A0A087YMY6_POEFO Loading...

polynucleotide adenylyltransferase

AlphaFold DB , UniProt , Accession A0A087YMY6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 405 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	39.3	Very low	30.8	Very low	234 Å²	234	136.8 Å²	136.8	100%	1.153	82%	0.824	S	S	*	*				0	133.7	0	-133	159.2	82	0	0	105.7
2	S	30.8	Very low	30.8	Very low	98 Å²	98	138.6 Å²	138.6	69%	0.685	83%	0.825	S	S	*	*			trans	86.1	112.2	175.3	-35.6	0	0	0	0	117.9
3	E	31.8	Very low	30.9	Very low	174 Å²	174	137.8 Å²	137.8	81%	0.813	83%	0.826	S	S	*	*				80.9	116.2	122.4	-67.1	169	173.9	0	0	121.4
4	D	34.2	Very low	31.1	Very low	145 Å²	145	133.2 Å²	133.2	78%	0.775	82%	0.821	S	S	*	*			trans	41	127.1	130.6	-60.4	-29.9	0	0	0	120.1
5	D	29.6	Very low	31.3	Very low	154 Å²	154	130.1 Å²	130.1	82%	0.824	83%	0.825	S	S	*	*				-178.4	162	86.9	-134.1	-26.5	0	0	0	113.1
6	S	33.7	Very low	31.4	Very low	115 Å²	115	126.4 Å²	126.4	80%	0.804	82%	0.82	S	S	*	*			trans	-68.4	141.7	-169.2	-53.9	0	0	0	0	115.1
7	S	28.7	Very low	31.7	Very low	112 Å²	112	127.2 Å²	127.2	78%	0.783	82%	0.822	S	S	*	*			trans	-139.4	121	157.3	87.7	0	0	0	0	112.5
8	C	27.9	Very low	32	Very low	119 Å²	119	126.1 Å²	126.1	80%	0.804	82%	0.816	S	S	*	*			trans	-48.6	135.4	170.3	-104	0	0	0	0	113.4
9	C	26.2	Very low	32.4	Very low	115 Å²	115	126.8 Å²	126.8	78%	0.777	81%	0.813	S	S	*	*			trans	-134.4	103.7	154.9	-81.3	0	0	0	0	108.1	S11	C9-S11 PolarHBondContact O-N 3.23Å
10	C	27.2	Very low	32.9	Very low	125 Å²	125	124.7 Å²	124.7	85%	0.845	81%	0.807	S	S	*	*			trans	-70.2	106.2	169.5	-60.5	0	0	0	0	108.9
11	S	29.4	Very low	34	Very low	114 Å²	114	124.9 Å²	124.9	80%	0.797	80%	0.801	S	S	*	*			trans	-83.1	117.4	165.7	-57.2	0	0	0	0	108.6	C9 P13	C9-S11 PolarHBondContact O-N 3.23Å; S11-P13 WeakPolarHBondContact O-CD 3.43Å
12	N	30.4	Very low	35.4	Very low	158 Å²	158	116.7 Å²	116.7	85%	0.845	77%	0.771	S	S	*	*			trans	-95.4	114.3	174.2	-149.8	23.3	0	0	0	108.2
13	P	33.1	Very low	38.1	Very low	129 Å²	129	116.8 Å²	116.8	84%	0.838	76%	0.764	S	S	*	*			trans	-104.9	89.9	168.7	33.7	-19.8	0	0	0	108.2	S11	S11-P13 WeakPolarHBondContact O-CD 3.43Å
14	G	32.5	Very low	41	Very low	73 Å²	73	109.2 Å²	109.2	75%	0.753	73%	0.73	S	S	*	*			trans	-146.2	90.7	177.4	0	0	0	0	0	110.2
15	G	34.4	Very low	44	Very low	86 Å²	86	104.9 Å²	104.9	89%	0.887	71%	0.709	S	S	*	*			trans	-175.9	104.5	174.2	0	0	0	0	0	111.2
16	G	33.7	Very low	47.2	Very low	72 Å²	72	99.9 Å²	99.9	74%	0.742	69%	0.686	S	S	*	*	S	Bend	trans	134.3	54.1	163.2	0	0	0	0	0	116.6
17	V	36	Very low	50.3	Low	139 Å²	139	98.7 Å²	98.7	84%	0.842	67%	0.673	S	S	*	*	S	Bend	trans	-142.5	-8.7	158.7	-167.7	0	0	0	0	113.9
18	C	36.6	Very low	53.6	Low	107 Å²	107	93.7 Å²	93.7	72%	0.723	64%	0.638	S	S	*	*	S	Bend	trans	-103.4	-8	-164.8	42.2	0	0	0	0	118.8
19	D	39.6	Very low	56.9	Low	140 Å²	140	90.8 Å²	90.8	75%	0.749	62%	0.619	S	S	*	*	S	Bend	trans	-93.3	-19	-174.4	-87.6	-27.2	0	0	0	115.4
20	A	42.7	Very low	60.3	Low	85 Å²	85	87.9 Å²	87.9	70%	0.702	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-30.7	-175.4	0	0	0	0	0	113.4
21	D	55.5	Low	63.6	Low	128 Å²	128	88 Å²	88	68%	0.684	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-19.7	-178.3	-77.8	-21.5	0	0	0	113.4	S24	D21-S24 PolarHBondContact O-OG 3.3Å; D21-S24 VanDerWaalsContact O-OG 3.08Å
22	A	68.7	Low	66.8	Low	63 Å²	63	83.4 Å²	83.4	52%	0.521	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-35.4	-178.3	0	0	0	0	0	112.5
23	N	88.5	Confident	70	Confident	99 Å²	99	75.9 Å²	75.9	53%	0.529	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-12.8	-176.4	-71.8	-1.7	0	0	0	113.7	V25 F230	N23-V25 PolarHBondContact O-N 3.13Å; N23-F230 PolarHBondContact O-N 3.5Å
24	S	93.4	Very high	73.1	Confident	15 Å²	15	74.9 Å²	74.9	11%	0.105	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-3.4	178.7	63.5	0	0	0	0	113.8	D21 E224 S225 G228	D21-S24 PolarHBondContact O-OG 3.3Å; D21-S24 VanDerWaalsContact O-OG 3.08Å; S24-E224 CarbonylContact O-C 3.31Å; S24-E224 WeakPolarHBondContact O-CA 2.99Å; S24-S225 PolarHBondContact O-N 2.93Å; S24-G228 WeakPolarHBondContact CA-O 3.41Å; S24-G228 WeakPolarHBondContact CB-O 3.37Å
25	V	96.5	Very high	76.1	Confident	54 Å²	54	73.9 Å²	73.9	33%	0.327	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	144.3	-172.1	-177.3	0	0	0	0	110.6	N23 V222 G223 E224	N23-V25 PolarHBondContact O-N 3.13Å; V25-V222 HydrophobicContact CG1-CG1 3.1Å; V25-G223 CarbonylContact C-O 3.59Å; V25-G223 WeakPolarHBondContact CA-O 3.19Å; V25-E224 HydrophobicContact CG2-CG 4.34Å
26	S	97.1	Very high	79.1	Confident	49 Å²	49	69.8 Å²	69.8	34%	0.343	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	150.4	173.4	-163.2	0	0	0	0	112.1	G223	S26-G223 PolarHBondContact N-O 2.93Å; S26-G223 PolarHBondContact O-N 3.23Å
27	V	97.7	Very high	82.1	Confident	90 Å²	90	68.3 Å²	68.3	55%	0.545	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	130.4	174.3	177.6	0	0	0	0	109	T220 I221	V27-T220 HydrophobicContact CG1-CG2 3.69Å; V27-T220 HydrophobicContact CG2-CG2 4.2Å; V27-I221 WeakPolarHBondContact CA-O 3.48Å
28	L	98	Very high	84.9	Confident	8 Å²	8	64.3 Å²	64.3	4%	0.042	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-69.5	137.3	177.6	-86.9	64.8	0	0	0	110.7	Q32 V33 V90 L91 I197 I221 G223	L28-Q32 HydrophobicContact CB-CB 3.97Å; L28-Q32 HydrophobicContact CD2-CB 3.99Å; L28-Q32 HydrophobicContact CG-CB 3.91Å; L28-V33 HydrophobicContact CB-CG2 4Å; L28-V90 HydrophobicContact CD2-CG1 3.99Å; L28-L91 HydrophobicContact CD1-CD2 4.1Å; L28-L91 HydrophobicContact CD2-CD2 4.44Å; L28-L91 HydrophobicContact CG-CD2 4.04Å; L28-I197 HydrophobicContact CD1-CG2 4.5Å; L28-I197 HydrophobicContact CD2-CD1 4.19Å; L28-I197 HydrophobicContact CD2-CG2 3.91Å; L28-I221 HydrophobicContact CB-CB 4.38Å; L28-I221 HydrophobicContact CD2-CG2 4.03Å; L28-I221 PolarHBondContact N-O 3.05Å; L28-G223 VanDerWaalsContact CD1-N 3.33Å
29	S	97.5	Very high	87.7	Confident	57 Å²	57	59.6 Å²	59.6	40%	0.399	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-67.6	160.6	168.4	60.4	0	0	0	0	111.8	E31 Q32 V33	S29-E31 VanDerWaalsContact C-N 3.29Å; S29-E31 PolarHBondContact O-N 3.22Å; S29-Q32 WeakPolarHBondContact O-CA 3.46Å; S29-Q32 WeakPolarHBondContact O-CB 3.38Å; S29-Q32 PolarHBondContact O-N 3.35Å; S29-Q32 VanDerWaalsContact OG-CD 3.27Å; S29-Q32 VanDerWaalsContact OG-CG 3.31Å; S29-Q32 WeakPolarHBondContact OG-CG 3.21Å; S29-Q32 PolarHBondContact OG-OE1 2.87Å; S29-V33 WeakPolarHBondContact O-CG2 3.34Å; S29-V33 PolarHBondContact O-N 2.96Å
30	W	97.1	Very high	90.4	Very high	54 Å²	54	53 Å²	53	21%	0.205	31%	0.309	C	S	.	.	H	α-helix	trans	-53.5	-43	178	170.6	-120.1	0	0	0	113.1	Q32 V33 Q34 M213 S214 E215 H218	W30-Q32 VanDerWaalsContact C-N 3.28Å; W30-Q32 PolarHBondContact O-N 2.89Å; W30-V33 HydrophobicContact CE3-CB 4.19Å; W30-V33 HydrophobicContact CE3-CG1 4.2Å; W30-V33 HydrophobicContact CZ3-CG1 4.07Å; W30-V33 PolarHBondContact O-N 2.91Å; W30-V33 VanDerWaalsContact O-N 3.16Å; W30-Q34 HydrophobicContact CZ2-CB 4.47Å; W30-Q34 WeakPolarHBondContact O-CB 3.43Å; W30-Q34 PolarHBondContact O-N 3.44Å; W30-M213 HydrophobicContact CH2-CB 3.84Å; W30-M213 HydrophobicContact CZ3-CB 4.05Å; W30-S214 VanDerWaalsContact CH2-C 3.49Å; W30-E215 HydrophobicContact CB-CG 4.37Å; W30-E215 HydrophobicContact CD2-CB 4.26Å; W30-E215 HydrophobicContact CG-CB 4.09Å; W30-E215 HydrophobicContact CG-CG 3.97Å; W30-H218 HydrophobicContact CE3-CB 3.84Å; W30-H218 AromaticContact CE3-CE1 3.81Å; W30-H218 AromaticContact CE3-CG 3.5Å; W30-H218 AromaticContact CE3-ND1 3.34Å; W30-H218 VanDerWaalsContact CE3-ND1 3.34Å; W30-H218 HydrophobicContact CZ3-CB 3.5Å; W30-H218 AromaticContact CZ3-CG 3.74Å; W30-H218 AromaticContact CZ3-ND1 3.82Å
31	E	96.9	Very high	92.8	Very high	128 Å²	128	50.8 Å²	50.8	60%	0.598	29%	0.287	S	S	*	.	H	α-helix	trans	-60.5	-37.9	176.9	-63.8	-177.7	179.9	0	0	112.6	S29 R35	S29-E31 VanDerWaalsContact C-N 3.29Å; S29-E31 PolarHBondContact O-N 3.22Å; E31-R35 WeakPolarHBondContact O-CG 3.46Å; E31-R35 PolarHBondContact O-N 3.29Å; E31-R35 VanDerWaalsContact O-N 3.09Å
32	Q	97.6	Very high	94.6	Very high	18 Å²	18	48.2 Å²	48.2	8%	0.084	27%	0.271	C	S	.	.	H	α-helix	trans	-70.8	-41.1	176.2	-67.6	166.6	-36	0	0	110.8	L28 S29 W30 Q34 R35 L36 V90 L91	L28-Q32 HydrophobicContact CB-CB 3.97Å; L28-Q32 HydrophobicContact CD2-CB 3.99Å; L28-Q32 HydrophobicContact CG-CB 3.91Å; S29-Q32 WeakPolarHBondContact O-CA 3.46Å; S29-Q32 WeakPolarHBondContact O-CB 3.38Å; S29-Q32 PolarHBondContact O-N 3.35Å; S29-Q32 VanDerWaalsContact OG-CD 3.27Å; S29-Q32 VanDerWaalsContact OG-CG 3.31Å; S29-Q32 WeakPolarHBondContact OG-CG 3.21Å; S29-Q32 PolarHBondContact OG-OE1 2.87Å; W30-Q32 VanDerWaalsContact C-N 3.28Å; W30-Q32 PolarHBondContact O-N 2.89Å; Q32-Q34 VanDerWaalsContact C-N 3.33Å; Q32-Q34 PolarHBondContact O-N 3.26Å; Q32-R35 PolarHBondContact O-N 3.49Å; Q32-L36 WeakPolarHBondContact O-CB 3.04Å; Q32-L36 PolarHBondContact O-N 3.32Å; Q32-V90 HydrophobicContact CB-CG1 4.28Å; Q32-V90 VanDerWaalsContact O-CG1 3.31Å; Q32-V90 WeakPolarHBondContact O-CG1 3.42Å; Q32-L91 PolarHBondContact NE2-O 3.24Å; Q32-L91 VanDerWaalsContact NE2-O 3.08Å
33	V	98.1	Very high	95.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.2	-43.9	174.5	174.4	0	0	0	0	110.8	L28 S29 W30 R35 L36 D37 M213 H218 I221	L28-V33 HydrophobicContact CB-CG2 4Å; S29-V33 WeakPolarHBondContact O-CG2 3.34Å; S29-V33 PolarHBondContact O-N 2.96Å; W30-V33 HydrophobicContact CE3-CB 4.19Å; W30-V33 HydrophobicContact CE3-CG1 4.2Å; W30-V33 HydrophobicContact CZ3-CG1 4.07Å; W30-V33 PolarHBondContact O-N 2.91Å; W30-V33 VanDerWaalsContact O-N 3.16Å; V33-R35 PolarHBondContact O-N 3.03Å; V33-L36 WeakPolarHBondContact O-CB 3.31Å; V33-L36 PolarHBondContact O-N 3.32Å; V33-D37 WeakPolarHBondContact O-CB 3.36Å; V33-D37 PolarHBondContact O-N 3.34Å; V33-M213 HydrophobicContact CG1-SD 4.29Å; V33-H218 HydrophobicContact CG1-CB 4.43Å; V33-I221 HydrophobicContact CB-CD1 4.35Å; V33-I221 HydrophobicContact CG1-CD1 3.79Å; V33-I221 HydrophobicContact CG2-CB 4.28Å; V33-I221 HydrophobicContact CG2-CD1 3.97Å; V33-I221 HydrophobicContact CG2-CG1 4.16Å
34	Q	96.9	Very high	95.9	Very high	108 Å²	108	44.3 Å²	44.3	51%	0.505	24%	0.244	S	C	.	.	H	α-helix	trans	-63.7	-41.3	177.9	-172.4	-179.1	-26.5	0	0	112	W30 Q32 D37 A38	W30-Q34 HydrophobicContact CZ2-CB 4.47Å; W30-Q34 WeakPolarHBondContact O-CB 3.43Å; W30-Q34 PolarHBondContact O-N 3.44Å; Q32-Q34 VanDerWaalsContact C-N 3.33Å; Q32-Q34 PolarHBondContact O-N 3.26Å; Q34-D37 PolarHBondContact O-N 3.14Å; Q34-A38 WeakPolarHBondContact O-CB 3.47Å; Q34-A38 PolarHBondContact O-N 3.11Å
35	R	96.4	Very high	95.8	Very high	52 Å²	52	44.3 Å²	44.3	20%	0.196	24%	0.244	C	C	.	.	H	α-helix	trans	-64.6	-40.2	173.8	-75.4	-169.9	-64.9	-90.6	-3.1	112.1	E31 Q32 V33 A38 I39 V90	E31-R35 WeakPolarHBondContact O-CG 3.46Å; E31-R35 PolarHBondContact O-N 3.29Å; E31-R35 VanDerWaalsContact O-N 3.09Å; Q32-R35 PolarHBondContact O-N 3.49Å; V33-R35 PolarHBondContact O-N 3.03Å; R35-A38 PolarHBondContact O-N 3.25Å; R35-I39 WeakPolarHBondContact O-CG1 3.37Å; R35-I39 PolarHBondContact O-N 2.83Å; R35-I39 VanDerWaalsContact O-N 3.12Å; R35-V90 PolarHBondContact NE-O 3.48Å; R35-V90 PolarHBondContact NH2-O 3.16Å
36	L	97.5	Very high	95.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.5	-46	175.8	-179.9	63.9	0	0	0	111.8	Q32 V33 A38 I39 L40 L82 V90 I197 L199 L202 I221	Q32-L36 WeakPolarHBondContact O-CB 3.04Å; Q32-L36 PolarHBondContact O-N 3.32Å; V33-L36 WeakPolarHBondContact O-CB 3.31Å; V33-L36 PolarHBondContact O-N 3.32Å; L36-A38 VanDerWaalsContact C-N 3.33Å; L36-A38 PolarHBondContact O-N 3.21Å; L36-I39 PolarHBondContact O-N 3.42Å; L36-L40 HydrophobicContact CD1-CD1 4.14Å; L36-L40 HydrophobicContact CD1-CG 4.29Å; L36-L40 HydrophobicContact CG-CD1 4.13Å; L36-L40 WeakPolarHBondContact O-CG 3.45Å; L36-L40 PolarHBondContact O-N 2.51Å; L36-L82 HydrophobicContact CD1-CD2 3.55Å; L36-V90 HydrophobicContact CB-CG1 3.95Å; L36-V90 HydrophobicContact CB-CG2 4.24Å; L36-V90 HydrophobicContact CD1-CG2 4.13Å; L36-I197 HydrophobicContact CD2-CG2 3.79Å; L36-L199 HydrophobicContact CD1-CD2 3.97Å; L36-L199 HydrophobicContact CD2-CD2 4.16Å; L36-L202 HydrophobicContact CD2-CD2 3.75Å; L36-L202 HydrophobicContact CG-CD2 3.88Å; L36-I221 HydrophobicContact CD2-CD1 3.67Å; L36-I221 HydrophobicContact CD2-CG2 3.92Å
37	D	96.7	Very high	95.5	Very high	41 Å²	41	40.9 Å²	40.9	22%	0.219	22%	0.219	C	C	.	.	H	α-helix	trans	-58.2	-46.1	176.4	-178.5	57.7	0	0	0	111.4	V33 Q34 I39 L40 T41 Y206 M213	V33-D37 WeakPolarHBondContact O-CB 3.36Å; V33-D37 PolarHBondContact O-N 3.34Å; Q34-D37 PolarHBondContact O-N 3.14Å; D37-I39 VanDerWaalsContact C-N 3.32Å; D37-I39 PolarHBondContact O-N 2.97Å; D37-L40 PolarHBondContact O-N 2.98Å; D37-T41 WeakPolarHBondContact O-CB 3.31Å; D37-T41 VanDerWaalsContact O-CG2 3.29Å; D37-T41 WeakPolarHBondContact O-CG2 3.41Å; D37-T41 PolarHBondContact O-N 2.91Å; D37-T41 PolarHBondContact O-OG1 3.23Å; D37-Y206 WeakPolarHBondContact OD1-CE1 3.48Å; D37-Y206 PolarHBondContact OD1-OH 2.88Å; D37-M213 HydrophobicContact CB-CE 3.5Å; D37-M213 VanDerWaalsContact CB-CE 3.5Å; D37-M213 WeakPolarHBondContact OD1-CE 3.44Å
