A0A077YWJ2_TRITR Loading...

Pseudouridylate synthase 1 homolog

Pseudouridylate synthase that catalyzes pseudouridylation of tRNAs and mRNAs. Acts on positions 27/28 in the anticodon stem and also positions 34 and 36 in the anticodon of an intron containing tRNA. Also catalyzes pseudouridylation of mRNAs: mediates pseudouridylation of mRNAs with the consensus sequence 5'-UGUAG-3'. Acts as a regulator of pre-mRNA splicing by mediating pseudouridylation of pre-mRNAs at locations associated with alternatively spliced regions. Pseudouridylation of pre-mRNAs near splice sites directly regulates mRNA splicing and mRNA 3'-end processing. Involved in regulation of nuclear receptor activity through pseudouridylation of SRA1 mRNA.

AlphaFold DB , UniProt , Accession A0A077YWJ2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 349 aa.

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(Predicted Aligned Error values between residue pairs)

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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	37.9	Very low	33.1	Very low	244 Å²	244	149 Å²	149	100%	1.202	83%	0.83	S	S	*	*				0	113.8	0	-93.7	165.9	129.8	0	0	106.6
2	G	33.5	Very low	32.8	Very low	85 Å²	85	151.5 Å²	151.5	88%	0.876	83%	0.826	S	S	*	*			trans	-76.3	129.9	-180	0	0	0	0	0	110.2
3	E	35.6	Very low	32.6	Very low	190 Å²	190	150.5 Å²	150.5	89%	0.888	82%	0.819	S	S	*	*			trans	-104.6	115.3	166.9	-76.2	-174.1	161.1	0	0	108.6	V5	E3-V5 PolarHBondContact O-N 3.23Å
4	N	33.6	Very low	32.4	Very low	167 Å²	167	152.1 Å²	152.1	89%	0.893	82%	0.819	S	S	*	*			trans	-62.7	121	-179.9	-109.4	-32	0	0	0	110.5	A6	N4-A6 PolarHBondContact O-N 3.28Å
5	V	34.7	Very low	32.2	Very low	130 Å²	130	153.9 Å²	153.9	79%	0.788	83%	0.827	S	S	*	*			trans	-84	107.3	164.1	-178.9	0	0	0	0	107.1	E3 E7	E3-V5 PolarHBondContact O-N 3.23Å; V5-E7 PolarHBondContact O-N 3.11Å
6	A	34.5	Very low	32.1	Very low	84 Å²	84	151.4 Å²	151.4	69%	0.694	82%	0.822	S	S	*	*			trans	-76.4	102.9	177.1	0	0	0	0	0	110.4	N4 H8	N4-A6 PolarHBondContact O-N 3.28Å; A6-H8 PolarHBondContact O-N 3.31Å
7	E	30.6	Very low	32.1	Very low	165 Å²	165	152.8 Å²	152.8	77%	0.771	83%	0.827	S	S	*	*			trans	-75.3	111.7	165.6	-74.5	-176.9	155.6	0	0	110	V5 N9	V5-E7 PolarHBondContact O-N 3.11Å; E7-N9 PolarHBondContact O-N 3.45Å; E7-N9 VanDerWaalsContact O-N 3.11Å
8	H	32.1	Very low	31.8	Very low	186 Å²	186	155.7 Å²	155.7	86%	0.861	83%	0.831	S	S	*	*			trans	-77.9	88.9	169.5	-84.7	-71.1	0	0	0	110.6	A6 N10	A6-H8 PolarHBondContact O-N 3.31Å; H8-N10 PolarHBondContact O-N 3.24Å
9	N	30.4	Very low	31.6	Very low	136 Å²	136	160.4 Å²	160.4	73%	0.727	84%	0.835	S	S	*	*			trans	-69.7	108.6	162.4	-84.8	-35.3	0	0	0	109.8	E7 V11	E7-N9 PolarHBondContact O-N 3.45Å; E7-N9 VanDerWaalsContact O-N 3.11Å; N9-V11 PolarHBondContact O-N 3.47Å
10	N	31.7	Very low	31.4	Very low	137 Å²	137	159.1 Å²	159.1	73%	0.733	83%	0.834	S	S	*	*			trans	-88.5	92.4	175.1	-141	-6.2	0	0	0	108.9	H8 F12	H8-N10 PolarHBondContact O-N 3.24Å; N10-F12 PolarHBondContact O-N 3.47Å; N10-F12 WeakPolarHBondContact OD1-CE2 3.48Å
11	V	29.5	Very low	31.1	Very low	115 Å²	115	162.7 Å²	162.7	70%	0.697	84%	0.837	S	S	*	*			trans	-71	102.6	175.6	178.8	0	0	0	0	108.8	N9	N9-V11 PolarHBondContact O-N 3.47Å
12	F	29.2	Very low	30.5	Very low	179 Å²	179	160.4 Å²	160.4	79%	0.785	82%	0.823	S	S	*	*			trans	-122.7	62.3	159.9	-75.1	-74.4	0	0	0	108.7	N10	N10-F12 PolarHBondContact O-N 3.47Å; N10-F12 WeakPolarHBondContact OD1-CE2 3.48Å
13	D	31	Very low	30	Very low	138 Å²	138	165.5 Å²	165.5	74%	0.738	82%	0.824	S	S	*	*			trans	-96.5	131.2	161.7	-93.5	-27.7	0	0	0	110.1
14	E	28.9	Very low	29.5	Very low	173 Å²	173	162.1 Å²	162.1	81%	0.808	82%	0.822	S	S	*	*			trans	64.2	106.5	148	-58.2	-170	160.9	0	0	120.8
15	L	30.1	Very low	28.9	Very low	179 Å²	179	161.9 Å²	161.9	94%	0.937	82%	0.82	S	S	*	*			trans	-132.2	126.2	144.6	-80.2	173.5	0	0	0	110.7
16	P	30	Very low	28.4	Very low	115 Å²	115	161.4 Å²	161.4	75%	0.747	82%	0.818	S	S	*	*			trans	-97.1	144.4	-175.8	36.1	-31.3	0	0	0	112.4
17	L	32.9	Very low	27.9	Very low	174 Å²	174	165.6 Å²	165.6	91%	0.911	82%	0.823	S	S	*	*			trans	-137.3	89.7	163.6	-79.9	167.9	0	0	0	110.3
18	K	26.7	Very low	27.5	Very low	206 Å²	206	165.2 Å²	165.2	90%	0.896	83%	0.826	S	S	*	*			trans	-72.8	121.4	158.2	-88.6	179.1	174	175	0	107.9
19	R	28.2	Very low	27.2	Very low	244 Å²	244	161.5 Å²	161.5	92%	0.921	82%	0.822	S	S	*	*			trans	-106.9	118.6	158.7	-88.5	-175	174.8	179.3	-2	108.9
20	V	28	Very low	26.9	Very low	134 Å²	134	164 Å²	164	81%	0.812	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-71	137.7	176.8	173.4	0	0	0	0	109.3
21	R	24.4	Very low	26.6	Very low	235 Å²	235	162.7 Å²	162.7	89%	0.887	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-73.8	131.4	173	-82.3	176.2	166.1	172.8	-6.3	109.6
22	Q	25.8	Very low	26.3	Very low	196 Å²	196	160.5 Å²	160.5	92%	0.916	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-101.6	126.9	159.9	-83.8	-179.1	-25.1	0	0	108.5
23	E	21.5	Very low	26.2	Very low	193 Å²	193	161.3 Å²	161.3	90%	0.902	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-87.9	131.9	171.5	-68.4	172.3	163.2	0	0	108.6
24	S	25.5	Very low	26.3	Very low	119 Å²	119	159.3 Å²	159.3	83%	0.832	85%	0.846	S	S	*	*			trans	-150.3	110	159.3	58.3	0	0	0	0	109.4
25	N	21.8	Very low	26.5	Very low	161 Å²	161	160.9 Å²	160.9	86%	0.861	85%	0.851	S	S	*	*			trans	-62.9	137.1	162.3	-72.2	-30.8	0	0	0	110.2
26	T	24.5	Very low	27	Very low	121 Å²	121	160.1 Å²	160.1	74%	0.742	85%	0.847	S	S	*	*				-173.3	121.1	122.7	-5	0	0	0	0	111.4
27	E	22.3	Very low	27.8	Very low	171 Å²	171	158.9 Å²	158.9	80%	0.799	84%	0.838	S	S	*	*			trans	54.5	119.6	131.7	-67.1	173.4	-179.3	0	0	123.7
28	N	22.7	Very low	28.7	Very low	157 Å²	157	159.4 Å²	159.4	84%	0.84	84%	0.836	S	S	*	*			trans	39.7	116.9	130.9	-75.2	-10.2	0	0	0	120.8
29	S	25.6	Very low	30	Very low	109 Å²	109	154.2 Å²	154.2	76%	0.762	81%	0.813	S	S	*	*				-174.5	124.4	116	57.1	0	0	0	0	112.6
30	E	24.6	Very low	31.4	Very low	188 Å²	188	144.5 Å²	144.5	88%	0.879	78%	0.781	S	S	*	*			trans	61.1	96.8	136.2	-60	-176	169.3	0	0	121.4
31	A	25.5	Very low	33	Very low	109 Å²	109	150.4 Å²	150.4	90%	0.901	79%	0.789	S	S	*	*				39.5	98.8	118.9	0	0	0	0	0	119.4
32	G	23.4	Very low	35.5	Very low	70 Å²	70	144.4 Å²	144.4	72%	0.722	77%	0.766	S	S	*	*			trans	-179.8	115.3	157.4	0	0	0	0	0	112
33	E	27.6	Very low	38.5	Very low	196 Å²	196	141.7 Å²	141.7	92%	0.916	75%	0.751	S	S	*	*			trans	60.5	102.7	151.7	-60.1	-177.1	159.5	0	0	120.2
34	A	32	Very low	42	Very low	95 Å²	95	137 Å²	137	79%	0.785	73%	0.728	S	S	*	*				168.2	130.9	108.5	0	0	0	0	0	107.3	D36	A34-D36 PolarHBondContact O-N 2.93Å
35	K	33.6	Very low	45.3	Very low	206 Å²	206	132.1 Å²	132.1	90%	0.896	69%	0.692	S	S	*	*			trans	-54.9	110.6	173.7	-72.7	178.3	176	177.6	0	108	T37	K35-T37 PolarHBondContact O-N 2.81Å
36	D	39.6	Very low	48.9	Very low	163 Å²	163	125 Å²	125	87%	0.872	65%	0.654	S	S	*	*			trans	-47.8	104.1	169.6	-98.5	-35.1	0	0	0	107.6	A34 E38	A34-D36 PolarHBondContact O-N 2.93Å; D36-E38 PolarHBondContact O-N 3.3Å
37	T	47.5	Very low	52.4	Low	89 Å²	89	119.4 Å²	119.4	55%	0.546	62%	0.619	S	S	.	*			trans	-60.3	112.8	167.9	15.2	0	0	0	0	105.5	K35 F39	K35-T37 PolarHBondContact O-N 2.81Å; T37-F39 VanDerWaalsContact C-N 3.25Å; T37-F39 VanDerWaalsContact O-CD2 3.29Å; T37-F39 WeakPolarHBondContact O-CD2 3.29Å; T37-F39 PolarHBondContact O-N 3.23Å
38	E	51.7	Low	56	Low	186 Å²	186	111.2 Å²	111.2	87%	0.869	58%	0.581	S	S	*	*			trans	-63.1	85.8	-173.6	-148.8	-173.8	-176.6	0	0	109.4	D36 V40	D36-E38 PolarHBondContact O-N 3.3Å; E38-V40 PolarHBondContact O-N 3.02Å
39	F	53.5	Low	59.6	Low	96 Å²	96	103.8 Å²	103.8	42%	0.421	54%	0.541	S	S	.	.			trans	-63.8	133.3	179.6	-85.2	-77.9	0	0	0	108.8	T37 R41 T85	T37-F39 VanDerWaalsContact C-N 3.25Å; T37-F39 VanDerWaalsContact O-CD2 3.29Å; T37-F39 WeakPolarHBondContact O-CD2 3.29Å; T37-F39 PolarHBondContact O-N 3.23Å; F39-R41 PolarHBondContact O-N 2.85Å; F39-T85 HydrophobicContact CD1-CG2 4.06Å; F39-T85 HydrophobicContact CE1-CG2 3.52Å; F39-T85 HydrophobicContact CE2-CG2 4.42Å; F39-T85 HydrophobicContact CZ-CG2 3.72Å
40	V	59	Low	63	Low	40 Å²	40	98.6 Å²	98.6	24%	0.242	51%	0.505	C	S	.	.			trans	-59.5	97.2	177.5	179.1	0	0	0	0	109.4	E38 R42 P119	E38-V40 PolarHBondContact O-N 3.02Å; V40-R42 HydrophobicContact CG1-CB 3.74Å; V40-R42 HydrophobicContact CG1-CG 3.37Å; V40-R42 VanDerWaalsContact CG1-CZ 3.44Å; V40-R42 VanDerWaalsContact CG1-NH1 3.28Å; V40-R42 PolarHBondContact O-N 2.7Å; V40-P119 HydrophobicContact CB-CG 4.44Å; V40-P119 HydrophobicContact CG1-CB 4.16Å; V40-P119 HydrophobicContact CG1-CG 4.48Å
41	R	61.4	Low	66.5	Low	258 Å²	258	89.7 Å²	89.7	97%	0.974	46%	0.463	S	S	*	.			trans	-71.1	48.4	172.7	-78.4	-174	172.2	169.9	-0	111.9	F39	F39-R41 PolarHBondContact O-N 2.85Å
42	R	77.3	Confident	70	Confident	110 Å²	110	84.5 Å²	84.5	42%	0.415	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-96.3	155.4	175.1	-67.3	175.4	-165	131.1	8.1	110.8	V40 K44 P119 K121	V40-R42 HydrophobicContact CG1-CB 3.74Å; V40-R42 HydrophobicContact CG1-CG 3.37Å; V40-R42 VanDerWaalsContact CG1-CZ 3.44Å; V40-R42 VanDerWaalsContact CG1-NH1 3.28Å; V40-R42 PolarHBondContact O-N 2.7Å; R42-K44 PolarHBondContact O-N 3.43Å; R42-P119 HydrophobicContact CB-CB 4.07Å; R42-K121 VanDerWaalsContact NH2-CE 3.32Å
43	K	89	Confident	73.6	Confident	139 Å²	139	81.2 Å²	81.2	60%	0.604	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-56.5	123.4	170.6	-177.2	178.3	179.7	-179.8	0	109.2	L45	K43-L45 HydrophobicContact CD-CD2 4.14Å; K43-L45 HydrophobicContact CG-CD2 4.14Å; K43-L45 HydrophobicContact CG-CG 4.42Å
44	K	93.1	Very high	77	Confident	94 Å²	94	74.9 Å²	74.9	41%	0.409	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-80.4	124.3	178.1	-57.7	-178.8	178.8	177.7	0	110.4	R42 Q117 L118 P119	R42-K44 PolarHBondContact O-N 3.43Å; K44-Q117 HydrophobicContact CB-CG 3.74Å; K44-Q117 PolarHBondContact O-NE2 2.94Å; K44-L118 WeakPolarHBondContact CA-O 3.42Å; K44-P119 HydrophobicContact CG-CB 4.29Å
45	L	95.5	Very high	80.1	Confident	16 Å²	16	70.5 Å²	70.5	8%	0.084	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	157.5	-174.3	-64	161	0	0	0	109.7	K43 Y47 Q117 L118 E122	K43-L45 HydrophobicContact CD-CD2 4.14Å; K43-L45 HydrophobicContact CG-CD2 4.14Å; K43-L45 HydrophobicContact CG-CG 4.42Å; L45-Y47 HydrophobicContact CB-CD2 4.5Å; L45-Y47 HydrophobicContact CB-CE2 3.59Å; L45-Y47 VanDerWaalsContact O-CD2 3.27Å; L45-Y47 WeakPolarHBondContact O-CD2 3.35Å; L45-Y47 WeakPolarHBondContact O-CE2 3.49Å; L45-Q117 CarbonylContact O-C 3.47Å; L45-Q117 VanDerWaalsContact O-CA 3.22Å; L45-Q117 WeakPolarHBondContact O-CA 3.49Å; L45-L118 PolarHBondContact N-O 2.74Å; L45-L118 PolarHBondContact O-N 2.8Å; L45-E122 HydrophobicContact CD1-CG 4.24Å
46	K	97	Very high	83.1	Confident	13 Å²	13	64.7 Å²	64.7	6%	0.057	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	133.8	-175.7	-165.2	73.1	173.4	168.8	0	109.7	K96 S115 V116 Q117 T151 T152 F155	K46-K96 VanDerWaalsContact NZ-CB 3.33Å; K46-K96 PolarHBondContact NZ-O 3.42Å; K46-S115 PolarHBondContact NZ-OG 3.03Å; K46-S115 VanDerWaalsContact NZ-OG 3.17Å; K46-V116 WeakPolarHBondContact CA-O 3.47Å; K46-V116 WeakPolarHBondContact CD-O 3.4Å; K46-Q117 HydrophobicContact CD-CB 4.16Å; K46-T151 VanDerWaalsContact CG-OG1 3.25Å; K46-T151 WeakPolarHBondContact CG-OG1 3.42Å; K46-T151 PolarHBondContact O-N 3.45Å; K46-T151 PolarHBondContact O-OG1 3Å; K46-T152 WeakPolarHBondContact CB-O 3.15Å; K46-T152 WeakPolarHBondContact CG-O 3.43Å; K46-F155 WeakPolarHBondContact CE-O 3.4Å; K46-F155 HydrophobicContact CG-CB 4.33Å; K46-F155 PolarHBondContact NZ-O 3.36Å
47	Y	97.7	Very high	85.8	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.008	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	151.4	-178.1	-59.8	-89.8	0	0	0	111.3	L45 S115 V116 L118 L120 T125 V148 V149 R150	L45-Y47 HydrophobicContact CB-CD2 4.5Å; L45-Y47 HydrophobicContact CB-CE2 3.59Å; L45-Y47 VanDerWaalsContact O-CD2 3.27Å; L45-Y47 WeakPolarHBondContact O-CD2 3.35Å; L45-Y47 WeakPolarHBondContact O-CE2 3.49Å; Y47-S115 CarbonylContact O-C 3.37Å; Y47-S115 VanDerWaalsContact O-CA 3.32Å; Y47-S115 WeakPolarHBondContact O-CA 3.43Å; Y47-V116 PolarHBondContact N-O 3.43Å; Y47-V116 PolarHBondContact O-N 3.49Å; Y47-L118 HydrophobicContact CD2-CB 4.3Å; Y47-L118 HydrophobicContact CE2-CB 4.43Å; Y47-L120 HydrophobicContact CD2-CD1 4.3Å; Y47-L120 HydrophobicContact CE1-CD1 4.34Å; Y47-L120 HydrophobicContact CE2-CB 4.18Å; Y47-L120 HydrophobicContact CE2-CD1 4.07Å; Y47-L120 HydrophobicContact CE2-CG 4.16Å; Y47-T125 HydrophobicContact CE1-CG2 4.18Å; Y47-V148 HydrophobicContact CD1-CG1 3.69Å; Y47-V148 HydrophobicContact CE1-CG1 4.32Å; Y47-V148 HydrophobicContact CG-CG1 4.07Å; Y47-V149 CarbonylContact C-O 3.57Å; Y47-V149 WeakPolarHBondContact CA-O 3.27Å; Y47-R150 HydrophobicContact CD1-CB 4.37Å; Y47-R150 HydrophobicContact CE1-CB 4.23Å
48	A	98	Very high	88.2	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	131.4	158.2	0	0	0	0	0	108.9	L50 V113 C114 V148 V149 T151 F155 I319	A48-L50 HydrophobicContact CB-CD1 4.2Å; A48-V113 HydrophobicContact CB-CG1 3.97Å; A48-C114 CarbonylContact C-O 3.55Å; A48-C114 VanDerWaalsContact CA-O 3.31Å; A48-C114 WeakPolarHBondContact CA-O 3.07Å; A48-V148 WeakPolarHBondContact O-CA 3.44Å; A48-V149 HydrophobicContact CB-CB 4.32Å; A48-V149 PolarHBondContact N-O 2.8Å; A48-V149 PolarHBondContact O-N 2.98Å; A48-T151 HydrophobicContact CB-CG2 3.88Å; A48-F155 HydrophobicContact CB-CD1 4.44Å; A48-F155 HydrophobicContact CB-CE1 3.71Å; A48-F155 HydrophobicContact CB-CZ 4.29Å; A48-I319 HydrophobicContact CB-CD1 4.21Å; A48-I319 HydrophobicContact CB-CG1 4.33Å
49	L	98.2	Very high	90.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	122.1	170.5	-51.8	-178.2	0	0	0	108.1	L74 V113 C114 V116 A147 V148	L49-L74 HydrophobicContact CD1-CD1 4.34Å; L49-L74 HydrophobicContact CD1-CD2 4.4Å; L49-V113 WeakPolarHBondContact O-CA 3.44Å; L49-C114 HydrophobicContact CB-CB 4.27Å; L49-C114 PolarHBondContact N-O 3.38Å; L49-C114 PolarHBondContact O-N 3.05Å; L49-V116 HydrophobicContact CD1-CG1 3.85Å; L49-V116 HydrophobicContact CD1-CG2 3.85Å; L49-V116 HydrophobicContact CD2-CG2 3.89Å; L49-V116 HydrophobicContact CG-CG1 4.3Å; L49-V116 HydrophobicContact CG-CG2 3.7Å; L49-A147 CarbonylContact C-O 3.46Å; L49-A147 WeakPolarHBondContact CA-O 3.46Å; L49-V148 HydrophobicContact CD2-CB 4.45Å; L49-V148 HydrophobicContact CD2-CG1 4.19Å; L49-V148 HydrophobicContact CD2-CG2 3.84Å
50	L	98.4	Very high	92.4	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	112.8	175.9	-81.6	61.2	0	0	0	108	A48 V113 M143 A147 V149 I319 S320 W321 V324	A48-L50 HydrophobicContact CB-CD1 4.2Å; L50-V113 HydrophobicContact CD1-CG2 4.33Å; L50-V113 HydrophobicContact CG-CG2 4.34Å; L50-M143 PolarHBondContact O-N 3.2Å; L50-A147 HydrophobicContact CB-CB 3.79Å; L50-A147 PolarHBondContact N-O 3.46Å; L50-A147 WeakPolarHBondContact O-CB 3.44Å; L50-V149 HydrophobicContact CD1-CG2 4.09Å; L50-I319 HydrophobicContact CD1-CG2 4.47Å; L50-S320 WeakPolarHBondContact CD2-O 3.22Å; L50-W321 HydrophobicContact CB-CE3 4.28Å; L50-W321 HydrophobicContact CB-CH2 3.65Å; L50-W321 HydrophobicContact CB-CZ2 4.42Å; L50-W321 HydrophobicContact CB-CZ3 3.57Å; L50-W321 HydrophobicContact CD2-CD2 4.07Å; L50-W321 HydrophobicContact CD2-CE3 3.87Å; L50-W321 HydrophobicContact CD2-CH2 4.3Å; L50-W321 HydrophobicContact CD2-CZ2 4.47Å; L50-W321 HydrophobicContact CD2-CZ3 4.01Å; L50-W321 HydrophobicContact CG-CD2 4.45Å; L50-W321 HydrophobicContact CG-CE3 4.18Å; L50-W321 HydrophobicContact CG-CH2 3.7Å; L50-W321 HydrophobicContact CG-CZ2 3.97Å; L50-W321 HydrophobicContact CG-CZ3 3.82Å; L50-V324 HydrophobicContact CD2-CG2 4.31Å
51	L	98.3	Very high	94.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	154	-174.1	72.7	163.9	0	0	0	112.7	Y53 I70 L74 Q112 C114 R141 I142	L51-Y53 HydrophobicContact CD1-CD1 4.29Å; L51-I70 HydrophobicContact CD1-CG2 4.21Å; L51-L74 HydrophobicContact CD1-CD2 4.46Å; L51-Q112 HydrophobicContact CD2-CB 3.82Å; L51-Q112 HydrophobicContact CD2-CG 3.7Å; L51-Q112 WeakPolarHBondContact CD2-O 2.76Å; L51-Q112 HydrophobicContact CG-CB 4.05Å; L51-Q112 HydrophobicContact CG-CG 4.26Å; L51-Q112 PolarHBondContact N-O 3.26Å; L51-Q112 WeakPolarHBondContact O-CB 3.27Å; L51-Q112 PolarHBondContact O-N 3.48Å; L51-C114 HydrophobicContact CD2-CB 4.4Å; L51-R141 CarbonylContact C-O 3.51Å; L51-R141 WeakPolarHBondContact CA-O 3.46Å; L51-R141 VanDerWaalsContact CB-O 3.29Å; L51-R141 WeakPolarHBondContact CB-O 3.36Å; L51-I142 HydrophobicContact CB-CD1 3.82Å
52	A	98.7	Very high	95.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	152.3	170.2	0	0	0	0	0	109.8	A109 A110 R141 M143 F331	A52-A109 CarbonylContact C-O 3.59Å; A52-A109 VanDerWaalsContact CA-O 3.23Å; A52-A109 WeakPolarHBondContact CA-O 3.4Å; A52-A110 VanDerWaalsContact CB-O 3.25Å; A52-A110 WeakPolarHBondContact CB-O 3.37Å; A52-R141 PolarHBondContact N-O 3.32Å; A52-R141 PolarHBondContact O-N 3.3Å; A52-M143 HydrophobicContact CB-CE 3.83Å; A52-M143 HydrophobicContact CB-CG 3.86Å; A52-M143 HydrophobicContact CB-SD 3.51Å; A52-M143 VanDerWaalsContact CB-SD 3.51Å; A52-F331 HydrophobicContact CB-CD1 3.6Å; A52-F331 HydrophobicContact CB-CE1 3.84Å; A52-F331 HydrophobicContact CB-CG 4.1Å
53	Y	98.7	Very high	96.7	Very high	1 Å²	1	33.8 Å²	33.8	0%	0.004	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	150.2	173.6	53.1	-99.2	0	0	0	113.6	L51 M61 I70 T103 A109 Q112 D139	L51-Y53 HydrophobicContact CD1-CD1 4.29Å; Y53-M61 HydrophobicContact CE1-SD 4.4Å; Y53-M61 PolarHBondContact OH-SD 3.17Å; Y53-I70 HydrophobicContact CD1-CB 4.49Å; Y53-I70 HydrophobicContact CD1-CD1 4.25Å; Y53-I70 HydrophobicContact CD1-CG1 4.09Å; Y53-I70 HydrophobicContact CD1-CG2 3.68Å; Y53-I70 HydrophobicContact CD2-CD1 3.65Å; Y53-I70 HydrophobicContact CD2-CG1 3.81Å; Y53-I70 HydrophobicContact CE1-CG1 4.15Å; Y53-I70 HydrophobicContact CE1-CG2 3.91Å; Y53-I70 HydrophobicContact CE2-CD1 4.26Å; Y53-I70 HydrophobicContact CE2-CG1 3.91Å; Y53-I70 HydrophobicContact CG-CD1 3.65Å; Y53-I70 HydrophobicContact CG-CG1 3.9Å; Y53-I70 HydrophobicContact CG-CG2 4.18Å; Y53-T103 HydrophobicContact CE2-CG2 4.29Å; Y53-T103 WeakPolarHBondContact OH-CG2 3.49Å; Y53-T103 PolarHBondContact OH-OG1 2.86Å; Y53-A109 HydrophobicContact CD1-CB 4.1Å; Y53-A109 HydrophobicContact CD2-CB 4.12Å; Y53-A109 HydrophobicContact CE1-CB 3.64Å; Y53-A109 HydrophobicContact CE2-CB 3.61Å; Y53-A109 HydrophobicContact CG-CB 4.34Å; Y53-A109 PolarHBondContact N-O 3.06Å; Y53-A109 PolarHBondContact O-N 2.8Å; Y53-Q112 HydrophobicContact CE1-CB 4.07Å; Y53-Q112 HydrophobicContact CE1-CG 4.2Å; Y53-D139 CarbonylContact C-O 3.55Å; Y53-D139 WeakPolarHBondContact CA-O 3.39Å; Y53-D139 VanDerWaalsContact CB-O 3.31Å; Y53-D139 WeakPolarHBondContact CB-O 3.27Å
54	R	98.2	Very high	96.7	Very high	64 Å²	64	31.1 Å²	31.1	24%	0.242	16%	0.155	C	C	.	.			trans	-90.3	119.5	167.3	-174.7	-171.7	61.7	172.8	-14.4	109	K56 Y58 D139 Y335 I336 D339	R54-K56 HydrophobicContact CG-CB 4.39Å; R54-Y58 WeakPolarHBondContact O-CD2 3.4Å; R54-Y58 VanDerWaalsContact O-CE2 3.23Å; R54-Y58 WeakPolarHBondContact O-CE2 3Å; R54-D139 HydrophobicContact CB-CB 3.92Å; R54-D139 IonicContact CZ-OD2 2.64Å; R54-D139 PolarHBondContact N-O 3.4Å; R54-D139 IonicContact NE-OD2 3.6Å; R54-D139 PolarHBondContact NE-OD2 2.93Å; R54-D139 IonicContact NH2-OD2 3.69Å; R54-D139 PolarHBondContact NH2-OD2 3.03Å; R54-Y335 WeakPolarHBondContact CD-O 3.39Å; R54-I336 HydrophobicContact CB-CG1 4.44Å; R54-D339 IonicContact CZ-OD1 2.82Å; R54-D339 IonicContact NH1-OD1 3.46Å; R54-D339 PolarHBondContact NH1-OD1 2.87Å; R54-D339 IonicContact NH1-OD2 3.9Å
55	G	97.5	Very high	96.2	Very high	2 Å²	2	34.4 Å²	34.4	2%	0.021	17%	0.172	C	C	.	.			trans	-79.2	-16.5	-171	0	0	0	0	0	115.9	A57 Y58 G106 V107 S108	G55-A57 VanDerWaalsContact C-N 3.29Å; G55-A57 PolarHBondContact O-N 3.38Å; G55-A57 VanDerWaalsContact O-N 3.14Å; G55-Y58 PolarHBondContact O-N 2.95Å; G55-G106 CarbonylContact C-O 3.43Å; G55-G106 VanDerWaalsContact O-CA 3.28Å; G55-G106 WeakPolarHBondContact O-CA 3.42Å; G55-V107 WeakPolarHBondContact CA-O 3.47Å; G55-S108 PolarHBondContact N-OG 3.32Å
56	K	96.3	Very high	95.8	Very high	85 Å²	85	43.3 Å²	43.3	37%	0.37	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-42.8	-169.5	179.9	174.9	170.9	-176.7	0	114.3	R54 Y58 D339 T343	R54-K56 HydrophobicContact CG-CB 4.39Å; K56-Y58 VanDerWaalsContact C-N 3.3Å; K56-Y58 PolarHBondContact O-N 2.98Å; K56-D339 WeakPolarHBondContact CD-OD2 3.25Å; K56-D339 IonicContact NZ-OD1 2.8Å; K56-D339 PolarHBondContact NZ-OD1 2.85Å; K56-D339 IonicContact NZ-OD2 3.31Å; K56-T343 PolarHBondContact NZ-OG1 3.2Å
57	A	96.2	Very high	95.7	Very high	57 Å²	57	44.1 Å²	44.1	47%	0.471	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	0.6	-177.8	0	0	0	0	0	114.4	G55	G55-A57 VanDerWaalsContact C-N 3.29Å; G55-A57 PolarHBondContact O-N 3.38Å; G55-A57 VanDerWaalsContact O-N 3.14Å
58	Y	97.6	Very high	95.7	Very high	10 Å²	10	46.5 Å²	46.5	4%	0.039	24%	0.235	C	C	.	.	S	Bend	trans	-123.1	146.7	-166.8	-55.8	-79.8	0	0	0	112.9	R54 G55 K56 G60 P68 I70 Y73 G106 P137 D139 I140	R54-Y58 WeakPolarHBondContact O-CD2 3.4Å; R54-Y58 VanDerWaalsContact O-CE2 3.23Å; R54-Y58 WeakPolarHBondContact O-CE2 3Å; G55-Y58 PolarHBondContact O-N 2.95Å; K56-Y58 VanDerWaalsContact C-N 3.3Å; K56-Y58 PolarHBondContact O-N 2.98Å; Y58-G60 PolarHBondContact O-N 3.16Å; Y58-P68 CarbonylContact C-O 3.39Å; Y58-P68 WeakPolarHBondContact CA-O 3.48Å; Y58-P68 HydrophobicContact CD1-CB 4.11Å; Y58-I70 HydrophobicContact CD1-CD1 4.09Å; Y58-I70 HydrophobicContact CD2-CD1 3.63Å; Y58-I70 HydrophobicContact CE1-CD1 4.46Å; Y58-I70 HydrophobicContact CE2-CD1 4.04Å; Y58-I70 HydrophobicContact CG-CD1 3.66Å; Y58-Y73 HydrophobicContact CD1-CD2 4.28Å; Y58-Y73 HydrophobicContact CD1-CE2 4.08Å; Y58-Y73 AromaticContact CE1-CD2 3.68Å; Y58-Y73 HydrophobicContact CE1-CD2 3.68Å; Y58-Y73 AromaticContact CE1-CE2 3.51Å; Y58-Y73 HydrophobicContact CE1-CE2 3.51Å; Y58-G106 PolarHBondContact O-N 3.03Å; Y58-P137 WeakPolarHBondContact OH-CB 3.48Å; Y58-D139 PolarHBondContact OH-OD1 3.24Å; Y58-I140 HydrophobicContact CE1-CD1 3.83Å; Y58-I140 HydrophobicContact CE2-CD1 4.29Å; Y58-I140 HydrophobicContact CE2-CG1 4.22Å
59	H	97.1	Very high	95.7	Very high	74 Å²	74	46.5 Å²	46.5	34%	0.343	24%	0.235	S	C	.	.	S	Bend	trans	-81	33.8	174.1	-76.6	-116	0	0	0	112.7	T67 P68 T69 K105	H59-T67 WeakPolarHBondContact CB-OG1 3.09Å; H59-P68 PolarHBondContact N-O 3.48Å; H59-T69 HydrophobicContact CB-CG2 4.15Å; H59-K105 PolarHBondContact CE1-NZ 3.26Å
60	G	96.8	Very high	95.7	Very high	4 Å²	4	46.6 Å²	46.6	4%	0.041	24%	0.235	C	C	.	.			trans	92.7	-175.7	-179.5	0	0	0	0	0	113	Y58 T69 I70 T103 D104	Y58-G60 PolarHBondContact O-N 3.16Å; G60-T69 WeakPolarHBondContact O-CA 3.35Å; G60-T69 WeakPolarHBondContact O-CB 3.29Å; G60-I70 PolarHBondContact O-N 2.82Å; G60-T103 VanDerWaalsContact CA-O 3.3Å; G60-T103 WeakPolarHBondContact CA-O 3.29Å; G60-D104 WeakPolarHBondContact CA-O 3.42Å
61	M	97.3	Very high	95.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	-75.8	-42.7	-177	177	165.9	-169.7	0	0	113.4	Y53 I70 E71 F97 R99 A101 T103 Q112 C114	Y53-M61 HydrophobicContact CE1-SD 4.4Å; Y53-M61 PolarHBondContact OH-SD 3.17Å; M61-I70 HydrophobicContact CB-CB 4.44Å; M61-I70 HydrophobicContact CB-CG1 4.43Å; M61-I70 HydrophobicContact CG-CB 4.29Å; M61-E71 HydrophobicContact CG-CG 4.32Å; M61-E71 WeakPolarHBondContact O-CB 3.44Å; M61-E71 VanDerWaalsContact O-CD 3.31Å; M61-E71 WeakPolarHBondContact O-CG 3.27Å; M61-E71 PolarHBondContact O-N 2.74Å; M61-F97 HydrophobicContact CE-CZ 4.47Å; M61-R99 HydrophobicContact CE-CB 3.38Å; M61-R99 HydrophobicContact CE-CG 4.28Å; M61-R99 HydrophobicContact SD-CB 3.8Å; M61-R99 HydrophobicContact SD-CG 4.17Å; M61-A101 VanDerWaalsContact SD-O 3.37Å; M61-T103 VanDerWaalsContact CB-OG1 3.22Å; M61-T103 WeakPolarHBondContact CB-OG1 3.15Å; M61-T103 PolarHBondContact N-O 3.22Å; M61-T103 VanDerWaalsContact N-O 3.13Å; M61-T103 PolarHBondContact N-OG1 2.88Å; M61-Q112 HydrophobicContact CE-CG 3.75Å; M61-Q112 HydrophobicContact SD-CG 3.98Å; M61-Q112 PolarHBondContact SD-NE2 3.35Å; M61-Q112 VanDerWaalsContact SD-NE2 3.41Å; M61-C114 WeakPolarHBondContact CE-SG 3.31Å
62	Q	96.6	Very high	95.6	Very high	82 Å²	82	52.3 Å²	52.3	38%	0.383	26%	0.258	S	S	.	.	S	Bend	trans	-78.4	135.1	-173.1	178.8	173.1	-25.8	0	0	111.3	N64 T69 R102	Q62-N64 PolarHBondContact O-N 2.75Å; Q62-T69 VanDerWaalsContact O-CG2 3.27Å; Q62-T69 WeakPolarHBondContact O-CG2 3.45Å; Q62-R102 VanDerWaalsContact OE1-NE 3.11Å
63	I	94.6	Very high	95.6	Very high	65 Å²	65	55.7 Å²	55.7	33%	0.333	27%	0.271	S	S	.	.			trans	-53.8	129.4	172.8	-65.1	-179.6	0	0	0	110.1	T69 E71 F75	I63-T69 WeakPolarHBondContact CA-OG1 3.33Å; I63-E71 HydrophobicContact CD1-CB 4.16Å; I63-E71 HydrophobicContact CG1-CB 3.57Å; I63-F75 HydrophobicContact CD1-CD2 3.38Å; I63-F75 HydrophobicContact CD1-CE2 3.54Å; I63-F75 HydrophobicContact CD1-CG 4.4Å; I63-F75 HydrophobicContact CG1-CE2 4.35Å
64	N	89.4	Confident	95.6	Very high	84 Å²	84	55.7 Å²	55.7	45%	0.449	27%	0.271	S	S	.	.			trans	-144.2	123	173.7	-175.3	26.5	0	0	0	109.6	Q62 T67	Q62-N64 PolarHBondContact O-N 2.75Å; N64-T67 PolarHBondContact O-N 3.21Å; N64-T67 PolarHBondContact O-OG1 3.19Å
65	Q	82.1	Confident	95.6	Very high	162 Å²	162	52.8 Å²	52.8	76%	0.757	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	-148	177.4	-62.7	168.6	-2.2	0	0	111.6	T67	Q65-T67 VanDerWaalsContact C-N 3.3Å; Q65-T67 PolarHBondContact O-N 2.75Å
66	E	87.8	Confident	95.6	Very high	203 Å²	203	54.1 Å²	54.1	95%	0.949	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	35	175.8	-61	-178.2	171.8	0	0	111.8
67	T	94.6	Very high	95.7	Very high	30 Å²	30	50.1 Å²	50.1	18%	0.184	25%	0.25	C	C	.	.	S	Bend	trans	-100.1	146.8	179.9	62.7	0	0	0	0	112.2	H59 N64 Q65 T69	H59-T67 WeakPolarHBondContact CB-OG1 3.09Å; N64-T67 PolarHBondContact O-N 3.21Å; N64-T67 PolarHBondContact O-OG1 3.19Å; Q65-T67 VanDerWaalsContact C-N 3.3Å; Q65-T67 PolarHBondContact O-N 2.75Å; T67-T69 PolarHBondContact O-N 3.41Å
68	P	96.9	Very high	95.8	Very high	52 Å²	52	47.4 Å²	47.4	34%	0.338	23%	0.227	S	C	.	.			trans	-59.6	122.6	176	-23.8	33.9	0	0	0	111.2	Y58 H59 Y73	Y58-P68 CarbonylContact C-O 3.39Å; Y58-P68 WeakPolarHBondContact CA-O 3.48Å; Y58-P68 HydrophobicContact CD1-CB 4.11Å; H59-P68 PolarHBondContact N-O 3.48Å; P68-Y73 HydrophobicContact CB-CE2 4.1Å
69	T	98.1	Very high	95.8	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	24%	0.236	C	C	.	.			trans	-139.8	154.7	179.7	54.8	0	0	0	0	110.2	H59 G60 Q62 I63 T67 E71 Y72 Y73	H59-T69 HydrophobicContact CB-CG2 4.15Å; G60-T69 WeakPolarHBondContact O-CA 3.35Å; G60-T69 WeakPolarHBondContact O-CB 3.29Å; Q62-T69 VanDerWaalsContact O-CG2 3.27Å; Q62-T69 WeakPolarHBondContact O-CG2 3.45Å; I63-T69 WeakPolarHBondContact CA-OG1 3.33Å; T67-T69 PolarHBondContact O-N 3.41Å; T69-E71 VanDerWaalsContact C-N 3.3Å; T69-E71 PolarHBondContact O-N 3.03Å; T69-Y72 WeakPolarHBondContact O-CB 3.35Å; T69-Y72 PolarHBondContact O-N 3Å; T69-Y72 VanDerWaalsContact O-N 3.13Å; T69-Y72 VanDerWaalsContact OG1-CB 3.28Å; T69-Y72 WeakPolarHBondContact OG1-CB 3.36Å; T69-Y72 PolarHBondContact OG1-N 3.42Å; T69-Y73 VanDerWaalsContact O-CD2 3.31Å; T69-Y73 WeakPolarHBondContact O-CD2 3.24Å; T69-Y73 PolarHBondContact O-N 2.84Å
70	I	98.4	Very high	95.8	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-60.1	-43	-177.8	-51.2	-57.9	0	0	0	111.2	L51 Y53 Y58 G60 M61 Y72 Y73 L74 I140	L51-I70 HydrophobicContact CD1-CG2 4.21Å; Y53-I70 HydrophobicContact CD1-CB 4.49Å; Y53-I70 HydrophobicContact CD1-CD1 4.25Å; Y53-I70 HydrophobicContact CD1-CG1 4.09Å; Y53-I70 HydrophobicContact CD1-CG2 3.68Å; Y53-I70 HydrophobicContact CD2-CD1 3.65Å; Y53-I70 HydrophobicContact CD2-CG1 3.81Å; Y53-I70 HydrophobicContact CE1-CG1 4.15Å; Y53-I70 HydrophobicContact CE1-CG2 3.91Å; Y53-I70 HydrophobicContact CE2-CD1 4.26Å; Y53-I70 HydrophobicContact CE2-CG1 3.91Å; Y53-I70 HydrophobicContact CG-CD1 3.65Å; Y53-I70 HydrophobicContact CG-CG1 3.9Å; Y53-I70 HydrophobicContact CG-CG2 4.18Å; Y58-I70 HydrophobicContact CD1-CD1 4.09Å; Y58-I70 HydrophobicContact CD2-CD1 3.63Å; Y58-I70 HydrophobicContact CE1-CD1 4.46Å; Y58-I70 HydrophobicContact CE2-CD1 4.04Å; Y58-I70 HydrophobicContact CG-CD1 3.66Å; G60-I70 PolarHBondContact O-N 2.82Å; M61-I70 HydrophobicContact CB-CB 4.44Å; M61-I70 HydrophobicContact CB-CG1 4.43Å; M61-I70 HydrophobicContact CG-CB 4.29Å; I70-Y72 VanDerWaalsContact C-N 3.33Å; I70-Y72 PolarHBondContact O-N 3.2Å; I70-Y73 PolarHBondContact O-N 3.46Å; I70-L74 WeakPolarHBondContact O-CB 3.43Å; I70-L74 PolarHBondContact O-N 3.43Å; I70-I140 HydrophobicContact CD1-CD1 3.77Å; I70-I140 HydrophobicContact CD1-CG1 4Å; I70-I140 HydrophobicContact CG2-CD1 4.32Å; I70-I140 HydrophobicContact CG2-CG2 4.18Å
