O-N 3.43Å; T447-A451 WeakPolarHBondContact O-CB 3.31Å; T447-A451 PolarHBondContact O-N 3.46Å; T447-D478 HydrophobicContact CG2-CB 3.7Å; T447-D478 WeakPolarHBondContact CG2-O 3.46Å; T447-V479 HydrophobicContact CG2-CB 4.45Å; T447-V479 HydrophobicContact CG2-CG2 4.03Å; T447-C482 HydrophobicContact CG2-CB 3.67Å
448	D	89.6	Confident	85.2	Confident	77 Å²	77	21.3 Å²	21.3	41%	0.412	11%	0.105	S	C	.	.	H	α-helix	trans	-65.1	-46.7	-174.6	-56.6	-48.5	0	0	0	111.5	F375 I450 A451 H452	F375-D448 HydrophobicContact CE2-CB 4.07Å; F375-D448 HydrophobicContact CZ-CB 3.85Å; D448-I450 VanDerWaalsContact C-N 3.33Å; D448-I450 PolarHBondContact O-N 2.82Å; D448-A451 PolarHBondContact O-N 2.79Å; D448-H452 WeakPolarHBondContact O-CB 3.09Å; D448-H452 PolarHBondContact O-N 2.92Å; D448-H452 PolarHBondContact O-ND1 3.03Å
449	L	92.8	Very high	85.7	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.4	-39	-179.2	179	63	0	0	0	111.8	L366 V369 L370 F375 P445 S453 L593	L366-L449 HydrophobicContact CD1-CD2 3.48Å; L366-L449 VanDerWaalsContact CD1-CD2 3.48Å; V369-L449 HydrophobicContact CG1-CD1 4.32Å; L370-L449 HydrophobicContact CD2-CD1 4.31Å; F375-L449 HydrophobicContact CB-CD1 4.09Å; F375-L449 HydrophobicContact CD1-CD1 3.7Å; F375-L449 HydrophobicContact CD2-CD1 4.18Å; F375-L449 HydrophobicContact CE1-CB 4.07Å; F375-L449 HydrophobicContact CE1-CD1 4.12Å; F375-L449 HydrophobicContact CE2-CB 4.45Å; F375-L449 HydrophobicContact CG-CD1 3.72Å; F375-L449 HydrophobicContact CZ-CB 4.03Å; P445-L449 HydrophobicContact CB-CB 4.34Å; P445-L449 HydrophobicContact CG-CB 4Å; P445-L449 HydrophobicContact CG-CD2 3.93Å; P445-L449 WeakPolarHBondContact O-CB 3.23Å; L449-S453 VanDerWaalsContact O-CB 3.31Å; L449-S453 WeakPolarHBondContact O-CB 3.36Å; L449-S453 PolarHBondContact O-N 3.08Å; L449-S453 PolarHBondContact O-OG 2.75Å; L449-L593 HydrophobicContact CD2-CB 4.23Å; L449-L593 HydrophobicContact CD2-CD1 4.28Å; L449-L593 HydrophobicContact CD2-CD2 4.2Å; L449-L593 HydrophobicContact CD2-CG 4.48Å; L449-L593 HydrophobicContact CG-CD1 4.2Å; L449-L593 HydrophobicContact CG-CD2 4.26Å
450	I	95	Very high	86.2	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-61.1	-50.9	175.3	-68.6	176.3	0	0	0	109.9	Y444 K446 T447 D448 H452 S453 V454 V468 V470 V479 C548 L593	Y444-I450 HydrophobicContact CE2-CD1 4.25Å; K446-I450 WeakPolarHBondContact O-CD1 3.44Å; K446-I450 WeakPolarHBondContact O-CG1 3.42Å; T447-I450 PolarHBondContact O-N 3.43Å; D448-I450 VanDerWaalsContact C-N 3.33Å; D448-I450 PolarHBondContact O-N 2.82Å; I450-H452 VanDerWaalsContact C-N 3.35Å; I450-H452 PolarHBondContact O-N 3.41Å; I450-S453 WeakPolarHBondContact O-CB 3.34Å; I450-S453 PolarHBondContact O-N 3.27Å; I450-V454 WeakPolarHBondContact O-CG2 3.41Å; I450-V454 PolarHBondContact O-N 2.94Å; I450-V468 HydrophobicContact CG2-CG1 3.45Å; I450-V468 VanDerWaalsContact CG2-CG1 3.45Å; I450-V470 HydrophobicContact CD1-CG1 3.71Å; I450-V479 HydrophobicContact CB-CG2 4.12Å; I450-V479 HydrophobicContact CD1-CG2 4.03Å; I450-V479 HydrophobicContact CG2-CB 4.45Å; I450-V479 HydrophobicContact CG2-CG1 3.67Å; I450-V479 HydrophobicContact CG2-CG2 3.81Å; I450-C548 HydrophobicContact CD1-CB 4.32Å; I450-L593 HydrophobicContact CB-CD1 4.38Å; I450-L593 HydrophobicContact CD1-CD1 4.5Å; I450-L593 HydrophobicContact CG1-CD1 3.43Å; I450-L593 VanDerWaalsContact CG1-CD1 3.43Å
451	A	95.1	Very high	87.1	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.7	-40.3	-176.7	0	0	0	0	0	112.2	T447 D448 V454 E455 C482 L483 L486	T447-A451 WeakPolarHBondContact O-CB 3.31Å; T447-A451 PolarHBondContact O-N 3.46Å; D448-A451 PolarHBondContact O-N 2.79Å; A451-V454 PolarHBondContact O-N 3.43Å; A451-E455 PolarHBondContact O-N 3.18Å; A451-C482 HydrophobicContact CB-CB 3.9Å; A451-C482 WeakPolarHBondContact CB-SG 3.23Å; A451-L483 HydrophobicContact CB-CD2 3.82Å; A451-L483 HydrophobicContact CB-CG 4.13Å; A451-L486 HydrophobicContact CB-CD1 3.6Å
452	H	94	Very high	87.9	Confident	69 Å²	69	38.4 Å²	38.4	32%	0.319	19%	0.194	S	C	.	.	H	α-helix	trans	-68	-35.3	174.8	-73.2	74.8	0	0	0	112.7	F375 D448 I450 E455 H456	F375-H452 HydrophobicContact CD2-CB 3.76Å; F375-H452 AromaticContact CD2-CG 3.68Å; F375-H452 HydrophobicContact CE2-CB 4.08Å; F375-H452 AromaticContact CE2-CE1 4Å; F375-H452 AromaticContact CE2-CG 3.71Å; F375-H452 AromaticContact CE2-ND1 3.59Å; D448-H452 WeakPolarHBondContact O-CB 3.09Å; D448-H452 PolarHBondContact O-N 2.92Å; D448-H452 PolarHBondContact O-ND1 3.03Å; I450-H452 VanDerWaalsContact C-N 3.35Å; I450-H452 PolarHBondContact O-N 3.41Å; H452-E455 PolarHBondContact O-N 2.98Å; H452-H456 WeakPolarHBondContact O-CB 3.29Å; H452-H456 PolarHBondContact O-N 3.02Å
453	S	96	Very high	89	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.014	21%	0.212	C	C	.	.	H	α-helix	trans	-65.1	-41.7	174.6	-58.9	0	0	0	0	111.2	L449 I450 H456 I457	L449-S453 VanDerWaalsContact O-CB 3.31Å; L449-S453 WeakPolarHBondContact O-CB 3.36Å; L449-S453 PolarHBondContact O-N 3.08Å; L449-S453 PolarHBondContact O-OG 2.75Å; I450-S453 WeakPolarHBondContact O-CB 3.34Å; I450-S453 PolarHBondContact O-N 3.27Å; S453-H456 PolarHBondContact O-N 3.48Å; S453-I457 VanDerWaalsContact O-CG1 3.3Å; S453-I457 WeakPolarHBondContact O-CG1 3.48Å; S453-I457 PolarHBondContact O-N 2.98Å; S453-I457 VanDerWaalsContact O-N 3.09Å
454	V	97	Very high	89.9	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.9	-48.5	173	172	0	0	0	0	110.7	I450 A451 H456 I457 L458 I466 V468 L483 V526 I546	I450-V454 WeakPolarHBondContact O-CG2 3.41Å; I450-V454 PolarHBondContact O-N 2.94Å; A451-V454 PolarHBondContact O-N 3.43Å; V454-H456 VanDerWaalsContact C-N 3.35Å; V454-H456 PolarHBondContact O-N 3.22Å; V454-I457 PolarHBondContact O-N 3.17Å; V454-L458 HydrophobicContact CG1-CD1 3.72Å; V454-L458 HydrophobicContact CG1-CG 4.4Å; V454-L458 VanDerWaalsContact O-CG 3.3Å; V454-L458 WeakPolarHBondContact O-CG 3.34Å; V454-L458 PolarHBondContact O-N 3.17Å; V454-I466 HydrophobicContact CG1-CD1 4.31Å; V454-V468 HydrophobicContact CG2-CG2 3.84Å; V454-L483 HydrophobicContact CB-CD2 3.83Å; V454-L483 HydrophobicContact CG1-CD1 4.46Å; V454-L483 HydrophobicContact CG1-CD2 3.75Å; V454-L483 HydrophobicContact CG2-CD2 4.45Å; V454-V526 HydrophobicContact CG1-CG1 4.21Å; V454-V526 HydrophobicContact CG1-CG2 4.07Å; V454-I546 HydrophobicContact CB-CD1 4.39Å; V454-I546 HydrophobicContact CG2-CD1 3.53Å
455	E	95.9	Very high	91.1	Very high	14 Å²	14	40.9 Å²	40.9	7%	0.065	22%	0.217	C	C	.	.	H	α-helix	trans	-60	-43.1	178	-87.2	-62.2	112.2	0	0	112.6	A451 H452 L458 Q459 R490 Y491	A451-E455 PolarHBondContact O-N 3.18Å; H452-E455 PolarHBondContact O-N 2.98Å; E455-L458 PolarHBondContact O-N 3.39Å; E455-Q459 WeakPolarHBondContact O-CB 3.19Å; E455-Q459 WeakPolarHBondContact O-CG 3.45Å; E455-Q459 PolarHBondContact O-N 2.9Å; E455-Q459 PolarHBondContact OE2-NE2 3.23Å; E455-Q459 VanDerWaalsContact OE2-NE2 3.15Å; E455-R490 WeakPolarHBondContact OE1-CD 3.36Å; E455-R490 IonicContact OE1-CZ 2.71Å; E455-R490 IonicContact OE1-NE 3.73Å; E455-R490 IonicContact OE1-NH1 2.64Å; E455-R490 PolarHBondContact OE1-NH1 2.99Å; E455-R490 IonicContact OE2-CZ 3.78Å; E455-R490 IonicContact OE2-NH1 2.9Å; E455-R490 PolarHBondContact OE2-NH1 3.22Å; E455-Y491 WeakPolarHBondContact OE1-CE2 3.16Å; E455-Y491 VanDerWaalsContact OE1-CZ 3.23Å; E455-Y491 PolarHBondContact OE1-OH 3.14Å
456	H	96	Very high	92.8	Very high	44 Å²	44	40.6 Å²	40.6	20%	0.204	22%	0.216	C	C	.	.	H	α-helix	trans	-58.1	-49.9	176.4	176.2	79.7	0	0	0	111.3	T373 H452 S453 V454 L458 Q459 S460	T373-H456 HydrophobicContact CG2-CB 3.89Å; H452-H456 WeakPolarHBondContact O-CB 3.29Å; H452-H456 PolarHBondContact O-N 3.02Å; S453-H456 PolarHBondContact O-N 3.48Å; V454-H456 VanDerWaalsContact C-N 3.35Å; V454-H456 PolarHBondContact O-N 3.22Å; H456-L458 VanDerWaalsContact C-N 3.34Å; H456-L458 PolarHBondContact O-N 3.21Å; H456-Q459 PolarHBondContact O-N 2.8Å; H456-Q459 VanDerWaalsContact O-N 3.16Å; H456-S460 WeakPolarHBondContact O-CB 3.38Å; H456-S460 PolarHBondContact O-N 3.22Å; H456-S460 PolarHBondContact O-OG 3.34Å
457	I	97	Very high	93.9	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-61	-43.8	178.4	-65.2	167.4	0	0	0	110.8	S453 V454 Q459 S460 T461 I466 Y544 I546 Y591	S453-I457 VanDerWaalsContact O-CG1 3.3Å; S453-I457 WeakPolarHBondContact O-CG1 3.48Å; S453-I457 PolarHBondContact O-N 2.98Å; S453-I457 VanDerWaalsContact O-N 3.09Å; V454-I457 PolarHBondContact O-N 3.17Å; I457-Q459 PolarHBondContact O-N 2.59Å; I457-S460 PolarHBondContact O-N 3.11Å; I457-T461 HydrophobicContact CG2-CG2 4.31Å; I457-T461 WeakPolarHBondContact O-CB 3.39Å; I457-T461 WeakPolarHBondContact O-CG2 3.4Å; I457-T461 PolarHBondContact O-N 2.82Å; I457-T461 PolarHBondContact O-OG1 3.34Å; I457-I466 HydrophobicContact CB-CD1 3.92Å; I457-I466 HydrophobicContact CD1-CG2 4.43Å; I457-I466 HydrophobicContact CG2-CD1 3.56Å; I457-I466 HydrophobicContact CG2-CG1 4.03Å; I457-Y544 HydrophobicContact CD1-CG 4.47Å; I457-Y544 HydrophobicContact CG2-CD1 3.79Å; I457-Y544 HydrophobicContact CG2-CD2 3.73Å; I457-Y544 HydrophobicContact CG2-CE1 4.13Å; I457-Y544 HydrophobicContact CG2-CE2 4.07Å; I457-Y544 HydrophobicContact CG2-CG 3.6Å; I457-I546 HydrophobicContact CD1-CD1 3.79Å; I457-I546 HydrophobicContact CD1-CG1 3.96Å; I457-Y591 HydrophobicContact CD1-CD2 3.68Å; I457-Y591 HydrophobicContact CD1-CE2 3.5Å; I457-Y591 HydrophobicContact CG1-CD2 4.38Å; I457-Y591 HydrophobicContact CG1-CE2 3.76Å
458	L	96	Very high	94.5	Very high	17 Å²	17	35.4 Å²	35.4	9%	0.089	19%	0.191	C	C	.	.	H	α-helix	trans	-65.6	-27.1	179.1	-70.4	167.4	0	0	0	113.1	V454 E455 H456 I466 Y491 V498 R524 V526	V454-L458 HydrophobicContact CG1-CD1 3.72Å; V454-L458 HydrophobicContact CG1-CG 4.4Å; V454-L458 VanDerWaalsContact O-CG 3.3Å; V454-L458 WeakPolarHBondContact O-CG 3.34Å; V454-L458 PolarHBondContact O-N 3.17Å; E455-L458 PolarHBondContact O-N 3.39Å; H456-L458 VanDerWaalsContact C-N 3.34Å; H456-L458 PolarHBondContact O-N 3.21Å; L458-I466 HydrophobicContact CD2-CD1 3.89Å; L458-I466 HydrophobicContact CG-CD1 3.83Å; L458-Y491 HydrophobicContact CD1-CE1 4.26Å; L458-Y491 WeakPolarHBondContact CD1-OH 3.4Å; L458-V498 HydrophobicContact CD1-CG1 4.45Å; L458-V498 HydrophobicContact CD1-CG2 3.9Å; L458-V498 HydrophobicContact CD2-CG2 4.02Å; L458-R524 HydrophobicContact CD2-CB 3.7Å; L458-R524 HydrophobicContact CD2-CG 3.79Å; L458-V526 HydrophobicContact CD1-CG2 4.48Å
459	Q	94.4	Very high	94.8	Very high	131 Å²	131	31.8 Å²	31.8	61%	0.612	17%	0.172	S	C	*	.	H	α-helix	trans	-84.9	-33.6	176.9	-69.9	170.4	14.9	0	0	112.5	E455 H456 I457	E455-Q459 WeakPolarHBondContact O-CB 3.19Å; E455-Q459 WeakPolarHBondContact O-CG 3.45Å; E455-Q459 PolarHBondContact O-N 2.9Å; E455-Q459 PolarHBondContact OE2-NE2 3.23Å; E455-Q459 VanDerWaalsContact OE2-NE2 3.15Å; H456-Q459 PolarHBondContact O-N 2.8Å; H456-Q459 VanDerWaalsContact O-N 3.16Å; I457-Q459 PolarHBondContact O-N 2.59Å
460	S	94.3	Very high	94.8	Very high	70 Å²	70	31.8 Å²	31.8	49%	0.49	17%	0.172	S	C	.	.	H	α-helix	trans	-89.9	-10.9	-177.2	62.2	0	0	0	0	114.1	H456 I457	H456-S460 WeakPolarHBondContact O-CB 3.38Å; H456-S460 PolarHBondContact O-N 3.22Å; H456-S460 PolarHBondContact O-OG 3.34Å; I457-S460 PolarHBondContact O-N 3.11Å
461	T	94.1	Very high	94.6	Very high	25 Å²	25	32.2 Å²	32.2	15%	0.153	17%	0.174	C	C	.	.			trans	-134.2	150.5	-172.7	72.6	0	0	0	0	112.4	I457 R524 Y544	I457-T461 HydrophobicContact CG2-CG2 4.31Å; I457-T461 WeakPolarHBondContact O-CB 3.39Å; I457-T461 WeakPolarHBondContact O-CG2 3.4Å; I457-T461 PolarHBondContact O-N 2.82Å; I457-T461 PolarHBondContact O-OG1 3.34Å; T461-R524 PolarHBondContact O-NH1 2.82Å; T461-R524 PolarHBondContact OG1-NH1 3.05Å; T461-R524 PolarHBondContact OG1-NH2 3.05Å; T461-Y544 VanDerWaalsContact CB-OH 3.3Å; T461-Y544 WeakPolarHBondContact CB-OH 3.36Å; T461-Y544 HydrophobicContact CG2-CE1 3.86Å; T461-Y544 HydrophobicContact CG2-CE2 4.4Å; T461-Y544 WeakPolarHBondContact CG2-OH 3.47Å
462	Q	88	Confident	94.2	Very high	197 Å²	197	32.3 Å²	32.3	92%	0.921	18%	0.175	S	C	*	.	S	Bend	trans	-99.8	-23.6	-174.3	-63.3	-177.7	4.8	0	0	114.6
463	S	91.3	Very high	93.7	Very high	77 Å²	77	30.4 Å²	30.4	54%	0.538	17%	0.168	S	C	.	.	S	Bend	trans	-145.3	175.5	-174.8	71.4	0	0	0	0	112.2	R524 Y544	S463-R524 PolarHBondContact O-NH2 3.09Å; S463-R524 VanDerWaalsContact O-NH2 3.15Å; S463-Y544 WeakPolarHBondContact O-CE2 3.38Å
464	G	92.1	Very high	93.2	Very high	17 Å²	17	34 Å²	34	18%	0.175	19%	0.189	C	C	.	.			trans	90.5	140.1	177.9	0	0	0	0	0	114.2	R524	G464-R524 VanDerWaalsContact O-CZ 3.29Å; G464-R524 PolarHBondContact O-NE 3.07Å; G464-R524 PolarHBondContact O-NH2 3.14Å
465	A	94.8	Very high	92.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	150.9	176.5	0	0	0	0	0	111.6	K525 D541 V542 V543 Y544	A465-K525 WeakPolarHBondContact CA-O 3.2Å; A465-K525 HydrophobicContact CB-CB 3.86Å; A465-K525 HydrophobicContact CB-CD 3.85Å; A465-K525 HydrophobicContact CB-CG 4Å; A465-D541 VanDerWaalsContact CB-O 3.3Å; A465-D541 WeakPolarHBondContact CB-O 3.41Å; A465-D541 PolarHBondContact N-O 2.88Å; A465-V542 HydrophobicContact CB-CG2 4.41Å; A465-V543 PolarHBondContact O-N 3.48Å; A465-Y544 PolarHBondContact O-N 3Å; A465-Y544 VanDerWaalsContact O-N 3.15Å
466	I	97.3	Very high	92.6	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	126.4	177.2	-51	177.7	0	0	0	108.1	V454 I457 L458 V468 K525 V526 V527 Y544 I546	V454-I466 HydrophobicContact CG1-CD1 4.31Å; I457-I466 HydrophobicContact CB-CD1 3.92Å; I457-I466 HydrophobicContact CD1-CG2 4.43Å; I457-I466 HydrophobicContact CG2-CD1 3.56Å; I457-I466 HydrophobicContact CG2-CG1 4.03Å; L458-I466 HydrophobicContact CD2-CD1 3.89Å; L458-I466 HydrophobicContact CG-CD1 3.83Å; I466-V468 HydrophobicContact CG2-CG2 4.08Å; I466-K525 PolarHBondContact N-O 3.36Å; I466-V526 HydrophobicContact CB-CG2 4.29Å; I466-V526 HydrophobicContact CD1-CG2 4.19Å; I466-V526 CarbonylContact O-C 3.43Å; I466-V526 WeakPolarHBondContact O-CA 3.43Å; I466-V527 PolarHBondContact O-N 3.04Å; I466-Y544 CarbonylContact C-O 3.59Å; I466-Y544 WeakPolarHBondContact CA-O 3.47Å; I466-Y544 HydrophobicContact CG1-CD2 4.14Å; I466-I546 HydrophobicContact CG2-CD1 4.02Å; I466-I546 HydrophobicContact CG2-CG1 4.41Å
467	L	96.6	Very high	92.3	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	122.6	172.9	176.9	62.1	0	0	0	109.8	F469 V527 A529 A533 I539 V542 Y544 V545 I546 R581	L467-F469 HydrophobicContact CD2-CE2 3.71Å; L467-F469 HydrophobicContact CD2-CZ 3.7Å; L467-F469 HydrophobicContact CG-CE2 3.99Å; L467-F469 HydrophobicContact CG-CZ 4.24Å; L467-V527 CarbonylContact C-O 3.56Å; L467-V527 WeakPolarHBondContact CA-O 3.23Å; L467-V527 HydrophobicContact CD1-CB 3.83Å; L467-V527 HydrophobicContact CD1-CG1 3.75Å; L467-A529 HydrophobicContact CD1-CB 3.93Å; L467-A533 HydrophobicContact CD1-CB 3.9Å; L467-A533 HydrophobicContact CD2-CB 4.15Å; L467-I539 HydrophobicContact CD1-CD1 4.43Å; L467-V542 HydrophobicContact CB-CG1 3.83Å; L467-V542 HydrophobicContact CB-CG2 4.05Å; L467-Y544 PolarHBondContact N-O 2.9Å; L467-V545 HydrophobicContact CB-CG2 4.43Å; L467-V545 CarbonylContact O-C 3.54Å; L467-V545 VanDerWaalsContact O-CA 3.26Å; L467-V545 WeakPolarHBondContact O-CA 3.34Å; L467-I546 PolarHBondContact O-N 3.42Å; L467-R581 HydrophobicContact CD2-CB 3.7Å; L467-R581 HydrophobicContact CD2-CG 3.98Å
468	V	96.8	Very high	92.1	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	120.7	-176.9	-174.3	0	0	0	0	109.2	I450 V454 I466 V470 V526 V527 I528 A529 I546	I450-V468 HydrophobicContact CG2-CG1 3.45Å; I450-V468 VanDerWaalsContact CG2-CG1 3.45Å; V454-V468 HydrophobicContact CG2-CG2 3.84Å; I466-V468 HydrophobicContact CG2-CG2 4.08Å; V468-V470 HydrophobicContact CG1-CG1 4.16Å; V468-V526 HydrophobicContact CG2-CG1 4.41Å; V468-V527 PolarHBondContact N-O 3.07Å; V468-I528 HydrophobicContact CB-CG1 4.27Å; V468-I528 HydrophobicContact CB-CG2 4.37Å; V468-I528 HydrophobicContact CG1-CG2 4.47Å; V468-I528 HydrophobicContact CG2-CG1 4.4Å; V468-A529 PolarHBondContact O-N 3.31Å; V468-I546 CarbonylContact C-O 3.54Å; V468-I546 WeakPolarHBondContact CA-O 3.22Å; V468-I546 HydrophobicContact CB-CB 4.5Å; V468-I546 HydrophobicContact CG1-CB 4.24Å; V468-I546 HydrophobicContact CG1-CG2 4.24Å; V468-I546 HydrophobicContact CG2-CB 4.25Å; V468-I546 HydrophobicContact CG2-CD1 4.18Å
469	F	95.4	Very high	92	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	123.4	174.4	-73.4	-79.4	0	0	0	111.4	L467 A529 A533 E534 V545 I546 C548 R578 R581	L467-F469 HydrophobicContact CD2-CE2 3.71Å; L467-F469 HydrophobicContact CD2-CZ 3.7Å; L467-F469 HydrophobicContact CG-CE2 3.99Å; L467-F469 HydrophobicContact CG-CZ 4.24Å; F469-A529 CarbonylContact C-O 3.58Å; F469-A529 WeakPolarHBondContact CA-O 3.42Å; F469-A533 HydrophobicContact CE1-CB 3.86Å; F469-A533 HydrophobicContact CZ-CB 4.13Å; F469-E534 HydrophobicContact CE1-CB 3.91Å; F469-E534 HydrophobicContact CZ-CB 4.36Å; F469-V545 HydrophobicContact CD2-CG1 3.91Å; F469-V545 HydrophobicContact CE2-CG1 3.93Å; F469-I546 PolarHBondContact N-O 2.98Å; F469-C548 WeakPolarHBondContact O-CB 3.38Å; F469-C548 PolarHBondContact O-N 3.36Å; F469-C548 PolarHBondContact O-SG 3.29Å; F469-R578 HydrophobicContact CD1-CG 4.09Å; F469-R578 HydrophobicContact CD2-CB 3.76Å; F469-R578 HydrophobicContact CD2-CG 3.74Å; F469-R578 HydrophobicContact CE1-CG 3.98Å; F469-R578 HydrophobicContact CE2-CB 3.54Å; F469-R578 HydrophobicContact CE2-CG 3.63Å; F469-R578 HydrophobicContact CG-CB 4.46Å; F469-R578 HydrophobicContact CG-CG 3.97Å; F469-R578 HydrophobicContact CZ-CB 4.08Å; F469-R578 HydrophobicContact CZ-CG 3.75Å; F469-R581 HydrophobicContact CE2-CG 4.42Å; F469-R581 HydrophobicContact CZ-CG 4.11Å
470	V	94.1	Very high	91.9	Very high	1 Å²	1	31 Å²	31	1%	0.006	18%	0.176	C	C	.	.			trans	-129.7	156.9	176	-63.1	0	0	0	0	112.2	I450 V468 G472 D475 I476 V479 I528 A529 T530	I450-V470 HydrophobicContact CD1-CG1 3.71Å; V468-V470 HydrophobicContact CG1-CG1 4.16Å; V470-G472 PolarHBondContact O-N 2.74Å; V470-D475 HydrophobicContact CB-CB 3.82Å; V470-D475 HydrophobicContact CG1-CB 4.43Å; V470-D475 HydrophobicContact CG2-CB 4.16Å; V470-I476 HydrophobicContact CG2-CB 4.38Å; V470-I476 HydrophobicContact CG2-CD1 4.36Å; V470-I476 HydrophobicContact CG2-CG1 3.35Å; V470-V479 HydrophobicContact CG1-CG2 4.32Å; V470-I528 HydrophobicContact CG1-CG2 4.18Å; V470-I528 HydrophobicContact CG2-CG2 3.92Å; V470-A529 PolarHBondContact N-O 2.65Å; V470-T530 WeakPolarHBondContact O-CA 3.43Å
471	P	90.3	Very high	91.8	Very high	9 Å²	9	32.3 Å²	32.3	6%	0.058	17%	0.17	C	C	.	.	S	Bend	trans	-70.8	-31.9	-171.4	-22.7	35.9	0	0	0	115.1	R550 K552 A567	P471-R550 HydrophobicContact CG-CB 3.74Å; P471-K552 HydrophobicContact CB-CG 4Å; P471-K552 WeakPolarHBondContact O-CG 2.87Å; P471-A567 HydrophobicContact CB-CB 4.34Å
472	G	87.6	Confident	91.7	Very high	2 Å²	2	31.4 Å²	31.4	2%	0.021	17%	0.165	C	C	.	.	S	Bend	trans	-165.5	-177.9	-177.5	0	0	0	0	0	114.8	V470 V474 D475 I476	V470-G472 PolarHBondContact O-N 2.74Å; G472-V474 VanDerWaalsContact C-N 3.31Å; G472-V474 PolarHBondContact O-N 2.96Å; G472-D475 PolarHBondContact N-OD2 3Å; G472-D475 WeakPolarHBondContact O-CB 3.46Å; G472-D475 PolarHBondContact O-N 3.13Å; G472-D475 VanDerWaalsContact O-N 3.11Å; G472-I476 PolarHBondContact O-N 3.13Å; G472-I476 VanDerWaalsContact O-N 3.09Å
473	L	83.3	Confident	92.1	Very high	30 Å²	30	22 Å²	22	16%	0.157	12%	0.121	C	C	.	.	H	α-helix	trans	-60.4	-35.4	-173.2	-172.2	60.7	0	0	0	114.5	D475 I476 K477 H504 I507	L473-D475 VanDerWaalsContact C-N 3.32Å; L473-I476 HydrophobicContact CD1-CD1 4.41Å; L473-I476 PolarHBondContact O-N 3.48Å; L473-K477 WeakPolarHBondContact O-CG 3.43Å; L473-K477 PolarHBondContact O-N 2.7Å; L473-H504 HydrophobicContact CD1-CB 4.34Å; L473-H504 PolarHBondContact N-CD2 2.82Å; L473-H504 PolarHBondContact N-NE2 3.48Å; L473-I507 HydrophobicContact CD1-CD1 4.12Å
474	V	84.4	Confident	92.2	Very high	77 Å²	77	23.1 Å²	23.1	47%	0.467	11%	0.113	S	C	.	.	H	α-helix	trans	-62.1	-45.3	176.8	177.4	0	0	0	0	109.7	G472 I476 K477 D478	G472-V474 VanDerWaalsContact C-N 3.31Å; G472-V474 PolarHBondContact O-N 2.96Å; V474-I476 VanDerWaalsContact C-N 3.34Å; V474-I476 PolarHBondContact O-N 3.49Å; V474-K477 PolarHBondContact O-N 3.23Å; V474-D478 WeakPolarHBondContact O-CB 3.45Å; V474-D478 PolarHBondContact O-N 3.33Å
475	D	90.1	Very high	92.3	Very high	13 Å²	13	28.4 Å²	28.4	7%	0.07	13%	0.133	C	C	.	.	H	α-helix	trans	-63.9	-38.8	178	-46.4	-90.5	0	0	0	111.5	V470 G472 L473 D478 V479	V470-D475 HydrophobicContact CB-CB 3.82Å; V470-D475 HydrophobicContact CG1-CB 4.43Å; V470-D475 HydrophobicContact CG2-CB 4.16Å; G472-D475 PolarHBondContact N-OD2 3Å; G472-D475 WeakPolarHBondContact O-CB 3.46Å; G472-D475 PolarHBondContact O-N 3.13Å; G472-D475 VanDerWaalsContact O-N 3.11Å; L473-D475 VanDerWaalsContact C-N 3.32Å; D475-D478 PolarHBondContact O-N 2.72Å; D475-V479 VanDerWaalsContact O-CG2 3.27Å; D475-V479 WeakPolarHBondContact O-CG2 3.11Å; D475-V479 PolarHBondContact O-N 2.83Å
476	I	91	Very high	92.2	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-58.2	-51.2	173	-62.9	175.1	0	0	0	110.5	V470 G472 L473 V474 D478 V479 I480 P502 L503 H504 I528 T530	V470-I476 HydrophobicContact CG2-CB 4.38Å; V470-I476 HydrophobicContact CG2-CD1 4.36Å; V470-I476 HydrophobicContact CG2-CG1 3.35Å; G472-I476 PolarHBondContact O-N 3.13Å; G472-I476 VanDerWaalsContact O-N 3.09Å; L473-I476 HydrophobicContact CD1-CD1 4.41Å; L473-I476 PolarHBondContact O-N 3.48Å; V474-I476 VanDerWaalsContact C-N 3.34Å; V474-I476 PolarHBondContact O-N 3.49Å; I476-D478 VanDerWaalsContact C-N 3.34Å; I476-D478 PolarHBondContact O-N 3.22Å; I476-V479 PolarHBondContact O-N 3.37Å; I476-I480 HydrophobicContact CG2-CD1 3.88Å; I476-I480 VanDerWaalsContact O-CG1 3.28Å; I476-I480 WeakPolarHBondContact O-CG1 3.46Å; I476-I480 PolarHBondContact O-N 2.9Å; I476-I480 VanDerWaalsContact O-N 3.09Å; I476-P502 HydrophobicContact CG2-CB 3.58Å; I476-L503 VanDerWaalsContact CD1-O 3.25Å; I476-L503 WeakPolarHBondContact CD1-O 3.24Å; I476-H504 HydrophobicContact CD1-CB 3.89Å; I476-I528 HydrophobicContact CB-CG2 4.35Å; I476-I528 HydrophobicContact CG1-CG2 4.13Å; I476-I528 HydrophobicContact CG2-CB 4.42Å; I476-I528 HydrophobicContact CG2-CG2 4.21Å; I476-T530 HydrophobicContact CD1-CG2 4.12Å
477	K	89.8	Confident	92	Very high	75 Å²	75	34 Å²	34	33%	0.326	16%	0.162	S	C	.	.	H	α-helix	trans	-61.5	-43.6	-179.2	-72.6	-178.9	176.6	-174.4	0	111.3	L473 V474 I480 R481 V773	L473-K477 WeakPolarHBondContact O-CG 3.43Å; L473-K477 PolarHBondContact O-N 2.7Å; V474-K477 PolarHBondContact O-N 3.23Å; K477-I480 PolarHBondContact O-N 3.48Å; K477-R481 PolarHBondContact O-N 3.28Å; K477-V773 PolarHBondContact NZ-O 2.77Å; K477-V773 VanDerWaalsContact NZ-O 3.13Å
478	D	91.4	Very high	91.8	Very high	31 Å²	31	38 Å²	38	17%	0.166	19%	0.189	C	C	.	.	H	α-helix	trans	-63.7	-43.8	179.9	-74.3	-32	0	0	0	111.6	T447 V474 D475 I476 I480 R481 C482	T447-D478 HydrophobicContact CG2-CB 3.7Å; T447-D478 WeakPolarHBondContact CG2-O 3.46Å; V474-D478 WeakPolarHBondContact O-CB 3.45Å; V474-D478 PolarHBondContact O-N 3.33Å; D475-D478 PolarHBondContact O-N 2.72Å; I476-D478 VanDerWaalsContact C-N 3.34Å; I476-D478 PolarHBondContact O-N 3.22Å; D478-I480 PolarHBondContact O-N 2.76Å; D478-R481 PolarHBondContact O-N 3.17Å; D478-R481 IonicContact OD1-CZ 3.03Å; D478-R481 IonicContact OD1-NH1 3.52Å; D478-R481 IonicContact OD1-NH2 3.08Å; D478-R481 PolarHBondContact OD1-NH2 3.2Å; D478-C482 WeakPolarHBondContact O-CB 3.25Å; D478-C482 PolarHBondContact O-N 3.09Å
479	V	94	Very high	91.7	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-64.3	-42.8	178.3	173.8	0	0	0	0	110.6	T447 I450 V470 D475 I476 R481 C482 L483 I528	T447-V479 HydrophobicContact CG2-CB 4.45Å; T447-V479 HydrophobicContact CG2-CG2 4.03Å; I450-V479 HydrophobicContact CB-CG2 4.12Å; I450-V479 HydrophobicContact CD1-CG2 4.03Å; I450-V479 HydrophobicContact CG2-CB 4.45Å; I450-V479 HydrophobicContact CG2-CG1 3.67Å; I450-V479 HydrophobicContact CG2-CG2 3.81Å; V470-V479 HydrophobicContact CG1-CG2 4.32Å; D475-V479 VanDerWaalsContact O-CG2 3.27Å; D475-V479 WeakPolarHBondContact O-CG2 3.11Å; D475-V479 PolarHBondContact O-N 2.83Å; I476-V479 PolarHBondContact O-N 3.37Å; V479-R481 VanDerWaalsContact C-N 3.33Å; V479-R481 PolarHBondContact O-N 3.16Å; V479-C482 PolarHBondContact O-N 3.3Å; V479-L483 HydrophobicContact CG1-CD1 3.96Å; V479-L483 HydrophobicContact CG1-CG 4.25Å; V479-L483 VanDerWaalsContact O-CG 3.28Å; V479-L483 WeakPolarHBondContact O-CG 3.49Å; V479-L483 PolarHBondContact O-N 3.19Å; V479-I528 HydrophobicContact CB-CD1 4.23Å; V479-I528 HydrophobicContact CG1-CD1 3.66Å; V479-I528 HydrophobicContact CG1-CG1 4.43Å
480	I	92.9	Very high	91.6	Very high	22 Å²	22	51 Å²	51	11%	0.113	24%	0.238	C	C	.	.	H	α-helix	trans	-60.4	-43.8	176.7	-68	173	0	0	0	111.4	I476 K477 D478 R484 I500 P502 I528	I476-I480 HydrophobicContact CG2-CD1 3.88Å; I476-I480 VanDerWaalsContact O-CG1 3.28Å; I476-I480 WeakPolarHBondContact O-CG1 3.46Å; I476-I480 PolarHBondContact O-N 2.9Å; I476-I480 VanDerWaalsContact O-N 3.09Å; K477-I480 PolarHBondContact O-N 3.48Å; D478-I480 PolarHBondContact O-N 2.76Å; I480-R484 WeakPolarHBondContact O-CG 3.48Å; I480-R484 PolarHBondContact O-N 2.57Å; I480-R484 VanDerWaalsContact O-N 3.15Å; I480-I500 HydrophobicContact CD1-CG2 4.18Å; I480-I500 HydrophobicContact CG1-CG2 3.96Å; I480-I500 HydrophobicContact CG2-CD1 4.39Å; I480-P502 HydrophobicContact CD1-CB 3.95Å; I480-P502 HydrophobicContact CD1-CG 4.36Å; I480-I528 HydrophobicContact CD1-CD1 4.44Å; I480-I528 HydrophobicContact CG1-CD1 3.62Å
481	R	91.8	Very high	91.6	Very high	97 Å²	97	51.2 Å²	51.2	37%	0.366	24%	0.238	S	C	.	.	H	α-helix	trans	-59.6	-51.6	175.9	-179.9	-176.8	63.4	-147.6	-15.2	110.4	K477 D478 V479 L483 R484 E485	K477-R481 PolarHBondContact O-N 3.28Å; D478-R481 PolarHBondContact O-N 3.17Å; D478-R481 IonicContact OD1-CZ 3.03Å; D478-R481 IonicContact OD1-NH1 3.52Å; D478-R481 IonicContact OD1-NH2 3.08Å; D478-R481 PolarHBondContact OD1-NH2 3.2Å; V479-R481 VanDerWaalsContact C-N 3.33Å; V479-R481 PolarHBondContact O-N 3.16Å; R481-L483 PolarHBondContact O-N 3.06Å; R481-R484 PolarHBondContact O-N 2.86Å; R481-R484 VanDerWaalsContact O-N 3.17Å; R481-E485 WeakPolarHBondContact CD-OE1 2.97Å; R481-E485 HydrophobicContact CG-CG 4.33Å; R481-E485 WeakPolarHBondContact CG-OE1 3.32Å; R481-E485 IonicContact NE-OE1 3.49Å; R481-E485 WeakPolarHBondContact O-CG 3.23Å; R481-E485 PolarHBondContact O-N 3.06Å
482	C	93.4	Very high	91.5	Very high	7 Å²	7	53.8 Å²	53.8	5%	0.047	25%	0.252	C	S	.	.	H	α-helix	trans	-60.4	-42.6	-178.3	-171.7	0	0	0	0	112.3	T447 A451 D478 V479 R484 E485 L486	T447-C482 HydrophobicContact CG2-CB 3.67Å; A451-C482 HydrophobicContact CB-CB 3.9Å; A451-C482 WeakPolarHBondContact CB-SG 3.23Å; D478-C482 WeakPolarHBondContact O-CB 3.25Å; D478-C482 PolarHBondContact O-N 3.09Å; V479-C482 PolarHBondContact O-N 3.3Å; C482-R484 PolarHBondContact O-N 2.9Å; C482-E485 PolarHBondContact O-N 3.42Å; C482-L486 WeakPolarHBondContact O-CB 3.43Å; C482-L486 VanDerWaalsContact O-CG 3.25Å; C482-L486 WeakPolarHBondContact O-CG 3.47Å; C482-L486 PolarHBondContact O-N 2.77Å
483	L	95.2	Very high	91.2	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-59.4	-45.8	175.3	-70.9	171.8	0	0	0	112	A451 V454 V479 R481 L486 N487 Y491 I500 I528	A451-L483 HydrophobicContact CB-CD2 3.82Å; A451-L483 HydrophobicContact CB-CG 4.13Å; V454-L483 HydrophobicContact CB-CD2 3.83Å; V454-L483 HydrophobicContact CG1-CD1 4.46Å; V454-L483 HydrophobicContact CG1-CD2 3.75Å; V454-L483 HydrophobicContact CG2-CD2 4.45Å; V479-L483 HydrophobicContact CG1-CD1 3.96Å; V479-L483 HydrophobicContact CG1-CG 4.25Å; V479-L483 VanDerWaalsContact O-CG 3.28Å; V479-L483 WeakPolarHBondContact O-CG 3.49Å; V479-L483 PolarHBondContact O-N 3.19Å; R481-L483 PolarHBondContact O-N 3.06Å; L483-L486 PolarHBondContact O-N 3.17Å; L483-N487 PolarHBondContact O-N 3.46Å; L483-Y491 HydrophobicContact CB-CD1 4.38Å; L483-Y491 HydrophobicContact CB-CD2 4.1Å; L483-Y491 HydrophobicContact CB-CE1 4.19Å; L483-Y491 HydrophobicContact CB-CE2 3.97Å; L483-Y491 HydrophobicContact CB-CG 4.32Å; L483-Y491 HydrophobicContact CD1-CE1 4.31Å; L483-Y491 HydrophobicContact CD2-CE1 4.34Å; L483-Y491 HydrophobicContact CD2-CE2 4.25Å; L483-Y491 WeakPolarHBondContact O-CD2 3.28Å; L483-Y491 WeakPolarHBondContact O-CE2 3.06Å; L483-I500 HydrophobicContact CB-CD1 4.46Å; L483-I500 HydrophobicContact CD1-CD1 4.09Å; L483-I528 HydrophobicContact CD1-CD1 4.02Å
484	R	94	Very high	91.1	Very high	99 Å²	99	68.1 Å²	68.1	37%	0.374	31%	0.313	S	S	.	.	H	α-helix	trans	-66.9	-35.3	178.6	-74.2	175.9	172.1	157.9	0.8	112.6	I480 R481 C482 N487 P488 N493	I480-R484 WeakPolarHBondContact O-CG 3.48Å; I480-R484 PolarHBondContact O-N 2.57Å; I480-R484 VanDerWaalsContact O-N 3.15Å; R481-R484 PolarHBondContact O-N 2.86Å; R481-R484 VanDerWaalsContact O-N 3.17Å; C482-R484 PolarHBondContact O-N 2.9Å; R484-N487 CarbonylContact O-C 3.54Å; R484-P488 VanDerWaalsContact O-CA 3.22Å; R484-P488 WeakPolarHBondContact O-CA 3.45Å; R484-P488 VanDerWaalsContact O-CD 3.3Å; R484-P488 WeakPolarHBondContact O-CD 3.43Å; R484-P488 VanDerWaalsContact O-CG 3.24Å; R484-P488 WeakPolarHBondContact O-CG 3.2Å; R484-P488 VanDerWaalsContact O-N 3.14Å; R484-N493 PolarHBondContact NH2-ND2 2.74Å; R484-N493 PolarHBondContact NH2-OD1 2.94Å
485	E	93.4	Very high	91.1	Very high	129 Å²	129	73.6 Å²	73.6	60%	0.603	33%	0.327	S	S	*	.	H	α-helix	trans	-69.3	-41.3	174.6	-73.2	169.1	174.5	0	0	111.8	R481 C482	R481-E485 WeakPolarHBondContact CD-OE1 2.97Å; R481-E485 HydrophobicContact CG-CG 4.33Å; R481-E485 WeakPolarHBondContact CG-OE1 3.32Å; R481-E485 IonicContact NE-OE1 3.49Å; R481-E485 WeakPolarHBondContact O-CG 3.23Å; R481-E485 PolarHBondContact O-N 3.06Å; C482-E485 PolarHBondContact O-N 3.42Å
486	L	92.3	Very high	90.9	Very high	73 Å²	73	73.3 Å²	73.3	38%	0.382	33%	0.327	S	S	.	.	H	α-helix	trans	-65.7	-40.9	178.3	-74.2	170.5	0	0	0	112.5	A451 C482 L483	A451-L486 HydrophobicContact CB-CD1 3.6Å; C482-L486 WeakPolarHBondContact O-CB 3.43Å; C482-L486 VanDerWaalsContact O-CG 3.25Å; C482-L486 WeakPolarHBondContact O-CG 3.47Å; C482-L486 PolarHBondContact O-N 2.77Å; L483-L486 PolarHBondContact O-N 3.17Å
487	N	94.3	Very high	90.9	Very high	43 Å²	43	76 Å²	76	23%	0.23	35%	0.346	C	S	.	.			trans	-146.4	79.7	179.8	-161.9	-27.9	0	0	0	113.4	L483 R484 R489 R490 Y491	L483-N487 PolarHBondContact O-N 3.46Å; R484-N487 CarbonylContact O-C 3.54Å; N487-R489 VanDerWaalsContact C-N 3.28Å; N487-R489 PolarHBondContact O-N 2.96Å; N487-R489 VanDerWaalsContact O-N 3.17Å; N487-R490 HydrophobicContact CB-CB 4.05Å; N487-R490 VanDerWaalsContact CG-CB 3.46Å; N487-R490 PolarHBondContact O-N 3.29Å; N487-R490 VanDerWaalsContact O-N 3.17Å; N487-R490 WeakPolarHBondContact OD1-CB 3.48Å; N487-R490 PolarHBondContact OD1-N 3.24Å; N487-Y491 HydrophobicContact CB-CD2 4.13Å; N487-Y491 HydrophobicContact CB-CE2 4.04Å; N487-Y491 VanDerWaalsContact O-CD2 3.28Å; N487-Y491 WeakPolarHBondContact O-CD2 3.41Å; N487-Y491 PolarHBondContact O-N 2.85Å
488	P	93	Very high	91.2	Very high	86 Å²	86	72.8 Å²	72.8	56%	0.558	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-36.3	-174.3	-25	30.8	0	0	0	114.4	R484 D492	R484-P488 VanDerWaalsContact O-CA 3.22Å; R484-P488 WeakPolarHBondContact O-CA 3.45Å; R484-P488 VanDerWaalsContact O-CD 3.3Å; R484-P488 WeakPolarHBondContact O-CD 3.43Å; R484-P488 VanDerWaalsContact O-CG 3.24Å; R484-P488 WeakPolarHBondContact O-CG 3.2Å; R484-P488 VanDerWaalsContact O-N 3.14Å; P488-D492 PolarHBondContact O-N 3.13Å
489	R	93.5	Very high	91.2	Very high	224 Å²	224	77.1 Å²	77.1	85%	0.845	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-39.4	-178.8	-68.9	-175.3	179.2	175.7	0.1	112.3	N487	N487-R489 VanDerWaalsContact C-N 3.28Å; N487-R489 PolarHBondContact O-N 2.96Å; N487-R489 VanDerWaalsContact O-N 3.17Å
490	R	94.4	Very high	91	Very high	51 Å²	51	78.4 Å²	78.4	19%	0.192	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-38.2	-177.3	179.3	179.6	-73.9	-171.7	-5.6	112.4	E455 N487 G496 S497 V498	E455-R490 WeakPolarHBondContact OE1-CD 3.36Å; E455-R490 IonicContact OE1-CZ 2.71Å; E455-R490 IonicContact OE1-NE 3.73Å; E455-R490 IonicContact OE1-NH1 2.64Å; E455-R490 PolarHBondContact OE1-NH1 2.99Å; E455-R490 IonicContact OE2-CZ 3.78Å; E455-R490 IonicContact OE2-NH1 2.9Å; E455-R490 PolarHBondContact OE2-NH1 3.22Å; N487-R490 HydrophobicContact CB-CB 4.05Å; N487-R490 VanDerWaalsContact CG-CB 3.46Å; N487-R490 PolarHBondContact O-N 3.29Å; N487-R490 VanDerWaalsContact O-N 3.17Å; N487-R490 WeakPolarHBondContact OD1-CB 3.48Å; N487-R490 PolarHBondContact OD1-N 3.24Å; R490-G496 CarbonylContact O-C 3.42Å; R490-G496 WeakPolarHBondContact O-CA 3.49Å; R490-S497 PolarHBondContact O-N 2.79Å; R490-S497 VanDerWaalsContact O-N 3.13Å; R490-V498 HydrophobicContact CG-CB 4.16Å; R490-V498 HydrophobicContact CG-CG2 3.43Å; R490-V498 VanDerWaalsContact CG-CG2 3.43Å; R490-V498 PolarHBondContact O-N 2.86Å; R490-V498 VanDerWaalsContact O-N 3.11Å
491	Y	93	Very high	90.9	Very high	4 Å²	4	77.9 Å²	77.9	2%	0.016	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	15.9	-176.1	-60	-75.7	0	0	0	113.9	E455 L458 L483 N487 V498 I500	E455-Y491 WeakPolarHBondContact OE1-CE2 3.16Å; E455-Y491 VanDerWaalsContact OE1-CZ 3.23Å; E455-Y491 PolarHBondContact OE1-OH 3.14Å; L458-Y491 HydrophobicContact CD1-CE1 4.26Å; L458-Y491 WeakPolarHBondContact CD1-OH 3.4Å; L483-Y491 HydrophobicContact CB-CD1 4.38Å; L483-Y491 HydrophobicContact CB-CD2 4.1Å; L483-Y491 HydrophobicContact CB-CE1 4.19Å; L483-Y491 HydrophobicContact CB-CE2 3.97Å; L483-Y491 HydrophobicContact CB-CG 4.32Å; L483-Y491 HydrophobicContact CD1-CE1 4.31Å; L483-Y491 HydrophobicContact CD2-CE1 4.34Å; L483-Y491 HydrophobicContact CD2-CE2 4.25Å; L483-Y491 WeakPolarHBondContact O-CD2 3.28Å; L483-Y491 WeakPolarHBondContact O-CE2 3.06Å; N487-Y491 HydrophobicContact CB-CD2 4.13Å; N487-Y491 HydrophobicContact CB-CE2 4.04Å; N487-Y491 VanDerWaalsContact O-CD2 3.28Å; N487-Y491 WeakPolarHBondContact O-CD2 3.41Å; N487-Y491 PolarHBondContact O-N 2.85Å; Y491-V498 HydrophobicContact CD1-CB 3.8Å; Y491-V498 HydrophobicContact CD1-CG1 3.81Å; Y491-V498 HydrophobicContact CE1-CB 3.81Å; Y491-V498 HydrophobicContact CE1-CG1 3.54Å; Y491-V498 HydrophobicContact CE1-CG2 4.22Å; Y491-I500 HydrophobicContact CD1-CD1 3.63Å; Y491-I500 HydrophobicContact CD1-CG1 3.88Å; Y491-I500 HydrophobicContact CE1-CD1 4.28Å; Y491-I500 HydrophobicContact CE1-CG1 4.39Å; Y491-I500 HydrophobicContact CG-CD1 4.26Å
492	D	88.9	Confident	90.8	Very high	63 Å²	63	75.2 Å²	75.2	34%	0.337	35%	0.345	S	S	.	.			trans	-63.1	135	173.1	-177.8	-92	0	0	0	110.4	P488 R494 Y495 G496	P488-D492 PolarHBondContact O-N 3.13Å; D492-R494 VanDerWaalsContact C-N 3.27Å; D492-R494 PolarHBondContact O-N 3.37Å; D492-R494 WeakPolarHBondContact OD1-CA 3.37Å; D492-R494 WeakPolarHBondContact OD1-CB 3.47Å; D492-R494 PolarHBondContact OD1-N 3.33Å; D492-Y495 PolarHBondContact OD1-N 3.12Å; D492-G496 WeakPolarHBondContact O-CA 3.47Å; D492-G496 PolarHBondContact O-N 3.39Å
493	N	80.8	Confident	90.4	Very high	133 Å²	133	75.2 Å²	75.2	71%	0.711	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-22.2	-174.2	-65.8	-30.3	0	0	0	113.6	R484	R484-N493 PolarHBondContact NH2-ND2 2.74Å; R484-N493 PolarHBondContact NH2-OD1 2.94Å
494	R	81.7	Confident	89.8	Confident	200 Å²	200	76.4 Å²	76.4	76%	0.755	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-41	-176.3	-72.9	-170.8	-82.1	-153.4	-2.8	112.4	D492	D492-R494 VanDerWaalsContact C-N 3.27Å; D492-R494 PolarHBondContact O-N 3.37Å; D492-R494 WeakPolarHBondContact OD1-CA 3.37Å; D492-R494 WeakPolarHBondContact OD1-CB 3.47Å; D492-R494 PolarHBondContact OD1-N 3.33Å
495	Y	83.5	Confident	88.5	Confident	193 Å²	193	76.1 Å²	76.1	76%	0.757	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.3	0.1	-171.3	-50.1	-74	0	0	0	113.7	D492	D492-Y495 PolarHBondContact OD1-N 3.12Å
496	G	87	Confident	86.9	Confident	7 Å²	7	74.7 Å²	74.7	7%	0.072	35%	0.352	C	S	.	.			trans	-65.1	144.9	-178.1	0	0	0	0	0	112.8	R490 D492 V498	R490-G496 CarbonylContact O-C 3.42Å; R490-G496 WeakPolarHBondContact O-CA 3.49Å; D492-G496 WeakPolarHBondContact O-CA 3.47Å; D492-G496 PolarHBondContact O-N 3.39Å; G496-V498 PolarHBondContact O-N 3.47Å
497	S	91.7	Very high	85.5	Confident	59 Å²	59	73.2 Å²	73.2	41%	0.413	35%	0.345	S	S	.	.	S	Bend	trans	-78.9	-7	171.3	58.7	0	0	0	0	112.7	R490 Q523 R524	R490-S497 PolarHBondContact O-N 2.79Å; R490-S497 VanDerWaalsContact O-N 3.13Å; S497-Q523 CarbonylContact O-C 3.2Å; S497-Q523 WeakPolarHBondContact O-CA 3.39Å; S497-R524 PolarHBondContact O-N 3.34Å
498	V	94.4	Very high	83.6	Confident	7 Å²	7	72.8 Å²	72.8	4%	0.042	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	125.8	178.2	-175.9	0	0	0	0	110.9	L458 R490 Y491 G496 R524 V526	L458-V498 HydrophobicContact CD1-CG1 4.45Å; L458-V498 HydrophobicContact CD1-CG2 3.9Å; L458-V498 HydrophobicContact CD2-CG2 4.02Å; R490-V498 HydrophobicContact CG-CB 4.16Å; R490-V498 HydrophobicContact CG-CG2 3.43Å; R490-V498 VanDerWaalsContact CG-CG2 3.43Å; R490-V498 PolarHBondContact O-N 2.86Å; R490-V498 VanDerWaalsContact O-N 3.11Å; Y491-V498 HydrophobicContact CD1-CB 3.8Å; Y491-V498 HydrophobicContact CD1-CG1 3.81Å; Y491-V498 HydrophobicContact CE1-CB 3.81Å; Y491-V498 HydrophobicContact CE1-CG1 3.54Å; Y491-V498 HydrophobicContact CE1-CG2 4.22Å; G496-V498 PolarHBondContact O-N 3.47Å; V498-R524 CarbonylContact C-O 3.54Å; V498-R524 WeakPolarHBondContact CA-O 3.27Å; V498-R524 HydrophobicContact CG2-CB 4.19Å; V498-V526 HydrophobicContact CG1-CB 4.16Å; V498-V526 HydrophobicContact CG1-CG2 3.46Å; V498-V526 VanDerWaalsContact CG1-CG2 3.46Å
499	R	91.1	Very high	81.8	Confident	121 Å²	121	70 Å²	70	46%	0.457	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	120.9	174.8	-167.4	162.1	175.6	154.2	-1.4	110.5	Y501 R524 V526	R499-Y501 HydrophobicContact CB-CE2 3.96Å; R499-Y501 VanDerWaalsContact CD-OH 3.27Å; R499-Y501 WeakPolarHBondContact CD-OH 3.02Å; R499-Y501 HydrophobicContact CG-CD2 4.38Å; R499-Y501 HydrophobicContact CG-CE2 3.65Å; R499-Y501 PolarHBondContact NE-OH 3.37Å; R499-R524 PolarHBondContact N-O 3.3Å; R499-V526 PolarHBondContact O-N 3.01Å
500	I	91.5	Very high	79.8	Confident	28 Å²	28	63.5 Å²	63.5	14%	0.144	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	132.3	-180	-52.1	171.9	0	0	0	110.5	I480 L483 Y491 V526 I528	I480-I500 HydrophobicContact CD1-CG2 4.18Å; I480-I500 HydrophobicContact CG1-CG2 3.96Å; I480-I500 HydrophobicContact CG2-CD1 4.39Å; L483-I500 HydrophobicContact CB-CD1 4.46Å; L483-I500 HydrophobicContact CD1-CD1 4.09Å; Y491-I500 HydrophobicContact CD1-CD1 3.63Å; Y491-I500 HydrophobicContact CD1-CG1 3.88Å; Y491-I500 HydrophobicContact CE1-CD1 4.28Å; Y491-I500 HydrophobicContact CE1-CG1 4.39Å; Y491-I500 HydrophobicContact CG-CD1 4.26Å; I500-V526 CarbonylContact C-O 3.57Å; I500-V526 VanDerWaalsContact CA-O 3.25Å; I500-V526 WeakPolarHBondContact CA-O 3.16Å; I500-I528 HydrophobicContact CG2-CD1 3.72Å; I500-I528 HydrophobicContact CG2-CG1 4.26Å
501	Y	90.6	Very high	77.6	Confident	11 Å²	11	69.6 Å²	69.6	4%	0.043	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	104.8	176.6	-63.8	-92.4	0	0	0	110.5	R499 D512 S514 L515 K525 V526 V527 I528	R499-Y501 HydrophobicContact CB-CE2 3.96Å; R499-Y501 VanDerWaalsContact CD-OH 3.27Å; R499-Y501 WeakPolarHBondContact CD-OH 3.02Å; R499-Y501 HydrophobicContact CG-CD2 4.38Å; R499-Y501 HydrophobicContact CG-CE2 3.65Å; R499-Y501 PolarHBondContact NE-OH 3.37Å; Y501-D512 HydrophobicContact CD1-CB 4.1Å; Y501-D512 HydrophobicContact CE1-CB 3.97Å; Y501-S514 PolarHBondContact OH-OG 3.27Å; Y501-L515 HydrophobicContact CD1-CB 4.3Å; Y501-L515 HydrophobicContact CD1-CD1 4.07Å; Y501-L515 HydrophobicContact CD2-CD1 4.49Å; Y501-L515 HydrophobicContact CE1-CB 4.45Å; Y501-L515 HydrophobicContact CG-CD1 3.87Å; Y501-K525 HydrophobicContact CD2-CD 4.43Å; Y501-K525 HydrophobicContact CD2-CG 3.71Å; Y501-K525 HydrophobicContact CE2-CB 4.36Å; Y501-K525 HydrophobicContact CE2-CD 4.32Å; Y501-K525 HydrophobicContact CE2-CG 3.71Å; Y501-V526 PolarHBondContact N-O 3.14Å; Y501-V527 CarbonylContact O-C 3.45Å; Y501-V527 VanDerWaalsContact O-CA 3.32Å; Y501-V527 WeakPolarHBondContact O-CA 3.3Å; Y501-I528 PolarHBondContact O-N 3.07Å
502	P	88.5	Confident	76.2	Confident	42 Å²	42	72.1 Å²	72.1	27%	0.273	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	127.7	173.5	30.1	-32	0	0	0	111	I476 I480 I507 I528	I476-P502 HydrophobicContact CG2-CB 3.58Å; I480-P502 HydrophobicContact CD1-CB 3.95Å; I480-P502 HydrophobicContact CD1-CG 4.36Å; P502-I507 HydrophobicContact CB-CD1 3.72Å; P502-I507 HydrophobicContact CG-CD1 4.14Å; P502-I528 CarbonylContact C-O 3.56Å; P502-I528 WeakPolarHBondContact CA-O 3.4Å
503	L	86	Confident	75.2	Confident	6 Å²	6	78.6 Å²	78.6	3%	0.031	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	123.2	175.6	-63.1	-176.8	0	0	0	111.6	I476 T509 L515 V527 I528 A529 T530 I532 I537 I539	I476-L503 VanDerWaalsContact CD1-O 3.25Å; I476-L503 WeakPolarHBondContact CD1-O 3.24Å; L503-T509 HydrophobicContact CD2-CG2 4.13Å; L503-L515 HydrophobicContact CD1-CD1 4.36Å; L503-L515 HydrophobicContact CD1-CD2 4.03Å; L503-L515 HydrophobicContact CD2-CD2 3.69Å; L503-L515 HydrophobicContact CG-CD2 4.42Å; L503-V527 HydrophobicContact CD1-CG1 3.36Å; L503-V527 HydrophobicContact CG-CG1 3.7Å; L503-I528 PolarHBondContact N-O 2.87Å; L503-A529 HydrophobicContact CB-CB 3.77Å; L503-A529 HydrophobicContact CD1-CB 4.35Å; L503-A529 VanDerWaalsContact O-CA 3.25Å; L503-A529 WeakPolarHBondContact O-CA 3.28Å; L503-T530 PolarHBondContact O-N 3.28Å; L503-T530 VanDerWaalsContact O-N 3.12Å; L503-I532 HydrophobicContact CB-CG2 4.01Å; L503-I537 HydrophobicContact CD1-CD1 4.24Å; L503-I539 HydrophobicContact CD1-CD1 4.35Å
504	H	81.6	Confident	74.9	Confident	25 Å²	25	73.9 Å²	73.9	12%	0.116	35%	0.348	C	S	.	.			trans	-149.5	155	174.7	-169	-72.7	0	0	0	107.5	L473 I476 R506 I507 T530	L473-H504 HydrophobicContact CD1-CB 4.34Å; L473-H504 PolarHBondContact N-CD2 2.82Å; L473-H504 PolarHBondContact N-NE2 3.48Å; I476-H504 HydrophobicContact CD1-CB 3.89Å; H504-R506 WeakPolarHBondContact ND1-CB 3.23Å; H504-R506 PolarHBondContact ND1-N 3.19Å; H504-R506 VanDerWaalsContact ND1-N 3.16Å; H504-R506 PolarHBondContact O-N 2.74Å; H504-I507 HydrophobicContact CB-CD1 3.92Å; H504-I507 HydrophobicContact CB-CG1 4.03Å; H504-I507 PolarHBondContact O-N 2.93Å; H504-T530 WeakPolarHBondContact CD2-CG2 3.2Å
505	S	67.5	Low	74.9	Confident	93 Å²	93	64.4 Å²	64.4	65%	0.65	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-19.9	171	57.6	0	0	0	0	114.8
506	R	60.1	Low	74.7	Confident	99 Å²	99	59.2 Å²	59.2	37%	0.374	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-26.1	-178.7	-80.2	-171.5	114.5	168.8	-3.7	111.3	H504 R768	H504-R506 WeakPolarHBondContact ND1-CB 3.23Å; H504-R506 PolarHBondContact ND1-N 3.19Å; H504-R506 VanDerWaalsContact ND1-N 3.16Å; H504-R506 PolarHBondContact O-N 2.74Å; R506-R768 VanDerWaalsContact C-NH1 3.26Å; R506-R768 HydrophobicContact CG-CG 4.18Å; R506-R768 PolarHBondContact O-NH1 3.01Å
507	I	62.7	Low	74.5	Confident	43 Å²	43	64.1 Å²	64.1	22%	0.221	32%	0.315	C	S	.	.	S	Bend	trans	-91.2	121.2	-175.8	-60	170.6	0	0	0	109	L473 P502 H504 T509	L473-I507 HydrophobicContact CD1-CD1 4.12Å; P502-I507 HydrophobicContact CB-CD1 3.72Å; P502-I507 HydrophobicContact CG-CD1 4.14Å; H504-I507 HydrophobicContact CB-CD1 3.92Å; H504-I507 HydrophobicContact CB-CG1 4.03Å; H504-I507 PolarHBondContact O-N 2.93Å; I507-T509 PolarHBondContact O-N 3.29Å
508	P	54.9	Low	74.1	Confident	33 Å²	33	65.9 Å²	65.9	21%	0.214	33%	0.325	C	S	.	.			trans	-63.5	116.9	177.8	-20.5	31.9	0	0	0	111.9	S510 R827	P508-S510 VanDerWaalsContact C-N 3.26Å; P508-S510 PolarHBondContact O-N 3.49Å; P508-R827 HydrophobicContact CB-CG 4.42Å; P508-R827 HydrophobicContact CG-CG 3.95Å
509	T	55.7	Low	73.5	Confident	29 Å²	29	67.2 Å²	67.2	18%	0.178	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-72.7	-17.2	178.9	-32.2	0	0	0	0	113.2	L503 I507 R511 L515 F516 I537	L503-T509 HydrophobicContact CD2-CG2 4.13Å; I507-T509 PolarHBondContact O-N 3.29Å; T509-R511 PolarHBondContact O-N 3.23Å; T509-L515 HydrophobicContact CG2-CD2 3.65Å; T509-F516 HydrophobicContact CG2-CE2 4.02Å; T509-F516 HydrophobicContact CG2-CZ 3.82Å; T509-I537 HydrophobicContact CG2-CD1 4.16Å
510	S	50.9	Low	73.1	Confident	86 Å²	86	65.4 Å²	65.4	60%	0.601	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-68.1	-16.8	-174.5	55.2	0	0	0	0	114.8	P508	P508-S510 VanDerWaalsContact C-N 3.26Å; P508-S510 PolarHBondContact O-N 3.49Å
511	R	48.8	Very low	72.5	Confident	179 Å²	179	73.7 Å²	73.7	68%	0.675	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-73	-33.4	180	-88.2	-172.3	174.1	-177.7	-0.7	113.8	T509	T509-R511 PolarHBondContact O-N 3.23Å
512	D	63.3	Low	72.1	Confident	58 Å²	58	80.7 Å²	80.7	31%	0.31	41%	0.412	S	S	.	.			trans	-110.4	73.9	-170	-66.7	-39.8	0	0	0	110.3	Y501 S514 L515	Y501-D512 HydrophobicContact CD1-CB 4.1Å; Y501-D512 HydrophobicContact CE1-CB 3.97Å; D512-S514 PolarHBondContact O-N 2.77Å; D512-S514 VanDerWaalsContact O-N 3.13Å; D512-L515 HydrophobicContact CB-CB 4.03Å; D512-L515 WeakPolarHBondContact O-CB 3.47Å; D512-L515 PolarHBondContact O-N 3.19Å
513	R	67.3	Low	72	Confident	199 Å²	199	82.2 Å²	82.2	75%	0.751	42%	0.415	S	S	*	.	H	α-helix	trans	-51.8	-33.2	167	-74.7	-173.5	178.3	-178.5	-0.7	111.1	L515 F516 E517	R513-L515 PolarHBondContact O-N 2.67Å; R513-L515 VanDerWaalsContact O-N 3.15Å; R513-F516 PolarHBondContact O-N 3.11Å; R513-E517 PolarHBondContact O-N 3.42Å
514	S	75	Confident	72.4	Confident	34 Å²	34	83.2 Å²	83.2	24%	0.238	42%	0.419	C	S	.	.	H	α-helix	trans	-61.1	-17.7	173.5	69.1	0	0	0	0	114.8	Y501 D512 F516	Y501-S514 PolarHBondContact OH-OG 3.27Å; D512-S514 PolarHBondContact O-N 2.77Å; D512-S514 VanDerWaalsContact O-N 3.13Å; S514-F516 VanDerWaalsContact C-N 3.27Å
515	L	80.1	Confident	73	Confident	1 Å²	1	82.1 Å²	82.1	1%	0.005	41%	0.414	C	S	.	.	H	α-helix	trans	-61.8	-40.3	170.2	176.9	69.2	0	0	0	110.8	Y501 L503 T509 D512 R513 K525 V527 I539	Y501-L515 HydrophobicContact CD1-CB 4.3Å; Y501-L515 HydrophobicContact CD1-CD1 4.07Å; Y501-L515 HydrophobicContact CD2-CD1 4.49Å; Y501-L515 HydrophobicContact CE1-CB 4.45Å; Y501-L515 HydrophobicContact CG-CD1 3.87Å; L503-L515 HydrophobicContact CD1-CD1 4.36Å; L503-L515 HydrophobicContact CD1-CD2 4.03Å; L503-L515 HydrophobicContact CD2-CD2 3.69Å; L503-L515 HydrophobicContact CG-CD2 4.42Å; T509-L515 HydrophobicContact CG2-CD2 3.65Å; D512-L515 HydrophobicContact CB-CB 4.03Å; D512-L515 WeakPolarHBondContact O-CB 3.47Å; D512-L515 PolarHBondContact O-N 3.19Å; R513-L515 PolarHBondContact O-N 2.67Å; R513-L515 VanDerWaalsContact O-N 3.15Å; L515-K525 PolarHBondContact O-NZ 3.08Å; L515-V527 HydrophobicContact CD1-CG1 4.13Å; L515-V527 HydrophobicContact CD1-CG2 3.78Å; L515-I539 HydrophobicContact CD1-CD1 4.29Å
516	F	81.1	Confident	74.3	Confident	83 Å²	83	77.7 Å²	77.7	36%	0.364	38%	0.383	S	S	.	.	H	α-helix	trans	-89.3	-23.9	-176.7	-58.6	-79.9	0	0	0	112.5	T509 R513 S514 I537	T509-F516 HydrophobicContact CG2-CE2 4.02Å; T509-F516 HydrophobicContact CG2-CZ 3.82Å; R513-F516 PolarHBondContact O-N 3.11Å; S514-F516 VanDerWaalsContact C-N 3.27Å; F516-I537 HydrophobicContact CE1-CG2 3.69Å; F516-I537 HydrophobicContact CZ-CG2 4.18Å
517	E	81.8	Confident	75.9	Confident	110 Å²	110	73 Å²	73	51%	0.514	37%	0.365	S	S	.	.	S	Bend	trans	-76	148	174.4	-64.6	168.5	-175.7	0	0	111.4	R513 K525	R513-E517 PolarHBondContact O-N 3.42Å; E517-K525 PolarHBondContact O-NZ 3.15Å
518	P	82.4	Confident	77.5	Confident	96 Å²	96	70.9 Å²	70.9	62%	0.623	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-55.8	143	171.3	-24.2	34.1	0	0	0	112
519	S	83.6	Confident	79.3	Confident	36 Å²	36	69.3 Å²	69.3	25%	0.252	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-59.1	138.6	178.1	-54	0	0	0	0	111.7	Q523 K525 D541	S519-Q523 WeakPolarHBondContact CB-O 3.4Å; S519-K525 WeakPolarHBondContact OG-CB 3.2Å; S519-D541 PolarHBondContact N-OD2 2.99Å; S519-D541 PolarHBondContact OG-OD2 2.67Å; S519-D541 VanDerWaalsContact OG-OD2 3.11Å
520	P	81.8	Confident	80.9	Confident	82 Å²	82	68.1 Å²	68.1	53%	0.532	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-56.3	155.3	175.2	-24.5	33.2	0	0	0	112.8	N522 Q523	P520-N522 PolarHBondContact O-N 2.9Å; P520-Q523 PolarHBondContact O-N 2.58Å
521	K	78.7	Confident	82.6	Confident	202 Å²	202	66.8 Å²	66.8	88%	0.878	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	127.7	173.1	-67.6	-175.4	-180	-179.3	0	109.1
522	N	82.2	Confident	84.1	Confident	159 Å²	159	59.3 Å²	59.3	85%	0.85	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	6.1	-177.2	-47.9	-34.3	0	0	0	117.5	P520	P520-N522 PolarHBondContact O-N 2.9Å
523	Q	87.7	Confident	85.1	Confident	74 Å²	74	56.6 Å²	56.6	35%	0.346	28%	0.282	S	S	.	.			trans	-114.4	137.3	170.1	-72	-170.3	-10.7	0	0	111.8	S497 S519 P520	S497-Q523 CarbonylContact O-C 3.2Å; S497-Q523 WeakPolarHBondContact O-CA 3.39Å; S519-Q523 WeakPolarHBondContact CB-O 3.4Å; P520-Q523 PolarHBondContact O-N 2.58Å
524	R	93.3	Very high	85.8	Confident	26 Å²	26	47.3 Å²	47.3	10%	0.098	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	141.2	169.9	-65.2	-70.4	-65.4	-90.5	6.4	109.8	L458 T461 S463 G464 S497 V498 R499	L458-R524 HydrophobicContact CD2-CB 3.7Å; L458-R524 HydrophobicContact CD2-CG 3.79Å; T461-R524 PolarHBondContact O-NH1 2.82Å; T461-R524 PolarHBondContact OG1-NH1 3.05Å; T461-R524 PolarHBondContact OG1-NH2 3.05Å; S463-R524 PolarHBondContact O-NH2 3.09Å; S463-R524 VanDerWaalsContact O-NH2 3.15Å; G464-R524 VanDerWaalsContact O-CZ 3.29Å; G464-R524 PolarHBondContact O-NE 3.07Å; G464-R524 PolarHBondContact O-NH2 3.14Å; S497-R524 PolarHBondContact O-N 3.34Å; V498-R524 CarbonylContact C-O 3.54Å; V498-R524 WeakPolarHBondContact CA-O 3.27Å; V498-R524 HydrophobicContact CG2-CB 4.19Å; R499-R524 PolarHBondContact N-O 3.3Å