38	A	95.1	Very high	95.2	Very high	54 Å²	54	37.4 Å²	37.4	45%	0.446	20%	0.201	S	C	.	.	H	α-helix	trans	-57.3	-44.6	176.8	0	0	0	0	0	111.8	Q34 R35 L36 T41 E42	Q34-A38 WeakPolarHBondContact O-CB 3.47Å; Q34-A38 PolarHBondContact O-N 3.11Å; R35-A38 PolarHBondContact O-N 3.25Å; L36-A38 VanDerWaalsContact C-N 3.33Å; L36-A38 PolarHBondContact O-N 3.21Å; A38-T41 PolarHBondContact O-OG1 2.96Å; A38-E42 VanDerWaalsContact O-CB 3.31Å; A38-E42 WeakPolarHBondContact O-CB 3.39Å; A38-E42 PolarHBondContact O-N 3.07Å
39	I	94.6	Very high	94.9	Very high	9 Å²	9	43.3 Å²	43.3	5%	0.046	22%	0.222	C	C	.	.	H	α-helix	trans	-64.9	-41.4	177.7	-68.1	172.3	0	0	0	111.7	R35 L36 D37 V90 L102	R35-I39 WeakPolarHBondContact O-CG1 3.37Å; R35-I39 PolarHBondContact O-N 2.83Å; R35-I39 VanDerWaalsContact O-N 3.12Å; L36-I39 PolarHBondContact O-N 3.42Å; D37-I39 VanDerWaalsContact C-N 3.32Å; D37-I39 PolarHBondContact O-N 2.97Å; I39-V90 HydrophobicContact CD1-CG2 3.48Å; I39-V90 VanDerWaalsContact CD1-CG2 3.48Å; I39-L102 HydrophobicContact CG2-CD1 3.53Å
40	L	95.4	Very high	94.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-78.3	-20.5	-176.1	-68	-180	0	0	0	113.9	L36 D37 P59 R60 L199 L202	L36-L40 HydrophobicContact CD1-CD1 4.14Å; L36-L40 HydrophobicContact CD1-CG 4.29Å; L36-L40 HydrophobicContact CG-CD1 4.13Å; L36-L40 WeakPolarHBondContact O-CG 3.45Å; L36-L40 PolarHBondContact O-N 2.51Å; D37-L40 PolarHBondContact O-N 2.98Å; L40-P59 HydrophobicContact CD2-CB 3.87Å; L40-P59 WeakPolarHBondContact O-CD 3.35Å; L40-R60 HydrophobicContact CB-CB 4.33Å; L40-R60 WeakPolarHBondContact O-CB 3.48Å; L40-R60 VanDerWaalsContact O-CG 3.32Å; L40-R60 WeakPolarHBondContact O-CG 3.31Å; L40-R60 PolarHBondContact O-N 3.32Å; L40-R60 VanDerWaalsContact O-N 3.09Å; L40-L199 HydrophobicContact CD1-CD1 4.39Å; L40-L199 HydrophobicContact CD1-CD2 4.05Å; L40-L199 HydrophobicContact CD2-CD1 4.21Å; L40-L202 HydrophobicContact CD1-CD2 3.63Å; L40-L202 HydrophobicContact CD1-CG 4.5Å
41	T	94.7	Very high	94.1	Very high	39 Å²	39	49.8 Å²	49.8	24%	0.239	28%	0.275	C	S	.	.	H	α-helix	trans	-99.2	-16.1	177.9	59.5	0	0	0	0	113.1	D37 A38 T43 Q58	D37-T41 WeakPolarHBondContact O-CB 3.31Å; D37-T41 VanDerWaalsContact O-CG2 3.29Å; D37-T41 WeakPolarHBondContact O-CG2 3.41Å; D37-T41 PolarHBondContact O-N 2.91Å; D37-T41 PolarHBondContact O-OG1 3.23Å; A38-T41 PolarHBondContact O-OG1 2.96Å; T41-T43 PolarHBondContact O-N 3.24Å; T41-Q58 PolarHBondContact O-NE2 2.91Å; T41-Q58 VanDerWaalsContact O-NE2 3.15Å
42	E	92.5	Very high	93.8	Very high	75 Å²	75	46.7 Å²	46.7	35%	0.35	26%	0.259	S	S	.	.	S	Bend	trans	-56.9	123.3	172.9	-173.4	-177	-176.2	0	0	109.8	A38 I44 P59 Y99 K174	A38-E42 VanDerWaalsContact O-CB 3.31Å; A38-E42 WeakPolarHBondContact O-CB 3.39Å; A38-E42 PolarHBondContact O-N 3.07Å; E42-I44 HydrophobicContact CG-CG2 4.22Å; E42-I44 PolarHBondContact O-N 3.33Å; E42-P59 VanDerWaalsContact O-CD 3.25Å; E42-P59 WeakPolarHBondContact O-CD 3.48Å; E42-Y99 PolarHBondContact OE2-OH 2.89Å; E42-K174 IonicContact OE1-NZ 3.11Å; E42-K174 PolarHBondContact OE1-NZ 3.37Å; E42-K174 IonicContact OE2-NZ 3.96Å
43	T	92.4	Very high	93.6	Very high	69 Å²	69	47.8 Å²	47.8	42%	0.423	27%	0.268	S	S	.	.			trans	-74	121.6	171.1	-57.3	0	0	0	0	108.8	T41 E56 Q58	T41-T43 PolarHBondContact O-N 3.24Å; T43-E56 HydrophobicContact CG2-CB 3.76Å; T43-E56 WeakPolarHBondContact CG2-OE2 3.48Å; T43-Q58 PolarHBondContact OG1-NE2 3.09Å
44	I	91	Very high	93.4	Very high	11 Å²	11	50.6 Å²	50.6	6%	0.056	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	135.8	-177.9	55.5	175.1	0	0	0	111.2	E42 M57 P59 L102 V176	E42-I44 HydrophobicContact CG-CG2 4.22Å; E42-I44 PolarHBondContact O-N 3.33Å; I44-M57 WeakPolarHBondContact CG1-O 3.29Å; I44-M57 PolarHBondContact N-O 2.9Å; I44-M57 PolarHBondContact O-N 2.92Å; I44-M57 VanDerWaalsContact O-N 3.11Å; I44-P59 HydrophobicContact CD1-CG 3.88Å; I44-P59 HydrophobicContact CG1-CG 4.47Å; I44-L102 HydrophobicContact CD1-CD2 4.23Å; I44-V176 HydrophobicContact CD1-CG2 3.2Å; I44-V176 HydrophobicContact CG1-CG2 4.37Å
45	P	92.4	Very high	93.2	Very high	14 Å²	14	45.5 Å²	45.5	9%	0.091	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	123.3	-179.5	30.9	-34.2	0	0	0	111.7	H47 T54 L55 N170	P45-H47 PolarHBondContact O-ND1 2.9Å; P45-T54 HydrophobicContact CB-CG2 3.62Å; P45-L55 CarbonylContact C-O 3.39Å; P45-L55 WeakPolarHBondContact CA-O 3.4Å; P45-N170 VanDerWaalsContact O-CG 3.27Å; P45-N170 PolarHBondContact O-ND2 3.18Å
46	I	93.6	Very high	93	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	110.5	169.8	-49.5	-167.5	0	0	0	108.4	G48 T54 L55 M57 I62 Y149 L168 S169 V176	I46-G48 PolarHBondContact O-N 3.25Å; I46-T54 WeakPolarHBondContact O-CA 3.5Å; I46-L55 HydrophobicContact CB-CB 4.2Å; I46-L55 PolarHBondContact N-O 2.83Å; I46-L55 PolarHBondContact O-N 3.32Å; I46-M57 HydrophobicContact CD1-CB 4.41Å; I46-M57 HydrophobicContact CD1-CE 4.12Å; I46-M57 HydrophobicContact CD1-CG 4.42Å; I46-M57 HydrophobicContact CD1-SD 3.51Å; I46-M57 VanDerWaalsContact CD1-SD 3.51Å; I46-M57 HydrophobicContact CG1-SD 4.17Å; I46-I62 HydrophobicContact CD1-CD1 4.43Å; I46-Y149 HydrophobicContact CG2-CD1 4.18Å; I46-L168 HydrophobicContact CD1-CB 4.08Å; I46-L168 HydrophobicContact CD1-CD1 3.57Å; I46-L168 HydrophobicContact CD1-CG 4.46Å; I46-L168 HydrophobicContact CG2-CB 3.9Å; I46-S169 CarbonylContact C-O 3.57Å; I46-S169 WeakPolarHBondContact CA-O 3.47Å; I46-V176 HydrophobicContact CD1-CG2 4.5Å
47	H	92.5	Very high	92.7	Very high	30 Å²	30	48.7 Å²	48.7	14%	0.139	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-83.3	121.9	-169.6	-65.2	72.9	0	0	0	110.6	P45 S169 N170 N171	P45-H47 PolarHBondContact O-ND1 2.9Å; H47-S169 PolarHBondContact N-O 2.83Å; H47-N170 PolarHBondContact CE1-OD1 2.85Å; H47-N171 HydrophobicContact CB-CB 4.45Å; H47-N171 PolarHBondContact ND1-N 2.81Å
48	G	92.4	Very high	92.5	Very high	16 Å²	16	48.2 Å²	48.2	17%	0.165	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-74	140.1	169.8	0	0	0	0	0	111.8	I46	I46-G48 PolarHBondContact O-N 3.25Å
49	R	91	Very high	92.5	Very high	132 Å²	132	45.7 Å²	45.7	50%	0.498	25%	0.254	S	S	.	.	S	Bend	trans	-78.9	148.3	171	-68.1	-179.7	-179.3	174.3	1.1	111.3	N51 F52 E147 A148	R49-N51 PolarHBondContact O-N 2.89Å; R49-F52 PolarHBondContact O-N 3.45Å; R49-E147 WeakPolarHBondContact CD-O 3.35Å; R49-A148 WeakPolarHBondContact CG-O 3.32Å; R49-A148 PolarHBondContact N-O 2.94Å
50	G	88.9	Confident	92.5	Very high	76 Å²	76	49 Å²	49	78%	0.784	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	-125.4	-179.7	0	0	0	0	0	111.3
51	N	88.7	Confident	92.4	Very high	172 Å²	172	52.8 Å²	52.8	92%	0.92	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	8	-177.2	-61.5	-30	0	0	0	113.5	R49	R49-N51 PolarHBondContact O-N 2.89Å
52	F	92	Very high	92.4	Very high	63 Å²	63	51.1 Å²	51.1	28%	0.276	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-72.5	138.2	176.6	-81.5	-96.6	0	0	0	110.5	R49 I140 A148 Y149	R49-F52 PolarHBondContact O-N 3.45Å; F52-I140 HydrophobicContact CE1-CD1 4.49Å; F52-A148 HydrophobicContact CB-CB 3.99Å; F52-A148 HydrophobicContact CD1-CB 3.78Å; F52-A148 HydrophobicContact CD2-CB 3.57Å; F52-A148 HydrophobicContact CE1-CB 4.13Å; F52-A148 HydrophobicContact CE2-CB 3.94Å; F52-A148 HydrophobicContact CG-CB 3.49Å; F52-A148 VanDerWaalsContact CG-CB 3.49Å; F52-A148 HydrophobicContact CZ-CB 4.2Å; F52-Y149 HydrophobicContact CB-CE2 4.39Å; F52-Y149 AromaticContact CD1-CE2 3.82Å; F52-Y149 HydrophobicContact CD1-CE2 3.82Å; F52-Y149 HydrophobicContact CG-CE2 4.42Å
53	P	92.9	Very high	92.6	Very high	41 Å²	41	47.5 Å²	47.5	27%	0.266	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-65.1	162.6	-179	28.8	-35.7	0	0	0	111.7	L131 P132 V135 Y149	P53-L131 HydrophobicContact CG-CD2 3.65Å; P53-P132 HydrophobicContact CB-CG 4.45Å; P53-P132 HydrophobicContact CG-CG 4.45Å; P53-V135 HydrophobicContact CG-CG2 4.25Å; P53-Y149 WeakPolarHBondContact CD-OH 3.47Å; P53-Y149 VanDerWaalsContact O-CE1 3.26Å; P53-Y149 WeakPolarHBondContact O-CE1 3.28Å; P53-Y149 PolarHBondContact O-OH 3Å
54	T	93.7	Very high	92.7	Very high	59 Å²	59	49 Å²	49	36%	0.362	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-79.6	131.7	166.8	-61.3	0	0	0	0	108.6	P45 I46	P45-T54 HydrophobicContact CB-CG2 3.62Å; I46-T54 WeakPolarHBondContact O-CA 3.5Å
55	L	93.6	Very high	92.9	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	132.5	175.1	-47.6	176.8	0	0	0	109	P45 I46 M57 L127 F130 L131 Y149	P45-L55 CarbonylContact C-O 3.39Å; P45-L55 WeakPolarHBondContact CA-O 3.4Å; I46-L55 HydrophobicContact CB-CB 4.2Å; I46-L55 PolarHBondContact N-O 2.83Å; I46-L55 PolarHBondContact O-N 3.32Å; L55-M57 HydrophobicContact CB-CG 3.97Å; L55-M57 HydrophobicContact CB-SD 3.73Å; L55-M57 HydrophobicContact CD1-SD 3.8Å; L55-M57 HydrophobicContact CG-SD 4.42Å; L55-L127 HydrophobicContact CD1-CB 4.43Å; L55-L127 HydrophobicContact CD1-CD2 3.78Å; L55-F130 HydrophobicContact CD1-CB 4.45Å; L55-L131 HydrophobicContact CD2-CD2 3.77Å; L55-L131 HydrophobicContact CD2-CG 4.2Å; L55-Y149 HydrophobicContact CD1-CD1 4.04Å; L55-Y149 HydrophobicContact CD1-CE1 3.85Å; L55-Y149 HydrophobicContact CD1-CE2 4.33Å; L55-Y149 HydrophobicContact CD1-CG 4.37Å; L55-Y149 HydrophobicContact CD2-CE1 4.19Å; L55-Y149 HydrophobicContact CG-CD1 4.25Å; L55-Y149 HydrophobicContact CG-CE1 3.64Å
56	E	91.7	Very high	93.1	Very high	115 Å²	115	49.8 Å²	49.8	54%	0.537	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	107.4	174.3	-64.6	-61.4	159.1	0	0	108.1	T43	T43-E56 HydrophobicContact CG2-CB 3.76Å; T43-E56 WeakPolarHBondContact CG2-OE2 3.48Å
57	M	91.4	Very high	93.3	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.015	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	145.2	-168.9	-64.4	176.8	58.6	0	0	110.8	I44 I46 L55 I62 L127 F130	I44-M57 WeakPolarHBondContact CG1-O 3.29Å; I44-M57 PolarHBondContact N-O 2.9Å; I44-M57 PolarHBondContact O-N 2.92Å; I44-M57 VanDerWaalsContact O-N 3.11Å; I46-M57 HydrophobicContact CD1-CB 4.41Å; I46-M57 HydrophobicContact CD1-CE 4.12Å; I46-M57 HydrophobicContact CD1-CG 4.42Å; I46-M57 HydrophobicContact CD1-SD 3.51Å; I46-M57 VanDerWaalsContact CD1-SD 3.51Å; I46-M57 HydrophobicContact CG1-SD 4.17Å; L55-M57 HydrophobicContact CB-CG 3.97Å; L55-M57 HydrophobicContact CB-SD 3.73Å; L55-M57 HydrophobicContact CD1-SD 3.8Å; L55-M57 HydrophobicContact CG-SD 4.42Å; M57-I62 HydrophobicContact CB-CD1 4.08Å; M57-I62 HydrophobicContact CB-CG1 4.3Å; M57-I62 HydrophobicContact CE-CD1 3.65Å; M57-I62 HydrophobicContact CE-CG1 3.45Å; M57-I62 VanDerWaalsContact CE-CG1 3.45Å; M57-L127 HydrophobicContact CE-CD2 4.48Å; M57-L127 HydrophobicContact SD-CD2 4.36Å; M57-F130 HydrophobicContact CE-CB 4.32Å; M57-F130 HydrophobicContact CE-CD1 4.26Å; M57-F130 HydrophobicContact CE-CD2 3.12Å; M57-F130 HydrophobicContact CE-CE1 4.41Å; M57-F130 HydrophobicContact CE-CE2 3.36Å; M57-F130 HydrophobicContact CE-CG 3.66Å; M57-F130 HydrophobicContact CE-CZ 4.01Å; M57-F130 HydrophobicContact CG-CB 4.02Å; M57-F130 HydrophobicContact CG-CD1 3.86Å; M57-F130 HydrophobicContact CG-CD2 4.29Å; M57-F130 HydrophobicContact CG-CE1 4.41Å; M57-F130 HydrophobicContact CG-CG 3.8Å; M57-F130 HydrophobicContact SD-CB 3.81Å; M57-F130 HydrophobicContact SD-CD1 4.4Å; M57-F130 HydrophobicContact SD-CD2 3.79Å; M57-F130 HydrophobicContact SD-CG 3.75Å
58	Q	93.1	Very high	93.4	Very high	31 Å²	31	53.5 Å²	53.5	15%	0.145	28%	0.282	C	S	.	.			trans	-102.2	135.7	171.4	-63.8	-179	-15.2	0	0	110	T41 T43 R60 Q61 I62	T41-Q58 PolarHBondContact O-NE2 2.91Å; T41-Q58 VanDerWaalsContact O-NE2 3.15Å; T43-Q58 PolarHBondContact OG1-NE2 3.09Å; Q58-R60 HydrophobicContact CB-CG 4.13Å; Q58-R60 PolarHBondContact O-N 3.49Å; Q58-R60 VanDerWaalsContact OE1-CZ 3.3Å; Q58-Q61 HydrophobicContact CB-CB 4.4Å; Q58-Q61 HydrophobicContact CB-CG 4.06Å; Q58-Q61 WeakPolarHBondContact O-CA 3.47Å; Q58-Q61 WeakPolarHBondContact O-CB 3.45Å; Q58-Q61 PolarHBondContact O-N 3Å; Q58-I62 PolarHBondContact O-N 2.9Å; Q58-I62 VanDerWaalsContact O-N 3.11Å
59	P	94.4	Very high	93.6	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.006	29%	0.285	C	S	.	.	H	α-helix	trans	-53.2	-40.5	179.5	-30.2	37.1	0	0	0	113.9	L40 E42 I44 Q61 I62 V63 L102	L40-P59 HydrophobicContact CD2-CB 3.87Å; L40-P59 WeakPolarHBondContact O-CD 3.35Å; E42-P59 VanDerWaalsContact O-CD 3.25Å; E42-P59 WeakPolarHBondContact O-CD 3.48Å; I44-P59 HydrophobicContact CD1-CG 3.88Å; I44-P59 HydrophobicContact CG1-CG 4.47Å; P59-Q61 VanDerWaalsContact C-N 3.27Å; P59-Q61 PolarHBondContact O-N 3.47Å; P59-I62 PolarHBondContact O-N 3.12Å; P59-V63 WeakPolarHBondContact O-CG2 3.48Å; P59-V63 PolarHBondContact O-N 3.42Å; P59-L102 HydrophobicContact CB-CD2 3.51Å; P59-L102 HydrophobicContact CG-CD2 3.23Å
60	R	94.6	Very high	93.9	Very high	79 Å²	79	49.3 Å²	49.3	30%	0.298	26%	0.262	S	S	.	.	H	α-helix	trans	-59.1	-36.6	175.9	69.3	-174.6	-178.1	157.8	1.1	113.1	L40 Q58 K64 Y206	L40-R60 HydrophobicContact CB-CB 4.33Å; L40-R60 WeakPolarHBondContact O-CB 3.48Å; L40-R60 VanDerWaalsContact O-CG 3.32Å; L40-R60 WeakPolarHBondContact O-CG 3.31Å; L40-R60 PolarHBondContact O-N 3.32Å; L40-R60 VanDerWaalsContact O-N 3.09Å; Q58-R60 HydrophobicContact CB-CG 4.13Å; Q58-R60 PolarHBondContact O-N 3.49Å; Q58-R60 VanDerWaalsContact OE1-CZ 3.3Å; R60-K64 VanDerWaalsContact O-CB 3.31Å; R60-K64 WeakPolarHBondContact O-CB 3.26Å; R60-K64 PolarHBondContact O-N 3.45Å; R60-Y206 HydrophobicContact CB-CD2 4.26Å; R60-Y206 HydrophobicContact CB-CE2 3.99Å
