A0A3Q0KRC7_SCHMA Loading...

Phosphatidylcholine-sterol acyltransferase (Lecithin-cholesterol acyltransferase)/ Phospholipase A AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KRC7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 407 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	36.6	Very low	36.5	Very low	195 Å²	195	125.5 Å²	125.5	96%	0.961	61%	0.614	S	S	*	*				0	-52.6	0	-109.1	171.4	77.4	0	0	113.6	I3 F4 M5	M1-I3 PolarHBondContact O-N 2.59Å; M1-F4 PolarHBondContact O-N 2.83Å; M1-M5 PolarHBondContact O-N 3.5Å
2	V	30.7	Very low	36.5	Very low	108 Å²	108	121.8 Å²	121.8	66%	0.655	60%	0.598	S	S	*	*	H	α-helix	trans	-61.9	-36	-176.7	-179	0	0	0	0	114.2	K6	V2-K6 PolarHBondContact O-N 2.99Å; V2-K6 VanDerWaalsContact O-N 3.13Å
3	I	36.7	Very low	36.9	Very low	134 Å²	134	116.9 Å²	116.9	69%	0.687	58%	0.576	S	S	*	*	H	α-helix	trans	-71.7	-40.2	178.1	-62.7	173.1	0	0	0	111.3	M1 M5 K6 L7	M1-I3 PolarHBondContact O-N 2.59Å; I3-M5 VanDerWaalsContact C-N 3.32Å; I3-M5 PolarHBondContact O-N 3.13Å; I3-K6 PolarHBondContact O-N 3.42Å; I3-L7 HydrophobicContact CG2-CD1 4.28Å; I3-L7 PolarHBondContact O-N 2.75Å
4	F	33.6	Very low	36.9	Very low	173 Å²	173	113.9 Å²	113.9	76%	0.759	59%	0.589	S	S	*	*	H	α-helix	trans	-66.5	-35	176.3	-138.8	-91.7	0	0	0	111.6	M1 L7 M8	M1-F4 PolarHBondContact O-N 2.83Å; F4-L7 PolarHBondContact O-N 3.07Å; F4-M8 PolarHBondContact O-N 3.41Å; F4-M8 VanDerWaalsContact O-N 3.15Å
5	M	34.3	Very low	36.9	Very low	69 Å²	69	112.1 Å²	112.1	34%	0.34	60%	0.598	S	S	.	*	H	α-helix	trans	-65.7	-41	172.8	-85.1	173.6	67.6	0	0	113.2	M1 I3 L7 M8 L9 L72 L75	M1-M5 PolarHBondContact O-N 3.5Å; I3-M5 VanDerWaalsContact C-N 3.32Å; I3-M5 PolarHBondContact O-N 3.13Å; M5-L7 VanDerWaalsContact C-N 3.33Å; M5-L7 PolarHBondContact O-N 3.37Å; M5-M8 PolarHBondContact O-N 2.95Å; M5-L9 PolarHBondContact O-N 3.22Å; M5-L72 HydrophobicContact CE-CD1 4.11Å; M5-L75 HydrophobicContact CE-CD1 4.43Å
6	K	35.5	Very low	36.8	Very low	145 Å²	145	108.9 Å²	108.9	63%	0.63	58%	0.581	S	S	*	*	H	α-helix	trans	-62.2	-41.5	175.3	-85.7	-172.6	172.6	-173.5	0	111.5	V2 I3 L9 I10	V2-K6 PolarHBondContact O-N 2.99Å; V2-K6 VanDerWaalsContact O-N 3.13Å; I3-K6 PolarHBondContact O-N 3.42Å; K6-L9 PolarHBondContact O-N 3.39Å; K6-I10 VanDerWaalsContact O-CD1 3.32Å; K6-I10 WeakPolarHBondContact O-CD1 3.45Å; K6-I10 WeakPolarHBondContact O-CG1 3.43Å; K6-I10 PolarHBondContact O-N 2.92Å
7	L	37.6	Very low	36.6	Very low	86 Å²	86	106.8 Å²	106.8	45%	0.45	57%	0.573	S	S	.	*	H	α-helix	trans	-63.9	-41.4	178.4	-84.7	150.8	0	0	0	112.5	I3 F4 M5 L9 I10 F11	I3-L7 HydrophobicContact CG2-CD1 4.28Å; I3-L7 PolarHBondContact O-N 2.75Å; F4-L7 PolarHBondContact O-N 3.07Å; M5-L7 VanDerWaalsContact C-N 3.33Å; M5-L7 PolarHBondContact O-N 3.37Å; L7-L9 PolarHBondContact O-N 3.33Å; L7-I10 PolarHBondContact O-N 2.88Å; L7-F11 HydrophobicContact CD2-CE2 4.48Å; L7-F11 WeakPolarHBondContact O-CD2 3.35Å; L7-F11 PolarHBondContact O-N 3.42Å
8	M	38.1	Very low	36.7	Very low	136 Å²	136	103.3 Å²	103.3	67%	0.67	56%	0.558	S	S	*	*	H	α-helix	trans	-67.3	-36	179.5	-156.3	-173.3	165.9	0	0	112.9	F4 M5 L12	F4-M8 PolarHBondContact O-N 3.41Å; F4-M8 VanDerWaalsContact O-N 3.15Å; M5-M8 PolarHBondContact O-N 2.95Å; M8-L12 PolarHBondContact O-N 3.21Å
9	L	37.3	Very low	36.7	Very low	56 Å²	56	102.6 Å²	102.6	29%	0.293	56%	0.56	S	S	.	*	H	α-helix	trans	-67.9	-36.8	172.8	-79.4	155.4	0	0	0	112.4	M5 K6 L7 L12 N13 L71	M5-L9 PolarHBondContact O-N 3.22Å; K6-L9 PolarHBondContact O-N 3.39Å; L7-L9 PolarHBondContact O-N 3.33Å; L9-L12 PolarHBondContact O-N 3.25Å; L9-N13 PolarHBondContact O-N 3.42Å; L9-L71 HydrophobicContact CD2-CB 4.35Å; L9-L71 HydrophobicContact CD2-CD1 4.25Å
10	I	44.7	Very low	36.5	Very low	110 Å²	110	102.1 Å²	102.1	56%	0.564	56%	0.564	S	S	*	*	H	α-helix	trans	-67.2	-40.1	177.4	-68	162	0	0	0	111.1	K6 L7 L12 N13	K6-I10 VanDerWaalsContact O-CD1 3.32Å; K6-I10 WeakPolarHBondContact O-CD1 3.45Å; K6-I10 WeakPolarHBondContact O-CG1 3.43Å; K6-I10 PolarHBondContact O-N 2.92Å; L7-I10 PolarHBondContact O-N 2.88Å; I10-L12 VanDerWaalsContact C-N 3.29Å; I10-L12 PolarHBondContact O-N 3.41Å; I10-N13 PolarHBondContact O-N 2.75Å
11	F	36.4	Very low	36.4	Very low	169 Å²	169	106.8 Å²	106.8	74%	0.741	58%	0.575	S	S	*	*	H	α-helix	trans	-66.8	-27.8	177.6	-91.1	-78.4	0	0	0	113.4	L7	L7-F11 HydrophobicContact CD2-CE2 4.48Å; L7-F11 WeakPolarHBondContact O-CD2 3.35Å; L7-F11 PolarHBondContact O-N 3.42Å
12	L	36.8	Very low	36	Very low	81 Å²	81	106 Å²	106	42%	0.424	57%	0.568	S	S	.	*	H	α-helix	trans	-81.4	-31.6	173.9	-79.1	157	0	0	0	112.9	M8 L9 I10 G14 L16	M8-L12 PolarHBondContact O-N 3.21Å; L9-L12 PolarHBondContact O-N 3.25Å; I10-L12 VanDerWaalsContact C-N 3.29Å; I10-L12 PolarHBondContact O-N 3.41Å; L12-G14 VanDerWaalsContact C-N 3.34Å; L12-G14 PolarHBondContact O-N 3.1Å; L12-L16 HydrophobicContact CD2-CD1 3.79Å
13	N	40.8	Very low	36	Very low	58 Å²	58	107.8 Å²	107.8	31%	0.31	57%	0.573	S	S	.	*	H	α-helix	trans	-66.2	-30.4	-177.7	-95.4	9.9	0	0	0	114.4	L9 I10 A15 T17 Y122	L9-N13 PolarHBondContact O-N 3.42Å; I10-N13 PolarHBondContact O-N 2.75Å; N13-A15 PolarHBondContact O-N 2.85Å; N13-T17 WeakPolarHBondContact O-CG2 3.34Å; N13-T17 PolarHBondContact O-OG1 3.37Å; N13-Y122 VanDerWaalsContact OD1-CE1 3.22Å; N13-Y122 WeakPolarHBondContact OD1-CE1 3.25Å; N13-Y122 VanDerWaalsContact OD1-CZ 3.32Å; N13-Y122 PolarHBondContact OD1-OH 3.11Å
14	G	36.8	Very low	35.7	Very low	74 Å²	74	108.2 Å²	108.2	76%	0.763	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-20.1	-174.9	0	0	0	0	0	115.3	L12	L12-G14 VanDerWaalsContact C-N 3.34Å; L12-G14 PolarHBondContact O-N 3.1Å
15	A	37.6	Very low	35.5	Very low	88 Å²	88	108.1 Å²	108.1	73%	0.727	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.6	-3.8	-171.9	0	0	0	0	0	114.6	N13	N13-A15 PolarHBondContact O-N 2.85Å
16	L	34.5	Very low	35.7	Very low	60 Å²	60	112.3 Å²	112.3	31%	0.314	61%	0.607	S	S	.	*	S	Bend	trans	-129.3	2.9	-165.6	-67.4	171.7	0	0	0	115.1	L12 Y122	L12-L16 HydrophobicContact CD2-CD1 3.79Å; L16-Y122 HydrophobicContact CB-CD1 4.18Å
17	T	34.1	Very low	35.5	Very low	73 Å²	73	111.8 Å²	111.8	45%	0.448	62%	0.615	S	S	.	*	B	Isolated β-bridge	trans	-101.1	128	-176.3	53.6	0	0	0	0	110.5	N13 D120 Y122	N13-T17 WeakPolarHBondContact O-CG2 3.34Å; N13-T17 PolarHBondContact O-OG1 3.37Å; T17-D120 WeakPolarHBondContact CG2-O 3.24Å; T17-Y122 HydrophobicContact CG2-CD1 4.42Å; T17-Y122 HydrophobicContact CG2-CE1 4.31Å
18	S	38.1	Very low	35.7	Very low	45 Å²	45	112.4 Å²	112.4	32%	0.315	62%	0.619	S	S	.	*	P	Polyproline II helix	trans	-88	152.8	177.9	88.1	0	0	0	0	111.5	S20 Y116	S18-S20 PolarHBondContact O-N 3.31Å; S18-Y116 PolarHBondContact OG-OH 3.21Å
19	P	36.3	Very low	35.7	Very low	90 Å²	90	113.8 Å²	113.8	58%	0.584	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-59.8	136.3	-177.7	-17.4	29.8	0	0	0	112.3	Y21	P19-Y21 HydrophobicContact CB-CE2 4.38Å
20	S	32.8	Very low	36	Very low	92 Å²	92	121.1 Å²	121.1	64%	0.643	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-73.7	128.1	168.8	40.3	0	0	0	0	110.2	S18	S18-S20 PolarHBondContact O-N 3.31Å
21	Y	35.5	Very low	36.1	Very low	201 Å²	201	119.5 Å²	119.5	79%	0.788	65%	0.648	S	S	*	*			trans	-104.7	125	171.4	-67.8	-81	0	0	0	109.6	P19	P19-Y21 HydrophobicContact CB-CE2 4.38Å
22	H	28.5	Very low	36.3	Very low	177 Å²	177	121.6 Å²	121.6	82%	0.819	66%	0.657	S	S	*	*			trans	-84	132.4	168.8	-83.6	-76.9	0	0	0	109.8
23	L	30.6	Very low	37.1	Very low	147 Å²	147	120.7 Å²	120.7	77%	0.77	65%	0.653	S	S	*	*			trans	-71.3	123.9	173.4	-84.7	135.4	0	0	0	110
24	N	29.3	Very low	38.1	Very low	142 Å²	142	126.8 Å²	126.8	76%	0.759	68%	0.679	S	S	*	*			trans	-105.4	140.9	159	-78	-19.5	0	0	0	108.4	I26	N24-I26 PolarHBondContact O-N 2.62Å
25	D	30	Very low	40	Very low	172 Å²	172	125.2 Å²	125.2	92%	0.92	65%	0.653	S	S	*	*			trans	-52.3	114.7	-179.5	-73.5	-47.3	0	0	0	111.9
26	I	37.5	Very low	42.5	Very low	157 Å²	157	124.7 Å²	124.7	81%	0.805	64%	0.637	S	S	*	*			trans	-103.5	113.3	173	-62.4	173.8	0	0	0	108.7	N24 L28	N24-I26 PolarHBondContact O-N 2.62Å; I26-L28 PolarHBondContact O-N 3.03Å
27	T	32.7	Very low	45.4	Very low	133 Å²	133	122.9 Å²	122.9	82%	0.816	63%	0.626	S	S	*	*			trans	-66.5	122.2	169.6	-12.2	0	0	0	0	109.4	E29	T27-E29 PolarHBondContact O-N 2.82Å; T27-E29 VanDerWaalsContact O-N 3.1Å
28	L	40.3	Very low	48.5	Very low	99 Å²	99	120.5 Å²	120.5	52%	0.518	61%	0.609	S	S	.	*			trans	-69.2	104	176.9	-73.9	167.7	0	0	0	110.3	I26 V142 K145	I26-L28 PolarHBondContact O-N 3.03Å; L28-V142 HydrophobicContact CD2-CG2 4.15Å; L28-K145 HydrophobicContact CD1-CD 4.15Å
29	E	39.3	Very low	51.4	Low	165 Å²	165	118.3 Å²	118.3	77%	0.771	59%	0.594	S	S	*	*			trans	-66	137.5	160.7	-80.7	-170	148.3	0	0	109.7	T27 V31	T27-E29 PolarHBondContact O-N 2.82Å; T27-E29 VanDerWaalsContact O-N 3.1Å; E29-V31 PolarHBondContact O-N 3.42Å
30	K	42.8	Very low	54.3	Low	211 Å²	211	114 Å²	114	92%	0.917	57%	0.567	S	S	*	*			trans	-61.8	97.4	173.4	-79	-179.9	175.9	177.5	0	108.8	K32	K30-K32 PolarHBondContact O-N 3.45Å; K30-K32 VanDerWaalsContact O-N 3.13Å
31	V	46.8	Very low	57.5	Low	76 Å²	76	109.7 Å²	109.7	46%	0.461	54%	0.536	S	S	.	.			trans	-61.5	117.1	168.7	-167.5	0	0	0	0	107.3	E29 D33	E29-V31 PolarHBondContact O-N 3.42Å; V31-D33 HydrophobicContact CB-CB 4.38Å; V31-D33 HydrophobicContact CG1-CB 3.91Å; V31-D33 WeakPolarHBondContact CG1-OD2 3.28Å; V31-D33 PolarHBondContact O-N 3.23Å
32	K	42	Very low	60.5	Low	212 Å²	212	100.2 Å²	100.2	92%	0.922	50%	0.499	S	S	*	.			trans	-70.8	88.2	161.7	-77.4	-177.3	175.1	-178.5	0	105.8	K30	K30-K32 PolarHBondContact O-N 3.45Å; K30-K32 VanDerWaalsContact O-N 3.13Å
33	D	52.3	Low	63.8	Low	63 Å²	63	91.8 Å²	91.8	34%	0.337	46%	0.46	S	S	.	.			trans	-107.5	115.6	-173.2	-112.6	-34.3	0	0	0	110.3	V31 N35 R37	V31-D33 HydrophobicContact CB-CB 4.38Å; V31-D33 HydrophobicContact CG1-CB 3.91Å; V31-D33 WeakPolarHBondContact CG1-OD2 3.28Å; V31-D33 PolarHBondContact O-N 3.23Å; D33-N35 PolarHBondContact O-N 3.29Å; D33-R37 IonicContact OD1-CZ 3.67Å; D33-R37 IonicContact OD1-NH1 3.48Å; D33-R37 PolarHBondContact OD1-NH1 2.91Å; D33-R37 IonicContact OD1-NH2 3.65Å; D33-R37 PolarHBondContact OD1-NH2 3.12Å; D33-R37 IonicContact OD2-CZ 3.31Å; D33-R37 IonicContact OD2-NE 3.77Å; D33-R37 IonicContact OD2-NH1 3.9Å; D33-R37 PolarHBondContact OD2-NH1 2.81Å; D33-R37 IonicContact OD2-NH2 3.77Å; D33-R37 PolarHBondContact OD2-NH2 3.07Å
34	E	62.6	Low	67.1	Low	186 Å²	186	84.8 Å²	84.8	87%	0.869	42%	0.423	S	S	*	.	S	Bend	trans	-66.7	-20	170.5	-68.8	179.5	159.3	0	0	111.4
35	N	76.3	Confident	70.3	Confident	40 Å²	40	78 Å²	78	21%	0.214	39%	0.388	C	S	.	.	S	Bend	trans	-107.7	137.1	-172.8	-53.5	15.1	0	0	0	111.2	D33 R37 V405 I406 D407	D33-N35 PolarHBondContact O-N 3.29Å; N35-R37 PolarHBondContact O-NH1 3.47Å; N35-V405 HydrophobicContact CB-CG1 4.37Å; N35-I406 CarbonylContact C-O 3.59Å; N35-I406 VanDerWaalsContact CA-O 3.23Å; N35-I406 WeakPolarHBondContact CA-O 3.17Å; N35-I406 VanDerWaalsContact CB-O 3.22Å; N35-I406 WeakPolarHBondContact CB-O 3.37Å; N35-D407 PolarHBondContact ND2-OD1 3.44Å; N35-D407 PolarHBondContact OD1-OXT 3.17Å
36	I	91.1	Very high	73.5	Confident	77 Å²	77	72.7 Å²	72.7	40%	0.395	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	129	-178.6	-61.2	174.8	0	0	0	110	Y38 I406	I36-Y38 HydrophobicContact CG2-CE1 4.38Å; I36-Y38 HydrophobicContact CG2-CE2 4.02Å; I36-I406 HydrophobicContact CB-CB 4.42Å; I36-I406 PolarHBondContact N-O 3.26Å; I36-I406 PolarHBondContact O-N 3.28Å
37	R	95.6	Very high	76.2	Confident	22 Å²	22	65.5 Å²	65.5	8%	0.083	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	139	175.5	-68.8	136.1	176.5	109.2	-19.4	112.8	D33 N35 D138 F140 R182 L404 V405	D33-R37 IonicContact OD1-CZ 3.67Å; D33-R37 IonicContact OD1-NH1 3.48Å; D33-R37 PolarHBondContact OD1-NH1 2.91Å; D33-R37 IonicContact OD1-NH2 3.65Å; D33-R37 PolarHBondContact OD1-NH2 3.12Å; D33-R37 IonicContact OD2-CZ 3.31Å; D33-R37 IonicContact OD2-NE 3.77Å; D33-R37 IonicContact OD2-NH1 3.9Å; D33-R37 PolarHBondContact OD2-NH1 2.81Å; D33-R37 IonicContact OD2-NH2 3.77Å; D33-R37 PolarHBondContact OD2-NH2 3.07Å; N35-R37 PolarHBondContact O-NH1 3.47Å; R37-D138 IonicContact CZ-OD2 2.75Å; R37-D138 IonicContact NE-OD1 3.61Å; R37-D138 PolarHBondContact NE-OD1 2.75Å; R37-D138 IonicContact NE-OD2 2.56Å; R37-D138 PolarHBondContact NE-OD2 3.46Å; R37-D138 IonicContact NH2-OD2 2.58Å; R37-D138 PolarHBondContact NH2-OD2 2.84Å; R37-F140 HydrophobicContact CB-CB 4.18Å; R37-F140 HydrophobicContact CB-CD1 3.45Å; R37-F140 VanDerWaalsContact CB-CD1 3.45Å; R37-F140 HydrophobicContact CB-CD2 4.03Å; R37-F140 HydrophobicContact CB-CE1 3.72Å; R37-F140 HydrophobicContact CB-CE2 4.26Å; R37-F140 HydrophobicContact CB-CG 3.61Å; R37-F140 HydrophobicContact CB-CZ 4.11Å; R37-F140 HydrophobicContact CG-CB 4.3Å; R37-F140 HydrophobicContact CG-CD1 4.31Å; R37-F140 HydrophobicContact CG-CG 4.27Å; R37-F140 WeakPolarHBondContact O-CZ 3.26Å; R37-R182 VanDerWaalsContact N-NH1 3.13Å; R37-R182 WeakPolarHBondContact O-CD 3.36Å; R37-R182 PolarHBondContact O-NH1 2.84Å; R37-L404 CarbonylContact C-O 3.46Å; R37-L404 VanDerWaalsContact CA-O 3.28Å; R37-L404 WeakPolarHBondContact CA-O 3.03Å; R37-V405 HydrophobicContact CG-CB 4.39Å; R37-V405 HydrophobicContact CG-CG1 4.08Å; R37-V405 HydrophobicContact CG-CG2 3.99Å
38	Y	97.8	Very high	79.2	Confident	23 Å²	23	59.2 Å²	59.2	9%	0.09	28%	0.284	C	S	.	.			trans	-107.5	134.5	178	-62.5	-81.6	0	0	0	111.5	I36 F141 R182 P183 Y185 K213 L404 I406	I36-Y38 HydrophobicContact CG2-CE1 4.38Å; I36-Y38 HydrophobicContact CG2-CE2 4.02Å; Y38-F141 WeakPolarHBondContact O-CE1 3.33Å; Y38-R182 HydrophobicContact CD1-CB 4.32Å; Y38-P183 HydrophobicContact CD1-CG 4.29Å; Y38-P183 VanDerWaalsContact CD1-O 3.3Å; Y38-P183 WeakPolarHBondContact CD1-O 3.22Å; Y38-P183 HydrophobicContact CE1-CG 4.15Å; Y38-Y185 AromaticContact CD2-CE2 3.98Å; Y38-Y185 HydrophobicContact CD2-CE2 3.98Å; Y38-Y185 HydrophobicContact CG-CD2 4.32Å; Y38-Y185 HydrophobicContact CG-CE2 4.01Å; Y38-K213 HydrophobicContact CD1-CB 4.14Å; Y38-K213 HydrophobicContact CD1-CD 4.14Å; Y38-K213 HydrophobicContact CD1-CG 3.82Å; Y38-K213 HydrophobicContact CD2-CG 4.42Å; Y38-K213 HydrophobicContact CE1-CD 3.7Å; Y38-K213 HydrophobicContact CE1-CG 3.91Å; Y38-K213 HydrophobicContact CG-CG 4.06Å; Y38-L404 PolarHBondContact N-O 3.46Å; Y38-I406 HydrophobicContact CE2-CD1 3.5Å; Y38-I406 VanDerWaalsContact CE2-CD1 3.5Å; Y38-I406 HydrophobicContact CE2-CG1 3.9Å
39	P	98.5	Very high	81.9	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.26	C	S	.	.			trans	-64.1	162.4	172.7	-15	28.3	0	0	0	111.5	F140 T146 T175 I184 Y185	P39-F140 HydrophobicContact CG-CE1 4.3Å; P39-F140 HydrophobicContact CG-CZ 3.94Å; P39-T146 CarbonylContact C-O 3.56Å; P39-T146 VanDerWaalsContact CA-O 3.28Å; P39-T146 WeakPolarHBondContact CA-O 3.22Å; P39-T146 VanDerWaalsContact CB-O 3.29Å; P39-T146 WeakPolarHBondContact CB-O 3.38Å; P39-T175 HydrophobicContact CB-CG2 3.6Å; P39-I184 HydrophobicContact CB-CB 4.31Å; P39-I184 HydrophobicContact CB-CG2 3.71Å; P39-I184 HydrophobicContact CG-CG2 3.94Å; P39-I184 CarbonylContact O-C 3.32Å; P39-I184 WeakPolarHBondContact O-CA 3.32Å; P39-Y185 PolarHBondContact O-N 2.94Å
40	I	98.8	Very high	84.6	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	142.8	-178.3	-175.7	170.3	0	0	0	111.9	L42 L135 F141 T146 L147 R148 Y185 L187 L400 L404	I40-L42 HydrophobicContact CD1-CD2 3.89Å; I40-L42 HydrophobicContact CG1-CD2 4.04Å; I40-L135 HydrophobicContact CG2-CD1 3.92Å; I40-F141 HydrophobicContact CG2-CD1 4.37Å; I40-F141 HydrophobicContact CG2-CE1 4.44Å; I40-T146 PolarHBondContact N-O 3.46Å; I40-L147 HydrophobicContact CG2-CB 4.5Å; I40-L147 HydrophobicContact CG2-CD1 3.59Å; I40-R148 PolarHBondContact O-N 2.88Å; I40-Y185 VanDerWaalsContact CA-O 3.32Å; I40-Y185 WeakPolarHBondContact CA-O 3.5Å; I40-L187 HydrophobicContact CD1-CB 3.95Å; I40-L187 HydrophobicContact CD1-CD1 3.9Å; I40-L187 HydrophobicContact CG1-CB 4.32Å; I40-L400 HydrophobicContact CD1-CD1 3.99Å; I40-L404 HydrophobicContact CB-CD1 4.41Å; I40-L404 HydrophobicContact CB-CD2 4.15Å; I40-L404 HydrophobicContact CD1-CD1 3.91Å; I40-L404 HydrophobicContact CD1-CD2 4.18Å; I40-L404 HydrophobicContact CG2-CD1 4.28Å
41	I	98.9	Very high	87.2	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	128.8	171	-53.6	-169.8	0	0	0	109.7	I43 R148 A150 L168 L171 I172 T175 I184 Y185 L186 L187	I41-I43 HydrophobicContact CG2-CD1 3.93Å; I41-R148 CarbonylContact C-O 3.58Å; I41-R148 WeakPolarHBondContact CA-O 3.42Å; I41-R148 HydrophobicContact CG1-CB 4.15Å; I41-R148 HydrophobicContact CG2-CB 4.49Å; I41-A150 HydrophobicContact CG2-CB 4.19Å; I41-L168 HydrophobicContact CG2-CD1 4.48Å; I41-L171 HydrophobicContact CD1-CD2 4.09Å; I41-L171 HydrophobicContact CD1-CG 3.97Å; I41-L171 HydrophobicContact CG2-CD2 4.11Å; I41-I172 HydrophobicContact CD1-CB 4.33Å; I41-I172 HydrophobicContact CD1-CG1 3.55Å; I41-T175 HydrophobicContact CD1-CG2 4.45Å; I41-T175 HydrophobicContact CG1-CG2 4.22Å; I41-I184 HydrophobicContact CD1-CD1 4.44Å; I41-I184 HydrophobicContact CG1-CD1 4.31Å; I41-Y185 PolarHBondContact N-O 3.27Å; I41-L186 HydrophobicContact CB-CD1 3.99Å; I41-L186 HydrophobicContact CG2-CD1 4.18Å; I41-L187 PolarHBondContact O-N 3.22Å
42	L	98.8	Very high	89.5	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	126.9	178.9	-50.5	-178.8	0	0	0	111.5	I40 M128 I131 V132 L147 R148 A149 A150 L187	I40-L42 HydrophobicContact CD1-CD2 3.89Å; I40-L42 HydrophobicContact CG1-CD2 4.04Å; L42-M128 HydrophobicContact CB-SD 3.84Å; L42-M128 HydrophobicContact CD1-CB 4.45Å; L42-M128 HydrophobicContact CD1-SD 4Å; L42-M128 HydrophobicContact CG-SD 4.46Å; L42-I131 HydrophobicContact CD1-CG2 4.12Å; L42-I131 HydrophobicContact CD2-CG2 4.12Å; L42-V132 HydrophobicContact CD1-CG2 3.95Å; L42-L147 HydrophobicContact CD1-CD1 4.07Å; L42-L147 HydrophobicContact CG-CD1 4.16Å; L42-R148 PolarHBondContact N-O 2.72Å; L42-A149 HydrophobicContact CB-CB 4.16Å; L42-A149 VanDerWaalsContact O-CA 3.31Å; L42-A149 WeakPolarHBondContact O-CA 3.34Å; L42-A150 PolarHBondContact O-N 3.03Å; L42-L187 HydrophobicContact CD2-CB 4.09Å; L42-L187 HydrophobicContact CD2-CD1 4.03Å; L42-L187 HydrophobicContact CD2-CD2 4.23Å; L42-L187 HydrophobicContact CD2-CG 4.36Å
43	I	98.7	Very high	92.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	113.3	175	-46.4	-53.5	0	0	0	108.9	I41 A150 Y152 Y164 L168 L186 L187 H189	I41-I43 HydrophobicContact CG2-CD1 3.93Å; I43-A150 HydrophobicContact CD1-CB 3.6Å; I43-Y152 HydrophobicContact CG2-CD1 4.24Å; I43-Y152 HydrophobicContact CG2-CE1 3.75Å; I43-Y164 WeakPolarHBondContact CD1-OH 3.46Å; I43-L168 HydrophobicContact CD1-CD1 4.01Å; I43-L186 HydrophobicContact CD1-CD1 3.89Å; I43-L186 HydrophobicContact CG1-CD1 3.68Å; I43-L186 HydrophobicContact CG1-CG 4.3Å; I43-L187 PolarHBondContact N-O 2.63Å; I43-H189 PolarHBondContact O-N 3.44Å
44	H	98.2	Very high	94.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.125	C	C	.	.			trans	-74.6	163	-175	64	77.1	0	0	0	113.9	G48 T49 Y127 M128 P151 Y152 H189 G192	H44-G48 WeakPolarHBondContact CB-O 3.49Å; H44-T49 VanDerWaalsContact CE1-CG2 3.49Å; H44-T49 WeakPolarHBondContact CE1-CG2 3.28Å; H44-T49 VanDerWaalsContact NE2-CG2 3.28Å; H44-T49 WeakPolarHBondContact NE2-CG2 3.36Å; H44-Y127 HydrophobicContact CB-CE1 3.78Å; H44-M128 HydrophobicContact CB-CE 4.41Å; H44-P151 VanDerWaalsContact NE2-CA 3.31Å; H44-P151 WeakPolarHBondContact NE2-CA 3.45Å; H44-Y152 AromaticContact CE1-CD1 3.5Å; H44-Y152 VanDerWaalsContact CE1-CD1 3.5Å; H44-Y152 WeakPolarHBondContact CE1-CD1 3.3Å; H44-Y152 AromaticContact CE1-CE1 3.32Å; H44-Y152 WeakPolarHBondContact CE1-CE1 3.22Å; H44-Y152 AromaticContact CE1-CZ 3.79Å; H44-Y152 AromaticContact ND1-CE1 3.57Å; H44-Y152 AromaticContact ND1-CZ 3.96Å; H44-Y152 AromaticContact NE2-CD1 3.44Å; H44-Y152 WeakPolarHBondContact NE2-CD1 3.5Å; H44-Y152 AromaticContact NE2-CE1 3.63Å; H44-Y152 PolarHBondContact NE2-N 2.76Å; H44-Y152 VanDerWaalsContact NE2-N 3.19Å; H44-Y152 WeakPolarHBondContact O-CE1 3.31Å; H44-Y152 PolarHBondContact O-OH 3.37Å; H44-H189 CarbonylContact C-O 3.54Å; H44-G192 WeakPolarHBondContact O-CA 3.34Å; H44-G192 PolarHBondContact O-N 3.44Å
45	G	97.8	Very high	95.5	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.01	8%	0.084	C	C	.	.			trans	-78.4	-170.6	171.7	0	0	0	0	0	113.7	G47 G48 Y127 H189	G45-G47 PolarHBondContact O-N 3.29Å; G45-G48 PolarHBondContact O-N 3.02Å; G45-Y127 PolarHBondContact N-OH 3.32Å; G45-H189 WeakPolarHBondContact CA-O 3.28Å; G45-H189 PolarHBondContact N-O 3.12Å
46	I	96.5	Very high	96.2	Very high	59 Å²	59	16.7 Å²	16.7	30%	0.303	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	129.2	173.9	-167.8	167.5	0	0	0	110	G48 F154 L191 A257 M258 L261	I46-G48 PolarHBondContact O-N 3.43Å; I46-F154 HydrophobicContact CG1-CD2 4.11Å; I46-L191 HydrophobicContact CB-CB 4.36Å; I46-L191 HydrophobicContact CB-CD2 3.91Å; I46-L191 HydrophobicContact CG1-CD2 4.39Å; I46-A257 HydrophobicContact CD1-CB 3.99Å; I46-M258 HydrophobicContact CD1-CG 4.46Å; I46-M258 HydrophobicContact CD1-SD 3.52Å; I46-M258 VanDerWaalsContact CD1-SD 3.52Å; I46-L261 HydrophobicContact CD1-CD1 4.3Å
47	G	94.7	Very high	95.9	Very high	6 Å²	6	16 Å²	16	6%	0.062	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	71	4.5	-174.7	0	0	0	0	0	115.3	G45 T49 W68 F154	G45-G47 PolarHBondContact O-N 3.29Å; G47-T49 PolarHBondContact O-N 3.29Å; G47-T49 VanDerWaalsContact O-N 3.15Å; G47-W68 PolarHBondContact O-NE1 2.93Å; G47-F154 VanDerWaalsContact N-CD2 3.3Å; G47-F154 VanDerWaalsContact N-CG 3.32Å
48	G	96.1	Very high	94.9	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.01	14%	0.139	C	C	.	.			trans	-83.5	22.5	-172.4	0	0	0	0	0	115.9	H44 G45 I46 S114	H44-G48 WeakPolarHBondContact CB-O 3.49Å; G45-G48 PolarHBondContact O-N 3.02Å; I46-G48 PolarHBondContact O-N 3.43Å; G48-S114 WeakPolarHBondContact O-CB 3.44Å; G48-S114 PolarHBondContact O-OG 3.5Å
49	T	96.6	Very high	93.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-149.4	158.3	171.5	-165.4	0	0	0	0	110.8	H44 G47 F105 A113 P151 F154	H44-T49 VanDerWaalsContact CE1-CG2 3.49Å; H44-T49 WeakPolarHBondContact CE1-CG2 3.28Å; H44-T49 VanDerWaalsContact NE2-CG2 3.28Å; H44-T49 WeakPolarHBondContact NE2-CG2 3.36Å; G47-T49 PolarHBondContact O-N 3.29Å; G47-T49 VanDerWaalsContact O-N 3.15Å; T49-F105 HydrophobicContact CG2-CB 4.46Å; T49-F105 HydrophobicContact CG2-CD1 3.89Å; T49-A113 VanDerWaalsContact CA-O 3.31Å; T49-A113 WeakPolarHBondContact CA-O 3.01Å; T49-A113 PolarHBondContact OG1-O 2.93Å; T49-P151 HydrophobicContact CG2-CB 4.11Å; T49-F154 HydrophobicContact CG2-CD1 3.94Å; T49-F154 HydrophobicContact CG2-CE1 4.02Å
50	Q	96.7	Very high	92.7	Very high	13 Å²	13	32.6 Å²	32.6	6%	0.061	18%	0.176	C	C	.	.			trans	-61	152.8	173	-62.2	-167.5	18.3	0	0	111.7	W68 P106 A113 Y116 S118	Q50-W68 WeakPolarHBondContact CA-O 3.2Å; Q50-P106 HydrophobicContact CB-CG 4.29Å; Q50-P106 WeakPolarHBondContact O-CD 3.48Å; Q50-A113 HydrophobicContact CB-CB 4.46Å; Q50-A113 PolarHBondContact N-O 3.23Å; Q50-Y116 WeakPolarHBondContact CG-O 3.49Å; Q50-Y116 PolarHBondContact NE2-O 3.2Å; Q50-S118 PolarHBondContact NE2-O 3.42Å
51	V	96.6	Very high	91.3	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	131.5	173.6	-171.8	0	0	0	0	110	S66 I67 W68 M84 V103 E104 F105 F154	V51-S66 WeakPolarHBondContact O-CA 3.41Å; V51-I67 HydrophobicContact CB-CD1 4.44Å; V51-I67 HydrophobicContact CB-CG1 3.86Å; V51-I67 HydrophobicContact CG1-CD1 3.75Å; V51-I67 HydrophobicContact CG1-CG1 3.71Å; V51-I67 WeakPolarHBondContact O-CG1 3.21Å; V51-I67 PolarHBondContact O-N 3.47Å; V51-W68 HydrophobicContact CB-CB 3.62Å; V51-W68 HydrophobicContact CG2-CB 3.61Å; V51-W68 HydrophobicContact CG2-CG 4.03Å; V51-W68 PolarHBondContact N-O 2.86Å; V51-W68 VanDerWaalsContact N-O 3.07Å; V51-W68 PolarHBondContact O-N 3.49Å; V51-M84 HydrophobicContact CG2-CE 4.44Å; V51-V103 HydrophobicContact CG1-CG1 3.32Å; V51-E104 WeakPolarHBondContact CA-O 3.32Å; V51-F105 HydrophobicContact CG1-CE1 4.19Å; V51-F105 HydrophobicContact CG1-CZ 4.34Å; V51-F105 HydrophobicContact CG2-CD1 3.88Å; V51-F105 HydrophobicContact CG2-CE1 3.58Å; V51-F105 HydrophobicContact CG2-CZ 4.44Å; V51-F154 HydrophobicContact CG2-CE1 3.45Å; V51-F154 VanDerWaalsContact CG2-CE1 3.45Å; V51-F154 HydrophobicContact CG2-CZ 3.5Å
52	L	95.7	Very high	90.6	Very high	43 Å²	43	44.6 Å²	44.6	23%	0.225	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	132.6	177.8	-169.8	76.8	0	0	0	109.9	P64 E104	L52-P64 HydrophobicContact CD1-CB 4.09Å; L52-P64 HydrophobicContact CD2-CB 3.91Å; L52-P64 HydrophobicContact CG-CB 4.11Å; L52-E104 HydrophobicContact CB-CB 4.32Å; L52-E104 PolarHBondContact N-O 3.36Å; L52-E104 PolarHBondContact O-N 3.39Å
53	C	95.1	Very high	90.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	120.8	162.1	171.1	0	0	0	0	108.8	P55 P64 F65 I67 C101	C53-P55 WeakPolarHBondContact O-CD 3.44Å; C53-P64 VanDerWaalsContact O-CA 3.31Å; C53-P64 WeakPolarHBondContact O-CA 3.47Å; C53-F65 HydrophobicContact CB-CD1 4.49Å; C53-F65 HydrophobicContact CB-CD2 4.04Å; C53-F65 HydrophobicContact CB-CE1 4.18Å; C53-F65 HydrophobicContact CB-CE2 3.69Å; C53-F65 HydrophobicContact CB-CG 4.43Å; C53-F65 HydrophobicContact CB-CZ 3.76Å; C53-F65 PolarHBondContact N-O 3.49Å; C53-F65 PolarHBondContact O-N 3.29Å; C53-F65 VanDerWaalsContact O-N 3.11Å; C53-F65 WeakPolarHBondContact SG-CZ 3.38Å; C53-I67 HydrophobicContact CB-CD1 4.17Å; C53-I67 HydrophobicContact CB-CG2 3.61Å; C53-C101 HydrophobicContact CB-CB 3.81Å; C53-C101 WeakPolarHBondContact CB-SG 3.35Å; C53-C101 WeakPolarHBondContact SG-CB 3.41Å; C53-C101 CovalentContact SG-SG 2.03Å; C53-C101 PolarHBondContact SG-SG 2.87Å
54	Q	94.5	Very high	89.9	Confident	61 Å²	61	55.8 Å²	55.8	29%	0.285	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	105.4	160.2	-177.4	66.1	49.7	0	0	108.1	C101 N102	Q54-C101 CarbonylContact O-C 3.58Å; Q54-C101 WeakPolarHBondContact O-CA 3.37Å; Q54-N102 HydrophobicContact CB-CB 4.17Å; Q54-N102 WeakPolarHBondContact CB-O 3.42Å; Q54-N102 PolarHBondContact N-O 3.47Å; Q54-N102 PolarHBondContact O-N 3.36Å
55	P	93.3	Very high	89.6	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	144.1	-174.2	-25.6	37	0	0	0	112.3	C53 Q59 T62 F65	C53-P55 WeakPolarHBondContact O-CD 3.44Å; P55-Q59 HydrophobicContact CB-CB 3.85Å; P55-Q59 WeakPolarHBondContact CB-O 3.46Å; P55-T62 HydrophobicContact CG-CG2 4.21Å; P55-F65 HydrophobicContact CG-CD1 4.18Å; P55-F65 HydrophobicContact CG-CE1 3.77Å
56	T	91	Very high	89.4	Confident	41 Å²	41	58 Å²	58	25%	0.252	30%	0.302	S	S	.	.			trans	-125	169	-177.5	58.3	0	0	0	0	112	K58 Q59 G99 L100 N102	T56-K58 PolarHBondContact O-N 3.33Å; T56-Q59 PolarHBondContact O-N 2.93Å; T56-Q59 VanDerWaalsContact O-N 3.09Å; T56-G99 PolarHBondContact OG1-O 3.32Å; T56-L100 PolarHBondContact N-O 3.44Å; T56-L100 PolarHBondContact OG1-O 2.61Å; T56-N102 HydrophobicContact CG2-CB 4.15Å
57	G	84.3	Confident	89.3	Confident	63 Å²	63	55.2 Å²	55.2	65%	0.649	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	57.4	-127.4	176.3	0	0	0	0	0	112.7	Q59 L60	G57-Q59 PolarHBondContact O-N 3.39Å; G57-Q59 VanDerWaalsContact O-N 3.08Å; G57-L60 WeakPolarHBondContact O-CB 3Å; G57-L60 PolarHBondContact O-N 2.97Å; G57-L60 VanDerWaalsContact O-N 3.12Å
58	K	73.3	Confident	89.1	Confident	218 Å²	218	56.3 Å²	56.3	95%	0.948	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-63.3	-15.1	-178.7	-65.6	-173.7	179.2	-177.9	0	113.9	T56	T56-K58 PolarHBondContact O-N 3.33Å
59	Q	75.6	Confident	88.8	Confident	63 Å²	63	57.5 Å²	57.5	29%	0.294	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-98.6	5.8	179.5	-60	-174.3	25.1	0	0	113	P55 T56 G57 H61 T62	P55-Q59 HydrophobicContact CB-CB 3.85Å; P55-Q59 WeakPolarHBondContact CB-O 3.46Å; T56-Q59 PolarHBondContact O-N 2.93Å; T56-Q59 VanDerWaalsContact O-N 3.09Å; G57-Q59 PolarHBondContact O-N 3.39Å; G57-Q59 VanDerWaalsContact O-N 3.08Å; Q59-H61 PolarHBondContact O-N 2.76Å; Q59-T62 WeakPolarHBondContact O-CA 3.45Å; Q59-T62 WeakPolarHBondContact O-CB 3.47Å; Q59-T62 PolarHBondContact O-N 3.48Å; Q59-T62 PolarHBondContact O-OG1 2.82Å; Q59-T62 VanDerWaalsContact O-OG1 3.05Å
60	L	74.8	Confident	88.4	Confident	112 Å²	112	59.5 Å²	59.5	59%	0.586	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-27.6	-173.2	-166.9	71.6	0	0	0	114.4	G57 T62	G57-L60 WeakPolarHBondContact O-CB 3Å; G57-L60 PolarHBondContact O-N 2.97Å; G57-L60 VanDerWaalsContact O-N 3.12Å; L60-T62 PolarHBondContact O-N 2.74Å
61	H	70.3	Confident	87.7	Confident	184 Å²	184	61.2 Å²	61.2	85%	0.852	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-6.4	176.6	-57.1	-60.4	0	0	0	114	Q59	Q59-H61 PolarHBondContact O-N 2.76Å
62	T	83.1	Confident	87.3	Confident	68 Å²	68	64.1 Å²	64.1	42%	0.417	33%	0.331	S	S	.	.	S	Bend	trans	-81.7	135.7	178	-52.6	0	0	0	0	108.8	P55 Q59 L60 F65	P55-T62 HydrophobicContact CG-CG2 4.21Å; Q59-T62 WeakPolarHBondContact O-CA 3.45Å; Q59-T62 WeakPolarHBondContact O-CB 3.47Å; Q59-T62 PolarHBondContact O-N 3.48Å; Q59-T62 PolarHBondContact O-OG1 2.82Å; Q59-T62 VanDerWaalsContact O-OG1 3.05Å; L60-T62 PolarHBondContact O-N 2.74Å; T62-F65 HydrophobicContact CG2-CE1 4.48Å
63	K	90.7	Very high	86.8	Confident	176 Å²	176	63.3 Å²	63.3	77%	0.765	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-62.6	150.2	176.5	-69	-174.6	177.8	-176	0	110.7	F65	K63-F65 WeakPolarHBondContact O-CD1 3.38Å
64	P	92.3	Very high	86.1	Confident	62 Å²	62	64 Å²	64	40%	0.403	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-57	146.8	171	-19.6	33.4	0	0	0	110.6	L52 C53	L52-P64 HydrophobicContact CD1-CB 4.09Å; L52-P64 HydrophobicContact CD2-CB 3.91Å; L52-P64 HydrophobicContact CG-CB 4.11Å; C53-P64 VanDerWaalsContact O-CA 3.31Å; C53-P64 WeakPolarHBondContact O-CA 3.47Å
65	F	92.8	Very high	85.7	Confident	39 Å²	39	64.8 Å²	64.8	17%	0.171	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	145.4	-178.8	57.7	-94.9	0	0	0	112.6	C53 P55 T62 K63 I67 Y73 Y83	C53-F65 HydrophobicContact CB-CD1 4.49Å; C53-F65 HydrophobicContact CB-CD2 4.04Å; C53-F65 HydrophobicContact CB-CE1 4.18Å; C53-F65 HydrophobicContact CB-CE2 3.69Å; C53-F65 HydrophobicContact CB-CG 4.43Å; C53-F65 HydrophobicContact CB-CZ 3.76Å; C53-F65 PolarHBondContact N-O 3.49Å; C53-F65 PolarHBondContact O-N 3.29Å; C53-F65 VanDerWaalsContact O-N 3.11Å; C53-F65 WeakPolarHBondContact SG-CZ 3.38Å; P55-F65 HydrophobicContact CG-CD1 4.18Å; P55-F65 HydrophobicContact CG-CE1 3.77Å; T62-F65 HydrophobicContact CG2-CE1 4.48Å; K63-F65 WeakPolarHBondContact O-CD1 3.38Å; F65-I67 HydrophobicContact CD2-CG2 3.51Å; F65-I67 HydrophobicContact CE2-CG2 3.3Å; F65-I67 HydrophobicContact CZ-CG2 4.43Å; F65-I67 PolarHBondContact O-N 2.87Å; F65-Y73 AromaticContact CD2-CE2 3.89Å; F65-Y73 HydrophobicContact CD2-CE2 3.89Å; F65-Y73 AromaticContact CD2-CZ 3.97Å; F65-Y73 VanDerWaalsContact CD2-OH 3.28Å; F65-Y73 WeakPolarHBondContact CD2-OH 3.39Å; F65-Y73 AromaticContact CE2-CE2 3.9Å; F65-Y73 HydrophobicContact CE2-CE2 3.9Å; F65-Y73 AromaticContact CE2-CZ 3.73Å; F65-Y73 WeakPolarHBondContact CE2-OH 3.44Å; F65-Y83 HydrophobicContact CE2-CD2 4.26Å; F65-Y83 HydrophobicContact CE2-CE2 4.14Å; F65-Y83 HydrophobicContact CZ-CD1 4.35Å; F65-Y83 HydrophobicContact CZ-CD2 4.49Å; F65-Y83 HydrophobicContact CZ-CE1 4.05Å; F65-Y83 HydrophobicContact CZ-CE2 4.17Å; F65-Y83 AromaticContact CZ-CZ 3.95Å
66	S	93.7	Very high	85.4	Confident	8 Å²	8	67.4 Å²	67.4	6%	0.056	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	127.4	175.2	-178.1	0	0	0	0	110.9	V51 N70	V51-S66 WeakPolarHBondContact O-CA 3.41Å; S66-N70 PolarHBondContact O-ND2 2.93Å
67	I	93	Very high	85	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-18	178	59.5	-178.4	0	0	0	113.3	V51 C53 F65 Y73 Y83 M84	V51-I67 HydrophobicContact CB-CD1 4.44Å; V51-I67 HydrophobicContact CB-CG1 3.86Å; V51-I67 HydrophobicContact CG1-CD1 3.75Å; V51-I67 HydrophobicContact CG1-CG1 3.71Å; V51-I67 WeakPolarHBondContact O-CG1 3.21Å; V51-I67 PolarHBondContact O-N 3.47Å; C53-I67 HydrophobicContact CB-CD1 4.17Å; C53-I67 HydrophobicContact CB-CG2 3.61Å; F65-I67 HydrophobicContact CD2-CG2 3.51Å; F65-I67 HydrophobicContact CE2-CG2 3.3Å; F65-I67 HydrophobicContact CZ-CG2 4.43Å; F65-I67 PolarHBondContact O-N 2.87Å; I67-Y73 HydrophobicContact CB-CD2 4.21Å; I67-Y73 HydrophobicContact CB-CE2 4.34Å; I67-Y73 HydrophobicContact CG2-CD2 4.15Å; I67-Y73 HydrophobicContact CG2-CE2 3.83Å; I67-Y83 HydrophobicContact CG2-CD2 4.48Å; I67-M84 HydrophobicContact CD1-CB 3.73Å; I67-M84 HydrophobicContact CD1-CG 4.49Å
68	W	92.5	Very high	85.2	Confident	29 Å²	29	67.5 Å²	67.5	11%	0.11	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	125.3	-179	-177.3	-85.8	0	0	0	110.8	G47 Q50 V51 F74 M84 L117 F154 L238	G47-W68 PolarHBondContact O-NE1 2.93Å; Q50-W68 WeakPolarHBondContact CA-O 3.2Å; V51-W68 HydrophobicContact CB-CB 3.62Å; V51-W68 HydrophobicContact CG2-CB 3.61Å; V51-W68 HydrophobicContact CG2-CG 4.03Å; V51-W68 PolarHBondContact N-O 2.86Å; V51-W68 VanDerWaalsContact N-O 3.07Å; V51-W68 PolarHBondContact O-N 3.49Å; W68-F74 HydrophobicContact CD2-CE2 4.37Å; W68-F74 HydrophobicContact CD2-CZ 4.34Å; W68-F74 AromaticContact CE3-CE2 3.61Å; W68-F74 HydrophobicContact CE3-CE2 3.61Å; W68-F74 AromaticContact CE3-CZ 3.72Å; W68-F74 HydrophobicContact CE3-CZ 3.72Å; W68-F74 HydrophobicContact CH2-CE2 4.4Å; W68-F74 AromaticContact CH2-CZ 3.69Å; W68-F74 HydrophobicContact CH2-CZ 3.69Å; W68-F74 HydrophobicContact CZ2-CZ 4.3Å; W68-F74 AromaticContact CZ3-CE2 3.63Å; W68-F74 HydrophobicContact CZ3-CE2 3.63Å; W68-F74 AromaticContact CZ3-CZ 3.36Å; W68-F74 HydrophobicContact CZ3-CZ 3.36Å; W68-M84 HydrophobicContact CE3-CE 4.43Å; W68-M84 HydrophobicContact CE3-SD 4.28Å; W68-L117 CarbonylContact C-O 3.54Å; W68-F154 HydrophobicContact CD2-CZ 4.23Å; W68-F154 HydrophobicContact CG-CZ 4.17Å; W68-L238 HydrophobicContact CH2-CD1 3.77Å; W68-L238 HydrophobicContact CZ3-CD1 4.01Å
69	I	88.8	Confident	86	Confident	26 Å²	26	61.5 Å²	61.5	13%	0.133	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	cis	-81.6	122.4	-15.6	-65.6	-178.4	0	0	0	108.5	F74 L117 S118 T125	I69-F74 HydrophobicContact CG1-CZ 4.15Å; I69-F74 HydrophobicContact CG2-CE1 4.22Å; I69-F74 HydrophobicContact CG2-CE2 4.19Å; I69-F74 HydrophobicContact CG2-CZ 4.03Å; I69-L117 HydrophobicContact CD1-CB 3.79Å; I69-L117 HydrophobicContact CD1-CD1 3.9Å; I69-L117 HydrophobicContact CG1-CB 3.92Å; I69-L117 PolarHBondContact N-O 2.9Å; I69-S118 WeakPolarHBondContact O-CB 3.39Å; I69-T125 HydrophobicContact CB-CG2 4.42Å; I69-T125 HydrophobicContact CD1-CG2 4.25Å; I69-T125 HydrophobicContact CG2-CG2 4.36Å
70	N	87.3	Confident	86.8	Confident	43 Å²	43	58.6 Å²	58.6	23%	0.23	29%	0.289	C	S	.	.			trans	-124.9	115.1	173.9	-174.5	-46.1	0	0	0	109.6	S66 L72 Y73 F74	S66-N70 PolarHBondContact O-ND2 2.93Å; N70-L72 PolarHBondContact O-N 3.31Å; N70-L72 WeakPolarHBondContact OD1-CB 3.33Å; N70-L72 PolarHBondContact OD1-N 2.94Å; N70-Y73 HydrophobicContact CB-CD2 3.58Å; N70-Y73 HydrophobicContact CB-CE2 4.16Å; N70-Y73 HydrophobicContact CB-CG 4.41Å; N70-Y73 PolarHBondContact O-N 3.04Å; N70-F74 WeakPolarHBondContact O-CD2 3.42Å; N70-F74 PolarHBondContact O-N 2.92Å; N70-F74 VanDerWaalsContact O-N 3.1Å
71	L	83.9	Confident	87.7	Confident	48 Å²	48	54.4 Å²	54.4	25%	0.251	27%	0.267	S	S	.	.	H	α-helix	trans	-57.4	-34.3	-175	-68.1	179	0	0	0	112.9	L9 Y73 F74 L75 Y122 F124	L9-L71 HydrophobicContact CD2-CB 4.35Å; L9-L71 HydrophobicContact CD2-CD1 4.25Å; L71-Y73 VanDerWaalsContact C-N 3.35Å; L71-Y73 PolarHBondContact O-N 3.14Å; L71-F74 PolarHBondContact O-N 3.11Å; L71-L75 WeakPolarHBondContact O-CG 3.44Å; L71-L75 PolarHBondContact O-N 2.82Å; L71-Y122 HydrophobicContact CD1-CD2 4.38Å; L71-Y122 HydrophobicContact CD1-CE2 3.72Å; L71-Y122 HydrophobicContact CG-CE2 4.19Å; L71-F124 HydrophobicContact CD1-CZ 4.2Å; L71-F124 HydrophobicContact CD2-CE2 4.17Å; L71-F124 HydrophobicContact CD2-CZ 3.87Å; L71-F124 HydrophobicContact CG-CZ 4.38Å
72	L	86.6	Confident	88.8	Confident	63 Å²	63	47.7 Å²	47.7	33%	0.33	24%	0.241	S	C	.	.	H	α-helix	trans	-63.4	-42.5	178	177	63.2	0	0	0	111.5	M5 N70 F74 L75 L76	M5-L72 HydrophobicContact CE-CD1 4.11Å; N70-L72 PolarHBondContact O-N 3.31Å; N70-L72 WeakPolarHBondContact OD1-CB 3.33Å; N70-L72 PolarHBondContact OD1-N 2.94Å; L72-F74 VanDerWaalsContact C-N 3.35Å; L72-L75 PolarHBondContact O-N 3.13Å; L72-L76 HydrophobicContact CD1-CD1 4.18Å; L72-L76 PolarHBondContact O-N 2.94Å