525	K	93.5	Very high	85.4	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.009	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	129.4	174.5	172.5	-172.6	-55.5	170.9	0	110	A465 I466 Y501 L515 E517 S519 V527 I539 D541	A465-K525 WeakPolarHBondContact CA-O 3.2Å; A465-K525 HydrophobicContact CB-CB 3.86Å; A465-K525 HydrophobicContact CB-CD 3.85Å; A465-K525 HydrophobicContact CB-CG 4Å; I466-K525 PolarHBondContact N-O 3.36Å; Y501-K525 HydrophobicContact CD2-CD 4.43Å; Y501-K525 HydrophobicContact CD2-CG 3.71Å; Y501-K525 HydrophobicContact CE2-CB 4.36Å; Y501-K525 HydrophobicContact CE2-CD 4.32Å; Y501-K525 HydrophobicContact CE2-CG 3.71Å; L515-K525 PolarHBondContact O-NZ 3.08Å; E517-K525 PolarHBondContact O-NZ 3.15Å; S519-K525 WeakPolarHBondContact OG-CB 3.2Å; K525-V527 HydrophobicContact CD-CG2 3.87Å; K525-V527 HydrophobicContact CG-CG2 3.74Å; K525-I539 HydrophobicContact CD-CG2 4.4Å; K525-D541 WeakPolarHBondContact CE-OD2 3.33Å; K525-D541 VanDerWaalsContact NZ-CG 3.29Å; K525-D541 IonicContact NZ-OD1 3.52Å; K525-D541 PolarHBondContact NZ-OD1 3.35Å; K525-D541 IonicContact NZ-OD2 3.63Å; K525-D541 PolarHBondContact NZ-OD2 3.1Å
526	V	95.6	Very high	84.5	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	115.2	170.8	177.4	0	0	0	0	108.3	V454 L458 I466 V468 V498 R499 I500 Y501 I528	V454-V526 HydrophobicContact CG1-CG1 4.21Å; V454-V526 HydrophobicContact CG1-CG2 4.07Å; L458-V526 HydrophobicContact CD1-CG2 4.48Å; I466-V526 HydrophobicContact CB-CG2 4.29Å; I466-V526 HydrophobicContact CD1-CG2 4.19Å; I466-V526 CarbonylContact O-C 3.43Å; I466-V526 WeakPolarHBondContact O-CA 3.43Å; V468-V526 HydrophobicContact CG2-CG1 4.41Å; V498-V526 HydrophobicContact CG1-CB 4.16Å; V498-V526 HydrophobicContact CG1-CG2 3.46Å; V498-V526 VanDerWaalsContact CG1-CG2 3.46Å; R499-V526 PolarHBondContact O-N 3.01Å; I500-V526 CarbonylContact C-O 3.57Å; I500-V526 VanDerWaalsContact CA-O 3.25Å; I500-V526 WeakPolarHBondContact CA-O 3.16Å; Y501-V526 PolarHBondContact N-O 3.14Å; V526-I528 HydrophobicContact CG1-CG1 4.14Å
527	V	94.5	Very high	83.9	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	123.2	179.2	-173.3	0	0	0	0	108.4	I466 L467 V468 Y501 L503 L515 K525 I539	I466-V527 PolarHBondContact O-N 3.04Å; L467-V527 CarbonylContact C-O 3.56Å; L467-V527 WeakPolarHBondContact CA-O 3.23Å; L467-V527 HydrophobicContact CD1-CB 3.83Å; L467-V527 HydrophobicContact CD1-CG1 3.75Å; V468-V527 PolarHBondContact N-O 3.07Å; Y501-V527 CarbonylContact O-C 3.45Å; Y501-V527 VanDerWaalsContact O-CA 3.32Å; Y501-V527 WeakPolarHBondContact O-CA 3.3Å; L503-V527 HydrophobicContact CD1-CG1 3.36Å; L503-V527 HydrophobicContact CG-CG1 3.7Å; L515-V527 HydrophobicContact CD1-CG1 4.13Å; L515-V527 HydrophobicContact CD1-CG2 3.78Å; K525-V527 HydrophobicContact CD-CG2 3.87Å; K525-V527 HydrophobicContact CG-CG2 3.74Å; V527-I539 HydrophobicContact CB-CD1 4.31Å; V527-I539 HydrophobicContact CG1-CD1 3.95Å; V527-I539 HydrophobicContact CG2-CD1 4.04Å
528	I	94.9	Very high	83.4	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	109.5	179.2	-53.3	167	0	0	0	107.7	V468 V470 I476 V479 I480 L483 I500 Y501 P502 L503 V526	V468-I528 HydrophobicContact CB-CG1 4.27Å; V468-I528 HydrophobicContact CB-CG2 4.37Å; V468-I528 HydrophobicContact CG1-CG2 4.47Å; V468-I528 HydrophobicContact CG2-CG1 4.4Å; V470-I528 HydrophobicContact CG1-CG2 4.18Å; V470-I528 HydrophobicContact CG2-CG2 3.92Å; I476-I528 HydrophobicContact CB-CG2 4.35Å; I476-I528 HydrophobicContact CG1-CG2 4.13Å; I476-I528 HydrophobicContact CG2-CB 4.42Å; I476-I528 HydrophobicContact CG2-CG2 4.21Å; V479-I528 HydrophobicContact CB-CD1 4.23Å; V479-I528 HydrophobicContact CG1-CD1 3.66Å; V479-I528 HydrophobicContact CG1-CG1 4.43Å; I480-I528 HydrophobicContact CD1-CD1 4.44Å; I480-I528 HydrophobicContact CG1-CD1 3.62Å; L483-I528 HydrophobicContact CD1-CD1 4.02Å; I500-I528 HydrophobicContact CG2-CD1 3.72Å; I500-I528 HydrophobicContact CG2-CG1 4.26Å; Y501-I528 PolarHBondContact O-N 3.07Å; P502-I528 CarbonylContact C-O 3.56Å; P502-I528 WeakPolarHBondContact CA-O 3.4Å; L503-I528 PolarHBondContact N-O 2.87Å; V526-I528 HydrophobicContact CG1-CG1 4.14Å
529	A	92.7	Very high	83.3	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	152.7	-164.7	0	0	0	0	0	113.4	L467 V468 F469 V470 L503 A533	L467-A529 HydrophobicContact CD1-CB 3.93Å; V468-A529 PolarHBondContact O-N 3.31Å; F469-A529 CarbonylContact C-O 3.58Å; F469-A529 WeakPolarHBondContact CA-O 3.42Å; V470-A529 PolarHBondContact N-O 2.65Å; L503-A529 HydrophobicContact CB-CB 3.77Å; L503-A529 HydrophobicContact CD1-CB 4.35Å; L503-A529 VanDerWaalsContact O-CA 3.25Å; L503-A529 WeakPolarHBondContact O-CA 3.28Å; A529-A533 HydrophobicContact CB-CB 3.48Å; A529-A533 VanDerWaalsContact CB-CB 3.48Å
530	T	90.4	Very high	83.1	Confident	4 Å²	4	41.1 Å²	41.1	3%	0.025	21%	0.211	C	C	.	.			trans	-80.3	-168.8	158.9	69.6	0	0	0	0	111	V470 I476 L503 H504 I532 A533	V470-T530 WeakPolarHBondContact O-CA 3.43Å; I476-T530 HydrophobicContact CD1-CG2 4.12Å; L503-T530 PolarHBondContact O-N 3.28Å; L503-T530 VanDerWaalsContact O-N 3.12Å; H504-T530 WeakPolarHBondContact CD2-CG2 3.2Å; T530-I532 PolarHBondContact O-N 3.45Å; T530-I532 PolarHBondContact OG1-N 2.98Å; T530-A533 PolarHBondContact O-N 3.36Å
531	N	86.4	Confident	83.4	Confident	57 Å²	57	38.4 Å²	38.4	31%	0.305	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-52.8	-9	169.5	66.7	-34.4	0	0	0	114.8	A533 E534 I551	N531-A533 PolarHBondContact O-N 3.33Å; N531-E534 HydrophobicContact CB-CB 4.46Å; N531-E534 WeakPolarHBondContact O-CB 3.33Å; N531-E534 PolarHBondContact O-N 3.23Å; N531-I551 HydrophobicContact CB-CD1 3.68Å; N531-I551 HydrophobicContact CB-CG1 4.23Å
532	I	80.1	Confident	84.1	Confident	23 Å²	23	29.1 Å²	29.1	12%	0.118	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-58.4	-33.5	172.6	-166.4	173.6	0	0	0	112.9	L503 T530 E534 I537	L503-I532 HydrophobicContact CB-CG2 4.01Å; T530-I532 PolarHBondContact O-N 3.45Å; T530-I532 PolarHBondContact OG1-N 2.98Å; I532-E534 VanDerWaalsContact C-N 3.27Å; I532-I537 HydrophobicContact CD1-CD1 4Å; I532-I537 HydrophobicContact CG1-CD1 3.79Å; I532-I537 HydrophobicContact CG1-CG1 4.4Å
533	A	83.4	Confident	84.7	Confident	1 Å²	1	22 Å²	22	1%	0.008	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-81.8	-7.8	176.3	0	0	0	0	0	113	L467 F469 A529 T530 N531 R581	L467-A533 HydrophobicContact CD1-CB 3.9Å; L467-A533 HydrophobicContact CD2-CB 4.15Å; F469-A533 HydrophobicContact CE1-CB 3.86Å; F469-A533 HydrophobicContact CZ-CB 4.13Å; A529-A533 HydrophobicContact CB-CB 3.48Å; A529-A533 VanDerWaalsContact CB-CB 3.48Å; T530-A533 PolarHBondContact O-N 3.36Å; N531-A533 PolarHBondContact O-N 3.33Å; A533-R581 WeakPolarHBondContact O-CD 3.25Å; A533-R581 PolarHBondContact O-NE 3.21Å; A533-R581 VanDerWaalsContact O-NE 3.11Å
534	E	83.7	Confident	85.2	Confident	4 Å²	4	19.7 Å²	19.7	2%	0.019	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-33.6	-173.1	-173	175.1	147.9	0	0	113.1	F469 N531 I532 N574 Q577 R578 R581	F469-E534 HydrophobicContact CE1-CB 3.91Å; F469-E534 HydrophobicContact CZ-CB 4.36Å; N531-E534 HydrophobicContact CB-CB 4.46Å; N531-E534 WeakPolarHBondContact O-CB 3.33Å; N531-E534 PolarHBondContact O-N 3.23Å; I532-E534 VanDerWaalsContact C-N 3.27Å; E534-N574 WeakPolarHBondContact OE1-CA 3.4Å; E534-N574 VanDerWaalsContact OE1-CB 3.24Å; E534-N574 WeakPolarHBondContact OE1-CB 2.87Å; E534-N574 PolarHBondContact OE1-ND2 2.84Å; E534-Q577 HydrophobicContact CG-CB 4.12Å; E534-R578 HydrophobicContact CB-CG 4.45Å; E534-R578 HydrophobicContact CG-CG 3.82Å; E534-R578 IonicContact OE2-CZ 3.3Å; E534-R578 IonicContact OE2-NE 2.75Å; E534-R578 PolarHBondContact OE2-NE 2.84Å; E534-R578 IonicContact OE2-NH2 2.95Å; E534-R578 PolarHBondContact OE2-NH2 3.16Å; E534-R578 VanDerWaalsContact OE2-NH2 3.16Å; E534-R581 VanDerWaalsContact C-CZ 3.43Å; E534-R581 VanDerWaalsContact C-NH2 3.27Å; E534-R581 PolarHBondContact O-NE 3.28Å; E534-R581 PolarHBondContact O-NH2 3.29Å
535	T	65	Low	85.4	Confident	15 Å²	15	18.4 Å²	18.4	9%	0.092	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.7	-52.2	-178.7	69.2	0	0	0	0	112.1	R234 E306 R581	R234-T535 PolarHBondContact NE-OG1 3.19Å; R234-T535 VanDerWaalsContact NE-OG1 3.1Å; E306-T535 HydrophobicContact CG-CG2 4.23Å; E306-T535 WeakPolarHBondContact OE1-CB 3.39Å; E306-T535 WeakPolarHBondContact OE1-CG2 3.45Å; E306-T535 PolarHBondContact OE1-OG1 3.18Å; T535-R581 VanDerWaalsContact C-NH2 3.34Å; T535-R581 PolarHBondContact O-NH1 2.86Å; T535-R581 VanDerWaalsContact O-NH1 3.15Å; T535-R581 PolarHBondContact O-NH2 3.05Å
536	S	62.1	Low	85.5	Confident	14 Å²	14	18.3 Å²	18.3	10%	0.098	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-12.3	-157.2	-8.2	0	0	0	0	116.7	R234	R234-S536 WeakPolarHBondContact CD-OG 3.27Å; R234-S536 PolarHBondContact NE-OG 3.06Å
537	I	69.1	Low	85.5	Confident	7 Å²	7	18.3 Å²	18.3	4%	0.036	10%	0.098	C	C	.	.			trans	-114.1	124.8	-178.8	-60.8	-178.6	0	0	0	109.2	L503 T509 F516 I532 I539 R581	L503-I537 HydrophobicContact CD1-CD1 4.24Å; T509-I537 HydrophobicContact CG2-CD1 4.16Å; F516-I537 HydrophobicContact CE1-CG2 3.69Å; F516-I537 HydrophobicContact CZ-CG2 4.18Å; I532-I537 HydrophobicContact CD1-CD1 4Å; I532-I537 HydrophobicContact CG1-CD1 3.79Å; I532-I537 HydrophobicContact CG1-CG1 4.4Å; I537-I539 HydrophobicContact CG2-CD1 4.42Å; I537-I539 HydrophobicContact CG2-CG1 4.03Å; I537-R581 PolarHBondContact O-NH1 2.94Å
538	T	70.7	Confident	85.5	Confident	77 Å²	77	18.3 Å²	18.3	47%	0.472	10%	0.098	S	C	.	.			trans	-106.3	104.1	178.1	55.9	0	0	0	0	110.3	R584	T538-R584 VanDerWaalsContact CB-NH1 3.33Å
539	I	81	Confident	85.4	Confident	8 Å²	8	18.3 Å²	18.3	4%	0.041	10%	0.098	C	C	.	.			trans	-99.1	115.1	173.9	-56.4	159.8	0	0	0	106.9	L467 L503 L515 K525 V527 I537 D541 V542	L467-I539 HydrophobicContact CD1-CD1 4.43Å; L503-I539 HydrophobicContact CD1-CD1 4.35Å; L515-I539 HydrophobicContact CD1-CD1 4.29Å; K525-I539 HydrophobicContact CD-CG2 4.4Å; V527-I539 HydrophobicContact CB-CD1 4.31Å; V527-I539 HydrophobicContact CG1-CD1 3.95Å; V527-I539 HydrophobicContact CG2-CD1 4.04Å; I537-I539 HydrophobicContact CG2-CD1 4.42Å; I537-I539 HydrophobicContact CG2-CG1 4.03Å; I539-D541 WeakPolarHBondContact CG2-OD1 3.49Å; I539-V542 HydrophobicContact CB-CG2 3.69Å; I539-V542 HydrophobicContact CD1-CG2 4.41Å; I539-V542 HydrophobicContact CG2-CG2 3.62Å
540	Q	78.5	Confident	85.3	Confident	108 Å²	108	18.6 Å²	18.6	51%	0.505	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-29.7	-169.3	-65.3	-175.1	-3.2	0	0	113.4
541	D	87.8	Confident	85.3	Confident	25 Å²	25	18.9 Å²	18.9	13%	0.134	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	11	-173.7	65.5	-30.2	0	0	0	114.4	A465 S519 K525 I539 V543	A465-D541 VanDerWaalsContact CB-O 3.3Å; A465-D541 WeakPolarHBondContact CB-O 3.41Å; A465-D541 PolarHBondContact N-O 2.88Å; S519-D541 PolarHBondContact N-OD2 2.99Å; S519-D541 PolarHBondContact OG-OD2 2.67Å; S519-D541 VanDerWaalsContact OG-OD2 3.11Å; K525-D541 WeakPolarHBondContact CE-OD2 3.33Å; K525-D541 VanDerWaalsContact NZ-CG 3.29Å; K525-D541 IonicContact NZ-OD1 3.52Å; K525-D541 PolarHBondContact NZ-OD1 3.35Å; K525-D541 IonicContact NZ-OD2 3.63Å; K525-D541 PolarHBondContact NZ-OD2 3.1Å; I539-D541 WeakPolarHBondContact CG2-OD1 3.49Å; D541-V543 PolarHBondContact O-N 3.15Å
542	V	93	Very high	85.3	Confident	8 Å²	8	19.7 Å²	19.7	5%	0.048	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	118.4	175.8	175.7	0	0	0	0	110.6	A465 L467 I539 V545 A582	A465-V542 HydrophobicContact CB-CG2 4.41Å; L467-V542 HydrophobicContact CB-CG1 3.83Å; L467-V542 HydrophobicContact CB-CG2 4.05Å; I539-V542 HydrophobicContact CB-CG2 3.69Å; I539-V542 HydrophobicContact CD1-CG2 4.41Å; I539-V542 HydrophobicContact CG2-CG2 3.62Å; V542-V545 HydrophobicContact CG1-CG2 3.96Å; V542-A582 HydrophobicContact CG1-CB 4.47Å
543	V	95.6	Very high	85.4	Confident	10 Å²	10	19.6 Å²	19.6	6%	0.061	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	-32.8	175.1	179.4	0	0	0	0	110.6	A465 D541 A582 Q586 G588 I589	A465-V543 PolarHBondContact O-N 3.48Å; D541-V543 PolarHBondContact O-N 3.15Å; V543-A582 WeakPolarHBondContact O-CB 3.37Å; V543-Q586 HydrophobicContact CG2-CG 4.11Å; V543-Q586 VanDerWaalsContact CG2-NE2 3.3Å; V543-G588 CarbonylContact O-C 3.54Å; V543-G588 VanDerWaalsContact O-CA 3.28Å; V543-G588 WeakPolarHBondContact O-CA 3.41Å; V543-I589 PolarHBondContact O-N 2.85Å
544	Y	97.7	Very high	85.2	Confident	24 Å²	24	22.5 Å²	22.5	9%	0.094	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	131.9	-177	-51.6	-82.7	0	0	0	110.8	I457 T461 S463 A465 I466 L467 I589 Y591	I457-Y544 HydrophobicContact CD1-CG 4.47Å; I457-Y544 HydrophobicContact CG2-CD1 3.79Å; I457-Y544 HydrophobicContact CG2-CD2 3.73Å; I457-Y544 HydrophobicContact CG2-CE1 4.13Å; I457-Y544 HydrophobicContact CG2-CE2 4.07Å; I457-Y544 HydrophobicContact CG2-CG 3.6Å; T461-Y544 VanDerWaalsContact CB-OH 3.3Å; T461-Y544 WeakPolarHBondContact CB-OH 3.36Å; T461-Y544 HydrophobicContact CG2-CE1 3.86Å; T461-Y544 HydrophobicContact CG2-CE2 4.4Å; T461-Y544 WeakPolarHBondContact CG2-OH 3.47Å; S463-Y544 WeakPolarHBondContact O-CE2 3.38Å; A465-Y544 PolarHBondContact O-N 3Å; A465-Y544 VanDerWaalsContact O-N 3.15Å; I466-Y544 CarbonylContact C-O 3.59Å; I466-Y544 WeakPolarHBondContact CA-O 3.47Å; I466-Y544 HydrophobicContact CG1-CD2 4.14Å; L467-Y544 PolarHBondContact N-O 2.9Å; Y544-I589 CarbonylContact C-O 3.52Å; Y544-I589 VanDerWaalsContact CA-O 3.32Å; Y544-I589 WeakPolarHBondContact CA-O 3.26Å; Y544-I589 HydrophobicContact CD1-CB 4.03Å; Y544-I589 HydrophobicContact CD1-CD1 4.45Å; Y544-I589 HydrophobicContact CD1-CG1 4.44Å; Y544-I589 HydrophobicContact CE1-CB 4.39Å; Y544-I589 HydrophobicContact CE1-CD1 4Å; Y544-I589 HydrophobicContact CE1-CG1 4.3Å; Y544-Y591 HydrophobicContact CD1-CE2 4.32Å
545	V	97.1	Very high	85.2	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.2	171.4	173.4	0	0	0	0	108.8	L467 F469 V542 R581 A582 I589 C590 Y591	L467-V545 HydrophobicContact CB-CG2 4.43Å; L467-V545 CarbonylContact O-C 3.54Å; L467-V545 VanDerWaalsContact O-CA 3.26Å; L467-V545 WeakPolarHBondContact O-CA 3.34Å; F469-V545 HydrophobicContact CD2-CG1 3.91Å; F469-V545 HydrophobicContact CE2-CG1 3.93Å; V542-V545 HydrophobicContact CG1-CG2 3.96Å; V545-R581 HydrophobicContact CG2-CB 4.11Å; V545-A582 HydrophobicContact CG2-CB 3.99Å; V545-I589 PolarHBondContact N-O 2.92Å; V545-C590 HydrophobicContact CB-CB 4.3Å; V545-C590 CarbonylContact O-C 3.45Å; V545-C590 WeakPolarHBondContact O-CA 3.22Å; V545-Y591 PolarHBondContact O-N 3.26Å
546	I	97.2	Very high	85.9	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120.8	167.3	-64.4	168.8	0	0	0	106.9	V454 I457 I466 L467 V468 F469 Y591 L593	V454-I546 HydrophobicContact CB-CD1 4.39Å; V454-I546 HydrophobicContact CG2-CD1 3.53Å; I457-I546 HydrophobicContact CD1-CD1 3.79Å; I457-I546 HydrophobicContact CD1-CG1 3.96Å; I466-I546 HydrophobicContact CG2-CD1 4.02Å; I466-I546 HydrophobicContact CG2-CG1 4.41Å; L467-I546 PolarHBondContact O-N 3.42Å; V468-I546 CarbonylContact C-O 3.54Å; V468-I546 WeakPolarHBondContact CA-O 3.22Å; V468-I546 HydrophobicContact CB-CB 4.5Å; V468-I546 HydrophobicContact CG1-CB 4.24Å; V468-I546 HydrophobicContact CG1-CG2 4.24Å; V468-I546 HydrophobicContact CG2-CB 4.25Å; V468-I546 HydrophobicContact CG2-CD1 4.18Å; F469-I546 PolarHBondContact N-O 2.98Å; I546-Y591 WeakPolarHBondContact CA-O 3.28Å; I546-Y591 HydrophobicContact CG1-CD2 4.5Å; I546-L593 HydrophobicContact CG2-CD1 3.73Å; I546-L593 HydrophobicContact CG2-CD2 4.29Å; I546-L593 HydrophobicContact CG2-CG 3.94Å
547	D	95.7	Very high	86.6	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	115.7	-178.3	-178.3	16	0	0	0	111.4	G549 R578 Y591 H592 L593	D547-G549 PolarHBondContact O-N 2.74Å; D547-G549 PolarHBondContact OD1-N 2.83Å; D547-R578 VanDerWaalsContact CG-CD 3.49Å; D547-R578 WeakPolarHBondContact OD1-CD 2.98Å; D547-R578 IonicContact OD1-CZ 3.57Å; D547-R578 IonicContact OD1-NE 2.81Å; D547-R578 IonicContact OD1-NH1 2.76Å; D547-R578 PolarHBondContact OD1-NH1 3.25Å; D547-R578 WeakPolarHBondContact OD2-CD 3.3Å; D547-Y591 PolarHBondContact N-O 3.38Å; D547-H592 IonicContact OD2-CE1 2.93Å; D547-H592 IonicContact OD2-ND1 2.74Å; D547-H592 PolarHBondContact OD2-ND1 3.3Å; D547-L593 PolarHBondContact O-N 2.88Å
548	C	93.8	Very high	86.7	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.153	C	C	.	.			trans	-68.3	-8	175.4	73.2	0	0	0	0	114.2	Y444 I450 F469 R550	Y444-C548 HydrophobicContact CE2-CB 3.73Å; I450-C548 HydrophobicContact CD1-CB 4.32Å; F469-C548 WeakPolarHBondContact O-CB 3.38Å; F469-C548 PolarHBondContact O-N 3.36Å; F469-C548 PolarHBondContact O-SG 3.29Å; C548-R550 VanDerWaalsContact C-N 3.26Å; C548-R550 PolarHBondContact O-N 3.13Å; C548-R550 PolarHBondContact O-NH1 2.73Å; C548-R550 PolarHBondContact SG-N 2.94Å
549	G	92.5	Very high	86.7	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	71.9	16.6	179.7	0	0	0	0	0	114.3	D547 L569 V570	D547-G549 PolarHBondContact O-N 2.74Å; D547-G549 PolarHBondContact OD1-N 2.83Å; G549-L569 WeakPolarHBondContact O-CA 3.28Å; G549-L569 WeakPolarHBondContact O-CD2 3.35Å; G549-V570 PolarHBondContact O-N 3.23Å
550	R	90.7	Very high	86.2	Confident	5 Å²	5	37.6 Å²	37.6	2%	0.019	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	154.9	-176.4	-71.8	178	-177.8	78.2	-3.4	113.4	G440 E441 T443 P471 C548 I568 L569 R578	G440-R550 PolarHBondContact O-NH2 2.96Å; E441-R550 VanDerWaalsContact C-NH2 3.33Å; E441-R550 VanDerWaalsContact O-CZ 3.25Å; E441-R550 PolarHBondContact O-NE 3.17Å; E441-R550 PolarHBondContact O-NH2 3.35Å; T443-R550 PolarHBondContact O-NH2 3.37Å; P471-R550 HydrophobicContact CG-CB 3.74Å; C548-R550 VanDerWaalsContact C-N 3.26Å; C548-R550 PolarHBondContact O-N 3.13Å; C548-R550 PolarHBondContact O-NH1 2.73Å; C548-R550 PolarHBondContact SG-N 2.94Å; R550-I568 WeakPolarHBondContact CA-O 3.41Å; R550-I568 WeakPolarHBondContact CB-O 3.34Å; R550-L569 HydrophobicContact CG-CD2 4.36Å; R550-R578 PolarHBondContact O-NH1 3.43Å; R550-R578 PolarHBondContact O-NH2 3.11Å
551	I	89.8	Confident	86	Confident	11 Å²	11	33.6 Å²	33.6	6%	0.056	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	140.9	178	-175.4	165.4	0	0	0	109.1	N531 V553 A567 I568 V570 L607	N531-I551 HydrophobicContact CB-CD1 3.68Å; N531-I551 HydrophobicContact CB-CG1 4.23Å; I551-V553 HydrophobicContact CD1-CG2 4.49Å; I551-V553 HydrophobicContact CG1-CG2 4.13Å; I551-V553 HydrophobicContact CG2-CG2 3.85Å; I551-A567 WeakPolarHBondContact O-CA 3.33Å; I551-I568 HydrophobicContact CG2-CG1 4.04Å; I551-I568 PolarHBondContact N-O 2.75Å; I551-I568 PolarHBondContact O-N 3.09Å; I551-V570 HydrophobicContact CB-CG1 3.91Å; I551-V570 HydrophobicContact CG2-CG1 3.77Å; I551-L607 HydrophobicContact CG2-CD1 4.43Å
552	K	86.1	Confident	85.5	Confident	73 Å²	73	32.6 Å²	32.6	32%	0.317	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	120.5	168.7	-77	-174.2	-179.8	-173.7	0	109	P471 L565 T566 A567	P471-K552 HydrophobicContact CB-CG 4Å; P471-K552 WeakPolarHBondContact O-CG 2.87Å; K552-L565 HydrophobicContact CB-CD1 3.95Å; K552-L565 HydrophobicContact CB-CG 4.33Å; K552-L565 HydrophobicContact CD-CD2 4.44Å; K552-L565 HydrophobicContact CD-CG 4.43Å; K552-T566 WeakPolarHBondContact CA-O 3.17Å; K552-A567 HydrophobicContact CG-CB 4.26Å
553	V	82.9	Confident	84.9	Confident	21 Å²	21	33.7 Å²	33.7	13%	0.127	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	139.1	179.1	179	0	0	0	0	109	I551 T566 I568	I551-V553 HydrophobicContact CD1-CG2 4.49Å; I551-V553 HydrophobicContact CG1-CG2 4.13Å; I551-V553 HydrophobicContact CG2-CG2 3.85Å; V553-T566 PolarHBondContact N-O 3.44Å; V553-T566 VanDerWaalsContact N-O 3.09Å; V553-T566 PolarHBondContact O-N 2.84Å; V553-I568 HydrophobicContact CB-CD1 4.17Å; V553-I568 HydrophobicContact CB-CG1 4.44Å; V553-I568 HydrophobicContact CG2-CD1 3.9Å; V553-I568 HydrophobicContact CG2-CG1 4.07Å
554	T	79.9	Confident	84.1	Confident	62 Å²	62	33.7 Å²	33.7	38%	0.38	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	124.1	168	52.3	0	0	0	0	108.9	T564 L565 R613	T554-T564 CarbonylContact C-O 3.55Å; T554-T564 WeakPolarHBondContact CA-O 3.41Å; T554-L565 HydrophobicContact CG2-CD1 3.81Å; T554-R613 PolarHBondContact O-NH1 3.09Å; T554-R613 PolarHBondContact OG1-NH1 3.23Å; T554-R613 VanDerWaalsContact OG1-NH1 3.07Å
555	D	82.3	Confident	83.1	Confident	68 Å²	68	36.4 Å²	36.4	36%	0.364	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	153.5	171.5	-175.1	25.4	0	0	0	108.9	S563 T564 R613	D555-S563 CarbonylContact O-C 3.57Å; D555-S563 VanDerWaalsContact O-CA 3.28Å; D555-S563 WeakPolarHBondContact O-CA 3.27Å; D555-T564 PolarHBondContact N-O 3.25Å; D555-T564 PolarHBondContact O-N 3.5Å; D555-R613 CarbonylContact C-O 3.38Å; D555-R613 WeakPolarHBondContact CA-O 3.44Å
556	Y	80.2	Confident	82.2	Confident	27 Å²	27	38 Å²	38	11%	0.106	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	127.3	-175.8	177	-115.3	0	0	0	110.2	P558 N561 R613 R615	Y556-P558 HydrophobicContact CD1-CG 4.09Å; Y556-P558 HydrophobicContact CE1-CB 4.06Å; Y556-P558 HydrophobicContact CE1-CG 3.96Å; Y556-P558 WeakPolarHBondContact O-CD 3.37Å; Y556-N561 PolarHBondContact OH-OD1 3.28Å; Y556-R613 WeakPolarHBondContact CB-O 3.43Å; Y556-R613 PolarHBondContact N-O 3.05Å; Y556-R613 VanDerWaalsContact N-O 3.13Å; Y556-R615 HydrophobicContact CD1-CG 4.24Å; Y556-R615 HydrophobicContact CD2-CG 3.73Å; Y556-R615 HydrophobicContact CE1-CG 4.16Å; Y556-R615 HydrophobicContact CE2-CG 3.66Å; Y556-R615 HydrophobicContact CG-CG 4.04Å
557	D	76	Confident	81.5	Confident	63 Å²	63	38.9 Å²	38.9	34%	0.337	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	105.3	171.7	-177.7	-5.5	0	0	0	109.7	R559 Q560 N561 T562	D557-R559 PolarHBondContact O-N 2.98Å; D557-R559 WeakPolarHBondContact OD1-CA 3.44Å; D557-R559 VanDerWaalsContact OD1-CB 3.29Å; D557-R559 WeakPolarHBondContact OD1-CB 3.29Å; D557-R559 PolarHBondContact OD1-N 3.48Å; D557-Q560 PolarHBondContact O-N 3.42Å; D557-Q560 WeakPolarHBondContact OD2-CG 3.34Å; D557-N561 WeakPolarHBondContact O-CA 3.29Å; D557-N561 PolarHBondContact O-N 3.31Å; D557-T562 PolarHBondContact N-O 2.97Å; D557-T562 PolarHBondContact O-N 3.47Å
558	P	71.5	Confident	81	Confident	24 Å²	24	41.1 Å²	41.1	16%	0.156	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-26.8	177.6	-19.5	30.5	0	0	0	112.6	Y556 Q560 A646 K649	Y556-P558 HydrophobicContact CD1-CG 4.09Å; Y556-P558 HydrophobicContact CE1-CB 4.06Å; Y556-P558 HydrophobicContact CE1-CG 3.96Å; Y556-P558 WeakPolarHBondContact O-CD 3.37Å; P558-Q560 VanDerWaalsContact C-N 3.35Å; P558-A646 HydrophobicContact CB-CB 4.25Å; P558-A646 HydrophobicContact CG-CB 3.72Å; P558-K649 HydrophobicContact CB-CD 4.06Å; P558-K649 WeakPolarHBondContact O-CD 3.46Å; P558-K649 WeakPolarHBondContact O-CE 3.5Å; P558-K649 PolarHBondContact O-NZ 3.18Å; P558-K649 VanDerWaalsContact O-NZ 3.13Å
559	R	70.7	Confident	80.8	Confident	185 Å²	185	42.3 Å²	42.3	70%	0.698	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-26.8	-179	-61.5	-179.8	176.2	178.2	0.1	113.3	D557 K649	D557-R559 PolarHBondContact O-N 2.98Å; D557-R559 WeakPolarHBondContact OD1-CA 3.44Å; D557-R559 VanDerWaalsContact OD1-CB 3.29Å; D557-R559 WeakPolarHBondContact OD1-CB 3.29Å; D557-R559 PolarHBondContact OD1-N 3.48Å; R559-K649 VanDerWaalsContact CA-NZ 3.31Å
560	Q	71	Confident	80.8	Confident	76 Å²	76	42.3 Å²	42.3	36%	0.355	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	1.1	179.9	-61.2	-66.6	-85.9	0	0	112.1	D557 P558 T562 K932	D557-Q560 PolarHBondContact O-N 3.42Å; D557-Q560 WeakPolarHBondContact OD2-CG 3.34Å; P558-Q560 VanDerWaalsContact C-N 3.35Å; Q560-T562 PolarHBondContact O-N 3.42Å; Q560-T562 VanDerWaalsContact O-N 3.17Å; Q560-T562 PolarHBondContact O-OG1 3.26Å; Q560-K932 WeakPolarHBondContact O-CE 3.18Å; Q560-K932 PolarHBondContact O-NZ 2.93Å
561	N	74.8	Confident	80.8	Confident	23 Å²	23	42.1 Å²	42.1	12%	0.123	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	43	48.5	-170.7	-177	17.9	0	0	0	110.8	Y556 D557 E905 K932	Y556-N561 PolarHBondContact OH-OD1 3.28Å; D557-N561 WeakPolarHBondContact O-CA 3.29Å; D557-N561 PolarHBondContact O-N 3.31Å; N561-E905 WeakPolarHBondContact CB-OE1 3.34Å; N561-E905 PolarHBondContact ND2-OE1 3.27Å; N561-K932 WeakPolarHBondContact O-CE 3.41Å
562	T	76.7	Confident	80.9	Confident	5 Å²	5	43.6 Å²	43.6	3%	0.031	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	121.9	-169.8	-64.5	0	0	0	0	109	D557 Q560 K932 K934 P941	D557-T562 PolarHBondContact N-O 2.97Å; D557-T562 PolarHBondContact O-N 3.47Å; Q560-T562 PolarHBondContact O-N 3.42Å; Q560-T562 VanDerWaalsContact O-N 3.17Å; Q560-T562 PolarHBondContact O-OG1 3.26Å; T562-K932 WeakPolarHBondContact OG1-CE 3.3Å; T562-K934 HydrophobicContact CG2-CB 3.77Å; T562-P941 HydrophobicContact CG2-CB 3.85Å
563	S	81.4	Confident	80.9	Confident	30 Å²	30	40.8 Å²	40.8	21%	0.21	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	147.6	168.8	-51.4	0	0	0	0	109.5	D555 K932 T933 K934	D555-S563 CarbonylContact O-C 3.57Å; D555-S563 VanDerWaalsContact O-CA 3.28Å; D555-S563 WeakPolarHBondContact O-CA 3.27Å; S563-K932 PolarHBondContact N-O 2.76Å; S563-T933 CarbonylContact O-C 3.52Å; S563-T933 WeakPolarHBondContact O-CA 3.34Å; S563-T933 VanDerWaalsContact O-CG2 3.28Å; S563-T933 WeakPolarHBondContact O-CG2 3.29Å; S563-K934 PolarHBondContact O-N 3.32Å
564	T	77.4	Confident	81.2	Confident	11 Å²	11	40.8 Å²	40.8	7%	0.067	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	132.9	172.7	81.9	0	0	0	0	108.2	T554 D555 K934	T554-T564 CarbonylContact C-O 3.55Å; T554-T564 WeakPolarHBondContact CA-O 3.41Å; D555-T564 PolarHBondContact N-O 3.25Å; D555-T564 PolarHBondContact O-N 3.5Å; T564-K934 HydrophobicContact CG2-CB 3.72Å
565	L	77	Confident	81.8	Confident	80 Å²	80	37.9 Å²	37.9	42%	0.419	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	97.4	174.4	-179.2	67.9	0	0	0	107.1	K552 T554	K552-L565 HydrophobicContact CB-CD1 3.95Å; K552-L565 HydrophobicContact CB-CG 4.33Å; K552-L565 HydrophobicContact CD-CD2 4.44Å; K552-L565 HydrophobicContact CD-CG 4.43Å; T554-L565 HydrophobicContact CG2-CD1 3.81Å
566	T	77.7	Confident	82.1	Confident	35 Å²	35	36.1 Å²	36.1	22%	0.215	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	141.2	-174.9	51.1	0	0	0	0	110.7	K552 V553 I568 E936	K552-T566 WeakPolarHBondContact CA-O 3.17Å; V553-T566 PolarHBondContact N-O 3.44Å; V553-T566 VanDerWaalsContact N-O 3.09Å; V553-T566 PolarHBondContact O-N 2.84Å; T566-I568 PolarHBondContact O-N 3.28Å; T566-E936 HydrophobicContact CG2-CG 4.47Å
567	A	83.9	Confident	82.4	Confident	18 Å²	18	35.3 Å²	35.3	15%	0.149	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	119.9	166.8	0	0	0	0	0	109.5	P471 I551 K552 E936	P471-A567 HydrophobicContact CB-CB 4.34Å; I551-A567 WeakPolarHBondContact O-CA 3.33Å; K552-A567 HydrophobicContact CG-CB 4.26Å; A567-E936 PolarHBondContact N-OE1 3.43Å
568	I	85	Confident	83.2	Confident	47 Å²	47	32.4 Å²	32.4	24%	0.241	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	165	175.6	63.4	169.1	0	0	0	110.3	R550 I551 V553 T566 L607	R550-I568 WeakPolarHBondContact CA-O 3.41Å; R550-I568 WeakPolarHBondContact CB-O 3.34Å; I551-I568 HydrophobicContact CG2-CG1 4.04Å; I551-I568 PolarHBondContact N-O 2.75Å; I551-I568 PolarHBondContact O-N 3.09Å; V553-I568 HydrophobicContact CB-CD1 4.17Å; V553-I568 HydrophobicContact CB-CG1 4.44Å; V553-I568 HydrophobicContact CG2-CD1 3.9Å; V553-I568 HydrophobicContact CG2-CG1 4.07Å; T566-I568 PolarHBondContact O-N 3.28Å; I568-L607 HydrophobicContact CD1-CD2 3.94Å
569	L	90.2	Very high	84.2	Confident	24 Å²	24	31.5 Å²	31.5	13%	0.126	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	142.1	168.9	-72.6	174.7	0	0	0	110.1	E441 G549 R550 V598 V602 M603	E441-L569 HydrophobicContact CB-CD1 4.06Å; E441-L569 HydrophobicContact CB-CG 4.44Å; E441-L569 HydrophobicContact CG-CD1 3.96Å; G549-L569 WeakPolarHBondContact O-CA 3.28Å; G549-L569 WeakPolarHBondContact O-CD2 3.35Å; R550-L569 HydrophobicContact CG-CD2 4.36Å; L569-V598 HydrophobicContact CD1-CG1 3.86Å; L569-V598 HydrophobicContact CD2-CG1 4.43Å; L569-V602 HydrophobicContact CD1-CG1 4.07Å; L569-M603 HydrophobicContact CD2-CE 4.13Å
570	V	91.7	Very high	84.9	Confident	1 Å²	1	22.8 Å²	22.8	1%	0.006	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-69.5	156.2	169.5	-63.9	0	0	0	0	110.6	G549 I551 N574 A575 M603	G549-V570 PolarHBondContact O-N 3.23Å; I551-V570 HydrophobicContact CB-CG1 3.91Å; I551-V570 HydrophobicContact CG2-CG1 3.77Å; V570-N574 HydrophobicContact CB-CB 3.88Å; V570-N574 HydrophobicContact CG1-CB 4.42Å; V570-A575 HydrophobicContact CG2-CB 4.13Å; V570-M603 HydrophobicContact CG2-CE 3.94Å; V570-M603 HydrophobicContact CG2-SD 4.43Å; V570-M603 WeakPolarHBondContact O-CG 3.33Å
571	S	91.2	Very high	85.7	Confident	1 Å²	1	19.9 Å²	19.9	1%	0.007	12%	0.116	C	C	.	.	P	Polyproline II helix	trans	-75	165.3	168.8	74.1	0	0	0	0	111.7	A573 N574 A575 S604 F606	S571-A573 VanDerWaalsContact C-N 3.26Å; S571-A573 PolarHBondContact O-N 3.22Å; S571-A573 PolarHBondContact OG-N 3.26Å; S571-N574 WeakPolarHBondContact CB-OD1 3.49Å; S571-N574 PolarHBondContact N-OD1 2.84Å; S571-N574 PolarHBondContact O-N 2.78Å; S571-N574 PolarHBondContact OG-N 3.49Å; S571-N574 PolarHBondContact OG-OD1 3.06Å; S571-A575 PolarHBondContact O-N 3.04Å; S571-S604 CarbonylContact C-O 3.55Å; S571-S604 VanDerWaalsContact CA-O 3.23Å; S571-S604 WeakPolarHBondContact CA-O 3.48Å; S571-S604 VanDerWaalsContact CB-O 3.3Å; S571-S604 WeakPolarHBondContact CB-O 3.35Å; S571-F606 VanDerWaalsContact CB-CA 3.48Å
572	K	91.5	Very high	86.5	Confident	42 Å²	42	18.9 Å²	18.9	18%	0.183	11%	0.11	C	C	.	.	H	α-helix	trans	-58.7	-39.1	173.1	-62	-176	-165.9	150.2	0	111.7	A575 A576 Y599 M603 S604 D605	K572-A575 PolarHBondContact O-N 3.23Å; K572-A576 WeakPolarHBondContact O-CB 3.29Å; K572-A576 PolarHBondContact O-N 3.1Å; K572-Y599 HydrophobicContact CB-CE2 3.94Å; K572-Y599 HydrophobicContact CD-CE1 4.38Å; K572-Y599 HydrophobicContact CD-CE2 4.49Å; K572-Y599 WeakPolarHBondContact CE-O 3.36Å; K572-Y599 HydrophobicContact CG-CD2 4.25Å; K572-Y599 HydrophobicContact CG-CE2 3.85Å; K572-M603 WeakPolarHBondContact CE-O 3.43Å; K572-M603 HydrophobicContact CG-CB 4.07Å; K572-S604 PolarHBondContact N-O 2.95Å; K572-D605 WeakPolarHBondContact CD-OD1 3.41Å; K572-D605 WeakPolarHBondContact CE-OD1 3.37Å; K572-D605 IonicContact NZ-OD1 3.92Å; K572-D605 PolarHBondContact NZ-OD1 2.83Å
573	A	86.2	Confident	86.9	Confident	13 Å²	13	18.8 Å²	18.8	11%	0.107	11%	0.11	C	C	.	.	H	α-helix	trans	-61.5	-44.8	176	0	0	0	0	0	112.2	S571 A576 Q577 D605 F606	S571-A573 VanDerWaalsContact C-N 3.26Å; S571-A573 PolarHBondContact O-N 3.22Å; S571-A573 PolarHBondContact OG-N 3.26Å; A573-A576 PolarHBondContact O-N 3.35Å; A573-Q577 WeakPolarHBondContact O-CG 3.29Å; A573-Q577 PolarHBondContact O-N 3.25Å; A573-D605 WeakPolarHBondContact CB-O 3.44Å; A573-D605 PolarHBondContact N-O 2.66Å; A573-D605 VanDerWaalsContact N-O 3.16Å; A573-F606 HydrophobicContact CB-CD1 4.01Å; A573-F606 HydrophobicContact CB-CE1 4.4Å
574	N	90	Very high	86.8	Confident	22 Å²	22	19.8 Å²	19.8	12%	0.118	11%	0.11	C	C	.	.	H	α-helix	trans	-63.5	-45	176	-65.8	115.6	0	0	0	111.7	E534 V570 S571 A576 Q577 R578 L607	E534-N574 WeakPolarHBondContact OE1-CA 3.4Å; E534-N574 VanDerWaalsContact OE1-CB 3.24Å; E534-N574 WeakPolarHBondContact OE1-CB 2.87Å; E534-N574 PolarHBondContact OE1-ND2 2.84Å; V570-N574 HydrophobicContact CB-CB 3.88Å; V570-N574 HydrophobicContact CG1-CB 4.42Å; S571-N574 WeakPolarHBondContact CB-OD1 3.49Å; S571-N574 PolarHBondContact N-OD1 2.84Å; S571-N574 PolarHBondContact O-N 2.78Å; S571-N574 PolarHBondContact OG-N 3.49Å; S571-N574 PolarHBondContact OG-OD1 3.06Å; N574-A576 VanDerWaalsContact C-N 3.3Å; N574-A576 PolarHBondContact O-N 2.86Å; N574-Q577 WeakPolarHBondContact O-CB 3.48Å; N574-Q577 PolarHBondContact O-N 3.36Å; N574-Q577 VanDerWaalsContact O-N 3.17Å; N574-R578 WeakPolarHBondContact O-CG 3.22Å; N574-R578 PolarHBondContact O-N 2.87Å; N574-L607 WeakPolarHBondContact OD1-CD1 3.14Å; N574-L607 VanDerWaalsContact OD1-CG 3.23Å; N574-L607 WeakPolarHBondContact OD1-CG 3.44Å
575	A	92.2	Very high	86.8	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.4	-42.9	176.4	0	0	0	0	0	111.4	V570 S571 K572 Q577 R578 S579 F594 Y599	V570-A575 HydrophobicContact CG2-CB 4.13Å; S571-A575 PolarHBondContact O-N 3.04Å; K572-A575 PolarHBondContact O-N 3.23Å; A575-Q577 PolarHBondContact O-N 3.3Å; A575-R578 PolarHBondContact O-N 3.28Å; A575-S579 PolarHBondContact O-N 2.97Å; A575-S579 PolarHBondContact O-OG 3.38Å; A575-F594 HydrophobicContact CB-CZ 4.23Å; A575-Y599 HydrophobicContact CB-CE2 4.26Å
576	A	88.6	Confident	87.3	Confident	32 Å²	32	24 Å²	24	26%	0.264	13%	0.133	S	C	.	.	H	α-helix	trans	-62.8	-38.7	176.1	0	0	0	0	0	112.8	K572 A573 N574 S579 G580	K572-A576 WeakPolarHBondContact O-CB 3.29Å; K572-A576 PolarHBondContact O-N 3.1Å; A573-A576 PolarHBondContact O-N 3.35Å; N574-A576 VanDerWaalsContact C-N 3.3Å; N574-A576 PolarHBondContact O-N 2.86Å; A576-S579 PolarHBondContact O-N 3.16Å; A576-G580 PolarHBondContact O-N 3.35Å
577	Q	86.7	Confident	88	Confident	10 Å²	10	25.9 Å²	25.9	5%	0.047	15%	0.146	C	C	.	.	H	α-helix	trans	-67.1	-42.1	175.3	-72	178.5	15.3	0	0	112.8	T201 H305 E534 A573 N574 A575 S579 G580 R581	T201-Q577 HydrophobicContact CG2-CG 4.11Å; H305-Q577 PolarHBondContact CD2-NE2 3.08Å; H305-Q577 PolarHBondContact NE2-NE2 2.78Å; E534-Q577 HydrophobicContact CG-CB 4.12Å; A573-Q577 WeakPolarHBondContact O-CG 3.29Å; A573-Q577 PolarHBondContact O-N 3.25Å; N574-Q577 WeakPolarHBondContact O-CB 3.48Å; N574-Q577 PolarHBondContact O-N 3.36Å; N574-Q577 VanDerWaalsContact O-N 3.17Å; A575-Q577 PolarHBondContact O-N 3.3Å; Q577-S579 VanDerWaalsContact C-N 3.35Å; Q577-G580 PolarHBondContact O-N 3.48Å; Q577-G580 VanDerWaalsContact O-N 3.17Å; Q577-R581 PolarHBondContact O-N 3.5Å
578	R	92.2	Very high	88.5	Confident	1 Å²	1	25.2 Å²	25.2	0%	0.004	14%	0.14	C	C	.	.	H	α-helix	trans	-59.5	-47.2	173.9	-70.5	-178.9	179	-168.1	0.4	110.6	F469 E534 D547 R550 N574 A575 G580 R581	F469-R578 HydrophobicContact CD1-CG 4.09Å; F469-R578 HydrophobicContact CD2-CB 3.76Å; F469-R578 HydrophobicContact CD2-CG 3.74Å; F469-R578 HydrophobicContact CE1-CG 3.98Å; F469-R578 HydrophobicContact CE2-CB 3.54Å; F469-R578 HydrophobicContact CE2-CG 3.63Å; F469-R578 HydrophobicContact CG-CB 4.46Å; F469-R578 HydrophobicContact CG-CG 3.97Å; F469-R578 HydrophobicContact CZ-CB 4.08Å; F469-R578 HydrophobicContact CZ-CG 3.75Å; E534-R578 HydrophobicContact CB-CG 4.45Å; E534-R578 HydrophobicContact CG-CG 3.82Å; E534-R578 IonicContact OE2-CZ 3.3Å; E534-R578 IonicContact OE2-NE 2.75Å; E534-R578 PolarHBondContact OE2-NE 2.84Å; E534-R578 IonicContact OE2-NH2 2.95Å; E534-R578 PolarHBondContact OE2-NH2 3.16Å; E534-R578 VanDerWaalsContact OE2-NH2 3.16Å; D547-R578 VanDerWaalsContact CG-CD 3.49Å; D547-R578 WeakPolarHBondContact OD1-CD 2.98Å; D547-R578 IonicContact OD1-CZ 3.57Å; D547-R578 IonicContact OD1-NE 2.81Å; D547-R578 IonicContact OD1-NH1 2.76Å; D547-R578 PolarHBondContact OD1-NH1 3.25Å; D547-R578 WeakPolarHBondContact OD2-CD 3.3Å; R550-R578 PolarHBondContact O-NH1 3.43Å; R550-R578 PolarHBondContact O-NH2 3.11Å; N574-R578 WeakPolarHBondContact O-CG 3.22Å; N574-R578 PolarHBondContact O-N 2.87Å; A575-R578 PolarHBondContact O-N 3.28Å; R578-G580 VanDerWaalsContact C-N 3.28Å; R578-G580 PolarHBondContact O-N 3.07Å; R578-R581 WeakPolarHBondContact O-CB 3.23Å; R578-R581 WeakPolarHBondContact O-CG 3.43Å; R578-R581 PolarHBondContact O-N 2.76Å; R578-R581 VanDerWaalsContact O-N 3.13Å
579	S	92.1	Very high	89.1	Confident	6 Å²	6	24.9 Å²	24.9	4%	0.042	14%	0.138	C	C	.	.	H	α-helix	trans	-60.1	-36.6	174.3	-60.6	0	0	0	0	112.5	A575 A576 Q577 R581 A582 C590 H592	A575-S579 PolarHBondContact O-N 2.97Å; A575-S579 PolarHBondContact O-OG 3.38Å; A576-S579 PolarHBondContact O-N 3.16Å; Q577-S579 VanDerWaalsContact C-N 3.35Å; S579-R581 PolarHBondContact O-N 2.72Å; S579-R581 VanDerWaalsContact O-N 3.16Å; S579-A582 PolarHBondContact O-N 2.82Å; S579-C590 PolarHBondContact OG-SG 2.83Å; S579-H592 PolarHBondContact OG-CE1 2.94Å; S579-H592 PolarHBondContact OG-NE2 3.06Å
580	G	85.6	Confident	89.4	Confident	2 Å²	2	23.7 Å²	23.7	2%	0.021	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	0.4	175.9	0	0	0	0	0	115.9	T201 A576 Q577 R578 A582 R584	T201-G580 WeakPolarHBondContact OG1-CA 3.01Å; A576-G580 PolarHBondContact O-N 3.35Å; Q577-G580 PolarHBondContact O-N 3.48Å; Q577-G580 VanDerWaalsContact O-N 3.17Å; R578-G580 VanDerWaalsContact C-N 3.28Å; R578-G580 PolarHBondContact O-N 3.07Å; G580-A582 VanDerWaalsContact C-N 3.32Å; G580-A582 CarbonylContact C-O 3.57Å; G580-R584 PolarHBondContact O-NE 3.4Å
581	R	88.4	Confident	89.7	Confident	15 Å²	15	24.1 Å²	24.1	6%	0.057	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-20.2	168.3	-60.6	-70.6	154.8	179.5	-15.3	112.3	L467 F469 A533 E534 T535 I537 V545 Q577 R578 S579	L467-R581 HydrophobicContact CD2-CB 3.7Å; L467-R581 HydrophobicContact CD2-CG 3.98Å; F469-R581 HydrophobicContact CE2-CG 4.42Å; F469-R581 HydrophobicContact CZ-CG 4.11Å; A533-R581 WeakPolarHBondContact O-CD 3.25Å; A533-R581 PolarHBondContact O-NE 3.21Å; A533-R581 VanDerWaalsContact O-NE 3.11Å; E534-R581 VanDerWaalsContact C-CZ 3.43Å; E534-R581 VanDerWaalsContact C-NH2 3.27Å; E534-R581 PolarHBondContact O-NE 3.28Å; E534-R581 PolarHBondContact O-NH2 3.29Å; T535-R581 VanDerWaalsContact C-NH2 3.34Å; T535-R581 PolarHBondContact O-NH1 2.86Å; T535-R581 VanDerWaalsContact O-NH1 3.15Å; T535-R581 PolarHBondContact O-NH2 3.05Å; I537-R581 PolarHBondContact O-NH1 2.94Å; V545-R581 HydrophobicContact CG2-CB 4.11Å; Q577-R581 PolarHBondContact O-N 3.5Å; R578-R581 WeakPolarHBondContact O-CB 3.23Å; R578-R581 WeakPolarHBondContact O-CG 3.43Å; R578-R581 PolarHBondContact O-N 2.76Å; R578-R581 VanDerWaalsContact O-N 3.13Å; S579-R581 PolarHBondContact O-N 2.72Å; S579-R581 VanDerWaalsContact O-N 3.16Å
582	A	90.4	Very high	89.9	Confident	1 Å²	1	24.3 Å²	24.3	1%	0.008	14%	0.135	C	C	.	.	S	Bend	trans	-94	167.5	162.1	0	0	0	0	0	110.6	V361 V542 V543 V545 S579 G580	V361-A582 HydrophobicContact CG1-CB 4.4Å; V361-A582 HydrophobicContact CG2-CB 4.22Å; V361-A582 WeakPolarHBondContact CG2-O 3.33Å; V542-A582 HydrophobicContact CG1-CB 4.47Å; V543-A582 WeakPolarHBondContact O-CB 3.37Å; V545-A582 HydrophobicContact CG2-CB 3.99Å; S579-A582 PolarHBondContact O-N 2.82Å; G580-A582 VanDerWaalsContact C-N 3.32Å; G580-A582 CarbonylContact C-O 3.57Å
583	G	86.3	Confident	90.1	Very high	3 Å²	3	22.4 Å²	22.4	3%	0.031	13%	0.126	C	C	.	.	S	Bend	trans	82.9	15.5	176.6	0	0	0	0	0	115.3	F359 Q586	F359-G583 WeakPolarHBondContact CB-O 3.21Å; F359-G583 PolarHBondContact N-O 3.19Å; F359-G583 VanDerWaalsContact N-O 3.07Å; G583-Q586 CarbonylContact C-O 3.34Å; G583-Q586 WeakPolarHBondContact CA-O 3.42Å
584	R	78.3	Confident	90.4	Very high	51 Å²	51	22 Å²	22	19%	0.192	12%	0.122	C	C	.	.	S	Bend	trans	-87.6	-43.5	-176.5	-67.8	-176.3	173.5	-164.3	-4.3	114	T538 G580	T538-R584 VanDerWaalsContact CB-NH1 3.33Å; G580-R584 PolarHBondContact O-NE 3.4Å
585	V	77.5	Confident	90.5	Very high	91 Å²	91	20.9 Å²	20.9	55%	0.552	12%	0.117	S	C	*	.	S	Bend	trans	-114	-20.2	-176.7	-174.6	0	0	0	0	111.8	F359	F359-V585 WeakPolarHBondContact CE2-O 3.1Å; F359-V585 WeakPolarHBondContact CZ-O 3.19Å
586	Q	87.9	Confident	90.7	Very high	89 Å²	89	21.7 Å²	21.7	42%	0.416	12%	0.122	S	C	.	.	S	Bend	trans	-159.7	167.1	178.6	63.1	-174.3	-43.5	0	0	109.2	F359 V543 G583	F359-Q586 VanDerWaalsContact CB-C 3.42Å; F359-Q586 WeakPolarHBondContact CB-O 3.4Å; F359-Q586 VanDerWaalsContact CD2-N 3.33Å; V543-Q586 HydrophobicContact CG2-CG 4.11Å; V543-Q586 VanDerWaalsContact CG2-NE2 3.3Å; G583-Q586 CarbonylContact C-O 3.34Å; G583-Q586 WeakPolarHBondContact CA-O 3.42Å
587	P	92.5	Very high	90.9	Very high	75 Å²	75	21.2 Å²	21.2	49%	0.487	11%	0.113	S	C	.	.			trans	-52.5	142	175.4	-27.3	36.3	0	0	0	112.9	F359 P360	F359-P587 HydrophobicContact CD1-CG 4.38Å; P360-P587 HydrophobicContact CG-CB 4.3Å; P360-P587 HydrophobicContact CG-CG 4.41Å; P360-P587 WeakPolarHBondContact O-CA 3.25Å
588	G	94.6	Very high	91.1	Very high	4 Å²	4	20.8 Å²	20.8	4%	0.041	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	169.5	-175.3	0	0	0	0	0	114.1	P360 V361 K362 V543	P360-G588 PolarHBondContact O-N 3.27Å; V361-G588 CarbonylContact C-O 3.53Å; V361-G588 VanDerWaalsContact CA-O 3.3Å; V361-G588 WeakPolarHBondContact CA-O 3.43Å; K362-G588 PolarHBondContact N-O 3.13Å; V543-G588 CarbonylContact O-C 3.54Å; V543-G588 VanDerWaalsContact O-CA 3.28Å; V543-G588 WeakPolarHBondContact O-CA 3.41Å
589	I	97.1	Very high	91.1	Very high	39 Å²	39	23 Å²	23	20%	0.2	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	134.4	172.9	-52.9	-174.6	0	0	0	109.7	K362 Y364 V543 Y544 V545 Y591	K362-I589 HydrophobicContact CB-CG1 4.46Å; K362-I589 CarbonylContact O-C 3.57Å; K362-I589 VanDerWaalsContact O-CA 3.31Å; K362-I589 WeakPolarHBondContact O-CA 3.3Å; Y364-I589 HydrophobicContact CD2-CG2 3.56Å; Y364-I589 HydrophobicContact CE2-CG2 3.69Å; V543-I589 PolarHBondContact O-N 2.85Å; Y544-I589 CarbonylContact C-O 3.52Å; Y544-I589 VanDerWaalsContact CA-O 3.32Å; Y544-I589 WeakPolarHBondContact CA-O 3.26Å; Y544-I589 HydrophobicContact CD1-CB 4.03Å; Y544-I589 HydrophobicContact CD1-CD1 4.45Å; Y544-I589 HydrophobicContact CD1-CG1 4.44Å; Y544-I589 HydrophobicContact CE1-CB 4.39Å; Y544-I589 HydrophobicContact CE1-CD1 4Å; Y544-I589 HydrophobicContact CE1-CG1 4.3Å; V545-I589 PolarHBondContact N-O 2.92Å; I589-Y591 HydrophobicContact CB-CE2 4.22Å; I589-Y591 HydrophobicContact CG2-CD2 4.05Å; I589-Y591 HydrophobicContact CG2-CE1 4.49Å; I589-Y591 HydrophobicContact CG2-CE2 3.48Å; I589-Y591 VanDerWaalsContact CG2-CE2 3.48Å
590	C	97.1	Very high	91.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.9	173.1	-169.9	0	0	0	0	111	V361 K362 T363 Y364 V545 S579	V361-C590 HydrophobicContact CG1-CB 3.99Å; K362-C590 PolarHBondContact O-N 3.09Å; T363-C590 CarbonylContact C-O 3.44Å; T363-C590 WeakPolarHBondContact CA-O 3.32Å; Y364-C590 PolarHBondContact N-O 2.71Å; V545-C590 HydrophobicContact CB-CB 4.3Å; V545-C590 CarbonylContact O-C 3.45Å; V545-C590 WeakPolarHBondContact O-CA 3.22Å; S579-C590 PolarHBondContact OG-SG 2.83Å
591	Y	97.2	Very high	91.4	Very high	10 Å²	10	32.1 Å²	32.1	4%	0.039	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	100.4	175.5	-64.3	-90.7	0	0	0	109.2	Y364 V369 I457 Y544 V545 I546 D547 I589	Y364-Y591 HydrophobicContact CD2-CD1 4.13Å; Y364-Y591 AromaticContact CD2-CE1 3.76Å; Y364-Y591 HydrophobicContact CD2-CE1 3.76Å; Y364-Y591 HydrophobicContact CE2-CE1 4.28Å; Y364-Y591 HydrophobicContact CG-CD1 4.31Å; Y364-Y591 HydrophobicContact CG-CE1 4.2Å; V369-Y591 HydrophobicContact CG2-CD1 3.94Å; I457-Y591 HydrophobicContact CD1-CD2 3.68Å; I457-Y591 HydrophobicContact CD1-CE2 3.5Å; I457-Y591 HydrophobicContact CG1-CD2 4.38Å; I457-Y591 HydrophobicContact CG1-CE2 3.76Å; Y544-Y591 HydrophobicContact CD1-CE2 4.32Å; V545-Y591 PolarHBondContact O-N 3.26Å; I546-Y591 WeakPolarHBondContact CA-O 3.28Å; I546-Y591 HydrophobicContact CG1-CD2 4.5Å; D547-Y591 PolarHBondContact N-O 3.38Å; I589-Y591 HydrophobicContact CB-CE2 4.22Å; I589-Y591 HydrophobicContact CG2-CD2 4.05Å; I589-Y591 HydrophobicContact CG2-CE1 4.49Å; I589-Y591 HydrophobicContact CG2-CE2 3.48Å; I589-Y591 VanDerWaalsContact CG2-CE2 3.48Å
592	H	95.7	Very high	91.4	Very high	5 Å²	5	33.5 Å²	33.5	2%	0.023	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	118.6	171.9	-70.2	-49.7	0	0	0	109.9	T363 Y364 Y365 L366 D547 S579 F594	T363-H592 WeakPolarHBondContact CG2-CD2 3.21Å; Y364-H592 PolarHBondContact O-N 2.8Å; Y365-H592 CarbonylContact C-O 3.59Å; Y365-H592 HydrophobicContact CD1-CB 4.05Å; Y365-H592 HydrophobicContact CE1-CB 4.48Å; Y365-H592 AromaticContact CE1-CD2 3.91Å; L366-H592 PolarHBondContact N-O 2.97Å; D547-H592 IonicContact OD2-CE1 2.93Å; D547-H592 IonicContact OD2-ND1 2.74Å; D547-H592 PolarHBondContact OD2-ND1 3.3Å; S579-H592 PolarHBondContact OG-CE1 2.94Å; S579-H592 PolarHBondContact OG-NE2 3.06Å; H592-F594 HydrophobicContact CB-CD1 3.96Å; H592-F594 HydrophobicContact CB-CD2 4.13Å; H592-F594 HydrophobicContact CB-CE1 3.57Å; H592-F594 HydrophobicContact CB-CE2 3.73Å; H592-F594 HydrophobicContact CB-CG 4.26Å; H592-F594 HydrophobicContact CB-CZ 3.46Å; H592-F594 VanDerWaalsContact CB-CZ 3.46Å; H592-F594 AromaticContact CD2-CZ 3.91Å; H592-F594 AromaticContact CE1-CZ 3.84Å; H592-F594 AromaticContact CG-CE1 3.66Å; H592-F594 AromaticContact CG-CE2 3.81Å; H592-F594 AromaticContact CG-CZ 3.25Å; H592-F594 AromaticContact ND1-CE1 3.42Å; H592-F594 WeakPolarHBondContact ND1-CE1 3.44Å; H592-F594 AromaticContact ND1-CZ 3.19Å; H592-F594 WeakPolarHBondContact ND1-CZ 3.47Å; H592-F594 PolarHBondContact O-N 3.03Å
593	L	94.7	Very high	91.3	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	18%	0.18	C	C	.	.	S	Bend	trans	-84.9	33.2	178.2	-52.5	-173.1	0	0	0	112.4	V369 L449 I450 I546 D547	V369-L593 HydrophobicContact CG1-CD2 4.04Å; V369-L593 HydrophobicContact CG2-CD2 4.16Å; L449-L593 HydrophobicContact CD2-CB 4.23Å; L449-L593 HydrophobicContact CD2-CD1 4.28Å; L449-L593 HydrophobicContact CD2-CD2 4.2Å; L449-L593 HydrophobicContact CD2-CG 4.48Å; L449-L593 HydrophobicContact CG-CD1 4.2Å; L449-L593 HydrophobicContact CG-CD2 4.26Å; I450-L593 HydrophobicContact CB-CD1 4.38Å; I450-L593 HydrophobicContact CD1-CD1 4.5Å; I450-L593 HydrophobicContact CG1-CD1 3.43Å; I450-L593 VanDerWaalsContact CG1-CD1 3.43Å; I546-L593 HydrophobicContact CG2-CD1 3.73Å; I546-L593 HydrophobicContact CG2-CD2 4.29Å; I546-L593 HydrophobicContact CG2-CG 3.94Å; D547-L593 PolarHBondContact O-N 2.88Å
594	F	92.7	Very high	91.5	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.018	20%	0.199	C	C	.	.	S	Bend	trans	-133.7	149.5	172.6	49.4	-92.2	0	0	0	109.6	Y365 L366 A575 H592 Y599 M603	Y365-F594 HydrophobicContact CD1-CD2 4.38Å; Y365-F594 HydrophobicContact CD1-CE2 4.26Å; Y365-F594 HydrophobicContact CE1-CE2 4.12Å; L366-F594 VanDerWaalsContact CB-C 3.41Å; L366-F594 WeakPolarHBondContact CB-O 3.42Å; L366-F594 PolarHBondContact N-O 2.95Å; A575-F594 HydrophobicContact CB-CZ 4.23Å; H592-F594 HydrophobicContact CB-CD1 3.96Å; H592-F594 HydrophobicContact CB-CD2 4.13Å; H592-F594 HydrophobicContact CB-CE1 3.57Å; H592-F594 HydrophobicContact CB-CE2 3.73Å; H592-F594 HydrophobicContact CB-CG 4.26Å; H592-F594 HydrophobicContact CB-CZ 3.46Å; H592-F594 VanDerWaalsContact CB-CZ 3.46Å; H592-F594 AromaticContact CD2-CZ 3.91Å; H592-F594 AromaticContact CE1-CZ 3.84Å; H592-F594 AromaticContact CG-CE1 3.66Å; H592-F594 AromaticContact CG-CE2 3.81Å; H592-F594 AromaticContact CG-CZ 3.25Å; H592-F594 AromaticContact ND1-CE1 3.42Å; H592-F594 WeakPolarHBondContact ND1-CE1 3.44Å; H592-F594 AromaticContact ND1-CZ 3.19Å; H592-F594 WeakPolarHBondContact ND1-CZ 3.47Å; H592-F594 PolarHBondContact O-N 3.03Å; F594-Y599 AromaticContact CE2-CD2 3.98Å; F594-Y599 HydrophobicContact CE2-CD2 3.98Å; F594-Y599 HydrophobicContact CE2-CG 4.42Å; F594-M603 HydrophobicContact CB-CE 4.5Å; F594-M603 HydrophobicContact CD1-CE 3.93Å; F594-M603 HydrophobicContact CD2-CE 3.59Å; F594-M603 HydrophobicContact CD2-SD 4.29Å; F594-M603 HydrophobicContact CE1-CE 3.9Å; F594-M603 HydrophobicContact CE2-CE 3.58Å; F594-M603 HydrophobicContact CE2-SD 3.9Å; F594-M603 HydrophobicContact CG-CE 3.74Å; F594-M603 HydrophobicContact CZ-CE 3.7Å; F594-M603 HydrophobicContact CZ-SD 4.22Å
595	P	93.4	Very high	91.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.209	C	C	.	.			trans	-61.3	148.6	-179.8	-24.5	33.7	0	0	0	113.5	L366 E367 W421 L436 Y597 V598 Y599	L366-P595 HydrophobicContact CD2-CG 4.17Å; E367-P595 WeakPolarHBondContact OE2-CA 3.49Å; W421-P595 HydrophobicContact CH2-CB 3.64Å; W421-P595 HydrophobicContact CZ2-CB 4.15Å; W421-P595 HydrophobicContact CZ3-CB 4.32Å; L436-P595 HydrophobicContact CD2-CG 4.14Å; P595-Y597 PolarHBondContact O-N 2.92Å; P595-V598 HydrophobicContact CB-CB 4.46Å; P595-V598 HydrophobicContact CB-CG2 4.08Å; P595-V598 HydrophobicContact CG-CG2 3.93Å; P595-V598 WeakPolarHBondContact O-CB 3.09Å; P595-V598 PolarHBondContact O-N 3.12Å; P595-Y599 PolarHBondContact O-N 3.47Å
596	S	94.8	Very high	92.3	Very high	16 Å²	16	37 Å²	37	11%	0.112	20%	0.198	C	C	.	.	H	α-helix	trans	-58.2	-31.5	169.7	61.3	0	0	0	0	112.1	E367 W421 V598 Y599 N600	E367-S596 WeakPolarHBondContact OE1-CB 3.42Å; E367-S596 PolarHBondContact OE1-N 3.33Å; E367-S596 PolarHBondContact OE1-OG 3.13Å; E367-S596 PolarHBondContact OE2-N 2.8Å; W421-S596 WeakPolarHBondContact CZ2-OG 3.34Å; W421-S596 PolarHBondContact NE1-OG 2.89Å; S596-V598 VanDerWaalsContact C-N 3.31Å; S596-V598 PolarHBondContact O-N 3.39Å; S596-Y599 PolarHBondContact O-N 3.44Å; S596-N600 WeakPolarHBondContact O-CB 3.11Å; S596-N600 PolarHBondContact O-N 3Å; S596-N600 PolarHBondContact O-ND2 3.35Å; S596-N600 VanDerWaalsContact O-ND2 3.13Å
597	Y	93.2	Very high	92.2	Very high	22 Å²	22	35.2 Å²	35.2	9%	0.086	19%	0.191	C	C	.	.	H	α-helix	trans	-58.4	-42.1	172.6	-173.7	-85	0	0	0	112.5	Y412 S415 E417 F418 W421 P595 N600 N601 V602	Y412-Y597 HydrophobicContact CD2-CD1 4.27Å; Y412-Y597 HydrophobicContact CD2-CE1 4.34Å; Y412-Y597 HydrophobicContact CG-CE1 4.4Å; S415-Y597 PolarHBondContact OG-OH 3.05Å; E417-Y597 HydrophobicContact CB-CE2 4.4Å; F418-Y597 HydrophobicContact CB-CE1 4.1Å; F418-Y597 HydrophobicContact CB-CE2 4.18Å; F418-Y597 AromaticContact CD2-CD1 3.65Å; F418-Y597 HydrophobicContact CD2-CD1 3.65Å; F418-Y597 HydrophobicContact CD2-CD2 4.28Å; F418-Y597 AromaticContact CD2-CE1 3.97Å; F418-Y597 HydrophobicContact CD2-CE1 3.97Å; F418-Y597 AromaticContact CD2-CG 3.82Å; F418-Y597 HydrophobicContact CD2-CG 3.82Å; F418-Y597 HydrophobicContact CE2-CD1 4.41Å; F418-Y597 HydrophobicContact CE2-CG 4.5Å; W421-Y597 HydrophobicContact CB-CD2 3.7Å; W421-Y597 HydrophobicContact CB-CE2 4.23Å; W421-Y597 HydrophobicContact CD2-CD2 4.01Å; W421-Y597 HydrophobicContact CD2-CG 4.17Å; W421-Y597 HydrophobicContact CE3-CD2 4.35Å; W421-Y597 HydrophobicContact CE3-CG 4.27Å; W421-Y597 AromaticContact CG-CD2 3.71Å; W421-Y597 HydrophobicContact CG-CD2 3.71Å; W421-Y597 HydrophobicContact CG-CG 4.33Å; P595-Y597 PolarHBondContact O-N 2.92Å; Y597-N600 PolarHBondContact O-N 2.94Å; Y597-N601 HydrophobicContact CD1-CB 4.34Å; Y597-N601 WeakPolarHBondContact CD2-ND2 3.25Å; Y597-N601 HydrophobicContact CE1-CB 4Å; Y597-N601 HydrophobicContact CE2-CB 4.49Å; Y597-N601 VanDerWaalsContact O-CB 3.32Å; Y597-N601 WeakPolarHBondContact O-CB 3.45Å; Y597-N601 PolarHBondContact O-N 3.48Å; Y597-N601 PolarHBondContact O-ND2 3.33Å; Y597-V602 HydrophobicContact CD1-CG2 4.48Å; Y597-V602 HydrophobicContact CE1-CG2 4.36Å