71	E	98.1	Very high	95.8	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.019	25%	0.253	C	S	.	.	H	α-helix	trans	-64.9	-33.9	177.5	-82.2	165.3	-145.4	0	0	113.3	M61 I63 T69 L74 F75 F97 R99	M61-E71 HydrophobicContact CG-CG 4.32Å; M61-E71 WeakPolarHBondContact O-CB 3.44Å; M61-E71 VanDerWaalsContact O-CD 3.31Å; M61-E71 WeakPolarHBondContact O-CG 3.27Å; M61-E71 PolarHBondContact O-N 2.74Å; I63-E71 HydrophobicContact CD1-CB 4.16Å; I63-E71 HydrophobicContact CG1-CB 3.57Å; T69-E71 VanDerWaalsContact C-N 3.3Å; T69-E71 PolarHBondContact O-N 3.03Å; E71-L74 PolarHBondContact O-N 3.13Å; E71-F75 HydrophobicContact CB-CE1 4.15Å; E71-F75 HydrophobicContact CB-CE2 4.01Å; E71-F75 HydrophobicContact CB-CZ 3.78Å; E71-F75 HydrophobicContact CG-CE1 4.07Å; E71-F75 HydrophobicContact CG-CE2 4.42Å; E71-F75 HydrophobicContact CG-CZ 3.74Å; E71-F75 VanDerWaalsContact O-CB 3.32Å; E71-F75 WeakPolarHBondContact O-CB 3.32Å; E71-F75 VanDerWaalsContact O-CD1 3.3Å; E71-F75 WeakPolarHBondContact O-CD1 3.36Å; E71-F75 WeakPolarHBondContact O-CG 3.48Å; E71-F75 PolarHBondContact O-N 2.82Å; E71-F97 HydrophobicContact CG-CE1 3.68Å; E71-F97 HydrophobicContact CG-CZ 3.74Å; E71-R99 VanDerWaalsContact CD-CZ 3.41Å; E71-R99 WeakPolarHBondContact OE1-CD 3.14Å; E71-R99 IonicContact OE1-CZ 3.29Å; E71-R99 IonicContact OE1-NE 3.99Å; E71-R99 PolarHBondContact OE1-NE 3.13Å; E71-R99 IonicContact OE1-NH1 2.73Å; E71-R99 PolarHBondContact OE1-NH1 3.27Å; E71-R99 IonicContact OE1-NH2 2.98Å; E71-R99 IonicContact OE2-CZ 2.63Å; E71-R99 VanDerWaalsContact OE2-CZ 3.31Å; E71-R99 IonicContact OE2-NH1 3.63Å; E71-R99 PolarHBondContact OE2-NH1 3.47Å; E71-R99 IonicContact OE2-NH2 3.41Å; E71-R99 PolarHBondContact OE2-NH2 2.65Å
72	Y	97.3	Very high	95.7	Very high	118 Å²	118	56.5 Å²	56.5	46%	0.463	27%	0.27	S	S	.	.	H	α-helix	trans	-57.9	-54	175.7	170.4	-94.3	0	0	0	110.6	T69 I70 L74 F75 D76	T69-Y72 WeakPolarHBondContact O-CB 3.35Å; T69-Y72 PolarHBondContact O-N 3Å; T69-Y72 VanDerWaalsContact O-N 3.13Å; T69-Y72 VanDerWaalsContact OG1-CB 3.28Å; T69-Y72 WeakPolarHBondContact OG1-CB 3.36Å; T69-Y72 PolarHBondContact OG1-N 3.42Å; I70-Y72 VanDerWaalsContact C-N 3.33Å; I70-Y72 PolarHBondContact O-N 3.2Å; Y72-L74 PolarHBondContact O-N 3.21Å; Y72-F75 PolarHBondContact O-N 2.93Å; Y72-D76 WeakPolarHBondContact O-CB 3.18Å; Y72-D76 PolarHBondContact O-N 2.92Å
73	Y	98.2	Very high	95.7	Very high	71 Å²	71	54.1 Å²	54.1	28%	0.278	26%	0.258	S	S	.	.	H	α-helix	trans	-66.4	-37.8	-179.7	-70.6	-81	0	0	0	112.4	Y58 P68 T69 I70 A77 P137 I140	Y58-Y73 HydrophobicContact CD1-CD2 4.28Å; Y58-Y73 HydrophobicContact CD1-CE2 4.08Å; Y58-Y73 AromaticContact CE1-CD2 3.68Å; Y58-Y73 HydrophobicContact CE1-CD2 3.68Å; Y58-Y73 AromaticContact CE1-CE2 3.51Å; Y58-Y73 HydrophobicContact CE1-CE2 3.51Å; P68-Y73 HydrophobicContact CB-CE2 4.1Å; T69-Y73 VanDerWaalsContact O-CD2 3.31Å; T69-Y73 WeakPolarHBondContact O-CD2 3.24Å; T69-Y73 PolarHBondContact O-N 2.84Å; I70-Y73 PolarHBondContact O-N 3.46Å; Y73-A77 WeakPolarHBondContact O-CB 3.4Å; Y73-A77 PolarHBondContact O-N 3.18Å; Y73-P137 HydrophobicContact CD1-CG 3.49Å; Y73-P137 VanDerWaalsContact CD1-CG 3.49Å; Y73-P137 HydrophobicContact CD2-CG 4.4Å; Y73-P137 HydrophobicContact CE1-CG 3.8Å; Y73-P137 HydrophobicContact CG-CG 3.82Å; Y73-I140 HydrophobicContact CD2-CD1 4.14Å; Y73-I140 HydrophobicContact CG-CD1 4.25Å
74	L	98.6	Very high	95.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.9	-44.3	175.5	-178.4	60.2	0	0	0	111.9	L49 L51 I70 E71 Y72 L78 F97 I142	L49-L74 HydrophobicContact CD1-CD1 4.34Å; L49-L74 HydrophobicContact CD1-CD2 4.4Å; L51-L74 HydrophobicContact CD1-CD2 4.46Å; I70-L74 WeakPolarHBondContact O-CB 3.43Å; I70-L74 PolarHBondContact O-N 3.43Å; E71-L74 PolarHBondContact O-N 3.13Å; Y72-L74 PolarHBondContact O-N 3.21Å; L74-L78 HydrophobicContact CG-CD1 4.25Å; L74-L78 VanDerWaalsContact O-CG 3.22Å; L74-L78 WeakPolarHBondContact O-CG 3.44Å; L74-L78 PolarHBondContact O-N 3.48Å; L74-F97 HydrophobicContact CD2-CE2 3.78Å; L74-F97 HydrophobicContact CD2-CZ 4.25Å; L74-I142 HydrophobicContact CD1-CD1 4.31Å
75	F	98.2	Very high	96.2	Very high	3 Å²	3	49 Å²	49	1%	0.013	23%	0.232	C	C	.	.	H	α-helix	trans	-72.6	-36.8	-179.2	-62.4	-3.9	0	0	0	111.3	I63 E71 Y72 L78 K79 I84 A89 P92 F95 F97	I63-F75 HydrophobicContact CD1-CD2 3.38Å; I63-F75 HydrophobicContact CD1-CE2 3.54Å; I63-F75 HydrophobicContact CD1-CG 4.4Å; I63-F75 HydrophobicContact CG1-CE2 4.35Å; E71-F75 HydrophobicContact CB-CE1 4.15Å; E71-F75 HydrophobicContact CB-CE2 4.01Å; E71-F75 HydrophobicContact CB-CZ 3.78Å; E71-F75 HydrophobicContact CG-CE1 4.07Å; E71-F75 HydrophobicContact CG-CE2 4.42Å; E71-F75 HydrophobicContact CG-CZ 3.74Å; E71-F75 VanDerWaalsContact O-CB 3.32Å; E71-F75 WeakPolarHBondContact O-CB 3.32Å; E71-F75 VanDerWaalsContact O-CD1 3.3Å; E71-F75 WeakPolarHBondContact O-CD1 3.36Å; E71-F75 WeakPolarHBondContact O-CG 3.48Å; E71-F75 PolarHBondContact O-N 2.82Å; Y72-F75 PolarHBondContact O-N 2.93Å; F75-L78 HydrophobicContact CD1-CD1 4.33Å; F75-L78 PolarHBondContact O-N 3.18Å; F75-K79 WeakPolarHBondContact O-CB 3.33Å; F75-K79 VanDerWaalsContact O-CG 3.29Å; F75-K79 WeakPolarHBondContact O-CG 3.41Å; F75-K79 PolarHBondContact O-N 2.89Å; F75-I84 HydrophobicContact CB-CD1 4.27Å; F75-A89 HydrophobicContact CB-CB 4.28Å; F75-P92 HydrophobicContact CD2-CG 4.32Å; F75-P92 HydrophobicContact CE2-CB 4.01Å; F75-P92 HydrophobicContact CE2-CG 3.46Å; F75-P92 VanDerWaalsContact CE2-CG 3.46Å; F75-P92 HydrophobicContact CZ-CB 4.07Å; F75-P92 HydrophobicContact CZ-CG 4.01Å; F75-F95 HydrophobicContact CD1-CE2 4.49Å; F75-F95 AromaticContact CD1-CZ 3.82Å; F75-F95 HydrophobicContact CD1-CZ 3.82Å; F75-F95 HydrophobicContact CD2-CZ 4.47Å; F75-F95 HydrophobicContact CE1-CE2 4.39Å; F75-F95 AromaticContact CE1-CZ 3.77Å; F75-F95 HydrophobicContact CE1-CZ 3.77Å; F75-F95 HydrophobicContact CE2-CZ 4.43Å; F75-F95 HydrophobicContact CG-CZ 4.21Å; F75-F95 HydrophobicContact CZ-CZ 4.09Å; F75-F97 AromaticContact CE1-CD1 3.9Å; F75-F97 HydrophobicContact CE1-CD1 3.9Å; F75-F97 AromaticContact CE1-CD2 3.45Å; F75-F97 HydrophobicContact CE1-CD2 3.45Å; F75-F97 VanDerWaalsContact CE1-CD2 3.45Å; F75-F97 AromaticContact CE1-CE1 3.89Å; F75-F97 HydrophobicContact CE1-CE1 3.89Å; F75-F97 AromaticContact CE1-CE2 3.51Å; F75-F97 HydrophobicContact CE1-CE2 3.51Å; F75-F97 AromaticContact CE1-CG 3.71Å; F75-F97 HydrophobicContact CE1-CG 3.71Å; F75-F97 AromaticContact CE1-CZ 3.73Å; F75-F97 HydrophobicContact CE1-CZ 3.73Å; F75-F97 HydrophobicContact CZ-CB 4.48Å; F75-F97 AromaticContact CZ-CD1 3.53Å; F75-F97 HydrophobicContact CZ-CD1 3.53Å; F75-F97 AromaticContact CZ-CD2 3.96Å; F75-F97 HydrophobicContact CZ-CD2 3.96Å; F75-F97 AromaticContact CZ-CE1 3.66Å; F75-F97 HydrophobicContact CZ-CE1 3.66Å; F75-F97 HydrophobicContact CZ-CE2 4.14Å; F75-F97 AromaticContact CZ-CG 3.71Å; F75-F97 HydrophobicContact CZ-CG 3.71Å; F75-F97 AromaticContact CZ-CZ 3.99Å; F75-F97 HydrophobicContact CZ-CZ 3.99Å
76	D	97.8	Very high	96.8	Very high	31 Å²	31	45 Å²	45	17%	0.166	21%	0.213	C	C	.	.	H	α-helix	trans	-62.3	-43.5	174.2	-171.4	59.9	0	0	0	111.8	Y72 K79 K80	Y72-D76 WeakPolarHBondContact O-CB 3.18Å; Y72-D76 PolarHBondContact O-N 2.92Å; D76-K79 WeakPolarHBondContact O-CB 3.36Å; D76-K79 PolarHBondContact O-N 2.89Å; D76-K79 IonicContact OD1-NZ 3.56Å; D76-K80 WeakPolarHBondContact O-CB 3.4Å; D76-K80 WeakPolarHBondContact O-CG 3.19Å; D76-K80 PolarHBondContact O-N 2.84Å; D76-K80 WeakPolarHBondContact OD2-CE 3.39Å; D76-K80 IonicContact OD2-NZ 3.58Å; D76-K80 PolarHBondContact OD2-NZ 3.46Å
77	A	98.5	Very high	97.2	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.008	20%	0.198	C	C	.	.	H	α-helix	trans	-61.9	-44.6	173.4	0	0	0	0	0	112.1	Y73 K79 K80 L81 L132 L135 L136	Y73-A77 WeakPolarHBondContact O-CB 3.4Å; Y73-A77 PolarHBondContact O-N 3.18Å; A77-K79 VanDerWaalsContact C-N 3.32Å; A77-K79 PolarHBondContact O-N 3.33Å; A77-K80 PolarHBondContact O-N 2.91Å; A77-L81 WeakPolarHBondContact O-CG 3.37Å; A77-L81 PolarHBondContact O-N 3.42Å; A77-L132 HydrophobicContact CB-CD2 3.91Å; A77-L135 HydrophobicContact CB-CB 3.86Å; A77-L135 HydrophobicContact CB-CD1 4.4Å; A77-L136 HydrophobicContact CB-CD2 4.11Å; A77-L136 HydrophobicContact CB-CG 4.24Å
78	L	98.1	Very high	97.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.6	-38	175.9	-71	168.8	0	0	0	112.5	L74 F75 N82 Y83 I84 F95 L118 L132	L74-L78 HydrophobicContact CG-CD1 4.25Å; L74-L78 VanDerWaalsContact O-CG 3.22Å; L74-L78 WeakPolarHBondContact O-CG 3.44Å; L74-L78 PolarHBondContact O-N 3.48Å; F75-L78 HydrophobicContact CD1-CD1 4.33Å; F75-L78 PolarHBondContact O-N 3.18Å; L78-N82 PolarHBondContact O-N 3.23Å; L78-Y83 HydrophobicContact CD2-CD2 3.92Å; L78-Y83 WeakPolarHBondContact O-CB 3.39Å; L78-Y83 PolarHBondContact O-N 2.92Å; L78-I84 HydrophobicContact CB-CD1 3.74Å; L78-I84 HydrophobicContact CB-CG1 3.81Å; L78-I84 HydrophobicContact CD1-CD1 4.27Å; L78-I84 PolarHBondContact O-N 2.94Å; L78-F95 HydrophobicContact CD1-CE2 4.14Å; L78-L118 HydrophobicContact CD2-CD1 3.73Å; L78-L118 HydrophobicContact CD2-CD2 4.16Å; L78-L132 HydrophobicContact CD2-CD2 3.94Å; L78-L132 HydrophobicContact CG-CD2 4.24Å
79	K	97.2	Very high	97.3	Very high	51 Å²	51	39 Å²	39	22%	0.222	18%	0.18	C	C	.	.	H	α-helix	trans	-65.4	-49.7	175.5	-80.4	169.4	26.8	172.2	0	111.7	F75 D76 A77 L81 N82 I84 E86 A89	F75-K79 WeakPolarHBondContact O-CB 3.33Å; F75-K79 VanDerWaalsContact O-CG 3.29Å; F75-K79 WeakPolarHBondContact O-CG 3.41Å; F75-K79 PolarHBondContact O-N 2.89Å; D76-K79 WeakPolarHBondContact O-CB 3.36Å; D76-K79 PolarHBondContact O-N 2.89Å; D76-K79 IonicContact OD1-NZ 3.56Å; A77-K79 VanDerWaalsContact C-N 3.32Å; A77-K79 PolarHBondContact O-N 3.33Å; K79-L81 PolarHBondContact O-N 2.91Å; K79-N82 WeakPolarHBondContact O-CA 3.45Å; K79-N82 PolarHBondContact O-N 3.16Å; K79-I84 HydrophobicContact CG-CD1 4.17Å; K79-I84 HydrophobicContact CG-CG1 3.84Å; K79-E86 WeakPolarHBondContact CD-OE2 3.32Å; K79-E86 WeakPolarHBondContact CE-OE2 3.22Å; K79-E86 IonicContact NZ-OE1 2.83Å; K79-E86 IonicContact NZ-OE2 2.9Å; K79-E86 PolarHBondContact NZ-OE2 3.35Å; K79-A89 HydrophobicContact CD-CB 3.42Å; K79-A89 VanDerWaalsContact CD-CB 3.42Å; K79-A89 HydrophobicContact CG-CB 3.89Å
80	K	98.1	Very high	97.1	Very high	121 Å²	121	47.8 Å²	47.8	53%	0.526	21%	0.213	S	C	.	.	H	α-helix	trans	-59.6	-28.7	180	-77.2	171.3	174.5	163.8	0	112.8	D76 A77 N82 L135	D76-K80 WeakPolarHBondContact O-CB 3.4Å; D76-K80 WeakPolarHBondContact O-CG 3.19Å; D76-K80 PolarHBondContact O-N 2.84Å; D76-K80 WeakPolarHBondContact OD2-CE 3.39Å; D76-K80 IonicContact OD2-NZ 3.58Å; D76-K80 PolarHBondContact OD2-NZ 3.46Å; A77-K80 PolarHBondContact O-N 2.91Å; K80-N82 VanDerWaalsContact C-N 3.32Å; K80-L135 HydrophobicContact CB-CD1 3.81Å; K80-L135 HydrophobicContact CD-CD2 4.16Å
81	L	96.5	Very high	97	Very high	41 Å²	41	53.5 Å²	53.5	22%	0.215	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	5.3	173.6	-62	175.9	0	0	0	114	A77 K79 Y83 L132 L135	A77-L81 WeakPolarHBondContact O-CG 3.37Å; A77-L81 PolarHBondContact O-N 3.42Å; K79-L81 PolarHBondContact O-N 2.91Å; L81-Y83 HydrophobicContact CB-CD1 4.24Å; L81-Y83 HydrophobicContact CB-CD2 3.91Å; L81-Y83 HydrophobicContact CB-CE1 4.23Å; L81-Y83 HydrophobicContact CB-CE2 3.9Å; L81-Y83 HydrophobicContact CB-CG 4.08Å; L81-Y83 HydrophobicContact CD1-CD2 4.17Å; L81-Y83 HydrophobicContact CD1-CE2 3.67Å; L81-Y83 HydrophobicContact CG-CE2 4.44Å; L81-Y83 WeakPolarHBondContact O-CD1 3.33Å; L81-Y83 PolarHBondContact O-N 3.46Å; L81-L132 HydrophobicContact CD1-CD2 3.74Å; L81-L132 HydrophobicContact CD1-CG 3.85Å; L81-L135 HydrophobicContact CD1-CD1 4.1Å; L81-L135 HydrophobicContact CD2-CD1 3.69Å; L81-L135 HydrophobicContact CG-CD1 3.58Å
82	N	95.8	Very high	96.9	Very high	65 Å²	65	54.9 Å²	54.9	35%	0.348	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	27.2	-176	-58.4	-54	0	0	0	113.9	L78 K79 K80	L78-N82 PolarHBondContact O-N 3.23Å; K79-N82 WeakPolarHBondContact O-CA 3.45Å; K79-N82 PolarHBondContact O-N 3.16Å; K80-N82 VanDerWaalsContact C-N 3.32Å
83	Y	96.7	Very high	96.8	Very high	33 Å²	33	52.6 Å²	52.6	13%	0.129	25%	0.249	C	C	.	.	S	Bend	trans	-81.1	-25.5	174.9	-64.4	-18.8	0	0	0	112.3	L78 L81 P119 L120 A128	L78-Y83 HydrophobicContact CD2-CD2 3.92Å; L78-Y83 WeakPolarHBondContact O-CB 3.39Å; L78-Y83 PolarHBondContact O-N 2.92Å; L81-Y83 HydrophobicContact CB-CD1 4.24Å; L81-Y83 HydrophobicContact CB-CD2 3.91Å; L81-Y83 HydrophobicContact CB-CE1 4.23Å; L81-Y83 HydrophobicContact CB-CE2 3.9Å; L81-Y83 HydrophobicContact CB-CG 4.08Å; L81-Y83 HydrophobicContact CD1-CD2 4.17Å; L81-Y83 HydrophobicContact CD1-CE2 3.67Å; L81-Y83 HydrophobicContact CG-CE2 4.44Å; L81-Y83 WeakPolarHBondContact O-CD1 3.33Å; L81-Y83 PolarHBondContact O-N 3.46Å; Y83-P119 WeakPolarHBondContact O-CD 3.49Å; Y83-L120 HydrophobicContact CD1-CD2 3.8Å; Y83-L120 HydrophobicContact CD2-CD2 3.75Å; Y83-L120 HydrophobicContact CE1-CD2 3.53Å; Y83-L120 HydrophobicContact CE2-CD2 3.5Å; Y83-L120 VanDerWaalsContact CE2-CD2 3.5Å; Y83-L120 HydrophobicContact CG-CD2 3.91Å; Y83-A128 HydrophobicContact CE2-CB 4.19Å
84	I	97	Very high	96.8	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.015	25%	0.252	C	S	.	.	S	Bend	trans	-136.8	155.9	172.7	67.1	178.3	0	0	0	110.7	F75 L78 K79 Q88 A89 F95 L118	F75-I84 HydrophobicContact CB-CD1 4.27Å; L78-I84 HydrophobicContact CB-CD1 3.74Å; L78-I84 HydrophobicContact CB-CG1 3.81Å; L78-I84 HydrophobicContact CD1-CD1 4.27Å; L78-I84 PolarHBondContact O-N 2.94Å; K79-I84 HydrophobicContact CG-CD1 4.17Å; K79-I84 HydrophobicContact CG-CG1 3.84Å; I84-Q88 VanDerWaalsContact CA-OE1 3.27Å; I84-Q88 HydrophobicContact CB-CB 4.02Å; I84-A89 HydrophobicContact CD1-CB 4.04Å; I84-F95 HydrophobicContact CD1-CE1 3.97Å; I84-F95 HydrophobicContact CD1-CE2 4.25Å; I84-F95 HydrophobicContact CD1-CZ 3.84Å; I84-F95 HydrophobicContact CG2-CB 4.09Å; I84-F95 HydrophobicContact CG2-CD1 4.32Å; I84-F95 HydrophobicContact CG2-CD2 3.77Å; I84-F95 HydrophobicContact CG2-CE2 4.17Å; I84-F95 HydrophobicContact CG2-CG 3.84Å; I84-L118 HydrophobicContact CG2-CD2 3.65Å
85	T	96.3	Very high	96.7	Very high	37 Å²	37	51.7 Å²	51.7	23%	0.227	25%	0.252	C	S	.	.			trans	-81	165.6	172.4	72.1	0	0	0	0	111.6	F39 E87 Q88 A89	F39-T85 HydrophobicContact CD1-CG2 4.06Å; F39-T85 HydrophobicContact CE1-CG2 3.52Å; F39-T85 HydrophobicContact CE2-CG2 4.42Å; F39-T85 HydrophobicContact CZ-CG2 3.72Å; T85-E87 VanDerWaalsContact C-N 3.29Å; T85-E87 PolarHBondContact O-N 2.84Å; T85-E87 PolarHBondContact OG1-N 3.12Å; T85-Q88 WeakPolarHBondContact O-CB 3.49Å; T85-Q88 PolarHBondContact O-N 2.74Å; T85-Q88 WeakPolarHBondContact OG1-CB 3.09Å; T85-Q88 WeakPolarHBondContact OG1-CG 3.3Å; T85-Q88 PolarHBondContact OG1-N 2.75Å; T85-A89 PolarHBondContact O-N 2.77Å
86	E	95.8	Very high	96.7	Very high	79 Å²	79	57.2 Å²	57.2	37%	0.369	28%	0.276	S	S	.	.	H	α-helix	trans	-58	-41.5	170.6	-174.9	63.1	-155.9	0	0	112.2	K79 Q88 A89 R90	K79-E86 WeakPolarHBondContact CD-OE2 3.32Å; K79-E86 WeakPolarHBondContact CE-OE2 3.22Å; K79-E86 IonicContact NZ-OE1 2.83Å; K79-E86 IonicContact NZ-OE2 2.9Å; K79-E86 PolarHBondContact NZ-OE2 3.35Å; E86-Q88 VanDerWaalsContact C-N 3.34Å; E86-Q88 PolarHBondContact O-N 2.97Å; E86-A89 PolarHBondContact O-N 3.21Å; E86-R90 PolarHBondContact O-N 3.17Å; E86-R90 VanDerWaalsContact O-N 3.13Å; E86-R90 IonicContact OE1-CZ 2.75Å; E86-R90 IonicContact OE1-NE 2.75Å; E86-R90 IonicContact OE1-NH2 3.21Å; E86-R90 PolarHBondContact OE1-NH2 3.43Å
87	E	96.1	Very high	96.7	Very high	133 Å²	133	56.4 Å²	56.4	62%	0.621	27%	0.271	S	S	*	.	H	α-helix	trans	-61.8	-42.5	175.8	-169.6	-159.6	158.6	0	0	111.5	T85 A89 R90 K91	T85-E87 VanDerWaalsContact C-N 3.29Å; T85-E87 PolarHBondContact O-N 2.84Å; T85-E87 PolarHBondContact OG1-N 3.12Å; E87-A89 VanDerWaalsContact C-N 3.34Å; E87-A89 PolarHBondContact O-N 3.36Å; E87-R90 PolarHBondContact O-N 2.95Å; E87-K91 PolarHBondContact O-N 2.91Å
88	Q	96.6	Very high	96.7	Very high	14 Å²	14	58.3 Å²	58.3	7%	0.065	28%	0.28	C	S	.	.	H	α-helix	trans	-63.2	-40.8	176.9	-76.7	-178.9	-49.9	0	0	111.3	I84 T85 E86 R90 K91 C94 F95	I84-Q88 VanDerWaalsContact CA-OE1 3.27Å; I84-Q88 HydrophobicContact CB-CB 4.02Å; T85-Q88 WeakPolarHBondContact O-CB 3.49Å; T85-Q88 PolarHBondContact O-N 2.74Å; T85-Q88 WeakPolarHBondContact OG1-CB 3.09Å; T85-Q88 WeakPolarHBondContact OG1-CG 3.3Å; T85-Q88 PolarHBondContact OG1-N 2.75Å; E86-Q88 VanDerWaalsContact C-N 3.34Å; E86-Q88 PolarHBondContact O-N 2.97Å; Q88-R90 VanDerWaalsContact C-N 3.32Å; Q88-R90 PolarHBondContact O-N 3.27Å; Q88-K91 CarbonylContact O-C 3.48Å; Q88-K91 PolarHBondContact O-N 3.25Å; Q88-C94 HydrophobicContact CG-CB 3.91Å; Q88-C94 PolarHBondContact NE2-O 3.06Å; Q88-F95 HydrophobicContact CB-CD1 3.83Å; Q88-F95 HydrophobicContact CB-CE1 4.5Å; Q88-F95 WeakPolarHBondContact O-CD1 3.4Å; Q88-F95 WeakPolarHBondContact O-CE1 3.07Å
89	A	95.6	Very high	96.7	Very high	11 Å²	11	59.3 Å²	59.3	9%	0.091	28%	0.284	C	S	.	.	H	α-helix	trans	-61.8	-37.4	176	0	0	0	0	0	112.7	F75 K79 I84 T85 E86 E87	F75-A89 HydrophobicContact CB-CB 4.28Å; K79-A89 HydrophobicContact CD-CB 3.42Å; K79-A89 VanDerWaalsContact CD-CB 3.42Å; K79-A89 HydrophobicContact CG-CB 3.89Å; I84-A89 HydrophobicContact CD1-CB 4.04Å; T85-A89 PolarHBondContact O-N 2.77Å; E86-A89 PolarHBondContact O-N 3.21Å; E87-A89 VanDerWaalsContact C-N 3.34Å; E87-A89 PolarHBondContact O-N 3.36Å
90	R	94.6	Very high	96.8	Very high	186 Å²	186	57 Å²	57	70%	0.702	28%	0.275	S	S	*	.	H	α-helix	trans	-72.7	-29	174.8	-67	-179	-173	125.8	8.4	113.5	E86 E87 Q88	E86-R90 PolarHBondContact O-N 3.17Å; E86-R90 VanDerWaalsContact O-N 3.13Å; E86-R90 IonicContact OE1-CZ 2.75Å; E86-R90 IonicContact OE1-NE 2.75Å; E86-R90 IonicContact OE1-NH2 3.21Å; E86-R90 PolarHBondContact OE1-NH2 3.43Å; E87-R90 PolarHBondContact O-N 2.95Å; Q88-R90 VanDerWaalsContact C-N 3.32Å; Q88-R90 PolarHBondContact O-N 3.27Å
91	K	95.7	Very high	96.8	Very high	121 Å²	121	51.7 Å²	51.7	53%	0.526	25%	0.253	S	S	.	.	S	Bend	trans	-125.2	81.9	178.9	-171.5	170.9	173.5	-177.5	0	110.5	E87 Q88 S93 C94	E87-K91 PolarHBondContact O-N 2.91Å; Q88-K91 CarbonylContact O-C 3.48Å; Q88-K91 PolarHBondContact O-N 3.25Å; K91-S93 WeakPolarHBondContact CG-OG 3.19Å; K91-S93 PolarHBondContact O-N 2.9Å; K91-C94 VanDerWaalsContact CD-SG 3.57Å; K91-C94 VanDerWaalsContact O-CB 3.27Å; K91-C94 WeakPolarHBondContact O-CB 3.17Å; K91-C94 PolarHBondContact O-N 3.08Å
92	P	96.1	Very high	96.8	Very high	33 Å²	33	57.1 Å²	57.1	21%	0.214	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-61.6	-18.9	-170.4	-25	34.7	0	0	0	115.5	F75 C94 F95 K96 F97	F75-P92 HydrophobicContact CD2-CG 4.32Å; F75-P92 HydrophobicContact CE2-CB 4.01Å; F75-P92 HydrophobicContact CE2-CG 3.46Å; F75-P92 VanDerWaalsContact CE2-CG 3.46Å; F75-P92 HydrophobicContact CZ-CB 4.07Å; F75-P92 HydrophobicContact CZ-CG 4.01Å; P92-C94 PolarHBondContact O-N 2.85Å; P92-F95 VanDerWaalsContact CA-CE1 3.41Å; P92-F95 HydrophobicContact CB-CE1 3.82Å; P92-F95 HydrophobicContact CB-CZ 4.21Å; P92-F95 HydrophobicContact CG-CE1 4.48Å; P92-F95 WeakPolarHBondContact O-CD1 3.47Å; P92-F95 PolarHBondContact O-N 2.85Å; P92-K96 PolarHBondContact O-N 3.1Å; P92-F97 HydrophobicContact CB-CB 3.76Å; P92-F97 HydrophobicContact CB-CD1 4.3Å; P92-F97 HydrophobicContact CB-CG 4.35Å; P92-F97 PolarHBondContact O-N 2.8Å
93	S	96.5	Very high	96.8	Very high	70 Å²	70	54.4 Å²	54.4	49%	0.49	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-63.6	-23.9	171.5	58.9	0	0	0	0	113.5	K91 F95 K96	K91-S93 WeakPolarHBondContact CG-OG 3.19Å; K91-S93 PolarHBondContact O-N 2.9Å; S93-F95 VanDerWaalsContact C-N 3.26Å; S93-F95 PolarHBondContact O-N 2.72Å; S93-K96 PolarHBondContact O-N 3.16Å
94	C	96.7	Very high	96.7	Very high	51 Å²	51	54.6 Å²	54.6	35%	0.345	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-70.7	-17.3	176.5	-69	0	0	0	0	113.8	Q88 K91 P92	Q88-C94 HydrophobicContact CG-CB 3.91Å; Q88-C94 PolarHBondContact NE2-O 3.06Å; K91-C94 VanDerWaalsContact CD-SG 3.57Å; K91-C94 VanDerWaalsContact O-CB 3.27Å; K91-C94 WeakPolarHBondContact O-CB 3.17Å; K91-C94 PolarHBondContact O-N 3.08Å; P92-C94 PolarHBondContact O-N 2.85Å
95	F	97.1	Very high	96.7	Very high	1 Å²	1	60.4 Å²	60.4	0%	0.004	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-122	23.3	169.7	70.7	-81	0	0	0	112.1	F75 L78 I84 Q88 P92 S93 F97 V116 Q117 L118	F75-F95 HydrophobicContact CD1-CE2 4.49Å; F75-F95 AromaticContact CD1-CZ 3.82Å; F75-F95 HydrophobicContact CD1-CZ 3.82Å; F75-F95 HydrophobicContact CD2-CZ 4.47Å; F75-F95 HydrophobicContact CE1-CE2 4.39Å; F75-F95 AromaticContact CE1-CZ 3.77Å; F75-F95 HydrophobicContact CE1-CZ 3.77Å; F75-F95 HydrophobicContact CE2-CZ 4.43Å; F75-F95 HydrophobicContact CG-CZ 4.21Å; F75-F95 HydrophobicContact CZ-CZ 4.09Å; L78-F95 HydrophobicContact CD1-CE2 4.14Å; I84-F95 HydrophobicContact CD1-CE1 3.97Å; I84-F95 HydrophobicContact CD1-CE2 4.25Å; I84-F95 HydrophobicContact CD1-CZ 3.84Å; I84-F95 HydrophobicContact CG2-CB 4.09Å; I84-F95 HydrophobicContact CG2-CD1 4.32Å; I84-F95 HydrophobicContact CG2-CD2 3.77Å; I84-F95 HydrophobicContact CG2-CE2 4.17Å; I84-F95 HydrophobicContact CG2-CG 3.84Å; Q88-F95 HydrophobicContact CB-CD1 3.83Å; Q88-F95 HydrophobicContact CB-CE1 4.5Å; Q88-F95 WeakPolarHBondContact O-CD1 3.4Å; Q88-F95 WeakPolarHBondContact O-CE1 3.07Å; P92-F95 VanDerWaalsContact CA-CE1 3.41Å; P92-F95 HydrophobicContact CB-CE1 3.82Å; P92-F95 HydrophobicContact CB-CZ 4.21Å; P92-F95 HydrophobicContact CG-CE1 4.48Å; P92-F95 WeakPolarHBondContact O-CD1 3.47Å; P92-F95 PolarHBondContact O-N 2.85Å; S93-F95 VanDerWaalsContact C-N 3.26Å; S93-F95 PolarHBondContact O-N 2.72Å; F95-F97 HydrophobicContact CD2-CB 4.06Å; F95-F97 HydrophobicContact CE1-CB 4.25Å; F95-F97 HydrophobicContact CE2-CB 3.59Å; F95-F97 AromaticContact CE2-CD2 3.88Å; F95-F97 HydrophobicContact CE2-CD2 3.88Å; F95-F97 HydrophobicContact CE2-CG 4.09Å; F95-F97 HydrophobicContact CZ-CB 3.68Å; F95-F97 HydrophobicContact CZ-CD2 4.22Å; F95-F97 HydrophobicContact CZ-CG 4.14Å; F95-F97 PolarHBondContact O-N 3.48Å; F95-F97 VanDerWaalsContact O-N 3.16Å; F95-V116 HydrophobicContact CE2-CG1 4.39Å; F95-Q117 WeakPolarHBondContact O-CB 3.38Å; F95-Q117 PolarHBondContact O-N 3.29Å; F95-L118 HydrophobicContact CD2-CD2 4.38Å
96	K	97.9	Very high	96.7	Very high	120 Å²	120	59.1 Å²	59.1	52%	0.522	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	36.7	175.1	-49.7	-62.9	179.3	-172.1	0	112.9	K46 P92 S93 S115 Q117	K46-K96 VanDerWaalsContact NZ-CB 3.33Å; K46-K96 PolarHBondContact NZ-O 3.42Å; P92-K96 PolarHBondContact O-N 3.1Å; S93-K96 PolarHBondContact O-N 3.16Å; K96-S115 VanDerWaalsContact O-O 3.09Å; K96-Q117 HydrophobicContact CB-CB 4.04Å; K96-Q117 HydrophobicContact CG-CB 4.08Å
97	F	98.6	Very high	96.8	Very high	13 Å²	13	55.5 Å²	55.5	6%	0.057	26%	0.262	C	S	.	.			trans	-68.7	132.8	176.3	-176.6	-92.8	0	0	0	111.2	M61 E71 L74 F75 P92 F95 R99 C114 S115 V116	M61-F97 HydrophobicContact CE-CZ 4.47Å; E71-F97 HydrophobicContact CG-CE1 3.68Å; E71-F97 HydrophobicContact CG-CZ 3.74Å; L74-F97 HydrophobicContact CD2-CE2 3.78Å; L74-F97 HydrophobicContact CD2-CZ 4.25Å; F75-F97 AromaticContact CE1-CD1 3.9Å; F75-F97 HydrophobicContact CE1-CD1 3.9Å; F75-F97 AromaticContact CE1-CD2 3.45Å; F75-F97 HydrophobicContact CE1-CD2 3.45Å; F75-F97 VanDerWaalsContact CE1-CD2 3.45Å; F75-F97 AromaticContact CE1-CE1 3.89Å; F75-F97 HydrophobicContact CE1-CE1 3.89Å; F75-F97 AromaticContact CE1-CE2 3.51Å; F75-F97 HydrophobicContact CE1-CE2 3.51Å; F75-F97 AromaticContact CE1-CG 3.71Å; F75-F97 HydrophobicContact CE1-CG 3.71Å; F75-F97 AromaticContact CE1-CZ 3.73Å; F75-F97 HydrophobicContact CE1-CZ 3.73Å; F75-F97 HydrophobicContact CZ-CB 4.48Å; F75-F97 AromaticContact CZ-CD1 3.53Å; F75-F97 HydrophobicContact CZ-CD1 3.53Å; F75-F97 AromaticContact CZ-CD2 3.96Å; F75-F97 HydrophobicContact CZ-CD2 3.96Å; F75-F97 AromaticContact CZ-CE1 3.66Å; F75-F97 HydrophobicContact CZ-CE1 3.66Å; F75-F97 HydrophobicContact CZ-CE2 4.14Å; F75-F97 AromaticContact CZ-CG 3.71Å; F75-F97 HydrophobicContact CZ-CG 3.71Å; F75-F97 AromaticContact CZ-CZ 3.99Å; F75-F97 HydrophobicContact CZ-CZ 3.99Å; P92-F97 HydrophobicContact CB-CB 3.76Å; P92-F97 HydrophobicContact CB-CD1 4.3Å; P92-F97 HydrophobicContact CB-CG 4.35Å; P92-F97 PolarHBondContact O-N 2.8Å; F95-F97 HydrophobicContact CD2-CB 4.06Å; F95-F97 HydrophobicContact CE1-CB 4.25Å; F95-F97 HydrophobicContact CE2-CB 3.59Å; F95-F97 AromaticContact CE2-CD2 3.88Å; F95-F97 HydrophobicContact CE2-CD2 3.88Å; F95-F97 HydrophobicContact CE2-CG 4.09Å; F95-F97 HydrophobicContact CZ-CB 3.68Å; F95-F97 HydrophobicContact CZ-CD2 4.22Å; F95-F97 HydrophobicContact CZ-CG 4.14Å; F95-F97 PolarHBondContact O-N 3.48Å; F95-F97 VanDerWaalsContact O-N 3.16Å; F97-R99 VanDerWaalsContact CD1-NH2 3.28Å; F97-R99 VanDerWaalsContact CE1-NH2 3.33Å; F97-C114 HydrophobicContact CE2-CB 3.75Å; F97-C114 HydrophobicContact CZ-CB 4.08Å; F97-S115 CarbonylContact C-O 3.57Å; F97-S115 VanDerWaalsContact CA-O 3.24Å; F97-S115 WeakPolarHBondContact CA-O 3.34Å; F97-V116 HydrophobicContact CD2-CG1 3.46Å; F97-V116 VanDerWaalsContact CD2-CG1 3.46Å; F97-V116 HydrophobicContact CE2-CG1 3.99Å; F97-V116 HydrophobicContact CG-CG1 4.46Å
98	Q	98.5	Very high	96.9	Very high	41 Å²	41	49.4 Å²	49.4	19%	0.192	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	155.1	169.7	-174.6	59	-80.2	0	0	110	C114 S115 D156 S157 K158	Q98-C114 CarbonylContact O-C 3.5Å; Q98-C114 WeakPolarHBondContact O-CA 3.11Å; Q98-C114 WeakPolarHBondContact O-CB 3.46Å; Q98-S115 PolarHBondContact N-O 2.94Å; Q98-S115 PolarHBondContact O-N 3.18Å; Q98-D156 WeakPolarHBondContact CG-OD1 3.33Å; Q98-S157 VanDerWaalsContact C-OG 3.22Å; Q98-S157 PolarHBondContact O-OG 3.39Å; Q98-K158 HydrophobicContact CG-CB 3.59Å
99	R	98.4	Very high	97	Very high	22 Å²	22	48.7 Å²	48.7	8%	0.083	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	147.8	175	62.8	-126.1	75.3	167.3	-3.6	111.4	M61 E71 F97 R102 S157	M61-R99 HydrophobicContact CE-CB 3.38Å; M61-R99 HydrophobicContact CE-CG 4.28Å; M61-R99 HydrophobicContact SD-CB 3.8Å; M61-R99 HydrophobicContact SD-CG 4.17Å; E71-R99 VanDerWaalsContact CD-CZ 3.41Å; E71-R99 WeakPolarHBondContact OE1-CD 3.14Å; E71-R99 IonicContact OE1-CZ 3.29Å; E71-R99 IonicContact OE1-NE 3.99Å; E71-R99 PolarHBondContact OE1-NE 3.13Å; E71-R99 IonicContact OE1-NH1 2.73Å; E71-R99 PolarHBondContact OE1-NH1 3.27Å; E71-R99 IonicContact OE1-NH2 2.98Å; E71-R99 IonicContact OE2-CZ 2.63Å; E71-R99 VanDerWaalsContact OE2-CZ 3.31Å; E71-R99 IonicContact OE2-NH1 3.63Å; E71-R99 PolarHBondContact OE2-NH1 3.47Å; E71-R99 IonicContact OE2-NH2 3.41Å; E71-R99 PolarHBondContact OE2-NH2 2.65Å; F97-R99 VanDerWaalsContact CD1-NH2 3.28Å; F97-R99 VanDerWaalsContact CE1-NH2 3.33Å; R99-R102 HydrophobicContact CG-CG 4.27Å; R99-S157 WeakPolarHBondContact CA-OG 3.12Å; R99-S157 PolarHBondContact N-OG 3.28Å
100	A	98.4	Very high	97.2	Very high	3 Å²	3	48.2 Å²	48.2	3%	0.025	23%	0.227	C	C	.	.	S	Bend	trans	-72.1	-34.3	178.8	0	0	0	0	0	112.1	Q112 V113 S157 C161 R164 P303 F305	A100-Q112 VanDerWaalsContact N-OE1 3.16Å; A100-V113 HydrophobicContact CB-CB 4.18Å; A100-V113 WeakPolarHBondContact CB-O 3.31Å; A100-V113 PolarHBondContact N-O 3.42Å; A100-S157 VanDerWaalsContact CA-O 3.31Å; A100-S157 WeakPolarHBondContact CA-O 3.24Å; A100-S157 WeakPolarHBondContact CB-O 3.4Å; A100-S157 PolarHBondContact N-OG 2.84Å; A100-C161 HydrophobicContact CB-CB 4.36Å; A100-R164 PolarHBondContact O-NE 2.97Å; A100-R164 PolarHBondContact O-NH2 2.9Å; A100-P303 HydrophobicContact CB-CB 3.67Å; A100-P303 HydrophobicContact CB-CG 3.87Å; A100-F305 HydrophobicContact CB-CZ 3.9Å
101	A	97.8	Very high	97.3	Very high	8 Å²	8	40.1 Å²	40.1	7%	0.066	20%	0.196	C	C	.	.	S	Bend	trans	-140.6	143.2	174.5	0	0	0	0	0	111.1	M61 Q112 R164 Y166 L300	M61-A101 VanDerWaalsContact SD-O 3.37Å; A101-Q112 PolarHBondContact O-NE2 2.58Å; A101-R164 HydrophobicContact CB-CG 4.38Å; A101-Y166 WeakPolarHBondContact CB-OH 3.41Å; A101-L300 HydrophobicContact CB-CD1 4.15Å; A101-L300 HydrophobicContact CB-CD2 3.9Å
102	R	95.8	Very high	97.5	Very high	155 Å²	155	34.3 Å²	34.3	59%	0.585	17%	0.171	S	C	*	.			trans	-83.4	146.9	165.1	-67.5	179	176.2	175.3	-5.4	108.1	Q62 R99 Y166	Q62-R102 VanDerWaalsContact OE1-NE 3.11Å; R99-R102 HydrophobicContact CG-CG 4.27Å; R102-Y166 PolarHBondContact O-OH 3.36Å
103	T	97.1	Very high	97.6	Very high	9 Å²	9	32.8 Å²	32.8	6%	0.055	16%	0.161	C	C	.	.			trans	-120.9	138.2	170	53.3	0	0	0	0	108.7	Y53 G60 M61 V107	Y53-T103 HydrophobicContact CE2-CG2 4.29Å; Y53-T103 WeakPolarHBondContact OH-CG2 3.49Å; Y53-T103 PolarHBondContact OH-OG1 2.86Å; G60-T103 VanDerWaalsContact CA-O 3.3Å; G60-T103 WeakPolarHBondContact CA-O 3.29Å; M61-T103 VanDerWaalsContact CB-OG1 3.22Å; M61-T103 WeakPolarHBondContact CB-OG1 3.15Å; M61-T103 PolarHBondContact N-O 3.22Å; M61-T103 VanDerWaalsContact N-O 3.13Å; M61-T103 PolarHBondContact N-OG1 2.88Å; T103-V107 HydrophobicContact CG2-CB 4.46Å; T103-V107 HydrophobicContact CG2-CG1 3.81Å
104	D	94.8	Very high	97.7	Very high	37 Å²	37	29.4 Å²	29.4	20%	0.198	14%	0.137	C	C	.	.			trans	-74.1	172.3	177.8	-59.6	-34.8	0	0	0	110.5	G60 G106 V107 H257	G60-D104 WeakPolarHBondContact CA-O 3.42Å; D104-G106 PolarHBondContact O-N 3.42Å; D104-V107 HydrophobicContact CB-CG2 3.93Å; D104-V107 WeakPolarHBondContact O-CB 3.39Å; D104-V107 PolarHBondContact O-N 3.32Å; D104-V107 VanDerWaalsContact O-N 3.09Å; D104-H257 IonicContact OD2-CD2 2.74Å; D104-H257 PolarHBondContact OD2-CD2 3.01Å; D104-H257 VanDerWaalsContact OD2-CD2 3.26Å; D104-H257 IonicContact OD2-NE2 2.65Å
105	K	96.2	Very high	97.8	Very high	125 Å²	125	27 Å²	27	54%	0.543	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	130.2	172.8	175.2	175.3	-175.3	-175.2	0	110.8	H59 V107 A295	H59-K105 PolarHBondContact CE1-NZ 3.26Å; K105-V107 VanDerWaalsContact C-N 3.27Å; K105-V107 PolarHBondContact O-N 3.32Å; K105-A295 WeakPolarHBondContact O-CB 3.4Å
106	G	96.3	Very high	97.9	Very high	10 Å²	10	27 Å²	27	10%	0.103	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	-10.7	179.1	0	0	0	0	0	115.6	G55 Y58 D104	G55-G106 CarbonylContact C-O 3.43Å; G55-G106 VanDerWaalsContact O-CA 3.28Å; G55-G106 WeakPolarHBondContact O-CA 3.42Å; Y58-G106 PolarHBondContact O-N 3.03Å; D104-G106 PolarHBondContact O-N 3.42Å