73	Y	85.1	Confident	89.3	Confident	25 Å²	25	46.1 Å²	46.1	10%	0.098	23%	0.228	C	C	.	.	H	α-helix	trans	-77.7	-25.5	-178.4	-58.2	-46.8	0	0	0	112.1	F65 I67 N70 L71 L75 L76 K79 L80 Y83	F65-Y73 AromaticContact CD2-CE2 3.89Å; F65-Y73 HydrophobicContact CD2-CE2 3.89Å; F65-Y73 AromaticContact CD2-CZ 3.97Å; F65-Y73 VanDerWaalsContact CD2-OH 3.28Å; F65-Y73 WeakPolarHBondContact CD2-OH 3.39Å; F65-Y73 AromaticContact CE2-CE2 3.9Å; F65-Y73 HydrophobicContact CE2-CE2 3.9Å; F65-Y73 AromaticContact CE2-CZ 3.73Å; F65-Y73 WeakPolarHBondContact CE2-OH 3.44Å; I67-Y73 HydrophobicContact CB-CD2 4.21Å; I67-Y73 HydrophobicContact CB-CE2 4.34Å; I67-Y73 HydrophobicContact CG2-CD2 4.15Å; I67-Y73 HydrophobicContact CG2-CE2 3.83Å; N70-Y73 HydrophobicContact CB-CD2 3.58Å; N70-Y73 HydrophobicContact CB-CE2 4.16Å; N70-Y73 HydrophobicContact CB-CG 4.41Å; N70-Y73 PolarHBondContact O-N 3.04Å; L71-Y73 VanDerWaalsContact C-N 3.35Å; L71-Y73 PolarHBondContact O-N 3.14Å; Y73-L75 VanDerWaalsContact C-N 3.26Å; Y73-L75 PolarHBondContact O-N 2.61Å; Y73-L76 CarbonylContact O-C 3.53Å; Y73-L76 WeakPolarHBondContact O-CA 3.3Å; Y73-L76 PolarHBondContact O-N 3.21Å; Y73-L76 VanDerWaalsContact O-O 3.11Å; Y73-K79 HydrophobicContact CD1-CB 4.21Å; Y73-K79 HydrophobicContact CD1-CD 4.36Å; Y73-K79 HydrophobicContact CE1-CD 4.39Å; Y73-L80 HydrophobicContact CG-CD2 4.32Å; Y73-L80 WeakPolarHBondContact O-CD1 3.11Å; Y73-L80 WeakPolarHBondContact O-CG 3.28Å; Y73-Y83 HydrophobicContact CD1-CE2 4.25Å; Y73-Y83 HydrophobicContact CE1-CD2 4.29Å; Y73-Y83 AromaticContact CE1-CE2 3.7Å; Y73-Y83 HydrophobicContact CE1-CE2 3.7Å
74	F	82.4	Confident	89.6	Confident	15 Å²	15	37.7 Å²	37.7	7%	0.066	19%	0.191	C	C	.	.	H	α-helix	trans	-66.4	-28.6	170	-86.7	-133.4	0	0	0	111.9	W68 I69 N70 L71 L72 L76 L80 L238 I240 F248	W68-F74 HydrophobicContact CD2-CE2 4.37Å; W68-F74 HydrophobicContact CD2-CZ 4.34Å; W68-F74 AromaticContact CE3-CE2 3.61Å; W68-F74 HydrophobicContact CE3-CE2 3.61Å; W68-F74 AromaticContact CE3-CZ 3.72Å; W68-F74 HydrophobicContact CE3-CZ 3.72Å; W68-F74 HydrophobicContact CH2-CE2 4.4Å; W68-F74 AromaticContact CH2-CZ 3.69Å; W68-F74 HydrophobicContact CH2-CZ 3.69Å; W68-F74 HydrophobicContact CZ2-CZ 4.3Å; W68-F74 AromaticContact CZ3-CE2 3.63Å; W68-F74 HydrophobicContact CZ3-CE2 3.63Å; W68-F74 AromaticContact CZ3-CZ 3.36Å; W68-F74 HydrophobicContact CZ3-CZ 3.36Å; I69-F74 HydrophobicContact CG1-CZ 4.15Å; I69-F74 HydrophobicContact CG2-CE1 4.22Å; I69-F74 HydrophobicContact CG2-CE2 4.19Å; I69-F74 HydrophobicContact CG2-CZ 4.03Å; N70-F74 WeakPolarHBondContact O-CD2 3.42Å; N70-F74 PolarHBondContact O-N 2.92Å; N70-F74 VanDerWaalsContact O-N 3.1Å; L71-F74 PolarHBondContact O-N 3.11Å; L72-F74 VanDerWaalsContact C-N 3.35Å; F74-L76 VanDerWaalsContact C-N 3.32Å; F74-L80 HydrophobicContact CD2-CD1 3.9Å; F74-L80 HydrophobicContact CE2-CD1 4.19Å; F74-L238 HydrophobicContact CE1-CB 4.29Å; F74-L238 HydrophobicContact CE1-CD1 3.76Å; F74-L238 HydrophobicContact CZ-CD1 3.88Å; F74-I240 HydrophobicContact CB-CD1 3.66Å; F74-I240 HydrophobicContact CB-CG1 4.46Å; F74-I240 HydrophobicContact CD1-CD1 3.31Å; F74-I240 HydrophobicContact CD1-CG1 3.79Å; F74-I240 HydrophobicContact CE1-CD1 4.19Å; F74-I240 HydrophobicContact CG-CD1 3.81Å; F74-F248 WeakPolarHBondContact O-CZ 3.39Å
75	L	84.5	Confident	89.8	Confident	77 Å²	77	34.8 Å²	34.8	40%	0.403	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-15.5	169.8	-65.3	172.9	0	0	0	113.5	M5 L71 L72 Y73	M5-L75 HydrophobicContact CE-CD1 4.43Å; L71-L75 WeakPolarHBondContact O-CG 3.44Å; L71-L75 PolarHBondContact O-N 2.82Å; L72-L75 PolarHBondContact O-N 3.13Å; Y73-L75 VanDerWaalsContact C-N 3.26Å; Y73-L75 PolarHBondContact O-N 2.61Å
76	L	87.3	Confident	90	Very high	56 Å²	56	33.3 Å²	33.3	29%	0.293	17%	0.166	S	C	.	.			trans	-131.5	65.1	-174.8	-60	175.6	0	0	0	110.8	L72 Y73 F74 E78 K79 L80	L72-L76 HydrophobicContact CD1-CD1 4.18Å; L72-L76 PolarHBondContact O-N 2.94Å; Y73-L76 CarbonylContact O-C 3.53Å; Y73-L76 WeakPolarHBondContact O-CA 3.3Å; Y73-L76 PolarHBondContact O-N 3.21Å; Y73-L76 VanDerWaalsContact O-O 3.11Å; F74-L76 VanDerWaalsContact C-N 3.32Å; L76-E78 PolarHBondContact O-N 2.73Å; L76-E78 VanDerWaalsContact O-N 3.08Å; L76-K79 HydrophobicContact CB-CB 4.3Å; L76-K79 HydrophobicContact CB-CD 4.29Å; L76-K79 HydrophobicContact CB-CG 4.22Å; L76-K79 HydrophobicContact CD1-CD 3.9Å; L76-K79 WeakPolarHBondContact O-CA 3.39Å; L76-K79 WeakPolarHBondContact O-CB 3.23Å; L76-K79 PolarHBondContact O-N 2.86Å; L76-L80 PolarHBondContact O-N 2.74Å
77	P	84	Confident	90.1	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.013	18%	0.177	C	C	.	.	H	α-helix	trans	-60.5	-23	-173.6	24.9	-34.6	0	0	0	113.8	K79 L80 L81 A247 F248	P77-K79 PolarHBondContact O-N 3.39Å; P77-L80 WeakPolarHBondContact O-CB 3.34Å; P77-L80 PolarHBondContact O-N 3.17Å; P77-L80 VanDerWaalsContact O-N 3.16Å; P77-L81 PolarHBondContact O-N 3.26Å; P77-A247 WeakPolarHBondContact CB-O 3.29Å; P77-A247 HydrophobicContact CG-CB 3.78Å; P77-A247 WeakPolarHBondContact CG-O 3.15Å; P77-F248 HydrophobicContact CB-CD1 3.87Å; P77-F248 HydrophobicContact CB-CE1 3.75Å; P77-F248 HydrophobicContact CB-CE2 4.47Å; P77-F248 HydrophobicContact CB-CG 4.29Å; P77-F248 HydrophobicContact CB-CZ 4.05Å; P77-F248 HydrophobicContact CG-CE1 4.48Å; P77-F248 HydrophobicContact CG-CE2 4.45Å; P77-F248 HydrophobicContact CG-CZ 4.29Å
78	E	88.3	Confident	90.3	Very high	103 Å²	103	36.8 Å²	36.8	48%	0.481	18%	0.182	S	C	.	.	H	α-helix	trans	-63.7	-32.3	173.7	-50.6	78.8	-170.9	0	0	111.1	L76 S82 R243	L76-E78 PolarHBondContact O-N 2.73Å; L76-E78 VanDerWaalsContact O-N 3.08Å; E78-S82 PolarHBondContact O-N 3.4Å; E78-S82 VanDerWaalsContact O-N 3.14Å; E78-S82 PolarHBondContact O-OG 3.48Å; E78-R243 IonicContact OE1-NH2 3.15Å; E78-R243 PolarHBondContact OE1-NH2 2.77Å; E78-R243 VanDerWaalsContact OE1-NH2 3.15Å
79	K	90.3	Very high	90.5	Very high	92 Å²	92	38.1 Å²	38.1	40%	0.4	19%	0.191	S	C	.	.	H	α-helix	trans	-73.9	-40	171.2	-69.6	-168	176.5	-176.7	0	112.1	Y73 L76 P77 L81 S82 Y83	Y73-K79 HydrophobicContact CD1-CB 4.21Å; Y73-K79 HydrophobicContact CD1-CD 4.36Å; Y73-K79 HydrophobicContact CE1-CD 4.39Å; L76-K79 HydrophobicContact CB-CB 4.3Å; L76-K79 HydrophobicContact CB-CD 4.29Å; L76-K79 HydrophobicContact CB-CG 4.22Å; L76-K79 HydrophobicContact CD1-CD 3.9Å; L76-K79 WeakPolarHBondContact O-CA 3.39Å; L76-K79 WeakPolarHBondContact O-CB 3.23Å; L76-K79 PolarHBondContact O-N 2.86Å; P77-K79 PolarHBondContact O-N 3.39Å; K79-L81 VanDerWaalsContact C-N 3.29Å; K79-L81 PolarHBondContact O-N 2.88Å; K79-S82 WeakPolarHBondContact O-CB 3.47Å; K79-S82 PolarHBondContact O-N 3.06Å; K79-S82 VanDerWaalsContact O-N 3.1Å; K79-Y83 HydrophobicContact CB-CD2 4.29Å; K79-Y83 HydrophobicContact CB-CE2 4.07Å; K79-Y83 WeakPolarHBondContact O-CD2 3.38Å; K79-Y83 PolarHBondContact O-N 2.95Å
80	L	91.7	Very high	90.7	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-56.4	-48.2	173	-72.5	172.7	0	0	0	110.1	Y73 F74 L76 P77 S82 Y83 M84 F248 I251	Y73-L80 HydrophobicContact CG-CD2 4.32Å; Y73-L80 WeakPolarHBondContact O-CD1 3.11Å; Y73-L80 WeakPolarHBondContact O-CG 3.28Å; F74-L80 HydrophobicContact CD2-CD1 3.9Å; F74-L80 HydrophobicContact CE2-CD1 4.19Å; L76-L80 PolarHBondContact O-N 2.74Å; P77-L80 WeakPolarHBondContact O-CB 3.34Å; P77-L80 PolarHBondContact O-N 3.17Å; P77-L80 VanDerWaalsContact O-N 3.16Å; L80-S82 PolarHBondContact O-N 3.18Å; L80-Y83 PolarHBondContact O-N 3.36Å; L80-Y83 VanDerWaalsContact O-N 3.16Å; L80-M84 HydrophobicContact CD2-SD 4.21Å; L80-M84 WeakPolarHBondContact O-CG 2.96Å; L80-M84 PolarHBondContact O-N 3.46Å; L80-F248 HydrophobicContact CD1-CE1 4.17Å; L80-I251 HydrophobicContact CB-CD1 3.44Å; L80-I251 VanDerWaalsContact CB-CD1 3.44Å
81	L	93.9	Very high	91	Very high	24 Å²	24	48.6 Å²	48.6	13%	0.126	24%	0.243	C	C	.	.	H	α-helix	trans	-58.5	-38.9	177.6	176.3	64.4	0	0	0	111.4	P77 K79 G85 R98 D250 I251	P77-L81 PolarHBondContact O-N 3.26Å; K79-L81 VanDerWaalsContact C-N 3.29Å; K79-L81 PolarHBondContact O-N 2.88Å; L81-G85 VanDerWaalsContact O-CA 3.26Å; L81-G85 WeakPolarHBondContact O-CA 3.43Å; L81-G85 PolarHBondContact O-N 3.48Å; L81-G85 VanDerWaalsContact O-N 3.09Å; L81-R98 VanDerWaalsContact CG-NH1 3.33Å; L81-R98 WeakPolarHBondContact O-CD 3.4Å; L81-D250 HydrophobicContact CD1-CB 4.49Å; L81-D250 HydrophobicContact CD2-CB 3.83Å; L81-I251 HydrophobicContact CB-CB 4.12Å; L81-I251 HydrophobicContact CD1-CB 4.13Å
82	S	93.4	Very high	91.6	Very high	43 Å²	43	49.9 Å²	49.9	30%	0.301	25%	0.253	S	S	.	.	H	α-helix	trans	-68.3	-38.3	178.9	-59.4	0	0	0	0	112.6	E78 K79 L80	E78-S82 PolarHBondContact O-N 3.4Å; E78-S82 VanDerWaalsContact O-N 3.14Å; E78-S82 PolarHBondContact O-OG 3.48Å; K79-S82 WeakPolarHBondContact O-CB 3.47Å; K79-S82 PolarHBondContact O-N 3.06Å; K79-S82 VanDerWaalsContact O-N 3.1Å; L80-S82 PolarHBondContact O-N 3.18Å
83	Y	94.1	Very high	91.9	Very high	35 Å²	35	52 Å²	52	14%	0.137	26%	0.26	C	S	.	.	H	α-helix	trans	-86.9	-42.6	-175.6	-66	-44	0	0	0	114.4	F65 I67 Y73 K79 L80 L100 C101 V103	F65-Y83 HydrophobicContact CE2-CD2 4.26Å; F65-Y83 HydrophobicContact CE2-CE2 4.14Å; F65-Y83 HydrophobicContact CZ-CD1 4.35Å; F65-Y83 HydrophobicContact CZ-CD2 4.49Å; F65-Y83 HydrophobicContact CZ-CE1 4.05Å; F65-Y83 HydrophobicContact CZ-CE2 4.17Å; F65-Y83 AromaticContact CZ-CZ 3.95Å; I67-Y83 HydrophobicContact CG2-CD2 4.48Å; Y73-Y83 HydrophobicContact CD1-CE2 4.25Å; Y73-Y83 HydrophobicContact CE1-CD2 4.29Å; Y73-Y83 AromaticContact CE1-CE2 3.7Å; Y73-Y83 HydrophobicContact CE1-CE2 3.7Å; K79-Y83 HydrophobicContact CB-CD2 4.29Å; K79-Y83 HydrophobicContact CB-CE2 4.07Å; K79-Y83 WeakPolarHBondContact O-CD2 3.38Å; K79-Y83 PolarHBondContact O-N 2.95Å; L80-Y83 PolarHBondContact O-N 3.36Å; L80-Y83 VanDerWaalsContact O-N 3.16Å; Y83-L100 HydrophobicContact CD1-CB 4.22Å; Y83-L100 HydrophobicContact CD1-CD1 4.39Å; Y83-L100 HydrophobicContact CE1-CD1 4.47Å; Y83-C101 WeakPolarHBondContact CD1-SG 3.47Å; Y83-C101 WeakPolarHBondContact O-CB 3.43Å; Y83-V103 WeakPolarHBondContact O-CG2 3.36Å
84	M	95.4	Very high	92.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-122	-1.9	-174.9	72.3	-176.3	-61.9	0	0	114.8	V51 I67 W68 L80 V103 F154 R155 I251 F255	V51-M84 HydrophobicContact CG2-CE 4.44Å; I67-M84 HydrophobicContact CD1-CB 3.73Å; I67-M84 HydrophobicContact CD1-CG 4.49Å; W68-M84 HydrophobicContact CE3-CE 4.43Å; W68-M84 HydrophobicContact CE3-SD 4.28Å; L80-M84 HydrophobicContact CD2-SD 4.21Å; L80-M84 WeakPolarHBondContact O-CG 2.96Å; L80-M84 PolarHBondContact O-N 3.46Å; M84-V103 HydrophobicContact CB-CG2 4.42Å; M84-F154 HydrophobicContact CE-CE2 4.12Å; M84-F154 HydrophobicContact CE-CZ 4.12Å; M84-R155 HydrophobicContact CE-CG 4.28Å; M84-R155 VanDerWaalsContact O-CD 3.25Å; M84-R155 WeakPolarHBondContact O-CD 3.43Å; M84-R155 PolarHBondContact O-NH1 3.27Å; M84-I251 HydrophobicContact CG-CD1 3.71Å; M84-I251 HydrophobicContact SD-CD1 4.12Å; M84-F255 HydrophobicContact CE-CE2 4.37Å; M84-F255 HydrophobicContact CE-CZ 3.77Å; M84-F255 HydrophobicContact CG-CZ 4.18Å; M84-F255 HydrophobicContact SD-CZ 4.35Å
85	G	96.2	Very high	93.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.282	C	S	.	.			trans	-62.3	144.9	172.9	0	0	0	0	0	111.6	L81 R98 S254	L81-G85 VanDerWaalsContact O-CA 3.26Å; L81-G85 WeakPolarHBondContact O-CA 3.43Å; L81-G85 PolarHBondContact O-N 3.48Å; L81-G85 VanDerWaalsContact O-N 3.09Å; G85-R98 WeakPolarHBondContact O-CG 3.3Å; G85-S254 WeakPolarHBondContact CA-OG 3.05Å
86	L	97.6	Very high	93.7	Very high	8 Å²	8	59.6 Å²	59.6	4%	0.042	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	159	176.8	-66.6	168.5	0	0	0	111.4	T95 R96 D97 R155 K156 S254 F255	L86-T95 HydrophobicContact CB-CG2 4.28Å; L86-T95 HydrophobicContact CD1-CG2 4.3Å; L86-R96 WeakPolarHBondContact CA-O 3.39Å; L86-D97 WeakPolarHBondContact CD2-OD1 3.44Å; L86-R155 HydrophobicContact CD1-CB 3.65Å; L86-R155 HydrophobicContact CG-CB 4.48Å; L86-K156 HydrophobicContact CD1-CG 4Å; L86-S254 WeakPolarHBondContact CB-O 3.48Å; L86-S254 PolarHBondContact N-OG 3.35Å; L86-F255 HydrophobicContact CD1-CD1 4.5Å
87	I	96.9	Very high	94.1	Very high	56 Å²	56	58.8 Å²	58.8	29%	0.287	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	117.7	168.6	-60.6	168.7	0	0	0	106.8	T95 R96 R98	I87-T95 VanDerWaalsContact O-CA 3.3Å; I87-T95 WeakPolarHBondContact O-CA 3.44Å; I87-R96 HydrophobicContact CB-CG 4.26Å; I87-R96 PolarHBondContact N-O 3.45Å; I87-R96 PolarHBondContact O-N 3.29Å; I87-R98 HydrophobicContact CD1-CG 3.82Å; I87-R98 HydrophobicContact CG1-CG 3.73Å
88	Y	96.9	Very high	94.5	Very high	26 Å²	26	64 Å²	64	10%	0.102	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	134.5	172.3	177.9	-85.9	0	0	0	110.7	P90 T95 Q298 I302 E305	Y88-P90 HydrophobicContact CD1-CG 4.12Å; Y88-P90 HydrophobicContact CE1-CB 4.16Å; Y88-P90 HydrophobicContact CE1-CG 4.15Å; Y88-T95 HydrophobicContact CD2-CG2 3.92Å; Y88-T95 HydrophobicContact CG-CG2 4.42Å; Y88-Q298 VanDerWaalsContact CB-NE2 3.35Å; Y88-Q298 HydrophobicContact CD1-CG 4.14Å; Y88-Q298 HydrophobicContact CE1-CG 4.43Å; Y88-I302 HydrophobicContact CD2-CD1 3.73Å; Y88-I302 HydrophobicContact CD2-CG1 3.82Å; Y88-I302 HydrophobicContact CE1-CG1 4.33Å; Y88-I302 HydrophobicContact CE2-CD1 4Å; Y88-I302 HydrophobicContact CE2-CG1 3.52Å; Y88-I302 HydrophobicContact CG-CD1 4.02Å; Y88-I302 HydrophobicContact CG-CG1 4.38Å; Y88-E305 PolarHBondContact OH-OE1 2.96Å; Y88-E305 PolarHBondContact OH-OE2 2.86Å
89	D	96.1	Very high	94.5	Very high	57 Å²	57	61.3 Å²	61.3	31%	0.305	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	110.5	173.3	172.8	9.1	0	0	0	110	K91 T92 K93 Q94	D89-K91 PolarHBondContact O-N 2.87Å; D89-K91 VanDerWaalsContact O-N 3.14Å; D89-K91 WeakPolarHBondContact OD1-CB 3.37Å; D89-K91 PolarHBondContact OD1-N 3.45Å; D89-T92 VanDerWaalsContact CB-OG1 3.32Å; D89-T92 WeakPolarHBondContact CB-OG1 3.23Å; D89-T92 PolarHBondContact O-N 3.26Å; D89-T92 VanDerWaalsContact OD2-CG2 3.27Å; D89-T92 WeakPolarHBondContact OD2-CG2 3.22Å; D89-T92 PolarHBondContact OD2-OG1 2.96Å; D89-K93 WeakPolarHBondContact O-CA 3.49Å; D89-K93 PolarHBondContact O-N 2.79Å; D89-Q94 PolarHBondContact N-O 2.76Å
90	P	92.8	Very high	94.6	Very high	94 Å²	94	59.9 Å²	59.9	61%	0.61	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.8	-179.9	-21.8	33	0	0	0	115.2	Y88	Y88-P90 HydrophobicContact CD1-CG 4.12Å; Y88-P90 HydrophobicContact CE1-CB 4.16Å; Y88-P90 HydrophobicContact CE1-CG 4.15Å
91	K	94.5	Very high	94.7	Very high	194 Å²	194	60 Å²	60	84%	0.843	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-46.4	178.7	-65.2	-176.5	177.8	-178	0	111.3	D89	D89-K91 PolarHBondContact O-N 2.87Å; D89-K91 VanDerWaalsContact O-N 3.14Å; D89-K91 WeakPolarHBondContact OD1-CB 3.37Å; D89-K91 PolarHBondContact OD1-N 3.45Å
92	T	95.2	Very high	94.7	Very high	75 Å²	75	62.4 Å²	62.4	46%	0.46	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-12.6	-177.9	56.7	0	0	0	0	112.8	D89 Q94	D89-T92 VanDerWaalsContact CB-OG1 3.32Å; D89-T92 WeakPolarHBondContact CB-OG1 3.23Å; D89-T92 PolarHBondContact O-N 3.26Å; D89-T92 VanDerWaalsContact OD2-CG2 3.27Å; D89-T92 WeakPolarHBondContact OD2-CG2 3.22Å; D89-T92 PolarHBondContact OD2-OG1 2.96Å; T92-Q94 PolarHBondContact O-N 3.12Å
93	K	93.9	Very high	94.8	Very high	109 Å²	109	61 Å²	61	47%	0.474	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	32.7	-175.5	-56.2	170.5	171.7	-116.5	0	112.1	D89 E305	D89-K93 WeakPolarHBondContact O-CA 3.49Å; D89-K93 PolarHBondContact O-N 2.79Å; K93-E305 WeakPolarHBondContact CD-OE1 3.38Å; K93-E305 VanDerWaalsContact CE-OE1 3.28Å; K93-E305 WeakPolarHBondContact CE-OE1 3.45Å; K93-E305 VanDerWaalsContact CG-OE1 3.28Å; K93-E305 WeakPolarHBondContact CG-OE1 3.32Å; K93-E305 IonicContact NZ-OE1 3.13Å; K93-E305 PolarHBondContact NZ-OE1 3.42Å
94	Q	95.4	Very high	94.9	Very high	119 Å²	119	62.9 Å²	62.9	56%	0.556	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.6	159.7	-176.4	-73.5	-177.6	43.2	0	0	110.9	D89 T92 E160	D89-Q94 PolarHBondContact N-O 2.76Å; T92-Q94 PolarHBondContact O-N 3.12Å; Q94-E160 WeakPolarHBondContact CA-OE1 3.44Å
95	T	97	Very high	95	Very high	11 Å²	11	64.5 Å²	64.5	7%	0.067	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	145.2	176.8	56.5	0	0	0	0	112.3	L86 I87 Y88 K156 E160 P256	L86-T95 HydrophobicContact CB-CG2 4.28Å; L86-T95 HydrophobicContact CD1-CG2 4.3Å; I87-T95 VanDerWaalsContact O-CA 3.3Å; I87-T95 WeakPolarHBondContact O-CA 3.44Å; Y88-T95 HydrophobicContact CD2-CG2 3.92Å; Y88-T95 HydrophobicContact CG-CG2 4.42Å; T95-K156 PolarHBondContact O-NZ 3.06Å; T95-K156 VanDerWaalsContact O-NZ 3.07Å; T95-K156 VanDerWaalsContact OG1-CE 3.25Å; T95-K156 WeakPolarHBondContact OG1-CE 3.45Å; T95-K156 PolarHBondContact OG1-NZ 3.33Å; T95-E160 WeakPolarHBondContact CB-OE1 3.29Å; T95-E160 PolarHBondContact N-OE1 2.95Å; T95-E160 PolarHBondContact OG1-OE1 2.89Å; T95-E160 PolarHBondContact OG1-OE2 3.48Å; T95-P256 HydrophobicContact CG2-CG 3.32Å
96	R	96.3	Very high	95	Very high	145 Å²	145	66 Å²	66	55%	0.547	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	155.4	171.9	62.3	-179.9	-179.1	81.8	-2.4	111	L86 I87	L86-R96 WeakPolarHBondContact CA-O 3.39Å; I87-R96 HydrophobicContact CB-CG 4.26Å; I87-R96 PolarHBondContact N-O 3.45Å; I87-R96 PolarHBondContact O-N 3.29Å
97	D	95.5	Very high	95	Very high	40 Å²	40	66.3 Å²	66.3	21%	0.214	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	155.1	172.2	-67.3	-42.4	0	0	0	111.5	L86 G99 R155	L86-D97 WeakPolarHBondContact CD2-OD1 3.44Å; D97-G99 PolarHBondContact O-N 2.92Å; D97-R155 IonicContact OD1-CZ 3.26Å; D97-R155 VanDerWaalsContact OD1-CZ 3.26Å; D97-R155 IonicContact OD1-NH1 2.72Å; D97-R155 PolarHBondContact OD1-NH1 3.39Å; D97-R155 IonicContact OD1-NH2 2.89Å; D97-R155 PolarHBondContact OD1-NH2 2.95Å
98	R	93.7	Very high	95	Very high	111 Å²	111	67.3 Å²	67.3	42%	0.419	34%	0.336	S	S	.	.			trans	-69.2	-12.3	176.7	-82.1	-179.7	153.5	-148.9	-4.6	114.4	L81 G85 I87	L81-R98 VanDerWaalsContact CG-NH1 3.33Å; L81-R98 WeakPolarHBondContact O-CD 3.4Å; G85-R98 WeakPolarHBondContact O-CG 3.3Å; I87-R98 HydrophobicContact CD1-CG 3.82Å; I87-R98 HydrophobicContact CG1-CG 3.73Å
99	G	88.8	Confident	95.1	Very high	47 Å²	47	66.1 Å²	66.1	49%	0.485	33%	0.331	S	S	.	.	S	Bend	trans	87.5	14.6	172.5	0	0	0	0	0	115.4	T56 D97	T56-G99 PolarHBondContact OG1-O 3.32Å; D97-G99 PolarHBondContact O-N 2.92Å
100	L	91.9	Very high	95.2	Very high	62 Å²	62	64.8 Å²	64.8	33%	0.325	32%	0.324	S	S	.	.	S	Bend	trans	-89.2	-35.8	164.6	-69.8	-178.9	0	0	0	111.7	T56 Y83	T56-L100 PolarHBondContact N-O 3.44Å; T56-L100 PolarHBondContact OG1-O 2.61Å; Y83-L100 HydrophobicContact CD1-CB 4.22Å; Y83-L100 HydrophobicContact CD1-CD1 4.39Å; Y83-L100 HydrophobicContact CE1-CD1 4.47Å
101	C	93.3	Very high	95.5	Very high	3 Å²	3	60.3 Å²	60.3	2%	0.02	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	142.3	175.9	-57.7	0	0	0	0	109.7	C53 Q54 Y83 V103	C53-C101 HydrophobicContact CB-CB 3.81Å; C53-C101 WeakPolarHBondContact CB-SG 3.35Å; C53-C101 WeakPolarHBondContact SG-CB 3.41Å; C53-C101 CovalentContact SG-SG 2.03Å; C53-C101 PolarHBondContact SG-SG 2.87Å; Q54-C101 CarbonylContact O-C 3.58Å; Q54-C101 WeakPolarHBondContact O-CA 3.37Å; Y83-C101 WeakPolarHBondContact CD1-SG 3.47Å; Y83-C101 WeakPolarHBondContact O-CB 3.43Å; C101-V103 HydrophobicContact CB-CG2 3.96Å
102	N	93.7	Very high	95.5	Very high	76 Å²	76	56.2 Å²	56.2	41%	0.406	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	113.7	147.5	-178.8	49.8	0	0	0	106	Q54 T56 E104	Q54-N102 HydrophobicContact CB-CB 4.17Å; Q54-N102 WeakPolarHBondContact CB-O 3.42Å; Q54-N102 PolarHBondContact N-O 3.47Å; Q54-N102 PolarHBondContact O-N 3.36Å; T56-N102 HydrophobicContact CG2-CB 4.15Å; N102-E104 PolarHBondContact ND2-OE1 2.96Å; N102-E104 VanDerWaalsContact ND2-OE1 3.14Å
103	V	96.4	Very high	95.6	Very high	12 Å²	12	52.7 Å²	52.7	7%	0.073	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	122.9	-171.5	-179	0	0	0	0	109.4	V51 Y83 M84 C101 F105	V51-V103 HydrophobicContact CG1-CG1 3.32Å; Y83-V103 WeakPolarHBondContact O-CG2 3.36Å; M84-V103 HydrophobicContact CB-CG2 4.42Å; C101-V103 HydrophobicContact CB-CG2 3.96Å; V103-F105 HydrophobicContact CG1-CE2 3.97Å; V103-F105 HydrophobicContact CG1-CZ 3.95Å
104	E	96.3	Very high	95.7	Very high	75 Å²	75	47.7 Å²	47.7	35%	0.35	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	145.9	-175	-65.3	-177.9	-173.9	0	0	111.9	V51 L52 N102 P106	V51-E104 WeakPolarHBondContact CA-O 3.32Å; L52-E104 HydrophobicContact CB-CB 4.32Å; L52-E104 PolarHBondContact N-O 3.36Å; L52-E104 PolarHBondContact O-N 3.39Å; N102-E104 PolarHBondContact ND2-OE1 2.96Å; N102-E104 VanDerWaalsContact ND2-OE1 3.14Å; E104-P106 WeakPolarHBondContact O-CD 3.29Å
105	F	97.1	Very high	95.8	Very high	34 Å²	34	42.8 Å²	42.8	15%	0.149	21%	0.208	C	C	.	.			trans	-115.2	90.2	179.2	-59.1	-92.6	0	0	0	107	T49 V51 V103 P151 Y152 D153 F154 R155	T49-F105 HydrophobicContact CG2-CB 4.46Å; T49-F105 HydrophobicContact CG2-CD1 3.89Å; V51-F105 HydrophobicContact CG1-CE1 4.19Å; V51-F105 HydrophobicContact CG1-CZ 4.34Å; V51-F105 HydrophobicContact CG2-CD1 3.88Å; V51-F105 HydrophobicContact CG2-CE1 3.58Å; V51-F105 HydrophobicContact CG2-CZ 4.44Å; V103-F105 HydrophobicContact CG1-CE2 3.97Å; V103-F105 HydrophobicContact CG1-CZ 3.95Å; F105-P151 HydrophobicContact CB-CB 4.46Å; F105-Y152 WeakPolarHBondContact CD1-O 3.42Å; F105-Y152 WeakPolarHBondContact CG-O 3.28Å; F105-D153 HydrophobicContact CD2-CB 3.91Å; F105-D153 VanDerWaalsContact CE2-CA 3.45Å; F105-D153 HydrophobicContact CE2-CB 3.39Å; F105-D153 VanDerWaalsContact CZ-CA 3.46Å; F105-D153 HydrophobicContact CZ-CB 3.76Å; F105-D153 VanDerWaalsContact CZ-CG 3.41Å; F105-D153 WeakPolarHBondContact CZ-OD1 3.49Å; F105-F154 HydrophobicContact CD1-CD1 4.06Å; F105-F154 HydrophobicContact CD1-CE1 4.06Å; F105-F154 AromaticContact CE1-CD1 3.72Å; F105-F154 HydrophobicContact CE1-CD1 3.72Å; F105-F154 AromaticContact CE1-CE1 3.65Å; F105-F154 HydrophobicContact CE1-CE1 3.65Å; F105-F154 HydrophobicContact CE1-CG 4.35Å; F105-F154 HydrophobicContact CE1-CZ 4.2Å; F105-R155 HydrophobicContact CZ-CG 4.48Å
106	P	96.8	Very high	95.7	Very high	33 Å²	33	43 Å²	43	21%	0.214	21%	0.208	C	C	.	.			trans	-73.5	172.6	-170.6	33.5	-38.2	0	0	0	112	Q50 E104 W112 A113 P151	Q50-P106 HydrophobicContact CB-CG 4.29Å; Q50-P106 WeakPolarHBondContact O-CD 3.48Å; E104-P106 WeakPolarHBondContact O-CD 3.29Å; P106-W112 HydrophobicContact CB-CH2 3.7Å; P106-W112 HydrophobicContact CB-CZ2 3.92Å; P106-W112 HydrophobicContact CG-CH2 3.71Å; P106-W112 HydrophobicContact CG-CZ2 4.38Å; P106-W112 HydrophobicContact CG-CZ3 4.47Å; P106-A113 VanDerWaalsContact O-CB 3.31Å; P106-A113 WeakPolarHBondContact O-CB 3.43Å; P106-P151 VanDerWaalsContact O-CG 3.23Å; P106-P151 WeakPolarHBondContact O-CG 3.4Å
107	G	96.4	Very high	95.5	Very high	13 Å²	13	37.1 Å²	37.1	13%	0.134	19%	0.187	C	C	.	.			trans	85.9	26	175.1	0	0	0	0	0	114.6	G109 D110	G107-G109 PolarHBondContact O-N 3.33Å; G107-G109 VanDerWaalsContact O-N 3.15Å; G107-D110 PolarHBondContact O-N 2.91Å; G107-D110 VanDerWaalsContact O-N 3.07Å
108	W	98.2	Very high	95.4	Very high	78 Å²	78	35.2 Å²	35.2	30%	0.295	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	121	177.3	-176.2	-95.8	0	0	0	112.1	D110 A150 P151 Y164 K167 L171	W108-D110 PolarHBondContact O-N 3.45Å; W108-A150 HydrophobicContact CH2-CB 3.93Å; W108-A150 HydrophobicContact CZ3-CB 3.91Å; W108-P151 WeakPolarHBondContact CZ3-O 3.24Å; W108-Y164 AromaticContact CH2-CD2 3.96Å; W108-Y164 HydrophobicContact CH2-CD2 3.96Å; W108-Y164 AromaticContact CH2-CE2 3.96Å; W108-Y164 HydrophobicContact CH2-CE2 3.96Å; W108-Y164 AromaticContact CZ3-CD2 3.64Å; W108-Y164 HydrophobicContact CZ3-CD2 3.64Å; W108-Y164 AromaticContact CZ3-CE2 3.68Å; W108-Y164 HydrophobicContact CZ3-CE2 3.68Å; W108-K167 HydrophobicContact CH2-CB 3.63Å; W108-K167 HydrophobicContact CZ2-CB 3.38Å; W108-K167 WeakPolarHBondContact CZ2-O 3.47Å; W108-L171 HydrophobicContact CZ2-CB 4.01Å; W108-L171 HydrophobicContact CZ2-CD2 4.06Å
109	G	98.3	Very high	95.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	-19	-179.8	0	0	0	0	0	114.2	G107 N144 R148 A149	G107-G109 PolarHBondContact O-N 3.33Å; G107-G109 VanDerWaalsContact O-N 3.15Å; G109-N144 PolarHBondContact O-OD1 3.42Å; G109-R148 WeakPolarHBondContact O-CA 3.36Å; G109-R148 WeakPolarHBondContact O-CB 3.34Å; G109-R148 WeakPolarHBondContact O-CD 3.44Å; G109-R148 PolarHBondContact O-NE 3.31Å; G109-A149 CarbonylContact C-O 3.47Å; G109-A149 WeakPolarHBondContact CA-O 3.18Å; G109-A149 PolarHBondContact N-O 2.92Å
110	D	98.1	Very high	95.2	Very high	29 Å²	29	37.7 Å²	37.7	16%	0.155	18%	0.183	C	C	.	.	S	Bend	trans	-109	163.3	-179	-157.3	-9	0	0	0	110.9	G107 W108 N144 A149	G107-D110 PolarHBondContact O-N 2.91Å; G107-D110 VanDerWaalsContact O-N 3.07Å; W108-D110 PolarHBondContact O-N 3.45Å; D110-N144 HydrophobicContact CB-CB 4.08Å; D110-A149 WeakPolarHBondContact O-CB 3.35Å
111	T	97.8	Very high	95.1	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	18%	0.183	C	C	.	.	S	Bend	trans	-94.8	-20.4	-171.4	55.8	0	0	0	0	114.3	A113 S114 E115 V132 R143 L147 A149	T111-A113 VanDerWaalsContact C-N 3.25Å; T111-A113 PolarHBondContact O-N 3.05Å; T111-A113 VanDerWaalsContact O-N 3.08Å; T111-S114 PolarHBondContact O-N 2.99Å; T111-E115 WeakPolarHBondContact CB-OE1 3.41Å; T111-E115 WeakPolarHBondContact O-CG 3.28Å; T111-E115 PolarHBondContact O-N 2.54Å; T111-E115 PolarHBondContact OG1-OE1 2.85Å; T111-V132 HydrophobicContact CG2-CG1 4.3Å; T111-V132 HydrophobicContact CG2-CG2 3.91Å; T111-R143 WeakPolarHBondContact OG1-CD 3.47Å; T111-R143 WeakPolarHBondContact OG1-CG 3.36Å; T111-R143 PolarHBondContact OG1-NE 3.42Å; T111-L147 HydrophobicContact CG2-CD1 4.23Å; T111-L147 HydrophobicContact CG2-CG 3.92Å; T111-A149 HydrophobicContact CG2-CB 4.42Å
112	W	96.5	Very high	94.8	Very high	108 Å²	108	38.4 Å²	38.4	41%	0.409	18%	0.183	S	C	.	.	H	α-helix	trans	-55.7	-36.4	-166.7	65.5	-98	0	0	0	114	P106 S114 E115	P106-W112 HydrophobicContact CB-CH2 3.7Å; P106-W112 HydrophobicContact CB-CZ2 3.92Å; P106-W112 HydrophobicContact CG-CH2 3.71Å; P106-W112 HydrophobicContact CG-CZ2 4.38Å; P106-W112 HydrophobicContact CG-CZ3 4.47Å; W112-S114 PolarHBondContact O-N 2.87Å; W112-E115 PolarHBondContact O-N 2.89Å
113	A	96.4	Very high	94.5	Very high	1 Å²	1	40 Å²	40	1%	0.008	19%	0.192	C	C	.	.	H	α-helix	trans	-72.3	-17.5	-177.5	0	0	0	0	0	113.3	T49 Q50 P106 T111	T49-A113 VanDerWaalsContact CA-O 3.31Å; T49-A113 WeakPolarHBondContact CA-O 3.01Å; T49-A113 PolarHBondContact OG1-O 2.93Å; Q50-A113 HydrophobicContact CB-CB 4.46Å; Q50-A113 PolarHBondContact N-O 3.23Å; P106-A113 VanDerWaalsContact O-CB 3.31Å; P106-A113 WeakPolarHBondContact O-CB 3.43Å; T111-A113 VanDerWaalsContact C-N 3.25Å; T111-A113 PolarHBondContact O-N 3.05Å; T111-A113 VanDerWaalsContact O-N 3.08Å
114	S	96.6	Very high	94	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-111.2	-8.3	174.9	-70.7	0	0	0	0	112.9	G48 T111 W112 Y127 M128	G48-S114 WeakPolarHBondContact O-CB 3.44Å; G48-S114 PolarHBondContact O-OG 3.5Å; T111-S114 PolarHBondContact O-N 2.99Å; W112-S114 PolarHBondContact O-N 2.87Å; S114-Y127 WeakPolarHBondContact O-CD1 3.33Å; S114-M128 WeakPolarHBondContact O-CB 3.29Å; S114-M128 PolarHBondContact O-N 2.89Å
115	E	96.9	Very high	93.7	Very high	17 Å²	17	41.7 Å²	41.7	8%	0.079	20%	0.197	C	C	.	.	H	α-helix	trans	-68.3	-48.7	169	-73.2	179.8	-109.3	0	0	110.7	T111 W112 Y127 K129 V132 R143	T111-E115 WeakPolarHBondContact CB-OE1 3.41Å; T111-E115 WeakPolarHBondContact O-CG 3.28Å; T111-E115 PolarHBondContact O-N 2.54Å; T111-E115 PolarHBondContact OG1-OE1 2.85Å; W112-E115 PolarHBondContact O-N 2.89Å; E115-Y127 PolarHBondContact O-N 3.34Å; E115-K129 HydrophobicContact CB-CB 4.34Å; E115-K129 PolarHBondContact O-N 3.45Å; E115-V132 HydrophobicContact CG-CB 3.97Å; E115-V132 HydrophobicContact CG-CG1 4.29Å; E115-V132 HydrophobicContact CG-CG2 3.71Å; E115-R143 IonicContact OE1-CZ 2.86Å; E115-R143 IonicContact OE1-NE 2.96Å; E115-R143 PolarHBondContact OE1-NE 3.49Å; E115-R143 IonicContact OE1-NH2 2.83Å; E115-R143 IonicContact OE2-CZ 3.12Å; E115-R143 IonicContact OE2-NE 3.35Å; E115-R143 IonicContact OE2-NH2 3.39Å; E115-R143 PolarHBondContact OE2-NH2 3.05Å
116	Y	95	Very high	93.5	Very high	16 Å²	16	40.8 Å²	40.8	6%	0.063	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-128.8	130.8	175	-68	-85.5	0	0	0	110.9	S18 Q50 K121 T125 K129	S18-Y116 PolarHBondContact OG-OH 3.21Å; Q50-Y116 WeakPolarHBondContact CG-O 3.49Å; Q50-Y116 PolarHBondContact NE2-O 3.2Å; Y116-K121 HydrophobicContact CD1-CB 3.84Å; Y116-K121 HydrophobicContact CD1-CG 4.43Å; Y116-K121 HydrophobicContact CD2-CB 4.03Å; Y116-K121 HydrophobicContact CD2-CD 3.94Å; Y116-K121 HydrophobicContact CD2-CG 3.85Å; Y116-K121 HydrophobicContact CE1-CB 4.1Å; Y116-K121 HydrophobicContact CE2-CB 4.26Å; Y116-K121 HydrophobicContact CE2-CD 4.14Å; Y116-K121 HydrophobicContact CE2-CG 4.36Å; Y116-K121 HydrophobicContact CG-CB 3.78Å; Y116-K121 HydrophobicContact CG-CD 4.45Å; Y116-K121 HydrophobicContact CG-CG 3.85Å; Y116-T125 WeakPolarHBondContact CA-O 3.49Å; Y116-K129 HydrophobicContact CE1-CD 4.1Å; Y116-K129 HydrophobicContact CE2-CD 4.1Å; Y116-K129 HydrophobicContact CE2-CG 4.14Å; Y116-K129 VanDerWaalsContact OH-CD 3.28Å; Y116-K129 WeakPolarHBondContact OH-CD 3.45Å; Y116-K129 WeakPolarHBondContact OH-CE 3.03Å; Y116-K129 PolarHBondContact OH-NZ 2.87Å
117	L	92.9	Very high	93.4	Very high	21 Å²	21	40 Å²	40	11%	0.11	19%	0.188	C	C	.	.	S	Bend	trans	-80.9	-17.6	-179.4	-52.6	-179.9	0	0	0	112.9	W68 I69 T125 Y127	W68-L117 CarbonylContact C-O 3.54Å; I69-L117 HydrophobicContact CD1-CB 3.79Å; I69-L117 HydrophobicContact CD1-CD1 3.9Å; I69-L117 HydrophobicContact CG1-CB 3.92Å; I69-L117 PolarHBondContact N-O 2.9Å; L117-T125 PolarHBondContact N-O 3.1Å; L117-Y127 HydrophobicContact CD2-CD1 4.12Å; L117-Y127 HydrophobicContact CD2-CG 4.34Å
118	S	92.1	Very high	93.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-104.7	149.8	168.7	74.5	0	0	0	0	112.4	Q50 I69 D120 K121 Y122 T125	Q50-S118 PolarHBondContact NE2-O 3.42Å; I69-S118 WeakPolarHBondContact O-CB 3.39Å; S118-D120 VanDerWaalsContact C-N 3.27Å; S118-D120 PolarHBondContact O-N 2.81Å; S118-K121 PolarHBondContact O-N 2.81Å; S118-K121 VanDerWaalsContact O-N 3.09Å; S118-K121 PolarHBondContact OG-N 2.8Å; S118-Y122 VanDerWaalsContact OG-CD2 3.27Å; S118-Y122 WeakPolarHBondContact OG-CD2 3.04Å; S118-Y122 PolarHBondContact OG-N 2.85Å; S118-T125 PolarHBondContact N-OG1 2.78Å; S118-T125 PolarHBondContact OG-OG1 3.08Å; S118-T125 VanDerWaalsContact OG-OG1 3.06Å
119	E	89.7	Confident	93.4	Very high	132 Å²	132	37.2 Å²	37.2	62%	0.617	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-36.4	173.2	-169.7	174.8	175.8	0	0	111.4	K121	E119-K121 PolarHBondContact O-N 3.39Å
120	D	89.1	Confident	93.3	Very high	78 Å²	78	39.7 Å²	39.7	42%	0.417	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-7.4	174.9	-57.7	-70.9	0	0	0	113.6	T17 S118 Y122	T17-D120 WeakPolarHBondContact CG2-O 3.24Å; S118-D120 VanDerWaalsContact C-N 3.27Å; S118-D120 PolarHBondContact O-N 2.81Å; D120-Y122 VanDerWaalsContact C-N 3.33Å; D120-Y122 HydrophobicContact CB-CD1 4.26Å; D120-Y122 HydrophobicContact CB-CD2 4.1Å; D120-Y122 HydrophobicContact CB-CE1 3.84Å; D120-Y122 HydrophobicContact CB-CE2 3.65Å; D120-Y122 HydrophobicContact CB-CG 4.38Å; D120-Y122 PolarHBondContact O-N 3.39Å
121	K	90	Very high	93.3	Very high	70 Å²	70	38.3 Å²	38.3	30%	0.304	18%	0.179	S	C	.	.			trans	52.8	46.2	-179.9	-57.2	-178.7	-177.7	179.4	0	113.3	Y116 S118 E119	Y116-K121 HydrophobicContact CD1-CB 3.84Å; Y116-K121 HydrophobicContact CD1-CG 4.43Å; Y116-K121 HydrophobicContact CD2-CB 4.03Å; Y116-K121 HydrophobicContact CD2-CD 3.94Å; Y116-K121 HydrophobicContact CD2-CG 3.85Å; Y116-K121 HydrophobicContact CE1-CB 4.1Å; Y116-K121 HydrophobicContact CE2-CB 4.26Å; Y116-K121 HydrophobicContact CE2-CD 4.14Å; Y116-K121 HydrophobicContact CE2-CG 4.36Å; Y116-K121 HydrophobicContact CG-CB 3.78Å; Y116-K121 HydrophobicContact CG-CD 4.45Å; Y116-K121 HydrophobicContact CG-CG 3.85Å; S118-K121 PolarHBondContact O-N 2.81Å; S118-K121 VanDerWaalsContact O-N 3.09Å; S118-K121 PolarHBondContact OG-N 2.8Å; E119-K121 PolarHBondContact O-N 3.39Å
122	Y	86.9	Confident	93.3	Very high	9 Å²	9	38.3 Å²	38.3	4%	0.035	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-62.9	140.9	175.2	-60	-58.7	0	0	0	110.1	N13 L16 T17 L71 S118 D120 F124 T125 S126	N13-Y122 VanDerWaalsContact OD1-CE1 3.22Å; N13-Y122 WeakPolarHBondContact OD1-CE1 3.25Å; N13-Y122 VanDerWaalsContact OD1-CZ 3.32Å; N13-Y122 PolarHBondContact OD1-OH 3.11Å; L16-Y122 HydrophobicContact CB-CD1 4.18Å; T17-Y122 HydrophobicContact CG2-CD1 4.42Å; T17-Y122 HydrophobicContact CG2-CE1 4.31Å; L71-Y122 HydrophobicContact CD1-CD2 4.38Å; L71-Y122 HydrophobicContact CD1-CE2 3.72Å; L71-Y122 HydrophobicContact CG-CE2 4.19Å; S118-Y122 VanDerWaalsContact OG-CD2 3.27Å; S118-Y122 WeakPolarHBondContact OG-CD2 3.04Å; S118-Y122 PolarHBondContact OG-N 2.85Å; D120-Y122 VanDerWaalsContact C-N 3.33Å; D120-Y122 HydrophobicContact CB-CD1 4.26Å; D120-Y122 HydrophobicContact CB-CD2 4.1Å; D120-Y122 HydrophobicContact CB-CE1 3.84Å; D120-Y122 HydrophobicContact CB-CE2 3.65Å; D120-Y122 HydrophobicContact CB-CG 4.38Å; D120-Y122 PolarHBondContact O-N 3.39Å; Y122-F124 VanDerWaalsContact C-N 3.26Å; Y122-F124 HydrophobicContact CD1-CE1 4.24Å; Y122-F124 AromaticContact CD2-CE1 3.81Å; Y122-F124 HydrophobicContact CD2-CE1 3.81Å; Y122-F124 AromaticContact CD2-CZ 3.55Å; Y122-F124 HydrophobicContact CD2-CZ 3.55Å; Y122-F124 HydrophobicContact CE2-CZ 4.37Å; Y122-F124 HydrophobicContact CG-CD1 4.38Å; Y122-F124 AromaticContact CG-CE1 3.53Å; Y122-F124 HydrophobicContact CG-CE1 3.53Å; Y122-F124 AromaticContact CG-CZ 3.79Å; Y122-F124 HydrophobicContact CG-CZ 3.79Å; Y122-F124 PolarHBondContact O-N 3.2Å; Y122-T125 HydrophobicContact CD2-CG2 4.47Å; Y122-T125 PolarHBondContact N-OG1 2.82Å; Y122-T125 WeakPolarHBondContact O-CA 3.49Å; Y122-T125 PolarHBondContact O-N 2.99Å; Y122-T125 PolarHBondContact O-OG1 3.07Å; Y122-S126 PolarHBondContact O-N 3.19Å
123	L	86.7	Confident	93.3	Very high	111 Å²	111	37 Å²	37	58%	0.581	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-55.5	-40	-178.7	-174.7	63.3	0	0	0	113.1	T125 S126	L123-T125 PolarHBondContact O-N 2.03Å; L123-T125 VanDerWaalsContact O-N 3.13Å; L123-S126 WeakPolarHBondContact O-CB 3.35Å; L123-S126 PolarHBondContact O-N 3.37Å
124	F	86	Confident	93.3	Very high	121 Å²	121	38.7 Å²	38.7	53%	0.531	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-68.9	-7.1	177.5	70.1	-94.6	0	0	0	114	L71 Y122	L71-F124 HydrophobicContact CD1-CZ 4.2Å; L71-F124 HydrophobicContact CD2-CE2 4.17Å; L71-F124 HydrophobicContact CD2-CZ 3.87Å; L71-F124 HydrophobicContact CG-CZ 4.38Å; Y122-F124 VanDerWaalsContact C-N 3.26Å; Y122-F124 HydrophobicContact CD1-CE1 4.24Å; Y122-F124 AromaticContact CD2-CE1 3.81Å; Y122-F124 HydrophobicContact CD2-CE1 3.81Å; Y122-F124 AromaticContact CD2-CZ 3.55Å; Y122-F124 HydrophobicContact CD2-CZ 3.55Å; Y122-F124 HydrophobicContact CE2-CZ 4.37Å; Y122-F124 HydrophobicContact CG-CD1 4.38Å; Y122-F124 AromaticContact CG-CE1 3.53Å; Y122-F124 HydrophobicContact CG-CE1 3.53Å; Y122-F124 AromaticContact CG-CZ 3.79Å; Y122-F124 HydrophobicContact CG-CZ 3.79Å; Y122-F124 PolarHBondContact O-N 3.2Å
125	T	89.8	Confident	93.3	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-105.4	5.5	172.7	69.5	0	0	0	0	112.6	I69 Y116 L117 S118 Y122 L123 Y127	I69-T125 HydrophobicContact CB-CG2 4.42Å; I69-T125 HydrophobicContact CD1-CG2 4.25Å; I69-T125 HydrophobicContact CG2-CG2 4.36Å; Y116-T125 WeakPolarHBondContact CA-O 3.49Å; L117-T125 PolarHBondContact N-O 3.1Å; S118-T125 PolarHBondContact N-OG1 2.78Å; S118-T125 PolarHBondContact OG-OG1 3.08Å; S118-T125 VanDerWaalsContact OG-OG1 3.06Å; Y122-T125 HydrophobicContact CD2-CG2 4.47Å; Y122-T125 PolarHBondContact N-OG1 2.82Å; Y122-T125 WeakPolarHBondContact O-CA 3.49Å; Y122-T125 PolarHBondContact O-N 2.99Å; Y122-T125 PolarHBondContact O-OG1 3.07Å; L123-T125 PolarHBondContact O-N 2.03Å; L123-T125 VanDerWaalsContact O-N 3.13Å; T125-Y127 PolarHBondContact O-N 3.11Å
126	S	93.3	Very high	93.3	Very high	14 Å²	14	39.9 Å²	39.9	10%	0.098	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-60.1	129.7	167.9	-179.7	0	0	0	0	109.1	Y122 L123 K129 Q392	Y122-S126 PolarHBondContact O-N 3.19Å; L123-S126 WeakPolarHBondContact O-CB 3.35Å; L123-S126 PolarHBondContact O-N 3.37Å; S126-K129 WeakPolarHBondContact OG-CB 3.47Å; S126-Q392 PolarHBondContact OG-OE1 3.31Å
127	Y	95.6	Very high	93.3	Very high	18 Å²	18	45.8 Å²	45.8	7%	0.071	23%	0.23	C	C	.	.	S	Bend	trans	-127.9	-83.8	-179.3	178.8	-125.6	0	0	0	111	H44 G45 S114 E115 L117 T125 K129 H189 V391 Q392	H44-Y127 HydrophobicContact CB-CE1 3.78Å; G45-Y127 PolarHBondContact N-OH 3.32Å; S114-Y127 WeakPolarHBondContact O-CD1 3.33Å; E115-Y127 PolarHBondContact O-N 3.34Å; L117-Y127 HydrophobicContact CD2-CD1 4.12Å; L117-Y127 HydrophobicContact CD2-CG 4.34Å; T125-Y127 PolarHBondContact O-N 3.11Å; Y127-K129 VanDerWaalsContact C-N 3.32Å; Y127-H189 AromaticContact CE2-CE1 3.78Å; Y127-H189 AromaticContact CE2-ND1 3.41Å; Y127-H189 WeakPolarHBondContact CE2-ND1 3.28Å; Y127-H189 AromaticContact CZ-ND1 3.35Å; Y127-H189 VanDerWaalsContact CZ-ND1 3.35Å; Y127-H189 PolarHBondContact OH-ND1 3.06Å; Y127-V391 HydrophobicContact CD2-CG2 4.16Å; Y127-V391 HydrophobicContact CE2-CG2 4.17Å; Y127-V391 WeakPolarHBondContact O-CG2 3.24Å; Y127-Q392 WeakPolarHBondContact O-CG 3.36Å