598	V	91.8	Very high	91.9	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.012	19%	0.192	C	C	.	.	H	α-helix	trans	-67.6	-43	179.6	172.5	0	0	0	0	110	Y412 L569 P595 S596 N600 V602 M603	Y412-V598 HydrophobicContact CD2-CG2 4.49Å; Y412-V598 HydrophobicContact CE1-CG2 3.94Å; Y412-V598 HydrophobicContact CE2-CG2 3.8Å; Y412-V598 VanDerWaalsContact CZ-CG2 3.46Å; Y412-V598 WeakPolarHBondContact OH-CG2 3.44Å; L569-V598 HydrophobicContact CD1-CG1 3.86Å; L569-V598 HydrophobicContact CD2-CG1 4.43Å; P595-V598 HydrophobicContact CB-CB 4.46Å; P595-V598 HydrophobicContact CB-CG2 4.08Å; P595-V598 HydrophobicContact CG-CG2 3.93Å; P595-V598 WeakPolarHBondContact O-CB 3.09Å; P595-V598 PolarHBondContact O-N 3.12Å; S596-V598 VanDerWaalsContact C-N 3.31Å; S596-V598 PolarHBondContact O-N 3.39Å; V598-N600 PolarHBondContact O-N 3.5Å; V598-V602 HydrophobicContact CG1-CB 4.12Å; V598-V602 CarbonylContact O-C 3.51Å; V598-V602 WeakPolarHBondContact O-CA 3.25Å; V598-V602 WeakPolarHBondContact O-CB 3.33Å; V598-V602 PolarHBondContact O-N 3.31Å; V598-M603 HydrophobicContact CG1-CE 4.33Å; V598-M603 HydrophobicContact CG1-CG 4.26Å; V598-M603 PolarHBondContact O-N 3.47Å
599	Y	92.7	Very high	91.6	Very high	47 Å²	47	37.2 Å²	37.2	18%	0.184	19%	0.194	C	C	.	.	H	α-helix	trans	-58.6	-48.4	175	-178	-96.9	0	0	0	112.1	Y365 K572 A575 F594 P595 S596 M603	Y365-Y599 HydrophobicContact CE1-CD1 4.3Å; Y365-Y599 HydrophobicContact CE1-CD2 4.37Å; Y365-Y599 AromaticContact CE1-CG 3.88Å; Y365-Y599 HydrophobicContact CE1-CG 3.88Å; Y365-Y599 WeakPolarHBondContact OH-CD1 3.28Å; K572-Y599 HydrophobicContact CB-CE2 3.94Å; K572-Y599 HydrophobicContact CD-CE1 4.38Å; K572-Y599 HydrophobicContact CD-CE2 4.49Å; K572-Y599 WeakPolarHBondContact CE-O 3.36Å; K572-Y599 HydrophobicContact CG-CD2 4.25Å; K572-Y599 HydrophobicContact CG-CE2 3.85Å; A575-Y599 HydrophobicContact CB-CE2 4.26Å; F594-Y599 AromaticContact CE2-CD2 3.98Å; F594-Y599 HydrophobicContact CE2-CD2 3.98Å; F594-Y599 HydrophobicContact CE2-CG 4.42Å; P595-Y599 PolarHBondContact O-N 3.47Å; S596-Y599 PolarHBondContact O-N 3.44Å; Y599-M603 HydrophobicContact CD2-SD 3.92Å
600	N	92.8	Very high	91.2	Very high	95 Å²	95	37.4 Å²	37.4	51%	0.508	19%	0.194	S	C	.	.	H	α-helix	trans	-77.3	-34.7	-173.6	-70.1	-37.4	0	0	0	113.9	S596 Y597 V598	S596-N600 WeakPolarHBondContact O-CB 3.11Å; S596-N600 PolarHBondContact O-N 3Å; S596-N600 PolarHBondContact O-ND2 3.35Å; S596-N600 VanDerWaalsContact O-ND2 3.13Å; Y597-N600 PolarHBondContact O-N 2.94Å; V598-N600 PolarHBondContact O-N 3.5Å
601	N	90.2	Very high	90.8	Very high	104 Å²	104	37.5 Å²	37.5	56%	0.556	19%	0.194	S	C	*	.	H	α-helix	trans	-118.8	-9.8	-166.6	-52.5	-82.8	0	0	0	114.6	Y597	Y597-N601 HydrophobicContact CD1-CB 4.34Å; Y597-N601 WeakPolarHBondContact CD2-ND2 3.25Å; Y597-N601 HydrophobicContact CE1-CB 4Å; Y597-N601 HydrophobicContact CE2-CB 4.49Å; Y597-N601 VanDerWaalsContact O-CB 3.32Å; Y597-N601 WeakPolarHBondContact O-CB 3.45Å; Y597-N601 PolarHBondContact O-N 3.48Å; Y597-N601 PolarHBondContact O-ND2 3.33Å
602	V	87.5	Confident	90.4	Very high	44 Å²	44	39.4 Å²	39.4	27%	0.267	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.7	-43.3	-172.4	-175.2	0	0	0	0	112.4	Y412 E441 L569 Y597 V598 S604	Y412-V602 HydrophobicContact CD1-CG1 4.47Å; Y412-V602 HydrophobicContact CD1-CG2 3.95Å; Y412-V602 HydrophobicContact CG-CG2 4.19Å; E441-V602 HydrophobicContact CG-CG1 4.14Å; L569-V602 HydrophobicContact CD1-CG1 4.07Å; Y597-V602 HydrophobicContact CD1-CG2 4.48Å; Y597-V602 HydrophobicContact CE1-CG2 4.36Å; V598-V602 HydrophobicContact CG1-CB 4.12Å; V598-V602 CarbonylContact O-C 3.51Å; V598-V602 WeakPolarHBondContact O-CA 3.25Å; V598-V602 WeakPolarHBondContact O-CB 3.33Å; V598-V602 PolarHBondContact O-N 3.31Å; V602-S604 PolarHBondContact O-N 2.88Å
603	M	89.7	Confident	89.9	Confident	9 Å²	9	41.3 Å²	41.3	4%	0.044	21%	0.212	C	C	.	.	S	Bend	trans	-65.4	132.6	178.4	-72	-177.8	169.9	0	0	111	L569 V570 K572 F594 V598 Y599	L569-M603 HydrophobicContact CD2-CE 4.13Å; V570-M603 HydrophobicContact CG2-CE 3.94Å; V570-M603 HydrophobicContact CG2-SD 4.43Å; V570-M603 WeakPolarHBondContact O-CG 3.33Å; K572-M603 WeakPolarHBondContact CE-O 3.43Å; K572-M603 HydrophobicContact CG-CB 4.07Å; F594-M603 HydrophobicContact CB-CE 4.5Å; F594-M603 HydrophobicContact CD1-CE 3.93Å; F594-M603 HydrophobicContact CD2-CE 3.59Å; F594-M603 HydrophobicContact CD2-SD 4.29Å; F594-M603 HydrophobicContact CE1-CE 3.9Å; F594-M603 HydrophobicContact CE2-CE 3.58Å; F594-M603 HydrophobicContact CE2-SD 3.9Å; F594-M603 HydrophobicContact CG-CE 3.74Å; F594-M603 HydrophobicContact CZ-CE 3.7Å; F594-M603 HydrophobicContact CZ-SD 4.22Å; V598-M603 HydrophobicContact CG1-CE 4.33Å; V598-M603 HydrophobicContact CG1-CG 4.26Å; V598-M603 PolarHBondContact O-N 3.47Å; Y599-M603 HydrophobicContact CD2-SD 3.92Å
604	S	89.7	Confident	89.4	Confident	62 Å²	62	42.9 Å²	42.9	43%	0.434	22%	0.222	S	C	.	.			trans	-68.2	154.9	169.4	59.1	0	0	0	0	110.5	S571 K572 V602 F606	S571-S604 CarbonylContact C-O 3.55Å; S571-S604 VanDerWaalsContact CA-O 3.23Å; S571-S604 WeakPolarHBondContact CA-O 3.48Å; S571-S604 VanDerWaalsContact CB-O 3.3Å; S571-S604 WeakPolarHBondContact CB-O 3.35Å; K572-S604 PolarHBondContact N-O 2.95Å; V602-S604 PolarHBondContact O-N 2.88Å; S604-F606 VanDerWaalsContact C-N 3.29Å; S604-F606 WeakPolarHBondContact CB-O 3.4Å; S604-F606 PolarHBondContact O-N 3.39Å; S604-F606 PolarHBondContact OG-O 3.42Å
605	D	87.2	Confident	89.1	Confident	76 Å²	76	44.7 Å²	44.7	41%	0.406	23%	0.228	S	C	.	.	S	Bend	trans	-67.1	-35.2	177.3	-61.1	-36.6	0	0	0	111.3	K572 A573	K572-D605 WeakPolarHBondContact CD-OD1 3.41Å; K572-D605 WeakPolarHBondContact CE-OD1 3.37Å; K572-D605 IonicContact NZ-OD1 3.92Å; K572-D605 PolarHBondContact NZ-OD1 2.83Å; A573-D605 WeakPolarHBondContact CB-O 3.44Å; A573-D605 PolarHBondContact N-O 2.66Å; A573-D605 VanDerWaalsContact N-O 3.16Å
606	F	85.6	Confident	88.9	Confident	74 Å²	74	44.8 Å²	44.8	33%	0.325	23%	0.229	S	C	.	.	S	Bend	trans	-135.2	160.6	177.3	-42.4	-76.1	0	0	0	112.3	I337 N338 S571 A573 S604	I337-F606 HydrophobicContact CB-CE1 3.81Å; I337-F606 HydrophobicContact CB-CZ 4.11Å; I337-F606 HydrophobicContact CG2-CD1 4.45Å; I337-F606 HydrophobicContact CG2-CE1 3.33Å; I337-F606 HydrophobicContact CG2-CE2 4.32Å; I337-F606 HydrophobicContact CG2-CZ 3.27Å; I337-F606 WeakPolarHBondContact O-CZ 3.22Å; N338-F606 HydrophobicContact CB-CD1 4.06Å; N338-F606 HydrophobicContact CB-CE1 3.51Å; N338-F606 HydrophobicContact CB-CZ 4.17Å; S571-F606 VanDerWaalsContact CB-CA 3.48Å; A573-F606 HydrophobicContact CB-CD1 4.01Å; A573-F606 HydrophobicContact CB-CE1 4.4Å; S604-F606 VanDerWaalsContact C-N 3.29Å; S604-F606 WeakPolarHBondContact CB-O 3.4Å; S604-F606 PolarHBondContact O-N 3.39Å; S604-F606 PolarHBondContact OG-O 3.42Å
607	L	86.4	Confident	88.8	Confident	50 Å²	50	44.5 Å²	44.5	26%	0.262	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-78.7	159	165.6	-70.1	175.9	0	0	0	110.7	I551 I568 N574	I551-L607 HydrophobicContact CG2-CD1 4.43Å; I568-L607 HydrophobicContact CD1-CD2 3.94Å; N574-L607 WeakPolarHBondContact OD1-CD1 3.14Å; N574-L607 VanDerWaalsContact OD1-CG 3.23Å; N574-L607 WeakPolarHBondContact OD1-CG 3.44Å
608	Q	85.4	Confident	88.4	Confident	109 Å²	109	46.6 Å²	46.6	51%	0.509	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-64.4	138.7	173.4	-167.4	179.3	22.8	0	0	110.5	L612	Q608-L612 HydrophobicContact CG-CB 3.92Å; Q608-L612 HydrophobicContact CG-CD1 3.9Å; Q608-L612 HydrophobicContact CG-CG 4.45Å
609	P	89.1	Confident	88.1	Confident	12 Å²	12	46.6 Å²	46.6	8%	0.078	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-54.7	147.4	176	-26	33.8	0	0	0	113.1	R307 M611 L612 D640	R307-P609 HydrophobicContact CB-CB 4.13Å; R307-P609 HydrophobicContact CB-CG 4.49Å; P609-M611 VanDerWaalsContact C-N 3.32Å; P609-M611 PolarHBondContact O-N 3.41Å; P609-L612 HydrophobicContact CB-CG 4.46Å; P609-L612 HydrophobicContact CG-CD1 4.43Å; P609-L612 PolarHBondContact O-N 3.43Å; P609-L612 VanDerWaalsContact O-N 3.16Å; P609-D640 HydrophobicContact CG-CB 4.3Å; P609-D640 WeakPolarHBondContact CG-OD2 3.47Å
610	E	88.6	Confident	88	Confident	44 Å²	44	44.4 Å²	44.4	21%	0.206	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-59.6	-40.9	-177	-176.8	161.3	-123.5	0	0	113.6	R307 E308 F309 L612 R613 V614	R307-E610 WeakPolarHBondContact O-CB 3.42Å; R307-E610 PolarHBondContact O-N 2.9Å; E308-E610 WeakPolarHBondContact CA-OE2 3.34Å; E308-E610 WeakPolarHBondContact CG-OE2 3.45Å; F309-E610 HydrophobicContact CB-CB 4.46Å; F309-E610 HydrophobicContact CB-CG 4.33Å; F309-E610 PolarHBondContact N-OE2 3.09Å; F309-E610 VanDerWaalsContact N-OE2 3.13Å; E610-L612 PolarHBondContact O-N 3.34Å; E610-R613 VanDerWaalsContact CD-NH2 3.31Å; E610-R613 VanDerWaalsContact CG-NH2 3.33Å; E610-R613 WeakPolarHBondContact O-CG 3.38Å; E610-R613 PolarHBondContact O-N 3.19Å; E610-R613 IonicContact OE1-CZ 2.67Å; E610-R613 IonicContact OE1-NH1 3.19Å; E610-R613 IonicContact OE1-NH2 3.16Å; E610-R613 PolarHBondContact OE1-NH2 3.02Å; E610-V614 HydrophobicContact CG-CB 4.49Å; E610-V614 HydrophobicContact CG-CG1 3.6Å; E610-V614 HydrophobicContact CG-CG2 4.08Å; E610-V614 WeakPolarHBondContact O-CG2 3.19Å; E610-V614 PolarHBondContact O-N 3.11Å
611	M	88.1	Confident	88	Confident	2 Å²	2	40 Å²	40	1%	0.01	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-58	-22.1	-179.8	-170.7	164	57.3	0	0	113.5	F309 P609 L616 V619 L635 C638 D640 P642	F309-M611 HydrophobicContact CD2-CB 4.22Å; F309-M611 HydrophobicContact CD2-CG 4.07Å; F309-M611 HydrophobicContact CD2-SD 3.86Å; F309-M611 HydrophobicContact CE2-SD 4.1Å; P609-M611 VanDerWaalsContact C-N 3.32Å; P609-M611 PolarHBondContact O-N 3.41Å; M611-L616 HydrophobicContact CG-CD2 3.98Å; M611-L616 WeakPolarHBondContact O-CD2 3.38Å; M611-V619 HydrophobicContact SD-CG1 4.49Å; M611-L635 HydrophobicContact SD-CD2 3.73Å; M611-C638 HydrophobicContact CE-CB 3.85Å; M611-D640 WeakPolarHBondContact CE-O 3.27Å; M611-P642 HydrophobicContact CG-CG 4.4Å
612	L	88.4	Confident	87.6	Confident	50 Å²	50	38.1 Å²	38.1	26%	0.262	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-90.7	-8.2	178.6	-54.5	-174.3	0	0	0	114	Q608 P609 E610 D640 S641 P642	Q608-L612 HydrophobicContact CG-CB 3.92Å; Q608-L612 HydrophobicContact CG-CD1 3.9Å; Q608-L612 HydrophobicContact CG-CG 4.45Å; P609-L612 HydrophobicContact CB-CG 4.46Å; P609-L612 HydrophobicContact CG-CD1 4.43Å; P609-L612 PolarHBondContact O-N 3.43Å; P609-L612 VanDerWaalsContact O-N 3.16Å; E610-L612 PolarHBondContact O-N 3.34Å; L612-D640 HydrophobicContact CD1-CB 4.25Å; L612-S641 WeakPolarHBondContact CD2-O 3.08Å; L612-P642 HydrophobicContact CD2-CB 4.26Å
613	R	86	Confident	87.6	Confident	45 Å²	45	36 Å²	36	17%	0.17	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124	-0.4	-172.5	62.3	176	-174.8	77.4	10.8	114.2	T554 D555 Y556 E610	T554-R613 PolarHBondContact O-NH1 3.09Å; T554-R613 PolarHBondContact OG1-NH1 3.23Å; T554-R613 VanDerWaalsContact OG1-NH1 3.07Å; D555-R613 CarbonylContact C-O 3.38Å; D555-R613 WeakPolarHBondContact CA-O 3.44Å; Y556-R613 WeakPolarHBondContact CB-O 3.43Å; Y556-R613 PolarHBondContact N-O 3.05Å; Y556-R613 VanDerWaalsContact N-O 3.13Å; E610-R613 VanDerWaalsContact CD-NH2 3.31Å; E610-R613 VanDerWaalsContact CG-NH2 3.33Å; E610-R613 WeakPolarHBondContact O-CG 3.38Å; E610-R613 PolarHBondContact O-N 3.19Å; E610-R613 IonicContact OE1-CZ 2.67Å; E610-R613 IonicContact OE1-NH1 3.19Å; E610-R613 IonicContact OE1-NH2 3.16Å; E610-R613 PolarHBondContact OE1-NH2 3.02Å
614	V	84.5	Confident	87.5	Confident	34 Å²	34	37.1 Å²	37.1	21%	0.206	18%	0.183	C	C	.	.	S	Bend	trans	-119.3	167.3	179.3	-57.7	0	0	0	0	111.8	E610	E610-V614 HydrophobicContact CG-CB 4.49Å; E610-V614 HydrophobicContact CG-CG1 3.6Å; E610-V614 HydrophobicContact CG-CG2 4.08Å; E610-V614 WeakPolarHBondContact O-CG2 3.19Å; E610-V614 PolarHBondContact O-N 3.11Å
615	R	86	Confident	87.2	Confident	41 Å²	41	35.2 Å²	35.2	16%	0.155	17%	0.168	C	C	.	.			trans	-68.6	142.9	170.6	-58.6	-166.9	-174.8	167	-9.5	109.8	Y556 E617	Y556-R615 HydrophobicContact CD1-CG 4.24Å; Y556-R615 HydrophobicContact CD2-CG 3.73Å; Y556-R615 HydrophobicContact CE1-CG 4.16Å; Y556-R615 HydrophobicContact CE2-CG 3.66Å; Y556-R615 HydrophobicContact CG-CG 4.04Å; R615-E617 VanDerWaalsContact C-N 3.32Å; R615-E617 HydrophobicContact CB-CG 4.35Å; R615-E617 WeakPolarHBondContact CD-OE1 3.4Å; R615-E617 IonicContact NE-OE1 2.94Å; R615-E617 IonicContact NH1-OE1 3.36Å; R615-E617 PolarHBondContact O-N 3.29Å
616	L	89.6	Confident	86.9	Confident	2 Å²	2	32.2 Å²	32.2	1%	0.01	15%	0.152	C	C	.	.	S	Bend	trans	-92.4	11.8	-174	-57.6	174.4	0	0	0	113.1	M611 V619 I620 P642 A646 I647 T650	M611-L616 HydrophobicContact CG-CD2 3.98Å; M611-L616 WeakPolarHBondContact O-CD2 3.38Å; L616-V619 HydrophobicContact CB-CB 4.24Å; L616-V619 HydrophobicContact CB-CG2 4.29Å; L616-V619 HydrophobicContact CD2-CB 4.41Å; L616-V619 HydrophobicContact CD2-CG2 3.91Å; L616-V619 VanDerWaalsContact O-CB 3.29Å; L616-V619 WeakPolarHBondContact O-CB 3.39Å; L616-V619 PolarHBondContact O-N 3.07Å; L616-V619 VanDerWaalsContact O-N 3.15Å; L616-I620 HydrophobicContact CB-CD1 4.27Å; L616-I620 HydrophobicContact CB-CG1 4.26Å; L616-I620 WeakPolarHBondContact O-CB 3.46Å; L616-I620 VanDerWaalsContact O-CG1 3.29Å; L616-I620 WeakPolarHBondContact O-CG1 3.45Å; L616-I620 PolarHBondContact O-N 3.21Å; L616-P642 HydrophobicContact CD1-CB 3.69Å; L616-P642 HydrophobicContact CD1-CG 3.71Å; L616-P642 HydrophobicContact CD2-CB 4.27Å; L616-P642 HydrophobicContact CD2-CG 4.24Å; L616-A646 HydrophobicContact CD1-CB 4.02Å; L616-I647 HydrophobicContact CD1-CG1 3.98Å; L616-T650 VanDerWaalsContact C-CG2 3.41Å; L616-T650 HydrophobicContact CB-CG2 3.88Å
617	E	91.6	Very high	86.6	Confident	10 Å²	10	30.1 Å²	30.1	5%	0.047	15%	0.151	C	C	.	.	H	α-helix	trans	-60.1	-56.7	-171.3	-61.8	163.8	-150.3	0	0	111	R615 V619 I620 L621 T650 F653 L654 P740	R615-E617 VanDerWaalsContact C-N 3.32Å; R615-E617 HydrophobicContact CB-CG 4.35Å; R615-E617 WeakPolarHBondContact CD-OE1 3.4Å; R615-E617 IonicContact NE-OE1 2.94Å; R615-E617 IonicContact NH1-OE1 3.36Å; R615-E617 PolarHBondContact O-N 3.29Å; E617-V619 PolarHBondContact O-N 3.47Å; E617-I620 PolarHBondContact O-N 3.05Å; E617-L621 WeakPolarHBondContact O-CB 3.5Å; E617-L621 WeakPolarHBondContact O-CG 3.37Å; E617-L621 PolarHBondContact O-N 3.24Å; E617-T650 HydrophobicContact CB-CG2 4.34Å; E617-T650 HydrophobicContact CG-CG2 3.86Å; E617-F653 HydrophobicContact CG-CD1 3.77Å; E617-F653 HydrophobicContact CG-CE1 3.85Å; E617-F653 WeakPolarHBondContact OE2-CE1 3.4Å; E617-L654 HydrophobicContact CB-CD2 4.14Å; E617-L654 HydrophobicContact CG-CD2 4.48Å; E617-P740 HydrophobicContact CB-CG 4.33Å
618	D	85	Confident	86.4	Confident	67 Å²	67	28.1 Å²	28.1	36%	0.358	14%	0.141	S	C	.	.	H	α-helix	trans	-62.1	-31.1	175.2	-69.5	-21.1	0	0	0	112.6	R622 P740	D618-R622 WeakPolarHBondContact O-CB 3.41Å; D618-R622 WeakPolarHBondContact O-CD 3.45Å; D618-R622 WeakPolarHBondContact O-CG 3.35Å; D618-R622 PolarHBondContact O-N 3.02Å; D618-R622 VanDerWaalsContact O-N 3.11Å; D618-P740 WeakPolarHBondContact OD1-CD 3.49Å
619	V	86.4	Confident	86.2	Confident	2 Å²	2	25.1 Å²	25.1	1%	0.012	14%	0.139	C	C	.	.	H	α-helix	trans	-63.5	-56.6	178.7	179.1	0	0	0	0	109.6	F309 M611 L616 E617 R622 I623 L635	F309-V619 HydrophobicContact CD1-CG2 3.82Å; F309-V619 HydrophobicContact CD2-CB 4.34Å; F309-V619 HydrophobicContact CD2-CG1 4.09Å; F309-V619 HydrophobicContact CD2-CG2 3.57Å; F309-V619 HydrophobicContact CE1-CB 4.08Å; F309-V619 HydrophobicContact CE1-CG1 4.46Å; F309-V619 HydrophobicContact CE1-CG2 3.58Å; F309-V619 HydrophobicContact CE2-CB 3.66Å; F309-V619 HydrophobicContact CE2-CG1 3.2Å; F309-V619 HydrophobicContact CE2-CG2 3.38Å; F309-V619 HydrophobicContact CG-CG2 3.84Å; F309-V619 VanDerWaalsContact CZ-CA 3.43Å; F309-V619 HydrophobicContact CZ-CB 3.53Å; F309-V619 HydrophobicContact CZ-CG1 3.46Å; F309-V619 VanDerWaalsContact CZ-CG1 3.46Å; F309-V619 HydrophobicContact CZ-CG2 3.41Å; F309-V619 VanDerWaalsContact CZ-CG2 3.41Å; M611-V619 HydrophobicContact SD-CG1 4.49Å; L616-V619 HydrophobicContact CB-CB 4.24Å; L616-V619 HydrophobicContact CB-CG2 4.29Å; L616-V619 HydrophobicContact CD2-CB 4.41Å; L616-V619 HydrophobicContact CD2-CG2 3.91Å; L616-V619 VanDerWaalsContact O-CB 3.29Å; L616-V619 WeakPolarHBondContact O-CB 3.39Å; L616-V619 PolarHBondContact O-N 3.07Å; L616-V619 VanDerWaalsContact O-N 3.15Å; E617-V619 PolarHBondContact O-N 3.47Å; V619-R622 PolarHBondContact O-N 3.16Å; V619-I623 HydrophobicContact CG1-CD1 4.2Å; V619-I623 WeakPolarHBondContact O-CG1 3.19Å; V619-I623 PolarHBondContact O-N 2.93Å; V619-L635 HydrophobicContact CG1-CD2 3.82Å
620	I	91.5	Very high	86.1	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-65.8	-42.6	-176.2	-66.7	-176	0	0	0	110.7	L616 E617 R622 I623 K624 V631 I647 T650 L651 L654 L660	L616-I620 HydrophobicContact CB-CD1 4.27Å; L616-I620 HydrophobicContact CB-CG1 4.26Å; L616-I620 WeakPolarHBondContact O-CB 3.46Å; L616-I620 VanDerWaalsContact O-CG1 3.29Å; L616-I620 WeakPolarHBondContact O-CG1 3.45Å; L616-I620 PolarHBondContact O-N 3.21Å; E617-I620 PolarHBondContact O-N 3.05Å; I620-R622 VanDerWaalsContact C-N 3.27Å; I620-R622 PolarHBondContact O-N 3.34Å; I620-I623 WeakPolarHBondContact O-CB 3.42Å; I620-I623 PolarHBondContact O-N 3.31Å; I620-K624 HydrophobicContact CG2-CG 4.49Å; I620-K624 WeakPolarHBondContact O-CG 3.45Å; I620-K624 PolarHBondContact O-N 2.69Å; I620-V631 HydrophobicContact CB-CG1 4.46Å; I620-V631 HydrophobicContact CD1-CG1 3.96Å; I620-V631 HydrophobicContact CG1-CG1 3.68Å; I620-V631 HydrophobicContact CG2-CG1 4.33Å; I620-V631 HydrophobicContact CG2-CG2 3.83Å; I620-I647 HydrophobicContact CD1-CG2 4.27Å; I620-T650 HydrophobicContact CD1-CG2 3.63Å; I620-T650 HydrophobicContact CG1-CG2 4.4Å; I620-L651 HydrophobicContact CD1-CD2 4.01Å; I620-L651 HydrophobicContact CD1-CG 4.04Å; I620-L651 HydrophobicContact CG2-CD2 3.74Å; I620-L654 HydrophobicContact CB-CD1 3.66Å; I620-L654 HydrophobicContact CG2-CD1 3.45Å; I620-L654 VanDerWaalsContact CG2-CD1 3.45Å; I620-L660 HydrophobicContact CG2-CD1 4.1Å
621	L	90.8	Very high	86.2	Confident	2 Å²	2	27.6 Å²	27.6	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-59.7	-38.5	176.3	-73.4	179.1	0	0	0	111.9	E617 L625 L654 A659 L726 A734 P740	E617-L621 WeakPolarHBondContact O-CB 3.5Å; E617-L621 WeakPolarHBondContact O-CG 3.37Å; E617-L621 PolarHBondContact O-N 3.24Å; L621-L625 WeakPolarHBondContact O-CB 3.33Å; L621-L625 PolarHBondContact O-N 3.09Å; L621-L654 HydrophobicContact CD1-CD2 3.88Å; L621-L654 HydrophobicContact CD2-CD1 4.19Å; L621-L654 HydrophobicContact CD2-CD2 4.02Å; L621-L654 HydrophobicContact CG-CD1 4.08Å; L621-L654 HydrophobicContact CG-CD2 3.81Å; L621-A659 HydrophobicContact CD2-CB 3.78Å; L621-L726 HydrophobicContact CD2-CD2 3.7Å; L621-A734 HydrophobicContact CB-CB 3.87Å; L621-P740 HydrophobicContact CD1-CB 3.98Å; L621-P740 HydrophobicContact CD1-CG 3.5Å
622	R	83.5	Confident	86.2	Confident	66 Å²	66	30 Å²	30	25%	0.249	16%	0.155	C	C	.	.	H	α-helix	trans	-68.3	-40.3	174.9	-73.6	168.2	-166.5	-127.8	9.8	113	L310 F313 D618 V619 I620 K624 L625 L626	L310-R622 VanDerWaalsContact CD2-CZ 3.42Å; F313-R622 HydrophobicContact CE2-CB 4.16Å; F313-R622 HydrophobicContact CZ-CB 4.21Å; D618-R622 WeakPolarHBondContact O-CB 3.41Å; D618-R622 WeakPolarHBondContact O-CD 3.45Å; D618-R622 WeakPolarHBondContact O-CG 3.35Å; D618-R622 PolarHBondContact O-N 3.02Å; D618-R622 VanDerWaalsContact O-N 3.11Å; V619-R622 PolarHBondContact O-N 3.16Å; I620-R622 VanDerWaalsContact C-N 3.27Å; I620-R622 PolarHBondContact O-N 3.34Å; R622-K624 VanDerWaalsContact C-N 3.32Å; R622-K624 PolarHBondContact O-N 3.44Å; R622-L625 PolarHBondContact O-N 3.43Å; R622-L626 WeakPolarHBondContact O-CB 3.32Å; R622-L626 WeakPolarHBondContact O-CG 3.3Å; R622-L626 PolarHBondContact O-N 3.23Å
623	I	86.4	Confident	86.2	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-56.5	-51.1	175	-65	171.6	0	0	0	109.7	F313 V619 I620 L626 G627 L628 V631 F634 L635	F313-I623 HydrophobicContact CE2-CG1 3.54Å; F313-I623 HydrophobicContact CZ-CG1 4.15Å; V619-I623 HydrophobicContact CG1-CD1 4.2Å; V619-I623 WeakPolarHBondContact O-CG1 3.19Å; V619-I623 PolarHBondContact O-N 2.93Å; I620-I623 WeakPolarHBondContact O-CB 3.42Å; I620-I623 PolarHBondContact O-N 3.31Å; I623-L626 PolarHBondContact O-N 2.84Å; I623-G627 PolarHBondContact O-N 3.32Å; I623-L628 HydrophobicContact CG2-CB 4.09Å; I623-L628 PolarHBondContact O-N 3.07Å; I623-V631 HydrophobicContact CB-CG2 4.41Å; I623-V631 HydrophobicContact CD1-CB 4.48Å; I623-V631 HydrophobicContact CD1-CG1 3.98Å; I623-V631 HydrophobicContact CD1-CG2 4.5Å; I623-V631 HydrophobicContact CG2-CG2 4.04Å; I623-F634 HydrophobicContact CD1-CD1 3.57Å; I623-F634 HydrophobicContact CD1-CE1 4.25Å; I623-F634 HydrophobicContact CD1-CG 4.4Å; I623-F634 HydrophobicContact CG1-CD1 3.65Å; I623-F634 HydrophobicContact CG1-CE1 4.01Å; I623-F634 HydrophobicContact CG1-CG 4.4Å; I623-F634 HydrophobicContact CG2-CB 4.22Å; I623-F634 HydrophobicContact CG2-CD1 4.38Å; I623-F634 HydrophobicContact CG2-CG 4.33Å; I623-L635 HydrophobicContact CD1-CD1 4.16Å; I623-L635 HydrophobicContact CD1-CD2 3.79Å; I623-L635 HydrophobicContact CD1-CG 3.7Å
624	K	87.8	Confident	86.3	Confident	32 Å²	32	28.9 Å²	28.9	14%	0.139	16%	0.158	C	C	.	.	H	α-helix	trans	-68.4	-38.7	-179.2	-63.2	-69.4	-168	-176.5	0	111.6	I620 R622 L626 G627 V631 L660 D722 D724 L726	I620-K624 HydrophobicContact CG2-CG 4.49Å; I620-K624 WeakPolarHBondContact O-CG 3.45Å; I620-K624 PolarHBondContact O-N 2.69Å; R622-K624 VanDerWaalsContact C-N 3.32Å; R622-K624 PolarHBondContact O-N 3.44Å; K624-L626 VanDerWaalsContact C-N 3.28Å; K624-L626 PolarHBondContact O-N 3.24Å; K624-G627 PolarHBondContact O-N 2.79Å; K624-G627 VanDerWaalsContact O-N 3.14Å; K624-V631 HydrophobicContact CD-CG2 4.16Å; K624-V631 HydrophobicContact CG-CG2 4.26Å; K624-L660 HydrophobicContact CB-CD2 4.47Å; K624-L660 HydrophobicContact CG-CD2 4.01Å; K624-D722 PolarHBondContact NZ-O 3.18Å; K624-D722 IonicContact NZ-OD1 2.81Å; K624-D724 VanDerWaalsContact CE-O 3.23Å; K624-D724 WeakPolarHBondContact CE-O 3.36Å; K624-D724 PolarHBondContact NZ-O 3.15Å; K624-L726 HydrophobicContact CB-CD1 3.91Å; K624-L726 HydrophobicContact CB-CD2 4.17Å; K624-L726 HydrophobicContact CB-CG 3.7Å
625	L	84.2	Confident	86.6	Confident	21 Å²	21	27.2 Å²	27.2	11%	0.11	15%	0.148	C	C	.	.	H	α-helix	trans	-63.7	-34.2	178.9	-174.8	69.6	0	0	0	112.4	F123 L621 R622 L726 V731 A734 N735	F123-L625 VanDerWaalsContact CE1-O 3.25Å; F123-L625 WeakPolarHBondContact CE1-O 3.41Å; L621-L625 WeakPolarHBondContact O-CB 3.33Å; L621-L625 PolarHBondContact O-N 3.09Å; R622-L625 PolarHBondContact O-N 3.43Å; L625-L726 VanDerWaalsContact CA-CD1 3.46Å; L625-L726 HydrophobicContact CB-CD1 4.04Å; L625-L726 HydrophobicContact CD1-CD1 4.14Å; L625-V731 HydrophobicContact CD1-CG1 4.32Å; L625-A734 HydrophobicContact CB-CB 4.09Å; L625-A734 HydrophobicContact CD1-CB 4.07Å; L625-A734 HydrophobicContact CD2-CB 3.93Å; L625-A734 HydrophobicContact CG-CB 4.26Å; L625-N735 WeakPolarHBondContact CD2-OD1 3.46Å
626	L	79.9	Confident	86.7	Confident	14 Å²	14	29.8 Å²	29.8	7%	0.073	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	2.4	178.7	-67.6	174.3	0	0	0	112.9	F287 R288 F313 R622 I623 K624 L628	F287-L626 HydrophobicContact CB-CD2 4.15Å; R288-L626 HydrophobicContact CB-CD2 4.13Å; F313-L626 HydrophobicContact CE1-CD1 3.71Å; F313-L626 HydrophobicContact CZ-CD1 3.92Å; R622-L626 WeakPolarHBondContact O-CB 3.32Å; R622-L626 WeakPolarHBondContact O-CG 3.3Å; R622-L626 PolarHBondContact O-N 3.23Å; I623-L626 PolarHBondContact O-N 2.84Å; K624-L626 VanDerWaalsContact C-N 3.28Å; K624-L626 PolarHBondContact O-N 3.24Å; L626-L628 VanDerWaalsContact C-N 3.28Å; L626-L628 HydrophobicContact CB-CD1 3.98Å; L626-L628 HydrophobicContact CB-CD2 3.92Å; L626-L628 HydrophobicContact CB-CG 3.65Å; L626-L628 HydrophobicContact CD1-CD1 4.22Å; L626-L628 PolarHBondContact O-N 3.16Å
627	G	79.4	Confident	86.7	Confident	29 Å²	29	34 Å²	34	30%	0.299	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	30.6	178.6	0	0	0	0	0	113.8	I119 I623 K624 G629	I119-G627 WeakPolarHBondContact CD1-O 3.42Å; I119-G627 WeakPolarHBondContact CG1-O 3.44Å; I623-G627 PolarHBondContact O-N 3.32Å; K624-G627 PolarHBondContact O-N 2.79Å; K624-G627 VanDerWaalsContact O-N 3.14Å; G627-G629 PolarHBondContact O-N 2.89Å
628	L	81.8	Confident	86.6	Confident	9 Å²	9	34 Å²	34	5%	0.047	19%	0.192	C	C	.	.			trans	-77	13.4	-169.6	-56.1	179.2	0	0	0	114.8	F313 M317 R320 I623 L626 F634	F313-L628 HydrophobicContact CE1-CD1 3.49Å; F313-L628 VanDerWaalsContact CE1-CD1 3.49Å; F313-L628 HydrophobicContact CE2-CD1 4.27Å; F313-L628 HydrophobicContact CZ-CD1 3.23Å; M317-L628 HydrophobicContact CE-CD1 4.48Å; M317-L628 HydrophobicContact CE-CD2 3.54Å; M317-L628 HydrophobicContact CG-CD1 4.45Å; M317-L628 HydrophobicContact SD-CD1 3.44Å; M317-L628 WeakPolarHBondContact SD-CD1 3.21Å; M317-L628 HydrophobicContact SD-CD2 3.36Å; M317-L628 WeakPolarHBondContact SD-CD2 3.39Å; M317-L628 HydrophobicContact SD-CG 4.03Å; R320-L628 PolarHBondContact NH1-O 3.38Å; I623-L628 HydrophobicContact CG2-CB 4.09Å; I623-L628 PolarHBondContact O-N 3.07Å; L626-L628 VanDerWaalsContact C-N 3.28Å; L626-L628 HydrophobicContact CB-CD1 3.98Å; L626-L628 HydrophobicContact CB-CD2 3.92Å; L626-L628 HydrophobicContact CB-CG 3.65Å; L626-L628 HydrophobicContact CD1-CD1 4.22Å; L626-L628 PolarHBondContact O-N 3.16Å; L628-F634 HydrophobicContact CB-CD2 3.74Å; L628-F634 HydrophobicContact CB-CE2 4.02Å; L628-F634 HydrophobicContact CB-CG 4.26Å; L628-F634 HydrophobicContact CD1-CD2 4.07Å; L628-F634 HydrophobicContact CD1-CE1 4.22Å; L628-F634 HydrophobicContact CD1-CE2 3.52Å; L628-F634 HydrophobicContact CD1-CZ 3.6Å; L628-F634 HydrophobicContact CG-CE2 4.31Å
629	G	82.4	Confident	86.8	Confident	46 Å²	46	31.7 Å²	31.7	47%	0.474	18%	0.18	S	C	.	.	S	Bend	trans	88	-158.6	-175.4	0	0	0	0	0	113.3	G627	G627-G629 PolarHBondContact O-N 2.89Å
630	R	86.1	Confident	86.9	Confident	107 Å²	107	33.4 Å²	33.4	40%	0.404	19%	0.188	S	C	.	.			trans	-61	133.3	177	-75.7	-178.6	174.7	-167.9	-4.3	111.1	S633 F634 D720 D722 D723	R630-S633 WeakPolarHBondContact O-CB 3.44Å; R630-S633 PolarHBondContact O-N 3.28Å; R630-F634 PolarHBondContact O-N 3.02Å; R630-D720 IonicContact CZ-OD2 3.26Å; R630-D720 IonicContact NH1-OD2 2.63Å; R630-D720 PolarHBondContact NH1-OD2 3.14Å; R630-D720 IonicContact NH2-OD2 3.5Å; R630-D722 VanDerWaalsContact C-OD2 3.32Å; R630-D722 WeakPolarHBondContact CB-OD2 3.4Å; R630-D723 IonicContact CZ-OD1 3.53Å; R630-D723 VanDerWaalsContact CZ-OD1 3.24Å; R630-D723 IonicContact NE-OD1 3.48Å; R630-D723 PolarHBondContact NE-OD1 3.29Å; R630-D723 VanDerWaalsContact NE-OD1 3.09Å; R630-D723 IonicContact NH2-OD1 3.22Å; R630-D723 PolarHBondContact NH2-OD1 2.91Å; R630-D723 IonicContact NH2-OD2 3.64Å; R630-D723 PolarHBondContact NH2-OD2 3.44Å
631	V	90	Very high	86.8	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.2	-48.5	-174.6	170.8	0	0	0	0	111.8	I620 I623 K624 S633 F634 L635 I647 L651 D722	I620-V631 HydrophobicContact CB-CG1 4.46Å; I620-V631 HydrophobicContact CD1-CG1 3.96Å; I620-V631 HydrophobicContact CG1-CG1 3.68Å; I620-V631 HydrophobicContact CG2-CG1 4.33Å; I620-V631 HydrophobicContact CG2-CG2 3.83Å; I623-V631 HydrophobicContact CB-CG2 4.41Å; I623-V631 HydrophobicContact CD1-CB 4.48Å; I623-V631 HydrophobicContact CD1-CG1 3.98Å; I623-V631 HydrophobicContact CD1-CG2 4.5Å; I623-V631 HydrophobicContact CG2-CG2 4.04Å; K624-V631 HydrophobicContact CD-CG2 4.16Å; K624-V631 HydrophobicContact CG-CG2 4.26Å; V631-S633 VanDerWaalsContact C-N 3.29Å; V631-S633 PolarHBondContact O-N 3.18Å; V631-F634 PolarHBondContact O-N 3.29Å; V631-L635 HydrophobicContact CG1-CD1 3.64Å; V631-L635 HydrophobicContact CG1-CG 4.34Å; V631-L635 WeakPolarHBondContact O-CB 3.44Å; V631-L635 VanDerWaalsContact O-CG 3.27Å; V631-L635 WeakPolarHBondContact O-CG 3.35Å; V631-L635 PolarHBondContact O-N 3.41Å; V631-I647 HydrophobicContact CG1-CG2 3.84Å; V631-L651 HydrophobicContact CG2-CD2 4.38Å; V631-D722 WeakPolarHBondContact CB-OD1 3.25Å; V631-D722 WeakPolarHBondContact CG2-OD1 3.43Å; V631-D722 PolarHBondContact N-OD1 2.99Å; V631-D722 PolarHBondContact N-OD2 3.21Å
632	K	89.6	Confident	86.7	Confident	52 Å²	52	36 Å²	36	23%	0.226	21%	0.207	C	C	.	.	H	α-helix	trans	-60.7	-42.3	179	-67.9	-178.8	-178.7	-179	0	110.4	T636 I647 S648 E721 D722	K632-T636 WeakPolarHBondContact O-CB 3.31Å; K632-T636 PolarHBondContact O-N 2.97Å; K632-T636 PolarHBondContact O-OG1 2.8Å; K632-I647 HydrophobicContact CG-CD1 4.29Å; K632-I647 HydrophobicContact CG-CG2 3.89Å; K632-S648 PolarHBondContact NZ-OG 2.89Å; K632-E721 IonicContact NZ-OE2 2.74Å; K632-E721 PolarHBondContact NZ-OE2 3.14Å; K632-D722 WeakPolarHBondContact CB-OD2 3.28Å; K632-D722 HydrophobicContact CD-CB 4.49Å; K632-D722 PolarHBondContact N-OD2 3.35Å
633	S	87.4	Confident	86.9	Confident	70 Å²	70	36.2 Å²	36.2	49%	0.49	22%	0.218	S	C	.	.	H	α-helix	trans	-64	-50.3	178.5	-178.8	0	0	0	0	111.6	R630 V631 L635 T636 N637	R630-S633 WeakPolarHBondContact O-CB 3.44Å; R630-S633 PolarHBondContact O-N 3.28Å; V631-S633 VanDerWaalsContact C-N 3.29Å; V631-S633 PolarHBondContact O-N 3.18Å; S633-L635 PolarHBondContact O-N 3.22Å; S633-T636 PolarHBondContact O-N 3.18Å; S633-N637 PolarHBondContact O-N 3.22Å; S633-N637 PolarHBondContact O-ND2 3.13Å
634	F	89.2	Confident	86.9	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.009	25%	0.251	C	S	.	.	H	α-helix	trans	-60.2	-48.1	178.6	179.7	-94.7	0	0	0	112.2	F313 C316 M317 I623 L628 R630 V631 T636 N637	F313-F634 HydrophobicContact CD1-CZ 4.24Å; F313-F634 AromaticContact CD2-CE1 3.76Å; F313-F634 HydrophobicContact CD2-CE1 3.76Å; F313-F634 HydrophobicContact CD2-CZ 4.25Å; F313-F634 HydrophobicContact CE1-CE1 4.42Å; F313-F634 HydrophobicContact CE1-CZ 4.06Å; F313-F634 AromaticContact CE2-CE1 3.64Å; F313-F634 HydrophobicContact CE2-CE1 3.64Å; F313-F634 HydrophobicContact CE2-CZ 4.11Å; F313-F634 HydrophobicContact CG-CE1 4.27Å; F313-F634 HydrophobicContact CG-CZ 4.36Å; F313-F634 HydrophobicContact CZ-CE1 4Å; F313-F634 HydrophobicContact CZ-CZ 4.02Å; C316-F634 HydrophobicContact CB-CE2 4.37Å; C316-F634 HydrophobicContact CB-CZ 3.95Å; C316-F634 VanDerWaalsContact SG-CE2 3.59Å; M317-F634 HydrophobicContact SD-CE2 4.08Å; M317-F634 HydrophobicContact SD-CZ 4.34Å; I623-F634 HydrophobicContact CD1-CD1 3.57Å; I623-F634 HydrophobicContact CD1-CE1 4.25Å; I623-F634 HydrophobicContact CD1-CG 4.4Å; I623-F634 HydrophobicContact CG1-CD1 3.65Å; I623-F634 HydrophobicContact CG1-CE1 4.01Å; I623-F634 HydrophobicContact CG1-CG 4.4Å; I623-F634 HydrophobicContact CG2-CB 4.22Å; I623-F634 HydrophobicContact CG2-CD1 4.38Å; I623-F634 HydrophobicContact CG2-CG 4.33Å; L628-F634 HydrophobicContact CB-CD2 3.74Å; L628-F634 HydrophobicContact CB-CE2 4.02Å; L628-F634 HydrophobicContact CB-CG 4.26Å; L628-F634 HydrophobicContact CD1-CD2 4.07Å; L628-F634 HydrophobicContact CD1-CE1 4.22Å; L628-F634 HydrophobicContact CD1-CE2 3.52Å; L628-F634 HydrophobicContact CD1-CZ 3.6Å; L628-F634 HydrophobicContact CG-CE2 4.31Å; R630-F634 PolarHBondContact O-N 3.02Å; V631-F634 PolarHBondContact O-N 3.29Å; F634-T636 VanDerWaalsContact C-N 3.27Å; F634-T636 PolarHBondContact O-N 2.89Å; F634-N637 WeakPolarHBondContact O-CB 3.47Å; F634-N637 PolarHBondContact O-N 3.45Å
635	L	90.2	Very high	86.7	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.7	-31.2	-178.7	-71.8	175.7	0	0	0	112.9	M611 V619 I623 V631 S633 N637 C638 S641 P642 I647	M611-L635 HydrophobicContact SD-CD2 3.73Å; V619-L635 HydrophobicContact CG1-CD2 3.82Å; I623-L635 HydrophobicContact CD1-CD1 4.16Å; I623-L635 HydrophobicContact CD1-CD2 3.79Å; I623-L635 HydrophobicContact CD1-CG 3.7Å; V631-L635 HydrophobicContact CG1-CD1 3.64Å; V631-L635 HydrophobicContact CG1-CG 4.34Å; V631-L635 WeakPolarHBondContact O-CB 3.44Å; V631-L635 VanDerWaalsContact O-CG 3.27Å; V631-L635 WeakPolarHBondContact O-CG 3.35Å; V631-L635 PolarHBondContact O-N 3.41Å; S633-L635 PolarHBondContact O-N 3.22Å; L635-N637 PolarHBondContact O-N 3.5Å; L635-C638 VanDerWaalsContact O-CB 3.31Å; L635-C638 WeakPolarHBondContact O-CB 3.04Å; L635-C638 PolarHBondContact O-N 3.31Å; L635-C638 VanDerWaalsContact O-N 3.14Å; L635-S641 WeakPolarHBondContact O-CB 3.24Å; L635-S641 PolarHBondContact O-OG 3.38Å; L635-P642 HydrophobicContact CB-CG 4.5Å; L635-P642 HydrophobicContact CD1-CG 3.91Å; L635-I647 HydrophobicContact CB-CD1 4.43Å; L635-I647 HydrophobicContact CD1-CD1 3.8Å; L635-I647 HydrophobicContact CD1-CG1 3.89Å
636	T	89.1	Confident	86.9	Confident	95 Å²	95	44.4 Å²	44.4	58%	0.583	26%	0.26	S	S	*	.	H	α-helix	trans	-65.9	-26.1	174.9	-57.5	0	0	0	0	112.5	K632 S633 F634 C638	K632-T636 WeakPolarHBondContact O-CB 3.31Å; K632-T636 PolarHBondContact O-N 2.97Å; K632-T636 PolarHBondContact O-OG1 2.8Å; S633-T636 PolarHBondContact O-N 3.18Å; F634-T636 VanDerWaalsContact C-N 3.27Å; F634-T636 PolarHBondContact O-N 2.89Å; T636-C638 VanDerWaalsContact C-N 3.33Å
637	N	87.9	Confident	87.4	Confident	91 Å²	91	43.9 Å²	43.9	49%	0.487	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-3.7	175.9	-64.9	-34.9	0	0	0	113.4	Y345 S633 F634 L635	Y345-N637 WeakPolarHBondContact CE2-O 3.41Å; Y345-N637 PolarHBondContact OH-O 3.02Å; S633-N637 PolarHBondContact O-N 3.22Å; S633-N637 PolarHBondContact O-ND2 3.13Å; F634-N637 WeakPolarHBondContact O-CB 3.47Å; F634-N637 PolarHBondContact O-N 3.45Å; L635-N637 PolarHBondContact O-N 3.5Å
638	C	90.5	Very high	87.9	Confident	9 Å²	9	43.2 Å²	43.2	6%	0.061	25%	0.248	C	C	.	.	S	Bend	trans	-74.4	163.1	172.9	-64.9	0	0	0	0	111	M611 L635 T636 D640	M611-C638 HydrophobicContact CE-CB 3.85Å; L635-C638 VanDerWaalsContact O-CB 3.31Å; L635-C638 WeakPolarHBondContact O-CB 3.04Å; L635-C638 PolarHBondContact O-N 3.31Å; L635-C638 VanDerWaalsContact O-N 3.14Å; T636-C638 VanDerWaalsContact C-N 3.33Å; C638-D640 PolarHBondContact O-N 3.24Å
639	L	88.4	Confident	88.1	Confident	19 Å²	19	45.6 Å²	45.6	10%	0.099	26%	0.259	C	S	.	.	S	Bend	trans	-57.6	-32.6	-177.4	-172.1	61.3	0	0	0	114	R307 K341 F342 Y345	R307-L639 VanDerWaalsContact CZ-CD2 3.48Å; K341-L639 HydrophobicContact CD-CD1 4.22Å; K341-L639 HydrophobicContact CD-CD2 4.32Å; K341-L639 HydrophobicContact CD-CG 4.15Å; K341-L639 HydrophobicContact CG-CD1 4Å; K341-L639 HydrophobicContact CG-CG 4.45Å; F342-L639 HydrophobicContact CD1-CD2 3.78Å; F342-L639 HydrophobicContact CE1-CD2 3.43Å; F342-L639 VanDerWaalsContact CE1-CD2 3.43Å; F342-L639 HydrophobicContact CZ-CD2 4.15Å; Y345-L639 VanDerWaalsContact CB-CD1 3.4Å; Y345-L639 HydrophobicContact CD1-CD1 4.3Å; Y345-L639 HydrophobicContact CD2-CB 4.36Å; Y345-L639 HydrophobicContact CD2-CD1 3.52Å; Y345-L639 HydrophobicContact CE2-CB 4.4Å; Y345-L639 HydrophobicContact CE2-CD1 4.36Å; Y345-L639 HydrophobicContact CG-CD1 3.48Å; Y345-L639 VanDerWaalsContact CG-CD1 3.48Å
640	D	88.6	Confident	88.5	Confident	37 Å²	37	43.6 Å²	43.6	20%	0.198	24%	0.237	C	C	.	.	S	Bend	trans	-139.8	133.7	170	-72.9	-73.9	0	0	0	106.9	R307 K341 P609 M611 L612 C638	R307-D640 IonicContact CZ-OD2 3.97Å; R307-D640 VanDerWaalsContact CZ-OD2 3.27Å; R307-D640 IonicContact NH1-OD2 3.09Å; R307-D640 PolarHBondContact NH1-OD2 3.38Å; R307-D640 IonicContact NH2-OD2 3.24Å; R307-D640 PolarHBondContact NH2-OD2 2.88Å; K341-D640 IonicContact NZ-OD1 3.66Å; K341-D640 PolarHBondContact NZ-OD1 3.05Å; K341-D640 IonicContact NZ-OD2 3.38Å; K341-D640 PolarHBondContact NZ-OD2 3.45Å; P609-D640 HydrophobicContact CG-CB 4.3Å; P609-D640 WeakPolarHBondContact CG-OD2 3.47Å; M611-D640 WeakPolarHBondContact CE-O 3.27Å; L612-D640 HydrophobicContact CD1-CB 4.25Å; C638-D640 PolarHBondContact O-N 3.24Å
641	S	89.6	Confident	88.8	Confident	50 Å²	50	38.5 Å²	38.5	35%	0.35	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-101.2	136.6	179.2	-174.2	0	0	0	0	111.1	L612 L635	L612-S641 WeakPolarHBondContact CD2-O 3.08Å; L635-S641 WeakPolarHBondContact O-CB 3.24Å; L635-S641 PolarHBondContact O-OG 3.38Å
642	P	89.2	Confident	88.7	Confident	8 Å²	8	42.2 Å²	42.2	5%	0.052	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-64.2	162.8	171.5	27.2	-31.7	0	0	0	111.9	M611 L612 L616 L635 I647	M611-P642 HydrophobicContact CG-CG 4.4Å; L612-P642 HydrophobicContact CD2-CB 4.26Å; L616-P642 HydrophobicContact CD1-CB 3.69Å; L616-P642 HydrophobicContact CD1-CG 3.71Å; L616-P642 HydrophobicContact CD2-CB 4.27Å; L616-P642 HydrophobicContact CD2-CG 4.24Å; L635-P642 HydrophobicContact CB-CG 4.5Å; L635-P642 HydrophobicContact CD1-CG 3.91Å; P642-I647 HydrophobicContact CB-CG1 4.5Å; P642-I647 HydrophobicContact CG-CD1 4.08Å; P642-I647 HydrophobicContact CG-CG1 3.94Å
643	S	87.2	Confident	88.8	Confident	69 Å²	69	40.4 Å²	40.4	48%	0.483	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-67	145.9	178.1	69.1	0	0	0	0	111.5	D645 A646 I647	S643-D645 PolarHBondContact O-N 3.24Å; S643-A646 WeakPolarHBondContact O-CA 3.17Å; S643-A646 WeakPolarHBondContact O-CB 3.28Å; S643-A646 PolarHBondContact O-N 3.41Å; S643-A646 WeakPolarHBondContact OG-CB 3.43Å; S643-A646 PolarHBondContact OG-N 2.75Å; S643-I647 PolarHBondContact O-N 3.34Å; S643-I647 VanDerWaalsContact O-N 3.11Å
644	E	86.2	Confident	89.1	Confident	146 Å²	146	37 Å²	37	68%	0.682	21%	0.206	S	C	*	.	H	α-helix	trans	-55.8	-38.9	177.5	-68	-179.3	-174.2	0	0	112.2	A646 I647 S648	E644-A646 VanDerWaalsContact C-N 3.29Å; E644-A646 PolarHBondContact O-N 3.15Å; E644-I647 PolarHBondContact O-N 2.76Å; E644-I647 VanDerWaalsContact O-N 3.17Å; E644-S648 PolarHBondContact O-N 3.43Å; E644-S648 PolarHBondContact O-OG 3.43Å
645	D	84.3	Confident	89.3	Confident	69 Å²	69	40 Å²	40	37%	0.369	22%	0.216	S	C	.	.	H	α-helix	trans	-60.9	-36.4	175.5	-179.9	65	0	0	0	112.5	S643 K649	S643-D645 PolarHBondContact O-N 3.24Å; D645-K649 WeakPolarHBondContact O-CB 3.47Å; D645-K649 VanDerWaalsContact O-CG 3.3Å; D645-K649 WeakPolarHBondContact O-CG 3.24Å; D645-K649 PolarHBondContact O-N 2.9Å; D645-K649 WeakPolarHBondContact OD1-CE 3.18Å; D645-K649 IonicContact OD1-NZ 2.71Å; D645-K649 PolarHBondContact OD1-NZ 3.39Å; D645-K649 IonicContact OD2-NZ 3.49Å; D645-K649 PolarHBondContact OD2-NZ 3Å
646	A	87.3	Confident	89.3	Confident	10 Å²	10	43.9 Å²	43.9	8%	0.083	24%	0.235	C	C	.	.	H	α-helix	trans	-68.8	-41	175.3	0	0	0	0	0	111.5	P558 L616 S643 E644 T650	P558-A646 HydrophobicContact CB-CB 4.25Å; P558-A646 HydrophobicContact CG-CB 3.72Å; L616-A646 HydrophobicContact CD1-CB 4.02Å; S643-A646 WeakPolarHBondContact O-CA 3.17Å; S643-A646 WeakPolarHBondContact O-CB 3.28Å; S643-A646 PolarHBondContact O-N 3.41Å; S643-A646 WeakPolarHBondContact OG-CB 3.43Å; S643-A646 PolarHBondContact OG-N 2.75Å; E644-A646 VanDerWaalsContact C-N 3.29Å; E644-A646 PolarHBondContact O-N 3.15Å; A646-T650 WeakPolarHBondContact O-CB 3.38Å; A646-T650 PolarHBondContact O-N 3.45Å; A646-T650 VanDerWaalsContact O-N 3.16Å; A646-T650 PolarHBondContact O-OG1 2.9Å
647	I	90.8	Very high	89.4	Confident	3 Å²	3	39.3 Å²	39.3	2%	0.015	21%	0.207	C	C	.	.	H	α-helix	trans	-64.4	-55.2	177.5	-59.3	169.9	0	0	0	110	L616 I620 V631 K632 L635 P642 S643 E644 K649 T650 L651	L616-I647 HydrophobicContact CD1-CG1 3.98Å; I620-I647 HydrophobicContact CD1-CG2 4.27Å; V631-I647 HydrophobicContact CG1-CG2 3.84Å; K632-I647 HydrophobicContact CG-CD1 4.29Å; K632-I647 HydrophobicContact CG-CG2 3.89Å; L635-I647 HydrophobicContact CB-CD1 4.43Å; L635-I647 HydrophobicContact CD1-CD1 3.8Å; L635-I647 HydrophobicContact CD1-CG1 3.89Å; P642-I647 HydrophobicContact CB-CG1 4.5Å; P642-I647 HydrophobicContact CG-CD1 4.08Å; P642-I647 HydrophobicContact CG-CG1 3.94Å; S643-I647 PolarHBondContact O-N 3.34Å; S643-I647 VanDerWaalsContact O-N 3.11Å; E644-I647 PolarHBondContact O-N 2.76Å; E644-I647 VanDerWaalsContact O-N 3.17Å; I647-K649 VanDerWaalsContact C-N 3.33Å; I647-K649 PolarHBondContact O-N 2.73Å; I647-T650 PolarHBondContact O-N 3.25Å; I647-L651 HydrophobicContact CG2-CD1 3.9Å; I647-L651 HydrophobicContact CG2-CG 4.33Å; I647-L651 WeakPolarHBondContact O-CG 3.47Å; I647-L651 PolarHBondContact O-N 2.81Å
648	S	89.6	Confident	89.6	Confident	15 Å²	15	38.5 Å²	38.5	11%	0.105	20%	0.2	C	C	.	.	H	α-helix	trans	-58.6	-41.4	-176.4	-62.3	0	0	0	0	112.5	K632 E644 L651 I652 E721	K632-S648 PolarHBondContact NZ-OG 2.89Å; E644-S648 PolarHBondContact O-N 3.43Å; E644-S648 PolarHBondContact O-OG 3.43Å; S648-L651 PolarHBondContact O-N 2.84Å; S648-I652 VanDerWaalsContact O-CG1 3.31Å; S648-I652 WeakPolarHBondContact O-CG1 3.46Å; S648-I652 PolarHBondContact O-N 3.07Å; S648-E721 WeakPolarHBondContact CB-OE2 3.27Å; S648-E721 PolarHBondContact OG-OE2 3.06Å
649	K	85.9	Confident	89.8	Confident	60 Å²	60	38 Å²	38	26%	0.261	20%	0.197	S	C	.	.	H	α-helix	trans	-67.5	-36.6	176.2	-74.6	178.9	-178.7	150.5	0	113.5	P558 R559 D645 I647 I652 F653	P558-K649 HydrophobicContact CB-CD 4.06Å; P558-K649 WeakPolarHBondContact O-CD 3.46Å; P558-K649 WeakPolarHBondContact O-CE 3.5Å; P558-K649 PolarHBondContact O-NZ 3.18Å; P558-K649 VanDerWaalsContact O-NZ 3.13Å; R559-K649 VanDerWaalsContact CA-NZ 3.31Å; D645-K649 WeakPolarHBondContact O-CB 3.47Å; D645-K649 VanDerWaalsContact O-CG 3.3Å; D645-K649 WeakPolarHBondContact O-CG 3.24Å; D645-K649 PolarHBondContact O-N 2.9Å; D645-K649 WeakPolarHBondContact OD1-CE 3.18Å; D645-K649 IonicContact OD1-NZ 2.71Å; D645-K649 PolarHBondContact OD1-NZ 3.39Å; D645-K649 IonicContact OD2-NZ 3.49Å; D645-K649 PolarHBondContact OD2-NZ 3Å; I647-K649 VanDerWaalsContact C-N 3.33Å; I647-K649 PolarHBondContact O-N 2.73Å; K649-I652 PolarHBondContact O-N 3.34Å; K649-F653 PolarHBondContact O-N 2.82Å
650	T	90.6	Very high	90.1	Very high	4 Å²	4	37.4 Å²	37.4	3%	0.025	19%	0.194	C	C	.	.	H	α-helix	trans	-67.9	-40.4	176.2	-53.9	0	0	0	0	110.4	L616 E617 I620 A646 I647 I652 F653 L654	L616-T650 VanDerWaalsContact C-CG2 3.41Å; L616-T650 HydrophobicContact CB-CG2 3.88Å; E617-T650 HydrophobicContact CB-CG2 4.34Å; E617-T650 HydrophobicContact CG-CG2 3.86Å; I620-T650 HydrophobicContact CD1-CG2 3.63Å; I620-T650 HydrophobicContact CG1-CG2 4.4Å; A646-T650 WeakPolarHBondContact O-CB 3.38Å; A646-T650 PolarHBondContact O-N 3.45Å; A646-T650 VanDerWaalsContact O-N 3.16Å; A646-T650 PolarHBondContact O-OG1 2.9Å; I647-T650 PolarHBondContact O-N 3.25Å; T650-I652 PolarHBondContact O-N 3.16Å; T650-F653 PolarHBondContact O-N 3.35Å; T650-L654 HydrophobicContact CG2-CD1 4.22Å; T650-L654 HydrophobicContact CG2-CG 4.36Å; T650-L654 WeakPolarHBondContact O-CB 3.19Å; T650-L654 WeakPolarHBondContact O-CG 3.17Å; T650-L654 PolarHBondContact O-N 3.15Å
651	L	92.5	Very high	90.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.1	-45.7	173.2	-68.5	168.5	0	0	0	111.4	I620 V631 I647 S648 F653 L654 R655 L660 E721	I620-L651 HydrophobicContact CD1-CD2 4.01Å; I620-L651 HydrophobicContact CD1-CG 4.04Å; I620-L651 HydrophobicContact CG2-CD2 3.74Å; V631-L651 HydrophobicContact CG2-CD2 4.38Å; I647-L651 HydrophobicContact CG2-CD1 3.9Å; I647-L651 HydrophobicContact CG2-CG 4.33Å; I647-L651 WeakPolarHBondContact O-CG 3.47Å; I647-L651 PolarHBondContact O-N 2.81Å; S648-L651 PolarHBondContact O-N 2.84Å; L651-F653 PolarHBondContact O-N 3.02Å; L651-L654 PolarHBondContact O-N 2.83Å; L651-R655 WeakPolarHBondContact O-CG 3.32Å; L651-R655 PolarHBondContact O-N 3.13Å; L651-L660 HydrophobicContact CD2-CD1 3.8Å; L651-E721 WeakPolarHBondContact CD1-O 3.27Å
652	I	89.7	Confident	90	Very high	78 Å²	78	41.4 Å²	41.4	40%	0.4	21%	0.207	S	C	.	.	H	α-helix	trans	-57.6	-48.1	174.5	-68.3	164.6	0	0	0	111	S648 K649 T650 L654 R655 Q656	S648-I652 VanDerWaalsContact O-CG1 3.31Å; S648-I652 WeakPolarHBondContact O-CG1 3.46Å; S648-I652 PolarHBondContact O-N 3.07Å; K649-I652 PolarHBondContact O-N 3.34Å; T650-I652 PolarHBondContact O-N 3.16Å; I652-L654 PolarHBondContact O-N 3.03Å; I652-R655 WeakPolarHBondContact O-CB 3.25Å; I652-R655 PolarHBondContact O-N 3.2Å; I652-Q656 HydrophobicContact CG2-CG 4.47Å; I652-Q656 WeakPolarHBondContact O-CG 3.19Å; I652-Q656 PolarHBondContact O-N 2.95Å
653	F	90.7	Very high	89.6	Confident	13 Å²	13	45.3 Å²	45.3	6%	0.057	23%	0.226	C	C	.	.	H	α-helix	trans	-61.3	-44.7	178.3	174.9	-95.7	0	0	0	112.2	E617 K649 T650 L651 R655 Q656 I657 Q741 P879	E617-F653 HydrophobicContact CG-CD1 3.77Å; E617-F653 HydrophobicContact CG-CE1 3.85Å; E617-F653 WeakPolarHBondContact OE2-CE1 3.4Å; K649-F653 PolarHBondContact O-N 2.82Å; T650-F653 PolarHBondContact O-N 3.35Å; L651-F653 PolarHBondContact O-N 3.02Å; F653-R655 VanDerWaalsContact C-N 3.29Å; F653-R655 PolarHBondContact O-N 2.67Å; F653-Q656 WeakPolarHBondContact O-CA 2.84Å; F653-Q656 WeakPolarHBondContact O-CB 3.48Å; F653-Q656 PolarHBondContact O-N 3.39Å; F653-I657 HydrophobicContact CD1-CG2 4.42Å; F653-I657 HydrophobicContact CD2-CG2 4.48Å; F653-I657 HydrophobicContact CE1-CD1 4.09Å; F653-I657 HydrophobicContact CE1-CG2 3.9Å; F653-I657 HydrophobicContact CE2-CG2 3.99Å; F653-I657 HydrophobicContact CZ-CG2 3.68Å; F653-I657 PolarHBondContact O-N 2.88Å; F653-Q741 HydrophobicContact CZ-CG 4.06Å; F653-P879 HydrophobicContact CD2-CG 3.89Å; F653-P879 HydrophobicContact CE2-CG 4.01Å
654	L	94	Very high	88.7	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.7	-34.3	178.2	-73	177.9	0	0	0	112.5	E617 I620 L621 T650 L651 I652 I657 Q658 A659 L660	E617-L654 HydrophobicContact CB-CD2 4.14Å; E617-L654 HydrophobicContact CG-CD2 4.48Å; I620-L654 HydrophobicContact CB-CD1 3.66Å; I620-L654 HydrophobicContact CG2-CD1 3.45Å; I620-L654 VanDerWaalsContact CG2-CD1 3.45Å; L621-L654 HydrophobicContact CD1-CD2 3.88Å; L621-L654 HydrophobicContact CD2-CD1 4.19Å; L621-L654 HydrophobicContact CD2-CD2 4.02Å; L621-L654 HydrophobicContact CG-CD1 4.08Å; L621-L654 HydrophobicContact CG-CD2 3.81Å; T650-L654 HydrophobicContact CG2-CD1 4.22Å; T650-L654 HydrophobicContact CG2-CG 4.36Å; T650-L654 WeakPolarHBondContact O-CB 3.19Å; T650-L654 WeakPolarHBondContact O-CG 3.17Å; T650-L654 PolarHBondContact O-N 3.15Å; L651-L654 PolarHBondContact O-N 2.83Å; I652-L654 PolarHBondContact O-N 3.03Å; L654-I657 HydrophobicContact CD2-CD1 3.86Å; L654-I657 HydrophobicContact CD2-CG1 4.4Å; L654-I657 WeakPolarHBondContact O-CG1 3.04Å; L654-Q658 PolarHBondContact O-N 3.06Å; L654-A659 HydrophobicContact CB-CB 4.49Å; L654-A659 HydrophobicContact CD2-CB 4.25Å; L654-A659 WeakPolarHBondContact O-CB 3.34Å; L654-A659 PolarHBondContact O-N 2.89Å; L654-L660 HydrophobicContact CB-CB 4.43Å; L654-L660 HydrophobicContact CB-CD1 3.65Å; L654-L660 HydrophobicContact CB-CG 3.87Å; L654-L660 HydrophobicContact CD1-CD1 3.85Å; L654-L660 HydrophobicContact CD1-CG 4.46Å; L654-L660 HydrophobicContact CG-CD1 4.43Å; L654-L660 PolarHBondContact O-N 3.13Å
655	R	92.4	Very high	87	Confident	63 Å²	63	47.3 Å²	47.3	24%	0.238	24%	0.236	C	C	.	.	H	α-helix	trans	-66.7	-42.6	169	-67.1	169.8	-171.5	146	6.3	111.9	L651 I652 F653 I657 Q658 L660 E721 D724	L651-R655 WeakPolarHBondContact O-CG 3.32Å; L651-R655 PolarHBondContact O-N 3.13Å; I652-R655 WeakPolarHBondContact O-CB 3.25Å; I652-R655 PolarHBondContact O-N 3.2Å; F653-R655 VanDerWaalsContact C-N 3.29Å; F653-R655 PolarHBondContact O-N 2.67Å; R655-I657 VanDerWaalsContact C-N 3.33Å; R655-I657 PolarHBondContact O-N 3.29Å; R655-Q658 WeakPolarHBondContact O-CA 2.98Å; R655-Q658 PolarHBondContact O-N 3.21Å; R655-L660 WeakPolarHBondContact CA-O 3.33Å; R655-L660 HydrophobicContact CG-CB 4.05Å; R655-E721 PolarHBondContact NH2-O 3.39Å; R655-D724 IonicContact CZ-OD1 2.74Å; R655-D724 VanDerWaalsContact CZ-OD1 3.26Å; R655-D724 IonicContact CZ-OD2 3.49Å; R655-D724 IonicContact NE-OD1 3.2Å; R655-D724 PolarHBondContact NE-OD1 2.98Å; R655-D724 IonicContact NE-OD2 2.86Å; R655-D724 PolarHBondContact NE-OD2 2.7Å; R655-D724 IonicContact NH2-OD1 3.41Å; R655-D724 PolarHBondContact NH2-OD1 3.04Å; R655-D724 IonicContact NH2-OD2 3.24Å; R655-D724 PolarHBondContact NH2-OD2 3.4Å
656	Q	90.4	Very high	84.9	Confident	82 Å²	82	52.9 Å²	52.9	38%	0.383	26%	0.26	S	S	.	.	H	α-helix	trans	-63.9	-35.1	179.1	-73.2	175.4	-44.5	0	0	113	I652 F653 Q658 P879	I652-Q656 HydrophobicContact CG2-CG 4.47Å; I652-Q656 WeakPolarHBondContact O-CG 3.19Å; I652-Q656 PolarHBondContact O-N 2.95Å; F653-Q656 WeakPolarHBondContact O-CA 2.84Å; F653-Q656 WeakPolarHBondContact O-CB 3.48Å; F653-Q656 PolarHBondContact O-N 3.39Å; Q656-Q658 PolarHBondContact O-N 2.81Å; Q656-P879 HydrophobicContact CB-CG 4.1Å
657	I	92.2	Very high	82.6	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	2.2	172.5	68.5	164.5	0	0	0	113.1	F653 L654 R655 A659 L733 P740 Q741 K744	F653-I657 HydrophobicContact CD1-CG2 4.42Å; F653-I657 HydrophobicContact CD2-CG2 4.48Å; F653-I657 HydrophobicContact CE1-CD1 4.09Å; F653-I657 HydrophobicContact CE1-CG2 3.9Å; F653-I657 HydrophobicContact CE2-CG2 3.99Å; F653-I657 HydrophobicContact CZ-CG2 3.68Å; F653-I657 PolarHBondContact O-N 2.88Å; L654-I657 HydrophobicContact CD2-CD1 3.86Å; L654-I657 HydrophobicContact CD2-CG1 4.4Å; L654-I657 WeakPolarHBondContact O-CG1 3.04Å; R655-I657 VanDerWaalsContact C-N 3.33Å; R655-I657 PolarHBondContact O-N 3.29Å; I657-A659 VanDerWaalsContact C-N 3.29Å; I657-A659 HydrophobicContact CD1-CB 4.02Å; I657-A659 HydrophobicContact CG1-CB 3.93Å; I657-A659 PolarHBondContact O-N 2.81Å; I657-L733 HydrophobicContact CD1-CD1 4.07Å; I657-P740 HydrophobicContact CD1-CB 3.67Å; I657-Q741 HydrophobicContact CG2-CG 4.47Å; I657-K744 PolarHBondContact O-NZ 2.98Å
658	Q	92.2	Very high	79.8	Confident	73 Å²	73	62.7 Å²	62.7	34%	0.341	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	25.4	-179.8	-51.7	160.6	-65.4	0	0	113.8	L654 R655 Q656 T727 L729	L654-Q658 PolarHBondContact O-N 3.06Å; R655-Q658 WeakPolarHBondContact O-CA 2.98Å; R655-Q658 PolarHBondContact O-N 3.21Å; Q656-Q658 PolarHBondContact O-N 2.81Å; Q658-T727 WeakPolarHBondContact O-CB 3.37Å; Q658-T727 WeakPolarHBondContact O-CG2 3.2Å; Q658-T727 PolarHBondContact O-OG1 3.35Å; Q658-L729 HydrophobicContact CB-CD2 4.17Å
659	A	94.1	Very high	76.8	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.357	C	S	.	.	S	Bend	trans	-80.6	-30	173.8	0	0	0	0	0	112.1	L621 L654 I657 T727 G730 L733	L621-A659 HydrophobicContact CD2-CB 3.78Å; L654-A659 HydrophobicContact CB-CB 4.49Å; L654-A659 HydrophobicContact CD2-CB 4.25Å; L654-A659 WeakPolarHBondContact O-CB 3.34Å; L654-A659 PolarHBondContact O-N 2.89Å; I657-A659 VanDerWaalsContact C-N 3.29Å; I657-A659 HydrophobicContact CD1-CB 4.02Å; I657-A659 HydrophobicContact CG1-CB 3.93Å; I657-A659 PolarHBondContact O-N 2.81Å; A659-T727 PolarHBondContact O-N 3.28Å; A659-T727 PolarHBondContact O-OG1 3.42Å; A659-G730 VanDerWaalsContact O-CA 3.32Å; A659-G730 WeakPolarHBondContact O-CA 3.42Å; A659-L733 HydrophobicContact CB-CD1 4.03Å