61	Q	93.7	Very high	94.3	Very high	80 Å²	80	48.9 Å²	48.9	37%	0.374	24%	0.239	S	C	.	.	H	α-helix	trans	-72	-41.5	178.6	-67.9	174.8	-36.9	0	0	110.6	Q58 P59 K64 V65 F130	Q58-Q61 HydrophobicContact CB-CB 4.4Å; Q58-Q61 HydrophobicContact CB-CG 4.06Å; Q58-Q61 WeakPolarHBondContact O-CA 3.47Å; Q58-Q61 WeakPolarHBondContact O-CB 3.45Å; Q58-Q61 PolarHBondContact O-N 3Å; P59-Q61 VanDerWaalsContact C-N 3.27Å; P59-Q61 PolarHBondContact O-N 3.47Å; Q61-K64 PolarHBondContact O-N 3.19Å; Q61-V65 WeakPolarHBondContact O-CG2 3.32Å; Q61-V65 PolarHBondContact O-N 3Å; Q61-F130 HydrophobicContact CB-CE1 4.31Å; Q61-F130 HydrophobicContact CB-CZ 4.22Å
62	I	94.2	Very high	94.7	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.015	23%	0.226	C	C	.	.	H	α-helix	trans	-58	-52.2	175.5	-57.9	177.3	0	0	0	109.7	I46 M57 Q58 P59 K64 V65 V66 V176 L178	I46-I62 HydrophobicContact CD1-CD1 4.43Å; M57-I62 HydrophobicContact CB-CD1 4.08Å; M57-I62 HydrophobicContact CB-CG1 4.3Å; M57-I62 HydrophobicContact CE-CD1 3.65Å; M57-I62 HydrophobicContact CE-CG1 3.45Å; M57-I62 VanDerWaalsContact CE-CG1 3.45Å; Q58-I62 PolarHBondContact O-N 2.9Å; Q58-I62 VanDerWaalsContact O-N 3.11Å; P59-I62 PolarHBondContact O-N 3.12Å; I62-K64 VanDerWaalsContact C-N 3.33Å; I62-K64 PolarHBondContact O-N 2.71Å; I62-V65 PolarHBondContact O-N 2.99Å; I62-V66 HydrophobicContact CG2-CG2 4.17Å; I62-V66 VanDerWaalsContact O-CB 3.31Å; I62-V66 WeakPolarHBondContact O-CB 3.43Å; I62-V66 VanDerWaalsContact O-CG2 3.22Å; I62-V66 WeakPolarHBondContact O-CG2 3.46Å; I62-V66 PolarHBondContact O-N 3.37Å; I62-V176 HydrophobicContact CD1-CG1 4.3Å; I62-L178 HydrophobicContact CG2-CD1 4.06Å; I62-L178 HydrophobicContact CG2-CD2 3.85Å
63	V	96	Very high	94.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.8	-46.7	-179.9	173.4	0	0	0	0	111.2	P59 R67 V80 L104 F106 L203	P59-V63 WeakPolarHBondContact O-CG2 3.48Å; P59-V63 PolarHBondContact O-N 3.42Å; V63-R67 WeakPolarHBondContact O-CB 3.31Å; V63-R67 PolarHBondContact O-N 2.85Å; V63-V80 HydrophobicContact CG1-CB 4.18Å; V63-V80 HydrophobicContact CG1-CG1 3.74Å; V63-V80 HydrophobicContact CG1-CG2 4.03Å; V63-V80 HydrophobicContact CG2-CG1 4.27Å; V63-L104 HydrophobicContact CG2-CD1 3.71Å; V63-L104 HydrophobicContact CG2-CD2 4.01Å; V63-L104 HydrophobicContact CG2-CG 4.36Å; V63-F106 HydrophobicContact CB-CZ 4.4Å; V63-F106 HydrophobicContact CG1-CE1 4.17Å; V63-F106 HydrophobicContact CG1-CZ 4.41Å; V63-F106 HydrophobicContact CG2-CZ 4.12Å; V63-L203 HydrophobicContact CB-CD2 4.38Å; V63-L203 HydrophobicContact CG1-CD1 3.48Å; V63-L203 VanDerWaalsContact CG1-CD1 3.48Å; V63-L203 HydrophobicContact CG1-CD2 4.08Å; V63-L203 HydrophobicContact CG1-CG 4.44Å
64	K	94.8	Very high	95	Very high	100 Å²	100	56.8 Å²	56.8	44%	0.435	27%	0.266	S	S	.	.	H	α-helix	trans	-58.4	-55.5	179.5	-178	173.1	-179.1	168.4	0	111.7	R60 Q61 I62 V66 R67 S68 E207	R60-K64 VanDerWaalsContact O-CB 3.31Å; R60-K64 WeakPolarHBondContact O-CB 3.26Å; R60-K64 PolarHBondContact O-N 3.45Å; Q61-K64 PolarHBondContact O-N 3.19Å; I62-K64 VanDerWaalsContact C-N 3.33Å; I62-K64 PolarHBondContact O-N 2.71Å; K64-V66 PolarHBondContact O-N 2.92Å; K64-R67 PolarHBondContact O-N 3.4Å; K64-S68 WeakPolarHBondContact O-CB 3.4Å; K64-S68 PolarHBondContact O-N 3.08Å; K64-S68 PolarHBondContact O-OG 2.92Å; K64-S68 VanDerWaalsContact O-OG 3.05Å; K64-E207 VanDerWaalsContact CE-OE1 3.28Å; K64-E207 WeakPolarHBondContact CE-OE1 3.29Å; K64-E207 IonicContact NZ-OE1 3.78Å
65	V	95.3	Very high	95.1	Very high	42 Å²	42	54.2 Å²	54.2	26%	0.255	25%	0.25	S	S	.	.	H	α-helix	trans	-64.3	-44	-175.9	180	0	0	0	0	111.2	Q61 I62 R69 C126 F130	Q61-V65 WeakPolarHBondContact O-CG2 3.32Å; Q61-V65 PolarHBondContact O-N 3Å; I62-V65 PolarHBondContact O-N 2.99Å; V65-R69 WeakPolarHBondContact O-CB 3.45Å; V65-R69 WeakPolarHBondContact O-CG 3.22Å; V65-R69 PolarHBondContact O-N 2.87Å; V65-R69 VanDerWaalsContact O-N 3.08Å; V65-C126 HydrophobicContact CG1-CB 4.47Å; V65-C126 VanDerWaalsContact CG1-SG 3.54Å; V65-F130 HydrophobicContact CG2-CZ 4.4Å
66	V	96.9	Very high	95.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.5	-47.5	178.9	172.7	0	0	0	0	110.6	I62 K64 R69 M70 F106 I122 V123 C126 F180	I62-V66 HydrophobicContact CG2-CG2 4.17Å; I62-V66 VanDerWaalsContact O-CB 3.31Å; I62-V66 WeakPolarHBondContact O-CB 3.43Å; I62-V66 VanDerWaalsContact O-CG2 3.22Å; I62-V66 WeakPolarHBondContact O-CG2 3.46Å; I62-V66 PolarHBondContact O-N 3.37Å; K64-V66 PolarHBondContact O-N 2.92Å; V66-R69 PolarHBondContact O-N 3.02Å; V66-M70 HydrophobicContact CG1-CG 4.42Å; V66-M70 HydrophobicContact CG1-SD 3.96Å; V66-M70 VanDerWaalsContact O-CG 3.28Å; V66-M70 WeakPolarHBondContact O-CG 3.49Å; V66-M70 PolarHBondContact O-N 2.83Å; V66-F106 HydrophobicContact CB-CE1 4.07Å; V66-F106 HydrophobicContact CB-CZ 4.06Å; V66-F106 HydrophobicContact CG1-CD1 4.31Å; V66-F106 HydrophobicContact CG1-CE1 3.77Å; V66-F106 HydrophobicContact CG1-CE2 4.44Å; V66-F106 HydrophobicContact CG1-CZ 3.85Å; V66-I122 HydrophobicContact CG1-CG2 4.34Å; V66-V123 HydrophobicContact CG2-CG2 4.48Å; V66-C126 HydrophobicContact CG2-CB 4.49Å; V66-F180 HydrophobicContact CG1-CE1 3.7Å; V66-F180 HydrophobicContact CG1-CZ 3.98Å
67	R	96.9	Very high	95.5	Very high	58 Å²	58	53 Å²	53	22%	0.219	24%	0.244	C	C	.	.	H	α-helix	trans	-60.3	-49.3	178.9	-174.3	-177.8	-168.5	155.5	8.9	111.4	V63 K64 R69 M70 E71 V77 D200	V63-R67 WeakPolarHBondContact O-CB 3.31Å; V63-R67 PolarHBondContact O-N 2.85Å; K64-R67 PolarHBondContact O-N 3.4Å; R67-R69 VanDerWaalsContact C-N 3.33Å; R67-R69 PolarHBondContact O-N 2.78Å; R67-M70 PolarHBondContact O-N 3.2Å; R67-E71 WeakPolarHBondContact O-CG 3.17Å; R67-E71 PolarHBondContact O-N 3.47Å; R67-E71 VanDerWaalsContact O-N 3.08Å; R67-V77 HydrophobicContact CG-CB 4.14Å; R67-V77 HydrophobicContact CG-CG1 4.22Å; R67-V77 HydrophobicContact CG-CG2 4.27Å; R67-D200 IonicContact CZ-OD1 3.95Å; R67-D200 IonicContact CZ-OD2 2.63Å; R67-D200 IonicContact NH1-OD1 3.87Å; R67-D200 PolarHBondContact NH1-OD1 3.13Å; R67-D200 IonicContact NH1-OD2 3Å; R67-D200 PolarHBondContact NH1-OD2 3.49Å; R67-D200 IonicContact NH2-OD1 3.18Å; R67-D200 IonicContact NH2-OD2 3.67Å; R67-D200 PolarHBondContact NH2-OD2 3.19Å
68	S	95.9	Very high	95.8	Very high	51 Å²	51	57.7 Å²	57.7	36%	0.357	26%	0.262	S	S	.	.	H	α-helix	trans	-57.9	-44.9	179.5	-62.1	0	0	0	0	111.9	K64 M70 E71 E72	K64-S68 WeakPolarHBondContact O-CB 3.4Å; K64-S68 PolarHBondContact O-N 3.08Å; K64-S68 PolarHBondContact O-OG 2.92Å; K64-S68 VanDerWaalsContact O-OG 3.05Å; S68-M70 PolarHBondContact O-N 3.34Å; S68-E71 PolarHBondContact O-N 2.87Å; S68-E72 WeakPolarHBondContact O-CG 3.36Å; S68-E72 PolarHBondContact O-N 3.29Å
69	R	97.1	Very high	96	Very high	60 Å²	60	57.4 Å²	57.4	23%	0.226	26%	0.261	C	S	.	.	H	α-helix	trans	-68.8	-33.5	178.9	-74.3	-176.9	171.7	174.2	1.9	113.6	V65 V66 R67 K73 I122 D125 D129	V65-R69 WeakPolarHBondContact O-CB 3.45Å; V65-R69 WeakPolarHBondContact O-CG 3.22Å; V65-R69 PolarHBondContact O-N 2.87Å; V65-R69 VanDerWaalsContact O-N 3.08Å; V66-R69 PolarHBondContact O-N 3.02Å; R67-R69 VanDerWaalsContact C-N 3.33Å; R67-R69 PolarHBondContact O-N 2.78Å; R69-K73 WeakPolarHBondContact O-CB 3.35Å; R69-K73 VanDerWaalsContact O-CG 3.27Å; R69-K73 WeakPolarHBondContact O-CG 3.35Å; R69-K73 PolarHBondContact O-N 2.92Å; R69-I122 HydrophobicContact CB-CD1 4.35Å; R69-I122 HydrophobicContact CB-CG1 4.15Å; R69-I122 HydrophobicContact CB-CG2 3.68Å; R69-D125 PolarHBondContact NH1-O 3.38Å; R69-D129 IonicContact CZ-OD2 3.7Å; R69-D129 IonicContact NH1-OD2 3.98Å; R69-D129 PolarHBondContact NH1-OD2 3.5Å; R69-D129 VanDerWaalsContact NH2-CG 3.31Å; R69-D129 IonicContact NH2-OD1 2.69Å; R69-D129 PolarHBondContact NH2-OD1 3.07Å; R69-D129 IonicContact NH2-OD2 2.81Å; R69-D129 PolarHBondContact NH2-OD2 3.43Å
70	M	97.3	Very high	96.1	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.6	-46.7	173.3	-74.1	179.7	72.1	0	0	110.7	V66 R67 S68 K73 Q74 I75 V77 F106 A108 V119 I122 F180	V66-M70 HydrophobicContact CG1-CG 4.42Å; V66-M70 HydrophobicContact CG1-SD 3.96Å; V66-M70 VanDerWaalsContact O-CG 3.28Å; V66-M70 WeakPolarHBondContact O-CG 3.49Å; V66-M70 PolarHBondContact O-N 2.83Å; R67-M70 PolarHBondContact O-N 3.2Å; S68-M70 PolarHBondContact O-N 3.34Å; M70-K73 CarbonylContact O-C 3.46Å; M70-K73 PolarHBondContact O-N 3.47Å; M70-K73 VanDerWaalsContact O-N 3.14Å; M70-Q74 PolarHBondContact O-N 3.05Å; M70-I75 CarbonylContact C-O 3.49Å; M70-I75 VanDerWaalsContact C-O 3.31Å; M70-I75 HydrophobicContact CB-CB 4.27Å; M70-I75 HydrophobicContact CE-CB 4.35Å; M70-I75 HydrophobicContact CE-CG2 3.59Å; M70-I75 PolarHBondContact O-N 3.08Å; M70-V77 HydrophobicContact CB-CG2 3.78Å; M70-V77 HydrophobicContact CE-CG2 3.78Å; M70-V77 HydrophobicContact CG-CG2 4.45Å; M70-V77 HydrophobicContact SD-CG2 3.87Å; M70-F106 HydrophobicContact SD-CD1 4.39Å; M70-A108 HydrophobicContact CE-CB 3.51Å; M70-V119 HydrophobicContact CE-CG2 3.87Å; M70-V119 HydrophobicContact SD-CG2 4.49Å; M70-I122 HydrophobicContact CB-CD1 4.38Å; M70-I122 HydrophobicContact CG-CD1 3.75Å; M70-F180 HydrophobicContact CE-CD1 3.9Å; M70-F180 HydrophobicContact CE-CE1 4.37Å; M70-F180 HydrophobicContact SD-CD1 3.75Å; M70-F180 HydrophobicContact SD-CE1 3.61Å
71	E	95.9	Very high	96.3	Very high	67 Å²	67	54.9 Å²	54.9	31%	0.313	25%	0.251	S	S	.	.	H	α-helix	trans	-64.7	-40.5	177.5	-66.4	-67.7	172.2	0	0	112.1	R67 S68 K73 Q74 H76 V77	R67-E71 WeakPolarHBondContact O-CG 3.17Å; R67-E71 PolarHBondContact O-N 3.47Å; R67-E71 VanDerWaalsContact O-N 3.08Å; S68-E71 PolarHBondContact O-N 2.87Å; E71-K73 PolarHBondContact O-N 3.44Å; E71-Q74 WeakPolarHBondContact O-CA 3.31Å; E71-Q74 PolarHBondContact O-N 2.83Å; E71-Q74 PolarHBondContact O-NE2 2.96Å; E71-H76 IonicContact OE1-ND1 2.63Å; E71-H76 PolarHBondContact OE1-ND1 2.83Å; E71-H76 IonicContact OE2-ND1 3.97Å; E71-V77 PolarHBondContact OE1-N 3.03Å
72	E	96.8	Very high	96.5	Very high	139 Å²	139	51 Å²	51	65%	0.65	23%	0.234	S	C	*	.	H	α-helix	trans	-57.8	-36.9	172.5	-75	170	-168.5	0	0	112.3	S68 Q74	S68-E72 WeakPolarHBondContact O-CG 3.36Å; S68-E72 PolarHBondContact O-N 3.29Å; E72-Q74 PolarHBondContact O-N 3.4Å
73	K	96	Very high	96.5	Very high	135 Å²	135	51.9 Å²	51.9	59%	0.587	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	11.5	175.6	-63.3	-65.7	-176.7	-179.6	0	113.6	R69 M70 E71 I75 T118 I122	R69-K73 WeakPolarHBondContact O-CB 3.35Å; R69-K73 VanDerWaalsContact O-CG 3.27Å; R69-K73 WeakPolarHBondContact O-CG 3.35Å; R69-K73 PolarHBondContact O-N 2.92Å; M70-K73 CarbonylContact O-C 3.46Å; M70-K73 PolarHBondContact O-N 3.47Å; M70-K73 VanDerWaalsContact O-N 3.14Å; E71-K73 PolarHBondContact O-N 3.44Å; K73-I75 PolarHBondContact O-N 2.82Å; K73-T118 HydrophobicContact CB-CG2 3.81Å; K73-T118 HydrophobicContact CD-CG2 4.46Å; K73-T118 HydrophobicContact CG-CG2 3.92Å; K73-I122 HydrophobicContact CB-CD1 4.38Å; K73-I122 HydrophobicContact CG-CD1 4.08Å; K73-I122 HydrophobicContact CG-CG1 4.48Å
74	Q	95.6	Very high	96.1	Very high	169 Å²	169	52.4 Å²	52.4	79%	0.79	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.5	27.3	178.9	-52.5	-64.4	-68.6	0	0	113.8	M70 E71 E72	M70-Q74 PolarHBondContact O-N 3.05Å; E71-Q74 WeakPolarHBondContact O-CA 3.31Å; E71-Q74 PolarHBondContact O-N 2.83Å; E71-Q74 PolarHBondContact O-NE2 2.96Å; E72-Q74 PolarHBondContact O-N 3.4Å
75	I	96.7	Very high	95.9	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.026	23%	0.233	C	C	.	.			trans	-98.8	103.1	168.9	-56.1	177.7	0	0	0	107.3	M70 K73 V77 A108 M110 E115 T118 V119	M70-I75 CarbonylContact C-O 3.49Å; M70-I75 VanDerWaalsContact C-O 3.31Å; M70-I75 HydrophobicContact CB-CB 4.27Å; M70-I75 HydrophobicContact CE-CB 4.35Å; M70-I75 HydrophobicContact CE-CG2 3.59Å; M70-I75 PolarHBondContact O-N 3.08Å; K73-I75 PolarHBondContact O-N 2.82Å; I75-V77 PolarHBondContact O-N 2.97Å; I75-A108 HydrophobicContact CG2-CB 4.23Å; I75-M110 HydrophobicContact CG2-SD 4.26Å; I75-E115 HydrophobicContact CD1-CB 4.05Å; I75-E115 HydrophobicContact CD1-CG 4.18Å; I75-E115 HydrophobicContact CG1-CG 4.21Å; I75-T118 HydrophobicContact CD1-CG2 3.71Å; I75-V119 HydrophobicContact CD1-CG2 4.05Å
76	H	96.4	Very high	95.7	Very high	90 Å²	90	47.2 Å²	47.2	42%	0.417	22%	0.221	S	C	.	.			trans	-67.8	127.8	-178.5	-177.2	46.5	0	0	0	111.3	E71 A108 D109	E71-H76 IonicContact OE1-ND1 2.63Å; E71-H76 PolarHBondContact OE1-ND1 2.83Å; E71-H76 IonicContact OE2-ND1 3.97Å; H76-A108 VanDerWaalsContact O-CA 3.24Å; H76-A108 WeakPolarHBondContact O-CA 3.21Å; H76-D109 IonicContact CD2-OD2 3.29Å; H76-D109 PolarHBondContact O-N 2.9Å
77	V	97.5	Very high	95.7	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	102.8	175.2	-175.9	0	0	0	0	108.9	R67 M70 E71 I75 V80 F106 C107 A108	R67-V77 HydrophobicContact CG-CB 4.14Å; R67-V77 HydrophobicContact CG-CG1 4.22Å; R67-V77 HydrophobicContact CG-CG2 4.27Å; M70-V77 HydrophobicContact CB-CG2 3.78Å; M70-V77 HydrophobicContact CE-CG2 3.78Å; M70-V77 HydrophobicContact CG-CG2 4.45Å; M70-V77 HydrophobicContact SD-CG2 3.87Å; E71-V77 PolarHBondContact OE1-N 3.03Å; I75-V77 PolarHBondContact O-N 2.97Å; V77-V80 HydrophobicContact CG1-CG2 3.94Å; V77-F106 HydrophobicContact CG1-CD1 4.4Å; V77-C107 CarbonylContact C-O 3.41Å; V77-A108 HydrophobicContact CG2-CB 4.37Å