128	M	96.8	Very high	93.3	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	23%	0.233	C	C	.	.	S	Bend	trans	-91.4	10.1	177.6	-66.9	-173.5	169.1	0	0	113.7	L42 H44 S114 L130 I131 V132 H189	L42-M128 HydrophobicContact CB-SD 3.84Å; L42-M128 HydrophobicContact CD1-CB 4.45Å; L42-M128 HydrophobicContact CD1-SD 4Å; L42-M128 HydrophobicContact CG-SD 4.46Å; H44-M128 HydrophobicContact CB-CE 4.41Å; S114-M128 WeakPolarHBondContact O-CB 3.29Å; S114-M128 PolarHBondContact O-N 2.89Å; M128-L130 VanDerWaalsContact C-N 3.33Å; M128-L130 PolarHBondContact O-N 3.23Å; M128-I131 HydrophobicContact CG-CD1 4.38Å; M128-I131 PolarHBondContact O-N 2.97Å; M128-V132 WeakPolarHBondContact O-CG2 3.33Å; M128-V132 PolarHBondContact O-N 3.45Å; M128-V132 VanDerWaalsContact O-N 3.16Å; M128-H189 HydrophobicContact CE-CB 3.69Å
129	K	96.4	Very high	93.5	Very high	31 Å²	31	53.8 Å²	53.8	14%	0.135	27%	0.266	C	S	.	.	H	α-helix	trans	-50.5	-49.5	-179	179.2	-158.7	173.3	176.2	0	112.5	E115 Y116 S126 Y127 V132 Q133	E115-K129 HydrophobicContact CB-CB 4.34Å; E115-K129 PolarHBondContact O-N 3.45Å; Y116-K129 HydrophobicContact CE1-CD 4.1Å; Y116-K129 HydrophobicContact CE2-CD 4.1Å; Y116-K129 HydrophobicContact CE2-CG 4.14Å; Y116-K129 VanDerWaalsContact OH-CD 3.28Å; Y116-K129 WeakPolarHBondContact OH-CD 3.45Å; Y116-K129 WeakPolarHBondContact OH-CE 3.03Å; Y116-K129 PolarHBondContact OH-NZ 2.87Å; S126-K129 WeakPolarHBondContact OG-CB 3.47Å; Y127-K129 VanDerWaalsContact C-N 3.32Å; K129-V132 PolarHBondContact O-N 2.9Å; K129-Q133 VanDerWaalsContact CE-NE2 3.28Å; K129-Q133 VanDerWaalsContact CE-OE1 3.27Å; K129-Q133 HydrophobicContact CG-CG 4.28Å; K129-Q133 WeakPolarHBondContact O-CB 3.46Å; K129-Q133 WeakPolarHBondContact O-CG 3.28Å; K129-Q133 PolarHBondContact O-N 3.27Å
130	L	96.6	Very high	93.7	Very high	51 Å²	51	49 Å²	49	27%	0.267	24%	0.243	S	C	.	.	H	α-helix	trans	-70	-35.9	-174.8	-64	-169	0	0	0	112.6	M128 V132 Q133 S134 Q392 L397	M128-L130 VanDerWaalsContact C-N 3.33Å; M128-L130 PolarHBondContact O-N 3.23Å; L130-V132 VanDerWaalsContact C-N 3.31Å; L130-V132 PolarHBondContact O-N 2.93Å; L130-Q133 PolarHBondContact O-N 2.71Å; L130-S134 VanDerWaalsContact O-CB 3.28Å; L130-S134 WeakPolarHBondContact O-CB 3.15Å; L130-S134 PolarHBondContact O-N 2.79Å; L130-S134 PolarHBondContact O-OG 2.98Å; L130-S134 VanDerWaalsContact O-OG 3.04Å; L130-Q392 HydrophobicContact CB-CB 4.44Å; L130-Q392 HydrophobicContact CB-CG 4.25Å; L130-Q392 HydrophobicContact CD1-CB 3.79Å; L130-Q392 HydrophobicContact CD1-CG 4.15Å; L130-Q392 HydrophobicContact CG-CB 4.32Å; L130-Q392 HydrophobicContact CG-CG 4.15Å; L130-L397 HydrophobicContact CB-CD1 3.98Å
131	I	97.9	Very high	94.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-52.8	-54.4	169.1	-60.8	-176	0	0	0	109.5	L42 M128 Q133 S134 L135 L187 V391 F396 L397 L400	L42-I131 HydrophobicContact CD1-CG2 4.12Å; L42-I131 HydrophobicContact CD2-CG2 4.12Å; M128-I131 HydrophobicContact CG-CD1 4.38Å; M128-I131 PolarHBondContact O-N 2.97Å; I131-Q133 PolarHBondContact O-N 3.34Å; I131-S134 PolarHBondContact O-N 3.2Å; I131-L135 HydrophobicContact CG2-CD1 3.73Å; I131-L135 HydrophobicContact CG2-CG 4.38Å; I131-L135 WeakPolarHBondContact O-CB 3.27Å; I131-L135 VanDerWaalsContact O-CG 3.22Å; I131-L135 WeakPolarHBondContact O-CG 3.42Å; I131-L135 PolarHBondContact O-N 2.99Å; I131-L187 HydrophobicContact CD1-CD1 4.46Å; I131-V391 HydrophobicContact CD1-CB 3.84Å; I131-V391 HydrophobicContact CD1-CG1 4.11Å; I131-V391 HydrophobicContact CG1-CB 4.39Å; I131-V391 WeakPolarHBondContact CG1-O 3.32Å; I131-F396 HydrophobicContact CD1-CE1 3.9Å; I131-F396 HydrophobicContact CG1-CE1 4.22Å; I131-L397 HydrophobicContact CB-CD2 4.31Å; I131-L397 HydrophobicContact CG1-CD2 3.85Å; I131-L400 HydrophobicContact CG2-CD2 3.86Å
132	V	97.9	Very high	94.5	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-65.7	-44.4	-173.4	-177.6	0	0	0	0	110.8	L42 T111 E115 M128 K129 L130 L135 T136 R143 L147	L42-V132 HydrophobicContact CD1-CG2 3.95Å; T111-V132 HydrophobicContact CG2-CG1 4.3Å; T111-V132 HydrophobicContact CG2-CG2 3.91Å; E115-V132 HydrophobicContact CG-CB 3.97Å; E115-V132 HydrophobicContact CG-CG1 4.29Å; E115-V132 HydrophobicContact CG-CG2 3.71Å; M128-V132 WeakPolarHBondContact O-CG2 3.33Å; M128-V132 PolarHBondContact O-N 3.45Å; M128-V132 VanDerWaalsContact O-N 3.16Å; K129-V132 PolarHBondContact O-N 2.9Å; L130-V132 VanDerWaalsContact C-N 3.31Å; L130-V132 PolarHBondContact O-N 2.93Å; V132-L135 PolarHBondContact O-N 3.21Å; V132-T136 HydrophobicContact CG1-CG2 4.2Å; V132-T136 WeakPolarHBondContact O-CB 3.08Å; V132-T136 WeakPolarHBondContact O-CG2 3.36Å; V132-T136 PolarHBondContact O-N 3.47Å; V132-T136 PolarHBondContact O-OG1 3.03Å; V132-R143 HydrophobicContact CG1-CG 3.98Å; V132-R143 VanDerWaalsContact CG1-NE 3.3Å; V132-L147 HydrophobicContact CB-CD2 4.28Å; V132-L147 HydrophobicContact CG1-CD2 3.73Å; V132-L147 HydrophobicContact CG2-CD2 4.42Å
133	Q	96.5	Very high	95.1	Very high	80 Å²	80	48 Å²	48	37%	0.374	24%	0.238	S	C	.	.	H	α-helix	trans	-60.5	-48.9	177.2	-74.5	-174.5	-30.6	0	0	112	K129 L130 I131 L135 T136 N137	K129-Q133 VanDerWaalsContact CE-NE2 3.28Å; K129-Q133 VanDerWaalsContact CE-OE1 3.27Å; K129-Q133 HydrophobicContact CG-CG 4.28Å; K129-Q133 WeakPolarHBondContact O-CB 3.46Å; K129-Q133 WeakPolarHBondContact O-CG 3.28Å; K129-Q133 PolarHBondContact O-N 3.27Å; L130-Q133 PolarHBondContact O-N 2.71Å; I131-Q133 PolarHBondContact O-N 3.34Å; Q133-L135 VanDerWaalsContact C-N 3.33Å; Q133-L135 PolarHBondContact O-N 3.26Å; Q133-T136 PolarHBondContact O-N 3.17Å; Q133-T136 PolarHBondContact O-OG1 3.1Å; Q133-N137 PolarHBondContact O-N 3.35Å
134	S	96.5	Very high	95.6	Very high	37 Å²	37	46.4 Å²	46.4	26%	0.259	23%	0.23	S	C	.	.	H	α-helix	trans	-59.5	-42.3	179.1	-67.6	0	0	0	0	112.4	L130 I131	L130-S134 VanDerWaalsContact O-CB 3.28Å; L130-S134 WeakPolarHBondContact O-CB 3.15Å; L130-S134 PolarHBondContact O-N 2.79Å; L130-S134 PolarHBondContact O-OG 2.98Å; L130-S134 VanDerWaalsContact O-OG 3.04Å; I131-S134 PolarHBondContact O-N 3.2Å
135	L	97.2	Very high	96.2	Very high	2 Å²	2	44 Å²	44	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-68	-44.6	178.8	-67.4	175.3	0	0	0	112	I40 I131 V132 Q133 N137 D138 F141 L147 M401 L404	I40-L135 HydrophobicContact CG2-CD1 3.92Å; I131-L135 HydrophobicContact CG2-CD1 3.73Å; I131-L135 HydrophobicContact CG2-CG 4.38Å; I131-L135 WeakPolarHBondContact O-CB 3.27Å; I131-L135 VanDerWaalsContact O-CG 3.22Å; I131-L135 WeakPolarHBondContact O-CG 3.42Å; I131-L135 PolarHBondContact O-N 2.99Å; V132-L135 PolarHBondContact O-N 3.21Å; Q133-L135 VanDerWaalsContact C-N 3.33Å; Q133-L135 PolarHBondContact O-N 3.26Å; L135-N137 PolarHBondContact O-N 3.2Å; L135-D138 PolarHBondContact O-N 3.32Å; L135-F141 HydrophobicContact CB-CB 3.98Å; L135-F141 HydrophobicContact CB-CD1 4.43Å; L135-F141 HydrophobicContact CB-CD2 4.26Å; L135-F141 HydrophobicContact CB-CG 3.97Å; L135-F141 HydrophobicContact CD2-CD1 4.43Å; L135-F141 HydrophobicContact CD2-CD2 4.44Å; L135-F141 HydrophobicContact CD2-CE1 4.35Å; L135-F141 HydrophobicContact CD2-CE2 4.38Å; L135-F141 HydrophobicContact CD2-CG 4.48Å; L135-F141 HydrophobicContact CD2-CZ 4.34Å; L135-F141 WeakPolarHBondContact O-CB 3.38Å; L135-F141 VanDerWaalsContact O-CD2 3.29Å; L135-F141 WeakPolarHBondContact O-CD2 3.14Å; L135-L147 HydrophobicContact CB-CD2 3.95Å; L135-L147 HydrophobicContact CD1-CD1 3.74Å; L135-L147 HydrophobicContact CD1-CD2 3.98Å; L135-L147 HydrophobicContact CD1-CG 4.47Å; L135-M401 HydrophobicContact CD2-SD 3.59Å; L135-M401 VanDerWaalsContact CD2-SD 3.59Å; L135-L404 HydrophobicContact CD1-CD1 4.32Å; L135-L404 HydrophobicContact CD2-CD1 3.38Å
136	T	96.7	Very high	96.6	Very high	44 Å²	44	44.3 Å²	44.3	27%	0.27	22%	0.221	S	C	.	.	H	α-helix	trans	-70.1	-3.4	-175.1	57.2	0	0	0	0	114.3	V132 Q133 D138 F141 R143 L147	V132-T136 HydrophobicContact CG1-CG2 4.2Å; V132-T136 WeakPolarHBondContact O-CB 3.08Å; V132-T136 WeakPolarHBondContact O-CG2 3.36Å; V132-T136 PolarHBondContact O-N 3.47Å; V132-T136 PolarHBondContact O-OG1 3.03Å; Q133-T136 PolarHBondContact O-N 3.17Å; Q133-T136 PolarHBondContact O-OG1 3.1Å; T136-D138 VanDerWaalsContact C-N 3.25Å; T136-F141 WeakPolarHBondContact CG2-O 3.38Å; T136-R143 HydrophobicContact CG2-CG 4.23Å; T136-L147 HydrophobicContact CG2-CD2 3.89Å
137	N	94.6	Very high	96.8	Very high	139 Å²	139	43.6 Å²	43.6	74%	0.743	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-25.6	167.1	-67.5	-30.6	0	0	0	112.3	Q133 L135	Q133-N137 PolarHBondContact O-N 3.35Å; L135-N137 PolarHBondContact O-N 3.2Å
138	D	94.1	Very high	97	Very high	30 Å²	30	43.2 Å²	43.2	16%	0.16	21%	0.214	C	C	.	.	S	Bend	trans	-93.7	130.2	169.7	179.2	-50.2	0	0	0	109.6	R37 L135 T136 F140 F141	R37-D138 IonicContact CZ-OD2 2.75Å; R37-D138 IonicContact NE-OD1 3.61Å; R37-D138 PolarHBondContact NE-OD1 2.75Å; R37-D138 IonicContact NE-OD2 2.56Å; R37-D138 PolarHBondContact NE-OD2 3.46Å; R37-D138 IonicContact NH2-OD2 2.58Å; R37-D138 PolarHBondContact NH2-OD2 2.84Å; L135-D138 PolarHBondContact O-N 3.32Å; T136-D138 VanDerWaalsContact C-N 3.25Å; D138-F140 PolarHBondContact O-N 3.35Å; D138-F140 VanDerWaalsContact O-N 3.08Å; D138-F140 VanDerWaalsContact OD1-CB 3.28Å; D138-F140 WeakPolarHBondContact OD1-CB 3.45Å; D138-F140 PolarHBondContact OD1-N 2.9Å; D138-F141 HydrophobicContact CB-CD2 3.89Å; D138-F141 HydrophobicContact CB-CE2 4.17Å; D138-F141 PolarHBondContact O-N 3.32Å
139	K	94.4	Very high	97.1	Very high	160 Å²	160	43.2 Å²	43.2	70%	0.696	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-19.6	-173	-65.1	-175.9	179	-178.1	0	113.9
140	F	95.8	Very high	97.2	Very high	32 Å²	32	41.7 Å²	41.7	14%	0.14	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-35	176.1	176.1	-94.3	0	0	0	112.2	R37 P39 D138 V142 T146	R37-F140 HydrophobicContact CB-CB 4.18Å; R37-F140 HydrophobicContact CB-CD1 3.45Å; R37-F140 VanDerWaalsContact CB-CD1 3.45Å; R37-F140 HydrophobicContact CB-CD2 4.03Å; R37-F140 HydrophobicContact CB-CE1 3.72Å; R37-F140 HydrophobicContact CB-CE2 4.26Å; R37-F140 HydrophobicContact CB-CG 3.61Å; R37-F140 HydrophobicContact CB-CZ 4.11Å; R37-F140 HydrophobicContact CG-CB 4.3Å; R37-F140 HydrophobicContact CG-CD1 4.31Å; R37-F140 HydrophobicContact CG-CG 4.27Å; R37-F140 WeakPolarHBondContact O-CZ 3.26Å; P39-F140 HydrophobicContact CG-CE1 4.3Å; P39-F140 HydrophobicContact CG-CZ 3.94Å; D138-F140 PolarHBondContact O-N 3.35Å; D138-F140 VanDerWaalsContact O-N 3.08Å; D138-F140 VanDerWaalsContact OD1-CB 3.28Å; D138-F140 WeakPolarHBondContact OD1-CB 3.45Å; D138-F140 PolarHBondContact OD1-N 2.9Å; F140-V142 PolarHBondContact O-N 3.46Å; F140-T146 HydrophobicContact CE1-CG2 4.27Å; F140-T146 HydrophobicContact CE2-CG2 4.32Å; F140-T146 HydrophobicContact CZ-CG2 4.07Å; F140-T146 WeakPolarHBondContact O-CB 3.33Å; F140-T146 PolarHBondContact O-OG1 3.1Å
141	F	97.5	Very high	97.3	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.018	20%	0.197	C	C	.	.			trans	-85.7	95.4	-176.8	-58.8	-79.1	0	0	0	110.8	Y38 I40 L135 T136 D138 T146 L147 L404 V405	Y38-F141 WeakPolarHBondContact O-CE1 3.33Å; I40-F141 HydrophobicContact CG2-CD1 4.37Å; I40-F141 HydrophobicContact CG2-CE1 4.44Å; L135-F141 HydrophobicContact CB-CB 3.98Å; L135-F141 HydrophobicContact CB-CD1 4.43Å; L135-F141 HydrophobicContact CB-CD2 4.26Å; L135-F141 HydrophobicContact CB-CG 3.97Å; L135-F141 HydrophobicContact CD2-CD1 4.43Å; L135-F141 HydrophobicContact CD2-CD2 4.44Å; L135-F141 HydrophobicContact CD2-CE1 4.35Å; L135-F141 HydrophobicContact CD2-CE2 4.38Å; L135-F141 HydrophobicContact CD2-CG 4.48Å; L135-F141 HydrophobicContact CD2-CZ 4.34Å; L135-F141 WeakPolarHBondContact O-CB 3.38Å; L135-F141 VanDerWaalsContact O-CD2 3.29Å; L135-F141 WeakPolarHBondContact O-CD2 3.14Å; T136-F141 WeakPolarHBondContact CG2-O 3.38Å; D138-F141 HydrophobicContact CB-CD2 3.89Å; D138-F141 HydrophobicContact CB-CE2 4.17Å; D138-F141 PolarHBondContact O-N 3.32Å; F141-T146 WeakPolarHBondContact CA-OG1 3.48Å; F141-L147 HydrophobicContact CB-CB 4.31Å; F141-L404 HydrophobicContact CE1-CB 4.23Å; F141-L404 HydrophobicContact CE1-CD1 4.09Å; F141-L404 HydrophobicContact CZ-CB 3.77Å; F141-L404 HydrophobicContact CZ-CD1 4.23Å; F141-V405 HydrophobicContact CE2-CG2 4.06Å; F141-V405 HydrophobicContact CZ-CG2 4.25Å
142	V	98	Very high	97.3	Very high	56 Å²	56	39.8 Å²	39.8	34%	0.339	20%	0.198	S	C	.	.			trans	-107.1	124.2	177.9	-177.9	0	0	0	0	108.1	L28 F140 K145 T146 L147	L28-V142 HydrophobicContact CD2-CG2 4.15Å; F140-V142 PolarHBondContact O-N 3.46Å; V142-K145 HydrophobicContact CB-CB 4.12Å; V142-K145 HydrophobicContact CG1-CB 4.19Å; V142-K145 PolarHBondContact O-N 2.76Å; V142-K145 VanDerWaalsContact O-N 3.07Å; V142-T146 PolarHBondContact N-OG1 3.07Å; V142-T146 PolarHBondContact O-N 2.83Å; V142-L147 PolarHBondContact O-N 3.01Å
143	R	98.2	Very high	97.3	Very high	76 Å²	76	40.6 Å²	40.6	29%	0.287	20%	0.202	S	C	.	.	B	Isolated β-bridge	trans	-50.4	143.1	172.4	-70.6	-176.5	176.2	72.9	1	109.9	T111 E115 V132 T136 K145 L147	T111-R143 WeakPolarHBondContact OG1-CD 3.47Å; T111-R143 WeakPolarHBondContact OG1-CG 3.36Å; T111-R143 PolarHBondContact OG1-NE 3.42Å; E115-R143 IonicContact OE1-CZ 2.86Å; E115-R143 IonicContact OE1-NE 2.96Å; E115-R143 PolarHBondContact OE1-NE 3.49Å; E115-R143 IonicContact OE1-NH2 2.83Å; E115-R143 IonicContact OE2-CZ 3.12Å; E115-R143 IonicContact OE2-NE 3.35Å; E115-R143 IonicContact OE2-NH2 3.39Å; E115-R143 PolarHBondContact OE2-NH2 3.05Å; V132-R143 HydrophobicContact CG1-CG 3.98Å; V132-R143 VanDerWaalsContact CG1-NE 3.3Å; T136-R143 HydrophobicContact CG2-CG 4.23Å; R143-K145 PolarHBondContact O-N 3.5Å; R143-K145 VanDerWaalsContact O-N 3.1Å; R143-L147 CarbonylContact C-O 3.24Å; R143-L147 WeakPolarHBondContact CA-O 3.42Å
144	N	98.1	Very high	97.4	Very high	77 Å²	77	36.9 Å²	36.9	41%	0.412	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	21.7	-177.3	-163.9	26.3	0	0	0	114.4	G109 D110 L147 R148	G109-N144 PolarHBondContact O-OD1 3.42Å; D110-N144 HydrophobicContact CB-CB 4.08Å; N144-L147 PolarHBondContact N-O 3.4Å; N144-R148 PolarHBondContact O-NH1 3.48Å; N144-R148 PolarHBondContact OD1-NE 3.04Å
145	K	98.2	Very high	97.5	Very high	71 Å²	71	35.2 Å²	35.2	31%	0.309	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-140	-68.4	175.5	-169.6	168.6	-175.3	165.9	0	113.6	L28 V142 R143 N178	L28-K145 HydrophobicContact CD1-CD 4.15Å; V142-K145 HydrophobicContact CB-CB 4.12Å; V142-K145 HydrophobicContact CG1-CB 4.19Å; V142-K145 PolarHBondContact O-N 2.76Å; V142-K145 VanDerWaalsContact O-N 3.07Å; R143-K145 PolarHBondContact O-N 3.5Å; R143-K145 VanDerWaalsContact O-N 3.1Å; K145-N178 HydrophobicContact CG-CB 3.82Å; K145-N178 WeakPolarHBondContact O-CB 3.36Å
146	T	98.3	Very high	97.5	Very high	6 Å²	6	36.7 Å²	36.7	4%	0.037	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-19	178.7	49.4	0	0	0	0	112	P39 I40 F140 F141 V142	P39-T146 CarbonylContact C-O 3.56Å; P39-T146 VanDerWaalsContact CA-O 3.28Å; P39-T146 WeakPolarHBondContact CA-O 3.22Å; P39-T146 VanDerWaalsContact CB-O 3.29Å; P39-T146 WeakPolarHBondContact CB-O 3.38Å; I40-T146 PolarHBondContact N-O 3.46Å; F140-T146 HydrophobicContact CE1-CG2 4.27Å; F140-T146 HydrophobicContact CE2-CG2 4.32Å; F140-T146 HydrophobicContact CZ-CG2 4.07Å; F140-T146 WeakPolarHBondContact O-CB 3.33Å; F140-T146 PolarHBondContact O-OG1 3.1Å; F141-T146 WeakPolarHBondContact CA-OG1 3.48Å; V142-T146 PolarHBondContact N-OG1 3.07Å; V142-T146 PolarHBondContact O-N 2.83Å
147	L	98.7	Very high	97.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	108.7	166.5	169.5	56.4	0	0	0	107.8	I40 L42 T111 V132 L135 T136 F141 V142 R143 N144	I40-L147 HydrophobicContact CG2-CB 4.5Å; I40-L147 HydrophobicContact CG2-CD1 3.59Å; L42-L147 HydrophobicContact CD1-CD1 4.07Å; L42-L147 HydrophobicContact CG-CD1 4.16Å; T111-L147 HydrophobicContact CG2-CD1 4.23Å; T111-L147 HydrophobicContact CG2-CG 3.92Å; V132-L147 HydrophobicContact CB-CD2 4.28Å; V132-L147 HydrophobicContact CG1-CD2 3.73Å; V132-L147 HydrophobicContact CG2-CD2 4.42Å; L135-L147 HydrophobicContact CB-CD2 3.95Å; L135-L147 HydrophobicContact CD1-CD1 3.74Å; L135-L147 HydrophobicContact CD1-CD2 3.98Å; L135-L147 HydrophobicContact CD1-CG 4.47Å; T136-L147 HydrophobicContact CG2-CD2 3.89Å; F141-L147 HydrophobicContact CB-CB 4.31Å; V142-L147 PolarHBondContact O-N 3.01Å; R143-L147 CarbonylContact C-O 3.24Å; R143-L147 WeakPolarHBondContact CA-O 3.42Å; N144-L147 PolarHBondContact N-O 3.4Å
148	R	98.8	Very high	97.6	Very high	10 Å²	10	28 Å²	28	4%	0.038	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	160.9	-177.3	-50	-69.5	-74.7	-119.1	-20.1	110.5	I40 I41 L42 G109 N144 L171 E174 T175	I40-R148 PolarHBondContact O-N 2.88Å; I41-R148 CarbonylContact C-O 3.58Å; I41-R148 WeakPolarHBondContact CA-O 3.42Å; I41-R148 HydrophobicContact CG1-CB 4.15Å; I41-R148 HydrophobicContact CG2-CB 4.49Å; L42-R148 PolarHBondContact N-O 2.72Å; G109-R148 WeakPolarHBondContact O-CA 3.36Å; G109-R148 WeakPolarHBondContact O-CB 3.34Å; G109-R148 WeakPolarHBondContact O-CD 3.44Å; G109-R148 PolarHBondContact O-NE 3.31Å; N144-R148 PolarHBondContact O-NH1 3.48Å; N144-R148 PolarHBondContact OD1-NE 3.04Å; R148-L171 HydrophobicContact CB-CD2 4.47Å; R148-E174 IonicContact CZ-OE1 3.76Å; R148-E174 IonicContact NH1-OE1 2.73Å; R148-E174 PolarHBondContact NH1-OE1 3.33Å; R148-E174 VanDerWaalsContact NH2-CD 3.33Å; R148-E174 IonicContact NH2-OE1 3.59Å; R148-E174 PolarHBondContact NH2-OE1 3.5Å; R148-E174 IonicContact NH2-OE2 2.95Å; R148-E174 PolarHBondContact NH2-OE2 2.82Å; R148-E174 VanDerWaalsContact NH2-OE2 3.12Å; R148-T175 HydrophobicContact CG-CG2 3.97Å; R148-T175 WeakPolarHBondContact CG-OG1 3.27Å
149	A	98.7	Very high	97.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	155.9	160.5	0	0	0	0	0	110.4	L42 G109 D110 T111 P151	L42-A149 HydrophobicContact CB-CB 4.16Å; L42-A149 VanDerWaalsContact O-CA 3.31Å; L42-A149 WeakPolarHBondContact O-CA 3.34Å; G109-A149 CarbonylContact C-O 3.47Å; G109-A149 WeakPolarHBondContact CA-O 3.18Å; G109-A149 PolarHBondContact N-O 2.92Å; D110-A149 WeakPolarHBondContact O-CB 3.35Å; T111-A149 HydrophobicContact CG2-CB 4.42Å; A149-P151 WeakPolarHBondContact O-CD 3.23Å
150	A	98.8	Very high	97.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.111	C	C	.	.			trans	-124.9	80.3	179.4	0	0	0	0	0	110.4	I41 L42 I43 W108 Y164 L168 L171	I41-A150 HydrophobicContact CG2-CB 4.19Å; L42-A150 PolarHBondContact O-N 3.03Å; I43-A150 HydrophobicContact CD1-CB 3.6Å; W108-A150 HydrophobicContact CH2-CB 3.93Å; W108-A150 HydrophobicContact CZ3-CB 3.91Å; A150-Y164 HydrophobicContact CB-CE2 4.01Å; A150-Y164 WeakPolarHBondContact O-CE2 3.43Å; A150-Y164 PolarHBondContact O-OH 2.85Å; A150-L168 HydrophobicContact CB-CD1 3.84Å; A150-L171 HydrophobicContact CB-CD2 3.71Å
151	P	98.3	Very high	97.8	Very high	6 Å²	6	22.3 Å²	22.3	4%	0.039	11%	0.109	C	C	.	.			trans	-62.3	143.7	177.7	24.4	-32.7	0	0	0	112.2	H44 T49 F105 P106 W108 A149	H44-P151 VanDerWaalsContact NE2-CA 3.31Å; H44-P151 WeakPolarHBondContact NE2-CA 3.45Å; T49-P151 HydrophobicContact CG2-CB 4.11Å; F105-P151 HydrophobicContact CB-CB 4.46Å; P106-P151 VanDerWaalsContact O-CG 3.23Å; P106-P151 WeakPolarHBondContact O-CG 3.4Å; W108-P151 WeakPolarHBondContact CZ3-O 3.24Å; A149-P151 WeakPolarHBondContact O-CD 3.23Å
152	Y	98.4	Very high	97.7	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.016	13%	0.134	C	C	.	.			trans	-141.8	167.3	-177.7	65	-83.3	0	0	0	111.9	I43 H44 F105 F154 Y164 L191 Y195	I43-Y152 HydrophobicContact CG2-CD1 4.24Å; I43-Y152 HydrophobicContact CG2-CE1 3.75Å; H44-Y152 AromaticContact CE1-CD1 3.5Å; H44-Y152 VanDerWaalsContact CE1-CD1 3.5Å; H44-Y152 WeakPolarHBondContact CE1-CD1 3.3Å; H44-Y152 AromaticContact CE1-CE1 3.32Å; H44-Y152 WeakPolarHBondContact CE1-CE1 3.22Å; H44-Y152 AromaticContact CE1-CZ 3.79Å; H44-Y152 AromaticContact ND1-CE1 3.57Å; H44-Y152 AromaticContact ND1-CZ 3.96Å; H44-Y152 AromaticContact NE2-CD1 3.44Å; H44-Y152 WeakPolarHBondContact NE2-CD1 3.5Å; H44-Y152 AromaticContact NE2-CE1 3.63Å; H44-Y152 PolarHBondContact NE2-N 2.76Å; H44-Y152 VanDerWaalsContact NE2-N 3.19Å; H44-Y152 WeakPolarHBondContact O-CE1 3.31Å; H44-Y152 PolarHBondContact O-OH 3.37Å; F105-Y152 WeakPolarHBondContact CD1-O 3.42Å; F105-Y152 WeakPolarHBondContact CG-O 3.28Å; Y152-F154 VanDerWaalsContact C-N 3.32Å; Y152-F154 HydrophobicContact CD2-CB 4.44Å; Y152-F154 HydrophobicContact CE2-CB 3.98Å; Y152-F154 PolarHBondContact O-N 2.89Å; Y152-Y164 HydrophobicContact CD1-CE2 4.3Å; Y152-Y164 HydrophobicContact CG-CE2 4.32Å; Y152-L191 HydrophobicContact CE2-CD2 4.4Å; Y152-Y195 HydrophobicContact CD2-CD1 4.01Å; Y152-Y195 AromaticContact CD2-CE1 3.55Å; Y152-Y195 HydrophobicContact CD2-CE1 3.55Å; Y152-Y195 HydrophobicContact CD2-CE2 4.17Å; Y152-Y195 AromaticContact CD2-CZ 3.63Å; Y152-Y195 HydrophobicContact CE2-CD1 4.03Å; Y152-Y195 AromaticContact CE2-CD2 3.83Å; Y152-Y195 HydrophobicContact CE2-CD2 3.83Å; Y152-Y195 AromaticContact CE2-CE1 3.76Å; Y152-Y195 HydrophobicContact CE2-CE1 3.76Å; Y152-Y195 AromaticContact CE2-CE2 3.52Å; Y152-Y195 HydrophobicContact CE2-CE2 3.52Å; Y152-Y195 HydrophobicContact CE2-CG 4.07Å; Y152-Y195 AromaticContact CE2-CZ 3.49Å; Y152-Y195 VanDerWaalsContact CE2-CZ 3.49Å; Y152-Y195 HydrophobicContact CG-CD1 4.39Å; Y152-Y195 HydrophobicContact CG-CE1 4.23Å
153	D	98.2	Very high	97.7	Very high	19 Å²	19	31.3 Å²	31.3	10%	0.102	15%	0.153	C	C	.	.			trans	-70.5	89.4	172.7	-170.3	-12.8	0	0	0	110.7	F105 R155 K156 N161	F105-D153 HydrophobicContact CD2-CB 3.91Å; F105-D153 VanDerWaalsContact CE2-CA 3.45Å; F105-D153 HydrophobicContact CE2-CB 3.39Å; F105-D153 VanDerWaalsContact CZ-CA 3.46Å; F105-D153 HydrophobicContact CZ-CB 3.76Å; F105-D153 VanDerWaalsContact CZ-CG 3.41Å; F105-D153 WeakPolarHBondContact CZ-OD1 3.49Å; D153-R155 PolarHBondContact O-N 2.9Å; D153-R155 WeakPolarHBondContact OD1-CB 3.48Å; D153-R155 VanDerWaalsContact OD1-CG 3.29Å; D153-R155 WeakPolarHBondContact OD1-CG 3.42Å; D153-R155 IonicContact OD1-CZ 3.73Å; D153-R155 PolarHBondContact OD1-N 3.27Å; D153-R155 IonicContact OD1-NE 2.74Å; D153-R155 PolarHBondContact OD1-NE 3Å; D153-R155 IonicContact OD1-NH2 2.83Å; D153-R155 IonicContact OD2-CZ 2.75Å; D153-R155 IonicContact OD2-NE 3.7Å; D153-R155 PolarHBondContact OD2-NE 2.77Å; D153-R155 IonicContact OD2-NH2 3.37Å; D153-R155 PolarHBondContact OD2-NH2 2.86Å; D153-K156 PolarHBondContact O-N 2.97Å; D153-K156 WeakPolarHBondContact OD2-CE 3.36Å; D153-N161 PolarHBondContact O-ND2 3.19Å
154	F	97.7	Very high	97.7	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.009	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-8.2	-179.3	61.3	-109.9	0	0	0	113.9	I46 G47 T49 V51 W68 M84 F105 Y152 A257	I46-F154 HydrophobicContact CG1-CD2 4.11Å; G47-F154 VanDerWaalsContact N-CD2 3.3Å; G47-F154 VanDerWaalsContact N-CG 3.32Å; T49-F154 HydrophobicContact CG2-CD1 3.94Å; T49-F154 HydrophobicContact CG2-CE1 4.02Å; V51-F154 HydrophobicContact CG2-CE1 3.45Å; V51-F154 VanDerWaalsContact CG2-CE1 3.45Å; V51-F154 HydrophobicContact CG2-CZ 3.5Å; W68-F154 HydrophobicContact CD2-CZ 4.23Å; W68-F154 HydrophobicContact CG-CZ 4.17Å; M84-F154 HydrophobicContact CE-CE2 4.12Å; M84-F154 HydrophobicContact CE-CZ 4.12Å; F105-F154 HydrophobicContact CD1-CD1 4.06Å; F105-F154 HydrophobicContact CD1-CE1 4.06Å; F105-F154 AromaticContact CE1-CD1 3.72Å; F105-F154 HydrophobicContact CE1-CD1 3.72Å; F105-F154 AromaticContact CE1-CE1 3.65Å; F105-F154 HydrophobicContact CE1-CE1 3.65Å; F105-F154 HydrophobicContact CE1-CG 4.35Å; F105-F154 HydrophobicContact CE1-CZ 4.2Å; Y152-F154 VanDerWaalsContact C-N 3.32Å; Y152-F154 HydrophobicContact CD2-CB 4.44Å; Y152-F154 HydrophobicContact CE2-CB 3.98Å; Y152-F154 PolarHBondContact O-N 2.89Å; F154-A257 WeakPolarHBondContact O-CB 3.41Å
155	R	98.1	Very high	97.7	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.008	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-26.7	174.3	-53	173.5	-65.9	168.7	0	110.4	M84 L86 D97 F105 D153 F255 P256 A257	M84-R155 HydrophobicContact CE-CG 4.28Å; M84-R155 VanDerWaalsContact O-CD 3.25Å; M84-R155 WeakPolarHBondContact O-CD 3.43Å; M84-R155 PolarHBondContact O-NH1 3.27Å; L86-R155 HydrophobicContact CD1-CB 3.65Å; L86-R155 HydrophobicContact CG-CB 4.48Å; D97-R155 IonicContact OD1-CZ 3.26Å; D97-R155 VanDerWaalsContact OD1-CZ 3.26Å; D97-R155 IonicContact OD1-NH1 2.72Å; D97-R155 PolarHBondContact OD1-NH1 3.39Å; D97-R155 IonicContact OD1-NH2 2.89Å; D97-R155 PolarHBondContact OD1-NH2 2.95Å; F105-R155 HydrophobicContact CZ-CG 4.48Å; D153-R155 PolarHBondContact O-N 2.9Å; D153-R155 WeakPolarHBondContact OD1-CB 3.48Å; D153-R155 VanDerWaalsContact OD1-CG 3.29Å; D153-R155 WeakPolarHBondContact OD1-CG 3.42Å; D153-R155 IonicContact OD1-CZ 3.73Å; D153-R155 PolarHBondContact OD1-N 3.27Å; D153-R155 IonicContact OD1-NE 2.74Å; D153-R155 PolarHBondContact OD1-NE 3Å; D153-R155 IonicContact OD1-NH2 2.83Å; D153-R155 IonicContact OD2-CZ 2.75Å; D153-R155 IonicContact OD2-NE 3.7Å; D153-R155 PolarHBondContact OD2-NE 2.77Å; D153-R155 IonicContact OD2-NH2 3.37Å; D153-R155 PolarHBondContact OD2-NH2 2.86Å; R155-F255 HydrophobicContact CB-CB 4.27Å; R155-F255 HydrophobicContact CB-CD1 3.59Å; R155-F255 HydrophobicContact CB-CD2 4.33Å; R155-F255 HydrophobicContact CB-CE1 4Å; R155-F255 HydrophobicContact CB-CG 3.8Å; R155-F255 HydrophobicContact CG-CD1 3.79Å; R155-F255 HydrophobicContact CG-CD2 4.27Å; R155-F255 HydrophobicContact CG-CE1 3.63Å; R155-F255 HydrophobicContact CG-CE2 4.13Å; R155-F255 HydrophobicContact CG-CG 4.12Å; R155-F255 HydrophobicContact CG-CZ 3.83Å; R155-F255 CarbonylContact O-C 3.57Å; R155-F255 VanDerWaalsContact O-C 3.26Å; R155-F255 VanDerWaalsContact O-CA 3.28Å; R155-F255 WeakPolarHBondContact O-CA 3.41Å; R155-F255 VanDerWaalsContact O-CB 3.31Å; R155-F255 WeakPolarHBondContact O-CB 3.43Å; R155-P256 WeakPolarHBondContact O-CD 3.5Å; R155-P256 VanDerWaalsContact O-N 3.07Å; R155-A257 WeakPolarHBondContact O-CB 3.49Å; R155-A257 PolarHBondContact O-N 3.49Å
156	K	97.9	Very high	97.7	Very high	32 Å²	32	27 Å²	27	14%	0.139	14%	0.137	C	C	.	.	S	Bend	trans	-98.8	159.3	-174.1	-60.4	-172	178.7	-148.5	0	112.1	L86 T95 D153 E160 Y195	L86-K156 HydrophobicContact CD1-CG 4Å; T95-K156 PolarHBondContact O-NZ 3.06Å; T95-K156 VanDerWaalsContact O-NZ 3.07Å; T95-K156 VanDerWaalsContact OG1-CE 3.25Å; T95-K156 WeakPolarHBondContact OG1-CE 3.45Å; T95-K156 PolarHBondContact OG1-NZ 3.33Å; D153-K156 PolarHBondContact O-N 2.97Å; D153-K156 WeakPolarHBondContact OD2-CE 3.36Å; K156-E160 HydrophobicContact CB-CB 4.18Å; K156-E160 HydrophobicContact CD-CB 3.92Å; K156-E160 IonicContact NZ-OE1 3.83Å; K156-Y195 PolarHBondContact O-OH 2.95Å
157	A	97.1	Very high	97.7	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.154	C	C	.	.			trans	-87.2	165.1	168.9	0	0	0	0	0	111	N159 E160 Y195 P256 F260 T306	A157-N159 VanDerWaalsContact C-N 3.27Å; A157-N159 VanDerWaalsContact CB-OD1 3.27Å; A157-N159 WeakPolarHBondContact CB-OD1 3.31Å; A157-N159 PolarHBondContact O-N 2.88Å; A157-E160 PolarHBondContact O-N 3.05Å; A157-E160 VanDerWaalsContact O-N 3.09Å; A157-Y195 PolarHBondContact O-OH 2.84Å; A157-P256 HydrophobicContact CB-CB 4.45Å; A157-F260 HydrophobicContact CB-CB 3.91Å; A157-F260 HydrophobicContact CB-CD1 4.41Å; A157-F260 HydrophobicContact CB-CG 4.12Å; A157-T306 HydrophobicContact CB-CG2 3.36Å
158	P	97.3	Very high	97.7	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-54.5	-37.1	-174.5	-29.3	35.8	0	0	0	115	E160 N161 F165 Y195 Y198 F260	P158-E160 PolarHBondContact O-N 3.06Å; P158-E160 VanDerWaalsContact O-N 3.1Å; P158-N161 PolarHBondContact O-N 3.24Å; P158-F165 HydrophobicContact CB-CE2 4.14Å; P158-F165 HydrophobicContact CB-CZ 3.95Å; P158-F165 WeakPolarHBondContact O-CE2 3.49Å; P158-Y195 HydrophobicContact CG-CD2 3.89Å; P158-Y195 HydrophobicContact CG-CE1 4.43Å; P158-Y195 HydrophobicContact CG-CE2 3.76Å; P158-Y195 HydrophobicContact CG-CG 4.3Å; P158-Y198 HydrophobicContact CB-CD1 3.52Å; P158-Y198 HydrophobicContact CB-CD2 4.21Å; P158-Y198 HydrophobicContact CB-CE1 3.83Å; P158-Y198 HydrophobicContact CB-CG 3.69Å; P158-Y198 HydrophobicContact CG-CG 4.44Å; P158-F260 HydrophobicContact CG-CE1 4.12Å; P158-F260 HydrophobicContact CG-CZ 4.24Å
159	N	95	Very high	97.8	Very high	57 Å²	57	33.4 Å²	33.4	31%	0.305	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-57.3	-26	179.3	62	-42.2	0	0	0	114	A157 V309	A157-N159 VanDerWaalsContact C-N 3.27Å; A157-N159 VanDerWaalsContact CB-OD1 3.27Å; A157-N159 WeakPolarHBondContact CB-OD1 3.31Å; A157-N159 PolarHBondContact O-N 2.88Å; N159-V309 HydrophobicContact CB-CG1 4.14Å
160	E	95.9	Very high	97.8	Very high	27 Å²	27	38.8 Å²	38.8	13%	0.126	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-98.6	1.3	179.4	-64.3	-169.2	70.4	0	0	114.1	Q94 T95 K156 A157 P158 P256	Q94-E160 WeakPolarHBondContact CA-OE1 3.44Å; T95-E160 WeakPolarHBondContact CB-OE1 3.29Å; T95-E160 PolarHBondContact N-OE1 2.95Å; T95-E160 PolarHBondContact OG1-OE1 2.89Å; T95-E160 PolarHBondContact OG1-OE2 3.48Å; K156-E160 HydrophobicContact CB-CB 4.18Å; K156-E160 HydrophobicContact CD-CB 3.92Å; K156-E160 IonicContact NZ-OE1 3.83Å; A157-E160 PolarHBondContact O-N 3.05Å; A157-E160 VanDerWaalsContact O-N 3.09Å; P158-E160 PolarHBondContact O-N 3.06Å; P158-E160 VanDerWaalsContact O-N 3.1Å; E160-P256 WeakPolarHBondContact OE2-CG 3.28Å
161	N	96.4	Very high	97.8	Very high	19 Å²	19	38.9 Å²	38.9	10%	0.102	19%	0.19	C	C	.	.			trans	-110.9	34	-176.7	-94.9	-39	0	0	0	112.5	D153 P158 K163 Y164 F165 Y195	D153-N161 PolarHBondContact O-ND2 3.19Å; P158-N161 PolarHBondContact O-N 3.24Å; N161-K163 VanDerWaalsContact C-N 3.34Å; N161-K163 PolarHBondContact O-N 2.92Å; N161-Y164 VanDerWaalsContact O-CB 3.27Å; N161-Y164 WeakPolarHBondContact O-CB 3.41Å; N161-Y164 PolarHBondContact O-N 3.32Å; N161-F165 HydrophobicContact CB-CE2 4.15Å; N161-F165 WeakPolarHBondContact O-CD2 3.48Å; N161-F165 PolarHBondContact O-N 2.89Å; N161-Y195 HydrophobicContact CB-CE1 3.91Å; N161-Y195 PolarHBondContact ND2-OH 2.92Å
162	S	96.3	Very high	97.8	Very high	79 Å²	79	38.6 Å²	38.6	55%	0.552	19%	0.188	S	C	*	.	H	α-helix	trans	-53.8	-43.9	-178	58.8	0	0	0	0	114	Y164 F165 I166	S162-Y164 VanDerWaalsContact C-N 3.27Å; S162-Y164 PolarHBondContact O-N 3.39Å; S162-F165 PolarHBondContact O-N 3.49Å; S162-I166 PolarHBondContact O-N 3.48Å
163	K	97.3	Very high	97.8	Very high	170 Å²	170	41.4 Å²	41.4	74%	0.739	20%	0.201	S	C	*	.	H	α-helix	trans	-61.5	-34.4	176.6	-68.2	-177.5	-178.8	177.3	0	112.6	N161 I166 K167	N161-K163 VanDerWaalsContact C-N 3.34Å; N161-K163 PolarHBondContact O-N 2.92Å; K163-I166 PolarHBondContact O-N 2.84Å; K163-K167 WeakPolarHBondContact O-CG 3.4Å; K163-K167 PolarHBondContact O-N 3.25Å; K163-K167 VanDerWaalsContact O-N 3.17Å
164	Y	98.4	Very high	97.8	Very high	13 Å²	13	44.6 Å²	44.6	5%	0.051	22%	0.216	C	C	.	.	H	α-helix	trans	-63	-43.9	176.5	161	-95.8	0	0	0	111	I43 W108 A150 Y152 N161 S162 I166 K167 L168 Y195	I43-Y164 WeakPolarHBondContact CD1-OH 3.46Å; W108-Y164 AromaticContact CH2-CD2 3.96Å; W108-Y164 HydrophobicContact CH2-CD2 3.96Å; W108-Y164 AromaticContact CH2-CE2 3.96Å; W108-Y164 HydrophobicContact CH2-CE2 3.96Å; W108-Y164 AromaticContact CZ3-CD2 3.64Å; W108-Y164 HydrophobicContact CZ3-CD2 3.64Å; W108-Y164 AromaticContact CZ3-CE2 3.68Å; W108-Y164 HydrophobicContact CZ3-CE2 3.68Å; A150-Y164 HydrophobicContact CB-CE2 4.01Å; A150-Y164 WeakPolarHBondContact O-CE2 3.43Å; A150-Y164 PolarHBondContact O-OH 2.85Å; Y152-Y164 HydrophobicContact CD1-CE2 4.3Å; Y152-Y164 HydrophobicContact CG-CE2 4.32Å; N161-Y164 VanDerWaalsContact O-CB 3.27Å; N161-Y164 WeakPolarHBondContact O-CB 3.41Å; N161-Y164 PolarHBondContact O-N 3.32Å; S162-Y164 VanDerWaalsContact C-N 3.27Å; S162-Y164 PolarHBondContact O-N 3.39Å; Y164-I166 VanDerWaalsContact C-N 3.33Å; Y164-I166 PolarHBondContact O-N 3.07Å; Y164-K167 CarbonylContact O-C 3.58Å; Y164-K167 PolarHBondContact O-N 3.22Å; Y164-L168 HydrophobicContact CE1-CB 4.45Å; Y164-L168 HydrophobicContact CE1-CD2 3.94Å; Y164-L168 WeakPolarHBondContact O-CB 3.28Å; Y164-L168 PolarHBondContact O-N 2.85Å; Y164-Y195 HydrophobicContact CD1-CD1 4.15Å; Y164-Y195 HydrophobicContact CD1-CE1 4.39Å; Y164-Y195 AromaticContact CE1-CD1 3.83Å; Y164-Y195 HydrophobicContact CE1-CD1 3.83Å; Y164-Y195 HydrophobicContact CE1-CE1 4.48Å
165	F	98.5	Very high	97.9	Very high	16 Å²	16	44.5 Å²	44.5	7%	0.07	22%	0.215	C	C	.	.	H	α-helix	trans	-67.2	-32.5	-179.2	-63.6	-63.4	0	0	0	113.5	P158 N161 S162 L168 K169 Y195 Y198 F199	P158-F165 HydrophobicContact CB-CE2 4.14Å; P158-F165 HydrophobicContact CB-CZ 3.95Å; P158-F165 WeakPolarHBondContact O-CE2 3.49Å; N161-F165 HydrophobicContact CB-CE2 4.15Å; N161-F165 WeakPolarHBondContact O-CD2 3.48Å; N161-F165 PolarHBondContact O-N 2.89Å; S162-F165 PolarHBondContact O-N 3.49Å; F165-L168 HydrophobicContact CD1-CD2 4.36Å; F165-L168 PolarHBondContact O-N 3.16Å; F165-K169 PolarHBondContact O-N 2.83Å; F165-Y195 AromaticContact CE1-CD1 3.87Å; F165-Y195 HydrophobicContact CE1-CD1 3.87Å; F165-Y195 HydrophobicContact CE2-CD1 4.46Å; F165-Y195 HydrophobicContact CE2-CE1 4.44Å; F165-Y195 AromaticContact CZ-CD1 3.44Å; F165-Y195 HydrophobicContact CZ-CD1 3.44Å; F165-Y195 VanDerWaalsContact CZ-CD1 3.44Å; F165-Y195 AromaticContact CZ-CE1 3.8Å; F165-Y195 HydrophobicContact CZ-CE1 3.8Å; F165-Y195 HydrophobicContact CZ-CG 4.31Å; F165-Y198 HydrophobicContact CD1-CD1 4.43Å; F165-Y198 HydrophobicContact CD2-CD1 4.12Å; F165-Y198 AromaticContact CD2-CE1 3.74Å; F165-Y198 HydrophobicContact CD2-CE1 3.74Å; F165-Y198 AromaticContact CE1-CD1 3.84Å; F165-Y198 HydrophobicContact CE1-CD1 3.84Å; F165-Y198 HydrophobicContact CE1-CE1 4.44Å; F165-Y198 AromaticContact CE2-CD1 3.52Å; F165-Y198 HydrophobicContact CE2-CD1 3.52Å; F165-Y198 AromaticContact CE2-CE1 3.37Å; F165-Y198 HydrophobicContact CE2-CE1 3.37Å; F165-Y198 HydrophobicContact CG-CE1 4.45Å; F165-Y198 AromaticContact CZ-CD1 3.36Å; F165-Y198 HydrophobicContact CZ-CD1 3.36Å; F165-Y198 AromaticContact CZ-CE1 3.77Å; F165-Y198 HydrophobicContact CZ-CE1 3.77Å; F165-Y198 HydrophobicContact CZ-CG 4.5Å; F165-F199 HydrophobicContact CB-CD2 4.12Å; F165-F199 HydrophobicContact CD1-CB 3.71Å; F165-F199 AromaticContact CD1-CD2 3.81Å; F165-F199 HydrophobicContact CD1-CD2 3.81Å; F165-F199 HydrophobicContact CD1-CG 4.15Å; F165-F199 HydrophobicContact CE1-CB 3.9Å; F165-F199 HydrophobicContact CG-CD2 4.38Å
166	I	98.5	Very high	97.9	Very high	106 Å²	106	45.9 Å²	45.9	54%	0.544	22%	0.221	S	C	.	.	H	α-helix	trans	-62.5	-49.8	171.3	-63.2	170	0	0	0	109.8	S162 K163 Y164 L168 K169 Q170	S162-I166 PolarHBondContact O-N 3.48Å; K163-I166 PolarHBondContact O-N 2.84Å; Y164-I166 VanDerWaalsContact C-N 3.33Å; Y164-I166 PolarHBondContact O-N 3.07Å; I166-L168 VanDerWaalsContact C-N 3.33Å; I166-L168 PolarHBondContact O-N 3.03Å; I166-K169 PolarHBondContact O-N 2.98Å; I166-Q170 PolarHBondContact O-N 3.37Å
167	K	98.5	Very high	97.9	Very high	90 Å²	90	48.9 Å²	48.9	39%	0.391	24%	0.235	S	C	.	.	H	α-helix	trans	-64.3	-38.1	177.9	-66.6	179.6	66.2	-169.2	0	112	W108 K163 Y164 K169 Q170 L171	W108-K167 HydrophobicContact CH2-CB 3.63Å; W108-K167 HydrophobicContact CZ2-CB 3.38Å; W108-K167 WeakPolarHBondContact CZ2-O 3.47Å; K163-K167 WeakPolarHBondContact O-CG 3.4Å; K163-K167 PolarHBondContact O-N 3.25Å; K163-K167 VanDerWaalsContact O-N 3.17Å; Y164-K167 CarbonylContact O-C 3.58Å; Y164-K167 PolarHBondContact O-N 3.22Å; K167-K169 VanDerWaalsContact C-N 3.33Å; K167-K169 PolarHBondContact O-N 3.26Å; K167-Q170 WeakPolarHBondContact O-CB 3.27Å; K167-Q170 PolarHBondContact O-N 3.41Å; K167-L171 WeakPolarHBondContact O-CB 3.28Å; K167-L171 PolarHBondContact O-N 3.03Å
168	L	98.9	Very high	97.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-61.9	-42.2	178.4	178.2	60.9	0	0	0	111	I41 I43 A150 Y164 F165 I166 Q170 L171 I172 F199	I41-L168 HydrophobicContact CG2-CD1 4.48Å; I43-L168 HydrophobicContact CD1-CD1 4.01Å; A150-L168 HydrophobicContact CB-CD1 3.84Å; Y164-L168 HydrophobicContact CE1-CB 4.45Å; Y164-L168 HydrophobicContact CE1-CD2 3.94Å; Y164-L168 WeakPolarHBondContact O-CB 3.28Å; Y164-L168 PolarHBondContact O-N 2.85Å; F165-L168 HydrophobicContact CD1-CD2 4.36Å; F165-L168 PolarHBondContact O-N 3.16Å; I166-L168 VanDerWaalsContact C-N 3.33Å; I166-L168 PolarHBondContact O-N 3.03Å; L168-Q170 PolarHBondContact O-N 2.79Å; L168-L171 PolarHBondContact O-N 2.83Å; L168-I172 HydrophobicContact CD1-CD1 4.14Å; L168-I172 HydrophobicContact CD1-CG1 4.38Å; L168-I172 HydrophobicContact CG-CD1 3.99Å; L168-I172 WeakPolarHBondContact O-CG1 3.32Å; L168-I172 PolarHBondContact O-N 2.67Å; L168-F199 HydrophobicContact CD2-CB 4.19Å; L168-F199 HydrophobicContact CD2-CD1 3.93Å; L168-F199 HydrophobicContact CD2-CD2 4.02Å; L168-F199 HydrophobicContact CD2-CE1 4.35Å; L168-F199 HydrophobicContact CD2-CE2 4.41Å; L168-F199 HydrophobicContact CD2-CG 3.76Å; L168-F199 HydrophobicContact CG-CE1 4.48Å; L168-F199 HydrophobicContact CG-CE2 4.46Å; L168-F199 HydrophobicContact CG-CZ 4.43Å