660	L	93.8	Very high	74.1	Confident	5 Å²	5	74.7 Å²	74.7	3%	0.026	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	149.7	177.4	-63.4	179.7	0	0	0	111	I620 K624 L651 L654 R655 D724 E725 L726	I620-L660 HydrophobicContact CG2-CD1 4.1Å; K624-L660 HydrophobicContact CB-CD2 4.47Å; K624-L660 HydrophobicContact CG-CD2 4.01Å; L651-L660 HydrophobicContact CD2-CD1 3.8Å; L654-L660 HydrophobicContact CB-CB 4.43Å; L654-L660 HydrophobicContact CB-CD1 3.65Å; L654-L660 HydrophobicContact CB-CG 3.87Å; L654-L660 HydrophobicContact CD1-CD1 3.85Å; L654-L660 HydrophobicContact CD1-CG 4.46Å; L654-L660 HydrophobicContact CG-CD1 4.43Å; L654-L660 PolarHBondContact O-N 3.13Å; R655-L660 WeakPolarHBondContact CA-O 3.33Å; R655-L660 HydrophobicContact CG-CB 4.05Å; L660-D724 HydrophobicContact CB-CB 4.13Å; L660-D724 HydrophobicContact CD1-CB 4.11Å; L660-D724 HydrophobicContact CD2-CB 4.36Å; L660-D724 HydrophobicContact CG-CB 4.43Å; L660-E725 WeakPolarHBondContact CA-O 3.45Å; L660-L726 HydrophobicContact CD2-CD2 3.85Å; L660-L726 HydrophobicContact CD2-CG 4.3Å
661	K	90.6	Very high	70.9	Confident	87 Å²	87	82.1 Å²	82.1	38%	0.378	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	147	167.5	59.6	178.3	167.7	130.6	0	109.8	D724 E725 T727	K661-D724 CarbonylContact O-C 3.59Å; K661-D724 VanDerWaalsContact O-CA 3.28Å; K661-D724 WeakPolarHBondContact O-CA 3.27Å; K661-E725 HydrophobicContact CD-CG 4.23Å; K661-E725 WeakPolarHBondContact CE-OE1 2.77Å; K661-E725 HydrophobicContact CG-CG 3.55Å; K661-E725 PolarHBondContact N-O 2.92Å; K661-E725 IonicContact NZ-OE1 2.8Å; K661-E725 PolarHBondContact NZ-OE1 2.88Å; K661-E725 PolarHBondContact O-N 2.91Å; K661-T727 HydrophobicContact CB-CG2 3.9Å; K661-T727 HydrophobicContact CD-CG2 4.11Å; K661-T727 HydrophobicContact CG-CG2 3.84Å
662	L	87.1	Confident	67.6	Low	84 Å²	84	87.2 Å²	87.2	44%	0.44	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	137.5	173.6	-74.2	168.7	0	0	0	109.2	E664	L662-E664 PolarHBondContact O-N 3.27Å
663	I	80.5	Confident	64.4	Low	91 Å²	91	88.9 Å²	88.9	47%	0.467	47%	0.471	S	S	.	.			trans	-69.9	113.8	168.7	-59.7	169.2	0	0	0	106.4	S665 D723 E725	I663-S665 PolarHBondContact O-N 3.49Å; I663-D723 PolarHBondContact N-O 2.88Å; I663-E725 HydrophobicContact CG1-CB 4.11Å; I663-E725 HydrophobicContact CG1-CG 4.14Å
664	E	67.3	Low	61.2	Low	181 Å²	181	96.8 Å²	96.8	85%	0.846	51%	0.508	S	S	*	.			trans	-69.3	103.6	171.2	-67.2	-176.8	178.8	0	0	107.7	L662 E666	L662-E664 PolarHBondContact O-N 3.27Å; E664-E666 PolarHBondContact O-N 3.25Å; E664-E666 VanDerWaalsContact O-N 3.16Å
665	S	51.3	Low	57.8	Low	76 Å²	76	102 Å²	102	53%	0.531	54%	0.544	S	S	.	.			trans	-60	118.9	167.6	55.4	0	0	0	0	108	I663 T667	I663-S665 PolarHBondContact O-N 3.49Å; S665-T667 PolarHBondContact O-N 3.16Å; S665-T667 PolarHBondContact OG-OG1 3.39Å
666	E	40.5	Very low	54.5	Low	185 Å²	185	106.7 Å²	106.7	86%	0.864	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-59.4	9.3	-179.4	-70	-171.6	151.3	0	0	115	E664 S668	E664-E666 PolarHBondContact O-N 3.25Å; E664-E666 VanDerWaalsContact O-N 3.16Å; E666-S668 PolarHBondContact O-N 2.82Å
667	T	38.1	Very low	51.2	Low	117 Å²	117	111.9 Å²	111.9	72%	0.718	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-84.1	12	-174.1	41.2	0	0	0	0	115.9	S665	S665-T667 PolarHBondContact O-N 3.16Å; S665-T667 PolarHBondContact OG-OG1 3.39Å
668	S	32.2	Very low	48.1	Very low	103 Å²	103	117.8 Å²	117.8	72%	0.72	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-98.4	3	175.1	66.6	0	0	0	0	116.1	E666	E666-S668 PolarHBondContact O-N 2.82Å
669	N	26.9	Very low	44.6	Very low	151 Å²	151	126.2 Å²	126.2	81%	0.807	66%	0.664	S	S	*	*	S	Bend	trans	-107.2	1.7	173.5	-85	-19.8	0	0	0	115.9	N671	N669-N671 PolarHBondContact O-N 3.39Å
670	F	28.2	Very low	41.2	Very low	175 Å²	175	129.6 Å²	129.6	77%	0.768	70%	0.698	S	S	*	*			trans	-93.1	71.8	169.2	-79	-82.4	0	0	0	111.5	T672	F670-T672 PolarHBondContact O-N 3.44Å
671	N	23.8	Very low	37.7	Very low	160 Å²	160	138.9 Å²	138.9	86%	0.856	74%	0.741	S	S	*	*			trans	-68.6	79	157.1	-88.2	-27.5	0	0	0	109.1	N669	N669-N671 PolarHBondContact O-N 3.39Å
672	T	24.8	Very low	34.5	Very low	107 Å²	107	139.4 Å²	139.4	66%	0.656	76%	0.756	S	S	*	*			trans	-127.9	104	157.2	45.9	0	0	0	0	108.9	F670 H674	F670-T672 PolarHBondContact O-N 3.44Å; T672-H674 PolarHBondContact O-N 3.13Å
673	S	21.9	Very low	31.7	Very low	113 Å²	113	143.2 Å²	143.2	79%	0.79	77%	0.772	S	S	*	*			trans	-48.3	95.3	166.9	46.3	0	0	0	0	111.9
674	H	23	Very low	29.1	Very low	180 Å²	180	148.5 Å²	148.5	83%	0.833	79%	0.791	S	S	*	*			trans	-146.3	119.2	153.4	-92.9	-62	0	0	0	111.8	T672 I676	T672-H674 PolarHBondContact O-N 3.13Å; H674-I676 PolarHBondContact O-N 3.02Å
675	S	21.8	Very low	27.4	Very low	109 Å²	109	147 Å²	147	76%	0.762	79%	0.788	S	S	*	*			trans	-47	116.4	174	-176.5	0	0	0	0	112.8
676	I	23.9	Very low	26.4	Very low	162 Å²	162	150 Å²	150	83%	0.831	80%	0.798	S	S	*	*			trans	-114.3	111.3	165.1	-61	179	0	0	0	108.5	H674 S678	H674-I676 PolarHBondContact O-N 3.02Å; I676-S678 PolarHBondContact O-N 3.36Å
677	K	22.1	Very low	26.3	Very low	190 Å²	190	149.8 Å²	149.8	83%	0.826	79%	0.789	S	S	*	*			trans	-65.5	115.3	177.2	-69.9	171.5	175.7	172.8	0	110	R679	K677-R679 PolarHBondContact O-N 3.24Å
678	S	25.8	Very low	26.1	Very low	124 Å²	124	151.5 Å²	151.5	87%	0.867	79%	0.787	S	S	*	*			trans	-69.4	124.3	172.6	63.7	0	0	0	0	111.5	I676	I676-S678 PolarHBondContact O-N 3.36Å
679	R	18.7	Very low	26.6	Very low	251 Å²	251	150.3 Å²	150.3	95%	0.947	78%	0.779	S	S	*	*			trans	-131.1	133.7	174.2	-144.8	179.8	-177.2	175.6	-0.4	108.5	K677	K677-R679 PolarHBondContact O-N 3.24Å
680	G	23.4	Very low	27.1	Very low	71 Å²	71	149 Å²	149	73%	0.732	77%	0.771	S	S	*	*			trans	105.2	92.4	172.3	0	0	0	0	0	113.5
681	Q	20.6	Very low	27.6	Very low	199 Å²	199	149 Å²	149	93%	0.93	77%	0.766	S	S	*	*				48.9	94.3	84.9	-70.4	-171.5	-3.9	0	0	114.9
682	S	23.3	Very low	28.5	Very low	99 Å²	99	147.3 Å²	147.3	69%	0.692	75%	0.753	S	S	*	*				-168.7	156.7	117.7	-145.1	0	0	0	0	113.7
683	H	27.4	Very low	29.4	Very low	164 Å²	164	148.9 Å²	148.9	76%	0.759	75%	0.751	S	S	*	*			trans	64.4	94.7	171.9	-61.6	-67.2	0	0	0	120.7	L685	H683-L685 PolarHBondContact O-N 2.79Å; H683-L685 VanDerWaalsContact O-N 3.16Å
684	K	27.1	Very low	30.2	Very low	201 Å²	201	145.9 Å²	145.9	87%	0.874	73%	0.73	S	S	*	*			trans	-68	91.7	167.5	-69.4	171.3	175.8	171	0	111.1
685	L	31.3	Very low	31.2	Very low	150 Å²	150	142.9 Å²	142.9	79%	0.785	72%	0.716	S	S	*	*			trans	-98.5	149.6	156.7	-80.5	159.3	0	0	0	109.9	H683 R687	H683-L685 PolarHBondContact O-N 2.79Å; H683-L685 VanDerWaalsContact O-N 3.16Å; L685-R687 PolarHBondContact O-N 3.21Å
686	N	30.9	Very low	32.3	Very low	138 Å²	138	140.2 Å²	140.2	74%	0.738	70%	0.701	S	S	*	*			trans	-54.5	79.3	-156.2	-132.1	-19.4	0	0	0	115.8	K688	N686-K688 PolarHBondContact O-N 2.9Å
687	R	37.1	Very low	33	Very low	181 Å²	181	136.6 Å²	136.6	68%	0.683	68%	0.682	S	S	*	*	H	α-helix	trans	-62	-7.5	-178.7	-74.5	-178.4	173	142.8	0.3	116	L685 R691	L685-R687 PolarHBondContact O-N 3.21Å; R687-R691 PolarHBondContact O-N 3.3Å
688	K	35.2	Very low	33.7	Very low	154 Å²	154	133.9 Å²	133.9	67%	0.67	67%	0.67	S	S	*	*	H	α-helix	trans	-77.7	-37.6	-169.6	-148.7	176.3	-177.7	-179.1	0	113.1	N686 E692	N686-K688 PolarHBondContact O-N 2.9Å; K688-E692 PolarHBondContact O-N 3.32Å
689	S	42.3	Very low	34.4	Very low	78 Å²	78	136 Å²	136	55%	0.545	66%	0.664	S	S	.	*	H	α-helix	trans	-72.8	-36.9	179.2	54.4	0	0	0	0	113.1	F693	S689-F693 PolarHBondContact O-N 3.1Å; S689-F693 VanDerWaalsContact O-N 3.12Å
690	L	36.4	Very low	35.4	Very low	124 Å²	124	130.2 Å²	130.2	65%	0.649	65%	0.652	S	S	*	*	H	α-helix	trans	-73.1	-33.7	178.1	-85.3	158.5	0	0	0	112.8	F693 S694	L690-F693 PolarHBondContact O-N 2.74Å; L690-S694 VanDerWaalsContact O-CB 3.24Å; L690-S694 WeakPolarHBondContact O-CB 3.28Å; L690-S694 PolarHBondContact O-N 3.16Å
691	R	38.4	Very low	36.1	Very low	173 Å²	173	130.4 Å²	130.4	65%	0.653	64%	0.639	S	S	*	*	H	α-helix	trans	-65.8	-44	171.6	-90.1	-172.4	175.9	-179.5	-2.7	111.9	R687 F693 S694 E695	R687-R691 PolarHBondContact O-N 3.3Å; R691-F693 VanDerWaalsContact C-N 3.28Å; R691-F693 PolarHBondContact O-N 3.2Å; R691-S694 PolarHBondContact O-N 3.27Å; R691-E695 VanDerWaalsContact O-CB 3.23Å; R691-E695 WeakPolarHBondContact O-CB 3.45Å; R691-E695 VanDerWaalsContact O-CG 3.28Å; R691-E695 WeakPolarHBondContact O-CG 3.22Å; R691-E695 PolarHBondContact O-N 3.1Å
692	E	43.9	Very low	36.7	Very low	126 Å²	126	127.3 Å²	127.3	59%	0.589	63%	0.629	S	S	*	*	H	α-helix	trans	-63	-36.5	177.2	-74.1	174.8	-174.9	0	0	111.6	K688 A696	K688-E692 PolarHBondContact O-N 3.32Å; E692-A696 WeakPolarHBondContact O-CB 3.37Å; E692-A696 PolarHBondContact O-N 2.74Å
693	F	42.8	Very low	37.4	Very low	139 Å²	139	126.9 Å²	126.9	61%	0.61	63%	0.631	S	S	*	*	H	α-helix	trans	-70.8	-44.5	175	-170.5	-104.6	0	0	0	112.9	S689 L690 R691 A696 I697	S689-F693 PolarHBondContact O-N 3.1Å; S689-F693 VanDerWaalsContact O-N 3.12Å; L690-F693 PolarHBondContact O-N 2.74Å; R691-F693 VanDerWaalsContact C-N 3.28Å; R691-F693 PolarHBondContact O-N 3.2Å; F693-A696 PolarHBondContact O-N 3.22Å; F693-I697 HydrophobicContact CD1-CD1 3.93Å; F693-I697 HydrophobicContact CE1-CD1 3.47Å; F693-I697 VanDerWaalsContact CE1-CD1 3.47Å; F693-I697 HydrophobicContact CE1-CG1 4.49Å; F693-I697 HydrophobicContact CZ-CD1 3.92Å; F693-I697 WeakPolarHBondContact O-CG1 3.33Å; F693-I697 PolarHBondContact O-N 3.45Å; F693-I697 VanDerWaalsContact O-N 3.08Å
694	S	39.5	Very low	37.6	Very low	51 Å²	51	122.2 Å²	122.2	36%	0.357	62%	0.617	S	S	.	*	H	α-helix	trans	-65.3	-38.3	176	179.9	0	0	0	0	112.3	L690 R691 I697 K698	L690-S694 VanDerWaalsContact O-CB 3.24Å; L690-S694 WeakPolarHBondContact O-CB 3.28Å; L690-S694 PolarHBondContact O-N 3.16Å; R691-S694 PolarHBondContact O-N 3.27Å; S694-I697 PolarHBondContact O-N 3.35Å; S694-K698 WeakPolarHBondContact O-CB 3.42Å; S694-K698 WeakPolarHBondContact O-CG 3.31Å; S694-K698 PolarHBondContact O-N 3.23Å
695	E	44.4	Very low	37.5	Very low	117 Å²	117	116.2 Å²	116.2	55%	0.547	61%	0.612	S	S	.	*	H	α-helix	trans	-69.4	-33.2	175.8	-76.8	174.3	-175.1	0	0	112.1	R691 K699	R691-E695 VanDerWaalsContact O-CB 3.23Å; R691-E695 WeakPolarHBondContact O-CB 3.45Å; R691-E695 VanDerWaalsContact O-CG 3.28Å; R691-E695 WeakPolarHBondContact O-CG 3.22Å; R691-E695 PolarHBondContact O-N 3.1Å; E695-K699 WeakPolarHBondContact O-CB 3.39Å; E695-K699 PolarHBondContact O-N 3.28Å
696	A	43.1	Very low	37.5	Very low	53 Å²	53	114.1 Å²	114.1	44%	0.438	60%	0.6	S	S	.	*	H	α-helix	trans	-64.7	-46.4	171.7	0	0	0	0	0	111.4	E692 F693 K699 D700	E692-A696 WeakPolarHBondContact O-CB 3.37Å; E692-A696 PolarHBondContact O-N 2.74Å; F693-A696 PolarHBondContact O-N 3.22Å; A696-K699 PolarHBondContact O-N 3.32Å; A696-D700 PolarHBondContact O-N 3Å; A696-D700 VanDerWaalsContact O-N 3.12Å
697	I	39.3	Very low	37.2	Very low	86 Å²	86	115.3 Å²	115.3	44%	0.441	61%	0.607	S	S	.	*	H	α-helix	trans	-64	-42.1	175.9	-66.1	176.4	0	0	0	110.9	F693 S694 K699 D700 V701	F693-I697 HydrophobicContact CD1-CD1 3.93Å; F693-I697 HydrophobicContact CE1-CD1 3.47Å; F693-I697 VanDerWaalsContact CE1-CD1 3.47Å; F693-I697 HydrophobicContact CE1-CG1 4.49Å; F693-I697 HydrophobicContact CZ-CD1 3.92Å; F693-I697 WeakPolarHBondContact O-CG1 3.33Å; F693-I697 PolarHBondContact O-N 3.45Å; F693-I697 VanDerWaalsContact O-N 3.08Å; S694-I697 PolarHBondContact O-N 3.35Å; I697-K699 VanDerWaalsContact C-N 3.32Å; I697-K699 PolarHBondContact O-N 2.9Å; I697-D700 PolarHBondContact O-N 3.08Å; I697-V701 HydrophobicContact CG2-CG2 4.2Å; I697-V701 VanDerWaalsContact O-CG2 3.25Å; I697-V701 WeakPolarHBondContact O-CG2 3.3Å; I697-V701 PolarHBondContact O-N 3.03Å
698	K	37.1	Very low	36.8	Very low	132 Å²	132	112 Å²	112	57%	0.574	60%	0.601	S	S	*	*	H	α-helix	trans	-64.1	-34.3	176.3	-78	179.9	179.5	-177.6	0	112.9	S694 N702	S694-K698 WeakPolarHBondContact O-CB 3.42Å; S694-K698 WeakPolarHBondContact O-CG 3.31Å; S694-K698 PolarHBondContact O-N 3.23Å; K698-N702 WeakPolarHBondContact O-CB 3.15Å; K698-N702 PolarHBondContact O-N 3.37Å
699	K	41.1	Very low	36.4	Very low	168 Å²	168	113 Å²	113	73%	0.73	61%	0.614	S	S	*	*	H	α-helix	trans	-66.4	-41.1	173.7	-98.6	-176.6	173.3	177.5	0	112	E695 A696 I697 A703	E695-K699 WeakPolarHBondContact O-CB 3.39Å; E695-K699 PolarHBondContact O-N 3.28Å; A696-K699 PolarHBondContact O-N 3.32Å; I697-K699 VanDerWaalsContact C-N 3.32Å; I697-K699 PolarHBondContact O-N 2.9Å; K699-A703 PolarHBondContact O-N 3.12Å
700	D	38.7	Very low	35.5	Very low	130 Å²	130	112.4 Å²	112.4	70%	0.695	62%	0.619	S	S	*	*	H	α-helix	trans	-69.8	-36.3	177.3	-80.1	-8.9	0	0	0	112.2	A696 I697	A696-D700 PolarHBondContact O-N 3Å; A696-D700 VanDerWaalsContact O-N 3.12Å; I697-D700 PolarHBondContact O-N 3.08Å
701	V	39.1	Very low	35	Very low	76 Å²	76	110.6 Å²	110.6	46%	0.461	62%	0.617	S	S	.	*	H	α-helix	trans	-70.9	-43.1	177.2	175.1	0	0	0	0	111.3	I697 A703 S704	I697-V701 HydrophobicContact CG2-CG2 4.2Å; I697-V701 VanDerWaalsContact O-CG2 3.25Å; I697-V701 WeakPolarHBondContact O-CG2 3.3Å; I697-V701 PolarHBondContact O-N 3.03Å; V701-A703 VanDerWaalsContact C-N 3.3Å; V701-A703 PolarHBondContact O-N 3.05Å; V701-S704 PolarHBondContact O-N 3.17Å; V701-S704 VanDerWaalsContact O-N 3.11Å; V701-S704 PolarHBondContact O-OG 3.17Å
702	N	33.2	Very low	34.3	Very low	133 Å²	133	108.1 Å²	108.1	71%	0.711	63%	0.626	S	S	*	*	H	α-helix	trans	-67.8	-27	178.3	-76.6	-10.2	0	0	0	113.4	K698 S704	K698-N702 WeakPolarHBondContact O-CB 3.15Å; K698-N702 PolarHBondContact O-N 3.37Å; N702-S704 PolarHBondContact O-N 3.32Å
703	A	37.3	Very low	33.4	Very low	90 Å²	90	107.4 Å²	107.4	74%	0.744	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	-17.5	174.1	0	0	0	0	0	113.1	K699 V701	K699-A703 PolarHBondContact O-N 3.12Å; V701-A703 VanDerWaalsContact C-N 3.3Å; V701-A703 PolarHBondContact O-N 3.05Å
704	S	31.2	Very low	32.6	Very low	67 Å²	67	107.5 Å²	107.5	47%	0.469	64%	0.639	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.1	-5	-176.1	67.6	0	0	0	0	115.1	V701 N702 I706	V701-S704 PolarHBondContact O-N 3.17Å; V701-S704 VanDerWaalsContact O-N 3.11Å; V701-S704 PolarHBondContact O-OG 3.17Å; N702-S704 PolarHBondContact O-N 3.32Å; S704-I706 WeakPolarHBondContact O-CG1 3.24Å; S704-I706 PolarHBondContact O-N 2.77Å; S704-I706 VanDerWaalsContact O-N 3.17Å
705	G	25.3	Very low	32	Very low	74 Å²	74	112.3 Å²	112.3	76%	0.763	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	63	21.2	170.3	0	0	0	0	0	115.9
706	I	31	Very low	31.3	Very low	106 Å²	106	114.1 Å²	114.1	54%	0.544	67%	0.668	S	S	.	*			trans	-101.9	101.6	-174.3	-40.1	-173.1	0	0	0	111.1	S704 I708	S704-I706 WeakPolarHBondContact O-CG1 3.24Å; S704-I706 PolarHBondContact O-N 2.77Å; S704-I706 VanDerWaalsContact O-N 3.17Å; I706-I708 HydrophobicContact CB-CG1 4.34Å; I706-I708 HydrophobicContact CG2-CD1 3.82Å; I706-I708 HydrophobicContact CG2-CG1 3.38Å; I706-I708 PolarHBondContact O-N 2.88Å
707	N	24.9	Very low	30.8	Very low	163 Å²	163	117.4 Å²	117.4	87%	0.872	68%	0.679	S	S	*	*			trans	-76.6	93.1	164	-85.7	-26	0	0	0	109.3	L709	N707-L709 PolarHBondContact O-N 2.85Å
708	I	29.1	Very low	30.7	Very low	111 Å²	111	119.2 Å²	119.2	57%	0.569	70%	0.699	S	S	*	*			trans	-96.2	84.4	170.2	-50.6	-175.6	0	0	0	108.7	I706	I706-I708 HydrophobicContact CB-CG1 4.34Å; I706-I708 HydrophobicContact CG2-CD1 3.82Å; I706-I708 HydrophobicContact CG2-CG1 3.38Å; I706-I708 PolarHBondContact O-N 2.88Å
709	L	26.2	Very low	30.9	Very low	177 Å²	177	117.2 Å²	117.2	93%	0.927	70%	0.698	S	S	*	*			trans	-98.4	94.7	156.5	-82.3	162.2	0	0	0	106.4	N707	N707-L709 PolarHBondContact O-N 2.85Å
710	G	24.3	Very low	31.3	Very low	64 Å²	64	113.8 Å²	113.8	66%	0.66	69%	0.688	S	S	*	*	S	Bend	trans	145.4	58.6	177	0	0	0	0	0	114
711	S	25.5	Very low	32.3	Very low	87 Å²	87	112 Å²	112	61%	0.608	68%	0.675	S	S	*	*	S	Bend	trans	-172.6	123.9	156.6	-71.9	0	0	0	0	105	C713	S711-C713 PolarHBondContact O-N 3.27Å
712	S	24.5	Very low	33.8	Very low	120 Å²	120	108.8 Å²	108.8	84%	0.839	66%	0.655	S	S	*	*			trans	-60.2	73.4	-179.8	-43.8	0	0	0	0	111.5	I714	S712-I714 PolarHBondContact O-N 3.48Å
713	C	24.1	Very low	36	Very low	111 Å²	111	104.9 Å²	104.9	75%	0.75	63%	0.634	S	S	*	*			trans	-68.8	90.4	155.5	-71.1	0	0	0	0	104.7	S711 H715	S711-C713 PolarHBondContact O-N 3.27Å; C713-H715 PolarHBondContact O-N 2.94Å
714	I	26.7	Very low	38.3	Very low	141 Å²	141	100.9 Å²	100.9	72%	0.723	60%	0.6	S	S	*	*			trans	-47.3	111.3	166.4	-62.4	167.6	0	0	0	105.3	S712 L716	S712-I714 PolarHBondContact O-N 3.48Å; I714-L716 VanDerWaalsContact C-N 3.29Å; I714-L716 PolarHBondContact O-N 2.74Å
715	H	25.5	Very low	41	Very low	152 Å²	152	101.5 Å²	101.5	70%	0.704	60%	0.596	S	S	*	*			trans	-55.8	99.5	168.9	-100.6	-80.3	0	0	0	106.2	C713 D717	C713-H715 PolarHBondContact O-N 2.94Å; H715-D717 PolarHBondContact O-N 3.44Å; H715-D717 VanDerWaalsContact O-N 3.08Å
716	L	30.9	Very low	44.2	Very low	155 Å²	155	99.3 Å²	99.3	81%	0.812	57%	0.567	S	S	*	*			trans	-71.5	16.1	165.7	-77.9	162.2	0	0	0	111.7	I714	I714-L716 VanDerWaalsContact C-N 3.29Å; I714-L716 PolarHBondContact O-N 2.74Å
717	D	32.5	Very low	47.1	Very low	123 Å²	123	94.9 Å²	94.9	66%	0.658	55%	0.545	S	S	*	.	S	Bend	trans	-101.3	113.7	166.9	-81.2	-30.4	0	0	0	107.3	H715	H715-D717 PolarHBondContact O-N 3.44Å; H715-D717 VanDerWaalsContact O-N 3.08Å
718	S	37.2	Very low	50.3	Low	124 Å²	124	87.9 Å²	87.9	87%	0.867	51%	0.508	S	S	*	.	S	Bend	trans	101.7	8.9	162.5	76	0	0	0	0	121.7
719	T	40.4	Very low	53.4	Low	90 Å²	90	82.8 Å²	82.8	55%	0.552	48%	0.482	S	S	*	.	S	Bend	trans	-87.1	125.7	153.9	47.9	0	0	0	0	108.6	E721	T719-E721 PolarHBondContact O-N 2.93Å
720	D	50.7	Low	56.6	Low	96 Å²	96	74.3 Å²	74.3	51%	0.513	44%	0.438	S	S	.	.			trans	-54.2	117.7	173.3	-83.4	-25.7	0	0	0	107.8	R630 D722 D723	R630-D720 IonicContact CZ-OD2 3.26Å; R630-D720 IonicContact NH1-OD2 2.63Å; R630-D720 PolarHBondContact NH1-OD2 3.14Å; R630-D720 IonicContact NH2-OD2 3.5Å; D720-D722 PolarHBondContact O-N 2.66Å; D720-D723 PolarHBondContact O-N 3.39Å
721	E	59.1	Low	59.8	Low	93 Å²	93	71.9 Å²	71.9	44%	0.435	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	4.7	-173.7	-62.6	177.3	145.1	0	0	115.4	K632 S648 L651 R655 T719	K632-E721 IonicContact NZ-OE2 2.74Å; K632-E721 PolarHBondContact NZ-OE2 3.14Å; S648-E721 WeakPolarHBondContact CB-OE2 3.27Å; S648-E721 PolarHBondContact OG-OE2 3.06Å; L651-E721 WeakPolarHBondContact CD1-O 3.27Å; R655-E721 PolarHBondContact NH2-O 3.39Å; T719-E721 PolarHBondContact O-N 2.93Å
722	D	70.5	Confident	62.9	Low	7 Å²	7	68 Å²	68	4%	0.037	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-0.4	-170.4	-163.4	1.7	0	0	0	113.7	K624 R630 V631 K632 D720 D724	K624-D722 PolarHBondContact NZ-O 3.18Å; K624-D722 IonicContact NZ-OD1 2.81Å; R630-D722 VanDerWaalsContact C-OD2 3.32Å; R630-D722 WeakPolarHBondContact CB-OD2 3.4Å; V631-D722 WeakPolarHBondContact CB-OD1 3.25Å; V631-D722 WeakPolarHBondContact CG2-OD1 3.43Å; V631-D722 PolarHBondContact N-OD1 2.99Å; V631-D722 PolarHBondContact N-OD2 3.21Å; K632-D722 WeakPolarHBondContact CB-OD2 3.28Å; K632-D722 HydrophobicContact CD-CB 4.49Å; K632-D722 PolarHBondContact N-OD2 3.35Å; D720-D722 PolarHBondContact O-N 2.66Å; D722-D724 PolarHBondContact O-N 3.17Å
723	D	78.9	Confident	66.2	Low	52 Å²	52	62.4 Å²	62.4	28%	0.278	34%	0.343	S	S	.	.			trans	-78	58.6	175.2	-68.5	-28.3	0	0	0	111.2	R630 I663 D720	R630-D723 IonicContact CZ-OD1 3.53Å; R630-D723 VanDerWaalsContact CZ-OD1 3.24Å; R630-D723 IonicContact NE-OD1 3.48Å; R630-D723 PolarHBondContact NE-OD1 3.29Å; R630-D723 VanDerWaalsContact NE-OD1 3.09Å; R630-D723 IonicContact NH2-OD1 3.22Å; R630-D723 PolarHBondContact NH2-OD1 2.91Å; R630-D723 IonicContact NH2-OD2 3.64Å; R630-D723 PolarHBondContact NH2-OD2 3.44Å; I663-D723 PolarHBondContact N-O 2.88Å; D720-D723 PolarHBondContact O-N 3.39Å
724	D	86.1	Confident	69.2	Low	5 Å²	5	58 Å²	58	3%	0.027	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	144.7	173.7	-65.3	-62.5	0	0	0	112.1	K624 R655 L660 K661 D722	K624-D724 VanDerWaalsContact CE-O 3.23Å; K624-D724 WeakPolarHBondContact CE-O 3.36Å; K624-D724 PolarHBondContact NZ-O 3.15Å; R655-D724 IonicContact CZ-OD1 2.74Å; R655-D724 VanDerWaalsContact CZ-OD1 3.26Å; R655-D724 IonicContact CZ-OD2 3.49Å; R655-D724 IonicContact NE-OD1 3.2Å; R655-D724 PolarHBondContact NE-OD1 2.98Å; R655-D724 IonicContact NE-OD2 2.86Å; R655-D724 PolarHBondContact NE-OD2 2.7Å; R655-D724 IonicContact NH2-OD1 3.41Å; R655-D724 PolarHBondContact NH2-OD1 3.04Å; R655-D724 IonicContact NH2-OD2 3.24Å; R655-D724 PolarHBondContact NH2-OD2 3.4Å; L660-D724 HydrophobicContact CB-CB 4.13Å; L660-D724 HydrophobicContact CD1-CB 4.11Å; L660-D724 HydrophobicContact CD2-CB 4.36Å; L660-D724 HydrophobicContact CG-CB 4.43Å; K661-D724 CarbonylContact O-C 3.59Å; K661-D724 VanDerWaalsContact O-CA 3.28Å; K661-D724 WeakPolarHBondContact O-CA 3.27Å; D722-D724 PolarHBondContact O-N 3.17Å
725	E	88.4	Confident	72	Confident	80 Å²	80	53.2 Å²	53.2	37%	0.374	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	156.7	164	62.5	176.2	171.6	0	0	111.2	L660 K661 I663 T727	L660-E725 WeakPolarHBondContact CA-O 3.45Å; K661-E725 HydrophobicContact CD-CG 4.23Å; K661-E725 WeakPolarHBondContact CE-OE1 2.77Å; K661-E725 HydrophobicContact CG-CG 3.55Å; K661-E725 PolarHBondContact N-O 2.92Å; K661-E725 IonicContact NZ-OE1 2.8Å; K661-E725 PolarHBondContact NZ-OE1 2.88Å; K661-E725 PolarHBondContact O-N 2.91Å; I663-E725 HydrophobicContact CG1-CB 4.11Å; I663-E725 HydrophobicContact CG1-CG 4.14Å; E725-T727 PolarHBondContact O-N 2.97Å
726	L	91.1	Very high	74.8	Confident	29 Å²	29	46.5 Å²	46.5	15%	0.152	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	130.8	171.1	-78.9	167.2	0	0	0	109.5	L621 K624 L625 L660 V731	L621-L726 HydrophobicContact CD2-CD2 3.7Å; K624-L726 HydrophobicContact CB-CD1 3.91Å; K624-L726 HydrophobicContact CB-CD2 4.17Å; K624-L726 HydrophobicContact CB-CG 3.7Å; L625-L726 VanDerWaalsContact CA-CD1 3.46Å; L625-L726 HydrophobicContact CB-CD1 4.04Å; L625-L726 HydrophobicContact CD1-CD1 4.14Å; L660-L726 HydrophobicContact CD2-CD2 3.85Å; L660-L726 HydrophobicContact CD2-CG 4.3Å; L726-V731 HydrophobicContact CB-CG2 3.9Å; L726-V731 HydrophobicContact CD1-CG2 4.19Å
727	T	93.4	Very high	77.2	Confident	13 Å²	13	40.8 Å²	40.8	8%	0.08	23%	0.231	C	C	.	.			trans	-70.7	162.6	163.7	68.1	0	0	0	0	109.3	Q658 A659 K661 E725 L729 G730 V731	Q658-T727 WeakPolarHBondContact O-CB 3.37Å; Q658-T727 WeakPolarHBondContact O-CG2 3.2Å; Q658-T727 PolarHBondContact O-OG1 3.35Å; A659-T727 PolarHBondContact O-N 3.28Å; A659-T727 PolarHBondContact O-OG1 3.42Å; K661-T727 HydrophobicContact CB-CG2 3.9Å; K661-T727 HydrophobicContact CD-CG2 4.11Å; K661-T727 HydrophobicContact CG-CG2 3.84Å; E725-T727 PolarHBondContact O-N 2.97Å; T727-L729 PolarHBondContact O-N 2.75Å; T727-L729 PolarHBondContact OG1-N 2.67Å; T727-G730 CarbonylContact O-C 3.55Å; T727-G730 WeakPolarHBondContact O-CA 3.48Å; T727-G730 PolarHBondContact O-N 2.94Å; T727-G730 PolarHBondContact OG1-N 3.26Å; T727-V731 PolarHBondContact O-N 3.19Å
728	P	91.5	Very high	79.7	Confident	16 Å²	16	35.3 Å²	35.3	10%	0.104	20%	0.202	C	C	.	.	H	α-helix	trans	-53.3	-41.4	170.6	-27.5	36.4	0	0	0	112.2	V731 H732 F1004 K1005	P728-V731 PolarHBondContact O-N 2.98Å; P728-H732 PolarHBondContact O-CD2 2.85Å; P728-H732 PolarHBondContact O-N 2.91Å; P728-F1004 HydrophobicContact CB-CB 3.62Å; P728-K1005 HydrophobicContact CB-CG 3.94Å; P728-K1005 HydrophobicContact CG-CD 4.41Å; P728-K1005 HydrophobicContact CG-CG 3.53Å
729	L	94.1	Very high	82.3	Confident	3 Å²	3	31.3 Å²	31.3	2%	0.016	17%	0.171	C	C	.	.	H	α-helix	trans	-59.2	-47.8	171.5	178.6	59.6	0	0	0	111.2	Q658 T727 V731 H732 L733 K744 I747 F1004	Q658-L729 HydrophobicContact CB-CD2 4.17Å; T727-L729 PolarHBondContact O-N 2.75Å; T727-L729 PolarHBondContact OG1-N 2.67Å; L729-V731 VanDerWaalsContact C-N 3.28Å; L729-V731 PolarHBondContact O-N 3.19Å; L729-H732 CarbonylContact O-C 3.56Å; L729-H732 WeakPolarHBondContact O-CA 3.28Å; L729-H732 VanDerWaalsContact O-CB 3.32Å; L729-H732 WeakPolarHBondContact O-CB 3.47Å; L729-H732 PolarHBondContact O-N 3.36Å; L729-L733 HydrophobicContact CD1-CD2 3.84Å; L729-L733 HydrophobicContact CD1-CG 4.08Å; L729-L733 HydrophobicContact CG-CD1 4.14Å; L729-L733 HydrophobicContact CG-CD2 4.32Å; L729-L733 HydrophobicContact CG-CG 4.04Å; L729-L733 WeakPolarHBondContact O-CG 3.41Å; L729-L733 PolarHBondContact O-N 3.49Å; L729-K744 HydrophobicContact CD2-CD 4.31Å; L729-I747 HydrophobicContact CD1-CD1 3.81Å; L729-F1004 HydrophobicContact CB-CD2 3.69Å; L729-F1004 HydrophobicContact CB-CE2 3.89Å; L729-F1004 HydrophobicContact CB-CG 4.08Å; L729-F1004 HydrophobicContact CB-CZ 4.47Å; L729-F1004 HydrophobicContact CD1-CD1 4.25Å; L729-F1004 HydrophobicContact CD1-CE1 3.96Å; L729-F1004 HydrophobicContact CD1-CE2 4.23Å; L729-F1004 HydrophobicContact CD1-CZ 3.95Å; L729-F1004 HydrophobicContact CD2-CE2 4.08Å; L729-F1004 HydrophobicContact CD2-CZ 4.28Å; L729-F1004 HydrophobicContact CG-CE2 4.28Å; L729-F1004 HydrophobicContact CG-CZ 4.46Å
730	G	94	Very high	84.8	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-55	-40.6	177.3	0	0	0	0	0	113.3	A659 T727 H732 L733 A734	A659-G730 VanDerWaalsContact O-CA 3.32Å; A659-G730 WeakPolarHBondContact O-CA 3.42Å; T727-G730 CarbonylContact O-C 3.55Å; T727-G730 WeakPolarHBondContact O-CA 3.48Å; T727-G730 PolarHBondContact O-N 2.94Å; T727-G730 PolarHBondContact OG1-N 3.26Å; G730-H732 VanDerWaalsContact C-N 3.32Å; G730-H732 PolarHBondContact O-N 3.03Å; G730-L733 PolarHBondContact O-N 3.44Å; G730-A734 VanDerWaalsContact O-CB 3.24Å; G730-A734 WeakPolarHBondContact O-CB 3.38Å; G730-A734 PolarHBondContact O-N 2.96Å
731	V	90.6	Very high	87	Confident	13 Å²	13	22.5 Å²	22.5	8%	0.079	12%	0.12	C	C	.	.	H	α-helix	trans	-60	-43.5	172.9	177.1	0	0	0	0	110.6	L625 L726 T727 P728 L729 N735	L625-V731 HydrophobicContact CD1-CG1 4.32Å; L726-V731 HydrophobicContact CB-CG2 3.9Å; L726-V731 HydrophobicContact CD1-CG2 4.19Å; T727-V731 PolarHBondContact O-N 3.19Å; P728-V731 PolarHBondContact O-N 2.98Å; L729-V731 VanDerWaalsContact C-N 3.28Å; L729-V731 PolarHBondContact O-N 3.19Å; V731-N735 WeakPolarHBondContact O-CB 3.31Å; V731-N735 PolarHBondContact O-N 3.41Å; V731-N735 PolarHBondContact O-ND2 3.18Å
732	H	91.2	Very high	88.7	Confident	5 Å²	5	18.1 Å²	18.1	2%	0.023	10%	0.1	C	C	.	.	H	α-helix	trans	-61.8	-52.7	173.9	-70	-73.1	0	0	0	111.2	P728 L729 G730 A734 N735 F736 I747 Y848 F1004 P1007	P728-H732 PolarHBondContact O-CD2 2.85Å; P728-H732 PolarHBondContact O-N 2.91Å; L729-H732 CarbonylContact O-C 3.56Å; L729-H732 WeakPolarHBondContact O-CA 3.28Å; L729-H732 VanDerWaalsContact O-CB 3.32Å; L729-H732 WeakPolarHBondContact O-CB 3.47Å; L729-H732 PolarHBondContact O-N 3.36Å; G730-H732 VanDerWaalsContact C-N 3.32Å; G730-H732 PolarHBondContact O-N 3.03Å; H732-A734 VanDerWaalsContact C-N 3.34Å; H732-A734 PolarHBondContact O-N 2.71Å; H732-N735 PolarHBondContact O-N 3.46Å; H732-F736 HydrophobicContact CB-CE2 4.3Å; H732-F736 WeakPolarHBondContact O-CD2 3.41Å; H732-F736 PolarHBondContact O-N 2.93Å; H732-F736 VanDerWaalsContact O-N 3.12Å; H732-I747 HydrophobicContact CB-CD1 3.67Å; H732-Y848 PolarHBondContact CD2-OH 3.17Å; H732-Y848 AromaticContact CE1-CE2 3.88Å; H732-Y848 PolarHBondContact CE1-OH 2.81Å; H732-Y848 AromaticContact ND1-CE2 3.75Å; H732-Y848 PolarHBondContact NE2-OH 3.36Å; H732-Y848 VanDerWaalsContact NE2-OH 3.17Å; H732-F1004 PolarHBondContact NE2-O 2.94Å; H732-P1007 VanDerWaalsContact CE1-CG 3.41Å; H732-P1007 WeakPolarHBondContact CE1-CG 3.47Å
733	L	93	Very high	89.9	Confident	3 Å²	3	17.8 Å²	17.8	2%	0.016	10%	0.098	C	C	.	.	H	α-helix	trans	-57.4	-45.3	-177	-57.7	-169.1	0	0	0	112	I657 A659 L729 G730 N735 F736 P740 A743 K744 I747	I657-L733 HydrophobicContact CD1-CD1 4.07Å; A659-L733 HydrophobicContact CB-CD1 4.03Å; L729-L733 HydrophobicContact CD1-CD2 3.84Å; L729-L733 HydrophobicContact CD1-CG 4.08Å; L729-L733 HydrophobicContact CG-CD1 4.14Å; L729-L733 HydrophobicContact CG-CD2 4.32Å; L729-L733 HydrophobicContact CG-CG 4.04Å; L729-L733 WeakPolarHBondContact O-CG 3.41Å; L729-L733 PolarHBondContact O-N 3.49Å; G730-L733 PolarHBondContact O-N 3.44Å; L733-N735 PolarHBondContact O-N 3.05Å; L733-F736 PolarHBondContact O-N 2.93Å; L733-P740 HydrophobicContact CB-CB 4.34Å; L733-P740 HydrophobicContact CD1-CB 4.22Å; L733-P740 WeakPolarHBondContact CD2-O 3.13Å; L733-A743 HydrophobicContact CD2-CB 3.73Å; L733-K744 HydrophobicContact CD1-CB 4.45Å; L733-K744 HydrophobicContact CD2-CB 3.82Å; L733-K744 VanDerWaalsContact CD2-N 3.32Å; L733-I747 HydrophobicContact CD2-CD1 4Å
734	A	88.1	Confident	90.8	Very high	18 Å²	18	15.5 Å²	15.5	15%	0.149	9%	0.085	C	C	.	.	H	α-helix	trans	-64.1	-27	178.9	0	0	0	0	0	113.3	L621 L625 G730 H732	L621-A734 HydrophobicContact CB-CB 3.87Å; L625-A734 HydrophobicContact CB-CB 4.09Å; L625-A734 HydrophobicContact CD1-CB 4.07Å; L625-A734 HydrophobicContact CD2-CB 3.93Å; L625-A734 HydrophobicContact CG-CB 4.26Å; G730-A734 VanDerWaalsContact O-CB 3.24Å; G730-A734 WeakPolarHBondContact O-CB 3.38Å; G730-A734 PolarHBondContact O-N 2.96Å; H732-A734 VanDerWaalsContact C-N 3.34Å; H732-A734 PolarHBondContact O-N 2.71Å
735	N	84.8	Confident	91.3	Very high	41 Å²	41	15.3 Å²	15.3	22%	0.219	8%	0.084	C	C	.	.	H	α-helix	trans	-89.1	-16.9	179.3	-79	-54.5	0	0	0	113.5	L625 V731 H732 L733 R846	L625-N735 WeakPolarHBondContact CD2-OD1 3.46Å; V731-N735 WeakPolarHBondContact O-CB 3.31Å; V731-N735 PolarHBondContact O-N 3.41Å; V731-N735 PolarHBondContact O-ND2 3.18Å; H732-N735 PolarHBondContact O-N 3.46Å; L733-N735 PolarHBondContact O-N 3.05Å; N735-R846 PolarHBondContact O-NH2 2.95Å
736	F	85.2	Confident	91.8	Very high	10 Å²	10	11.5 Å²	11.5	4%	0.044	7%	0.067	C	C	.	.	S	Bend	trans	-72.7	150.1	176.6	-88.2	-80.3	0	0	0	111.5	H732 L733 L738 A743 L746 I747 L842 L843	H732-F736 HydrophobicContact CB-CE2 4.3Å; H732-F736 WeakPolarHBondContact O-CD2 3.41Å; H732-F736 PolarHBondContact O-N 2.93Å; H732-F736 VanDerWaalsContact O-N 3.12Å; L733-F736 PolarHBondContact O-N 2.93Å; F736-L738 HydrophobicContact CB-CG 4.43Å; F736-L738 HydrophobicContact CD1-CD1 4.29Å; F736-L738 PolarHBondContact O-N 3.3Å; F736-A743 HydrophobicContact CB-CB 3.41Å; F736-A743 VanDerWaalsContact CB-CB 3.41Å; F736-A743 HydrophobicContact CD2-CB 3.8Å; F736-A743 HydrophobicContact CG-CB 3.7Å; F736-L746 HydrophobicContact CD1-CD1 4.32Å; F736-L746 HydrophobicContact CE1-CD1 4.18Å; F736-I747 HydrophobicContact CD2-CD1 4.37Å; F736-I747 HydrophobicContact CE2-CD1 3.8Å; F736-I747 HydrophobicContact CE2-CG1 3.81Å; F736-I747 HydrophobicContact CZ-CG1 4.21Å; F736-L842 HydrophobicContact CE1-CB 4.19Å; F736-L843 HydrophobicContact CE1-CD2 4.34Å; F736-L843 HydrophobicContact CZ-CD2 3.87Å
737	P	79.8	Confident	92	Very high	36 Å²	36	10.1 Å²	10.1	23%	0.234	6%	0.059	C	C	.	.	S	Bend	trans	-63.1	4.6	174	-9.4	13	0	0	0	118.2	R262 Y839 L842	R262-P737 VanDerWaalsContact NH1-CA 3.27Å; R262-P737 VanDerWaalsContact NH2-CA 3.29Å; R262-P737 VanDerWaalsContact NH2-N 3.11Å; P737-Y839 HydrophobicContact CG-CE1 4.29Å; P737-L842 HydrophobicContact CG-CD1 3.39Å
738	L	86.6	Confident	92.2	Very high	8 Å²	8	9.6 Å²	9.6	4%	0.042	6%	0.056	C	C	.	.	S	Bend	trans	-126.8	160.4	-148.4	-50.1	173.9	0	0	0	108.4	F736 C742 A743 L746 T766 Y839	F736-L738 HydrophobicContact CB-CG 4.43Å; F736-L738 HydrophobicContact CD1-CD1 4.29Å; F736-L738 PolarHBondContact O-N 3.3Å; L738-C742 HydrophobicContact CB-CB 4Å; L738-A743 HydrophobicContact CB-CB 4.35Å; L738-L746 HydrophobicContact CD1-CD1 3.33Å; L738-L746 HydrophobicContact CD1-CG 4.12Å; L738-T766 HydrophobicContact CB-CG2 4.25Å; L738-T766 HydrophobicContact CD2-CG2 3.8Å; L738-Y839 HydrophobicContact CD1-CE1 4.42Å; L738-Y839 HydrophobicContact CD1-CE2 4.36Å; L738-Y839 HydrophobicContact CD2-CD1 4.43Å; L738-Y839 HydrophobicContact CD2-CE1 3.53Å; L738-Y839 HydrophobicContact CD2-CE2 3.93Å; L738-Y839 WeakPolarHBondContact CD2-OH 3.27Å; L738-Y839 HydrophobicContact CG-CE1 4.45Å
739	D	90.2	Very high	92.5	Very high	40 Å²	40	8.8 Å²	8.8	21%	0.214	5%	0.051	C	C	.	.			trans	-44.7	133.6	158.3	178.6	-81.2	0	0	0	109.4	Q741 C742 A743 F930	D739-Q741 PolarHBondContact O-N 3.29Å; D739-Q741 VanDerWaalsContact O-N 3.09Å; D739-Q741 WeakPolarHBondContact OD1-CA 3.31Å; D739-Q741 VanDerWaalsContact OD1-CB 3.24Å; D739-Q741 WeakPolarHBondContact OD1-CB 3.3Å; D739-Q741 PolarHBondContact OD1-N 2.9Å; D739-C742 HydrophobicContact CB-CB 4.2Å; D739-C742 WeakPolarHBondContact O-CA 3.15Å; D739-C742 WeakPolarHBondContact O-CB 3.12Å; D739-C742 PolarHBondContact O-N 3.17Å; D739-C742 PolarHBondContact OD1-N 2.9Å; D739-A743 PolarHBondContact O-N 3.48Å; D739-F930 HydrophobicContact CB-CE2 4.4Å; D739-F930 HydrophobicContact CB-CZ 4.15Å
740	P	94	Very high	92.6	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-55	-31.8	-175.5	-29.8	37.7	0	0	0	113.3	E617 D618 L621 I657 L733 A743 K744	E617-P740 HydrophobicContact CB-CG 4.33Å; D618-P740 WeakPolarHBondContact OD1-CD 3.49Å; L621-P740 HydrophobicContact CD1-CB 3.98Å; L621-P740 HydrophobicContact CD1-CG 3.5Å; I657-P740 HydrophobicContact CD1-CB 3.67Å; L733-P740 HydrophobicContact CB-CB 4.34Å; L733-P740 HydrophobicContact CD1-CB 4.22Å; L733-P740 WeakPolarHBondContact CD2-O 3.13Å; P740-A743 PolarHBondContact O-N 3.35Å; P740-K744 WeakPolarHBondContact O-CB 3.48Å; P740-K744 PolarHBondContact O-N 3.1Å
741	Q	95.4	Very high	92.7	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-73.8	-35.4	176.7	-51.5	-169	-86.8	0	0	111.7	F653 I657 D739 K744 L745 A876 L877 N880	F653-Q741 HydrophobicContact CZ-CG 4.06Å; I657-Q741 HydrophobicContact CG2-CG 4.47Å; D739-Q741 PolarHBondContact O-N 3.29Å; D739-Q741 VanDerWaalsContact O-N 3.09Å; D739-Q741 WeakPolarHBondContact OD1-CA 3.31Å; D739-Q741 VanDerWaalsContact OD1-CB 3.24Å; D739-Q741 WeakPolarHBondContact OD1-CB 3.3Å; D739-Q741 PolarHBondContact OD1-N 2.9Å; Q741-K744 PolarHBondContact O-N 3.16Å; Q741-L745 WeakPolarHBondContact O-CB 3.42Å; Q741-L745 PolarHBondContact O-N 3.45Å; Q741-A876 WeakPolarHBondContact CB-O 3.38Å; Q741-A876 PolarHBondContact NE2-O 2.96Å; Q741-L877 HydrophobicContact CB-CD2 4.14Å; Q741-L877 VanDerWaalsContact NE2-C 3.32Å; Q741-L877 PolarHBondContact NE2-O 2.78Å; Q741-N880 PolarHBondContact NE2-ND2 3.08Å; Q741-N880 PolarHBondContact OE1-ND2 2.99Å
742	C	96.3	Very high	92.9	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.007	5%	0.049	C	C	.	.	H	α-helix	trans	-68	-38.2	171.9	-72.1	0	0	0	0	112	L738 D739 L745 L746 T766 F930	L738-C742 HydrophobicContact CB-CB 4Å; D739-C742 HydrophobicContact CB-CB 4.2Å; D739-C742 WeakPolarHBondContact O-CA 3.15Å; D739-C742 WeakPolarHBondContact O-CB 3.12Å; D739-C742 PolarHBondContact O-N 3.17Å; D739-C742 PolarHBondContact OD1-N 2.9Å; C742-L745 VanDerWaalsContact O-CB 3.31Å; C742-L745 WeakPolarHBondContact O-CB 3.5Å; C742-L745 PolarHBondContact O-N 3.09Å; C742-L746 WeakPolarHBondContact O-CG 3.1Å; C742-L746 PolarHBondContact O-N 3.06Å; C742-T766 HydrophobicContact CB-CG2 3.85Å; C742-F930 VanDerWaalsContact SG-CE2 3.52Å; C742-F930 VanDerWaalsContact SG-CZ 3.59Å
743	A	95.8	Very high	93.2	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-62.2	-45.1	172.2	0	0	0	0	0	111.4	L733 F736 L738 D739 P740 L745 L746 I747	L733-A743 HydrophobicContact CD2-CB 3.73Å; F736-A743 HydrophobicContact CB-CB 3.41Å; F736-A743 VanDerWaalsContact CB-CB 3.41Å; F736-A743 HydrophobicContact CD2-CB 3.8Å; F736-A743 HydrophobicContact CG-CB 3.7Å; L738-A743 HydrophobicContact CB-CB 4.35Å; D739-A743 PolarHBondContact O-N 3.48Å; P740-A743 PolarHBondContact O-N 3.35Å; A743-L745 VanDerWaalsContact C-N 3.28Å; A743-L745 PolarHBondContact O-N 2.96Å; A743-L746 PolarHBondContact O-N 2.8Å; A743-I747 WeakPolarHBondContact O-CG1 3.48Å; A743-I747 PolarHBondContact O-N 3.22Å; A743-I747 VanDerWaalsContact O-N 3.13Å
744	K	96.9	Very high	93.4	Very high	4 Å²	4	8.1 Å²	8.1	2%	0.017	5%	0.047	C	C	.	.	H	α-helix	trans	-60.3	-41.3	173.9	-169.6	171.3	-177.1	174.3	0	110.9	I657 L729 L733 P740 Q741 L746 I747 F748 A875 A876	I657-K744 PolarHBondContact O-NZ 2.98Å; L729-K744 HydrophobicContact CD2-CD 4.31Å; L733-K744 HydrophobicContact CD1-CB 4.45Å; L733-K744 HydrophobicContact CD2-CB 3.82Å; L733-K744 VanDerWaalsContact CD2-N 3.32Å; P740-K744 WeakPolarHBondContact O-CB 3.48Å; P740-K744 PolarHBondContact O-N 3.1Å; Q741-K744 PolarHBondContact O-N 3.16Å; K744-L746 PolarHBondContact O-N 3.39Å; K744-I747 PolarHBondContact O-N 3.03Å; K744-F748 HydrophobicContact CD-CE2 4.34Å; K744-F748 HydrophobicContact CG-CD2 3.8Å; K744-F748 HydrophobicContact CG-CE2 3.69Å; K744-F748 WeakPolarHBondContact O-CB 3.2Å; K744-F748 WeakPolarHBondContact O-CD2 3.41Å; K744-F748 PolarHBondContact O-N 2.85Å; K744-A875 VanDerWaalsContact CE-O 3.23Å; K744-A875 WeakPolarHBondContact CE-O 3.29Å; K744-A875 PolarHBondContact NZ-O 3.42Å; K744-A876 HydrophobicContact CB-CB 4.48Å; K744-A876 HydrophobicContact CG-CB 4.46Å
745	L	97.3	Very high	93.8	Very high	1 Å²	1	7.3 Å²	7.3	1%	0.005	4%	0.04	C	C	.	.	H	α-helix	trans	-56.8	-49.1	175.7	-166.1	72.9	0	0	0	111.3	Q741 C742 A743 I747 F748 G749 I758 V761 A762 I872 M873 A876	Q741-L745 WeakPolarHBondContact O-CB 3.42Å; Q741-L745 PolarHBondContact O-N 3.45Å; C742-L745 VanDerWaalsContact O-CB 3.31Å; C742-L745 WeakPolarHBondContact O-CB 3.5Å; C742-L745 PolarHBondContact O-N 3.09Å; A743-L745 VanDerWaalsContact C-N 3.28Å; A743-L745 PolarHBondContact O-N 2.96Å; L745-I747 PolarHBondContact O-N 3.42Å; L745-F748 PolarHBondContact O-N 3.29Å; L745-G749 PolarHBondContact O-N 3.45Å; L745-I758 HydrophobicContact CD1-CD1 3.82Å; L745-I758 HydrophobicContact CD2-CD1 4.36Å; L745-I758 HydrophobicContact CD2-CG2 4.3Å; L745-I758 HydrophobicContact CG-CD1 3.96Å; L745-I758 HydrophobicContact CG-CG2 3.82Å; L745-I758 VanDerWaalsContact O-CG2 3.28Å; L745-I758 WeakPolarHBondContact O-CG2 3.33Å; L745-V761 HydrophobicContact CD2-CB 4.2Å; L745-V761 HydrophobicContact CD2-CG1 3.7Å; L745-A762 HydrophobicContact CD2-CB 4.4Å; L745-I872 HydrophobicContact CD1-CG2 3.91Å; L745-M873 HydrophobicContact CD1-CE 3.91Å; L745-M873 HydrophobicContact CD1-SD 3.61Å; L745-M873 HydrophobicContact CD2-CE 4.21Å; L745-M873 HydrophobicContact CD2-SD 4.22Å; L745-A876 HydrophobicContact CB-CB 3.78Å; L745-A876 HydrophobicContact CD1-CB 3.47Å; L745-A876 VanDerWaalsContact CD1-CB 3.47Å; L745-A876 HydrophobicContact CG-CB 4.24Å
746	L	97.5	Very high	94.4	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-59.5	-46.8	178	-70.9	-171.5	0	0	0	113.2	F736 L738 C742 A743 K744 G749 A750 I758 L759 A762 Y839 L843	F736-L746 HydrophobicContact CD1-CD1 4.32Å; F736-L746 HydrophobicContact CE1-CD1 4.18Å; L738-L746 HydrophobicContact CD1-CD1 3.33Å; L738-L746 HydrophobicContact CD1-CG 4.12Å; C742-L746 WeakPolarHBondContact O-CG 3.1Å; C742-L746 PolarHBondContact O-N 3.06Å; A743-L746 PolarHBondContact O-N 2.8Å; K744-L746 PolarHBondContact O-N 3.39Å; L746-G749 PolarHBondContact O-N 3.29Å; L746-A750 PolarHBondContact O-N 3.45Å; L746-I758 HydrophobicContact CD2-CG2 4.16Å; L746-L759 HydrophobicContact CD2-CD2 3.68Å; L746-L759 HydrophobicContact CD2-CG 4.39Å; L746-A762 HydrophobicContact CD2-CB 3.57Å; L746-A762 HydrophobicContact CG-CB 4.05Å; L746-Y839 HydrophobicContact CD1-CD2 4.06Å; L746-Y839 HydrophobicContact CD1-CG 3.95Å; L746-Y839 HydrophobicContact CD2-CD2 4.48Å; L746-L843 HydrophobicContact CB-CD1 4.26Å; L746-L843 HydrophobicContact CB-CD2 4.33Å
747	I	96.9	Very high	95	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-61.2	-47.3	179.2	-64.4	166.9	0	0	0	110	L729 H732 L733 F736 A743 K744 L745 G749 A750 L751 Y848 F1004	L729-I747 HydrophobicContact CD1-CD1 3.81Å; H732-I747 HydrophobicContact CB-CD1 3.67Å; L733-I747 HydrophobicContact CD2-CD1 4Å; F736-I747 HydrophobicContact CD2-CD1 4.37Å; F736-I747 HydrophobicContact CE2-CD1 3.8Å; F736-I747 HydrophobicContact CE2-CG1 3.81Å; F736-I747 HydrophobicContact CZ-CG1 4.21Å; A743-I747 WeakPolarHBondContact O-CG1 3.48Å; A743-I747 PolarHBondContact O-N 3.22Å; A743-I747 VanDerWaalsContact O-N 3.13Å; K744-I747 PolarHBondContact O-N 3.03Å; L745-I747 PolarHBondContact O-N 3.42Å; I747-G749 PolarHBondContact O-N 2.89Å; I747-A750 PolarHBondContact O-N 2.91Å; I747-L751 HydrophobicContact CG2-CD1 3.8Å; I747-L751 HydrophobicContact CG2-CG 4.33Å; I747-L751 WeakPolarHBondContact O-CB 3.49Å; I747-L751 VanDerWaalsContact O-CG 3.32Å; I747-L751 WeakPolarHBondContact O-CG 3.39Å; I747-L751 PolarHBondContact O-N 3.02Å; I747-Y848 HydrophobicContact CG1-CE2 4.25Å; I747-Y848 HydrophobicContact CG2-CD1 4.27Å; I747-Y848 HydrophobicContact CG2-CE1 3.71Å; I747-Y848 HydrophobicContact CG2-CE2 4.49Å; I747-F1004 HydrophobicContact CG2-CD1 4.34Å; I747-F1004 HydrophobicContact CG2-CE1 3.74Å
748	F	96.9	Very high	95.9	Very high	2 Å²	2	5.4 Å²	5.4	1%	0.009	3%	0.028	C	C	.	.	H	α-helix	trans	-66.8	-37.6	178.7	-82.5	-118	0	0	0	111.7	K744 L745 A750 L751 F752 I872 A875 F957 L1000 F1004	K744-F748 HydrophobicContact CD-CE2 4.34Å; K744-F748 HydrophobicContact CG-CD2 3.8Å; K744-F748 HydrophobicContact CG-CE2 3.69Å; K744-F748 WeakPolarHBondContact O-CB 3.2Å; K744-F748 WeakPolarHBondContact O-CD2 3.41Å; K744-F748 PolarHBondContact O-N 2.85Å; L745-F748 PolarHBondContact O-N 3.29Å; F748-A750 VanDerWaalsContact C-N 3.32Å; F748-A750 PolarHBondContact O-N 3Å; F748-L751 PolarHBondContact O-N 3.27Å; F748-F752 HydrophobicContact CB-CD2 4.26Å; F748-F752 HydrophobicContact CD1-CD2 4.02Å; F748-F752 AromaticContact CD1-CE2 3.59Å; F748-F752 HydrophobicContact CD1-CE2 3.59Å; F748-F752 HydrophobicContact CE1-CE2 4.08Å; F748-F752 HydrophobicContact CG-CD2 4.49Å; F748-F752 HydrophobicContact CG-CE2 4.4Å; F748-F752 WeakPolarHBondContact O-CB 3.48Å; F748-F752 WeakPolarHBondContact O-CD2 3.48Å; F748-F752 PolarHBondContact O-N 2.77Å; F748-I872 HydrophobicContact CB-CG2 3.94Å; F748-A875 HydrophobicContact CD1-CB 3.57Å; F748-A875 HydrophobicContact CE1-CB 3.55Å; F748-A875 HydrophobicContact CZ-CB 4.47Å; F748-F957 HydrophobicContact CE1-CD1 4.26Å; F748-F957 AromaticContact CE1-CE1 3.98Å; F748-F957 HydrophobicContact CE1-CE1 3.98Å; F748-L1000 HydrophobicContact CE1-CD1 4.32Å; F748-L1000 HydrophobicContact CZ-CD1 4.09Å; F748-F1004 HydrophobicContact CE2-CZ 4.05Å; F748-F1004 HydrophobicContact CZ-CZ 4.47Å
749	G	97.2	Very high	96.5	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-58	-43.6	173.7	0	0	0	0	0	112.5	L745 L746 I747 G753 C754 L755	L745-G749 PolarHBondContact O-N 3.45Å; L746-G749 PolarHBondContact O-N 3.29Å; I747-G749 PolarHBondContact O-N 2.89Å; G749-G753 PolarHBondContact O-N 2.88Å; G749-C754 CarbonylContact O-C 3.58Å; G749-C754 PolarHBondContact O-N 3.42Å; G749-L755 PolarHBondContact O-N 3.14Å
750	A	96.6	Very high	96.8	Very high	2 Å²	2	3.2 Å²	3.2	2%	0.017	2%	0.017	C	C	.	.	H	α-helix	trans	-66.9	-46.9	174.8	0	0	0	0	0	112.4	L746 I747 F748 F752 G753 L755 L843 I849	L746-A750 PolarHBondContact O-N 3.45Å; I747-A750 PolarHBondContact O-N 2.91Å; F748-A750 VanDerWaalsContact C-N 3.32Å; F748-A750 PolarHBondContact O-N 3Å; A750-F752 PolarHBondContact O-N 3Å; A750-G753 PolarHBondContact O-N 2.72Å; A750-L755 HydrophobicContact CB-CD1 4.32Å; A750-L843 HydrophobicContact CB-CD1 4.4Å; A750-L843 HydrophobicContact CB-CD2 4.41Å; A750-I849 HydrophobicContact CB-CG2 3.77Å
751	L	95.6	Very high	97	Very high	7 Å²	7	3.2 Å²	3.2	4%	0.037	2%	0.017	C	C	.	.	H	α-helix	trans	-67.5	-33.3	-177.8	-70.3	176.1	0	0	0	113.4	I747 F748 Y848 L1000 K1003 F1004 A1010 W1012	I747-L751 HydrophobicContact CG2-CD1 3.8Å; I747-L751 HydrophobicContact CG2-CG 4.33Å; I747-L751 WeakPolarHBondContact O-CB 3.49Å; I747-L751 VanDerWaalsContact O-CG 3.32Å; I747-L751 WeakPolarHBondContact O-CG 3.39Å; I747-L751 PolarHBondContact O-N 3.02Å; F748-L751 PolarHBondContact O-N 3.27Å; L751-Y848 HydrophobicContact CD1-CE1 4.43Å; L751-Y848 HydrophobicContact CD2-CD1 4.02Å; L751-Y848 HydrophobicContact CD2-CE1 4.27Å; L751-Y848 HydrophobicContact CG-CD1 4.26Å; L751-Y848 HydrophobicContact CG-CE1 4.42Å; L751-L1000 HydrophobicContact CD1-CD2 3.72Å; L751-K1003 HydrophobicContact CD2-CB 4.29Å; L751-K1003 HydrophobicContact CD2-CD 4.15Å; L751-K1003 HydrophobicContact CD2-CG 4.18Å; L751-F1004 HydrophobicContact CD1-CE1 3.91Å; L751-A1010 WeakPolarHBondContact O-CB 3.2Å; L751-W1012 VanDerWaalsContact O-CZ2 3.29Å; L751-W1012 WeakPolarHBondContact O-CZ2 3.37Å
752	F	96.3	Very high	97.1	Very high	1 Å²	1	3.2 Å²	3.2	0%	0.004	2%	0.017	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	7.3	180	-73.9	-75.7	0	0	0	114	F748 A750 C754 N862 L868 I872 F957 M996 W1012 L1022 I1025 V1026	F748-F752 HydrophobicContact CB-CD2 4.26Å; F748-F752 HydrophobicContact CD1-CD2 4.02Å; F748-F752 AromaticContact CD1-CE2 3.59Å; F748-F752 HydrophobicContact CD1-CE2 3.59Å; F748-F752 HydrophobicContact CE1-CE2 4.08Å; F748-F752 HydrophobicContact CG-CD2 4.49Å; F748-F752 HydrophobicContact CG-CE2 4.4Å; F748-F752 WeakPolarHBondContact O-CB 3.48Å; F748-F752 WeakPolarHBondContact O-CD2 3.48Å; F748-F752 PolarHBondContact O-N 2.77Å; A750-F752 PolarHBondContact O-N 3Å; F752-C754 VanDerWaalsContact C-N 3.34Å; F752-C754 PolarHBondContact O-N 3.34Å; F752-N862 PolarHBondContact O-ND2 3.33Å; F752-L868 HydrophobicContact CB-CD2 4.34Å; F752-L868 HydrophobicContact CD1-CD1 4.19Å; F752-I872 HydrophobicContact CB-CD1 3.65Å; F752-I872 HydrophobicContact CB-CG1 4.05Å; F752-I872 HydrophobicContact CD2-CG1 4.19Å; F752-I872 HydrophobicContact CG-CD1 4.42Å; F752-I872 HydrophobicContact CG-CG1 4.28Å; F752-F957 HydrophobicContact CE2-CE1 4.39Å; F752-F957 HydrophobicContact CE2-CZ 4.32Å; F752-F957 HydrophobicContact CZ-CE1 4.21Å; F752-F957 HydrophobicContact CZ-CZ 4.01Å; F752-M996 HydrophobicContact CZ-SD 4.16Å; F752-W1012 WeakPolarHBondContact O-CZ2 3.43Å; F752-L1022 HydrophobicContact CE1-CD2 4.44Å; F752-I1025 HydrophobicContact CE1-CG2 4.1Å; F752-V1026 HydrophobicContact CD1-CG2 4.5Å
753	G	96.5	Very high	97.1	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.016	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	30.3	173.6	0	0	0	0	0	113.6	G749 A750 A859 N860 C861 N862 Q863	G749-G753 PolarHBondContact O-N 2.88Å; A750-G753 PolarHBondContact O-N 2.72Å; G753-A859 CarbonylContact C-O 3.49Å; G753-A859 WeakPolarHBondContact CA-O 3.39Å; G753-N860 CarbonylContact O-C 3.46Å; G753-N860 VanDerWaalsContact O-CA 3.26Å; G753-N860 WeakPolarHBondContact O-CA 3.3Å; G753-C861 PolarHBondContact O-N 3.03Å; G753-N862 CarbonylContact O-C 3.34Å; G753-N862 WeakPolarHBondContact O-CA 3.43Å; G753-N862 WeakPolarHBondContact O-CB 3.49Å; G753-N862 PolarHBondContact O-N 3.02Å; G753-Q863 PolarHBondContact O-N 2.95Å
754	C	97	Very high	97	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.018	C	C	.	.			trans	-124.8	43.3	-179.9	-164	0	0	0	0	110.3	G749 F752 I758 A859 I872	G749-C754 CarbonylContact O-C 3.58Å; G749-C754 PolarHBondContact O-N 3.42Å; F752-C754 VanDerWaalsContact C-N 3.34Å; F752-C754 PolarHBondContact O-N 3.34Å; C754-I758 WeakPolarHBondContact O-CB 3.43Å; C754-I758 WeakPolarHBondContact O-CG1 3.4Å; C754-A859 PolarHBondContact N-O 3.47Å; C754-I872 HydrophobicContact CB-CD1 3.63Å
755	L	97.9	Very high	96.9	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-65.8	-55.2	-166.9	178.7	67.5	0	0	0	114	G749 A750 I758 L759 L843 I849 A859 N860	G749-L755 PolarHBondContact O-N 3.14Å; A750-L755 HydrophobicContact CB-CD1 4.32Å; L755-I758 CarbonylContact O-C 3.47Å; L755-I758 WeakPolarHBondContact O-CB 3.5Å; L755-I758 PolarHBondContact O-N 3.34Å; L755-I758 VanDerWaalsContact O-N 3.12Å; L755-L759 HydrophobicContact CD1-CD1 3.86Å; L755-L759 HydrophobicContact CD1-CD2 4.29Å; L755-L759 HydrophobicContact CD1-CG 3.82Å; L755-L759 HydrophobicContact CD2-CD1 4.09Å; L755-L759 HydrophobicContact CG-CD1 3.62Å; L755-L759 HydrophobicContact CG-CG 4.03Å; L755-L759 WeakPolarHBondContact O-CG 3.31Å; L755-L759 PolarHBondContact O-N 2.97Å; L755-L843 HydrophobicContact CD1-CD1 3.53Å; L755-I849 HydrophobicContact CD2-CD1 4.08Å; L755-I849 HydrophobicContact CD2-CG2 4.01Å; L755-A859 HydrophobicContact CB-CB 3.83Å; L755-A859 WeakPolarHBondContact CB-O 3.44Å; L755-A859 HydrophobicContact CD2-CB 3.62Å; L755-A859 HydrophobicContact CG-CB 4.32Å; L755-A859 PolarHBondContact N-O 2.96Å; L755-N860 PolarHBondContact N-OD1 3.46Å
756	E	97.6	Very high	96.4	Very high	36 Å²	36	6.7 Å²	6.7	17%	0.168	4%	0.037	C	C	.	.	H	α-helix	trans	-60.4	-48.6	-171.5	-174.6	-174.9	-170.8	0	0	112.6	I758 L759 A760 M836 N860	E756-I758 PolarHBondContact O-N 3.27Å; E756-L759 PolarHBondContact O-N 2.97Å; E756-A760 PolarHBondContact O-N 2.76Å; E756-M836 HydrophobicContact CG-CE 3.98Å; E756-N860 WeakPolarHBondContact CB-OD1 3.26Å; E756-N860 PolarHBondContact N-OD1 3.17Å
757	P	97.8	Very high	95.8	Very high	11 Å²	11	11.4 Å²	11.4	7%	0.071	6%	0.058	C	C	.	.	H	α-helix	trans	-58.2	-38.2	174.9	-24.9	35.3	0	0	0	112.5	A760 V761 A800 Q863 F869	P757-A760 PolarHBondContact O-N 3.09Å; P757-V761 VanDerWaalsContact O-CG2 3.29Å; P757-V761 WeakPolarHBondContact O-CG2 3.24Å; P757-V761 PolarHBondContact O-N 3.25Å; P757-A800 HydrophobicContact CB-CB 3.79Å; P757-Q863 HydrophobicContact CG-CB 4.17Å; P757-F869 HydrophobicContact CB-CD2 4.08Å; P757-F869 HydrophobicContact CB-CE2 4.07Å
758	I	98.4	Very high	95	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-72.8	-39.5	-178.7	-71.1	-63.8	0	0	0	111.9	L745 L746 C754 L755 E756 A760 V761 A762 F869 I872 M873	L745-I758 HydrophobicContact CD1-CD1 3.82Å; L745-I758 HydrophobicContact CD2-CD1 4.36Å; L745-I758 HydrophobicContact CD2-CG2 4.3Å; L745-I758 HydrophobicContact CG-CD1 3.96Å; L745-I758 HydrophobicContact CG-CG2 3.82Å; L745-I758 VanDerWaalsContact O-CG2 3.28Å; L745-I758 WeakPolarHBondContact O-CG2 3.33Å; L746-I758 HydrophobicContact CD2-CG2 4.16Å; C754-I758 WeakPolarHBondContact O-CB 3.43Å; C754-I758 WeakPolarHBondContact O-CG1 3.4Å; L755-I758 CarbonylContact O-C 3.47Å; L755-I758 WeakPolarHBondContact O-CB 3.5Å; L755-I758 PolarHBondContact O-N 3.34Å; L755-I758 VanDerWaalsContact O-N 3.12Å; E756-I758 PolarHBondContact O-N 3.27Å; I758-A760 VanDerWaalsContact C-N 3.29Å; I758-A760 PolarHBondContact O-N 2.91Å; I758-V761 PolarHBondContact O-N 2.96Å; I758-A762 WeakPolarHBondContact O-CB 3.42Å; I758-A762 PolarHBondContact O-N 2.9Å; I758-F869 HydrophobicContact CD1-CD2 3.91Å; I758-F869 HydrophobicContact CD1-CE2 3.84Å; I758-F869 HydrophobicContact CG1-CD2 4.46Å; I758-I872 HydrophobicContact CD1-CB 4.43Å; I758-I872 HydrophobicContact CD1-CG2 3.65Å; I758-I872 HydrophobicContact CG1-CG2 4.24Å; I758-M873 HydrophobicContact CD1-SD 4.28Å