107	V	98.2	Very high	97.9	Very high	2 Å²	2	24 Å²	24	1%	0.012	11%	0.109	C	C	.	.			trans	-84.2	130.3	-174	175.4	0	0	0	0	111.3	G55 T103 D104 K105 A295 L298	G55-V107 WeakPolarHBondContact CA-O 3.47Å; T103-V107 HydrophobicContact CG2-CB 4.46Å; T103-V107 HydrophobicContact CG2-CG1 3.81Å; D104-V107 HydrophobicContact CB-CG2 3.93Å; D104-V107 WeakPolarHBondContact O-CB 3.39Å; D104-V107 PolarHBondContact O-N 3.32Å; D104-V107 VanDerWaalsContact O-N 3.09Å; K105-V107 VanDerWaalsContact C-N 3.27Å; K105-V107 PolarHBondContact O-N 3.32Å; V107-A295 HydrophobicContact CG2-CB 4.1Å; V107-L298 HydrophobicContact CG1-CB 4.22Å; V107-L298 HydrophobicContact CG1-CD2 3.97Å; V107-L298 HydrophobicContact CG1-CG 3.88Å; V107-L298 WeakPolarHBondContact CG1-O 3.31Å; V107-L298 HydrophobicContact CG2-CB 4.19Å; V107-L298 HydrophobicContact CG2-CD2 3.92Å; V107-L298 HydrophobicContact CG2-CG 4.35Å
108	S	98.6	Very high	97.8	Very high	5 Å²	5	23.4 Å²	23.4	4%	0.035	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	165.7	-176.8	-61.4	0	0	0	0	112.8	G55 L298 L300	G55-S108 PolarHBondContact N-OG 3.32Å; S108-L298 PolarHBondContact N-O 3.47Å; S108-L300 PolarHBondContact O-N 2.82Å
109	A	98.7	Very high	97.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	119.3	171.3	0	0	0	0	0	111	A52 Y53 R111 Q112 L300	A52-A109 CarbonylContact C-O 3.59Å; A52-A109 VanDerWaalsContact CA-O 3.23Å; A52-A109 WeakPolarHBondContact CA-O 3.4Å; Y53-A109 HydrophobicContact CD1-CB 4.1Å; Y53-A109 HydrophobicContact CD2-CB 4.12Å; Y53-A109 HydrophobicContact CE1-CB 3.64Å; Y53-A109 HydrophobicContact CE2-CB 3.61Å; Y53-A109 HydrophobicContact CG-CB 4.34Å; Y53-A109 PolarHBondContact N-O 3.06Å; Y53-A109 PolarHBondContact O-N 2.8Å; A109-R111 VanDerWaalsContact C-N 3.34Å; A109-Q112 HydrophobicContact CB-CB 4.12Å; A109-L300 CarbonylContact C-O 3.55Å; A109-L300 WeakPolarHBondContact CA-O 3.37Å; A109-L300 HydrophobicContact CB-CB 3.9Å; A109-L300 HydrophobicContact CB-CD2 4.05Å; A109-L300 HydrophobicContact CB-CG 4.42Å
110	A	98.4	Very high	97.3	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	-33.2	170.8	0	0	0	0	0	110.7	A52 L299 L300 R332 I336	A52-A110 VanDerWaalsContact CB-O 3.25Å; A52-A110 WeakPolarHBondContact CB-O 3.37Å; A110-L299 HydrophobicContact CB-CD1 4.1Å; A110-L299 HydrophobicContact CB-CD2 4.49Å; A110-L299 VanDerWaalsContact N-CD1 3.3Å; A110-L300 PolarHBondContact N-O 2.82Å; A110-R332 HydrophobicContact CB-CB 4.01Å; A110-R332 HydrophobicContact CB-CG 4.12Å; A110-I336 HydrophobicContact CB-CD1 4.49Å
111	R	98.5	Very high	96.7	Very high	16 Å²	16	25.8 Å²	25.8	6%	0.06	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	110.6	-179.5	-62.6	178.1	-174.1	78.3	1.5	110	A109 L300 E301 E302 P303 W321 C328 D329	A109-R111 VanDerWaalsContact C-N 3.34Å; R111-L300 VanDerWaalsContact O-CD2 3.3Å; R111-L300 WeakPolarHBondContact O-CD2 3.35Å; R111-L300 WeakPolarHBondContact O-CG 3.42Å; R111-E301 WeakPolarHBondContact CB-O 3.38Å; R111-E301 VanDerWaalsContact CD-O 3.3Å; R111-E301 WeakPolarHBondContact CD-O 3.46Å; R111-E301 VanDerWaalsContact CG-O 3.32Å; R111-E301 WeakPolarHBondContact CG-O 3.48Å; R111-E301 PolarHBondContact NH1-O 2.83Å; R111-E302 HydrophobicContact CB-CB 4.42Å; R111-E302 HydrophobicContact CB-CG 4.37Å; R111-P303 WeakPolarHBondContact O-CD 3.28Å; R111-W321 VanDerWaalsContact CA-CH2 3.49Å; R111-W321 HydrophobicContact CB-CD2 3.96Å; R111-W321 HydrophobicContact CB-CE3 4.04Å; R111-W321 HydrophobicContact CB-CH2 3.5Å; R111-W321 HydrophobicContact CB-CZ2 3.4Å; R111-W321 VanDerWaalsContact CB-CZ2 3.4Å; R111-W321 HydrophobicContact CB-CZ3 3.82Å; R111-W321 HydrophobicContact CG-CD2 3.79Å; R111-W321 HydrophobicContact CG-CE3 3.71Å; R111-W321 HydrophobicContact CG-CG 4.4Å; R111-W321 HydrophobicContact CG-CH2 4.07Å; R111-W321 HydrophobicContact CG-CZ2 4.16Å; R111-W321 HydrophobicContact CG-CZ3 3.84Å; R111-C328 HydrophobicContact CG-CB 4.09Å; R111-D329 IonicContact CZ-OD1 3.85Å; R111-D329 IonicContact NH1-OD1 3.47Å; R111-D329 IonicContact NH2-OD1 3.28Å; R111-D329 PolarHBondContact NH2-OD1 3.46Å; R111-D329 IonicContact NH2-OD2 3.8Å
112	Q	98.6	Very high	95.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	148.2	173.4	175.4	65.2	-105.8	0	0	109.5	L51 Y53 M61 A100 A101 A109 L300 W321	L51-Q112 HydrophobicContact CD2-CB 3.82Å; L51-Q112 HydrophobicContact CD2-CG 3.7Å; L51-Q112 WeakPolarHBondContact CD2-O 2.76Å; L51-Q112 HydrophobicContact CG-CB 4.05Å; L51-Q112 HydrophobicContact CG-CG 4.26Å; L51-Q112 PolarHBondContact N-O 3.26Å; L51-Q112 WeakPolarHBondContact O-CB 3.27Å; L51-Q112 PolarHBondContact O-N 3.48Å; Y53-Q112 HydrophobicContact CE1-CB 4.07Å; Y53-Q112 HydrophobicContact CE1-CG 4.2Å; M61-Q112 HydrophobicContact CE-CG 3.75Å; M61-Q112 HydrophobicContact SD-CG 3.98Å; M61-Q112 PolarHBondContact SD-NE2 3.35Å; M61-Q112 VanDerWaalsContact SD-NE2 3.41Å; A100-Q112 VanDerWaalsContact N-OE1 3.16Å; A101-Q112 PolarHBondContact O-NE2 2.58Å; A109-Q112 HydrophobicContact CB-CB 4.12Å; Q112-L300 HydrophobicContact CB-CD2 4.17Å; Q112-L300 VanDerWaalsContact NE2-CD2 3.27Å; Q112-W321 VanDerWaalsContact O-CH2 3.24Å; Q112-W321 WeakPolarHBondContact O-CH2 3.47Å
113	V	98.7	Very high	94.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123	173.2	179.4	0	0	0	0	110.8	A48 L49 L50 A100 F155 S157 P303 F305 I319 W321	A48-V113 HydrophobicContact CB-CG1 3.97Å; L49-V113 WeakPolarHBondContact O-CA 3.44Å; L50-V113 HydrophobicContact CD1-CG2 4.33Å; L50-V113 HydrophobicContact CG-CG2 4.34Å; A100-V113 HydrophobicContact CB-CB 4.18Å; A100-V113 WeakPolarHBondContact CB-O 3.31Å; A100-V113 PolarHBondContact N-O 3.42Å; V113-F155 HydrophobicContact CG1-CZ 4.23Å; V113-S157 WeakPolarHBondContact O-CB 3.25Å; V113-S157 PolarHBondContact O-OG 2.73Å; V113-P303 HydrophobicContact CB-CG 4.2Å; V113-P303 HydrophobicContact CG2-CG 3.87Å; V113-F305 HydrophobicContact CB-CE2 3.72Å; V113-F305 HydrophobicContact CB-CZ 3.79Å; V113-F305 HydrophobicContact CG1-CE2 3.99Å; V113-F305 HydrophobicContact CG1-CZ 3.84Å; V113-F305 HydrophobicContact CG2-CD2 4.47Å; V113-F305 HydrophobicContact CG2-CE2 3.59Å; V113-F305 HydrophobicContact CG2-CZ 4.2Å; V113-I319 HydrophobicContact CG1-CG2 4.42Å; V113-I319 HydrophobicContact CG2-CG2 4.25Å; V113-W321 HydrophobicContact CG2-CH2 4.3Å; V113-W321 HydrophobicContact CG2-CZ2 3.53Å
114	C	98.7	Very high	94.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	135.1	169.9	-62	0	0	0	0	111.2	A48 L49 L51 M61 F97 Q98	A48-C114 CarbonylContact C-O 3.55Å; A48-C114 VanDerWaalsContact CA-O 3.31Å; A48-C114 WeakPolarHBondContact CA-O 3.07Å; L49-C114 HydrophobicContact CB-CB 4.27Å; L49-C114 PolarHBondContact N-O 3.38Å; L49-C114 PolarHBondContact O-N 3.05Å; L51-C114 HydrophobicContact CD2-CB 4.4Å; M61-C114 WeakPolarHBondContact CE-SG 3.31Å; F97-C114 HydrophobicContact CE2-CB 3.75Å; F97-C114 HydrophobicContact CZ-CB 4.08Å; Q98-C114 CarbonylContact O-C 3.5Å; Q98-C114 WeakPolarHBondContact O-CA 3.11Å; Q98-C114 WeakPolarHBondContact O-CB 3.46Å
115	S	98.7	Very high	93.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	135.5	168.2	79.2	0	0	0	0	110.1	K46 Y47 K96 F97 Q98 F155 S157	K46-S115 PolarHBondContact NZ-OG 3.03Å; K46-S115 VanDerWaalsContact NZ-OG 3.17Å; Y47-S115 CarbonylContact O-C 3.37Å; Y47-S115 VanDerWaalsContact O-CA 3.32Å; Y47-S115 WeakPolarHBondContact O-CA 3.43Å; K96-S115 VanDerWaalsContact O-O 3.09Å; F97-S115 CarbonylContact C-O 3.57Å; F97-S115 VanDerWaalsContact CA-O 3.24Å; F97-S115 WeakPolarHBondContact CA-O 3.34Å; Q98-S115 PolarHBondContact N-O 2.94Å; Q98-S115 PolarHBondContact O-N 3.18Å; S115-F155 VanDerWaalsContact CB-CE1 3.46Å; S115-S157 PolarHBondContact N-OG 2.96Å; S115-S157 PolarHBondContact OG-N 2.88Å
116	V	98.4	Very high	93.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	150.8	-177.7	-61.8	0	0	0	0	111.4	K46 Y47 L49 F95 F97 L118	K46-V116 WeakPolarHBondContact CA-O 3.47Å; K46-V116 WeakPolarHBondContact CD-O 3.4Å; Y47-V116 PolarHBondContact N-O 3.43Å; Y47-V116 PolarHBondContact O-N 3.49Å; L49-V116 HydrophobicContact CD1-CG1 3.85Å; L49-V116 HydrophobicContact CD1-CG2 3.85Å; L49-V116 HydrophobicContact CD2-CG2 3.89Å; L49-V116 HydrophobicContact CG-CG1 4.3Å; L49-V116 HydrophobicContact CG-CG2 3.7Å; F95-V116 HydrophobicContact CE2-CG1 4.39Å; F97-V116 HydrophobicContact CD2-CG1 3.46Å; F97-V116 VanDerWaalsContact CD2-CG1 3.46Å; F97-V116 HydrophobicContact CE2-CG1 3.99Å; F97-V116 HydrophobicContact CG-CG1 4.46Å; V116-L118 HydrophobicContact CB-CD1 4.38Å; V116-L118 HydrophobicContact CB-CD2 4.43Å; V116-L118 HydrophobicContact CB-CG 4.11Å; V116-L118 HydrophobicContact CG2-CD1 3.63Å; V116-L118 HydrophobicContact CG2-CG 3.73Å
117	Q	97.7	Very high	93.6	Very high	57 Å²	57	30.9 Å²	30.9	27%	0.266	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	110	173	-178	175.1	28.8	0	0	110.3	K44 L45 K46 F95 K96	K44-Q117 HydrophobicContact CB-CG 3.74Å; K44-Q117 PolarHBondContact O-NE2 2.94Å; L45-Q117 CarbonylContact O-C 3.47Å; L45-Q117 VanDerWaalsContact O-CA 3.22Å; L45-Q117 WeakPolarHBondContact O-CA 3.49Å; K46-Q117 HydrophobicContact CD-CB 4.16Å; F95-Q117 WeakPolarHBondContact O-CB 3.38Å; F95-Q117 PolarHBondContact O-N 3.29Å; K96-Q117 HydrophobicContact CB-CB 4.04Å; K96-Q117 HydrophobicContact CG-CB 4.08Å
118	L	96.8	Very high	93.5	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	153	-169.4	-59.5	-179.5	0	0	0	112.4	K44 L45 Y47 L78 I84 F95 V116 L120	K44-L118 WeakPolarHBondContact CA-O 3.42Å; L45-L118 PolarHBondContact N-O 2.74Å; L45-L118 PolarHBondContact O-N 2.8Å; Y47-L118 HydrophobicContact CD2-CB 4.3Å; Y47-L118 HydrophobicContact CE2-CB 4.43Å; L78-L118 HydrophobicContact CD2-CD1 3.73Å; L78-L118 HydrophobicContact CD2-CD2 4.16Å; I84-L118 HydrophobicContact CG2-CD2 3.65Å; F95-L118 HydrophobicContact CD2-CD2 4.38Å; V116-L118 HydrophobicContact CB-CD1 4.38Å; V116-L118 HydrophobicContact CB-CD2 4.43Å; V116-L118 HydrophobicContact CB-CG 4.11Å; V116-L118 HydrophobicContact CG2-CD1 3.63Å; V116-L118 HydrophobicContact CG2-CG 3.73Å; L118-L120 VanDerWaalsContact C-N 3.27Å; L118-L120 HydrophobicContact CB-CD1 4.47Å; L118-L120 HydrophobicContact CB-CD2 4.37Å; L118-L120 HydrophobicContact CB-CG 3.93Å; L118-L120 HydrophobicContact CD1-CD1 4.35Å; L118-L120 HydrophobicContact CD1-CG 4.49Å; L118-L120 PolarHBondContact O-N 3.29Å
119	P	95.3	Very high	93.4	Very high	5 Å²	5	30.8 Å²	30.8	3%	0.032	15%	0.153	C	C	.	.			trans	-88	46.8	178.1	37.5	-36.2	0	0	0	112.7	V40 R42 K44 Y83	V40-P119 HydrophobicContact CB-CG 4.44Å; V40-P119 HydrophobicContact CG1-CB 4.16Å; V40-P119 HydrophobicContact CG1-CG 4.48Å; R42-P119 HydrophobicContact CB-CB 4.07Å; K44-P119 HydrophobicContact CG-CB 4.29Å; Y83-P119 WeakPolarHBondContact O-CD 3.49Å
120	L	92.7	Very high	93.3	Very high	7 Å²	7	34.9 Å²	34.9	4%	0.037	18%	0.178	C	C	.	.			trans	-75.1	152.6	178.7	-53.3	-178.2	0	0	0	111	Y47 Y83 L118 A128 V148	Y47-L120 HydrophobicContact CD2-CD1 4.3Å; Y47-L120 HydrophobicContact CE1-CD1 4.34Å; Y47-L120 HydrophobicContact CE2-CB 4.18Å; Y47-L120 HydrophobicContact CE2-CD1 4.07Å; Y47-L120 HydrophobicContact CE2-CG 4.16Å; Y83-L120 HydrophobicContact CD1-CD2 3.8Å; Y83-L120 HydrophobicContact CD2-CD2 3.75Å; Y83-L120 HydrophobicContact CE1-CD2 3.53Å; Y83-L120 HydrophobicContact CE2-CD2 3.5Å; Y83-L120 VanDerWaalsContact CE2-CD2 3.5Å; Y83-L120 HydrophobicContact CG-CD2 3.91Å; L118-L120 VanDerWaalsContact C-N 3.27Å; L118-L120 HydrophobicContact CB-CD1 4.47Å; L118-L120 HydrophobicContact CB-CD2 4.37Å; L118-L120 HydrophobicContact CB-CG 3.93Å; L118-L120 HydrophobicContact CD1-CD1 4.35Å; L118-L120 HydrophobicContact CD1-CG 4.49Å; L118-L120 PolarHBondContact O-N 3.29Å; L120-A128 HydrophobicContact CD1-CB 4.1Å; L120-A128 HydrophobicContact CD2-CB 4.2Å; L120-V148 HydrophobicContact CD1-CG1 3.79Å
121	K	85.5	Confident	93.2	Very high	104 Å²	104	36.9 Å²	36.9	45%	0.452	19%	0.192	S	C	.	.			trans	-72.5	148.4	164.4	-53.2	178.9	178.2	178.7	0	108.6	R42 D123 A124	R42-K121 VanDerWaalsContact NH2-CE 3.32Å; K121-D123 VanDerWaalsContact C-N 3.26Å; K121-D123 VanDerWaalsContact CB-OD1 3.29Å; K121-D123 WeakPolarHBondContact CB-OD1 3.33Å; K121-D123 PolarHBondContact O-N 3.23Å; K121-A124 HydrophobicContact CB-CB 3.72Å; K121-A124 HydrophobicContact CD-CB 4.46Å; K121-A124 HydrophobicContact CG-CB 4.4Å; K121-A124 PolarHBondContact O-N 2.98Å
122	E	75.8	Confident	93.2	Very high	129 Å²	129	36.2 Å²	36.2	60%	0.603	19%	0.19	S	C	*	.	S	Bend	trans	-65.7	-31.4	-172	-55.3	-157.6	139.8	0	0	113.1	L45 R150	L45-E122 HydrophobicContact CD1-CG 4.24Å; E122-R150 VanDerWaalsContact CD-NH1 3.31Å; E122-R150 IonicContact OE1-CZ 3.96Å; E122-R150 IonicContact OE1-NH1 3.94Å; E122-R150 PolarHBondContact OE1-NH1 3.18Å; E122-R150 IonicContact OE1-NH2 3.26Å; E122-R150 PolarHBondContact OE1-NH2 3.33Å
123	D	80	Confident	93.1	Very high	130 Å²	130	37.8 Å²	37.8	70%	0.695	20%	0.198	S	C	*	.	S	Bend	trans	-87.5	-15.3	177.1	57.4	-24.7	0	0	0	113.5	K121 T125	K121-D123 VanDerWaalsContact C-N 3.26Å; K121-D123 VanDerWaalsContact CB-OD1 3.29Å; K121-D123 WeakPolarHBondContact CB-OD1 3.33Å; K121-D123 PolarHBondContact O-N 3.23Å; D123-T125 VanDerWaalsContact C-N 3.33Å; D123-T125 PolarHBondContact O-N 2.83Å
124	A	83.4	Confident	93.1	Very high	18 Å²	18	45.8 Å²	45.8	15%	0.149	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	23.6	-170.3	0	0	0	0	0	115.2	K121 D126 E127 A128	K121-A124 HydrophobicContact CB-CB 3.72Å; K121-A124 HydrophobicContact CD-CB 4.46Å; K121-A124 HydrophobicContact CG-CB 4.4Å; K121-A124 PolarHBondContact O-N 2.98Å; A124-D126 VanDerWaalsContact C-N 3.33Å; A124-E127 VanDerWaalsContact C-OE2 3.24Å; A124-E127 WeakPolarHBondContact CA-OE2 3.11Å; A124-A128 WeakPolarHBondContact O-CB 3.39Å; A124-A128 PolarHBondContact O-N 2.92Å
125	T	87.9	Confident	93.1	Very high	26 Å²	26	48.7 Å²	48.7	16%	0.16	25%	0.25	C	S	.	.	H	α-helix	trans	-69.6	-32.7	-176.1	52.3	0	0	0	0	112.3	Y47 D123 A128 V129 V148	Y47-T125 HydrophobicContact CE1-CG2 4.18Å; D123-T125 VanDerWaalsContact C-N 3.33Å; D123-T125 PolarHBondContact O-N 2.83Å; T125-A128 PolarHBondContact O-N 2.86Å; T125-V129 WeakPolarHBondContact O-CG2 3.4Å; T125-V129 PolarHBondContact O-N 2.7Å; T125-V129 VanDerWaalsContact O-N 3.09Å; T125-V148 HydrophobicContact CG2-CB 4.32Å; T125-V148 HydrophobicContact CG2-CG1 3.98Å
126	D	91.8	Very high	93.1	Very high	41 Å²	41	49 Å²	49	22%	0.219	25%	0.252	C	S	.	.	H	α-helix	trans	-70.9	-44.4	178.3	-177.1	17.3	0	0	0	111.5	A124 A128 V129 T130 K145	A124-D126 VanDerWaalsContact C-N 3.33Å; D126-A128 VanDerWaalsContact C-N 3.27Å; D126-A128 PolarHBondContact O-N 2.82Å; D126-V129 WeakPolarHBondContact O-CB 3.32Å; D126-V129 PolarHBondContact O-N 2.92Å; D126-V129 VanDerWaalsContact O-N 3.17Å; D126-T130 PolarHBondContact O-N 3.44Å; D126-T130 PolarHBondContact O-OG1 3.22Å; D126-T130 VanDerWaalsContact O-OG1 3.1Å; D126-K145 HydrophobicContact CB-CB 4.29Å; D126-K145 VanDerWaalsContact OD1-CB 3.25Å; D126-K145 WeakPolarHBondContact OD1-CB 3.23Å; D126-K145 VanDerWaalsContact OD1-CD 3.25Å; D126-K145 WeakPolarHBondContact OD1-CD 3.33Å; D126-K145 VanDerWaalsContact OD1-CE 3.26Å; D126-K145 WeakPolarHBondContact OD1-CE 3.3Å; D126-K145 WeakPolarHBondContact OD1-CG 3.19Å; D126-K145 IonicContact OD1-NZ 2.98Å; D126-K145 WeakPolarHBondContact OD2-CD 3.42Å; D126-K145 WeakPolarHBondContact OD2-CE 3.38Å; D126-K145 IonicContact OD2-NZ 3.69Å; D126-K145 PolarHBondContact OD2-NZ 3.26Å
127	E	93.7	Very high	93.1	Very high	108 Å²	108	50.7 Å²	50.7	51%	0.505	26%	0.263	S	S	.	.	H	α-helix	trans	-62.3	-37.7	174.5	-63.3	84.1	168.7	0	0	110.9	A124 T130 S131	A124-E127 VanDerWaalsContact C-OE2 3.24Å; A124-E127 WeakPolarHBondContact CA-OE2 3.11Å; E127-T130 PolarHBondContact O-N 2.7Å; E127-S131 VanDerWaalsContact O-CB 3.29Å; E127-S131 WeakPolarHBondContact O-CB 3.28Å; E127-S131 PolarHBondContact O-N 3.2Å; E127-S131 PolarHBondContact O-OG 3.41Å
128	A	95	Very high	93	Very high	1 Å²	1	53 Å²	53	1%	0.008	28%	0.277	C	S	.	.	H	α-helix	trans	-63.2	-43.4	174.2	0	0	0	0	0	111.9	Y83 L120 A124 T125 D126 L132	Y83-A128 HydrophobicContact CE2-CB 4.19Å; L120-A128 HydrophobicContact CD1-CB 4.1Å; L120-A128 HydrophobicContact CD2-CB 4.2Å; A124-A128 WeakPolarHBondContact O-CB 3.39Å; A124-A128 PolarHBondContact O-N 2.92Å; T125-A128 PolarHBondContact O-N 2.86Å; D126-A128 VanDerWaalsContact C-N 3.27Å; D126-A128 PolarHBondContact O-N 2.82Å; A128-L132 VanDerWaalsContact O-CB 3.31Å; A128-L132 WeakPolarHBondContact O-CB 3.27Å; A128-L132 WeakPolarHBondContact O-CD1 3.39Å; A128-L132 WeakPolarHBondContact O-CG 3.41Å; A128-L132 PolarHBondContact O-N 3.42Å
129	V	96.4	Very high	93.1	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.024	28%	0.281	C	S	.	.	H	α-helix	trans	-59	-49.9	174.1	170.9	0	0	0	0	110.6	T125 D126 S131 L132 N133 I142 G144 V148	T125-V129 WeakPolarHBondContact O-CG2 3.4Å; T125-V129 PolarHBondContact O-N 2.7Å; T125-V129 VanDerWaalsContact O-N 3.09Å; D126-V129 WeakPolarHBondContact O-CB 3.32Å; D126-V129 PolarHBondContact O-N 2.92Å; D126-V129 VanDerWaalsContact O-N 3.17Å; V129-S131 PolarHBondContact O-N 2.71Å; V129-L132 PolarHBondContact O-N 3.22Å; V129-N133 WeakPolarHBondContact O-CB 3.09Å; V129-N133 PolarHBondContact O-N 3.23Å; V129-N133 PolarHBondContact O-ND2 3.31Å; V129-I142 HydrophobicContact CB-CG2 4.42Å; V129-I142 HydrophobicContact CG1-CB 4.3Å; V129-I142 HydrophobicContact CG1-CG2 4.13Å; V129-I142 HydrophobicContact CG2-CG2 3.88Å; V129-G144 WeakPolarHBondContact CG1-O 3.4Å; V129-G144 WeakPolarHBondContact CG2-O 3.22Å; V129-V148 HydrophobicContact CG2-CB 4.33Å; V129-V148 HydrophobicContact CG2-CG2 3.6Å
130	T	96.6	Very high	93.2	Very high	85 Å²	85	53.4 Å²	53.4	52%	0.521	28%	0.279	S	S	.	.	H	α-helix	trans	-60.6	-47.1	-177.5	-59.4	0	0	0	0	111	D126 E127 N133 H134	D126-T130 PolarHBondContact O-N 3.44Å; D126-T130 PolarHBondContact O-OG1 3.22Å; D126-T130 VanDerWaalsContact O-OG1 3.1Å; E127-T130 PolarHBondContact O-N 2.7Å; T130-N133 PolarHBondContact O-N 3.01Å; T130-H134 PolarHBondContact O-N 2.9Å; T130-H134 VanDerWaalsContact O-N 3.08Å
131	S	97	Very high	93.5	Very high	42 Å²	42	55.7 Å²	55.7	29%	0.294	29%	0.287	S	S	.	.	H	α-helix	trans	-66.5	-39.4	-179.7	-53.8	0	0	0	0	112.5	E127 V129 H134	E127-S131 VanDerWaalsContact O-CB 3.29Å; E127-S131 WeakPolarHBondContact O-CB 3.28Å; E127-S131 PolarHBondContact O-N 3.2Å; E127-S131 PolarHBondContact O-OG 3.41Å; V129-S131 PolarHBondContact O-N 2.71Å; S131-H134 PolarHBondContact O-N 2.82Å
132	L	98	Very high	94.1	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-64.5	-48.2	175.9	-76.9	168	0	0	0	111.2	A77 L78 L81 A128 V129 H134 L135 L136 I142	A77-L132 HydrophobicContact CB-CD2 3.91Å; L78-L132 HydrophobicContact CD2-CD2 3.94Å; L78-L132 HydrophobicContact CG-CD2 4.24Å; L81-L132 HydrophobicContact CD1-CD2 3.74Å; L81-L132 HydrophobicContact CD1-CG 3.85Å; A128-L132 VanDerWaalsContact O-CB 3.31Å; A128-L132 WeakPolarHBondContact O-CB 3.27Å; A128-L132 WeakPolarHBondContact O-CD1 3.39Å; A128-L132 WeakPolarHBondContact O-CG 3.41Å; A128-L132 PolarHBondContact O-N 3.42Å; V129-L132 PolarHBondContact O-N 3.22Å; L132-H134 PolarHBondContact O-N 2.8Å; L132-L135 PolarHBondContact O-N 3.09Å; L132-L136 HydrophobicContact CB-CD1 4.4Å; L132-L136 VanDerWaalsContact O-CG 3.27Å; L132-L136 WeakPolarHBondContact O-CG 3.31Å; L132-L136 PolarHBondContact O-N 2.79Å; L132-I142 HydrophobicContact CB-CG1 4.13Å; L132-I142 HydrophobicContact CD1-CG1 4.24Å
133	N	98.2	Very high	95.1	Very high	34 Å²	34	45.1 Å²	45.1	18%	0.182	24%	0.239	C	C	.	.	H	α-helix	trans	-64.3	-28.1	180	-77.6	-27.1	0	0	0	113.1	V129 T130 L135 R141 I142	V129-N133 WeakPolarHBondContact O-CB 3.09Å; V129-N133 PolarHBondContact O-N 3.23Å; V129-N133 PolarHBondContact O-ND2 3.31Å; T130-N133 PolarHBondContact O-N 3.01Å; N133-L135 PolarHBondContact O-N 3.47Å; N133-R141 PolarHBondContact O-NH1 3.32Å; N133-I142 PolarHBondContact ND2-O 3Å; N133-I142 PolarHBondContact OD1-N 3.39Å
134	H	98	Very high	95.5	Very high	168 Å²	168	39.2 Å²	39.2	78%	0.778	21%	0.21	S	C	*	.	H	α-helix	trans	-68	-23.7	173.8	-166.4	68.9	0	0	0	113.2	T130 S131 L132	T130-H134 PolarHBondContact O-N 2.9Å; T130-H134 VanDerWaalsContact O-N 3.08Å; S131-H134 PolarHBondContact O-N 2.82Å; L132-H134 PolarHBondContact O-N 2.8Å
135	L	98.4	Very high	95.8	Very high	61 Å²	61	44.2 Å²	44.2	32%	0.319	23%	0.228	S	C	.	.	H	α-helix	trans	-100.4	-20.4	-179.8	-65.6	172.5	0	0	0	113.3	A77 K80 L81 L132 N133	A77-L135 HydrophobicContact CB-CB 3.86Å; A77-L135 HydrophobicContact CB-CD1 4.4Å; K80-L135 HydrophobicContact CB-CD1 3.81Å; K80-L135 HydrophobicContact CD-CD2 4.16Å; L81-L135 HydrophobicContact CD1-CD1 4.1Å; L81-L135 HydrophobicContact CD2-CD1 3.69Å; L81-L135 HydrophobicContact CG-CD1 3.58Å; L132-L135 PolarHBondContact O-N 3.09Å; N133-L135 PolarHBondContact O-N 3.47Å
136	L	98.5	Very high	95.9	Very high	7 Å²	7	46.8 Å²	46.8	4%	0.037	24%	0.24	C	C	.	.	S	Bend	trans	-81.9	145.3	-179.8	-72.5	168	0	0	0	111.4	A77 L132 I140 R141 I142	A77-L136 HydrophobicContact CB-CD2 4.11Å; A77-L136 HydrophobicContact CB-CG 4.24Å; L132-L136 HydrophobicContact CB-CD1 4.4Å; L132-L136 VanDerWaalsContact O-CG 3.27Å; L132-L136 WeakPolarHBondContact O-CG 3.31Å; L132-L136 PolarHBondContact O-N 2.79Å; L136-I140 WeakPolarHBondContact CB-O 3.42Å; L136-I140 HydrophobicContact CD1-CG2 4.36Å; L136-I140 HydrophobicContact CD2-CG2 4.08Å; L136-R141 PolarHBondContact O-NH1 2.67Å; L136-I142 HydrophobicContact CD1-CD1 4.29Å; L136-I142 HydrophobicContact CD1-CG1 3.93Å
137	P	97.8	Very high	96.1	Very high	34 Å²	34	44.9 Å²	44.9	22%	0.221	23%	0.23	C	C	.	.			trans	-54.2	152.9	168.5	-23.9	33.6	0	0	0	112.7	Y58 Y73 D139 I140 R141	Y58-P137 WeakPolarHBondContact OH-CB 3.48Å; Y73-P137 HydrophobicContact CD1-CG 3.49Å; Y73-P137 VanDerWaalsContact CD1-CG 3.49Å; Y73-P137 HydrophobicContact CD2-CG 4.4Å; Y73-P137 HydrophobicContact CE1-CG 3.8Å; Y73-P137 HydrophobicContact CG-CG 3.82Å; P137-D139 PolarHBondContact O-N 3.11Å; P137-D139 VanDerWaalsContact O-N 3.08Å; P137-I140 HydrophobicContact CG-CD1 4.29Å; P137-I140 CarbonylContact O-C 3.48Å; P137-I140 PolarHBondContact O-N 2.9Å; P137-R141 PolarHBondContact O-NH1 3.47Å
138	D	96.8	Very high	96.2	Very high	107 Å²	107	40 Å²	40	57%	0.572	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-27.3	-174.1	-71.5	-8.7	0	0	0	115	R141	D138-R141 VanDerWaalsContact CA-CZ 3.45Å; D138-R141 PolarHBondContact O-NE 2.74Å; D138-R141 IonicContact OD1-CZ 2.65Å; D138-R141 IonicContact OD1-NH2 3.16Å; D138-R141 PolarHBondContact OD1-NH2 2.76Å
139	D	97.5	Very high	96.2	Very high	14 Å²	14	40.4 Å²	40.4	8%	0.075	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	16.9	177.9	61.2	2.2	0	0	0	114	Y53 R54 Y58 P137	Y53-D139 CarbonylContact C-O 3.55Å; Y53-D139 WeakPolarHBondContact CA-O 3.39Å; Y53-D139 VanDerWaalsContact CB-O 3.31Å; Y53-D139 WeakPolarHBondContact CB-O 3.27Å; R54-D139 HydrophobicContact CB-CB 3.92Å; R54-D139 IonicContact CZ-OD2 2.64Å; R54-D139 PolarHBondContact N-O 3.4Å; R54-D139 IonicContact NE-OD2 3.6Å; R54-D139 PolarHBondContact NE-OD2 2.93Å; R54-D139 IonicContact NH2-OD2 3.69Å; R54-D139 PolarHBondContact NH2-OD2 3.03Å; Y58-D139 PolarHBondContact OH-OD1 3.24Å; P137-D139 PolarHBondContact O-N 3.11Å; P137-D139 VanDerWaalsContact O-N 3.08Å
140	I	98.4	Very high	96.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	117.7	164.9	-52.9	175.9	0	0	0	108.9	Y58 I70 Y73 L136 P137	Y58-I140 HydrophobicContact CE1-CD1 3.83Å; Y58-I140 HydrophobicContact CE2-CD1 4.29Å; Y58-I140 HydrophobicContact CE2-CG1 4.22Å; I70-I140 HydrophobicContact CD1-CD1 3.77Å; I70-I140 HydrophobicContact CD1-CG1 4Å; I70-I140 HydrophobicContact CG2-CD1 4.32Å; I70-I140 HydrophobicContact CG2-CG2 4.18Å; Y73-I140 HydrophobicContact CD2-CD1 4.14Å; Y73-I140 HydrophobicContact CG-CD1 4.25Å; L136-I140 WeakPolarHBondContact CB-O 3.42Å; L136-I140 HydrophobicContact CD1-CG2 4.36Å; L136-I140 HydrophobicContact CD2-CG2 4.08Å; P137-I140 HydrophobicContact CG-CD1 4.29Å; P137-I140 CarbonylContact O-C 3.48Å; P137-I140 PolarHBondContact O-N 2.9Å
141	R	98.3	Very high	96.2	Very high	54 Å²	54	40 Å²	40	20%	0.204	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	134.1	-173.6	-68.1	-64.3	178.7	-127.1	20.7	113.3	L51 A52 N133 L136 P137 D138 M143 F331	L51-R141 CarbonylContact C-O 3.51Å; L51-R141 WeakPolarHBondContact CA-O 3.46Å; L51-R141 VanDerWaalsContact CB-O 3.29Å; L51-R141 WeakPolarHBondContact CB-O 3.36Å; A52-R141 PolarHBondContact N-O 3.32Å; A52-R141 PolarHBondContact O-N 3.3Å; N133-R141 PolarHBondContact O-NH1 3.32Å; L136-R141 PolarHBondContact O-NH1 2.67Å; P137-R141 PolarHBondContact O-NH1 3.47Å; D138-R141 VanDerWaalsContact CA-CZ 3.45Å; D138-R141 PolarHBondContact O-NE 2.74Å; D138-R141 IonicContact OD1-CZ 2.65Å; D138-R141 IonicContact OD1-NH2 3.16Å; D138-R141 PolarHBondContact OD1-NH2 2.76Å; R141-M143 HydrophobicContact CB-SD 3.7Å; R141-F331 HydrophobicContact CB-CE2 4.38Å; R141-F331 HydrophobicContact CG-CD2 4.37Å; R141-F331 HydrophobicContact CG-CE2 3.95Å
142	I	98.2	Very high	96.2	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	120.4	161.8	-52.2	-54.9	0	0	0	107.4	L51 L74 V129 L132 N133 L136 G144 A147 V148	L51-I142 HydrophobicContact CB-CD1 3.82Å; L74-I142 HydrophobicContact CD1-CD1 4.31Å; V129-I142 HydrophobicContact CB-CG2 4.42Å; V129-I142 HydrophobicContact CG1-CB 4.3Å; V129-I142 HydrophobicContact CG1-CG2 4.13Å; V129-I142 HydrophobicContact CG2-CG2 3.88Å; L132-I142 HydrophobicContact CB-CG1 4.13Å; L132-I142 HydrophobicContact CD1-CG1 4.24Å; N133-I142 PolarHBondContact ND2-O 3Å; N133-I142 PolarHBondContact OD1-N 3.39Å; L136-I142 HydrophobicContact CD1-CD1 4.29Å; L136-I142 HydrophobicContact CD1-CG1 3.93Å; I142-G144 VanDerWaalsContact C-N 3.35Å; I142-G144 PolarHBondContact O-N 3.24Å; I142-A147 HydrophobicContact CG2-CB 3.68Å; I142-V148 HydrophobicContact CG2-CG2 4.33Å
143	M	96.3	Very high	96.1	Very high	9 Å²	9	48.9 Å²	48.9	4%	0.044	23%	0.228	C	C	.	.			trans	-83.1	70.5	-158	-63	-52.3	-82.3	0	0	113.6	L50 A52 R141 A147 V324 K327 C328 F331	L50-M143 PolarHBondContact O-N 3.2Å; A52-M143 HydrophobicContact CB-CE 3.83Å; A52-M143 HydrophobicContact CB-CG 3.86Å; A52-M143 HydrophobicContact CB-SD 3.51Å; A52-M143 VanDerWaalsContact CB-SD 3.51Å; R141-M143 HydrophobicContact CB-SD 3.7Å; M143-A147 HydrophobicContact CB-CB 4.46Å; M143-A147 WeakPolarHBondContact O-CB 3.31Å; M143-V324 HydrophobicContact CB-CB 4.45Å; M143-V324 HydrophobicContact CB-CG2 4.48Å; M143-V324 WeakPolarHBondContact O-CB 3.45Å; M143-V324 WeakPolarHBondContact O-CG1 3.22Å; M143-K327 VanDerWaalsContact CE-C 3.48Å; M143-K327 HydrophobicContact CE-CB 4.21Å; M143-K327 VanDerWaalsContact CE-O 3.23Å; M143-K327 WeakPolarHBondContact CE-O 3.29Å; M143-C328 VanDerWaalsContact CE-CA 3.45Å; M143-C328 HydrophobicContact CE-CB 4.19Å; M143-F331 HydrophobicContact CE-CB 3.73Å; M143-F331 HydrophobicContact CE-CG 4.23Å
144	G	90.2	Very high	96.1	Very high	7 Å²	7	50 Å²	50	7%	0.072	25%	0.247	C	C	.	.	S	Bend	trans	87.1	172.9	173.3	0	0	0	0	0	114.9	V129 I142 L146 A147	V129-G144 WeakPolarHBondContact CG1-O 3.4Å; V129-G144 WeakPolarHBondContact CG2-O 3.22Å; I142-G144 VanDerWaalsContact C-N 3.35Å; I142-G144 PolarHBondContact O-N 3.24Å; G144-L146 PolarHBondContact O-N 3.39Å; G144-L146 VanDerWaalsContact O-N 3.09Å; G144-A147 WeakPolarHBondContact O-CB 3.46Å; G144-A147 PolarHBondContact O-N 3.44Å
145	K	88.2	Confident	96.1	Very high	123 Å²	123	42 Å²	42	54%	0.535	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-27.8	-162.5	-55.3	-166.3	146.2	-151.6	0	114.6	D126	D126-K145 HydrophobicContact CB-CB 4.29Å; D126-K145 VanDerWaalsContact OD1-CB 3.25Å; D126-K145 WeakPolarHBondContact OD1-CB 3.23Å; D126-K145 VanDerWaalsContact OD1-CD 3.25Å; D126-K145 WeakPolarHBondContact OD1-CD 3.33Å; D126-K145 VanDerWaalsContact OD1-CE 3.26Å; D126-K145 WeakPolarHBondContact OD1-CE 3.3Å; D126-K145 WeakPolarHBondContact OD1-CG 3.19Å; D126-K145 IonicContact OD1-NZ 2.98Å; D126-K145 WeakPolarHBondContact OD2-CD 3.42Å; D126-K145 WeakPolarHBondContact OD2-CE 3.38Å; D126-K145 IonicContact OD2-NZ 3.69Å; D126-K145 PolarHBondContact OD2-NZ 3.26Å
146	L	90.6	Very high	96.1	Very high	80 Å²	80	40.6 Å²	40.6	42%	0.419	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	7.7	-179.7	-61.5	-179.1	0	0	0	113.5	G144 V148 V149 T323	G144-L146 PolarHBondContact O-N 3.39Å; G144-L146 VanDerWaalsContact O-N 3.09Å; L146-V148 PolarHBondContact O-N 3.13Å; L146-V149 VanDerWaalsContact O-CG2 3.28Å; L146-V149 WeakPolarHBondContact O-CG2 3.22Å; L146-T323 HydrophobicContact CD1-CG2 3.83Å
147	A	95.7	Very high	96.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.201	C	C	.	.			trans	-77.4	-0.9	-178.1	0	0	0	0	0	114.8	L49 L50 I142 M143 G144	L49-A147 CarbonylContact C-O 3.46Å; L49-A147 WeakPolarHBondContact CA-O 3.46Å; L50-A147 HydrophobicContact CB-CB 3.79Å; L50-A147 PolarHBondContact N-O 3.46Å; L50-A147 WeakPolarHBondContact O-CB 3.44Å; I142-A147 HydrophobicContact CG2-CB 3.68Å; M143-A147 HydrophobicContact CB-CB 4.46Å; M143-A147 WeakPolarHBondContact O-CB 3.31Å; G144-A147 WeakPolarHBondContact O-CB 3.46Å; G144-A147 PolarHBondContact O-N 3.44Å
148	V	96.3	Very high	96.1	Very high	6 Å²	6	44.2 Å²	44.2	4%	0.036	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	96.2	167.4	178.8	0	0	0	0	107.9	Y47 A48 L49 L120 T125 V129 I142 L146	Y47-V148 HydrophobicContact CD1-CG1 3.69Å; Y47-V148 HydrophobicContact CE1-CG1 4.32Å; Y47-V148 HydrophobicContact CG-CG1 4.07Å; A48-V148 WeakPolarHBondContact O-CA 3.44Å; L49-V148 HydrophobicContact CD2-CB 4.45Å; L49-V148 HydrophobicContact CD2-CG1 4.19Å; L49-V148 HydrophobicContact CD2-CG2 3.84Å; L120-V148 HydrophobicContact CD1-CG1 3.79Å; T125-V148 HydrophobicContact CG2-CB 4.32Å; T125-V148 HydrophobicContact CG2-CG1 3.98Å; V129-V148 HydrophobicContact CG2-CB 4.33Å; V129-V148 HydrophobicContact CG2-CG2 3.6Å; I142-V148 HydrophobicContact CG2-CG2 4.33Å; L146-V148 PolarHBondContact O-N 3.13Å