169	K	98.8	Very high	97.9	Very high	59 Å²	59	51.6 Å²	51.6	26%	0.257	25%	0.25	S	C	.	.	H	α-helix	trans	-58	-48	174.2	-170.1	169.7	-173.1	155.7	0	111.6	F165 I166 K167 L171 I172 E173 F199 W207	F165-K169 PolarHBondContact O-N 2.83Å; I166-K169 PolarHBondContact O-N 2.98Å; K167-K169 VanDerWaalsContact C-N 3.33Å; K167-K169 PolarHBondContact O-N 3.26Å; K169-L171 PolarHBondContact O-N 2.9Å; K169-I172 PolarHBondContact O-N 2.82Å; K169-E173 WeakPolarHBondContact O-CG 3.35Å; K169-E173 PolarHBondContact O-N 2.81Å; K169-F199 HydrophobicContact CB-CE2 4.04Å; K169-F199 HydrophobicContact CB-CZ 4.07Å; K169-F199 HydrophobicContact CG-CZ 4.46Å; K169-W207 VanDerWaalsContact CE-CD1 3.43Å; K169-W207 HydrophobicContact CG-CH2 4.5Å; K169-W207 HydrophobicContact CG-CZ2 3.65Å
170	Q	98.7	Very high	97.9	Very high	114 Å²	114	52.2 Å²	52.2	53%	0.533	26%	0.263	S	S	.	.	H	α-helix	trans	-61.7	-42.2	176.9	-66.9	172.2	-23.9	0	0	112.1	I166 K167 L168 I172 E173 E174	I166-Q170 PolarHBondContact O-N 3.37Å; K167-Q170 WeakPolarHBondContact O-CB 3.27Å; K167-Q170 PolarHBondContact O-N 3.41Å; L168-Q170 PolarHBondContact O-N 2.79Å; Q170-I172 VanDerWaalsContact C-N 3.32Å; Q170-I172 PolarHBondContact O-N 3.11Å; Q170-E173 PolarHBondContact O-N 3.33Å; Q170-E174 WeakPolarHBondContact O-CB 3.17Å; Q170-E174 PolarHBondContact O-N 2.7Å
171	L	98.9	Very high	97.9	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-62.1	-40.9	177.5	-175.4	70.7	0	0	0	111.3	I41 W108 R148 A150 K167 L168 K169 E174 T175	I41-L171 HydrophobicContact CD1-CD2 4.09Å; I41-L171 HydrophobicContact CD1-CG 3.97Å; I41-L171 HydrophobicContact CG2-CD2 4.11Å; W108-L171 HydrophobicContact CZ2-CB 4.01Å; W108-L171 HydrophobicContact CZ2-CD2 4.06Å; R148-L171 HydrophobicContact CB-CD2 4.47Å; A150-L171 HydrophobicContact CB-CD2 3.71Å; K167-L171 WeakPolarHBondContact O-CB 3.28Å; K167-L171 PolarHBondContact O-N 3.03Å; L168-L171 PolarHBondContact O-N 2.83Å; K169-L171 PolarHBondContact O-N 2.9Å; L171-E174 PolarHBondContact O-N 2.7Å; L171-T175 VanDerWaalsContact O-CB 3.3Å; L171-T175 WeakPolarHBondContact O-CB 3.42Å; L171-T175 PolarHBondContact O-N 3.38Å; L171-T175 PolarHBondContact O-OG1 2.97Å
172	I	98.9	Very high	97.9	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-62.7	-45.8	176.3	-72.2	164.6	0	0	0	111	I41 L168 K169 Q170 T175 Y176 I184 F199 W207 I212	I41-I172 HydrophobicContact CD1-CB 4.33Å; I41-I172 HydrophobicContact CD1-CG1 3.55Å; L168-I172 HydrophobicContact CD1-CD1 4.14Å; L168-I172 HydrophobicContact CD1-CG1 4.38Å; L168-I172 HydrophobicContact CG-CD1 3.99Å; L168-I172 WeakPolarHBondContact O-CG1 3.32Å; L168-I172 PolarHBondContact O-N 2.67Å; K169-I172 PolarHBondContact O-N 2.82Å; Q170-I172 VanDerWaalsContact C-N 3.32Å; Q170-I172 PolarHBondContact O-N 3.11Å; I172-T175 PolarHBondContact O-N 2.86Å; I172-Y176 WeakPolarHBondContact O-CB 3.42Å; I172-Y176 PolarHBondContact O-N 3Å; I172-I184 HydrophobicContact CG1-CD1 4.16Å; I172-I184 HydrophobicContact CG1-CG1 4.38Å; I172-I184 HydrophobicContact CG2-CD1 4.3Å; I172-I184 HydrophobicContact CG2-CG1 3.8Å; I172-F199 HydrophobicContact CD1-CD1 4.35Å; I172-F199 HydrophobicContact CD1-CE1 3.44Å; I172-F199 VanDerWaalsContact CD1-CE1 3.44Å; I172-F199 HydrophobicContact CD1-CZ 3.84Å; I172-W207 HydrophobicContact CB-CH2 4.05Å; I172-W207 HydrophobicContact CB-CZ2 4.13Å; I172-W207 HydrophobicContact CD1-CH2 3.81Å; I172-W207 HydrophobicContact CG2-CH2 3.55Å; I172-W207 HydrophobicContact CG2-CZ2 3.72Å; I172-I212 HydrophobicContact CD1-CD1 4.23Å; I172-I212 HydrophobicContact CG2-CD1 4.01Å
173	E	98.9	Very high	98	Very high	62 Å²	62	57.1 Å²	57.1	29%	0.29	27%	0.274	S	S	.	.	H	α-helix	trans	-63.5	-42	178.3	-68.2	169.2	-179.5	0	0	111.8	K169 Q170 Y176 E177 W207 Y211	K169-E173 WeakPolarHBondContact O-CG 3.35Å; K169-E173 PolarHBondContact O-N 2.81Å; Q170-E173 PolarHBondContact O-N 3.33Å; E173-Y176 WeakPolarHBondContact O-CB 3.5Å; E173-Y176 PolarHBondContact O-N 2.84Å; E173-E177 PolarHBondContact O-N 3.32Å; E173-W207 HydrophobicContact CG-CZ2 4.34Å; E173-W207 PolarHBondContact OE1-NE1 3.04Å; E173-Y211 HydrophobicContact CB-CE1 4.15Å; E173-Y211 HydrophobicContact CG-CD1 4.15Å; E173-Y211 HydrophobicContact CG-CD2 4.49Å; E173-Y211 HydrophobicContact CG-CE1 3.79Å; E173-Y211 HydrophobicContact CG-CE2 4.17Å; E173-Y211 HydrophobicContact CG-CG 4.49Å
174	E	98.8	Very high	98.1	Very high	87 Å²	87	49 Å²	49	41%	0.407	24%	0.239	S	C	.	.	H	α-helix	trans	-63.6	-43.6	174.1	-169.2	-157.7	141.4	0	0	111.6	R148 Q170 L171 Y176 E177 N178	R148-E174 IonicContact CZ-OE1 3.76Å; R148-E174 IonicContact NH1-OE1 2.73Å; R148-E174 PolarHBondContact NH1-OE1 3.33Å; R148-E174 VanDerWaalsContact NH2-CD 3.33Å; R148-E174 IonicContact NH2-OE1 3.59Å; R148-E174 PolarHBondContact NH2-OE1 3.5Å; R148-E174 IonicContact NH2-OE2 2.95Å; R148-E174 PolarHBondContact NH2-OE2 2.82Å; R148-E174 VanDerWaalsContact NH2-OE2 3.12Å; Q170-E174 WeakPolarHBondContact O-CB 3.17Å; Q170-E174 PolarHBondContact O-N 2.7Å; L171-E174 PolarHBondContact O-N 2.7Å; E174-Y176 VanDerWaalsContact C-N 3.3Å; E174-Y176 PolarHBondContact O-N 3.09Å; E174-E177 PolarHBondContact O-N 2.78Å; E174-N178 WeakPolarHBondContact O-CB 3.34Å; E174-N178 VanDerWaalsContact O-CG 3.31Å; E174-N178 PolarHBondContact O-N 3.15Å; E174-N178 PolarHBondContact O-ND2 3.44Å; E174-N178 PolarHBondContact OE1-ND2 3.15Å
175	T	98.8	Very high	98.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.3	-35.9	-179.7	-53.5	0	0	0	0	111.3	P39 I41 R148 L171 I172 N178 G179 I184	P39-T175 HydrophobicContact CB-CG2 3.6Å; I41-T175 HydrophobicContact CD1-CG2 4.45Å; I41-T175 HydrophobicContact CG1-CG2 4.22Å; R148-T175 HydrophobicContact CG-CG2 3.97Å; R148-T175 WeakPolarHBondContact CG-OG1 3.27Å; L171-T175 VanDerWaalsContact O-CB 3.3Å; L171-T175 WeakPolarHBondContact O-CB 3.42Å; L171-T175 PolarHBondContact O-N 3.38Å; L171-T175 PolarHBondContact O-OG1 2.97Å; I172-T175 PolarHBondContact O-N 2.86Å; T175-N178 PolarHBondContact O-N 3.44Å; T175-G179 PolarHBondContact O-N 2.98Å; T175-I184 HydrophobicContact CG2-CG2 3.89Å
176	Y	98.7	Very high	98.1	Very high	31 Å²	31	48 Å²	48	12%	0.122	23%	0.234	C	C	.	.	H	α-helix	trans	-59.9	-49.3	172.1	167.7	-90.6	0	0	0	111.8	I172 E173 E174 G179 K181 R182 K210 Y211	I172-Y176 WeakPolarHBondContact O-CB 3.42Å; I172-Y176 PolarHBondContact O-N 3Å; E173-Y176 WeakPolarHBondContact O-CB 3.5Å; E173-Y176 PolarHBondContact O-N 2.84Å; E174-Y176 VanDerWaalsContact C-N 3.3Å; E174-Y176 PolarHBondContact O-N 3.09Å; Y176-G179 PolarHBondContact O-N 3.3Å; Y176-K181 HydrophobicContact CD1-CB 4.49Å; Y176-K181 HydrophobicContact CD1-CG 4.43Å; Y176-K181 HydrophobicContact CE1-CB 3.72Å; Y176-K181 HydrophobicContact CE1-CD 4.49Å; Y176-K181 HydrophobicContact CE1-CG 3.76Å; Y176-K181 HydrophobicContact CE2-CB 4.23Å; Y176-K181 WeakPolarHBondContact CE2-O 3.48Å; Y176-K181 VanDerWaalsContact CZ-CA 3.5Å; Y176-K181 VanDerWaalsContact CZ-O 3.27Å; Y176-K181 WeakPolarHBondContact O-CA 3.25Å; Y176-K181 PolarHBondContact O-N 3.4Å; Y176-K181 PolarHBondContact OH-O 3Å; Y176-R182 VanDerWaalsContact CD2-O 3.28Å; Y176-R182 WeakPolarHBondContact CD2-O 3.46Å; Y176-K210 WeakPolarHBondContact CE2-O 3.41Å; Y176-Y211 HydrophobicContact CD1-CD1 4.09Å; Y176-Y211 AromaticContact CD1-CE1 3.77Å; Y176-Y211 HydrophobicContact CD1-CE1 3.77Å; Y176-Y211 HydrophobicContact CD2-CD1 4.01Å; Y176-Y211 HydrophobicContact CD2-CE1 4.46Å; Y176-Y211 HydrophobicContact CE1-CE1 4.28Å; Y176-Y211 AromaticContact CG-CD1 3.69Å; Y176-Y211 HydrophobicContact CG-CD1 3.69Å; Y176-Y211 AromaticContact CG-CE1 3.88Å; Y176-Y211 HydrophobicContact CG-CE1 3.88Å
177	E	98.3	Very high	98.1	Very high	95 Å²	95	42.9 Å²	42.9	44%	0.444	21%	0.209	S	C	.	.	H	α-helix	trans	-63	-44.7	178.2	-67.3	-61.1	152.7	0	0	111.2	E173 E174 G179 A180 K181	E173-E177 PolarHBondContact O-N 3.32Å; E174-E177 PolarHBondContact O-N 2.78Å; E177-G179 PolarHBondContact O-N 2.98Å; E177-A180 PolarHBondContact O-N 2.96Å; E177-K181 WeakPolarHBondContact OE2-CE 3.43Å
178	N	97	Very high	98.2	Very high	56 Å²	56	38.6 Å²	38.6	30%	0.299	19%	0.19	S	C	.	.	H	α-helix	trans	-62.1	-30.3	175.9	-74.8	-25.5	0	0	0	113.1	K145 E174 T175 A180	K145-N178 HydrophobicContact CG-CB 3.82Å; K145-N178 WeakPolarHBondContact O-CB 3.36Å; E174-N178 WeakPolarHBondContact O-CB 3.34Å; E174-N178 VanDerWaalsContact O-CG 3.31Å; E174-N178 PolarHBondContact O-N 3.15Å; E174-N178 PolarHBondContact O-ND2 3.44Å; E174-N178 PolarHBondContact OE1-ND2 3.15Å; T175-N178 PolarHBondContact O-N 3.44Å; N178-A180 VanDerWaalsContact C-N 3.27Å; N178-A180 PolarHBondContact O-N 3.39Å
179	G	96.2	Very high	98.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	23.7	-179.1	0	0	0	0	0	115.6	T175 Y176 E177 K181 R182	T175-G179 PolarHBondContact O-N 2.98Å; Y176-G179 PolarHBondContact O-N 3.3Å; E177-G179 PolarHBondContact O-N 2.98Å; G179-K181 VanDerWaalsContact C-N 3.3Å; G179-K181 PolarHBondContact O-N 3.41Å; G179-R182 WeakPolarHBondContact O-CB 3.27Å; G179-R182 WeakPolarHBondContact O-CG 3.21Å; G179-R182 PolarHBondContact O-N 3.24Å
180	A	95.1	Very high	98.1	Very high	71 Å²	71	36.3 Å²	36.3	59%	0.587	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	40.2	-174.1	0	0	0	0	0	113	E177 N178 R182	E177-A180 PolarHBondContact O-N 2.96Å; N178-A180 VanDerWaalsContact C-N 3.27Å; N178-A180 PolarHBondContact O-N 3.39Å; A180-R182 PolarHBondContact O-N 2.74Å
181	K	97	Very high	98.1	Very high	129 Å²	129	30.9 Å²	30.9	56%	0.561	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	33.4	178.4	-63.5	-176.6	176.4	179.3	0	113.5	Y176 E177 G179	Y176-K181 HydrophobicContact CD1-CB 4.49Å; Y176-K181 HydrophobicContact CD1-CG 4.43Å; Y176-K181 HydrophobicContact CE1-CB 3.72Å; Y176-K181 HydrophobicContact CE1-CD 4.49Å; Y176-K181 HydrophobicContact CE1-CG 3.76Å; Y176-K181 HydrophobicContact CE2-CB 4.23Å; Y176-K181 WeakPolarHBondContact CE2-O 3.48Å; Y176-K181 VanDerWaalsContact CZ-CA 3.5Å; Y176-K181 VanDerWaalsContact CZ-O 3.27Å; Y176-K181 WeakPolarHBondContact O-CA 3.25Å; Y176-K181 PolarHBondContact O-N 3.4Å; Y176-K181 PolarHBondContact OH-O 3Å; E177-K181 WeakPolarHBondContact OE2-CE 3.43Å; G179-K181 VanDerWaalsContact C-N 3.3Å; G179-K181 PolarHBondContact O-N 3.41Å
182	R	96.2	Very high	98.1	Very high	69 Å²	69	30.8 Å²	30.8	26%	0.26	16%	0.155	S	C	.	.	P	Polyproline II helix	trans	-98	136.8	174	-62.4	176.8	-175.8	165.2	-0.7	109.4	R37 Y38 Y176 G179 A180	R37-R182 VanDerWaalsContact N-NH1 3.13Å; R37-R182 WeakPolarHBondContact O-CD 3.36Å; R37-R182 PolarHBondContact O-NH1 2.84Å; Y38-R182 HydrophobicContact CD1-CB 4.32Å; Y176-R182 VanDerWaalsContact CD2-O 3.28Å; Y176-R182 WeakPolarHBondContact CD2-O 3.46Å; G179-R182 WeakPolarHBondContact O-CB 3.27Å; G179-R182 WeakPolarHBondContact O-CG 3.21Å; G179-R182 PolarHBondContact O-N 3.24Å; A180-R182 PolarHBondContact O-N 2.74Å
183	P	98.2	Very high	98.1	Very high	30 Å²	30	30.8 Å²	30.8	20%	0.195	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-61.1	151	176.7	28.3	-35.5	0	0	0	110.7	Y38 Y211 K213	Y38-P183 HydrophobicContact CD1-CG 4.29Å; Y38-P183 VanDerWaalsContact CD1-O 3.3Å; Y38-P183 WeakPolarHBondContact CD1-O 3.22Å; Y38-P183 HydrophobicContact CE1-CG 4.15Å; P183-Y211 CarbonylContact C-O 3.57Å; P183-Y211 WeakPolarHBondContact CA-O 3.4Å; P183-K213 HydrophobicContact CB-CB 4.02Å; P183-K213 HydrophobicContact CG-CB 4.01Å; P183-K213 HydrophobicContact CG-CD 4.3Å
184	I	98.7	Very high	98.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	153	-171.5	69.9	78.4	0	0	0	111.5	P39 I41 I172 T175 L186 Y211 I212 K213	P39-I184 HydrophobicContact CB-CB 4.31Å; P39-I184 HydrophobicContact CB-CG2 3.71Å; P39-I184 HydrophobicContact CG-CG2 3.94Å; P39-I184 CarbonylContact O-C 3.32Å; P39-I184 WeakPolarHBondContact O-CA 3.32Å; I41-I184 HydrophobicContact CD1-CD1 4.44Å; I41-I184 HydrophobicContact CG1-CD1 4.31Å; I172-I184 HydrophobicContact CG1-CD1 4.16Å; I172-I184 HydrophobicContact CG1-CG1 4.38Å; I172-I184 HydrophobicContact CG2-CD1 4.3Å; I172-I184 HydrophobicContact CG2-CG1 3.8Å; T175-I184 HydrophobicContact CG2-CG2 3.89Å; I184-L186 HydrophobicContact CD1-CB 4.12Å; I184-Y211 PolarHBondContact N-O 3.01Å; I184-I212 HydrophobicContact CD1-CD1 3.85Å; I184-I212 HydrophobicContact CG1-CD1 4.28Å; I184-K213 PolarHBondContact O-N 3.21Å
185	Y	98.8	Very high	98.1	Very high	6 Å²	6	23.9 Å²	23.9	2%	0.024	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	133.7	160.7	-78.8	-87	0	0	0	110.3	Y38 P39 I40 I41 K213 G214 I216 Y322 L403 L404	Y38-Y185 AromaticContact CD2-CE2 3.98Å; Y38-Y185 HydrophobicContact CD2-CE2 3.98Å; Y38-Y185 HydrophobicContact CG-CD2 4.32Å; Y38-Y185 HydrophobicContact CG-CE2 4.01Å; P39-Y185 PolarHBondContact O-N 2.94Å; I40-Y185 VanDerWaalsContact CA-O 3.32Å; I40-Y185 WeakPolarHBondContact CA-O 3.5Å; I41-Y185 PolarHBondContact N-O 3.27Å; Y185-K213 HydrophobicContact CD2-CB 4.06Å; Y185-K213 HydrophobicContact CD2-CG 3.95Å; Y185-K213 HydrophobicContact CE1-CG 4.15Å; Y185-K213 HydrophobicContact CE2-CB 4.04Å; Y185-K213 HydrophobicContact CE2-CG 3.41Å; Y185-K213 VanDerWaalsContact CE2-CG 3.41Å; Y185-K213 HydrophobicContact CG-CB 4.43Å; Y185-G214 WeakPolarHBondContact CA-O 3.2Å; Y185-I216 HydrophobicContact CD1-CD1 3.73Å; Y185-I216 HydrophobicContact CD1-CG1 3.83Å; Y185-I216 HydrophobicContact CE1-CD1 4.37Å; Y185-I216 HydrophobicContact CE1-CG1 4.44Å; Y185-I216 HydrophobicContact CG-CD1 4.11Å; Y185-Y322 HydrophobicContact CE1-CD2 4.31Å; Y185-Y322 AromaticContact CE1-CE2 3.73Å; Y185-Y322 HydrophobicContact CE1-CE2 3.73Å; Y185-L403 VanDerWaalsContact CE2-O 3.23Å; Y185-L403 WeakPolarHBondContact CE2-O 3.44Å; Y185-L403 PolarHBondContact OH-O 3.13Å; Y185-L403 VanDerWaalsContact OH-O 3.11Å; Y185-L404 HydrophobicContact CD2-CD2 3.34Å; Y185-L404 HydrophobicContact CE2-CD2 3.98Å; Y185-L404 HydrophobicContact CG-CD2 3.81Å
186	L	98.9	Very high	98	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	117.6	169.5	-172	63.5	0	0	0	107.9	I41 I43 I184 F199 L200 G214 F215 I216	I41-L186 HydrophobicContact CB-CD1 3.99Å; I41-L186 HydrophobicContact CG2-CD1 4.18Å; I43-L186 HydrophobicContact CD1-CD1 3.89Å; I43-L186 HydrophobicContact CG1-CD1 3.68Å; I43-L186 HydrophobicContact CG1-CG 4.3Å; I184-L186 HydrophobicContact CD1-CB 4.12Å; L186-F199 HydrophobicContact CD2-CD1 4.27Å; L186-L200 HydrophobicContact CD2-CD1 4.09Å; L186-L200 HydrophobicContact CD2-CD2 4.35Å; L186-L200 HydrophobicContact CD2-CG 4.16Å; L186-G214 PolarHBondContact N-O 3.41Å; L186-F215 WeakPolarHBondContact O-CA 3.44Å; L186-F215 WeakPolarHBondContact O-CD2 3.08Å; L186-I216 PolarHBondContact O-N 3.03Å
187	L	98.9	Very high	98	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	116.1	177.9	-176.8	164.1	0	0	0	109.2	I40 I41 L42 I43 I131 I216 V218 F396 L400	I40-L187 HydrophobicContact CD1-CB 3.95Å; I40-L187 HydrophobicContact CD1-CD1 3.9Å; I40-L187 HydrophobicContact CG1-CB 4.32Å; I41-L187 PolarHBondContact O-N 3.22Å; L42-L187 HydrophobicContact CD2-CB 4.09Å; L42-L187 HydrophobicContact CD2-CD1 4.03Å; L42-L187 HydrophobicContact CD2-CD2 4.23Å; L42-L187 HydrophobicContact CD2-CG 4.36Å; I43-L187 PolarHBondContact N-O 2.63Å; I131-L187 HydrophobicContact CD1-CD1 4.46Å; L187-I216 CarbonylContact C-O 3.57Å; L187-I216 VanDerWaalsContact CA-O 3.31Å; L187-I216 WeakPolarHBondContact CA-O 3.49Å; L187-I216 HydrophobicContact CB-CB 4.22Å; L187-I216 HydrophobicContact CD1-CG2 4.39Å; L187-I216 HydrophobicContact CG-CB 4.21Å; L187-I216 HydrophobicContact CG-CG2 4.2Å; L187-V218 HydrophobicContact CD2-CG2 4.26Å; L187-V218 HydrophobicContact CG-CG2 4.26Å; L187-F396 HydrophobicContact CD1-CZ 3.99Å; L187-L400 HydrophobicContact CD1-CD1 3.94Å; L187-L400 HydrophobicContact CD1-CD2 3.98Å
188	G	98.8	Very high	97.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	139	168.9	0	0	0	0	0	110.6	S193 I216 V218	G188-S193 PolarHBondContact O-OG 3.14Å; G188-I216 PolarHBondContact N-O 3.41Å; G188-V218 WeakPolarHBondContact O-CB 3.31Å; G188-V218 PolarHBondContact O-N 3.19Å
189	H	98.8	Very high	98	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.009	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	134.2	165.7	177.9	-132.8	0	0	0	110.2	I43 H44 G45 Y127 M128 L191 G192 V218 H387 V391	I43-H189 PolarHBondContact O-N 3.44Å; H44-H189 CarbonylContact C-O 3.54Å; G45-H189 WeakPolarHBondContact CA-O 3.28Å; G45-H189 PolarHBondContact N-O 3.12Å; Y127-H189 AromaticContact CE2-CE1 3.78Å; Y127-H189 AromaticContact CE2-ND1 3.41Å; Y127-H189 WeakPolarHBondContact CE2-ND1 3.28Å; Y127-H189 AromaticContact CZ-ND1 3.35Å; Y127-H189 VanDerWaalsContact CZ-ND1 3.35Å; Y127-H189 PolarHBondContact OH-ND1 3.06Å; M128-H189 HydrophobicContact CE-CB 3.69Å; H189-L191 PolarHBondContact O-N 3.28Å; H189-G192 WeakPolarHBondContact O-CA 3.45Å; H189-G192 PolarHBondContact O-N 3.04Å; H189-V218 CarbonylContact C-O 3.57Å; H189-V218 WeakPolarHBondContact CA-O 3.34Å; H189-V218 PolarHBondContact CD2-O 3.46Å; H189-H387 PolarHBondContact CE1-O 3.07Å; H189-H387 PolarHBondContact NE2-O 3.2Å; H189-V391 HydrophobicContact CB-CG1 3.98Å
190	S	98.6	Very high	98.1	Very high	8 Å²	8	17.2 Å²	17.2	6%	0.056	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	-125.6	176.1	-174.4	0	0	0	0	111.4	G192 S193 V218 S219 H387	S190-G192 PolarHBondContact O-N 3.04Å; S190-G192 VanDerWaalsContact O-N 3.14Å; S190-S193 VanDerWaalsContact O-CB 3.3Å; S190-S193 WeakPolarHBondContact O-CB 3.09Å; S190-S193 PolarHBondContact O-N 3.4Å; S190-V218 PolarHBondContact N-O 3.4Å; S190-S219 WeakPolarHBondContact CA-O 3.49Å; S190-H387 WeakPolarHBondContact CB-NE2 3.31Å; S190-H387 PolarHBondContact OG-CE1 2.72Å; S190-H387 PolarHBondContact OG-NE2 3.28Å
191	L	98.4	Very high	98.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-52.7	-32.3	173.6	-179.4	60.7	0	0	0	113.1	I46 Y152 H189 S193 L194 Y195 A257 F260 L261	I46-L191 HydrophobicContact CB-CB 4.36Å; I46-L191 HydrophobicContact CB-CD2 3.91Å; I46-L191 HydrophobicContact CG1-CD2 4.39Å; Y152-L191 HydrophobicContact CE2-CD2 4.4Å; H189-L191 PolarHBondContact O-N 3.28Å; L191-S193 PolarHBondContact O-N 3.21Å; L191-L194 HydrophobicContact CD1-CD1 4.42Å; L191-L194 WeakPolarHBondContact O-CB 3.45Å; L191-L194 PolarHBondContact O-N 3.2Å; L191-Y195 HydrophobicContact CD1-CD2 4.06Å; L191-Y195 HydrophobicContact CD1-CE2 4.02Å; L191-Y195 HydrophobicContact CD2-CE2 4.17Å; L191-Y195 HydrophobicContact CG-CD2 3.93Å; L191-Y195 HydrophobicContact CG-CE2 3.94Å; L191-Y195 PolarHBondContact O-N 2.92Å; L191-A257 HydrophobicContact CD2-CB 3.98Å; L191-F260 HydrophobicContact CD1-CD1 3.77Å; L191-F260 HydrophobicContact CD1-CE1 3.8Å; L191-L261 HydrophobicContact CD1-CD1 4.39Å; L191-L261 HydrophobicContact CD1-CD2 4.07Å; L191-L261 HydrophobicContact CD1-CG 4.27Å
192	G	98.6	Very high	98.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61.8	-28.7	177.5	0	0	0	0	0	113.6	H44 H189 S190 Y195 S196	H44-G192 WeakPolarHBondContact O-CA 3.34Å; H44-G192 PolarHBondContact O-N 3.44Å; H189-G192 WeakPolarHBondContact O-CA 3.45Å; H189-G192 PolarHBondContact O-N 3.04Å; S190-G192 PolarHBondContact O-N 3.04Å; S190-G192 VanDerWaalsContact O-N 3.14Å; G192-Y195 PolarHBondContact O-N 2.97Å; G192-S196 WeakPolarHBondContact O-CB 3.37Å; G192-S196 PolarHBondContact O-N 3.48Å; G192-S196 PolarHBondContact O-OG 3.39Å
193	S	98.6	Very high	98.2	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-67.7	-39.5	172.4	-59.1	0	0	0	0	111.6	G188 S190 L191 S196 M197 F215 V218 A220	G188-S193 PolarHBondContact O-OG 3.14Å; S190-S193 VanDerWaalsContact O-CB 3.3Å; S190-S193 WeakPolarHBondContact O-CB 3.09Å; S190-S193 PolarHBondContact O-N 3.4Å; L191-S193 PolarHBondContact O-N 3.21Å; S193-S196 PolarHBondContact O-N 3.1Å; S193-M197 WeakPolarHBondContact O-CB 3.34Å; S193-M197 PolarHBondContact O-N 3.06Å; S193-F215 WeakPolarHBondContact O-CZ 3.4Å; S193-V218 PolarHBondContact OG-N 2.86Å; S193-V218 PolarHBondContact OG-O 2.67Å; S193-A220 VanDerWaalsContact CB-CB 3.43Å
194	L	98.4	Very high	98.1	Very high	5 Å²	5	15.7 Å²	15.7	3%	0.026	7%	0.074	C	C	.	.	H	α-helix	trans	-69.4	-37.1	176.7	-54	-171.9	0	0	0	111.4	L191 M197 Y198 A220 P221 F222 F260 L261 F310	L191-L194 HydrophobicContact CD1-CD1 4.42Å; L191-L194 WeakPolarHBondContact O-CB 3.45Å; L191-L194 PolarHBondContact O-N 3.2Å; L194-M197 PolarHBondContact O-N 3.25Å; L194-Y198 WeakPolarHBondContact O-CB 3.24Å; L194-Y198 PolarHBondContact O-N 2.67Å; L194-A220 HydrophobicContact CD2-CB 4.49Å; L194-P221 HydrophobicContact CD1-CG 4.07Å; L194-F222 HydrophobicContact CD2-CD1 3.82Å; L194-F222 HydrophobicContact CD2-CE1 4.33Å; L194-F260 HydrophobicContact CB-CE1 3.98Å; L194-F260 HydrophobicContact CB-CZ 4.23Å; L194-F260 HydrophobicContact CD1-CD1 4.49Å; L194-F260 HydrophobicContact CD1-CE1 3.67Å; L194-F260 HydrophobicContact CD1-CZ 4Å; L194-L261 HydrophobicContact CD1-CD2 3.93Å; L194-F310 HydrophobicContact CB-CE1 4.23Å; L194-F310 HydrophobicContact CB-CZ 4.06Å; L194-F310 HydrophobicContact CD1-CZ 4.43Å; L194-F310 HydrophobicContact CD2-CZ 3.99Å; L194-F310 HydrophobicContact CG-CZ 4.37Å
195	Y	98.5	Very high	98.1	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.7	-46.3	171	-93.9	-106.9	0	0	0	112.1	Y152 K156 A157 P158 N161 Y164 F165 L191 G192 M197 Y198 F199	Y152-Y195 HydrophobicContact CD2-CD1 4.01Å; Y152-Y195 AromaticContact CD2-CE1 3.55Å; Y152-Y195 HydrophobicContact CD2-CE1 3.55Å; Y152-Y195 HydrophobicContact CD2-CE2 4.17Å; Y152-Y195 AromaticContact CD2-CZ 3.63Å; Y152-Y195 HydrophobicContact CE2-CD1 4.03Å; Y152-Y195 AromaticContact CE2-CD2 3.83Å; Y152-Y195 HydrophobicContact CE2-CD2 3.83Å; Y152-Y195 AromaticContact CE2-CE1 3.76Å; Y152-Y195 HydrophobicContact CE2-CE1 3.76Å; Y152-Y195 AromaticContact CE2-CE2 3.52Å; Y152-Y195 HydrophobicContact CE2-CE2 3.52Å; Y152-Y195 HydrophobicContact CE2-CG 4.07Å; Y152-Y195 AromaticContact CE2-CZ 3.49Å; Y152-Y195 VanDerWaalsContact CE2-CZ 3.49Å; Y152-Y195 HydrophobicContact CG-CD1 4.39Å; Y152-Y195 HydrophobicContact CG-CE1 4.23Å; K156-Y195 PolarHBondContact O-OH 2.95Å; A157-Y195 PolarHBondContact O-OH 2.84Å; P158-Y195 HydrophobicContact CG-CD2 3.89Å; P158-Y195 HydrophobicContact CG-CE1 4.43Å; P158-Y195 HydrophobicContact CG-CE2 3.76Å; P158-Y195 HydrophobicContact CG-CG 4.3Å; N161-Y195 HydrophobicContact CB-CE1 3.91Å; N161-Y195 PolarHBondContact ND2-OH 2.92Å; Y164-Y195 HydrophobicContact CD1-CD1 4.15Å; Y164-Y195 HydrophobicContact CD1-CE1 4.39Å; Y164-Y195 AromaticContact CE1-CD1 3.83Å; Y164-Y195 HydrophobicContact CE1-CD1 3.83Å; Y164-Y195 HydrophobicContact CE1-CE1 4.48Å; F165-Y195 AromaticContact CE1-CD1 3.87Å; F165-Y195 HydrophobicContact CE1-CD1 3.87Å; F165-Y195 HydrophobicContact CE2-CD1 4.46Å; F165-Y195 HydrophobicContact CE2-CE1 4.44Å; F165-Y195 AromaticContact CZ-CD1 3.44Å; F165-Y195 HydrophobicContact CZ-CD1 3.44Å; F165-Y195 VanDerWaalsContact CZ-CD1 3.44Å; F165-Y195 AromaticContact CZ-CE1 3.8Å; F165-Y195 HydrophobicContact CZ-CE1 3.8Å; F165-Y195 HydrophobicContact CZ-CG 4.31Å; L191-Y195 HydrophobicContact CD1-CD2 4.06Å; L191-Y195 HydrophobicContact CD1-CE2 4.02Å; L191-Y195 HydrophobicContact CD2-CE2 4.17Å; L191-Y195 HydrophobicContact CG-CD2 3.93Å; L191-Y195 HydrophobicContact CG-CE2 3.94Å; L191-Y195 PolarHBondContact O-N 2.92Å; G192-Y195 PolarHBondContact O-N 2.97Å; Y195-M197 VanDerWaalsContact C-N 3.33Å; Y195-M197 PolarHBondContact O-N 2.65Å; Y195-Y198 PolarHBondContact O-N 3.46Å; Y195-F199 WeakPolarHBondContact O-CB 3.11Å; Y195-F199 PolarHBondContact O-N 3.39Å
196	S	98.5	Very high	98	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.7	-44.5	176.2	-60.4	0	0	0	0	111.1	G192 S193 F199 L200	G192-S196 WeakPolarHBondContact O-CB 3.37Å; G192-S196 PolarHBondContact O-N 3.48Å; G192-S196 PolarHBondContact O-OG 3.39Å; S193-S196 PolarHBondContact O-N 3.1Å; S196-F199 PolarHBondContact O-N 3.23Å; S196-L200 WeakPolarHBondContact O-CB 3.39Å; S196-L200 WeakPolarHBondContact O-CD1 3.12Å; S196-L200 WeakPolarHBondContact O-CG 3.21Å; S196-L200 PolarHBondContact O-N 2.8Å
197	M	97.4	Very high	98	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.9	-47	178.3	-164.5	172.7	92.5	0	0	111.9	S193 L194 Y195 F199 L200 K201 F215 F222 F310 P316 W374	S193-M197 WeakPolarHBondContact O-CB 3.34Å; S193-M197 PolarHBondContact O-N 3.06Å; L194-M197 PolarHBondContact O-N 3.25Å; Y195-M197 VanDerWaalsContact C-N 3.33Å; Y195-M197 PolarHBondContact O-N 2.65Å; M197-F199 VanDerWaalsContact C-N 3.33Å; M197-F199 PolarHBondContact O-N 2.86Å; M197-L200 PolarHBondContact O-N 2.79Å; M197-K201 WeakPolarHBondContact O-CB 3.39Å; M197-K201 WeakPolarHBondContact O-CG 3.45Å; M197-K201 PolarHBondContact O-N 2.64Å; M197-F215 HydrophobicContact CB-CE1 4.34Å; M197-F222 HydrophobicContact SD-CD1 4.23Å; M197-F222 HydrophobicContact SD-CE1 3.94Å; M197-F310 HydrophobicContact CE-CB 4.12Å; M197-F310 HydrophobicContact CE-CD1 3.83Å; M197-F310 HydrophobicContact CE-CD2 3.02Å; M197-F310 HydrophobicContact CE-CE1 3.96Å; M197-F310 HydrophobicContact CE-CE2 3.19Å; M197-F310 HydrophobicContact CE-CG 3.39Å; M197-F310 HydrophobicContact CE-CZ 3.67Å; M197-P316 HydrophobicContact CG-CG 3.79Å; M197-W374 HydrophobicContact SD-CH2 4.37Å; M197-W374 HydrophobicContact SD-CZ2 4.1Å
198	Y	97.6	Very high	98	Very high	41 Å²	41	26.8 Å²	26.8	16%	0.161	13%	0.133	C	C	.	.	H	α-helix	trans	-58.3	-44.4	175.3	174.8	-102.2	0	0	0	111.9	P158 F165 L194 Y195 Q202 V309	P158-Y198 HydrophobicContact CB-CD1 3.52Å; P158-Y198 HydrophobicContact CB-CD2 4.21Å; P158-Y198 HydrophobicContact CB-CE1 3.83Å; P158-Y198 HydrophobicContact CB-CG 3.69Å; P158-Y198 HydrophobicContact CG-CG 4.44Å; F165-Y198 HydrophobicContact CD1-CD1 4.43Å; F165-Y198 HydrophobicContact CD2-CD1 4.12Å; F165-Y198 AromaticContact CD2-CE1 3.74Å; F165-Y198 HydrophobicContact CD2-CE1 3.74Å; F165-Y198 AromaticContact CE1-CD1 3.84Å; F165-Y198 HydrophobicContact CE1-CD1 3.84Å; F165-Y198 HydrophobicContact CE1-CE1 4.44Å; F165-Y198 AromaticContact CE2-CD1 3.52Å; F165-Y198 HydrophobicContact CE2-CD1 3.52Å; F165-Y198 AromaticContact CE2-CE1 3.37Å; F165-Y198 HydrophobicContact CE2-CE1 3.37Å; F165-Y198 HydrophobicContact CG-CE1 4.45Å; F165-Y198 AromaticContact CZ-CD1 3.36Å; F165-Y198 HydrophobicContact CZ-CD1 3.36Å; F165-Y198 AromaticContact CZ-CE1 3.77Å; F165-Y198 HydrophobicContact CZ-CE1 3.77Å; F165-Y198 HydrophobicContact CZ-CG 4.5Å; L194-Y198 WeakPolarHBondContact O-CB 3.24Å; L194-Y198 PolarHBondContact O-N 2.67Å; Y195-Y198 PolarHBondContact O-N 3.46Å; Y198-Q202 PolarHBondContact O-NE2 3.3Å; Y198-V309 HydrophobicContact CD2-CB 3.77Å; Y198-V309 HydrophobicContact CD2-CG2 3.99Å; Y198-V309 HydrophobicContact CE2-CB 3.72Å; Y198-V309 HydrophobicContact CE2-CG1 4.24Å; Y198-V309 HydrophobicContact CE2-CG2 4.41Å
199	F	98.2	Very high	98	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-61.6	-51.4	177.4	172.7	-106.7	0	0	0	112.2	F165 L168 K169 I172 L186 Y195 S196 M197 K201 Q202 Q203 W207	F165-F199 HydrophobicContact CB-CD2 4.12Å; F165-F199 HydrophobicContact CD1-CB 3.71Å; F165-F199 AromaticContact CD1-CD2 3.81Å; F165-F199 HydrophobicContact CD1-CD2 3.81Å; F165-F199 HydrophobicContact CD1-CG 4.15Å; F165-F199 HydrophobicContact CE1-CB 3.9Å; F165-F199 HydrophobicContact CG-CD2 4.38Å; L168-F199 HydrophobicContact CD2-CB 4.19Å; L168-F199 HydrophobicContact CD2-CD1 3.93Å; L168-F199 HydrophobicContact CD2-CD2 4.02Å; L168-F199 HydrophobicContact CD2-CE1 4.35Å; L168-F199 HydrophobicContact CD2-CE2 4.41Å; L168-F199 HydrophobicContact CD2-CG 3.76Å; L168-F199 HydrophobicContact CG-CE1 4.48Å; L168-F199 HydrophobicContact CG-CE2 4.46Å; L168-F199 HydrophobicContact CG-CZ 4.43Å; K169-F199 HydrophobicContact CB-CE2 4.04Å; K169-F199 HydrophobicContact CB-CZ 4.07Å; K169-F199 HydrophobicContact CG-CZ 4.46Å; I172-F199 HydrophobicContact CD1-CD1 4.35Å; I172-F199 HydrophobicContact CD1-CE1 3.44Å; I172-F199 VanDerWaalsContact CD1-CE1 3.44Å; I172-F199 HydrophobicContact CD1-CZ 3.84Å; L186-F199 HydrophobicContact CD2-CD1 4.27Å; Y195-F199 WeakPolarHBondContact O-CB 3.11Å; Y195-F199 PolarHBondContact O-N 3.39Å; S196-F199 PolarHBondContact O-N 3.23Å; M197-F199 VanDerWaalsContact C-N 3.33Å; M197-F199 PolarHBondContact O-N 2.86Å; F199-K201 VanDerWaalsContact C-N 3.34Å; F199-K201 PolarHBondContact O-N 2.89Å; F199-Q202 PolarHBondContact O-N 3.43Å; F199-Q202 VanDerWaalsContact O-N 3.12Å; F199-Q203 HydrophobicContact CD1-CG 4.45Å; F199-Q203 HydrophobicContact CE1-CG 3.97Å; F199-Q203 HydrophobicContact CE2-CG 4.17Å; F199-Q203 HydrophobicContact CZ-CG 3.82Å; F199-Q203 WeakPolarHBondContact O-CG 3.5Å; F199-Q203 PolarHBondContact O-N 2.83Å; F199-Q203 PolarHBondContact O-NE2 2.74Å; F199-Q203 VanDerWaalsContact O-NE2 3.12Å; F199-W207 AromaticContact CE1-CH2 3.82Å; F199-W207 HydrophobicContact CE1-CH2 3.82Å; F199-W207 HydrophobicContact CE1-CZ3 4Å; F199-W207 AromaticContact CZ-CH2 3.73Å; F199-W207 HydrophobicContact CZ-CH2 3.73Å; F199-W207 HydrophobicContact CZ-CZ2 4.41Å; F199-W207 HydrophobicContact CZ-CZ3 4.14Å
200	L	98.1	Very high	98	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.8	-33.6	-174.6	-69.9	166.6	0	0	0	112.5	L186 S196 M197 Q202 Q203 I212 F215 P316 I319	L186-L200 HydrophobicContact CD2-CD1 4.09Å; L186-L200 HydrophobicContact CD2-CD2 4.35Å; L186-L200 HydrophobicContact CD2-CG 4.16Å; S196-L200 WeakPolarHBondContact O-CB 3.39Å; S196-L200 WeakPolarHBondContact O-CD1 3.12Å; S196-L200 WeakPolarHBondContact O-CG 3.21Å; S196-L200 PolarHBondContact O-N 2.8Å; M197-L200 PolarHBondContact O-N 2.79Å; L200-Q202 PolarHBondContact O-N 3.16Å; L200-Q203 PolarHBondContact O-N 3.4Å; L200-I212 HydrophobicContact CD2-CD1 4.2Å; L200-I212 HydrophobicContact CD2-CG1 4Å; L200-I212 HydrophobicContact CD2-CG2 4.31Å; L200-F215 HydrophobicContact CD1-CB 3.65Å; L200-F215 HydrophobicContact CD1-CD1 4.02Å; L200-F215 HydrophobicContact CD1-CD2 4.1Å; L200-F215 HydrophobicContact CD1-CG 3.65Å; L200-P316 HydrophobicContact CB-CB 4.04Å; L200-P316 HydrophobicContact CB-CG 4.19Å; L200-P316 HydrophobicContact CD1-CG 4.49Å; L200-I319 HydrophobicContact CB-CD1 4.38Å; L200-I319 HydrophobicContact CD1-CD1 3.73Å; L200-I319 HydrophobicContact CD2-CD1 4.13Å; L200-I319 HydrophobicContact CG-CD1 4.3Å
201	K	96.4	Very high	98	Very high	61 Å²	61	41.8 Å²	41.8	27%	0.265	19%	0.193	S	C	.	.	H	α-helix	trans	-65.9	-21.2	174.4	-77.1	-171.6	172.7	-164.9	0	113.5	M197 F199 F310 D311 E314 P316	M197-K201 WeakPolarHBondContact O-CB 3.39Å; M197-K201 WeakPolarHBondContact O-CG 3.45Å; M197-K201 PolarHBondContact O-N 2.64Å; F199-K201 VanDerWaalsContact C-N 3.34Å; F199-K201 PolarHBondContact O-N 2.89Å; K201-F310 HydrophobicContact CD-CB 4.01Å; K201-D311 PolarHBondContact NZ-O 3.19Å; K201-E314 WeakPolarHBondContact CE-O 3.47Å; K201-E314 PolarHBondContact NZ-O 2.88Å; K201-E314 IonicContact NZ-OE2 2.72Å; K201-E314 PolarHBondContact NZ-OE2 2.82Å; K201-P316 HydrophobicContact CG-CG 4.48Å
202	Q	95.8	Very high	98	Very high	105 Å²	105	42.2 Å²	42.2	49%	0.491	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-9.1	177.8	-71.2	171.9	88.2	0	0	113.8	Y198 F199 L200	Y198-Q202 PolarHBondContact O-NE2 3.3Å; F199-Q202 PolarHBondContact O-N 3.43Å; F199-Q202 VanDerWaalsContact O-N 3.12Å; L200-Q202 PolarHBondContact O-N 3.16Å
203	Q	97.7	Very high	98	Very high	25 Å²	25	45.1 Å²	45.1	12%	0.117	21%	0.208	C	C	.	.	S	Bend	trans	-88.7	142.5	-179.8	-55.8	-41.3	-60.8	0	0	111.1	F199 L200 W207 K208	F199-Q203 HydrophobicContact CD1-CG 4.45Å; F199-Q203 HydrophobicContact CE1-CG 3.97Å; F199-Q203 HydrophobicContact CE2-CG 4.17Å; F199-Q203 HydrophobicContact CZ-CG 3.82Å; F199-Q203 WeakPolarHBondContact O-CG 3.5Å; F199-Q203 PolarHBondContact O-N 2.83Å; F199-Q203 PolarHBondContact O-NE2 2.74Å; F199-Q203 VanDerWaalsContact O-NE2 3.12Å; L200-Q203 PolarHBondContact O-N 3.4Å; Q203-W207 HydrophobicContact CB-CD2 4.48Å; Q203-W207 HydrophobicContact CB-CE3 3.73Å; Q203-W207 HydrophobicContact CB-CZ3 4.2Å; Q203-W207 HydrophobicContact CG-CD2 4.49Å; Q203-W207 HydrophobicContact CG-CE3 3.74Å; Q203-W207 HydrophobicContact CG-CZ3 3.77Å; Q203-K208 HydrophobicContact CB-CD 4.26Å; Q203-K208 HydrophobicContact CB-CG 3.84Å; Q203-K208 WeakPolarHBondContact O-CE 3.43Å
204	D	97.2	Very high	97.9	Very high	75 Å²	75	45.1 Å²	45.1	40%	0.401	21%	0.208	S	C	.	.			trans	-69	158.7	175.1	70	87.9	0	0	0	111.7	S206 W207 K208	D204-S206 VanDerWaalsContact C-N 3.32Å; D204-S206 PolarHBondContact O-N 3.15Å; D204-S206 WeakPolarHBondContact OD1-CA 3.49Å; D204-S206 WeakPolarHBondContact OD1-CB 3.15Å; D204-S206 PolarHBondContact OD1-N 3.44Å; D204-S206 PolarHBondContact OD1-OG 3.24Å; D204-W207 PolarHBondContact O-N 2.87Å; D204-W207 PolarHBondContact OD1-N 3.41Å; D204-W207 VanDerWaalsContact OD2-CB 3.28Å; D204-W207 WeakPolarHBondContact OD2-CB 3.12Å; D204-K208 WeakPolarHBondContact O-CG 3.41Å; D204-K208 PolarHBondContact O-N 3.47Å
205	K	97.7	Very high	98	Very high	132 Å²	132	44.9 Å²	44.9	57%	0.574	21%	0.206	S	C	*	.	H	α-helix	trans	-58.4	-41.6	-178.3	177.8	171.9	-175.6	138.6	0	112.8	K208 Y209 D318	K205-K208 PolarHBondContact O-N 3.16Å; K205-Y209 WeakPolarHBondContact O-CB 3.43Å; K205-Y209 PolarHBondContact O-N 2.96Å; K205-D318 HydrophobicContact CD-CB 4.46Å; K205-D318 WeakPolarHBondContact CD-OD1 2.99Å; K205-D318 VanDerWaalsContact CE-OD1 3.25Å; K205-D318 WeakPolarHBondContact CE-OD1 3.39Å; K205-D318 HydrophobicContact CG-CB 4.01Å; K205-D318 IonicContact NZ-OD1 2.71Å; K205-D318 PolarHBondContact NZ-OD1 3.26Å
206	S	98.1	Very high	98	Very high	88 Å²	88	44.9 Å²	44.9	62%	0.615	21%	0.206	S	C	*	.	H	α-helix	trans	-68.8	-39.9	-175.3	74.1	0	0	0	0	111.7	D204 Y209 K210	D204-S206 VanDerWaalsContact C-N 3.32Å; D204-S206 PolarHBondContact O-N 3.15Å; D204-S206 WeakPolarHBondContact OD1-CA 3.49Å; D204-S206 WeakPolarHBondContact OD1-CB 3.15Å; D204-S206 PolarHBondContact OD1-N 3.44Å; D204-S206 PolarHBondContact OD1-OG 3.24Å; S206-Y209 PolarHBondContact O-N 2.98Å; S206-K210 PolarHBondContact O-N 3.34Å; S206-K210 VanDerWaalsContact O-N 3.13Å
207	W	98.6	Very high	98	Very high	16 Å²	16	44.9 Å²	44.9	6%	0.061	21%	0.206	C	C	.	.	H	α-helix	trans	-64.7	-47.9	174.7	-172.8	93.7	0	0	0	110.8	K169 I172 E173 F199 Q203 D204 Y209 K210 Y211 I212	K169-W207 VanDerWaalsContact CE-CD1 3.43Å; K169-W207 HydrophobicContact CG-CH2 4.5Å; K169-W207 HydrophobicContact CG-CZ2 3.65Å; I172-W207 HydrophobicContact CB-CH2 4.05Å; I172-W207 HydrophobicContact CB-CZ2 4.13Å; I172-W207 HydrophobicContact CD1-CH2 3.81Å; I172-W207 HydrophobicContact CG2-CH2 3.55Å; I172-W207 HydrophobicContact CG2-CZ2 3.72Å; E173-W207 HydrophobicContact CG-CZ2 4.34Å; E173-W207 PolarHBondContact OE1-NE1 3.04Å; F199-W207 AromaticContact CE1-CH2 3.82Å; F199-W207 HydrophobicContact CE1-CH2 3.82Å; F199-W207 HydrophobicContact CE1-CZ3 4Å; F199-W207 AromaticContact CZ-CH2 3.73Å; F199-W207 HydrophobicContact CZ-CH2 3.73Å; F199-W207 HydrophobicContact CZ-CZ2 4.41Å; F199-W207 HydrophobicContact CZ-CZ3 4.14Å; Q203-W207 HydrophobicContact CB-CD2 4.48Å; Q203-W207 HydrophobicContact CB-CE3 3.73Å; Q203-W207 HydrophobicContact CB-CZ3 4.2Å; Q203-W207 HydrophobicContact CG-CD2 4.49Å; Q203-W207 HydrophobicContact CG-CE3 3.74Å; Q203-W207 HydrophobicContact CG-CZ3 3.77Å; D204-W207 PolarHBondContact O-N 2.87Å; D204-W207 PolarHBondContact OD1-N 3.41Å; D204-W207 VanDerWaalsContact OD2-CB 3.28Å; D204-W207 WeakPolarHBondContact OD2-CB 3.12Å; W207-Y209 PolarHBondContact O-N 3.42Å; W207-K210 PolarHBondContact O-N 3.3Å; W207-Y211 AromaticContact CD1-CD2 3.46Å; W207-Y211 VanDerWaalsContact CD1-CD2 3.46Å; W207-Y211 AromaticContact CD1-CE2 3.53Å; W207-Y211 AromaticContact CD2-CD2 3.78Å; W207-Y211 HydrophobicContact CD2-CD2 3.78Å; W207-Y211 HydrophobicContact CD2-CG 4.48Å; W207-Y211 AromaticContact CE2-CD2 3.5Å; W207-Y211 VanDerWaalsContact CE2-CD2 3.5Å; W207-Y211 AromaticContact CG-CD2 3.74Å; W207-Y211 HydrophobicContact CG-CD2 3.74Å; W207-Y211 HydrophobicContact CG-CE2 4.21Å; W207-Y211 HydrophobicContact CZ2-CD2 4.15Å; W207-Y211 HydrophobicContact CZ2-CG 4.24Å; W207-Y211 AromaticContact NE1-CD2 3.28Å; W207-Y211 VanDerWaalsContact NE1-CD2 3.28Å; W207-Y211 AromaticContact NE1-CE2 3.48Å; W207-Y211 VanDerWaalsContact O-CD2 3.28Å; W207-Y211 WeakPolarHBondContact O-CD2 3.45Å; W207-Y211 PolarHBondContact O-N 3.22Å; W207-I212 HydrophobicContact CE3-CG1 4.36Å; W207-I212 HydrophobicContact CH2-CD1 4.01Å; W207-I212 HydrophobicContact CH2-CG1 4.29Å; W207-I212 HydrophobicContact CZ3-CD1 3.83Å; W207-I212 HydrophobicContact CZ3-CG1 3.63Å