78	R	96.7	Very high	95.6	Very high	101 Å²	101	44.5 Å²	44.5	38%	0.381	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	-48.5	-177.3	-60	-178.8	-64.7	-113.5	7.1	111.8	C107 D109 V181 D182	R78-C107 HydrophobicContact CB-CB 4.36Å; R78-C107 WeakPolarHBondContact CB-O 3.47Å; R78-C107 PolarHBondContact N-O 3.46Å; R78-D109 IonicContact CZ-OD1 3.41Å; R78-D109 IonicContact NE-OD1 2.81Å; R78-D109 IonicContact NH1-OD1 2.58Å; R78-D109 PolarHBondContact NH1-OD1 3.11Å; R78-V181 PolarHBondContact NH2-O 3.15Å; R78-D182 IonicContact NH1-OD1 3.47Å; R78-D182 PolarHBondContact NH1-OD1 3.46Å; R78-D182 PolarHBondContact NH2-O 3.15Å; R78-D182 IonicContact NH2-OD1 3.87Å
79	D	96.8	Very high	95.5	Very high	25 Å²	25	43.6 Å²	43.6	13%	0.134	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	163.3	172.4	65.3	41.1	0	0	0	111.3	R81 C107	D79-R81 WeakPolarHBondContact OD1-CG 3.07Å; D79-R81 IonicContact OD1-CZ 2.83Å; D79-R81 IonicContact OD1-NE 3.69Å; D79-R81 PolarHBondContact OD1-NE 3.05Å; D79-R81 IonicContact OD1-NH2 2.83Å; D79-R81 IonicContact OD2-CZ 3.52Å; D79-R81 IonicContact OD2-NE 3.66Å; D79-R81 PolarHBondContact OD2-NE 2.92Å; D79-R81 VanDerWaalsContact OD2-NE 3.11Å; D79-R81 IonicContact OD2-NH2 2.99Å; D79-R81 PolarHBondContact OD2-NH2 2.8Å; D79-C107 PolarHBondContact O-N 2.81Å; D79-C107 VanDerWaalsContact OD1-CB 3.25Å; D79-C107 WeakPolarHBondContact OD1-CB 3.09Å; D79-C107 PolarHBondContact OD1-SG 3.11Å
80	V	98.2	Very high	95.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	135.2	168.3	-171.1	0	0	0	0	110	V63 V77 I105 F106 L199 D200 L203	V63-V80 HydrophobicContact CG1-CB 4.18Å; V63-V80 HydrophobicContact CG1-CG1 3.74Å; V63-V80 HydrophobicContact CG1-CG2 4.03Å; V63-V80 HydrophobicContact CG2-CG1 4.27Å; V77-V80 HydrophobicContact CG1-CG2 3.94Å; V80-I105 CarbonylContact C-O 3.57Å; V80-I105 VanDerWaalsContact CA-O 3.31Å; V80-I105 WeakPolarHBondContact CA-O 3.07Å; V80-I105 WeakPolarHBondContact CG1-O 3.4Å; V80-F106 HydrophobicContact CG1-CD1 4.31Å; V80-F106 HydrophobicContact CG1-CE1 4.27Å; V80-F106 HydrophobicContact CG2-CD1 3.81Å; V80-F106 HydrophobicContact CG2-CE1 4.1Å; V80-L199 HydrophobicContact CG1-CD1 4.19Å; V80-L199 WeakPolarHBondContact O-CB 3.45Å; V80-L199 PolarHBondContact O-N 2.95Å; V80-D200 PolarHBondContact N-OD1 2.81Å; V80-L203 HydrophobicContact CB-CD1 4.46Å
81	R	98.1	Very high	95.4	Very high	26 Å²	26	41 Å²	41	10%	0.098	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	142	-176.2	-50	-179.7	-178.8	-154.2	-8.8	112	D79 I105 Q196 I197 K198 E224	D79-R81 WeakPolarHBondContact OD1-CG 3.07Å; D79-R81 IonicContact OD1-CZ 2.83Å; D79-R81 IonicContact OD1-NE 3.69Å; D79-R81 PolarHBondContact OD1-NE 3.05Å; D79-R81 IonicContact OD1-NH2 2.83Å; D79-R81 IonicContact OD2-CZ 3.52Å; D79-R81 IonicContact OD2-NE 3.66Å; D79-R81 PolarHBondContact OD2-NE 2.92Å; D79-R81 VanDerWaalsContact OD2-NE 3.11Å; D79-R81 IonicContact OD2-NH2 2.99Å; D79-R81 PolarHBondContact OD2-NH2 2.8Å; R81-I105 HydrophobicContact CB-CB 4.32Å; R81-I105 PolarHBondContact N-O 3.43Å; R81-I105 PolarHBondContact O-N 2.91Å; R81-Q196 HydrophobicContact CB-CB 4.33Å; R81-I197 CarbonylContact C-O 3.58Å; R81-I197 WeakPolarHBondContact CA-O 3.39Å; R81-K198 HydrophobicContact CG-CG 4.48Å; R81-E224 IonicContact CZ-OE1 2.65Å; R81-E224 IonicContact CZ-OE2 3.34Å; R81-E224 VanDerWaalsContact NH1-CD 3.27Å; R81-E224 IonicContact NH1-OE1 3.72Å; R81-E224 PolarHBondContact NH1-OE1 2.88Å; R81-E224 IonicContact NH1-OE2 2.99Å; R81-E224 PolarHBondContact NH1-OE2 3.43Å; R81-E224 VanDerWaalsContact NH1-OE2 3.15Å; R81-E224 IonicContact NH2-OE2 2.72Å; R81-E224 PolarHBondContact NH2-OE2 3.33Å
82	L	97.4	Very high	95.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	130.3	162.6	178.8	69.6	0	0	0	108.7	L36 A86 A87 V90 L102 L104 Q196 I197 L199	L36-L82 HydrophobicContact CD1-CD2 3.55Å; L82-A86 HydrophobicContact CD1-CB 3.87Å; L82-A86 HydrophobicContact CD2-CB 4.18Å; L82-A86 HydrophobicContact CG-CB 4.19Å; L82-A87 HydrophobicContact CG-CB 4.45Å; L82-V90 HydrophobicContact CD2-CG2 4.12Å; L82-L102 HydrophobicContact CD1-CD1 3.57Å; L82-L102 HydrophobicContact CD1-CG 4.25Å; L82-L104 HydrophobicContact CD1-CD2 4.2Å; L82-Q196 CarbonylContact O-C 3.49Å; L82-Q196 VanDerWaalsContact O-CA 3.31Å; L82-Q196 WeakPolarHBondContact O-CA 3.44Å; L82-I197 HydrophobicContact CB-CB 4.41Å; L82-I197 PolarHBondContact N-O 3.05Å; L82-I197 PolarHBondContact O-N 2.98Å; L82-L199 HydrophobicContact CB-CD1 4.27Å; L82-L199 HydrophobicContact CB-CD2 3.94Å; L82-L199 HydrophobicContact CB-CG 4.38Å
83	N	94.6	Very high	94.8	Very high	21 Å²	21	39.3 Å²	39.3	11%	0.112	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	178.7	-178	-167.3	24.8	0	0	0	112.4	A87 D103 I105 F195 Q196	N83-A87 PolarHBondContact O-N 2.95Å; N83-D103 HydrophobicContact CB-CB 4.06Å; N83-D103 PolarHBondContact N-O 2.98Å; N83-I105 HydrophobicContact CB-CD1 3.63Å; N83-I105 HydrophobicContact CB-CG1 4.03Å; N83-I105 WeakPolarHBondContact ND2-CD1 3.25Å; N83-F195 PolarHBondContact OD1-O 3.29Å; N83-F195 VanDerWaalsContact OD1-O 3.07Å; N83-Q196 HydrophobicContact CB-CG 4.4Å
84	G	87.9	Confident	94.1	Very high	10 Å²	10	35.4 Å²	35.4	10%	0.103	18%	0.182	C	C	.	.	H	α-helix	trans	74.5	-148.9	163.9	0	0	0	0	0	113.3	A86 A87 S88	G84-A86 PolarHBondContact O-N 3.33Å; G84-A87 PolarHBondContact O-N 3.33Å; G84-S88 PolarHBondContact O-N 3.5Å; G84-S88 PolarHBondContact O-OG 2.75Å
85	S	89.1	Confident	93.2	Very high	33 Å²	33	27.4 Å²	27.4	23%	0.231	15%	0.145	C	C	.	.	H	α-helix	trans	-64.3	-28.8	-177.7	62.4	0	0	0	0	112.8	S88 H89 Y99 K100	S85-S88 PolarHBondContact O-N 3.22Å; S85-H89 WeakPolarHBondContact O-CB 3.35Å; S85-H89 PolarHBondContact O-N 3.42Å; S85-Y99 WeakPolarHBondContact OG-CA 3.37Å; S85-K100 PolarHBondContact OG-N 3.31Å; S85-K100 VanDerWaalsContact OG-N 3.13Å
86	A	92.8	Very high	92.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-66.4	-46.5	176.8	0	0	0	0	0	111.8	L82 G84 S88 H89 V90 Y99 L102	L82-A86 HydrophobicContact CD1-CB 3.87Å; L82-A86 HydrophobicContact CD2-CB 4.18Å; L82-A86 HydrophobicContact CG-CB 4.19Å; G84-A86 PolarHBondContact O-N 3.33Å; A86-S88 VanDerWaalsContact C-N 3.3Å; A86-S88 PolarHBondContact O-N 3.08Å; A86-H89 PolarHBondContact O-N 3.3Å; A86-V90 WeakPolarHBondContact O-CG2 3.31Å; A86-V90 PolarHBondContact O-N 3.29Å; A86-Y99 HydrophobicContact CB-CD2 4.14Å; A86-Y99 HydrophobicContact CB-CG 4.34Å; A86-L102 HydrophobicContact CB-CD1 4.1Å
87	A	95.6	Very high	91.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.1	-42.8	174.9	0	0	0	0	0	111.8	L82 N83 G84 H89 V90 L91 F195 I197	L82-A87 HydrophobicContact CG-CB 4.45Å; N83-A87 PolarHBondContact O-N 2.95Å; G84-A87 PolarHBondContact O-N 3.33Å; A87-H89 VanDerWaalsContact C-N 3.34Å; A87-H89 PolarHBondContact O-N 2.94Å; A87-V90 WeakPolarHBondContact O-CB 3.49Å; A87-V90 PolarHBondContact O-N 3.4Å; A87-L91 WeakPolarHBondContact O-CG 3.25Å; A87-L91 PolarHBondContact O-N 3.35Å; A87-L91 VanDerWaalsContact O-N 3.1Å; A87-F195 HydrophobicContact CB-CB 4.02Å; A87-F195 WeakPolarHBondContact CB-O 3.35Å; A87-I197 HydrophobicContact CB-CD1 4Å; A87-I197 HydrophobicContact CB-CG1 4.13Å
88	S	94.9	Very high	90.5	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.007	17%	0.169	C	C	.	.	H	α-helix	trans	-62.3	-41.1	177.2	-50.2	0	0	0	0	111.8	G84 S85 A86 L91 H92 V192 L237	G84-S88 PolarHBondContact O-N 3.5Å; G84-S88 PolarHBondContact O-OG 2.75Å; S85-S88 PolarHBondContact O-N 3.22Å; A86-S88 VanDerWaalsContact C-N 3.3Å; A86-S88 PolarHBondContact O-N 3.08Å; S88-L91 PolarHBondContact O-N 3.13Å; S88-H92 PolarHBondContact O-N 2.92Å; S88-V192 PolarHBondContact OG-O 3.39Å; S88-L237 WeakPolarHBondContact O-CD2 3.49Å
89	H	94.1	Very high	89.7	Confident	32 Å²	32	25.3 Å²	25.3	15%	0.148	16%	0.159	C	C	.	.	H	α-helix	trans	-65.7	-39	176.4	179.6	74	0	0	0	112.8	S85 A86 A87 L91 H92 E93 Y99	S85-H89 WeakPolarHBondContact O-CB 3.35Å; S85-H89 PolarHBondContact O-N 3.42Å; A86-H89 PolarHBondContact O-N 3.3Å; A87-H89 VanDerWaalsContact C-N 3.34Å; A87-H89 PolarHBondContact O-N 2.94Å; H89-L91 VanDerWaalsContact C-N 3.32Å; H89-L91 PolarHBondContact O-N 3.24Å; H89-H92 CarbonylContact O-C 3.55Å; H89-H92 PolarHBondContact O-N 3.28Å; H89-E93 PolarHBondContact O-N 3.15Å; H89-Y99 HydrophobicContact CB-CD1 4.13Å; H89-Y99 AromaticContact CD2-CD1 3.42Å; H89-Y99 VanDerWaalsContact CD2-CD1 3.42Å; H89-Y99 WeakPolarHBondContact CD2-CD1 3.46Å; H89-Y99 AromaticContact CD2-CE1 3.71Å; H89-Y99 AromaticContact CG-CD1 3.72Å; H89-Y99 AromaticContact NE2-CD1 3.87Å; H89-Y99 AromaticContact NE2-CE1 3.85Å
90	V	96.1	Very high	88.7	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-58	-47.7	172.6	169.9	0	0	0	0	110.6	L28 Q32 R35 L36 I39 L82 A86 A87 I197	L28-V90 HydrophobicContact CD2-CG1 3.99Å; Q32-V90 HydrophobicContact CB-CG1 4.28Å; Q32-V90 VanDerWaalsContact O-CG1 3.31Å; Q32-V90 WeakPolarHBondContact O-CG1 3.42Å; R35-V90 PolarHBondContact NE-O 3.48Å; R35-V90 PolarHBondContact NH2-O 3.16Å; L36-V90 HydrophobicContact CB-CG1 3.95Å; L36-V90 HydrophobicContact CB-CG2 4.24Å; L36-V90 HydrophobicContact CD1-CG2 4.13Å; I39-V90 HydrophobicContact CD1-CG2 3.48Å; I39-V90 VanDerWaalsContact CD1-CG2 3.48Å; L82-V90 HydrophobicContact CD2-CG2 4.12Å; A86-V90 WeakPolarHBondContact O-CG2 3.31Å; A86-V90 PolarHBondContact O-N 3.29Å; A87-V90 WeakPolarHBondContact O-CB 3.49Å; A87-V90 PolarHBondContact O-N 3.4Å; V90-I197 HydrophobicContact CB-CD1 3.68Å; V90-I197 HydrophobicContact CG1-CD1 3.58Å; V90-I197 HydrophobicContact CG2-CD1 4.2Å
91	L	96.3	Very high	88	Confident	5 Å²	5	26.9 Å²	26.9	3%	0.026	17%	0.165	C	C	.	.	H	α-helix	trans	-70.5	-38.6	-177.1	-65.2	177.6	0	0	0	112.7	L28 Q32 A87 S88 H89 F195 I197 F230 L234	L28-L91 HydrophobicContact CD1-CD2 4.1Å; L28-L91 HydrophobicContact CD2-CD2 4.44Å; L28-L91 HydrophobicContact CG-CD2 4.04Å; Q32-L91 PolarHBondContact NE2-O 3.24Å; Q32-L91 VanDerWaalsContact NE2-O 3.08Å; A87-L91 WeakPolarHBondContact O-CG 3.25Å; A87-L91 PolarHBondContact O-N 3.35Å; A87-L91 VanDerWaalsContact O-N 3.1Å; S88-L91 PolarHBondContact O-N 3.13Å; H89-L91 VanDerWaalsContact C-N 3.32Å; H89-L91 PolarHBondContact O-N 3.24Å; L91-F195 HydrophobicContact CD1-CB 3.68Å; L91-F195 HydrophobicContact CD1-CD1 3.26Å; L91-F195 HydrophobicContact CD1-CD2 3.94Å; L91-F195 HydrophobicContact CD1-CE1 3.76Å; L91-F195 HydrophobicContact CD1-CE2 4.38Å; L91-F195 HydrophobicContact CD1-CG 3.34Å; L91-F195 HydrophobicContact CD1-CZ 4.27Å; L91-I197 HydrophobicContact CG-CD1 4.43Å; L91-F230 HydrophobicContact CD1-CE2 4.18Å; L91-F230 HydrophobicContact CD1-CZ 3.73Å; L91-F230 HydrophobicContact CD2-CZ 3.92Å; L91-F230 HydrophobicContact CG-CZ 4.49Å; L91-L234 HydrophobicContact CB-CD1 4.07Å
92	H	94.3	Very high	87.6	Confident	53 Å²	53	26.2 Å²	26.2	25%	0.245	16%	0.164	C	C	.	.			trans	-151.2	99.6	178.9	-170.8	59.7	0	0	0	112.7	S88 H89 G94 S95 L237	S88-H92 PolarHBondContact O-N 2.92Å; H89-H92 CarbonylContact O-C 3.55Å; H89-H92 PolarHBondContact O-N 3.28Å; H92-G94 VanDerWaalsContact C-N 3.31Å; H92-G94 PolarHBondContact O-N 2.99Å; H92-S95 PolarHBondContact CD2-N 3.02Å; H92-S95 PolarHBondContact O-N 3.15Å; H92-S95 PolarHBondContact O-OG 3.4Å; H92-L237 HydrophobicContact CB-CD2 3.76Å; H92-L237 HydrophobicContact CB-CG 4.12Å
93	E	86.7	Confident	87.5	Confident	118 Å²	118	27.8 Å²	27.8	55%	0.551	17%	0.172	S	C	*	.	G	3₁₀ helix	trans	-59.6	-38.4	179.5	178.1	171.8	-159.9	0	0	112.9	H89 S95	H89-E93 PolarHBondContact O-N 3.15Å; E93-S95 PolarHBondContact O-N 3.42Å; E93-S95 VanDerWaalsContact O-N 3.13Å
94	G	80.1	Confident	87.6	Confident	53 Å²	53	26.8 Å²	26.8	55%	0.546	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-73.4	3.6	-175.5	0	0	0	0	0	116.4	H92 G96	H92-G94 VanDerWaalsContact C-N 3.31Å; H92-G94 PolarHBondContact O-N 2.99Å; G94-G96 PolarHBondContact O-N 2.89Å; G94-G96 VanDerWaalsContact O-N 3.15Å
95	S	77.8	Confident	88.1	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.007	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-62.2	-22.8	-178.4	59.3	0	0	0	0	113.6	H92 E93 L97 K240	H92-S95 PolarHBondContact CD2-N 3.02Å; H92-S95 PolarHBondContact O-N 3.15Å; H92-S95 PolarHBondContact O-OG 3.4Å; E93-S95 PolarHBondContact O-N 3.42Å; E93-S95 VanDerWaalsContact O-N 3.13Å; S95-L97 PolarHBondContact O-N 3.49Å; S95-K240 WeakPolarHBondContact O-CE 3.12Å
96	G	78.2	Confident	88.5	Confident	42 Å²	42	25 Å²	25	43%	0.433	15%	0.152	S	C	.	.	S	Bend	trans	72.1	5.2	-175.7	0	0	0	0	0	114	G94 G98 R264	G94-G96 PolarHBondContact O-N 2.89Å; G94-G96 VanDerWaalsContact O-N 3.15Å; G96-G98 VanDerWaalsContact C-N 3.35Å; G96-R264 WeakPolarHBondContact O-CD 3.33Å; G96-R264 PolarHBondContact O-NE 3.26Å
97	L	76.1	Confident	88.8	Confident	37 Å²	37	25.8 Å²	25.8	19%	0.194	16%	0.157	C	C	.	.			trans	-73.3	-32.6	170.7	-64.7	173	0	0	0	110.9	S95 L237 L261 F266	S95-L97 PolarHBondContact O-N 3.49Å; L97-L237 HydrophobicContact CD1-CD1 3.85Å; L97-L261 HydrophobicContact CD2-CD2 3.6Å; L97-F266 HydrophobicContact CD1-CE1 4.46Å; L97-F266 HydrophobicContact CD1-CE2 4.46Å; L97-F266 HydrophobicContact CD1-CZ 3.79Å; L97-F266 HydrophobicContact CD2-CD2 4.41Å; L97-F266 HydrophobicContact CD2-CE2 3.56Å; L97-F266 HydrophobicContact CD2-CZ 3.73Å; L97-F266 HydrophobicContact CG-CE2 3.88Å; L97-F266 HydrophobicContact CG-CZ 3.67Å