149	V	95.3	Very high	96.1	Very high	10 Å²	10	47.3 Å²	47.3	6%	0.061	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	123.7	-171.4	-174.7	0	0	0	0	109.8	Y47 A48 L50 L146 T151 K317	Y47-V149 CarbonylContact C-O 3.57Å; Y47-V149 WeakPolarHBondContact CA-O 3.27Å; A48-V149 HydrophobicContact CB-CB 4.32Å; A48-V149 PolarHBondContact N-O 2.8Å; A48-V149 PolarHBondContact O-N 2.98Å; L50-V149 HydrophobicContact CD1-CG2 4.09Å; L146-V149 VanDerWaalsContact O-CG2 3.28Å; L146-V149 WeakPolarHBondContact O-CG2 3.22Å; V149-T151 PolarHBondContact O-N 3.35Å; V149-K317 HydrophobicContact CG1-CB 3.91Å
150	R	95.7	Very high	96.2	Very high	76 Å²	76	49.2 Å²	49.2	29%	0.287	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	128.7	173.2	-179.7	72.1	167.3	-104.5	-6.1	110.1	Y47 E122	Y47-R150 HydrophobicContact CD1-CB 4.37Å; Y47-R150 HydrophobicContact CE1-CB 4.23Å; E122-R150 VanDerWaalsContact CD-NH1 3.31Å; E122-R150 IonicContact OE1-CZ 3.96Å; E122-R150 IonicContact OE1-NH1 3.94Å; E122-R150 PolarHBondContact OE1-NH1 3.18Å; E122-R150 IonicContact OE1-NH2 3.26Å; E122-R150 PolarHBondContact OE1-NH2 3.33Å
151	T	96.8	Very high	96.2	Very high	4 Å²	4	49.6 Å²	49.6	3%	0.025	23%	0.232	C	C	.	.			trans	-122.5	172.3	-178.7	65	0	0	0	0	112.1	K46 A48 V149 F155 Y308 I319	K46-T151 VanDerWaalsContact CG-OG1 3.25Å; K46-T151 WeakPolarHBondContact CG-OG1 3.42Å; K46-T151 PolarHBondContact O-N 3.45Å; K46-T151 PolarHBondContact O-OG1 3Å; A48-T151 HydrophobicContact CB-CG2 3.88Å; V149-T151 PolarHBondContact O-N 3.35Å; T151-F155 HydrophobicContact CG2-CB 4.26Å; T151-F155 HydrophobicContact CG2-CD1 3.65Å; T151-F155 HydrophobicContact CG2-CE1 4.17Å; T151-F155 HydrophobicContact CG2-CG 3.91Å; T151-F155 WeakPolarHBondContact OG1-CB 3.47Å; T151-Y308 WeakPolarHBondContact CA-OH 3.43Å; T151-Y308 VanDerWaalsContact CB-OH 3.27Å; T151-Y308 WeakPolarHBondContact CB-OH 3.29Å; T151-I319 HydrophobicContact CG2-CD1 4.37Å
152	T	97	Very high	96.2	Very high	17 Å²	17	49.3 Å²	49.3	10%	0.104	24%	0.235	C	C	.	.			trans	-60.9	157.6	168.5	70.5	0	0	0	0	110.6	K46 G154 F155 Y308 Y312 H316	K46-T152 WeakPolarHBondContact CB-O 3.15Å; K46-T152 WeakPolarHBondContact CG-O 3.43Å; T152-G154 PolarHBondContact O-N 3.3Å; T152-F155 WeakPolarHBondContact O-CB 3.41Å; T152-F155 PolarHBondContact O-N 3.38Å; T152-F155 PolarHBondContact OG1-N 2.95Å; T152-Y308 HydrophobicContact CG2-CE2 4.25Å; T152-Y308 PolarHBondContact N-OH 2.97Å; T152-Y312 HydrophobicContact CG2-CD1 3.51Å; T152-Y312 HydrophobicContact CG2-CD2 3.89Å; T152-Y312 HydrophobicContact CG2-CE1 3.8Å; T152-Y312 HydrophobicContact CG2-CE2 4.14Å; T152-Y312 HydrophobicContact CG2-CG 3.55Å; T152-H316 PolarHBondContact N-CD2 3.02Å
153	R	96.5	Very high	96.2	Very high	213 Å²	213	49.7 Å²	49.7	80%	0.804	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-29.4	178.3	-64.5	-174.4	-175	-176.5	5.2	113.2
154	G	96.5	Very high	96.3	Very high	57 Å²	57	50.3 Å²	50.3	59%	0.588	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	3.5	-178.3	0	0	0	0	0	114.7	T152 D156 W160	T152-G154 PolarHBondContact O-N 3.3Å; G154-D156 PolarHBondContact O-N 3.47Å; G154-W160 PolarHBondContact O-NE1 2.95Å
155	F	98.3	Very high	96.7	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.009	25%	0.252	C	S	.	.			trans	-61.9	134.3	177.3	178.5	-112.2	0	0	0	111	K46 A48 V113 S115 T151 T152 W160 F305 Y308 I319	K46-F155 WeakPolarHBondContact CE-O 3.4Å; K46-F155 HydrophobicContact CG-CB 4.33Å; K46-F155 PolarHBondContact NZ-O 3.36Å; A48-F155 HydrophobicContact CB-CD1 4.44Å; A48-F155 HydrophobicContact CB-CE1 3.71Å; A48-F155 HydrophobicContact CB-CZ 4.29Å; V113-F155 HydrophobicContact CG1-CZ 4.23Å; S115-F155 VanDerWaalsContact CB-CE1 3.46Å; T151-F155 HydrophobicContact CG2-CB 4.26Å; T151-F155 HydrophobicContact CG2-CD1 3.65Å; T151-F155 HydrophobicContact CG2-CE1 4.17Å; T151-F155 HydrophobicContact CG2-CG 3.91Å; T151-F155 WeakPolarHBondContact OG1-CB 3.47Å; T152-F155 WeakPolarHBondContact O-CB 3.41Å; T152-F155 PolarHBondContact O-N 3.38Å; T152-F155 PolarHBondContact OG1-N 2.95Å; F155-W160 HydrophobicContact CD2-CB 4.11Å; F155-W160 AromaticContact CD2-CD1 3.97Å; F155-W160 HydrophobicContact CD2-CG 4.14Å; F155-W160 HydrophobicContact CE2-CB 3.91Å; F155-W160 HydrophobicContact CE2-CG 4.43Å; F155-F305 AromaticContact CE2-CD1 3.91Å; F155-F305 HydrophobicContact CE2-CD1 3.91Å; F155-F305 AromaticContact CE2-CE1 3.82Å; F155-F305 HydrophobicContact CE2-CE1 3.82Å; F155-F305 HydrophobicContact CZ-CD1 4.25Å; F155-F305 AromaticContact CZ-CE1 3.81Å; F155-F305 HydrophobicContact CZ-CE1 3.81Å; F155-F305 HydrophobicContact CZ-CZ 4.35Å; F155-Y308 HydrophobicContact CB-CE2 4.05Å; F155-Y308 AromaticContact CD2-CD2 3.73Å; F155-Y308 HydrophobicContact CD2-CD2 3.73Å; F155-Y308 AromaticContact CD2-CE2 3.59Å; F155-Y308 HydrophobicContact CD2-CE2 3.59Å; F155-Y308 HydrophobicContact CD2-CG 4.26Å; F155-Y308 HydrophobicContact CE2-CD2 4.35Å; F155-Y308 HydrophobicContact CE2-CG 4.47Å; F155-Y308 HydrophobicContact CG-CE2 4.17Å; F155-I319 HydrophobicContact CD2-CD1 3.89Å; F155-I319 HydrophobicContact CE1-CD1 3.93Å; F155-I319 HydrophobicContact CE2-CD1 3.15Å; F155-I319 HydrophobicContact CZ-CD1 3.18Å
156	D	98.5	Very high	97.2	Very high	30 Å²	30	49.3 Å²	49.3	16%	0.16	23%	0.23	C	C	.	.			trans	-143.2	117	176	172.9	-57	0	0	0	104.9	Q98 G154 K158 K159 W160	Q98-D156 WeakPolarHBondContact CG-OD1 3.33Å; G154-D156 PolarHBondContact O-N 3.47Å; D156-K158 PolarHBondContact O-N 3.39Å; D156-K158 VanDerWaalsContact O-N 3.16Å; D156-K158 WeakPolarHBondContact OD1-CA 3.26Å; D156-K158 WeakPolarHBondContact OD1-CB 3.25Å; D156-K158 PolarHBondContact OD1-N 3.13Å; D156-K159 HydrophobicContact CB-CB 4.07Å; D156-K159 HydrophobicContact CB-CD 4.13Å; D156-K159 HydrophobicContact CB-CG 4.19Å; D156-K159 PolarHBondContact O-N 2.97Å; D156-K159 PolarHBondContact OD1-N 3.47Å; D156-W160 WeakPolarHBondContact O-CB 3.13Å; D156-W160 PolarHBondContact O-N 3.39Å
157	S	98.4	Very high	97.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-19.8	-170.1	56.7	0	0	0	0	113.2	Q98 R99 A100 V113 S115 C161 F305	Q98-S157 VanDerWaalsContact C-OG 3.22Å; Q98-S157 PolarHBondContact O-OG 3.39Å; R99-S157 WeakPolarHBondContact CA-OG 3.12Å; R99-S157 PolarHBondContact N-OG 3.28Å; A100-S157 VanDerWaalsContact CA-O 3.31Å; A100-S157 WeakPolarHBondContact CA-O 3.24Å; A100-S157 WeakPolarHBondContact CB-O 3.4Å; A100-S157 PolarHBondContact N-OG 2.84Å; V113-S157 WeakPolarHBondContact O-CB 3.25Å; V113-S157 PolarHBondContact O-OG 2.73Å; S115-S157 PolarHBondContact N-OG 2.96Å; S115-S157 PolarHBondContact OG-N 2.88Å; S157-C161 WeakPolarHBondContact O-CB 3.14Å; S157-F305 WeakPolarHBondContact O-CE1 3.02Å
158	K	98.1	Very high	97.8	Very high	117 Å²	117	46 Å²	46	51%	0.509	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-48.4	173.8	-178.5	-178.2	176.1	-176.2	0	110.9	Q98 D156 R164	Q98-K158 HydrophobicContact CG-CB 3.59Å; D156-K158 PolarHBondContact O-N 3.39Å; D156-K158 VanDerWaalsContact O-N 3.16Å; D156-K158 WeakPolarHBondContact OD1-CA 3.26Å; D156-K158 WeakPolarHBondContact OD1-CB 3.25Å; D156-K158 PolarHBondContact OD1-N 3.13Å; K158-R164 PolarHBondContact O-NH2 3.21Å
159	K	97.9	Very high	97.8	Very high	172 Å²	172	45.8 Å²	45.8	75%	0.748	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-36.9	-173.2	-66.6	-179	179.3	-174.2	0	113.2	D156 C161	D156-K159 HydrophobicContact CB-CB 4.07Å; D156-K159 HydrophobicContact CB-CD 4.13Å; D156-K159 HydrophobicContact CB-CG 4.19Å; D156-K159 PolarHBondContact O-N 2.97Å; D156-K159 PolarHBondContact OD1-N 3.47Å; K159-C161 VanDerWaalsContact C-N 3.34Å
160	W	98.3	Very high	97.9	Very high	54 Å²	54	45.6 Å²	45.6	21%	0.205	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-2.4	178.8	-80	100.6	0	0	0	113.9	G154 F155 D156 D162 F305 Y308 Y312	G154-W160 PolarHBondContact O-NE1 2.95Å; F155-W160 HydrophobicContact CD2-CB 4.11Å; F155-W160 AromaticContact CD2-CD1 3.97Å; F155-W160 HydrophobicContact CD2-CG 4.14Å; F155-W160 HydrophobicContact CE2-CB 3.91Å; F155-W160 HydrophobicContact CE2-CG 4.43Å; D156-W160 WeakPolarHBondContact O-CB 3.13Å; D156-W160 PolarHBondContact O-N 3.39Å; W160-D162 PolarHBondContact O-N 3.09Å; W160-F305 HydrophobicContact CB-CD1 4.16Å; W160-F305 HydrophobicContact CB-CE1 4.4Å; W160-F305 WeakPolarHBondContact O-CD1 3.19Å; W160-Y308 HydrophobicContact CB-CD2 4.45Å; W160-Y308 AromaticContact CD2-CD2 3.71Å; W160-Y308 HydrophobicContact CD2-CD2 3.71Å; W160-Y308 HydrophobicContact CD2-CG 4.35Å; W160-Y308 HydrophobicContact CE3-CD2 4.03Å; W160-Y308 HydrophobicContact CE3-CG 4.33Å; W160-Y308 AromaticContact CG-CD2 3.92Å; W160-Y308 HydrophobicContact CG-CD2 3.92Å; W160-Y312 AromaticContact CH2-CE2 3.81Å; W160-Y312 HydrophobicContact CH2-CE2 3.81Å; W160-Y312 AromaticContact CZ2-CE2 3.74Å; W160-Y312 HydrophobicContact CZ2-CE2 3.74Å
161	C	98.5	Very high	98	Very high	9 Å²	9	42.1 Å²	42.1	6%	0.061	20%	0.197	C	C	.	.			trans	-86.1	115.1	179.5	175.1	0	0	0	0	109.9	A100 S157 K159 S163 R164 P303 Y304 F305	A100-C161 HydrophobicContact CB-CB 4.36Å; S157-C161 WeakPolarHBondContact O-CB 3.14Å; K159-C161 VanDerWaalsContact C-N 3.34Å; C161-S163 PolarHBondContact SG-O 3.47Å; C161-R164 VanDerWaalsContact CB-NH2 3.26Å; C161-R164 PolarHBondContact O-NH1 2.85Å; C161-R164 PolarHBondContact SG-NE 3.01Å; C161-R164 VanDerWaalsContact SG-NE 3.41Å; C161-R164 PolarHBondContact SG-NH2 3.28Å; C161-R164 VanDerWaalsContact SG-NH2 3.42Å; C161-P303 VanDerWaalsContact SG-CB 3.55Å; C161-Y304 CarbonylContact C-O 3.53Å; C161-Y304 VanDerWaalsContact CA-O 3.31Å; C161-Y304 WeakPolarHBondContact CA-O 3.2Å; C161-F305 HydrophobicContact CB-CD1 4.25Å; C161-F305 HydrophobicContact CB-CE1 3.61Å; C161-F305 HydrophobicContact CB-CZ 3.79Å
162	D	98.4	Very high	98	Very high	48 Å²	48	42 Å²	42	26%	0.257	20%	0.196	S	C	.	.			trans	-74.6	-44.1	-172.2	-56.8	-55.6	0	0	0	111.4	W160 Y304 F305 A306 C307	W160-D162 PolarHBondContact O-N 3.09Å; D162-Y304 PolarHBondContact N-O 3.17Å; D162-F305 WeakPolarHBondContact OD2-CA 3.23Å; D162-A306 PolarHBondContact OD2-N 3.46Å; D162-C307 VanDerWaalsContact OD1-CB 3.3Å; D162-C307 WeakPolarHBondContact OD1-CB 3.33Å; D162-C307 PolarHBondContact OD1-SG 3.1Å; D162-C307 PolarHBondContact OD2-N 3.49Å
163	S	98.6	Very high	97.9	Very high	9 Å²	9	43 Å²	43	6%	0.063	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	166.5	179.4	61.9	0	0	0	0	111	C161 G251 Y304	C161-S163 PolarHBondContact SG-O 3.47Å; S163-G251 CarbonylContact C-O 3.52Å; S163-G251 VanDerWaalsContact CA-O 3.29Å; S163-G251 WeakPolarHBondContact CA-O 3.22Å; S163-G251 VanDerWaalsContact CB-O 3.32Å; S163-G251 WeakPolarHBondContact CB-O 3.32Å; S163-Y304 PolarHBondContact O-N 3.41Å; S163-Y304 VanDerWaalsContact OG-CD2 3.3Å; S163-Y304 WeakPolarHBondContact OG-CD2 3.39Å
164	R	98.7	Very high	97.9	Very high	22 Å²	22	33.9 Å²	33.9	8%	0.083	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	140.3	174.2	-59.2	87	175.4	136.6	7.9	108.9	A100 A101 K158 C161 Y166 K250 G251 Q252 F254 L300 E302 P303	A100-R164 PolarHBondContact O-NE 2.97Å; A100-R164 PolarHBondContact O-NH2 2.9Å; A101-R164 HydrophobicContact CB-CG 4.38Å; K158-R164 PolarHBondContact O-NH2 3.21Å; C161-R164 VanDerWaalsContact CB-NH2 3.26Å; C161-R164 PolarHBondContact O-NH1 2.85Å; C161-R164 PolarHBondContact SG-NE 3.01Å; C161-R164 VanDerWaalsContact SG-NE 3.41Å; C161-R164 PolarHBondContact SG-NH2 3.28Å; C161-R164 VanDerWaalsContact SG-NH2 3.42Å; R164-Y166 HydrophobicContact CB-CD2 4.18Å; R164-Y166 HydrophobicContact CB-CE2 3.83Å; R164-K250 WeakPolarHBondContact O-CA 3.45Å; R164-G251 PolarHBondContact N-O 2.94Å; R164-G251 PolarHBondContact O-N 2.82Å; R164-Q252 PolarHBondContact NH1-O 2.9Å; R164-F254 HydrophobicContact CB-CE2 4.21Å; R164-L300 HydrophobicContact CB-CD1 4.19Å; R164-E302 CarbonylContact C-O 3.59Å; R164-E302 WeakPolarHBondContact CA-O 3.33Å; R164-P303 HydrophobicContact CG-CB 4.29Å
165	R	98.8	Very high	97.9	Very high	91 Å²	91	31.2 Å²	31.2	34%	0.343	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	130.6	166.3	-175.6	152.7	50.1	133.2	5.3	109.5	F249 E301 E302 Y304	R165-F249 CarbonylContact C-O 3.51Å; R165-F249 VanDerWaalsContact CA-O 3.26Å; R165-F249 WeakPolarHBondContact CA-O 3.41Å; R165-E301 HydrophobicContact CB-CB 4.24Å; R165-E301 HydrophobicContact CG-CB 4.04Å; R165-E301 HydrophobicContact CG-CG 4.41Å; R165-E301 WeakPolarHBondContact O-CB 3.24Å; R165-E301 PolarHBondContact O-N 2.82Å; R165-E302 PolarHBondContact N-O 3.49Å; R165-E302 IonicContact NH2-OE2 3.94Å; R165-E302 PolarHBondContact O-N 2.86Å; R165-Y304 HydrophobicContact CB-CE2 3.9Å; R165-Y304 VanDerWaalsContact CZ-OH 3.27Å; R165-Y304 PolarHBondContact NE-OH 2.97Å; R165-Y304 PolarHBondContact NH2-OH 2.91Å
166	Y	98.9	Very high	97.9	Very high	18 Å²	18	31.1 Å²	31.1	7%	0.071	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	155	170.9	-77.8	-97.6	0	0	0	108.5	A101 R102 R164 F249 F254 I259 L298 L299 L300	A101-Y166 WeakPolarHBondContact CB-OH 3.41Å; R102-Y166 PolarHBondContact O-OH 3.36Å; R164-Y166 HydrophobicContact CB-CD2 4.18Å; R164-Y166 HydrophobicContact CB-CE2 3.83Å; Y166-F249 PolarHBondContact N-O 3.09Å; Y166-F249 PolarHBondContact O-N 2.71Å; Y166-F254 AromaticContact CD2-CD2 3.92Å; Y166-F254 HydrophobicContact CD2-CD2 3.92Å; Y166-F254 AromaticContact CD2-CE2 3.69Å; Y166-F254 HydrophobicContact CD2-CE2 3.69Å; Y166-F254 HydrophobicContact CD2-CZ 4.3Å; Y166-F254 AromaticContact CE2-CD2 3.78Å; Y166-F254 HydrophobicContact CE2-CD2 3.78Å; Y166-F254 AromaticContact CE2-CE2 3.97Å; Y166-F254 HydrophobicContact CE2-CE2 3.97Å; Y166-I259 VanDerWaalsContact CB-CD1 3.48Å; Y166-I259 HydrophobicContact CD1-CD1 4.03Å; Y166-I259 HydrophobicContact CD2-CD1 3.7Å; Y166-I259 HydrophobicContact CE2-CD1 4.42Å; Y166-I259 HydrophobicContact CG-CD1 3.46Å; Y166-I259 VanDerWaalsContact CG-CD1 3.46Å; Y166-L298 HydrophobicContact CD1-CD1 3.86Å; Y166-L298 HydrophobicContact CD1-CG 4.22Å; Y166-L298 HydrophobicContact CG-CD1 4.45Å; Y166-L299 CarbonylContact C-O 3.58Å; Y166-L299 WeakPolarHBondContact CA-O 3.35Å; Y166-L299 WeakPolarHBondContact CB-O 3.44Å; Y166-L299 VanDerWaalsContact CD1-O 3.29Å; Y166-L299 WeakPolarHBondContact CD1-O 3.32Å; Y166-L300 HydrophobicContact CD1-CB 4.11Å; Y166-L300 HydrophobicContact CD1-CD1 4.44Å; Y166-L300 HydrophobicContact CD2-CD1 4.13Å; Y166-L300 HydrophobicContact CE1-CB 3.72Å; Y166-L300 HydrophobicContact CE1-CD1 4.01Å; Y166-L300 HydrophobicContact CE1-CG 4.46Å; Y166-L300 HydrophobicContact CE2-CD1 3.66Å; Y166-L300 HydrophobicContact CG-CD1 4.5Å
167	S	98.7	Very high	97.7	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.007	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	152.5	164.9	58.2	0	0	0	0	110	V247 L299 E301	S167-V247 CarbonylContact C-O 3.57Å; S167-V247 WeakPolarHBondContact CA-O 3.23Å; S167-L299 PolarHBondContact N-O 3.27Å; S167-L299 PolarHBondContact O-N 3.05Å; S167-E301 VanDerWaalsContact CB-OE1 3.32Å; S167-E301 WeakPolarHBondContact CB-OE1 3.4Å; S167-E301 WeakPolarHBondContact OG-CG 3.46Å; S167-E301 PolarHBondContact OG-OE1 3.14Å
168	Y	98.7	Very high	97.4	Very high	9 Å²	9	34.6 Å²	34.6	4%	0.035	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	116.8	169.3	-164.3	-84.3	0	0	0	108.8	L170 I246 V247 I263 A293 P294 G297 L298	Y168-L170 HydrophobicContact CD1-CB 4.16Å; Y168-L170 HydrophobicContact CD1-CD1 4.2Å; Y168-L170 HydrophobicContact CD1-CD2 4.17Å; Y168-L170 HydrophobicContact CD1-CG 4.42Å; Y168-L170 HydrophobicContact CE1-CB 3.87Å; Y168-L170 HydrophobicContact CE1-CD1 4.06Å; Y168-L170 HydrophobicContact CE1-CG 4.43Å; Y168-I246 WeakPolarHBondContact O-CA 3.37Å; Y168-V247 PolarHBondContact N-O 2.96Å; Y168-V247 PolarHBondContact O-N 3.3Å; Y168-I263 HydrophobicContact CD1-CD1 4.14Å; Y168-I263 HydrophobicContact CD1-CG1 4.06Å; Y168-I263 HydrophobicContact CD1-CG2 3.89Å; Y168-I263 HydrophobicContact CD2-CG1 4.12Å; Y168-I263 HydrophobicContact CE1-CG2 3.82Å; Y168-I263 HydrophobicContact CG-CD1 4.06Å; Y168-I263 HydrophobicContact CG-CG1 3.76Å; Y168-I263 HydrophobicContact CG-CG2 4.39Å; Y168-A293 HydrophobicContact CE1-CB 4.38Å; Y168-A293 HydrophobicContact CE2-CB 4.11Å; Y168-A293 WeakPolarHBondContact OH-CB 3.26Å; Y168-P294 WeakPolarHBondContact CE2-O 3.31Å; Y168-P294 WeakPolarHBondContact OH-CD 3.33Å; Y168-P294 PolarHBondContact OH-O 3.16Å; Y168-G297 CarbonylContact C-O 3.49Å; Y168-G297 VanDerWaalsContact CA-O 3.25Å; Y168-G297 WeakPolarHBondContact CA-O 3.26Å; Y168-L298 HydrophobicContact CD2-CB 3.9Å; Y168-L298 HydrophobicContact CD2-CD1 4.21Å; Y168-L298 HydrophobicContact CE2-CB 4.15Å
169	V	98.1	Very high	97	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.012	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	133	179.7	176.2	0	0	0	0	109.1	L236 Y244 L245 I246 G297 I337 M340	V169-L236 HydrophobicContact CG1-CD2 3.66Å; V169-L236 HydrophobicContact CG2-CD2 4.21Å; V169-Y244 HydrophobicContact CG1-CD1 3.73Å; V169-Y244 HydrophobicContact CG1-CE1 4.4Å; V169-L245 WeakPolarHBondContact CA-O 3.42Å; V169-I246 HydrophobicContact CG2-CB 4.35Å; V169-I246 HydrophobicContact CG2-CD1 4.07Å; V169-I246 HydrophobicContact CG2-CG1 4.01Å; V169-G297 PolarHBondContact N-O 2.99Å; V169-G297 WeakPolarHBondContact O-CA 3.26Å; V169-I337 HydrophobicContact CG2-CD1 3.82Å; V169-M340 HydrophobicContact CB-SD 4.23Å
170	L	97.5	Very high	96.6	Very high	6 Å²	6	34.7 Å²	34.7	3%	0.031	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	153.8	-177.9	72.6	179.9	0	0	0	112.2	Y168 C174 F175 Y244 L245 V247 I263 I267	Y168-L170 HydrophobicContact CD1-CB 4.16Å; Y168-L170 HydrophobicContact CD1-CD1 4.2Å; Y168-L170 HydrophobicContact CD1-CD2 4.17Å; Y168-L170 HydrophobicContact CD1-CG 4.42Å; Y168-L170 HydrophobicContact CE1-CB 3.87Å; Y168-L170 HydrophobicContact CE1-CD1 4.06Å; Y168-L170 HydrophobicContact CE1-CG 4.43Å; L170-C174 HydrophobicContact CD1-CB 4.07Å; L170-F175 HydrophobicContact CD1-CE2 3.76Å; L170-F175 HydrophobicContact CD1-CZ 4.18Å; L170-F175 HydrophobicContact CD2-CE2 4.32Å; L170-F175 HydrophobicContact CG-CE2 4.28Å; L170-Y244 WeakPolarHBondContact O-CA 3.15Å; L170-Y244 WeakPolarHBondContact O-CD1 3.46Å; L170-L245 HydrophobicContact CD2-CB 3.86Å; L170-L245 PolarHBondContact N-O 3.05Å; L170-L245 VanDerWaalsContact N-O 3.15Å; L170-L245 PolarHBondContact O-N 3.17Å; L170-V247 HydrophobicContact CD2-CG2 4.18Å; L170-I263 HydrophobicContact CD1-CG2 4.35Å; L170-I267 HydrophobicContact CD1-CD1 3.84Å; L170-I267 HydrophobicContact CD1-CG1 4.44Å
171	P	96.4	Very high	96.3	Very high	4 Å²	4	39.1 Å²	39.1	3%	0.026	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	142.7	170.7	-20.8	30.6	0	0	0	112.4	F173 C174 Y244	P171-F173 HydrophobicContact CB-CD1 3.34Å; P171-F173 HydrophobicContact CB-CE1 3.12Å; P171-F173 HydrophobicContact CB-CG 4.17Å; P171-F173 HydrophobicContact CB-CZ 3.78Å; P171-F173 HydrophobicContact CG-CD1 4.3Å; P171-F173 HydrophobicContact CG-CE1 3.58Å; P171-F173 HydrophobicContact CG-CZ 3.89Å; P171-F173 PolarHBondContact O-N 3.39Å; P171-C174 VanDerWaalsContact O-CB 3.27Å; P171-C174 WeakPolarHBondContact O-CB 3.33Å; P171-C174 PolarHBondContact O-N 2.84Å; P171-C174 VanDerWaalsContact O-N 3.14Å; P171-C174 PolarHBondContact O-SG 3.42Å; P171-C174 VanDerWaalsContact O-SG 3.34Å; P171-Y244 HydrophobicContact CB-CE1 4.49Å; P171-Y244 HydrophobicContact CG-CE1 3.82Å; P171-Y244 HydrophobicContact CG-CE2 4.42Å
172	A	97	Very high	96	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-60.1	-35.3	177.9	0	0	0	0	0	112.5	C174 F175 Y187 L189 E243 L245	A172-C174 PolarHBondContact O-N 3.02Å; A172-F175 PolarHBondContact O-N 2.89Å; A172-Y187 HydrophobicContact CB-CD1 4.16Å; A172-Y187 HydrophobicContact CB-CE1 4.42Å; A172-L189 HydrophobicContact CB-CB 4.21Å; A172-E243 HydrophobicContact CB-CB 3.81Å; A172-E243 HydrophobicContact CB-CG 3.84Å; A172-E243 WeakPolarHBondContact CB-O 3.49Å; A172-E243 PolarHBondContact N-O 2.96Å; A172-L245 HydrophobicContact CB-CD1 4.44Å; A172-L245 HydrophobicContact CB-CG 4.22Å
173	F	95.4	Very high	95.7	Very high	38 Å²	38	43.9 Å²	43.9	17%	0.167	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-61.4	-17.5	179.2	76.7	-106.2	0	0	0	113.4	P171 F175 A176 Y182 P184 Y187 R271	P171-F173 HydrophobicContact CB-CD1 3.34Å; P171-F173 HydrophobicContact CB-CE1 3.12Å; P171-F173 HydrophobicContact CB-CG 4.17Å; P171-F173 HydrophobicContact CB-CZ 3.78Å; P171-F173 HydrophobicContact CG-CD1 4.3Å; P171-F173 HydrophobicContact CG-CE1 3.58Å; P171-F173 HydrophobicContact CG-CZ 3.89Å; P171-F173 PolarHBondContact O-N 3.39Å; F173-F175 PolarHBondContact O-N 3.19Å; F173-F175 VanDerWaalsContact O-N 3.14Å; F173-A176 VanDerWaalsContact O-CB 3.26Å; F173-A176 WeakPolarHBondContact O-CB 3.29Å; F173-A176 PolarHBondContact O-N 2.88Å; F173-Y182 HydrophobicContact CB-CD2 3.97Å; F173-Y182 HydrophobicContact CB-CE2 3.76Å; F173-Y182 AromaticContact CD2-CE2 3.9Å; F173-Y182 HydrophobicContact CD2-CE2 3.9Å; F173-Y182 HydrophobicContact CG-CE2 4.13Å; F173-P184 HydrophobicContact CD1-CB 3.78Å; F173-P184 WeakPolarHBondContact CD1-O 3.07Å; F173-P184 HydrophobicContact CD2-CB 4.46Å; F173-P184 HydrophobicContact CE1-CB 3.92Å; F173-P184 HydrophobicContact CG-CB 4.09Å; F173-P184 HydrophobicContact CZ-CB 4.38Å; F173-Y187 HydrophobicContact CB-CD1 3.85Å; F173-Y187 HydrophobicContact CB-CG 3.99Å; F173-R271 PolarHBondContact O-NH1 2.97Å
174	C	96	Very high	95.3	Very high	22 Å²	22	46 Å²	46	15%	0.149	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-55.9	-29.7	172.2	-67	0	0	0	0	111.4	L170 P171 A172 I267 R271	L170-C174 HydrophobicContact CD1-CB 4.07Å; P171-C174 VanDerWaalsContact O-CB 3.27Å; P171-C174 WeakPolarHBondContact O-CB 3.33Å; P171-C174 PolarHBondContact O-N 2.84Å; P171-C174 VanDerWaalsContact O-N 3.14Å; P171-C174 PolarHBondContact O-SG 3.42Å; P171-C174 VanDerWaalsContact O-SG 3.34Å; A172-C174 PolarHBondContact O-N 3.02Å; C174-I267 HydrophobicContact CB-CD1 4.39Å; C174-I267 WeakPolarHBondContact O-CG2 3.45Å; C174-R271 VanDerWaalsContact O-CD 3.22Å; C174-R271 WeakPolarHBondContact O-CD 3.47Å; C174-R271 WeakPolarHBondContact O-CG 3.49Å; C174-R271 PolarHBondContact O-NH1 3.43Å
175	F	97.7	Very high	95	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.009	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-92.7	0.2	177.5	-68.7	-72.7	0	0	0	114.6	L170 A172 F173 L189 I197 L245 I267 I270	L170-F175 HydrophobicContact CD1-CE2 3.76Å; L170-F175 HydrophobicContact CD1-CZ 4.18Å; L170-F175 HydrophobicContact CD2-CE2 4.32Å; L170-F175 HydrophobicContact CG-CE2 4.28Å; A172-F175 PolarHBondContact O-N 2.89Å; F173-F175 PolarHBondContact O-N 3.19Å; F173-F175 VanDerWaalsContact O-N 3.14Å; F175-L189 HydrophobicContact CB-CD1 3.89Å; F175-I197 HydrophobicContact CB-CD1 4.09Å; F175-I197 HydrophobicContact CD1-CD1 3.81Å; F175-I197 HydrophobicContact CD1-CG1 3.96Å; F175-I197 HydrophobicContact CD2-CD1 3.68Å; F175-I197 HydrophobicContact CE1-CD1 4.08Å; F175-I197 HydrophobicContact CE1-CG1 4.02Å; F175-I197 HydrophobicContact CE2-CD1 3.95Å; F175-I197 HydrophobicContact CG-CD1 3.59Å; F175-I197 HydrophobicContact CG-CG1 4.26Å; F175-I197 HydrophobicContact CZ-CD1 4.14Å; F175-I197 HydrophobicContact CZ-CG1 4.38Å; F175-I197 HydrophobicContact CZ-CG2 4.32Å; F175-L245 HydrophobicContact CD2-CD1 3.57Å; F175-L245 HydrophobicContact CE2-CD1 3.75Å; F175-I267 HydrophobicContact CD1-CB 4.49Å; F175-I267 HydrophobicContact CD1-CG1 4.02Å; F175-I267 HydrophobicContact CE1-CB 4.21Å; F175-I267 HydrophobicContact CE1-CG1 3.49Å; F175-I267 VanDerWaalsContact CE1-CG1 3.49Å; F175-I267 HydrophobicContact CE2-CG1 4.5Å; F175-I267 HydrophobicContact CZ-CG1 3.78Å; F175-I270 HydrophobicContact CB-CG2 3.93Å; F175-I270 HydrophobicContact CD1-CB 3.8Å; F175-I270 HydrophobicContact CD1-CG1 4.09Å; F175-I270 HydrophobicContact CD1-CG2 3.78Å; F175-I270 HydrophobicContact CE1-CB 4.48Å; F175-I270 HydrophobicContact CE1-CG1 4.34Å; F175-I270 HydrophobicContact CG-CG2 4.29Å
176	A	96.7	Very high	94.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.266	C	S	.	.			trans	-59.3	130.6	-179.8	0	0	0	0	0	111.9	F173 Y182 Y187 R271	F173-A176 VanDerWaalsContact O-CB 3.26Å; F173-A176 WeakPolarHBondContact O-CB 3.29Å; F173-A176 PolarHBondContact O-N 2.88Å; A176-Y182 HydrophobicContact CB-CD1 3.41Å; A176-Y182 VanDerWaalsContact CB-CD1 3.41Å; A176-Y182 HydrophobicContact CB-CD2 4.19Å; A176-Y182 HydrophobicContact CB-CE1 3.37Å; A176-Y182 HydrophobicContact CB-CE2 4.16Å; A176-Y182 HydrophobicContact CB-CG 3.83Å; A176-Y187 WeakPolarHBondContact CA-OH 3.32Å; A176-Y187 HydrophobicContact CB-CD2 4.17Å; A176-Y187 HydrophobicContact CB-CE1 4.16Å; A176-Y187 HydrophobicContact CB-CE2 3.64Å; A176-R271 WeakPolarHBondContact O-CG 2.95Å; A176-R271 PolarHBondContact O-NH1 2.65Å
177	P	95.7	Very high	94.6	Very high	32 Å²	32	50.5 Å²	50.5	21%	0.208	27%	0.267	C	S	.	.			trans	-56.4	143.3	-179.4	-27.3	36.2	0	0	0	113	Q179 E180	P177-Q179 PolarHBondContact O-N 3.07Å; P177-Q179 VanDerWaalsContact O-N 3.16Å; P177-E180 HydrophobicContact CB-CB 4.46Å; P177-E180 HydrophobicContact CB-CG 4.09Å; P177-E180 HydrophobicContact CG-CG 4.4Å; P177-E180 PolarHBondContact O-N 3.23Å; P177-E180 VanDerWaalsContact O-N 3.13Å
178	L	91.9	Very high	94.4	Very high	70 Å²	70	56.5 Å²	56.5	37%	0.366	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-29	-176.3	-78	164.2	0	0	0	114.9	E180 R271 H273	L178-E180 VanDerWaalsContact C-N 3.32Å; L178-R271 WeakPolarHBondContact CB-O 3.37Å; L178-R271 WeakPolarHBondContact CD1-O 3.39Å; L178-R271 HydrophobicContact CG-CB 4.24Å; L178-R271 VanDerWaalsContact CG-O 3.24Å; L178-R271 WeakPolarHBondContact CG-O 3.3Å; L178-R271 PolarHBondContact N-O 2.88Å; L178-H273 HydrophobicContact CD1-CB 4.37Å; L178-H273 WeakPolarHBondContact CD1-ND1 3.27Å; L178-H273 WeakPolarHBondContact CD2-CE1 3.39Å; L178-H273 WeakPolarHBondContact CD2-NE2 3.38Å
179	Q	90	Very high	94.4	Very high	186 Å²	186	56.3 Å²	56.3	87%	0.869	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-5.2	-175.9	-55.6	-62.2	-13.8	0	0	112.4	P177	P177-Q179 PolarHBondContact O-N 3.07Å; P177-Q179 VanDerWaalsContact O-N 3.16Å
180	E	89.7	Confident	94.3	Very high	106 Å²	106	58.8 Å²	58.8	50%	0.495	31%	0.31	S	S	.	.	S	Bend	trans	-98.1	135	-178.3	-69.5	179.8	-163.7	0	0	111	P177 L178 Y182	P177-E180 HydrophobicContact CB-CB 4.46Å; P177-E180 HydrophobicContact CB-CG 4.09Å; P177-E180 HydrophobicContact CG-CG 4.4Å; P177-E180 PolarHBondContact O-N 3.23Å; P177-E180 VanDerWaalsContact O-N 3.13Å; L178-E180 VanDerWaalsContact C-N 3.32Å; E180-Y182 WeakPolarHBondContact O-CD1 3.44Å
181	T	91.9	Very high	94.4	Very high	147 Å²	147	62.9 Å²	62.9	90%	0.902	33%	0.332	S	S	*	.			trans	-81.4	126.3	165.4	53.7	0	0	0	0	108.8
182	Y	90.6	Very high	94.4	Very high	74 Å²	74	69.2 Å²	69.2	29%	0.29	36%	0.362	S	S	.	.			trans	-136.6	154.3	178.4	59.6	-89.2	0	0	0	111.3	F173 A176 E180 P184 Y187 R271	F173-Y182 HydrophobicContact CB-CD2 3.97Å; F173-Y182 HydrophobicContact CB-CE2 3.76Å; F173-Y182 AromaticContact CD2-CE2 3.9Å; F173-Y182 HydrophobicContact CD2-CE2 3.9Å; F173-Y182 HydrophobicContact CG-CE2 4.13Å; A176-Y182 HydrophobicContact CB-CD1 3.41Å; A176-Y182 VanDerWaalsContact CB-CD1 3.41Å; A176-Y182 HydrophobicContact CB-CD2 4.19Å; A176-Y182 HydrophobicContact CB-CE1 3.37Å; A176-Y182 HydrophobicContact CB-CE2 4.16Å; A176-Y182 HydrophobicContact CB-CG 3.83Å; E180-Y182 WeakPolarHBondContact O-CD1 3.44Å; Y182-P184 HydrophobicContact CD2-CG 4.39Å; Y182-P184 HydrophobicContact CE2-CG 4.22Å; Y182-Y187 HydrophobicContact CD2-CD2 4.49Å; Y182-Y187 HydrophobicContact CG-CD2 4.16Å; Y182-R271 PolarHBondContact OH-NH1 3.34Å; Y182-R271 PolarHBondContact OH-NH2 3.46Å
183	D	92.9	Very high	94.5	Very high	82 Å²	82	70.4 Å²	70.4	44%	0.439	37%	0.37	S	S	.	.			trans	-94.7	117.5	166.8	-176.2	-14.4	0	0	0	108.8	D185 T186 Y187	D183-D185 PolarHBondContact O-N 2.99Å; D183-D185 VanDerWaalsContact O-N 3.12Å; D183-D185 PolarHBondContact OD1-N 2.85Å; D183-T186 PolarHBondContact O-N 2.86Å; D183-Y187 VanDerWaalsContact O-CB 3.32Å; D183-Y187 WeakPolarHBondContact O-CB 3.48Å; D183-Y187 PolarHBondContact O-N 3.06Å
184	P	91.1	Very high	94.6	Very high	54 Å²	54	69.6 Å²	69.6	35%	0.351	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-27.3	177.6	-26.3	35.1	0	0	0	114.5	F173 Y182	F173-P184 HydrophobicContact CD1-CB 3.78Å; F173-P184 WeakPolarHBondContact CD1-O 3.07Å; F173-P184 HydrophobicContact CD2-CB 4.46Å; F173-P184 HydrophobicContact CE1-CB 3.92Å; F173-P184 HydrophobicContact CG-CB 4.09Å; F173-P184 HydrophobicContact CZ-CB 4.38Å; Y182-P184 HydrophobicContact CD2-CG 4.39Å; Y182-P184 HydrophobicContact CE2-CG 4.22Å
185	D	91	Very high	94.8	Very high	112 Å²	112	75.2 Å²	75.2	60%	0.599	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-22.8	-176.4	-72	-40.7	0	0	0	113.4	D183	D183-D185 PolarHBondContact O-N 2.99Å; D183-D185 VanDerWaalsContact O-N 3.12Å; D183-D185 PolarHBondContact OD1-N 2.85Å
186	T	93.8	Very high	94.8	Very high	92 Å²	92	78.9 Å²	78.9	56%	0.564	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.4	4.8	-176.2	72.1	0	0	0	0	114	D183 H188	D183-T186 PolarHBondContact O-N 2.86Å; T186-H188 PolarHBondContact O-CD2 2.66Å; T186-H188 VanDerWaalsContact O-CD2 3.28Å; T186-H188 PolarHBondContact O-N 3.43Å