208	K	98.5	Very high	98.1	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.017	21%	0.206	C	C	.	.	H	α-helix	trans	-58.8	-45.8	177.1	-73.7	-175.7	-62.9	-175.8	0	111.9	Q203 D204 K205 K210 Y211 I212 T317 D318 I319	Q203-K208 HydrophobicContact CB-CD 4.26Å; Q203-K208 HydrophobicContact CB-CG 3.84Å; Q203-K208 WeakPolarHBondContact O-CE 3.43Å; D204-K208 WeakPolarHBondContact O-CG 3.41Å; D204-K208 PolarHBondContact O-N 3.47Å; K205-K208 PolarHBondContact O-N 3.16Å; K208-K210 VanDerWaalsContact C-N 3.29Å; K208-K210 PolarHBondContact O-N 3.31Å; K208-Y211 PolarHBondContact O-N 3.31Å; K208-I212 WeakPolarHBondContact O-CA 3.4Å; K208-I212 WeakPolarHBondContact O-CB 3.24Å; K208-I212 PolarHBondContact O-N 2.73Å; K208-T317 WeakPolarHBondContact CE-O 3.39Å; K208-T317 PolarHBondContact NZ-O 2.99Å; K208-T317 PolarHBondContact NZ-OG1 3.25Å; K208-D318 IonicContact NZ-OD2 3.2Å; K208-I319 HydrophobicContact CB-CG2 3.74Å; K208-I319 HydrophobicContact CD-CG2 3.98Å; K208-I319 HydrophobicContact CG-CG2 4.2Å
209	Y	97.9	Very high	98.1	Very high	200 Å²	200	43 Å²	43	78%	0.784	20%	0.199	S	C	*	.	H	α-helix	trans	-59.1	-38.6	178.6	-177.8	-97.7	0	0	0	112.9	K205 S206 W207	K205-Y209 WeakPolarHBondContact O-CB 3.43Å; K205-Y209 PolarHBondContact O-N 2.96Å; S206-Y209 PolarHBondContact O-N 2.98Å; W207-Y209 PolarHBondContact O-N 3.42Å
210	K	98.5	Very high	98.1	Very high	95 Å²	95	43 Å²	43	41%	0.413	20%	0.199	S	C	.	.	H	α-helix	trans	-75.5	-43	179.5	-178.1	174.6	175.8	-166.9	0	112.9	Y176 S206 W207 K208	Y176-K210 WeakPolarHBondContact CE2-O 3.41Å; S206-K210 PolarHBondContact O-N 3.34Å; S206-K210 VanDerWaalsContact O-N 3.13Å; W207-K210 PolarHBondContact O-N 3.3Å; K208-K210 VanDerWaalsContact C-N 3.29Å; K208-K210 PolarHBondContact O-N 3.31Å
211	Y	98.8	Very high	98.1	Very high	29 Å²	29	43.1 Å²	43.1	11%	0.114	20%	0.2	C	C	.	.	H	α-helix	trans	-107	-21.9	-164.5	-66.5	-71.6	0	0	0	114.7	E173 Y176 P183 I184 W207 K208	E173-Y211 HydrophobicContact CB-CE1 4.15Å; E173-Y211 HydrophobicContact CG-CD1 4.15Å; E173-Y211 HydrophobicContact CG-CD2 4.49Å; E173-Y211 HydrophobicContact CG-CE1 3.79Å; E173-Y211 HydrophobicContact CG-CE2 4.17Å; E173-Y211 HydrophobicContact CG-CG 4.49Å; Y176-Y211 HydrophobicContact CD1-CD1 4.09Å; Y176-Y211 AromaticContact CD1-CE1 3.77Å; Y176-Y211 HydrophobicContact CD1-CE1 3.77Å; Y176-Y211 HydrophobicContact CD2-CD1 4.01Å; Y176-Y211 HydrophobicContact CD2-CE1 4.46Å; Y176-Y211 HydrophobicContact CE1-CE1 4.28Å; Y176-Y211 AromaticContact CG-CD1 3.69Å; Y176-Y211 HydrophobicContact CG-CD1 3.69Å; Y176-Y211 AromaticContact CG-CE1 3.88Å; Y176-Y211 HydrophobicContact CG-CE1 3.88Å; P183-Y211 CarbonylContact C-O 3.57Å; P183-Y211 WeakPolarHBondContact CA-O 3.4Å; I184-Y211 PolarHBondContact N-O 3.01Å; W207-Y211 AromaticContact CD1-CD2 3.46Å; W207-Y211 VanDerWaalsContact CD1-CD2 3.46Å; W207-Y211 AromaticContact CD1-CE2 3.53Å; W207-Y211 AromaticContact CD2-CD2 3.78Å; W207-Y211 HydrophobicContact CD2-CD2 3.78Å; W207-Y211 HydrophobicContact CD2-CG 4.48Å; W207-Y211 AromaticContact CE2-CD2 3.5Å; W207-Y211 VanDerWaalsContact CE2-CD2 3.5Å; W207-Y211 AromaticContact CG-CD2 3.74Å; W207-Y211 HydrophobicContact CG-CD2 3.74Å; W207-Y211 HydrophobicContact CG-CE2 4.21Å; W207-Y211 HydrophobicContact CZ2-CD2 4.15Å; W207-Y211 HydrophobicContact CZ2-CG 4.24Å; W207-Y211 AromaticContact NE1-CD2 3.28Å; W207-Y211 VanDerWaalsContact NE1-CD2 3.28Å; W207-Y211 AromaticContact NE1-CE2 3.48Å; W207-Y211 VanDerWaalsContact O-CD2 3.28Å; W207-Y211 WeakPolarHBondContact O-CD2 3.45Å; W207-Y211 PolarHBondContact O-N 3.22Å; K208-Y211 PolarHBondContact O-N 3.31Å
212	I	98.7	Very high	98.2	Very high	9 Å²	9	40.4 Å²	40.4	5%	0.046	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	116.7	-172.6	-54.7	-60.8	0	0	0	110.3	I172 I184 L200 W207 K208 I319	I172-I212 HydrophobicContact CD1-CD1 4.23Å; I172-I212 HydrophobicContact CG2-CD1 4.01Å; I184-I212 HydrophobicContact CD1-CD1 3.85Å; I184-I212 HydrophobicContact CG1-CD1 4.28Å; L200-I212 HydrophobicContact CD2-CD1 4.2Å; L200-I212 HydrophobicContact CD2-CG1 4Å; L200-I212 HydrophobicContact CD2-CG2 4.31Å; W207-I212 HydrophobicContact CE3-CG1 4.36Å; W207-I212 HydrophobicContact CH2-CD1 4.01Å; W207-I212 HydrophobicContact CH2-CG1 4.29Å; W207-I212 HydrophobicContact CZ3-CD1 3.83Å; W207-I212 HydrophobicContact CZ3-CG1 3.63Å; K208-I212 WeakPolarHBondContact O-CA 3.4Å; K208-I212 WeakPolarHBondContact O-CB 3.24Å; K208-I212 PolarHBondContact O-N 2.73Å; I212-I319 HydrophobicContact CB-CG2 4.18Å; I212-I319 HydrophobicContact CG2-CB 4.42Å; I212-I319 HydrophobicContact CG2-CD1 4.32Å; I212-I319 HydrophobicContact CG2-CG2 3.97Å
213	K	98.2	Very high	98.3	Very high	62 Å²	62	35.4 Å²	35.4	27%	0.27	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	-41.5	173.6	-179.8	56.3	-178	173.2	0	110.4	Y38 P183 I184 Y185	Y38-K213 HydrophobicContact CD1-CB 4.14Å; Y38-K213 HydrophobicContact CD1-CD 4.14Å; Y38-K213 HydrophobicContact CD1-CG 3.82Å; Y38-K213 HydrophobicContact CD2-CG 4.42Å; Y38-K213 HydrophobicContact CE1-CD 3.7Å; Y38-K213 HydrophobicContact CE1-CG 3.91Å; Y38-K213 HydrophobicContact CG-CG 4.06Å; P183-K213 HydrophobicContact CB-CB 4.02Å; P183-K213 HydrophobicContact CG-CB 4.01Å; P183-K213 HydrophobicContact CG-CD 4.3Å; I184-K213 PolarHBondContact O-N 3.21Å; Y185-K213 HydrophobicContact CD2-CB 4.06Å; Y185-K213 HydrophobicContact CD2-CG 3.95Å; Y185-K213 HydrophobicContact CE1-CG 4.15Å; Y185-K213 HydrophobicContact CE2-CB 4.04Å; Y185-K213 HydrophobicContact CE2-CG 3.41Å; Y185-K213 VanDerWaalsContact CE2-CG 3.41Å; Y185-K213 HydrophobicContact CG-CB 4.43Å
214	G	98.2	Very high	98.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.8	164.3	177.3	0	0	0	0	0	112.5	Y185 L186 D320	Y185-G214 WeakPolarHBondContact CA-O 3.2Å; L186-G214 PolarHBondContact N-O 3.41Å; G214-D320 CarbonylContact C-O 3.57Å; G214-D320 WeakPolarHBondContact CA-O 3.35Å
215	F	98.7	Very high	98.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.7	174.4	169.4	-140.8	0	0	0	110.1	L186 S193 M197 L200 P316 I319 D320 V321 Y322	L186-F215 WeakPolarHBondContact O-CA 3.44Å; L186-F215 WeakPolarHBondContact O-CD2 3.08Å; S193-F215 WeakPolarHBondContact O-CZ 3.4Å; M197-F215 HydrophobicContact CB-CE1 4.34Å; L200-F215 HydrophobicContact CD1-CB 3.65Å; L200-F215 HydrophobicContact CD1-CD1 4.02Å; L200-F215 HydrophobicContact CD1-CD2 4.1Å; L200-F215 HydrophobicContact CD1-CG 3.65Å; F215-P316 HydrophobicContact CD1-CG 4.22Å; F215-I319 HydrophobicContact CB-CD1 3.95Å; F215-D320 PolarHBondContact N-O 2.74Å; F215-V321 HydrophobicContact CB-CG2 4.28Å; F215-V321 HydrophobicContact CD1-CG1 3.74Å; F215-V321 HydrophobicContact CD1-CG2 4.1Å; F215-V321 HydrophobicContact CE1-CG1 4.31Å; F215-V321 HydrophobicContact CG-CG1 4.48Å; F215-V321 CarbonylContact O-C 3.38Å; F215-V321 WeakPolarHBondContact O-CA 3.33Å; F215-Y322 PolarHBondContact O-N 3.04Å
216	I	98.8	Very high	98.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	104.4	176.7	-54.3	173.6	0	0	0	108	Y185 L186 L187 G188 V218 Y322 I324 L400 L403	Y185-I216 HydrophobicContact CD1-CD1 3.73Å; Y185-I216 HydrophobicContact CD1-CG1 3.83Å; Y185-I216 HydrophobicContact CE1-CD1 4.37Å; Y185-I216 HydrophobicContact CE1-CG1 4.44Å; Y185-I216 HydrophobicContact CG-CD1 4.11Å; L186-I216 PolarHBondContact O-N 3.03Å; L187-I216 CarbonylContact C-O 3.57Å; L187-I216 VanDerWaalsContact CA-O 3.31Å; L187-I216 WeakPolarHBondContact CA-O 3.49Å; L187-I216 HydrophobicContact CB-CB 4.22Å; L187-I216 HydrophobicContact CD1-CG2 4.39Å; L187-I216 HydrophobicContact CG-CB 4.21Å; L187-I216 HydrophobicContact CG-CG2 4.2Å; G188-I216 PolarHBondContact N-O 3.41Å; I216-V218 HydrophobicContact CG2-CG2 3.99Å; I216-Y322 HydrophobicContact CG1-CD2 4.2Å; I216-I324 HydrophobicContact CG2-CD1 3.56Å; I216-L400 HydrophobicContact CD1-CD1 3.55Å; I216-L403 HydrophobicContact CD1-CD1 3.81Å; I216-L403 HydrophobicContact CG1-CD1 4.17Å
217	S	98.7	Very high	98.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	112.6	178.1	175.7	0	0	0	0	109.7	A220 F222 Y322 I324	S217-A220 VanDerWaalsContact OG-CB 3.23Å; S217-A220 WeakPolarHBondContact OG-CB 3.4Å; S217-F222 WeakPolarHBondContact OG-CZ 3.13Å; S217-Y322 PolarHBondContact N-O 2.88Å; S217-I324 PolarHBondContact O-N 2.96Å
218	V	98.8	Very high	98.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126	-179.9	-169.1	0	0	0	0	110	L187 G188 H189 S190 S193 I216 A220 I324 I390 V391 F396	L187-V218 HydrophobicContact CD2-CG2 4.26Å; L187-V218 HydrophobicContact CG-CG2 4.26Å; G188-V218 WeakPolarHBondContact O-CB 3.31Å; G188-V218 PolarHBondContact O-N 3.19Å; H189-V218 CarbonylContact C-O 3.57Å; H189-V218 WeakPolarHBondContact CA-O 3.34Å; H189-V218 PolarHBondContact CD2-O 3.46Å; S190-V218 PolarHBondContact N-O 3.4Å; S193-V218 PolarHBondContact OG-N 2.86Å; S193-V218 PolarHBondContact OG-O 2.67Å; I216-V218 HydrophobicContact CG2-CG2 3.99Å; V218-A220 VanDerWaalsContact C-N 3.27Å; V218-A220 PolarHBondContact O-N 2.56Å; V218-A220 VanDerWaalsContact O-N 3.16Å; V218-I324 CarbonylContact C-O 3.57Å; V218-I324 VanDerWaalsContact CA-O 3.31Å; V218-I324 WeakPolarHBondContact CA-O 3.48Å; V218-I390 HydrophobicContact CG1-CB 4.48Å; V218-I390 HydrophobicContact CG1-CD1 3.89Å; V218-I390 HydrophobicContact CG1-CG1 4.12Å; V218-I390 HydrophobicContact CG1-CG2 3.59Å; V218-V391 HydrophobicContact CG1-CG1 4.47Å; V218-F396 HydrophobicContact CG1-CE2 4.39Å; V218-F396 HydrophobicContact CG1-CZ 4.5Å; V218-F396 HydrophobicContact CG2-CE2 3.67Å; V218-F396 HydrophobicContact CG2-CZ 3.69Å
219	S	98.6	Very high	98.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	45	45.8	177.9	-69	0	0	0	0	114.4	S190 P221 I324 D360 H387 I390	S190-S219 WeakPolarHBondContact CA-O 3.49Å; S219-P221 WeakPolarHBondContact O-CD 3.33Å; S219-I324 PolarHBondContact N-O 3.28Å; S219-D360 WeakPolarHBondContact CB-OD2 3.36Å; S219-D360 PolarHBondContact OG-OD2 3.12Å; S219-H387 PolarHBondContact O-CE1 2.58Å; S219-H387 VanDerWaalsContact O-CE1 3.31Å; S219-I390 WeakPolarHBondContact OG-CD1 3.41Å
220	A	98.6	Very high	98.1	Very high	2 Å²	2	12.3 Å²	12.3	2%	0.017	6%	0.056	C	C	.	.			trans	-75.5	126.5	-175	0	0	0	0	0	112	S193 L194 S217 V218 F222	S193-A220 VanDerWaalsContact CB-CB 3.43Å; L194-A220 HydrophobicContact CD2-CB 4.49Å; S217-A220 VanDerWaalsContact OG-CB 3.23Å; S217-A220 WeakPolarHBondContact OG-CB 3.4Å; V218-A220 VanDerWaalsContact C-N 3.27Å; V218-A220 PolarHBondContact O-N 2.56Å; V218-A220 VanDerWaalsContact O-N 3.16Å; A220-F222 HydrophobicContact CB-CD1 4.13Å; A220-F222 HydrophobicContact CB-CD2 3.93Å; A220-F222 HydrophobicContact CB-CE1 3.75Å; A220-F222 HydrophobicContact CB-CE2 3.55Å; A220-F222 HydrophobicContact CB-CG 4.21Å; A220-F222 HydrophobicContact CB-CZ 3.45Å; A220-F222 VanDerWaalsContact CB-CZ 3.45Å; A220-F222 PolarHBondContact O-N 2.89Å
221	P	98.3	Very high	98	Very high	3 Å²	3	8 Å²	8	2%	0.019	4%	0.038	C	C	.	.			trans	-79.8	61.4	174.6	32.4	-33.9	0	0	0	111.5	L194 S219 G223 G224 L261 V363 S367	L194-P221 HydrophobicContact CD1-CG 4.07Å; S219-P221 WeakPolarHBondContact O-CD 3.33Å; P221-G223 PolarHBondContact O-N 3.05Å; P221-G224 PolarHBondContact O-N 3.06Å; P221-L261 HydrophobicContact CB-CD2 4.12Å; P221-L261 HydrophobicContact CG-CD2 3.41Å; P221-L261 VanDerWaalsContact CG-CD2 3.41Å; P221-V363 HydrophobicContact CB-CG1 3.81Å; P221-V363 HydrophobicContact CB-CG2 3.84Å; P221-S367 VanDerWaalsContact C-OG 3.28Å; P221-S367 WeakPolarHBondContact CA-OG 3.44Å
222	F	98.3	Very high	97.9	Very high	4 Å²	4	6.6 Å²	6.6	2%	0.018	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-38.6	-175.1	-64.2	-67.4	0	0	0	113.1	L194 M197 S217 A220 P312 S367 V370 C371 W374	L194-F222 HydrophobicContact CD2-CD1 3.82Å; L194-F222 HydrophobicContact CD2-CE1 4.33Å; M197-F222 HydrophobicContact SD-CD1 4.23Å; M197-F222 HydrophobicContact SD-CE1 3.94Å; S217-F222 WeakPolarHBondContact OG-CZ 3.13Å; A220-F222 HydrophobicContact CB-CD1 4.13Å; A220-F222 HydrophobicContact CB-CD2 3.93Å; A220-F222 HydrophobicContact CB-CE1 3.75Å; A220-F222 HydrophobicContact CB-CE2 3.55Å; A220-F222 HydrophobicContact CB-CG 4.21Å; A220-F222 HydrophobicContact CB-CZ 3.45Å; A220-F222 VanDerWaalsContact CB-CZ 3.45Å; A220-F222 PolarHBondContact O-N 2.89Å; F222-P312 HydrophobicContact CB-CB 4.32Å; F222-P312 WeakPolarHBondContact O-CB 3.42Å; F222-S367 WeakPolarHBondContact CB-O 3.17Å; F222-S367 PolarHBondContact N-O 3.32Å; F222-S367 PolarHBondContact N-OG 2.64Å; F222-V370 HydrophobicContact CB-CB 3.66Å; F222-V370 HydrophobicContact CB-CG1 4.06Å; F222-V370 HydrophobicContact CB-CG2 3.86Å; F222-V370 HydrophobicContact CD2-CB 4.14Å; F222-V370 HydrophobicContact CG-CB 4.19Å; F222-C371 HydrophobicContact CD2-CB 4.39Å; F222-C371 HydrophobicContact CE2-CB 3.74Å; F222-C371 HydrophobicContact CZ-CB 4.23Å; F222-W374 HydrophobicContact CD1-CH2 4.41Å; F222-W374 HydrophobicContact CD1-CZ2 4.18Å; F222-W374 AromaticContact CE1-CH2 3.56Å; F222-W374 HydrophobicContact CE1-CH2 3.56Å; F222-W374 AromaticContact CE1-CZ2 3.77Å; F222-W374 HydrophobicContact CE1-CZ2 3.77Å; F222-W374 HydrophobicContact CE2-CH2 4.17Å; F222-W374 AromaticContact CZ-CH2 3.41Å; F222-W374 HydrophobicContact CZ-CH2 3.41Å; F222-W374 VanDerWaalsContact CZ-CH2 3.41Å; F222-W374 AromaticContact CZ-CZ2 3.94Å; F222-W374 HydrophobicContact CZ-CZ2 3.94Å; F222-W374 HydrophobicContact CZ-CZ3 4.32Å
223	G	97.8	Very high	97.7	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	9.6	175.8	0	0	0	0	0	114.5	P221 D264 W268 S367	P221-G223 PolarHBondContact O-N 3.05Å; G223-D264 PolarHBondContact O-N 3.12Å; G223-W268 VanDerWaalsContact O-CD1 3.3Å; G223-W268 PolarHBondContact O-NE1 3.13Å; G223-S367 WeakPolarHBondContact CA-OG 3.28Å; G223-S367 PolarHBondContact N-OG 3.3Å
224	G	97.9	Very high	97.5	Very high	2 Å²	2	3.3 Å²	3.3	2%	0.021	2%	0.018	C	C	.	.			trans	76.7	-177.4	-170.6	0	0	0	0	0	114.2	P221 L261 L262 S367	P221-G224 PolarHBondContact O-N 3.06Å; G224-L261 CarbonylContact C-O 3.57Å; G224-L261 WeakPolarHBondContact CA-O 3.48Å; G224-L262 WeakPolarHBondContact CA-O 3.35Å; G224-S367 PolarHBondContact N-OG 2.72Å; G224-S367 WeakPolarHBondContact O-CB 3.3Å; G224-S367 PolarHBondContact O-OG 3.45Å
225	S	97.3	Very high	97.2	Very high	7 Å²	7	3.3 Å²	3.3	5%	0.049	2%	0.018	C	C	.	.			trans	-133	147.1	-177.1	69.5	0	0	0	0	112.4	E227 S228 L261 P263	S225-E227 PolarHBondContact O-N 2.93Å; S225-S228 PolarHBondContact O-N 2.96Å; S225-S228 PolarHBondContact OG-N 2.87Å; S225-L261 PolarHBondContact N-O 3.35Å; S225-P263 WeakPolarHBondContact O-CD 3.4Å
226	V	97.8	Very high	96.8	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-69.8	-25.6	169.8	-174.9	0	0	0	0	110.2	S228 L229 Y230 W268 L274 I332 M335 P364	V226-S228 VanDerWaalsContact C-N 3.33Å; V226-S228 PolarHBondContact O-N 2.73Å; V226-L229 CarbonylContact O-C 3.02Å; V226-L229 WeakPolarHBondContact O-CA 3.36Å; V226-L229 WeakPolarHBondContact O-CB 3.44Å; V226-L229 PolarHBondContact O-N 2.97Å; V226-L229 VanDerWaalsContact O-N 3.14Å; V226-Y230 PolarHBondContact O-N 2.79Å; V226-W268 HydrophobicContact CG2-CH2 3.44Å; V226-W268 VanDerWaalsContact CG2-CH2 3.44Å; V226-W268 HydrophobicContact CG2-CZ2 4.12Å; V226-W268 HydrophobicContact CG2-CZ3 3.98Å; V226-L274 HydrophobicContact CG2-CD2 4.24Å; V226-I332 HydrophobicContact CB-CB 4.46Å; V226-I332 HydrophobicContact CB-CG2 4.27Å; V226-I332 WeakPolarHBondContact CB-O 3.26Å; V226-I332 HydrophobicContact CG1-CB 4.37Å; V226-I332 HydrophobicContact CG1-CG2 3.65Å; V226-M335 HydrophobicContact CG1-CE 4.11Å; V226-P364 HydrophobicContact CG2-CG 4.13Å
227	E	96.3	Very high	96.1	Very high	27 Å²	27	7.5 Å²	7.5	13%	0.126	4%	0.038	C	C	.	.	H	α-helix	trans	-57.7	-43.5	172.3	-161.6	63.2	-134.4	0	0	112	S225 L229 Y230 A231 H236 I332 T362	S225-E227 PolarHBondContact O-N 2.93Å; E227-L229 VanDerWaalsContact C-N 3.31Å; E227-L229 PolarHBondContact O-N 2.66Å; E227-Y230 WeakPolarHBondContact O-CB 3.11Å; E227-Y230 PolarHBondContact O-N 3.14Å; E227-A231 PolarHBondContact O-N 2.91Å; E227-H236 IonicContact OE1-CD2 2.84Å; E227-H236 PolarHBondContact OE1-CD2 3.37Å; E227-H236 IonicContact OE1-CG 3.71Å; E227-H236 IonicContact OE1-NE2 3.28Å; E227-H236 PolarHBondContact OE1-NE2 2.86Å; E227-I332 WeakPolarHBondContact OE2-CD1 3.38Å; E227-T362 HydrophobicContact CB-CG2 4.29Å; E227-T362 HydrophobicContact CG-CG2 4.27Å
228	S	97	Very high	95.1	Very high	3 Å²	3	10.8 Å²	10.8	2%	0.021	6%	0.056	C	C	.	.	H	α-helix	trans	-63.8	-40.7	175.6	-169.2	0	0	0	0	111.4	S225 V226 Y230 A231 E232 M258	S225-S228 PolarHBondContact O-N 2.96Å; S225-S228 PolarHBondContact OG-N 2.87Å; V226-S228 VanDerWaalsContact C-N 3.33Å; V226-S228 PolarHBondContact O-N 2.73Å; S228-Y230 VanDerWaalsContact C-N 3.3Å; S228-Y230 PolarHBondContact O-N 2.75Å; S228-A231 PolarHBondContact O-N 3.4Å; S228-E232 WeakPolarHBondContact O-CB 3.39Å; S228-E232 VanDerWaalsContact O-CG 3.25Å; S228-E232 WeakPolarHBondContact O-CG 3.41Å; S228-E232 PolarHBondContact O-N 2.85Å; S228-M258 VanDerWaalsContact OG-C 3.3Å; S228-M258 PolarHBondContact OG-O 3.49Å
229	L	97.7	Very high	93.9	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-62.7	-37.3	175.1	-173.8	65.6	0	0	0	112.1	V226 E227 T233 L262 P263 L274 I275 L287 L290 F291 M335	V226-L229 CarbonylContact O-C 3.02Å; V226-L229 WeakPolarHBondContact O-CA 3.36Å; V226-L229 WeakPolarHBondContact O-CB 3.44Å; V226-L229 PolarHBondContact O-N 2.97Å; V226-L229 VanDerWaalsContact O-N 3.14Å; E227-L229 VanDerWaalsContact C-N 3.31Å; E227-L229 PolarHBondContact O-N 2.66Å; L229-T233 VanDerWaalsContact O-CB 3.26Å; L229-T233 WeakPolarHBondContact O-CB 3.15Å; L229-T233 PolarHBondContact O-N 3.37Å; L229-T233 PolarHBondContact O-OG1 3.34Å; L229-L262 HydrophobicContact CB-CD2 3.96Å; L229-L262 HydrophobicContact CD1-CD2 3.77Å; L229-P263 HydrophobicContact CB-CG 4.37Å; L229-P263 HydrophobicContact CD2-CG 4.4Å; L229-L274 HydrophobicContact CD2-CB 3.83Å; L229-L274 HydrophobicContact CD2-CD1 4.1Å; L229-I275 HydrophobicContact CD1-CD1 4.37Å; L229-I275 HydrophobicContact CD2-CD1 3.95Å; L229-I275 HydrophobicContact CD2-CG1 4.04Å; L229-I275 HydrophobicContact CG-CD1 4.08Å; L229-L287 HydrophobicContact CD1-CD2 3.51Å; L229-L287 HydrophobicContact CD2-CD2 4.41Å; L229-L290 HydrophobicContact CD1-CD2 3.56Å; L229-F291 HydrophobicContact CD1-CZ 4.45Å; L229-M335 HydrophobicContact CB-CE 4.03Å; L229-M335 HydrophobicContact CD2-CE 3.64Å; L229-M335 HydrophobicContact CG-CE 3.59Å
230	Y	96.6	Very high	92.7	Very high	15 Å²	15	14.8 Å²	14.8	6%	0.059	9%	0.092	C	C	.	.	H	α-helix	trans	-63.5	-49.4	174.7	176.2	-123	0	0	0	111.4	V226 E227 S228 E232 T233 C234 G235 H236 I332 M335 P352 L354	V226-Y230 PolarHBondContact O-N 2.79Å; E227-Y230 WeakPolarHBondContact O-CB 3.11Å; E227-Y230 PolarHBondContact O-N 3.14Å; S228-Y230 VanDerWaalsContact C-N 3.3Å; S228-Y230 PolarHBondContact O-N 2.75Å; Y230-E232 PolarHBondContact O-N 2.97Å; Y230-T233 PolarHBondContact O-N 3.31Å; Y230-C234 WeakPolarHBondContact CD2-SG 3.2Å; Y230-C234 HydrophobicContact CE2-CB 4.48Å; Y230-C234 WeakPolarHBondContact CE2-SG 3.36Å; Y230-C234 PolarHBondContact O-N 3.17Å; Y230-C234 PolarHBondContact O-SG 3.37Å; Y230-C234 VanDerWaalsContact O-SG 3.39Å; Y230-G235 PolarHBondContact O-N 2.83Å; Y230-H236 HydrophobicContact CD1-CB 4.27Å; Y230-H236 AromaticContact CD1-CD2 3.82Å; Y230-H236 HydrophobicContact CE1-CB 4.31Å; Y230-H236 AromaticContact CE1-CD2 3.68Å; Y230-I332 HydrophobicContact CD1-CD1 4.28Å; Y230-I332 HydrophobicContact CG-CD1 4.5Å; Y230-M335 VanDerWaalsContact CA-SD 3.57Å; Y230-M335 HydrophobicContact CD2-CG 4.36Å; Y230-M335 HydrophobicContact CD2-SD 3.62Å; Y230-M335 HydrophobicContact CG-SD 4.14Å; Y230-P352 HydrophobicContact CD2-CG 4.11Å; Y230-P352 HydrophobicContact CE2-CG 3.74Å; Y230-L354 HydrophobicContact CD2-CD2 4.4Å; Y230-L354 HydrophobicContact CE2-CD2 4.42Å
231	A	95.8	Very high	91.4	Very high	3 Å²	3	18.7 Å²	18.7	3%	0.025	12%	0.117	C	C	.	.	H	α-helix	trans	-60.5	-42.1	176.5	0	0	0	0	0	112.8	E227 S228 T233 G235 H236 Q252 M258	E227-A231 PolarHBondContact O-N 2.91Å; S228-A231 PolarHBondContact O-N 3.4Å; A231-T233 VanDerWaalsContact C-N 3.34Å; A231-T233 PolarHBondContact O-N 3.07Å; A231-G235 WeakPolarHBondContact O-CA 3.24Å; A231-G235 PolarHBondContact O-N 3.06Å; A231-H236 HydrophobicContact CB-CB 3.99Å; A231-Q252 HydrophobicContact CB-CB 4.49Å; A231-M258 HydrophobicContact CB-CE 3.27Å
232	E	96.7	Very high	90.5	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-69	-30.9	177.8	-72	-77.9	-165.2	0	0	112.8	S228 Y230 R253 M258 A259 L262 F291 F296	S228-E232 WeakPolarHBondContact O-CB 3.39Å; S228-E232 VanDerWaalsContact O-CG 3.25Å; S228-E232 WeakPolarHBondContact O-CG 3.41Å; S228-E232 PolarHBondContact O-N 2.85Å; Y230-E232 PolarHBondContact O-N 2.97Å; E232-R253 VanDerWaalsContact O-CZ 3.25Å; E232-R253 PolarHBondContact O-NE 3.07Å; E232-R253 PolarHBondContact O-NH2 3.15Å; E232-R253 VanDerWaalsContact OE2-CG 3.26Å; E232-R253 WeakPolarHBondContact OE2-CG 3.47Å; E232-M258 HydrophobicContact CG-CB 4.17Å; E232-M258 WeakPolarHBondContact OE1-CB 3.33Å; E232-A259 PolarHBondContact OE1-N 3.29Å; E232-A259 VanDerWaalsContact OE1-N 3.15Å; E232-L262 HydrophobicContact CB-CD2 4.43Å; E232-L262 HydrophobicContact CG-CD2 4.13Å; E232-F291 HydrophobicContact CB-CE1 4.07Å; E232-F291 HydrophobicContact CB-CZ 4.18Å; E232-F296 VanDerWaalsContact OE2-CE1 3.25Å; E232-F296 WeakPolarHBondContact OE2-CE1 3.25Å
233	T	96.2	Very high	89.8	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-83.8	-56.6	-177.6	-57.1	0	0	0	0	112.2	L229 Y230 A231 R249 R253 I275 F337 F347 P348	L229-T233 VanDerWaalsContact O-CB 3.26Å; L229-T233 WeakPolarHBondContact O-CB 3.15Å; L229-T233 PolarHBondContact O-N 3.37Å; L229-T233 PolarHBondContact O-OG1 3.34Å; Y230-T233 PolarHBondContact O-N 3.31Å; A231-T233 VanDerWaalsContact C-N 3.34Å; A231-T233 PolarHBondContact O-N 3.07Å; T233-R249 VanDerWaalsContact O-CD 3.24Å; T233-R249 WeakPolarHBondContact O-CD 3.18Å; T233-R249 PolarHBondContact O-NH1 3.17Å; T233-R253 PolarHBondContact O-NH2 2.87Å; T233-I275 HydrophobicContact CG2-CD1 4.42Å; T233-F337 HydrophobicContact CG2-CZ 3.97Å; T233-F347 HydrophobicContact CG2-CE2 3.67Å; T233-F347 HydrophobicContact CG2-CZ 4.25Å; T233-P348 HydrophobicContact CG2-CB 3.98Å
234	C	92.6	Very high	89.2	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.014	19%	0.19	C	C	.	.	H	α-helix	trans	-126.2	4	-171.7	36.4	0	0	0	0	113.8	Y230 P245 L246	Y230-C234 WeakPolarHBondContact CD2-SG 3.2Å; Y230-C234 HydrophobicContact CE2-CB 4.48Å; Y230-C234 WeakPolarHBondContact CE2-SG 3.36Å; Y230-C234 PolarHBondContact O-N 3.17Å; Y230-C234 PolarHBondContact O-SG 3.37Å; Y230-C234 VanDerWaalsContact O-SG 3.39Å; C234-P245 CarbonylContact O-C 3.26Å; C234-L246 HydrophobicContact CB-CD2 4.24Å; C234-L246 WeakPolarHBondContact O-CA 3.16Å; C234-L246 VanDerWaalsContact O-CD2 3.3Å; C234-L246 WeakPolarHBondContact O-CD2 3.11Å; C234-L246 PolarHBondContact O-N 2.75Å; C234-L246 VanDerWaalsContact O-N 3.17Å
235	G	92.8	Very high	88.7	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.192	C	C	.	.			trans	77.5	163.5	-174.5	0	0	0	0	0	112.5	Y230 A231 P245 Q252	Y230-G235 PolarHBondContact O-N 2.83Å; A231-G235 WeakPolarHBondContact O-CA 3.24Å; A231-G235 PolarHBondContact O-N 3.06Å; G235-P245 WeakPolarHBondContact CA-O 3.2Å; G235-P245 WeakPolarHBondContact O-CB 3.42Å; G235-Q252 VanDerWaalsContact CA-OE1 3.23Å
236	H	89.4	Confident	88.5	Confident	50 Å²	50	36.7 Å²	36.7	23%	0.231	20%	0.201	C	C	.	.			trans	-130.5	128.6	174.7	-178.8	-94.3	0	0	0	108.8	E227 Y230 A231 L238 F248 Q252	E227-H236 IonicContact OE1-CD2 2.84Å; E227-H236 PolarHBondContact OE1-CD2 3.37Å; E227-H236 IonicContact OE1-CG 3.71Å; E227-H236 IonicContact OE1-NE2 3.28Å; E227-H236 PolarHBondContact OE1-NE2 2.86Å; Y230-H236 HydrophobicContact CD1-CB 4.27Å; Y230-H236 AromaticContact CD1-CD2 3.82Å; Y230-H236 HydrophobicContact CE1-CB 4.31Å; Y230-H236 AromaticContact CE1-CD2 3.68Å; A231-H236 HydrophobicContact CB-CB 3.99Å; H236-L238 PolarHBondContact CE1-N 3.44Å; H236-L238 WeakPolarHBondContact ND1-CA 3.3Å; H236-L238 PolarHBondContact ND1-N 3.24Å; H236-L238 PolarHBondContact O-N 3.17Å; H236-F248 WeakPolarHBondContact O-CB 3.14Å; H236-Q252 PolarHBondContact O-NE2 3.38Å
237	N	83.9	Confident	88.1	Confident	37 Å²	37	38.2 Å²	38.2	20%	0.198	21%	0.214	C	C	.	.			trans	-84.3	8.5	-174.5	67.4	-17.1	0	0	0	114.1	G239 I240 R243 P245 F248	N237-G239 PolarHBondContact O-N 3.19Å; N237-G239 VanDerWaalsContact O-N 3.15Å; N237-G239 PolarHBondContact OD1-N 3.33Å; N237-I240 PolarHBondContact ND2-O 3.28Å; N237-I240 WeakPolarHBondContact O-CB 3.4Å; N237-I240 VanDerWaalsContact O-CD1 3.32Å; N237-I240 WeakPolarHBondContact O-CD1 3.39Å; N237-I240 VanDerWaalsContact O-CG1 3.23Å; N237-I240 WeakPolarHBondContact O-CG1 3.25Å; N237-I240 PolarHBondContact O-N 2.74Å; N237-R243 WeakPolarHBondContact CB-O 3.43Å; N237-R243 PolarHBondContact ND2-O 3.01Å; N237-P245 HydrophobicContact CB-CB 4.47Å; N237-P245 HydrophobicContact CB-CG 4.27Å; N237-F248 HydrophobicContact CB-CD2 4.27Å; N237-F248 HydrophobicContact CB-CE2 4.29Å
238	L	78.8	Confident	88	Confident	69 Å²	69	37 Å²	37	36%	0.361	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	31.5	177.8	-55.2	171	0	0	0	113	W68 F74 H236 I240 F248	W68-L238 HydrophobicContact CH2-CD1 3.77Å; W68-L238 HydrophobicContact CZ3-CD1 4.01Å; F74-L238 HydrophobicContact CE1-CB 4.29Å; F74-L238 HydrophobicContact CE1-CD1 3.76Å; F74-L238 HydrophobicContact CZ-CD1 3.88Å; H236-L238 PolarHBondContact CE1-N 3.44Å; H236-L238 WeakPolarHBondContact ND1-CA 3.3Å; H236-L238 PolarHBondContact ND1-N 3.24Å; H236-L238 PolarHBondContact O-N 3.17Å; L238-I240 PolarHBondContact O-N 3.45Å; L238-F248 HydrophobicContact CD1-CD1 4.47Å
239	G	73.3	Confident	87.9	Confident	62 Å²	62	38.5 Å²	38.5	64%	0.639	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.5	4	-177.1	0	0	0	0	0	115	N237 P241	N237-G239 PolarHBondContact O-N 3.19Å; N237-G239 VanDerWaalsContact O-N 3.15Å; N237-G239 PolarHBondContact OD1-N 3.33Å; G239-P241 VanDerWaalsContact O-CD 3.29Å; G239-P241 WeakPolarHBondContact O-CD 3.37Å
240	I	73.5	Confident	87.8	Confident	23 Å²	23	43 Å²	43	12%	0.118	24%	0.237	C	C	.	.			trans	-72.8	115.8	179.8	-54.9	158.2	0	0	0	109.4	F74 N237 L238 R243 F248	F74-I240 HydrophobicContact CB-CD1 3.66Å; F74-I240 HydrophobicContact CB-CG1 4.46Å; F74-I240 HydrophobicContact CD1-CD1 3.31Å; F74-I240 HydrophobicContact CD1-CG1 3.79Å; F74-I240 HydrophobicContact CE1-CD1 4.19Å; F74-I240 HydrophobicContact CG-CD1 3.81Å; N237-I240 PolarHBondContact ND2-O 3.28Å; N237-I240 WeakPolarHBondContact O-CB 3.4Å; N237-I240 VanDerWaalsContact O-CD1 3.32Å; N237-I240 WeakPolarHBondContact O-CD1 3.39Å; N237-I240 VanDerWaalsContact O-CG1 3.23Å; N237-I240 WeakPolarHBondContact O-CG1 3.25Å; N237-I240 PolarHBondContact O-N 2.74Å; L238-I240 PolarHBondContact O-N 3.45Å; I240-R243 HydrophobicContact CG2-CB 4.38Å; I240-R243 HydrophobicContact CG2-CG 4.09Å; I240-F248 HydrophobicContact CD1-CE1 3.92Å; I240-F248 HydrophobicContact CD1-CE2 4.02Å; I240-F248 HydrophobicContact CD1-CZ 3.3Å
241	P	71.8	Confident	87.7	Confident	84 Å²	84	42.7 Å²	42.7	55%	0.545	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	153.1	177.8	30	-34.9	0	0	0	110.2	G239 R243	G239-P241 VanDerWaalsContact O-CD 3.29Å; G239-P241 WeakPolarHBondContact O-CD 3.37Å; P241-R243 PolarHBondContact O-N 3.32Å; P241-R243 VanDerWaalsContact O-N 3.09Å
242	F	78.7	Confident	87.7	Confident	212 Å²	212	43.2 Å²	43.2	93%	0.93	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.8	1.1	176.6	-39.3	-71.5	0	0	0	117
243	R	83.3	Confident	87.7	Confident	73 Å²	73	44.7 Å²	44.7	28%	0.275	24%	0.244	S	C	.	.	S	Bend	trans	-105.9	131.4	168.2	-67.3	-64.1	-65.6	-175.6	-1.8	110.6	E78 N237 I240 P241 F248	E78-R243 IonicContact OE1-NH2 3.15Å; E78-R243 PolarHBondContact OE1-NH2 2.77Å; E78-R243 VanDerWaalsContact OE1-NH2 3.15Å; N237-R243 WeakPolarHBondContact CB-O 3.43Å; N237-R243 PolarHBondContact ND2-O 3.01Å; I240-R243 HydrophobicContact CG2-CB 4.38Å; I240-R243 HydrophobicContact CG2-CG 4.09Å; P241-R243 PolarHBondContact O-N 3.32Å; P241-R243 VanDerWaalsContact O-N 3.09Å; R243-F248 HydrophobicContact CB-CE2 3.91Å
244	S	86.5	Confident	87.8	Confident	52 Å²	52	45.6 Å²	45.6	36%	0.364	25%	0.25	S	S	.	.			trans	-64.7	136.8	173.6	178.5	0	0	0	0	110	L246 A247	S244-L246 PolarHBondContact O-N 3.15Å; S244-L246 VanDerWaalsContact O-N 3.16Å; S244-L246 PolarHBondContact OG-N 3.32Å; S244-A247 WeakPolarHBondContact O-CB 3.28Å; S244-A247 PolarHBondContact O-N 2.92Å
245	P	87.5	Confident	88	Confident	9 Å²	9	46.1 Å²	46.1	6%	0.058	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-52.6	-34.6	171.9	-23.9	32.3	0	0	0	112.7	C234 G235 N237 A247 F248 R249 I351	C234-P245 CarbonylContact O-C 3.26Å; G235-P245 WeakPolarHBondContact CA-O 3.2Å; G235-P245 WeakPolarHBondContact O-CB 3.42Å; N237-P245 HydrophobicContact CB-CB 4.47Å; N237-P245 HydrophobicContact CB-CG 4.27Å; P245-A247 PolarHBondContact O-N 3.03Å; P245-A247 VanDerWaalsContact O-N 3.08Å; P245-F248 PolarHBondContact O-N 3.01Å; P245-R249 PolarHBondContact O-N 3.08Å; P245-I351 HydrophobicContact CG-CD1 4.44Å
246	L	91.6	Very high	88.2	Confident	47 Å²	47	46.2 Å²	46.2	25%	0.246	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-57.2	-28.2	178.4	-65.7	168.1	0	0	0	113.3	C234 S244 F248 R249 N349	C234-L246 HydrophobicContact CB-CD2 4.24Å; C234-L246 WeakPolarHBondContact O-CA 3.16Å; C234-L246 VanDerWaalsContact O-CD2 3.3Å; C234-L246 WeakPolarHBondContact O-CD2 3.11Å; C234-L246 PolarHBondContact O-N 2.75Å; C234-L246 VanDerWaalsContact O-N 3.17Å; S244-L246 PolarHBondContact O-N 3.15Å; S244-L246 VanDerWaalsContact O-N 3.16Å; S244-L246 PolarHBondContact OG-N 3.32Å; L246-F248 PolarHBondContact O-N 2.89Å; L246-R249 WeakPolarHBondContact O-CB 3.45Å; L246-R249 PolarHBondContact O-N 3.41Å; L246-N349 WeakPolarHBondContact CD1-O 3.15Å
247	A	91.1	Very high	88.6	Confident	32 Å²	32	43.9 Å²	43.9	26%	0.264	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-69.9	-20	179.9	0	0	0	0	0	113.1	P77 S244 P245	P77-A247 WeakPolarHBondContact CB-O 3.29Å; P77-A247 HydrophobicContact CG-CB 3.78Å; P77-A247 WeakPolarHBondContact CG-O 3.15Å; S244-A247 WeakPolarHBondContact O-CB 3.28Å; S244-A247 PolarHBondContact O-N 2.92Å; P245-A247 PolarHBondContact O-N 3.03Å; P245-A247 VanDerWaalsContact O-N 3.08Å
248	F	93.6	Very high	89.3	Confident	1 Å²	1	43.1 Å²	43.1	0%	0.004	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-99.6	-9.3	177.9	-67.2	-91.5	0	0	0	113.1	F74 P77 L80 H236 N237 L238 I240 R243 P245 L246 D250 I251 Q252	F74-F248 WeakPolarHBondContact O-CZ 3.39Å; P77-F248 HydrophobicContact CB-CD1 3.87Å; P77-F248 HydrophobicContact CB-CE1 3.75Å; P77-F248 HydrophobicContact CB-CE2 4.47Å; P77-F248 HydrophobicContact CB-CG 4.29Å; P77-F248 HydrophobicContact CB-CZ 4.05Å; P77-F248 HydrophobicContact CG-CE1 4.48Å; P77-F248 HydrophobicContact CG-CE2 4.45Å; P77-F248 HydrophobicContact CG-CZ 4.29Å; L80-F248 HydrophobicContact CD1-CE1 4.17Å; H236-F248 WeakPolarHBondContact O-CB 3.14Å; N237-F248 HydrophobicContact CB-CD2 4.27Å; N237-F248 HydrophobicContact CB-CE2 4.29Å; L238-F248 HydrophobicContact CD1-CD1 4.47Å; I240-F248 HydrophobicContact CD1-CE1 3.92Å; I240-F248 HydrophobicContact CD1-CE2 4.02Å; I240-F248 HydrophobicContact CD1-CZ 3.3Å; R243-F248 HydrophobicContact CB-CE2 3.91Å; P245-F248 PolarHBondContact O-N 3.01Å; L246-F248 PolarHBondContact O-N 2.89Å; F248-D250 VanDerWaalsContact C-N 3.3Å; F248-D250 PolarHBondContact O-N 3.01Å; F248-I251 HydrophobicContact CB-CG2 4.34Å; F248-I251 HydrophobicContact CD1-CG2 4.43Å; F248-I251 WeakPolarHBondContact O-CG2 3.45Å; F248-I251 PolarHBondContact O-N 3.18Å; F248-Q252 WeakPolarHBondContact O-CB 3.31Å; F248-Q252 WeakPolarHBondContact O-CG 3.23Å; F248-Q252 PolarHBondContact O-N 3.25Å; F248-Q252 PolarHBondContact O-OE1 3.29Å
249	R	95.2	Very high	90.2	Very high	35 Å²	35	39.9 Å²	39.9	13%	0.132	22%	0.221	C	C	.	.	H	α-helix	trans	-56.8	-43.8	-174	-173.9	173	65.3	-171.5	-5.9	112.3	T233 P245 L246 I251 Q252 R253 N349	T233-R249 VanDerWaalsContact O-CD 3.24Å; T233-R249 WeakPolarHBondContact O-CD 3.18Å; T233-R249 PolarHBondContact O-NH1 3.17Å; P245-R249 PolarHBondContact O-N 3.08Å; L246-R249 WeakPolarHBondContact O-CB 3.45Å; L246-R249 PolarHBondContact O-N 3.41Å; R249-I251 PolarHBondContact O-N 2.95Å; R249-Q252 PolarHBondContact O-N 2.61Å; R249-R253 HydrophobicContact CG-CG 4.15Å; R249-R253 VanDerWaalsContact O-CB 3.27Å; R249-R253 WeakPolarHBondContact O-CB 3.28Å; R249-R253 VanDerWaalsContact O-CG 3.23Å; R249-R253 WeakPolarHBondContact O-CG 3.49Å; R249-R253 PolarHBondContact O-N 3.22Å; R249-N349 PolarHBondContact NH1-OD1 3.43Å; R249-N349 PolarHBondContact NH2-OD1 2.9Å
250	D	95.2	Very high	91.3	Very high	96 Å²	96	37.3 Å²	37.3	51%	0.513	19%	0.192	S	C	.	.	H	α-helix	trans	-67.8	-37.3	-175.8	-68	-11.1	0	0	0	112.7	L81 F248 S254	L81-D250 HydrophobicContact CD1-CB 4.49Å; L81-D250 HydrophobicContact CD2-CB 3.83Å; F248-D250 VanDerWaalsContact C-N 3.3Å; F248-D250 PolarHBondContact O-N 3.01Å; D250-S254 PolarHBondContact O-N 3.37Å
251	I	94.9	Very high	92.5	Very high	9 Å²	9	36.6 Å²	36.6	5%	0.046	19%	0.189	C	C	.	.	H	α-helix	trans	-71.3	-40.8	174.7	-178.3	170.5	0	0	0	111.2	L80 L81 M84 F248 R249 S254 F255	L80-I251 HydrophobicContact CB-CD1 3.44Å; L80-I251 VanDerWaalsContact CB-CD1 3.44Å; L81-I251 HydrophobicContact CB-CB 4.12Å; L81-I251 HydrophobicContact CD1-CB 4.13Å; M84-I251 HydrophobicContact CG-CD1 3.71Å; M84-I251 HydrophobicContact SD-CD1 4.12Å; F248-I251 HydrophobicContact CB-CG2 4.34Å; F248-I251 HydrophobicContact CD1-CG2 4.43Å; F248-I251 WeakPolarHBondContact O-CG2 3.45Å; F248-I251 PolarHBondContact O-N 3.18Å; R249-I251 PolarHBondContact O-N 2.95Å; I251-S254 WeakPolarHBondContact O-CB 3.31Å; I251-S254 PolarHBondContact O-N 2.98Å; I251-S254 VanDerWaalsContact O-N 3.11Å; I251-S254 PolarHBondContact O-OG 2.96Å; I251-F255 HydrophobicContact CD1-CE1 4.5Å; I251-F255 HydrophobicContact CD1-CZ 3.9Å; I251-F255 HydrophobicContact CG1-CE1 3.85Å; I251-F255 HydrophobicContact CG1-CE2 4.25Å; I251-F255 HydrophobicContact CG1-CZ 3.53Å; I251-F255 WeakPolarHBondContact O-CD1 3.42Å
252	Q	95.7	Very high	93.8	Very high	14 Å²	14	32.6 Å²	32.6	7%	0.065	16%	0.163	C	C	.	.	H	α-helix	trans	-63	-47.6	177.8	-73.9	163.7	-23.5	0	0	111.6	A231 G235 H236 F248 R249 S254 F255 M258	A231-Q252 HydrophobicContact CB-CB 4.49Å; G235-Q252 VanDerWaalsContact CA-OE1 3.23Å; H236-Q252 PolarHBondContact O-NE2 3.38Å; F248-Q252 WeakPolarHBondContact O-CB 3.31Å; F248-Q252 WeakPolarHBondContact O-CG 3.23Å; F248-Q252 PolarHBondContact O-N 3.25Å; F248-Q252 PolarHBondContact O-OE1 3.29Å; R249-Q252 PolarHBondContact O-N 2.61Å; Q252-S254 PolarHBondContact O-N 2.94Å; Q252-S254 VanDerWaalsContact O-N 3.14Å; Q252-F255 PolarHBondContact O-N 2.8Å; Q252-M258 WeakPolarHBondContact O-CG 3.31Å
253	R	96.8	Very high	94.7	Very high	31 Å²	31	22.5 Å²	22.5	12%	0.117	12%	0.118	C	C	.	.	H	α-helix	trans	-57.4	-26.3	172.9	-77.3	-178.8	173.6	-172.7	-6	113.4	E232 T233 R249 F255 F296	E232-R253 VanDerWaalsContact O-CZ 3.25Å; E232-R253 PolarHBondContact O-NE 3.07Å; E232-R253 PolarHBondContact O-NH2 3.15Å; E232-R253 VanDerWaalsContact OE2-CG 3.26Å; E232-R253 WeakPolarHBondContact OE2-CG 3.47Å; T233-R253 PolarHBondContact O-NH2 2.87Å; R249-R253 HydrophobicContact CG-CG 4.15Å; R249-R253 VanDerWaalsContact O-CB 3.27Å; R249-R253 WeakPolarHBondContact O-CB 3.28Å; R249-R253 VanDerWaalsContact O-CG 3.23Å; R249-R253 WeakPolarHBondContact O-CG 3.49Å; R249-R253 PolarHBondContact O-N 3.22Å; R253-F255 PolarHBondContact O-N 3.4Å; R253-F296 HydrophobicContact CB-CD1 4.46Å; R253-F296 HydrophobicContact CB-CE1 3.7Å; R253-F296 HydrophobicContact CB-CE2 4.35Å; R253-F296 HydrophobicContact CB-CZ 3.67Å; R253-F296 HydrophobicContact CG-CD1 3.88Å; R253-F296 HydrophobicContact CG-CE1 3.53Å; R253-F296 HydrophobicContact CG-CZ 4.01Å; R253-F296 WeakPolarHBondContact O-CZ 3.27Å
254	S	97.1	Very high	95.4	Very high	19 Å²	19	19.2 Å²	19.2	13%	0.133	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-16.6	178	83.8	0	0	0	0	112.9	G85 L86 D250 I251 Q252 P256	G85-S254 WeakPolarHBondContact CA-OG 3.05Å; L86-S254 WeakPolarHBondContact CB-O 3.48Å; L86-S254 PolarHBondContact N-OG 3.35Å; D250-S254 PolarHBondContact O-N 3.37Å; I251-S254 WeakPolarHBondContact O-CB 3.31Å; I251-S254 PolarHBondContact O-N 2.98Å; I251-S254 VanDerWaalsContact O-N 3.11Å; I251-S254 PolarHBondContact O-OG 2.96Å; Q252-S254 PolarHBondContact O-N 2.94Å; Q252-S254 VanDerWaalsContact O-N 3.14Å; S254-P256 VanDerWaalsContact O-CD 3.28Å; S254-P256 WeakPolarHBondContact O-CD 3.39Å