98	G	79	Confident	88.8	Confident	32 Å²	32	25.8 Å²	25.8	33%	0.33	16%	0.157	S	C	.	.			trans	61.6	-167	-162.8	0	0	0	0	0	110.5	G96	G96-G98 VanDerWaalsContact C-N 3.35Å
99	Y	80.7	Confident	88.8	Confident	43 Å²	43	28.1 Å²	28.1	17%	0.169	17%	0.17	C	C	.	.			trans	-130.1	137.7	162.4	70.2	-78.1	0	0	0	109.3	E42 S85 A86 H89 K174	E42-Y99 PolarHBondContact OE2-OH 2.89Å; S85-Y99 WeakPolarHBondContact OG-CA 3.37Å; A86-Y99 HydrophobicContact CB-CD2 4.14Å; A86-Y99 HydrophobicContact CB-CG 4.34Å; H89-Y99 HydrophobicContact CB-CD1 4.13Å; H89-Y99 AromaticContact CD2-CD1 3.42Å; H89-Y99 VanDerWaalsContact CD2-CD1 3.42Å; H89-Y99 WeakPolarHBondContact CD2-CD1 3.46Å; H89-Y99 AromaticContact CD2-CE1 3.71Å; H89-Y99 AromaticContact CG-CD1 3.72Å; H89-Y99 AromaticContact NE2-CD1 3.87Å; H89-Y99 AromaticContact NE2-CE1 3.85Å; Y99-K174 HydrophobicContact CE2-CD 4.28Å; Y99-K174 PolarHBondContact OH-NZ 3.47Å
100	K	74.4	Confident	88.7	Confident	37 Å²	37	26.6 Å²	26.6	16%	0.161	16%	0.163	C	C	.	.			trans	-100.8	-80.5	-179.2	-177.7	-178.4	158.3	-108.2	0	108.6	S85 G173 K174 N305	S85-K100 PolarHBondContact OG-N 3.31Å; S85-K100 VanDerWaalsContact OG-N 3.13Å; K100-G173 WeakPolarHBondContact CE-O 3.47Å; K100-G173 WeakPolarHBondContact CG-O 3.41Å; K100-K174 WeakPolarHBondContact O-CA 3.48Å; K100-K174 WeakPolarHBondContact O-CB 3.33Å; K100-K174 WeakPolarHBondContact O-CG 3.38Å; K100-N305 WeakPolarHBondContact CD-O 3.32Å; K100-N305 WeakPolarHBondContact CE-O 3.05Å
101	D	83.1	Confident	88.2	Confident	21 Å²	21	34.1 Å²	34.1	11%	0.112	20%	0.196	C	C	.	.	S	Bend	trans	-86.7	150.3	-178.6	-54.5	-53.6	0	0	0	110.3	N175 E177	D101-N175 CarbonylContact C-O 3.53Å; D101-N175 WeakPolarHBondContact CA-O 3.4Å; D101-N175 VanDerWaalsContact OD1-CB 3.29Å; D101-N175 WeakPolarHBondContact OD1-CB 3.35Å; D101-N175 PolarHBondContact OD1-N 3.49Å; D101-N175 PolarHBondContact OD1-ND2 2.82Å; D101-E177 HydrophobicContact CB-CG 4.32Å
102	L	91.3	Very high	87.6	Confident	11 Å²	11	34.8 Å²	34.8	6%	0.058	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	97.5	173.2	-170.9	76.1	0	0	0	108.8	I39 I44 P59 L82 A86 L104 N175 E177	I39-L102 HydrophobicContact CG2-CD1 3.53Å; I44-L102 HydrophobicContact CD1-CD2 4.23Å; P59-L102 HydrophobicContact CB-CD2 3.51Å; P59-L102 HydrophobicContact CG-CD2 3.23Å; L82-L102 HydrophobicContact CD1-CD1 3.57Å; L82-L102 HydrophobicContact CD1-CG 4.25Å; A86-L102 HydrophobicContact CB-CD1 4.1Å; L102-L104 HydrophobicContact CD2-CD1 4.36Å; L102-L104 HydrophobicContact CG-CG 4.44Å; L102-L104 PolarHBondContact O-N 3.1Å; L102-N175 PolarHBondContact N-O 3.1Å; L102-E177 PolarHBondContact O-N 3.28Å
103	D	94.3	Very high	87.4	Confident	34 Å²	34	37 Å²	37	18%	0.182	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	105.1	-175.9	-58.8	-52.8	0	0	0	110.6	N83	N83-D103 HydrophobicContact CB-CB 4.06Å; N83-D103 PolarHBondContact N-O 2.98Å
104	L	97.3	Very high	87.7	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	117.7	177	-64.8	169.2	0	0	0	109.5	V63 L82 L102 F106 V176 E177 L178 K179 L199	V63-L104 HydrophobicContact CG2-CD1 3.71Å; V63-L104 HydrophobicContact CG2-CD2 4.01Å; V63-L104 HydrophobicContact CG2-CG 4.36Å; L82-L104 HydrophobicContact CD1-CD2 4.2Å; L102-L104 HydrophobicContact CD2-CD1 4.36Å; L102-L104 HydrophobicContact CG-CG 4.44Å; L102-L104 PolarHBondContact O-N 3.1Å; L104-F106 HydrophobicContact CB-CE2 4.18Å; L104-V176 HydrophobicContact CD1-CG1 4.36Å; L104-E177 PolarHBondContact N-O 3.2Å; L104-L178 HydrophobicContact CB-CD2 4.16Å; L104-L178 HydrophobicContact CD1-CD2 3.8Å; L104-K179 PolarHBondContact O-N 2.91Å; L104-L199 HydrophobicContact CD2-CD1 3.92Å
105	I	98	Very high	88.4	Confident	5 Å²	5	34.2 Å²	34.2	3%	0.026	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	120.5	177.9	-58.8	-177.1	0	0	0	109.3	V80 R81 N83 K179 V181	V80-I105 CarbonylContact C-O 3.57Å; V80-I105 VanDerWaalsContact CA-O 3.31Å; V80-I105 WeakPolarHBondContact CA-O 3.07Å; V80-I105 WeakPolarHBondContact CG1-O 3.4Å; R81-I105 HydrophobicContact CB-CB 4.32Å; R81-I105 PolarHBondContact N-O 3.43Å; R81-I105 PolarHBondContact O-N 2.91Å; N83-I105 HydrophobicContact CB-CD1 3.63Å; N83-I105 HydrophobicContact CB-CG1 4.03Å; N83-I105 WeakPolarHBondContact ND2-CD1 3.25Å; I105-K179 CarbonylContact C-O 3.53Å; I105-K179 WeakPolarHBondContact CA-O 3.43Å; I105-K179 HydrophobicContact CG1-CB 4.3Å; I105-K179 HydrophobicContact CG1-CD 4.36Å; I105-V181 HydrophobicContact CG2-CB 4.15Å; I105-V181 HydrophobicContact CG2-CG2 3.77Å
106	F	98.4	Very high	89.2	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	106.9	167.4	-62	-101.5	0	0	0	107.6	V63 V66 M70 V77 V80 L104 A108 L178 K179 F180 V181	V63-F106 HydrophobicContact CB-CZ 4.4Å; V63-F106 HydrophobicContact CG1-CE1 4.17Å; V63-F106 HydrophobicContact CG1-CZ 4.41Å; V63-F106 HydrophobicContact CG2-CZ 4.12Å; V66-F106 HydrophobicContact CB-CE1 4.07Å; V66-F106 HydrophobicContact CB-CZ 4.06Å; V66-F106 HydrophobicContact CG1-CD1 4.31Å; V66-F106 HydrophobicContact CG1-CE1 3.77Å; V66-F106 HydrophobicContact CG1-CE2 4.44Å; V66-F106 HydrophobicContact CG1-CZ 3.85Å; M70-F106 HydrophobicContact SD-CD1 4.39Å; V77-F106 HydrophobicContact CG1-CD1 4.4Å; V80-F106 HydrophobicContact CG1-CD1 4.31Å; V80-F106 HydrophobicContact CG1-CE1 4.27Å; V80-F106 HydrophobicContact CG2-CD1 3.81Å; V80-F106 HydrophobicContact CG2-CE1 4.1Å; L104-F106 HydrophobicContact CB-CE2 4.18Å; F106-A108 PolarHBondContact O-N 3.41Å; F106-L178 HydrophobicContact CE2-CB 4.45Å; F106-L178 HydrophobicContact CE2-CD2 4.03Å; F106-K179 PolarHBondContact N-O 3.22Å; F106-F180 HydrophobicContact CB-CD1 3.75Å; F106-F180 HydrophobicContact CB-CE1 4.17Å; F106-F180 HydrophobicContact CD1-CE1 4.44Å; F106-F180 HydrophobicContact CD2-CD1 4.06Å; F106-F180 AromaticContact CD2-CE1 3.76Å; F106-F180 HydrophobicContact CD2-CE1 3.76Å; F106-F180 HydrophobicContact CD2-CZ 4.23Å; F106-F180 HydrophobicContact CE2-CE1 4.26Å; F106-F180 HydrophobicContact CE2-CZ 4.44Å; F106-F180 AromaticContact CG-CD1 3.98Å; F106-F180 HydrophobicContact CG-CD1 3.98Å; F106-F180 AromaticContact CG-CE1 3.87Å; F106-F180 HydrophobicContact CG-CE1 3.87Å; F106-F180 CarbonylContact O-C 3.54Å; F106-F180 WeakPolarHBondContact O-CA 3.5Å; F106-V181 PolarHBondContact O-N 3.09Å
107	C	97.6	Very high	90.1	Very high	16 Å²	16	36 Å²	36	11%	0.108	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	104.5	173.2	-68.3	0	0	0	0	108	V77 R78 D79 V181	V77-C107 CarbonylContact C-O 3.41Å; R78-C107 HydrophobicContact CB-CB 4.36Å; R78-C107 WeakPolarHBondContact CB-O 3.47Å; R78-C107 PolarHBondContact N-O 3.46Å; D79-C107 PolarHBondContact O-N 2.81Å; D79-C107 VanDerWaalsContact OD1-CB 3.25Å; D79-C107 WeakPolarHBondContact OD1-CB 3.09Å; D79-C107 PolarHBondContact OD1-SG 3.11Å; C107-V181 CarbonylContact C-O 3.52Å; C107-V181 WeakPolarHBondContact CA-O 3.47Å
108	A	96.7	Very high	91	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	150.7	-168.7	0	0	0	0	0	112.5	M70 I75 H76 V77 F106 M110 V181 D182	M70-A108 HydrophobicContact CE-CB 3.51Å; I75-A108 HydrophobicContact CG2-CB 4.23Å; H76-A108 VanDerWaalsContact O-CA 3.24Å; H76-A108 WeakPolarHBondContact O-CA 3.21Å; V77-A108 HydrophobicContact CG2-CB 4.37Å; F106-A108 PolarHBondContact O-N 3.41Å; A108-M110 VanDerWaalsContact C-N 3.35Å; A108-M110 PolarHBondContact O-N 3.17Å; A108-V181 PolarHBondContact N-O 2.84Å; A108-D182 VanDerWaalsContact O-CA 3.27Å; A108-D182 WeakPolarHBondContact O-CA 3.36Å; A108-D182 WeakPolarHBondContact O-CB 3.22Å
109	D	94.6	Very high	91.9	Very high	50 Å²	50	34.6 Å²	34.6	27%	0.267	18%	0.178	S	C	.	.			trans	-75.4	81.6	179.5	-69.7	-3.2	0	0	0	111.1	H76 R78 K111	H76-D109 IonicContact CD2-OD2 3.29Å; H76-D109 PolarHBondContact O-N 2.9Å; R78-D109 IonicContact CZ-OD1 3.41Å; R78-D109 IonicContact NE-OD1 2.81Å; R78-D109 IonicContact NH1-OD1 2.58Å; R78-D109 PolarHBondContact NH1-OD1 3.11Å; D109-K111 PolarHBondContact O-N 3.31Å
110	M	92.1	Very high	92.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.183	C	C	.	.			trans	-89.3	98	177.7	-53.7	-70.5	-69	0	0	109.4	I75 A108 E115 F116 V119 R162 D182	I75-M110 HydrophobicContact CG2-SD 4.26Å; A108-M110 VanDerWaalsContact C-N 3.35Å; A108-M110 PolarHBondContact O-N 3.17Å; M110-E115 HydrophobicContact CB-CB 4.5Å; M110-E115 VanDerWaalsContact CE-C 3.43Å; M110-E115 HydrophobicContact CE-CB 3.79Å; M110-E115 WeakPolarHBondContact CE-O 3.31Å; M110-E115 HydrophobicContact SD-CB 3.92Å; M110-F116 HydrophobicContact CE-CD1 3.82Å; M110-F116 HydrophobicContact CE-CE1 4.16Å; M110-F116 HydrophobicContact CE-CG 4.1Å; M110-V119 HydrophobicContact CE-CB 4.19Å; M110-V119 HydrophobicContact CE-CG2 3.71Å; M110-V119 HydrophobicContact SD-CG2 3.74Å; M110-R162 WeakPolarHBondContact O-CD 3.32Å; M110-R162 PolarHBondContact O-NH1 2.94Å; M110-D182 HydrophobicContact CB-CB 3.75Å; M110-D182 HydrophobicContact CG-CB 4.14Å
111	K	85.7	Confident	93.7	Very high	159 Å²	159	36.2 Å²	36.2	69%	0.691	19%	0.188	S	C	*	.			trans	-83.9	-25.5	-173.4	-66.7	175.8	-175.5	169.4	0	113.8	D109 E115 R162	D109-K111 PolarHBondContact O-N 3.31Å; K111-E115 PolarHBondContact N-OE2 2.94Å; K111-R162 PolarHBondContact O-NH1 2.88Å
112	G	82.7	Confident	94.3	Very high	18 Å²	18	35.5 Å²	35.5	19%	0.186	18%	0.184	C	C	.	.	S	Bend	trans	-175.6	-160.7	-176.1	0	0	0	0	0	114.2	S114 E115 F116	G112-S114 VanDerWaalsContact C-N 3.31Å; G112-S114 PolarHBondContact O-N 3.29Å; G112-E115 WeakPolarHBondContact CA-OE2 3.34Å; G112-E115 PolarHBondContact N-OE2 3.19Å; G112-E115 PolarHBondContact O-N 3.31Å; G112-E115 VanDerWaalsContact O-OE2 3.11Å; G112-F116 WeakPolarHBondContact O-CD2 3.42Å; G112-F116 PolarHBondContact O-N 2.89Å
113	E	89.8	Confident	94.6	Very high	100 Å²	100	35.1 Å²	35.1	47%	0.467	18%	0.182	S	C	.	.	H	α-helix	trans	-65	-31.3	-172.6	-170.2	63.4	-158.9	0	0	113.3	E115 F116 Q117 K155	E113-E115 VanDerWaalsContact C-N 3.34Å; E113-E115 PolarHBondContact O-N 3.31Å; E113-F116 PolarHBondContact O-N 3.36Å; E113-Q117 PolarHBondContact O-N 3.34Å; E113-Q117 VanDerWaalsContact O-N 3.07Å; E113-K155 IonicContact OE1-NZ 3.83Å; E113-K155 PolarHBondContact OE1-NZ 2.85Å; E113-K155 IonicContact OE2-NZ 3.97Å; E113-K155 PolarHBondContact OE2-NZ 2.9Å
114	S	93.4	Very high	94.7	Very high	71 Å²	71	33.5 Å²	33.5	50%	0.497	17%	0.174	S	C	.	.	H	α-helix	trans	-59.7	-44.5	177	37.8	0	0	0	0	111.7	G112 Q117 T118	G112-S114 VanDerWaalsContact C-N 3.31Å; G112-S114 PolarHBondContact O-N 3.29Å; S114-Q117 PolarHBondContact O-N 2.93Å; S114-T118 WeakPolarHBondContact O-CB 3.18Å; S114-T118 PolarHBondContact O-N 3.22Å; S114-T118 PolarHBondContact O-OG1 2.94Å
115	E	94.9	Very high	94.5	Very high	41 Å²	41	36.8 Å²	36.8	19%	0.192	19%	0.191	C	C	.	.	H	α-helix	trans	-69.8	-37.8	-179.2	-64.2	68.8	-133.7	0	0	110.4	I75 M110 K111 G112 E113 Q117 T118 V119	I75-E115 HydrophobicContact CD1-CB 4.05Å; I75-E115 HydrophobicContact CD1-CG 4.18Å; I75-E115 HydrophobicContact CG1-CG 4.21Å; M110-E115 HydrophobicContact CB-CB 4.5Å; M110-E115 VanDerWaalsContact CE-C 3.43Å; M110-E115 HydrophobicContact CE-CB 3.79Å; M110-E115 WeakPolarHBondContact CE-O 3.31Å; M110-E115 HydrophobicContact SD-CB 3.92Å; K111-E115 PolarHBondContact N-OE2 2.94Å; G112-E115 WeakPolarHBondContact CA-OE2 3.34Å; G112-E115 PolarHBondContact N-OE2 3.19Å; G112-E115 PolarHBondContact O-N 3.31Å; G112-E115 VanDerWaalsContact O-OE2 3.11Å; E113-E115 VanDerWaalsContact C-N 3.34Å; E113-E115 PolarHBondContact O-N 3.31Å; E115-Q117 PolarHBondContact O-N 3Å; E115-T118 PolarHBondContact O-N 3.34Å; E115-V119 WeakPolarHBondContact O-CB 3.44Å; E115-V119 WeakPolarHBondContact O-CG2 3.23Å; E115-V119 PolarHBondContact O-N 3.22Å
116	F	95.6	Very high	94.3	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.026	19%	0.191	C	C	.	.	H	α-helix	trans	-59.1	-45.9	174.6	-77.7	-68.2	0	0	0	112.8	M110 G112 E113 K120 K155 N157 R162 W163	M110-F116 HydrophobicContact CE-CD1 3.82Å; M110-F116 HydrophobicContact CE-CE1 4.16Å; M110-F116 HydrophobicContact CE-CG 4.1Å; G112-F116 WeakPolarHBondContact O-CD2 3.42Å; G112-F116 PolarHBondContact O-N 2.89Å; E113-F116 PolarHBondContact O-N 3.36Å; F116-K120 WeakPolarHBondContact O-CB 3.31Å; F116-K120 PolarHBondContact O-N 3.41Å; F116-K120 VanDerWaalsContact O-N 3.15Å; F116-K155 HydrophobicContact CB-CD 4.02Å; F116-K155 HydrophobicContact CD1-CD 4.01Å; F116-K155 HydrophobicContact CD1-CG 3.76Å; F116-K155 HydrophobicContact CD2-CD 4.11Å; F116-K155 HydrophobicContact CD2-CG 4.42Å; F116-K155 HydrophobicContact CE1-CG 3.89Å; F116-K155 HydrophobicContact CG-CD 3.79Å; F116-K155 HydrophobicContact CG-CG 4.05Å; F116-K155 HydrophobicContact CZ-CG 4.29Å; F116-N157 HydrophobicContact CE2-CB 3.96Å; F116-N157 HydrophobicContact CZ-CB 4.24Å; F116-R162 HydrophobicContact CE2-CG 3.98Å; F116-R162 HydrophobicContact CZ-CG 3.66Å; F116-W163 WeakPolarHBondContact CE1-O 3.43Å
117	Q	95.6	Very high	94	Very high	75 Å²	75	36.9 Å²	36.9	35%	0.35	19%	0.192	S	C	.	.	H	α-helix	trans	-68.5	-40.7	177.8	-177.5	52.3	39.1	0	0	111	E113 S114 E115 K120 D121	E113-Q117 PolarHBondContact O-N 3.34Å; E113-Q117 VanDerWaalsContact O-N 3.07Å; S114-Q117 PolarHBondContact O-N 2.93Å; E115-Q117 PolarHBondContact O-N 3Å; Q117-K120 WeakPolarHBondContact O-CB 3.5Å; Q117-K120 PolarHBondContact O-N 3.36Å; Q117-D121 PolarHBondContact NE2-OD1 3.48Å; Q117-D121 PolarHBondContact NE2-OD2 3.04Å; Q117-D121 PolarHBondContact O-N 2.96Å