187	Y	94.9	Very high	94.9	Very high	22 Å²	22	78.9 Å²	78.9	9%	0.086	41%	0.408	C	S	.	.			trans	-66.2	129.8	178.4	-179.1	-93.6	0	0	0	111	A172 F173 A176 Y182 D183 L189	A172-Y187 HydrophobicContact CB-CD1 4.16Å; A172-Y187 HydrophobicContact CB-CE1 4.42Å; F173-Y187 HydrophobicContact CB-CD1 3.85Å; F173-Y187 HydrophobicContact CB-CG 3.99Å; A176-Y187 WeakPolarHBondContact CA-OH 3.32Å; A176-Y187 HydrophobicContact CB-CD2 4.17Å; A176-Y187 HydrophobicContact CB-CE1 4.16Å; A176-Y187 HydrophobicContact CB-CE2 3.64Å; Y182-Y187 HydrophobicContact CD2-CD2 4.49Å; Y182-Y187 HydrophobicContact CG-CD2 4.16Å; D183-Y187 VanDerWaalsContact O-CB 3.32Å; D183-Y187 WeakPolarHBondContact O-CB 3.48Å; D183-Y187 PolarHBondContact O-N 3.06Å; Y187-L189 HydrophobicContact CE1-CB 4.34Å; Y187-L189 HydrophobicContact CE1-CD1 4.22Å
188	H	96.3	Very high	95	Very high	127 Å²	127	79.2 Å²	79.2	59%	0.588	41%	0.408	S	S	*	.			trans	-116.1	130.1	173.1	-72.7	-70.6	0	0	0	109	T186 P190 E243	T186-H188 PolarHBondContact O-CD2 2.66Å; T186-H188 VanDerWaalsContact O-CD2 3.28Å; T186-H188 PolarHBondContact O-N 3.43Å; H188-P190 WeakPolarHBondContact O-CD 3.43Å; H188-E243 IonicContact CE1-OE2 3.73Å; H188-E243 IonicContact CG-OE2 2.71Å; H188-E243 IonicContact ND1-OE2 2.87Å; H188-E243 PolarHBondContact ND1-OE2 3.31Å
189	L	97.4	Very high	95.3	Very high	4 Å²	4	80.9 Å²	80.9	2%	0.021	41%	0.41	C	S	.	.			trans	-73.5	125.8	178	-173	79.4	0	0	0	109.3	A172 F175 Y187 L194 I197 R235 E243 L245	A172-L189 HydrophobicContact CB-CB 4.21Å; F175-L189 HydrophobicContact CB-CD1 3.89Å; Y187-L189 HydrophobicContact CE1-CB 4.34Å; Y187-L189 HydrophobicContact CE1-CD1 4.22Å; L189-L194 HydrophobicContact CD2-CB 3.76Å; L189-L194 HydrophobicContact CD2-CD1 4.13Å; L189-I197 HydrophobicContact CD1-CD1 4.27Å; L189-I197 HydrophobicContact CD2-CD1 3.61Å; L189-R235 PolarHBondContact O-NH2 3.07Å; L189-E243 WeakPolarHBondContact CB-OE1 3.22Å; L189-E243 PolarHBondContact N-OE1 3.45Å; L189-L245 HydrophobicContact CD2-CD1 3.82Å; L189-L245 HydrophobicContact CD2-CD2 4.31Å
190	P	97.2	Very high	95.7	Very high	55 Å²	55	72 Å²	72	36%	0.357	37%	0.368	S	S	.	.			trans	-57.7	147.2	171.3	-23	34	0	0	0	111.8	H188 E192 S193 L194	H188-P190 WeakPolarHBondContact O-CD 3.43Å; P190-E192 VanDerWaalsContact C-N 3.26Å; P190-E192 PolarHBondContact O-N 3.42Å; P190-S193 WeakPolarHBondContact O-CB 3.38Å; P190-S193 PolarHBondContact O-N 2.87Å; P190-S193 VanDerWaalsContact O-N 3.11Å; P190-L194 PolarHBondContact O-N 2.87Å
191	D	98.3	Very high	96.2	Very high	92 Å²	92	67 Å²	67	49%	0.492	35%	0.345	S	S	.	.	H	α-helix	trans	-61.7	-36.8	179.2	-77.2	-27.6	0	0	0	111.6	S193 L194 E195 R235	D191-S193 VanDerWaalsContact C-N 3.29Å; D191-S193 PolarHBondContact O-N 3.47Å; D191-L194 WeakPolarHBondContact O-CB 3.39Å; D191-L194 PolarHBondContact O-N 2.96Å; D191-L194 VanDerWaalsContact O-N 3.09Å; D191-E195 WeakPolarHBondContact O-CG 3.46Å; D191-E195 PolarHBondContact O-N 2.76Å; D191-R235 IonicContact OD1-CZ 2.58Å; D191-R235 IonicContact OD1-NH1 2.67Å; D191-R235 PolarHBondContact OD1-NH1 2.63Å; D191-R235 IonicContact OD1-NH2 2.84Å; D191-R235 PolarHBondContact OD1-NH2 3.44Å
192	E	97.9	Very high	96.5	Very high	137 Å²	137	64.5 Å²	64.5	64%	0.64	32%	0.323	S	S	*	.	H	α-helix	trans	-62.6	-37.3	175.9	-58.5	84.5	174.1	0	0	111.7	P190 E195 E196	P190-E192 VanDerWaalsContact C-N 3.26Å; P190-E192 PolarHBondContact O-N 3.42Å; E192-E195 PolarHBondContact O-N 3.47Å; E192-E196 WeakPolarHBondContact O-CB 3.3Å; E192-E196 PolarHBondContact O-N 2.77Å
193	S	97.8	Very high	96.8	Very high	24 Å²	24	64.3 Å²	64.3	17%	0.168	32%	0.322	C	S	.	.	H	α-helix	trans	-69.1	-35	174.8	-57.1	0	0	0	0	111.6	P190 D191 E196 I197	P190-S193 WeakPolarHBondContact O-CB 3.38Å; P190-S193 PolarHBondContact O-N 2.87Å; P190-S193 VanDerWaalsContact O-N 3.11Å; D191-S193 VanDerWaalsContact C-N 3.29Å; D191-S193 PolarHBondContact O-N 3.47Å; S193-E196 PolarHBondContact O-N 2.55Å; S193-I197 VanDerWaalsContact O-CG1 3.25Å; S193-I197 WeakPolarHBondContact O-CG1 3.1Å; S193-I197 PolarHBondContact O-N 2.86Å
194	L	98.7	Very high	97.1	Very high	22 Å²	22	60.4 Å²	60.4	12%	0.115	30%	0.301	C	S	.	.	H	α-helix	trans	-66.4	-40.1	174	-177.8	59.6	0	0	0	111.9	L189 P190 D191 E196 I197 N198 C233 R235	L189-L194 HydrophobicContact CD2-CB 3.76Å; L189-L194 HydrophobicContact CD2-CD1 4.13Å; P190-L194 PolarHBondContact O-N 2.87Å; D191-L194 WeakPolarHBondContact O-CB 3.39Å; D191-L194 PolarHBondContact O-N 2.96Å; D191-L194 VanDerWaalsContact O-N 3.09Å; L194-E196 VanDerWaalsContact C-N 3.34Å; L194-I197 PolarHBondContact O-N 3.27Å; L194-N198 PolarHBondContact O-N 3.08Å; L194-N198 PolarHBondContact O-ND2 3.06Å; L194-C233 HydrophobicContact CD1-CB 4.22Å; L194-R235 HydrophobicContact CD2-CG 4.45Å
195	E	98.6	Very high	97.5	Very high	139 Å²	139	60 Å²	60	65%	0.65	30%	0.298	S	S	*	.	H	α-helix	trans	-61.9	-43.5	172.3	-70.5	179	178.5	0	0	111.1	D191 E192 N198 R199	D191-E195 WeakPolarHBondContact O-CG 3.46Å; D191-E195 PolarHBondContact O-N 2.76Å; E192-E195 PolarHBondContact O-N 3.47Å; E195-N198 PolarHBondContact O-N 3.43Å; E195-R199 WeakPolarHBondContact O-CB 3.23Å; E195-R199 PolarHBondContact O-N 2.89Å
196	E	98.2	Very high	97.8	Very high	79 Å²	79	55.7 Å²	55.7	37%	0.369	28%	0.279	S	S	.	.	H	α-helix	trans	-64	-43.7	177.1	-169.1	173.7	-162.8	0	0	112.5	E192 S193 L194 N198 R199 I200 I270	E192-E196 WeakPolarHBondContact O-CB 3.3Å; E192-E196 PolarHBondContact O-N 2.77Å; S193-E196 PolarHBondContact O-N 2.55Å; L194-E196 VanDerWaalsContact C-N 3.34Å; E196-N198 VanDerWaalsContact C-N 3.31Å; E196-N198 PolarHBondContact O-N 3.08Å; E196-R199 WeakPolarHBondContact O-CB 3.23Å; E196-R199 PolarHBondContact O-N 2.91Å; E196-R199 VanDerWaalsContact O-N 3.16Å; E196-R199 IonicContact OE1-NH2 3.91Å; E196-R199 PolarHBondContact OE1-NH2 2.79Å; E196-I200 HydrophobicContact CG-CG1 4.48Å; E196-I200 WeakPolarHBondContact O-CG1 3.25Å; E196-I200 PolarHBondContact O-N 3.26Å; E196-I270 HydrophobicContact CB-CD1 4.1Å; E196-I270 HydrophobicContact CG-CD1 3.64Å
197	I	98.7	Very high	98.1	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-55.2	-50.3	173	-70.6	162.2	0	0	0	109.8	F175 L189 S193 L194 R199 I200 L201 C233 L245 I270	F175-I197 HydrophobicContact CB-CD1 4.09Å; F175-I197 HydrophobicContact CD1-CD1 3.81Å; F175-I197 HydrophobicContact CD1-CG1 3.96Å; F175-I197 HydrophobicContact CD2-CD1 3.68Å; F175-I197 HydrophobicContact CE1-CD1 4.08Å; F175-I197 HydrophobicContact CE1-CG1 4.02Å; F175-I197 HydrophobicContact CE2-CD1 3.95Å; F175-I197 HydrophobicContact CG-CD1 3.59Å; F175-I197 HydrophobicContact CG-CG1 4.26Å; F175-I197 HydrophobicContact CZ-CD1 4.14Å; F175-I197 HydrophobicContact CZ-CG1 4.38Å; F175-I197 HydrophobicContact CZ-CG2 4.32Å; L189-I197 HydrophobicContact CD1-CD1 4.27Å; L189-I197 HydrophobicContact CD2-CD1 3.61Å; S193-I197 VanDerWaalsContact O-CG1 3.25Å; S193-I197 WeakPolarHBondContact O-CG1 3.1Å; S193-I197 PolarHBondContact O-N 2.86Å; L194-I197 PolarHBondContact O-N 3.27Å; I197-R199 VanDerWaalsContact C-N 3.28Å; I197-R199 PolarHBondContact O-N 3.41Å; I197-I200 PolarHBondContact O-N 3.41Å; I197-L201 HydrophobicContact CG2-CD1 3.92Å; I197-L201 HydrophobicContact CG2-CG 4.3Å; I197-L201 VanDerWaalsContact O-CG 3.26Å; I197-L201 WeakPolarHBondContact O-CG 3.17Å; I197-L201 PolarHBondContact O-N 3.09Å; I197-C233 HydrophobicContact CG2-CB 3.67Å; I197-L245 HydrophobicContact CD1-CD1 4.31Å; I197-I270 HydrophobicContact CG1-CD1 3.89Å; I197-I270 HydrophobicContact CG1-CG1 3.82Å; I197-I270 HydrophobicContact CG1-CG2 4.22Å
198	N	98.8	Very high	98.2	Very high	39 Å²	39	57.5 Å²	57.5	21%	0.209	29%	0.289	C	S	.	.	H	α-helix	trans	-60.8	-37.3	179.6	-84.6	-63	0	0	0	112.5	L194 E195 E196 Q202 N232 C233	L194-N198 PolarHBondContact O-N 3.08Å; L194-N198 PolarHBondContact O-ND2 3.06Å; E195-N198 PolarHBondContact O-N 3.43Å; E196-N198 VanDerWaalsContact C-N 3.31Å; E196-N198 PolarHBondContact O-N 3.08Å; N198-Q202 WeakPolarHBondContact O-CG 3.39Å; N198-Q202 PolarHBondContact O-N 2.9Å; N198-Q202 PolarHBondContact O-NE2 3.3Å; N198-N232 WeakPolarHBondContact OD1-CA 3.14Å; N198-C233 PolarHBondContact ND2-O 3.03Å; N198-C233 PolarHBondContact OD1-N 2.88Å; N198-C233 PolarHBondContact OD1-O 2.81Å
199	R	98.5	Very high	98.3	Very high	105 Å²	105	52.2 Å²	52.2	40%	0.396	27%	0.265	S	S	.	.	H	α-helix	trans	-63.2	-48.5	173.8	-173.1	-174.2	69.4	79.6	-3.4	111.8	E195 E196 I197 L201 Q202 E276	E195-R199 WeakPolarHBondContact O-CB 3.23Å; E195-R199 PolarHBondContact O-N 2.89Å; E196-R199 WeakPolarHBondContact O-CB 3.23Å; E196-R199 PolarHBondContact O-N 2.91Å; E196-R199 VanDerWaalsContact O-N 3.16Å; E196-R199 IonicContact OE1-NH2 3.91Å; E196-R199 PolarHBondContact OE1-NH2 2.79Å; I197-R199 VanDerWaalsContact C-N 3.28Å; I197-R199 PolarHBondContact O-N 3.41Å; R199-L201 VanDerWaalsContact C-N 3.32Å; R199-L201 PolarHBondContact O-N 2.87Å; R199-Q202 WeakPolarHBondContact O-CB 3.5Å; R199-Q202 PolarHBondContact O-N 2.83Å; R199-Q202 VanDerWaalsContact O-N 3.16Å; R199-E276 IonicContact CZ-OE1 3.17Å; R199-E276 IonicContact CZ-OE2 3.46Å; R199-E276 VanDerWaalsContact CZ-OE2 3.28Å; R199-E276 IonicContact NH1-OE1 2.73Å; R199-E276 PolarHBondContact NH1-OE1 2.87Å; R199-E276 IonicContact NH1-OE2 2.7Å; R199-E276 PolarHBondContact NH1-OE2 3.35Å; R199-E276 IonicContact NH2-OE2 3.89Å; R199-E276 PolarHBondContact NH2-OE2 2.91Å
200	I	98.4	Very high	98.4	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.8	-38.9	178.4	-66.9	-58.4	0	0	0	111.5	E196 I197 Q202 Y203 C266 I269 I270 E276 M279	E196-I200 HydrophobicContact CG-CG1 4.48Å; E196-I200 WeakPolarHBondContact O-CG1 3.25Å; E196-I200 PolarHBondContact O-N 3.26Å; I197-I200 PolarHBondContact O-N 3.41Å; I200-Q202 PolarHBondContact O-N 2.86Å; I200-Y203 WeakPolarHBondContact O-CD2 3.11Å; I200-Y203 PolarHBondContact O-N 2.78Å; I200-C266 HydrophobicContact CG2-CB 4.42Å; I200-I269 HydrophobicContact CD1-CG2 3.9Å; I200-I269 HydrophobicContact CG1-CG2 4.16Å; I200-I269 HydrophobicContact CG2-CD1 4.08Å; I200-I270 HydrophobicContact CG1-CD1 4Å; I200-E276 HydrophobicContact CD1-CG 4.08Å; I200-M279 HydrophobicContact CG2-CE 3.89Å
201	L	98.7	Very high	98.4	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-62.4	-25	177.1	-71.6	175.9	0	0	0	113.4	I197 R199 Y203 Y204 C231 C233 V247 F249 C266	I197-L201 HydrophobicContact CG2-CD1 3.92Å; I197-L201 HydrophobicContact CG2-CG 4.3Å; I197-L201 VanDerWaalsContact O-CG 3.26Å; I197-L201 WeakPolarHBondContact O-CG 3.17Å; I197-L201 PolarHBondContact O-N 3.09Å; R199-L201 VanDerWaalsContact C-N 3.32Å; R199-L201 PolarHBondContact O-N 2.87Å; L201-Y203 PolarHBondContact O-N 2.88Å; L201-Y204 HydrophobicContact CD2-CD2 4.11Å; L201-Y204 HydrophobicContact CD2-CE2 3.97Å; L201-Y204 WeakPolarHBondContact O-CB 3.5Å; L201-Y204 PolarHBondContact O-N 3.01Å; L201-Y204 VanDerWaalsContact O-N 3.16Å; L201-C231 HydrophobicContact CB-CB 4.36Å; L201-C233 HydrophobicContact CD1-CB 3.81Å; L201-V247 HydrophobicContact CD1-CG1 3.59Å; L201-V247 HydrophobicContact CD2-CG1 4.13Å; L201-F249 HydrophobicContact CD2-CE1 4.43Å; L201-F249 HydrophobicContact CD2-CZ 4.49Å; L201-C266 HydrophobicContact CD2-CB 4.29Å
202	Q	98.4	Very high	98.4	Very high	95 Å²	95	45.2 Å²	45.2	44%	0.444	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-66.7	-22.1	179.3	-62.2	-39.8	-64.3	0	0	113.4	N198 R199 I200 Y204 V205 C231	N198-Q202 WeakPolarHBondContact O-CG 3.39Å; N198-Q202 PolarHBondContact O-N 2.9Å; N198-Q202 PolarHBondContact O-NE2 3.3Å; R199-Q202 WeakPolarHBondContact O-CB 3.5Å; R199-Q202 PolarHBondContact O-N 2.83Å; R199-Q202 VanDerWaalsContact O-N 3.16Å; I200-Q202 PolarHBondContact O-N 2.86Å; Q202-Y204 PolarHBondContact O-N 3.16Å; Q202-Y204 VanDerWaalsContact O-N 3.07Å; Q202-V205 PolarHBondContact O-N 3.33Å; Q202-V205 VanDerWaalsContact O-N 3.08Å; Q202-C231 PolarHBondContact NE2-O 3.41Å
203	Y	98.2	Very high	98.4	Very high	70 Å²	70	38.7 Å²	38.7	28%	0.275	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-59.1	-21.9	173.5	-81.8	-84.1	0	0	0	113.3	I200 L201 H208 E276 M279 W283	I200-Y203 WeakPolarHBondContact O-CD2 3.11Å; I200-Y203 PolarHBondContact O-N 2.78Å; L201-Y203 PolarHBondContact O-N 2.88Å; Y203-H208 PolarHBondContact O-NE2 2.91Å; Y203-E276 HydrophobicContact CE2-CG 4.09Å; Y203-E276 WeakPolarHBondContact CE2-OE1 3.4Å; Y203-E276 PolarHBondContact OH-OE1 2.97Å; Y203-M279 HydrophobicContact CD1-CG 3.63Å; Y203-M279 HydrophobicContact CD2-CG 3.96Å; Y203-M279 HydrophobicContact CE1-CG 4.22Å; Y203-M279 HydrophobicContact CE2-CG 4.5Å; Y203-M279 HydrophobicContact CG-CG 3.47Å; Y203-M279 VanDerWaalsContact CG-CG 3.47Å; Y203-M279 HydrophobicContact CG-SD 4.27Å; Y203-W283 WeakPolarHBondContact O-CZ2 3.44Å
204	Y	98.6	Very high	98.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-86.4	-21.2	179.3	-57.5	-42.1	0	0	0	114	L201 Q202 H208 F210 F213 I228 M262 M279 W283	L201-Y204 HydrophobicContact CD2-CD2 4.11Å; L201-Y204 HydrophobicContact CD2-CE2 3.97Å; L201-Y204 WeakPolarHBondContact O-CB 3.5Å; L201-Y204 PolarHBondContact O-N 3.01Å; L201-Y204 VanDerWaalsContact O-N 3.16Å; Q202-Y204 PolarHBondContact O-N 3.16Å; Q202-Y204 VanDerWaalsContact O-N 3.07Å; Y204-H208 PolarHBondContact O-CD2 2.84Å; Y204-F210 HydrophobicContact CD1-CE1 4.33Å; Y204-F213 HydrophobicContact CD1-CZ 4.42Å; Y204-F213 AromaticContact CE1-CE1 3.84Å; Y204-F213 HydrophobicContact CE1-CE1 3.84Å; Y204-F213 AromaticContact CE1-CZ 3.67Å; Y204-F213 HydrophobicContact CE1-CZ 3.67Å; Y204-I228 VanDerWaalsContact O-CB 3.22Å; Y204-I228 WeakPolarHBondContact O-CB 3.3Å; Y204-I228 WeakPolarHBondContact O-CG1 3.34Å; Y204-M262 HydrophobicContact CD1-CE 4.16Å; Y204-M262 HydrophobicContact CD1-CG 4.25Å; Y204-M262 HydrophobicContact CD2-CB 4.17Å; Y204-M262 HydrophobicContact CD2-CE 3.53Å; Y204-M262 HydrophobicContact CD2-CG 4.36Å; Y204-M262 HydrophobicContact CE1-CB 4.35Å; Y204-M262 HydrophobicContact CE1-CG 4.1Å; Y204-M262 HydrophobicContact CE2-CB 3.68Å; Y204-M262 HydrophobicContact CE2-CE 4.22Å; Y204-M262 HydrophobicContact CE2-CG 4.19Å; Y204-M262 HydrophobicContact CG-CE 3.49Å; Y204-M262 VanDerWaalsContact CG-CE 3.49Å; Y204-M262 HydrophobicContact CG-CG 4.37Å; Y204-M262 WeakPolarHBondContact OH-CA 3.16Å; Y204-M262 PolarHBondContact OH-O 2.98Å; Y204-M279 HydrophobicContact CD1-SD 4.49Å; Y204-M279 HydrophobicContact CE1-CE 3.77Å; Y204-M279 HydrophobicContact CE1-SD 3.77Å; Y204-W283 AromaticContact CD1-CH2 3.84Å; Y204-W283 HydrophobicContact CD1-CH2 3.84Å; Y204-W283 AromaticContact CD1-CZ2 3.83Å; Y204-W283 HydrophobicContact CD1-CZ2 3.83Å; Y204-W283 HydrophobicContact CE1-CH2 4.33Å; Y204-W283 HydrophobicContact CE1-CZ2 4.19Å
205	V	98.8	Very high	98.1	Very high	46 Å²	46	39.9 Å²	39.9	28%	0.279	20%	0.204	S	C	.	.	S	Bend	trans	-71.1	138.5	-176.7	178	0	0	0	0	109.7	Q202 H208 C231	Q202-V205 PolarHBondContact O-N 3.33Å; Q202-V205 VanDerWaalsContact O-N 3.08Å; V205-H208 PolarHBondContact O-NE2 3.2Å; V205-C231 HydrophobicContact CG2-CB 3.9Å
206	G	98.6	Very high	97.8	Very high	20 Å²	20	37.1 Å²	37.1	21%	0.206	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	104.4	-168.2	-174.2	0	0	0	0	0	113.3	Y227 I228	G206-Y227 WeakPolarHBondContact O-CA 3.26Å; G206-I228 PolarHBondContact N-O 2.83Å; G206-I228 PolarHBondContact O-N 3.18Å
207	T	98.5	Very high	97.7	Very high	94 Å²	94	35.2 Å²	35.2	58%	0.577	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	115.2	179.5	-61.9	0	0	0	0	109.5	R226 Y227	T207-R226 WeakPolarHBondContact CA-O 3.27Å; T207-Y227 WeakPolarHBondContact OG1-CD2 3.5Å
208	H	98.4	Very high	97.5	Very high	58 Å²	58	38.4 Å²	38.4	27%	0.269	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	160.9	-177.8	-59.8	-70.8	0	0	0	111.9	Y203 Y204 V205 F210 K225 R226 W283	Y203-H208 PolarHBondContact O-NE2 2.91Å; Y204-H208 PolarHBondContact O-CD2 2.84Å; V205-H208 PolarHBondContact O-NE2 3.2Å; H208-F210 HydrophobicContact CB-CD2 4.13Å; H208-F210 HydrophobicContact CB-CE2 3.71Å; H208-F210 HydrophobicContact CB-CZ 4.22Å; H208-F210 WeakPolarHBondContact O-CD2 3.04Å; H208-F210 PolarHBondContact O-N 3.34Å; H208-K225 CarbonylContact O-C 3.54Å; H208-K225 VanDerWaalsContact O-CA 3.23Å; H208-K225 WeakPolarHBondContact O-CA 3.46Å; H208-R226 PolarHBondContact N-O 3.16Å; H208-R226 VanDerWaalsContact N-O 3.07Å; H208-R226 PolarHBondContact O-N 3.08Å; H208-W283 HydrophobicContact CB-CE3 3.84Å; H208-W283 HydrophobicContact CB-CH2 4.03Å; H208-W283 HydrophobicContact CB-CZ3 3.53Å
209	N	98.1	Very high	97.4	Very high	17 Å²	17	40.9 Å²	40.9	9%	0.091	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	102.7	172	-167.9	-21.9	0	0	0	110.4	F211 Y219 S224 K225	N209-F211 VanDerWaalsContact C-N 3.3Å; N209-F211 PolarHBondContact O-N 2.9Å; N209-F211 WeakPolarHBondContact OD1-CB 3.16Å; N209-F211 PolarHBondContact OD1-N 3.37Å; N209-Y219 HydrophobicContact CB-CE2 4.26Å; N209-Y219 VanDerWaalsContact ND2-CD2 3.33Å; N209-Y219 WeakPolarHBondContact ND2-CD2 3.22Å; N209-Y219 WeakPolarHBondContact ND2-CE2 3.34Å; N209-Y219 PolarHBondContact ND2-O 3.21Å; N209-S224 WeakPolarHBondContact OD1-CB 3.44Å; N209-K225 HydrophobicContact CB-CG 4.34Å
210	F	98.4	Very high	97.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.248	C	C	.	.			trans	-88.9	21.2	-175.8	-75.8	-90.9	0	0	0	113.5	Y204 H208 N212 F213 S224 R226 I228 L255 Q258 M262 W283	Y204-F210 HydrophobicContact CD1-CE1 4.33Å; H208-F210 HydrophobicContact CB-CD2 4.13Å; H208-F210 HydrophobicContact CB-CE2 3.71Å; H208-F210 HydrophobicContact CB-CZ 4.22Å; H208-F210 WeakPolarHBondContact O-CD2 3.04Å; H208-F210 PolarHBondContact O-N 3.34Å; F210-N212 PolarHBondContact O-N 3.23Å; F210-F213 HydrophobicContact CB-CB 4.25Å; F210-F213 HydrophobicContact CB-CD2 4.24Å; F210-F213 HydrophobicContact CD1-CB 4.08Å; F210-F213 AromaticContact CD1-CD2 3.53Å; F210-F213 HydrophobicContact CD1-CD2 3.53Å; F210-F213 HydrophobicContact CD1-CE2 4.07Å; F210-F213 AromaticContact CD1-CG 3.83Å; F210-F213 HydrophobicContact CD1-CG 3.83Å; F210-F213 HydrophobicContact CE1-CD2 4.35Å; F210-F213 HydrophobicContact CG-CD2 4.27Å; F210-F213 WeakPolarHBondContact O-CA 3.42Å; F210-F213 WeakPolarHBondContact O-CB 3.32Å; F210-F213 PolarHBondContact O-N 2.83Å; F210-S224 PolarHBondContact N-O 3.26Å; F210-R226 HydrophobicContact CD2-CB 3.73Å; F210-R226 HydrophobicContact CD2-CG 4.45Å; F210-R226 HydrophobicContact CE2-CB 4.06Å; F210-I228 HydrophobicContact CE2-CG1 3.99Å; F210-I228 HydrophobicContact CZ-CD1 4.37Å; F210-I228 HydrophobicContact CZ-CG1 3.61Å; F210-L255 HydrophobicContact CB-CD1 3.79Å; F210-Q258 HydrophobicContact CB-CG 4.33Å; F210-Q258 HydrophobicContact CD1-CG 3.83Å; F210-Q258 HydrophobicContact CE1-CG 4.46Å; F210-Q258 VanDerWaalsContact CE1-NE2 3.33Å; F210-Q258 HydrophobicContact CG-CG 4.24Å; F210-Q258 VanDerWaalsContact CG-NE2 3.33Å; F210-M262 HydrophobicContact CD1-SD 4.46Å; F210-M262 HydrophobicContact CE1-CE 4.31Å; F210-M262 HydrophobicContact CE1-CG 4.31Å; F210-M262 HydrophobicContact CE1-SD 3.94Å; F210-W283 HydrophobicContact CD1-CH2 4.11Å; F210-W283 AromaticContact CD1-CZ3 3.98Å; F210-W283 HydrophobicContact CD1-CZ3 3.98Å; F210-W283 AromaticContact CE1-CH2 3.66Å; F210-W283 HydrophobicContact CE1-CH2 3.66Å; F210-W283 AromaticContact CE1-CZ3 3.96Å; F210-W283 HydrophobicContact CE1-CZ3 3.96Å; F210-W283 HydrophobicContact CG-CZ3 4.26Å; F210-W283 AromaticContact CZ-CH2 3.96Å; F210-W283 HydrophobicContact CZ-CH2 3.96Å; F210-W283 HydrophobicContact CZ-CZ3 4.23Å
211	F	97.7	Very high	97.2	Very high	4 Å²	4	46 Å²	46	2%	0.018	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-59.2	-31.3	-176.1	87.5	-67.7	0	0	0	113.8	N209 F213 T214 Y219 L284 P285	N209-F211 VanDerWaalsContact C-N 3.3Å; N209-F211 PolarHBondContact O-N 2.9Å; N209-F211 WeakPolarHBondContact OD1-CB 3.16Å; N209-F211 PolarHBondContact OD1-N 3.37Å; F211-F213 VanDerWaalsContact C-N 3.29Å; F211-T214 PolarHBondContact O-N 2.8Å; F211-T214 VanDerWaalsContact O-O 3.11Å; F211-Y219 AromaticContact CD1-CD2 3.63Å; F211-Y219 HydrophobicContact CD1-CD2 3.63Å; F211-Y219 HydrophobicContact CD1-CE2 4.47Å; F211-Y219 HydrophobicContact CD1-CG 4.49Å; F211-Y219 AromaticContact CE1-CD2 3.48Å; F211-Y219 HydrophobicContact CE1-CD2 3.48Å; F211-Y219 VanDerWaalsContact CE1-CD2 3.48Å; F211-Y219 HydrophobicContact CE1-CE2 4.23Å; F211-Y219 HydrophobicContact CE1-CG 4.42Å; F211-Y219 HydrophobicContact CG-CD2 4.32Å; F211-Y219 HydrophobicContact CZ-CD2 4Å; F211-L284 WeakPolarHBondContact CE1-O 3.47Å; F211-L284 WeakPolarHBondContact CZ-O 3.39Å; F211-P285 WeakPolarHBondContact CZ-O 3.45Å
212	N	98	Very high	97.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-72	-23.3	174.5	-86.2	-38.9	0	0	0	112.7	F210 T214 K261 V282 E286 R287 V288 I290	F210-N212 PolarHBondContact O-N 3.23Å; N212-T214 VanDerWaalsContact C-N 3.28Å; N212-T214 PolarHBondContact O-N 3.19Å; N212-K261 PolarHBondContact O-NZ 2.59Å; N212-V282 PolarHBondContact ND2-O 3.28Å; N212-E286 PolarHBondContact ND2-O 3.44Å; N212-R287 WeakPolarHBondContact OD1-CA 3.44Å; N212-V288 HydrophobicContact CB-CG2 4.13Å; N212-V288 PolarHBondContact OD1-N 3.4Å; N212-I290 HydrophobicContact CB-CD1 4.01Å
213	F	98.4	Very high	97	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-86.2	8.7	176.8	-61.8	-92.1	0	0	0	113.6	Y204 F210 F211 Q258 K261 M262 L265 V282 W283 I290	Y204-F213 HydrophobicContact CD1-CZ 4.42Å; Y204-F213 AromaticContact CE1-CE1 3.84Å; Y204-F213 HydrophobicContact CE1-CE1 3.84Å; Y204-F213 AromaticContact CE1-CZ 3.67Å; Y204-F213 HydrophobicContact CE1-CZ 3.67Å; F210-F213 HydrophobicContact CB-CB 4.25Å; F210-F213 HydrophobicContact CB-CD2 4.24Å; F210-F213 HydrophobicContact CD1-CB 4.08Å; F210-F213 AromaticContact CD1-CD2 3.53Å; F210-F213 HydrophobicContact CD1-CD2 3.53Å; F210-F213 HydrophobicContact CD1-CE2 4.07Å; F210-F213 AromaticContact CD1-CG 3.83Å; F210-F213 HydrophobicContact CD1-CG 3.83Å; F210-F213 HydrophobicContact CE1-CD2 4.35Å; F210-F213 HydrophobicContact CG-CD2 4.27Å; F210-F213 WeakPolarHBondContact O-CA 3.42Å; F210-F213 WeakPolarHBondContact O-CB 3.32Å; F210-F213 PolarHBondContact O-N 2.83Å; F211-F213 VanDerWaalsContact C-N 3.29Å; F213-Q258 HydrophobicContact CB-CG 3.98Å; F213-Q258 WeakPolarHBondContact O-CA 3.42Å; F213-K261 VanDerWaalsContact C-CD 3.49Å; F213-K261 HydrophobicContact CB-CB 4.36Å; F213-K261 HydrophobicContact CD1-CB 3.87Å; F213-K261 WeakPolarHBondContact O-CD 3.5Å; F213-M262 HydrophobicContact CD1-CB 4.47Å; F213-M262 HydrophobicContact CD1-CG 3.68Å; F213-M262 HydrophobicContact CE1-CB 4.47Å; F213-M262 HydrophobicContact CE1-CG 3.86Å; F213-M262 HydrophobicContact CG-CG 4.43Å; F213-L265 HydrophobicContact CE1-CD2 4.04Å; F213-L265 HydrophobicContact CZ-CD2 3.94Å; F213-V282 HydrophobicContact CE2-CB 4.01Å; F213-V282 HydrophobicContact CE2-CG2 3.6Å; F213-V282 HydrophobicContact CZ-CB 4.1Å; F213-V282 HydrophobicContact CZ-CG2 3.63Å; F213-W283 HydrophobicContact CD2-CH2 4.43Å; F213-W283 HydrophobicContact CD2-CZ3 4.15Å; F213-W283 HydrophobicContact CE2-CE3 4.2Å; F213-W283 AromaticContact CE2-CH2 3.57Å; F213-W283 HydrophobicContact CE2-CH2 3.57Å; F213-W283 HydrophobicContact CE2-CZ2 4.26Å; F213-W283 AromaticContact CE2-CZ3 3.53Å; F213-W283 HydrophobicContact CE2-CZ3 3.53Å; F213-W283 HydrophobicContact CZ-CH2 4.03Å; F213-W283 HydrophobicContact CZ-CZ2 4.41Å; F213-W283 HydrophobicContact CZ-CZ3 4.41Å; F213-I290 HydrophobicContact CD1-CD1 3.86Å; F213-I290 HydrophobicContact CD2-CD1 4.27Å; F213-I290 HydrophobicContact CE1-CD1 3.72Å; F213-I290 HydrophobicContact CE2-CD1 4.15Å; F213-I290 HydrophobicContact CG-CD1 4.13Å; F213-I290 HydrophobicContact CZ-CD1 3.87Å
214	T	97.4	Very high	96.9	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.006	27%	0.273	C	S	.	.	S	Bend	trans	-140.6	166.4	175.3	-173.9	0	0	0	0	110.4	F211 N212 K217 L255 I256	F211-T214 PolarHBondContact O-N 2.8Å; F211-T214 VanDerWaalsContact O-O 3.11Å; N212-T214 VanDerWaalsContact C-N 3.28Å; N212-T214 PolarHBondContact O-N 3.19Å; T214-K217 HydrophobicContact CG2-CB 3.8Å; T214-K217 HydrophobicContact CG2-CD 4.09Å; T214-K217 HydrophobicContact CG2-CG 3.91Å; T214-L255 HydrophobicContact CG2-CB 4.38Å; T214-L255 HydrophobicContact CG2-CD1 3.82Å; T214-L255 HydrophobicContact CG2-CD2 4.49Å; T214-L255 HydrophobicContact CG2-CG 4.47Å; T214-I256 WeakPolarHBondContact OG1-CG2 3.24Å; T214-I256 PolarHBondContact OG1-O 3.24Å
215	S	93.9	Very high	96.9	Very high	69 Å²	69	50.8 Å²	50.8	48%	0.483	29%	0.291	S	S	.	.	S	Bend	trans	-99.6	161.2	165.4	52.9	0	0	0	0	110.3	K217	S215-K217 VanDerWaalsContact C-N 3.26Å; S215-K217 PolarHBondContact O-N 2.86Å
216	G	91.9	Very high	96.9	Very high	81 Å²	81	50.6 Å²	50.6	84%	0.835	29%	0.285	S	S	*	.	S	Bend	trans	70.5	13	172.1	0	0	0	0	0	116
217	K	94.9	Very high	96.9	Very high	39 Å²	39	54 Å²	54	17%	0.17	29%	0.293	C	S	.	.			trans	-122.6	149	172.8	-66.9	-156.3	160.4	-72.1	0	112.3	T214 S215 E221 S223 S224 L255 R287	T214-K217 HydrophobicContact CG2-CB 3.8Å; T214-K217 HydrophobicContact CG2-CD 4.09Å; T214-K217 HydrophobicContact CG2-CG 3.91Å; S215-K217 VanDerWaalsContact C-N 3.26Å; S215-K217 PolarHBondContact O-N 2.86Å; K217-E221 WeakPolarHBondContact CA-OE1 3.33Å; K217-E221 IonicContact NZ-OE2 3.62Å; K217-E221 PolarHBondContact NZ-OE2 3.33Å; K217-S223 PolarHBondContact NZ-OG 2.97Å; K217-S224 WeakPolarHBondContact CD-OG 3.3Å; K217-L255 HydrophobicContact CD-CD2 3.67Å; K217-R287 PolarHBondContact O-NH2 3.01Å
218	T	95.4	Very high	96.9	Very high	67 Å²	67	49.6 Å²	49.6	41%	0.411	27%	0.265	S	S	.	.			trans	-98.9	163.8	173	64.3	0	0	0	0	111.3	I220 E221 S224	T218-I220 VanDerWaalsContact C-N 3.29Å; T218-I220 PolarHBondContact O-N 3.38Å; T218-I220 WeakPolarHBondContact OG1-CG1 2.85Å; T218-E221 PolarHBondContact N-OE1 2.8Å; T218-E221 WeakPolarHBondContact OG1-CG 3.09Å; T218-E221 PolarHBondContact OG1-OE1 3.24Å; T218-S224 PolarHBondContact O-OG 2.85Å
219	Y	96.6	Very high	96.9	Very high	91 Å²	91	50 Å²	50	36%	0.357	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-37	177.5	-178.1	-98.2	0	0	0	112.5	N209 F211 E221 W283 P285	N209-Y219 HydrophobicContact CB-CE2 4.26Å; N209-Y219 VanDerWaalsContact ND2-CD2 3.33Å; N209-Y219 WeakPolarHBondContact ND2-CD2 3.22Å; N209-Y219 WeakPolarHBondContact ND2-CE2 3.34Å; N209-Y219 PolarHBondContact ND2-O 3.21Å; F211-Y219 AromaticContact CD1-CD2 3.63Å; F211-Y219 HydrophobicContact CD1-CD2 3.63Å; F211-Y219 HydrophobicContact CD1-CE2 4.47Å; F211-Y219 HydrophobicContact CD1-CG 4.49Å; F211-Y219 AromaticContact CE1-CD2 3.48Å; F211-Y219 HydrophobicContact CE1-CD2 3.48Å; F211-Y219 VanDerWaalsContact CE1-CD2 3.48Å; F211-Y219 HydrophobicContact CE1-CE2 4.23Å; F211-Y219 HydrophobicContact CE1-CG 4.42Å; F211-Y219 HydrophobicContact CG-CD2 4.32Å; F211-Y219 HydrophobicContact CZ-CD2 4Å; Y219-E221 VanDerWaalsContact C-N 3.29Å; Y219-E221 PolarHBondContact O-N 2.89Å; Y219-W283 WeakPolarHBondContact CE2-O 3.29Å; Y219-P285 HydrophobicContact CD1-CB 3.94Å; Y219-P285 HydrophobicContact CD1-CG 3.99Å; Y219-P285 HydrophobicContact CD2-CB 4.13Å; Y219-P285 HydrophobicContact CD2-CG 4.32Å; Y219-P285 HydrophobicContact CE1-CB 4.26Å; Y219-P285 HydrophobicContact CE1-CG 3.78Å; Y219-P285 HydrophobicContact CE2-CB 4.42Å; Y219-P285 HydrophobicContact CE2-CG 4.11Å; Y219-P285 HydrophobicContact CG-CB 3.87Å; Y219-P285 HydrophobicContact CG-CG 4.25Å
220	I	96.7	Very high	96.9	Very high	153 Å²	153	53.1 Å²	53.1	79%	0.785	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-13.5	-174.1	61.2	169.4	0	0	0	114	T218 E222	T218-I220 VanDerWaalsContact C-N 3.29Å; T218-I220 PolarHBondContact O-N 3.38Å; T218-I220 WeakPolarHBondContact OG1-CG1 2.85Å; I220-E222 PolarHBondContact O-N 3.33Å
221	E	96.3	Very high	96.9	Very high	60 Å²	60	53.4 Å²	53.4	28%	0.28	28%	0.284	S	S	.	.			trans	-72.6	119.9	178.9	-79.4	169.3	-108.3	0	0	111.1	K217 T218 Y219 S223 S224	K217-E221 WeakPolarHBondContact CA-OE1 3.33Å; K217-E221 IonicContact NZ-OE2 3.62Å; K217-E221 PolarHBondContact NZ-OE2 3.33Å; T218-E221 PolarHBondContact N-OE1 2.8Å; T218-E221 WeakPolarHBondContact OG1-CG 3.09Å; T218-E221 PolarHBondContact OG1-OE1 3.24Å; Y219-E221 VanDerWaalsContact C-N 3.29Å; Y219-E221 PolarHBondContact O-N 2.89Å; E221-S223 PolarHBondContact O-N 3.14Å; E221-S223 VanDerWaalsContact O-N 3.12Å; E221-S224 WeakPolarHBondContact O-CB 3.5Å; E221-S224 PolarHBondContact O-N 3.14Å; E221-S224 PolarHBondContact O-OG 3.4Å
222	E	95.6	Very high	97	Very high	124 Å²	124	56.2 Å²	56.2	58%	0.579	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-57.6	-32.3	175.1	-168.9	58.6	-153	0	0	112.1	I220 S224 K225	I220-E222 PolarHBondContact O-N 3.33Å; E222-S224 PolarHBondContact O-N 2.68Å; E222-K225 VanDerWaalsContact CD-NZ 3.35Å; E222-K225 PolarHBondContact O-N 3.16Å; E222-K225 WeakPolarHBondContact OE1-CD 3.17Å; E222-K225 IonicContact OE1-NZ 3.33Å; E222-K225 PolarHBondContact OE1-NZ 3.31Å; E222-K225 VanDerWaalsContact OE1-NZ 3.16Å; E222-K225 WeakPolarHBondContact OE2-CE 3.4Å; E222-K225 IonicContact OE2-NZ 2.82Å; E222-K225 PolarHBondContact OE2-NZ 3.06Å
223	S	95.8	Very high	97	Very high	55 Å²	55	56.6 Å²	56.6	39%	0.385	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-69.4	2.4	174.7	68.1	0	0	0	0	114.5	K217 E221 R226	K217-S223 PolarHBondContact NZ-OG 2.97Å; E221-S223 PolarHBondContact O-N 3.14Å; E221-S223 VanDerWaalsContact O-N 3.12Å; S223-R226 VanDerWaalsContact C-NH1 3.33Å; S223-R226 VanDerWaalsContact O-CZ 3.25Å; S223-R226 PolarHBondContact O-NH1 3.12Å; S223-R226 PolarHBondContact O-NH2 2.9Å
224	S	97.2	Very high	97	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-86.7	-19.8	165.4	-60.5	0	0	0	0	112.8	N209 F210 K217 T218 E221 E222	N209-S224 WeakPolarHBondContact OD1-CB 3.44Å; F210-S224 PolarHBondContact N-O 3.26Å; K217-S224 WeakPolarHBondContact CD-OG 3.3Å; T218-S224 PolarHBondContact O-OG 2.85Å; E221-S224 WeakPolarHBondContact O-CB 3.5Å; E221-S224 PolarHBondContact O-N 3.14Å; E221-S224 PolarHBondContact O-OG 3.4Å; E222-S224 PolarHBondContact O-N 2.68Å