759	L	98.1	Very high	94.6	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-58.8	-43.2	172.1	-75.3	171.4	0	0	0	110.8	L746 L755 E756 S763 M836 A840 L843 P854	L746-L759 HydrophobicContact CD2-CD2 3.68Å; L746-L759 HydrophobicContact CD2-CG 4.39Å; L755-L759 HydrophobicContact CD1-CD1 3.86Å; L755-L759 HydrophobicContact CD1-CD2 4.29Å; L755-L759 HydrophobicContact CD1-CG 3.82Å; L755-L759 HydrophobicContact CD2-CD1 4.09Å; L755-L759 HydrophobicContact CG-CD1 3.62Å; L755-L759 HydrophobicContact CG-CG 4.03Å; L755-L759 WeakPolarHBondContact O-CG 3.31Å; L755-L759 PolarHBondContact O-N 2.97Å; E756-L759 PolarHBondContact O-N 2.97Å; L759-S763 WeakPolarHBondContact O-CB 3.39Å; L759-S763 PolarHBondContact O-N 3.46Å; L759-S763 PolarHBondContact O-OG 2.86Å; L759-M836 HydrophobicContact CB-CB 4.07Å; L759-M836 HydrophobicContact CB-CE 3.95Å; L759-M836 HydrophobicContact CB-CG 3.93Å; L759-A840 HydrophobicContact CD1-CB 4.13Å; L759-L843 HydrophobicContact CD2-CD1 4.46Å; L759-P854 HydrophobicContact CD1-CB 3.66Å; L759-P854 HydrophobicContact CD1-CG 4.21Å
760	A	97.7	Very high	94.4	Very high	2 Å²	2	13.8 Å²	13.8	2%	0.017	7%	0.07	C	C	.	.	H	α-helix	trans	-61.5	-45.5	176.7	0	0	0	0	0	111.6	E756 P757 I758 C764 I803 M836	E756-A760 PolarHBondContact O-N 2.76Å; P757-A760 PolarHBondContact O-N 3.09Å; I758-A760 VanDerWaalsContact C-N 3.29Å; I758-A760 PolarHBondContact O-N 2.91Å; A760-C764 WeakPolarHBondContact O-CB 3.5Å; A760-C764 PolarHBondContact O-N 3.45Å; A760-C764 PolarHBondContact O-SG 3.27Å; A760-I803 HydrophobicContact CB-CB 4.05Å; A760-I803 HydrophobicContact CB-CG1 3.82Å; A760-I803 HydrophobicContact CB-CG2 4.45Å; A760-M836 HydrophobicContact CB-CE 4.11Å; A760-M836 HydrophobicContact CB-SD 4.09Å
761	V	98	Very high	94.1	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.9	-55.5	177.2	173.6	0	0	0	0	111.4	L745 P757 I758 S763 C764 L765 H796 F869 M873	L745-V761 HydrophobicContact CD2-CB 4.2Å; L745-V761 HydrophobicContact CD2-CG1 3.7Å; P757-V761 VanDerWaalsContact O-CG2 3.29Å; P757-V761 WeakPolarHBondContact O-CG2 3.24Å; P757-V761 PolarHBondContact O-N 3.25Å; I758-V761 PolarHBondContact O-N 2.96Å; V761-S763 PolarHBondContact O-N 2.97Å; V761-C764 PolarHBondContact O-N 2.88Å; V761-L765 HydrophobicContact CG1-CD1 3.72Å; V761-L765 HydrophobicContact CG1-CG 4.1Å; V761-L765 WeakPolarHBondContact O-CG 3.29Å; V761-L765 PolarHBondContact O-N 2.77Å; V761-H796 HydrophobicContact CG1-CB 3.97Å; V761-H796 HydrophobicContact CG2-CB 3.88Å; V761-H796 VanDerWaalsContact CG2-O 3.3Å; V761-H796 WeakPolarHBondContact CG2-O 3.32Å; V761-F869 HydrophobicContact CG2-CE2 3.89Å; V761-F869 HydrophobicContact CG2-CZ 3.71Å; V761-M873 HydrophobicContact CG1-CE 4.2Å; V761-M873 HydrophobicContact CG1-SD 4.24Å
762	A	97.3	Very high	93.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-55.5	-44	-178.7	0	0	0	0	0	110.7	L745 L746 I758 C764 L765 T766	L745-A762 HydrophobicContact CD2-CB 4.4Å; L746-A762 HydrophobicContact CD2-CB 3.57Å; L746-A762 HydrophobicContact CG-CB 4.05Å; I758-A762 WeakPolarHBondContact O-CB 3.42Å; I758-A762 PolarHBondContact O-N 2.9Å; A762-C764 PolarHBondContact O-N 2.89Å; A762-L765 PolarHBondContact O-N 3.22Å; A762-T766 WeakPolarHBondContact O-CB 3.37Å; A762-T766 WeakPolarHBondContact O-CG2 3.25Å; A762-T766 PolarHBondContact O-N 3.09Å; A762-T766 PolarHBondContact O-OG1 2.95Å
763	S	95.2	Very high	92.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63.7	-40.2	177.2	-57.2	0	0	0	0	112.8	L759 V761 F767 M836 Y839	L759-S763 WeakPolarHBondContact O-CB 3.39Å; L759-S763 PolarHBondContact O-N 3.46Å; L759-S763 PolarHBondContact O-OG 2.86Å; V761-S763 PolarHBondContact O-N 2.97Å; S763-F767 VanDerWaalsContact O-CB 3.23Å; S763-F767 WeakPolarHBondContact O-CB 3.28Å; S763-F767 PolarHBondContact O-N 2.82Å; S763-M836 WeakPolarHBondContact OG-CG 3.39Å; S763-Y839 WeakPolarHBondContact OG-CE2 2.89Å
764	C	94.8	Very high	91.4	Very high	4 Å²	4	21.9 Å²	21.9	3%	0.027	11%	0.113	C	C	.	.	H	α-helix	trans	-68	-39.5	176.8	-69.6	0	0	0	0	112.4	A760 V761 A762 R768 F799	A760-C764 WeakPolarHBondContact O-CB 3.5Å; A760-C764 PolarHBondContact O-N 3.45Å; A760-C764 PolarHBondContact O-SG 3.27Å; V761-C764 PolarHBondContact O-N 2.88Å; A762-C764 PolarHBondContact O-N 2.89Å; C764-R768 CarbonylContact O-C 3.15Å; C764-R768 PolarHBondContact O-N 3.03Å; C764-F799 HydrophobicContact CB-CB 4.09Å; C764-F799 HydrophobicContact CB-CD1 3.95Å; C764-F799 HydrophobicContact CB-CD2 3.59Å; C764-F799 HydrophobicContact CB-CE1 4.27Å; C764-F799 HydrophobicContact CB-CE2 3.93Å; C764-F799 HydrophobicContact CB-CG 3.62Å; C764-F799 HydrophobicContact CB-CZ 4.26Å
765	L	93.3	Very high	89.8	Confident	25 Å²	25	27.1 Å²	27.1	13%	0.131	14%	0.141	C	C	.	.	H	α-helix	trans	-70.1	-38.7	-179.7	-66.4	-178.7	0	0	0	112.3	V761 A762 F799 F930 D945	V761-L765 HydrophobicContact CG1-CD1 3.72Å; V761-L765 HydrophobicContact CG1-CG 4.1Å; V761-L765 WeakPolarHBondContact O-CG 3.29Å; V761-L765 PolarHBondContact O-N 2.77Å; A762-L765 PolarHBondContact O-N 3.22Å; L765-F799 HydrophobicContact CD2-CE2 4.04Å; L765-F930 HydrophobicContact CB-CD1 4.01Å; L765-F930 HydrophobicContact CB-CE1 3.8Å; L765-F930 HydrophobicContact CB-CZ 4.21Å; L765-F930 HydrophobicContact CD1-CB 4.26Å; L765-F930 HydrophobicContact CD1-CD1 4.05Å; L765-F930 HydrophobicContact CD1-CD2 3.99Å; L765-F930 HydrophobicContact CD1-CE1 4.44Å; L765-F930 HydrophobicContact CD1-CE2 4.39Å; L765-F930 HydrophobicContact CD1-CG 3.83Å; L765-F930 HydrophobicContact CD2-CB 4.19Å; L765-F930 HydrophobicContact CD2-CD1 3.67Å; L765-F930 HydrophobicContact CD2-CE1 4.33Å; L765-F930 HydrophobicContact CD2-CG 4.05Å; L765-F930 HydrophobicContact CG-CD1 4.11Å; L765-F930 HydrophobicContact CG-CE1 4.4Å; L765-F930 HydrophobicContact CG-CG 4.37Å; L765-D945 HydrophobicContact CD2-CB 3.81Å
766	T	87.6	Confident	88.5	Confident	50 Å²	50	35.5 Å²	35.5	31%	0.307	18%	0.18	S	C	.	.	H	α-helix	trans	-88	-28.1	-176.4	60.8	0	0	0	0	113.9	L738 C742 A762 Y839	L738-T766 HydrophobicContact CB-CG2 4.25Å; L738-T766 HydrophobicContact CD2-CG2 3.8Å; C742-T766 HydrophobicContact CB-CG2 3.85Å; A762-T766 WeakPolarHBondContact O-CB 3.37Å; A762-T766 WeakPolarHBondContact O-CG2 3.25Å; A762-T766 PolarHBondContact O-N 3.09Å; A762-T766 PolarHBondContact O-OG1 2.95Å; T766-Y839 PolarHBondContact OG1-OH 3.03Å
767	F	85	Confident	87.7	Confident	100 Å²	100	38.1 Å²	38.1	44%	0.439	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-72.4	179.3	177.8	-124.6	0	0	0	112.2	S763 T828 D831 I832 L835	S763-F767 VanDerWaalsContact O-CB 3.23Å; S763-F767 WeakPolarHBondContact O-CB 3.28Å; S763-F767 PolarHBondContact O-N 2.82Å; F767-T828 HydrophobicContact CE1-CG2 4.23Å; F767-D831 HydrophobicContact CE1-CB 3.76Å; F767-D831 HydrophobicContact CZ-CB 4.12Å; F767-I832 HydrophobicContact CD1-CG1 4.11Å; F767-L835 HydrophobicContact CB-CD1 3.38Å; F767-L835 HydrophobicContact CD1-CD1 3.87Å; F767-L835 HydrophobicContact CD2-CD1 4.17Å; F767-L835 HydrophobicContact CG-CD1 3.56Å
768	R	80.3	Confident	86.8	Confident	21 Å²	21	41.5 Å²	41.5	8%	0.079	21%	0.206	C	C	.	.			trans	-169.9	143.8	-176.2	-159.2	-169.2	159	178.6	1.9	112.5	R506 C764 T828	R506-R768 VanDerWaalsContact C-NH1 3.26Å; R506-R768 HydrophobicContact CG-CG 4.18Å; R506-R768 PolarHBondContact O-NH1 3.01Å; C764-R768 CarbonylContact O-C 3.15Å; C764-R768 PolarHBondContact O-N 3.03Å; R768-T828 HydrophobicContact CB-CG2 4.29Å
769	D	88.4	Confident	86.2	Confident	31 Å²	31	49.6 Å²	49.6	17%	0.166	24%	0.244	C	C	.	.			trans	-56.7	126.7	162.3	-171.3	-44.3	0	0	0	111.4	F771 R785	D769-F771 VanDerWaalsContact C-N 3.3Å; D769-F771 PolarHBondContact O-N 2.72Å; D769-F771 VanDerWaalsContact OD1-CB 3.28Å; D769-F771 WeakPolarHBondContact OD1-CB 3.5Å; D769-F771 WeakPolarHBondContact OD1-CD2 3.35Å; D769-F771 PolarHBondContact OD1-N 2.74Å; D769-R785 IonicContact OD1-NH1 2.84Å; D769-R785 PolarHBondContact OD1-NH1 2.69Å; D769-R785 IonicContact OD2-CZ 3.52Å; D769-R785 IonicContact OD2-NH1 3.97Å; D769-R785 PolarHBondContact OD2-NH1 3.32Å; D769-R785 IonicContact OD2-NH2 2.79Å; D769-R785 PolarHBondContact OD2-NH2 2.82Å
770	P	91.9	Very high	85.8	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.263	C	S	.	.	S	Bend	trans	-72.4	-15	-179	29.3	-35.6	0	0	0	114.7	F799 V802 L824 N825 T828 I829 I832	P770-F799 HydrophobicContact CG-CD1 4.19Å; P770-F799 HydrophobicContact CG-CE1 4.49Å; P770-V802 HydrophobicContact CG-CG1 4.38Å; P770-L824 HydrophobicContact CB-CD2 4.35Å; P770-L824 HydrophobicContact CG-CD2 4.47Å; P770-L824 WeakPolarHBondContact O-CA 3.34Å; P770-N825 PolarHBondContact O-N 3.5Å; P770-T828 HydrophobicContact CB-CG2 4.47Å; P770-I829 HydrophobicContact CB-CG1 4.09Å; P770-I832 HydrophobicContact CB-CD1 3.94Å; P770-I832 HydrophobicContact CG-CD1 4.36Å
771	F	91.1	Very high	85.3	Confident	14 Å²	14	53.9 Å²	53.9	6%	0.061	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-76.5	130.7	178.8	-67.2	-98.1	0	0	0	111.2	D769 V773 R785 L788 V798 V802 Y822 F823 L824	D769-F771 VanDerWaalsContact C-N 3.3Å; D769-F771 PolarHBondContact O-N 2.72Å; D769-F771 VanDerWaalsContact OD1-CB 3.28Å; D769-F771 WeakPolarHBondContact OD1-CB 3.5Å; D769-F771 WeakPolarHBondContact OD1-CD2 3.35Å; D769-F771 PolarHBondContact OD1-N 2.74Å; F771-V773 HydrophobicContact CB-CG2 4.46Å; F771-R785 HydrophobicContact CE1-CB 4.06Å; F771-R785 HydrophobicContact CE1-CG 4.04Å; F771-R785 HydrophobicContact CE2-CG 4.21Å; F771-R785 HydrophobicContact CZ-CB 4.25Å; F771-R785 HydrophobicContact CZ-CG 3.77Å; F771-L788 HydrophobicContact CE1-CD1 3.82Å; F771-L788 HydrophobicContact CZ-CD1 3.58Å; F771-V798 HydrophobicContact CE2-CG1 3.68Å; F771-V798 HydrophobicContact CZ-CG1 3.6Å; F771-V802 HydrophobicContact CE2-CG2 4.16Å; F771-V802 HydrophobicContact CZ-CG2 4.02Å; F771-Y822 WeakPolarHBondContact CD1-O 3.14Å; F771-Y822 WeakPolarHBondContact CE1-O 3.23Å; F771-F823 CarbonylContact C-O 3.57Å; F771-F823 WeakPolarHBondContact CA-O 3.47Å; F771-L824 HydrophobicContact CD1-CD2 3.76Å; F771-L824 HydrophobicContact CD2-CD2 4.02Å; F771-L824 HydrophobicContact CE1-CD2 3.74Å; F771-L824 HydrophobicContact CE2-CD2 4.02Å; F771-L824 HydrophobicContact CG-CD2 3.91Å; F771-L824 HydrophobicContact CZ-CD2 3.88Å
772	E	82.5	Confident	84.8	Confident	78 Å²	78	56.7 Å²	56.7	36%	0.364	28%	0.279	S	S	.	.			trans	-122.6	95.9	172.9	-175.7	168.5	-175.6	0	0	110.1	P774 F823 N825	E772-P774 WeakPolarHBondContact O-CD 3.4Å; E772-F823 PolarHBondContact N-O 2.99Å; E772-N825 HydrophobicContact CB-CB 4.34Å; E772-N825 PolarHBondContact OE2-ND2 3.45Å
773	V	77.3	Confident	84.4	Confident	30 Å²	30	64 Å²	64	18%	0.182	31%	0.307	C	S	.	.			trans	-95.4	123.6	-173.3	-174.8	0	0	0	0	110.9	K477 F771 Q778 A781	K477-V773 PolarHBondContact NZ-O 2.77Å; K477-V773 VanDerWaalsContact NZ-O 3.13Å; F771-V773 HydrophobicContact CB-CG2 4.46Å; V773-Q778 HydrophobicContact CG1-CB 4.45Å; V773-Q778 VanDerWaalsContact CG1-OE1 3.28Å; V773-A781 HydrophobicContact CB-CB 4.06Å; V773-A781 HydrophobicContact CG1-CB 3.38Å; V773-A781 HydrophobicContact CG2-CB 3.49Å; V773-A781 VanDerWaalsContact CG2-CB 3.49Å
774	P	72.7	Confident	84.3	Confident	57 Å²	57	64.7 Å²	64.7	37%	0.37	31%	0.311	S	S	.	.			trans	-64.1	140.4	165.3	-20	32.9	0	0	0	110.5	E772 E776 K777 Q778 F823	E772-P774 WeakPolarHBondContact O-CD 3.4Å; P774-E776 PolarHBondContact O-N 2.85Å; P774-E776 VanDerWaalsContact O-N 3.13Å; P774-K777 HydrophobicContact CB-CB 4.28Å; P774-K777 HydrophobicContact CB-CG 4.49Å; P774-K777 HydrophobicContact CG-CB 4.43Å; P774-K777 HydrophobicContact CG-CD 4.48Å; P774-K777 PolarHBondContact O-N 2.82Å; P774-Q778 PolarHBondContact O-N 2.83Å; P774-F823 HydrophobicContact CG-CD1 4.37Å; P774-F823 HydrophobicContact CG-CE1 4.44Å
775	L	61.7	Low	84.2	Confident	110 Å²	110	65.3 Å²	65.3	58%	0.576	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-53.9	-38.5	-176	-163.8	91	0	0	0	112.4	K777	L775-K777 VanDerWaalsContact C-N 3.33Å
776	E	71.1	Confident	84.1	Confident	176 Å²	176	66.3 Å²	66.3	82%	0.822	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-75.7	-19.9	-178	-65.2	167.5	-163.6	0	0	113.5	P774	P774-E776 PolarHBondContact O-N 2.85Å; P774-E776 VanDerWaalsContact O-N 3.13Å
777	K	81.4	Confident	84.4	Confident	92 Å²	92	68.3 Å²	68.3	40%	0.4	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-107.7	19.2	-175.5	-66.1	-168.3	162.8	-140.4	0	113	P774 L775 Q779 E780 A781 F823	P774-K777 HydrophobicContact CB-CB 4.28Å; P774-K777 HydrophobicContact CB-CG 4.49Å; P774-K777 HydrophobicContact CG-CB 4.43Å; P774-K777 HydrophobicContact CG-CD 4.48Å; P774-K777 PolarHBondContact O-N 2.82Å; L775-K777 VanDerWaalsContact C-N 3.33Å; K777-Q779 VanDerWaalsContact C-N 3.33Å; K777-Q779 PolarHBondContact O-N 3.2Å; K777-E780 HydrophobicContact CB-CB 4.43Å; K777-E780 WeakPolarHBondContact CD-OE2 3.42Å; K777-E780 IonicContact NZ-OE2 2.78Å; K777-E780 PolarHBondContact NZ-OE2 2.85Å; K777-E780 PolarHBondContact O-N 2.97Å; K777-E780 VanDerWaalsContact O-N 3.15Å; K777-A781 WeakPolarHBondContact O-CB 3.33Å; K777-A781 PolarHBondContact O-N 2.84Å; K777-F823 HydrophobicContact CB-CE1 3.82Å; K777-F823 HydrophobicContact CB-CZ 4.05Å; K777-F823 HydrophobicContact CD-CE1 3.57Å; K777-F823 HydrophobicContact CD-CZ 3.9Å; K777-F823 HydrophobicContact CG-CE1 4.36Å
778	Q	79.3	Confident	84.9	Confident	82 Å²	82	63.9 Å²	63.9	38%	0.383	30%	0.303	S	S	.	.	H	α-helix	trans	-56.3	-45.7	-176.8	-170.1	64.4	43.1	0	0	112.5	V773 P774 E780 A781 D782	V773-Q778 HydrophobicContact CG1-CB 4.45Å; V773-Q778 VanDerWaalsContact CG1-OE1 3.28Å; P774-Q778 PolarHBondContact O-N 2.83Å; Q778-E780 VanDerWaalsContact C-N 3.35Å; Q778-E780 PolarHBondContact O-N 3.49Å; Q778-A781 PolarHBondContact O-N 3.01Å; Q778-D782 PolarHBondContact NE2-OD1 2.85Å; Q778-D782 WeakPolarHBondContact O-CB 3.43Å; Q778-D782 PolarHBondContact O-N 2.8Å
779	Q	85.8	Confident	85.4	Confident	169 Å²	169	62.9 Å²	62.9	79%	0.79	30%	0.299	S	S	*	.	H	α-helix	trans	-66.1	-36.3	179.7	-64.2	-177.5	-0.4	0	0	112.9	K777 R783	K777-Q779 VanDerWaalsContact C-N 3.33Å; K777-Q779 PolarHBondContact O-N 3.2Å; Q779-R783 PolarHBondContact O-N 3.15Å; Q779-R783 VanDerWaalsContact O-N 3.15Å
780	E	88.7	Confident	85.5	Confident	89 Å²	89	67.4 Å²	67.4	42%	0.416	32%	0.319	S	S	.	.	H	α-helix	trans	-66.7	-46.5	176	-167.2	-175.7	176	0	0	110	K777 Q778 D782 R783 C784 F823	K777-E780 HydrophobicContact CB-CB 4.43Å; K777-E780 WeakPolarHBondContact CD-OE2 3.42Å; K777-E780 IonicContact NZ-OE2 2.78Å; K777-E780 PolarHBondContact NZ-OE2 2.85Å; K777-E780 PolarHBondContact O-N 2.97Å; K777-E780 VanDerWaalsContact O-N 3.15Å; Q778-E780 VanDerWaalsContact C-N 3.35Å; Q778-E780 PolarHBondContact O-N 3.49Å; E780-D782 PolarHBondContact O-N 3.11Å; E780-R783 WeakPolarHBondContact O-CB 3.11Å; E780-R783 PolarHBondContact O-N 2.9Å; E780-C784 PolarHBondContact O-N 2.87Å; E780-C784 PolarHBondContact O-SG 2.92Å; E780-C784 VanDerWaalsContact O-SG 3.36Å; E780-F823 HydrophobicContact CB-CE2 4.24Å; E780-F823 HydrophobicContact CB-CZ 4.09Å; E780-F823 HydrophobicContact CG-CE2 3.9Å; E780-F823 HydrophobicContact CG-CZ 3.85Å
781	A	87.1	Confident	85.3	Confident	3 Å²	3	72.7 Å²	72.7	3%	0.025	35%	0.347	C	S	.	.	H	α-helix	trans	-64.7	-39.2	177.2	0	0	0	0	0	113	V773 K777 Q778 R783 C784 R785 F823	V773-A781 HydrophobicContact CB-CB 4.06Å; V773-A781 HydrophobicContact CG1-CB 3.38Å; V773-A781 HydrophobicContact CG2-CB 3.49Å; V773-A781 VanDerWaalsContact CG2-CB 3.49Å; K777-A781 WeakPolarHBondContact O-CB 3.33Å; K777-A781 PolarHBondContact O-N 2.84Å; Q778-A781 PolarHBondContact O-N 3.01Å; A781-R783 VanDerWaalsContact C-N 3.27Å; A781-R783 PolarHBondContact O-N 3.26Å; A781-C784 PolarHBondContact O-N 2.79Å; A781-R785 WeakPolarHBondContact O-CB 3.33Å; A781-R785 PolarHBondContact O-N 2.82Å; A781-F823 HydrophobicContact CB-CB 4.36Å; A781-F823 HydrophobicContact CB-CD2 3.65Å; A781-F823 HydrophobicContact CB-CE2 4.04Å; A781-F823 HydrophobicContact CB-CG 3.91Å
782	D	87.6	Confident	85.2	Confident	59 Å²	59	72.1 Å²	72.1	32%	0.316	35%	0.345	S	S	.	.	H	α-helix	trans	-61.8	-38.3	175.1	-66.6	-17.1	0	0	0	110.7	Q778 E780 K786	Q778-D782 PolarHBondContact NE2-OD1 2.85Å; Q778-D782 WeakPolarHBondContact O-CB 3.43Å; Q778-D782 PolarHBondContact O-N 2.8Å; E780-D782 PolarHBondContact O-N 3.11Å; D782-K786 WeakPolarHBondContact O-CB 3.42Å; D782-K786 PolarHBondContact O-N 3.11Å
783	R	89.8	Confident	85.7	Confident	155 Å²	155	69.9 Å²	69.9	59%	0.585	33%	0.334	S	S	*	.	H	α-helix	trans	-64.6	-47.5	173.6	-173.4	-170.8	-60.5	-104.5	0.1	111.3	Q779 E780 A781 R785 K786 E787	Q779-R783 PolarHBondContact O-N 3.15Å; Q779-R783 VanDerWaalsContact O-N 3.15Å; E780-R783 WeakPolarHBondContact O-CB 3.11Å; E780-R783 PolarHBondContact O-N 2.9Å; A781-R783 VanDerWaalsContact C-N 3.27Å; A781-R783 PolarHBondContact O-N 3.26Å; R783-R785 PolarHBondContact O-N 2.64Å; R783-K786 WeakPolarHBondContact O-CB 3.21Å; R783-K786 PolarHBondContact O-N 3.15Å; R783-K786 VanDerWaalsContact O-N 3.17Å; R783-E787 PolarHBondContact O-N 3.35Å
784	C	93.2	Very high	86.6	Confident	13 Å²	13	68.4 Å²	68.4	9%	0.088	33%	0.325	C	S	.	.	H	α-helix	trans	-61	-41.3	176.9	-71.4	0	0	0	0	112.4	E780 A781 K786 E787 L788 Y822 F823	E780-C784 PolarHBondContact O-N 2.87Å; E780-C784 PolarHBondContact O-SG 2.92Å; E780-C784 VanDerWaalsContact O-SG 3.36Å; A781-C784 PolarHBondContact O-N 2.79Å; C784-K786 VanDerWaalsContact C-N 3.31Å; C784-K786 PolarHBondContact O-N 3.4Å; C784-E787 WeakPolarHBondContact O-CB 3.28Å; C784-E787 PolarHBondContact O-N 2.95Å; C784-L788 PolarHBondContact O-N 3.25Å; C784-Y822 HydrophobicContact CB-CD1 3.88Å; C784-F823 HydrophobicContact CB-CD2 4.32Å
785	R	92.8	Very high	87.7	Confident	18 Å²	18	65.8 Å²	65.8	7%	0.068	31%	0.308	C	S	.	.	H	α-helix	trans	-64.6	-36.5	175	-163.8	175.7	-174.3	128.8	-7.4	111.5	D769 F771 A781 R783 S789 V798 V915	D769-R785 IonicContact OD1-NH1 2.84Å; D769-R785 PolarHBondContact OD1-NH1 2.69Å; D769-R785 IonicContact OD2-CZ 3.52Å; D769-R785 IonicContact OD2-NH1 3.97Å; D769-R785 PolarHBondContact OD2-NH1 3.32Å; D769-R785 IonicContact OD2-NH2 2.79Å; D769-R785 PolarHBondContact OD2-NH2 2.82Å; F771-R785 HydrophobicContact CE1-CB 4.06Å; F771-R785 HydrophobicContact CE1-CG 4.04Å; F771-R785 HydrophobicContact CE2-CG 4.21Å; F771-R785 HydrophobicContact CZ-CB 4.25Å; F771-R785 HydrophobicContact CZ-CG 3.77Å; A781-R785 WeakPolarHBondContact O-CB 3.33Å; A781-R785 PolarHBondContact O-N 2.82Å; R783-R785 PolarHBondContact O-N 2.64Å; R785-S789 PolarHBondContact O-N 3.11Å; R785-V798 HydrophobicContact CG-CG1 4.02Å; R785-V915 HydrophobicContact CG-CG1 3.93Å
786	K	90.9	Very high	89.4	Confident	46 Å²	46	60.5 Å²	60.5	20%	0.2	28%	0.281	C	S	.	.	H	α-helix	trans	-67.8	-39.1	174.3	-168.6	64.6	175.9	178.5	0	112.1	D782 R783 C784 S789 V915	D782-K786 WeakPolarHBondContact O-CB 3.42Å; D782-K786 PolarHBondContact O-N 3.11Å; R783-K786 WeakPolarHBondContact O-CB 3.21Å; R783-K786 PolarHBondContact O-N 3.15Å; R783-K786 VanDerWaalsContact O-N 3.17Å; C784-K786 VanDerWaalsContact C-N 3.31Å; C784-K786 PolarHBondContact O-N 3.4Å; K786-S789 WeakPolarHBondContact O-CB 3.31Å; K786-S789 PolarHBondContact O-N 2.6Å; K786-S789 PolarHBondContact O-OG 2.91Å; K786-V915 HydrophobicContact CD-CB 4.2Å; K786-V915 PolarHBondContact NZ-O 3.13Å
787	E	94	Very high	90.7	Very high	91 Å²	91	52.9 Å²	52.9	43%	0.425	24%	0.244	S	C	.	.	H	α-helix	trans	-59.7	-49.7	173.3	-174.3	-174.5	150.4	0	0	111	R783 C784 S789 Q790 R821 Y822	R783-E787 PolarHBondContact O-N 3.35Å; C784-E787 WeakPolarHBondContact O-CB 3.28Å; C784-E787 PolarHBondContact O-N 2.95Å; E787-S789 PolarHBondContact O-N 2.94Å; E787-Q790 PolarHBondContact O-N 2.99Å; E787-R821 IonicContact OE1-CZ 2.94Å; E787-R821 IonicContact OE1-NH2 3.82Å; E787-R821 PolarHBondContact OE1-NH2 2.77Å; E787-Y822 HydrophobicContact CB-CE1 4.48Å; E787-Y822 HydrophobicContact CG-CE1 4.36Å; E787-Y822 PolarHBondContact OE1-OH 2.93Å
788	L	94.6	Very high	91.4	Very high	8 Å²	8	48.5 Å²	48.5	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-62.1	-24.2	175.3	-72.3	169.3	0	0	0	113.4	F771 C784 Q790 V798 T801 V802 F818 Y822	F771-L788 HydrophobicContact CE1-CD1 3.82Å; F771-L788 HydrophobicContact CZ-CD1 3.58Å; C784-L788 PolarHBondContact O-N 3.25Å; L788-Q790 PolarHBondContact O-N 3.14Å; L788-V798 HydrophobicContact CB-CG1 4.04Å; L788-T801 HydrophobicContact CD2-CG2 4.36Å; L788-T801 WeakPolarHBondContact O-CG2 3.06Å; L788-V802 HydrophobicContact CD1-CG2 3.74Å; L788-F818 HydrophobicContact CD2-CE2 4.31Å; L788-F818 HydrophobicContact CD2-CZ 4.23Å; L788-Y822 HydrophobicContact CD1-CD1 3.53Å; L788-Y822 HydrophobicContact CD1-CE1 4.27Å; L788-Y822 HydrophobicContact CD1-CG 3.78Å; L788-Y822 HydrophobicContact CD2-CD1 3.97Å; L788-Y822 HydrophobicContact CD2-CD2 4.43Å; L788-Y822 HydrophobicContact CD2-CE1 3.96Å; L788-Y822 HydrophobicContact CD2-CE2 4.4Å; L788-Y822 HydrophobicContact CD2-CG 4.24Å; L788-Y822 HydrophobicContact CG-CD1 3.53Å; L788-Y822 HydrophobicContact CG-CE1 3.74Å; L788-Y822 HydrophobicContact CG-CG 4.12Å
789	S	92.5	Very high	92.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-20.8	175	83.5	0	0	0	0	112.9	R785 K786 E787 N791 S792	R785-S789 PolarHBondContact O-N 3.11Å; K786-S789 WeakPolarHBondContact O-CB 3.31Å; K786-S789 PolarHBondContact O-N 2.6Å; K786-S789 PolarHBondContact O-OG 2.91Å; E787-S789 PolarHBondContact O-N 2.94Å; S789-N791 PolarHBondContact O-N 2.93Å; S789-N791 PolarHBondContact OG-N 3.24Å; S789-S792 WeakPolarHBondContact O-CB 3.35Å; S789-S792 PolarHBondContact O-N 2.92Å; S789-S792 PolarHBondContact O-OG 3.3Å
790	Q	89.5	Confident	92.8	Very high	126 Å²	126	37 Å²	37	59%	0.589	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	30.3	-176.1	-57.4	174.1	-10.9	0	0	113.4	E787 L788 S792	E787-Q790 PolarHBondContact O-N 2.99Å; L788-Q790 PolarHBondContact O-N 3.14Å; Q790-S792 PolarHBondContact O-N 2.79Å
791	N	87.5	Confident	93.2	Very high	110 Å²	110	32.9 Å²	32.9	59%	0.588	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	26.1	-172.3	-57.3	-46.4	0	0	0	114.4	S789 F793	S789-N791 PolarHBondContact O-N 2.93Å; S789-N791 PolarHBondContact OG-N 3.24Å; N791-F793 WeakPolarHBondContact O-CD2 3.3Å; N791-F793 WeakPolarHBondContact O-CE2 3.45Å; N791-F793 PolarHBondContact O-N 2.56Å
792	S	90	Very high	93.7	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.021	15%	0.152	C	C	.	.			trans	-68	-15.7	174.3	60	0	0	0	0	114.3	S789 Q790 S794 I866 R870	S789-S792 WeakPolarHBondContact O-CB 3.35Å; S789-S792 PolarHBondContact O-N 2.92Å; S789-S792 PolarHBondContact O-OG 3.3Å; Q790-S792 PolarHBondContact O-N 2.79Å; S792-S794 PolarHBondContact O-N 2.91Å; S792-S794 VanDerWaalsContact O-N 3.15Å; S792-S794 PolarHBondContact OG-N 2.94Å; S792-I866 VanDerWaalsContact CB-CD1 3.41Å; S792-R870 PolarHBondContact O-NH2 3.22Å
793	F	92.8	Very high	94.2	Very high	30 Å²	30	30 Å²	30	13%	0.132	14%	0.138	C	C	.	.			trans	52	33.4	-172.6	-54.7	-83	0	0	0	113.3	N791 N916 I919 V948 V1037 V1039	N791-F793 WeakPolarHBondContact O-CD2 3.3Å; N791-F793 WeakPolarHBondContact O-CE2 3.45Å; N791-F793 PolarHBondContact O-N 2.56Å; F793-N916 VanDerWaalsContact CA-OD1 3.28Å; F793-N916 WeakPolarHBondContact CA-OD1 3.44Å; F793-N916 PolarHBondContact O-ND2 2.76Å; F793-N916 PolarHBondContact O-OD1 2.8Å; F793-I919 HydrophobicContact CD1-CD1 4.25Å; F793-V948 HydrophobicContact CB-CB 4Å; F793-V948 HydrophobicContact CB-CG2 3.72Å; F793-V948 PolarHBondContact O-N 3.16Å; F793-V948 VanDerWaalsContact O-N 3.08Å; F793-V1037 HydrophobicContact CD1-CB 4.39Å; F793-V1037 HydrophobicContact CD1-CG1 3.89Å; F793-V1037 HydrophobicContact CE1-CB 3.87Å; F793-V1037 HydrophobicContact CE1-CG1 3.39Å; F793-V1037 HydrophobicContact CE2-CB 4.28Å; F793-V1037 HydrophobicContact CZ-CB 3.82Å; F793-V1037 HydrophobicContact CZ-CG1 3.86Å; F793-V1039 HydrophobicContact CD1-CG2 4.41Å; F793-V1039 HydrophobicContact CE1-CG2 3.46Å; F793-V1039 VanDerWaalsContact CE1-CG2 3.46Å; F793-V1039 HydrophobicContact CZ-CG2 4.16Å
794	S	95.4	Very high	94.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-135.8	116.4	-178.1	176.1	0	0	0	0	109.8	S792 H796 W797 V798 T947	S792-S794 PolarHBondContact O-N 2.91Å; S792-S794 VanDerWaalsContact O-N 3.15Å; S792-S794 PolarHBondContact OG-N 2.94Å; S794-H796 PolarHBondContact O-N 3.4Å; S794-H796 PolarHBondContact OG-N 2.9Å; S794-W797 PolarHBondContact O-N 3.43Å; S794-W797 PolarHBondContact OG-N 2.69Å; S794-V798 PolarHBondContact O-N 2.91Å; S794-T947 WeakPolarHBondContact CB-OG1 3.28Å; S794-T947 PolarHBondContact OG-OG1 3.33Å
795	D	96.3	Very high	94.6	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-62.5	-36.7	170.2	-67	-50.4	0	0	0	110.5	V798 S914 V915 S946	D795-V798 VanDerWaalsContact O-CB 3.32Å; D795-V798 WeakPolarHBondContact O-CB 3.42Å; D795-V798 PolarHBondContact O-N 3.43Å; D795-S914 VanDerWaalsContact CG-OG 3.3Å; D795-S914 VanDerWaalsContact OD1-CA 3.3Å; D795-S914 WeakPolarHBondContact OD1-CA 3.18Å; D795-S914 PolarHBondContact OD1-OG 2.84Å; D795-S914 WeakPolarHBondContact OD2-CB 3.45Å; D795-S914 PolarHBondContact OD2-OG 3.35Å; D795-V915 WeakPolarHBondContact OD1-CG2 3.44Å; D795-V915 PolarHBondContact OD1-N 2.71Å; D795-S946 PolarHBondContact N-O 3.23Å; D795-S946 PolarHBondContact OD2-N 2.98Å; D795-S946 PolarHBondContact OD2-OG 3.2Å
796	H	97.4	Very high	94.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.1	-41.2	177.6	-55.4	111.8	0	0	0	112.1	V761 S794 V798 F799 A800 F869 M873 D945 T947	V761-H796 HydrophobicContact CG1-CB 3.97Å; V761-H796 HydrophobicContact CG2-CB 3.88Å; V761-H796 VanDerWaalsContact CG2-O 3.3Å; V761-H796 WeakPolarHBondContact CG2-O 3.32Å; S794-H796 PolarHBondContact O-N 3.4Å; S794-H796 PolarHBondContact OG-N 2.9Å; H796-V798 PolarHBondContact O-N 2.96Å; H796-F799 WeakPolarHBondContact O-CB 3.17Å; H796-F799 PolarHBondContact O-N 3.38Å; H796-A800 PolarHBondContact O-N 3.26Å; H796-F869 HydrophobicContact CB-CE1 4.04Å; H796-F869 HydrophobicContact CB-CZ 3.79Å; H796-M873 HydrophobicContact CB-CE 4.18Å; H796-M873 HydrophobicContact CB-SD 4.09Å; H796-M873 WeakPolarHBondContact ND1-CE 3.4Å; H796-D945 VanDerWaalsContact CE1-C 3.49Å; H796-D945 PolarHBondContact CE1-O 2.77Å; H796-D945 PolarHBondContact NE2-O 3.26Å; H796-T947 PolarHBondContact ND1-OG1 2.9Å
797	W	97.1	Very high	95.1	Very high	15 Å²	15	27.3 Å²	27.3	6%	0.057	14%	0.138	C	C	.	.	H	α-helix	trans	-63.5	-29.4	177.3	-168.7	-100.1	0	0	0	113	S794 F799 A800 T801 I866 F869	S794-W797 PolarHBondContact O-N 3.43Å; S794-W797 PolarHBondContact OG-N 2.69Å; W797-F799 VanDerWaalsContact C-N 3.27Å; W797-F799 PolarHBondContact O-N 3.01Å; W797-A800 PolarHBondContact O-N 2.97Å; W797-T801 PolarHBondContact NE1-OG1 2.79Å; W797-T801 WeakPolarHBondContact O-CB 3.33Å; W797-T801 PolarHBondContact O-N 3.19Å; W797-T801 PolarHBondContact O-OG1 2.95Å; W797-I866 HydrophobicContact CD2-CD1 4.32Å; W797-I866 HydrophobicContact CD2-CG1 4.29Å; W797-I866 HydrophobicContact CE3-CG1 4.36Å; W797-I866 HydrophobicContact CG-CD1 4.44Å; W797-I866 HydrophobicContact CH2-CB 4.43Å; W797-F869 HydrophobicContact CB-CE1 4.22Å; W797-F869 HydrophobicContact CE3-CB 4.21Å; W797-F869 AromaticContact CE3-CD1 3.61Å; W797-F869 HydrophobicContact CE3-CD1 3.61Å; W797-F869 AromaticContact CE3-CD2 3.87Å; W797-F869 HydrophobicContact CE3-CD2 3.87Å; W797-F869 AromaticContact CE3-CE1 3.83Å; W797-F869 HydrophobicContact CE3-CE1 3.83Å; W797-F869 HydrophobicContact CE3-CE2 4.06Å; W797-F869 AromaticContact CE3-CG 3.62Å; W797-F869 HydrophobicContact CE3-CG 3.62Å; W797-F869 HydrophobicContact CE3-CZ 4.03Å; W797-F869 HydrophobicContact CZ3-CB 3.86Å; W797-F869 HydrophobicContact CZ3-CD1 4.14Å; W797-F869 AromaticContact CZ3-CD2 3.83Å; W797-F869 HydrophobicContact CZ3-CD2 3.83Å; W797-F869 HydrophobicContact CZ3-CE2 4.38Å; W797-F869 AromaticContact CZ3-CG 3.68Å; W797-F869 HydrophobicContact CZ3-CG 3.68Å
798	V	97.3	Very high	95.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.4	-41.5	172.9	179.1	0	0	0	0	110.4	F771 R785 L788 S794 D795 H796 T801 V802 V915	F771-V798 HydrophobicContact CE2-CG1 3.68Å; F771-V798 HydrophobicContact CZ-CG1 3.6Å; R785-V798 HydrophobicContact CG-CG1 4.02Å; L788-V798 HydrophobicContact CB-CG1 4.04Å; S794-V798 PolarHBondContact O-N 2.91Å; D795-V798 VanDerWaalsContact O-CB 3.32Å; D795-V798 WeakPolarHBondContact O-CB 3.42Å; D795-V798 PolarHBondContact O-N 3.43Å; H796-V798 PolarHBondContact O-N 2.96Å; V798-T801 PolarHBondContact O-N 3.07Å; V798-V802 HydrophobicContact CG1-CG2 4.37Å; V798-V802 WeakPolarHBondContact O-CB 3.38Å; V798-V802 VanDerWaalsContact O-CG2 3.3Å; V798-V802 WeakPolarHBondContact O-CG2 3.4Å; V798-V802 PolarHBondContact O-N 3.24Å; V798-V915 HydrophobicContact CG2-CG1 3.91Å
799	F	97.5	Very high	95.2	Very high	3 Å²	3	27.3 Å²	27.3	1%	0.013	16%	0.155	C	C	.	.	H	α-helix	trans	-63	-46.2	178	-60.5	-37.8	0	0	0	111.9	C764 L765 P770 H796 W797 T801 V802 I803	C764-F799 HydrophobicContact CB-CB 4.09Å; C764-F799 HydrophobicContact CB-CD1 3.95Å; C764-F799 HydrophobicContact CB-CD2 3.59Å; C764-F799 HydrophobicContact CB-CE1 4.27Å; C764-F799 HydrophobicContact CB-CE2 3.93Å; C764-F799 HydrophobicContact CB-CG 3.62Å; C764-F799 HydrophobicContact CB-CZ 4.26Å; L765-F799 HydrophobicContact CD2-CE2 4.04Å; P770-F799 HydrophobicContact CG-CD1 4.19Å; P770-F799 HydrophobicContact CG-CE1 4.49Å; H796-F799 WeakPolarHBondContact O-CB 3.17Å; H796-F799 PolarHBondContact O-N 3.38Å; W797-F799 VanDerWaalsContact C-N 3.27Å; W797-F799 PolarHBondContact O-N 3.01Å; F799-T801 PolarHBondContact O-N 3.29Å; F799-V802 PolarHBondContact O-N 3.48Å; F799-I803 WeakPolarHBondContact O-CG1 3.35Å; F799-I803 PolarHBondContact O-N 2.59Å; F799-I803 VanDerWaalsContact O-N 3.16Å
800	A	97	Very high	95.3	Very high	7 Å²	7	34.6 Å²	34.6	6%	0.058	19%	0.194	C	C	.	.	H	α-helix	trans	-58.6	-46.9	174.9	0	0	0	0	0	111.7	P757 H796 W797 V802 I803 Q804	P757-A800 HydrophobicContact CB-CB 3.79Å; H796-A800 PolarHBondContact O-N 3.26Å; W797-A800 PolarHBondContact O-N 2.97Å; A800-V802 VanDerWaalsContact C-N 3.34Å; A800-V802 PolarHBondContact O-N 2.93Å; A800-I803 PolarHBondContact O-N 3.4Å; A800-Q804 VanDerWaalsContact O-CB 3.29Å; A800-Q804 WeakPolarHBondContact O-CB 3.36Å; A800-Q804 PolarHBondContact O-N 2.7Å
801	T	97.5	Very high	95.6	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.012	18%	0.179	C	C	.	.	H	α-helix	trans	-61.5	-41.1	179.5	-55.8	0	0	0	0	112	L788 W797 V798 F799 S805	L788-T801 HydrophobicContact CD2-CG2 4.36Å; L788-T801 WeakPolarHBondContact O-CG2 3.06Å; W797-T801 PolarHBondContact NE1-OG1 2.79Å; W797-T801 WeakPolarHBondContact O-CB 3.33Å; W797-T801 PolarHBondContact O-N 3.19Å; W797-T801 PolarHBondContact O-OG1 2.95Å; V798-T801 PolarHBondContact O-N 3.07Å; F799-T801 PolarHBondContact O-N 3.29Å; T801-S805 WeakPolarHBondContact O-CB 3.4Å; T801-S805 PolarHBondContact O-N 2.91Å; T801-S805 PolarHBondContact O-OG 2.64Å
802	V	97.5	Very high	95.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.2	-49.6	177.1	163.1	0	0	0	0	111.1	P770 F771 L788 V798 F799 A800 Y806 L824 I829	P770-V802 HydrophobicContact CG-CG1 4.38Å; F771-V802 HydrophobicContact CE2-CG2 4.16Å; F771-V802 HydrophobicContact CZ-CG2 4.02Å; L788-V802 HydrophobicContact CD1-CG2 3.74Å; V798-V802 HydrophobicContact CG1-CG2 4.37Å; V798-V802 WeakPolarHBondContact O-CB 3.38Å; V798-V802 VanDerWaalsContact O-CG2 3.3Å; V798-V802 WeakPolarHBondContact O-CG2 3.4Å; V798-V802 PolarHBondContact O-N 3.24Å; F799-V802 PolarHBondContact O-N 3.48Å; A800-V802 VanDerWaalsContact C-N 3.34Å; A800-V802 PolarHBondContact O-N 2.93Å; V802-Y806 VanDerWaalsContact O-CB 3.3Å; V802-Y806 WeakPolarHBondContact O-CB 3.01Å; V802-Y806 PolarHBondContact O-N 2.73Å; V802-L824 HydrophobicContact CG1-CD1 3.84Å; V802-L824 HydrophobicContact CG1-CD2 4.02Å; V802-L824 HydrophobicContact CG2-CD1 4.22Å; V802-L824 HydrophobicContact CG2-CD2 4.01Å; V802-I829 HydrophobicContact CG1-CD1 3.86Å; V802-I829 HydrophobicContact CG1-CG1 4.27Å
803	I	97.3	Very high	96.1	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-67.8	-47.2	-177.5	-63.3	-55.7	0	0	0	111.1	A760 F799 A800 S805 Y806 N807 I829 I832 I833 M836	A760-I803 HydrophobicContact CB-CB 4.05Å; A760-I803 HydrophobicContact CB-CG1 3.82Å; A760-I803 HydrophobicContact CB-CG2 4.45Å; F799-I803 WeakPolarHBondContact O-CG1 3.35Å; F799-I803 PolarHBondContact O-N 2.59Å; F799-I803 VanDerWaalsContact O-N 3.16Å; A800-I803 PolarHBondContact O-N 3.4Å; I803-S805 PolarHBondContact O-N 2.71Å; I803-Y806 PolarHBondContact O-N 3.41Å; I803-N807 WeakPolarHBondContact O-CB 3.3Å; I803-N807 PolarHBondContact O-N 3.37Å; I803-I829 HydrophobicContact CD1-CG2 3.89Å; I803-I832 HydrophobicContact CD1-CB 4.29Å; I803-I832 HydrophobicContact CD1-CG2 3.67Å; I803-I832 HydrophobicContact CG1-CG2 4.14Å; I803-I833 HydrophobicContact CD1-CG1 4.43Å; I803-I833 HydrophobicContact CG2-CG1 4.24Å; I803-M836 HydrophobicContact CG1-SD 4.42Å; I803-M836 HydrophobicContact CG2-CE 3.98Å; I803-M836 HydrophobicContact CG2-SD 3.72Å
804	Q	95.7	Very high	96.3	Very high	72 Å²	72	37.4 Å²	37.4	34%	0.336	21%	0.211	S	C	.	.	H	α-helix	trans	-57.1	-49.5	177.1	-177.8	-153.4	-13.8	0	0	111.3	A800 Y806 N807 G808 W864	A800-Q804 VanDerWaalsContact O-CB 3.29Å; A800-Q804 WeakPolarHBondContact O-CB 3.36Å; A800-Q804 PolarHBondContact O-N 2.7Å; Q804-Y806 VanDerWaalsContact C-N 3.32Å; Q804-Y806 PolarHBondContact O-N 3.39Å; Q804-N807 PolarHBondContact O-N 3.25Å; Q804-G808 PolarHBondContact O-N 2.95Å; Q804-W864 HydrophobicContact CG-CH2 3.87Å; Q804-W864 HydrophobicContact CG-CZ3 4.2Å; Q804-W864 VanDerWaalsContact OE1-CZ3 3.31Å
805	S	96.6	Very high	96.4	Very high	40 Å²	40	40.7 Å²	40.7	28%	0.28	22%	0.223	S	C	.	.	H	α-helix	trans	-60.9	-43.7	179.1	-59.8	0	0	0	0	110.7	T801 I803 G808 L809	T801-S805 WeakPolarHBondContact O-CB 3.4Å; T801-S805 PolarHBondContact O-N 2.91Å; T801-S805 PolarHBondContact O-OG 2.64Å; I803-S805 PolarHBondContact O-N 2.71Å; S805-G808 PolarHBondContact O-N 2.73Å; S805-L809 WeakPolarHBondContact O-CG 3.41Å; S805-L809 PolarHBondContact O-N 3.44Å
806	Y	97.7	Very high	96.4	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.008	24%	0.241	C	C	.	.	H	α-helix	trans	-63.5	-43.7	178.6	-176.3	-90.4	0	0	0	112.9	V802 I803 Q804 G808 L809 R815 F818 E826 I829 K830 I833	V802-Y806 VanDerWaalsContact O-CB 3.3Å; V802-Y806 WeakPolarHBondContact O-CB 3.01Å; V802-Y806 PolarHBondContact O-N 2.73Å; I803-Y806 PolarHBondContact O-N 3.41Å; Q804-Y806 VanDerWaalsContact C-N 3.32Å; Q804-Y806 PolarHBondContact O-N 3.39Å; Y806-G808 VanDerWaalsContact C-N 3.34Å; Y806-L809 PolarHBondContact O-N 2.83Å; Y806-R815 HydrophobicContact CD2-CB 4.21Å; Y806-R815 HydrophobicContact CD2-CG 4.19Å; Y806-R815 HydrophobicContact CE1-CG 4.48Å; Y806-R815 HydrophobicContact CE2-CB 3.59Å; Y806-R815 HydrophobicContact CE2-CG 3.86Å; Y806-F818 HydrophobicContact CD2-CD1 4.3Å; Y806-E826 HydrophobicContact CE2-CG 3.85Å; Y806-E826 WeakPolarHBondContact OH-CG 3.24Å; Y806-E826 PolarHBondContact OH-OE1 3.48Å; Y806-I829 HydrophobicContact CD1-CG2 3.52Å; Y806-I829 HydrophobicContact CD2-CD1 4.11Å; Y806-I829 HydrophobicContact CD2-CG2 4.01Å; Y806-I829 HydrophobicContact CE1-CG2 3.83Å; Y806-I829 HydrophobicContact CE2-CG2 4.29Å; Y806-I829 HydrophobicContact CG-CD1 4.49Å; Y806-I829 HydrophobicContact CG-CG2 3.62Å; Y806-K830 WeakPolarHBondContact OH-CE 3.45Å; Y806-I833 HydrophobicContact CD1-CD1 3.82Å; Y806-I833 HydrophobicContact CE1-CD1 4.01Å
807	N	95.2	Very high	96.3	Very high	62 Å²	62	50.3 Å²	50.3	33%	0.332	27%	0.267	S	S	.	.	H	α-helix	trans	-66.8	-34.6	178.5	-78	-14.3	0	0	0	112.2	I803 Q804 L809 I833	I803-N807 WeakPolarHBondContact O-CB 3.3Å; I803-N807 PolarHBondContact O-N 3.37Å; Q804-N807 PolarHBondContact O-N 3.25Å; N807-L809 PolarHBondContact O-N 2.79Å; N807-I833 VanDerWaalsContact OD1-CD1 3.25Å; N807-I833 WeakPolarHBondContact OD1-CD1 3.42Å
808	G	95.3	Very high	96.4	Very high	58 Å²	58	50.8 Å²	50.8	60%	0.598	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-7.9	178.2	0	0	0	0	0	115.4	Q804 S805 Y806	Q804-G808 PolarHBondContact O-N 2.95Å; S805-G808 PolarHBondContact O-N 2.73Å; Y806-G808 VanDerWaalsContact C-N 3.34Å
809	L	97.1	Very high	96.3	Very high	42 Å²	42	51 Å²	51	22%	0.22	27%	0.271	C	S	.	.			trans	-83.5	135.8	176.7	-63.4	168.3	0	0	0	111.1	S805 Y806 N807 E814 R815 F818	S805-L809 WeakPolarHBondContact O-CG 3.41Å; S805-L809 PolarHBondContact O-N 3.44Å; Y806-L809 PolarHBondContact O-N 2.83Å; N807-L809 PolarHBondContact O-N 2.79Å; L809-E814 HydrophobicContact CB-CB 4.14Å; L809-E814 HydrophobicContact CD1-CB 4.43Å; L809-E814 HydrophobicContact CD2-CB 4.14Å; L809-E814 HydrophobicContact CG-CB 4.43Å; L809-R815 HydrophobicContact CB-CG 3.68Å; L809-R815 HydrophobicContact CD1-CG 4.07Å; L809-R815 PolarHBondContact O-NE 3.05Å; L809-R815 VanDerWaalsContact O-NE 3.09Å; L809-R815 PolarHBondContact O-NH2 2.85Å; L809-F818 HydrophobicContact CD1-CB 3.52Å; L809-F818 HydrophobicContact CD1-CD1 4.26Å; L809-F818 HydrophobicContact CD1-CD2 4.45Å; L809-F818 HydrophobicContact CD1-CG 3.84Å
810	N	93.5	Very high	96.1	Very high	152 Å²	152	56.7 Å²	56.7	81%	0.813	30%	0.298	S	S	*	.			trans	-84.3	-36.2	-170.1	-66.6	-42.1	0	0	0	112.3	E814	N810-E814 PolarHBondContact N-OE2 3.01Å
811	S	95.1	Very high	96	Very high	40 Å²	40	63.3 Å²	63.3	28%	0.28	32%	0.322	S	S	.	.	S	Bend	trans	-111.1	151.4	-176.5	78.1	0	0	0	0	113.3	I813 E814 R815	S811-I813 PolarHBondContact O-N 2.87Å; S811-E814 PolarHBondContact N-OE2 3.31Å; S811-E814 PolarHBondContact O-N 3.1Å; S811-E814 WeakPolarHBondContact OG-CB 3.47Å; S811-E814 VanDerWaalsContact OG-CG 3.22Å; S811-E814 WeakPolarHBondContact OG-CG 3.5Å; S811-E814 PolarHBondContact OG-N 3.4Å; S811-E814 PolarHBondContact OG-OE2 3.11Å; S811-R815 WeakPolarHBondContact O-CG 3.09Å; S811-R815 PolarHBondContact O-N 3.47Å; S811-R815 VanDerWaalsContact O-N 3.08Å
812	Q	94.1	Very high	95.9	Very high	97 Å²	97	64.3 Å²	64.3	45%	0.453	33%	0.325	S	S	.	.	H	α-helix	trans	-62.7	-26.4	172.6	-178.7	57.3	43.4	0	0	112.2	H816 E826	Q812-H816 WeakPolarHBondContact O-CB 3.35Å; Q812-H816 PolarHBondContact O-N 3.47Å; Q812-H816 VanDerWaalsContact O-N 3.07Å; Q812-E826 PolarHBondContact NE2-OE1 3.22Å
813	I	95.6	Very high	95.7	Very high	118 Å²	118	65.4 Å²	65.4	61%	0.605	33%	0.33	S	S	*	.	H	α-helix	trans	-70.7	-48.3	176.4	-62.3	172.7	0	0	0	110.3	S811 R815 H816 Q817	S811-I813 PolarHBondContact O-N 2.87Å; I813-R815 VanDerWaalsContact C-N 3.34Å; I813-R815 PolarHBondContact O-N 3.05Å; I813-H816 WeakPolarHBondContact O-CB 3.39Å; I813-H816 PolarHBondContact O-N 2.73Å; I813-Q817 HydrophobicContact CG2-CG 4.49Å; I813-Q817 WeakPolarHBondContact O-CG 3.41Å; I813-Q817 PolarHBondContact O-N 2.89Å
814	E	97.2	Very high	95.5	Very high	74 Å²	74	66 Å²	66	35%	0.346	33%	0.333	S	S	.	.	H	α-helix	trans	-58.7	-45.5	175.9	-75.1	164.6	177.4	0	0	111.4	L809 N810 S811 H816 Q817 F818	L809-E814 HydrophobicContact CB-CB 4.14Å; L809-E814 HydrophobicContact CD1-CB 4.43Å; L809-E814 HydrophobicContact CD2-CB 4.14Å; L809-E814 HydrophobicContact CG-CB 4.43Å; N810-E814 PolarHBondContact N-OE2 3.01Å; S811-E814 PolarHBondContact N-OE2 3.31Å; S811-E814 PolarHBondContact O-N 3.1Å; S811-E814 WeakPolarHBondContact OG-CB 3.47Å; S811-E814 VanDerWaalsContact OG-CG 3.22Å; S811-E814 WeakPolarHBondContact OG-CG 3.5Å; S811-E814 PolarHBondContact OG-N 3.4Å; S811-E814 PolarHBondContact OG-OE2 3.11Å; E814-H816 VanDerWaalsContact C-N 3.3Å; E814-H816 PolarHBondContact O-N 3.42Å; E814-Q817 PolarHBondContact O-N 3.39Å; E814-F818 WeakPolarHBondContact O-CB 3.2Å; E814-F818 PolarHBondContact O-N 3.12Å
815	R	97.1	Very high	95.2	Very high	69 Å²	69	63.8 Å²	63.8	26%	0.26	32%	0.324	S	S	.	.	H	α-helix	trans	-57.4	-44.3	175.7	-74.2	177.1	-170.5	-174.2	1.3	111.8	Y806 L809 S811 I813 C819	Y806-R815 HydrophobicContact CD2-CB 4.21Å; Y806-R815 HydrophobicContact CD2-CG 4.19Å; Y806-R815 HydrophobicContact CE1-CG 4.48Å; Y806-R815 HydrophobicContact CE2-CB 3.59Å; Y806-R815 HydrophobicContact CE2-CG 3.86Å; L809-R815 HydrophobicContact CB-CG 3.68Å; L809-R815 HydrophobicContact CD1-CG 4.07Å; L809-R815 PolarHBondContact O-NE 3.05Å; L809-R815 VanDerWaalsContact O-NE 3.09Å; L809-R815 PolarHBondContact O-NH2 2.85Å; S811-R815 WeakPolarHBondContact O-CG 3.09Å; S811-R815 PolarHBondContact O-N 3.47Å; S811-R815 VanDerWaalsContact O-N 3.08Å; I813-R815 VanDerWaalsContact C-N 3.34Å; I813-R815 PolarHBondContact O-N 3.05Å; R815-C819 WeakPolarHBondContact O-CB 3.33Å; R815-C819 PolarHBondContact O-N 2.62Å; R815-C819 PolarHBondContact O-SG 3.46Å
816	H	95	Very high	95	Very high	85 Å²	85	63 Å²	63	39%	0.394	32%	0.316	S	S	.	.	H	α-helix	trans	-64.4	-45.4	177.5	-168.7	67.7	0	0	0	112.1	Q812 I813 E814 C819 Q820 E826	Q812-H816 WeakPolarHBondContact O-CB 3.35Å; Q812-H816 PolarHBondContact O-N 3.47Å; Q812-H816 VanDerWaalsContact O-N 3.07Å; I813-H816 WeakPolarHBondContact O-CB 3.39Å; I813-H816 PolarHBondContact O-N 2.73Å; E814-H816 VanDerWaalsContact C-N 3.3Å; E814-H816 PolarHBondContact O-N 3.42Å; H816-C819 PolarHBondContact O-N 3.36Å; H816-Q820 PolarHBondContact CD2-NE2 3.27Å; H816-Q820 PolarHBondContact NE2-NE2 3.39Å; H816-Q820 WeakPolarHBondContact O-CG 3.34Å; H816-Q820 PolarHBondContact O-N 3.09Å; H816-E826 IonicContact ND1-OE2 3.54Å; H816-E826 PolarHBondContact ND1-OE2 3.49Å
817	Q	96.7	Very high	94.3	Very high	117 Å²	117	67.1 Å²	67.1	55%	0.547	33%	0.331	S	S	.	.	H	α-helix	trans	-63.7	-41.7	177.6	-72.1	174.4	-7.5	0	0	112.2	I813 E814 Q820 R821	I813-Q817 HydrophobicContact CG2-CG 4.49Å; I813-Q817 WeakPolarHBondContact O-CG 3.41Å; I813-Q817 PolarHBondContact O-N 2.89Å; E814-Q817 PolarHBondContact O-N 3.39Å; Q817-Q820 PolarHBondContact O-N 2.97Å; Q817-R821 WeakPolarHBondContact O-CB 3.47Å; Q817-R821 PolarHBondContact O-N 3.36Å
818	F	97.7	Very high	93.9	Very high	25 Å²	25	64.3 Å²	64.3	11%	0.11	32%	0.316	C	S	.	.	H	α-helix	trans	-58.9	-49	173.8	173.7	-100.9	0	0	0	111.1	L788 Y806 L809 E814 Q820 R821 Y822 L824	L788-F818 HydrophobicContact CD2-CE2 4.31Å; L788-F818 HydrophobicContact CD2-CZ 4.23Å; Y806-F818 HydrophobicContact CD2-CD1 4.3Å; L809-F818 HydrophobicContact CD1-CB 3.52Å; L809-F818 HydrophobicContact CD1-CD1 4.26Å; L809-F818 HydrophobicContact CD1-CD2 4.45Å; L809-F818 HydrophobicContact CD1-CG 3.84Å; E814-F818 WeakPolarHBondContact O-CB 3.2Å; E814-F818 PolarHBondContact O-N 3.12Å; F818-Q820 VanDerWaalsContact C-N 3.33Å; F818-Q820 PolarHBondContact O-N 3.12Å; F818-R821 PolarHBondContact O-N 3Å; F818-Y822 AromaticContact CD2-CD2 3.52Å; F818-Y822 HydrophobicContact CD2-CD2 3.52Å; F818-Y822 AromaticContact CD2-CE2 3.59Å; F818-Y822 HydrophobicContact CD2-CE2 3.59Å; F818-Y822 AromaticContact CE2-CD2 3.4Å; F818-Y822 HydrophobicContact CE2-CD2 3.4Å; F818-Y822 AromaticContact CE2-CE2 3.46Å; F818-Y822 HydrophobicContact CE2-CE2 3.46Å; F818-Y822 VanDerWaalsContact CE2-CE2 3.46Å; F818-Y822 HydrophobicContact CE2-CG 4.41Å; F818-Y822 HydrophobicContact CG-CD2 4.25Å; F818-Y822 HydrophobicContact CZ-CD2 4.05Å; F818-Y822 HydrophobicContact CZ-CE2 4.46Å; F818-Y822 WeakPolarHBondContact O-CD2 3.45Å; F818-Y822 PolarHBondContact O-N 2.86Å; F818-Y822 VanDerWaalsContact O-N 3.11Å; F818-L824 HydrophobicContact CD1-CD1 3.93Å; F818-L824 HydrophobicContact CE1-CD1 3.34Å; F818-L824 HydrophobicContact CZ-CD1 3.9Å
819	C	95.8	Very high	93.9	Very high	4 Å²	4	61.5 Å²	61.5	3%	0.027	29%	0.288	C	S	.	.	H	α-helix	trans	-60.9	-42.1	177.6	-70.8	0	0	0	0	112.4	R815 H816 F823 L824 E826	R815-C819 WeakPolarHBondContact O-CB 3.33Å; R815-C819 PolarHBondContact O-N 2.62Å; R815-C819 PolarHBondContact O-SG 3.46Å; H816-C819 PolarHBondContact O-N 3.36Å; C819-F823 PolarHBondContact O-N 3.28Å; C819-L824 HydrophobicContact CB-CB 4.18Å; C819-L824 PolarHBondContact O-N 3.36Å; C819-E826 HydrophobicContact CB-CB 4.22Å
820	Q	92.6	Very high	93.6	Very high	124 Å²	124	63.2 Å²	63.2	58%	0.579	29%	0.293	S	S	*	.	H	α-helix	trans	-62.9	-46.3	176	-73.8	-175.2	-5.9	0	0	112.4	H816 Q817 F818 Y822 F823	H816-Q820 PolarHBondContact CD2-NE2 3.27Å; H816-Q820 PolarHBondContact NE2-NE2 3.39Å; H816-Q820 WeakPolarHBondContact O-CG 3.34Å; H816-Q820 PolarHBondContact O-N 3.09Å; Q817-Q820 PolarHBondContact O-N 2.97Å; F818-Q820 VanDerWaalsContact C-N 3.33Å; F818-Q820 PolarHBondContact O-N 3.12Å; Q820-Y822 VanDerWaalsContact C-N 3.33Å; Q820-Y822 PolarHBondContact O-N 3.43Å; Q820-F823 PolarHBondContact O-N 2.96Å
821	R	95.2	Very high	93.4	Very high	146 Å²	146	57.2 Å²	57.2	55%	0.551	26%	0.261	S	S	*	.	H	α-helix	trans	-59.3	-41.6	-179.4	174.8	175.8	170.6	170	-4.9	112.4	E787 Q817 F818	E787-R821 IonicContact OE1-CZ 2.94Å; E787-R821 IonicContact OE1-NH2 3.82Å; E787-R821 PolarHBondContact OE1-NH2 2.77Å; Q817-R821 WeakPolarHBondContact O-CB 3.47Å; Q817-R821 PolarHBondContact O-N 3.36Å; F818-R821 PolarHBondContact O-N 3Å
822	Y	95.8	Very high	93.3	Very high	22 Å²	22	55.3 Å²	55.3	9%	0.086	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	14.2	-173.4	-67.9	-76.1	0	0	0	114.2	F771 C784 E787 L788 F818 Q820 L824	F771-Y822 WeakPolarHBondContact CD1-O 3.14Å; F771-Y822 WeakPolarHBondContact CE1-O 3.23Å; C784-Y822 HydrophobicContact CB-CD1 3.88Å; E787-Y822 HydrophobicContact CB-CE1 4.48Å; E787-Y822 HydrophobicContact CG-CE1 4.36Å; E787-Y822 PolarHBondContact OE1-OH 2.93Å; L788-Y822 HydrophobicContact CD1-CD1 3.53Å; L788-Y822 HydrophobicContact CD1-CE1 4.27Å; L788-Y822 HydrophobicContact CD1-CG 3.78Å; L788-Y822 HydrophobicContact CD2-CD1 3.97Å; L788-Y822 HydrophobicContact CD2-CD2 4.43Å; L788-Y822 HydrophobicContact CD2-CE1 3.96Å; L788-Y822 HydrophobicContact CD2-CE2 4.4Å; L788-Y822 HydrophobicContact CD2-CG 4.24Å; L788-Y822 HydrophobicContact CG-CD1 3.53Å; L788-Y822 HydrophobicContact CG-CE1 3.74Å; L788-Y822 HydrophobicContact CG-CG 4.12Å; F818-Y822 AromaticContact CD2-CD2 3.52Å; F818-Y822 HydrophobicContact CD2-CD2 3.52Å; F818-Y822 AromaticContact CD2-CE2 3.59Å; F818-Y822 HydrophobicContact CD2-CE2 3.59Å; F818-Y822 AromaticContact CE2-CD2 3.4Å; F818-Y822 HydrophobicContact CE2-CD2 3.4Å; F818-Y822 AromaticContact CE2-CE2 3.46Å; F818-Y822 HydrophobicContact CE2-CE2 3.46Å; F818-Y822 VanDerWaalsContact CE2-CE2 3.46Å; F818-Y822 HydrophobicContact CE2-CG 4.41Å; F818-Y822 HydrophobicContact CG-CD2 4.25Å; F818-Y822 HydrophobicContact CZ-CD2 4.05Å; F818-Y822 HydrophobicContact CZ-CE2 4.46Å; F818-Y822 WeakPolarHBondContact O-CD2 3.45Å; F818-Y822 PolarHBondContact O-N 2.86Å; F818-Y822 VanDerWaalsContact O-N 3.11Å; Q820-Y822 VanDerWaalsContact C-N 3.33Å; Q820-Y822 PolarHBondContact O-N 3.43Å; Y822-L824 VanDerWaalsContact C-N 3.27Å; Y822-L824 PolarHBondContact O-N 3.29Å
823	F	93.2	Very high	93.3	Very high	23 Å²	23	52.3 Å²	52.3	10%	0.101	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	38.8	-179	-57.2	-87.5	0	0	0	113.1	F771 E772 P774 K777 E780 A781 C784 C819 Q820	F771-F823 CarbonylContact C-O 3.57Å; F771-F823 WeakPolarHBondContact CA-O 3.47Å; E772-F823 PolarHBondContact N-O 2.99Å; P774-F823 HydrophobicContact CG-CD1 4.37Å; P774-F823 HydrophobicContact CG-CE1 4.44Å; K777-F823 HydrophobicContact CB-CE1 3.82Å; K777-F823 HydrophobicContact CB-CZ 4.05Å; K777-F823 HydrophobicContact CD-CE1 3.57Å; K777-F823 HydrophobicContact CD-CZ 3.9Å; K777-F823 HydrophobicContact CG-CE1 4.36Å; E780-F823 HydrophobicContact CB-CE2 4.24Å; E780-F823 HydrophobicContact CB-CZ 4.09Å; E780-F823 HydrophobicContact CG-CE2 3.9Å; E780-F823 HydrophobicContact CG-CZ 3.85Å; A781-F823 HydrophobicContact CB-CB 4.36Å; A781-F823 HydrophobicContact CB-CD2 3.65Å; A781-F823 HydrophobicContact CB-CE2 4.04Å; A781-F823 HydrophobicContact CB-CG 3.91Å; C784-F823 HydrophobicContact CB-CD2 4.32Å; C819-F823 PolarHBondContact O-N 3.28Å; Q820-F823 PolarHBondContact O-N 2.96Å
824	L	94	Very high	93.2	Very high	13 Å²	13	53.2 Å²	53.2	7%	0.068	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-98.8	140.4	-178.1	-55.7	166.1	0	0	0	110.6	P770 F771 V802 F818 C819 Y822 E826 I829	P770-L824 HydrophobicContact CB-CD2 4.35Å; P770-L824 HydrophobicContact CG-CD2 4.47Å; P770-L824 WeakPolarHBondContact O-CA 3.34Å; F771-L824 HydrophobicContact CD1-CD2 3.76Å; F771-L824 HydrophobicContact CD2-CD2 4.02Å; F771-L824 HydrophobicContact CE1-CD2 3.74Å; F771-L824 HydrophobicContact CE2-CD2 4.02Å; F771-L824 HydrophobicContact CG-CD2 3.91Å; F771-L824 HydrophobicContact CZ-CD2 3.88Å; V802-L824 HydrophobicContact CG1-CD1 3.84Å; V802-L824 HydrophobicContact CG1-CD2 4.02Å; V802-L824 HydrophobicContact CG2-CD1 4.22Å; V802-L824 HydrophobicContact CG2-CD2 4.01Å; F818-L824 HydrophobicContact CD1-CD1 3.93Å; F818-L824 HydrophobicContact CE1-CD1 3.34Å; F818-L824 HydrophobicContact CZ-CD1 3.9Å; C819-L824 HydrophobicContact CB-CB 4.18Å; C819-L824 PolarHBondContact O-N 3.36Å; Y822-L824 VanDerWaalsContact C-N 3.27Å; Y822-L824 PolarHBondContact O-N 3.29Å; L824-E826 PolarHBondContact O-N 2.73Å; L824-I829 HydrophobicContact CB-CD1 3.83Å; L824-I829 HydrophobicContact CD1-CD1 4.01Å; L824-I829 HydrophobicContact CG-CD1 4.41Å
825	N	89	Confident	92.9	Very high	26 Å²	26	51.3 Å²	51.3	14%	0.139	22%	0.223	C	C	.	.			trans	-85	105.1	170.5	-172	-48.1	0	0	0	109.5	P770 E772 R827 T828 I829	P770-N825 PolarHBondContact O-N 3.5Å; E772-N825 HydrophobicContact CB-CB 4.34Å; E772-N825 PolarHBondContact OE2-ND2 3.45Å; N825-R827 PolarHBondContact O-N 3.33Å; N825-R827 VanDerWaalsContact O-N 3.17Å; N825-R827 WeakPolarHBondContact OD1-CB 3.37Å; N825-R827 PolarHBondContact OD1-N 2.84Å; N825-T828 WeakPolarHBondContact O-CB 3.34Å; N825-T828 PolarHBondContact O-N 3.24Å; N825-T828 PolarHBondContact OD1-N 2.89Å; N825-T828 VanDerWaalsContact OD1-N 3.14Å; N825-T828 PolarHBondContact OD1-OG1 3.22Å; N825-I829 PolarHBondContact O-N 2.91Å
826	E	91.2	Very high	92.8	Very high	25 Å²	25	48.2 Å²	48.2	12%	0.117	21%	0.211	C	C	.	.	H	α-helix	trans	-55.4	-35.6	-178.4	-172.6	-178.8	170.5	0	0	113.1	Y806 Q812 H816 C819 L824 I829 K830	Y806-E826 HydrophobicContact CE2-CG 3.85Å; Y806-E826 WeakPolarHBondContact OH-CG 3.24Å; Y806-E826 PolarHBondContact OH-OE1 3.48Å; Q812-E826 PolarHBondContact NE2-OE1 3.22Å; H816-E826 IonicContact ND1-OE2 3.54Å; H816-E826 PolarHBondContact ND1-OE2 3.49Å; C819-E826 HydrophobicContact CB-CB 4.22Å; L824-E826 PolarHBondContact O-N 2.73Å; E826-I829 PolarHBondContact O-N 3.2Å; E826-K830 WeakPolarHBondContact O-CG 3.41Å; E826-K830 PolarHBondContact O-N 2.92Å; E826-K830 VanDerWaalsContact OE1-CE 3.23Å; E826-K830 WeakPolarHBondContact OE1-CE 3.46Å; E826-K830 IonicContact OE1-NZ 3.94Å; E826-K830 PolarHBondContact OE1-NZ 3.33Å