118	T	96.5	Very high	93.8	Very high	40 Å²	40	38 Å²	38	25%	0.245	20%	0.197	C	C	.	.	H	α-helix	trans	-61.6	-45.9	177.6	-57.6	0	0	0	0	111.9	K73 I75 S114 E115 K120 D121 I122	K73-T118 HydrophobicContact CB-CG2 3.81Å; K73-T118 HydrophobicContact CD-CG2 4.46Å; K73-T118 HydrophobicContact CG-CG2 3.92Å; I75-T118 HydrophobicContact CD1-CG2 3.71Å; S114-T118 WeakPolarHBondContact O-CB 3.18Å; S114-T118 PolarHBondContact O-N 3.22Å; S114-T118 PolarHBondContact O-OG1 2.94Å; E115-T118 PolarHBondContact O-N 3.34Å; T118-K120 VanDerWaalsContact C-N 3.34Å; T118-K120 PolarHBondContact O-N 3.49Å; T118-D121 PolarHBondContact O-N 3.34Å; T118-I122 HydrophobicContact CG2-CD1 3.92Å; T118-I122 HydrophobicContact CG2-CG1 4.44Å; T118-I122 VanDerWaalsContact O-CG1 3.27Å; T118-I122 WeakPolarHBondContact O-CG1 3.28Å; T118-I122 PolarHBondContact O-N 3.44Å
119	V	96.6	Very high	93.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.7	-42.8	176.8	162.2	0	0	0	0	111.6	M70 I75 M110 E115 D121 I122 V123 F180	M70-V119 HydrophobicContact CE-CG2 3.87Å; M70-V119 HydrophobicContact SD-CG2 4.49Å; I75-V119 HydrophobicContact CD1-CG2 4.05Å; M110-V119 HydrophobicContact CE-CB 4.19Å; M110-V119 HydrophobicContact CE-CG2 3.71Å; M110-V119 HydrophobicContact SD-CG2 3.74Å; E115-V119 WeakPolarHBondContact O-CB 3.44Å; E115-V119 WeakPolarHBondContact O-CG2 3.23Å; E115-V119 PolarHBondContact O-N 3.22Å; V119-D121 VanDerWaalsContact C-N 3.31Å; V119-D121 PolarHBondContact O-N 3.44Å; V119-I122 PolarHBondContact O-N 2.97Å; V119-V123 WeakPolarHBondContact O-CG2 3.41Å; V119-V123 PolarHBondContact O-N 3.07Å; V119-F180 HydrophobicContact CG1-CB 4.17Å; V119-F180 HydrophobicContact CG1-CD1 3.56Å; V119-F180 HydrophobicContact CG1-CD2 3.35Å; V119-F180 HydrophobicContact CG1-CE1 3.68Å; V119-F180 HydrophobicContact CG1-CE2 3.47Å; V119-F180 VanDerWaalsContact CG1-CE2 3.47Å; V119-F180 HydrophobicContact CG1-CG 3.4Å; V119-F180 HydrophobicContact CG1-CZ 3.64Å; V119-F180 HydrophobicContact CG2-CD1 4.27Å
120	K	96.7	Very high	93.3	Very high	61 Å²	61	41.1 Å²	41.1	27%	0.265	21%	0.212	S	C	.	.	H	α-helix	trans	-58.9	-46.1	174.7	170.9	-174.3	147.4	-146.6	0	110.9	F116 Q117 T118 V123 L124	F116-K120 WeakPolarHBondContact O-CB 3.31Å; F116-K120 PolarHBondContact O-N 3.41Å; F116-K120 VanDerWaalsContact O-N 3.15Å; Q117-K120 WeakPolarHBondContact O-CB 3.5Å; Q117-K120 PolarHBondContact O-N 3.36Å; T118-K120 VanDerWaalsContact C-N 3.34Å; T118-K120 PolarHBondContact O-N 3.49Å; K120-V123 PolarHBondContact O-N 2.92Å; K120-L124 HydrophobicContact CG-CD1 4.01Å; K120-L124 VanDerWaalsContact O-CG 3.29Å; K120-L124 WeakPolarHBondContact O-CG 3.33Å; K120-L124 PolarHBondContact O-N 2.8Å; K120-L124 VanDerWaalsContact O-N 3.07Å
121	D	96.5	Very high	93.2	Very high	52 Å²	52	41.3 Å²	41.3	28%	0.278	21%	0.213	S	C	.	.	H	α-helix	trans	-66.9	-42.1	-178.5	-64.4	-17.2	0	0	0	110.9	Q117 T118 V119 V123 L124 D125	Q117-D121 PolarHBondContact NE2-OD1 3.48Å; Q117-D121 PolarHBondContact NE2-OD2 3.04Å; Q117-D121 PolarHBondContact O-N 2.96Å; T118-D121 PolarHBondContact O-N 3.34Å; V119-D121 VanDerWaalsContact C-N 3.31Å; V119-D121 PolarHBondContact O-N 3.44Å; D121-V123 PolarHBondContact O-N 2.85Å; D121-L124 PolarHBondContact O-N 2.8Å; D121-D125 WeakPolarHBondContact O-CB 3.08Å; D121-D125 PolarHBondContact O-N 2.97Å
122	I	97.1	Very high	93.3	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.031	20%	0.196	C	C	.	.	H	α-helix	trans	-54.2	-49.8	173.2	-71.7	165.7	0	0	0	111.2	V66 R69 M70 K73 T118 V119 L124 D125 C126	V66-I122 HydrophobicContact CG1-CG2 4.34Å; R69-I122 HydrophobicContact CB-CD1 4.35Å; R69-I122 HydrophobicContact CB-CG1 4.15Å; R69-I122 HydrophobicContact CB-CG2 3.68Å; M70-I122 HydrophobicContact CB-CD1 4.38Å; M70-I122 HydrophobicContact CG-CD1 3.75Å; K73-I122 HydrophobicContact CB-CD1 4.38Å; K73-I122 HydrophobicContact CG-CD1 4.08Å; K73-I122 HydrophobicContact CG-CG1 4.48Å; T118-I122 HydrophobicContact CG2-CD1 3.92Å; T118-I122 HydrophobicContact CG2-CG1 4.44Å; T118-I122 VanDerWaalsContact O-CG1 3.27Å; T118-I122 WeakPolarHBondContact O-CG1 3.28Å; T118-I122 PolarHBondContact O-N 3.44Å; V119-I122 PolarHBondContact O-N 2.97Å; I122-L124 PolarHBondContact O-N 2.66Å; I122-D125 PolarHBondContact O-N 2.82Å; I122-C126 PolarHBondContact O-N 3.38Å; I122-C126 PolarHBondContact O-SG 3.48Å
123	V	96.4	Very high	93.4	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.018	23%	0.227	C	C	.	.	H	α-helix	trans	-65.3	-40.4	-178.1	172.4	0	0	0	0	111.5	V66 V119 K120 D121 C126 L127 I166 L178 F180	V66-V123 HydrophobicContact CG2-CG2 4.48Å; V119-V123 WeakPolarHBondContact O-CG2 3.41Å; V119-V123 PolarHBondContact O-N 3.07Å; K120-V123 PolarHBondContact O-N 2.92Å; D121-V123 PolarHBondContact O-N 2.85Å; V123-C126 WeakPolarHBondContact O-CB 3.37Å; V123-C126 PolarHBondContact O-N 2.63Å; V123-L127 WeakPolarHBondContact O-CG 3.27Å; V123-L127 PolarHBondContact O-N 3.23Å; V123-L127 VanDerWaalsContact O-N 3.17Å; V123-I166 HydrophobicContact CB-CD1 3.86Å; V123-I166 HydrophobicContact CG1-CB 4.5Å; V123-I166 HydrophobicContact CG1-CD1 4.02Å; V123-I166 HydrophobicContact CG1-CG2 4Å; V123-I166 HydrophobicContact CG2-CD1 3.99Å; V123-L178 HydrophobicContact CG1-CD1 3.84Å; V123-L178 HydrophobicContact CG2-CD1 4.01Å; V123-F180 HydrophobicContact CG2-CE2 3.95Å; V123-F180 HydrophobicContact CG2-CZ 3.51Å
124	L	95.9	Very high	93	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-66.8	-41.2	177	-65.4	173.8	0	0	0	111.6	K120 D121 I122 C126 L127 L128 P142 L145 K146 V150 M153	K120-L124 HydrophobicContact CG-CD1 4.01Å; K120-L124 VanDerWaalsContact O-CG 3.29Å; K120-L124 WeakPolarHBondContact O-CG 3.33Å; K120-L124 PolarHBondContact O-N 2.8Å; K120-L124 VanDerWaalsContact O-N 3.07Å; D121-L124 PolarHBondContact O-N 2.8Å; I122-L124 PolarHBondContact O-N 2.66Å; L124-C126 VanDerWaalsContact C-N 3.3Å; L124-C126 PolarHBondContact O-N 3.33Å; L124-L127 HydrophobicContact CD2-CD1 4.27Å; L124-L127 WeakPolarHBondContact O-CB 3.48Å; L124-L127 PolarHBondContact O-N 2.84Å; L124-L128 PolarHBondContact O-N 2.89Å; L124-P142 HydrophobicContact CB-CB 4.42Å; L124-P142 HydrophobicContact CD1-CB 3.86Å; L124-L145 HydrophobicContact CD2-CB 4.24Å; L124-L145 WeakPolarHBondContact O-CD1 3.47Å; L124-K146 HydrophobicContact CD1-CB 4.45Å; L124-K146 HydrophobicContact CD2-CB 3.99Å; L124-V150 HydrophobicContact CD2-CG2 4.09Å; L124-M153 HydrophobicContact CD2-CE 4.5Å
125	D	94.3	Very high	92.6	Very high	68 Å²	68	42.3 Å²	42.3	36%	0.364	23%	0.231	S	C	.	.	H	α-helix	trans	-64.4	-36.2	175.2	-69.1	-16.4	0	0	0	111.1	R69 D121 I122 L127 L128 D129	R69-D125 PolarHBondContact NH1-O 3.38Å; D121-D125 WeakPolarHBondContact O-CB 3.08Å; D121-D125 PolarHBondContact O-N 2.97Å; I122-D125 PolarHBondContact O-N 2.82Å; D125-L127 VanDerWaalsContact C-N 3.33Å; D125-L127 PolarHBondContact O-N 3.25Å; D125-L128 WeakPolarHBondContact O-CB 3.32Å; D125-L128 PolarHBondContact O-N 3.08Å; D125-D129 PolarHBondContact O-N 2.76Å; D125-D129 VanDerWaalsContact O-OD2 3.14Å
126	C	93.2	Very high	92.1	Very high	4 Å²	4	44.3 Å²	44.3	3%	0.027	24%	0.243	C	C	.	.	H	α-helix	trans	-59.7	-44.9	173.3	-67.5	0	0	0	0	110.9	V65 V66 I122 V123 L124 L128 D129 F130	V65-C126 HydrophobicContact CG1-CB 4.47Å; V65-C126 VanDerWaalsContact CG1-SG 3.54Å; V66-C126 HydrophobicContact CG2-CB 4.49Å; I122-C126 PolarHBondContact O-N 3.38Å; I122-C126 PolarHBondContact O-SG 3.48Å; V123-C126 WeakPolarHBondContact O-CB 3.37Å; V123-C126 PolarHBondContact O-N 2.63Å; L124-C126 VanDerWaalsContact C-N 3.3Å; L124-C126 PolarHBondContact O-N 3.33Å; C126-L128 PolarHBondContact O-N 3.3Å; C126-D129 WeakPolarHBondContact O-CB 3.45Å; C126-D129 PolarHBondContact O-N 3.14Å; C126-D129 VanDerWaalsContact O-N 3.07Å; C126-F130 HydrophobicContact CB-CE2 4.48Å; C126-F130 WeakPolarHBondContact O-CD2 3.27Å; C126-F130 PolarHBondContact O-N 2.92Å
127	L	93.1	Very high	91.8	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.016	26%	0.255	C	S	.	.	H	α-helix	trans	-60.5	-33.8	177.6	-64.4	171.3	0	0	0	112.4	L55 M57 V123 L124 D125 D129 F130 L131 V150 L168	L55-L127 HydrophobicContact CD1-CB 4.43Å; L55-L127 HydrophobicContact CD1-CD2 3.78Å; M57-L127 HydrophobicContact CE-CD2 4.48Å; M57-L127 HydrophobicContact SD-CD2 4.36Å; V123-L127 WeakPolarHBondContact O-CG 3.27Å; V123-L127 PolarHBondContact O-N 3.23Å; V123-L127 VanDerWaalsContact O-N 3.17Å; L124-L127 HydrophobicContact CD2-CD1 4.27Å; L124-L127 WeakPolarHBondContact O-CB 3.48Å; L124-L127 PolarHBondContact O-N 2.84Å; D125-L127 VanDerWaalsContact C-N 3.33Å; D125-L127 PolarHBondContact O-N 3.25Å; L127-D129 VanDerWaalsContact C-N 3.32Å; L127-F130 PolarHBondContact O-N 3.01Å; L127-L131 PolarHBondContact O-N 3.01Å; L127-V150 HydrophobicContact CD1-CG2 4.45Å; L127-L168 HydrophobicContact CD1-CD2 4.08Å; L127-L168 HydrophobicContact CD2-CD1 4.12Å; L127-L168 HydrophobicContact CD2-CD2 4.23Å
128	L	92.4	Very high	91.2	Very high	39 Å²	39	52.2 Å²	52.2	20%	0.204	28%	0.279	C	S	.	.	H	α-helix	trans	-64.1	-37.7	175.5	-171.3	71.4	0	0	0	111.6	L124 D125 C126 L131 K137 I140 L145	L124-L128 PolarHBondContact O-N 2.89Å; D125-L128 WeakPolarHBondContact O-CB 3.32Å; D125-L128 PolarHBondContact O-N 3.08Å; C126-L128 PolarHBondContact O-N 3.3Å; L128-L131 HydrophobicContact CD1-CD1 3.96Å; L128-L131 WeakPolarHBondContact O-CB 3.4Å; L128-L131 PolarHBondContact O-N 2.94Å; L128-K137 HydrophobicContact CD1-CB 4.05Å; L128-K137 HydrophobicContact CD1-CG 4.39Å; L128-K137 HydrophobicContact CG-CB 4.46Å; L128-K137 PolarHBondContact O-NZ 3.41Å; L128-I140 HydrophobicContact CD1-CB 3.88Å; L128-I140 HydrophobicContact CD1-CD1 4.48Å; L128-I140 HydrophobicContact CD1-CG2 3.84Å; L128-L145 HydrophobicContact CB-CD1 3.86Å; L128-L145 HydrophobicContact CD1-CD1 4.13Å
129	D	90.3	Very high	90.6	Very high	71 Å²	71	58.4 Å²	58.4	38%	0.38	30%	0.303	S	S	.	.	H	α-helix	trans	-65.4	-41.1	179	-56.9	-47.8	0	0	0	111.8	R69 D125 C126 L127 L131 K137	R69-D129 IonicContact CZ-OD2 3.7Å; R69-D129 IonicContact NH1-OD2 3.98Å; R69-D129 PolarHBondContact NH1-OD2 3.5Å; R69-D129 VanDerWaalsContact NH2-CG 3.31Å; R69-D129 IonicContact NH2-OD1 2.69Å; R69-D129 PolarHBondContact NH2-OD1 3.07Å; R69-D129 IonicContact NH2-OD2 2.81Å; R69-D129 PolarHBondContact NH2-OD2 3.43Å; D125-D129 PolarHBondContact O-N 2.76Å; D125-D129 VanDerWaalsContact O-OD2 3.14Å; C126-D129 WeakPolarHBondContact O-CB 3.45Å; C126-D129 PolarHBondContact O-N 3.14Å; C126-D129 VanDerWaalsContact O-N 3.07Å; L127-D129 VanDerWaalsContact C-N 3.32Å; D129-L131 PolarHBondContact O-N 3.35Å; D129-K137 PolarHBondContact O-NZ 3.44Å; D129-K137 VanDerWaalsContact O-NZ 3.08Å
130	F	89.7	Confident	90.3	Very high	46 Å²	46	59.9 Å²	59.9	20%	0.202	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-4.8	-178.9	-67.9	-73.7	0	0	0	114.2	L55 M57 Q61 V65 C126 L127	L55-F130 HydrophobicContact CD1-CB 4.45Å; M57-F130 HydrophobicContact CE-CB 4.32Å; M57-F130 HydrophobicContact CE-CD1 4.26Å; M57-F130 HydrophobicContact CE-CD2 3.12Å; M57-F130 HydrophobicContact CE-CE1 4.41Å; M57-F130 HydrophobicContact CE-CE2 3.36Å; M57-F130 HydrophobicContact CE-CG 3.66Å; M57-F130 HydrophobicContact CE-CZ 4.01Å; M57-F130 HydrophobicContact CG-CB 4.02Å; M57-F130 HydrophobicContact CG-CD1 3.86Å; M57-F130 HydrophobicContact CG-CD2 4.29Å; M57-F130 HydrophobicContact CG-CE1 4.41Å; M57-F130 HydrophobicContact CG-CG 3.8Å; M57-F130 HydrophobicContact SD-CB 3.81Å; M57-F130 HydrophobicContact SD-CD1 4.4Å; M57-F130 HydrophobicContact SD-CD2 3.79Å; M57-F130 HydrophobicContact SD-CG 3.75Å; Q61-F130 HydrophobicContact CB-CE1 4.31Å; Q61-F130 HydrophobicContact CB-CZ 4.22Å; V65-F130 HydrophobicContact CG2-CZ 4.4Å; C126-F130 HydrophobicContact CB-CE2 4.48Å; C126-F130 WeakPolarHBondContact O-CD2 3.27Å; C126-F130 PolarHBondContact O-N 2.92Å; L127-F130 PolarHBondContact O-N 3.01Å
131	L	91	Very high	90.1	Very high	4 Å²	4	60 Å²	60	2%	0.021	32%	0.316	C	S	.	.	S	Bend	trans	-65.2	139	172	-77.2	168	0	0	0	111	P53 L55 L127 L128 D129 V135 K137 I140 L145 Y149	P53-L131 HydrophobicContact CG-CD2 3.65Å; L55-L131 HydrophobicContact CD2-CD2 3.77Å; L55-L131 HydrophobicContact CD2-CG 4.2Å; L127-L131 PolarHBondContact O-N 3.01Å; L128-L131 HydrophobicContact CD1-CD1 3.96Å; L128-L131 WeakPolarHBondContact O-CB 3.4Å; L128-L131 PolarHBondContact O-N 2.94Å; D129-L131 PolarHBondContact O-N 3.35Å; L131-V135 HydrophobicContact CB-CB 4.49Å; L131-V135 HydrophobicContact CD1-CG1 4.3Å; L131-K137 WeakPolarHBondContact O-CE 3.24Å; L131-K137 PolarHBondContact O-NZ 2.98Å; L131-I140 HydrophobicContact CD1-CD1 3.48Å; L131-I140 VanDerWaalsContact CD1-CD1 3.48Å; L131-L145 HydrophobicContact CD1-CD2 4.25Å; L131-Y149 HydrophobicContact CD2-CE2 4.39Å; L131-Y149 VanDerWaalsContact CD2-OH 3.29Å; L131-Y149 WeakPolarHBondContact CD2-OH 3.44Å
132	P	88.3	Confident	89.9	Confident	53 Å²	53	60.4 Å²	60.4	34%	0.344	32%	0.322	S	S	.	.			trans	-55.5	147.8	175.1	-24.2	32.7	0	0	0	112.8	P53 C134 V135	P53-P132 HydrophobicContact CB-CG 4.45Å; P53-P132 HydrophobicContact CG-CG 4.45Å; P132-C134 PolarHBondContact O-N 2.87Å; P132-V135 HydrophobicContact CB-CG2 4.45Å; P132-V135 WeakPolarHBondContact O-CB 3.35Å; P132-V135 PolarHBondContact O-N 3.22Å
133	D	84.1	Confident	89.7	Confident	157 Å²	157	65 Å²	65	84%	0.84	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-21.3	-177.2	-62.5	-33.5	0	0	0	113.9	V135	D133-V135 PolarHBondContact O-N 3.14Å