225	K	98.3	Very high	97.1	Very high	88 Å²	88	63.3 Å²	63.3	38%	0.383	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	135.7	177.4	-61.2	-172.1	-163.8	146.9	0	111.7	H208 N209 E222	H208-K225 CarbonylContact O-C 3.54Å; H208-K225 VanDerWaalsContact O-CA 3.23Å; H208-K225 WeakPolarHBondContact O-CA 3.46Å; N209-K225 HydrophobicContact CB-CG 4.34Å; E222-K225 VanDerWaalsContact CD-NZ 3.35Å; E222-K225 PolarHBondContact O-N 3.16Å; E222-K225 WeakPolarHBondContact OE1-CD 3.17Å; E222-K225 IonicContact OE1-NZ 3.33Å; E222-K225 PolarHBondContact OE1-NZ 3.31Å; E222-K225 VanDerWaalsContact OE1-NZ 3.16Å; E222-K225 WeakPolarHBondContact OE2-CE 3.4Å; E222-K225 IonicContact OE2-NZ 2.82Å; E222-K225 PolarHBondContact OE2-NZ 3.06Å
226	R	98.4	Very high	97.2	Very high	42 Å²	42	61 Å²	61	16%	0.158	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	154.2	176.5	-66.7	-64.4	-177.4	-84.3	-5.1	110.3	T207 H208 F210 S223 S253 L255	T207-R226 WeakPolarHBondContact CA-O 3.27Å; H208-R226 PolarHBondContact N-O 3.16Å; H208-R226 VanDerWaalsContact N-O 3.07Å; H208-R226 PolarHBondContact O-N 3.08Å; F210-R226 HydrophobicContact CD2-CB 3.73Å; F210-R226 HydrophobicContact CD2-CG 4.45Å; F210-R226 HydrophobicContact CE2-CB 4.06Å; S223-R226 VanDerWaalsContact C-NH1 3.33Å; S223-R226 VanDerWaalsContact O-CZ 3.25Å; S223-R226 PolarHBondContact O-NH1 3.12Å; S223-R226 PolarHBondContact O-NH2 2.9Å; R226-S253 WeakPolarHBondContact CD-O 3.47Å; R226-S253 WeakPolarHBondContact CD-OG 3.41Å; R226-S253 PolarHBondContact NE-OG 3.07Å; R226-L255 HydrophobicContact CG-CD1 4.42Å; R226-L255 HydrophobicContact CG-CG 4.25Å
227	Y	98.7	Very high	97.3	Very high	92 Å²	92	63 Å²	63	36%	0.361	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	114.5	175.8	179.7	-125	0	0	0	110	G206 T207 M229 G251 Q252	G206-Y227 WeakPolarHBondContact O-CA 3.26Å; T207-Y227 WeakPolarHBondContact OG1-CD2 3.5Å; Y227-M229 HydrophobicContact CD1-CG 3.98Å; Y227-M229 HydrophobicContact CE1-CG 3.64Å; Y227-G251 WeakPolarHBondContact O-CA 3.41Å; Y227-Q252 PolarHBondContact O-N 3.05Å
228	I	98.8	Very high	97.1	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.1	171.7	-54	-55.1	0	0	0	107.6	Y204 G206 F210 F254	Y204-I228 VanDerWaalsContact O-CB 3.22Å; Y204-I228 WeakPolarHBondContact O-CB 3.3Å; Y204-I228 WeakPolarHBondContact O-CG1 3.34Å; G206-I228 PolarHBondContact N-O 2.83Å; G206-I228 PolarHBondContact O-N 3.18Å; F210-I228 HydrophobicContact CE2-CG1 3.99Å; F210-I228 HydrophobicContact CZ-CD1 4.37Å; F210-I228 HydrophobicContact CZ-CG1 3.61Å; I228-F254 HydrophobicContact CD1-CD1 4.05Å; I228-F254 HydrophobicContact CD1-CE1 3.54Å; I228-F254 HydrophobicContact CD1-CZ 4.28Å
229	M	98.7	Very high	96.7	Very high	67 Å²	67	67 Å²	67	33%	0.33	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	-45.2	-176.3	-54.9	177.7	78.3	0	0	110.7	Y227 K250	Y227-M229 HydrophobicContact CD1-CG 3.98Å; Y227-M229 HydrophobicContact CE1-CG 3.64Å; M229-K250 HydrophobicContact CB-CB 4.46Å; M229-K250 HydrophobicContact CB-CD 4.44Å; M229-K250 HydrophobicContact CB-CG 4.32Å; M229-K250 WeakPolarHBondContact CB-O 3.43Å; M229-K250 PolarHBondContact N-O 2.9Å; M229-K250 HydrophobicContact SD-CD 4.37Å; M229-K250 HydrophobicContact SD-CG 4.14Å
230	E	98.7	Very high	96.3	Very high	83 Å²	83	69.9 Å²	69.9	39%	0.388	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	141.3	-173.2	-60.6	164.1	-139.3	0	0	109.7	K250	E230-K250 HydrophobicContact CB-CB 4.09Å; E230-K250 HydrophobicContact CG-CD 4.45Å; E230-K250 PolarHBondContact N-O 2.85Å; E230-K250 PolarHBondContact O-N 2.9Å; E230-K250 WeakPolarHBondContact OE1-CD 3.41Å; E230-K250 IonicContact OE1-NZ 2.72Å; E230-K250 PolarHBondContact OE1-NZ 3.31Å
231	C	98.4	Very high	96	Very high	5 Å²	5	64 Å²	64	3%	0.034	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	124.3	173	-164.1	0	0	0	0	109.9	L201 Q202 V205 S248 F249	L201-C231 HydrophobicContact CB-CB 4.36Å; Q202-C231 PolarHBondContact NE2-O 3.41Å; V205-C231 HydrophobicContact CG2-CB 3.9Å; C231-S248 VanDerWaalsContact CA-O 3.32Å; C231-S248 WeakPolarHBondContact CA-O 3.36Å; C231-F249 HydrophobicContact CB-CD1 4.45Å; C231-F249 WeakPolarHBondContact SG-CD1 3.2Å; C231-F249 WeakPolarHBondContact SG-CE1 3.48Å
232	N	98.5	Very high	95.8	Very high	64 Å²	64	61.8 Å²	61.8	34%	0.342	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	155.5	178.9	56	75.4	0	0	0	111.7	N198 V247 S248	N198-N232 WeakPolarHBondContact OD1-CA 3.14Å; N232-V247 CarbonylContact O-C 3.46Å; N232-V247 VanDerWaalsContact O-CA 3.31Å; N232-V247 WeakPolarHBondContact O-CA 3.36Å; N232-V247 WeakPolarHBondContact O-CG1 3.36Å; N232-S248 PolarHBondContact N-O 2.99Å; N232-S248 VanDerWaalsContact N-O 3.09Å; N232-S248 PolarHBondContact O-N 3.27Å; N232-S248 WeakPolarHBondContact OD1-CB 3.3Å
233	C	98.8	Very high	95.9	Very high	7 Å²	7	57.4 Å²	57.4	5%	0.047	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	135.5	174.9	-176.8	0	0	0	0	109.6	L194 I197 N198 L201 I246 V247	L194-C233 HydrophobicContact CD1-CB 4.22Å; I197-C233 HydrophobicContact CG2-CB 3.67Å; N198-C233 PolarHBondContact ND2-O 3.03Å; N198-C233 PolarHBondContact OD1-N 2.88Å; N198-C233 PolarHBondContact OD1-O 2.81Å; L201-C233 HydrophobicContact CD1-CB 3.81Å; C233-I246 WeakPolarHBondContact CA-O 3.07Å; C233-V247 HydrophobicContact CB-CG2 4.17Å
234	S	98.5	Very high	95.9	Very high	53 Å²	53	55 Å²	55	37%	0.371	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	167.5	173.7	62	0	0	0	0	111	L245 I246	S234-L245 CarbonylContact O-C 3.6Å; S234-L245 WeakPolarHBondContact O-CA 3.28Å; S234-I246 PolarHBondContact N-O 2.75Å; S234-I246 PolarHBondContact O-N 3.25Å; S234-I246 WeakPolarHBondContact OG-CG2 3.31Å
235	R	98.3	Very high	96	Very high	90 Å²	90	55 Å²	55	34%	0.34	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	132.8	172	-64.4	-172.6	175	92.6	0.1	109.9	L189 D191 L194 P237 E243 L245	L189-R235 PolarHBondContact O-NH2 3.07Å; D191-R235 IonicContact OD1-CZ 2.58Å; D191-R235 IonicContact OD1-NH1 2.67Å; D191-R235 PolarHBondContact OD1-NH1 2.63Å; D191-R235 IonicContact OD1-NH2 2.84Å; D191-R235 PolarHBondContact OD1-NH2 3.44Å; L194-R235 HydrophobicContact CD2-CG 4.45Å; R235-P237 WeakPolarHBondContact O-CD 3.26Å; R235-E243 IonicContact NE-OE1 3.73Å; R235-E243 PolarHBondContact NE-OE1 2.78Å; R235-E243 IonicContact NE-OE2 3.64Å; R235-L245 HydrophobicContact CG-CD2 3.94Å
236	L	97.3	Very high	96	Very high	19 Å²	19	51.9 Å²	51.9	10%	0.099	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	118.5	173.1	-178.5	66.5	0	0	0	108.6	V169 V238 Y244 I246 I337	V169-L236 HydrophobicContact CG1-CD2 3.66Å; V169-L236 HydrophobicContact CG2-CD2 4.21Å; L236-V238 HydrophobicContact CD2-CG1 4.01Å; L236-V238 HydrophobicContact CG-CG1 3.98Å; L236-V238 PolarHBondContact O-N 2.91Å; L236-V238 VanDerWaalsContact O-N 3.12Å; L236-Y244 PolarHBondContact N-O 3.04Å; L236-I246 HydrophobicContact CB-CB 4.26Å; L236-I246 HydrophobicContact CB-CG2 4.21Å; L236-I246 HydrophobicContact CD1-CB 4.49Å; L236-I246 HydrophobicContact CD1-CD1 4.39Å; L236-I246 HydrophobicContact CD1-CG2 4.39Å; L236-I337 HydrophobicContact CD2-CG2 4.05Å
237	P	94.1	Very high	96	Very high	123 Å²	123	50 Å²	50	80%	0.799	27%	0.265	S	S	*	.			trans	-64.2	115.4	175.2	-21.1	33.8	0	0	0	110.4	R235	R235-P237 WeakPolarHBondContact O-CD 3.26Å
238	V	90.8	Very high	96	Very high	41 Å²	41	46.6 Å²	46.6	25%	0.248	26%	0.255	C	S	.	.			trans	-129.8	148.1	178.3	-64.5	0	0	0	0	109.9	L236 A241 P242 Y244 I341	L236-V238 HydrophobicContact CD2-CG1 4.01Å; L236-V238 HydrophobicContact CG-CG1 3.98Å; L236-V238 PolarHBondContact O-N 2.91Å; L236-V238 VanDerWaalsContact O-N 3.12Å; V238-A241 HydrophobicContact CB-CB 4.22Å; V238-A241 HydrophobicContact CG2-CB 3.99Å; V238-P242 VanDerWaalsContact CG2-O 3.3Å; V238-P242 WeakPolarHBondContact CG2-O 3.4Å; V238-Y244 HydrophobicContact CG2-CD2 4.29Å; V238-I341 HydrophobicContact CB-CD1 4.28Å; V238-I341 HydrophobicContact CG1-CD1 3.52Å
239	I	86.4	Confident	96	Very high	149 Å²	149	46.6 Å²	46.6	76%	0.764	26%	0.255	S	S	*	.	S	Bend	trans	-111.4	137.7	-178.8	-58.2	174.7	0	0	0	108.6	A241	I239-A241 PolarHBondContact O-N 3.14Å
240	N	87.8	Confident	96	Very high	152 Å²	152	45.4 Å²	45.4	81%	0.813	25%	0.248	S	C	*	.	S	Bend	trans	53.6	36.6	178.8	-59.1	-32.3	0	0	0	113	K345	N240-K345 PolarHBondContact O-NZ 3.21Å
241	A	90.7	Very high	96	Very high	29 Å²	29	41.5 Å²	41.5	24%	0.24	23%	0.229	C	C	.	.	S	Bend	trans	-140.4	159.6	177.7	0	0	0	0	0	109.7	V238 I239 I341	V238-A241 HydrophobicContact CB-CB 4.22Å; V238-A241 HydrophobicContact CG2-CB 3.99Å; I239-A241 PolarHBondContact O-N 3.14Å; A241-I341 HydrophobicContact CB-CG2 3.86Å
242	P	92.9	Very high	96	Very high	15 Å²	15	46.3 Å²	46.3	10%	0.097	25%	0.251	C	S	.	.			trans	-56.9	169.6	168.8	-22.2	34.5	0	0	0	111	V238 Y244	V238-P242 VanDerWaalsContact CG2-O 3.3Å; V238-P242 WeakPolarHBondContact CG2-O 3.4Å; P242-Y244 VanDerWaalsContact O-CD2 3.3Å; P242-Y244 WeakPolarHBondContact O-CD2 3.35Å; P242-Y244 PolarHBondContact O-N 2.88Å
243	E	95.8	Very high	96	Very high	32 Å²	32	45 Å²	45	15%	0.15	25%	0.248	C	C	.	.			trans	-64	129.8	176	-172.6	174.3	115	0	0	110.9	A172 H188 L189 R235	A172-E243 HydrophobicContact CB-CB 3.81Å; A172-E243 HydrophobicContact CB-CG 3.84Å; A172-E243 WeakPolarHBondContact CB-O 3.49Å; A172-E243 PolarHBondContact N-O 2.96Å; H188-E243 IonicContact CE1-OE2 3.73Å; H188-E243 IonicContact CG-OE2 2.71Å; H188-E243 IonicContact ND1-OE2 2.87Å; H188-E243 PolarHBondContact ND1-OE2 3.31Å; L189-E243 WeakPolarHBondContact CB-OE1 3.22Å; L189-E243 PolarHBondContact N-OE1 3.45Å; R235-E243 IonicContact NE-OE1 3.73Å; R235-E243 PolarHBondContact NE-OE1 2.78Å; R235-E243 IonicContact NE-OE2 3.64Å
244	Y	97.6	Very high	96	Very high	5 Å²	5	46.5 Å²	46.5	2%	0.02	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	149.1	173.4	-86.4	-108	0	0	0	110.7	V169 L170 P171 L236 V238 P242 I341 D344	V169-Y244 HydrophobicContact CG1-CD1 3.73Å; V169-Y244 HydrophobicContact CG1-CE1 4.4Å; L170-Y244 WeakPolarHBondContact O-CA 3.15Å; L170-Y244 WeakPolarHBondContact O-CD1 3.46Å; P171-Y244 HydrophobicContact CB-CE1 4.49Å; P171-Y244 HydrophobicContact CG-CE1 3.82Å; P171-Y244 HydrophobicContact CG-CE2 4.42Å; L236-Y244 PolarHBondContact N-O 3.04Å; V238-Y244 HydrophobicContact CG2-CD2 4.29Å; P242-Y244 VanDerWaalsContact O-CD2 3.3Å; P242-Y244 WeakPolarHBondContact O-CD2 3.35Å; P242-Y244 PolarHBondContact O-N 2.88Å; Y244-I341 HydrophobicContact CD1-CG1 4.24Å; Y244-I341 HydrophobicContact CD2-CG1 4.47Å; Y244-I341 HydrophobicContact CE1-CG1 3.92Å; Y244-I341 HydrophobicContact CE2-CG1 4.21Å; Y244-I341 HydrophobicContact CE2-CG2 4.11Å; Y244-D344 WeakPolarHBondContact OH-CB 3.44Å; Y244-D344 PolarHBondContact OH-OD2 3.12Å
245	L	98.3	Very high	95.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	156.1	172.4	-56	175.2	0	0	0	109.9	V169 L170 A172 F175 L189 I197 S234 R235	V169-L245 WeakPolarHBondContact CA-O 3.42Å; L170-L245 HydrophobicContact CD2-CB 3.86Å; L170-L245 PolarHBondContact N-O 3.05Å; L170-L245 VanDerWaalsContact N-O 3.15Å; L170-L245 PolarHBondContact O-N 3.17Å; A172-L245 HydrophobicContact CB-CD1 4.44Å; A172-L245 HydrophobicContact CB-CG 4.22Å; F175-L245 HydrophobicContact CD2-CD1 3.57Å; F175-L245 HydrophobicContact CE2-CD1 3.75Å; L189-L245 HydrophobicContact CD2-CD1 3.82Å; L189-L245 HydrophobicContact CD2-CD2 4.31Å; I197-L245 HydrophobicContact CD1-CD1 4.31Å; S234-L245 CarbonylContact O-C 3.6Å; S234-L245 WeakPolarHBondContact O-CA 3.28Å; R235-L245 HydrophobicContact CG-CD2 3.94Å
246	I	98.6	Very high	95.8	Very high	22 Å²	22	44.5 Å²	44.5	11%	0.113	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	120.6	171	-174.4	167.5	0	0	0	109.3	Y168 V169 C233 S234 L236	Y168-I246 WeakPolarHBondContact O-CA 3.37Å; V169-I246 HydrophobicContact CG2-CB 4.35Å; V169-I246 HydrophobicContact CG2-CD1 4.07Å; V169-I246 HydrophobicContact CG2-CG1 4.01Å; C233-I246 WeakPolarHBondContact CA-O 3.07Å; S234-I246 PolarHBondContact N-O 2.75Å; S234-I246 PolarHBondContact O-N 3.25Å; S234-I246 WeakPolarHBondContact OG-CG2 3.31Å; L236-I246 HydrophobicContact CB-CB 4.26Å; L236-I246 HydrophobicContact CB-CG2 4.21Å; L236-I246 HydrophobicContact CD1-CB 4.49Å; L236-I246 HydrophobicContact CD1-CD1 4.39Å; L236-I246 HydrophobicContact CD1-CG2 4.39Å
247	V	98.9	Very high	95.8	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.006	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	114.1	176.3	-168.1	0	0	0	0	109	S167 Y168 L170 L201 N232 C233 F249 I263	S167-V247 CarbonylContact C-O 3.57Å; S167-V247 WeakPolarHBondContact CA-O 3.23Å; Y168-V247 PolarHBondContact N-O 2.96Å; Y168-V247 PolarHBondContact O-N 3.3Å; L170-V247 HydrophobicContact CD2-CG2 4.18Å; L201-V247 HydrophobicContact CD1-CG1 3.59Å; L201-V247 HydrophobicContact CD2-CG1 4.13Å; N232-V247 CarbonylContact O-C 3.46Å; N232-V247 VanDerWaalsContact O-CA 3.31Å; N232-V247 WeakPolarHBondContact O-CA 3.36Å; N232-V247 WeakPolarHBondContact O-CG1 3.36Å; C233-V247 HydrophobicContact CB-CG2 4.17Å; V247-F249 HydrophobicContact CB-CE2 3.86Å; V247-F249 HydrophobicContact CB-CZ 4.2Å; V247-F249 HydrophobicContact CG1-CD2 4.34Å; V247-F249 HydrophobicContact CG1-CE1 4.2Å; V247-F249 HydrophobicContact CG1-CE2 3.48Å; V247-F249 VanDerWaalsContact CG1-CE2 3.48Å; V247-F249 HydrophobicContact CG1-CZ 3.4Å; V247-I263 HydrophobicContact CB-CD1 3.76Å; V247-I263 HydrophobicContact CG1-CD1 3.88Å; V247-I263 HydrophobicContact CG2-CD1 3.75Å
248	S	98.8	Very high	96	Very high	21 Å²	21	40 Å²	40	15%	0.147	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	133.5	178.6	179.7	0	0	0	0	111	C231 N232	C231-S248 VanDerWaalsContact CA-O 3.32Å; C231-S248 WeakPolarHBondContact CA-O 3.36Å; N232-S248 PolarHBondContact N-O 2.99Å; N232-S248 VanDerWaalsContact N-O 3.09Å; N232-S248 PolarHBondContact O-N 3.27Å; N232-S248 WeakPolarHBondContact OD1-CB 3.3Å
249	F	98.8	Very high	96.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	125.5	174.3	-58.4	-90.5	0	0	0	109.6	R165 Y166 L201 C231 V247 F254 I259 M262 I263	R165-F249 CarbonylContact C-O 3.51Å; R165-F249 VanDerWaalsContact CA-O 3.26Å; R165-F249 WeakPolarHBondContact CA-O 3.41Å; Y166-F249 PolarHBondContact N-O 3.09Å; Y166-F249 PolarHBondContact O-N 2.71Å; L201-F249 HydrophobicContact CD2-CE1 4.43Å; L201-F249 HydrophobicContact CD2-CZ 4.49Å; C231-F249 HydrophobicContact CB-CD1 4.45Å; C231-F249 WeakPolarHBondContact SG-CD1 3.2Å; C231-F249 WeakPolarHBondContact SG-CE1 3.48Å; V247-F249 HydrophobicContact CB-CE2 3.86Å; V247-F249 HydrophobicContact CB-CZ 4.2Å; V247-F249 HydrophobicContact CG1-CD2 4.34Å; V247-F249 HydrophobicContact CG1-CE1 4.2Å; V247-F249 HydrophobicContact CG1-CE2 3.48Å; V247-F249 VanDerWaalsContact CG1-CE2 3.48Å; V247-F249 HydrophobicContact CG1-CZ 3.4Å; F249-F254 HydrophobicContact CB-CE1 4.26Å; F249-F254 HydrophobicContact CB-CZ 4.2Å; F249-I259 HydrophobicContact CB-CD1 4.39Å; F249-I259 HydrophobicContact CD2-CG2 3.58Å; F249-I259 HydrophobicContact CE2-CG2 3.51Å; F249-I259 HydrophobicContact CG-CG2 4.14Å; F249-I259 HydrophobicContact CZ-CG2 4.02Å; F249-M262 HydrophobicContact CD1-CE 3.67Å; F249-M262 HydrophobicContact CE1-CB 4.47Å; F249-M262 HydrophobicContact CE1-CE 3.59Å; F249-I263 HydrophobicContact CE2-CD1 3.75Å; F249-I263 HydrophobicContact CE2-CG1 4.06Å; F249-I263 HydrophobicContact CZ-CD1 3.5Å; F249-I263 VanDerWaalsContact CZ-CD1 3.5Å; F249-I263 HydrophobicContact CZ-CG1 3.86Å
250	K	98.8	Very high	96.9	Very high	43 Å²	43	32.7 Å²	32.7	19%	0.187	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	126.3	168.8	-172.2	-176.8	172.7	-173	0	109.1	R164 M229 E230	R164-K250 WeakPolarHBondContact O-CA 3.45Å; M229-K250 HydrophobicContact CB-CB 4.46Å; M229-K250 HydrophobicContact CB-CD 4.44Å; M229-K250 HydrophobicContact CB-CG 4.32Å; M229-K250 WeakPolarHBondContact CB-O 3.43Å; M229-K250 PolarHBondContact N-O 2.9Å; M229-K250 HydrophobicContact SD-CD 4.37Å; M229-K250 HydrophobicContact SD-CG 4.14Å; E230-K250 HydrophobicContact CB-CB 4.09Å; E230-K250 HydrophobicContact CG-CD 4.45Å; E230-K250 PolarHBondContact N-O 2.85Å; E230-K250 PolarHBondContact O-N 2.9Å; E230-K250 WeakPolarHBondContact OE1-CD 3.41Å; E230-K250 IonicContact OE1-NZ 2.72Å; E230-K250 PolarHBondContact OE1-NZ 3.31Å
251	G	98.7	Very high	97.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	157.2	-178.3	0	0	0	0	0	111.7	S163 R164 Y227 S253	S163-G251 CarbonylContact C-O 3.52Å; S163-G251 VanDerWaalsContact CA-O 3.29Å; S163-G251 WeakPolarHBondContact CA-O 3.22Å; S163-G251 VanDerWaalsContact CB-O 3.32Å; S163-G251 WeakPolarHBondContact CB-O 3.32Å; R164-G251 PolarHBondContact N-O 2.94Å; R164-G251 PolarHBondContact O-N 2.82Å; Y227-G251 WeakPolarHBondContact O-CA 3.41Å; G251-S253 VanDerWaalsContact C-N 3.32Å; G251-S253 PolarHBondContact O-N 3.01Å
252	Q	98.3	Very high	97.8	Very high	106 Å²	106	25.5 Å²	25.5	50%	0.495	13%	0.127	S	C	.	.	S	Bend	trans	-60.8	-45.8	176.9	-177	-176.5	-24.5	0	0	110.3	R164 Y227	R164-Q252 PolarHBondContact NH1-O 2.9Å; Y227-Q252 PolarHBondContact O-N 3.05Å
253	S	97.8	Very high	98.1	Very high	38 Å²	38	24.9 Å²	24.9	27%	0.266	12%	0.122	S	C	.	.			trans	-158.7	166.8	171.7	60.4	0	0	0	0	110.2	R226 G251	R226-S253 WeakPolarHBondContact CD-O 3.47Å; R226-S253 WeakPolarHBondContact CD-OG 3.41Å; R226-S253 PolarHBondContact NE-OG 3.07Å; G251-S253 VanDerWaalsContact C-N 3.32Å; G251-S253 PolarHBondContact O-N 3.01Å
254	F	98.2	Very high	98.2	Very high	37 Å²	37	23.6 Å²	23.6	16%	0.162	12%	0.118	C	C	.	.			trans	-128.5	150.9	-179.1	-59.9	-90.7	0	0	0	110.7	R164 Y166 I228 F249 I259	R164-F254 HydrophobicContact CB-CE2 4.21Å; Y166-F254 AromaticContact CD2-CD2 3.92Å; Y166-F254 HydrophobicContact CD2-CD2 3.92Å; Y166-F254 AromaticContact CD2-CE2 3.69Å; Y166-F254 HydrophobicContact CD2-CE2 3.69Å; Y166-F254 HydrophobicContact CD2-CZ 4.3Å; Y166-F254 AromaticContact CE2-CD2 3.78Å; Y166-F254 HydrophobicContact CE2-CD2 3.78Å; Y166-F254 AromaticContact CE2-CE2 3.97Å; Y166-F254 HydrophobicContact CE2-CE2 3.97Å; I228-F254 HydrophobicContact CD1-CD1 4.05Å; I228-F254 HydrophobicContact CD1-CE1 3.54Å; I228-F254 HydrophobicContact CD1-CZ 4.28Å; F249-F254 HydrophobicContact CB-CE1 4.26Å; F249-F254 HydrophobicContact CB-CZ 4.2Å; F254-I259 HydrophobicContact CD1-CD1 3.71Å; F254-I259 HydrophobicContact CD1-CG1 3.57Å; F254-I259 HydrophobicContact CD2-CD1 4.39Å; F254-I259 HydrophobicContact CE1-CD1 3.73Å; F254-I259 HydrophobicContact CE1-CG1 3.8Å; F254-I259 HydrophobicContact CE2-CD1 4.44Å; F254-I259 HydrophobicContact CG-CD1 4.04Å; F254-I259 HydrophobicContact CG-CG1 4.24Å; F254-I259 HydrophobicContact CZ-CD1 4.11Å
255	L	97.8	Very high	98.3	Very high	17 Å²	17	23.4 Å²	23.4	9%	0.089	12%	0.117	C	C	.	.			trans	-81.7	162.8	168.8	-69.1	163.4	0	0	0	110.8	F210 T214 K217 R226 H257 Q258	F210-L255 HydrophobicContact CB-CD1 3.79Å; T214-L255 HydrophobicContact CG2-CB 4.38Å; T214-L255 HydrophobicContact CG2-CD1 3.82Å; T214-L255 HydrophobicContact CG2-CD2 4.49Å; T214-L255 HydrophobicContact CG2-CG 4.47Å; K217-L255 HydrophobicContact CD-CD2 3.67Å; R226-L255 HydrophobicContact CG-CD1 4.42Å; R226-L255 HydrophobicContact CG-CG 4.25Å; L255-H257 PolarHBondContact O-N 2.6Å; L255-Q258 HydrophobicContact CB-CB 4.03Å; L255-Q258 WeakPolarHBondContact O-CB 3.43Å; L255-Q258 PolarHBondContact O-N 3.18Å; L255-Q258 VanDerWaalsContact O-N 3.17Å
256	I	96.3	Very high	98.3	Very high	85 Å²	85	23.4 Å²	23.4	44%	0.436	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	131.5	173.5	-172.4	170.8	0	0	0	109.7	T214 Q258	T214-I256 WeakPolarHBondContact OG1-CG2 3.24Å; T214-I256 PolarHBondContact OG1-O 3.24Å; I256-Q258 PolarHBondContact O-N 3.47Å
257	H	96.6	Very high	98.3	Very high	46 Å²	46	23.8 Å²	23.8	21%	0.213	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	2.2	-176.3	-46.9	140.6	0	0	0	117.4	D104 L255 I259 R260 K261 M292	D104-H257 IonicContact OD2-CD2 2.74Å; D104-H257 PolarHBondContact OD2-CD2 3.01Å; D104-H257 VanDerWaalsContact OD2-CD2 3.26Å; D104-H257 IonicContact OD2-NE2 2.65Å; L255-H257 PolarHBondContact O-N 2.6Å; H257-I259 PolarHBondContact O-N 2.94Å; H257-R260 PolarHBondContact O-N 3.33Å; H257-R260 VanDerWaalsContact O-N 3.16Å; H257-K261 PolarHBondContact O-N 3.34Å; H257-M292 HydrophobicContact CB-SD 3.68Å; H257-M292 VanDerWaalsContact CG-SD 3.57Å
258	Q	98.3	Very high	98.2	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-53.1	-54.8	-171.5	-170.6	-174.5	-29.9	0	0	112.5	F210 F213 L255 I256 R260 K261 M262	F210-Q258 HydrophobicContact CB-CG 4.33Å; F210-Q258 HydrophobicContact CD1-CG 3.83Å; F210-Q258 HydrophobicContact CE1-CG 4.46Å; F210-Q258 VanDerWaalsContact CE1-NE2 3.33Å; F210-Q258 HydrophobicContact CG-CG 4.24Å; F210-Q258 VanDerWaalsContact CG-NE2 3.33Å; F213-Q258 HydrophobicContact CB-CG 3.98Å; F213-Q258 WeakPolarHBondContact O-CA 3.42Å; L255-Q258 HydrophobicContact CB-CB 4.03Å; L255-Q258 WeakPolarHBondContact O-CB 3.43Å; L255-Q258 PolarHBondContact O-N 3.18Å; L255-Q258 VanDerWaalsContact O-N 3.17Å; I256-Q258 PolarHBondContact O-N 3.47Å; Q258-R260 VanDerWaalsContact C-N 3.33Å; Q258-R260 PolarHBondContact O-N 2.9Å; Q258-K261 PolarHBondContact O-N 3.13Å; Q258-M262 HydrophobicContact CG-CG 4.48Å; Q258-M262 HydrophobicContact CG-SD 3.74Å; Q258-M262 WeakPolarHBondContact O-CG 3.22Å; Q258-M262 PolarHBondContact O-N 3.35Å
259	I	98.6	Very high	98.2	Very high	6 Å²	6	24.1 Å²	24.1	3%	0.031	12%	0.121	C	C	.	.	H	α-helix	trans	-62	-42.3	-177.6	-60.9	176.7	0	0	0	111	Y166 F249 F254 H257 K261 M262 I263 L298	Y166-I259 VanDerWaalsContact CB-CD1 3.48Å; Y166-I259 HydrophobicContact CD1-CD1 4.03Å; Y166-I259 HydrophobicContact CD2-CD1 3.7Å; Y166-I259 HydrophobicContact CE2-CD1 4.42Å; Y166-I259 HydrophobicContact CG-CD1 3.46Å; Y166-I259 VanDerWaalsContact CG-CD1 3.46Å; F249-I259 HydrophobicContact CB-CD1 4.39Å; F249-I259 HydrophobicContact CD2-CG2 3.58Å; F249-I259 HydrophobicContact CE2-CG2 3.51Å; F249-I259 HydrophobicContact CG-CG2 4.14Å; F249-I259 HydrophobicContact CZ-CG2 4.02Å; F254-I259 HydrophobicContact CD1-CD1 3.71Å; F254-I259 HydrophobicContact CD1-CG1 3.57Å; F254-I259 HydrophobicContact CD2-CD1 4.39Å; F254-I259 HydrophobicContact CE1-CD1 3.73Å; F254-I259 HydrophobicContact CE1-CG1 3.8Å; F254-I259 HydrophobicContact CE2-CD1 4.44Å; F254-I259 HydrophobicContact CG-CD1 4.04Å; F254-I259 HydrophobicContact CG-CG1 4.24Å; F254-I259 HydrophobicContact CZ-CD1 4.11Å; H257-I259 PolarHBondContact O-N 2.94Å; I259-K261 VanDerWaalsContact C-N 3.29Å; I259-K261 PolarHBondContact O-N 2.83Å; I259-M262 WeakPolarHBondContact O-CB 3.37Å; I259-M262 PolarHBondContact O-N 2.73Å; I259-M262 VanDerWaalsContact O-N 3.13Å; I259-I263 HydrophobicContact CG2-CG1 4.46Å; I259-I263 WeakPolarHBondContact O-CG1 3.32Å; I259-I263 PolarHBondContact O-N 3.29Å; I259-L298 HydrophobicContact CB-CD1 4.13Å; I259-L298 HydrophobicContact CD1-CD1 4.2Å; I259-L298 HydrophobicContact CG2-CD1 3.67Å
260	R	98.5	Very high	98.1	Very high	30 Å²	30	24.9 Å²	24.9	11%	0.113	13%	0.125	C	C	.	.	H	α-helix	trans	-63.8	-35.7	-179.8	-64.7	174.5	60.7	-164.3	-4.1	112.1	H257 Q258 G264 M292 A293 P294 L298	H257-R260 PolarHBondContact O-N 3.33Å; H257-R260 VanDerWaalsContact O-N 3.16Å; Q258-R260 VanDerWaalsContact C-N 3.33Å; Q258-R260 PolarHBondContact O-N 2.9Å; R260-G264 PolarHBondContact O-N 3.05Å; R260-M292 HydrophobicContact CB-CG 3.71Å; R260-A293 PolarHBondContact NE-O 3.33Å; R260-A293 PolarHBondContact NH2-O 2.79Å; R260-A293 WeakPolarHBondContact O-CB 3.49Å; R260-A293 PolarHBondContact O-N 2.89Å; R260-P294 PolarHBondContact NE-O 2.88Å; R260-L298 HydrophobicContact CG-CD2 3.96Å
261	K	98.6	Very high	98	Very high	31 Å²	31	24.9 Å²	24.9	14%	0.135	12%	0.123	C	C	.	.	H	α-helix	trans	-74.1	-36.1	173	-81.7	-174	164.4	-169.8	0	112.7	N212 F213 H257 Q258 I259 I263 G264 L265 I290 M292	N212-K261 PolarHBondContact O-NZ 2.59Å; F213-K261 VanDerWaalsContact C-CD 3.49Å; F213-K261 HydrophobicContact CB-CB 4.36Å; F213-K261 HydrophobicContact CD1-CB 3.87Å; F213-K261 WeakPolarHBondContact O-CD 3.5Å; H257-K261 PolarHBondContact O-N 3.34Å; Q258-K261 PolarHBondContact O-N 3.13Å; I259-K261 VanDerWaalsContact C-N 3.29Å; I259-K261 PolarHBondContact O-N 2.83Å; K261-I263 VanDerWaalsContact C-N 3.33Å; K261-G264 PolarHBondContact O-N 2.98Å; K261-L265 WeakPolarHBondContact O-CB 3.49Å; K261-L265 PolarHBondContact O-N 3.09Å; K261-I290 HydrophobicContact CB-CB 4.45Å; K261-I290 HydrophobicContact CB-CG2 3.71Å; K261-I290 HydrophobicContact CD-CB 4.27Å; K261-I290 HydrophobicContact CD-CG2 4.39Å; K261-I290 HydrophobicContact CG-CB 4.39Å; K261-I290 HydrophobicContact CG-CG2 4.03Å; K261-I290 WeakPolarHBondContact O-CG2 3.47Å; K261-M292 HydrophobicContact CG-CB 4.12Å; K261-M292 HydrophobicContact CG-CG 4.35Å
262	M	98.7	Very high	97.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60.5	-44.2	173.3	-68.8	161.4	67.2	0	0	111.2	Y204 F210 F213 F249 Q258 I259 C266	Y204-M262 HydrophobicContact CD1-CE 4.16Å; Y204-M262 HydrophobicContact CD1-CG 4.25Å; Y204-M262 HydrophobicContact CD2-CB 4.17Å; Y204-M262 HydrophobicContact CD2-CE 3.53Å; Y204-M262 HydrophobicContact CD2-CG 4.36Å; Y204-M262 HydrophobicContact CE1-CB 4.35Å; Y204-M262 HydrophobicContact CE1-CG 4.1Å; Y204-M262 HydrophobicContact CE2-CB 3.68Å; Y204-M262 HydrophobicContact CE2-CE 4.22Å; Y204-M262 HydrophobicContact CE2-CG 4.19Å; Y204-M262 HydrophobicContact CG-CE 3.49Å; Y204-M262 VanDerWaalsContact CG-CE 3.49Å; Y204-M262 HydrophobicContact CG-CG 4.37Å; Y204-M262 WeakPolarHBondContact OH-CA 3.16Å; Y204-M262 PolarHBondContact OH-O 2.98Å; F210-M262 HydrophobicContact CD1-SD 4.46Å; F210-M262 HydrophobicContact CE1-CE 4.31Å; F210-M262 HydrophobicContact CE1-CG 4.31Å; F210-M262 HydrophobicContact CE1-SD 3.94Å; F213-M262 HydrophobicContact CD1-CB 4.47Å; F213-M262 HydrophobicContact CD1-CG 3.68Å; F213-M262 HydrophobicContact CE1-CB 4.47Å; F213-M262 HydrophobicContact CE1-CG 3.86Å; F213-M262 HydrophobicContact CG-CG 4.43Å; F249-M262 HydrophobicContact CD1-CE 3.67Å; F249-M262 HydrophobicContact CE1-CB 4.47Å; F249-M262 HydrophobicContact CE1-CE 3.59Å; Q258-M262 HydrophobicContact CG-CG 4.48Å; Q258-M262 HydrophobicContact CG-SD 3.74Å; Q258-M262 WeakPolarHBondContact O-CG 3.22Å; Q258-M262 PolarHBondContact O-N 3.35Å; I259-M262 WeakPolarHBondContact O-CB 3.37Å; I259-M262 PolarHBondContact O-N 2.73Å; I259-M262 VanDerWaalsContact O-N 3.13Å; M262-C266 WeakPolarHBondContact O-CB 3.46Å; M262-C266 PolarHBondContact O-N 2.64Å
263	I	98.7	Very high	97.8	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-63.5	-49	173.7	-67.6	-70.4	0	0	0	111.1	Y168 L170 V247 F249 I259 K261 L265 C266 I267 A293	Y168-I263 HydrophobicContact CD1-CD1 4.14Å; Y168-I263 HydrophobicContact CD1-CG1 4.06Å; Y168-I263 HydrophobicContact CD1-CG2 3.89Å; Y168-I263 HydrophobicContact CD2-CG1 4.12Å; Y168-I263 HydrophobicContact CE1-CG2 3.82Å; Y168-I263 HydrophobicContact CG-CD1 4.06Å; Y168-I263 HydrophobicContact CG-CG1 3.76Å; Y168-I263 HydrophobicContact CG-CG2 4.39Å; L170-I263 HydrophobicContact CD1-CG2 4.35Å; V247-I263 HydrophobicContact CB-CD1 3.76Å; V247-I263 HydrophobicContact CG1-CD1 3.88Å; V247-I263 HydrophobicContact CG2-CD1 3.75Å; F249-I263 HydrophobicContact CE2-CD1 3.75Å; F249-I263 HydrophobicContact CE2-CG1 4.06Å; F249-I263 HydrophobicContact CZ-CD1 3.5Å; F249-I263 VanDerWaalsContact CZ-CD1 3.5Å; F249-I263 HydrophobicContact CZ-CG1 3.86Å; I259-I263 HydrophobicContact CG2-CG1 4.46Å; I259-I263 WeakPolarHBondContact O-CG1 3.32Å; I259-I263 PolarHBondContact O-N 3.29Å; K261-I263 VanDerWaalsContact C-N 3.33Å; I263-L265 VanDerWaalsContact C-N 3.31Å; I263-L265 PolarHBondContact O-N 2.77Å; I263-C266 WeakPolarHBondContact O-CB 3.09Å; I263-C266 PolarHBondContact O-N 3.13Å; I263-C266 VanDerWaalsContact O-N 3.12Å; I263-I267 HydrophobicContact CG2-CD1 3.62Å; I263-I267 HydrophobicContact CG2-CG1 4.27Å; I263-I267 WeakPolarHBondContact O-CG1 3.08Å; I263-I267 PolarHBondContact O-N 2.78Å; I263-A293 HydrophobicContact CB-CB 4.05Å; I263-A293 HydrophobicContact CG2-CB 3.66Å
264	G	98.3	Very high	97.8	Very high	5 Å²	5	27.6 Å²	27.6	5%	0.052	15%	0.149	C	C	.	.	H	α-helix	trans	-58.7	-40.9	-179.3	0	0	0	0	0	113.1	R260 K261 S268	R260-G264 PolarHBondContact O-N 3.05Å; K261-G264 PolarHBondContact O-N 2.98Å; G264-S268 WeakPolarHBondContact O-CB 3.11Å; G264-S268 PolarHBondContact O-N 3.16Å; G264-S268 PolarHBondContact O-OG 3.26Å
265	L	98.5	Very high	97.6	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-66.2	-44.4	174	178.3	57.1	0	0	0	112.1	F213 K261 I263 I267 S268 I269 Y278 M279 V282 I290	F213-L265 HydrophobicContact CE1-CD2 4.04Å; F213-L265 HydrophobicContact CZ-CD2 3.94Å; K261-L265 WeakPolarHBondContact O-CB 3.49Å; K261-L265 PolarHBondContact O-N 3.09Å; I263-L265 VanDerWaalsContact C-N 3.31Å; I263-L265 PolarHBondContact O-N 2.77Å; L265-I267 VanDerWaalsContact C-N 3.34Å; L265-I267 PolarHBondContact O-N 2.99Å; L265-S268 WeakPolarHBondContact O-CB 3.16Å; L265-S268 PolarHBondContact O-N 3.45Å; L265-S268 VanDerWaalsContact O-N 3.11Å; L265-I269 HydrophobicContact CD1-CD1 4Å; L265-I269 HydrophobicContact CD1-CG1 4.17Å; L265-I269 HydrophobicContact CG-CD1 4.06Å; L265-I269 WeakPolarHBondContact O-CG1 3.45Å; L265-I269 PolarHBondContact O-N 3.23Å; L265-Y278 HydrophobicContact CD1-CD1 3.64Å; L265-Y278 HydrophobicContact CD1-CE1 4.18Å; L265-M279 HydrophobicContact CD2-CE 3.83Å; L265-M279 HydrophobicContact CD2-SD 3.77Å; L265-M279 HydrophobicContact CG-CE 4.17Å; L265-V282 HydrophobicContact CD2-CG1 3.69Å; L265-V282 HydrophobicContact CD2-CG2 4.44Å; L265-I290 HydrophobicContact CB-CG2 3.92Å