827	R	84.3	Confident	92.9	Very high	87 Å²	87	47.7 Å²	47.7	33%	0.328	21%	0.211	S	C	.	.	H	α-helix	trans	-68.9	-43.3	178.2	178.1	60.8	-164.9	-163.5	7.3	110.8	P508 N825 I829 K830 D831	P508-R827 HydrophobicContact CB-CG 4.42Å; P508-R827 HydrophobicContact CG-CG 3.95Å; N825-R827 PolarHBondContact O-N 3.33Å; N825-R827 VanDerWaalsContact O-N 3.17Å; N825-R827 WeakPolarHBondContact OD1-CB 3.37Å; N825-R827 PolarHBondContact OD1-N 2.84Å; R827-I829 VanDerWaalsContact C-N 3.26Å; R827-I829 PolarHBondContact O-N 3.44Å; R827-K830 PolarHBondContact O-N 2.76Å; R827-K830 VanDerWaalsContact O-N 3.13Å; R827-D831 IonicContact CZ-OD1 3.2Å; R827-D831 IonicContact CZ-OD2 3.43Å; R827-D831 IonicContact NE-OD1 3Å; R827-D831 PolarHBondContact NE-OD1 3.46Å; R827-D831 VanDerWaalsContact NE-OD1 3.08Å; R827-D831 IonicContact NE-OD2 2.58Å; R827-D831 PolarHBondContact NE-OD2 2.95Å; R827-D831 IonicContact NH2-OD1 3.85Å; R827-D831 PolarHBondContact NH2-OD1 3.21Å; R827-D831 IonicContact NH2-OD2 3.19Å; R827-D831 PolarHBondContact O-N 3.26Å
828	T	86.3	Confident	92.6	Very high	3 Å²	3	44 Å²	44	2%	0.018	20%	0.195	C	C	.	.	H	α-helix	trans	-58.5	-40.5	174.7	-57.3	0	0	0	0	111	F767 R768 P770 N825 D831 I832	F767-T828 HydrophobicContact CE1-CG2 4.23Å; R768-T828 HydrophobicContact CB-CG2 4.29Å; P770-T828 HydrophobicContact CB-CG2 4.47Å; N825-T828 WeakPolarHBondContact O-CB 3.34Å; N825-T828 PolarHBondContact O-N 3.24Å; N825-T828 PolarHBondContact OD1-N 2.89Å; N825-T828 VanDerWaalsContact OD1-N 3.14Å; N825-T828 PolarHBondContact OD1-OG1 3.22Å; T828-D831 PolarHBondContact O-N 2.91Å; T828-I832 HydrophobicContact CG2-CD1 3.87Å; T828-I832 HydrophobicContact CG2-CG1 4.44Å; T828-I832 WeakPolarHBondContact O-CB 3.4Å; T828-I832 WeakPolarHBondContact O-CD1 3.42Å; T828-I832 VanDerWaalsContact O-CG1 3.22Å; T828-I832 WeakPolarHBondContact O-CG1 3.49Å; T828-I832 PolarHBondContact O-N 2.66Å
829	I	94.5	Very high	92.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.7	-47.2	173.4	-69.2	173.2	0	0	0	111.6	P770 V802 I803 Y806 L824 N825 E826 R827 D831 I832 I833	P770-I829 HydrophobicContact CB-CG1 4.09Å; V802-I829 HydrophobicContact CG1-CD1 3.86Å; V802-I829 HydrophobicContact CG1-CG1 4.27Å; I803-I829 HydrophobicContact CD1-CG2 3.89Å; Y806-I829 HydrophobicContact CD1-CG2 3.52Å; Y806-I829 HydrophobicContact CD2-CD1 4.11Å; Y806-I829 HydrophobicContact CD2-CG2 4.01Å; Y806-I829 HydrophobicContact CE1-CG2 3.83Å; Y806-I829 HydrophobicContact CE2-CG2 4.29Å; Y806-I829 HydrophobicContact CG-CD1 4.49Å; Y806-I829 HydrophobicContact CG-CG2 3.62Å; L824-I829 HydrophobicContact CB-CD1 3.83Å; L824-I829 HydrophobicContact CD1-CD1 4.01Å; L824-I829 HydrophobicContact CG-CD1 4.41Å; N825-I829 PolarHBondContact O-N 2.91Å; E826-I829 PolarHBondContact O-N 3.2Å; R827-I829 VanDerWaalsContact C-N 3.26Å; R827-I829 PolarHBondContact O-N 3.44Å; I829-D831 VanDerWaalsContact C-N 3.31Å; I829-D831 PolarHBondContact O-N 3.05Å; I829-I832 WeakPolarHBondContact O-CB 3.41Å; I829-I832 PolarHBondContact O-N 3.2Å; I829-I833 HydrophobicContact CG2-CD1 3.79Å; I829-I833 HydrophobicContact CG2-CG1 4.44Å; I829-I833 WeakPolarHBondContact O-CG1 3.3Å; I829-I833 PolarHBondContact O-N 2.88Å
830	K	92.4	Very high	92.5	Very high	78 Å²	78	43.1 Å²	43.1	34%	0.339	19%	0.191	S	C	.	.	H	α-helix	trans	-61	-39.5	177.1	-70.4	179.1	-177.6	178.8	0	112.4	Y806 E826 R827 I833 R834	Y806-K830 WeakPolarHBondContact OH-CE 3.45Å; E826-K830 WeakPolarHBondContact O-CG 3.41Å; E826-K830 PolarHBondContact O-N 2.92Å; E826-K830 VanDerWaalsContact OE1-CE 3.23Å; E826-K830 WeakPolarHBondContact OE1-CE 3.46Å; E826-K830 IonicContact OE1-NZ 3.94Å; E826-K830 PolarHBondContact OE1-NZ 3.33Å; R827-K830 PolarHBondContact O-N 2.76Å; R827-K830 VanDerWaalsContact O-N 3.13Å; K830-I833 PolarHBondContact O-N 2.74Å; K830-R834 PolarHBondContact O-N 3.42Å
831	D	87.6	Confident	92.5	Very high	25 Å²	25	40.4 Å²	40.4	13%	0.134	18%	0.178	C	C	.	.	H	α-helix	trans	-69.5	-36.4	176.3	-67.4	-37.3	0	0	0	111.5	F767 R827 T828 I829 R834 L835	F767-D831 HydrophobicContact CE1-CB 3.76Å; F767-D831 HydrophobicContact CZ-CB 4.12Å; R827-D831 IonicContact CZ-OD1 3.2Å; R827-D831 IonicContact CZ-OD2 3.43Å; R827-D831 IonicContact NE-OD1 3Å; R827-D831 PolarHBondContact NE-OD1 3.46Å; R827-D831 VanDerWaalsContact NE-OD1 3.08Å; R827-D831 IonicContact NE-OD2 2.58Å; R827-D831 PolarHBondContact NE-OD2 2.95Å; R827-D831 IonicContact NH2-OD1 3.85Å; R827-D831 PolarHBondContact NH2-OD1 3.21Å; R827-D831 IonicContact NH2-OD2 3.19Å; R827-D831 PolarHBondContact O-N 3.26Å; T828-D831 PolarHBondContact O-N 2.91Å; I829-D831 VanDerWaalsContact C-N 3.31Å; I829-D831 PolarHBondContact O-N 3.05Å; D831-R834 WeakPolarHBondContact O-CB 3.47Å; D831-R834 PolarHBondContact O-N 3.41Å; D831-L835 WeakPolarHBondContact O-CG 3.45Å; D831-L835 PolarHBondContact O-N 3.11Å
832	I	93.4	Very high	92.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.7	-48	171.4	-73.3	160.2	0	0	0	110.7	F767 P770 I803 T828 I829 R834 L835 M836	F767-I832 HydrophobicContact CD1-CG1 4.11Å; P770-I832 HydrophobicContact CB-CD1 3.94Å; P770-I832 HydrophobicContact CG-CD1 4.36Å; I803-I832 HydrophobicContact CD1-CB 4.29Å; I803-I832 HydrophobicContact CD1-CG2 3.67Å; I803-I832 HydrophobicContact CG1-CG2 4.14Å; T828-I832 HydrophobicContact CG2-CD1 3.87Å; T828-I832 HydrophobicContact CG2-CG1 4.44Å; T828-I832 WeakPolarHBondContact O-CB 3.4Å; T828-I832 WeakPolarHBondContact O-CD1 3.42Å; T828-I832 VanDerWaalsContact O-CG1 3.22Å; T828-I832 WeakPolarHBondContact O-CG1 3.49Å; T828-I832 PolarHBondContact O-N 2.66Å; I829-I832 WeakPolarHBondContact O-CB 3.41Å; I829-I832 PolarHBondContact O-N 3.2Å; I832-R834 VanDerWaalsContact C-N 3.26Å; I832-R834 PolarHBondContact O-N 3.35Å; I832-L835 CarbonylContact O-C 3.58Å; I832-L835 WeakPolarHBondContact O-CA 3.47Å; I832-L835 WeakPolarHBondContact O-CB 3.35Å; I832-L835 PolarHBondContact O-N 3.05Å; I832-M836 HydrophobicContact CG2-CG 4.41Å; I832-M836 HydrophobicContact CG2-SD 4.17Å; I832-M836 WeakPolarHBondContact O-CG 3.46Å; I832-M836 PolarHBondContact O-N 3.32Å
833	I	95.6	Very high	92.3	Very high	34 Å²	34	32.9 Å²	32.9	17%	0.174	15%	0.15	C	C	.	.	H	α-helix	trans	-60	-39.9	178	-68.4	162	0	0	0	110.6	I803 Y806 N807 I829 K830 M836 N837	I803-I833 HydrophobicContact CD1-CG1 4.43Å; I803-I833 HydrophobicContact CG2-CG1 4.24Å; Y806-I833 HydrophobicContact CD1-CD1 3.82Å; Y806-I833 HydrophobicContact CE1-CD1 4.01Å; N807-I833 VanDerWaalsContact OD1-CD1 3.25Å; N807-I833 WeakPolarHBondContact OD1-CD1 3.42Å; I829-I833 HydrophobicContact CG2-CD1 3.79Å; I829-I833 HydrophobicContact CG2-CG1 4.44Å; I829-I833 WeakPolarHBondContact O-CG1 3.3Å; I829-I833 PolarHBondContact O-N 2.88Å; K830-I833 PolarHBondContact O-N 2.74Å; I833-M836 WeakPolarHBondContact O-CB 3.32Å; I833-M836 PolarHBondContact O-N 2.95Å; I833-N837 PolarHBondContact O-N 2.75Å; I833-N837 VanDerWaalsContact O-N 3.14Å; I833-N837 PolarHBondContact O-ND2 2.82Å
834	R	91.8	Very high	92.3	Very high	137 Å²	137	36.6 Å²	36.6	52%	0.517	16%	0.164	S	C	.	.	H	α-helix	trans	-59.8	-46.4	173.2	-178	-178.1	172.9	174.9	2.4	111.5	K830 D831 I832 M836 N837 D838	K830-R834 PolarHBondContact O-N 3.42Å; D831-R834 WeakPolarHBondContact O-CB 3.47Å; D831-R834 PolarHBondContact O-N 3.41Å; I832-R834 VanDerWaalsContact C-N 3.26Å; I832-R834 PolarHBondContact O-N 3.35Å; R834-M836 VanDerWaalsContact C-N 3.3Å; R834-M836 PolarHBondContact O-N 2.75Å; R834-N837 WeakPolarHBondContact O-CB 3.28Å; R834-N837 PolarHBondContact O-N 2.77Å; R834-N837 VanDerWaalsContact O-N 3.15Å; R834-D838 PolarHBondContact O-N 3.23Å
835	L	91	Very high	92.1	Very high	35 Å²	35	39.2 Å²	39.2	18%	0.183	18%	0.176	C	C	.	.	H	α-helix	trans	-62	-36.1	176.6	-73.9	169.6	0	0	0	112.8	F767 D831 I832 N837 D838 Y839	F767-L835 HydrophobicContact CB-CD1 3.38Å; F767-L835 HydrophobicContact CD1-CD1 3.87Å; F767-L835 HydrophobicContact CD2-CD1 4.17Å; F767-L835 HydrophobicContact CG-CD1 3.56Å; D831-L835 WeakPolarHBondContact O-CG 3.45Å; D831-L835 PolarHBondContact O-N 3.11Å; I832-L835 CarbonylContact O-C 3.58Å; I832-L835 WeakPolarHBondContact O-CA 3.47Å; I832-L835 WeakPolarHBondContact O-CB 3.35Å; I832-L835 PolarHBondContact O-N 3.05Å; L835-N837 VanDerWaalsContact C-N 3.31Å; L835-N837 PolarHBondContact O-N 2.99Å; L835-D838 PolarHBondContact O-N 3.1Å; L835-Y839 WeakPolarHBondContact O-CB 3.09Å; L835-Y839 VanDerWaalsContact O-CG 3.25Å; L835-Y839 PolarHBondContact O-N 3.23Å
836	M	96.2	Very high	92.2	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.02	17%	0.174	C	C	.	.	H	α-helix	trans	-60.6	-42.2	173.8	-65.9	169.8	62.6	0	0	111.6	E756 L759 A760 S763 I803 I832 I833 R834 Y839 A840 P854	E756-M836 HydrophobicContact CG-CE 3.98Å; L759-M836 HydrophobicContact CB-CB 4.07Å; L759-M836 HydrophobicContact CB-CE 3.95Å; L759-M836 HydrophobicContact CB-CG 3.93Å; A760-M836 HydrophobicContact CB-CE 4.11Å; A760-M836 HydrophobicContact CB-SD 4.09Å; S763-M836 WeakPolarHBondContact OG-CG 3.39Å; I803-M836 HydrophobicContact CG1-SD 4.42Å; I803-M836 HydrophobicContact CG2-CE 3.98Å; I803-M836 HydrophobicContact CG2-SD 3.72Å; I832-M836 HydrophobicContact CG2-CG 4.41Å; I832-M836 HydrophobicContact CG2-SD 4.17Å; I832-M836 WeakPolarHBondContact O-CG 3.46Å; I832-M836 PolarHBondContact O-N 3.32Å; I833-M836 WeakPolarHBondContact O-CB 3.32Å; I833-M836 PolarHBondContact O-N 2.95Å; R834-M836 VanDerWaalsContact C-N 3.3Å; R834-M836 PolarHBondContact O-N 2.75Å; M836-Y839 PolarHBondContact O-N 2.84Å; M836-A840 WeakPolarHBondContact O-CB 3.33Å; M836-A840 PolarHBondContact O-N 3.29Å; M836-P854 HydrophobicContact CB-CG 4.41Å
837	N	95.5	Very high	92.3	Very high	73 Å²	73	43.9 Å²	43.9	39%	0.39	19%	0.19	S	C	.	.	H	α-helix	trans	-64.4	-43.1	174.7	-69.8	-71.8	0	0	0	111.4	I833 R834 L835 Y839 A840 Q841 P854	I833-N837 PolarHBondContact O-N 2.75Å; I833-N837 VanDerWaalsContact O-N 3.14Å; I833-N837 PolarHBondContact O-ND2 2.82Å; R834-N837 WeakPolarHBondContact O-CB 3.28Å; R834-N837 PolarHBondContact O-N 2.77Å; R834-N837 VanDerWaalsContact O-N 3.15Å; L835-N837 VanDerWaalsContact C-N 3.31Å; L835-N837 PolarHBondContact O-N 2.99Å; N837-Y839 VanDerWaalsContact C-N 3.3Å; N837-Y839 PolarHBondContact O-N 3.28Å; N837-A840 PolarHBondContact O-N 3.5Å; N837-Q841 WeakPolarHBondContact O-CB 3.24Å; N837-Q841 PolarHBondContact O-N 3.44Å; N837-P854 VanDerWaalsContact OD1-CD 3.29Å; N837-P854 WeakPolarHBondContact OD1-CD 3.37Å; N837-P854 WeakPolarHBondContact OD1-CG 3.47Å
838	D	91	Very high	92.8	Very high	39 Å²	39	39.8 Å²	39.8	21%	0.209	18%	0.175	C	C	.	.	H	α-helix	trans	-61.5	-38.7	176.9	-66.8	-17.2	0	0	0	111.7	L263 R834 L835 Q841 L842	L263-D838 HydrophobicContact CD1-CB 3.77Å; R834-D838 PolarHBondContact O-N 3.23Å; L835-D838 PolarHBondContact O-N 3.1Å; D838-Q841 WeakPolarHBondContact O-CB 3.35Å; D838-L842 WeakPolarHBondContact O-CG 3.32Å; D838-L842 PolarHBondContact O-N 2.8Å; D838-L842 VanDerWaalsContact O-N 3.12Å
839	Y	95.1	Very high	93.3	Very high	12 Å²	12	39.8 Å²	39.8	5%	0.047	18%	0.175	C	C	.	.	H	α-helix	trans	-74.3	-36.9	177.3	-66.7	-11	0	0	0	112.9	P737 L738 L746 S763 T766 L835 M836 N837 Q841 L842 L843	P737-Y839 HydrophobicContact CG-CE1 4.29Å; L738-Y839 HydrophobicContact CD1-CE1 4.42Å; L738-Y839 HydrophobicContact CD1-CE2 4.36Å; L738-Y839 HydrophobicContact CD2-CD1 4.43Å; L738-Y839 HydrophobicContact CD2-CE1 3.53Å; L738-Y839 HydrophobicContact CD2-CE2 3.93Å; L738-Y839 WeakPolarHBondContact CD2-OH 3.27Å; L738-Y839 HydrophobicContact CG-CE1 4.45Å; L746-Y839 HydrophobicContact CD1-CD2 4.06Å; L746-Y839 HydrophobicContact CD1-CG 3.95Å; L746-Y839 HydrophobicContact CD2-CD2 4.48Å; S763-Y839 WeakPolarHBondContact OG-CE2 2.89Å; T766-Y839 PolarHBondContact OG1-OH 3.03Å; L835-Y839 WeakPolarHBondContact O-CB 3.09Å; L835-Y839 VanDerWaalsContact O-CG 3.25Å; L835-Y839 PolarHBondContact O-N 3.23Å; M836-Y839 PolarHBondContact O-N 2.84Å; N837-Y839 VanDerWaalsContact C-N 3.3Å; N837-Y839 PolarHBondContact O-N 3.28Å; Y839-Q841 VanDerWaalsContact C-N 3.33Å; Y839-L842 HydrophobicContact CD1-CD1 4.2Å; Y839-L842 PolarHBondContact O-N 2.78Å; Y839-L843 PolarHBondContact O-N 3.39Å
840	A	96.2	Very high	93.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.3	-44	171.1	0	0	0	0	0	110.6	L759 M836 N837 L842 L843 Y844 I849 P852 P854	L759-A840 HydrophobicContact CD1-CB 4.13Å; M836-A840 WeakPolarHBondContact O-CB 3.33Å; M836-A840 PolarHBondContact O-N 3.29Å; N837-A840 PolarHBondContact O-N 3.5Å; A840-L842 VanDerWaalsContact C-N 3.31Å; A840-L842 PolarHBondContact O-N 2.85Å; A840-L843 PolarHBondContact O-N 2.78Å; A840-L843 VanDerWaalsContact O-N 3.17Å; A840-Y844 WeakPolarHBondContact O-CB 3.34Å; A840-Y844 PolarHBondContact O-N 2.85Å; A840-I849 HydrophobicContact CB-CD1 4.15Å; A840-I849 VanDerWaalsContact O-CD1 3.27Å; A840-I849 WeakPolarHBondContact O-CD1 3.38Å; A840-P852 WeakPolarHBondContact CB-O 3.45Å; A840-P854 HydrophobicContact CB-CG 4Å
841	Q	93.7	Very high	93.4	Very high	67 Å²	67	41 Å²	41	31%	0.313	19%	0.194	S	C	.	.	H	α-helix	trans	-56	-44.4	173.4	-179.5	63.7	34.8	0	0	111.8	N837 D838 Y839 L843 Y844 E845	N837-Q841 WeakPolarHBondContact O-CB 3.24Å; N837-Q841 PolarHBondContact O-N 3.44Å; D838-Q841 WeakPolarHBondContact O-CB 3.35Å; Y839-Q841 VanDerWaalsContact C-N 3.33Å; Q841-L843 PolarHBondContact O-N 3.37Å; Q841-Y844 PolarHBondContact O-N 3.27Å; Q841-E845 WeakPolarHBondContact CG-OE1 3.4Å; Q841-E845 PolarHBondContact NE2-OE1 2.84Å; Q841-E845 WeakPolarHBondContact O-CG 3.33Å; Q841-E845 PolarHBondContact O-N 3.41Å
842	L	91	Very high	93.7	Very high	9 Å²	9	42.1 Å²	42.1	5%	0.047	20%	0.203	C	C	.	.	H	α-helix	trans	-65	-35.8	177.6	-71.9	171.1	0	0	0	113.8	L263 F736 P737 D838 Y839 A840 R846	L263-L842 HydrophobicContact CD2-CD2 4.21Å; L263-L842 HydrophobicContact CD2-CG 4.41Å; F736-L842 HydrophobicContact CE1-CB 4.19Å; P737-L842 HydrophobicContact CG-CD1 3.39Å; D838-L842 WeakPolarHBondContact O-CG 3.32Å; D838-L842 PolarHBondContact O-N 2.8Å; D838-L842 VanDerWaalsContact O-N 3.12Å; Y839-L842 HydrophobicContact CD1-CD1 4.2Å; Y839-L842 PolarHBondContact O-N 2.78Å; A840-L842 VanDerWaalsContact C-N 3.31Å; A840-L842 PolarHBondContact O-N 2.85Å; L842-R846 WeakPolarHBondContact O-CB 3.48Å; L842-R846 WeakPolarHBondContact O-CD 3.26Å; L842-R846 WeakPolarHBondContact O-CG 3.47Å; L842-R846 PolarHBondContact O-N 3.15Å; L842-R846 PolarHBondContact O-NH1 3.32Å; L842-R846 VanDerWaalsContact O-NH1 3.07Å
843	L	95.1	Very high	93.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-71	-37.4	175.2	-74.9	167.5	0	0	0	111.5	F736 L746 A750 L755 L759 Y839 A840 Q841 R846 R847 Y848 I849	F736-L843 HydrophobicContact CE1-CD2 4.34Å; F736-L843 HydrophobicContact CZ-CD2 3.87Å; L746-L843 HydrophobicContact CB-CD1 4.26Å; L746-L843 HydrophobicContact CB-CD2 4.33Å; A750-L843 HydrophobicContact CB-CD1 4.4Å; A750-L843 HydrophobicContact CB-CD2 4.41Å; L755-L843 HydrophobicContact CD1-CD1 3.53Å; L759-L843 HydrophobicContact CD2-CD1 4.46Å; Y839-L843 PolarHBondContact O-N 3.39Å; A840-L843 PolarHBondContact O-N 2.78Å; A840-L843 VanDerWaalsContact O-N 3.17Å; Q841-L843 PolarHBondContact O-N 3.37Å; L843-R846 CarbonylContact O-C 3.55Å; L843-R846 PolarHBondContact O-N 3.01Å; L843-R847 PolarHBondContact O-N 2.82Å; L843-Y848 HydrophobicContact CD2-CD2 4.05Å; L843-Y848 HydrophobicContact CD2-CG 4.27Å; L843-Y848 PolarHBondContact O-N 3.13Å; L843-I849 HydrophobicContact CB-CD1 3.98Å; L843-I849 HydrophobicContact CB-CG1 4.02Å; L843-I849 HydrophobicContact CB-CG2 4.41Å
844	Y	94.5	Very high	93.8	Very high	102 Å²	102	47.2 Å²	47.2	40%	0.4	23%	0.225	S	C	.	.	H	α-helix	trans	-65.8	-47	176	170.6	-106.6	0	0	0	111.5	A840 Q841 R846 R847 A850 P852	A840-Y844 WeakPolarHBondContact O-CB 3.34Å; A840-Y844 PolarHBondContact O-N 2.85Å; Q841-Y844 PolarHBondContact O-N 3.27Å; Y844-R846 PolarHBondContact O-N 2.91Å; Y844-R847 WeakPolarHBondContact O-CA 3.35Å; Y844-R847 PolarHBondContact O-N 3.16Å; Y844-A850 VanDerWaalsContact CE2-O 3.26Å; Y844-A850 WeakPolarHBondContact CE2-O 3.24Å; Y844-P852 HydrophobicContact CD1-CB 3.88Å; Y844-P852 HydrophobicContact CD1-CG 4.31Å; Y844-P852 HydrophobicContact CG-CB 3.95Å; Y844-P852 HydrophobicContact CG-CG 4.5Å
845	E	89.3	Confident	93.9	Very high	67 Å²	67	45.5 Å²	45.5	31%	0.313	23%	0.226	S	C	.	.	H	α-helix	trans	-58.1	-33.5	174.2	-73.7	166.9	-175.1	0	0	112.1	Q841 R847	Q841-E845 WeakPolarHBondContact CG-OE1 3.4Å; Q841-E845 PolarHBondContact NE2-OE1 2.84Å; Q841-E845 WeakPolarHBondContact O-CG 3.33Å; Q841-E845 PolarHBondContact O-N 3.41Å; E845-R847 VanDerWaalsContact C-N 3.32Å
846	R	90	Very high	93.9	Very high	30 Å²	30	44.5 Å²	44.5	11%	0.113	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	7	174.4	-71.3	168.2	-179.5	65.1	4.8	113.8	N735 L842 L843 Y844 Y848 P1007	N735-R846 PolarHBondContact O-NH2 2.95Å; L842-R846 WeakPolarHBondContact O-CB 3.48Å; L842-R846 WeakPolarHBondContact O-CD 3.26Å; L842-R846 WeakPolarHBondContact O-CG 3.47Å; L842-R846 PolarHBondContact O-N 3.15Å; L842-R846 PolarHBondContact O-NH1 3.32Å; L842-R846 VanDerWaalsContact O-NH1 3.07Å; L843-R846 CarbonylContact O-C 3.55Å; L843-R846 PolarHBondContact O-N 3.01Å; Y844-R846 PolarHBondContact O-N 2.91Å; R846-Y848 HydrophobicContact CB-CD2 3.78Å; R846-Y848 HydrophobicContact CB-CE2 4.06Å; R846-Y848 PolarHBondContact O-N 3.43Å; R846-P1007 WeakPolarHBondContact O-CB 3.32Å
847	R	94.1	Very high	93.8	Very high	119 Å²	119	49.4 Å²	49.4	45%	0.449	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	19	175	-49.7	177.5	-178.2	-173.5	-4.3	115.9	G128 L843 Y844 E845 I849 P1007 S1008 V1009	G128-R847 VanDerWaalsContact C-NH2 3.31Å; L843-R847 PolarHBondContact O-N 2.82Å; Y844-R847 WeakPolarHBondContact O-CA 3.35Å; Y844-R847 PolarHBondContact O-N 3.16Å; E845-R847 VanDerWaalsContact C-N 3.32Å; R847-I849 VanDerWaalsContact C-N 3.34Å; R847-P1007 HydrophobicContact CB-CB 4.41Å; R847-S1008 CarbonylContact O-C 3.42Å; R847-S1008 VanDerWaalsContact O-CA 3.28Å; R847-S1008 WeakPolarHBondContact O-CA 3.4Å; R847-V1009 PolarHBondContact O-N 3.07Å; R847-V1009 VanDerWaalsContact O-N 3.12Å
848	Y	94.9	Very high	93.6	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.008	25%	0.253	C	S	.	.	S	Bend	trans	-76.5	-23.6	173.3	-76.2	-71.8	0	0	0	112.6	H732 I747 L751 L843 R846 P1007	H732-Y848 PolarHBondContact CD2-OH 3.17Å; H732-Y848 AromaticContact CE1-CE2 3.88Å; H732-Y848 PolarHBondContact CE1-OH 2.81Å; H732-Y848 AromaticContact ND1-CE2 3.75Å; H732-Y848 PolarHBondContact NE2-OH 3.36Å; H732-Y848 VanDerWaalsContact NE2-OH 3.17Å; I747-Y848 HydrophobicContact CG1-CE2 4.25Å; I747-Y848 HydrophobicContact CG2-CD1 4.27Å; I747-Y848 HydrophobicContact CG2-CE1 3.71Å; I747-Y848 HydrophobicContact CG2-CE2 4.49Å; L751-Y848 HydrophobicContact CD1-CE1 4.43Å; L751-Y848 HydrophobicContact CD2-CD1 4.02Å; L751-Y848 HydrophobicContact CD2-CE1 4.27Å; L751-Y848 HydrophobicContact CG-CD1 4.26Å; L751-Y848 HydrophobicContact CG-CE1 4.42Å; L843-Y848 HydrophobicContact CD2-CD2 4.05Å; L843-Y848 HydrophobicContact CD2-CG 4.27Å; L843-Y848 PolarHBondContact O-N 3.13Å; R846-Y848 HydrophobicContact CB-CD2 3.78Å; R846-Y848 HydrophobicContact CB-CE2 4.06Å; R846-Y848 PolarHBondContact O-N 3.43Å; Y848-P1007 HydrophobicContact CE1-CB 4.36Å; Y848-P1007 HydrophobicContact CE2-CB 4.23Å; Y848-P1007 HydrophobicContact CE2-CG 4.4Å
849	I	96	Very high	93.7	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.015	24%	0.244	C	C	.	.	S	Bend	trans	-132.3	154.3	179.4	65	175.4	0	0	0	110.6	A750 L755 A840 L843 R847 T851 A859	A750-I849 HydrophobicContact CB-CG2 3.77Å; L755-I849 HydrophobicContact CD2-CD1 4.08Å; L755-I849 HydrophobicContact CD2-CG2 4.01Å; A840-I849 HydrophobicContact CB-CD1 4.15Å; A840-I849 VanDerWaalsContact O-CD1 3.27Å; A840-I849 WeakPolarHBondContact O-CD1 3.38Å; L843-I849 HydrophobicContact CB-CD1 3.98Å; L843-I849 HydrophobicContact CB-CG1 4.02Å; L843-I849 HydrophobicContact CB-CG2 4.41Å; R847-I849 VanDerWaalsContact C-N 3.34Å; I849-T851 WeakPolarHBondContact CD1-O 3.44Å; I849-T851 VanDerWaalsContact CG1-O 3.27Å; I849-T851 WeakPolarHBondContact CG1-O 3.26Å; I849-A859 HydrophobicContact CB-CB 4.45Å; I849-A859 HydrophobicContact CG2-CB 3.84Å
850	A	94.7	Very high	93.8	Very high	54 Å²	54	47.1 Å²	47.1	45%	0.446	25%	0.245	S	C	.	.	S	Bend	trans	-82.2	-27.1	-172.5	0	0	0	0	0	113.5	Y844 V1009	Y844-A850 VanDerWaalsContact CE2-O 3.26Å; Y844-A850 WeakPolarHBondContact CE2-O 3.24Å; A850-V1009 HydrophobicContact CB-CG2 4.14Å
851	T	95.6	Very high	93.8	Very high	49 Å²	49	50.1 Å²	50.1	30%	0.301	27%	0.265	S	S	.	.	S	Bend	trans	-130.9	153.5	177	68.7	0	0	0	0	110	I849 K853 D856	I849-T851 WeakPolarHBondContact CD1-O 3.44Å; I849-T851 VanDerWaalsContact CG1-O 3.27Å; I849-T851 WeakPolarHBondContact CG1-O 3.26Å; T851-K853 PolarHBondContact O-N 3.48Å; T851-D856 WeakPolarHBondContact CB-OD1 3.45Å; T851-D856 PolarHBondContact N-OD1 2.96Å; T851-D856 PolarHBondContact OG1-OD1 3.3Å
852	P	93.8	Very high	93.9	Very high	49 Å²	49	48.1 Å²	48.1	32%	0.318	26%	0.257	S	S	.	.	S	Bend	trans	-74.4	18	178.1	32	-36.9	0	0	0	113.5	A840 Y844	A840-P852 WeakPolarHBondContact CB-O 3.45Å; Y844-P852 HydrophobicContact CD1-CB 3.88Å; Y844-P852 HydrophobicContact CD1-CG 4.31Å; Y844-P852 HydrophobicContact CG-CB 3.95Å; Y844-P852 HydrophobicContact CG-CG 4.5Å
853	K	94.8	Very high	94	Very high	128 Å²	128	49.5 Å²	49.5	56%	0.557	26%	0.263	S	S	*	.			trans	-98.3	134.2	-173.3	-64.8	-173.9	176.5	-178.1	0	111.3	T851 D855 D856	T851-K853 PolarHBondContact O-N 3.48Å; K853-D855 VanDerWaalsContact CB-OD1 3.31Å; K853-D855 WeakPolarHBondContact CB-OD1 3.27Å; K853-D855 PolarHBondContact O-N 3.32Å; K853-D856 PolarHBondContact O-N 3.18Å
854	P	95.6	Very high	93.9	Very high	13 Å²	13	56.6 Å²	56.6	8%	0.084	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-29.1	173.6	-28.5	37.1	0	0	0	114.8	L759 M836 N837 A840 N860	L759-P854 HydrophobicContact CD1-CB 3.66Å; L759-P854 HydrophobicContact CD1-CG 4.21Å; M836-P854 HydrophobicContact CB-CG 4.41Å; N837-P854 VanDerWaalsContact OD1-CD 3.29Å; N837-P854 WeakPolarHBondContact OD1-CD 3.37Å; N837-P854 WeakPolarHBondContact OD1-CG 3.47Å; A840-P854 HydrophobicContact CB-CG 4Å; P854-N860 PolarHBondContact O-ND2 3.34Å
855	D	93.3	Very high	93.9	Very high	100 Å²	100	53.7 Å²	53.7	54%	0.535	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	18.6	-176.4	65.2	-18.7	0	0	0	113.6	K853 S857	K853-D855 VanDerWaalsContact CB-OD1 3.31Å; K853-D855 WeakPolarHBondContact CB-OD1 3.27Å; K853-D855 PolarHBondContact O-N 3.32Å; D855-S857 PolarHBondContact O-N 3.01Å
856	D	92.1	Very high	94.1	Very high	15 Å²	15	52.7 Å²	52.7	8%	0.08	28%	0.278	C	S	.	.			trans	-52.3	122.2	174.7	-177	104.8	0	0	0	111	T851 K853 N858 A859 N860	T851-D856 WeakPolarHBondContact CB-OD1 3.45Å; T851-D856 PolarHBondContact N-OD1 2.96Å; T851-D856 PolarHBondContact OG1-OD1 3.3Å; K853-D856 PolarHBondContact O-N 3.18Å; D856-N858 VanDerWaalsContact C-N 3.34Å; D856-N858 PolarHBondContact O-N 2.81Å; D856-N858 PolarHBondContact OD2-N 2.98Å; D856-A859 HydrophobicContact CB-CB 4.07Å; D856-A859 PolarHBondContact O-N 2.81Å; D856-A859 PolarHBondContact OD2-N 3.42Å; D856-N860 VanDerWaalsContact O-CB 3.31Å; D856-N860 WeakPolarHBondContact O-CB 3.37Å; D856-N860 PolarHBondContact O-N 3.37Å; D856-N860 VanDerWaalsContact O-N 3.1Å; D856-N860 PolarHBondContact O-ND2 2.93Å
857	S	92.8	Very high	94.2	Very high	107 Å²	107	52.7 Å²	52.7	75%	0.748	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-34.1	-170.6	-52.2	0	0	0	0	113.4	D855 N860 C861	D855-S857 PolarHBondContact O-N 3.01Å; S857-N860 PolarHBondContact O-N 3.31Å; S857-C861 PolarHBondContact O-N 3.44Å
858	N	91.5	Very high	94.3	Very high	61 Å²	61	47.1 Å²	47.1	33%	0.326	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-39.6	178.3	-175	62.6	0	0	0	110.8	D856 N860 V1009 A1010	D856-N858 VanDerWaalsContact C-N 3.34Å; D856-N858 PolarHBondContact O-N 2.81Å; D856-N858 PolarHBondContact OD2-N 2.98Å; N858-N860 PolarHBondContact O-N 2.77Å; N858-V1009 WeakPolarHBondContact ND2-CG1 3.4Å; N858-A1010 PolarHBondContact ND2-O 2.86Å; N858-A1010 VanDerWaalsContact ND2-O 3.1Å
859	A	94.6	Very high	94.4	Very high	4 Å²	4	47 Å²	47	3%	0.033	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-4.6	176.2	0	0	0	0	0	113.8	G753 C754 L755 I849 D856	G753-A859 CarbonylContact C-O 3.49Å; G753-A859 WeakPolarHBondContact CA-O 3.39Å; C754-A859 PolarHBondContact N-O 3.47Å; L755-A859 HydrophobicContact CB-CB 3.83Å; L755-A859 WeakPolarHBondContact CB-O 3.44Å; L755-A859 HydrophobicContact CD2-CB 3.62Å; L755-A859 HydrophobicContact CG-CB 4.32Å; L755-A859 PolarHBondContact N-O 2.96Å; I849-A859 HydrophobicContact CB-CB 4.45Å; I849-A859 HydrophobicContact CG2-CB 3.84Å; D856-A859 HydrophobicContact CB-CB 4.07Å; D856-A859 PolarHBondContact O-N 2.81Å; D856-A859 PolarHBondContact OD2-N 3.42Å
860	N	96.6	Very high	94.4	Very high	10 Å²	10	47.5 Å²	47.5	5%	0.053	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	14.5	-177.9	-76.9	-60.3	0	0	0	114.6	G753 L755 E756 P854 D856 S857 N858 N862 Q863	G753-N860 CarbonylContact O-C 3.46Å; G753-N860 VanDerWaalsContact O-CA 3.26Å; G753-N860 WeakPolarHBondContact O-CA 3.3Å; L755-N860 PolarHBondContact N-OD1 3.46Å; E756-N860 WeakPolarHBondContact CB-OD1 3.26Å; E756-N860 PolarHBondContact N-OD1 3.17Å; P854-N860 PolarHBondContact O-ND2 3.34Å; D856-N860 VanDerWaalsContact O-CB 3.31Å; D856-N860 WeakPolarHBondContact O-CB 3.37Å; D856-N860 PolarHBondContact O-N 3.37Å; D856-N860 VanDerWaalsContact O-N 3.1Å; D856-N860 PolarHBondContact O-ND2 2.93Å; S857-N860 PolarHBondContact O-N 3.31Å; N858-N860 PolarHBondContact O-N 2.77Å; N860-N862 PolarHBondContact O-N 3.39Å; N860-Q863 HydrophobicContact CB-CB 4.15Å; N860-Q863 WeakPolarHBondContact O-CB 3.18Å; N860-Q863 WeakPolarHBondContact O-CG 3.47Å; N860-Q863 PolarHBondContact O-N 3.34Å
861	C	95.4	Very high	94.4	Very high	64 Å²	64	45 Å²	45	43%	0.432	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-23.3	-179.2	63.4	0	0	0	0	114.1	G753 S857	G753-C861 PolarHBondContact O-N 3.03Å; S857-C861 PolarHBondContact O-N 3.44Å
862	N	95.7	Very high	94.5	Very high	25 Å²	25	42.7 Å²	42.7	13%	0.134	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	17.7	178.2	-62.2	-54.7	0	0	0	113.8	F752 G753 N860 W864 N865 L868 W1012	F752-N862 PolarHBondContact O-ND2 3.33Å; G753-N862 CarbonylContact O-C 3.34Å; G753-N862 WeakPolarHBondContact O-CA 3.43Å; G753-N862 WeakPolarHBondContact O-CB 3.49Å; G753-N862 PolarHBondContact O-N 3.02Å; N860-N862 PolarHBondContact O-N 3.39Å; N862-W864 PolarHBondContact O-N 3.4Å; N862-N865 HydrophobicContact CB-CB 4.41Å; N862-N865 WeakPolarHBondContact O-CB 3.46Å; N862-N865 PolarHBondContact O-N 3.06Å; N862-L868 HydrophobicContact CB-CD2 3.55Å; N862-W1012 VanDerWaalsContact ND2-CH2 3.31Å; N862-W1012 WeakPolarHBondContact ND2-CH2 3.49Å
863	Q	94.4	Very high	94.6	Very high	38 Å²	38	40.3 Å²	40.3	18%	0.178	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-29.4	-172.6	69.9	-177.7	13.9	0	0	114.6	G753 P757 N860	G753-Q863 PolarHBondContact O-N 2.95Å; P757-Q863 HydrophobicContact CG-CB 4.17Å; N860-Q863 HydrophobicContact CB-CB 4.15Å; N860-Q863 WeakPolarHBondContact O-CB 3.18Å; N860-Q863 WeakPolarHBondContact O-CG 3.47Å; N860-Q863 PolarHBondContact O-N 3.34Å
864	W	91.7	Very high	94.7	Very high	148 Å²	148	34.2 Å²	34.2	56%	0.561	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-3	-179.8	-56.4	120.8	0	0	0	114.2	Q804 N862 I866	Q804-W864 HydrophobicContact CG-CH2 3.87Å; Q804-W864 HydrophobicContact CG-CZ3 4.2Å; Q804-W864 VanDerWaalsContact OE1-CZ3 3.31Å; N862-W864 PolarHBondContact O-N 3.4Å; W864-I866 PolarHBondContact O-N 3.07Å; W864-I866 VanDerWaalsContact O-N 3.11Å
865	N	94.4	Very high	94.6	Very high	41 Å²	41	33.7 Å²	33.7	22%	0.219	18%	0.18	C	C	.	.			trans	-84.9	89.4	-175.1	-167.4	-28.1	0	0	0	111.3	N862 N867 L868 F869 T1030	N862-N865 HydrophobicContact CB-CB 4.41Å; N862-N865 WeakPolarHBondContact O-CB 3.46Å; N862-N865 PolarHBondContact O-N 3.06Å; N865-N867 VanDerWaalsContact C-N 3.26Å; N865-N867 PolarHBondContact O-N 3.42Å; N865-N867 PolarHBondContact OD1-N 3.15Å; N865-L868 HydrophobicContact CB-CB 3.9Å; N865-L868 PolarHBondContact O-N 3.37Å; N865-L868 PolarHBondContact OD1-N 2.92Å; N865-F869 PolarHBondContact O-N 3.3Å; N865-T1030 WeakPolarHBondContact ND2-CG2 3.2Å; N865-T1030 WeakPolarHBondContact OD1-CG2 3.05Å
866	I	93.4	Very high	94.8	Very high	47 Å²	47	28.9 Å²	28.9	24%	0.241	15%	0.154	C	C	.	.	H	α-helix	trans	-58.7	-33.8	-179.8	-171.2	170.1	0	0	0	113.7	S792 W797 W864 F869 R870	S792-I866 VanDerWaalsContact CB-CD1 3.41Å; W797-I866 HydrophobicContact CD2-CD1 4.32Å; W797-I866 HydrophobicContact CD2-CG1 4.29Å; W797-I866 HydrophobicContact CE3-CG1 4.36Å; W797-I866 HydrophobicContact CG-CD1 4.44Å; W797-I866 HydrophobicContact CH2-CB 4.43Å; W864-I866 PolarHBondContact O-N 3.07Å; W864-I866 VanDerWaalsContact O-N 3.11Å; I866-F869 WeakPolarHBondContact O-CB 3.29Å; I866-F869 PolarHBondContact O-N 3.44Å; I866-R870 WeakPolarHBondContact O-CG 3.34Å; I866-R870 PolarHBondContact O-N 3.34Å
867	N	93.9	Very high	94.9	Very high	30 Å²	30	28.2 Å²	28.2	16%	0.16	15%	0.151	C	C	.	.	H	α-helix	trans	-72.3	-39.6	179.4	-73	-16.3	0	0	0	110.9	N865 R870 A871 T1030	N865-N867 VanDerWaalsContact C-N 3.26Å; N865-N867 PolarHBondContact O-N 3.42Å; N865-N867 PolarHBondContact OD1-N 3.15Å; N867-R870 PolarHBondContact O-N 3.44Å; N867-R870 PolarHBondContact OD1-NH1 3.19Å; N867-A871 PolarHBondContact O-N 2.85Å; N867-T1030 HydrophobicContact CB-CG2 4.21Å; N867-T1030 PolarHBondContact ND2-O 3.49Å
868	L	95.3	Very high	94.9	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-65	-42.5	171.8	-176.1	61.5	0	0	0	111.2	F752 N862 N865 R870 A871 I872 V1026 L1029 T1030	F752-L868 HydrophobicContact CB-CD2 4.34Å; F752-L868 HydrophobicContact CD1-CD1 4.19Å; N862-L868 HydrophobicContact CB-CD2 3.55Å; N865-L868 HydrophobicContact CB-CB 3.9Å; N865-L868 PolarHBondContact O-N 3.37Å; N865-L868 PolarHBondContact OD1-N 2.92Å; L868-R870 VanDerWaalsContact C-N 3.33Å; L868-R870 PolarHBondContact O-N 2.93Å; L868-A871 CarbonylContact O-C 3.44Å; L868-A871 WeakPolarHBondContact O-CA 3.27Å; L868-A871 WeakPolarHBondContact O-CB 3.43Å; L868-A871 PolarHBondContact O-N 2.69Å; L868-I872 HydrophobicContact CG-CD1 4.12Å; L868-I872 WeakPolarHBondContact O-CG1 3.3Å; L868-I872 PolarHBondContact O-N 2.87Å; L868-V1026 HydrophobicContact CD1-CG2 4.03Å; L868-V1026 HydrophobicContact CD2-CG1 4.29Å; L868-V1026 HydrophobicContact CD2-CG2 4Å; L868-L1029 HydrophobicContact CD1-CD1 4.36Å; L868-T1030 HydrophobicContact CB-CG2 3.94Å
869	F	96.5	Very high	94.9	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-55	-47.5	173.8	174	-87	0	0	0	111.6	P757 I758 V761 H796 W797 N865 I866 A871 I872 M873	P757-F869 HydrophobicContact CB-CD2 4.08Å; P757-F869 HydrophobicContact CB-CE2 4.07Å; I758-F869 HydrophobicContact CD1-CD2 3.91Å; I758-F869 HydrophobicContact CD1-CE2 3.84Å; I758-F869 HydrophobicContact CG1-CD2 4.46Å; V761-F869 HydrophobicContact CG2-CE2 3.89Å; V761-F869 HydrophobicContact CG2-CZ 3.71Å; H796-F869 HydrophobicContact CB-CE1 4.04Å; H796-F869 HydrophobicContact CB-CZ 3.79Å; W797-F869 HydrophobicContact CB-CE1 4.22Å; W797-F869 HydrophobicContact CE3-CB 4.21Å; W797-F869 AromaticContact CE3-CD1 3.61Å; W797-F869 HydrophobicContact CE3-CD1 3.61Å; W797-F869 AromaticContact CE3-CD2 3.87Å; W797-F869 HydrophobicContact CE3-CD2 3.87Å; W797-F869 AromaticContact CE3-CE1 3.83Å; W797-F869 HydrophobicContact CE3-CE1 3.83Å; W797-F869 HydrophobicContact CE3-CE2 4.06Å; W797-F869 AromaticContact CE3-CG 3.62Å; W797-F869 HydrophobicContact CE3-CG 3.62Å; W797-F869 HydrophobicContact CE3-CZ 4.03Å; W797-F869 HydrophobicContact CZ3-CB 3.86Å; W797-F869 HydrophobicContact CZ3-CD1 4.14Å; W797-F869 AromaticContact CZ3-CD2 3.83Å; W797-F869 HydrophobicContact CZ3-CD2 3.83Å; W797-F869 HydrophobicContact CZ3-CE2 4.38Å; W797-F869 AromaticContact CZ3-CG 3.68Å; W797-F869 HydrophobicContact CZ3-CG 3.68Å; N865-F869 PolarHBondContact O-N 3.3Å; I866-F869 WeakPolarHBondContact O-CB 3.29Å; I866-F869 PolarHBondContact O-N 3.44Å; F869-A871 VanDerWaalsContact C-N 3.26Å; F869-A871 PolarHBondContact O-N 3.38Å; F869-I872 PolarHBondContact O-N 3.17Å; F869-M873 HydrophobicContact CD1-CG 4.07Å; F869-M873 HydrophobicContact CE1-CG 3.72Å; F869-M873 HydrophobicContact CE1-SD 4.13Å; F869-M873 HydrophobicContact CE2-SD 4.35Å; F869-M873 HydrophobicContact CZ-CG 4.1Å; F869-M873 HydrophobicContact CZ-SD 3.88Å; F869-M873 WeakPolarHBondContact O-CG 3.13Å; F869-M873 PolarHBondContact O-N 2.83Å
870	R	95.6	Very high	94.8	Very high	14 Å²	14	21.9 Å²	21.9	5%	0.053	11%	0.109	C	C	.	.	H	α-helix	trans	-58.6	-38.2	174.2	-75	173.9	176.8	146.6	-6.8	112.3	S792 I866 N867 L868 M873 C874 T947 V948 I949	S792-R870 PolarHBondContact O-NH2 3.22Å; I866-R870 WeakPolarHBondContact O-CG 3.34Å; I866-R870 PolarHBondContact O-N 3.34Å; N867-R870 PolarHBondContact O-N 3.44Å; N867-R870 PolarHBondContact OD1-NH1 3.19Å; L868-R870 VanDerWaalsContact C-N 3.33Å; L868-R870 PolarHBondContact O-N 2.93Å; R870-M873 PolarHBondContact O-N 3.47Å; R870-C874 PolarHBondContact O-N 3.37Å; R870-T947 HydrophobicContact CB-CG2 4.4Å; R870-T947 HydrophobicContact CG-CG2 3.78Å; R870-V948 WeakPolarHBondContact CD-O 3.33Å; R870-V948 PolarHBondContact NE-O 2.97Å; R870-I949 HydrophobicContact CB-CG2 4.35Å
871	A	95.4	Very high	94.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-68.7	-40.2	178.1	0	0	0	0	0	112.1	N867 L868 F869 C874 A875 P953 F957 L1029	N867-A871 PolarHBondContact O-N 2.85Å; L868-A871 CarbonylContact O-C 3.44Å; L868-A871 WeakPolarHBondContact O-CA 3.27Å; L868-A871 WeakPolarHBondContact O-CB 3.43Å; L868-A871 PolarHBondContact O-N 2.69Å; F869-A871 VanDerWaalsContact C-N 3.26Å; F869-A871 PolarHBondContact O-N 3.38Å; A871-C874 WeakPolarHBondContact O-CB 3.33Å; A871-C874 PolarHBondContact O-N 3.48Å; A871-A875 PolarHBondContact O-N 3.38Å; A871-P953 HydrophobicContact CB-CB 4.05Å; A871-P953 HydrophobicContact CB-CG 3.88Å; A871-F957 HydrophobicContact CB-CE2 4.05Å; A871-L1029 HydrophobicContact CB-CB 4.26Å; A871-L1029 HydrophobicContact CB-CD1 3.94Å; A871-L1029 HydrophobicContact CB-CD2 4.3Å; A871-L1029 HydrophobicContact CB-CG 4.4Å
872	I	96.9	Very high	94.6	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-62.6	-44.1	172.3	-66.3	165	0	0	0	110.7	L745 F748 F752 C754 I758 L868 F869 C874 A875 A876	L745-I872 HydrophobicContact CD1-CG2 3.91Å; F748-I872 HydrophobicContact CB-CG2 3.94Å; F752-I872 HydrophobicContact CB-CD1 3.65Å; F752-I872 HydrophobicContact CB-CG1 4.05Å; F752-I872 HydrophobicContact CD2-CG1 4.19Å; F752-I872 HydrophobicContact CG-CD1 4.42Å; F752-I872 HydrophobicContact CG-CG1 4.28Å; C754-I872 HydrophobicContact CB-CD1 3.63Å; I758-I872 HydrophobicContact CD1-CB 4.43Å; I758-I872 HydrophobicContact CD1-CG2 3.65Å; I758-I872 HydrophobicContact CG1-CG2 4.24Å; L868-I872 HydrophobicContact CG-CD1 4.12Å; L868-I872 WeakPolarHBondContact O-CG1 3.3Å; L868-I872 PolarHBondContact O-N 2.87Å; F869-I872 PolarHBondContact O-N 3.17Å; I872-C874 VanDerWaalsContact C-N 3.26Å; I872-C874 PolarHBondContact O-N 3.16Å; I872-A875 PolarHBondContact O-N 2.88Å; I872-A876 WeakPolarHBondContact O-CB 3.36Å; I872-A876 PolarHBondContact O-N 2.88Å
873	M	97	Very high	94.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-58.1	-41.3	173.6	-64.6	-52.5	-47.3	0	0	111.2	L745 I758 V761 H796 F869 R870 L877 V928	L745-M873 HydrophobicContact CD1-CE 3.91Å; L745-M873 HydrophobicContact CD1-SD 3.61Å; L745-M873 HydrophobicContact CD2-CE 4.21Å; L745-M873 HydrophobicContact CD2-SD 4.22Å; I758-M873 HydrophobicContact CD1-SD 4.28Å; V761-M873 HydrophobicContact CG1-CE 4.2Å; V761-M873 HydrophobicContact CG1-SD 4.24Å; H796-M873 HydrophobicContact CB-CE 4.18Å; H796-M873 HydrophobicContact CB-SD 4.09Å; H796-M873 WeakPolarHBondContact ND1-CE 3.4Å; F869-M873 HydrophobicContact CD1-CG 4.07Å; F869-M873 HydrophobicContact CE1-CG 3.72Å; F869-M873 HydrophobicContact CE1-SD 4.13Å; F869-M873 HydrophobicContact CE2-SD 4.35Å; F869-M873 HydrophobicContact CZ-CG 4.1Å; F869-M873 HydrophobicContact CZ-SD 3.88Å; F869-M873 WeakPolarHBondContact O-CG 3.13Å; F869-M873 PolarHBondContact O-N 2.83Å; R870-M873 PolarHBondContact O-N 3.47Å; M873-L877 HydrophobicContact CE-CD1 3.44Å; M873-L877 VanDerWaalsContact CE-CD1 3.44Å; M873-L877 HydrophobicContact CE-CG 3.98Å; M873-L877 WeakPolarHBondContact O-CB 3.3Å; M873-L877 VanDerWaalsContact O-CG 3.29Å; M873-L877 WeakPolarHBondContact O-CG 3.34Å; M873-L877 PolarHBondContact O-N 3.07Å; M873-V928 HydrophobicContact CB-CG2 4.12Å
874	C	95.8	Very high	94.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.8	-47.7	174.8	-173.3	0	0	0	0	111.9	R870 A871 I872 A876 Y878 V928 I949 P953	R870-C874 PolarHBondContact O-N 3.37Å; A871-C874 WeakPolarHBondContact O-CB 3.33Å; A871-C874 PolarHBondContact O-N 3.48Å; I872-C874 VanDerWaalsContact C-N 3.26Å; I872-C874 PolarHBondContact O-N 3.16Å; C874-A876 VanDerWaalsContact C-N 3.32Å; C874-A876 PolarHBondContact O-N 3.43Å; C874-Y878 WeakPolarHBondContact O-CB 3.33Å; C874-Y878 PolarHBondContact O-N 3.47Å; C874-V928 HydrophobicContact CB-CG1 4.38Å; C874-I949 HydrophobicContact CB-CD1 4.15Å; C874-I949 HydrophobicContact CB-CG2 4.32Å; C874-P953 HydrophobicContact CB-CB 3.87Å
875	A	95.2	Very high	94	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.008	6%	0.061	C	C	.	.	H	α-helix	trans	-62.3	-38.2	-178.8	0	0	0	0	0	113.7	K744 F748 A871 I872 F957	K744-A875 VanDerWaalsContact CE-O 3.23Å; K744-A875 WeakPolarHBondContact CE-O 3.29Å; K744-A875 PolarHBondContact NZ-O 3.42Å; F748-A875 HydrophobicContact CD1-CB 3.57Å; F748-A875 HydrophobicContact CE1-CB 3.55Å; F748-A875 HydrophobicContact CZ-CB 4.47Å; A871-A875 PolarHBondContact O-N 3.38Å; I872-A875 PolarHBondContact O-N 2.88Å; A875-F957 HydrophobicContact CB-CB 3.87Å; A875-F957 HydrophobicContact CB-CD1 3.42Å; A875-F957 VanDerWaalsContact CB-CD1 3.42Å; A875-F957 HydrophobicContact CB-CD2 3.81Å; A875-F957 HydrophobicContact CB-CE1 3.78Å; A875-F957 HydrophobicContact CB-CE2 4.15Å; A875-F957 HydrophobicContact CB-CG 3.43Å; A875-F957 VanDerWaalsContact CB-CG 3.43Å; A875-F957 HydrophobicContact CB-CZ 4.13Å
876	A	96.1	Very high	93.5	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-80.4	-40.8	-179.6	0	0	0	0	0	112.8	Q741 K744 L745 I872 C874	Q741-A876 WeakPolarHBondContact CB-O 3.38Å; Q741-A876 PolarHBondContact NE2-O 2.96Å; K744-A876 HydrophobicContact CB-CB 4.48Å; K744-A876 HydrophobicContact CG-CB 4.46Å; L745-A876 HydrophobicContact CB-CB 3.78Å; L745-A876 HydrophobicContact CD1-CB 3.47Å; L745-A876 VanDerWaalsContact CD1-CB 3.47Å; L745-A876 HydrophobicContact CG-CB 4.24Å; I872-A876 WeakPolarHBondContact O-CB 3.36Å; I872-A876 PolarHBondContact O-N 2.88Å; C874-A876 VanDerWaalsContact C-N 3.32Å; C874-A876 PolarHBondContact O-N 3.43Å
877	L	95.5	Very high	92.8	Very high	1 Å²	1	12 Å²	12	1%	0.005	6%	0.059	C	C	.	.	H	α-helix	trans	-91	-14.5	-172.1	-61.2	-177.4	0	0	0	114.2	Q741 M873 N880 V928 F930	Q741-L877 HydrophobicContact CB-CD2 4.14Å; Q741-L877 VanDerWaalsContact NE2-C 3.32Å; Q741-L877 PolarHBondContact NE2-O 2.78Å; M873-L877 HydrophobicContact CE-CD1 3.44Å; M873-L877 VanDerWaalsContact CE-CD1 3.44Å; M873-L877 HydrophobicContact CE-CG 3.98Å; M873-L877 WeakPolarHBondContact O-CB 3.3Å; M873-L877 VanDerWaalsContact O-CG 3.29Å; M873-L877 WeakPolarHBondContact O-CG 3.34Å; M873-L877 PolarHBondContact O-N 3.07Å; L877-N880 WeakPolarHBondContact O-CA 3.45Å; L877-N880 WeakPolarHBondContact O-CB 3.33Å; L877-N880 PolarHBondContact O-N 3.3Å; L877-V928 HydrophobicContact CB-CB 4.13Å; L877-V928 HydrophobicContact CD1-CB 4.25Å; L877-V928 HydrophobicContact CD1-CG2 4.09Å; L877-F930 HydrophobicContact CD2-CD2 3.8Å
878	Y	93.2	Very high	91.5	Very high	10 Å²	10	15.6 Å²	15.6	4%	0.039	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	134.7	170.6	-164.2	-93.9	0	0	0	110.2	C874 V881 L954 D974	C874-Y878 WeakPolarHBondContact O-CB 3.33Å; C874-Y878 PolarHBondContact O-N 3.47Å; Y878-V881 HydrophobicContact CD2-CG2 3.66Å; Y878-V881 HydrophobicContact CE2-CG2 3.99Å; Y878-L954 HydrophobicContact CD2-CD2 4.44Å; Y878-L954 HydrophobicContact CE2-CD2 4.44Å; Y878-D974 PolarHBondContact OH-OD2 2.9Å
879	P	91	Very high	90.2	Very high	28 Å²	28	18.2 Å²	18.2	18%	0.182	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	cis	-90.6	15	12.2	37.8	-39.7	0	0	0	116.2	F653 Q656 V881	F653-P879 HydrophobicContact CD2-CG 3.89Å; F653-P879 HydrophobicContact CE2-CG 4.01Å; Q656-P879 HydrophobicContact CB-CG 4.1Å; P879-V881 PolarHBondContact O-N 2.8Å
880	N	92.3	Very high	89	Confident	1 Å²	1	29 Å²	29	1%	0.005	14%	0.136	C	C	.	.			trans	-74.5	71.6	-178.5	-58.6	-14	0	0	0	111.9	Q741 L877 V928 Y929 F930	Q741-N880 PolarHBondContact NE2-ND2 3.08Å; Q741-N880 PolarHBondContact OE1-ND2 2.99Å; L877-N880 WeakPolarHBondContact O-CA 3.45Å; L877-N880 WeakPolarHBondContact O-CB 3.33Å; L877-N880 PolarHBondContact O-N 3.3Å; N880-V928 VanDerWaalsContact O-CA 3.28Å; N880-V928 WeakPolarHBondContact O-CA 3.06Å; N880-Y929 VanDerWaalsContact C-CE1 3.41Å; N880-Y929 HydrophobicContact CB-CD1 4.23Å; N880-Y929 HydrophobicContact CB-CD2 4.08Å; N880-Y929 HydrophobicContact CB-CE1 3.96Å; N880-Y929 HydrophobicContact CB-CE2 3.75Å; N880-Y929 HydrophobicContact CB-CG 4.3Å; N880-Y929 WeakPolarHBondContact CB-O 3.46Å; N880-Y929 PolarHBondContact ND2-O 2.67Å; N880-Y929 WeakPolarHBondContact O-CD1 3.17Å; N880-Y929 PolarHBondContact O-N 3.1Å; N880-Y929 VanDerWaalsContact O-N 3.08Å; N880-F930 PolarHBondContact ND2-O 3.25Å
881	V	93.1	Very high	87.9	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.012	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	137.8	-177	-176.8	0	0	0	0	110.3	Y878 P879 W926 M927 V928 L954 W976	Y878-V881 HydrophobicContact CD2-CG2 3.66Å; Y878-V881 HydrophobicContact CE2-CG2 3.99Å; P879-V881 PolarHBondContact O-N 2.8Å; V881-W926 HydrophobicContact CG1-CE3 3.91Å; V881-M927 CarbonylContact C-O 3.58Å; V881-M927 WeakPolarHBondContact CA-O 3.33Å; V881-V928 HydrophobicContact CG2-CG1 3.91Å; V881-L954 HydrophobicContact CG1-CD2 4.08Å; V881-L954 HydrophobicContact CG2-CD2 3.95Å; V881-W976 HydrophobicContact CB-CH2 4.47Å; V881-W976 HydrophobicContact CB-CZ2 4.31Å; V881-W976 HydrophobicContact CG1-CH2 4.36Å; V881-W976 HydrophobicContact CG1-CZ2 4.49Å
882	V	93.6	Very high	86.4	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	149.7	167.9	-60.4	0	0	0	0	111.3	I899 M900 A901 W926 M927 Y929 I943	V882-I899 HydrophobicContact CB-CG2 3.68Å; V882-I899 HydrophobicContact CG1-CG2 4.01Å; V882-I899 HydrophobicContact CG2-CG2 3.69Å; V882-M900 CarbonylContact C-O 3.47Å; V882-M900 WeakPolarHBondContact CA-O 3.48Å; V882-A901 HydrophobicContact CG1-CB 4.22Å; V882-W926 WeakPolarHBondContact O-CA 3.47Å; V882-M927 HydrophobicContact CG2-CB 3.8Å; V882-M927 PolarHBondContact N-O 3.34Å; V882-M927 PolarHBondContact O-N 3.02Å; V882-Y929 HydrophobicContact CG1-CD1 3.86Å; V882-Y929 HydrophobicContact CG1-CE1 3.58Å; V882-I943 HydrophobicContact CG1-CG2 4.29Å; V882-I943 HydrophobicContact CG2-CD1 3.83Å
883	K	92.2	Very high	84.8	Confident	26 Å²	26	43.6 Å²	43.6	11%	0.113	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	126.2	167.4	-166.8	-175.7	-179.2	-146.2	0	109.3	D885 I899 M900 W926 W976	K883-D885 WeakPolarHBondContact CD-OD2 3.19Å; K883-D885 WeakPolarHBondContact CE-OD1 3.3Å; K883-D885 WeakPolarHBondContact CE-OD2 3.42Å; K883-D885 IonicContact NZ-OD1 2.89Å; K883-D885 PolarHBondContact NZ-OD1 3.31Å; K883-D885 IonicContact NZ-OD2 2.66Å; K883-D885 PolarHBondContact NZ-OD2 3.07Å; K883-I899 WeakPolarHBondContact O-CA 3.3Å; K883-M900 PolarHBondContact N-O 3.35Å; K883-M900 PolarHBondContact O-N 3.27Å; K883-W926 HydrophobicContact CB-CE3 3.89Å; K883-W926 HydrophobicContact CB-CH2 4.01Å; K883-W926 HydrophobicContact CB-CZ3 3.54Å; K883-W926 HydrophobicContact CD-CH2 3.79Å; K883-W926 HydrophobicContact CD-CZ2 4.2Å; K883-W926 HydrophobicContact CD-CZ3 4.21Å; K883-W926 HydrophobicContact CG-CE3 4.17Å; K883-W926 HydrophobicContact CG-CH2 3.86Å; K883-W926 HydrophobicContact CG-CZ2 4.21Å; K883-W926 HydrophobicContact CG-CZ3 3.85Å; K883-W976 HydrophobicContact CB-CZ3 4.43Å
884	V	91.3	Very high	83.1	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	100.9	171	-174.3	0	0	0	0	107.9	I899 I919 P921 P924 I925 M927	V884-I899 HydrophobicContact CG1-CG1 4.46Å; V884-I899 HydrophobicContact CG2-CG1 4.21Å; V884-I919 HydrophobicContact CG1-CG2 4.43Å; V884-P921 HydrophobicContact CG1-CG 3.97Å; V884-P924 WeakPolarHBondContact O-CA 3.34Å; V884-I925 HydrophobicContact CB-CD1 4.34Å; V884-I925 HydrophobicContact CB-CG1 3.72Å; V884-I925 HydrophobicContact CG1-CG1 4.44Å; V884-I925 HydrophobicContact CG2-CG1 4.24Å; V884-I925 PolarHBondContact N-O 3.04Å; V884-I925 PolarHBondContact O-N 3.43Å; V884-I925 VanDerWaalsContact O-N 3.15Å; V884-M927 HydrophobicContact CG2-CG 4.3Å; V884-M927 HydrophobicContact CG2-SD 3.57Å; V884-M927 VanDerWaalsContact CG2-SD 3.57Å
885	D	87.3	Confident	81.8	Confident	43 Å²	43	52.4 Å²	52.4	23%	0.23	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	120.2	178.5	-90.5	-43.4	0	0	0	110.2	K883 S897 V898 P924	K883-D885 WeakPolarHBondContact CD-OD2 3.19Å; K883-D885 WeakPolarHBondContact CE-OD1 3.3Å; K883-D885 WeakPolarHBondContact CE-OD2 3.42Å; K883-D885 IonicContact NZ-OD1 2.89Å; K883-D885 PolarHBondContact NZ-OD1 3.31Å; K883-D885 IonicContact NZ-OD2 2.66Å; K883-D885 PolarHBondContact NZ-OD2 3.07Å; D885-S897 WeakPolarHBondContact O-CA 3.47Å; D885-V898 PolarHBondContact N-O 3.11Å; D885-V898 PolarHBondContact O-N 3.45Å; D885-P924 WeakPolarHBondContact OD1-CB 3.47Å; D885-P924 WeakPolarHBondContact OD1-CG 3.39Å
886	P	83.5	Confident	80.7	Confident	23 Å²	23	57.5 Å²	57.5	15%	0.149	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	136.8	173.2	29.4	-34	0	0	0	110.2	F888 P921	P886-F888 HydrophobicContact CB-CE2 3.9Å; P886-F888 HydrophobicContact CB-CZ 4.04Å; P886-F888 HydrophobicContact CG-CE2 4.06Å; P886-F888 HydrophobicContact CG-CZ 4.41Å; P886-P921 HydrophobicContact CB-CG 4.34Å; P886-P921 WeakPolarHBondContact CB-O 3.43Å
887	R	77.9	Confident	79.9	Confident	70 Å²	70	58.6 Å²	58.6	26%	0.264	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	135.2	170.6	-74.2	-167.3	171.2	166	0.7	108.6	Y53 P894 K895 V898	Y53-R887 PolarHBondContact OH-NH2 3.35Å; Y53-R887 VanDerWaalsContact OH-NH2 3.07Å; R887-P894 CarbonylContact O-C 3.43Å; R887-K895 HydrophobicContact CB-CB 4.17Å; R887-K895 WeakPolarHBondContact O-CA 3.38Å; R887-K895 WeakPolarHBondContact O-CB 3.26Å; R887-K895 PolarHBondContact O-N 3.46Å; R887-V898 HydrophobicContact CG-CG2 4.26Å; R887-V898 VanDerWaalsContact NE-CG2 3.32Å
888	F	67.8	Low	79.3	Confident	106 Å²	106	59.3 Å²	59.3	47%	0.465	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	144.8	177.2	-61.5	-85.7	0	0	0	110.3	P886 G892 K893 P894	P886-F888 HydrophobicContact CB-CE2 3.9Å; P886-F888 HydrophobicContact CB-CZ 4.04Å; P886-F888 HydrophobicContact CG-CE2 4.06Å; P886-F888 HydrophobicContact CG-CZ 4.41Å; F888-G892 WeakPolarHBondContact CD1-O 3.49Å; F888-K893 CarbonylContact C-O 2.94Å; F888-K893 WeakPolarHBondContact CA-O 3.38Å; F888-P894 HydrophobicContact CE1-CB 4.48Å
889	T	67.3	Low	79.1	Confident	57 Å²	57	59.7 Å²	59.7	35%	0.35	31%	0.307	S	S	.	.			trans	-70.3	169.4	164.9	68.2	0	0	0	0	109.5	E891 G892 K893 K895	T889-E891 PolarHBondContact O-N 2.95Å; T889-E891 VanDerWaalsContact O-N 3.14Å; T889-E891 PolarHBondContact OG1-N 2.99Å; T889-G892 PolarHBondContact O-N 3.01Å; T889-K893 PolarHBondContact N-O 3.04Å; T889-K893 PolarHBondContact OG1-N 3.01Å; T889-K893 PolarHBondContact OG1-O 3.16Å; T889-K895 HydrophobicContact CG2-CB 4.21Å
890	K	71.8	Confident	78.9	Confident	225 Å²	225	61.2 Å²	61.2	98%	0.978	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-22.3	174.3	-68.5	-173.7	178.1	-176.3	0	113	G892	K890-G892 VanDerWaalsContact C-N 3.28Å; K890-G892 PolarHBondContact O-N 2.85Å
891	E	70.9	Confident	78.6	Confident	146 Å²	146	61.3 Å²	61.3	68%	0.682	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	6.3	178.3	-62.1	179.4	-173.7	0	0	113.2	T889 K893	T889-E891 PolarHBondContact O-N 2.95Å; T889-E891 VanDerWaalsContact O-N 3.14Å; T889-E891 PolarHBondContact OG1-N 2.99Å; E891-K893 PolarHBondContact O-N 3.02Å; E891-K893 IonicContact OE2-NZ 2.84Å; E891-K893 PolarHBondContact OE2-NZ 3.48Å
892	G	65.7	Low	78	Confident	51 Å²	51	63.2 Å²	63.2	53%	0.526	33%	0.326	S	S	.	.	S	Bend	trans	74.6	0.9	-176.7	0	0	0	0	0	114.7	F888 T889 K890	F888-G892 WeakPolarHBondContact CD1-O 3.49Å; T889-G892 PolarHBondContact O-N 3.01Å; K890-G892 VanDerWaalsContact C-N 3.28Å; K890-G892 PolarHBondContact O-N 2.85Å
893	K	62.7	Low	77.1	Confident	126 Å²	126	67.8 Å²	67.8	55%	0.548	36%	0.356	S	S	.	.			trans	-76.8	139.3	173.7	-67.1	175.6	-177	155.3	0	110.6	F888 T889 E891 K895	F888-K893 CarbonylContact C-O 2.94Å; F888-K893 WeakPolarHBondContact CA-O 3.38Å; T889-K893 PolarHBondContact N-O 3.04Å; T889-K893 PolarHBondContact OG1-N 3.01Å; T889-K893 PolarHBondContact OG1-O 3.16Å; E891-K893 PolarHBondContact O-N 3.02Å; E891-K893 IonicContact OE2-NZ 2.84Å; E891-K893 PolarHBondContact OE2-NZ 3.48Å; K893-K895 PolarHBondContact O-N 3.1Å
894	P	60.6	Low	76.2	Confident	62 Å²	62	70.9 Å²	70.9	40%	0.403	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	129.4	173.6	24.3	-31.4	0	0	0	110.7	R887 F888 Q920	R887-P894 CarbonylContact O-C 3.43Å; F888-P894 HydrophobicContact CE1-CB 4.48Å; P894-Q920 VanDerWaalsContact CG-OE1 3.29Å
895	K	69.6	Low	75.6	Confident	123 Å²	123	72.2 Å²	72.2	54%	0.535	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	178	162.3	-161.3	-178.4	177.3	173.6	0	108.1	R887 T889 K893 S897	R887-K895 HydrophobicContact CB-CB 4.17Å; R887-K895 WeakPolarHBondContact O-CA 3.38Å; R887-K895 WeakPolarHBondContact O-CB 3.26Å; R887-K895 PolarHBondContact O-N 3.46Å; T889-K895 HydrophobicContact CG2-CB 4.21Å; K893-K895 PolarHBondContact O-N 3.1Å; K895-S897 PolarHBondContact O-N 3.2Å; K895-S897 VanDerWaalsContact O-N 3.13Å
896	T	71.8	Confident	75.5	Confident	107 Å²	107	71.2 Å²	71.2	66%	0.656	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-49.7	118.3	165.9	51.3	0	0	0	0	111.5
897	S	79.6	Confident	75.7	Confident	23 Å²	23	74.8 Å²	74.8	16%	0.161	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	149.5	170.3	-49.2	0	0	0	0	110.8	D885 K895	D885-S897 WeakPolarHBondContact O-CA 3.47Å; K895-S897 PolarHBondContact O-N 3.2Å; K895-S897 VanDerWaalsContact O-N 3.13Å