134	C	81.3	Confident	89.6	Confident	120 Å²	120	67.1 Å²	67.1	81%	0.811	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-5	176.2	64.1	0	0	0	0	114	P132	P132-C134 PolarHBondContact O-N 2.87Å
135	V	85.6	Confident	89.5	Confident	38 Å²	38	67.2 Å²	67.2	23%	0.23	36%	0.359	C	S	.	.	S	Bend	trans	-94	129.8	179.6	-177.4	0	0	0	0	110.1	P53 L131 P132 D133 K137 I140	P53-V135 HydrophobicContact CG-CG2 4.25Å; L131-V135 HydrophobicContact CB-CB 4.49Å; L131-V135 HydrophobicContact CD1-CG1 4.3Å; P132-V135 HydrophobicContact CB-CG2 4.45Å; P132-V135 WeakPolarHBondContact O-CB 3.35Å; P132-V135 PolarHBondContact O-N 3.22Å; D133-V135 PolarHBondContact O-N 3.14Å; V135-K137 PolarHBondContact O-N 3.42Å; V135-I140 HydrophobicContact CG1-CD1 3.53Å
136	N	84.6	Confident	89.5	Confident	84 Å²	84	67.9 Å²	67.9	45%	0.449	36%	0.359	S	S	.	.			trans	-72	97.1	173.4	-174.4	-31.8	0	0	0	110.3	E138	N136-E138 VanDerWaalsContact C-N 3.31Å; N136-E138 PolarHBondContact O-N 3.18Å; N136-E138 WeakPolarHBondContact OD1-CB 3.17Å; N136-E138 PolarHBondContact OD1-N 2.65Å; N136-E138 VanDerWaalsContact OD1-N 3.12Å
137	K	87.9	Confident	89.5	Confident	65 Å²	65	73.5 Å²	73.5	28%	0.283	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-68	-25.6	-178	-58.9	-173.1	-175.6	-166.6	0	113.3	L128 D129 L131 V135 K139 I140	L128-K137 HydrophobicContact CD1-CB 4.05Å; L128-K137 HydrophobicContact CD1-CG 4.39Å; L128-K137 HydrophobicContact CG-CB 4.46Å; L128-K137 PolarHBondContact O-NZ 3.41Å; D129-K137 PolarHBondContact O-NZ 3.44Å; D129-K137 VanDerWaalsContact O-NZ 3.08Å; L131-K137 WeakPolarHBondContact O-CE 3.24Å; L131-K137 PolarHBondContact O-NZ 2.98Å; V135-K137 PolarHBondContact O-N 3.42Å; K137-K139 VanDerWaalsContact C-N 3.27Å; K137-K139 PolarHBondContact O-N 3.42Å; K137-I140 PolarHBondContact O-N 3.15Å
138	E	83.2	Confident	89.6	Confident	182 Å²	182	73.6 Å²	73.6	85%	0.85	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-67.2	-25.4	-175.9	-59.2	-179.8	169.3	0	0	113.6	N136	N136-E138 VanDerWaalsContact C-N 3.31Å; N136-E138 PolarHBondContact O-N 3.18Å; N136-E138 WeakPolarHBondContact OD1-CB 3.17Å; N136-E138 PolarHBondContact OD1-N 2.65Å; N136-E138 VanDerWaalsContact OD1-N 3.12Å
139	K	84.1	Confident	89.7	Confident	170 Å²	170	71.7 Å²	71.7	74%	0.739	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-91.3	-5	179.3	-64.3	-173.6	-179.2	-178.2	0	113.4	K137	K137-K139 VanDerWaalsContact C-N 3.27Å; K137-K139 PolarHBondContact O-N 3.42Å
140	I	90.4	Very high	89.9	Confident	30 Å²	30	68.9 Å²	68.9	15%	0.154	36%	0.361	C	S	.	.			trans	-92.1	125	-174.2	-63.2	178.8	0	0	0	108.9	F52 L128 L131 V135 K137 L145	F52-I140 HydrophobicContact CE1-CD1 4.49Å; L128-I140 HydrophobicContact CD1-CB 3.88Å; L128-I140 HydrophobicContact CD1-CD1 4.48Å; L128-I140 HydrophobicContact CD1-CG2 3.84Å; L131-I140 HydrophobicContact CD1-CD1 3.48Å; L131-I140 VanDerWaalsContact CD1-CD1 3.48Å; V135-I140 HydrophobicContact CG1-CD1 3.53Å; K137-I140 PolarHBondContact O-N 3.15Å; I140-L145 HydrophobicContact CG2-CD1 3.94Å; I140-L145 HydrophobicContact CG2-CD2 3.71Å; I140-L145 HydrophobicContact CG2-CG 3.52Å
141	T	92.3	Very high	90	Very high	65 Å²	65	70.5 Å²	70.5	40%	0.399	37%	0.369	S	S	.	.			trans	-99.5	157	177.8	68.8	0	0	0	0	111.2	L143 T144 L145	T141-L143 PolarHBondContact O-N 2.95Å; T141-T144 WeakPolarHBondContact CA-OG1 3.38Å; T141-T144 PolarHBondContact N-OG1 3.11Å; T141-T144 PolarHBondContact O-N 3.34Å; T141-T144 VanDerWaalsContact O-N 3.09Å; T141-T144 PolarHBondContact O-OG1 2.96Å; T141-T144 WeakPolarHBondContact OG1-CG2 3.36Å; T141-T144 PolarHBondContact OG1-N 2.82Å; T141-T144 PolarHBondContact OG1-OG1 3.28Å; T141-L145 PolarHBondContact O-N 3.43Å; T141-L145 VanDerWaalsContact O-N 3.09Å
142	P	92.8	Very high	90	Very high	60 Å²	60	75.5 Å²	75.5	39%	0.39	39%	0.391	S	S	.	.	H	α-helix	trans	-56.1	-35	173	-26.6	35	0	0	0	113.1	L124 L145 K146	L124-P142 HydrophobicContact CB-CB 4.42Å; L124-P142 HydrophobicContact CD1-CB 3.86Å; P142-L145 PolarHBondContact O-N 3.02Å; P142-K146 WeakPolarHBondContact O-CB 3.02Å; P142-K146 PolarHBondContact O-N 3.37Å
143	L	93.3	Very high	90.4	Very high	103 Å²	103	76 Å²	76	54%	0.539	39%	0.389	S	S	.	.	H	α-helix	trans	-63.9	-44.8	176.8	-178.2	61.3	0	0	0	111.5	T141 L145 K146 E147	T141-L143 PolarHBondContact O-N 2.95Å; L143-L145 PolarHBondContact O-N 3.08Å; L143-K146 WeakPolarHBondContact O-CB 3.34Å; L143-K146 PolarHBondContact O-N 3.46Å; L143-E147 PolarHBondContact O-N 3.32Å
144	T	93	Very high	90.9	Very high	46 Å²	46	70.5 Å²	70.5	28%	0.282	36%	0.361	S	S	.	.	H	α-helix	trans	-63.9	-38.4	177.1	46.9	0	0	0	0	112.6	T141 E147 A148	T141-T144 WeakPolarHBondContact CA-OG1 3.38Å; T141-T144 PolarHBondContact N-OG1 3.11Å; T141-T144 PolarHBondContact O-N 3.34Å; T141-T144 VanDerWaalsContact O-N 3.09Å; T141-T144 PolarHBondContact O-OG1 2.96Å; T141-T144 WeakPolarHBondContact OG1-CG2 3.36Å; T141-T144 PolarHBondContact OG1-N 2.82Å; T141-T144 PolarHBondContact OG1-OG1 3.28Å; T144-E147 PolarHBondContact O-N 2.81Å; T144-A148 VanDerWaalsContact O-CB 3.26Å; T144-A148 WeakPolarHBondContact O-CB 3.48Å; T144-A148 PolarHBondContact O-N 2.84Å
145	L	94	Very high	91.6	Very high	3 Å²	3	69.9 Å²	69.9	2%	0.016	35%	0.345	C	S	.	.	H	α-helix	trans	-66.2	-41.5	175.4	-72.3	171.5	0	0	0	112.1	L124 L128 L131 I140 T141 P142 L143 E147 A148 Y149	L124-L145 HydrophobicContact CD2-CB 4.24Å; L124-L145 WeakPolarHBondContact O-CD1 3.47Å; L128-L145 HydrophobicContact CB-CD1 3.86Å; L128-L145 HydrophobicContact CD1-CD1 4.13Å; L131-L145 HydrophobicContact CD1-CD2 4.25Å; I140-L145 HydrophobicContact CG2-CD1 3.94Å; I140-L145 HydrophobicContact CG2-CD2 3.71Å; I140-L145 HydrophobicContact CG2-CG 3.52Å; T141-L145 PolarHBondContact O-N 3.43Å; T141-L145 VanDerWaalsContact O-N 3.09Å; P142-L145 PolarHBondContact O-N 3.02Å; L143-L145 PolarHBondContact O-N 3.08Å; L145-E147 PolarHBondContact O-N 3.3Å; L145-A148 PolarHBondContact O-N 3.29Å; L145-Y149 HydrophobicContact CD2-CD2 3.91Å; L145-Y149 HydrophobicContact CD2-CE2 3.78Å; L145-Y149 PolarHBondContact O-N 3.02Å
146	K	94.9	Very high	92	Very high	83 Å²	83	69.7 Å²	69.7	36%	0.361	34%	0.343	S	S	.	.	H	α-helix	trans	-55.7	-51.1	173.5	162	176.9	-179.7	-165.9	0	110.8	L124 P142 L143 A148 V150 M153	L124-K146 HydrophobicContact CD1-CB 4.45Å; L124-K146 HydrophobicContact CD2-CB 3.99Å; P142-K146 WeakPolarHBondContact O-CB 3.02Å; P142-K146 PolarHBondContact O-N 3.37Å; L143-K146 WeakPolarHBondContact O-CB 3.34Å; L143-K146 PolarHBondContact O-N 3.46Å; K146-A148 VanDerWaalsContact C-N 3.3Å; K146-A148 PolarHBondContact O-N 3.46Å; K146-V150 VanDerWaalsContact O-CB 3.3Å; K146-V150 WeakPolarHBondContact O-CB 3.44Å; K146-V150 PolarHBondContact O-N 3.3Å; K146-V150 VanDerWaalsContact O-N 3.08Å; K146-M153 HydrophobicContact CB-CE 3.91Å; K146-M153 HydrophobicContact CD-CE 3.56Å; K146-M153 HydrophobicContact CD-SD 4.03Å; K146-M153 HydrophobicContact CG-CE 3.44Å; K146-M153 VanDerWaalsContact CG-CE 3.44Å; K146-M153 HydrophobicContact CG-SD 4.46Å
147	E	93.9	Very high	92.4	Very high	122 Å²	122	69.5 Å²	69.5	57%	0.57	34%	0.342	S	S	*	.	H	α-helix	trans	-67.4	-32	-178.3	-70.6	179.1	173.5	0	0	112.7	R49 L143 T144 L145	R49-E147 WeakPolarHBondContact CD-O 3.35Å; L143-E147 PolarHBondContact O-N 3.32Å; T144-E147 PolarHBondContact O-N 2.81Å; L145-E147 PolarHBondContact O-N 3.3Å
148	A	93.7	Very high	92.6	Very high	4 Å²	4	69.7 Å²	69.7	3%	0.033	35%	0.347	C	S	.	.	H	α-helix	trans	-75.8	-47.4	-179.2	0	0	0	0	0	113.3	R49 F52 T144 L145 K146	R49-A148 WeakPolarHBondContact CG-O 3.32Å; R49-A148 PolarHBondContact N-O 2.94Å; F52-A148 HydrophobicContact CB-CB 3.99Å; F52-A148 HydrophobicContact CD1-CB 3.78Å; F52-A148 HydrophobicContact CD2-CB 3.57Å; F52-A148 HydrophobicContact CE1-CB 4.13Å; F52-A148 HydrophobicContact CE2-CB 3.94Å; F52-A148 HydrophobicContact CG-CB 3.49Å; F52-A148 VanDerWaalsContact CG-CB 3.49Å; F52-A148 HydrophobicContact CZ-CB 4.2Å; T144-A148 VanDerWaalsContact O-CB 3.26Å; T144-A148 WeakPolarHBondContact O-CB 3.48Å; T144-A148 PolarHBondContact O-N 2.84Å; L145-A148 PolarHBondContact O-N 3.29Å; K146-A148 VanDerWaalsContact C-N 3.3Å; K146-A148 PolarHBondContact O-N 3.46Å
149	Y	94.5	Very high	92.8	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-115.8	-21.6	-165.3	-65.1	-70.5	0	0	0	114.6	I46 F52 P53 L55 L131 L145 S169	I46-Y149 HydrophobicContact CG2-CD1 4.18Å; F52-Y149 HydrophobicContact CB-CE2 4.39Å; F52-Y149 AromaticContact CD1-CE2 3.82Å; F52-Y149 HydrophobicContact CD1-CE2 3.82Å; F52-Y149 HydrophobicContact CG-CE2 4.42Å; P53-Y149 WeakPolarHBondContact CD-OH 3.47Å; P53-Y149 VanDerWaalsContact O-CE1 3.26Å; P53-Y149 WeakPolarHBondContact O-CE1 3.28Å; P53-Y149 PolarHBondContact O-OH 3Å; L55-Y149 HydrophobicContact CD1-CD1 4.04Å; L55-Y149 HydrophobicContact CD1-CE1 3.85Å; L55-Y149 HydrophobicContact CD1-CE2 4.33Å; L55-Y149 HydrophobicContact CD1-CG 4.37Å; L55-Y149 HydrophobicContact CD2-CE1 4.19Å; L55-Y149 HydrophobicContact CG-CD1 4.25Å; L55-Y149 HydrophobicContact CG-CE1 3.64Å; L131-Y149 HydrophobicContact CD2-CE2 4.39Å; L131-Y149 VanDerWaalsContact CD2-OH 3.29Å; L131-Y149 WeakPolarHBondContact CD2-OH 3.44Å; L145-Y149 HydrophobicContact CD2-CD2 3.91Å; L145-Y149 HydrophobicContact CD2-CE2 3.78Å; L145-Y149 PolarHBondContact O-N 3.02Å; Y149-S169 PolarHBondContact O-N 3.27Å
150	V	95.1	Very high	92.9	Very high	11 Å²	11	64.1 Å²	64.1	7%	0.067	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	117.3	-175.9	-175.2	0	0	0	0	110.2	L124 L127 K146 M153 I166 L168	L124-V150 HydrophobicContact CD2-CG2 4.09Å; L127-V150 HydrophobicContact CD1-CG2 4.45Å; K146-V150 VanDerWaalsContact O-CB 3.3Å; K146-V150 WeakPolarHBondContact O-CB 3.44Å; K146-V150 PolarHBondContact O-N 3.3Å; K146-V150 VanDerWaalsContact O-N 3.08Å; V150-M153 HydrophobicContact CB-CE 3.84Å; V150-M153 HydrophobicContact CG1-CE 3.58Å; V150-M153 HydrophobicContact CG1-CG 3.56Å; V150-M153 HydrophobicContact CG1-SD 4.45Å; V150-M153 HydrophobicContact CG2-CE 3.73Å; V150-I166 HydrophobicContact CG1-CG2 3.84Å; V150-I166 HydrophobicContact CG2-CG2 4.07Å; V150-L168 HydrophobicContact CG2-CD2 4.1Å
151	Q	91.4	Very high	93	Very high	81 Å²	81	63.5 Å²	63.5	38%	0.379	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	-40.2	177.7	-175.5	174	5.1	0	0	111.7	S167 N175	Q151-S167 PolarHBondContact N-O 3.24Å; Q151-N175 PolarHBondContact OE1-OD1 3.46Å
152	K	92.6	Very high	93.2	Very high	109 Å²	109	63.6 Å²	63.6	47%	0.474	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	136.4	-175	-175.9	-175	176.3	-165.8	0	110.6	V154 S167	K152-V154 HydrophobicContact CD-CG2 4.34Å; K152-V154 HydrophobicContact CG-CG2 4.13Å; K152-S167 PolarHBondContact N-O 2.89Å; K152-S167 PolarHBondContact O-N 3.36Å
153	M	95.3	Very high	93.4	Very high	62 Å²	62	62.7 Å²	62.7	31%	0.305	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	137.1	167.6	-66.2	-177.9	-173.2	0	0	109.3	L124 K146 V150 L165 I166	L124-M153 HydrophobicContact CD2-CE 4.5Å; K146-M153 HydrophobicContact CB-CE 3.91Å; K146-M153 HydrophobicContact CD-CE 3.56Å; K146-M153 HydrophobicContact CD-SD 4.03Å; K146-M153 HydrophobicContact CG-CE 3.44Å; K146-M153 VanDerWaalsContact CG-CE 3.44Å; K146-M153 HydrophobicContact CG-SD 4.46Å; V150-M153 HydrophobicContact CB-CE 3.84Å; V150-M153 HydrophobicContact CG1-CE 3.58Å; V150-M153 HydrophobicContact CG1-CG 3.56Å; V150-M153 HydrophobicContact CG1-SD 4.45Å; V150-M153 HydrophobicContact CG2-CE 3.73Å; M153-L165 CarbonylContact C-O 3.51Å; M153-L165 VanDerWaalsContact CA-O 3.28Å; M153-L165 WeakPolarHBondContact CA-O 3.28Å; M153-I166 HydrophobicContact CG-CG1 4.46Å
154	V	95.5	Very high	93.6	Very high	42 Å²	42	58.3 Å²	58.3	26%	0.255	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	135.1	174.2	-174.3	0	0	0	0	108.5	K152 V156 W163 S164 L165	K152-V154 HydrophobicContact CD-CG2 4.34Å; K152-V154 HydrophobicContact CG-CG2 4.13Å; V154-V156 HydrophobicContact CG1-CG2 4.01Å; V154-W163 HydrophobicContact CB-CZ3 4.34Å; V154-W163 HydrophobicContact CG1-CH2 4.02Å; V154-W163 HydrophobicContact CG1-CZ3 4.19Å; V154-S164 CarbonylContact O-C 3.55Å; V154-S164 WeakPolarHBondContact O-CA 3.4Å; V154-S164 PolarHBondContact O-OG 3.31Å; V154-L165 HydrophobicContact CB-CB 4.31Å; V154-L165 PolarHBondContact N-O 3.19Å; V154-L165 PolarHBondContact O-N 3.24Å
155	K	95.6	Very high	93.8	Very high	108 Å²	108	56.7 Å²	56.7	47%	0.47	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127	170.4	-178.9	179.7	65.5	166	0	108.3	E113 F116	E113-K155 IonicContact OE1-NZ 3.83Å; E113-K155 PolarHBondContact OE1-NZ 2.85Å; E113-K155 IonicContact OE2-NZ 3.97Å; E113-K155 PolarHBondContact OE2-NZ 2.9Å; F116-K155 HydrophobicContact CB-CD 4.02Å; F116-K155 HydrophobicContact CD1-CD 4.01Å; F116-K155 HydrophobicContact CD1-CG 3.76Å; F116-K155 HydrophobicContact CD2-CD 4.11Å; F116-K155 HydrophobicContact CD2-CG 4.42Å; F116-K155 HydrophobicContact CE1-CG 3.89Å; F116-K155 HydrophobicContact CG-CD 3.79Å; F116-K155 HydrophobicContact CG-CG 4.05Å; F116-K155 HydrophobicContact CZ-CG 4.29Å