255	F	97.4	Very high	95.9	Very high	14 Å²	14	18.7 Å²	18.7	6%	0.061	10%	0.102	C	C	.	.			trans	-95.2	111.2	-175.4	-64.1	-7.8	0	0	0	111.3	M84 L86 R155 I251 Q252 R253 A257 M258	M84-F255 HydrophobicContact CE-CE2 4.37Å; M84-F255 HydrophobicContact CE-CZ 3.77Å; M84-F255 HydrophobicContact CG-CZ 4.18Å; M84-F255 HydrophobicContact SD-CZ 4.35Å; L86-F255 HydrophobicContact CD1-CD1 4.5Å; R155-F255 HydrophobicContact CB-CB 4.27Å; R155-F255 HydrophobicContact CB-CD1 3.59Å; R155-F255 HydrophobicContact CB-CD2 4.33Å; R155-F255 HydrophobicContact CB-CE1 4Å; R155-F255 HydrophobicContact CB-CG 3.8Å; R155-F255 HydrophobicContact CG-CD1 3.79Å; R155-F255 HydrophobicContact CG-CD2 4.27Å; R155-F255 HydrophobicContact CG-CE1 3.63Å; R155-F255 HydrophobicContact CG-CE2 4.13Å; R155-F255 HydrophobicContact CG-CG 4.12Å; R155-F255 HydrophobicContact CG-CZ 3.83Å; R155-F255 CarbonylContact O-C 3.57Å; R155-F255 VanDerWaalsContact O-C 3.26Å; R155-F255 VanDerWaalsContact O-CA 3.28Å; R155-F255 WeakPolarHBondContact O-CA 3.41Å; R155-F255 VanDerWaalsContact O-CB 3.31Å; R155-F255 WeakPolarHBondContact O-CB 3.43Å; I251-F255 HydrophobicContact CD1-CE1 4.5Å; I251-F255 HydrophobicContact CD1-CZ 3.9Å; I251-F255 HydrophobicContact CG1-CE1 3.85Å; I251-F255 HydrophobicContact CG1-CE2 4.25Å; I251-F255 HydrophobicContact CG1-CZ 3.53Å; I251-F255 WeakPolarHBondContact O-CD1 3.42Å; Q252-F255 PolarHBondContact O-N 2.8Å; R253-F255 PolarHBondContact O-N 3.4Å; F255-A257 PolarHBondContact O-N 3.07Å; F255-M258 HydrophobicContact CB-CG 4.01Å; F255-M258 WeakPolarHBondContact O-CB 3.26Å; F255-M258 PolarHBondContact O-N 3.44Å
256	P	97.8	Very high	96.4	Very high	2 Å²	2	23 Å²	23	1%	0.013	12%	0.117	C	C	.	.	H	α-helix	trans	-53.3	-26.4	174.1	-29.1	34.9	0	0	0	115	T95 R155 A157 E160 S254 M258 A259 F260 I302	T95-P256 HydrophobicContact CG2-CG 3.32Å; R155-P256 WeakPolarHBondContact O-CD 3.5Å; R155-P256 VanDerWaalsContact O-N 3.07Å; A157-P256 HydrophobicContact CB-CB 4.45Å; E160-P256 WeakPolarHBondContact OE2-CG 3.28Å; S254-P256 VanDerWaalsContact O-CD 3.28Å; S254-P256 WeakPolarHBondContact O-CD 3.39Å; P256-M258 PolarHBondContact O-N 3.32Å; P256-A259 PolarHBondContact O-N 3.27Å; P256-F260 PolarHBondContact O-N 2.82Å; P256-I302 HydrophobicContact CB-CG2 3.79Å
257	A	97.7	Very high	96.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-58.7	-32.9	174.2	0	0	0	0	0	112.8	I46 F154 R155 L191 F255 F260 L261	I46-A257 HydrophobicContact CD1-CB 3.99Å; F154-A257 WeakPolarHBondContact O-CB 3.41Å; R155-A257 WeakPolarHBondContact O-CB 3.49Å; R155-A257 PolarHBondContact O-N 3.49Å; L191-A257 HydrophobicContact CD2-CB 3.98Å; F255-A257 PolarHBondContact O-N 3.07Å; A257-F260 PolarHBondContact O-N 3.45Å; A257-L261 WeakPolarHBondContact O-CB 3.36Å; A257-L261 VanDerWaalsContact O-CG 3.24Å; A257-L261 WeakPolarHBondContact O-CG 3.45Å; A257-L261 PolarHBondContact O-N 3.4Å
258	M	97.1	Very high	97	Very high	22 Å²	22	20.4 Å²	20.4	11%	0.108	10%	0.099	C	C	.	.	H	α-helix	trans	-66.4	-51.7	177	-63.5	-58.1	-64.6	0	0	110.1	I46 S228 A231 E232 Q252 F255 P256 F260 L261 L262	I46-M258 HydrophobicContact CD1-CG 4.46Å; I46-M258 HydrophobicContact CD1-SD 3.52Å; I46-M258 VanDerWaalsContact CD1-SD 3.52Å; S228-M258 VanDerWaalsContact OG-C 3.3Å; S228-M258 PolarHBondContact OG-O 3.49Å; A231-M258 HydrophobicContact CB-CE 3.27Å; E232-M258 HydrophobicContact CG-CB 4.17Å; E232-M258 WeakPolarHBondContact OE1-CB 3.33Å; Q252-M258 WeakPolarHBondContact O-CG 3.31Å; F255-M258 HydrophobicContact CB-CG 4.01Å; F255-M258 WeakPolarHBondContact O-CB 3.26Å; F255-M258 PolarHBondContact O-N 3.44Å; P256-M258 PolarHBondContact O-N 3.32Å; M258-F260 VanDerWaalsContact C-N 3.27Å; M258-F260 PolarHBondContact O-N 3.39Å; M258-L261 CarbonylContact O-C 3.57Å; M258-L261 PolarHBondContact O-N 3.08Å; M258-L262 PolarHBondContact O-N 2.73Å
259	A	97.7	Very high	97.1	Very high	1 Å²	1	23 Å²	23	1%	0.008	12%	0.116	C	C	.	.	H	α-helix	trans	-57.3	-38.5	174.1	0	0	0	0	0	112.8	E232 P256 L261 L262 I302 M303	E232-A259 PolarHBondContact OE1-N 3.29Å; E232-A259 VanDerWaalsContact OE1-N 3.15Å; P256-A259 PolarHBondContact O-N 3.27Å; A259-L261 VanDerWaalsContact C-N 3.32Å; A259-L261 PolarHBondContact O-N 2.83Å; A259-L262 HydrophobicContact CB-CD1 4.36Å; A259-L262 WeakPolarHBondContact O-CB 3.35Å; A259-L262 WeakPolarHBondContact O-CD1 3.36Å; A259-L262 WeakPolarHBondContact O-CG 3.36Å; A259-L262 PolarHBondContact O-N 3.07Å; A259-I302 HydrophobicContact CB-CB 3.85Å; A259-I302 HydrophobicContact CB-CG2 3.61Å; A259-M303 HydrophobicContact CB-CB 4.5Å; A259-M303 WeakPolarHBondContact O-CG 3.48Å
260	F	98	Very high	97.3	Very high	7 Å²	7	25.3 Å²	25.3	3%	0.031	14%	0.138	C	C	.	.	H	α-helix	trans	-62.1	-38.6	175.4	176.1	-125.9	0	0	0	113	A157 P158 L191 L194 P256 A257 M258 L262 T306 K307 V309 F310	A157-F260 HydrophobicContact CB-CB 3.91Å; A157-F260 HydrophobicContact CB-CD1 4.41Å; A157-F260 HydrophobicContact CB-CG 4.12Å; P158-F260 HydrophobicContact CG-CE1 4.12Å; P158-F260 HydrophobicContact CG-CZ 4.24Å; L191-F260 HydrophobicContact CD1-CD1 3.77Å; L191-F260 HydrophobicContact CD1-CE1 3.8Å; L194-F260 HydrophobicContact CB-CE1 3.98Å; L194-F260 HydrophobicContact CB-CZ 4.23Å; L194-F260 HydrophobicContact CD1-CD1 4.49Å; L194-F260 HydrophobicContact CD1-CE1 3.67Å; L194-F260 HydrophobicContact CD1-CZ 4Å; P256-F260 PolarHBondContact O-N 2.82Å; A257-F260 PolarHBondContact O-N 3.45Å; M258-F260 VanDerWaalsContact C-N 3.27Å; M258-F260 PolarHBondContact O-N 3.39Å; F260-L262 VanDerWaalsContact C-N 3.27Å; F260-L262 PolarHBondContact O-N 2.74Å; F260-T306 WeakPolarHBondContact CA-OG1 3.39Å; F260-T306 HydrophobicContact CB-CG2 4.44Å; F260-T306 WeakPolarHBondContact CD2-O 3.39Å; F260-T306 VanDerWaalsContact CE2-O 3.26Å; F260-T306 WeakPolarHBondContact CE2-O 3.45Å; F260-K307 PolarHBondContact O-NZ 2.64Å; F260-V309 HydrophobicContact CE2-CG2 4.07Å; F260-V309 HydrophobicContact CZ-CG2 4.38Å; F260-F310 HydrophobicContact CE2-CZ 4.45Å; F260-F310 AromaticContact CZ-CE1 3.84Å; F260-F310 HydrophobicContact CZ-CE1 3.84Å; F260-F310 AromaticContact CZ-CZ 3.85Å; F260-F310 HydrophobicContact CZ-CZ 3.85Å
261	L	98.1	Very high	97.4	Very high	9 Å²	9	27 Å²	27	5%	0.047	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	1.9	179.7	-70.6	172.7	0	0	0	114	I46 L191 L194 P221 G224 S225 A257 M258 A259	I46-L261 HydrophobicContact CD1-CD1 4.3Å; L191-L261 HydrophobicContact CD1-CD1 4.39Å; L191-L261 HydrophobicContact CD1-CD2 4.07Å; L191-L261 HydrophobicContact CD1-CG 4.27Å; L194-L261 HydrophobicContact CD1-CD2 3.93Å; P221-L261 HydrophobicContact CB-CD2 4.12Å; P221-L261 HydrophobicContact CG-CD2 3.41Å; P221-L261 VanDerWaalsContact CG-CD2 3.41Å; G224-L261 CarbonylContact C-O 3.57Å; G224-L261 WeakPolarHBondContact CA-O 3.48Å; S225-L261 PolarHBondContact N-O 3.35Å; A257-L261 WeakPolarHBondContact O-CB 3.36Å; A257-L261 VanDerWaalsContact O-CG 3.24Å; A257-L261 WeakPolarHBondContact O-CG 3.45Å; A257-L261 PolarHBondContact O-N 3.4Å; M258-L261 CarbonylContact O-C 3.57Å; M258-L261 PolarHBondContact O-N 3.08Å; A259-L261 VanDerWaalsContact C-N 3.32Å; A259-L261 PolarHBondContact O-N 2.83Å
262	L	98.4	Very high	97.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	-60.5	155.3	174.1	-72.9	170.7	0	0	0	112	G224 L229 E232 M258 A259 F260 D264 L287 F291 M303 K307	G224-L262 WeakPolarHBondContact CA-O 3.35Å; L229-L262 HydrophobicContact CB-CD2 3.96Å; L229-L262 HydrophobicContact CD1-CD2 3.77Å; E232-L262 HydrophobicContact CB-CD2 4.43Å; E232-L262 HydrophobicContact CG-CD2 4.13Å; M258-L262 PolarHBondContact O-N 2.73Å; A259-L262 HydrophobicContact CB-CD1 4.36Å; A259-L262 WeakPolarHBondContact O-CB 3.35Å; A259-L262 WeakPolarHBondContact O-CD1 3.36Å; A259-L262 WeakPolarHBondContact O-CG 3.36Å; A259-L262 PolarHBondContact O-N 3.07Å; F260-L262 VanDerWaalsContact C-N 3.27Å; F260-L262 PolarHBondContact O-N 2.74Å; L262-D264 PolarHBondContact O-N 3.07Å; L262-L287 HydrophobicContact CB-CD1 4.4Å; L262-F291 HydrophobicContact CD1-CE2 3.52Å; L262-F291 HydrophobicContact CD1-CZ 3.57Å; L262-F291 HydrophobicContact CD2-CZ 4.11Å; L262-M303 HydrophobicContact CB-CG 4.23Å; L262-M303 HydrophobicContact CB-SD 3.76Å; L262-M303 HydrophobicContact CD1-CB 4.13Å; L262-M303 HydrophobicContact CD1-CG 4.19Å; L262-M303 HydrophobicContact CD1-SD 3.88Å; L262-K307 WeakPolarHBondContact O-CE 3.12Å; L262-K307 PolarHBondContact O-NZ 2.95Å
263	P	98.4	Very high	97.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-51.3	124.8	175.7	-29.2	38.3	0	0	0	112.2	S225 L229 P265 W268 L274 A284	S225-P263 WeakPolarHBondContact O-CD 3.4Å; L229-P263 HydrophobicContact CB-CG 4.37Å; L229-P263 HydrophobicContact CD2-CG 4.4Å; P263-P265 WeakPolarHBondContact O-CD 3.23Å; P263-W268 HydrophobicContact CB-CD2 3.97Å; P263-W268 HydrophobicContact CB-CG 3.96Å; P263-L274 HydrophobicContact CB-CD1 3.7Å; P263-L274 HydrophobicContact CG-CD1 3.62Å; P263-A284 HydrophobicContact CB-CB 3.95Å
264	D	97.8	Very high	97.7	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.021	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-81.5	119.1	-178.1	-159.8	-53.1	0	0	0	111.8	G223 L262 R266 V267 W268 K307	G223-D264 PolarHBondContact O-N 3.12Å; L262-D264 PolarHBondContact O-N 3.07Å; D264-R266 PolarHBondContact O-N 3.24Å; D264-R266 VanDerWaalsContact OD1-CB 3.24Å; D264-R266 WeakPolarHBondContact OD1-CB 3.39Å; D264-R266 WeakPolarHBondContact OD1-CG 3.43Å; D264-R266 IonicContact OD1-CZ 3.02Å; D264-R266 PolarHBondContact OD1-N 2.77Å; D264-R266 IonicContact OD1-NE 3.57Å; D264-R266 PolarHBondContact OD1-NE 3.17Å; D264-R266 IonicContact OD1-NH2 2.77Å; D264-R266 IonicContact OD2-CZ 3.31Å; D264-R266 IonicContact OD2-NE 2.94Å; D264-R266 PolarHBondContact OD2-NE 3.36Å; D264-R266 IonicContact OD2-NH2 3.42Å; D264-R266 PolarHBondContact OD2-NH2 3.4Å; D264-V267 HydrophobicContact CB-CB 4.4Å; D264-V267 HydrophobicContact CB-CG2 4.28Å; D264-V267 PolarHBondContact O-N 3.39Å; D264-W268 VanDerWaalsContact O-CD1 3.24Å; D264-W268 PolarHBondContact O-N 3.27Å; D264-K307 HydrophobicContact CB-CD 4.3Å; D264-K307 WeakPolarHBondContact OD2-CD 3.5Å; D264-K307 IonicContact OD2-NZ 3.48Å; D264-K307 PolarHBondContact OD2-NZ 2.82Å
265	P	97.2	Very high	97.8	Very high	41 Å²	41	31 Å²	31	27%	0.266	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-19.6	179.2	-22.6	33.2	0	0	0	114.3	P263 V267 A284 H285	P263-P265 WeakPolarHBondContact O-CD 3.23Å; P265-V267 VanDerWaalsContact C-N 3.3Å; P265-A284 WeakPolarHBondContact CG-O 3.4Å; P265-H285 PolarHBondContact O-CE1 2.93Å; P265-H285 VanDerWaalsContact O-CE1 3.24Å; P265-H285 PolarHBondContact O-NE2 3.03Å
266	R	96.7	Very high	97.9	Very high	100 Å²	100	32.4 Å²	32.4	38%	0.377	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-26.7	173.2	-61.9	171	-72.4	-174.4	-1.5	112.4	D264 K307 F310 Y313	D264-R266 PolarHBondContact O-N 3.24Å; D264-R266 VanDerWaalsContact OD1-CB 3.24Å; D264-R266 WeakPolarHBondContact OD1-CB 3.39Å; D264-R266 WeakPolarHBondContact OD1-CG 3.43Å; D264-R266 IonicContact OD1-CZ 3.02Å; D264-R266 PolarHBondContact OD1-N 2.77Å; D264-R266 IonicContact OD1-NE 3.57Å; D264-R266 PolarHBondContact OD1-NE 3.17Å; D264-R266 IonicContact OD1-NH2 2.77Å; D264-R266 IonicContact OD2-CZ 3.31Å; D264-R266 IonicContact OD2-NE 2.94Å; D264-R266 PolarHBondContact OD2-NE 3.36Å; D264-R266 IonicContact OD2-NH2 3.42Å; D264-R266 PolarHBondContact OD2-NH2 3.4Å; R266-K307 PolarHBondContact NH2-O 2.86Å; R266-F310 PolarHBondContact NH1-O 3.27Å; R266-F310 PolarHBondContact NH2-O 3.16Å; R266-Y313 WeakPolarHBondContact O-CE2 3.25Å
267	V	97.7	Very high	97.9	Very high	19 Å²	19	32.9 Å²	32.9	12%	0.115	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-36.6	-177.7	178.7	0	0	0	0	112	D264 P265 P312 Y313 V370	D264-V267 HydrophobicContact CB-CB 4.4Å; D264-V267 HydrophobicContact CB-CG2 4.28Å; D264-V267 PolarHBondContact O-N 3.39Å; P265-V267 VanDerWaalsContact C-N 3.3Å; V267-P312 HydrophobicContact CG2-CB 4.43Å; V267-P312 HydrophobicContact CG2-CG 3.85Å; V267-Y313 WeakPolarHBondContact CA-OH 3.37Å; V267-Y313 HydrophobicContact CG2-CE2 4.1Å; V267-V370 HydrophobicContact CG1-CG2 3.85Å; V267-V370 HydrophobicContact CG2-CG2 4.07Å
268	W	97.9	Very high	97.8	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.015	19%	0.193	C	C	.	.	S	Bend	trans	-94.1	126.1	-174.8	-68.8	77.1	0	0	0	110.9	G223 V226 P263 D264 E272 L274 A284 H285 P364 K366	G223-W268 VanDerWaalsContact O-CD1 3.3Å; G223-W268 PolarHBondContact O-NE1 3.13Å; V226-W268 HydrophobicContact CG2-CH2 3.44Å; V226-W268 VanDerWaalsContact CG2-CH2 3.44Å; V226-W268 HydrophobicContact CG2-CZ2 4.12Å; V226-W268 HydrophobicContact CG2-CZ3 3.98Å; P263-W268 HydrophobicContact CB-CD2 3.97Å; P263-W268 HydrophobicContact CB-CG 3.96Å; D264-W268 VanDerWaalsContact O-CD1 3.24Å; D264-W268 PolarHBondContact O-N 3.27Å; W268-E272 WeakPolarHBondContact CZ3-OE1 3.34Å; W268-L274 HydrophobicContact CE3-CD1 4.11Å; W268-L274 HydrophobicContact CE3-CD2 3.56Å; W268-L274 HydrophobicContact CE3-CG 4.41Å; W268-L274 HydrophobicContact CH2-CD2 4.33Å; W268-L274 HydrophobicContact CZ3-CD1 4.39Å; W268-L274 HydrophobicContact CZ3-CD2 3.34Å; W268-A284 HydrophobicContact CB-CB 3.45Å; W268-A284 VanDerWaalsContact CB-CB 3.45Å; W268-A284 HydrophobicContact CG-CB 4.11Å; W268-H285 PolarHBondContact O-CD2 3.16Å; W268-H285 PolarHBondContact O-NE2 3.3Å; W268-P364 HydrophobicContact CH2-CB 3.99Å; W268-P364 HydrophobicContact CH2-CG 3.8Å; W268-P364 HydrophobicContact CZ2-CB 4.25Å; W268-P364 HydrophobicContact CZ2-CG 4.04Å; W268-K366 HydrophobicContact CD2-CD 3.69Å; W268-K366 HydrophobicContact CE3-CD 3.71Å; W268-K366 HydrophobicContact CG-CD 4.36Å; W268-K366 HydrophobicContact CH2-CD 3.82Å; W268-K366 HydrophobicContact CH2-CG 4.34Å; W268-K366 HydrophobicContact CZ2-CD 3.8Å; W268-K366 HydrophobicContact CZ2-CG 4.06Å; W268-K366 HydrophobicContact CZ3-CD 3.8Å
269	P	97.3	Very high	97.7	Very high	57 Å²	57	42.4 Å²	42.4	37%	0.37	23%	0.228	S	C	.	.			trans	-73.8	150.9	-177	32.2	-35.9	0	0	0	111.7	N271 E272	P269-N271 VanDerWaalsContact C-N 3.28Å; P269-N271 WeakPolarHBondContact CB-OD1 3.39Å; P269-N271 PolarHBondContact O-N 2.82Å; P269-E272 WeakPolarHBondContact CD-OE2 3.23Å; P269-E272 HydrophobicContact CG-CB 3.88Å; P269-E272 PolarHBondContact O-N 2.8Å
270	S	97.7	Very high	97.6	Very high	83 Å²	83	46.1 Å²	46.1	58%	0.58	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-24.2	-175.3	56.8	0	0	0	0	114.4	E272 S283 H285	S270-E272 VanDerWaalsContact C-N 3.3Å; S270-S283 WeakPolarHBondContact O-CB 3.49Å; S270-S283 PolarHBondContact O-OG 2.64Å; S270-H285 VanDerWaalsContact CA-CD2 3.43Å; S270-H285 WeakPolarHBondContact CA-CD2 3.45Å
271	N	97.7	Very high	97.7	Very high	131 Å²	131	48.7 Å²	48.7	70%	0.701	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-8.7	178.5	66.5	-21.9	0	0	0	113.5	P269	P269-N271 VanDerWaalsContact C-N 3.28Å; P269-N271 WeakPolarHBondContact CB-OD1 3.39Å; P269-N271 PolarHBondContact O-N 2.82Å
272	E	98	Very high	97.7	Very high	55 Å²	55	48.7 Å²	48.7	26%	0.257	26%	0.258	S	S	.	.			trans	-88.1	114.2	-177.6	-175.1	172.4	173.4	0	0	112.1	W268 P269 S270 L274 S283 K366	W268-E272 WeakPolarHBondContact CZ3-OE1 3.34Å; P269-E272 WeakPolarHBondContact CD-OE2 3.23Å; P269-E272 HydrophobicContact CG-CB 3.88Å; P269-E272 PolarHBondContact O-N 2.8Å; S270-E272 VanDerWaalsContact C-N 3.3Å; E272-L274 HydrophobicContact CG-CD2 4.16Å; E272-L274 PolarHBondContact O-N 3.27Å; E272-S283 VanDerWaalsContact O-CA 3.23Å; E272-S283 WeakPolarHBondContact O-CA 3.42Å; E272-S283 WeakPolarHBondContact O-CB 3.48Å; E272-K366 IonicContact OE1-NZ 3.45Å; E272-K366 PolarHBondContact OE1-NZ 3.09Å; E272-K366 IonicContact OE2-NZ 2.97Å; E272-K366 PolarHBondContact OE2-NZ 2.78Å
273	K	98.2	Very high	97.7	Very high	100 Å²	100	48.9 Å²	48.9	44%	0.435	26%	0.259	S	S	.	.			trans	-83.4	113.8	-177.8	-59.1	172	-177.1	-179.5	0	109.9	I276 N281 Q334	K273-I276 HydrophobicContact CB-CG1 4.29Å; K273-N281 HydrophobicContact CD-CB 3.91Å; K273-N281 HydrophobicContact CG-CB 4.06Å; K273-N281 PolarHBondContact NZ-ND2 2.72Å; K273-Q334 PolarHBondContact O-NE2 2.89Å
274	L	98.5	Very high	97.7	Very high	1 Å²	1	49 Å²	49	1%	0.005	26%	0.26	C	S	.	.	S	Bend	trans	-90.6	-32.8	176.7	-54.4	-176.2	0	0	0	111.8	V226 L229 P263 W268 E272 Y282 A284 Q334 M335	V226-L274 HydrophobicContact CG2-CD2 4.24Å; L229-L274 HydrophobicContact CD2-CB 3.83Å; L229-L274 HydrophobicContact CD2-CD1 4.1Å; P263-L274 HydrophobicContact CB-CD1 3.7Å; P263-L274 HydrophobicContact CG-CD1 3.62Å; W268-L274 HydrophobicContact CE3-CD1 4.11Å; W268-L274 HydrophobicContact CE3-CD2 3.56Å; W268-L274 HydrophobicContact CE3-CG 4.41Å; W268-L274 HydrophobicContact CH2-CD2 4.33Å; W268-L274 HydrophobicContact CZ3-CD1 4.39Å; W268-L274 HydrophobicContact CZ3-CD2 3.34Å; E272-L274 HydrophobicContact CG-CD2 4.16Å; E272-L274 PolarHBondContact O-N 3.27Å; L274-Y282 PolarHBondContact N-O 3Å; L274-A284 HydrophobicContact CD1-CB 4.16Å; L274-Q334 CarbonylContact O-C 3.43Å; L274-Q334 WeakPolarHBondContact O-CA 3.27Å; L274-M335 PolarHBondContact O-N 3Å
275	I	98.6	Very high	97.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	128.4	174.4	-63	173.9	0	0	0	108.9	L229 T233 T277 N281 Y282 L290 M335 F337 F347	L229-I275 HydrophobicContact CD1-CD1 4.37Å; L229-I275 HydrophobicContact CD2-CD1 3.95Å; L229-I275 HydrophobicContact CD2-CG1 4.04Å; L229-I275 HydrophobicContact CG-CD1 4.08Å; T233-I275 HydrophobicContact CG2-CD1 4.42Å; I275-T277 HydrophobicContact CG2-CG2 3.81Å; I275-N281 CarbonylContact O-C 3.33Å; I275-N281 VanDerWaalsContact O-CA 3.3Å; I275-N281 WeakPolarHBondContact O-CA 3.44Å; I275-Y282 HydrophobicContact CB-CD2 3.92Å; I275-Y282 HydrophobicContact CG2-CD2 3.8Å; I275-Y282 HydrophobicContact CG2-CE2 4.34Å; I275-Y282 PolarHBondContact N-O 3.06Å; I275-Y282 PolarHBondContact O-N 2.92Å; I275-L290 HydrophobicContact CD1-CD1 3.65Å; I275-L290 HydrophobicContact CD1-CD2 3.57Å; I275-L290 HydrophobicContact CD1-CG 4.27Å; I275-M335 WeakPolarHBondContact CA-O 3.41Å; I275-M335 HydrophobicContact CD1-CE 3.77Å; I275-M335 HydrophobicContact CG1-CB 4.38Å; I275-M335 HydrophobicContact CG1-CE 3.41Å; I275-M335 VanDerWaalsContact CG1-CE 3.41Å; I275-M335 HydrophobicContact CG1-SD 4.46Å; I275-F337 HydrophobicContact CG2-CD2 3.78Å; I275-F337 HydrophobicContact CG2-CE2 3.78Å; I275-F347 HydrophobicContact CG2-CE2 4.1Å
276	I	98.5	Very high	97.8	Very high	44 Å²	44	54.3 Å²	54.3	23%	0.226	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	124.9	170.2	-64	-177.5	0	0	0	107.8	K273 N281 Q334 M335 I336 F337	K273-I276 HydrophobicContact CB-CG1 4.29Å; I276-N281 WeakPolarHBondContact CA-OD1 3.48Å; I276-N281 WeakPolarHBondContact CG2-OD1 3.18Å; I276-Q334 HydrophobicContact CD1-CG 4.29Å; I276-Q334 VanDerWaalsContact CD1-NE2 3.31Å; I276-Q334 HydrophobicContact CG1-CG 4.3Å; I276-M335 PolarHBondContact N-O 3.02Å; I276-I336 HydrophobicContact CB-CG1 4.4Å; I276-I336 HydrophobicContact CB-CG2 4.42Å; I276-I336 HydrophobicContact CD1-CG1 4.48Å; I276-I336 HydrophobicContact CG2-CG2 4.33Å; I276-F337 PolarHBondContact O-N 3.03Å
277	T	97.8	Very high	97.8	Very high	13 Å²	13	49.7 Å²	49.7	8%	0.08	27%	0.265	C	S	.	.			trans	-121.5	166.8	170.5	78.5	0	0	0	0	109.5	I275 N279 K280 Y282 F337 F347	I275-T277 HydrophobicContact CG2-CG2 3.81Å; T277-N279 PolarHBondContact O-N 2.84Å; T277-N279 VanDerWaalsContact O-N 3.15Å; T277-N279 PolarHBondContact OG1-N 3.29Å; T277-K280 WeakPolarHBondContact CB-O 3.43Å; T277-K280 PolarHBondContact N-O 2.89Å; T277-K280 PolarHBondContact OG1-N 2.86Å; T277-K280 PolarHBondContact OG1-O 3.14Å; T277-Y282 HydrophobicContact CG2-CE2 3.9Å; T277-F337 HydrophobicContact CG2-CB 4.27Å; T277-F337 HydrophobicContact CG2-CD2 4.28Å; T277-F347 HydrophobicContact CG2-CB 4.44Å; T277-F347 HydrophobicContact CG2-CD1 4.1Å; T277-F347 HydrophobicContact CG2-CD2 3.81Å; T277-F347 HydrophobicContact CG2-CE1 4.31Å; T277-F347 HydrophobicContact CG2-CE2 4.04Å; T277-F347 HydrophobicContact CG2-CG 3.85Å; T277-F347 HydrophobicContact CG2-CZ 4.28Å
278	P	96.3	Very high	97.9	Very high	62 Å²	62	53.7 Å²	53.7	40%	0.403	28%	0.281	S	S	.	.	S	Bend	trans	-56.6	-29.7	176.6	-26.7	35.8	0	0	0	114.2
279	N	94.8	Very high	97.9	Very high	160 Å²	160	54.9 Å²	54.9	86%	0.856	29%	0.292	S	S	*	.	S	Bend	trans	-108.1	-25.5	-171	-59.1	-25.8	0	0	0	113.2	T277	T277-N279 PolarHBondContact O-N 2.84Å; T277-N279 VanDerWaalsContact O-N 3.15Å; T277-N279 PolarHBondContact OG1-N 3.29Å
280	K	97	Very high	97.9	Very high	78 Å²	78	52.2 Å²	52.2	34%	0.339	27%	0.274	S	S	.	.			trans	-156.3	145.4	-170.1	-169.5	166.2	170.1	-167.3	0	111.9	T277 Y282 D293	T277-K280 WeakPolarHBondContact CB-O 3.43Å; T277-K280 PolarHBondContact N-O 2.89Å; T277-K280 PolarHBondContact OG1-N 2.86Å; T277-K280 PolarHBondContact OG1-O 3.14Å; K280-Y282 HydrophobicContact CB-CE2 4.18Å; K280-Y282 HydrophobicContact CD-CE1 3.67Å; K280-Y282 VanDerWaalsContact CE-CE1 3.43Å; K280-Y282 HydrophobicContact CG-CE1 3.95Å; K280-Y282 HydrophobicContact CG-CE2 4.17Å; K280-D293 IonicContact NZ-OD2 2.72Å; K280-D293 PolarHBondContact NZ-OD2 2.91Å
281	N	98.2	Very high	98	Very high	61 Å²	61	48.2 Å²	48.2	33%	0.326	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	148.6	171.7	-59.4	-42.6	0	0	0	109.1	K273 I275 I276	K273-N281 HydrophobicContact CD-CB 3.91Å; K273-N281 HydrophobicContact CG-CB 4.06Å; K273-N281 PolarHBondContact NZ-ND2 2.72Å; I275-N281 CarbonylContact O-C 3.33Å; I275-N281 VanDerWaalsContact O-CA 3.3Å; I275-N281 WeakPolarHBondContact O-CA 3.44Å; I276-N281 WeakPolarHBondContact CA-OD1 3.48Å; I276-N281 WeakPolarHBondContact CG2-OD1 3.18Å
282	Y	98.7	Very high	98	Very high	10 Å²	10	45.2 Å²	45.2	4%	0.039	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	128	179.3	-49.7	-95.4	0	0	0	110.2	L274 I275 T277 K280 D286 L290 D293 F347	L274-Y282 PolarHBondContact N-O 3Å; I275-Y282 HydrophobicContact CB-CD2 3.92Å; I275-Y282 HydrophobicContact CG2-CD2 3.8Å; I275-Y282 HydrophobicContact CG2-CE2 4.34Å; I275-Y282 PolarHBondContact N-O 3.06Å; I275-Y282 PolarHBondContact O-N 2.92Å; T277-Y282 HydrophobicContact CG2-CE2 3.9Å; K280-Y282 HydrophobicContact CB-CE2 4.18Å; K280-Y282 HydrophobicContact CD-CE1 3.67Å; K280-Y282 VanDerWaalsContact CE-CE1 3.43Å; K280-Y282 HydrophobicContact CG-CE1 3.95Å; K280-Y282 HydrophobicContact CG-CE2 4.17Å; Y282-D286 HydrophobicContact CD1-CB 4.11Å; Y282-L290 HydrophobicContact CD1-CB 3.61Å; Y282-L290 HydrophobicContact CD1-CD1 4.04Å; Y282-L290 HydrophobicContact CD1-CG 4.43Å; Y282-L290 HydrophobicContact CD2-CD1 3.87Å; Y282-L290 HydrophobicContact CE1-CB 3.99Å; Y282-L290 HydrophobicContact CE1-CD1 4.14Å; Y282-L290 HydrophobicContact CE2-CD1 3.98Å; Y282-L290 HydrophobicContact CG-CB 4.09Å; Y282-L290 HydrophobicContact CG-CD1 3.89Å; Y282-D293 WeakPolarHBondContact CE1-OD2 3.48Å; Y282-D293 PolarHBondContact OH-OD2 3.44Å; Y282-F347 HydrophobicContact CE2-CE1 4.48Å; Y282-F347 HydrophobicContact CE2-CZ 4.37Å
283	S	98.6	Very high	98	Very high	4 Å²	4	46.4 Å²	46.4	3%	0.028	24%	0.239	C	C	.	.			trans	-93.7	-180	165.8	71.8	0	0	0	0	110.9	S270 E272 H285 D286	S270-S283 WeakPolarHBondContact O-CB 3.49Å; S270-S283 PolarHBondContact O-OG 2.64Å; E272-S283 VanDerWaalsContact O-CA 3.23Å; E272-S283 WeakPolarHBondContact O-CA 3.42Å; E272-S283 WeakPolarHBondContact O-CB 3.48Å; S283-H285 PolarHBondContact O-N 2.82Å; S283-H285 PolarHBondContact OG-N 2.86Å; S283-D286 WeakPolarHBondContact CB-OD2 3.42Å; S283-D286 PolarHBondContact N-OD2 3.4Å; S283-D286 PolarHBondContact O-N 3.47Å; S283-D286 VanDerWaalsContact O-N 3.1Å; S283-D286 PolarHBondContact OG-N 3.45Å; S283-D286 PolarHBondContact OG-OD2 3.26Å
284	A	98.1	Very high	97.9	Very high	2 Å²	2	42.1 Å²	42.1	2%	0.017	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-59.5	-25.5	168.5	0	0	0	0	0	112.7	P263 P265 W268 L274 D286 L287	P263-A284 HydrophobicContact CB-CB 3.95Å; P265-A284 WeakPolarHBondContact CG-O 3.4Å; W268-A284 HydrophobicContact CB-CB 3.45Å; W268-A284 VanDerWaalsContact CB-CB 3.45Å; W268-A284 HydrophobicContact CG-CB 4.11Å; L274-A284 HydrophobicContact CD1-CB 4.16Å; A284-D286 VanDerWaalsContact C-N 3.31Å; A284-L287 WeakPolarHBondContact O-CD1 3.48Å; A284-L287 VanDerWaalsContact O-CG 3.26Å; A284-L287 WeakPolarHBondContact O-CG 3.25Å
285	H	98.3	Very high	97.8	Very high	95 Å²	95	47.1 Å²	47.1	44%	0.44	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-80.5	-15.3	178.3	-67.1	-103.6	0	0	0	112.5	P265 W268 S270 S283	P265-H285 PolarHBondContact O-CE1 2.93Å; P265-H285 VanDerWaalsContact O-CE1 3.24Å; P265-H285 PolarHBondContact O-NE2 3.03Å; W268-H285 PolarHBondContact O-CD2 3.16Å; W268-H285 PolarHBondContact O-NE2 3.3Å; S270-H285 VanDerWaalsContact CA-CD2 3.43Å; S270-H285 WeakPolarHBondContact CA-CD2 3.45Å; S283-H285 PolarHBondContact O-N 2.82Å; S283-H285 PolarHBondContact OG-N 2.86Å
286	D	98.4	Very high	97.7	Very high	62 Å²	62	48.2 Å²	48.2	33%	0.332	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-97.7	7.7	-179.9	-56.4	-64.9	0	0	0	113	Y282 S283 A284 K288 A289 L290	Y282-D286 HydrophobicContact CD1-CB 4.11Å; S283-D286 WeakPolarHBondContact CB-OD2 3.42Å; S283-D286 PolarHBondContact N-OD2 3.4Å; S283-D286 PolarHBondContact O-N 3.47Å; S283-D286 VanDerWaalsContact O-N 3.1Å; S283-D286 PolarHBondContact OG-N 3.45Å; S283-D286 PolarHBondContact OG-OD2 3.26Å; A284-D286 VanDerWaalsContact C-N 3.31Å; D286-K288 PolarHBondContact O-N 3.35Å; D286-A289 PolarHBondContact O-N 3.11Å; D286-L290 PolarHBondContact O-N 3.2Å
287	L	98.3	Very high	97.6	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-58.2	-34.3	-173.5	-72.2	177.5	0	0	0	113	L229 L262 A284 L290 F291 Y300 M303	L229-L287 HydrophobicContact CD1-CD2 3.51Å; L229-L287 HydrophobicContact CD2-CD2 4.41Å; L262-L287 HydrophobicContact CB-CD1 4.4Å; A284-L287 WeakPolarHBondContact O-CD1 3.48Å; A284-L287 VanDerWaalsContact O-CG 3.26Å; A284-L287 WeakPolarHBondContact O-CG 3.25Å; L287-L290 HydrophobicContact CD2-CD2 3.8Å; L287-L290 WeakPolarHBondContact O-CB 3.36Å; L287-L290 PolarHBondContact O-N 2.83Å; L287-F291 HydrophobicContact CB-CD2 4.35Å; L287-F291 HydrophobicContact CB-CE2 4.3Å; L287-F291 HydrophobicContact CD2-CE2 4.27Å; L287-F291 WeakPolarHBondContact O-CB 3.39Å; L287-F291 WeakPolarHBondContact O-CD2 3.36Å; L287-F291 PolarHBondContact O-N 2.82Å; L287-Y300 HydrophobicContact CB-CD2 4.14Å; L287-Y300 HydrophobicContact CB-CE2 4.44Å; L287-M303 HydrophobicContact CB-CE 4.42Å; L287-M303 HydrophobicContact CD1-CE 4.03Å; L287-M303 HydrophobicContact CD1-SD 3.5Å; L287-M303 VanDerWaalsContact CD1-SD 3.5Å
288	K	98.3	Very high	97.6	Very high	104 Å²	104	51.8 Å²	51.8	45%	0.452	28%	0.281	S	S	.	.	H	α-helix	trans	-58.7	-52.7	173.7	-171.7	-175.7	177.4	-60.3	0	111	D286 L290 F291 D292 Y300	D286-K288 PolarHBondContact O-N 3.35Å; K288-L290 VanDerWaalsContact C-N 3.31Å; K288-L290 PolarHBondContact O-N 3.42Å; K288-F291 PolarHBondContact O-N 2.99Å; K288-D292 IonicContact NZ-OD2 3.7Å; K288-D292 PolarHBondContact NZ-OD2 3.47Å; K288-D292 VanDerWaalsContact O-CG 3.3Å; K288-D292 PolarHBondContact O-N 3.14Å; K288-Y300 VanDerWaalsContact CA-CD2 3.49Å; K288-Y300 HydrophobicContact CB-CD1 3.91Å; K288-Y300 HydrophobicContact CB-CD2 3.77Å; K288-Y300 HydrophobicContact CB-CE1 3.81Å; K288-Y300 HydrophobicContact CB-CE2 3.67Å; K288-Y300 HydrophobicContact CB-CG 3.88Å; K288-Y300 HydrophobicContact CD-CD1 4.3Å; K288-Y300 HydrophobicContact CD-CE1 4Å; K288-Y300 HydrophobicContact CG-CD1 3.75Å; K288-Y300 HydrophobicContact CG-CD2 4.47Å; K288-Y300 HydrophobicContact CG-CE1 3.83Å; K288-Y300 HydrophobicContact CG-CG 4.08Å; K288-Y300 VanDerWaalsContact N-CD2 3.35Å
289	A	98.3	Very high	97.6	Very high	29 Å²	29	48.8 Å²	48.8	24%	0.24	26%	0.262	C	S	.	.	H	α-helix	trans	-64.5	-38.8	-178.2	0	0	0	0	0	111.2	D286 D292 D293	D286-A289 PolarHBondContact O-N 3.11Å; A289-D292 PolarHBondContact O-N 2.91Å; A289-D293 WeakPolarHBondContact O-CB 3.41Å; A289-D293 PolarHBondContact O-N 3.22Å
290	L	98.3	Very high	97.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-56.1	-51.4	172.5	174.5	69.6	0	0	0	111.9	L229 I275 Y282 D286 L287 K288 D292 D293 I294 F347	L229-L290 HydrophobicContact CD1-CD2 3.56Å; I275-L290 HydrophobicContact CD1-CD1 3.65Å; I275-L290 HydrophobicContact CD1-CD2 3.57Å; I275-L290 HydrophobicContact CD1-CG 4.27Å; Y282-L290 HydrophobicContact CD1-CB 3.61Å; Y282-L290 HydrophobicContact CD1-CD1 4.04Å; Y282-L290 HydrophobicContact CD1-CG 4.43Å; Y282-L290 HydrophobicContact CD2-CD1 3.87Å; Y282-L290 HydrophobicContact CE1-CB 3.99Å; Y282-L290 HydrophobicContact CE1-CD1 4.14Å; Y282-L290 HydrophobicContact CE2-CD1 3.98Å; Y282-L290 HydrophobicContact CG-CB 4.09Å; Y282-L290 HydrophobicContact CG-CD1 3.89Å; D286-L290 PolarHBondContact O-N 3.2Å; L287-L290 HydrophobicContact CD2-CD2 3.8Å; L287-L290 WeakPolarHBondContact O-CB 3.36Å; L287-L290 PolarHBondContact O-N 2.83Å; K288-L290 VanDerWaalsContact C-N 3.31Å; K288-L290 PolarHBondContact O-N 3.42Å; L290-D292 VanDerWaalsContact C-N 3.32Å; L290-D292 PolarHBondContact O-N 2.72Å; L290-D293 PolarHBondContact O-N 2.99Å; L290-D293 VanDerWaalsContact O-N 3.16Å; L290-I294 HydrophobicContact CD1-CG2 4.25Å; L290-I294 WeakPolarHBondContact O-CG1 3.44Å; L290-I294 PolarHBondContact O-N 3.07Å; L290-F347 HydrophobicContact CD1-CE1 4.5Å; L290-F347 HydrophobicContact CD1-CZ 3.65Å
291	F	98.3	Very high	97.7	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-68.6	-32.2	-175.8	-79.5	-58.2	0	0	0	112.8	L229 E232 L262 L287 K288 I294 S295 F296 A299	L229-F291 HydrophobicContact CD1-CZ 4.45Å; E232-F291 HydrophobicContact CB-CE1 4.07Å; E232-F291 HydrophobicContact CB-CZ 4.18Å; L262-F291 HydrophobicContact CD1-CE2 3.52Å; L262-F291 HydrophobicContact CD1-CZ 3.57Å; L262-F291 HydrophobicContact CD2-CZ 4.11Å; L287-F291 HydrophobicContact CB-CD2 4.35Å; L287-F291 HydrophobicContact CB-CE2 4.3Å; L287-F291 HydrophobicContact CD2-CE2 4.27Å; L287-F291 WeakPolarHBondContact O-CB 3.39Å; L287-F291 WeakPolarHBondContact O-CD2 3.36Å; L287-F291 PolarHBondContact O-N 2.82Å; K288-F291 PolarHBondContact O-N 2.99Å; F291-I294 HydrophobicContact CD1-CD1 3.67Å; F291-I294 HydrophobicContact CD1-CG1 4.16Å; F291-I294 HydrophobicContact CE1-CD1 3.91Å; F291-S295 PolarHBondContact O-N 3.05Å; F291-F296 WeakPolarHBondContact CB-O 3.47Å; F291-F296 HydrophobicContact CD1-CB 4.48Å; F291-F296 HydrophobicContact CD1-CD1 4.17Å; F291-F296 WeakPolarHBondContact CD1-O 3.46Å; F291-F296 HydrophobicContact CE1-CD1 4.27Å; F291-F296 CarbonylContact O-C 3.55Å; F291-F296 VanDerWaalsContact O-C 3.24Å; F291-F296 PolarHBondContact O-N 3.41Å; F291-A299 HydrophobicContact CD1-CB 3.51Å; F291-A299 HydrophobicContact CD2-CB 4.03Å; F291-A299 HydrophobicContact CE1-CB 3.36Å; F291-A299 HydrophobicContact CE2-CB 3.91Å; F291-A299 HydrophobicContact CG-CB 3.87Å; F291-A299 HydrophobicContact CZ-CB 3.59Å
292	D	98.2	Very high	97.6	Very high	68 Å²	68	40.4 Å²	40.4	36%	0.364	22%	0.221	S	C	.	.	H	α-helix	trans	-62.9	-49.2	168.3	-66.2	-26.7	0	0	0	110.3	K288 A289 L290 I294 S295 P297	K288-D292 IonicContact NZ-OD2 3.7Å; K288-D292 PolarHBondContact NZ-OD2 3.47Å; K288-D292 VanDerWaalsContact O-CG 3.3Å; K288-D292 PolarHBondContact O-N 3.14Å; A289-D292 PolarHBondContact O-N 2.91Å; L290-D292 VanDerWaalsContact C-N 3.32Å; L290-D292 PolarHBondContact O-N 2.72Å; D292-I294 VanDerWaalsContact C-N 3.31Å; D292-I294 PolarHBondContact O-N 2.86Å; D292-S295 PolarHBondContact O-N 2.97Å; D292-P297 WeakPolarHBondContact OD1-CB 3.26Å
293	D	97.6	Very high	97.5	Very high	80 Å²	80	40.1 Å²	40.1	43%	0.428	22%	0.22	S	C	.	.	H	α-helix	trans	-64.6	-29.8	-177	-69.7	-25.9	0	0	0	113.3	K280 Y282 A289 L290 S295	K280-D293 IonicContact NZ-OD2 2.72Å; K280-D293 PolarHBondContact NZ-OD2 2.91Å; Y282-D293 WeakPolarHBondContact CE1-OD2 3.48Å; Y282-D293 PolarHBondContact OH-OD2 3.44Å; A289-D293 WeakPolarHBondContact O-CB 3.41Å; A289-D293 PolarHBondContact O-N 3.22Å; L290-D293 PolarHBondContact O-N 2.99Å; L290-D293 VanDerWaalsContact O-N 3.16Å; D293-S295 VanDerWaalsContact C-N 3.35Å
294	I	96.8	Very high	97.4	Very high	9 Å²	9	44.8 Å²	44.8	5%	0.046	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	10.4	175.6	72.7	-179.6	0	0	0	113.7	L290 F291 D292 F296 F347 P348	L290-I294 HydrophobicContact CD1-CG2 4.25Å; L290-I294 WeakPolarHBondContact O-CG1 3.44Å; L290-I294 PolarHBondContact O-N 3.07Å; F291-I294 HydrophobicContact CD1-CD1 3.67Å; F291-I294 HydrophobicContact CD1-CG1 4.16Å; F291-I294 HydrophobicContact CE1-CD1 3.91Å; D292-I294 VanDerWaalsContact C-N 3.31Å; D292-I294 PolarHBondContact O-N 2.86Å; I294-F296 VanDerWaalsContact C-N 3.28Å; I294-F296 HydrophobicContact CG1-CB 4.14Å; I294-F296 PolarHBondContact O-N 3.4Å; I294-F347 HydrophobicContact CG2-CE1 3.52Å; I294-F347 HydrophobicContact CG2-CE2 4.34Å; I294-F347 HydrophobicContact CG2-CZ 3.39Å; I294-P348 HydrophobicContact CB-CB 4.23Å; I294-P348 HydrophobicContact CB-CG 3.91Å; I294-P348 HydrophobicContact CG2-CB 3.71Å; I294-P348 HydrophobicContact CG2-CG 3.85Å
295	S	96.5	Very high	97.2	Very high	107 Å²	107	46.5 Å²	46.5	75%	0.748	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	38.5	-179.2	-55.5	0	0	0	0	113.5	F291 D292 D293	F291-S295 PolarHBondContact O-N 3.05Å; D292-S295 PolarHBondContact O-N 2.97Å; D293-S295 VanDerWaalsContact C-N 3.35Å
296	F	97	Very high	97	Very high	23 Å²	23	42 Å²	42	10%	0.101	23%	0.232	C	C	.	.			trans	-137.2	56.2	175.2	-169.6	-130.2	0	0	0	112.6	E232 R253 F291 I294 Q298 A299	E232-F296 VanDerWaalsContact OE2-CE1 3.25Å; E232-F296 WeakPolarHBondContact OE2-CE1 3.25Å; R253-F296 HydrophobicContact CB-CD1 4.46Å; R253-F296 HydrophobicContact CB-CE1 3.7Å; R253-F296 HydrophobicContact CB-CE2 4.35Å; R253-F296 HydrophobicContact CB-CZ 3.67Å; R253-F296 HydrophobicContact CG-CD1 3.88Å; R253-F296 HydrophobicContact CG-CE1 3.53Å; R253-F296 HydrophobicContact CG-CZ 4.01Å; R253-F296 WeakPolarHBondContact O-CZ 3.27Å; F291-F296 WeakPolarHBondContact CB-O 3.47Å; F291-F296 HydrophobicContact CD1-CB 4.48Å; F291-F296 HydrophobicContact CD1-CD1 4.17Å; F291-F296 WeakPolarHBondContact CD1-O 3.46Å; F291-F296 HydrophobicContact CE1-CD1 4.27Å; F291-F296 CarbonylContact O-C 3.55Å; F291-F296 VanDerWaalsContact O-C 3.24Å; F291-F296 PolarHBondContact O-N 3.41Å; I294-F296 VanDerWaalsContact C-N 3.28Å; I294-F296 HydrophobicContact CG1-CB 4.14Å; I294-F296 PolarHBondContact O-N 3.4Å; F296-Q298 HydrophobicContact CD2-CB 4.3Å; F296-Q298 HydrophobicContact CE2-CB 3.92Å; F296-Q298 HydrophobicContact CE2-CG 4.23Å; F296-Q298 HydrophobicContact CZ-CB 4.41Å; F296-Q298 HydrophobicContact CZ-CG 4.43Å; F296-Q298 PolarHBondContact O-N 3.31Å; F296-A299 HydrophobicContact CD1-CB 3.59Å; F296-A299 HydrophobicContact CE1-CB 3.45Å; F296-A299 VanDerWaalsContact CE1-CB 3.45Å; F296-A299 HydrophobicContact CZ-CB 4.3Å; F296-A299 PolarHBondContact O-N 2.71Å
297	P	96.8	Very high	96.9	Very high	71 Å²	71	39.9 Å²	39.9	46%	0.461	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.5	-175.4	26.5	-36.8	0	0	0	113.7	D292 A299 Y300 A301	D292-P297 WeakPolarHBondContact OD1-CB 3.26Å; P297-A299 VanDerWaalsContact C-N 3.3Å; P297-A299 PolarHBondContact O-N 2.83Å; P297-Y300 PolarHBondContact O-N 3.19Å; P297-A301 PolarHBondContact O-N 3.45Å
298	Q	96.1	Very high	96.6	Very high	60 Å²	60	44.3 Å²	44.3	28%	0.28	25%	0.251	S	S	.	.	H	α-helix	trans	-57.2	-37.6	179	170	169.2	67.7	0	0	113.3	Y88 F296 Y300 A301 I302	Y88-Q298 VanDerWaalsContact CB-NE2 3.35Å; Y88-Q298 HydrophobicContact CD1-CG 4.14Å; Y88-Q298 HydrophobicContact CE1-CG 4.43Å; F296-Q298 HydrophobicContact CD2-CB 4.3Å; F296-Q298 HydrophobicContact CE2-CB 3.92Å; F296-Q298 HydrophobicContact CE2-CG 4.23Å; F296-Q298 HydrophobicContact CZ-CB 4.41Å; F296-Q298 HydrophobicContact CZ-CG 4.43Å; F296-Q298 PolarHBondContact O-N 3.31Å; Q298-Y300 VanDerWaalsContact C-N 3.28Å; Q298-Y300 PolarHBondContact O-N 2.8Å; Q298-A301 PolarHBondContact O-N 2.88Å; Q298-A301 VanDerWaalsContact O-N 3.17Å; Q298-I302 HydrophobicContact CG-CD1 3.65Å; Q298-I302 HydrophobicContact CG-CG1 4.22Å; Q298-I302 WeakPolarHBondContact O-CG1 3.2Å; Q298-I302 PolarHBondContact O-N 3.43Å
299	A	97.2	Very high	96.3	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.9	-40.3	178	0	0	0	0	0	112.3	F291 F296 P297 I302 M303	F291-A299 HydrophobicContact CD1-CB 3.51Å; F291-A299 HydrophobicContact CD2-CB 4.03Å; F291-A299 HydrophobicContact CE1-CB 3.36Å; F291-A299 HydrophobicContact CE2-CB 3.91Å; F291-A299 HydrophobicContact CG-CB 3.87Å; F291-A299 HydrophobicContact CZ-CB 3.59Å; F296-A299 HydrophobicContact CD1-CB 3.59Å; F296-A299 HydrophobicContact CE1-CB 3.45Å; F296-A299 VanDerWaalsContact CE1-CB 3.45Å; F296-A299 HydrophobicContact CZ-CB 4.3Å; F296-A299 PolarHBondContact O-N 2.71Å; P297-A299 VanDerWaalsContact C-N 3.3Å; P297-A299 PolarHBondContact O-N 2.83Å; A299-I302 PolarHBondContact O-N 2.94Å; A299-M303 VanDerWaalsContact O-CB 3.27Å; A299-M303 WeakPolarHBondContact O-CB 3.44Å; A299-M303 PolarHBondContact O-N 3.45Å
300	Y	97.2	Very high	95.9	Very high	76 Å²	76	40.4 Å²	40.4	30%	0.298	23%	0.231	S	C	.	.	H	α-helix	trans	-65.6	-40.4	177.6	-175.3	-100.4	0	0	0	112	L287 K288 P297 Q298 M303 N304	L287-Y300 HydrophobicContact CB-CD2 4.14Å; L287-Y300 HydrophobicContact CB-CE2 4.44Å; K288-Y300 VanDerWaalsContact CA-CD2 3.49Å; K288-Y300 HydrophobicContact CB-CD1 3.91Å; K288-Y300 HydrophobicContact CB-CD2 3.77Å; K288-Y300 HydrophobicContact CB-CE1 3.81Å; K288-Y300 HydrophobicContact CB-CE2 3.67Å; K288-Y300 HydrophobicContact CB-CG 3.88Å; K288-Y300 HydrophobicContact CD-CD1 4.3Å; K288-Y300 HydrophobicContact CD-CE1 4Å; K288-Y300 HydrophobicContact CG-CD1 3.75Å; K288-Y300 HydrophobicContact CG-CD2 4.47Å; K288-Y300 HydrophobicContact CG-CE1 3.83Å; K288-Y300 HydrophobicContact CG-CG 4.08Å; K288-Y300 VanDerWaalsContact N-CD2 3.35Å; P297-Y300 PolarHBondContact O-N 3.19Å; Q298-Y300 VanDerWaalsContact C-N 3.28Å; Q298-Y300 PolarHBondContact O-N 2.8Å; Y300-M303 HydrophobicContact CD2-CE 3.66Å; Y300-M303 HydrophobicContact CE2-CE 3.61Å; Y300-M303 PolarHBondContact O-N 3.14Å; Y300-N304 WeakPolarHBondContact O-CB 3.25Å; Y300-N304 PolarHBondContact O-N 3Å