898	V	83.2	Confident	76.3	Confident	16 Å²	16	71.7 Å²	71.7	10%	0.097	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	126.6	171.9	177.9	0	0	0	0	109.6	D885 R887 M900 R907	D885-V898 PolarHBondContact N-O 3.11Å; D885-V898 PolarHBondContact O-N 3.45Å; R887-V898 HydrophobicContact CG-CG2 4.26Å; R887-V898 VanDerWaalsContact NE-CG2 3.32Å; V898-M900 HydrophobicContact CG1-CG 3.94Å; V898-M900 HydrophobicContact CG1-SD 3.63Å; V898-R907 HydrophobicContact CG1-CG 4.2Å
899	I	88.5	Confident	77.4	Confident	18 Å²	18	69.4 Å²	69.4	9%	0.092	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	117	176.2	-52.9	90.2	0	0	0	107.8	V882 K883 V884 R907 A908 I910	V882-I899 HydrophobicContact CB-CG2 3.68Å; V882-I899 HydrophobicContact CG1-CG2 4.01Å; V882-I899 HydrophobicContact CG2-CG2 3.69Å; K883-I899 WeakPolarHBondContact O-CA 3.3Å; V884-I899 HydrophobicContact CG1-CG1 4.46Å; V884-I899 HydrophobicContact CG2-CG1 4.21Å; I899-R907 WeakPolarHBondContact O-CA 3.23Å; I899-A908 WeakPolarHBondContact CB-O 3.44Å; I899-A908 HydrophobicContact CG2-CB 4.16Å; I899-A908 PolarHBondContact O-N 2.97Å; I899-I910 HydrophobicContact CD1-CG1 4.35Å; I899-I910 HydrophobicContact CG1-CD1 4.32Å; I899-I910 HydrophobicContact CG1-CG1 4.08Å
900	M	87.3	Confident	78.6	Confident	61 Å²	61	67.7 Å²	67.7	30%	0.3	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	122.7	179.1	-62	-64.5	-57.9	0	0	108.5	V882 K883 V898 R907	V882-M900 CarbonylContact C-O 3.47Å; V882-M900 WeakPolarHBondContact CA-O 3.48Å; K883-M900 PolarHBondContact N-O 3.35Å; K883-M900 PolarHBondContact O-N 3.27Å; V898-M900 HydrophobicContact CG1-CG 3.94Å; V898-M900 HydrophobicContact CG1-SD 3.63Å; M900-R907 HydrophobicContact CE-CG 4.3Å; M900-R907 HydrophobicContact SD-CG 3.41Å; M900-R907 WeakPolarHBondContact SD-CG 3.31Å
901	A	85	Confident	79.5	Confident	3 Å²	3	58.8 Å²	58.8	3%	0.025	33%	0.33	C	S	.	.			trans	-80.5	-171.9	165.3	0	0	0	0	0	110	V882 E905 G906	V882-A901 HydrophobicContact CG1-CB 4.22Å; A901-E905 HydrophobicContact CB-CB 3.83Å; A901-E905 WeakPolarHBondContact CB-OE2 3.08Å; A901-G906 PolarHBondContact N-O 3.42Å
902	C	79.9	Confident	80.3	Confident	41 Å²	41	55.9 Å²	55.9	28%	0.277	32%	0.323	S	S	.	.			trans	-48.5	144.1	171.2	-177.8	0	0	0	0	110.5	S904 E905 G906	C902-S904 PolarHBondContact O-N 3.24Å; C902-E905 HydrophobicContact CB-CG 4.48Å; C902-E905 PolarHBondContact O-N 3.16Å; C902-G906 PolarHBondContact O-N 3.18Å; C902-G906 VanDerWaalsContact O-N 3.15Å
903	P	76	Confident	81.2	Confident	97 Å²	97	55.2 Å²	55.2	63%	0.63	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-30.8	-175.2	-32.3	36.6	0	0	0	115.8	E905 W976	P903-E905 VanDerWaalsContact C-N 3.33Å; P903-W976 HydrophobicContact CG-CB 3.72Å; P903-W976 HydrophobicContact CG-CG 4.42Å
904	S	72.3	Confident	82.6	Confident	91 Å²	91	49.5 Å²	49.5	64%	0.636	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-27	175.4	54.5	0	0	0	0	113.8	C902	C902-S904 PolarHBondContact O-N 3.24Å
905	E	79.4	Confident	84.2	Confident	28 Å²	28	47.2 Å²	47.2	13%	0.131	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-24.1	-175.3	-59.1	-171.1	156.5	0	0	113.5	N561 A901 C902 P903 K932	N561-E905 WeakPolarHBondContact CB-OE1 3.34Å; N561-E905 PolarHBondContact ND2-OE1 3.27Å; A901-E905 HydrophobicContact CB-CB 3.83Å; A901-E905 WeakPolarHBondContact CB-OE2 3.08Å; C902-E905 HydrophobicContact CB-CG 4.48Å; C902-E905 PolarHBondContact O-N 3.16Å; P903-E905 VanDerWaalsContact C-N 3.33Å; E905-K932 IonicContact OE1-NZ 3.1Å; E905-K932 IonicContact OE2-NZ 3.77Å; E905-K932 PolarHBondContact OE2-NZ 2.84Å
906	G	84.2	Confident	85.3	Confident	22 Å²	22	41.4 Å²	41.4	23%	0.227	25%	0.246	C	C	.	.			trans	77.6	-139.9	173.1	0	0	0	0	0	114.9	A901 C902	A901-G906 PolarHBondContact N-O 3.42Å; C902-G906 PolarHBondContact O-N 3.18Å; C902-G906 VanDerWaalsContact O-N 3.15Å
907	R	88.5	Confident	86.1	Confident	98 Å²	98	38.6 Å²	38.6	37%	0.37	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	146.5	-173.3	-79.1	-174.6	-173	169.1	11.4	112.9	V898 I899 M900 Y940 P941	V898-R907 HydrophobicContact CG1-CG 4.2Å; I899-R907 WeakPolarHBondContact O-CA 3.23Å; M900-R907 HydrophobicContact CE-CG 4.3Å; M900-R907 HydrophobicContact SD-CG 3.41Å; M900-R907 WeakPolarHBondContact SD-CG 3.31Å; R907-Y940 HydrophobicContact CB-CD1 3.8Å; R907-Y940 HydrophobicContact CB-CE1 3.99Å; R907-Y940 HydrophobicContact CB-CG 4.24Å; R907-P941 WeakPolarHBondContact O-CD 3.34Å
908	A	90.4	Very high	86.4	Confident	4 Å²	4	42.2 Å²	42.2	3%	0.033	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	175.4	171.6	0	0	0	0	0	111.6	I899 P941 I943	I899-A908 WeakPolarHBondContact CB-O 3.44Å; I899-A908 HydrophobicContact CG2-CB 4.16Å; I899-A908 PolarHBondContact O-N 2.97Å; A908-P941 CarbonylContact C-O 3.56Å; A908-P941 VanDerWaalsContact CA-O 3.29Å; A908-P941 WeakPolarHBondContact CA-O 3.31Å; A908-P941 HydrophobicContact CB-CG 4.48Å; A908-I943 HydrophobicContact CB-CG2 4.23Å
909	N	91.9	Very high	86.6	Confident	59 Å²	59	42 Å²	42	32%	0.316	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	158.6	169	-68.7	-30.7	0	0	0	109.2	P941 S942 I943	N909-P941 PolarHBondContact N-O 2.76Å; N909-S942 CarbonylContact O-C 3.57Å; N909-S942 VanDerWaalsContact O-CA 3.23Å; N909-S942 WeakPolarHBondContact O-CA 3.41Å; N909-I943 WeakPolarHBondContact O-CG1 3.22Å; N909-I943 PolarHBondContact O-N 2.84Å
910	I	92.4	Very high	86.3	Confident	20 Å²	20	43.3 Å²	43.3	10%	0.103	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	132.7	166.7	-57.8	171.5	0	0	0	107.8	I899 N916 I919 M927 I943	I899-I910 HydrophobicContact CD1-CG1 4.35Å; I899-I910 HydrophobicContact CG1-CD1 4.32Å; I899-I910 HydrophobicContact CG1-CG1 4.08Å; I910-N916 WeakPolarHBondContact CD1-O 3.38Å; I910-I919 HydrophobicContact CD1-CG2 3.76Å; I910-M927 HydrophobicContact CD1-CE 3.94Å; I910-M927 HydrophobicContact CD1-SD 4.06Å; I910-M927 HydrophobicContact CG1-CE 4.35Å; I910-I943 HydrophobicContact CB-CG1 4.48Å; I910-I943 HydrophobicContact CG1-CD1 4.18Å; I910-I943 HydrophobicContact CG1-CG1 4.2Å
911	H	90.3	Very high	86.2	Confident	38 Å²	38	40.6 Å²	40.6	18%	0.176	24%	0.235	C	C	.	.			trans	-60.5	139.2	177.9	-172.1	-101.4	0	0	0	111.3	S913 S914 S917 I943 F944	H911-S913 PolarHBondContact CE1-OG 3Å; H911-S913 WeakPolarHBondContact ND1-CB 3.23Å; H911-S913 PolarHBondContact ND1-N 2.91Å; H911-S913 PolarHBondContact ND1-OG 3.46Å; H911-S913 PolarHBondContact O-N 3.5Å; H911-S913 VanDerWaalsContact O-N 3.12Å; H911-S914 VanDerWaalsContact O-CB 3.26Å; H911-S914 WeakPolarHBondContact O-CB 3.47Å; H911-S914 PolarHBondContact O-N 2.94Å; H911-S917 WeakPolarHBondContact O-CB 3.42Å; H911-I943 VanDerWaalsContact CB-O 3.23Å; H911-I943 WeakPolarHBondContact CB-O 3.19Å; H911-I943 PolarHBondContact N-O 3.2Å; H911-F944 HydrophobicContact CB-CD1 3.82Å; H911-F944 HydrophobicContact CB-CD2 4.38Å; H911-F944 HydrophobicContact CB-CE1 3.8Å; H911-F944 HydrophobicContact CB-CE2 4.31Å; H911-F944 HydrophobicContact CB-CG 4.12Å; H911-F944 HydrophobicContact CB-CZ 4.04Å; H911-F944 AromaticContact CD2-CD1 4Å; H911-F944 AromaticContact CD2-CE1 3.09Å; H911-F944 WeakPolarHBondContact CD2-CE1 3.35Å; H911-F944 AromaticContact CD2-CZ 3.1Å; H911-F944 WeakPolarHBondContact CD2-CZ 3.3Å; H911-F944 AromaticContact CE1-CE1 3.66Å; H911-F944 AromaticContact CG-CD1 3.62Å; H911-F944 AromaticContact CG-CE1 3.18Å; H911-F944 AromaticContact CG-CZ 3.58Å; H911-F944 AromaticContact ND1-CD1 3.91Å; H911-F944 AromaticContact ND1-CE1 3.54Å; H911-F944 AromaticContact NE2-CE1 3.43Å; H911-F944 WeakPolarHBondContact NE2-CE1 3.2Å; H911-F944 AromaticContact NE2-CZ 3.69Å
912	P	86.4	Confident	85.9	Confident	85 Å²	85	44 Å²	44	55%	0.552	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-30.5	-176.9	-29.1	36.7	0	0	0	115.3	S914 S917	P912-S914 PolarHBondContact O-N 3Å; P912-S917 WeakPolarHBondContact O-CB 3.47Å; P912-S917 PolarHBondContact O-OG 3.29Å
913	S	85.6	Confident	85.9	Confident	37 Å²	37	46.9 Å²	46.9	26%	0.259	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-9.6	178.4	74	0	0	0	0	114.3	H911	H911-S913 PolarHBondContact CE1-OG 3Å; H911-S913 WeakPolarHBondContact ND1-CB 3.23Å; H911-S913 PolarHBondContact ND1-N 2.91Å; H911-S913 PolarHBondContact ND1-OG 3.46Å; H911-S913 PolarHBondContact O-N 3.5Å; H911-S913 VanDerWaalsContact O-N 3.12Å
914	S	92.4	Very high	86.4	Confident	6 Å²	6	44.2 Å²	44.2	4%	0.042	25%	0.247	C	C	.	.	S	Bend	trans	-71	142.7	176.7	174.8	0	0	0	0	110.4	D795 H911 P912 N916 S917 S946	D795-S914 VanDerWaalsContact CG-OG 3.3Å; D795-S914 VanDerWaalsContact OD1-CA 3.3Å; D795-S914 WeakPolarHBondContact OD1-CA 3.18Å; D795-S914 PolarHBondContact OD1-OG 2.84Å; D795-S914 WeakPolarHBondContact OD2-CB 3.45Å; D795-S914 PolarHBondContact OD2-OG 3.35Å; H911-S914 VanDerWaalsContact O-CB 3.26Å; H911-S914 WeakPolarHBondContact O-CB 3.47Å; H911-S914 PolarHBondContact O-N 2.94Å; P912-S914 PolarHBondContact O-N 3Å; S914-N916 PolarHBondContact O-N 2.79Å; S914-N916 VanDerWaalsContact O-N 3.11Å; S914-N916 PolarHBondContact OG-N 2.86Å; S914-N916 VanDerWaalsContact OG-N 3.08Å; S914-S917 VanDerWaalsContact O-CB 3.29Å; S914-S917 WeakPolarHBondContact O-CB 3.32Å; S914-S917 PolarHBondContact O-N 3.31Å; S914-S917 PolarHBondContact O-OG 2.82Å; S914-S946 PolarHBondContact OG-OG 3.01Å
915	V	92.5	Very high	87.2	Confident	14 Å²	14	40 Å²	40	9%	0.085	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-13.3	171.7	-54.4	0	0	0	0	112.7	R785 K786 D795 V798	R785-V915 HydrophobicContact CG-CG1 3.93Å; K786-V915 HydrophobicContact CD-CB 4.2Å; K786-V915 PolarHBondContact NZ-O 3.13Å; D795-V915 WeakPolarHBondContact OD1-CG2 3.44Å; D795-V915 PolarHBondContact OD1-N 2.71Å; V798-V915 HydrophobicContact CG2-CG1 3.91Å
916	N	93.3	Very high	87.8	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.005	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	3.1	177.4	-62.1	-33.9	0	0	0	113.1	F793 I910 S914 K918 I919 M927 S946	F793-N916 VanDerWaalsContact CA-OD1 3.28Å; F793-N916 WeakPolarHBondContact CA-OD1 3.44Å; F793-N916 PolarHBondContact O-ND2 2.76Å; F793-N916 PolarHBondContact O-OD1 2.8Å; I910-N916 WeakPolarHBondContact CD1-O 3.38Å; S914-N916 PolarHBondContact O-N 2.79Å; S914-N916 VanDerWaalsContact O-N 3.11Å; S914-N916 PolarHBondContact OG-N 2.86Å; S914-N916 VanDerWaalsContact OG-N 3.08Å; N916-K918 PolarHBondContact O-N 3.4Å; N916-K918 VanDerWaalsContact O-N 3.14Å; N916-I919 HydrophobicContact CB-CD1 4.49Å; N916-I919 VanDerWaalsContact O-CB 3.24Å; N916-I919 WeakPolarHBondContact O-CB 3.44Å; N916-I919 WeakPolarHBondContact O-CG2 3.35Å; N916-I919 PolarHBondContact O-N 3.25Å; N916-I919 VanDerWaalsContact O-N 3.11Å; N916-M927 HydrophobicContact CB-CE 4.03Å; N916-S946 PolarHBondContact ND2-OG 3Å
917	S	89.9	Confident	88.3	Confident	48 Å²	48	38.3 Å²	38.3	34%	0.336	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-27.7	-175.9	63.1	0	0	0	0	114.4	H911 P912 S914	H911-S917 WeakPolarHBondContact O-CB 3.42Å; P912-S917 WeakPolarHBondContact O-CB 3.47Å; P912-S917 PolarHBondContact O-OG 3.29Å; S914-S917 VanDerWaalsContact O-CB 3.29Å; S914-S917 WeakPolarHBondContact O-CB 3.32Å; S914-S917 PolarHBondContact O-N 3.31Å; S914-S917 PolarHBondContact O-OG 2.82Å
918	K	85.6	Confident	88.7	Confident	99 Å²	99	33.6 Å²	33.6	43%	0.43	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	23.6	178.8	-58.5	-174.3	-177.8	-177.2	0	113.5	N916 Q920 V1039	N916-K918 PolarHBondContact O-N 3.4Å; N916-K918 VanDerWaalsContact O-N 3.14Å; K918-Q920 PolarHBondContact O-N 3.31Å; K918-V1039 HydrophobicContact CB-CG1 4.48Å
919	I	86.6	Confident	89	Confident	11 Å²	11	33.5 Å²	33.5	6%	0.056	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	128	-177.6	-160.9	163.8	0	0	0	111.3	F793 V884 I910 N916 I925 V948 V1037	F793-I919 HydrophobicContact CD1-CD1 4.25Å; V884-I919 HydrophobicContact CG1-CG2 4.43Å; I910-I919 HydrophobicContact CD1-CG2 3.76Å; N916-I919 HydrophobicContact CB-CD1 4.49Å; N916-I919 VanDerWaalsContact O-CB 3.24Å; N916-I919 WeakPolarHBondContact O-CB 3.44Å; N916-I919 WeakPolarHBondContact O-CG2 3.35Å; N916-I919 PolarHBondContact O-N 3.25Å; N916-I919 VanDerWaalsContact O-N 3.11Å; I919-I925 HydrophobicContact CD1-CD1 3.47Å; I919-I925 VanDerWaalsContact CD1-CD1 3.47Å; I919-I925 HydrophobicContact CG1-CD1 4.16Å; I919-V948 HydrophobicContact CD1-CG2 3.63Å; I919-V1037 HydrophobicContact CD1-CG1 3.55Å; I919-V1037 HydrophobicContact CD1-CG2 4.31Å; I919-V1037 HydrophobicContact CG1-CG1 3.25Å
920	Q	83.4	Confident	89.1	Confident	47 Å²	47	31.5 Å²	31.5	22%	0.22	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	88.4	175.4	-65.5	-172.1	14.9	0	0	108.8	P894 K918 Q1038 E1040	P894-Q920 VanDerWaalsContact CG-OE1 3.29Å; K918-Q920 PolarHBondContact O-N 3.31Å; Q920-Q1038 CarbonylContact C-O 3.15Å; Q920-Q1038 PolarHBondContact N-O 3.37Å; Q920-Q1038 PolarHBondContact O-N 2.92Å; Q920-Q1038 VanDerWaalsContact O-O 3.13Å; Q920-E1040 PolarHBondContact NE2-OE2 3.35Å
921	P	83.8	Confident	88.9	Confident	3 Å²	3	32.6 Å²	32.6	2%	0.019	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	150.8	178.7	35.2	-36.2	0	0	0	110.6	V884 P886 E923 I925	V884-P921 HydrophobicContact CG1-CG 3.97Å; P886-P921 HydrophobicContact CB-CG 4.34Å; P886-P921 WeakPolarHBondContact CB-O 3.43Å; P921-E923 VanDerWaalsContact CB-O 3.29Å; P921-E923 WeakPolarHBondContact CB-O 3.37Å; P921-I925 HydrophobicContact CB-CB 4.47Å; P921-I925 HydrophobicContact CB-CD1 3.92Å; P921-I925 HydrophobicContact CB-CG1 3.96Å; P921-I925 HydrophobicContact CB-CG2 3.75Å; P921-I925 HydrophobicContact CG-CD1 4.17Å; P921-I925 HydrophobicContact CG-CG1 4.05Å
922	T	79.7	Confident	88.9	Confident	74 Å²	74	30.9 Å²	30.9	45%	0.454	17%	0.172	S	C	.	.	S	Bend	trans	-83.7	-23.1	175.1	47.6	0	0	0	0	112.4
923	E	80.2	Confident	88.8	Confident	103 Å²	103	28 Å²	28	48%	0.481	15%	0.153	S	C	.	.	S	Bend	trans	-132.7	166.2	177.7	64	-173.6	167.8	0	0	110.1	P921 I925	P921-E923 VanDerWaalsContact CB-O 3.29Å; P921-E923 WeakPolarHBondContact CB-O 3.37Å; E923-I925 PolarHBondContact O-N 2.85Å
924	P	85.3	Confident	88.7	Confident	40 Å²	40	29.7 Å²	29.7	26%	0.26	16%	0.156	S	C	.	.			trans	-60.8	127.1	176.5	-22.2	33.8	0	0	0	112.1	V884 D885	V884-P924 WeakPolarHBondContact O-CA 3.34Å; D885-P924 WeakPolarHBondContact OD1-CB 3.47Å; D885-P924 WeakPolarHBondContact OD1-CG 3.39Å
925	I	89.6	Confident	87.9	Confident	2 Å²	2	32.1 Å²	32.1	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	160.5	176	65.1	170.4	0	0	0	111.2	V884 I919 P921 E923 V948 P1035 V1037	V884-I925 HydrophobicContact CB-CD1 4.34Å; V884-I925 HydrophobicContact CB-CG1 3.72Å; V884-I925 HydrophobicContact CG1-CG1 4.44Å; V884-I925 HydrophobicContact CG2-CG1 4.24Å; V884-I925 PolarHBondContact N-O 3.04Å; V884-I925 PolarHBondContact O-N 3.43Å; V884-I925 VanDerWaalsContact O-N 3.15Å; I919-I925 HydrophobicContact CD1-CD1 3.47Å; I919-I925 VanDerWaalsContact CD1-CD1 3.47Å; I919-I925 HydrophobicContact CG1-CD1 4.16Å; P921-I925 HydrophobicContact CB-CB 4.47Å; P921-I925 HydrophobicContact CB-CD1 3.92Å; P921-I925 HydrophobicContact CB-CG1 3.96Å; P921-I925 HydrophobicContact CB-CG2 3.75Å; P921-I925 HydrophobicContact CG-CD1 4.17Å; P921-I925 HydrophobicContact CG-CG1 4.05Å; E923-I925 PolarHBondContact O-N 2.85Å; I925-V948 HydrophobicContact CD1-CG1 4.28Å; I925-V948 HydrophobicContact CD1-CG2 4.16Å; I925-P1035 HydrophobicContact CB-CB 4.46Å; I925-P1035 HydrophobicContact CG2-CB 3.59Å; I925-P1035 HydrophobicContact CG2-CG 4.21Å; I925-V1037 HydrophobicContact CD1-CG2 4.14Å; I925-V1037 HydrophobicContact CG2-CG2 4.4Å
926	W	92.5	Very high	86.7	Confident	15 Å²	15	35.9 Å²	35.9	6%	0.057	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	143.5	177.8	-58.7	99.3	0	0	0	110.6	V881 V882 K883 I949 L954 W976 I977	V881-W926 HydrophobicContact CG1-CE3 3.91Å; V882-W926 WeakPolarHBondContact O-CA 3.47Å; K883-W926 HydrophobicContact CB-CE3 3.89Å; K883-W926 HydrophobicContact CB-CH2 4.01Å; K883-W926 HydrophobicContact CB-CZ3 3.54Å; K883-W926 HydrophobicContact CD-CH2 3.79Å; K883-W926 HydrophobicContact CD-CZ2 4.2Å; K883-W926 HydrophobicContact CD-CZ3 4.21Å; K883-W926 HydrophobicContact CG-CE3 4.17Å; K883-W926 HydrophobicContact CG-CH2 3.86Å; K883-W926 HydrophobicContact CG-CZ2 4.21Å; K883-W926 HydrophobicContact CG-CZ3 3.85Å; W926-I949 HydrophobicContact CB-CD1 4.34Å; W926-I949 HydrophobicContact CB-CG1 3.87Å; W926-I949 PolarHBondContact O-N 3.43Å; W926-L954 HydrophobicContact CB-CD1 3.73Å; W926-L954 HydrophobicContact CD2-CD1 3.78Å; W926-L954 HydrophobicContact CE3-CD1 4.3Å; W926-L954 HydrophobicContact CG-CD1 3.47Å; W926-L954 VanDerWaalsContact CG-CD1 3.47Å; W926-W976 HydrophobicContact CE3-CH2 4.46Å; W926-W976 HydrophobicContact CH2-CZ3 4.25Å; W926-W976 HydrophobicContact CZ3-CE3 4.33Å; W926-W976 AromaticContact CZ3-CH2 3.71Å; W926-W976 HydrophobicContact CZ3-CH2 3.71Å; W926-W976 HydrophobicContact CZ3-CZ2 4.48Å; W926-W976 AromaticContact CZ3-CZ3 3.63Å; W926-W976 HydrophobicContact CZ3-CZ3 3.63Å; W926-I977 HydrophobicContact CH2-CB 4.04Å; W926-I977 HydrophobicContact CH2-CG1 3.91Å; W926-I977 HydrophobicContact CH2-CG2 3.77Å; W926-I977 HydrophobicContact CZ2-CB 4.42Å; W926-I977 HydrophobicContact CZ2-CG2 3.67Å; W926-I977 HydrophobicContact CZ3-CD1 4.47Å; W926-I977 HydrophobicContact CZ3-CG1 3.92Å; W926-I977 HydrophobicContact CZ3-CG2 4.35Å
927	M	94.8	Very high	85.2	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	136.9	175.8	-71.4	171.4	51.3	0	0	110.2	V881 V882 V884 I910 N916 I943 S946 T947 V948	V881-M927 CarbonylContact C-O 3.58Å; V881-M927 WeakPolarHBondContact CA-O 3.33Å; V882-M927 HydrophobicContact CG2-CB 3.8Å; V882-M927 PolarHBondContact N-O 3.34Å; V882-M927 PolarHBondContact O-N 3.02Å; V884-M927 HydrophobicContact CG2-CG 4.3Å; V884-M927 HydrophobicContact CG2-SD 3.57Å; V884-M927 VanDerWaalsContact CG2-SD 3.57Å; I910-M927 HydrophobicContact CD1-CE 3.94Å; I910-M927 HydrophobicContact CD1-SD 4.06Å; I910-M927 HydrophobicContact CG1-CE 4.35Å; N916-M927 HydrophobicContact CB-CE 4.03Å; M927-I943 HydrophobicContact CE-CD1 3.96Å; M927-S946 VanDerWaalsContact CE-OG 3.24Å; M927-S946 WeakPolarHBondContact CE-OG 3.34Å; M927-T947 CarbonylContact C-O 3.57Å; M927-T947 VanDerWaalsContact CA-O 3.25Å; M927-T947 WeakPolarHBondContact CA-O 3.18Å; M927-V948 HydrophobicContact CG-CB 4.37Å; M927-V948 HydrophobicContact CG-CG2 3.78Å; M927-V948 HydrophobicContact SD-CG2 4.19Å
928	V	95.8	Very high	84.1	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	153.3	163.5	-68	0	0	0	0	110.1	M873 C874 L877 N880 V881 S946 T947 I949	M873-V928 HydrophobicContact CB-CG2 4.12Å; C874-V928 HydrophobicContact CB-CG1 4.38Å; L877-V928 HydrophobicContact CB-CB 4.13Å; L877-V928 HydrophobicContact CD1-CB 4.25Å; L877-V928 HydrophobicContact CD1-CG2 4.09Å; N880-V928 VanDerWaalsContact O-CA 3.28Å; N880-V928 WeakPolarHBondContact O-CA 3.06Å; V881-V928 HydrophobicContact CG2-CG1 3.91Å; V928-S946 CarbonylContact O-C 3.6Å; V928-S946 VanDerWaalsContact O-CA 3.27Å; V928-S946 WeakPolarHBondContact O-CA 3.25Å; V928-T947 PolarHBondContact N-O 3.08Å; V928-T947 PolarHBondContact O-N 2.89Å; V928-I949 HydrophobicContact CG1-CD1 3.62Å; V928-I949 HydrophobicContact CG1-CG1 4.45Å; V928-I949 HydrophobicContact CG1-CG2 4.46Å; V928-I949 HydrophobicContact CG2-CG2 3.96Å
929	Y	96.1	Very high	83.5	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.008	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	152.5	177.3	64.6	-90.4	0	0	0	111.3	N880 V882 K932 I943 D945	N880-Y929 VanDerWaalsContact C-CE1 3.41Å; N880-Y929 HydrophobicContact CB-CD1 4.23Å; N880-Y929 HydrophobicContact CB-CD2 4.08Å; N880-Y929 HydrophobicContact CB-CE1 3.96Å; N880-Y929 HydrophobicContact CB-CE2 3.75Å; N880-Y929 HydrophobicContact CB-CG 4.3Å; N880-Y929 WeakPolarHBondContact CB-O 3.46Å; N880-Y929 PolarHBondContact ND2-O 2.67Å; N880-Y929 WeakPolarHBondContact O-CD1 3.17Å; N880-Y929 PolarHBondContact O-N 3.1Å; N880-Y929 VanDerWaalsContact O-N 3.08Å; V882-Y929 HydrophobicContact CG1-CD1 3.86Å; V882-Y929 HydrophobicContact CG1-CE1 3.58Å; Y929-K932 HydrophobicContact CD2-CB 4.23Å; Y929-K932 HydrophobicContact CE2-CB 3.63Å; Y929-I943 HydrophobicContact CD1-CB 4.38Å; Y929-I943 HydrophobicContact CD1-CD1 4.41Å; Y929-I943 HydrophobicContact CD1-CG2 3.9Å; Y929-I943 HydrophobicContact CD2-CB 4.27Å; Y929-I943 HydrophobicContact CD2-CG2 4.03Å; Y929-I943 HydrophobicContact CE1-CG2 4.16Å; Y929-I943 HydrophobicContact CE2-CG2 4.32Å; Y929-I943 HydrophobicContact CG-CB 3.94Å; Y929-I943 HydrophobicContact CG-CD1 4.46Å; Y929-I943 HydrophobicContact CG-CG2 3.82Å; Y929-D945 WeakPolarHBondContact CA-O 3.5Å
930	F	94.4	Very high	83.3	Confident	17 Å²	17	43.6 Å²	43.6	8%	0.075	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	-54.7	176.1	-175.6	-125.3	0	0	0	111.6	D739 C742 L765 L877 N880 F944 D945	D739-F930 HydrophobicContact CB-CE2 4.4Å; D739-F930 HydrophobicContact CB-CZ 4.15Å; C742-F930 VanDerWaalsContact SG-CE2 3.52Å; C742-F930 VanDerWaalsContact SG-CZ 3.59Å; L765-F930 HydrophobicContact CB-CD1 4.01Å; L765-F930 HydrophobicContact CB-CE1 3.8Å; L765-F930 HydrophobicContact CB-CZ 4.21Å; L765-F930 HydrophobicContact CD1-CB 4.26Å; L765-F930 HydrophobicContact CD1-CD1 4.05Å; L765-F930 HydrophobicContact CD1-CD2 3.99Å; L765-F930 HydrophobicContact CD1-CE1 4.44Å; L765-F930 HydrophobicContact CD1-CE2 4.39Å; L765-F930 HydrophobicContact CD1-CG 3.83Å; L765-F930 HydrophobicContact CD2-CB 4.19Å; L765-F930 HydrophobicContact CD2-CD1 3.67Å; L765-F930 HydrophobicContact CD2-CE1 4.33Å; L765-F930 HydrophobicContact CD2-CG 4.05Å; L765-F930 HydrophobicContact CG-CD1 4.11Å; L765-F930 HydrophobicContact CG-CE1 4.4Å; L765-F930 HydrophobicContact CG-CG 4.37Å; L877-F930 HydrophobicContact CD2-CD2 3.8Å; N880-F930 PolarHBondContact ND2-O 3.25Å; F930-F944 PolarHBondContact N-O 3.11Å; F930-D945 HydrophobicContact CB-CB 3.99Å; F930-D945 PolarHBondContact N-O 3.11Å; F930-D945 VanDerWaalsContact N-O 3.08Å
931	T	89.5	Confident	83.5	Confident	42 Å²	42	42 Å²	42	26%	0.258	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	148.6	-177.5	59.1	0	0	0	0	113.6	I943 F944	T931-I943 CarbonylContact O-C 3.53Å; T931-I943 WeakPolarHBondContact O-CA 3.42Å; T931-F944 PolarHBondContact O-N 2.99Å; T931-F944 WeakPolarHBondContact OG1-CB 3.23Å
932	K	89.3	Confident	83.8	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.009	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	117.2	175.6	-177.2	177.7	65.8	174	0	108.9	Q560 N561 T562 S563 E905 Y929 P941 S942 I943	Q560-K932 WeakPolarHBondContact O-CE 3.18Å; Q560-K932 PolarHBondContact O-NZ 2.93Å; N561-K932 WeakPolarHBondContact O-CE 3.41Å; T562-K932 WeakPolarHBondContact OG1-CE 3.3Å; S563-K932 PolarHBondContact N-O 2.76Å; E905-K932 IonicContact OE1-NZ 3.1Å; E905-K932 IonicContact OE2-NZ 3.77Å; E905-K932 PolarHBondContact OE2-NZ 2.84Å; Y929-K932 HydrophobicContact CD2-CB 4.23Å; Y929-K932 HydrophobicContact CE2-CB 3.63Å; K932-P941 HydrophobicContact CD-CB 4.2Å; K932-P941 HydrophobicContact CD-CG 4.18Å; K932-P941 HydrophobicContact CG-CB 3.79Å; K932-P941 HydrophobicContact CG-CG 4.32Å; K932-S942 WeakPolarHBondContact CA-O 3.49Å; K932-I943 HydrophobicContact CB-CG2 4.29Å; K932-I943 HydrophobicContact CD-CG2 4.38Å; K932-I943 HydrophobicContact CG-CG2 4.11Å
933	T	85.4	Confident	84.5	Confident	26 Å²	26	38.7 Å²	38.7	16%	0.16	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	135.3	-172.5	-55.2	0	0	0	0	112.3	S563 L935 S942	S563-T933 CarbonylContact O-C 3.52Å; S563-T933 WeakPolarHBondContact O-CA 3.34Å; S563-T933 VanDerWaalsContact O-CG2 3.28Å; S563-T933 WeakPolarHBondContact O-CG2 3.29Å; T933-L935 PolarHBondContact O-N 2.95Å; T933-S942 PolarHBondContact N-O 3.43Å; T933-S942 PolarHBondContact O-N 3.06Å
934	K	81.9	Confident	85.1	Confident	71 Å²	71	35.6 Å²	35.6	31%	0.309	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	112.4	171.6	-167.8	168.7	-178	163.4	0	110.4	T562 S563 T564	T562-K934 HydrophobicContact CG2-CB 3.77Å; S563-K934 PolarHBondContact O-N 3.32Å; T564-K934 HydrophobicContact CG2-CB 3.72Å
935	L	76.4	Confident	85.5	Confident	57 Å²	57	35.2 Å²	35.2	30%	0.298	20%	0.196	S	C	.	.			trans	-77	149.8	173.8	-64.1	-179	0	0	0	111.7	T933 S937 G938 F944	T933-L935 PolarHBondContact O-N 2.95Å; L935-S937 PolarHBondContact O-N 3.48Å; L935-G938 PolarHBondContact O-N 3.45Å; L935-F944 HydrophobicContact CD2-CZ 4.11Å
936	E	66.7	Low	85.8	Confident	94 Å²	94	35.1 Å²	35.1	44%	0.439	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-32.9	-179.1	-65.2	-179.4	169	0	0	113.4	Q395 T566 A567	Q395-E936 PolarHBondContact NE2-O 3.17Å; Q395-E936 PolarHBondContact OE1-O 2.97Å; T566-E936 HydrophobicContact CG2-CG 4.47Å; A567-E936 PolarHBondContact N-OE1 3.43Å
937	S	63.5	Low	86	Confident	99 Å²	99	34.4 Å²	34.4	69%	0.692	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-6.3	179.4	56.1	0	0	0	0	114.4	L935	L935-S937 PolarHBondContact O-N 3.48Å
938	G	66.4	Low	86	Confident	22 Å²	22	34.5 Å²	34.5	23%	0.227	19%	0.193	C	C	.	.			trans	-89.4	134.4	-171.1	0	0	0	0	0	114.2	L935	L935-G938 PolarHBondContact O-N 3.45Å
939	S	71.9	Confident	85.9	Confident	102 Å²	102	34.6 Å²	34.6	71%	0.713	19%	0.194	S	C	*	.	S	Bend	trans	-73.3	-31.8	170.3	-65.7	0	0	0	0	112.4
940	Y	82.9	Confident	85.6	Confident	98 Å²	98	35 Å²	35	38%	0.384	20%	0.196	S	C	.	.	S	Bend	trans	-121.2	152.4	178.6	-56	-66.8	0	0	0	109.7	R907	R907-Y940 HydrophobicContact CB-CD1 3.8Å; R907-Y940 HydrophobicContact CB-CE1 3.99Å; R907-Y940 HydrophobicContact CB-CG 4.24Å
941	P	87.2	Confident	85.3	Confident	13 Å²	13	34.7 Å²	34.7	8%	0.084	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-59.5	146.3	171.4	27	-35	0	0	0	111.1	T562 R907 A908 N909 K932	T562-P941 HydrophobicContact CG2-CB 3.85Å; R907-P941 WeakPolarHBondContact O-CD 3.34Å; A908-P941 CarbonylContact C-O 3.56Å; A908-P941 VanDerWaalsContact CA-O 3.29Å; A908-P941 WeakPolarHBondContact CA-O 3.31Å; A908-P941 HydrophobicContact CB-CG 4.48Å; N909-P941 PolarHBondContact N-O 2.76Å; K932-P941 HydrophobicContact CD-CB 4.2Å; K932-P941 HydrophobicContact CD-CG 4.18Å; K932-P941 HydrophobicContact CG-CB 3.79Å; K932-P941 HydrophobicContact CG-CG 4.32Å
942	S	91.1	Very high	85.3	Confident	7 Å²	7	32.9 Å²	32.9	5%	0.049	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	135.5	174.8	-57	0	0	0	0	109.9	N909 K932 T933 F944	N909-S942 CarbonylContact O-C 3.57Å; N909-S942 VanDerWaalsContact O-CA 3.23Å; N909-S942 WeakPolarHBondContact O-CA 3.41Å; K932-S942 WeakPolarHBondContact CA-O 3.49Å; T933-S942 PolarHBondContact N-O 3.43Å; T933-S942 PolarHBondContact O-N 3.06Å; S942-F944 WeakPolarHBondContact O-CD2 3.17Å; S942-F944 WeakPolarHBondContact O-CE2 3.36Å
943	I	93.4	Very high	85.4	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	143	169.5	63.3	161.8	0	0	0	110	V882 A908 N909 I910 H911 M927 Y929 T931 K932	V882-I943 HydrophobicContact CG1-CG2 4.29Å; V882-I943 HydrophobicContact CG2-CD1 3.83Å; A908-I943 HydrophobicContact CB-CG2 4.23Å; N909-I943 WeakPolarHBondContact O-CG1 3.22Å; N909-I943 PolarHBondContact O-N 2.84Å; I910-I943 HydrophobicContact CB-CG1 4.48Å; I910-I943 HydrophobicContact CG1-CD1 4.18Å; I910-I943 HydrophobicContact CG1-CG1 4.2Å; H911-I943 VanDerWaalsContact CB-O 3.23Å; H911-I943 WeakPolarHBondContact CB-O 3.19Å; H911-I943 PolarHBondContact N-O 3.2Å; M927-I943 HydrophobicContact CE-CD1 3.96Å; Y929-I943 HydrophobicContact CD1-CB 4.38Å; Y929-I943 HydrophobicContact CD1-CD1 4.41Å; Y929-I943 HydrophobicContact CD1-CG2 3.9Å; Y929-I943 HydrophobicContact CD2-CB 4.27Å; Y929-I943 HydrophobicContact CD2-CG2 4.03Å; Y929-I943 HydrophobicContact CE1-CG2 4.16Å; Y929-I943 HydrophobicContact CE2-CG2 4.32Å; Y929-I943 HydrophobicContact CG-CB 3.94Å; Y929-I943 HydrophobicContact CG-CD1 4.46Å; Y929-I943 HydrophobicContact CG-CG2 3.82Å; T931-I943 CarbonylContact O-C 3.53Å; T931-I943 WeakPolarHBondContact O-CA 3.42Å; K932-I943 HydrophobicContact CB-CG2 4.29Å; K932-I943 HydrophobicContact CD-CG2 4.38Å; K932-I943 HydrophobicContact CG-CG2 4.11Å
944	F	92.4	Very high	85.7	Confident	39 Å²	39	31.7 Å²	31.7	17%	0.171	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	153.6	179	-65	-105.7	0	0	0	108.9	H911 F930 T931 L935 S942	H911-F944 HydrophobicContact CB-CD1 3.82Å; H911-F944 HydrophobicContact CB-CD2 4.38Å; H911-F944 HydrophobicContact CB-CE1 3.8Å; H911-F944 HydrophobicContact CB-CE2 4.31Å; H911-F944 HydrophobicContact CB-CG 4.12Å; H911-F944 HydrophobicContact CB-CZ 4.04Å; H911-F944 AromaticContact CD2-CD1 4Å; H911-F944 AromaticContact CD2-CE1 3.09Å; H911-F944 WeakPolarHBondContact CD2-CE1 3.35Å; H911-F944 AromaticContact CD2-CZ 3.1Å; H911-F944 WeakPolarHBondContact CD2-CZ 3.3Å; H911-F944 AromaticContact CE1-CE1 3.66Å; H911-F944 AromaticContact CG-CD1 3.62Å; H911-F944 AromaticContact CG-CE1 3.18Å; H911-F944 AromaticContact CG-CZ 3.58Å; H911-F944 AromaticContact ND1-CD1 3.91Å; H911-F944 AromaticContact ND1-CE1 3.54Å; H911-F944 AromaticContact NE2-CE1 3.43Å; H911-F944 WeakPolarHBondContact NE2-CE1 3.2Å; H911-F944 AromaticContact NE2-CZ 3.69Å; F930-F944 PolarHBondContact N-O 3.11Å; T931-F944 PolarHBondContact O-N 2.99Å; T931-F944 WeakPolarHBondContact OG1-CB 3.23Å; L935-F944 HydrophobicContact CD2-CZ 4.11Å; S942-F944 WeakPolarHBondContact O-CD2 3.17Å; S942-F944 WeakPolarHBondContact O-CE2 3.36Å
945	D	94.8	Very high	85.8	Confident	32 Å²	32	28.7 Å²	28.7	17%	0.171	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	50.7	77.3	178.2	-48.4	-57.1	0	0	0	111.5	L765 H796 Y929 F930	L765-D945 HydrophobicContact CD2-CB 3.81Å; H796-D945 VanDerWaalsContact CE1-C 3.49Å; H796-D945 PolarHBondContact CE1-O 2.77Å; H796-D945 PolarHBondContact NE2-O 3.26Å; Y929-D945 WeakPolarHBondContact CA-O 3.5Å; F930-D945 HydrophobicContact CB-CB 3.99Å; F930-D945 PolarHBondContact N-O 3.11Å; F930-D945 VanDerWaalsContact N-O 3.08Å
946	S	95.9	Very high	86.3	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	152.6	-169.4	72.1	0	0	0	0	112.8	D795 S914 N916 M927 V928	D795-S946 PolarHBondContact N-O 3.23Å; D795-S946 PolarHBondContact OD2-N 2.98Å; D795-S946 PolarHBondContact OD2-OG 3.2Å; S914-S946 PolarHBondContact OG-OG 3.01Å; N916-S946 PolarHBondContact ND2-OG 3Å; M927-S946 VanDerWaalsContact CE-OG 3.24Å; M927-S946 WeakPolarHBondContact CE-OG 3.34Å; V928-S946 CarbonylContact O-C 3.6Å; V928-S946 VanDerWaalsContact O-CA 3.27Å; V928-S946 WeakPolarHBondContact O-CA 3.25Å
947	T	96.3	Very high	87.4	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	124.8	175.2	-69.4	0	0	0	0	110.4	S794 H796 R870 M927 V928 I949	S794-T947 WeakPolarHBondContact CB-OG1 3.28Å; S794-T947 PolarHBondContact OG-OG1 3.33Å; H796-T947 PolarHBondContact ND1-OG1 2.9Å; R870-T947 HydrophobicContact CB-CG2 4.4Å; R870-T947 HydrophobicContact CG-CG2 3.78Å; M927-T947 CarbonylContact C-O 3.57Å; M927-T947 VanDerWaalsContact CA-O 3.25Å; M927-T947 WeakPolarHBondContact CA-O 3.18Å; V928-T947 PolarHBondContact N-O 3.08Å; V928-T947 PolarHBondContact O-N 2.89Å; T947-I949 HydrophobicContact CG2-CG2 4.28Å
948	V	94.9	Very high	88.3	Confident	2 Å²	2	18.2 Å²	18.2	1%	0.012	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	131.9	171	178.6	0	0	0	0	108.9	F793 R870 I919 I925 M927 P1035	F793-V948 HydrophobicContact CB-CB 4Å; F793-V948 HydrophobicContact CB-CG2 3.72Å; F793-V948 PolarHBondContact O-N 3.16Å; F793-V948 VanDerWaalsContact O-N 3.08Å; R870-V948 WeakPolarHBondContact CD-O 3.33Å; R870-V948 PolarHBondContact NE-O 2.97Å; I919-V948 HydrophobicContact CD1-CG2 3.63Å; I925-V948 HydrophobicContact CD1-CG1 4.28Å; I925-V948 HydrophobicContact CD1-CG2 4.16Å; M927-V948 HydrophobicContact CG-CB 4.37Å; M927-V948 HydrophobicContact CG-CG2 3.78Å; M927-V948 HydrophobicContact SD-CG2 4.19Å; V948-P1035 HydrophobicContact CG1-CG 4.05Å
949	I	93.1	Very high	88.9	Confident	1 Å²	1	18 Å²	18	1%	0.005	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	149.6	179.8	57.8	166.2	0	0	0	110.3	R870 C874 W926 V928 T947 L954	R870-I949 HydrophobicContact CB-CG2 4.35Å; C874-I949 HydrophobicContact CB-CD1 4.15Å; C874-I949 HydrophobicContact CB-CG2 4.32Å; W926-I949 HydrophobicContact CB-CD1 4.34Å; W926-I949 HydrophobicContact CB-CG1 3.87Å; W926-I949 PolarHBondContact O-N 3.43Å; V928-I949 HydrophobicContact CG1-CD1 3.62Å; V928-I949 HydrophobicContact CG1-CG1 4.45Å; V928-I949 HydrophobicContact CG1-CG2 4.46Å; V928-I949 HydrophobicContact CG2-CG2 3.96Å; T947-I949 HydrophobicContact CG2-CG2 4.28Å; I949-L954 HydrophobicContact CD1-CD1 4.15Å; I949-L954 HydrophobicContact CD1-CD2 3.65Å; I949-L954 HydrophobicContact CD1-CG 3.66Å
950	S	90.2	Very high	89.4	Confident	10 Å²	10	18.8 Å²	18.8	7%	0.07	10%	0.097	C	C	.	.			trans	-82.5	176.7	173.1	-46.5	0	0	0	0	111.1	P953 E1032	S950-P953 WeakPolarHBondContact O-CD 3.34Å; S950-E1032 WeakPolarHBondContact CB-OE1 3.43Å; S950-E1032 WeakPolarHBondContact CB-OE2 3.46Å
951	L	88.3	Confident	89.6	Confident	11 Å²	11	15 Å²	15	6%	0.058	8%	0.083	C	C	.	.	H	α-helix	trans	-77.5	-32.1	-172.8	-176.6	62.1	0	0	0	112.7	A58 L954 L955 F979 E1032	A58-L951 HydrophobicContact CB-CD2 4.25Å; L951-L954 HydrophobicContact CD1-CD1 4.35Å; L951-L954 WeakPolarHBondContact O-CB 3.47Å; L951-L954 PolarHBondContact O-N 3.21Å; L951-L954 VanDerWaalsContact O-N 3.16Å; L951-L955 HydrophobicContact CG-CD1 4.15Å; L951-L955 HydrophobicContact CG-CG 4.28Å; L951-L955 WeakPolarHBondContact O-CG 3.35Å; L951-L955 PolarHBondContact O-N 3.44Å; L951-F979 HydrophobicContact CD2-CB 3.82Å; L951-F979 HydrophobicContact CD2-CG 4.3Å; L951-E1032 PolarHBondContact N-OE1 3.31Å; L951-E1032 PolarHBondContact N-OE2 2.96Å
952	R	89.7	Confident	89.6	Confident	4 Å²	4	18.4 Å²	18.4	2%	0.015	10%	0.098	C	C	.	.	H	α-helix	trans	-64.1	-42.7	-178.5	-66.6	178.5	-163.4	161.1	4.2	114	P61 V63 L954 L955 F956 L1028 S1031 E1032	P61-R952 PolarHBondContact O-NE 2.69Å; P61-R952 PolarHBondContact O-NH2 3.01Å; V63-R952 PolarHBondContact O-NH1 3.3Å; V63-R952 PolarHBondContact O-NH2 3.36Å; R952-L954 PolarHBondContact O-N 3.05Å; R952-L955 PolarHBondContact O-N 3.44Å; R952-L955 VanDerWaalsContact O-N 3.12Å; R952-F956 WeakPolarHBondContact O-CB 3.3Å; R952-F956 PolarHBondContact O-N 2.76Å; R952-L1028 WeakPolarHBondContact CD-O 3.44Å; R952-L1028 PolarHBondContact NH1-O 3.28Å; R952-S1031 PolarHBondContact NH1-OG 2.99Å; R952-E1032 WeakPolarHBondContact CB-OE2 3.44Å; R952-E1032 HydrophobicContact CG-CB 4.47Å; R952-E1032 WeakPolarHBondContact CG-OE2 3.38Å; R952-E1032 PolarHBondContact N-OE2 3.47Å; R952-E1032 VanDerWaalsContact NH1-N 3.15Å
953	P	92	Very high	89.4	Confident	4 Å²	4	21.6 Å²	21.6	3%	0.026	11%	0.114	C	C	.	.	H	α-helix	trans	-54.5	-39.1	171	-29.7	36.1	0	0	0	113.7	A871 C874 S950 F956 F957 L1029	A871-P953 HydrophobicContact CB-CB 4.05Å; A871-P953 HydrophobicContact CB-CG 3.88Å; C874-P953 HydrophobicContact CB-CB 3.87Å; S950-P953 WeakPolarHBondContact O-CD 3.34Å; P953-F956 PolarHBondContact O-N 2.85Å; P953-F957 WeakPolarHBondContact O-CB 3.32Å; P953-F957 WeakPolarHBondContact O-CD2 3.28Å; P953-F957 PolarHBondContact O-N 2.77Å; P953-L1029 HydrophobicContact CG-CD2 4.3Å
954	L	90	Very high	88.8	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.5	-54.6	172.9	-71.8	169.9	0	0	0	109.7	Y878 V881 W926 I949 L951 R952 F956 F957 S958 I973 I977	Y878-L954 HydrophobicContact CD2-CD2 4.44Å; Y878-L954 HydrophobicContact CE2-CD2 4.44Å; V881-L954 HydrophobicContact CG1-CD2 4.08Å; V881-L954 HydrophobicContact CG2-CD2 3.95Å; W926-L954 HydrophobicContact CB-CD1 3.73Å; W926-L954 HydrophobicContact CD2-CD1 3.78Å; W926-L954 HydrophobicContact CE3-CD1 4.3Å; W926-L954 HydrophobicContact CG-CD1 3.47Å; W926-L954 VanDerWaalsContact CG-CD1 3.47Å; I949-L954 HydrophobicContact CD1-CD1 4.15Å; I949-L954 HydrophobicContact CD1-CD2 3.65Å; I949-L954 HydrophobicContact CD1-CG 3.66Å; L951-L954 HydrophobicContact CD1-CD1 4.35Å; L951-L954 WeakPolarHBondContact O-CB 3.47Å; L951-L954 PolarHBondContact O-N 3.21Å; L951-L954 VanDerWaalsContact O-N 3.16Å; R952-L954 PolarHBondContact O-N 3.05Å; L954-F956 PolarHBondContact O-N 2.94Å; L954-F956 VanDerWaalsContact O-N 3.09Å; L954-F957 PolarHBondContact O-N 2.9Å; L954-S958 WeakPolarHBondContact O-CB 3.42Å; L954-S958 PolarHBondContact O-N 3.15Å; L954-S958 PolarHBondContact O-OG 3.05Å; L954-I973 HydrophobicContact CB-CD1 4.31Å; L954-I977 HydrophobicContact CD1-CD1 4.47Å; L954-I977 HydrophobicContact CD1-CG2 4.5Å; L954-I977 HydrophobicContact CD2-CD1 4.27Å
955	L	85.8	Confident	88.1	Confident	8 Å²	8	30.3 Å²	30.3	4%	0.042	16%	0.156	C	C	.	.	H	α-helix	trans	-53	-37.5	-179.9	-64.7	170.3	0	0	0	113.2	M60 L951 R952 I961 I973 F979 L989	M60-L955 HydrophobicContact CG-CD1 3.91Å; M60-L955 HydrophobicContact SD-CD1 3.65Å; L951-L955 HydrophobicContact CG-CD1 4.15Å; L951-L955 HydrophobicContact CG-CG 4.28Å; L951-L955 WeakPolarHBondContact O-CG 3.35Å; L951-L955 PolarHBondContact O-N 3.44Å; R952-L955 PolarHBondContact O-N 3.44Å; R952-L955 VanDerWaalsContact O-N 3.12Å; L955-I961 HydrophobicContact CD2-CD1 4.31Å; L955-I973 HydrophobicContact CD2-CD1 3.81Å; L955-I973 HydrophobicContact CD2-CG1 4.43Å; L955-F979 HydrophobicContact CD1-CE2 4.43Å; L955-F979 HydrophobicContact CD2-CD1 3.91Å; L955-F979 HydrophobicContact CD2-CD2 4.17Å; L955-F979 HydrophobicContact CD2-CE1 3.29Å; L955-F979 HydrophobicContact CD2-CE2 3.59Å; L955-F979 HydrophobicContact CD2-CG 4.31Å; L955-F979 HydrophobicContact CD2-CZ 3.11Å; L955-F979 HydrophobicContact CG-CZ 4.49Å; L955-L989 HydrophobicContact CD1-CD1 4.49Å
956	F	86.5	Confident	87.3	Confident	4 Å²	4	36.2 Å²	36.2	2%	0.018	19%	0.188	C	C	.	.	H	α-helix	trans	-84.8	-35	-174	-146.3	-113.4	0	0	0	114.1	R952 P953 L954 L992 R993 M996 I1025 L1028 L1029	R952-F956 WeakPolarHBondContact O-CB 3.3Å; R952-F956 PolarHBondContact O-N 2.76Å; P953-F956 PolarHBondContact O-N 2.85Å; L954-F956 PolarHBondContact O-N 2.94Å; L954-F956 VanDerWaalsContact O-N 3.09Å; F956-L992 HydrophobicContact CE2-CB 4.18Å; F956-L992 HydrophobicContact CE2-CD2 3.96Å; F956-L992 HydrophobicContact CE2-CG 4Å; F956-L992 HydrophobicContact CZ-CD2 4.06Å; F956-L992 HydrophobicContact CZ-CG 3.94Å; F956-R993 HydrophobicContact CD2-CB 4.15Å; F956-R993 HydrophobicContact CE2-CB 3.83Å; F956-R993 HydrophobicContact CZ-CB 4.33Å; F956-R993 WeakPolarHBondContact O-CD 3.32Å; F956-M996 HydrophobicContact CD1-CE 3.67Å; F956-M996 HydrophobicContact CD1-SD 3.79Å; F956-M996 HydrophobicContact CE1-CB 4.12Å; F956-M996 HydrophobicContact CE1-CE 3.52Å; F956-M996 HydrophobicContact CE1-CG 4.26Å; F956-M996 HydrophobicContact CE1-SD 3.29Å; F956-M996 WeakPolarHBondContact CE1-SD 3.19Å; F956-M996 HydrophobicContact CZ-CB 4.18Å; F956-M996 HydrophobicContact CZ-CE 4.3Å; F956-M996 HydrophobicContact CZ-SD 4.27Å; F956-I1025 HydrophobicContact CD1-CG2 4.12Å; F956-I1025 HydrophobicContact CE1-CB 4.27Å; F956-I1025 HydrophobicContact CE1-CD1 4.04Å; F956-I1025 HydrophobicContact CE1-CG1 3.84Å; F956-I1025 HydrophobicContact CE1-CG2 3.49Å; F956-I1025 VanDerWaalsContact CE1-CG2 3.49Å; F956-I1025 HydrophobicContact CZ-CD1 4.14Å; F956-I1025 HydrophobicContact CZ-CG1 3.77Å; F956-I1025 HydrophobicContact CZ-CG2 4.22Å; F956-L1028 HydrophobicContact CD2-CD2 3.95Å; F956-L1028 HydrophobicContact CE2-CD2 3.92Å; F956-L1029 HydrophobicContact CB-CD2 4.06Å; F956-L1029 HydrophobicContact CD1-CD2 4.46Å; F956-L1029 HydrophobicContact CG-CD2 4.42Å
957	F	88.2	Confident	86.7	Confident	21 Å²	21	39.3 Å²	39.3	9%	0.092	20%	0.204	C	C	.	.	H	α-helix	trans	-115	1.3	-173.5	-61.6	-68.6	0	0	0	115.9	F748 F752 A871 A875 P953 L954 M996 L1029	F748-F957 HydrophobicContact CE1-CD1 4.26Å; F748-F957 AromaticContact CE1-CE1 3.98Å; F748-F957 HydrophobicContact CE1-CE1 3.98Å; F752-F957 HydrophobicContact CE2-CE1 4.39Å; F752-F957 HydrophobicContact CE2-CZ 4.32Å; F752-F957 HydrophobicContact CZ-CE1 4.21Å; F752-F957 HydrophobicContact CZ-CZ 4.01Å; A871-F957 HydrophobicContact CB-CE2 4.05Å; A875-F957 HydrophobicContact CB-CB 3.87Å; A875-F957 HydrophobicContact CB-CD1 3.42Å; A875-F957 VanDerWaalsContact CB-CD1 3.42Å; A875-F957 HydrophobicContact CB-CD2 3.81Å; A875-F957 HydrophobicContact CB-CE1 3.78Å; A875-F957 HydrophobicContact CB-CE2 4.15Å; A875-F957 HydrophobicContact CB-CG 3.43Å; A875-F957 VanDerWaalsContact CB-CG 3.43Å; A875-F957 HydrophobicContact CB-CZ 4.13Å; P953-F957 WeakPolarHBondContact O-CB 3.32Å; P953-F957 WeakPolarHBondContact O-CD2 3.28Å; P953-F957 PolarHBondContact O-N 2.77Å; L954-F957 PolarHBondContact O-N 2.9Å; F957-M996 HydrophobicContact CD1-CE 3.92Å; F957-M996 HydrophobicContact CD1-SD 4.38Å; F957-M996 HydrophobicContact CE1-CE 3.74Å; F957-M996 HydrophobicContact CE1-SD 3.6Å; F957-M996 VanDerWaalsContact CE1-SD 3.6Å; F957-M996 HydrophobicContact CZ-SD 4.24Å; F957-L1029 HydrophobicContact CE2-CD1 3.68Å; F957-L1029 HydrophobicContact CE2-CD2 4.18Å; F957-L1029 HydrophobicContact CZ-CD1 3.9Å
958	S	83.3	Confident	86	Confident	4 Å²	4	43.8 Å²	43.8	3%	0.028	23%	0.232	C	C	.	.	S	Bend	trans	-90.4	-166.7	-179.4	66.4	0	0	0	0	113.3	L954 I973 R993	L954-S958 WeakPolarHBondContact O-CB 3.42Å; L954-S958 PolarHBondContact O-N 3.15Å; L954-S958 PolarHBondContact O-OG 3.05Å; S958-I973 WeakPolarHBondContact OG-CD1 3.19Å; S958-I973 WeakPolarHBondContact OG-CG2 3.35Å; S958-R993 PolarHBondContact O-NH1 3.18Å; S958-R993 PolarHBondContact O-NH2 3.49Å
959	G	79.1	Confident	85.6	Confident	17 Å²	17	45.8 Å²	45.8	18%	0.175	25%	0.246	C	C	.	.	S	Bend	trans	-75.1	-150.5	179.4	0	0	0	0	0	115.2	D974 R993	G959-D974 VanDerWaalsContact CA-OD1 3.29Å; G959-D974 WeakPolarHBondContact CA-OD1 3.45Å; G959-R993 PolarHBondContact O-NH1 2.96Å
960	N	82.7	Confident	85.5	Confident	119 Å²	119	47.2 Å²	47.2	64%	0.636	25%	0.253	S	S	*	.			trans	-75.1	129.8	-171	-74.3	-29.6	0	0	0	111.2	I973 D974	N960-I973 WeakPolarHBondContact O-CA 3.4Å; N960-D974 PolarHBondContact N-OD1 3Å; N960-D974 VanDerWaalsContact N-OD1 3.15Å; N960-D974 PolarHBondContact O-N 2.89Å
961	I	85.9	Confident	85.5	Confident	18 Å²	18	46.7 Å²	46.7	9%	0.092	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	108.8	174.8	-56.3	171.6	0	0	0	108.9	L955 F971 I973 F979 V986 K990	L955-I961 HydrophobicContact CD2-CD1 4.31Å; I961-F971 HydrophobicContact CG2-CB 4.33Å; I961-F971 HydrophobicContact CG2-CD1 4.15Å; I961-I973 HydrophobicContact CG1-CG1 4.37Å; I961-F979 HydrophobicContact CG2-CE1 4.33Å; I961-F979 HydrophobicContact CG2-CZ 4.02Å; I961-V986 HydrophobicContact CG2-CG1 4.08Å; I961-K990 VanDerWaalsContact CB-CE 3.48Å; I961-K990 HydrophobicContact CD1-CG 4.25Å; I961-K990 VanDerWaalsContact O-CE 3.3Å; I961-K990 WeakPolarHBondContact O-CE 3.34Å; I961-K990 PolarHBondContact O-NZ 2.97Å
962	E	87.2	Confident	85.5	Confident	85 Å²	85	47.2 Å²	47.2	40%	0.397	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	144.5	177.3	-65.9	175.6	-176	0	0	111	F971 T972	E962-F971 WeakPolarHBondContact O-CA 3.47Å; E962-T972 PolarHBondContact N-O 2.93Å; E962-T972 PolarHBondContact O-N 2.58Å
963	I	86.9	Confident	85.4	Confident	74 Å²	74	47 Å²	47	38%	0.379	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	134.7	174.6	-49.2	-178.8	0	0	0	107.8	K965 F971 L983	I963-K965 PolarHBondContact O-N 2.89Å; I963-F971 HydrophobicContact CB-CD1 4.43Å; I963-F971 HydrophobicContact CB-CE1 4.38Å; I963-F971 HydrophobicContact CD1-CE1 4.25Å; I963-F971 HydrophobicContact CG1-CD1 3.98Å; I963-F971 HydrophobicContact CG1-CE1 3.73Å; I963-F971 HydrophobicContact CG2-CE1 4.23Å; I963-L983 HydrophobicContact CD1-CD1 3.61Å
964	S	81.4	Confident	85	Confident	37 Å²	37	49.3 Å²	49.3	26%	0.259	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-63.6	135.5	174.7	-169.6	0	0	0	0	110.9	N966 D967 L970	S964-N966 PolarHBondContact O-N 3.17Å; S964-D967 PolarHBondContact O-N 3.16Å; S964-L970 WeakPolarHBondContact CB-O 3.45Å; S964-L970 PolarHBondContact N-O 3.02Å
965	K	78.6	Confident	84.7	Confident	185 Å²	185	56.2 Å²	56.2	80%	0.804	30%	0.297	S	S	*	.	S	Bend	trans	-61	-26.5	178.4	-64.1	-175.5	179.7	-177.6	0	113.2	I963	I963-K965 PolarHBondContact O-N 2.89Å
966	N	78.3	Confident	84.6	Confident	157 Å²	157	57.6 Å²	57.6	84%	0.84	30%	0.302	S	S	*	.	S	Bend	trans	-95.3	-23.5	-171.3	-63.3	-8	0	0	0	113.2	S964	S964-N966 PolarHBondContact O-N 3.17Å
967	D	82.1	Confident	84.7	Confident	64 Å²	64	57.4 Å²	57.4	34%	0.342	30%	0.301	S	S	.	.			trans	-153.1	117.1	-173.9	-173.3	-16.9	0	0	0	110.2	S964 S969 L970	S964-D967 PolarHBondContact O-N 3.16Å; D967-S969 PolarHBondContact O-N 3.45Å; D967-S969 VanDerWaalsContact O-N 3.15Å; D967-S969 WeakPolarHBondContact OD1-CB 3.37Å; D967-S969 PolarHBondContact OD1-N 3.38Å; D967-S969 PolarHBondContact OD1-OG 2.88Å; D967-S969 PolarHBondContact OD2-OG 3.33Å; D967-S969 VanDerWaalsContact OD2-OG 3.13Å; D967-L970 HydrophobicContact CB-CB 4.24Å; D967-L970 HydrophobicContact CB-CD1 3.79Å; D967-L970 HydrophobicContact CB-CG 3.81Å; D967-L970 PolarHBondContact O-N 3.16Å
968	T	82.8	Confident	84.7	Confident	94 Å²	94	60 Å²	60	58%	0.577	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-11	180	61.2	0	0	0	0	114.3	F971	T968-F971 VanDerWaalsContact O-CZ 3.23Å; T968-F971 WeakPolarHBondContact O-CZ 3.42Å
969	S	86.2	Confident	85	Confident	44 Å²	44	59.8 Å²	59.8	31%	0.308	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-8.6	173.9	73.8	0	0	0	0	113.4	D967 F971 S980 G981	D967-S969 PolarHBondContact O-N 3.45Å; D967-S969 VanDerWaalsContact O-N 3.15Å; D967-S969 WeakPolarHBondContact OD1-CB 3.37Å; D967-S969 PolarHBondContact OD1-N 3.38Å; D967-S969 PolarHBondContact OD1-OG 2.88Å; D967-S969 PolarHBondContact OD2-OG 3.33Å; D967-S969 VanDerWaalsContact OD2-OG 3.13Å; S969-F971 WeakPolarHBondContact O-CD2 3.43Å; S969-F971 WeakPolarHBondContact O-CE2 3.3Å; S969-S980 CarbonylContact O-C 3.44Å; S969-S980 WeakPolarHBondContact O-CA 3.26Å; S969-G981 WeakPolarHBondContact CA-O 3.34Å; S969-G981 PolarHBondContact O-N 3.18Å
970	L	89.9	Confident	85.5	Confident	31 Å²	31	60.2 Å²	60.2	16%	0.162	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.4	-177.9	-59	-178	0	0	0	110.8	F57 S964 D967	F57-L970 HydrophobicContact CB-CD2 4.24Å; F57-L970 HydrophobicContact CD1-CB 4.33Å; F57-L970 HydrophobicContact CD1-CD2 3.75Å; F57-L970 HydrophobicContact CD1-CG 4.44Å; F57-L970 HydrophobicContact CD2-CD1 4.44Å; F57-L970 HydrophobicContact CD2-CD2 4.07Å; F57-L970 HydrophobicContact CE1-CB 3.97Å; F57-L970 HydrophobicContact CE1-CD1 4.11Å; F57-L970 HydrophobicContact CE1-CD2 4.06Å; F57-L970 HydrophobicContact CE1-CG 4.27Å; F57-L970 HydrophobicContact CE2-CD1 3.96Å; F57-L970 HydrophobicContact CE2-CD2 4.36Å; F57-L970 HydrophobicContact CG-CD2 3.77Å; F57-L970 HydrophobicContact CZ-CB 4.44Å; F57-L970 HydrophobicContact CZ-CD1 3.78Å; F57-L970 HydrophobicContact CZ-CD2 4.37Å; F57-L970 HydrophobicContact CZ-CG 4.43Å; S964-L970 WeakPolarHBondContact CB-O 3.45Å; S964-L970 PolarHBondContact N-O 3.02Å; D967-L970 HydrophobicContact CB-CB 4.24Å; D967-L970 HydrophobicContact CB-CD1 3.79Å; D967-L970 HydrophobicContact CB-CG 3.81Å; D967-L970 PolarHBondContact O-N 3.16Å
971	F	90.1	Very high	85.8	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	154.3	-175.2	-59.6	-93.5	0	0	0	110.7	I961 E962 I963 T968 S969 F979 G981 L983 V986	I961-F971 HydrophobicContact CG2-CB 4.33Å; I961-F971 HydrophobicContact CG2-CD1 4.15Å; E962-F971 WeakPolarHBondContact O-CA 3.47Å; I963-F971 HydrophobicContact CB-CD1 4.43Å; I963-F971 HydrophobicContact CB-CE1 4.38Å; I963-F971 HydrophobicContact CD1-CE1 4.25Å; I963-F971 HydrophobicContact CG1-CD1 3.98Å; I963-F971 HydrophobicContact CG1-CE1 3.73Å; I963-F971 HydrophobicContact CG2-CE1 4.23Å; T968-F971 VanDerWaalsContact O-CZ 3.23Å; T968-F971 WeakPolarHBondContact O-CZ 3.42Å; S969-F971 WeakPolarHBondContact O-CD2 3.43Å; S969-F971 WeakPolarHBondContact O-CE2 3.3Å; F971-F979 HydrophobicContact CB-CD1 3.98Å; F971-F979 HydrophobicContact CB-CD2 4.22Å; F971-F979 HydrophobicContact CB-CE1 3.38Å; F971-F979 HydrophobicContact CB-CE2 3.68Å; F971-F979 HydrophobicContact CB-CG 4.36Å; F971-F979 HydrophobicContact CB-CZ 3.21Å; F971-F979 HydrophobicContact CD2-CD2 4.43Å; F971-F979 AromaticContact CD2-CE2 3.9Å; F971-F979 HydrophobicContact CD2-CE2 3.9Å; F971-F979 HydrophobicContact CD2-CZ 4.23Å; F971-F979 HydrophobicContact CG-CE1 4.42Å; F971-F979 AromaticContact CG-CE2 3.94Å; F971-F979 HydrophobicContact CG-CE2 3.94Å; F971-F979 AromaticContact CG-CZ 3.78Å; F971-F979 HydrophobicContact CG-CZ 3.78Å; F971-F979 PolarHBondContact N-O 3.23Å; F971-F979 PolarHBondContact O-N 3.43Å; F971-G981 WeakPolarHBondContact CE2-O 3.31Å; F971-L983 HydrophobicContact CE1-CD1 3.9Å; F971-L983 HydrophobicContact CZ-CB 4.3Å; F971-L983 HydrophobicContact CZ-CD1 3.85Å; F971-V986 HydrophobicContact CD1-CG1 3.86Å; F971-V986 HydrophobicContact CD2-CG2 4.11Å; F971-V986 HydrophobicContact CE1-CB 4Å; F971-V986 HydrophobicContact CE1-CG1 3.7Å; F971-V986 HydrophobicContact CE1-CG2 4.19Å; F971-V986 HydrophobicContact CE2-CB 4.45Å; F971-V986 HydrophobicContact CE2-CG2 3.81Å; F971-V986 HydrophobicContact CG-CG1 4.44Å; F971-V986 HydrophobicContact CG-CG2 4.48Å; F971-V986 HydrophobicContact CZ-CB 4Å; F971-V986 HydrophobicContact CZ-CG1 4.21Å; F971-V986 HydrophobicContact CZ-CG2 3.86Å
972	T	88.8	Confident	86	Confident	22 Å²	22	59.7 Å²	59.7	14%	0.135	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	133.1	175.9	58.2	0	0	0	0	111	E962 I977 K978	E962-T972 PolarHBondContact N-O 2.93Å; E962-T972 PolarHBondContact O-N 2.58Å; T972-I977 CarbonylContact C-O 3.12Å; T972-I977 VanDerWaalsContact CA-O 3.29Å; T972-I977 WeakPolarHBondContact CA-O 3.32Å; T972-K978 HydrophobicContact CG2-CG 4.01Å
973	I	87.8	Confident	86	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	128.1	167.5	-39.5	177.9	0	0	0	108	L954 L955 S958 N960 I961 Q975 W976 I977 F979	L954-I973 HydrophobicContact CB-CD1 4.31Å; L955-I973 HydrophobicContact CD2-CD1 3.81Å; L955-I973 HydrophobicContact CD2-CG1 4.43Å; S958-I973 WeakPolarHBondContact OG-CD1 3.19Å; S958-I973 WeakPolarHBondContact OG-CG2 3.35Å; N960-I973 WeakPolarHBondContact O-CA 3.4Å; I961-I973 HydrophobicContact CG1-CG1 4.37Å; I973-Q975 PolarHBondContact O-N 3.21Å; I973-W976 PolarHBondContact O-N 3.09Å; I973-W976 VanDerWaalsContact O-N 3.12Å; I973-I977 HydrophobicContact CB-CB 3.96Å; I973-I977 HydrophobicContact CB-CD1 4.44Å; I973-I977 HydrophobicContact CB-CG2 4.5Å; I973-I977 HydrophobicContact CD1-CB 4.42Å; I973-I977 HydrophobicContact CD1-CG2 4.03Å; I973-I977 HydrophobicContact CG1-CB 4.26Å; I973-I977 HydrophobicContact CG1-CG2 4.28Å; I973-I977 PolarHBondContact N-O 3.18Å; I973-I977 PolarHBondContact O-N 2.8Å; I973-F979 HydrophobicContact CD1-CE1 4.27Å; I973-F979 HydrophobicContact CG1-CD1 4.27Å; I973-F979 HydrophobicContact CG1-CE1 3.81Å