266	C	98.5	Very high	97.4	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.007	18%	0.175	C	C	.	.	H	α-helix	trans	-57.6	-48.4	177.4	-170.5	0	0	0	0	111	I200 L201 M262 I263 S268 I269 I270	I200-C266 HydrophobicContact CG2-CB 4.42Å; L201-C266 HydrophobicContact CD2-CB 4.29Å; M262-C266 WeakPolarHBondContact O-CB 3.46Å; M262-C266 PolarHBondContact O-N 2.64Å; I263-C266 WeakPolarHBondContact O-CB 3.09Å; I263-C266 PolarHBondContact O-N 3.13Å; I263-C266 VanDerWaalsContact O-N 3.12Å; C266-S268 VanDerWaalsContact C-N 3.3Å; C266-S268 PolarHBondContact O-N 3.28Å; C266-I269 PolarHBondContact O-N 3.16Å; C266-I270 VanDerWaalsContact O-CG1 3.26Å; C266-I270 WeakPolarHBondContact O-CG1 3.44Å; C266-I270 PolarHBondContact O-N 3.33Å; C266-I270 VanDerWaalsContact O-N 3.07Å
267	I	98.2	Very high	97.3	Very high	29 Å²	29	32.1 Å²	32.1	15%	0.149	18%	0.178	C	C	.	.	H	α-helix	trans	-57.4	-44.8	175	-69	169	0	0	0	110.6	L170 C174 F175 I263 L265 I269 I270 R271	L170-I267 HydrophobicContact CD1-CD1 3.84Å; L170-I267 HydrophobicContact CD1-CG1 4.44Å; C174-I267 HydrophobicContact CB-CD1 4.39Å; C174-I267 WeakPolarHBondContact O-CG2 3.45Å; F175-I267 HydrophobicContact CD1-CB 4.49Å; F175-I267 HydrophobicContact CD1-CG1 4.02Å; F175-I267 HydrophobicContact CE1-CB 4.21Å; F175-I267 HydrophobicContact CE1-CG1 3.49Å; F175-I267 VanDerWaalsContact CE1-CG1 3.49Å; F175-I267 HydrophobicContact CE2-CG1 4.5Å; F175-I267 HydrophobicContact CZ-CG1 3.78Å; I263-I267 HydrophobicContact CG2-CD1 3.62Å; I263-I267 HydrophobicContact CG2-CG1 4.27Å; I263-I267 WeakPolarHBondContact O-CG1 3.08Å; I263-I267 PolarHBondContact O-N 2.78Å; L265-I267 VanDerWaalsContact C-N 3.34Å; L265-I267 PolarHBondContact O-N 2.99Å; I267-I269 VanDerWaalsContact C-N 3.31Å; I267-I269 PolarHBondContact O-N 3Å; I267-I270 PolarHBondContact O-N 3.27Å; I267-R271 HydrophobicContact CG2-CG 4Å; I267-R271 VanDerWaalsContact O-CB 3.31Å; I267-R271 WeakPolarHBondContact O-CB 3.28Å; I267-R271 VanDerWaalsContact O-CG 3.24Å; I267-R271 WeakPolarHBondContact O-CG 3.31Å; I267-R271 PolarHBondContact O-N 2.97Å
268	S	98.2	Very high	97.3	Very high	16 Å²	16	33.3 Å²	33.3	11%	0.112	18%	0.181	C	C	.	.	H	α-helix	trans	-63.1	-36.3	-178.3	-59	0	0	0	0	113.1	G264 L265 C266 G272 H273 C274 P291	G264-S268 WeakPolarHBondContact O-CB 3.11Å; G264-S268 PolarHBondContact O-N 3.16Å; G264-S268 PolarHBondContact O-OG 3.26Å; L265-S268 WeakPolarHBondContact O-CB 3.16Å; L265-S268 PolarHBondContact O-N 3.45Å; L265-S268 VanDerWaalsContact O-N 3.11Å; C266-S268 VanDerWaalsContact C-N 3.3Å; C266-S268 PolarHBondContact O-N 3.28Å; S268-G272 PolarHBondContact O-N 2.52Å; S268-H273 WeakPolarHBondContact O-CA 3.48Å; S268-H273 WeakPolarHBondContact O-CB 3.35Å; S268-H273 PolarHBondContact O-N 2.83Å; S268-C274 PolarHBondContact O-N 3.32Å; S268-P291 WeakPolarHBondContact OG-CG 3.47Å
269	I	97.8	Very high	97.2	Very high	14 Å²	14	33.3 Å²	33.3	7%	0.072	18%	0.181	C	C	.	.	H	α-helix	trans	-70.2	-52.8	176.9	-67.6	168.3	0	0	0	110	I200 L265 C266 I267 R271 G272 C274 M279	I200-I269 HydrophobicContact CD1-CG2 3.9Å; I200-I269 HydrophobicContact CG1-CG2 4.16Å; I200-I269 HydrophobicContact CG2-CD1 4.08Å; L265-I269 HydrophobicContact CD1-CD1 4Å; L265-I269 HydrophobicContact CD1-CG1 4.17Å; L265-I269 HydrophobicContact CG-CD1 4.06Å; L265-I269 WeakPolarHBondContact O-CG1 3.45Å; L265-I269 PolarHBondContact O-N 3.23Å; C266-I269 PolarHBondContact O-N 3.16Å; I267-I269 VanDerWaalsContact C-N 3.31Å; I267-I269 PolarHBondContact O-N 3Å; I269-R271 PolarHBondContact O-N 3.4Å; I269-G272 WeakPolarHBondContact O-CA 3.33Å; I269-G272 PolarHBondContact O-N 2.72Å; I269-C274 WeakPolarHBondContact CA-O 3.34Å; I269-M279 HydrophobicContact CD1-CB 4.11Å; I269-M279 HydrophobicContact CD1-CE 3.82Å
270	I	97.5	Very high	96.9	Very high	16 Å²	16	40 Å²	40	8%	0.082	21%	0.206	C	C	.	.	H	α-helix	trans	-64.6	-38.9	-174.7	-61.4	-69	0	0	0	111.8	F175 E196 I197 I200 C266 I267 G272	F175-I270 HydrophobicContact CB-CG2 3.93Å; F175-I270 HydrophobicContact CD1-CB 3.8Å; F175-I270 HydrophobicContact CD1-CG1 4.09Å; F175-I270 HydrophobicContact CD1-CG2 3.78Å; F175-I270 HydrophobicContact CE1-CB 4.48Å; F175-I270 HydrophobicContact CE1-CG1 4.34Å; F175-I270 HydrophobicContact CG-CG2 4.29Å; E196-I270 HydrophobicContact CB-CD1 4.1Å; E196-I270 HydrophobicContact CG-CD1 3.64Å; I197-I270 HydrophobicContact CG1-CD1 3.89Å; I197-I270 HydrophobicContact CG1-CG1 3.82Å; I197-I270 HydrophobicContact CG1-CG2 4.22Å; I200-I270 HydrophobicContact CG1-CD1 4Å; C266-I270 VanDerWaalsContact O-CG1 3.26Å; C266-I270 WeakPolarHBondContact O-CG1 3.44Å; C266-I270 PolarHBondContact O-N 3.33Å; C266-I270 VanDerWaalsContact O-N 3.07Å; I267-I270 PolarHBondContact O-N 3.27Å; I270-G272 PolarHBondContact O-N 3.34Å
271	R	96.7	Very high	96.8	Very high	43 Å²	43	40 Å²	40	16%	0.162	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-18.5	174.1	-69	-175.3	74.3	89	4.2	113.3	F173 C174 A176 L178 Y182 I267 I269	F173-R271 PolarHBondContact O-NH1 2.97Å; C174-R271 VanDerWaalsContact O-CD 3.22Å; C174-R271 WeakPolarHBondContact O-CD 3.47Å; C174-R271 WeakPolarHBondContact O-CG 3.49Å; C174-R271 PolarHBondContact O-NH1 3.43Å; A176-R271 WeakPolarHBondContact O-CG 2.95Å; A176-R271 PolarHBondContact O-NH1 2.65Å; L178-R271 WeakPolarHBondContact CB-O 3.37Å; L178-R271 WeakPolarHBondContact CD1-O 3.39Å; L178-R271 HydrophobicContact CG-CB 4.24Å; L178-R271 VanDerWaalsContact CG-O 3.24Å; L178-R271 WeakPolarHBondContact CG-O 3.3Å; L178-R271 PolarHBondContact N-O 2.88Å; Y182-R271 PolarHBondContact OH-NH1 3.34Å; Y182-R271 PolarHBondContact OH-NH2 3.46Å; I267-R271 HydrophobicContact CG2-CG 4Å; I267-R271 VanDerWaalsContact O-CB 3.31Å; I267-R271 WeakPolarHBondContact O-CB 3.28Å; I267-R271 VanDerWaalsContact O-CG 3.24Å; I267-R271 WeakPolarHBondContact O-CG 3.31Å; I267-R271 PolarHBondContact O-N 2.97Å; I269-R271 PolarHBondContact O-N 3.4Å
272	G	96.6	Very high	96.8	Very high	54 Å²	54	38.5 Å²	38.5	56%	0.557	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.9	19.4	-175	0	0	0	0	0	115.2	S268 I269 I270 C274	S268-G272 PolarHBondContact O-N 2.52Å; I269-G272 WeakPolarHBondContact O-CA 3.33Å; I269-G272 PolarHBondContact O-N 2.72Å; I270-G272 PolarHBondContact O-N 3.34Å; G272-C274 VanDerWaalsContact C-N 3.27Å
273	H	96.6	Very high	96.7	Very high	114 Å²	114	40.6 Å²	40.6	53%	0.528	21%	0.211	S	C	.	.	S	Bend	trans	-69.1	-28.1	172	-75.3	-69.5	0	0	0	112.6	L178 S268	L178-H273 HydrophobicContact CD1-CB 4.37Å; L178-H273 WeakPolarHBondContact CD1-ND1 3.27Å; L178-H273 WeakPolarHBondContact CD2-CE1 3.39Å; L178-H273 WeakPolarHBondContact CD2-NE2 3.38Å; S268-H273 WeakPolarHBondContact O-CA 3.48Å; S268-H273 WeakPolarHBondContact O-CB 3.35Å; S268-H273 PolarHBondContact O-N 2.83Å
274	C	96	Very high	96.6	Very high	32 Å²	32	44.6 Å²	44.6	22%	0.216	23%	0.233	C	C	.	.	S	Bend	trans	-150	160.8	176.1	60.4	0	0	0	0	109.5	S268 I269 G272 Y278	S268-C274 PolarHBondContact O-N 3.32Å; I269-C274 WeakPolarHBondContact CA-O 3.34Å; G272-C274 VanDerWaalsContact C-N 3.27Å; C274-Y278 HydrophobicContact CB-CG 4.18Å
275	T	94.4	Very high	96.6	Very high	92 Å²	92	47.8 Å²	47.8	56%	0.564	25%	0.252	S	S	*	.			trans	-87.7	169	178.8	63.4	0	0	0	0	111.4	D277 Y278	T275-D277 PolarHBondContact O-N 3.19Å; T275-D277 VanDerWaalsContact O-N 3.16Å; T275-D277 PolarHBondContact OG1-N 3.42Å; T275-Y278 VanDerWaalsContact O-CB 3.24Å; T275-Y278 WeakPolarHBondContact O-CB 3.25Å; T275-Y278 PolarHBondContact O-N 2.96Å
276	E	94.1	Very high	96.5	Very high	51 Å²	51	53.6 Å²	53.6	24%	0.238	28%	0.279	C	S	.	.	H	α-helix	trans	-59.2	-21.5	171.9	-169.8	170.6	166.5	0	0	113.1	R199 I200 Y203 Y278 M279	R199-E276 IonicContact CZ-OE1 3.17Å; R199-E276 IonicContact CZ-OE2 3.46Å; R199-E276 VanDerWaalsContact CZ-OE2 3.28Å; R199-E276 IonicContact NH1-OE1 2.73Å; R199-E276 PolarHBondContact NH1-OE1 2.87Å; R199-E276 IonicContact NH1-OE2 2.7Å; R199-E276 PolarHBondContact NH1-OE2 3.35Å; R199-E276 IonicContact NH2-OE2 3.89Å; R199-E276 PolarHBondContact NH2-OE2 2.91Å; I200-E276 HydrophobicContact CD1-CG 4.08Å; Y203-E276 HydrophobicContact CE2-CG 4.09Å; Y203-E276 WeakPolarHBondContact CE2-OE1 3.4Å; Y203-E276 PolarHBondContact OH-OE1 2.97Å; E276-Y278 PolarHBondContact O-N 2.86Å; E276-M279 WeakPolarHBondContact O-CA 3.49Å; E276-M279 WeakPolarHBondContact O-CB 3.21Å; E276-M279 PolarHBondContact O-N 3.4Å
277	D	94.6	Very high	96.4	Very high	92 Å²	92	60.2 Å²	60.2	49%	0.492	30%	0.304	S	S	.	.	H	α-helix	trans	-62.2	-29.3	171.9	-70	-40.9	0	0	0	112.5	T275 M279 R280 S281	T275-D277 PolarHBondContact O-N 3.19Å; T275-D277 VanDerWaalsContact O-N 3.16Å; T275-D277 PolarHBondContact OG1-N 3.42Å; D277-M279 PolarHBondContact O-N 2.91Å; D277-R280 WeakPolarHBondContact O-CB 3.38Å; D277-R280 PolarHBondContact O-N 3Å; D277-R280 IonicContact OD1-CZ 2.82Å; D277-R280 IonicContact OD1-NH1 2.82Å; D277-R280 PolarHBondContact OD1-NH1 2.91Å; D277-S281 PolarHBondContact O-N 3.39Å
278	Y	96	Very high	96.3	Very high	71 Å²	71	60 Å²	60	28%	0.278	31%	0.305	S	S	.	.	H	α-helix	trans	-61.9	-34.8	174	-158.4	-97.4	0	0	0	111	L265 C274 T275 E276 R280 S281 V282 R289	L265-Y278 HydrophobicContact CD1-CD1 3.64Å; L265-Y278 HydrophobicContact CD1-CE1 4.18Å; C274-Y278 HydrophobicContact CB-CG 4.18Å; T275-Y278 VanDerWaalsContact O-CB 3.24Å; T275-Y278 WeakPolarHBondContact O-CB 3.25Å; T275-Y278 PolarHBondContact O-N 2.96Å; E276-Y278 PolarHBondContact O-N 2.86Å; Y278-R280 PolarHBondContact O-N 2.89Å; Y278-S281 PolarHBondContact O-N 3.22Å; Y278-S281 VanDerWaalsContact O-N 3.13Å; Y278-S281 PolarHBondContact O-OG 3.12Å; Y278-V282 HydrophobicContact CD1-CG1 4.28Å; Y278-V282 HydrophobicContact CE1-CG1 4.41Å; Y278-V282 VanDerWaalsContact O-CG1 3.27Å; Y278-V282 WeakPolarHBondContact O-CG1 3.46Å; Y278-V282 PolarHBondContact O-N 2.85Å; Y278-R289 PolarHBondContact OH-N 3.43Å; Y278-R289 PolarHBondContact OH-O 3.21Å
279	M	95.6	Very high	96.2	Very high	0 Å²	0	70 Å²	70	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-60.9	-29.6	173.1	-174.6	62	79.7	0	0	112.3	I200 Y203 Y204 L265 I269 E276 D277 V282 W283	I200-M279 HydrophobicContact CG2-CE 3.89Å; Y203-M279 HydrophobicContact CD1-CG 3.63Å; Y203-M279 HydrophobicContact CD2-CG 3.96Å; Y203-M279 HydrophobicContact CE1-CG 4.22Å; Y203-M279 HydrophobicContact CE2-CG 4.5Å; Y203-M279 HydrophobicContact CG-CG 3.47Å; Y203-M279 VanDerWaalsContact CG-CG 3.47Å; Y203-M279 HydrophobicContact CG-SD 4.27Å; Y204-M279 HydrophobicContact CD1-SD 4.49Å; Y204-M279 HydrophobicContact CE1-CE 3.77Å; Y204-M279 HydrophobicContact CE1-SD 3.77Å; L265-M279 HydrophobicContact CD2-CE 3.83Å; L265-M279 HydrophobicContact CD2-SD 3.77Å; L265-M279 HydrophobicContact CG-CE 4.17Å; I269-M279 HydrophobicContact CD1-CB 4.11Å; I269-M279 HydrophobicContact CD1-CE 3.82Å; E276-M279 WeakPolarHBondContact O-CA 3.49Å; E276-M279 WeakPolarHBondContact O-CB 3.21Å; E276-M279 PolarHBondContact O-N 3.4Å; D277-M279 PolarHBondContact O-N 2.91Å; M279-V282 VanDerWaalsContact O-CG2 3.26Å; M279-V282 WeakPolarHBondContact O-CG2 3.16Å; M279-V282 HydrophobicContact SD-CG2 4.21Å; M279-W283 PolarHBondContact O-NE1 2.74Å; M279-W283 HydrophobicContact SD-CZ2 4.2Å
280	R	93.8	Very high	96.2	Very high	148 Å²	148	70 Å²	70	56%	0.558	34%	0.34	S	S	*	.	H	α-helix	trans	-72.6	-39.4	175.6	-62.1	176	179.2	147.2	-2.5	111.2	D277 Y278 V282 W283	D277-R280 WeakPolarHBondContact O-CB 3.38Å; D277-R280 PolarHBondContact O-N 3Å; D277-R280 IonicContact OD1-CZ 2.82Å; D277-R280 IonicContact OD1-NH1 2.82Å; D277-R280 PolarHBondContact OD1-NH1 2.91Å; Y278-R280 PolarHBondContact O-N 2.89Å; R280-V282 VanDerWaalsContact C-N 3.28Å; R280-V282 PolarHBondContact O-N 3.3Å; R280-W283 PolarHBondContact O-N 2.99Å
281	S	96.6	Very high	96.1	Very high	28 Å²	28	72.2 Å²	72.2	20%	0.196	36%	0.355	C	S	.	.	H	α-helix	trans	-64.2	-29.8	-178.5	77.2	0	0	0	0	113.6	D277 Y278 W283 L284	D277-S281 PolarHBondContact O-N 3.39Å; Y278-S281 PolarHBondContact O-N 3.22Å; Y278-S281 VanDerWaalsContact O-N 3.13Å; Y278-S281 PolarHBondContact O-OG 3.12Å; S281-W283 PolarHBondContact O-N 3.11Å; S281-W283 VanDerWaalsContact O-N 3.16Å; S281-L284 WeakPolarHBondContact O-CB 3.31Å; S281-L284 PolarHBondContact O-N 2.89Å; S281-L284 VanDerWaalsContact O-N 3.12Å
282	V	97.5	Very high	96.2	Very high	0 Å²	0	74.3 Å²	74.3	0%	0	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-19	-176.3	-47.2	0	0	0	0	113.4	N212 F213 L265 Y278 M279 R280 V288 I290	N212-V282 PolarHBondContact ND2-O 3.28Å; F213-V282 HydrophobicContact CE2-CB 4.01Å; F213-V282 HydrophobicContact CE2-CG2 3.6Å; F213-V282 HydrophobicContact CZ-CB 4.1Å; F213-V282 HydrophobicContact CZ-CG2 3.63Å; L265-V282 HydrophobicContact CD2-CG1 3.69Å; L265-V282 HydrophobicContact CD2-CG2 4.44Å; Y278-V282 HydrophobicContact CD1-CG1 4.28Å; Y278-V282 HydrophobicContact CE1-CG1 4.41Å; Y278-V282 VanDerWaalsContact O-CG1 3.27Å; Y278-V282 WeakPolarHBondContact O-CG1 3.46Å; Y278-V282 PolarHBondContact O-N 2.85Å; M279-V282 VanDerWaalsContact O-CG2 3.26Å; M279-V282 WeakPolarHBondContact O-CG2 3.16Å; M279-V282 HydrophobicContact SD-CG2 4.21Å; R280-V282 VanDerWaalsContact C-N 3.28Å; R280-V282 PolarHBondContact O-N 3.3Å; V282-V288 HydrophobicContact CB-CG2 4.2Å; V282-V288 HydrophobicContact CG1-CG2 3.94Å; V282-I290 HydrophobicContact CB-CD1 4.16Å; V282-I290 HydrophobicContact CG1-CD1 3.94Å; V282-I290 HydrophobicContact CG1-CG1 4.43Å
283	W	97.3	Very high	96.2	Very high	44 Å²	44	72.1 Å²	72.1	17%	0.167	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-9.2	178.9	-50.7	121	0	0	0	113.5	Y203 Y204 H208 F210 F213 Y219 M279 R280 S281	Y203-W283 WeakPolarHBondContact O-CZ2 3.44Å; Y204-W283 AromaticContact CD1-CH2 3.84Å; Y204-W283 HydrophobicContact CD1-CH2 3.84Å; Y204-W283 AromaticContact CD1-CZ2 3.83Å; Y204-W283 HydrophobicContact CD1-CZ2 3.83Å; Y204-W283 HydrophobicContact CE1-CH2 4.33Å; Y204-W283 HydrophobicContact CE1-CZ2 4.19Å; H208-W283 HydrophobicContact CB-CE3 3.84Å; H208-W283 HydrophobicContact CB-CH2 4.03Å; H208-W283 HydrophobicContact CB-CZ3 3.53Å; F210-W283 HydrophobicContact CD1-CH2 4.11Å; F210-W283 AromaticContact CD1-CZ3 3.98Å; F210-W283 HydrophobicContact CD1-CZ3 3.98Å; F210-W283 AromaticContact CE1-CH2 3.66Å; F210-W283 HydrophobicContact CE1-CH2 3.66Å; F210-W283 AromaticContact CE1-CZ3 3.96Å; F210-W283 HydrophobicContact CE1-CZ3 3.96Å; F210-W283 HydrophobicContact CG-CZ3 4.26Å; F210-W283 AromaticContact CZ-CH2 3.96Å; F210-W283 HydrophobicContact CZ-CH2 3.96Å; F210-W283 HydrophobicContact CZ-CZ3 4.23Å; F213-W283 HydrophobicContact CD2-CH2 4.43Å; F213-W283 HydrophobicContact CD2-CZ3 4.15Å; F213-W283 HydrophobicContact CE2-CE3 4.2Å; F213-W283 AromaticContact CE2-CH2 3.57Å; F213-W283 HydrophobicContact CE2-CH2 3.57Å; F213-W283 HydrophobicContact CE2-CZ2 4.26Å; F213-W283 AromaticContact CE2-CZ3 3.53Å; F213-W283 HydrophobicContact CE2-CZ3 3.53Å; F213-W283 HydrophobicContact CZ-CH2 4.03Å; F213-W283 HydrophobicContact CZ-CZ2 4.41Å; F213-W283 HydrophobicContact CZ-CZ3 4.41Å; Y219-W283 WeakPolarHBondContact CE2-O 3.29Å; M279-W283 PolarHBondContact O-NE1 2.74Å; M279-W283 HydrophobicContact SD-CZ2 4.2Å; R280-W283 PolarHBondContact O-N 2.99Å; S281-W283 PolarHBondContact O-N 3.11Å; S281-W283 VanDerWaalsContact O-N 3.16Å
284	L	97	Very high	96.2	Very high	86 Å²	86	69.4 Å²	69.4	45%	0.45	34%	0.337	S	S	.	.	S	Bend	trans	-81.8	161.3	178.6	-59.7	179.8	0	0	0	111.5	F211 S281 E286	F211-L284 WeakPolarHBondContact CE1-O 3.47Å; F211-L284 WeakPolarHBondContact CZ-O 3.39Å; S281-L284 WeakPolarHBondContact O-CB 3.31Å; S281-L284 PolarHBondContact O-N 2.89Å; S281-L284 VanDerWaalsContact O-N 3.12Å; L284-E286 VanDerWaalsContact CB-OE2 3.26Å; L284-E286 WeakPolarHBondContact CB-OE2 3.46Å; L284-E286 PolarHBondContact O-N 3.07Å
285	P	97	Very high	96.2	Very high	71 Å²	71	68.6 Å²	68.6	46%	0.461	33%	0.333	S	S	.	.	S	Bend	trans	-64	-20.2	-179.4	-20.8	32.8	0	0	0	114.9	F211 Y219	F211-P285 WeakPolarHBondContact CZ-O 3.45Å; Y219-P285 HydrophobicContact CD1-CB 3.94Å; Y219-P285 HydrophobicContact CD1-CG 3.99Å; Y219-P285 HydrophobicContact CD2-CB 4.13Å; Y219-P285 HydrophobicContact CD2-CG 4.32Å; Y219-P285 HydrophobicContact CE1-CB 4.26Å; Y219-P285 HydrophobicContact CE1-CG 3.78Å; Y219-P285 HydrophobicContact CE2-CB 4.42Å; Y219-P285 HydrophobicContact CE2-CG 4.11Å; Y219-P285 HydrophobicContact CG-CB 3.87Å; Y219-P285 HydrophobicContact CG-CG 4.25Å
286	E	96.7	Very high	96.3	Very high	123 Å²	123	65.2 Å²	65.2	58%	0.575	31%	0.311	S	S	*	.	S	Bend	trans	-67.7	137.3	177.4	-59.4	90.9	-167.7	0	0	111.5	N212 L284 V288	N212-E286 PolarHBondContact ND2-O 3.44Å; L284-E286 VanDerWaalsContact CB-OE2 3.26Å; L284-E286 WeakPolarHBondContact CB-OE2 3.46Å; L284-E286 PolarHBondContact O-N 3.07Å; E286-V288 PolarHBondContact O-N 2.94Å
287	R	96.8	Very high	96.4	Very high	140 Å²	140	62.9 Å²	62.9	53%	0.528	30%	0.301	S	S	.	.			trans	-73.8	121.7	175.2	-178.4	166	-65.7	-76.7	-1.1	110.1	N212 K217	N212-R287 WeakPolarHBondContact OD1-CA 3.44Å; K217-R287 PolarHBondContact O-NH2 3.01Å
288	V	96	Very high	96.6	Very high	26 Å²	26	59 Å²	59	16%	0.158	28%	0.28	C	S	.	.			trans	-112.5	157.2	175	-54.9	0	0	0	0	111.6	N212 V282 E286 I290	N212-V288 HydrophobicContact CB-CG2 4.13Å; N212-V288 PolarHBondContact OD1-N 3.4Å; V282-V288 HydrophobicContact CB-CG2 4.2Å; V282-V288 HydrophobicContact CG1-CG2 3.94Å; E286-V288 PolarHBondContact O-N 2.94Å; V288-I290 HydrophobicContact CG2-CD1 4.36Å; V288-I290 HydrophobicContact CG2-CG1 4.15Å
289	R	95.7	Very high	96.7	Very high	224 Å²	224	55.6 Å²	55.6	85%	0.845	27%	0.266	S	S	*	.			trans	-87.7	125.6	177.3	-70.3	-175	178.3	176.1	0.5	109.3	Y278	Y278-R289 PolarHBondContact OH-N 3.43Å; Y278-R289 PolarHBondContact OH-O 3.21Å
290	I	97.7	Very high	96.9	Very high	15 Å²	15	55.6 Å²	55.6	8%	0.077	27%	0.266	C	S	.	.			trans	-121.8	122.3	176	-60.8	178	0	0	0	107.4	N212 F213 K261 L265 V282 V288	N212-I290 HydrophobicContact CB-CD1 4.01Å; F213-I290 HydrophobicContact CD1-CD1 3.86Å; F213-I290 HydrophobicContact CD2-CD1 4.27Å; F213-I290 HydrophobicContact CE1-CD1 3.72Å; F213-I290 HydrophobicContact CE2-CD1 4.15Å; F213-I290 HydrophobicContact CG-CD1 4.13Å; F213-I290 HydrophobicContact CZ-CD1 3.87Å; K261-I290 HydrophobicContact CB-CB 4.45Å; K261-I290 HydrophobicContact CB-CG2 3.71Å; K261-I290 HydrophobicContact CD-CB 4.27Å; K261-I290 HydrophobicContact CD-CG2 4.39Å; K261-I290 HydrophobicContact CG-CB 4.39Å; K261-I290 HydrophobicContact CG-CG2 4.03Å; K261-I290 WeakPolarHBondContact O-CG2 3.47Å; L265-I290 HydrophobicContact CB-CG2 3.92Å; V282-I290 HydrophobicContact CB-CD1 4.16Å; V282-I290 HydrophobicContact CG1-CD1 3.94Å; V282-I290 HydrophobicContact CG1-CG1 4.43Å; V288-I290 HydrophobicContact CG2-CD1 4.36Å; V288-I290 HydrophobicContact CG2-CG1 4.15Å
291	P	96.6	Very high	97.1	Very high	63 Å²	63	49.3 Å²	49.3	41%	0.409	24%	0.244	S	C	.	.			trans	-62.2	147.3	174.7	24.1	-29.2	0	0	0	110	S268	S268-P291 WeakPolarHBondContact OG-CG 3.47Å
292	M	97	Very high	97.2	Very high	87 Å²	87	49.8 Å²	49.8	43%	0.429	24%	0.242	S	C	.	.			trans	-112.4	117.5	-177.4	-178	175.1	62.2	0	0	108.7	H257 R260 K261	H257-M292 HydrophobicContact CB-SD 3.68Å; H257-M292 VanDerWaalsContact CG-SD 3.57Å; R260-M292 HydrophobicContact CB-CG 3.71Å; K261-M292 HydrophobicContact CG-CB 4.12Å; K261-M292 HydrophobicContact CG-CG 4.35Å
293	A	97.4	Very high	97.2	Very high	7 Å²	7	49.8 Å²	49.8	6%	0.058	24%	0.243	C	C	.	.			trans	-61.9	156.9	176.7	0	0	0	0	0	111.4	Y168 R260 I263	Y168-A293 HydrophobicContact CE1-CB 4.38Å; Y168-A293 HydrophobicContact CE2-CB 4.11Å; Y168-A293 WeakPolarHBondContact OH-CB 3.26Å; R260-A293 PolarHBondContact NE-O 3.33Å; R260-A293 PolarHBondContact NH2-O 2.79Å; R260-A293 WeakPolarHBondContact O-CB 3.49Å; R260-A293 PolarHBondContact O-N 2.89Å; I263-A293 HydrophobicContact CB-CB 4.05Å; I263-A293 HydrophobicContact CG2-CB 3.66Å
294	P	96.3	Very high	97.3	Very high	58 Å²	58	50.2 Å²	50.2	38%	0.377	25%	0.245	S	C	.	.			trans	-51.8	158.2	175.9	-29.1	36.3	0	0	0	114.3	Y168 R260	Y168-P294 WeakPolarHBondContact CE2-O 3.31Å; Y168-P294 WeakPolarHBondContact OH-CD 3.33Å; Y168-P294 PolarHBondContact OH-O 3.16Å; R260-P294 PolarHBondContact NE-O 2.88Å
295	A	96.6	Very high	97.3	Very high	15 Å²	15	46.4 Å²	46.4	12%	0.124	23%	0.225	C	C	.	.	S	Bend	trans	-77.8	-27.7	176.8	0	0	0	0	0	112.4	K105 V107 G297 L298	K105-A295 WeakPolarHBondContact O-CB 3.4Å; V107-A295 HydrophobicContact CG2-CB 4.1Å; A295-G297 VanDerWaalsContact C-N 3.32Å; A295-G297 PolarHBondContact O-N 3.41Å; A295-L298 PolarHBondContact O-N 3.4Å
296	L	95.5	Very high	97.4	Very high	20 Å²	20	46.1 Å²	46.1	11%	0.105	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-46.6	-172.5	178.9	64.9	0	0	0	112.3	L298 M340 T343 D344 L349	L296-L298 VanDerWaalsContact C-N 3.27Å; L296-L298 PolarHBondContact O-N 2.79Å; L296-M340 HydrophobicContact CD1-CG 4.19Å; L296-M340 HydrophobicContact CG-CG 4.28Å; L296-M340 WeakPolarHBondContact O-CE 3.44Å; L296-M340 WeakPolarHBondContact O-CG 3.26Å; L296-T343 HydrophobicContact CD1-CG2 4.26Å; L296-T343 HydrophobicContact CD2-CG2 3.59Å; L296-D344 WeakPolarHBondContact CD2-OD1 3.41Å; L296-L349 HydrophobicContact CD2-CD1 3.71Å
297	G	97	Very high	97.4	Very high	3 Å²	3	43.3 Å²	43.3	3%	0.031	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-13.5	-178.5	0	0	0	0	0	115	Y168 V169 A295	Y168-G297 CarbonylContact C-O 3.49Å; Y168-G297 VanDerWaalsContact CA-O 3.25Å; Y168-G297 WeakPolarHBondContact CA-O 3.26Å; V169-G297 PolarHBondContact N-O 2.99Å; V169-G297 WeakPolarHBondContact O-CA 3.26Å; A295-G297 VanDerWaalsContact C-N 3.32Å; A295-G297 PolarHBondContact O-N 3.41Å
298	L	98.6	Very high	97.5	Very high	9 Å²	9	36.7 Å²	36.7	5%	0.047	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	130.5	-175.1	-175.7	64.7	0	0	0	112.1	V107 S108 Y166 Y168 I259 R260 A295 L296	V107-L298 HydrophobicContact CG1-CB 4.22Å; V107-L298 HydrophobicContact CG1-CD2 3.97Å; V107-L298 HydrophobicContact CG1-CG 3.88Å; V107-L298 WeakPolarHBondContact CG1-O 3.31Å; V107-L298 HydrophobicContact CG2-CB 4.19Å; V107-L298 HydrophobicContact CG2-CD2 3.92Å; V107-L298 HydrophobicContact CG2-CG 4.35Å; S108-L298 PolarHBondContact N-O 3.47Å; Y166-L298 HydrophobicContact CD1-CD1 3.86Å; Y166-L298 HydrophobicContact CD1-CG 4.22Å; Y166-L298 HydrophobicContact CG-CD1 4.45Å; Y168-L298 HydrophobicContact CD2-CB 3.9Å; Y168-L298 HydrophobicContact CD2-CD1 4.21Å; Y168-L298 HydrophobicContact CE2-CB 4.15Å; I259-L298 HydrophobicContact CB-CD1 4.13Å; I259-L298 HydrophobicContact CD1-CD1 4.2Å; I259-L298 HydrophobicContact CG2-CD1 3.67Å; R260-L298 HydrophobicContact CG-CD2 3.96Å; A295-L298 PolarHBondContact O-N 3.4Å; L296-L298 VanDerWaalsContact C-N 3.27Å; L296-L298 PolarHBondContact O-N 2.79Å
299	L	98.7	Very high	97.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	128.7	-177.4	172.8	57.7	0	0	0	111.1	A110 Y166 S167 E301 R332 I336 I337 M340	A110-L299 HydrophobicContact CB-CD1 4.1Å; A110-L299 HydrophobicContact CB-CD2 4.49Å; A110-L299 VanDerWaalsContact N-CD1 3.3Å; Y166-L299 CarbonylContact C-O 3.58Å; Y166-L299 WeakPolarHBondContact CA-O 3.35Å; Y166-L299 WeakPolarHBondContact CB-O 3.44Å; Y166-L299 VanDerWaalsContact CD1-O 3.29Å; Y166-L299 WeakPolarHBondContact CD1-O 3.32Å; S167-L299 PolarHBondContact N-O 3.27Å; S167-L299 PolarHBondContact O-N 3.05Å; L299-E301 PolarHBondContact O-N 2.9Å; L299-R332 HydrophobicContact CD2-CG 4.06Å; L299-I336 HydrophobicContact CD1-CD1 3.8Å; L299-I336 HydrophobicContact CD1-CG2 4.04Å; L299-I336 HydrophobicContact CD2-CG2 4.24Å; L299-I337 HydrophobicContact CD2-CD1 4.31Å; L299-M340 HydrophobicContact CB-CE 4.15Å
300	L	98.8	Very high	97.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	112.4	162.2	174.4	70.3	0	0	0	109.3	A101 S108 A109 A110 R111 Q112 R164 Y166	A101-L300 HydrophobicContact CB-CD1 4.15Å; A101-L300 HydrophobicContact CB-CD2 3.9Å; S108-L300 PolarHBondContact O-N 2.82Å; A109-L300 CarbonylContact C-O 3.55Å; A109-L300 WeakPolarHBondContact CA-O 3.37Å; A109-L300 HydrophobicContact CB-CB 3.9Å; A109-L300 HydrophobicContact CB-CD2 4.05Å; A109-L300 HydrophobicContact CB-CG 4.42Å; A110-L300 PolarHBondContact N-O 2.82Å; R111-L300 VanDerWaalsContact O-CD2 3.3Å; R111-L300 WeakPolarHBondContact O-CD2 3.35Å; R111-L300 WeakPolarHBondContact O-CG 3.42Å; Q112-L300 HydrophobicContact CB-CD2 4.17Å; Q112-L300 VanDerWaalsContact NE2-CD2 3.27Å; R164-L300 HydrophobicContact CB-CD1 4.19Å; Y166-L300 HydrophobicContact CD1-CB 4.11Å; Y166-L300 HydrophobicContact CD1-CD1 4.44Å; Y166-L300 HydrophobicContact CD2-CD1 4.13Å; Y166-L300 HydrophobicContact CE1-CB 3.72Å; Y166-L300 HydrophobicContact CE1-CD1 4.01Å; Y166-L300 HydrophobicContact CE1-CG 4.46Å; Y166-L300 HydrophobicContact CE2-CD1 3.66Å; Y166-L300 HydrophobicContact CG-CD1 4.5Å
301	E	98.6	Very high	97.7	Very high	17 Å²	17	42.3 Å²	42.3	8%	0.079	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	-45.5	179.3	-70.7	-71	-175.3	0	0	112.3	R111 R165 S167 L299 R332	R111-E301 WeakPolarHBondContact CB-O 3.38Å; R111-E301 VanDerWaalsContact CD-O 3.3Å; R111-E301 WeakPolarHBondContact CD-O 3.46Å; R111-E301 VanDerWaalsContact CG-O 3.32Å; R111-E301 WeakPolarHBondContact CG-O 3.48Å; R111-E301 PolarHBondContact NH1-O 2.83Å; R165-E301 HydrophobicContact CB-CB 4.24Å; R165-E301 HydrophobicContact CG-CB 4.04Å; R165-E301 HydrophobicContact CG-CG 4.41Å; R165-E301 WeakPolarHBondContact O-CB 3.24Å; R165-E301 PolarHBondContact O-N 2.82Å; S167-E301 VanDerWaalsContact CB-OE1 3.32Å; S167-E301 WeakPolarHBondContact CB-OE1 3.4Å; S167-E301 WeakPolarHBondContact OG-CG 3.46Å; S167-E301 PolarHBondContact OG-OE1 3.14Å; L299-E301 PolarHBondContact O-N 2.9Å; E301-R332 IonicContact OE1-CZ 3.98Å; E301-R332 VanDerWaalsContact OE1-CZ 3.29Å; E301-R332 IonicContact OE1-NE 2.83Å; E301-R332 PolarHBondContact OE1-NE 3.38Å; E301-R332 IonicContact OE1-NH2 3.91Å; E301-R332 PolarHBondContact OE1-NH2 2.58Å; E301-R332 IonicContact OE2-CZ 3.8Å; E301-R332 IonicContact OE2-NE 3.34Å; E301-R332 PolarHBondContact OE2-NE 3.25Å
302	E	97.7	Very high	97.8	Very high	37 Å²	37	41.9 Å²	41.9	17%	0.173	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.9	133.6	-178.3	-161.5	-177.4	163.1	0	0	114	R111 R164 R165 Y304	R111-E302 HydrophobicContact CB-CB 4.42Å; R111-E302 HydrophobicContact CB-CG 4.37Å; R164-E302 CarbonylContact C-O 3.59Å; R164-E302 WeakPolarHBondContact CA-O 3.33Å; R165-E302 PolarHBondContact N-O 3.49Å; R165-E302 IonicContact NH2-OE2 3.94Å; R165-E302 PolarHBondContact O-N 2.86Å; E302-Y304 HydrophobicContact CB-CE2 4.35Å; E302-Y304 PolarHBondContact OE2-OH 3.48Å
303	P	98.5	Very high	97.7	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	137.6	159.4	32.2	-33.8	0	0	0	112.4	A100 R111 V113 C161 R164 F305	A100-P303 HydrophobicContact CB-CB 3.67Å; A100-P303 HydrophobicContact CB-CG 3.87Å; R111-P303 WeakPolarHBondContact O-CD 3.28Å; V113-P303 HydrophobicContact CB-CG 4.2Å; V113-P303 HydrophobicContact CG2-CG 3.87Å; C161-P303 VanDerWaalsContact SG-CB 3.55Å; R164-P303 HydrophobicContact CG-CB 4.29Å; P303-F305 HydrophobicContact CB-CE2 3.92Å; P303-F305 HydrophobicContact CB-CZ 4.37Å; P303-F305 HydrophobicContact CG-CE2 3.95Å
304	Y	98.4	Very high	97.5	Very high	52 Å²	52	44.2 Å²	44.2	20%	0.204	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	143.7	-178	-64.3	-84.7	0	0	0	112.9	C161 D162 S163 R165 E302	C161-Y304 CarbonylContact C-O 3.53Å; C161-Y304 VanDerWaalsContact CA-O 3.31Å; C161-Y304 WeakPolarHBondContact CA-O 3.2Å; D162-Y304 PolarHBondContact N-O 3.17Å; S163-Y304 PolarHBondContact O-N 3.41Å; S163-Y304 VanDerWaalsContact OG-CD2 3.3Å; S163-Y304 WeakPolarHBondContact OG-CD2 3.39Å; R165-Y304 HydrophobicContact CB-CE2 3.9Å; R165-Y304 VanDerWaalsContact CZ-OH 3.27Å; R165-Y304 PolarHBondContact NE-OH 2.97Å; R165-Y304 PolarHBondContact NH2-OH 2.91Å; E302-Y304 HydrophobicContact CB-CE2 4.35Å; E302-Y304 PolarHBondContact OE2-OH 3.48Å
305	F	98.4	Very high	97.4	Very high	7 Å²	7	46.4 Å²	46.4	3%	0.031	26%	0.264	C	S	.	.			trans	-134.7	35.9	-175.8	-65.4	-85.7	0	0	0	112.5	A100 V113 F155 S157 W160 C161 D162 P303 C307 Y308 N309 I319	A100-F305 HydrophobicContact CB-CZ 3.9Å; V113-F305 HydrophobicContact CB-CE2 3.72Å; V113-F305 HydrophobicContact CB-CZ 3.79Å; V113-F305 HydrophobicContact CG1-CE2 3.99Å; V113-F305 HydrophobicContact CG1-CZ 3.84Å; V113-F305 HydrophobicContact CG2-CD2 4.47Å; V113-F305 HydrophobicContact CG2-CE2 3.59Å; V113-F305 HydrophobicContact CG2-CZ 4.2Å; F155-F305 AromaticContact CE2-CD1 3.91Å; F155-F305 HydrophobicContact CE2-CD1 3.91Å; F155-F305 AromaticContact CE2-CE1 3.82Å; F155-F305 HydrophobicContact CE2-CE1 3.82Å; F155-F305 HydrophobicContact CZ-CD1 4.25Å; F155-F305 AromaticContact CZ-CE1 3.81Å; F155-F305 HydrophobicContact CZ-CE1 3.81Å; F155-F305 HydrophobicContact CZ-CZ 4.35Å; S157-F305 WeakPolarHBondContact O-CE1 3.02Å; W160-F305 HydrophobicContact CB-CD1 4.16Å; W160-F305 HydrophobicContact CB-CE1 4.4Å; W160-F305 WeakPolarHBondContact O-CD1 3.19Å; C161-F305 HydrophobicContact CB-CD1 4.25Å; C161-F305 HydrophobicContact CB-CE1 3.61Å; C161-F305 HydrophobicContact CB-CZ 3.79Å; D162-F305 WeakPolarHBondContact OD2-CA 3.23Å; P303-F305 HydrophobicContact CB-CE2 3.92Å; P303-F305 HydrophobicContact CB-CZ 4.37Å; P303-F305 HydrophobicContact CG-CE2 3.95Å; F305-C307 PolarHBondContact O-N 3.44Å; F305-Y308 PolarHBondContact O-N 3.25Å; F305-N309 WeakPolarHBondContact O-CB 3.37Å; F305-N309 VanDerWaalsContact O-CG 3.25Å; F305-N309 PolarHBondContact O-N 2.94Å; F305-I319 HydrophobicContact CB-CB 4.17Å; F305-I319 HydrophobicContact CB-CD1 4.47Å; F305-I319 HydrophobicContact CB-CG2 4.42Å; F305-I319 HydrophobicContact CD1-CD1 4.17Å; F305-I319 HydrophobicContact CD2-CB 4.31Å; F305-I319 HydrophobicContact CD2-CG2 3.64Å; F305-I319 HydrophobicContact CE2-CG2 4.11Å; F305-I319 HydrophobicContact CG-CB 4.29Å; F305-I319 HydrophobicContact CG-CD1 4.19Å; F305-I319 HydrophobicContact CG-CG2 4.08Å