301	A	95.9	Very high	95.7	Very high	40 Å²	40	42.9 Å²	42.9	33%	0.331	25%	0.245	S	C	.	.	H	α-helix	trans	-61.6	-48.4	176.2	0	0	0	0	0	111.5	P297 Q298 M303 N304 E305	P297-A301 PolarHBondContact O-N 3.45Å; Q298-A301 PolarHBondContact O-N 2.88Å; Q298-A301 VanDerWaalsContact O-N 3.17Å; A301-M303 PolarHBondContact O-N 2.94Å; A301-N304 PolarHBondContact O-N 2.84Å; A301-E305 WeakPolarHBondContact O-CG 3.32Å; A301-E305 PolarHBondContact O-N 3.28Å; A301-E305 VanDerWaalsContact O-N 3.15Å
302	I	97.3	Very high	95.6	Very high	6 Å²	6	42.9 Å²	42.9	3%	0.031	25%	0.245	C	C	.	.	H	α-helix	trans	-62.1	-44.8	176.9	-63.7	170.4	0	0	0	110.6	Y88 P256 A259 Q298 A299 N304 E305 T306	Y88-I302 HydrophobicContact CD2-CD1 3.73Å; Y88-I302 HydrophobicContact CD2-CG1 3.82Å; Y88-I302 HydrophobicContact CE1-CG1 4.33Å; Y88-I302 HydrophobicContact CE2-CD1 4Å; Y88-I302 HydrophobicContact CE2-CG1 3.52Å; Y88-I302 HydrophobicContact CG-CD1 4.02Å; Y88-I302 HydrophobicContact CG-CG1 4.38Å; P256-I302 HydrophobicContact CB-CG2 3.79Å; A259-I302 HydrophobicContact CB-CB 3.85Å; A259-I302 HydrophobicContact CB-CG2 3.61Å; Q298-I302 HydrophobicContact CG-CD1 3.65Å; Q298-I302 HydrophobicContact CG-CG1 4.22Å; Q298-I302 WeakPolarHBondContact O-CG1 3.2Å; Q298-I302 PolarHBondContact O-N 3.43Å; A299-I302 PolarHBondContact O-N 2.94Å; I302-N304 VanDerWaalsContact C-N 3.33Å; I302-N304 PolarHBondContact O-N 2.97Å; I302-E305 PolarHBondContact O-N 3.28Å; I302-T306 HydrophobicContact CG2-CG2 3.95Å; I302-T306 WeakPolarHBondContact O-CB 3.5Å; I302-T306 WeakPolarHBondContact O-CG2 3.34Å; I302-T306 PolarHBondContact O-N 2.86Å; I302-T306 PolarHBondContact O-OG1 2.82Å
303	M	97	Very high	95.5	Very high	5 Å²	5	42.7 Å²	42.7	3%	0.025	24%	0.239	C	C	.	.	H	α-helix	trans	-58	-46	178.1	-176.7	-167.9	74.5	0	0	111.3	A259 L262 L287 A299 Y300 A301 E305 T306 K307	A259-M303 HydrophobicContact CB-CB 4.5Å; A259-M303 WeakPolarHBondContact O-CG 3.48Å; L262-M303 HydrophobicContact CB-CG 4.23Å; L262-M303 HydrophobicContact CB-SD 3.76Å; L262-M303 HydrophobicContact CD1-CB 4.13Å; L262-M303 HydrophobicContact CD1-CG 4.19Å; L262-M303 HydrophobicContact CD1-SD 3.88Å; L287-M303 HydrophobicContact CB-CE 4.42Å; L287-M303 HydrophobicContact CD1-CE 4.03Å; L287-M303 HydrophobicContact CD1-SD 3.5Å; L287-M303 VanDerWaalsContact CD1-SD 3.5Å; A299-M303 VanDerWaalsContact O-CB 3.27Å; A299-M303 WeakPolarHBondContact O-CB 3.44Å; A299-M303 PolarHBondContact O-N 3.45Å; Y300-M303 HydrophobicContact CD2-CE 3.66Å; Y300-M303 HydrophobicContact CE2-CE 3.61Å; Y300-M303 PolarHBondContact O-N 3.14Å; A301-M303 PolarHBondContact O-N 2.94Å; M303-E305 VanDerWaalsContact C-N 3.35Å; M303-E305 PolarHBondContact O-N 3.39Å; M303-T306 WeakPolarHBondContact CA-OG1 3.26Å; M303-T306 PolarHBondContact O-N 2.84Å; M303-T306 PolarHBondContact O-OG1 3.35Å; M303-K307 HydrophobicContact CG-CD 3.65Å; M303-K307 HydrophobicContact CG-CG 4.02Å; M303-K307 VanDerWaalsContact O-CB 3.25Å; M303-K307 WeakPolarHBondContact O-CB 3.37Å; M303-K307 WeakPolarHBondContact O-CG 3.35Å; M303-K307 PolarHBondContact O-N 2.87Å; M303-K307 HydrophobicContact SD-CD 4.16Å
304	N	94.9	Very high	95.4	Very high	101 Å²	101	44.3 Å²	44.3	54%	0.54	24%	0.244	S	C	.	.	H	α-helix	trans	-63.4	-42	-178.7	-165.8	41.8	0	0	0	111.9	Y300 A301 I302	Y300-N304 WeakPolarHBondContact O-CB 3.25Å; Y300-N304 PolarHBondContact O-N 3Å; A301-N304 PolarHBondContact O-N 2.84Å; I302-N304 VanDerWaalsContact C-N 3.33Å; I302-N304 PolarHBondContact O-N 2.97Å
305	E	94	Very high	95.3	Very high	38 Å²	38	45.6 Å²	45.6	18%	0.178	25%	0.248	C	C	.	.	H	α-helix	trans	-63.6	-46.9	176	-69.4	168.3	175.7	0	0	111.4	Y88 K93 A301 I302 M303 S308	Y88-E305 PolarHBondContact OH-OE1 2.96Å; Y88-E305 PolarHBondContact OH-OE2 2.86Å; K93-E305 WeakPolarHBondContact CD-OE1 3.38Å; K93-E305 VanDerWaalsContact CE-OE1 3.28Å; K93-E305 WeakPolarHBondContact CE-OE1 3.45Å; K93-E305 VanDerWaalsContact CG-OE1 3.28Å; K93-E305 WeakPolarHBondContact CG-OE1 3.32Å; K93-E305 IonicContact NZ-OE1 3.13Å; K93-E305 PolarHBondContact NZ-OE1 3.42Å; A301-E305 WeakPolarHBondContact O-CG 3.32Å; A301-E305 PolarHBondContact O-N 3.28Å; A301-E305 VanDerWaalsContact O-N 3.15Å; I302-E305 PolarHBondContact O-N 3.28Å; M303-E305 VanDerWaalsContact C-N 3.35Å; M303-E305 PolarHBondContact O-N 3.39Å; E305-S308 PolarHBondContact O-OG 2.03Å
306	T	95.8	Very high	95.3	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-79.1	-31.3	-172.6	56.4	0	0	0	0	112.9	A157 F260 I302 M303 S308 V309	A157-T306 HydrophobicContact CB-CG2 3.36Å; F260-T306 WeakPolarHBondContact CA-OG1 3.39Å; F260-T306 HydrophobicContact CB-CG2 4.44Å; F260-T306 WeakPolarHBondContact CD2-O 3.39Å; F260-T306 VanDerWaalsContact CE2-O 3.26Å; F260-T306 WeakPolarHBondContact CE2-O 3.45Å; I302-T306 HydrophobicContact CG2-CG2 3.95Å; I302-T306 WeakPolarHBondContact O-CB 3.5Å; I302-T306 WeakPolarHBondContact O-CG2 3.34Å; I302-T306 PolarHBondContact O-N 2.86Å; I302-T306 PolarHBondContact O-OG1 2.82Å; M303-T306 WeakPolarHBondContact CA-OG1 3.26Å; M303-T306 PolarHBondContact O-N 2.84Å; M303-T306 PolarHBondContact O-OG1 3.35Å; T306-S308 VanDerWaalsContact C-N 3.32Å; T306-S308 PolarHBondContact O-N 2.9Å; T306-V309 WeakPolarHBondContact O-CG1 3.28Å; T306-V309 WeakPolarHBondContact O-CG2 3.06Å; T306-V309 PolarHBondContact O-N 3.11Å
307	K	95.2	Very high	95.2	Very high	18 Å²	18	43.3 Å²	43.3	8%	0.078	23%	0.232	C	C	.	.	H	α-helix	trans	-72.8	-21.7	176.4	-76.2	-169.9	174.4	-62.1	0	113.9	F260 L262 D264 R266 M303 V309	F260-K307 PolarHBondContact O-NZ 2.64Å; L262-K307 WeakPolarHBondContact O-CE 3.12Å; L262-K307 PolarHBondContact O-NZ 2.95Å; D264-K307 HydrophobicContact CB-CD 4.3Å; D264-K307 WeakPolarHBondContact OD2-CD 3.5Å; D264-K307 IonicContact OD2-NZ 3.48Å; D264-K307 PolarHBondContact OD2-NZ 2.82Å; R266-K307 PolarHBondContact NH2-O 2.86Å; M303-K307 HydrophobicContact CG-CD 3.65Å; M303-K307 HydrophobicContact CG-CG 4.02Å; M303-K307 VanDerWaalsContact O-CB 3.25Å; M303-K307 WeakPolarHBondContact O-CB 3.37Å; M303-K307 WeakPolarHBondContact O-CG 3.35Å; M303-K307 PolarHBondContact O-N 2.87Å; M303-K307 HydrophobicContact SD-CD 4.16Å; K307-V309 PolarHBondContact O-N 3.09Å
308	S	91.8	Very high	95.1	Very high	94 Å²	94	43.6 Å²	43.6	66%	0.657	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-8.3	176.4	69.1	0	0	0	0	114.6	E305 T306 F310	E305-S308 PolarHBondContact O-OG 2.03Å; T306-S308 VanDerWaalsContact C-N 3.32Å; T306-S308 PolarHBondContact O-N 2.9Å; S308-F310 VanDerWaalsContact C-N 3.28Å; S308-F310 PolarHBondContact O-N 2.83Å
309	V	91.8	Very high	95.1	Very high	35 Å²	35	41.6 Å²	41.6	21%	0.212	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-21.2	-175	-57.7	0	0	0	0	113.9	N159 Y198 F260 T306 K307	N159-V309 HydrophobicContact CB-CG1 4.14Å; Y198-V309 HydrophobicContact CD2-CB 3.77Å; Y198-V309 HydrophobicContact CD2-CG2 3.99Å; Y198-V309 HydrophobicContact CE2-CB 3.72Å; Y198-V309 HydrophobicContact CE2-CG1 4.24Å; Y198-V309 HydrophobicContact CE2-CG2 4.41Å; F260-V309 HydrophobicContact CE2-CG2 4.07Å; F260-V309 HydrophobicContact CZ-CG2 4.38Å; T306-V309 WeakPolarHBondContact O-CG1 3.28Å; T306-V309 WeakPolarHBondContact O-CG2 3.06Å; T306-V309 PolarHBondContact O-N 3.11Å; K307-V309 PolarHBondContact O-N 3.09Å
310	F	90.1	Very high	95.1	Very high	17 Å²	17	44.5 Å²	44.5	8%	0.075	24%	0.236	C	C	.	.			trans	-159.9	162.2	169	58.4	-111.4	0	0	0	112	L194 M197 K201 F260 R266 S308	L194-F310 HydrophobicContact CB-CE1 4.23Å; L194-F310 HydrophobicContact CB-CZ 4.06Å; L194-F310 HydrophobicContact CD1-CZ 4.43Å; L194-F310 HydrophobicContact CD2-CZ 3.99Å; L194-F310 HydrophobicContact CG-CZ 4.37Å; M197-F310 HydrophobicContact CE-CB 4.12Å; M197-F310 HydrophobicContact CE-CD1 3.83Å; M197-F310 HydrophobicContact CE-CD2 3.02Å; M197-F310 HydrophobicContact CE-CE1 3.96Å; M197-F310 HydrophobicContact CE-CE2 3.19Å; M197-F310 HydrophobicContact CE-CG 3.39Å; M197-F310 HydrophobicContact CE-CZ 3.67Å; K201-F310 HydrophobicContact CD-CB 4.01Å; F260-F310 HydrophobicContact CE2-CZ 4.45Å; F260-F310 AromaticContact CZ-CE1 3.84Å; F260-F310 HydrophobicContact CZ-CE1 3.84Å; F260-F310 AromaticContact CZ-CZ 3.85Å; F260-F310 HydrophobicContact CZ-CZ 3.85Å; R266-F310 PolarHBondContact NH1-O 3.27Å; R266-F310 PolarHBondContact NH2-O 3.16Å; S308-F310 VanDerWaalsContact C-N 3.28Å; S308-F310 PolarHBondContact O-N 2.83Å
311	D	94.9	Very high	95.1	Very high	52 Å²	52	40.9 Å²	40.9	28%	0.278	22%	0.222	S	C	.	.			trans	-85.4	127	162	-165.3	-40.3	0	0	0	110.6	K201 Y313 E314	K201-D311 PolarHBondContact NZ-O 3.19Å; D311-Y313 VanDerWaalsContact C-N 3.27Å; D311-Y313 PolarHBondContact O-N 2.86Å; D311-Y313 WeakPolarHBondContact OD1-CB 3.3Å; D311-Y313 PolarHBondContact OD1-N 2.86Å; D311-E314 HydrophobicContact CB-CB 4.2Å; D311-E314 HydrophobicContact CB-CG 3.92Å; D311-E314 PolarHBondContact O-N 3.46Å
312	P	95.4	Very high	95.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-23.4	177	30.6	-38.5	0	0	0	113.7	F222 V267 E314 V370 W374	F222-P312 HydrophobicContact CB-CB 4.32Å; F222-P312 WeakPolarHBondContact O-CB 3.42Å; V267-P312 HydrophobicContact CG2-CB 4.43Å; V267-P312 HydrophobicContact CG2-CG 3.85Å; P312-E314 VanDerWaalsContact C-N 3.27Å; P312-E314 PolarHBondContact O-N 3.43Å; P312-V370 HydrophobicContact CB-CG1 4.14Å; P312-V370 WeakPolarHBondContact O-CG1 3.42Å; P312-W374 PolarHBondContact O-NE1 3.05Å
313	Y	96.6	Very high	95.3	Very high	64 Å²	64	40 Å²	40	25%	0.251	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-0.3	176.2	-67.1	-61.2	0	0	0	114.1	R266 V267 D311 V370 K373 W374	R266-Y313 WeakPolarHBondContact O-CE2 3.25Å; V267-Y313 WeakPolarHBondContact CA-OH 3.37Å; V267-Y313 HydrophobicContact CG2-CE2 4.1Å; D311-Y313 VanDerWaalsContact C-N 3.27Å; D311-Y313 PolarHBondContact O-N 2.86Å; D311-Y313 WeakPolarHBondContact OD1-CB 3.3Å; D311-Y313 PolarHBondContact OD1-N 2.86Å; Y313-V370 HydrophobicContact CD1-CG1 3.68Å; Y313-V370 HydrophobicContact CE1-CG1 3.73Å; Y313-V370 HydrophobicContact CG-CG1 4.46Å; Y313-K373 HydrophobicContact CD1-CB 4.14Å; Y313-K373 HydrophobicContact CD1-CD 4.09Å; Y313-K373 HydrophobicContact CE1-CB 4.42Å; Y313-K373 HydrophobicContact CE1-CD 3.6Å; Y313-K373 HydrophobicContact CE1-CG 4.36Å; Y313-K373 PolarHBondContact OH-NZ 2.87Å; Y313-W374 VanDerWaalsContact C-CD1 3.44Å; Y313-W374 PolarHBondContact O-NE1 3.47Å
314	E	95.3	Very high	95.4	Very high	114 Å²	114	39.8 Å²	39.8	53%	0.533	21%	0.209	S	C	.	.			trans	-108.6	120.3	175.3	-71.8	175.9	176.6	0	0	110	K201 D311 P312	K201-E314 WeakPolarHBondContact CE-O 3.47Å; K201-E314 PolarHBondContact NZ-O 2.88Å; K201-E314 IonicContact NZ-OE2 2.72Å; K201-E314 PolarHBondContact NZ-OE2 2.82Å; D311-E314 HydrophobicContact CB-CB 4.2Å; D311-E314 HydrophobicContact CB-CG 3.92Å; D311-E314 PolarHBondContact O-N 3.46Å; P312-E314 VanDerWaalsContact C-N 3.27Å; P312-E314 PolarHBondContact O-N 3.43Å
315	R	95.4	Very high	95.6	Very high	36 Å²	36	35.5 Å²	35.5	14%	0.136	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-72.9	160	170.1	62.7	174	-72.8	145.2	-13	112.1	T317 I319 V321 W374 Y376	R315-T317 PolarHBondContact O-N 3.32Å; R315-I319 PolarHBondContact NH2-O 3.33Å; R315-V321 VanDerWaalsContact CZ-CG2 3.45Å; R315-V321 VanDerWaalsContact NH2-N 3.18Å; R315-W374 HydrophobicContact CB-CB 4.27Å; R315-W374 HydrophobicContact CB-CD2 3.58Å; R315-W374 HydrophobicContact CB-CE3 3.7Å; R315-W374 HydrophobicContact CB-CG 3.88Å; R315-W374 HydrophobicContact CB-CZ3 4.22Å; R315-W374 HydrophobicContact CG-CB 4.41Å; R315-W374 HydrophobicContact CG-CG 4.48Å; R315-Y376 WeakPolarHBondContact CD-O 3.41Å; R315-Y376 PolarHBondContact NH1-O 3.19Å
316	P	95	Very high	95.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-57.3	131.7	158.4	-22.9	34.4	0	0	0	111.1	M197 L200 K201 F215 I319	M197-P316 HydrophobicContact CG-CG 3.79Å; L200-P316 HydrophobicContact CB-CB 4.04Å; L200-P316 HydrophobicContact CB-CG 4.19Å; L200-P316 HydrophobicContact CD1-CG 4.49Å; K201-P316 HydrophobicContact CG-CG 4.48Å; F215-P316 HydrophobicContact CD1-CG 4.22Å; P316-I319 HydrophobicContact CB-CD1 3.78Å; P316-I319 HydrophobicContact CB-CG1 4.13Å
317	T	95.1	Very high	95.8	Very high	82 Å²	82	35 Å²	35	50%	0.503	18%	0.184	S	C	.	.	S	Bend	trans	-81.8	164.1	178.3	66.9	0	0	0	0	111.8	K208 R315 I319	K208-T317 WeakPolarHBondContact CE-O 3.39Å; K208-T317 PolarHBondContact NZ-O 2.99Å; K208-T317 PolarHBondContact NZ-OG1 3.25Å; R315-T317 PolarHBondContact O-N 3.32Å; T317-I319 PolarHBondContact O-N 3.46Å; T317-I319 VanDerWaalsContact O-N 3.1Å
318	D	95.3	Very high	96	Very high	77 Å²	77	37.9 Å²	37.9	41%	0.412	20%	0.2	S	C	.	.	S	Bend	trans	61.6	17.2	168.2	-47.5	-78.3	0	0	0	116.4	K205 K208	K205-D318 HydrophobicContact CD-CB 4.46Å; K205-D318 WeakPolarHBondContact CD-OD1 2.99Å; K205-D318 VanDerWaalsContact CE-OD1 3.25Å; K205-D318 WeakPolarHBondContact CE-OD1 3.39Å; K205-D318 HydrophobicContact CG-CB 4.01Å; K205-D318 IonicContact NZ-OD1 2.71Å; K205-D318 PolarHBondContact NZ-OD1 3.26Å; K208-D318 IonicContact NZ-OD2 3.2Å
319	I	96.2	Very high	96.2	Very high	18 Å²	18	35.2 Å²	35.2	9%	0.092	18%	0.178	C	C	.	.	S	Bend	trans	-141.2	158.7	174.9	60.5	174.1	0	0	0	109.1	L200 K208 I212 F215 R315 P316 T317 V321	L200-I319 HydrophobicContact CB-CD1 4.38Å; L200-I319 HydrophobicContact CD1-CD1 3.73Å; L200-I319 HydrophobicContact CD2-CD1 4.13Å; L200-I319 HydrophobicContact CG-CD1 4.3Å; K208-I319 HydrophobicContact CB-CG2 3.74Å; K208-I319 HydrophobicContact CD-CG2 3.98Å; K208-I319 HydrophobicContact CG-CG2 4.2Å; I212-I319 HydrophobicContact CB-CG2 4.18Å; I212-I319 HydrophobicContact CG2-CB 4.42Å; I212-I319 HydrophobicContact CG2-CD1 4.32Å; I212-I319 HydrophobicContact CG2-CG2 3.97Å; F215-I319 HydrophobicContact CB-CD1 3.95Å; R315-I319 PolarHBondContact NH2-O 3.33Å; P316-I319 HydrophobicContact CB-CD1 3.78Å; P316-I319 HydrophobicContact CB-CG1 4.13Å; T317-I319 PolarHBondContact O-N 3.46Å; T317-I319 VanDerWaalsContact O-N 3.1Å; I319-V321 HydrophobicContact CD1-CG2 4.39Å; I319-V321 HydrophobicContact CG1-CG2 4.17Å
320	D	97	Very high	96.5	Very high	61 Å²	61	37.9 Å²	37.9	33%	0.326	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	142	166.2	-70.9	-44.3	0	0	0	110.7	G214 F215 Y322	G214-D320 CarbonylContact C-O 3.57Å; G214-D320 WeakPolarHBondContact CA-O 3.35Å; F215-D320 PolarHBondContact N-O 2.74Å; D320-Y322 HydrophobicContact CB-CE2 3.9Å
321	V	98.1	Very high	96.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	128.5	177.2	-179.5	0	0	0	0	108	F215 R315 I319 W374 V377 N378	F215-V321 HydrophobicContact CB-CG2 4.28Å; F215-V321 HydrophobicContact CD1-CG1 3.74Å; F215-V321 HydrophobicContact CD1-CG2 4.1Å; F215-V321 HydrophobicContact CE1-CG1 4.31Å; F215-V321 HydrophobicContact CG-CG1 4.48Å; F215-V321 CarbonylContact O-C 3.38Å; F215-V321 WeakPolarHBondContact O-CA 3.33Å; R315-V321 VanDerWaalsContact CZ-CG2 3.45Å; R315-V321 VanDerWaalsContact NH2-N 3.18Å; I319-V321 HydrophobicContact CD1-CG2 4.39Å; I319-V321 HydrophobicContact CG1-CG2 4.17Å; V321-W374 HydrophobicContact CG1-CE3 4.48Å; V321-W374 HydrophobicContact CG1-CZ3 3.7Å; V321-V377 HydrophobicContact CG1-CG2 4.46Å; V321-N378 PolarHBondContact O-N 3.43Å
322	Y	98.5	Very high	97	Very high	26 Å²	26	35.1 Å²	35.1	10%	0.102	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	115.4	176.5	-58.4	-95.7	0	0	0	107.4	Y185 F215 I216 S217 D320 N378 Y399 L403	Y185-Y322 HydrophobicContact CE1-CD2 4.31Å; Y185-Y322 AromaticContact CE1-CE2 3.73Å; Y185-Y322 HydrophobicContact CE1-CE2 3.73Å; F215-Y322 PolarHBondContact O-N 3.04Å; I216-Y322 HydrophobicContact CG1-CD2 4.2Å; S217-Y322 PolarHBondContact N-O 2.88Å; D320-Y322 HydrophobicContact CB-CE2 3.9Å; Y322-N378 CarbonylContact C-O 3.42Å; Y322-N378 VanDerWaalsContact CA-O 3.24Å; Y322-N378 WeakPolarHBondContact CA-O 3.21Å; Y322-N378 HydrophobicContact CD1-CB 3.37Å; Y322-N378 HydrophobicContact CE1-CB 3.7Å; Y322-N378 HydrophobicContact CG-CB 4.05Å; Y322-Y399 HydrophobicContact CD1-CE1 4.41Å; Y322-Y399 WeakPolarHBondContact CD1-OH 3.38Å; Y322-L403 HydrophobicContact CD1-CD1 3.8Å; Y322-L403 HydrophobicContact CD1-CD2 3.91Å; Y322-L403 HydrophobicContact CD2-CD1 4.38Å; Y322-L403 HydrophobicContact CE1-CD1 4.04Å; Y322-L403 HydrophobicContact CE1-CD2 3.34Å; Y322-L403 HydrophobicContact CE1-CG 4.35Å; Y322-L403 HydrophobicContact CG-CD1 3.99Å
323	C	98.5	Very high	97.1	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.007	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	117.5	176	-169.5	0	0	0	0	108.9	C371 V377 N378 L379 A380	C323-C371 HydrophobicContact CB-CB 3.64Å; C323-C371 WeakPolarHBondContact CB-SG 3.47Å; C323-C371 WeakPolarHBondContact SG-CB 3.45Å; C323-C371 CovalentContact SG-SG 2.03Å; C323-C371 PolarHBondContact SG-SG 3.08Å; C323-V377 HydrophobicContact CB-CG2 3.5Å; C323-N378 PolarHBondContact N-O 2.83Å; C323-L379 HydrophobicContact CB-CD1 4.36Å; C323-L379 WeakPolarHBondContact O-CA 3.45Å; C323-A380 PolarHBondContact O-N 3.17Å
324	I	98.7	Very high	97.2	Very high	1 Å²	1	35 Å²	35	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	124.5	-173.8	-49.8	174.2	0	0	0	107.9	I216 S217 V218 S219 A380 L382 I390 F396 Y399	I216-I324 HydrophobicContact CG2-CD1 3.56Å; S217-I324 PolarHBondContact O-N 2.96Å; V218-I324 CarbonylContact C-O 3.57Å; V218-I324 VanDerWaalsContact CA-O 3.31Å; V218-I324 WeakPolarHBondContact CA-O 3.48Å; S219-I324 PolarHBondContact N-O 3.28Å; I324-A380 VanDerWaalsContact CA-O 3.28Å; I324-A380 WeakPolarHBondContact CA-O 3.44Å; I324-A380 HydrophobicContact CG1-CB 4.19Å; I324-A380 HydrophobicContact CG2-CB 4.36Å; I324-L382 HydrophobicContact CG2-CD1 3.96Å; I324-I390 HydrophobicContact CG2-CD1 4.36Å; I324-F396 HydrophobicContact CD1-CD2 4.14Å; I324-F396 HydrophobicContact CD1-CE2 3.73Å; I324-F396 HydrophobicContact CG2-CD2 4.04Å; I324-F396 HydrophobicContact CG2-CE2 4.4Å; I324-Y399 HydrophobicContact CD1-CD1 3.8Å; I324-Y399 HydrophobicContact CD1-CE1 3.71Å; I324-Y399 HydrophobicContact CG1-CE1 4.32Å
325	Y	98.6	Very high	97.3	Very high	11 Å²	11	29.5 Å²	29.5	4%	0.043	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	164.4	176.4	59.8	-100.6	0	0	0	111.1	I327 L365 L368 N372 L379 A380 V381 L382	Y325-I327 HydrophobicContact CD2-CG2 3.89Å; Y325-I327 HydrophobicContact CE2-CG2 3.7Å; Y325-L365 HydrophobicContact CE2-CD1 3.84Å; Y325-L368 HydrophobicContact CD1-CB 4.23Å; Y325-L368 HydrophobicContact CD2-CB 3.97Å; Y325-L368 HydrophobicContact CD2-CD1 4.37Å; Y325-L368 HydrophobicContact CG-CB 3.8Å; Y325-N372 PolarHBondContact OH-ND2 3.1Å; Y325-N372 PolarHBondContact OH-OD1 3.02Å; Y325-L379 HydrophobicContact CD1-CD1 4.26Å; Y325-L379 HydrophobicContact CE1-CD1 3.47Å; Y325-L379 VanDerWaalsContact CE1-CD1 3.47Å; Y325-A380 PolarHBondContact N-O 3.34Å; Y325-V381 HydrophobicContact CD2-CG1 4.25Å; Y325-V381 HydrophobicContact CD2-CG2 4.49Å; Y325-V381 HydrophobicContact CE1-CG2 4.34Å; Y325-V381 HydrophobicContact CE2-CB 4.44Å; Y325-V381 HydrophobicContact CE2-CG1 3.89Å; Y325-V381 HydrophobicContact CE2-CG2 3.78Å; Y325-V381 WeakPolarHBondContact O-CA 3.07Å; Y325-L382 PolarHBondContact O-N 2.92Å
326	S	96.9	Very high	97.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	153.7	177.5	-175.9	0	0	0	0	111.5	L368 L382 T385	S326-L368 WeakPolarHBondContact O-CD1 3.32Å; S326-L382 CarbonylContact C-O 3.59Å; S326-L382 VanDerWaalsContact CA-O 3.24Å; S326-L382 WeakPolarHBondContact CA-O 3.45Å; S326-T385 WeakPolarHBondContact CB-O 3.04Å; S326-T385 PolarHBondContact OG-N 3.27Å; S326-T385 PolarHBondContact OG-O 3.33Å
327	I	98.2	Very high	97.6	Very high	28 Å²	28	29.8 Å²	29.8	14%	0.144	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	176.1	176.8	66.2	171	0	0	0	111.1	Y325 I329 G359 L365 V381 L382 E383 Q384	Y325-I327 HydrophobicContact CD2-CG2 3.89Å; Y325-I327 HydrophobicContact CE2-CG2 3.7Å; I327-I329 VanDerWaalsContact C-N 3.29Å; I327-I329 PolarHBondContact O-N 2.75Å; I327-G359 CarbonylContact C-O 3.54Å; I327-G359 WeakPolarHBondContact CA-O 3.39Å; I327-L365 HydrophobicContact CG2-CD1 3.72Å; I327-V381 HydrophobicContact CB-CG1 4.43Å; I327-V381 HydrophobicContact CD1-CG1 3.89Å; I327-V381 HydrophobicContact CG1-CG1 3.87Å; I327-V381 HydrophobicContact CG2-CG1 3.76Å; I327-L382 PolarHBondContact N-O 3.49Å; I327-E383 HydrophobicContact CD1-CG 4.21Å; I327-E383 HydrophobicContact CG1-CG 3.92Å; I327-Q384 PolarHBondContact O-N 3.31Å
328	N	97.7	Very high	97.6	Very high	79 Å²	79	30.4 Å²	30.4	42%	0.422	16%	0.161	S	C	.	.	S	Bend	trans	64.3	28.4	178.8	-60.2	-36.6	0	0	0	113.9	D358 Q384	N328-D358 WeakPolarHBondContact CA-OD1 3.34Å; N328-D358 PolarHBondContact N-OD1 2.79Å; N328-Q384 HydrophobicContact CB-CG 4.37Å
329	I	97.9	Very high	97.6	Very high	38 Å²	38	31.1 Å²	31.1	20%	0.195	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-109.5	128.2	168.1	-58.1	-64	0	0	0	109.4	I327 T331 G359 G361 Q384 T385	I327-I329 VanDerWaalsContact C-N 3.29Å; I327-I329 PolarHBondContact O-N 2.75Å; I329-T331 PolarHBondContact O-N 3.06Å; I329-T331 PolarHBondContact O-OG1 3.47Å; I329-G359 WeakPolarHBondContact CB-O 3.27Å; I329-G359 PolarHBondContact N-O 3.32Å; I329-G359 CarbonylContact O-C 3.36Å; I329-G359 PolarHBondContact O-N 2.85Å; I329-G361 VanDerWaalsContact CG2-CA 3.44Å; I329-Q384 HydrophobicContact CD1-CB 4.41Å; I329-T385 WeakPolarHBondContact CG1-O 3.34Å
330	P	98.1	Very high	97.6	Very high	91 Å²	91	33.7 Å²	33.7	59%	0.591	19%	0.186	S	C	*	.			trans	-53	114.2	174.6	-27	35.1	0	0	0	111.7	Y356	P330-Y356 HydrophobicContact CB-CD1 4.19Å; P330-Y356 HydrophobicContact CB-CG 4.13Å
331	T	97.9	Very high	97.5	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	137.7	-173.9	-53.9	0	0	0	0	110.3	I329 S333 Y356 G357 G359 D360 G361 P364	I329-T331 PolarHBondContact O-N 3.06Å; I329-T331 PolarHBondContact O-OG1 3.47Å; T331-S333 PolarHBondContact O-N 3.18Å; T331-S333 VanDerWaalsContact O-N 3.09Å; T331-Y356 CarbonylContact O-C 3.49Å; T331-Y356 VanDerWaalsContact O-CA 3.23Å; T331-Y356 WeakPolarHBondContact O-CA 3.47Å; T331-G357 PolarHBondContact N-O 3.19Å; T331-G357 PolarHBondContact O-N 3.09Å; T331-G359 WeakPolarHBondContact OG1-CA 3.36Å; T331-G359 PolarHBondContact OG1-N 2.8Å; T331-D360 PolarHBondContact OG1-N 3.43Å; T331-G361 WeakPolarHBondContact OG1-CA 3.31Å; T331-G361 PolarHBondContact OG1-N 3.2Å; T331-P364 HydrophobicContact CG2-CG 4.06Å
332	I	97.1	Very high	97.2	Very high	9 Å²	9	38.6 Å²	38.6	5%	0.046	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55	121.7	-176.5	-53.3	-175	0	0	0	110.2	V226 E227 Y230 M335 L354 Y356	V226-I332 HydrophobicContact CB-CB 4.46Å; V226-I332 HydrophobicContact CB-CG2 4.27Å; V226-I332 WeakPolarHBondContact CB-O 3.26Å; V226-I332 HydrophobicContact CG1-CB 4.37Å; V226-I332 HydrophobicContact CG1-CG2 3.65Å; E227-I332 WeakPolarHBondContact OE2-CD1 3.38Å; Y230-I332 HydrophobicContact CD1-CD1 4.28Å; Y230-I332 HydrophobicContact CG-CD1 4.5Å; I332-M335 HydrophobicContact CG2-CG 4.5Å; I332-L354 HydrophobicContact CD1-CD1 3.68Å; I332-L354 HydrophobicContact CD1-CD2 4.15Å; I332-L354 HydrophobicContact CD1-CG 4.46Å; I332-L354 HydrophobicContact CG1-CD1 4.19Å; I332-L354 HydrophobicContact CG2-CD2 4.09Å; I332-Y356 HydrophobicContact CG1-CD1 4.46Å; I332-Y356 HydrophobicContact CG1-CE1 4.07Å
333	S	97.5	Very high	96.8	Very high	33 Å²	33	48.5 Å²	48.5	23%	0.231	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-29.9	176.1	62.1	0	0	0	0	112.4	T331 K355 G357	T331-S333 PolarHBondContact O-N 3.18Å; T331-S333 VanDerWaalsContact O-N 3.09Å; S333-K355 PolarHBondContact N-O 3.21Å; S333-K355 PolarHBondContact OG-O 3.35Å; S333-G357 PolarHBondContact OG-N 3.45Å
334	Q	98	Very high	96.5	Very high	28 Å²	28	53.3 Å²	53.3	13%	0.131	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	142.5	-178.4	177.2	176.4	83.4	0	0	111.9	K273 L274 I276 I336 K355	K273-Q334 PolarHBondContact O-NE2 2.89Å; L274-Q334 CarbonylContact O-C 3.43Å; L274-Q334 WeakPolarHBondContact O-CA 3.27Å; I276-Q334 HydrophobicContact CD1-CG 4.29Å; I276-Q334 VanDerWaalsContact CD1-NE2 3.31Å; I276-Q334 HydrophobicContact CG1-CG 4.3Å; Q334-I336 HydrophobicContact CG-CG1 4.07Å; Q334-K355 HydrophobicContact CB-CB 4.21Å; Q334-K355 PolarHBondContact N-O 3.15Å; Q334-K355 PolarHBondContact O-N 3.13Å
335	M	98.1	Very high	96.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	124.6	172.9	-64.1	175.1	-87	0	0	110.4	V226 L229 Y230 L274 I275 I276 I332 F337 P352 L354	V226-M335 HydrophobicContact CG1-CE 4.11Å; L229-M335 HydrophobicContact CB-CE 4.03Å; L229-M335 HydrophobicContact CD2-CE 3.64Å; L229-M335 HydrophobicContact CG-CE 3.59Å; Y230-M335 VanDerWaalsContact CA-SD 3.57Å; Y230-M335 HydrophobicContact CD2-CG 4.36Å; Y230-M335 HydrophobicContact CD2-SD 3.62Å; Y230-M335 HydrophobicContact CG-SD 4.14Å; L274-M335 PolarHBondContact O-N 3Å; I275-M335 WeakPolarHBondContact CA-O 3.41Å; I275-M335 HydrophobicContact CD1-CE 3.77Å; I275-M335 HydrophobicContact CG1-CB 4.38Å; I275-M335 HydrophobicContact CG1-CE 3.41Å; I275-M335 VanDerWaalsContact CG1-CE 3.41Å; I275-M335 HydrophobicContact CG1-SD 4.46Å; I276-M335 PolarHBondContact N-O 3.02Å; I332-M335 HydrophobicContact CG2-CG 4.5Å; M335-F337 HydrophobicContact CB-CE2 3.89Å; M335-P352 HydrophobicContact CB-CB 4Å; M335-P352 HydrophobicContact CB-CG 4.08Å; M335-P352 HydrophobicContact CG-CG 4.18Å; M335-P352 HydrophobicContact SD-CG 4.47Å; M335-L354 HydrophobicContact CG-CD2 3.78Å
336	I	98.1	Very high	96	Very high	37 Å²	37	58.4 Å²	58.4	19%	0.19	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	110.5	-177.6	-53.4	176.6	0	0	0	109.7	I276 Q334 P352 T353 K355	I276-I336 HydrophobicContact CB-CG1 4.4Å; I276-I336 HydrophobicContact CB-CG2 4.42Å; I276-I336 HydrophobicContact CD1-CG1 4.48Å; I276-I336 HydrophobicContact CG2-CG2 4.33Å; Q334-I336 HydrophobicContact CG-CG1 4.07Å; I336-P352 WeakPolarHBondContact O-CA 3.5Å; I336-T353 PolarHBondContact N-O 3.42Å; I336-T353 PolarHBondContact O-N 2.63Å; I336-K355 HydrophobicContact CD1-CD 3.87Å; I336-K355 HydrophobicContact CD1-CG 3.92Å
337	F	97.3	Very high	96	Very high	5 Å²	5	60.4 Å²	60.4	2%	0.022	33%	0.334	C	S	.	.			trans	-91.4	140.4	174.5	-65.4	-93.5	0	0	0	109.9	T233 I275 I276 T277 M335 F347 Q350 P352	T233-F337 HydrophobicContact CG2-CZ 3.97Å; I275-F337 HydrophobicContact CG2-CD2 3.78Å; I275-F337 HydrophobicContact CG2-CE2 3.78Å; I276-F337 PolarHBondContact O-N 3.03Å; T277-F337 HydrophobicContact CG2-CB 4.27Å; T277-F337 HydrophobicContact CG2-CD2 4.28Å; M335-F337 HydrophobicContact CB-CE2 3.89Å; F337-F347 HydrophobicContact CB-CB 4.36Å; F337-F347 HydrophobicContact CB-CD2 4.34Å; F337-F347 HydrophobicContact CD1-CB 4.18Å; F337-F347 AromaticContact CD1-CD2 3.61Å; F337-F347 HydrophobicContact CD1-CD2 3.61Å; F337-F347 HydrophobicContact CD1-CG 4.39Å; F337-F347 AromaticContact CD2-CD2 3.68Å; F337-F347 HydrophobicContact CD2-CD2 3.68Å; F337-F347 HydrophobicContact CD2-CE2 4.05Å; F337-F347 AromaticContact CE1-CD2 3.68Å; F337-F347 HydrophobicContact CE1-CD2 3.68Å; F337-F347 HydrophobicContact CE1-CE2 4.31Å; F337-F347 AromaticContact CE2-CD2 3.77Å; F337-F347 HydrophobicContact CE2-CD2 3.77Å; F337-F347 AromaticContact CE2-CE2 3.8Å; F337-F347 HydrophobicContact CE2-CE2 3.8Å; F337-F347 HydrophobicContact CG-CB 4.33Å; F337-F347 AromaticContact CG-CD2 3.6Å; F337-F347 HydrophobicContact CG-CD2 3.6Å; F337-F347 HydrophobicContact CG-CE2 4.42Å; F337-F347 HydrophobicContact CG-CG 4.4Å; F337-F347 AromaticContact CZ-CD2 3.76Å; F337-F347 HydrophobicContact CZ-CD2 3.76Å; F337-F347 AromaticContact CZ-CE2 3.94Å; F337-F347 HydrophobicContact CZ-CE2 3.94Å; F337-Q350 HydrophobicContact CD1-CB 4.02Å; F337-Q350 HydrophobicContact CE1-CB 4.35Å; F337-Q350 WeakPolarHBondContact CE1-O 3.23Å; F337-P352 HydrophobicContact CD1-CB 4.07Å; F337-P352 HydrophobicContact CD2-CB 4.06Å; F337-P352 HydrophobicContact CE1-CB 3.84Å; F337-P352 HydrophobicContact CE1-CG 4.12Å; F337-P352 HydrophobicContact CE2-CB 3.81Å; F337-P352 HydrophobicContact CE2-CG 4.24Å; F337-P352 HydrophobicContact CG-CB 4.2Å; F337-P352 HydrophobicContact CZ-CB 3.7Å; F337-P352 HydrophobicContact CZ-CG 3.8Å
338	K	96	Very high	95.8	Very high	95 Å²	95	60 Å²	60	41%	0.413	33%	0.333	S	S	.	.			trans	-106.5	164.2	-176.2	-62.7	-176.8	178.6	178.4	0	109.3	Q350	K338-Q350 VanDerWaalsContact N-OE1 3.13Å; K338-Q350 PolarHBondContact O-OE1 3.39Å; K338-Q350 VanDerWaalsContact O-OE1 3.13Å
339	T	96.2	Very high	95.7	Very high	91 Å²	91	59.7 Å²	59.7	56%	0.558	33%	0.331	S	S	*	.			trans	-55.2	133.5	173.7	-48.8	0	0	0	0	110	R344	T339-R344 WeakPolarHBondContact O-CD 3.48Å; T339-R344 PolarHBondContact O-NH1 3.48Å
340	P	95.4	Very high	95.5	Very high	73 Å²	73	58.6 Å²	58.6	47%	0.474	33%	0.325	S	S	.	.			trans	-61.1	158.2	175.6	25.6	-34	0	0	0	111	R344 A346	P340-R344 WeakPolarHBondContact CA-O 3.36Å; P340-A346 HydrophobicContact CB-CB 4.01Å; P340-A346 HydrophobicContact CG-CB 4.18Å
341	G	94	Very high	95.1	Very high	38 Å²	38	58.8 Å²	58.8	39%	0.392	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-161.5	-174	178.7	0	0	0	0	0	111.5	Y343 R344	G341-Y343 PolarHBondContact O-N 3.15Å; G341-R344 PolarHBondContact N-O 3.06Å; G341-R344 PolarHBondContact O-N 3.41Å; G341-R344 VanDerWaalsContact O-O 3.1Å
342	P	93.1	Very high	95	Very high	125 Å²	125	59.2 Å²	59.2	81%	0.812	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-29	-173.2	-27.1	34.4	0	0	0	114.7
343	Y	90.3	Very high	94.9	Very high	234 Å²	234	61.9 Å²	61.9	92%	0.918	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.3	16.9	-179	-49.8	-70.1	0	0	0	113.1	G341	G341-Y343 PolarHBondContact O-N 3.15Å
344	R	91.2	Very high	94.8	Very high	103 Å²	103	62.2 Å²	62.2	39%	0.389	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-137.5	111.4	-178.5	-173	-169.5	-61.4	148.1	0.8	109.8	T339 P340 G341 Q350	T339-R344 WeakPolarHBondContact O-CD 3.48Å; T339-R344 PolarHBondContact O-NH1 3.48Å; P340-R344 WeakPolarHBondContact CA-O 3.36Å; G341-R344 PolarHBondContact N-O 3.06Å; G341-R344 PolarHBondContact O-N 3.41Å; G341-R344 VanDerWaalsContact O-O 3.1Å; R344-Q350 HydrophobicContact CG-CG 3.76Å
345	S	93.4	Very high	94.8	Very high	69 Å²	69	66.1 Å²	66.1	48%	0.483	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-55.8	154.4	172.2	-56.4	0	0	0	0	112.2	N349 Q350	S345-N349 WeakPolarHBondContact CB-O 3.24Å; S345-N349 PolarHBondContact OG-O 2.69Å; S345-Q350 WeakPolarHBondContact O-CB 3.44Å
346	A	94	Very high	94.8	Very high	50 Å²	50	72.6 Å²	72.6	41%	0.413	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-73.6	158.4	171.6	0	0	0	0	0	111.9	P340 N349	P340-A346 HydrophobicContact CB-CB 4.01Å; P340-A346 HydrophobicContact CG-CB 4.18Å; A346-N349 CarbonylContact O-C 3.49Å; A346-N349 WeakPolarHBondContact O-CA 3.02Å; A346-N349 PolarHBondContact O-N 3.3Å
347	F	95.7	Very high	94.8	Very high	42 Å²	42	72.4 Å²	72.4	18%	0.184	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	136.2	164.1	172.6	-98	0	0	0	110.2	T233 I275 T277 Y282 L290 I294 F337	T233-F347 HydrophobicContact CG2-CE2 3.67Å; T233-F347 HydrophobicContact CG2-CZ 4.25Å; I275-F347 HydrophobicContact CG2-CE2 4.1Å; T277-F347 HydrophobicContact CG2-CB 4.44Å; T277-F347 HydrophobicContact CG2-CD1 4.1Å; T277-F347 HydrophobicContact CG2-CD2 3.81Å; T277-F347 HydrophobicContact CG2-CE1 4.31Å; T277-F347 HydrophobicContact CG2-CE2 4.04Å; T277-F347 HydrophobicContact CG2-CG 3.85Å; T277-F347 HydrophobicContact CG2-CZ 4.28Å; Y282-F347 HydrophobicContact CE2-CE1 4.48Å; Y282-F347 HydrophobicContact CE2-CZ 4.37Å; L290-F347 HydrophobicContact CD1-CE1 4.5Å; L290-F347 HydrophobicContact CD1-CZ 3.65Å; I294-F347 HydrophobicContact CG2-CE1 3.52Å; I294-F347 HydrophobicContact CG2-CE2 4.34Å; I294-F347 HydrophobicContact CG2-CZ 3.39Å; F337-F347 HydrophobicContact CB-CB 4.36Å; F337-F347 HydrophobicContact CB-CD2 4.34Å; F337-F347 HydrophobicContact CD1-CB 4.18Å; F337-F347 AromaticContact CD1-CD2 3.61Å; F337-F347 HydrophobicContact CD1-CD2 3.61Å; F337-F347 HydrophobicContact CD1-CG 4.39Å; F337-F347 AromaticContact CD2-CD2 3.68Å; F337-F347 HydrophobicContact CD2-CD2 3.68Å; F337-F347 HydrophobicContact CD2-CE2 4.05Å; F337-F347 AromaticContact CE1-CD2 3.68Å; F337-F347 HydrophobicContact CE1-CD2 3.68Å; F337-F347 HydrophobicContact CE1-CE2 4.31Å; F337-F347 AromaticContact CE2-CD2 3.77Å; F337-F347 HydrophobicContact CE2-CD2 3.77Å; F337-F347 AromaticContact CE2-CE2 3.8Å; F337-F347 HydrophobicContact CE2-CE2 3.8Å; F337-F347 HydrophobicContact CG-CB 4.33Å; F337-F347 AromaticContact CG-CD2 3.6Å; F337-F347 HydrophobicContact CG-CD2 3.6Å; F337-F347 HydrophobicContact CG-CE2 4.42Å; F337-F347 HydrophobicContact CG-CG 4.4Å; F337-F347 AromaticContact CZ-CD2 3.76Å; F337-F347 HydrophobicContact CZ-CD2 3.76Å; F337-F347 AromaticContact CZ-CE2 3.94Å; F337-F347 HydrophobicContact CZ-CE2 3.94Å
348	P	95.4	Very high	94.9	Very high	18 Å²	18	74.9 Å²	74.9	12%	0.117	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	cis	-93.7	8.1	1.8	39.1	-39	0	0	0	114.5	T233 I294 Q350	T233-P348 HydrophobicContact CG2-CB 3.98Å; I294-P348 HydrophobicContact CB-CB 4.23Å; I294-P348 HydrophobicContact CB-CG 3.91Å; I294-P348 HydrophobicContact CG2-CB 3.71Å; I294-P348 HydrophobicContact CG2-CG 3.85Å; P348-Q350 PolarHBondContact O-N 2.86Å
349	N	95.4	Very high	95	Very high	74 Å²	74	70.4 Å²	70.4	40%	0.396	38%	0.382	S	S	.	.	S	Bend	trans	-87.3	24.2	-174.8	-61.8	-40.1	0	0	0	113.4	L246 R249 S345 A346	L246-N349 WeakPolarHBondContact CD1-O 3.15Å; R249-N349 PolarHBondContact NH1-OD1 3.43Å; R249-N349 PolarHBondContact NH2-OD1 2.9Å; S345-N349 WeakPolarHBondContact CB-O 3.24Å; S345-N349 PolarHBondContact OG-O 2.69Å; A346-N349 CarbonylContact O-C 3.49Å; A346-N349 WeakPolarHBondContact O-CA 3.02Å; A346-N349 PolarHBondContact O-N 3.3Å
350	Q	92.4	Very high	95.1	Very high	14 Å²	14	66 Å²	66	7%	0.065	36%	0.356	C	S	.	.	S	Bend	trans	-113.8	147.1	179.8	-166.6	-153.5	-50.5	0	0	109	F337 K338 R344 S345 P348 P352	F337-Q350 HydrophobicContact CD1-CB 4.02Å; F337-Q350 HydrophobicContact CE1-CB 4.35Å; F337-Q350 WeakPolarHBondContact CE1-O 3.23Å; K338-Q350 VanDerWaalsContact N-OE1 3.13Å; K338-Q350 PolarHBondContact O-OE1 3.39Å; K338-Q350 VanDerWaalsContact O-OE1 3.13Å; R344-Q350 HydrophobicContact CG-CG 3.76Å; S345-Q350 WeakPolarHBondContact O-CB 3.44Å; P348-Q350 PolarHBondContact O-N 2.86Å; Q350-P352 WeakPolarHBondContact O-CD 3.12Å
351	I	91	Very high	95.1	Very high	96 Å²	96	63.8 Å²	63.8	49%	0.492	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-75.8	118.2	162.6	-57.2	175.5	0	0	0	107.6	P245	P245-I351 HydrophobicContact CG-CD1 4.44Å
352	P	94.5	Very high	95.3	Very high	9 Å²	9	63.4 Å²	63.4	6%	0.058	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-72.6	161.2	179	30.5	-33.5	0	0	0	111.4	Y230 M335 I336 F337 Q350 L354	Y230-P352 HydrophobicContact CD2-CG 4.11Å; Y230-P352 HydrophobicContact CE2-CG 3.74Å; M335-P352 HydrophobicContact CB-CB 4Å; M335-P352 HydrophobicContact CB-CG 4.08Å; M335-P352 HydrophobicContact CG-CG 4.18Å; M335-P352 HydrophobicContact SD-CG 4.47Å; I336-P352 WeakPolarHBondContact O-CA 3.5Å; F337-P352 HydrophobicContact CD1-CB 4.07Å; F337-P352 HydrophobicContact CD2-CB 4.06Å; F337-P352 HydrophobicContact CE1-CB 3.84Å; F337-P352 HydrophobicContact CE1-CG 4.12Å; F337-P352 HydrophobicContact CE2-CB 3.81Å; F337-P352 HydrophobicContact CE2-CG 4.24Å; F337-P352 HydrophobicContact CG-CB 4.2Å; F337-P352 HydrophobicContact CZ-CB 3.7Å; F337-P352 HydrophobicContact CZ-CG 3.8Å; Q350-P352 WeakPolarHBondContact O-CD 3.12Å; P352-L354 HydrophobicContact CG-CD2 3.96Å
353	T	95.8	Very high	95.5	Very high	66 Å²	66	57.5 Å²	57.5	41%	0.405	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	125.6	159.8	-58.7	0	0	0	0	108.4	I336	I336-T353 PolarHBondContact N-O 3.42Å; I336-T353 PolarHBondContact O-N 2.63Å
354	L	96	Very high	95.9	Very high	39 Å²	39	46.8 Å²	46.8	20%	0.204	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	136.1	179.7	-57	176.8	0	0	0	110.2	Y230 I332 M335 P352 Y356	Y230-L354 HydrophobicContact CD2-CD2 4.4Å; Y230-L354 HydrophobicContact CE2-CD2 4.42Å; I332-L354 HydrophobicContact CD1-CD1 3.68Å; I332-L354 HydrophobicContact CD1-CD2 4.15Å; I332-L354 HydrophobicContact CD1-CG 4.46Å; I332-L354 HydrophobicContact CG1-CD1 4.19Å; I332-L354 HydrophobicContact CG2-CD2 4.09Å; M335-L354 HydrophobicContact CG-CD2 3.78Å; P352-L354 HydrophobicContact CG-CD2 3.96Å; L354-Y356 HydrophobicContact CB-CE1 4.45Å; L354-Y356 HydrophobicContact CB-CE2 4.08Å