974	D	84.4	Confident	86.2	Confident	51 Å²	51	63.5 Å²	63.5	27%	0.273	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.2	33.7	-179.6	-66.5	-8.8	0	0	0	112.8	Y878 G959 N960 W976	Y878-D974 PolarHBondContact OH-OD2 2.9Å; G959-D974 VanDerWaalsContact CA-OD1 3.29Å; G959-D974 WeakPolarHBondContact CA-OD1 3.45Å; N960-D974 PolarHBondContact N-OD1 3Å; N960-D974 VanDerWaalsContact N-OD1 3.15Å; N960-D974 PolarHBondContact O-N 2.89Å; D974-W976 PolarHBondContact O-N 3.12Å
975	Q	82.6	Confident	86.6	Confident	146 Å²	146	61.9 Å²	61.9	68%	0.682	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	2.9	178.5	-52.4	175.9	-0.2	0	0	116.3	I973	I973-Q975 PolarHBondContact O-N 3.21Å
976	W	84.3	Confident	87.2	Confident	37 Å²	37	53.2 Å²	53.2	14%	0.14	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.5	-29.7	-175.4	80.9	-79.4	0	0	0	115.4	V881 K883 P903 W926 I973 D974 K978	V881-W976 HydrophobicContact CB-CH2 4.47Å; V881-W976 HydrophobicContact CB-CZ2 4.31Å; V881-W976 HydrophobicContact CG1-CH2 4.36Å; V881-W976 HydrophobicContact CG1-CZ2 4.49Å; K883-W976 HydrophobicContact CB-CZ3 4.43Å; P903-W976 HydrophobicContact CG-CB 3.72Å; P903-W976 HydrophobicContact CG-CG 4.42Å; W926-W976 HydrophobicContact CE3-CH2 4.46Å; W926-W976 HydrophobicContact CH2-CZ3 4.25Å; W926-W976 HydrophobicContact CZ3-CE3 4.33Å; W926-W976 AromaticContact CZ3-CH2 3.71Å; W926-W976 HydrophobicContact CZ3-CH2 3.71Å; W926-W976 HydrophobicContact CZ3-CZ2 4.48Å; W926-W976 AromaticContact CZ3-CZ3 3.63Å; W926-W976 HydrophobicContact CZ3-CZ3 3.63Å; I973-W976 PolarHBondContact O-N 3.09Å; I973-W976 VanDerWaalsContact O-N 3.12Å; D974-W976 PolarHBondContact O-N 3.12Å; W976-K978 PolarHBondContact O-N 2.92Å
977	I	88.3	Confident	87.8	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	106.2	174.2	-55.5	177	0	0	0	107.6	W926 L954 T972 I973	W926-I977 HydrophobicContact CH2-CB 4.04Å; W926-I977 HydrophobicContact CH2-CG1 3.91Å; W926-I977 HydrophobicContact CH2-CG2 3.77Å; W926-I977 HydrophobicContact CZ2-CB 4.42Å; W926-I977 HydrophobicContact CZ2-CG2 3.67Å; W926-I977 HydrophobicContact CZ3-CD1 4.47Å; W926-I977 HydrophobicContact CZ3-CG1 3.92Å; W926-I977 HydrophobicContact CZ3-CG2 4.35Å; L954-I977 HydrophobicContact CD1-CD1 4.47Å; L954-I977 HydrophobicContact CD1-CG2 4.5Å; L954-I977 HydrophobicContact CD2-CD1 4.27Å; T972-I977 CarbonylContact C-O 3.12Å; T972-I977 VanDerWaalsContact CA-O 3.29Å; T972-I977 WeakPolarHBondContact CA-O 3.32Å; I973-I977 HydrophobicContact CB-CB 3.96Å; I973-I977 HydrophobicContact CB-CD1 4.44Å; I973-I977 HydrophobicContact CB-CG2 4.5Å; I973-I977 HydrophobicContact CD1-CB 4.42Å; I973-I977 HydrophobicContact CD1-CG2 4.03Å; I973-I977 HydrophobicContact CG1-CB 4.26Å; I973-I977 HydrophobicContact CG1-CG2 4.28Å; I973-I977 PolarHBondContact N-O 3.18Å; I973-I977 PolarHBondContact O-N 2.8Å
978	K	87.4	Confident	88.2	Confident	74 Å²	74	47 Å²	47	32%	0.322	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	129.8	-173.2	-55.3	-169.3	179.9	176	0	111.5	T55 F57 A58 T972 W976	T55-K978 HydrophobicContact CG2-CD 4.42Å; F57-K978 HydrophobicContact CD1-CB 3.6Å; F57-K978 HydrophobicContact CE1-CB 3.65Å; F57-K978 HydrophobicContact CE1-CD 3.98Å; F57-K978 HydrophobicContact CE1-CG 4.25Å; F57-K978 HydrophobicContact CG-CB 4.41Å; F57-K978 HydrophobicContact CZ-CB 4.48Å; F57-K978 HydrophobicContact CZ-CD 4.08Å; A58-K978 PolarHBondContact N-O 3.21Å; T972-K978 HydrophobicContact CG2-CG 4.01Å; W976-K978 PolarHBondContact O-N 2.92Å
979	F	89.2	Confident	88.6	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	161.3	177.5	70.8	-82.5	0	0	0	111.7	A58 M60 L951 L955 I961 F971 I973 V986	A58-F979 CarbonylContact O-C 3.47Å; A58-F979 WeakPolarHBondContact O-CA 3.43Å; A58-F979 VanDerWaalsContact O-CB 3.25Å; A58-F979 WeakPolarHBondContact O-CB 3.32Å; M60-F979 HydrophobicContact CB-CD2 4.33Å; L951-F979 HydrophobicContact CD2-CB 3.82Å; L951-F979 HydrophobicContact CD2-CG 4.3Å; L955-F979 HydrophobicContact CD1-CE2 4.43Å; L955-F979 HydrophobicContact CD2-CD1 3.91Å; L955-F979 HydrophobicContact CD2-CD2 4.17Å; L955-F979 HydrophobicContact CD2-CE1 3.29Å; L955-F979 HydrophobicContact CD2-CE2 3.59Å; L955-F979 HydrophobicContact CD2-CG 4.31Å; L955-F979 HydrophobicContact CD2-CZ 3.11Å; L955-F979 HydrophobicContact CG-CZ 4.49Å; I961-F979 HydrophobicContact CG2-CE1 4.33Å; I961-F979 HydrophobicContact CG2-CZ 4.02Å; F971-F979 HydrophobicContact CB-CD1 3.98Å; F971-F979 HydrophobicContact CB-CD2 4.22Å; F971-F979 HydrophobicContact CB-CE1 3.38Å; F971-F979 HydrophobicContact CB-CE2 3.68Å; F971-F979 HydrophobicContact CB-CG 4.36Å; F971-F979 HydrophobicContact CB-CZ 3.21Å; F971-F979 HydrophobicContact CD2-CD2 4.43Å; F971-F979 AromaticContact CD2-CE2 3.9Å; F971-F979 HydrophobicContact CD2-CE2 3.9Å; F971-F979 HydrophobicContact CD2-CZ 4.23Å; F971-F979 HydrophobicContact CG-CE1 4.42Å; F971-F979 AromaticContact CG-CE2 3.94Å; F971-F979 HydrophobicContact CG-CE2 3.94Å; F971-F979 AromaticContact CG-CZ 3.78Å; F971-F979 HydrophobicContact CG-CZ 3.78Å; F971-F979 PolarHBondContact N-O 3.23Å; F971-F979 PolarHBondContact O-N 3.43Å; I973-F979 HydrophobicContact CD1-CE1 4.27Å; I973-F979 HydrophobicContact CG1-CD1 4.27Å; I973-F979 HydrophobicContact CG1-CE1 3.81Å; F979-V986 HydrophobicContact CE2-CG2 4.04Å
980	S	89.6	Confident	88.8	Confident	27 Å²	27	43.5 Å²	43.5	19%	0.189	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	146.8	173	65.1	0	0	0	0	111	A58 S59 M60 S969	A58-S980 PolarHBondContact O-N 3.41Å; S59-S980 WeakPolarHBondContact CA-OG 3.48Å; M60-S980 VanDerWaalsContact CB-O 3.31Å; M60-S980 WeakPolarHBondContact CB-O 3.28Å; M60-S980 PolarHBondContact N-O 3.43Å; S969-S980 CarbonylContact O-C 3.44Å; S969-S980 WeakPolarHBondContact O-CA 3.26Å
981	G	88.9	Confident	89	Confident	14 Å²	14	44.9 Å²	44.9	14%	0.144	22%	0.22	C	C	.	.			trans	-170.9	170.9	-179.7	0	0	0	0	0	112.8	S969 F971	S969-G981 WeakPolarHBondContact CA-O 3.34Å; S969-G981 PolarHBondContact O-N 3.18Å; F971-G981 WeakPolarHBondContact CE2-O 3.31Å
982	E	90.3	Very high	89.2	Confident	112 Å²	112	44.9 Å²	44.9	52%	0.523	22%	0.22	S	C	.	.			trans	-76.9	126.7	173.3	-69.5	-177.9	-154.3	0	0	110.6	K984 V985 V986	E982-K984 PolarHBondContact O-N 2.77Å; E982-K984 VanDerWaalsContact O-N 3.17Å; E982-V985 HydrophobicContact CB-CB 4.32Å; E982-V985 HydrophobicContact CB-CG2 3.92Å; E982-V985 PolarHBondContact O-N 3.09Å; E982-V986 PolarHBondContact O-N 2.83Å
983	L	88.7	Confident	89.3	Confident	61 Å²	61	45.5 Å²	45.5	32%	0.319	22%	0.22	S	C	.	.	H	α-helix	trans	-52.9	-40	-179.4	179.4	61.8	0	0	0	113.2	I963 F971 V985 V986 N987	I963-L983 HydrophobicContact CD1-CD1 3.61Å; F971-L983 HydrophobicContact CE1-CD1 3.9Å; F971-L983 HydrophobicContact CZ-CB 4.3Å; F971-L983 HydrophobicContact CZ-CD1 3.85Å; L983-V985 PolarHBondContact O-N 3Å; L983-V986 PolarHBondContact O-N 3.14Å; L983-N987 WeakPolarHBondContact O-CB 3.42Å; L983-N987 VanDerWaalsContact O-CG 3.27Å; L983-N987 PolarHBondContact O-N 3.21Å; L983-N987 PolarHBondContact O-ND2 2.61Å
984	K	90.1	Very high	89.5	Confident	177 Å²	177	52 Å²	52	77%	0.77	25%	0.248	S	C	*	.	H	α-helix	trans	-60.2	-44.8	177	-68.8	-176.5	-179.6	179.2	0	111.8	E982 L988	E982-K984 PolarHBondContact O-N 2.77Å; E982-K984 VanDerWaalsContact O-N 3.17Å; K984-L988 WeakPolarHBondContact O-CB 3.39Å; K984-L988 PolarHBondContact O-N 3.2Å
985	V	90.8	Very high	90	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.024	24%	0.241	C	C	.	.	H	α-helix	trans	-70	-43.4	-179.6	-175	0	0	0	0	110.4	M60 L62 L65 L67 E982 L983 N987 L988 L989	M60-V985 HydrophobicContact CE-CB 3.82Å; M60-V985 HydrophobicContact CE-CG1 3.32Å; L62-V985 HydrophobicContact CD2-CB 4.46Å; L62-V985 HydrophobicContact CD2-CG1 4.06Å; L62-V985 HydrophobicContact CD2-CG2 4.19Å; L65-V985 HydrophobicContact CD1-CG1 3.92Å; L67-V985 HydrophobicContact CD1-CG2 4.11Å; L67-V985 HydrophobicContact CD2-CG1 3.99Å; L67-V985 HydrophobicContact CD2-CG2 4.34Å; E982-V985 HydrophobicContact CB-CB 4.32Å; E982-V985 HydrophobicContact CB-CG2 3.92Å; E982-V985 PolarHBondContact O-N 3.09Å; L983-V985 PolarHBondContact O-N 3Å; V985-N987 VanDerWaalsContact C-N 3.33Å; V985-N987 PolarHBondContact O-N 2.82Å; V985-L988 WeakPolarHBondContact O-CB 3.03Å; V985-L988 PolarHBondContact O-N 2.81Å; V985-L989 HydrophobicContact CG1-CD1 4.46Å; V985-L989 WeakPolarHBondContact O-CG 3.33Å; V985-L989 PolarHBondContact O-N 3.41Å
986	V	90.5	Very high	90.4	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.018	21%	0.209	C	C	.	.	H	α-helix	trans	-61.6	-41.5	177.5	176.6	0	0	0	0	111.5	M60 I961 F971 F979 E982 L983 L989 K990	M60-V986 HydrophobicContact CE-CG2 4.48Å; M60-V986 HydrophobicContact SD-CG2 4.24Å; I961-V986 HydrophobicContact CG2-CG1 4.08Å; F971-V986 HydrophobicContact CD1-CG1 3.86Å; F971-V986 HydrophobicContact CD2-CG2 4.11Å; F971-V986 HydrophobicContact CE1-CB 4Å; F971-V986 HydrophobicContact CE1-CG1 3.7Å; F971-V986 HydrophobicContact CE1-CG2 4.19Å; F971-V986 HydrophobicContact CE2-CB 4.45Å; F971-V986 HydrophobicContact CE2-CG2 3.81Å; F971-V986 HydrophobicContact CG-CG1 4.44Å; F971-V986 HydrophobicContact CG-CG2 4.48Å; F971-V986 HydrophobicContact CZ-CB 4Å; F971-V986 HydrophobicContact CZ-CG1 4.21Å; F971-V986 HydrophobicContact CZ-CG2 3.86Å; F979-V986 HydrophobicContact CE2-CG2 4.04Å; E982-V986 PolarHBondContact O-N 2.83Å; L983-V986 PolarHBondContact O-N 3.14Å; V986-L989 PolarHBondContact O-N 2.87Å; V986-K990 WeakPolarHBondContact O-CG 3.38Å; V986-K990 PolarHBondContact O-N 3.4Å
987	N	90.7	Very high	90.8	Very high	64 Å²	64	44.2 Å²	44.2	34%	0.342	22%	0.215	S	C	.	.	H	α-helix	trans	-64.9	-41.6	175.3	-73.1	-17.1	0	0	0	111.9	L983 V985 L989 K990 D991	L983-N987 WeakPolarHBondContact O-CB 3.42Å; L983-N987 VanDerWaalsContact O-CG 3.27Å; L983-N987 PolarHBondContact O-N 3.21Å; L983-N987 PolarHBondContact O-ND2 2.61Å; V985-N987 VanDerWaalsContact C-N 3.33Å; V985-N987 PolarHBondContact O-N 2.82Å; N987-L989 VanDerWaalsContact C-N 3.3Å; N987-L989 PolarHBondContact O-N 3.42Å; N987-K990 WeakPolarHBondContact O-CB 3.49Å; N987-K990 PolarHBondContact O-N 3.24Å; N987-K990 VanDerWaalsContact O-N 3.15Å; N987-D991 PolarHBondContact O-N 3.04Å
988	L	91.6	Very high	90.9	Very high	27 Å²	27	46.3 Å²	46.3	14%	0.141	24%	0.237	C	C	.	.	H	α-helix	trans	-60.8	-40.5	175.7	-166.2	73.6	0	0	0	111.9	L67 I70 Q71 I74 K984 V985 D991 L992	L67-L988 HydrophobicContact CB-CD2 4.11Å; L67-L988 HydrophobicContact CD2-CD2 3.73Å; I70-L988 HydrophobicContact CB-CD2 3.91Å; I70-L988 HydrophobicContact CB-CG 4.4Å; I70-L988 HydrophobicContact CG2-CD1 4.22Å; I70-L988 HydrophobicContact CG2-CD2 3.64Å; I70-L988 HydrophobicContact CG2-CG 3.59Å; Q71-L988 HydrophobicContact CB-CD1 4.11Å; Q71-L988 HydrophobicContact CG-CD1 4.49Å; I74-L988 HydrophobicContact CD1-CD1 3.53Å; I74-L988 HydrophobicContact CD1-CG 3.97Å; I74-L988 WeakPolarHBondContact CD1-O 3.49Å; K984-L988 WeakPolarHBondContact O-CB 3.39Å; K984-L988 PolarHBondContact O-N 3.2Å; V985-L988 WeakPolarHBondContact O-CB 3.03Å; V985-L988 PolarHBondContact O-N 2.81Å; L988-D991 PolarHBondContact O-N 3.16Å; L988-L992 WeakPolarHBondContact O-CB 3.48Å; L988-L992 PolarHBondContact O-N 2.9Å
989	L	90.8	Very high	91.2	Very high	10 Å²	10	43.3 Å²	43.3	5%	0.052	23%	0.225	C	C	.	.	H	α-helix	trans	-67.2	-37.6	174.8	-65.6	179.3	0	0	0	112.4	M60 L955 V985 V986 N987 D991 R993 L1028	M60-L989 HydrophobicContact CE-CD1 4.31Å; M60-L989 HydrophobicContact SD-CD1 3.85Å; L955-L989 HydrophobicContact CD1-CD1 4.49Å; V985-L989 HydrophobicContact CG1-CD1 4.46Å; V985-L989 WeakPolarHBondContact O-CG 3.33Å; V985-L989 PolarHBondContact O-N 3.41Å; V986-L989 PolarHBondContact O-N 2.87Å; N987-L989 VanDerWaalsContact C-N 3.3Å; N987-L989 PolarHBondContact O-N 3.42Å; L989-D991 VanDerWaalsContact C-N 3.35Å; L989-R993 VanDerWaalsContact O-CB 3.29Å; L989-R993 WeakPolarHBondContact O-CB 3.4Å; L989-R993 PolarHBondContact O-N 3.24Å; L989-L1028 HydrophobicContact CD2-CD1 3.59Å; L989-L1028 HydrophobicContact CD2-CD2 3.61Å; L989-L1028 HydrophobicContact CD2-CG 4.27Å
990	K	90.9	Very high	91.4	Very high	54 Å²	54	44 Å²	44	24%	0.235	23%	0.228	C	C	.	.	H	α-helix	trans	-61.1	-43.6	172.5	-78.2	177.4	163.8	-174.4	0	111.6	I961 V986 N987 R993 K994	I961-K990 VanDerWaalsContact CB-CE 3.48Å; I961-K990 HydrophobicContact CD1-CG 4.25Å; I961-K990 VanDerWaalsContact O-CE 3.3Å; I961-K990 WeakPolarHBondContact O-CE 3.34Å; I961-K990 PolarHBondContact O-NZ 2.97Å; V986-K990 WeakPolarHBondContact O-CG 3.38Å; V986-K990 PolarHBondContact O-N 3.4Å; N987-K990 WeakPolarHBondContact O-CB 3.49Å; N987-K990 PolarHBondContact O-N 3.24Å; N987-K990 VanDerWaalsContact O-N 3.15Å; K990-R993 WeakPolarHBondContact O-CB 3.35Å; K990-R993 PolarHBondContact O-N 3.21Å; K990-K994 WeakPolarHBondContact O-CG 3.43Å; K990-K994 PolarHBondContact O-N 3.46Å
991	D	92.9	Very high	91.5	Very high	59 Å²	59	45.6 Å²	45.6	32%	0.316	23%	0.233	S	C	.	.	H	α-helix	trans	-70.9	-40.3	-179.5	-66.8	-27.5	0	0	0	111.4	I74 N987 L988 L989 R993 K994 C995	I74-D991 HydrophobicContact CD1-CB 4.01Å; I74-D991 HydrophobicContact CG2-CB 4.2Å; N987-D991 PolarHBondContact O-N 3.04Å; L988-D991 PolarHBondContact O-N 3.16Å; L989-D991 VanDerWaalsContact C-N 3.35Å; D991-R993 VanDerWaalsContact C-N 3.29Å; D991-R993 PolarHBondContact O-N 3.07Å; D991-K994 WeakPolarHBondContact O-CB 3.25Å; D991-K994 PolarHBondContact O-N 2.85Å; D991-K994 IonicContact OD1-NZ 3.7Å; D991-K994 PolarHBondContact OD1-NZ 3.07Å; D991-C995 PolarHBondContact O-N 3.17Å; D991-C995 VanDerWaalsContact O-N 3.13Å; D991-C995 PolarHBondContact O-SG 3Å; D991-C995 VanDerWaalsContact O-SG 3.36Å
992	L	93.6	Very high	91.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.7	-39.9	171.5	-174.4	67.2	0	0	0	111.9	I70 V73 I74 F956 L988 K994 C995 M996 L1021 T1024 I1025 L1028	I70-L992 HydrophobicContact CG1-CD2 4.42Å; I70-L992 HydrophobicContact CG2-CB 4.15Å; I70-L992 HydrophobicContact CG2-CD1 4.34Å; I70-L992 HydrophobicContact CG2-CD2 4.01Å; I70-L992 HydrophobicContact CG2-CG 4.39Å; V73-L992 HydrophobicContact CG1-CD1 4.49Å; I74-L992 HydrophobicContact CD1-CB 4.09Å; I74-L992 HydrophobicContact CG1-CB 4.22Å; I74-L992 HydrophobicContact CG1-CD1 4.22Å; F956-L992 HydrophobicContact CE2-CB 4.18Å; F956-L992 HydrophobicContact CE2-CD2 3.96Å; F956-L992 HydrophobicContact CE2-CG 4Å; F956-L992 HydrophobicContact CZ-CD2 4.06Å; F956-L992 HydrophobicContact CZ-CG 3.94Å; L988-L992 WeakPolarHBondContact O-CB 3.48Å; L988-L992 PolarHBondContact O-N 2.9Å; L992-K994 VanDerWaalsContact C-N 3.35Å; L992-C995 WeakPolarHBondContact O-CB 3.39Å; L992-C995 PolarHBondContact O-N 2.76Å; L992-M996 PolarHBondContact O-N 3.41Å; L992-L1021 HydrophobicContact CD1-CD1 3.68Å; L992-T1024 HydrophobicContact CD1-CG2 4.46Å; L992-I1025 HydrophobicContact CD2-CG1 4.32Å; L992-I1025 HydrophobicContact CG-CG1 4.37Å; L992-L1028 HydrophobicContact CD2-CD2 3.67Å
993	R	92.6	Very high	91.8	Very high	36 Å²	36	46.3 Å²	46.3	14%	0.136	23%	0.232	C	C	.	.	H	α-helix	trans	-60.9	-42.3	174.9	176.1	-178.8	167.8	173.6	1.1	111.4	F956 S958 G959 L989 K990 D991 C995 M996 D997	F956-R993 HydrophobicContact CD2-CB 4.15Å; F956-R993 HydrophobicContact CE2-CB 3.83Å; F956-R993 HydrophobicContact CZ-CB 4.33Å; F956-R993 WeakPolarHBondContact O-CD 3.32Å; S958-R993 PolarHBondContact O-NH1 3.18Å; S958-R993 PolarHBondContact O-NH2 3.49Å; G959-R993 PolarHBondContact O-NH1 2.96Å; L989-R993 VanDerWaalsContact O-CB 3.29Å; L989-R993 WeakPolarHBondContact O-CB 3.4Å; L989-R993 PolarHBondContact O-N 3.24Å; K990-R993 WeakPolarHBondContact O-CB 3.35Å; K990-R993 PolarHBondContact O-N 3.21Å; D991-R993 VanDerWaalsContact C-N 3.29Å; D991-R993 PolarHBondContact O-N 3.07Å; R993-C995 VanDerWaalsContact C-N 3.31Å; R993-C995 PolarHBondContact O-N 3.31Å; R993-M996 HydrophobicContact CG-CE 4.44Å; R993-M996 WeakPolarHBondContact O-CB 3.4Å; R993-M996 PolarHBondContact O-N 2.92Å; R993-M996 VanDerWaalsContact O-N 3.14Å; R993-D997 IonicContact NE-OD2 3.72Å; R993-D997 VanDerWaalsContact O-CG 3.32Å; R993-D997 PolarHBondContact O-N 3.29Å
994	K	91.8	Very high	92	Very high	135 Å²	135	43.9 Å²	43.9	59%	0.587	22%	0.219	S	C	*	.	H	α-helix	trans	-59.4	-40.9	174.1	-68	171	-169.4	156.9	0	112.1	K990 D991 L992 M996 D997 G998	K990-K994 WeakPolarHBondContact O-CG 3.43Å; K990-K994 PolarHBondContact O-N 3.46Å; D991-K994 WeakPolarHBondContact O-CB 3.25Å; D991-K994 PolarHBondContact O-N 2.85Å; D991-K994 IonicContact OD1-NZ 3.7Å; D991-K994 PolarHBondContact OD1-NZ 3.07Å; L992-K994 VanDerWaalsContact C-N 3.35Å; K994-M996 VanDerWaalsContact C-N 3.34Å; K994-D997 PolarHBondContact O-N 2.93Å; K994-G998 PolarHBondContact O-N 3.13Å
995	C	94.2	Very high	92	Very high	17 Å²	17	40.6 Å²	40.6	12%	0.115	21%	0.205	C	C	.	.	H	α-helix	trans	-61.3	-43	175.1	-59	0	0	0	0	111.4	F77 D991 L992 R993 L999 L1021	F77-C995 HydrophobicContact CB-CB 4.28Å; F77-C995 HydrophobicContact CG-CB 4.24Å; D991-C995 PolarHBondContact O-N 3.17Å; D991-C995 VanDerWaalsContact O-N 3.13Å; D991-C995 PolarHBondContact O-SG 3Å; D991-C995 VanDerWaalsContact O-SG 3.36Å; L992-C995 WeakPolarHBondContact O-CB 3.39Å; L992-C995 PolarHBondContact O-N 2.76Å; R993-C995 VanDerWaalsContact C-N 3.31Å; R993-C995 PolarHBondContact O-N 3.31Å; C995-L999 PolarHBondContact O-N 3.26Å; C995-L1021 HydrophobicContact CB-CD1 3.92Å; C995-L1021 HydrophobicContact CB-CD2 4.08Å
996	M	92.3	Very high	92	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-62.2	-50.3	174.1	-177.1	-172.1	58.6	0	0	111.5	F752 F956 F957 L992 R993 K994 G998 L999 L1000 I1025	F752-M996 HydrophobicContact CZ-SD 4.16Å; F956-M996 HydrophobicContact CD1-CE 3.67Å; F956-M996 HydrophobicContact CD1-SD 3.79Å; F956-M996 HydrophobicContact CE1-CB 4.12Å; F956-M996 HydrophobicContact CE1-CE 3.52Å; F956-M996 HydrophobicContact CE1-CG 4.26Å; F956-M996 HydrophobicContact CE1-SD 3.29Å; F956-M996 WeakPolarHBondContact CE1-SD 3.19Å; F956-M996 HydrophobicContact CZ-CB 4.18Å; F956-M996 HydrophobicContact CZ-CE 4.3Å; F956-M996 HydrophobicContact CZ-SD 4.27Å; F957-M996 HydrophobicContact CD1-CE 3.92Å; F957-M996 HydrophobicContact CD1-SD 4.38Å; F957-M996 HydrophobicContact CE1-CE 3.74Å; F957-M996 HydrophobicContact CE1-SD 3.6Å; F957-M996 VanDerWaalsContact CE1-SD 3.6Å; F957-M996 HydrophobicContact CZ-SD 4.24Å; L992-M996 PolarHBondContact O-N 3.41Å; R993-M996 HydrophobicContact CG-CE 4.44Å; R993-M996 WeakPolarHBondContact O-CB 3.4Å; R993-M996 PolarHBondContact O-N 2.92Å; R993-M996 VanDerWaalsContact O-N 3.14Å; K994-M996 VanDerWaalsContact C-N 3.34Å; M996-G998 PolarHBondContact O-N 2.91Å; M996-L999 WeakPolarHBondContact O-CB 3.46Å; M996-L999 PolarHBondContact O-N 3.04Å; M996-L999 VanDerWaalsContact O-N 3.09Å; M996-L1000 HydrophobicContact CE-CD1 4.29Å; M996-L1000 HydrophobicContact CG-CD1 3.83Å; M996-L1000 HydrophobicContact CG-CG 4.02Å; M996-L1000 WeakPolarHBondContact O-CB 3.4Å; M996-L1000 WeakPolarHBondContact O-CG 3.34Å; M996-L1000 PolarHBondContact O-N 3.4Å; M996-L1000 HydrophobicContact SD-CD1 4.05Å; M996-I1025 HydrophobicContact CB-CD1 3.67Å; M996-I1025 HydrophobicContact CG-CD1 3.81Å; M996-I1025 HydrophobicContact SD-CD1 4.24Å
997	D	91.1	Very high	92.1	Very high	52 Å²	52	44.5 Å²	44.5	28%	0.278	23%	0.232	S	C	.	.	H	α-helix	trans	-59.1	-39.1	-178	-70.5	-24	0	0	0	110.5	R993 K994 L1000 E1001	R993-D997 IonicContact NE-OD2 3.72Å; R993-D997 VanDerWaalsContact O-CG 3.32Å; R993-D997 PolarHBondContact O-N 3.29Å; K994-D997 PolarHBondContact O-N 2.93Å; D997-L1000 PolarHBondContact O-N 3.05Å; D997-E1001 VanDerWaalsContact O-CB 3.27Å; D997-E1001 WeakPolarHBondContact O-CB 3.22Å; D997-E1001 PolarHBondContact O-N 3.4Å
998	G	91.9	Very high	92.2	Very high	44 Å²	44	43.9 Å²	43.9	45%	0.454	23%	0.233	S	C	.	.	H	α-helix	trans	-63.7	-44.3	172.6	0	0	0	0	0	113.7	K994 M996 E1001 Q1002	K994-G998 PolarHBondContact O-N 3.13Å; M996-G998 PolarHBondContact O-N 2.91Å; G998-E1001 PolarHBondContact O-N 3.09Å; G998-Q1002 PolarHBondContact O-N 3.16Å
999	L	92.9	Very high	92.3	Very high	12 Å²	12	45 Å²	45	6%	0.063	24%	0.24	C	C	.	.	H	α-helix	trans	-62.5	-45.7	174.5	174.6	65.8	0	0	0	111.4	C995 M996 Q1002 K1003 E1018 L1021 L1022	C995-L999 PolarHBondContact O-N 3.26Å; M996-L999 WeakPolarHBondContact O-CB 3.46Å; M996-L999 PolarHBondContact O-N 3.04Å; M996-L999 VanDerWaalsContact O-N 3.09Å; L999-Q1002 WeakPolarHBondContact O-CB 3.33Å; L999-Q1002 PolarHBondContact O-N 3.33Å; L999-K1003 HydrophobicContact CD1-CG 4.31Å; L999-K1003 HydrophobicContact CG-CG 4.46Å; L999-K1003 WeakPolarHBondContact O-CG 3.3Å; L999-K1003 PolarHBondContact O-N 2.75Å; L999-E1018 HydrophobicContact CD1-CG 3.96Å; L999-E1018 HydrophobicContact CD2-CG 4.02Å; L999-L1021 HydrophobicContact CB-CD2 4.03Å; L999-L1021 HydrophobicContact CD2-CD2 3.94Å; L999-L1022 HydrophobicContact CD2-CD2 3.92Å; L999-L1022 HydrophobicContact CD2-CG 4.16Å
1000	L	92.9	Very high	92.4	Very high	13 Å²	13	44.6 Å²	44.6	7%	0.068	24%	0.238	C	C	.	.	H	α-helix	trans	-62.7	-45.1	179.1	-72.1	-179.5	0	0	0	110.9	F748 L751 M996 D997 Q1002 K1003 F1004	F748-L1000 HydrophobicContact CE1-CD1 4.32Å; F748-L1000 HydrophobicContact CZ-CD1 4.09Å; L751-L1000 HydrophobicContact CD1-CD2 3.72Å; M996-L1000 HydrophobicContact CE-CD1 4.29Å; M996-L1000 HydrophobicContact CG-CD1 3.83Å; M996-L1000 HydrophobicContact CG-CG 4.02Å; M996-L1000 WeakPolarHBondContact O-CB 3.4Å; M996-L1000 WeakPolarHBondContact O-CG 3.34Å; M996-L1000 PolarHBondContact O-N 3.4Å; M996-L1000 HydrophobicContact SD-CD1 4.05Å; D997-L1000 PolarHBondContact O-N 3.05Å; L1000-Q1002 VanDerWaalsContact C-N 3.3Å; L1000-Q1002 PolarHBondContact O-N 3.15Å; L1000-K1003 CarbonylContact O-C 3.55Å; L1000-K1003 PolarHBondContact O-N 3.01Å; L1000-K1003 VanDerWaalsContact O-N 3.11Å; L1000-F1004 HydrophobicContact CB-CD2 4.34Å; L1000-F1004 HydrophobicContact CB-CE2 3.68Å; L1000-F1004 HydrophobicContact CB-CZ 3.84Å; L1000-F1004 HydrophobicContact CD1-CZ 4.47Å; L1000-F1004 HydrophobicContact CD2-CE1 4.47Å; L1000-F1004 HydrophobicContact CD2-CZ 4.06Å; L1000-F1004 HydrophobicContact CG-CZ 4.34Å; L1000-F1004 WeakPolarHBondContact O-CB 3.49Å; L1000-F1004 WeakPolarHBondContact O-CD2 3.28Å; L1000-F1004 WeakPolarHBondContact O-CG 3.4Å; L1000-F1004 PolarHBondContact O-N 3.14Å
1001	E	91.6	Very high	92.5	Very high	62 Å²	62	44.9 Å²	44.9	29%	0.29	24%	0.243	S	C	.	.	H	α-helix	trans	-56.9	-44	175.1	-177.9	67.8	-174.5	0	0	111.4	D997 G998 F1004 K1005	D997-E1001 VanDerWaalsContact O-CB 3.27Å; D997-E1001 WeakPolarHBondContact O-CB 3.22Å; D997-E1001 PolarHBondContact O-N 3.4Å; G998-E1001 PolarHBondContact O-N 3.09Å; E1001-F1004 PolarHBondContact O-N 3.34Å; E1001-K1005 HydrophobicContact CG-CD 4.48Å; E1001-K1005 WeakPolarHBondContact O-CG 2.99Å; E1001-K1005 PolarHBondContact O-N 2.91Å; E1001-K1005 WeakPolarHBondContact OE1-CE 3.41Å; E1001-K1005 IonicContact OE1-NZ 2.81Å; E1001-K1005 PolarHBondContact OE1-NZ 3.11Å; E1001-K1005 VanDerWaalsContact OE1-NZ 3.1Å
1002	Q	91.8	Very high	92.3	Very high	130 Å²	130	43.9 Å²	43.9	61%	0.607	23%	0.234	S	C	*	.	H	α-helix	trans	-62.8	-45.5	174.2	-174.2	-176.2	-1.9	0	0	111.8	G998 L999 L1000 F1004 K1005 S1006	G998-Q1002 PolarHBondContact O-N 3.16Å; L999-Q1002 WeakPolarHBondContact O-CB 3.33Å; L999-Q1002 PolarHBondContact O-N 3.33Å; L1000-Q1002 VanDerWaalsContact C-N 3.3Å; L1000-Q1002 PolarHBondContact O-N 3.15Å; Q1002-F1004 VanDerWaalsContact C-N 3.29Å; Q1002-F1004 PolarHBondContact O-N 3.15Å; Q1002-K1005 PolarHBondContact O-N 3.45Å; Q1002-S1006 PolarHBondContact O-N 3.34Å
1003	K	93.2	Very high	92.2	Very high	10 Å²	10	47.4 Å²	47.4	4%	0.043	25%	0.253	C	S	.	.	H	α-helix	trans	-63.7	-33.1	177.5	-73.3	-72	-177.8	-177.5	0	112.4	L751 L999 L1000 S1006 P1007 S1008 V1009 E1018	L751-K1003 HydrophobicContact CD2-CB 4.29Å; L751-K1003 HydrophobicContact CD2-CD 4.15Å; L751-K1003 HydrophobicContact CD2-CG 4.18Å; L999-K1003 HydrophobicContact CD1-CG 4.31Å; L999-K1003 HydrophobicContact CG-CG 4.46Å; L999-K1003 WeakPolarHBondContact O-CG 3.3Å; L999-K1003 PolarHBondContact O-N 2.75Å; L1000-K1003 CarbonylContact O-C 3.55Å; L1000-K1003 PolarHBondContact O-N 3.01Å; L1000-K1003 VanDerWaalsContact O-N 3.11Å; K1003-S1006 CarbonylContact O-C 3.55Å; K1003-P1007 WeakPolarHBondContact O-CA 3.37Å; K1003-P1007 VanDerWaalsContact O-N 3.11Å; K1003-S1008 PolarHBondContact NZ-OG 2.98Å; K1003-V1009 PolarHBondContact NZ-O 3.24Å; K1003-V1009 VanDerWaalsContact NZ-O 3.09Å; K1003-E1018 WeakPolarHBondContact CE-OE1 3.48Å; K1003-E1018 VanDerWaalsContact CE-OE2 3.32Å; K1003-E1018 WeakPolarHBondContact CE-OE2 3.37Å; K1003-E1018 IonicContact NZ-OE1 3.78Å; K1003-E1018 PolarHBondContact NZ-OE1 3.4Å; K1003-E1018 IonicContact NZ-OE2 2.88Å; K1003-E1018 PolarHBondContact NZ-OE2 3.49Å
1004	F	92.9	Very high	92	Very high	10 Å²	10	49.7 Å²	49.7	4%	0.044	28%	0.275	C	S	.	.	H	α-helix	trans	-76.8	-38	177.9	-57.8	-32.3	0	0	0	111.9	P728 L729 H732 I747 F748 L751 L1000 E1001 Q1002	P728-F1004 HydrophobicContact CB-CB 3.62Å; L729-F1004 HydrophobicContact CB-CD2 3.69Å; L729-F1004 HydrophobicContact CB-CE2 3.89Å; L729-F1004 HydrophobicContact CB-CG 4.08Å; L729-F1004 HydrophobicContact CB-CZ 4.47Å; L729-F1004 HydrophobicContact CD1-CD1 4.25Å; L729-F1004 HydrophobicContact CD1-CE1 3.96Å; L729-F1004 HydrophobicContact CD1-CE2 4.23Å; L729-F1004 HydrophobicContact CD1-CZ 3.95Å; L729-F1004 HydrophobicContact CD2-CE2 4.08Å; L729-F1004 HydrophobicContact CD2-CZ 4.28Å; L729-F1004 HydrophobicContact CG-CE2 4.28Å; L729-F1004 HydrophobicContact CG-CZ 4.46Å; H732-F1004 PolarHBondContact NE2-O 2.94Å; I747-F1004 HydrophobicContact CG2-CD1 4.34Å; I747-F1004 HydrophobicContact CG2-CE1 3.74Å; F748-F1004 HydrophobicContact CE2-CZ 4.05Å; F748-F1004 HydrophobicContact CZ-CZ 4.47Å; L751-F1004 HydrophobicContact CD1-CE1 3.91Å; L1000-F1004 HydrophobicContact CB-CD2 4.34Å; L1000-F1004 HydrophobicContact CB-CE2 3.68Å; L1000-F1004 HydrophobicContact CB-CZ 3.84Å; L1000-F1004 HydrophobicContact CD1-CZ 4.47Å; L1000-F1004 HydrophobicContact CD2-CE1 4.47Å; L1000-F1004 HydrophobicContact CD2-CZ 4.06Å; L1000-F1004 HydrophobicContact CG-CZ 4.34Å; L1000-F1004 WeakPolarHBondContact O-CB 3.49Å; L1000-F1004 WeakPolarHBondContact O-CD2 3.28Å; L1000-F1004 WeakPolarHBondContact O-CG 3.4Å; L1000-F1004 PolarHBondContact O-N 3.14Å; E1001-F1004 PolarHBondContact O-N 3.34Å; Q1002-F1004 VanDerWaalsContact C-N 3.29Å; Q1002-F1004 PolarHBondContact O-N 3.15Å
1005	K	91.8	Very high	91.9	Very high	109 Å²	109	48.2 Å²	48.2	47%	0.474	28%	0.277	S	S	.	.	H	α-helix	trans	-67.3	-42	173.7	-74.7	178.4	179.3	161.4	0	112.5	P728 E1001 Q1002	P728-K1005 HydrophobicContact CB-CG 3.94Å; P728-K1005 HydrophobicContact CG-CD 4.41Å; P728-K1005 HydrophobicContact CG-CG 3.53Å; E1001-K1005 HydrophobicContact CG-CD 4.48Å; E1001-K1005 WeakPolarHBondContact O-CG 2.99Å; E1001-K1005 PolarHBondContact O-N 2.91Å; E1001-K1005 WeakPolarHBondContact OE1-CE 3.41Å; E1001-K1005 IonicContact OE1-NZ 2.81Å; E1001-K1005 PolarHBondContact OE1-NZ 3.11Å; E1001-K1005 VanDerWaalsContact OE1-NZ 3.1Å; Q1002-K1005 PolarHBondContact O-N 3.45Å
1006	S	91	Very high	91.8	Very high	71 Å²	71	50.7 Å²	50.7	50%	0.497	29%	0.289	S	S	.	.	S	Bend	trans	-131.8	81.5	-179.2	-59.8	0	0	0	0	110	Q1002 K1003 S1008	Q1002-S1006 PolarHBondContact O-N 3.34Å; K1003-S1006 CarbonylContact O-C 3.55Å; S1006-S1008 PolarHBondContact O-N 3.2Å
1007	P	91.2	Very high	91.8	Very high	18 Å²	18	55.8 Å²	55.8	12%	0.117	31%	0.311	C	S	.	.			trans	-53.3	129.1	179.2	-27.6	35.3	0	0	0	112.5	H732 R846 R847 Y848 K1003	H732-P1007 VanDerWaalsContact CE1-CG 3.41Å; H732-P1007 WeakPolarHBondContact CE1-CG 3.47Å; R846-P1007 WeakPolarHBondContact O-CB 3.32Å; R847-P1007 HydrophobicContact CB-CB 4.41Å; Y848-P1007 HydrophobicContact CE1-CB 4.36Å; Y848-P1007 HydrophobicContact CE2-CB 4.23Å; Y848-P1007 HydrophobicContact CE2-CG 4.4Å; K1003-P1007 WeakPolarHBondContact O-CA 3.37Å; K1003-P1007 VanDerWaalsContact O-N 3.11Å
1008	S	92.7	Very high	91.9	Very high	51 Å²	51	54.7 Å²	54.7	36%	0.357	30%	0.304	S	S	.	.			trans	-152.3	153.3	177.8	51.3	0	0	0	0	109.2	R847 K1003 S1006 A1010	R847-S1008 CarbonylContact O-C 3.42Å; R847-S1008 VanDerWaalsContact O-CA 3.28Å; R847-S1008 WeakPolarHBondContact O-CA 3.4Å; K1003-S1008 PolarHBondContact NZ-OG 2.98Å; S1006-S1008 PolarHBondContact O-N 3.2Å; S1008-A1010 PolarHBondContact O-N 2.86Å
1009	V	94.6	Very high	92	Very high	49 Å²	49	52.6 Å²	52.6	30%	0.297	28%	0.283	S	S	.	.			trans	-56.4	137.5	176.7	-177.3	0	0	0	0	109.6	R847 A850 N858 K1003 N1011	R847-V1009 PolarHBondContact O-N 3.07Å; R847-V1009 VanDerWaalsContact O-N 3.12Å; A850-V1009 HydrophobicContact CB-CG2 4.14Å; N858-V1009 WeakPolarHBondContact ND2-CG1 3.4Å; K1003-V1009 PolarHBondContact NZ-O 3.24Å; K1003-V1009 VanDerWaalsContact NZ-O 3.09Å; V1009-N1011 PolarHBondContact O-N 3.42Å
1010	A	92	Very high	92.1	Very high	2 Å²	2	55.5 Å²	55.5	2%	0.017	29%	0.293	C	S	.	.			trans	-62.6	128.2	176.5	0	0	0	0	0	110.5	L751 N858 S1008 E1018 L1022	L751-A1010 WeakPolarHBondContact O-CB 3.2Å; N858-A1010 PolarHBondContact ND2-O 2.86Å; N858-A1010 VanDerWaalsContact ND2-O 3.1Å; S1008-A1010 PolarHBondContact O-N 2.86Å; A1010-E1018 WeakPolarHBondContact CA-OE1 3.49Å; A1010-L1022 HydrophobicContact CB-CD1 4.41Å
1011	N	92.5	Very high	92.2	Very high	61 Å²	61	54.9 Å²	54.9	33%	0.326	29%	0.29	S	S	.	.			trans	-96.4	101.9	178.6	-172.6	-7.5	0	0	0	110	V1009 D1013 E1018 G1019	V1009-N1011 PolarHBondContact O-N 3.42Å; N1011-D1013 VanDerWaalsContact C-N 3.29Å; N1011-D1013 PolarHBondContact O-N 3.26Å; N1011-D1013 VanDerWaalsContact OD1-CB 3.23Å; N1011-D1013 WeakPolarHBondContact OD1-CB 3.18Å; N1011-D1013 PolarHBondContact OD1-N 3.45Å; N1011-E1018 HydrophobicContact CB-CG 4.47Å; N1011-E1018 PolarHBondContact N-OE1 3.09Å; N1011-G1019 WeakPolarHBondContact O-CA 3.06Å; N1011-G1019 PolarHBondContact O-N 3.02Å
1012	W	90.4	Very high	92.3	Very high	38 Å²	38	52.3 Å²	52.3	14%	0.144	28%	0.278	C	S	.	.			trans	-83.8	2.6	179.3	-69.3	97.8	0	0	0	114.2	L751 F752 N862 S1014 L1022 V1026	L751-W1012 VanDerWaalsContact O-CZ2 3.29Å; L751-W1012 WeakPolarHBondContact O-CZ2 3.37Å; F752-W1012 WeakPolarHBondContact O-CZ2 3.43Å; N862-W1012 VanDerWaalsContact ND2-CH2 3.31Å; N862-W1012 WeakPolarHBondContact ND2-CH2 3.49Å; W1012-S1014 PolarHBondContact O-N 3.11Å; W1012-L1022 HydrophobicContact CD2-CD1 4.44Å; W1012-L1022 HydrophobicContact CE3-CB 4.13Å; W1012-L1022 HydrophobicContact CH2-CB 4.01Å; W1012-L1022 HydrophobicContact CH2-CD1 4.35Å; W1012-L1022 HydrophobicContact CZ2-CD1 4.26Å; W1012-L1022 HydrophobicContact CZ3-CB 3.68Å; W1012-L1022 HydrophobicContact CZ3-CD1 4.48Å; W1012-V1026 HydrophobicContact CH2-CG2 3.96Å; W1012-V1026 HydrophobicContact CZ3-CG2 3.98Å
1013	D	90.7	Very high	92.4	Very high	74 Å²	74	49.6 Å²	49.6	40%	0.396	27%	0.265	S	S	.	.			trans	-66.8	118.4	178.7	-174.8	0.6	0	0	0	111.4	N1011 T1015 N1016 G1019	N1011-D1013 VanDerWaalsContact C-N 3.29Å; N1011-D1013 PolarHBondContact O-N 3.26Å; N1011-D1013 VanDerWaalsContact OD1-CB 3.23Å; N1011-D1013 WeakPolarHBondContact OD1-CB 3.18Å; N1011-D1013 PolarHBondContact OD1-N 3.45Å; D1013-T1015 PolarHBondContact O-N 2.94Å; D1013-T1015 VanDerWaalsContact O-N 3.11Å; D1013-T1015 WeakPolarHBondContact OD1-CG2 3.47Å; D1013-T1015 PolarHBondContact OD1-N 3.39Å; D1013-T1015 PolarHBondContact OD1-OG1 3.25Å; D1013-T1015 PolarHBondContact OD2-OG1 3.39Å; D1013-N1016 PolarHBondContact O-N 3.4Å; D1013-G1019 WeakPolarHBondContact O-CA 3.37Å
1014	S	88	Confident	92.5	Very high	84 Å²	84	49.2 Å²	49.2	59%	0.587	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-17.2	175.1	65.3	0	0	0	0	114.6	W1012 N1016 R1020	W1012-S1014 PolarHBondContact O-N 3.11Å; S1014-N1016 VanDerWaalsContact C-N 3.32Å; S1014-R1020 WeakPolarHBondContact O-CG 3.3Å; S1014-R1020 PolarHBondContact O-NH1 3.15Å; S1014-R1020 VanDerWaalsContact O-NH1 3.08Å
1015	T	89.8	Confident	92.5	Very high	103 Å²	103	48.8 Å²	48.8	63%	0.632	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-19.2	174.3	77.2	0	0	0	0	112.8	D1013 R1020	D1013-T1015 PolarHBondContact O-N 2.94Å; D1013-T1015 VanDerWaalsContact O-N 3.11Å; D1013-T1015 WeakPolarHBondContact OD1-CG2 3.47Å; D1013-T1015 PolarHBondContact OD1-N 3.39Å; D1013-T1015 PolarHBondContact OD1-OG1 3.25Å; D1013-T1015 PolarHBondContact OD2-OG1 3.39Å; T1015-R1020 PolarHBondContact O-NH1 3.47Å
1016	N	92	Very high	92.6	Very high	69 Å²	69	43.7 Å²	43.7	37%	0.369	24%	0.24	S	C	.	.	S	Bend	trans	-93.8	153	178.4	-164	-71.8	0	0	0	112	D1013 S1014 E1018 G1019 R1020	D1013-N1016 PolarHBondContact O-N 3.4Å; S1014-N1016 VanDerWaalsContact C-N 3.32Å; N1016-E1018 VanDerWaalsContact C-N 3.3Å; N1016-E1018 PolarHBondContact O-N 3.17Å; N1016-E1018 PolarHBondContact OD1-N 3.12Å; N1016-G1019 PolarHBondContact O-N 2.91Å; N1016-R1020 PolarHBondContact O-N 3.45Å; N1016-R1020 VanDerWaalsContact O-N 3.1Å; N1016-R1020 PolarHBondContact O-NH1 2.95Å
1017	K	92.1	Very high	92.7	Very high	110 Å²	110	43.1 Å²	43.1	48%	0.478	23%	0.231	S	C	.	.	H	α-helix	trans	-57.7	-41.9	174.2	-67	-167.7	174.5	-165.8	0	112.1	E76 F77 L1021	E76-K1017 PolarHBondContact O-NZ 3.19Å; F77-K1017 HydrophobicContact CE2-CB 4.35Å; F77-K1017 HydrophobicContact CZ-CB 4Å; K1017-L1021 WeakPolarHBondContact O-CB 3.42Å; K1017-L1021 PolarHBondContact O-N 2.95Å
1018	E	93.9	Very high	92.8	Very high	28 Å²	28	42.5 Å²	42.5	13%	0.131	23%	0.227	C	C	.	.	H	α-helix	trans	-60.4	-52.9	178.7	-178.9	-179.5	158.2	0	0	111.1	L999 K1003 A1010 N1011 N1016 R1020 L1021 L1022	L999-E1018 HydrophobicContact CD1-CG 3.96Å; L999-E1018 HydrophobicContact CD2-CG 4.02Å; K1003-E1018 WeakPolarHBondContact CE-OE1 3.48Å; K1003-E1018 VanDerWaalsContact CE-OE2 3.32Å; K1003-E1018 WeakPolarHBondContact CE-OE2 3.37Å; K1003-E1018 IonicContact NZ-OE1 3.78Å; K1003-E1018 PolarHBondContact NZ-OE1 3.4Å; K1003-E1018 IonicContact NZ-OE2 2.88Å; K1003-E1018 PolarHBondContact NZ-OE2 3.49Å; A1010-E1018 WeakPolarHBondContact CA-OE1 3.49Å; N1011-E1018 HydrophobicContact CB-CG 4.47Å; N1011-E1018 PolarHBondContact N-OE1 3.09Å; N1016-E1018 VanDerWaalsContact C-N 3.3Å; N1016-E1018 PolarHBondContact O-N 3.17Å; N1016-E1018 PolarHBondContact OD1-N 3.12Å; E1018-R1020 PolarHBondContact O-N 3.02Å; E1018-L1021 PolarHBondContact O-N 3.1Å; E1018-L1021 VanDerWaalsContact O-N 3.16Å; E1018-L1022 HydrophobicContact CG-CD1 3.92Å; E1018-L1022 HydrophobicContact CG-CG 4.33Å; E1018-L1022 WeakPolarHBondContact O-CG 3.18Å; E1018-L1022 PolarHBondContact O-N 3.31Å
1019	G	93.7	Very high	92.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.3	-38.6	-178.3	0	0	0	0	0	112.9	N1011 D1013 N1016 Q1023	N1011-G1019 WeakPolarHBondContact O-CA 3.06Å; N1011-G1019 PolarHBondContact O-N 3.02Å; D1013-G1019 WeakPolarHBondContact O-CA 3.37Å; N1016-G1019 PolarHBondContact O-N 2.91Å; G1019-Q1023 VanDerWaalsContact O-CB 3.26Å; G1019-Q1023 WeakPolarHBondContact O-CB 3.23Å; G1019-Q1023 PolarHBondContact O-N 2.67Å
1020	R	95	Very high	92.6	Very high	73 Å²	73	39.5 Å²	39.5	28%	0.275	21%	0.206	S	C	.	.	H	α-helix	trans	-62.1	-42.7	172.9	-73.5	-165.9	-69.6	-78.2	0.5	112.7	V73 E76 S1014 T1015 N1016 E1018 T1024	V73-R1020 HydrophobicContact CG2-CB 4.44Å; E76-R1020 IonicContact OE1-CZ 3.31Å; E76-R1020 IonicContact OE1-NE 3.05Å; E76-R1020 PolarHBondContact OE1-NE 2.97Å; E76-R1020 IonicContact OE1-NH2 2.73Å; E76-R1020 IonicContact OE2-CZ 2.84Å; E76-R1020 VanDerWaalsContact OE2-CZ 3.31Å; E76-R1020 IonicContact OE2-NE 3.77Å; E76-R1020 PolarHBondContact OE2-NE 2.88Å; E76-R1020 IonicContact OE2-NH2 2.97Å; E76-R1020 PolarHBondContact OE2-NH2 3.07Å; S1014-R1020 WeakPolarHBondContact O-CG 3.3Å; S1014-R1020 PolarHBondContact O-NH1 3.15Å; S1014-R1020 VanDerWaalsContact O-NH1 3.08Å; T1015-R1020 PolarHBondContact O-NH1 3.47Å; N1016-R1020 PolarHBondContact O-N 3.45Å; N1016-R1020 VanDerWaalsContact O-N 3.1Å; N1016-R1020 PolarHBondContact O-NH1 2.95Å; E1018-R1020 PolarHBondContact O-N 3.02Å; R1020-T1024 VanDerWaalsContact O-CB 3.31Å; R1020-T1024 WeakPolarHBondContact O-CB 3.37Å; R1020-T1024 PolarHBondContact O-N 2.62Å; R1020-T1024 PolarHBondContact O-OG1 2.83Å
1021	L	95.4	Very high	92.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-64.4	-51.7	177.4	178.3	59.1	0	0	0	111.1	V73 F77 L992 C995 L999 K1017 E1018 Q1023 T1024 I1025	V73-L1021 HydrophobicContact CG1-CB 4.22Å; V73-L1021 HydrophobicContact CG1-CD1 3.85Å; F77-L1021 HydrophobicContact CD1-CD2 4.5Å; F77-L1021 HydrophobicContact CE1-CD2 3.84Å; F77-L1021 HydrophobicContact CE2-CB 3.83Å; F77-L1021 HydrophobicContact CE2-CD2 3.94Å; F77-L1021 HydrophobicContact CE2-CG 4.31Å; F77-L1021 HydrophobicContact CZ-CB 3.81Å; F77-L1021 HydrophobicContact CZ-CD2 3.52Å; F77-L1021 HydrophobicContact CZ-CG 4.24Å; L992-L1021 HydrophobicContact CD1-CD1 3.68Å; C995-L1021 HydrophobicContact CB-CD1 3.92Å; C995-L1021 HydrophobicContact CB-CD2 4.08Å; L999-L1021 HydrophobicContact CB-CD2 4.03Å; L999-L1021 HydrophobicContact CD2-CD2 3.94Å; K1017-L1021 WeakPolarHBondContact O-CB 3.42Å; K1017-L1021 PolarHBondContact O-N 2.95Å; E1018-L1021 PolarHBondContact O-N 3.1Å; E1018-L1021 VanDerWaalsContact O-N 3.16Å; L1021-Q1023 PolarHBondContact O-N 2.8Å; L1021-T1024 PolarHBondContact O-N 2.83Å; L1021-I1025 HydrophobicContact CD1-CD1 3.83Å; L1021-I1025 HydrophobicContact CD1-CG1 4.26Å; L1021-I1025 HydrophobicContact CG-CD1 3.87Å; L1021-I1025 VanDerWaalsContact O-CG1 3.32Å; L1021-I1025 WeakPolarHBondContact O-CG1 3.37Å; L1021-I1025 PolarHBondContact O-N 3.4Å
1022	L	94.5	Very high	92.1	Very high	8 Å²	8	38.7 Å²	38.7	4%	0.042	20%	0.204	C	C	.	.	H	α-helix	trans	-58.3	-48	179	-69.7	177.5	0	0	0	111.6	F752 L999 A1010 W1012 E1018 T1024 I1025 V1026	F752-L1022 HydrophobicContact CE1-CD2 4.44Å; L999-L1022 HydrophobicContact CD2-CD2 3.92Å; L999-L1022 HydrophobicContact CD2-CG 4.16Å; A1010-L1022 HydrophobicContact CB-CD1 4.41Å; W1012-L1022 HydrophobicContact CD2-CD1 4.44Å; W1012-L1022 HydrophobicContact CE3-CB 4.13Å; W1012-L1022 HydrophobicContact CH2-CB 4.01Å; W1012-L1022 HydrophobicContact CH2-CD1 4.35Å; W1012-L1022 HydrophobicContact CZ2-CD1 4.26Å; W1012-L1022 HydrophobicContact CZ3-CB 3.68Å; W1012-L1022 HydrophobicContact CZ3-CD1 4.48Å; E1018-L1022 HydrophobicContact CG-CD1 3.92Å; E1018-L1022 HydrophobicContact CG-CG 4.33Å; E1018-L1022 WeakPolarHBondContact O-CG 3.18Å; E1018-L1022 PolarHBondContact O-N 3.31Å; L1022-T1024 VanDerWaalsContact C-N 3.31Å; L1022-T1024 PolarHBondContact O-N 2.88Å; L1022-I1025 PolarHBondContact O-N 3.27Å; L1022-V1026 WeakPolarHBondContact O-CG2 3.3Å; L1022-V1026 PolarHBondContact O-N 2.89Å
1023	Q	93.8	Very high	91.4	Very high	73 Å²	73	40.5 Å²	40.5	34%	0.341	22%	0.221	S	C	.	.	H	α-helix	trans	-61.7	-39.9	178.4	-171.2	62.6	53.1	0	0	111.9	G1019 L1021 I1025 V1026 D1027	G1019-Q1023 VanDerWaalsContact O-CB 3.26Å; G1019-Q1023 WeakPolarHBondContact O-CB 3.23Å; G1019-Q1023 PolarHBondContact O-N 2.67Å; L1021-Q1023 PolarHBondContact O-N 2.8Å; Q1023-I1025 VanDerWaalsContact C-N 3.35Å; Q1023-I1025 PolarHBondContact O-N 2.89Å; Q1023-V1026 PolarHBondContact O-N 3.12Å; Q1023-D1027 PolarHBondContact NE2-OD1 3.24Å; Q1023-D1027 WeakPolarHBondContact O-CB 3.33Å; Q1023-D1027 PolarHBondContact O-N 2.91Å
1024	T	94.8	Very high	90.6	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.018	22%	0.221	C	C	.	.	H	α-helix	trans	-65.7	-38.6	178.3	-59.1	0	0	0	0	112	K69 I70 V73 L992 R1020 L1021 L1022 L1028	K69-T1024 WeakPolarHBondContact CE-OG1 3.39Å; K69-T1024 HydrophobicContact CG-CG2 4.47Å; I70-T1024 HydrophobicContact CB-CG2 4.49Å; I70-T1024 HydrophobicContact CG1-CG2 3.81Å; V73-T1024 HydrophobicContact CG2-CG2 4.48Å; L992-T1024 HydrophobicContact CD1-CG2 4.46Å; R1020-T1024 VanDerWaalsContact O-CB 3.31Å; R1020-T1024 WeakPolarHBondContact O-CB 3.37Å; R1020-T1024 PolarHBondContact O-N 2.62Å; R1020-T1024 PolarHBondContact O-OG1 2.83Å; L1021-T1024 PolarHBondContact O-N 2.83Å; L1022-T1024 VanDerWaalsContact C-N 3.31Å; L1022-T1024 PolarHBondContact O-N 2.88Å; T1024-L1028 WeakPolarHBondContact O-CB 3.44Å; T1024-L1028 PolarHBondContact O-N 2.53Å
1025	I	93.4	Very high	89.9	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66.1	-45.1	174.1	-67.7	165.4	0	0	0	110.7	F752 F956 L992 M996 L1021 L1022 Q1023 D1027 L1028 L1029	F752-I1025 HydrophobicContact CE1-CG2 4.1Å; F956-I1025 HydrophobicContact CD1-CG2 4.12Å; F956-I1025 HydrophobicContact CE1-CB 4.27Å; F956-I1025 HydrophobicContact CE1-CD1 4.04Å; F956-I1025 HydrophobicContact CE1-CG1 3.84Å; F956-I1025 HydrophobicContact CE1-CG2 3.49Å; F956-I1025 VanDerWaalsContact CE1-CG2 3.49Å; F956-I1025 HydrophobicContact CZ-CD1 4.14Å; F956-I1025 HydrophobicContact CZ-CG1 3.77Å; F956-I1025 HydrophobicContact CZ-CG2 4.22Å; L992-I1025 HydrophobicContact CD2-CG1 4.32Å; L992-I1025 HydrophobicContact CG-CG1 4.37Å; M996-I1025 HydrophobicContact CB-CD1 3.67Å; M996-I1025 HydrophobicContact CG-CD1 3.81Å; M996-I1025 HydrophobicContact SD-CD1 4.24Å; L1021-I1025 HydrophobicContact CD1-CD1 3.83Å; L1021-I1025 HydrophobicContact CD1-CG1 4.26Å; L1021-I1025 HydrophobicContact CG-CD1 3.87Å; L1021-I1025 VanDerWaalsContact O-CG1 3.32Å; L1021-I1025 WeakPolarHBondContact O-CG1 3.37Å; L1021-I1025 PolarHBondContact O-N 3.4Å; L1022-I1025 PolarHBondContact O-N 3.27Å; Q1023-I1025 VanDerWaalsContact C-N 3.35Å; Q1023-I1025 PolarHBondContact O-N 2.89Å; I1025-D1027 PolarHBondContact O-N 2.76Å; I1025-L1028 WeakPolarHBondContact O-CB 3.3Å; I1025-L1028 PolarHBondContact O-N 3.34Å; I1025-L1029 HydrophobicContact CG2-CD1 3.64Å; I1025-L1029 HydrophobicContact CG2-CG 4.28Å; I1025-L1029 WeakPolarHBondContact O-CB 3.46Å; I1025-L1029 VanDerWaalsContact O-CG 3.26Å; I1025-L1029 WeakPolarHBondContact O-CG 3.04Å; I1025-L1029 PolarHBondContact O-N 2.86Å
1026	V	93.8	Very high	88.7	Confident	3 Å²	3	35.1 Å²	35.1	2%	0.018	20%	0.195	C	C	.	.	H	α-helix	trans	-60.3	-47.2	176.8	171.7	0	0	0	0	110.4	F752 L868 W1012 L1022 Q1023 L1028 L1029 T1030	F752-V1026 HydrophobicContact CD1-CG2 4.5Å; L868-V1026 HydrophobicContact CD1-CG2 4.03Å; L868-V1026 HydrophobicContact CD2-CG1 4.29Å; L868-V1026 HydrophobicContact CD2-CG2 4Å; W1012-V1026 HydrophobicContact CH2-CG2 3.96Å; W1012-V1026 HydrophobicContact CZ3-CG2 3.98Å; L1022-V1026 WeakPolarHBondContact O-CG2 3.3Å; L1022-V1026 PolarHBondContact O-N 2.89Å; Q1023-V1026 PolarHBondContact O-N 3.12Å; V1026-L1028 VanDerWaalsContact C-N 3.32Å; V1026-L1028 PolarHBondContact O-N 3.43Å; V1026-L1029 PolarHBondContact O-N 2.62Å; V1026-T1030 HydrophobicContact CG1-CG2 3.99Å; V1026-T1030 VanDerWaalsContact O-CB 3.26Å; V1026-T1030 WeakPolarHBondContact O-CB 3.46Å; V1026-T1030 WeakPolarHBondContact O-CG2 3.37Å; V1026-T1030 PolarHBondContact O-N 3.01Å; V1026-T1030 PolarHBondContact O-OG1 3.38Å
1027	D	93.1	Very high	87.5	Confident	58 Å²	58	33 Å²	33	31%	0.31	19%	0.185	S	C	.	.	H	α-helix	trans	-59.5	-42.8	177.5	-64.8	-14	0	0	0	111.4	K69 Q1023 I1025 S1031	K69-D1027 IonicContact NZ-OD2 3.58Å; K69-D1027 PolarHBondContact NZ-OD2 3.3Å; Q1023-D1027 PolarHBondContact NE2-OD1 3.24Å; Q1023-D1027 WeakPolarHBondContact O-CB 3.33Å; Q1023-D1027 PolarHBondContact O-N 2.91Å; I1025-D1027 PolarHBondContact O-N 2.76Å; D1027-S1031 WeakPolarHBondContact O-CB 3.47Å; D1027-S1031 PolarHBondContact O-N 3.33Å; D1027-S1031 VanDerWaalsContact O-N 3.1Å; D1027-S1031 PolarHBondContact O-OG 3.19Å
1028	L	92	Very high	86	Confident	6 Å²	6	34 Å²	34	3%	0.031	19%	0.191	C	C	.	.	H	α-helix	trans	-59.4	-49.9	176.3	166.1	66.2	0	0	0	112.1	L65 R952 F956 L989 L992 T1024 I1025 V1026 S1031	L65-L1028 HydrophobicContact CD2-CD1 3.18Å; R952-L1028 WeakPolarHBondContact CD-O 3.44Å; R952-L1028 PolarHBondContact NH1-O 3.28Å; F956-L1028 HydrophobicContact CD2-CD2 3.95Å; F956-L1028 HydrophobicContact CE2-CD2 3.92Å; L989-L1028 HydrophobicContact CD2-CD1 3.59Å; L989-L1028 HydrophobicContact CD2-CD2 3.61Å; L989-L1028 HydrophobicContact CD2-CG 4.27Å; L992-L1028 HydrophobicContact CD2-CD2 3.67Å; T1024-L1028 WeakPolarHBondContact O-CB 3.44Å; T1024-L1028 PolarHBondContact O-N 2.53Å; I1025-L1028 WeakPolarHBondContact O-CB 3.3Å; I1025-L1028 PolarHBondContact O-N 3.34Å; V1026-L1028 VanDerWaalsContact C-N 3.32Å; V1026-L1028 PolarHBondContact O-N 3.43Å; L1028-S1031 PolarHBondContact O-OG 2.71Å
1029	L	91.4	Very high	84.3	Confident	4 Å²	4	35 Å²	35	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-73	-29	-174.8	-67.8	171.9	0	0	0	112.5	L868 A871 P953 F956 F957 I1025 V1026	L868-L1029 HydrophobicContact CD1-CD1 4.36Å; A871-L1029 HydrophobicContact CB-CB 4.26Å; A871-L1029 HydrophobicContact CB-CD1 3.94Å; A871-L1029 HydrophobicContact CB-CD2 4.3Å; A871-L1029 HydrophobicContact CB-CG 4.4Å; P953-L1029 HydrophobicContact CG-CD2 4.3Å; F956-L1029 HydrophobicContact CB-CD2 4.06Å; F956-L1029 HydrophobicContact CD1-CD2 4.46Å; F956-L1029 HydrophobicContact CG-CD2 4.42Å; F957-L1029 HydrophobicContact CE2-CD1 3.68Å; F957-L1029 HydrophobicContact CE2-CD2 4.18Å; F957-L1029 HydrophobicContact CZ-CD1 3.9Å; I1025-L1029 HydrophobicContact CG2-CD1 3.64Å; I1025-L1029 HydrophobicContact CG2-CG 4.28Å; I1025-L1029 WeakPolarHBondContact O-CB 3.46Å; I1025-L1029 VanDerWaalsContact O-CG 3.26Å; I1025-L1029 WeakPolarHBondContact O-CG 3.04Å; I1025-L1029 PolarHBondContact O-N 2.86Å; V1026-L1029 PolarHBondContact O-N 2.62Å
1030	T	91.5	Very high	82.3	Confident	32 Å²	32	40.6 Å²	40.6	20%	0.196	23%	0.225	C	C	.	.	H	α-helix	trans	-96.5	-20.6	-171.7	61.4	0	0	0	0	113.6	N865 N867 L868 V1026 E1032	N865-T1030 WeakPolarHBondContact ND2-CG2 3.2Å; N865-T1030 WeakPolarHBondContact OD1-CG2 3.05Å; N867-T1030 HydrophobicContact CB-CG2 4.21Å; N867-T1030 PolarHBondContact ND2-O 3.49Å; L868-T1030 HydrophobicContact CB-CG2 3.94Å; V1026-T1030 HydrophobicContact CG1-CG2 3.99Å; V1026-T1030 VanDerWaalsContact O-CB 3.26Å; V1026-T1030 WeakPolarHBondContact O-CB 3.46Å; V1026-T1030 WeakPolarHBondContact O-CG2 3.37Å; V1026-T1030 PolarHBondContact O-N 3.01Å; V1026-T1030 PolarHBondContact O-OG1 3.38Å; T1030-E1032 VanDerWaalsContact C-N 3.28Å; T1030-E1032 PolarHBondContact O-N 3.48Å
1031	S	89.8	Confident	79.8	Confident	36 Å²	36	46.5 Å²	46.5	25%	0.252	25%	0.253	S	S	.	.	S	Bend	trans	-74.8	-11.9	177.2	55.9	0	0	0	0	114.4	G64 R952 D1027 L1028 P1033	G64-S1031 PolarHBondContact O-OG 3.44Å; R952-S1031 PolarHBondContact NH1-OG 2.99Å; D1027-S1031 WeakPolarHBondContact O-CB 3.47Å; D1027-S1031 PolarHBondContact O-N 3.33Å; D1027-S1031 VanDerWaalsContact O-N 3.1Å; D1027-S1031 PolarHBondContact O-OG 3.19Å; L1028-S1031 PolarHBondContact O-OG 2.71Å; S1031-P1033 WeakPolarHBondContact O-CD 3.39Å
1032	E	85.3	Confident	77.4	Confident	10 Å²	10	51.5 Å²	51.5	5%	0.047	28%	0.279	C	S	.	.	S	Bend	trans	-78.3	120.2	171.9	-164	-179.3	-179.5	0	0	109.1	P61 S950 L951 R952 T1030	P61-E1032 HydrophobicContact CB-CG 4.31Å; P61-E1032 HydrophobicContact CG-CG 4.24Å; P61-E1032 WeakPolarHBondContact CG-OE1 3.34Å; S950-E1032 WeakPolarHBondContact CB-OE1 3.43Å; S950-E1032 WeakPolarHBondContact CB-OE2 3.46Å; L951-E1032 PolarHBondContact N-OE1 3.31Å; L951-E1032 PolarHBondContact N-OE2 2.96Å; R952-E1032 WeakPolarHBondContact CB-OE2 3.44Å; R952-E1032 HydrophobicContact CG-CB 4.47Å; R952-E1032 WeakPolarHBondContact CG-OE2 3.38Å; R952-E1032 PolarHBondContact N-OE2 3.47Å; R952-E1032 VanDerWaalsContact NH1-N 3.15Å; T1030-E1032 VanDerWaalsContact C-N 3.28Å; T1030-E1032 PolarHBondContact O-N 3.48Å
1033	P	76.4	Confident	74.4	Confident	76 Å²	76	59.6 Å²	59.6	49%	0.494	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-62.8	147.1	173.1	27.3	-33	0	0	0	109.7	S1031	S1031-P1033 WeakPolarHBondContact O-CD 3.39Å
1034	P	72.6	Confident	73.5	Confident	60 Å²	60	59 Å²	59	39%	0.39	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-61.4	153.1	173.3	25	-32.2	0	0	0	111.3
1035	P	73.2	Confident	72.3	Confident	25 Å²	25	61.9 Å²	61.9	16%	0.162	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-54.7	143.3	177	-22	31.3	0	0	0	111.6	I925 V948 V1037	I925-P1035 HydrophobicContact CB-CB 4.46Å; I925-P1035 HydrophobicContact CG2-CB 3.59Å; I925-P1035 HydrophobicContact CG2-CG 4.21Å; V948-P1035 HydrophobicContact CG1-CG 4.05Å; P1035-V1037 HydrophobicContact CB-CG2 4.27Å; P1035-V1037 PolarHBondContact O-N 3.3Å
1036	A	65.8	Low	71.2	Confident	64 Å²	64	65.3 Å²	65.3	53%	0.529	37%	0.373	S	S	.	.			trans	-69.5	106.8	174.5	0	0	0	0	0	109.5
1037	V	65.4	Low	69.8	Low	23 Å²	23	69 Å²	69	14%	0.139	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	126.9	-177.4	178.3	0	0	0	0	110	F793 I919 I925 P1035	F793-V1037 HydrophobicContact CD1-CB 4.39Å; F793-V1037 HydrophobicContact CD1-CG1 3.89Å; F793-V1037 HydrophobicContact CE1-CB 3.87Å; F793-V1037 HydrophobicContact CE1-CG1 3.39Å; F793-V1037 HydrophobicContact CE2-CB 4.28Å; F793-V1037 HydrophobicContact CZ-CB 3.82Å; F793-V1037 HydrophobicContact CZ-CG1 3.86Å; I919-V1037 HydrophobicContact CD1-CG1 3.55Å; I919-V1037 HydrophobicContact CD1-CG2 4.31Å; I919-V1037 HydrophobicContact CG1-CG1 3.25Å; I925-V1037 HydrophobicContact CD1-CG2 4.14Å; I925-V1037 HydrophobicContact CG2-CG2 4.4Å; P1035-V1037 HydrophobicContact CB-CG2 4.27Å; P1035-V1037 PolarHBondContact O-N 3.3Å
1038	Q	60.7	Low	68.4	Low	132 Å²	132	69.7 Å²	69.7	62%	0.617	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	139.1	165.8	-64.6	-174.9	4	0	0	109.7	Q920	Q920-Q1038 CarbonylContact C-O 3.15Å; Q920-Q1038 PolarHBondContact N-O 3.37Å; Q920-Q1038 PolarHBondContact O-N 2.92Å; Q920-Q1038 VanDerWaalsContact O-O 3.13Å
1039	V	58.2	Low	66.8	Low	48 Å²	48	73.9 Å²	73.9	29%	0.291	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	131.5	163	-170	0	0	0	0	105.9	F793 K918 K1041	F793-V1039 HydrophobicContact CD1-CG2 4.41Å; F793-V1039 HydrophobicContact CE1-CG2 3.46Å; F793-V1039 VanDerWaalsContact CE1-CG2 3.46Å; F793-V1039 HydrophobicContact CZ-CG2 4.16Å; K918-V1039 HydrophobicContact CB-CG1 4.48Å; V1039-K1041 PolarHBondContact O-N 3.13Å
1040	E	51.4	Low	65.1	Low	118 Å²	118	78.9 Å²	78.9	55%	0.551	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-51.9	117	170.1	-163.2	169.9	-154.3	0	0	108.2	Q920 L1042	Q920-E1040 PolarHBondContact NE2-OE2 3.35Å; E1040-L1042 PolarHBondContact O-N 3.2Å
1041	K	44.1	Very low	63	Low	198 Å²	198	82.5 Å²	82.5	86%	0.861	47%	0.471	S	S	*	.			trans	-59.3	115.2	174.1	-79.2	-175.8	177.6	179.9	0	106.2	V1039 S1043	V1039-K1041 PolarHBondContact O-N 3.13Å; K1041-S1043 PolarHBondContact O-N 3.35Å
1042	L	43.6	Very low	60.8	Low	104 Å²	104	86.4 Å²	86.4	55%	0.545	49%	0.49	S	S	.	.			trans	-58.4	106.7	167.1	-84.5	161.7	0	0	0	106.9	E1040	E1040-L1042 PolarHBondContact O-N 3.2Å
1043	S	33.1	Very low	58.6	Low	179 Å²	179	93.4 Å²	93.4	100%	1.252	53%	0.53	S	S	*	.			trans	-57.4	0	168.7	59.3	0	0	0	0	110.4	K1041	K1041-S1043 PolarHBondContact O-N 3.35Å

Retrieved 1,043 of 1,043 residues in 463.6 ms (Link to these results)

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