306	A	97.9	Very high	97.3	Very high	65 Å²	65	48.2 Å²	48.2	54%	0.537	27%	0.269	S	S	.	.	H	α-helix	trans	-56.3	-45.8	-177.6	0	0	0	0	0	112.3	D162 Y308 N309 Q310	D162-A306 PolarHBondContact OD2-N 3.46Å; A306-Y308 VanDerWaalsContact C-N 3.35Å; A306-Y308 PolarHBondContact O-N 3.41Å; A306-N309 PolarHBondContact O-N 3.34Å; A306-Q310 WeakPolarHBondContact O-CB 3.39Å; A306-Q310 PolarHBondContact O-N 2.92Å
307	C	98.2	Very high	97.2	Very high	63 Å²	63	53.8 Å²	53.8	43%	0.426	29%	0.293	S	S	.	.	H	α-helix	trans	-64.6	-39.6	-179.7	-65.7	0	0	0	0	112.2	D162 F305 R311	D162-C307 VanDerWaalsContact OD1-CB 3.3Å; D162-C307 WeakPolarHBondContact OD1-CB 3.33Å; D162-C307 PolarHBondContact OD1-SG 3.1Å; D162-C307 PolarHBondContact OD2-N 3.49Å; F305-C307 PolarHBondContact O-N 3.44Å; C307-R311 WeakPolarHBondContact O-CB 3.39Å; C307-R311 PolarHBondContact O-N 3.03Å; C307-R311 VanDerWaalsContact O-N 3.08Å
308	Y	98.5	Very high	97.1	Very high	1 Å²	1	56.6 Å²	56.6	0%	0.004	31%	0.311	C	S	.	.	H	α-helix	trans	-65.3	-47	175.9	177.2	-90.5	0	0	0	111.1	T151 T152 F155 W160 F305 A306 R311 Y312 I319	T151-Y308 WeakPolarHBondContact CA-OH 3.43Å; T151-Y308 VanDerWaalsContact CB-OH 3.27Å; T151-Y308 WeakPolarHBondContact CB-OH 3.29Å; T152-Y308 HydrophobicContact CG2-CE2 4.25Å; T152-Y308 PolarHBondContact N-OH 2.97Å; F155-Y308 HydrophobicContact CB-CE2 4.05Å; F155-Y308 AromaticContact CD2-CD2 3.73Å; F155-Y308 HydrophobicContact CD2-CD2 3.73Å; F155-Y308 AromaticContact CD2-CE2 3.59Å; F155-Y308 HydrophobicContact CD2-CE2 3.59Å; F155-Y308 HydrophobicContact CD2-CG 4.26Å; F155-Y308 HydrophobicContact CE2-CD2 4.35Å; F155-Y308 HydrophobicContact CE2-CG 4.47Å; F155-Y308 HydrophobicContact CG-CE2 4.17Å; W160-Y308 HydrophobicContact CB-CD2 4.45Å; W160-Y308 AromaticContact CD2-CD2 3.71Å; W160-Y308 HydrophobicContact CD2-CD2 3.71Å; W160-Y308 HydrophobicContact CD2-CG 4.35Å; W160-Y308 HydrophobicContact CE3-CD2 4.03Å; W160-Y308 HydrophobicContact CE3-CG 4.33Å; W160-Y308 AromaticContact CG-CD2 3.92Å; W160-Y308 HydrophobicContact CG-CD2 3.92Å; F305-Y308 PolarHBondContact O-N 3.25Å; A306-Y308 VanDerWaalsContact C-N 3.35Å; A306-Y308 PolarHBondContact O-N 3.41Å; Y308-R311 PolarHBondContact O-N 3Å; Y308-Y312 AromaticContact CD2-CD2 3.61Å; Y308-Y312 HydrophobicContact CD2-CD2 3.61Å; Y308-Y312 HydrophobicContact CD2-CE2 4.1Å; Y308-Y312 AromaticContact CE2-CD2 3.53Å; Y308-Y312 HydrophobicContact CE2-CD2 3.53Å; Y308-Y312 HydrophobicContact CE2-CE2 4.1Å; Y308-Y312 HydrophobicContact CE2-CG 4.33Å; Y308-Y312 HydrophobicContact CG-CD2 4.29Å; Y308-Y312 PolarHBondContact O-N 3.4Å; Y308-I319 HydrophobicContact CD1-CD1 3.71Å; Y308-I319 HydrophobicContact CD1-CG1 4.03Å; Y308-I319 HydrophobicContact CE1-CD1 3.77Å; Y308-I319 HydrophobicContact CE1-CG1 3.93Å; Y308-I319 HydrophobicContact CG-CD1 4.39Å
309	N	98	Very high	97	Very high	39 Å²	39	56.5 Å²	56.5	21%	0.209	31%	0.31	C	S	.	.	H	α-helix	trans	-64.4	-40.7	-179.2	-70.6	-13	0	0	0	111.6	F305 A306 G313 P318 I319	F305-N309 WeakPolarHBondContact O-CB 3.37Å; F305-N309 VanDerWaalsContact O-CG 3.25Å; F305-N309 PolarHBondContact O-N 2.94Å; A306-N309 PolarHBondContact O-N 3.34Å; N309-G313 WeakPolarHBondContact O-CA 3.5Å; N309-G313 PolarHBondContact O-N 3.14Å; N309-P318 HydrophobicContact CB-CB 4.21Å; N309-P318 WeakPolarHBondContact OD1-CA 3.35Å; N309-I319 PolarHBondContact ND2-O 3.15Å; N309-I319 PolarHBondContact OD1-N 2.85Å
310	Q	97.9	Very high	96.8	Very high	173 Å²	173	57.9 Å²	57.9	81%	0.808	32%	0.32	S	S	*	.	H	α-helix	trans	-62.1	-44.2	174.3	-173.7	-177.4	26	0	0	111.4	A306	A306-Q310 WeakPolarHBondContact O-CB 3.39Å; A306-Q310 PolarHBondContact O-N 2.92Å
311	R	97.9	Very high	96.6	Very high	171 Å²	171	58.1 Å²	58.1	65%	0.645	32%	0.321	S	S	*	.	H	α-helix	trans	-73	-36.1	-176.4	-173	173.3	-178.9	163.3	-0.9	113.7	C307 Y308	C307-R311 WeakPolarHBondContact O-CB 3.39Å; C307-R311 PolarHBondContact O-N 3.03Å; C307-R311 VanDerWaalsContact O-N 3.08Å; Y308-R311 PolarHBondContact O-N 3Å
312	Y	97.7	Very high	96.4	Very high	54 Å²	54	62.9 Å²	62.9	21%	0.212	35%	0.347	C	S	.	.	H	α-helix	trans	-122	-3.4	-169.7	-61.9	-66.5	0	0	0	115	T152 W160 Y308 A314 T315 H316	T152-Y312 HydrophobicContact CG2-CD1 3.51Å; T152-Y312 HydrophobicContact CG2-CD2 3.89Å; T152-Y312 HydrophobicContact CG2-CE1 3.8Å; T152-Y312 HydrophobicContact CG2-CE2 4.14Å; T152-Y312 HydrophobicContact CG2-CG 3.55Å; W160-Y312 AromaticContact CH2-CE2 3.81Å; W160-Y312 HydrophobicContact CH2-CE2 3.81Å; W160-Y312 AromaticContact CZ2-CE2 3.74Å; W160-Y312 HydrophobicContact CZ2-CE2 3.74Å; Y308-Y312 AromaticContact CD2-CD2 3.61Å; Y308-Y312 HydrophobicContact CD2-CD2 3.61Å; Y308-Y312 HydrophobicContact CD2-CE2 4.1Å; Y308-Y312 AromaticContact CE2-CD2 3.53Å; Y308-Y312 HydrophobicContact CE2-CD2 3.53Å; Y308-Y312 HydrophobicContact CE2-CE2 4.1Å; Y308-Y312 HydrophobicContact CE2-CG 4.33Å; Y308-Y312 HydrophobicContact CG-CD2 4.29Å; Y308-Y312 PolarHBondContact O-N 3.4Å; Y312-A314 PolarHBondContact O-N 2.98Å; Y312-A314 VanDerWaalsContact O-N 3.1Å; Y312-T315 PolarHBondContact O-N 3.37Å; Y312-T315 PolarHBondContact O-OG1 3Å; Y312-T315 VanDerWaalsContact O-OG1 3.13Å; Y312-H316 PolarHBondContact O-N 3.3Å
313	G	94.3	Very high	96.1	Very high	36 Å²	36	65.6 Å²	65.6	37%	0.371	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-23	-177.2	0	0	0	0	0	114.9	N309 T315 H316	N309-G313 WeakPolarHBondContact O-CA 3.5Å; N309-G313 PolarHBondContact O-N 3.14Å; G313-T315 VanDerWaalsContact C-N 3.34Å; G313-H316 CarbonylContact C-O 3.01Å; G313-H316 WeakPolarHBondContact CA-O 3.36Å
314	A	94.5	Very high	95.8	Very high	107 Å²	107	65.9 Å²	65.9	88%	0.884	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-19.9	173.9	0	0	0	0	0	113.9	Y312	Y312-A314 PolarHBondContact O-N 2.98Å; Y312-A314 VanDerWaalsContact O-N 3.1Å
315	T	94.8	Very high	95.6	Very high	105 Å²	105	67.2 Å²	67.2	64%	0.644	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121	-20	-174.8	58.9	0	0	0	0	113.8	Y312 G313	Y312-T315 PolarHBondContact O-N 3.37Å; Y312-T315 PolarHBondContact O-OG1 3Å; Y312-T315 VanDerWaalsContact O-OG1 3.13Å; G313-T315 VanDerWaalsContact C-N 3.34Å
316	H	93.8	Very high	95.5	Very high	52 Å²	52	73.8 Å²	73.8	24%	0.241	41%	0.407	C	S	.	.	S	Bend	trans	-134	149.5	-179.9	-65.9	72.5	0	0	0	108.4	T152 Y312 G313	T152-H316 PolarHBondContact N-CD2 3.02Å; Y312-H316 PolarHBondContact O-N 3.3Å; G313-H316 CarbonylContact C-O 3.01Å; G313-H316 WeakPolarHBondContact CA-O 3.36Å
317	K	92.9	Very high	95.4	Very high	137 Å²	137	75.2 Å²	75.2	60%	0.596	40%	0.402	S	S	*	.			trans	-58.3	136	172.3	-68.6	-176.8	-179.5	-179.5	0	109.3	V149	V149-K317 HydrophobicContact CG1-CB 3.91Å
318	P	95.5	Very high	95.3	Very high	63 Å²	63	72.2 Å²	72.2	41%	0.409	38%	0.381	S	S	.	.			trans	-63.5	148.2	176.8	27.4	-34.2	0	0	0	110.2	N309 S320	N309-P318 HydrophobicContact CB-CB 4.21Å; N309-P318 WeakPolarHBondContact OD1-CA 3.35Å; P318-S320 VanDerWaalsContact C-N 3.35Å; P318-S320 PolarHBondContact O-N 3.14Å; P318-S320 VanDerWaalsContact O-N 3.09Å
319	I	96.2	Very high	95.2	Very high	7 Å²	7	75 Å²	75	4%	0.036	40%	0.396	C	S	.	.			trans	-77.4	94.5	166.9	-57.1	174.7	0	0	0	105.7	A48 L50 V113 T151 F155 F305 Y308 N309	A48-I319 HydrophobicContact CB-CD1 4.21Å; A48-I319 HydrophobicContact CB-CG1 4.33Å; L50-I319 HydrophobicContact CD1-CG2 4.47Å; V113-I319 HydrophobicContact CG1-CG2 4.42Å; V113-I319 HydrophobicContact CG2-CG2 4.25Å; T151-I319 HydrophobicContact CG2-CD1 4.37Å; F155-I319 HydrophobicContact CD2-CD1 3.89Å; F155-I319 HydrophobicContact CE1-CD1 3.93Å; F155-I319 HydrophobicContact CE2-CD1 3.15Å; F155-I319 HydrophobicContact CZ-CD1 3.18Å; F305-I319 HydrophobicContact CB-CB 4.17Å; F305-I319 HydrophobicContact CB-CD1 4.47Å; F305-I319 HydrophobicContact CB-CG2 4.42Å; F305-I319 HydrophobicContact CD1-CD1 4.17Å; F305-I319 HydrophobicContact CD2-CB 4.31Å; F305-I319 HydrophobicContact CD2-CG2 3.64Å; F305-I319 HydrophobicContact CE2-CG2 4.11Å; F305-I319 HydrophobicContact CG-CB 4.29Å; F305-I319 HydrophobicContact CG-CD1 4.19Å; F305-I319 HydrophobicContact CG-CG2 4.08Å; Y308-I319 HydrophobicContact CD1-CD1 3.71Å; Y308-I319 HydrophobicContact CD1-CG1 4.03Å; Y308-I319 HydrophobicContact CE1-CD1 3.77Å; Y308-I319 HydrophobicContact CE1-CG1 3.93Å; Y308-I319 HydrophobicContact CG-CD1 4.39Å; N309-I319 PolarHBondContact ND2-O 3.15Å; N309-I319 PolarHBondContact OD1-N 2.85Å
320	S	94.5	Very high	95.2	Very high	29 Å²	29	78.5 Å²	78.5	20%	0.203	41%	0.407	C	S	.	.			trans	-134.3	148.6	-178.7	178.9	0	0	0	0	110.7	L50 P318 D322	L50-S320 WeakPolarHBondContact CD2-O 3.22Å; P318-S320 VanDerWaalsContact C-N 3.35Å; P318-S320 PolarHBondContact O-N 3.14Å; P318-S320 VanDerWaalsContact O-N 3.09Å; S320-D322 PolarHBondContact OG-N 3.26Å; S320-D322 VanDerWaalsContact OG-N 3.14Å; S320-D322 PolarHBondContact OG-OD1 2.86Å; S320-D322 PolarHBondContact OG-OD2 2.84Å
321	W	95.1	Very high	95.2	Very high	4 Å²	4	70.9 Å²	70.9	2%	0.015	37%	0.371	C	S	.	.	S	Bend	trans	-90.3	-7.7	175.1	-61.2	95.1	0	0	0	113.1	L50 R111 Q112 V113 T323 V324 M325	L50-W321 HydrophobicContact CB-CE3 4.28Å; L50-W321 HydrophobicContact CB-CH2 3.65Å; L50-W321 HydrophobicContact CB-CZ2 4.42Å; L50-W321 HydrophobicContact CB-CZ3 3.57Å; L50-W321 HydrophobicContact CD2-CD2 4.07Å; L50-W321 HydrophobicContact CD2-CE3 3.87Å; L50-W321 HydrophobicContact CD2-CH2 4.3Å; L50-W321 HydrophobicContact CD2-CZ2 4.47Å; L50-W321 HydrophobicContact CD2-CZ3 4.01Å; L50-W321 HydrophobicContact CG-CD2 4.45Å; L50-W321 HydrophobicContact CG-CE3 4.18Å; L50-W321 HydrophobicContact CG-CH2 3.7Å; L50-W321 HydrophobicContact CG-CZ2 3.97Å; L50-W321 HydrophobicContact CG-CZ3 3.82Å; R111-W321 VanDerWaalsContact CA-CH2 3.49Å; R111-W321 HydrophobicContact CB-CD2 3.96Å; R111-W321 HydrophobicContact CB-CE3 4.04Å; R111-W321 HydrophobicContact CB-CH2 3.5Å; R111-W321 HydrophobicContact CB-CZ2 3.4Å; R111-W321 VanDerWaalsContact CB-CZ2 3.4Å; R111-W321 HydrophobicContact CB-CZ3 3.82Å; R111-W321 HydrophobicContact CG-CD2 3.79Å; R111-W321 HydrophobicContact CG-CE3 3.71Å; R111-W321 HydrophobicContact CG-CG 4.4Å; R111-W321 HydrophobicContact CG-CH2 4.07Å; R111-W321 HydrophobicContact CG-CZ2 4.16Å; R111-W321 HydrophobicContact CG-CZ3 3.84Å; Q112-W321 VanDerWaalsContact O-CH2 3.24Å; Q112-W321 WeakPolarHBondContact O-CH2 3.47Å; V113-W321 HydrophobicContact CG2-CH2 4.3Å; V113-W321 HydrophobicContact CG2-CZ2 3.53Å; W321-T323 VanDerWaalsContact C-N 3.26Å; W321-T323 PolarHBondContact O-N 2.94Å; W321-T323 VanDerWaalsContact O-N 3.14Å; W321-V324 HydrophobicContact CE3-CG2 3.81Å; W321-V324 CarbonylContact O-C 3.58Å; W321-V324 WeakPolarHBondContact O-CG2 3.24Å; W321-V324 PolarHBondContact O-N 3.39Å; W321-M325 WeakPolarHBondContact O-CA 3.39Å; W321-M325 WeakPolarHBondContact O-CB 3.36Å; W321-M325 PolarHBondContact O-N 3.46Å
322	D	94.1	Very high	95.2	Very high	117 Å²	117	63.8 Å²	63.8	63%	0.626	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-51.6	-44.7	-171.8	-58.9	-31.8	0	0	0	112.8	S320 V324	S320-D322 PolarHBondContact OG-N 3.26Å; S320-D322 VanDerWaalsContact OG-N 3.14Å; S320-D322 PolarHBondContact OG-OD1 2.86Å; S320-D322 PolarHBondContact OG-OD2 2.84Å; D322-V324 PolarHBondContact O-N 3.46Å
323	T	90.8	Very high	95.1	Very high	95 Å²	95	65.3 Å²	65.3	58%	0.583	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-72.6	-10.8	-177.4	62.2	0	0	0	0	114.4	L146 W321	L146-T323 HydrophobicContact CD1-CG2 3.83Å; W321-T323 VanDerWaalsContact C-N 3.26Å; W321-T323 PolarHBondContact O-N 2.94Å; W321-T323 VanDerWaalsContact O-N 3.14Å
324	V	92.6	Very high	95.1	Very high	6 Å²	6	69.3 Å²	69.3	4%	0.036	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-133.3	7.4	-172.5	-57.7	0	0	0	0	112.4	L50 M143 W321 D322 E326 K327 C328	L50-V324 HydrophobicContact CD2-CG2 4.31Å; M143-V324 HydrophobicContact CB-CB 4.45Å; M143-V324 HydrophobicContact CB-CG2 4.48Å; M143-V324 WeakPolarHBondContact O-CB 3.45Å; M143-V324 WeakPolarHBondContact O-CG1 3.22Å; W321-V324 HydrophobicContact CE3-CG2 3.81Å; W321-V324 CarbonylContact O-C 3.58Å; W321-V324 WeakPolarHBondContact O-CG2 3.24Å; W321-V324 PolarHBondContact O-N 3.39Å; D322-V324 PolarHBondContact O-N 3.46Å; V324-E326 PolarHBondContact O-N 2.89Å; V324-K327 PolarHBondContact O-N 3.49Å; V324-C328 PolarHBondContact O-N 2.98Å; V324-C328 PolarHBondContact O-SG 3.44Å
325	M	94.5	Very high	95.2	Very high	81 Å²	81	68.9 Å²	68.9	40%	0.399	34%	0.338	S	S	.	.	H	α-helix	trans	-59.6	-51.2	-170.4	-174.6	176.9	-67.6	0	0	111.2	W321 K327 C328 D329	W321-M325 WeakPolarHBondContact O-CA 3.39Å; W321-M325 WeakPolarHBondContact O-CB 3.36Å; W321-M325 PolarHBondContact O-N 3.46Å; M325-K327 VanDerWaalsContact C-N 3.27Å; M325-K327 PolarHBondContact O-N 3.34Å; M325-C328 CarbonylContact O-C 3.53Å; M325-C328 WeakPolarHBondContact O-CA 3.48Å; M325-C328 WeakPolarHBondContact O-CB 3.39Å; M325-C328 PolarHBondContact O-N 2.96Å; M325-D329 WeakPolarHBondContact CG-OD2 3.27Å; M325-D329 PolarHBondContact O-N 2.83Å
326	E	95.2	Very high	95.3	Very high	144 Å²	144	63.9 Å²	63.9	67%	0.673	31%	0.308	S	S	*	.	H	α-helix	trans	-56.8	-39.5	178.7	-169.2	-160.8	147.9	0	0	112.5	V324 R330	V324-E326 PolarHBondContact O-N 2.89Å; E326-R330 VanDerWaalsContact O-CB 3.31Å; E326-R330 WeakPolarHBondContact O-CB 3.45Å; E326-R330 PolarHBondContact O-N 3.06Å; E326-R330 IonicContact OE1-NH1 3.06Å
327	K	95.7	Very high	95.5	Very high	95 Å²	95	61.7 Å²	61.7	41%	0.413	30%	0.298	S	S	.	.	H	α-helix	trans	-67.6	-38.2	176.1	-71	-172.4	177.2	-175.4	0	111.6	M143 V324 M325 F331	M143-K327 VanDerWaalsContact CE-C 3.48Å; M143-K327 HydrophobicContact CE-CB 4.21Å; M143-K327 VanDerWaalsContact CE-O 3.23Å; M143-K327 WeakPolarHBondContact CE-O 3.29Å; V324-K327 PolarHBondContact O-N 3.49Å; M325-K327 VanDerWaalsContact C-N 3.27Å; M325-K327 PolarHBondContact O-N 3.34Å; K327-F331 WeakPolarHBondContact O-CB 3.25Å; K327-F331 PolarHBondContact O-N 2.93Å
328	C	97	Very high	95.6	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-66.2	-45.5	176.6	-59.9	0	0	0	0	111.3	R111 M143 V324 M325 F331 R332	R111-C328 HydrophobicContact CG-CB 4.09Å; M143-C328 VanDerWaalsContact CE-CA 3.45Å; M143-C328 HydrophobicContact CE-CB 4.19Å; V324-C328 PolarHBondContact O-N 2.98Å; V324-C328 PolarHBondContact O-SG 3.44Å; M325-C328 CarbonylContact O-C 3.53Å; M325-C328 WeakPolarHBondContact O-CA 3.48Å; M325-C328 WeakPolarHBondContact O-CB 3.39Å; M325-C328 PolarHBondContact O-N 2.96Å; C328-F331 PolarHBondContact O-N 2.93Å; C328-R332 VanDerWaalsContact O-CB 3.3Å; C328-R332 WeakPolarHBondContact O-CB 3.31Å; C328-R332 PolarHBondContact O-N 3.41Å
329	D	97	Very high	95.6	Very high	60 Å²	60	55.1 Å²	55.1	32%	0.321	27%	0.272	S	S	.	.	H	α-helix	trans	-65.4	-43.4	178.4	-65.2	-33.8	0	0	0	111.1	R111 M325 F331 R332 E333	R111-D329 IonicContact CZ-OD1 3.85Å; R111-D329 IonicContact NH1-OD1 3.47Å; R111-D329 IonicContact NH2-OD1 3.28Å; R111-D329 PolarHBondContact NH2-OD1 3.46Å; R111-D329 IonicContact NH2-OD2 3.8Å; M325-D329 WeakPolarHBondContact CG-OD2 3.27Å; M325-D329 PolarHBondContact O-N 2.83Å; D329-F331 VanDerWaalsContact C-N 3.35Å; D329-F331 PolarHBondContact O-N 3.08Å; D329-R332 WeakPolarHBondContact O-CB 3.5Å; D329-R332 PolarHBondContact O-N 3.3Å; D329-E333 WeakPolarHBondContact O-CG 3.42Å; D329-E333 PolarHBondContact O-N 3.43Å
330	R	97.1	Very high	95.5	Very high	113 Å²	113	54.9 Å²	54.9	43%	0.426	27%	0.271	S	S	.	.	H	α-helix	trans	-60.7	-43.2	174.5	-174.9	170.8	63.6	-138.3	2.9	112.4	E326 Q334	E326-R330 VanDerWaalsContact O-CB 3.31Å; E326-R330 WeakPolarHBondContact O-CB 3.45Å; E326-R330 PolarHBondContact O-N 3.06Å; E326-R330 IonicContact OE1-NH1 3.06Å; R330-Q334 VanDerWaalsContact CG-CD 3.47Å; R330-Q334 HydrophobicContact CG-CG 4.18Å; R330-Q334 VanDerWaalsContact CG-OE1 3.32Å; R330-Q334 VanDerWaalsContact O-CB 3.27Å; R330-Q334 WeakPolarHBondContact O-CB 3.36Å; R330-Q334 WeakPolarHBondContact O-CG 3.46Å; R330-Q334 PolarHBondContact O-N 3.35Å
331	F	97.8	Very high	95.6	Very high	13 Å²	13	54.5 Å²	54.5	6%	0.057	27%	0.266	C	S	.	.	H	α-helix	trans	-64.3	-43.2	176.2	-172.5	-84.2	0	0	0	111.2	A52 R141 M143 K327 C328 D329 Y335 I336	A52-F331 HydrophobicContact CB-CD1 3.6Å; A52-F331 HydrophobicContact CB-CE1 3.84Å; A52-F331 HydrophobicContact CB-CG 4.1Å; R141-F331 HydrophobicContact CB-CE2 4.38Å; R141-F331 HydrophobicContact CG-CD2 4.37Å; R141-F331 HydrophobicContact CG-CE2 3.95Å; M143-F331 HydrophobicContact CE-CB 3.73Å; M143-F331 HydrophobicContact CE-CG 4.23Å; K327-F331 WeakPolarHBondContact O-CB 3.25Å; K327-F331 PolarHBondContact O-N 2.93Å; C328-F331 PolarHBondContact O-N 2.93Å; D329-F331 VanDerWaalsContact C-N 3.35Å; D329-F331 PolarHBondContact O-N 3.08Å; F331-Y335 AromaticContact CD2-CD2 3.89Å; F331-Y335 HydrophobicContact CD2-CD2 3.89Å; F331-Y335 HydrophobicContact CD2-CE2 4.45Å; F331-Y335 HydrophobicContact CD2-CG 4.02Å; F331-Y335 HydrophobicContact CE2-CD1 4.16Å; F331-Y335 HydrophobicContact CE2-CD2 4.19Å; F331-Y335 AromaticContact CE2-CG 3.88Å; F331-Y335 HydrophobicContact CE2-CG 3.88Å; F331-Y335 HydrophobicContact CG-CD2 4.38Å; F331-Y335 HydrophobicContact CZ-CG 4.27Å; F331-Y335 WeakPolarHBondContact O-CA 3.49Å; F331-Y335 WeakPolarHBondContact O-CB 3.39Å; F331-Y335 PolarHBondContact O-N 2.98Å; F331-I336 HydrophobicContact CD1-CD1 3.95Å; F331-I336 HydrophobicContact CD1-CG1 4.17Å; F331-I336 HydrophobicContact CE1-CD1 3.9Å; F331-I336 HydrophobicContact CE1-CG1 3.97Å; F331-I336 PolarHBondContact O-N 3.5Å
332	R	97.6	Very high	95.5	Very high	22 Å²	22	60.6 Å²	60.6	8%	0.083	30%	0.295	C	S	.	.	I	π-helix	trans	-55	-53.8	175.2	179.5	-173.8	-176.9	-75.6	-4.4	111.1	A110 L299 E301 C328 D329 I336 I337	A110-R332 HydrophobicContact CB-CB 4.01Å; A110-R332 HydrophobicContact CB-CG 4.12Å; L299-R332 HydrophobicContact CD2-CG 4.06Å; E301-R332 IonicContact OE1-CZ 3.98Å; E301-R332 VanDerWaalsContact OE1-CZ 3.29Å; E301-R332 IonicContact OE1-NE 2.83Å; E301-R332 PolarHBondContact OE1-NE 3.38Å; E301-R332 IonicContact OE1-NH2 3.91Å; E301-R332 PolarHBondContact OE1-NH2 2.58Å; E301-R332 IonicContact OE2-CZ 3.8Å; E301-R332 IonicContact OE2-NE 3.34Å; E301-R332 PolarHBondContact OE2-NE 3.25Å; C328-R332 VanDerWaalsContact O-CB 3.3Å; C328-R332 WeakPolarHBondContact O-CB 3.31Å; C328-R332 PolarHBondContact O-N 3.41Å; D329-R332 WeakPolarHBondContact O-CB 3.5Å; D329-R332 PolarHBondContact O-N 3.3Å; R332-I336 WeakPolarHBondContact O-CA 3.22Å; R332-I336 VanDerWaalsContact O-CB 3.31Å; R332-I336 WeakPolarHBondContact O-CB 3.34Å; R332-I336 PolarHBondContact O-N 3.34Å; R332-I337 HydrophobicContact CG-CG1 4.22Å; R332-I337 WeakPolarHBondContact O-CG1 3.3Å; R332-I337 PolarHBondContact O-N 2.99Å
333	E	96.4	Very high	95.5	Very high	86 Å²	86	55.3 Å²	55.3	40%	0.402	27%	0.267	S	S	.	.	I	π-helix	trans	-67.4	-49.8	-178.3	-61.5	-45.6	137.7	0	0	112.4	D329 A338	D329-E333 WeakPolarHBondContact O-CG 3.42Å; D329-E333 PolarHBondContact O-N 3.43Å; E333-A338 WeakPolarHBondContact O-CB 3.3Å; E333-A338 PolarHBondContact O-N 3.05Å
334	Q	95.1	Very high	95.5	Very high	119 Å²	119	51.5 Å²	51.5	56%	0.556	24%	0.243	S	C	*	.	I	π-helix	trans	-81.6	-33.7	-168.2	-64.8	-178.6	-16.9	0	0	114.1	R330	R330-Q334 VanDerWaalsContact CG-CD 3.47Å; R330-Q334 HydrophobicContact CG-CG 4.18Å; R330-Q334 VanDerWaalsContact CG-OE1 3.32Å; R330-Q334 VanDerWaalsContact O-CB 3.27Å; R330-Q334 WeakPolarHBondContact O-CB 3.36Å; R330-Q334 WeakPolarHBondContact O-CG 3.46Å; R330-Q334 PolarHBondContact O-N 3.35Å
335	Y	95.6	Very high	95.2	Very high	99 Å²	99	55.9 Å²	55.9	39%	0.388	26%	0.261	S	S	.	.	I	π-helix	trans	-104.4	-28	-175.9	-73	-102.3	0	0	0	112.5	R54 F331 D339	R54-Y335 WeakPolarHBondContact CD-O 3.39Å; F331-Y335 AromaticContact CD2-CD2 3.89Å; F331-Y335 HydrophobicContact CD2-CD2 3.89Å; F331-Y335 HydrophobicContact CD2-CE2 4.45Å; F331-Y335 HydrophobicContact CD2-CG 4.02Å; F331-Y335 HydrophobicContact CE2-CD1 4.16Å; F331-Y335 HydrophobicContact CE2-CD2 4.19Å; F331-Y335 AromaticContact CE2-CG 3.88Å; F331-Y335 HydrophobicContact CE2-CG 3.88Å; F331-Y335 HydrophobicContact CG-CD2 4.38Å; F331-Y335 HydrophobicContact CZ-CG 4.27Å; F331-Y335 WeakPolarHBondContact O-CA 3.49Å; F331-Y335 WeakPolarHBondContact O-CB 3.39Å; F331-Y335 PolarHBondContact O-N 2.98Å; Y335-D339 WeakPolarHBondContact O-CB 3.24Å
336	I	97.7	Very high	94.9	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	28%	0.279	C	S	.	.	I	π-helix	trans	-103.6	-63.8	-174.7	-56.4	174.5	0	0	0	110.7	R54 A110 L299 F331 R332 D339 M340	R54-I336 HydrophobicContact CB-CG1 4.44Å; A110-I336 HydrophobicContact CB-CD1 4.49Å; L299-I336 HydrophobicContact CD1-CD1 3.8Å; L299-I336 HydrophobicContact CD1-CG2 4.04Å; L299-I336 HydrophobicContact CD2-CG2 4.24Å; F331-I336 HydrophobicContact CD1-CD1 3.95Å; F331-I336 HydrophobicContact CD1-CG1 4.17Å; F331-I336 HydrophobicContact CE1-CD1 3.9Å; F331-I336 HydrophobicContact CE1-CG1 3.97Å; F331-I336 PolarHBondContact O-N 3.5Å; R332-I336 WeakPolarHBondContact O-CA 3.22Å; R332-I336 VanDerWaalsContact O-CB 3.31Å; R332-I336 WeakPolarHBondContact O-CB 3.34Å; R332-I336 PolarHBondContact O-N 3.34Å; I336-D339 PolarHBondContact O-N 3.13Å; I336-M340 HydrophobicContact CG2-CE 3.38Å; I336-M340 HydrophobicContact CG2-SD 3.95Å; I336-M340 VanDerWaalsContact O-CG 3.28Å; I336-M340 WeakPolarHBondContact O-CG 3.48Å; I336-M340 PolarHBondContact O-N 3.16Å
337	I	97.1	Very high	94.4	Very high	6 Å²	6	58.7 Å²	58.7	3%	0.031	27%	0.271	C	S	.	.	I	π-helix	trans	-65.1	-45.4	-174.9	-60.5	-54.5	0	0	0	111.4	V169 L236 L299 R332 D339 M340 I341	V169-I337 HydrophobicContact CG2-CD1 3.82Å; L236-I337 HydrophobicContact CD2-CG2 4.05Å; L299-I337 HydrophobicContact CD2-CD1 4.31Å; R332-I337 HydrophobicContact CG-CG1 4.22Å; R332-I337 WeakPolarHBondContact O-CG1 3.3Å; R332-I337 PolarHBondContact O-N 2.99Å; I337-D339 VanDerWaalsContact C-N 3.34Å; I337-D339 PolarHBondContact O-N 2.81Å; I337-M340 HydrophobicContact CD1-SD 3.95Å; I337-M340 WeakPolarHBondContact O-CB 3.49Å; I337-M340 PolarHBondContact O-N 3.12Å; I337-I341 HydrophobicContact CG2-CD1 3.79Å; I337-I341 WeakPolarHBondContact O-CG1 3.48Å; I337-I341 PolarHBondContact O-N 3.05Å
338	A	95.3	Very high	93.3	Very high	46 Å²	46	63 Å²	63	38%	0.38	29%	0.29	S	S	.	.	H	α-helix	trans	-58.7	-44	177	0	0	0	0	0	112.3	E333 I341 E342	E333-A338 WeakPolarHBondContact O-CB 3.3Å; E333-A338 PolarHBondContact O-N 3.05Å; A338-I341 PolarHBondContact O-N 3.46Å; A338-E342 WeakPolarHBondContact O-CB 3.32Å; A338-E342 PolarHBondContact O-N 3.38Å
339	D	95.2	Very high	91.6	Very high	16 Å²	16	67.9 Å²	67.9	9%	0.086	32%	0.315	C	S	.	.	H	α-helix	trans	-68.1	-38.5	177.3	177.3	90	0	0	0	112	R54 K56 Y335 I336 I337 E342 T343	R54-D339 IonicContact CZ-OD1 2.82Å; R54-D339 IonicContact NH1-OD1 3.46Å; R54-D339 PolarHBondContact NH1-OD1 2.87Å; R54-D339 IonicContact NH1-OD2 3.9Å; K56-D339 WeakPolarHBondContact CD-OD2 3.25Å; K56-D339 IonicContact NZ-OD1 2.8Å; K56-D339 PolarHBondContact NZ-OD1 2.85Å; K56-D339 IonicContact NZ-OD2 3.31Å; Y335-D339 WeakPolarHBondContact O-CB 3.24Å; I336-D339 PolarHBondContact O-N 3.13Å; I337-D339 VanDerWaalsContact C-N 3.34Å; I337-D339 PolarHBondContact O-N 2.81Å; D339-E342 PolarHBondContact O-N 3.11Å; D339-T343 VanDerWaalsContact O-CB 3.23Å; D339-T343 WeakPolarHBondContact O-CB 3.33Å; D339-T343 PolarHBondContact O-N 3.09Å; D339-T343 PolarHBondContact O-OG1 3.19Å
340	M	95.5	Very high	91.3	Very high	2 Å²	2	68.3 Å²	68.3	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-56.1	-52.6	173.7	-74.1	168.5	175.6	0	0	110.6	V169 L296 L299 I336 I337 E342 T343 D344	V169-M340 HydrophobicContact CB-SD 4.23Å; L296-M340 HydrophobicContact CD1-CG 4.19Å; L296-M340 HydrophobicContact CG-CG 4.28Å; L296-M340 WeakPolarHBondContact O-CE 3.44Å; L296-M340 WeakPolarHBondContact O-CG 3.26Å; L299-M340 HydrophobicContact CB-CE 4.15Å; I336-M340 HydrophobicContact CG2-CE 3.38Å; I336-M340 HydrophobicContact CG2-SD 3.95Å; I336-M340 VanDerWaalsContact O-CG 3.28Å; I336-M340 WeakPolarHBondContact O-CG 3.48Å; I336-M340 PolarHBondContact O-N 3.16Å; I337-M340 HydrophobicContact CD1-SD 3.95Å; I337-M340 WeakPolarHBondContact O-CB 3.49Å; I337-M340 PolarHBondContact O-N 3.12Å; M340-E342 PolarHBondContact O-N 2.7Å; M340-T343 PolarHBondContact O-N 3.07Å; M340-D344 PolarHBondContact O-N 2.91Å
341	I	94.6	Very high	91	Very high	20 Å²	20	65.9 Å²	65.9	10%	0.103	31%	0.309	C	S	.	.	H	α-helix	trans	-64.8	-42.1	-178.6	-64.6	166.5	0	0	0	111.5	V238 A241 Y244 I337 A338 T343 K345	V238-I341 HydrophobicContact CB-CD1 4.28Å; V238-I341 HydrophobicContact CG1-CD1 3.52Å; A241-I341 HydrophobicContact CB-CG2 3.86Å; Y244-I341 HydrophobicContact CD1-CG1 4.24Å; Y244-I341 HydrophobicContact CD2-CG1 4.47Å; Y244-I341 HydrophobicContact CE1-CG1 3.92Å; Y244-I341 HydrophobicContact CE2-CG1 4.21Å; Y244-I341 HydrophobicContact CE2-CG2 4.11Å; I337-I341 HydrophobicContact CG2-CD1 3.79Å; I337-I341 WeakPolarHBondContact O-CG1 3.48Å; I337-I341 PolarHBondContact O-N 3.05Å; A338-I341 PolarHBondContact O-N 3.46Å; I341-T343 VanDerWaalsContact C-N 3.32Å; I341-K345 HydrophobicContact CG2-CD 4.37Å; I341-K345 WeakPolarHBondContact O-CG 3.4Å; I341-K345 PolarHBondContact O-N 2.94Å; I341-K345 VanDerWaalsContact O-N 3.08Å
342	E	94.2	Very high	90.7	Very high	133 Å²	133	68.8 Å²	68.8	62%	0.621	32%	0.323	S	S	*	.	H	α-helix	trans	-63.5	-40.7	176.8	-174.4	-178.6	177.1	0	0	111.5	A338 D339 M340 K346	A338-E342 WeakPolarHBondContact O-CB 3.32Å; A338-E342 PolarHBondContact O-N 3.38Å; D339-E342 PolarHBondContact O-N 3.11Å; M340-E342 PolarHBondContact O-N 2.7Å; E342-K346 WeakPolarHBondContact O-CB 3.46Å; E342-K346 PolarHBondContact O-N 3.43Å
343	T	93.4	Very high	90.2	Very high	5 Å²	5	71.6 Å²	71.6	3%	0.031	34%	0.337	C	S	.	.	H	α-helix	trans	-66.5	-47.9	178.9	-53.4	0	0	0	0	111.1	K56 L296 D339 M340 I341 K345 K346 E347 L349	K56-T343 PolarHBondContact NZ-OG1 3.2Å; L296-T343 HydrophobicContact CD1-CG2 4.26Å; L296-T343 HydrophobicContact CD2-CG2 3.59Å; D339-T343 VanDerWaalsContact O-CB 3.23Å; D339-T343 WeakPolarHBondContact O-CB 3.33Å; D339-T343 PolarHBondContact O-N 3.09Å; D339-T343 PolarHBondContact O-OG1 3.19Å; M340-T343 PolarHBondContact O-N 3.07Å; I341-T343 VanDerWaalsContact C-N 3.32Å; T343-K345 VanDerWaalsContact C-N 3.31Å; T343-K345 PolarHBondContact O-N 3.35Å; T343-K346 PolarHBondContact O-N 2.73Å; T343-K346 VanDerWaalsContact O-N 3.14Å; T343-E347 HydrophobicContact CG2-CG 4.25Å; T343-E347 WeakPolarHBondContact CG2-OE1 3.42Å; T343-E347 WeakPolarHBondContact O-CB 3.32Å; T343-E347 PolarHBondContact O-N 2.69Å; T343-L349 HydrophobicContact CG2-CD1 4.44Å
344	D	90.6	Very high	89.9	Confident	16 Å²	16	70.7 Å²	70.7	9%	0.086	33%	0.333	C	S	.	.	H	α-helix	trans	-58.6	-42.9	177.8	-78.7	-16.5	0	0	0	111.2	Y244 L296 M340 K346 K348	Y244-D344 WeakPolarHBondContact OH-CB 3.44Å; Y244-D344 PolarHBondContact OH-OD2 3.12Å; L296-D344 WeakPolarHBondContact CD2-OD1 3.41Å; M340-D344 PolarHBondContact O-N 2.91Å; D344-K346 PolarHBondContact O-N 2.82Å; D344-K348 VanDerWaalsContact O-CA 3.22Å; D344-K348 WeakPolarHBondContact O-CA 3.41Å; D344-K348 PolarHBondContact O-N 3.28Å
345	K	87.2	Confident	89.5	Confident	97 Å²	97	67.5 Å²	67.5	42%	0.422	32%	0.318	S	S	.	.	H	α-helix	trans	-62.2	-41.1	175.3	-76.2	177.7	176.1	-176.6	0	113.2	N240 I341 T343	N240-K345 PolarHBondContact O-NZ 3.21Å; I341-K345 HydrophobicContact CG2-CD 4.37Å; I341-K345 WeakPolarHBondContact O-CG 3.4Å; I341-K345 PolarHBondContact O-N 2.94Å; I341-K345 VanDerWaalsContact O-N 3.08Å; T343-K345 VanDerWaalsContact C-N 3.31Å; T343-K345 PolarHBondContact O-N 3.35Å
346	K	88.2	Confident	89.1	Confident	177 Å²	177	65.2 Å²	65.2	77%	0.77	31%	0.313	S	S	*	.	H	α-helix	trans	-75.2	-42.6	-176.6	-176.7	179.7	178.7	179.9	0	112.2	E342 T343 D344	E342-K346 WeakPolarHBondContact O-CB 3.46Å; E342-K346 PolarHBondContact O-N 3.43Å; T343-K346 PolarHBondContact O-N 2.73Å; T343-K346 VanDerWaalsContact O-N 3.14Å; D344-K346 PolarHBondContact O-N 2.82Å
347	E	84.6	Confident	88.4	Confident	108 Å²	108	70.2 Å²	70.2	51%	0.505	34%	0.337	S	S	.	.	H	α-helix	trans	-92.8	-13.2	-173.7	-66.4	-177.7	-160.7	0	0	112.7	T343 L349	T343-E347 HydrophobicContact CG2-CG 4.25Å; T343-E347 WeakPolarHBondContact CG2-OE1 3.42Å; T343-E347 WeakPolarHBondContact O-CB 3.32Å; T343-E347 PolarHBondContact O-N 2.69Å; E347-L349 VanDerWaalsContact C-N 3.29Å; E347-L349 HydrophobicContact CB-CD1 4.07Å; E347-L349 HydrophobicContact CB-CD2 4.16Å; E347-L349 HydrophobicContact CB-CG 3.66Å; E347-L349 PolarHBondContact O-N 2.87Å
348	K	72.4	Confident	87.7	Confident	186 Å²	186	75.6 Å²	75.6	81%	0.809	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	46.5	-176	-59.7	-171.9	175.6	-167.8	0	112.1	D344	D344-K348 VanDerWaalsContact O-CA 3.22Å; D344-K348 WeakPolarHBondContact O-CA 3.41Å; D344-K348 PolarHBondContact O-N 3.28Å
349	L	61.3	Low	87	Confident	101 Å²	101	78.3 Å²	78.3	53%	0.529	36%	0.361	S	S	.	.			trans	-70.9	0	-174.7	-69.7	172.9	0	0	0	114.2	L296 T343 E347	L296-L349 HydrophobicContact CD2-CD1 3.71Å; T343-L349 HydrophobicContact CG2-CD1 4.44Å; E347-L349 VanDerWaalsContact C-N 3.29Å; E347-L349 HydrophobicContact CB-CD1 4.07Å; E347-L349 HydrophobicContact CB-CD2 4.16Å; E347-L349 HydrophobicContact CB-CG 3.66Å; E347-L349 PolarHBondContact O-N 2.87Å

Retrieved 349 of 349 residues in 165.3 ms (Link to these results)

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