355	K	97.9	Very high	96.2	Very high	111 Å²	111	44.4 Å²	44.4	48%	0.483	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	147	161	-76.2	-172.9	177.2	168.7	0	109	S333 Q334 I336	S333-K355 PolarHBondContact N-O 3.21Å; S333-K355 PolarHBondContact OG-O 3.35Å; Q334-K355 HydrophobicContact CB-CB 4.21Å; Q334-K355 PolarHBondContact N-O 3.15Å; Q334-K355 PolarHBondContact O-N 3.13Å; I336-K355 HydrophobicContact CD1-CD 3.87Å; I336-K355 HydrophobicContact CD1-CG 3.92Å
356	Y	98.3	Very high	96.4	Very high	135 Å²	135	44 Å²	44	53%	0.529	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	139.5	-177.5	-57.7	-86.4	0	0	0	110	P330 T331 I332 L354	P330-Y356 HydrophobicContact CB-CD1 4.19Å; P330-Y356 HydrophobicContact CB-CG 4.13Å; T331-Y356 CarbonylContact O-C 3.49Å; T331-Y356 VanDerWaalsContact O-CA 3.23Å; T331-Y356 WeakPolarHBondContact O-CA 3.47Å; I332-Y356 HydrophobicContact CG1-CD1 4.46Å; I332-Y356 HydrophobicContact CG1-CE1 4.07Å; L354-Y356 HydrophobicContact CB-CE1 4.45Å; L354-Y356 HydrophobicContact CB-CE2 4.08Å
357	G	97.9	Very high	96.6	Very high	34 Å²	34	41.6 Å²	41.6	35%	0.351	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	-161	164.8	0	0	0	0	0	109.7	T331 S333	T331-G357 PolarHBondContact N-O 3.19Å; T331-G357 PolarHBondContact O-N 3.09Å; S333-G357 PolarHBondContact OG-N 3.45Å
358	D	98.3	Very high	96.8	Very high	57 Å²	57	39.6 Å²	39.6	31%	0.305	21%	0.212	S	C	.	.	S	Bend	trans	-86.5	150.6	178.6	-169.3	24.6	0	0	0	112.7	N328 L365	N328-D358 WeakPolarHBondContact CA-OD1 3.34Å; N328-D358 PolarHBondContact N-OD1 2.79Å; D358-L365 HydrophobicContact CB-CB 4.35Å; D358-L365 HydrophobicContact CB-CD2 4.5Å; D358-L365 PolarHBondContact O-N 2.78Å; D358-L365 VanDerWaalsContact OD2-CD2 3.28Å; D358-L365 WeakPolarHBondContact OD2-CD2 3.45Å
359	G	98.3	Very high	96.9	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	161.8	-153.8	-178.4	0	0	0	0	0	111.3	I327 I329 T331 V363	I327-G359 CarbonylContact C-O 3.54Å; I327-G359 WeakPolarHBondContact CA-O 3.39Å; I329-G359 WeakPolarHBondContact CB-O 3.27Å; I329-G359 PolarHBondContact N-O 3.32Å; I329-G359 CarbonylContact O-C 3.36Å; I329-G359 PolarHBondContact O-N 2.85Å; T331-G359 WeakPolarHBondContact OG1-CA 3.36Å; T331-G359 PolarHBondContact OG1-N 2.8Å; G359-V363 WeakPolarHBondContact CA-O 3.16Å
360	D	97.9	Very high	97.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-107	12	179.6	65.3	10	0	0	0	113.6	S219 T331 T362 V363 L368 S386 H387	S219-D360 WeakPolarHBondContact CB-OD2 3.36Å; S219-D360 PolarHBondContact OG-OD2 3.12Å; T331-D360 PolarHBondContact OG1-N 3.43Å; D360-T362 PolarHBondContact OD1-N 3.09Å; D360-T362 VanDerWaalsContact OD1-N 3.08Å; D360-V363 PolarHBondContact N-O 3.05Å; D360-V363 PolarHBondContact OD1-N 3.4Å; D360-L368 HydrophobicContact CB-CD1 4.02Å; D360-S386 CarbonylContact O-C 3.56Å; D360-S386 VanDerWaalsContact O-CA 3.27Å; D360-S386 WeakPolarHBondContact O-CA 3.42Å; D360-H387 HydrophobicContact CB-CB 4.33Å; D360-H387 VanDerWaalsContact CG-ND1 3.32Å; D360-H387 PolarHBondContact O-N 3.35Å; D360-H387 IonicContact OD1-CG 3.8Å; D360-H387 IonicContact OD1-ND1 2.79Å; D360-H387 PolarHBondContact OD1-ND1 2.6Å; D360-H387 IonicContact OD2-CE1 2.73Å; D360-H387 IonicContact OD2-CG 3.4Å; D360-H387 IonicContact OD2-ND1 3.8Å; D360-H387 PolarHBondContact OD2-ND1 3.08Å
361	G	96.7	Very high	97.3	Very high	25 Å²	25	35.9 Å²	35.9	26%	0.258	19%	0.194	S	C	.	.	S	Bend	trans	99.2	-23.5	-177.2	0	0	0	0	0	113.6	I329 T331	I329-G361 VanDerWaalsContact CG2-CA 3.44Å; T331-G361 WeakPolarHBondContact OG1-CA 3.31Å; T331-G361 PolarHBondContact OG1-N 3.2Å
362	T	96.9	Very high	97.6	Very high	30 Å²	30	34.7 Å²	34.7	18%	0.184	19%	0.188	C	C	.	.	S	Bend	trans	-121.9	-43.9	179.8	-65	0	0	0	0	111.3	E227 D360 E388	E227-T362 HydrophobicContact CB-CG2 4.29Å; E227-T362 HydrophobicContact CG-CG2 4.27Å; D360-T362 PolarHBondContact OD1-N 3.09Å; D360-T362 VanDerWaalsContact OD1-N 3.08Å; T362-E388 PolarHBondContact OG1-OE1 3Å
363	V	98.3	Very high	97.7	Very high	2 Å²	2	41 Å²	41	1%	0.012	22%	0.215	C	C	.	.	S	Bend	trans	-111.2	118.4	-174.2	-173.4	0	0	0	0	109.6	P221 G359 D360 L368 H387	P221-V363 HydrophobicContact CB-CG1 3.81Å; P221-V363 HydrophobicContact CB-CG2 3.84Å; G359-V363 WeakPolarHBondContact CA-O 3.16Å; D360-V363 PolarHBondContact N-O 3.05Å; D360-V363 PolarHBondContact OD1-N 3.4Å; V363-L368 HydrophobicContact CB-CD1 4.36Å; V363-L368 HydrophobicContact CB-CD2 3.8Å; V363-L368 HydrophobicContact CB-CG 3.92Å; V363-L368 HydrophobicContact CG1-CD2 3.68Å; V363-L368 HydrophobicContact CG1-CG 3.65Å; V363-L368 VanDerWaalsContact O-CD1 3.3Å; V363-L368 WeakPolarHBondContact O-CD1 3.17Å; V363-H387 VanDerWaalsContact CG2-CE1 3.41Å; V363-H387 WeakPolarHBondContact CG2-CE1 3.13Å
364	P	98.4	Very high	97.8	Very high	8 Å²	8	38.5 Å²	38.5	5%	0.052	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-60.8	144.4	178.3	-26.3	36.1	0	0	0	111.9	V226 W268 T331 K366 S367 L368	V226-P364 HydrophobicContact CG2-CG 4.13Å; W268-P364 HydrophobicContact CH2-CB 3.99Å; W268-P364 HydrophobicContact CH2-CG 3.8Å; W268-P364 HydrophobicContact CZ2-CB 4.25Å; W268-P364 HydrophobicContact CZ2-CG 4.04Å; T331-P364 HydrophobicContact CG2-CG 4.06Å; P364-K366 PolarHBondContact O-N 2.8Å; P364-S367 WeakPolarHBondContact O-CA 3.44Å; P364-S367 WeakPolarHBondContact O-CB 3.49Å; P364-S367 PolarHBondContact O-N 3.14Å; P364-L368 PolarHBondContact O-N 2.9Å
365	L	98.4	Very high	97.6	Very high	53 Å²	53	44.8 Å²	44.8	28%	0.277	23%	0.232	S	C	.	.	H	α-helix	trans	-48.4	-41.2	-177	169.3	59.9	0	0	0	113.1	Y325 I327 D358 S367 L368 S369	Y325-L365 HydrophobicContact CE2-CD1 3.84Å; I327-L365 HydrophobicContact CG2-CD1 3.72Å; D358-L365 HydrophobicContact CB-CB 4.35Å; D358-L365 HydrophobicContact CB-CD2 4.5Å; D358-L365 PolarHBondContact O-N 2.78Å; D358-L365 VanDerWaalsContact OD2-CD2 3.28Å; D358-L365 WeakPolarHBondContact OD2-CD2 3.45Å; L365-S367 PolarHBondContact O-N 3.1Å; L365-S367 VanDerWaalsContact O-N 3.16Å; L365-L368 PolarHBondContact O-N 3.43Å; L365-S369 VanDerWaalsContact O-CB 3.29Å; L365-S369 WeakPolarHBondContact O-CB 3.33Å; L365-S369 PolarHBondContact O-N 3.36Å; L365-S369 PolarHBondContact O-OG 2.86Å
366	K	97.6	Very high	97.4	Very high	60 Å²	60	45.5 Å²	45.5	26%	0.261	23%	0.232	S	C	.	.	H	α-helix	trans	-60	-29.3	-179.9	78.2	179.8	65	159.8	0	114	W268 E272 P364 V370	W268-K366 HydrophobicContact CD2-CD 3.69Å; W268-K366 HydrophobicContact CE3-CD 3.71Å; W268-K366 HydrophobicContact CG-CD 4.36Å; W268-K366 HydrophobicContact CH2-CD 3.82Å; W268-K366 HydrophobicContact CH2-CG 4.34Å; W268-K366 HydrophobicContact CZ2-CD 3.8Å; W268-K366 HydrophobicContact CZ2-CG 4.06Å; W268-K366 HydrophobicContact CZ3-CD 3.8Å; E272-K366 IonicContact OE1-NZ 3.45Å; E272-K366 PolarHBondContact OE1-NZ 3.09Å; E272-K366 IonicContact OE2-NZ 2.97Å; E272-K366 PolarHBondContact OE2-NZ 2.78Å; P364-K366 PolarHBondContact O-N 2.8Å; K366-V370 WeakPolarHBondContact O-CG2 3.14Å
367	S	98.5	Very high	97.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-82.9	-41.4	-179.8	-179	0	0	0	0	109.9	P221 F222 G223 G224 P364 L365 V370	P221-S367 VanDerWaalsContact C-OG 3.28Å; P221-S367 WeakPolarHBondContact CA-OG 3.44Å; F222-S367 WeakPolarHBondContact CB-O 3.17Å; F222-S367 PolarHBondContact N-O 3.32Å; F222-S367 PolarHBondContact N-OG 2.64Å; G223-S367 WeakPolarHBondContact CA-OG 3.28Å; G223-S367 PolarHBondContact N-OG 3.3Å; G224-S367 PolarHBondContact N-OG 2.72Å; G224-S367 WeakPolarHBondContact O-CB 3.3Å; G224-S367 PolarHBondContact O-OG 3.45Å; P364-S367 WeakPolarHBondContact O-CA 3.44Å; P364-S367 WeakPolarHBondContact O-CB 3.49Å; P364-S367 PolarHBondContact O-N 3.14Å; L365-S367 PolarHBondContact O-N 3.1Å; L365-S367 VanDerWaalsContact O-N 3.16Å; S367-V370 WeakPolarHBondContact O-CG2 3.49Å
368	L	98.5	Very high	97.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.2	-44.8	173.5	-67.4	170.8	0	0	0	112.3	Y325 S326 D360 V363 P364 L365 V370	Y325-L368 HydrophobicContact CD1-CB 4.23Å; Y325-L368 HydrophobicContact CD2-CB 3.97Å; Y325-L368 HydrophobicContact CD2-CD1 4.37Å; Y325-L368 HydrophobicContact CG-CB 3.8Å; S326-L368 WeakPolarHBondContact O-CD1 3.32Å; D360-L368 HydrophobicContact CB-CD1 4.02Å; V363-L368 HydrophobicContact CB-CD1 4.36Å; V363-L368 HydrophobicContact CB-CD2 3.8Å; V363-L368 HydrophobicContact CB-CG 3.92Å; V363-L368 HydrophobicContact CG1-CD2 3.68Å; V363-L368 HydrophobicContact CG1-CG 3.65Å; V363-L368 VanDerWaalsContact O-CD1 3.3Å; V363-L368 WeakPolarHBondContact O-CD1 3.17Å; P364-L368 PolarHBondContact O-N 2.9Å; L365-L368 PolarHBondContact O-N 3.43Å; L368-V370 VanDerWaalsContact C-N 3.32Å; L368-V370 PolarHBondContact O-N 2.93Å
369	S	98.2	Very high	97.4	Very high	26 Å²	26	41.7 Å²	41.7	18%	0.182	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-85.5	7.6	-172.3	60.7	0	0	0	0	114.8	L365 C371 N372	L365-S369 VanDerWaalsContact O-CB 3.29Å; L365-S369 WeakPolarHBondContact O-CB 3.33Å; L365-S369 PolarHBondContact O-N 3.36Å; L365-S369 PolarHBondContact O-OG 2.86Å; S369-C371 PolarHBondContact O-N 2.95Å; S369-N372 VanDerWaalsContact O-CB 3.24Å; S369-N372 WeakPolarHBondContact O-CB 3.19Å; S369-N372 PolarHBondContact O-N 3.38Å
370	V	98.4	Very high	97.3	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.012	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-54.4	-38.7	175	171.3	0	0	0	0	111	F222 V267 P312 Y313 K366 S367 L368 N372 K373	F222-V370 HydrophobicContact CB-CB 3.66Å; F222-V370 HydrophobicContact CB-CG1 4.06Å; F222-V370 HydrophobicContact CB-CG2 3.86Å; F222-V370 HydrophobicContact CD2-CB 4.14Å; F222-V370 HydrophobicContact CG-CB 4.19Å; V267-V370 HydrophobicContact CG1-CG2 3.85Å; V267-V370 HydrophobicContact CG2-CG2 4.07Å; P312-V370 HydrophobicContact CB-CG1 4.14Å; P312-V370 WeakPolarHBondContact O-CG1 3.42Å; Y313-V370 HydrophobicContact CD1-CG1 3.68Å; Y313-V370 HydrophobicContact CE1-CG1 3.73Å; Y313-V370 HydrophobicContact CG-CG1 4.46Å; K366-V370 WeakPolarHBondContact O-CG2 3.14Å; S367-V370 WeakPolarHBondContact O-CG2 3.49Å; L368-V370 VanDerWaalsContact C-N 3.32Å; L368-V370 PolarHBondContact O-N 2.93Å; V370-N372 PolarHBondContact O-N 3.37Å; V370-N372 VanDerWaalsContact O-N 3.11Å; V370-K373 WeakPolarHBondContact O-CB 3.12Å; V370-K373 PolarHBondContact O-N 3.16Å
371	C	97.9	Very high	97.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-59.3	-22.6	179.1	62	0	0	0	0	113.8	F222 C323 S369 K373 W374 V377	F222-C371 HydrophobicContact CD2-CB 4.39Å; F222-C371 HydrophobicContact CE2-CB 3.74Å; F222-C371 HydrophobicContact CZ-CB 4.23Å; C323-C371 HydrophobicContact CB-CB 3.64Å; C323-C371 WeakPolarHBondContact CB-SG 3.47Å; C323-C371 WeakPolarHBondContact SG-CB 3.45Å; C323-C371 CovalentContact SG-SG 2.03Å; C323-C371 PolarHBondContact SG-SG 3.08Å; S369-C371 PolarHBondContact O-N 2.95Å; C371-K373 PolarHBondContact O-N 2.93Å; C371-W374 HydrophobicContact CB-CD2 3.88Å; C371-W374 HydrophobicContact CB-CE3 3.51Å; C371-W374 HydrophobicContact CB-CH2 3.7Å; C371-W374 HydrophobicContact CB-CZ2 4.03Å; C371-W374 HydrophobicContact CB-CZ3 3.4Å; C371-W374 WeakPolarHBondContact O-CB 3.28Å; C371-W374 PolarHBondContact O-N 3.43Å; C371-W374 VanDerWaalsContact O-N 3.14Å; C371-V377 HydrophobicContact CB-CG2 4.49Å; C371-V377 WeakPolarHBondContact O-CG1 3.46Å
372	N	97.4	Very high	97.4	Very high	71 Å²	71	45 Å²	45	38%	0.38	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-67.8	-15.9	176.9	-58.8	5.4	0	0	0	112.4	Y325 S369 V370 L379	Y325-N372 PolarHBondContact OH-ND2 3.1Å; Y325-N372 PolarHBondContact OH-OD1 3.02Å; S369-N372 VanDerWaalsContact O-CB 3.24Å; S369-N372 WeakPolarHBondContact O-CB 3.19Å; S369-N372 PolarHBondContact O-N 3.38Å; V370-N372 PolarHBondContact O-N 3.37Å; V370-N372 VanDerWaalsContact O-N 3.11Å; N372-L379 WeakPolarHBondContact OD1-CD1 3.35Å
373	K	97.1	Very high	97.4	Very high	141 Å²	141	48.2 Å²	48.2	61%	0.613	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-93.2	-1.1	176.9	-52.4	-162.5	-162.1	173.1	0	113.3	Y313 V370 C371	Y313-K373 HydrophobicContact CD1-CB 4.14Å; Y313-K373 HydrophobicContact CD1-CD 4.09Å; Y313-K373 HydrophobicContact CE1-CB 4.42Å; Y313-K373 HydrophobicContact CE1-CD 3.6Å; Y313-K373 HydrophobicContact CE1-CG 4.36Å; Y313-K373 PolarHBondContact OH-NZ 2.87Å; V370-K373 WeakPolarHBondContact O-CB 3.12Å; V370-K373 PolarHBondContact O-N 3.16Å; C371-K373 PolarHBondContact O-N 2.93Å
374	W	96.8	Very high	97.2	Very high	15 Å²	15	55.1 Å²	55.1	6%	0.057	28%	0.275	C	S	.	.	S	Bend	trans	-73.3	150.2	173.8	-61.3	-21.1	0	0	0	110.6	M197 F222 P312 Y313 R315 V321 C371 Y376 V377	M197-W374 HydrophobicContact SD-CH2 4.37Å; M197-W374 HydrophobicContact SD-CZ2 4.1Å; F222-W374 HydrophobicContact CD1-CH2 4.41Å; F222-W374 HydrophobicContact CD1-CZ2 4.18Å; F222-W374 AromaticContact CE1-CH2 3.56Å; F222-W374 HydrophobicContact CE1-CH2 3.56Å; F222-W374 AromaticContact CE1-CZ2 3.77Å; F222-W374 HydrophobicContact CE1-CZ2 3.77Å; F222-W374 HydrophobicContact CE2-CH2 4.17Å; F222-W374 AromaticContact CZ-CH2 3.41Å; F222-W374 HydrophobicContact CZ-CH2 3.41Å; F222-W374 VanDerWaalsContact CZ-CH2 3.41Å; F222-W374 AromaticContact CZ-CZ2 3.94Å; F222-W374 HydrophobicContact CZ-CZ2 3.94Å; F222-W374 HydrophobicContact CZ-CZ3 4.32Å; P312-W374 PolarHBondContact O-NE1 3.05Å; Y313-W374 VanDerWaalsContact C-CD1 3.44Å; Y313-W374 PolarHBondContact O-NE1 3.47Å; R315-W374 HydrophobicContact CB-CB 4.27Å; R315-W374 HydrophobicContact CB-CD2 3.58Å; R315-W374 HydrophobicContact CB-CE3 3.7Å; R315-W374 HydrophobicContact CB-CG 3.88Å; R315-W374 HydrophobicContact CB-CZ3 4.22Å; R315-W374 HydrophobicContact CG-CB 4.41Å; R315-W374 HydrophobicContact CG-CG 4.48Å; V321-W374 HydrophobicContact CG1-CE3 4.48Å; V321-W374 HydrophobicContact CG1-CZ3 3.7Å; C371-W374 HydrophobicContact CB-CD2 3.88Å; C371-W374 HydrophobicContact CB-CE3 3.51Å; C371-W374 HydrophobicContact CB-CH2 3.7Å; C371-W374 HydrophobicContact CB-CZ2 4.03Å; C371-W374 HydrophobicContact CB-CZ3 3.4Å; C371-W374 WeakPolarHBondContact O-CB 3.28Å; C371-W374 PolarHBondContact O-N 3.43Å; C371-W374 VanDerWaalsContact O-N 3.14Å; W374-Y376 PolarHBondContact O-N 3.03Å; W374-V377 HydrophobicContact CE3-CB 4.2Å; W374-V377 HydrophobicContact CE3-CG2 3.93Å; W374-V377 HydrophobicContact CZ3-CG2 4.2Å
375	D	92.1	Very high	97.1	Very high	171 Å²	171	55.1 Å²	55.1	91%	0.914	28%	0.275	S	S	*	.	S	Bend	trans	-54.6	-29.4	-177.9	-62.1	-28.4	0	0	0	113.8
376	Y	94.5	Very high	97	Very high	126 Å²	126	53.8 Å²	53.8	49%	0.494	27%	0.27	S	S	.	.	S	Bend	trans	-149.9	146.4	172.8	179.2	-111.9	0	0	0	108.3	R315 W374 N378	R315-Y376 WeakPolarHBondContact CD-O 3.41Å; R315-Y376 PolarHBondContact NH1-O 3.19Å; W374-Y376 PolarHBondContact O-N 3.03Å; Y376-N378 PolarHBondContact OH-OD1 2.92Å
377	V	97.1	Very high	96.9	Very high	27 Å²	27	51.3 Å²	51.3	16%	0.164	26%	0.259	C	S	.	.			trans	-163.6	142.8	169	68.6	0	0	0	0	109.5	V321 C323 C371 W374 L379	V321-V377 HydrophobicContact CG1-CG2 4.46Å; C323-V377 HydrophobicContact CB-CG2 3.5Å; C371-V377 HydrophobicContact CB-CG2 4.49Å; C371-V377 WeakPolarHBondContact O-CG1 3.46Å; W374-V377 HydrophobicContact CE3-CB 4.2Å; W374-V377 HydrophobicContact CE3-CG2 3.93Å; W374-V377 HydrophobicContact CZ3-CG2 4.2Å; V377-L379 HydrophobicContact CG1-CB 4.48Å; V377-L379 PolarHBondContact O-N 2.84Å
378	N	97.7	Very high	96.7	Very high	39 Å²	39	55.6 Å²	55.6	21%	0.209	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	103.8	167.9	-67.7	-71.1	0	0	0	108.2	V321 Y322 C323 Y376	V321-N378 PolarHBondContact O-N 3.43Å; Y322-N378 CarbonylContact C-O 3.42Å; Y322-N378 VanDerWaalsContact CA-O 3.24Å; Y322-N378 WeakPolarHBondContact CA-O 3.21Å; Y322-N378 HydrophobicContact CD1-CB 3.37Å; Y322-N378 HydrophobicContact CE1-CB 3.7Å; Y322-N378 HydrophobicContact CG-CB 4.05Å; C323-N378 PolarHBondContact N-O 2.83Å; Y376-N378 PolarHBondContact OH-OD1 2.92Å
379	L	97.9	Very high	96.5	Very high	79 Å²	79	59.5 Å²	59.5	41%	0.414	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	133.1	-175	-177.5	63.8	0	0	0	111.2	C323 Y325 N372 V377 V381	C323-L379 HydrophobicContact CB-CD1 4.36Å; C323-L379 WeakPolarHBondContact O-CA 3.45Å; Y325-L379 HydrophobicContact CD1-CD1 4.26Å; Y325-L379 HydrophobicContact CE1-CD1 3.47Å; Y325-L379 VanDerWaalsContact CE1-CD1 3.47Å; N372-L379 WeakPolarHBondContact OD1-CD1 3.35Å; V377-L379 HydrophobicContact CG1-CB 4.48Å; V377-L379 PolarHBondContact O-N 2.84Å; L379-V381 HydrophobicContact CD1-CG2 3.95Å; L379-V381 HydrophobicContact CD2-CG2 4.06Å; L379-V381 HydrophobicContact CG-CG2 3.9Å
380	A	97.8	Very high	96.5	Very high	17 Å²	17	58.3 Å²	58.3	14%	0.14	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	119.1	164.7	0	0	0	0	0	109.6	C323 I324 Y325 Y399	C323-A380 PolarHBondContact O-N 3.17Å; I324-A380 VanDerWaalsContact CA-O 3.28Å; I324-A380 WeakPolarHBondContact CA-O 3.44Å; I324-A380 HydrophobicContact CG1-CB 4.19Å; I324-A380 HydrophobicContact CG2-CB 4.36Å; Y325-A380 PolarHBondContact N-O 3.34Å; A380-Y399 HydrophobicContact CB-CE1 4.22Å; A380-Y399 HydrophobicContact CB-CE2 4.49Å
381	V	98.1	Very high	96.4	Very high	63 Å²	63	58.2 Å²	58.2	38%	0.382	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	124.2	178.3	-174.6	0	0	0	0	108.5	Y325 I327 L379	Y325-V381 HydrophobicContact CD2-CG1 4.25Å; Y325-V381 HydrophobicContact CD2-CG2 4.49Å; Y325-V381 HydrophobicContact CE1-CG2 4.34Å; Y325-V381 HydrophobicContact CE2-CB 4.44Å; Y325-V381 HydrophobicContact CE2-CG1 3.89Å; Y325-V381 HydrophobicContact CE2-CG2 3.78Å; Y325-V381 WeakPolarHBondContact O-CA 3.07Å; I327-V381 HydrophobicContact CB-CG1 4.43Å; I327-V381 HydrophobicContact CD1-CG1 3.89Å; I327-V381 HydrophobicContact CG1-CG1 3.87Å; I327-V381 HydrophobicContact CG2-CG1 3.76Å; L379-V381 HydrophobicContact CD1-CG2 3.95Å; L379-V381 HydrophobicContact CD2-CG2 4.06Å; L379-V381 HydrophobicContact CG-CG2 3.9Å
382	L	97.8	Very high	96.3	Very high	16 Å²	16	60.2 Å²	60.2	8%	0.084	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	157.5	170.4	-78.2	71.6	0	0	0	108.8	I324 Y325 S326 I327 I390 D393 R395 F396	I324-L382 HydrophobicContact CG2-CD1 3.96Å; Y325-L382 PolarHBondContact O-N 2.92Å; S326-L382 CarbonylContact C-O 3.59Å; S326-L382 VanDerWaalsContact CA-O 3.24Å; S326-L382 WeakPolarHBondContact CA-O 3.45Å; I327-L382 PolarHBondContact N-O 3.49Å; L382-I390 HydrophobicContact CD2-CG1 4.34Å; L382-D393 HydrophobicContact CD2-CB 4.13Å; L382-R395 HydrophobicContact CD2-CB 4.09Å; L382-F396 HydrophobicContact CD2-CB 3.93Å
383	E	96.3	Very high	96.2	Very high	97 Å²	97	57.9 Å²	57.9	45%	0.453	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	144.5	174.2	-61.2	-170.6	174	0	0	110.2	I327 T385 R395	I327-E383 HydrophobicContact CD1-CG 4.21Å; I327-E383 HydrophobicContact CG1-CG 3.92Å; E383-T385 VanDerWaalsContact C-N 3.31Å; E383-T385 PolarHBondContact O-N 2.98Å; E383-R395 PolarHBondContact O-NH1 3.08Å; E383-R395 PolarHBondContact O-NH2 3.02Å
384	Q	94.9	Very high	96.2	Very high	146 Å²	146	56.3 Å²	56.3	68%	0.682	29%	0.286	S	S	*	.	S	Bend	trans	59.7	36.5	171.7	-56.2	-173.9	34.5	0	0	114.5	I327 N328 I329	I327-Q384 PolarHBondContact O-N 3.31Å; N328-Q384 HydrophobicContact CB-CG 4.37Å; I329-Q384 HydrophobicContact CD1-CB 4.41Å
385	T	95.9	Very high	96.3	Very high	8 Å²	8	61.1 Å²	61.1	5%	0.049	31%	0.305	C	S	.	.			trans	-116.5	132.8	167.9	-44.9	0	0	0	0	110.1	S326 I329 E383 D389 I390 D393 R395	S326-T385 WeakPolarHBondContact CB-O 3.04Å; S326-T385 PolarHBondContact OG-N 3.27Å; S326-T385 PolarHBondContact OG-O 3.33Å; I329-T385 WeakPolarHBondContact CG1-O 3.34Å; E383-T385 VanDerWaalsContact C-N 3.31Å; E383-T385 PolarHBondContact O-N 2.98Å; T385-D389 VanDerWaalsContact CG2-C 3.49Å; T385-D389 HydrophobicContact CG2-CB 3.82Å; T385-I390 HydrophobicContact CG2-CB 4.13Å; T385-D393 HydrophobicContact CG2-CB 4.02Å; T385-D393 PolarHBondContact OG1-OD2 3.39Å; T385-R395 PolarHBondContact OG1-NH2 3.49Å
386	S	95.9	Very high	96.6	Very high	26 Å²	26	53 Å²	53	18%	0.182	26%	0.261	C	S	.	.			trans	-67.2	164.7	176.6	77.4	0	0	0	0	111.6	D360 E388 D389 I390	D360-S386 CarbonylContact O-C 3.56Å; D360-S386 VanDerWaalsContact O-CA 3.27Å; D360-S386 WeakPolarHBondContact O-CA 3.42Å; S386-E388 VanDerWaalsContact C-N 3.27Å; S386-E388 PolarHBondContact O-N 3.21Å; S386-D389 PolarHBondContact O-N 2.98Å; S386-D389 WeakPolarHBondContact OG-CB 3.36Å; S386-D389 PolarHBondContact OG-N 3.33Å; S386-D389 PolarHBondContact OG-OD2 3.16Å; S386-I390 PolarHBondContact O-N 2.94Å; S386-I390 VanDerWaalsContact O-N 3.12Å
387	H	97.1	Very high	96.7	Very high	7 Å²	7	47.5 Å²	47.5	3%	0.032	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-44.8	177.9	-172.9	75.7	0	0	0	111.5	H189 S190 S219 D360 V363 I390	H189-H387 PolarHBondContact CE1-O 3.07Å; H189-H387 PolarHBondContact NE2-O 3.2Å; S190-H387 WeakPolarHBondContact CB-NE2 3.31Å; S190-H387 PolarHBondContact OG-CE1 2.72Å; S190-H387 PolarHBondContact OG-NE2 3.28Å; S219-H387 PolarHBondContact O-CE1 2.58Å; S219-H387 VanDerWaalsContact O-CE1 3.31Å; D360-H387 HydrophobicContact CB-CB 4.33Å; D360-H387 VanDerWaalsContact CG-ND1 3.32Å; D360-H387 PolarHBondContact O-N 3.35Å; D360-H387 IonicContact OD1-CG 3.8Å; D360-H387 IonicContact OD1-ND1 2.79Å; D360-H387 PolarHBondContact OD1-ND1 2.6Å; D360-H387 IonicContact OD2-CE1 2.73Å; D360-H387 IonicContact OD2-CG 3.4Å; D360-H387 IonicContact OD2-ND1 3.8Å; D360-H387 PolarHBondContact OD2-ND1 3.08Å; V363-H387 VanDerWaalsContact CG2-CE1 3.41Å; V363-H387 WeakPolarHBondContact CG2-CE1 3.13Å; H387-I390 WeakPolarHBondContact O-CG2 3.5Å
388	E	92.9	Very high	96.7	Very high	90 Å²	90	53 Å²	53	42%	0.421	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-32	-179	-62	72.8	-156.6	0	0	112.6	T362 S386 V391	T362-E388 PolarHBondContact OG1-OE1 3Å; S386-E388 VanDerWaalsContact C-N 3.27Å; S386-E388 PolarHBondContact O-N 3.21Å; E388-V391 VanDerWaalsContact O-CG2 3.25Å; E388-V391 WeakPolarHBondContact O-CG2 3.41Å
389	D	94.8	Very high	96.6	Very high	83 Å²	83	54.3 Å²	54.3	44%	0.444	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-81.1	-14.6	-175.5	-63.5	-38.3	0	0	0	113.3	T385 S386 V391 Q392 D393	T385-D389 VanDerWaalsContact CG2-C 3.49Å; T385-D389 HydrophobicContact CG2-CB 3.82Å; S386-D389 PolarHBondContact O-N 2.98Å; S386-D389 WeakPolarHBondContact OG-CB 3.36Å; S386-D389 PolarHBondContact OG-N 3.33Å; S386-D389 PolarHBondContact OG-OD2 3.16Å; D389-V391 PolarHBondContact O-N 3.13Å; D389-Q392 CarbonylContact O-C 3.58Å; D389-Q392 WeakPolarHBondContact O-CA 3.45Å; D389-Q392 WeakPolarHBondContact O-CB 3.3Å; D389-Q392 PolarHBondContact O-N 3.15Å; D389-D393 PolarHBondContact O-N 3.19Å
390	I	97.3	Very high	96.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-58.9	-34.8	-178.5	-163.1	173.1	0	0	0	112.8	V218 S219 I324 L382 T385 S386 H387 Q392 D393 F396	V218-I390 HydrophobicContact CG1-CB 4.48Å; V218-I390 HydrophobicContact CG1-CD1 3.89Å; V218-I390 HydrophobicContact CG1-CG1 4.12Å; V218-I390 HydrophobicContact CG1-CG2 3.59Å; S219-I390 WeakPolarHBondContact OG-CD1 3.41Å; I324-I390 HydrophobicContact CG2-CD1 4.36Å; L382-I390 HydrophobicContact CD2-CG1 4.34Å; T385-I390 HydrophobicContact CG2-CB 4.13Å; S386-I390 PolarHBondContact O-N 2.94Å; S386-I390 VanDerWaalsContact O-N 3.12Å; H387-I390 WeakPolarHBondContact O-CG2 3.5Å; I390-Q392 PolarHBondContact O-N 3.38Å; I390-D393 PolarHBondContact O-N 3.18Å; I390-F396 WeakPolarHBondContact O-CB 3.32Å; I390-F396 WeakPolarHBondContact O-CD1 3.29Å; I390-F396 WeakPolarHBondContact O-CG 3.38Å
391	V	96.8	Very high	96.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-73.4	-6.3	176	-67.4	0	0	0	0	112.9	Y127 I131 H189 V218 E388 D389	Y127-V391 HydrophobicContact CD2-CG2 4.16Å; Y127-V391 HydrophobicContact CE2-CG2 4.17Å; Y127-V391 WeakPolarHBondContact O-CG2 3.24Å; I131-V391 HydrophobicContact CD1-CB 3.84Å; I131-V391 HydrophobicContact CD1-CG1 4.11Å; I131-V391 HydrophobicContact CG1-CB 4.39Å; I131-V391 WeakPolarHBondContact CG1-O 3.32Å; H189-V391 HydrophobicContact CB-CG1 3.98Å; V218-V391 HydrophobicContact CG1-CG1 4.47Å; E388-V391 VanDerWaalsContact O-CG2 3.25Å; E388-V391 WeakPolarHBondContact O-CG2 3.41Å; D389-V391 PolarHBondContact O-N 3.13Å
392	Q	95.5	Very high	96.4	Very high	42 Å²	42	57.3 Å²	57.3	20%	0.196	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-114.5	-1.8	177.9	-67.6	-176.5	100.8	0	0	112.2	S126 Y127 L130 D389 I390	S126-Q392 PolarHBondContact OG-OE1 3.31Å; Y127-Q392 WeakPolarHBondContact O-CG 3.36Å; L130-Q392 HydrophobicContact CB-CB 4.44Å; L130-Q392 HydrophobicContact CB-CG 4.25Å; L130-Q392 HydrophobicContact CD1-CB 3.79Å; L130-Q392 HydrophobicContact CD1-CG 4.15Å; L130-Q392 HydrophobicContact CG-CB 4.32Å; L130-Q392 HydrophobicContact CG-CG 4.15Å; D389-Q392 CarbonylContact O-C 3.58Å; D389-Q392 WeakPolarHBondContact O-CA 3.45Å; D389-Q392 WeakPolarHBondContact O-CB 3.3Å; D389-Q392 PolarHBondContact O-N 3.15Å; I390-Q392 PolarHBondContact O-N 3.38Å
393	D	96.7	Very high	96.3	Very high	23 Å²	23	57.5 Å²	57.5	12%	0.123	27%	0.268	C	S	.	.			trans	-76.6	126.9	-175.7	-168.9	-68.5	0	0	0	112.5	L382 T385 D389 I390 R395 F396 L397	L382-D393 HydrophobicContact CD2-CB 4.13Å; T385-D393 HydrophobicContact CG2-CB 4.02Å; T385-D393 PolarHBondContact OG1-OD2 3.39Å; D389-D393 PolarHBondContact O-N 3.19Å; I390-D393 PolarHBondContact O-N 3.18Å; D393-R395 PolarHBondContact O-N 3.07Å; D393-R395 VanDerWaalsContact O-N 3.13Å; D393-R395 WeakPolarHBondContact OD1-CA 3.32Å; D393-R395 WeakPolarHBondContact OD1-CB 3.38Å; D393-R395 WeakPolarHBondContact OD1-CG 3.43Å; D393-R395 IonicContact OD1-CZ 3.44Å; D393-R395 PolarHBondContact OD1-N 2.98Å; D393-R395 IonicContact OD1-NE 3.39Å; D393-R395 PolarHBondContact OD1-NE 3.45Å; D393-R395 IonicContact OD1-NH2 3.36Å; D393-R395 IonicContact OD2-CZ 2.79Å; D393-R395 IonicContact OD2-NE 2.91Å; D393-R395 PolarHBondContact OD2-NE 3.09Å; D393-R395 IonicContact OD2-NH2 3.77Å; D393-R395 PolarHBondContact OD2-NH2 3.39Å; D393-F396 HydrophobicContact CB-CB 4.12Å; D393-F396 WeakPolarHBondContact O-CA 3.23Å; D393-F396 WeakPolarHBondContact O-CB 3.48Å; D393-F396 PolarHBondContact O-N 3.31Å; D393-L397 WeakPolarHBondContact O-CG 3.34Å; D393-L397 PolarHBondContact O-N 3.4Å
394	D	97.3	Very high	96.3	Very high	107 Å²	107	52.9 Å²	52.9	57%	0.572	25%	0.247	S	C	*	.	H	α-helix	trans	-55.6	-33.3	179.9	-77.7	-17.1	0	0	0	113.8	K398	D394-K398 WeakPolarHBondContact O-CB 3.33Å; D394-K398 WeakPolarHBondContact O-CD 3.33Å; D394-K398 WeakPolarHBondContact O-CG 3.35Å; D394-K398 PolarHBondContact O-N 3.38Å
395	R	97.6	Very high	96.3	Very high	117 Å²	117	47 Å²	47	44%	0.442	22%	0.22	S	C	.	.	H	α-helix	trans	-68.8	-43	177.6	-57.5	167.4	-72.6	-177.5	-5.8	110	L382 E383 T385 D393 Y399	L382-R395 HydrophobicContact CD2-CB 4.09Å; E383-R395 PolarHBondContact O-NH1 3.08Å; E383-R395 PolarHBondContact O-NH2 3.02Å; T385-R395 PolarHBondContact OG1-NH2 3.49Å; D393-R395 PolarHBondContact O-N 3.07Å; D393-R395 VanDerWaalsContact O-N 3.13Å; D393-R395 WeakPolarHBondContact OD1-CA 3.32Å; D393-R395 WeakPolarHBondContact OD1-CB 3.38Å; D393-R395 WeakPolarHBondContact OD1-CG 3.43Å; D393-R395 IonicContact OD1-CZ 3.44Å; D393-R395 PolarHBondContact OD1-N 2.98Å; D393-R395 IonicContact OD1-NE 3.39Å; D393-R395 PolarHBondContact OD1-NE 3.45Å; D393-R395 IonicContact OD1-NH2 3.36Å; D393-R395 IonicContact OD2-CZ 2.79Å; D393-R395 IonicContact OD2-NE 2.91Å; D393-R395 PolarHBondContact OD2-NE 3.09Å; D393-R395 IonicContact OD2-NH2 3.77Å; D393-R395 PolarHBondContact OD2-NH2 3.39Å; R395-Y399 WeakPolarHBondContact O-CB 3.48Å; R395-Y399 PolarHBondContact O-N 3.44Å
396	F	97.9	Very high	95.8	Very high	1 Å²	1	49.9 Å²	49.9	0%	0.004	24%	0.235	C	C	.	.	H	α-helix	trans	-64	-47	174.7	170.2	-109.9	0	0	0	111.2	I131 L187 V218 I324 L382 I390 D393 K398 Y399 L400	I131-F396 HydrophobicContact CD1-CE1 3.9Å; I131-F396 HydrophobicContact CG1-CE1 4.22Å; L187-F396 HydrophobicContact CD1-CZ 3.99Å; V218-F396 HydrophobicContact CG1-CE2 4.39Å; V218-F396 HydrophobicContact CG1-CZ 4.5Å; V218-F396 HydrophobicContact CG2-CE2 3.67Å; V218-F396 HydrophobicContact CG2-CZ 3.69Å; I324-F396 HydrophobicContact CD1-CD2 4.14Å; I324-F396 HydrophobicContact CD1-CE2 3.73Å; I324-F396 HydrophobicContact CG2-CD2 4.04Å; I324-F396 HydrophobicContact CG2-CE2 4.4Å; L382-F396 HydrophobicContact CD2-CB 3.93Å; I390-F396 WeakPolarHBondContact O-CB 3.32Å; I390-F396 WeakPolarHBondContact O-CD1 3.29Å; I390-F396 WeakPolarHBondContact O-CG 3.38Å; D393-F396 HydrophobicContact CB-CB 4.12Å; D393-F396 WeakPolarHBondContact O-CA 3.23Å; D393-F396 WeakPolarHBondContact O-CB 3.48Å; D393-F396 PolarHBondContact O-N 3.31Å; F396-K398 VanDerWaalsContact C-N 3.33Å; F396-K398 PolarHBondContact O-N 2.92Å; F396-Y399 WeakPolarHBondContact O-CB 3.49Å; F396-Y399 PolarHBondContact O-N 3.24Å; F396-Y399 VanDerWaalsContact O-N 3.11Å; F396-L400 HydrophobicContact CE1-CD2 4.29Å; F396-L400 HydrophobicContact CZ-CB 4.5Å; F396-L400 HydrophobicContact CZ-CD2 4.25Å; F396-L400 WeakPolarHBondContact O-CB 3.22Å; F396-L400 PolarHBondContact O-N 3.42Å
397	L	97.9	Very high	94.5	Very high	10 Å²	10	56.5 Å²	56.5	5%	0.052	27%	0.268	C	S	.	.	H	α-helix	trans	-60.5	-41.7	179.5	-64.3	173.2	0	0	0	111.8	L130 I131 D393 L400 M401	L130-L397 HydrophobicContact CB-CD1 3.98Å; I131-L397 HydrophobicContact CB-CD2 4.31Å; I131-L397 HydrophobicContact CG1-CD2 3.85Å; D393-L397 WeakPolarHBondContact O-CG 3.34Å; D393-L397 PolarHBondContact O-N 3.4Å; L397-L400 PolarHBondContact O-N 3.15Å; L397-M401 WeakPolarHBondContact O-CG 3.06Å; L397-M401 PolarHBondContact O-N 3.49Å
398	K	96.5	Very high	94.4	Very high	141 Å²	141	59 Å²	59	61%	0.613	28%	0.28	S	S	*	.	H	α-helix	trans	-63.7	-41.3	173.6	-75.2	169.1	-175.2	170.9	0	112.4	D394 F396 K402	D394-K398 WeakPolarHBondContact O-CB 3.33Å; D394-K398 WeakPolarHBondContact O-CD 3.33Å; D394-K398 WeakPolarHBondContact O-CG 3.35Å; D394-K398 PolarHBondContact O-N 3.38Å; F396-K398 VanDerWaalsContact C-N 3.33Å; F396-K398 PolarHBondContact O-N 2.92Å; K398-K402 WeakPolarHBondContact O-CG 3.42Å; K398-K402 PolarHBondContact O-N 2.99Å
399	Y	96.4	Very high	94.4	Very high	67 Å²	67	57.3 Å²	57.3	26%	0.263	27%	0.273	S	S	.	.	H	α-helix	trans	-64	-45.5	176.2	-176.1	-103.9	0	0	0	111.3	Y322 I324 A380 R395 F396 M401 K402 L403	Y322-Y399 HydrophobicContact CD1-CE1 4.41Å; Y322-Y399 WeakPolarHBondContact CD1-OH 3.38Å; I324-Y399 HydrophobicContact CD1-CD1 3.8Å; I324-Y399 HydrophobicContact CD1-CE1 3.71Å; I324-Y399 HydrophobicContact CG1-CE1 4.32Å; A380-Y399 HydrophobicContact CB-CE1 4.22Å; A380-Y399 HydrophobicContact CB-CE2 4.49Å; R395-Y399 WeakPolarHBondContact O-CB 3.48Å; R395-Y399 PolarHBondContact O-N 3.44Å; F396-Y399 WeakPolarHBondContact O-CB 3.49Å; F396-Y399 PolarHBondContact O-N 3.24Å; F396-Y399 VanDerWaalsContact O-N 3.11Å; Y399-M401 PolarHBondContact O-N 3.26Å; Y399-K402 PolarHBondContact O-N 3.47Å; Y399-L403 HydrophobicContact CD1-CD1 4.07Å; Y399-L403 HydrophobicContact CD1-CG 4.45Å; Y399-L403 HydrophobicContact CE1-CD1 3.6Å; Y399-L403 HydrophobicContact CE1-CD2 4.48Å; Y399-L403 HydrophobicContact CE1-CG 4.13Å; Y399-L403 PolarHBondContact O-N 3.05Å
400	L	97.7	Very high	94.4	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-58.7	-46.6	177.1	-178.4	61.3	0	0	0	111.6	I40 I131 L187 I216 F396 L397 K402 L403 L404	I40-L400 HydrophobicContact CD1-CD1 3.99Å; I131-L400 HydrophobicContact CG2-CD2 3.86Å; L187-L400 HydrophobicContact CD1-CD1 3.94Å; L187-L400 HydrophobicContact CD1-CD2 3.98Å; I216-L400 HydrophobicContact CD1-CD1 3.55Å; F396-L400 HydrophobicContact CE1-CD2 4.29Å; F396-L400 HydrophobicContact CZ-CB 4.5Å; F396-L400 HydrophobicContact CZ-CD2 4.25Å; F396-L400 WeakPolarHBondContact O-CB 3.22Å; F396-L400 PolarHBondContact O-N 3.42Å; L397-L400 PolarHBondContact O-N 3.15Å; L400-K402 VanDerWaalsContact C-N 3.3Å; L400-K402 PolarHBondContact O-N 3.05Å; L400-L403 WeakPolarHBondContact O-CB 3.32Å; L400-L403 PolarHBondContact O-N 3.05Å; L400-L403 VanDerWaalsContact O-N 3.07Å; L400-L404 HydrophobicContact CD1-CD1 3.88Å; L400-L404 HydrophobicContact CD1-CG 4.13Å; L400-L404 HydrophobicContact CG-CD1 3.85Å; L400-L404 HydrophobicContact CG-CG 4.43Å; L400-L404 WeakPolarHBondContact O-CG 3.35Å; L400-L404 PolarHBondContact O-N 3.31Å; L400-L404 VanDerWaalsContact O-N 3.11Å
401	M	95.8	Very high	94.3	Very high	54 Å²	54	59.2 Å²	59.2	27%	0.266	28%	0.279	S	S	.	.	H	α-helix	trans	-56.6	-42.7	176.8	-77	-59.7	-60	0	0	112.4	L135 L397 Y399 L403 L404 V405	L135-M401 HydrophobicContact CD2-SD 3.59Å; L135-M401 VanDerWaalsContact CD2-SD 3.59Å; L397-M401 WeakPolarHBondContact O-CG 3.06Å; L397-M401 PolarHBondContact O-N 3.49Å; Y399-M401 PolarHBondContact O-N 3.26Å; M401-L403 VanDerWaalsContact C-N 3.28Å; M401-L403 PolarHBondContact O-N 3.35Å; M401-L404 PolarHBondContact O-N 3.01Å; M401-V405 HydrophobicContact CE-CG2 3.85Å; M401-V405 PolarHBondContact O-N 3.47Å
402	K	94.7	Very high	94.1	Very high	166 Å²	166	62.9 Å²	62.9	72%	0.722	30%	0.296	S	S	*	.	H	α-helix	trans	-65.4	-28	177.3	-71	179.5	177.2	-173.4	0	113.7	K398 Y399 L400	K398-K402 WeakPolarHBondContact O-CG 3.42Å; K398-K402 PolarHBondContact O-N 2.99Å; Y399-K402 PolarHBondContact O-N 3.47Å; L400-K402 VanDerWaalsContact C-N 3.3Å; L400-K402 PolarHBondContact O-N 3.05Å
403	L	95.5	Very high	94	Very high	20 Å²	20	64.3 Å²	64.3	11%	0.105	30%	0.303	C	S	.	.	H	α-helix	trans	-75.6	-35.7	175	-67.2	-177.2	0	0	0	112.1	Y185 I216 Y322 Y399 L400 M401	Y185-L403 VanDerWaalsContact CE2-O 3.23Å; Y185-L403 WeakPolarHBondContact CE2-O 3.44Å; Y185-L403 PolarHBondContact OH-O 3.13Å; Y185-L403 VanDerWaalsContact OH-O 3.11Å; I216-L403 HydrophobicContact CD1-CD1 3.81Å; I216-L403 HydrophobicContact CG1-CD1 4.17Å; Y322-L403 HydrophobicContact CD1-CD1 3.8Å; Y322-L403 HydrophobicContact CD1-CD2 3.91Å; Y322-L403 HydrophobicContact CD2-CD1 4.38Å; Y322-L403 HydrophobicContact CE1-CD1 4.04Å; Y322-L403 HydrophobicContact CE1-CD2 3.34Å; Y322-L403 HydrophobicContact CE1-CG 4.35Å; Y322-L403 HydrophobicContact CG-CD1 3.99Å; Y399-L403 HydrophobicContact CD1-CD1 4.07Å; Y399-L403 HydrophobicContact CD1-CG 4.45Å; Y399-L403 HydrophobicContact CE1-CD1 3.6Å; Y399-L403 HydrophobicContact CE1-CD2 4.48Å; Y399-L403 HydrophobicContact CE1-CG 4.13Å; Y399-L403 PolarHBondContact O-N 3.05Å; L400-L403 WeakPolarHBondContact O-CB 3.32Å; L400-L403 PolarHBondContact O-N 3.05Å; L400-L403 VanDerWaalsContact O-N 3.07Å; M401-L403 VanDerWaalsContact C-N 3.28Å; M401-L403 PolarHBondContact O-N 3.35Å
404	L	97.2	Very high	93.8	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-88.6	-24.9	-172.6	-61.9	176.6	0	0	0	113.6	R37 Y38 I40 L135 F141 Y185 L400 M401	R37-L404 CarbonylContact C-O 3.46Å; R37-L404 VanDerWaalsContact CA-O 3.28Å; R37-L404 WeakPolarHBondContact CA-O 3.03Å; Y38-L404 PolarHBondContact N-O 3.46Å; I40-L404 HydrophobicContact CB-CD1 4.41Å; I40-L404 HydrophobicContact CB-CD2 4.15Å; I40-L404 HydrophobicContact CD1-CD1 3.91Å; I40-L404 HydrophobicContact CD1-CD2 4.18Å; I40-L404 HydrophobicContact CG2-CD1 4.28Å; L135-L404 HydrophobicContact CD1-CD1 4.32Å; L135-L404 HydrophobicContact CD2-CD1 3.38Å; F141-L404 HydrophobicContact CE1-CB 4.23Å; F141-L404 HydrophobicContact CE1-CD1 4.09Å; F141-L404 HydrophobicContact CZ-CB 3.77Å; F141-L404 HydrophobicContact CZ-CD1 4.23Å; Y185-L404 HydrophobicContact CD2-CD2 3.34Å; Y185-L404 HydrophobicContact CE2-CD2 3.98Å; Y185-L404 HydrophobicContact CG-CD2 3.81Å; L400-L404 HydrophobicContact CD1-CD1 3.88Å; L400-L404 HydrophobicContact CD1-CG 4.13Å; L400-L404 HydrophobicContact CG-CD1 3.85Å; L400-L404 HydrophobicContact CG-CG 4.43Å; L400-L404 WeakPolarHBondContact O-CG 3.35Å; L400-L404 PolarHBondContact O-N 3.31Å; L400-L404 VanDerWaalsContact O-N 3.11Å; M401-L404 PolarHBondContact O-N 3.01Å
405	V	94	Very high	93.5	Very high	21 Å²	21	64.2 Å²	64.2	13%	0.127	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	112.8	179.8	-171	0	0	0	0	108.7	N35 R37 F141 M401	N35-V405 HydrophobicContact CB-CG1 4.37Å; R37-V405 HydrophobicContact CG-CB 4.39Å; R37-V405 HydrophobicContact CG-CG1 4.08Å; R37-V405 HydrophobicContact CG-CG2 3.99Å; F141-V405 HydrophobicContact CE2-CG2 4.06Å; F141-V405 HydrophobicContact CZ-CG2 4.25Å; M401-V405 HydrophobicContact CE-CG2 3.85Å; M401-V405 PolarHBondContact O-N 3.47Å
406	I	86.5	Confident	93.2	Very high	69 Å²	69	59.8 Å²	59.8	35%	0.354	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	117.4	174.6	-61.2	-175.6	0	0	0	107.9	N35 I36 Y38	N35-I406 CarbonylContact C-O 3.59Å; N35-I406 VanDerWaalsContact CA-O 3.23Å; N35-I406 WeakPolarHBondContact CA-O 3.17Å; N35-I406 VanDerWaalsContact CB-O 3.22Å; N35-I406 WeakPolarHBondContact CB-O 3.37Å; I36-I406 HydrophobicContact CB-CB 4.42Å; I36-I406 PolarHBondContact N-O 3.26Å; I36-I406 PolarHBondContact O-N 3.28Å; Y38-I406 HydrophobicContact CE2-CD1 3.5Å; Y38-I406 VanDerWaalsContact CE2-CD1 3.5Å; Y38-I406 HydrophobicContact CE2-CG1 3.9Å
407	D	68.4	Low	92.8	Very high	165 Å²	165	65.1 Å²	65.1	88%	0.882	31%	0.309	S	S	*	.			trans	-66.2	0	172.8	-64.8	-27.5	0	0	0	113.3	N35	N35-D407 PolarHBondContact ND2-OD1 3.44Å; N35-D407 PolarHBondContact OD1-OXT 3.17Å

Retrieved 407 of 407 residues in 379.3 ms (Link to these results)

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