156	V	94.3	Very high	93.9	Very high	33 Å²	33	56.7 Å²	56.7	20%	0.2	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	122.9	173.2	-176.2	0	0	0	0	108	V154 D161 R162 W163	V154-V156 HydrophobicContact CG1-CG2 4.01Å; V156-D161 HydrophobicContact CG1-CB 3.8Å; V156-R162 WeakPolarHBondContact O-CA 3.42Å; V156-W163 HydrophobicContact CB-CD2 4.21Å; V156-W163 HydrophobicContact CB-CG 4.37Å; V156-W163 HydrophobicContact CB-CZ2 4.2Å; V156-W163 HydrophobicContact CG2-CD2 4.19Å; V156-W163 HydrophobicContact CG2-CH2 4.01Å; V156-W163 HydrophobicContact CG2-CZ2 3.45Å; V156-W163 VanDerWaalsContact CG2-CZ2 3.45Å; V156-W163 PolarHBondContact N-O 2.63Å; V156-W163 PolarHBondContact O-N 2.72Å; V156-W163 VanDerWaalsContact O-O 3.12Å
157	N	93.6	Very high	93.9	Very high	80 Å²	80	52.8 Å²	52.8	43%	0.428	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	96.9	175.9	-174.7	21.9	0	0	0	108.5	F116 R162	F116-N157 HydrophobicContact CE2-CB 3.96Å; F116-N157 HydrophobicContact CZ-CB 4.24Å; N157-R162 PolarHBondContact OD1-NE 3.33Å
158	N	90.4	Very high	93.9	Very high	69 Å²	69	47.1 Å²	47.1	37%	0.369	24%	0.238	S	C	.	.	S	Bend	trans	-139.6	180	173.8	66.7	54.4	0	0	0	109.6	S160 D161	N158-S160 PolarHBondContact O-N 3.18Å; N158-S160 PolarHBondContact OD1-N 3.5Å; N158-S160 PolarHBondContact OD1-OG 3.17Å; N158-D161 PolarHBondContact N-O 3.29Å; N158-D161 PolarHBondContact OD1-N 3.46Å; N158-D161 PolarHBondContact OD1-O 3.07Å
159	D	87.3	Confident	93.5	Very high	178 Å²	178	47.3 Å²	47.3	95%	0.952	24%	0.239	S	C	*	.	S	Bend	trans	-62	-27.4	-174	-58.6	-28.9	0	0	0	113.9
160	S	87.9	Confident	92.9	Very high	57 Å²	57	47.7 Å²	47.7	40%	0.399	24%	0.242	S	C	.	.	S	Bend	trans	-105.8	-27.4	-177.1	56.2	0	0	0	0	114.7	N158 S183	N158-S160 PolarHBondContact O-N 3.18Å; N158-S160 PolarHBondContact OD1-N 3.5Å; N158-S160 PolarHBondContact OD1-OG 3.17Å; S160-S183 PolarHBondContact O-OG 3.46Å
161	D	92.8	Very high	92	Very high	17 Å²	17	52.7 Å²	52.7	9%	0.091	27%	0.268	C	S	.	.			trans	-130.7	120.8	-173	-67	-61.4	0	0	0	109.6	V156 N158 R185	V156-D161 HydrophobicContact CG1-CB 3.8Å; N158-D161 PolarHBondContact N-O 3.29Å; N158-D161 PolarHBondContact OD1-N 3.46Å; N158-D161 PolarHBondContact OD1-O 3.07Å; D161-R185 WeakPolarHBondContact OD1-CB 3.44Å; D161-R185 PolarHBondContact OD1-N 2.93Å
162	R	95.4	Very high	91	Very high	67 Å²	67	57.7 Å²	57.7	25%	0.253	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	101.2	173.6	-168.2	-176.5	-65.9	159.2	-1	110.6	M110 K111 F116 V156 N157 D182 S183	M110-R162 WeakPolarHBondContact O-CD 3.32Å; M110-R162 PolarHBondContact O-NH1 2.94Å; K111-R162 PolarHBondContact O-NH1 2.88Å; F116-R162 HydrophobicContact CE2-CG 3.98Å; F116-R162 HydrophobicContact CZ-CG 3.66Å; V156-R162 WeakPolarHBondContact O-CA 3.42Å; N157-R162 PolarHBondContact OD1-NE 3.33Å; R162-D182 HydrophobicContact CB-CB 4.25Å; R162-D182 HydrophobicContact CG-CB 4.35Å; R162-D182 IonicContact CZ-OD2 2.63Å; R162-D182 IonicContact NH1-OD2 2.78Å; R162-D182 PolarHBondContact NH1-OD2 2.73Å; R162-D182 PolarHBondContact O-N 3.3Å; R162-S183 CarbonylContact C-O 3.52Å; R162-S183 PolarHBondContact N-O 3.05Å; R162-S183 PolarHBondContact N-OG 3.19Å; R162-S183 PolarHBondContact O-N 3.44Å; R162-S183 VanDerWaalsContact O-N 3.15Å
163	W	96.3	Very high	89.8	Confident	42 Å²	42	53.2 Å²	53.2	16%	0.159	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	156.9	-177.5	59.5	-86.2	0	0	0	113	F116 V154 V156 L165 K179 F180 V181 L184	F116-W163 WeakPolarHBondContact CE1-O 3.43Å; V154-W163 HydrophobicContact CB-CZ3 4.34Å; V154-W163 HydrophobicContact CG1-CH2 4.02Å; V154-W163 HydrophobicContact CG1-CZ3 4.19Å; V156-W163 HydrophobicContact CB-CD2 4.21Å; V156-W163 HydrophobicContact CB-CG 4.37Å; V156-W163 HydrophobicContact CB-CZ2 4.2Å; V156-W163 HydrophobicContact CG2-CD2 4.19Å; V156-W163 HydrophobicContact CG2-CH2 4.01Å; V156-W163 HydrophobicContact CG2-CZ2 3.45Å; V156-W163 VanDerWaalsContact CG2-CZ2 3.45Å; V156-W163 PolarHBondContact N-O 2.63Å; V156-W163 PolarHBondContact O-N 2.72Å; V156-W163 VanDerWaalsContact O-O 3.12Å; W163-L165 HydrophobicContact CE3-CB 4.17Å; W163-L165 HydrophobicContact CZ3-CB 3.73Å; W163-L165 HydrophobicContact CZ3-CD1 4.22Å; W163-K179 HydrophobicContact CE3-CG 4.26Å; W163-F180 CarbonylContact C-O 3.52Å; W163-F180 WeakPolarHBondContact CA-O 3.27Å; W163-F180 VanDerWaalsContact CB-O 3.27Å; W163-F180 WeakPolarHBondContact CB-O 3.1Å; W163-V181 HydrophobicContact CB-CB 4.43Å; W163-V181 HydrophobicContact CB-CG2 4.09Å; W163-L184 HydrophobicContact CD2-CD1 4.46Å; W163-L184 HydrophobicContact CG-CD1 4.23Å
164	S	97.3	Very high	88.9	Confident	10 Å²	10	53.5 Å²	53.5	7%	0.07	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	151.6	175.9	-165.3	0	0	0	0	110	V154 K179 F180	V154-S164 CarbonylContact O-C 3.55Å; V154-S164 WeakPolarHBondContact O-CA 3.4Å; V154-S164 PolarHBondContact O-OG 3.31Å; S164-K179 CarbonylContact O-C 3.45Å; S164-K179 WeakPolarHBondContact O-CA 3.46Å; S164-F180 PolarHBondContact N-O 2.94Å; S164-F180 PolarHBondContact O-N 2.84Å
165	L	97.2	Very high	88.5	Confident	13 Å²	13	52 Å²	52	7%	0.068	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	132.5	173.5	178.8	155.6	0	0	0	110.1	M153 V154 W163 L178	M153-L165 CarbonylContact C-O 3.51Å; M153-L165 VanDerWaalsContact CA-O 3.28Å; M153-L165 WeakPolarHBondContact CA-O 3.28Å; V154-L165 HydrophobicContact CB-CB 4.31Å; V154-L165 PolarHBondContact N-O 3.19Å; V154-L165 PolarHBondContact O-N 3.24Å; W163-L165 HydrophobicContact CE3-CB 4.17Å; W163-L165 HydrophobicContact CZ3-CB 3.73Å; W163-L165 HydrophobicContact CZ3-CD1 4.22Å; L165-L178 WeakPolarHBondContact CA-O 3.26Å
166	I	97.3	Very high	88.4	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	112.9	173.2	-57.5	177.9	0	0	0	107.5	V123 V150 M153 L168 L178 F180	V123-I166 HydrophobicContact CB-CD1 3.86Å; V123-I166 HydrophobicContact CG1-CB 4.5Å; V123-I166 HydrophobicContact CG1-CD1 4.02Å; V123-I166 HydrophobicContact CG1-CG2 4Å; V123-I166 HydrophobicContact CG2-CD1 3.99Å; V150-I166 HydrophobicContact CG1-CG2 3.84Å; V150-I166 HydrophobicContact CG2-CG2 4.07Å; M153-I166 HydrophobicContact CG-CG1 4.46Å; I166-L168 HydrophobicContact CG2-CD2 4.12Å; I166-L178 PolarHBondContact N-O 2.8Å; I166-L178 PolarHBondContact O-N 2.94Å; I166-F180 HydrophobicContact CD1-CE2 4.46Å
167	S	95.1	Very high	88.4	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.014	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	121.2	179.1	-172.1	0	0	0	0	109.4	Q151 K152 V176 E177	Q151-S167 PolarHBondContact N-O 3.24Å; K152-S167 PolarHBondContact N-O 2.89Å; K152-S167 PolarHBondContact O-N 3.36Å; S167-V176 WeakPolarHBondContact CA-O 3.27Å; S167-E177 PolarHBondContact OG-OE1 3.46Å
168	L	93.6	Very high	88.6	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	135.8	-179.3	-54.5	177.4	0	0	0	109.9	I46 L127 V150 I166 N170 N175 V176 L178	I46-L168 HydrophobicContact CD1-CB 4.08Å; I46-L168 HydrophobicContact CD1-CD1 3.57Å; I46-L168 HydrophobicContact CD1-CG 4.46Å; I46-L168 HydrophobicContact CG2-CB 3.9Å; L127-L168 HydrophobicContact CD1-CD2 4.08Å; L127-L168 HydrophobicContact CD2-CD1 4.12Å; L127-L168 HydrophobicContact CD2-CD2 4.23Å; V150-L168 HydrophobicContact CG2-CD2 4.1Å; I166-L168 HydrophobicContact CG2-CD2 4.12Å; L168-N170 PolarHBondContact O-N 3.26Å; L168-N175 WeakPolarHBondContact O-CB 3.37Å; L168-V176 HydrophobicContact CB-CB 4.27Å; L168-V176 HydrophobicContact CD1-CB 4.42Å; L168-V176 PolarHBondContact N-O 2.84Å; L168-V176 PolarHBondContact O-N 3.16Å; L168-L178 HydrophobicContact CD1-CD1 4.32Å
169	S	84.7	Confident	88.9	Confident	8 Å²	8	41.6 Å²	41.6	6%	0.056	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-72	123.6	-170.6	-165	0	0	0	0	112.1	I46 H47 Y149 N171	I46-S169 CarbonylContact C-O 3.57Å; I46-S169 WeakPolarHBondContact CA-O 3.47Å; H47-S169 PolarHBondContact N-O 2.83Å; Y149-S169 PolarHBondContact O-N 3.27Å; S169-N171 PolarHBondContact OG-OD1 3.06Å
170	N	82.7	Confident	89.5	Confident	9 Å²	9	33.1 Å²	33.1	5%	0.048	16%	0.158	C	C	.	.			trans	-124.1	109.8	163.4	-173.3	-17.2	0	0	0	109.8	P45 H47 L168 R172 G173 K174 N175	P45-N170 VanDerWaalsContact O-CG 3.27Å; P45-N170 PolarHBondContact O-ND2 3.18Å; H47-N170 PolarHBondContact CE1-OD1 2.85Å; L168-N170 PolarHBondContact O-N 3.26Å; N170-R172 PolarHBondContact O-N 3.36Å; N170-R172 WeakPolarHBondContact OD1-CB 3.46Å; N170-R172 PolarHBondContact OD1-N 3.37Å; N170-G173 PolarHBondContact O-N 3.04Å; N170-K174 WeakPolarHBondContact CB-O 3.43Å; N170-K174 PolarHBondContact ND2-O 3.5Å; N170-N175 PolarHBondContact N-OD1 3.42Å; N170-N175 PolarHBondContact O-OD1 2.86Å
171	N	76.1	Confident	89.9	Confident	116 Å²	116	31 Å²	31	62%	0.62	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-6.1	-175.2	-61.1	-1.8	0	0	0	113.1	H47 S169 G173	H47-N171 HydrophobicContact CB-CB 4.45Å; H47-N171 PolarHBondContact ND1-N 2.81Å; S169-N171 PolarHBondContact OG-OD1 3.06Å; N171-G173 VanDerWaalsContact C-N 3.33Å
172	R	71	Confident	90	Very high	186 Å²	186	32.1 Å²	32.1	70%	0.702	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	4.9	171.2	-56.9	-176	-178.9	-177	1.5	113.3	N170	N170-R172 PolarHBondContact O-N 3.36Å; N170-R172 WeakPolarHBondContact OD1-CB 3.46Å; N170-R172 PolarHBondContact OD1-N 3.37Å
173	G	66.3	Low	89.9	Confident	14 Å²	14	31 Å²	31	14%	0.144	15%	0.151	C	C	.	.	S	Bend	trans	87.9	-0.2	175.5	0	0	0	0	0	115.4	K100 N170 N171	K100-G173 WeakPolarHBondContact CE-O 3.47Å; K100-G173 WeakPolarHBondContact CG-O 3.41Å; N170-G173 PolarHBondContact O-N 3.04Å; N171-G173 VanDerWaalsContact C-N 3.33Å
174	K	76.8	Confident	89.7	Confident	68 Å²	68	30 Å²	30	30%	0.296	15%	0.149	S	C	.	.			trans	-100.7	72.5	174.7	-63	-172.7	-177.3	-176.4	0	112.1	E42 Y99 K100 N170	E42-K174 IonicContact OE1-NZ 3.11Å; E42-K174 PolarHBondContact OE1-NZ 3.37Å; E42-K174 IonicContact OE2-NZ 3.96Å; Y99-K174 HydrophobicContact CE2-CD 4.28Å; Y99-K174 PolarHBondContact OH-NZ 3.47Å; K100-K174 WeakPolarHBondContact O-CA 3.48Å; K100-K174 WeakPolarHBondContact O-CB 3.33Å; K100-K174 WeakPolarHBondContact O-CG 3.38Å; N170-K174 WeakPolarHBondContact CB-O 3.43Å; N170-K174 PolarHBondContact ND2-O 3.5Å
175	N	86.6	Confident	89.3	Confident	10 Å²	10	35.1 Å²	35.1	5%	0.053	17%	0.167	C	C	.	.			trans	-68.8	155.4	-178	-55.1	-50.8	0	0	0	110.8	D101 L102 Q151 L168 N170	D101-N175 CarbonylContact C-O 3.53Å; D101-N175 WeakPolarHBondContact CA-O 3.4Å; D101-N175 VanDerWaalsContact OD1-CB 3.29Å; D101-N175 WeakPolarHBondContact OD1-CB 3.35Å; D101-N175 PolarHBondContact OD1-N 3.49Å; D101-N175 PolarHBondContact OD1-ND2 2.82Å; L102-N175 PolarHBondContact N-O 3.1Å; Q151-N175 PolarHBondContact OE1-OD1 3.46Å; L168-N175 WeakPolarHBondContact O-CB 3.37Å; N170-N175 PolarHBondContact N-OD1 3.42Å; N170-N175 PolarHBondContact O-OD1 2.86Å
176	V	92.9	Very high	88.8	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	115.2	172.5	-175.4	0	0	0	0	107.9	I44 I46 I62 L104 S167 L168 L178	I44-V176 HydrophobicContact CD1-CG2 3.2Å; I44-V176 HydrophobicContact CG1-CG2 4.37Å; I46-V176 HydrophobicContact CD1-CG2 4.5Å; I62-V176 HydrophobicContact CD1-CG1 4.3Å; L104-V176 HydrophobicContact CD1-CG1 4.36Å; S167-V176 WeakPolarHBondContact CA-O 3.27Å; L168-V176 HydrophobicContact CB-CB 4.27Å; L168-V176 HydrophobicContact CD1-CB 4.42Å; L168-V176 PolarHBondContact N-O 2.84Å; L168-V176 PolarHBondContact O-N 3.16Å; V176-L178 HydrophobicContact CG1-CD2 4Å; V176-L178 HydrophobicContact CG1-CG 4.49Å
177	E	95.6	Very high	88.3	Confident	32 Å²	32	41 Å²	41	15%	0.15	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	112.1	178.8	-53.1	-146.7	144.8	0	0	109.7	D101 L102 L104 S167	D101-E177 HydrophobicContact CB-CG 4.32Å; L102-E177 PolarHBondContact O-N 3.28Å; L104-E177 PolarHBondContact N-O 3.2Å; S167-E177 PolarHBondContact OG-OE1 3.46Å
178	L	97.4	Very high	88.1	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	109.2	173.3	-53	178.4	0	0	0	107.9	I62 L104 F106 V123 L165 I166 L168 V176 F180	I62-L178 HydrophobicContact CG2-CD1 4.06Å; I62-L178 HydrophobicContact CG2-CD2 3.85Å; L104-L178 HydrophobicContact CB-CD2 4.16Å; L104-L178 HydrophobicContact CD1-CD2 3.8Å; F106-L178 HydrophobicContact CE2-CB 4.45Å; F106-L178 HydrophobicContact CE2-CD2 4.03Å; V123-L178 HydrophobicContact CG1-CD1 3.84Å; V123-L178 HydrophobicContact CG2-CD1 4.01Å; L165-L178 WeakPolarHBondContact CA-O 3.26Å; I166-L178 PolarHBondContact N-O 2.8Å; I166-L178 PolarHBondContact O-N 2.94Å; L168-L178 HydrophobicContact CD1-CD1 4.32Å; V176-L178 HydrophobicContact CG1-CD2 4Å; V176-L178 HydrophobicContact CG1-CG 4.49Å; L178-F180 HydrophobicContact CB-CE2 3.76Å; L178-F180 HydrophobicContact CB-CZ 3.96Å
179	K	97.6	Very high	88	Confident	38 Å²	38	44.8 Å²	44.8	17%	0.165	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	125	-179.2	-163.7	-177.9	-177.3	177.2	0	109.7	L104 I105 F106 W163 S164 V181	L104-K179 PolarHBondContact O-N 2.91Å; I105-K179 CarbonylContact C-O 3.53Å; I105-K179 WeakPolarHBondContact CA-O 3.43Å; I105-K179 HydrophobicContact CG1-CB 4.3Å; I105-K179 HydrophobicContact CG1-CD 4.36Å; F106-K179 PolarHBondContact N-O 3.22Å; W163-K179 HydrophobicContact CE3-CG 4.26Å; S164-K179 CarbonylContact O-C 3.45Å; S164-K179 WeakPolarHBondContact O-CA 3.46Å; K179-V181 HydrophobicContact CD-CG2 3.89Å; K179-V181 HydrophobicContact CG-CG2 3.74Å
180	F	98	Very high	88.4	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	111.6	-178.9	-55.7	-91.9	0	0	0	108	V66 M70 F106 V119 V123 W163 S164 I166 L178	V66-F180 HydrophobicContact CG1-CE1 3.7Å; V66-F180 HydrophobicContact CG1-CZ 3.98Å; M70-F180 HydrophobicContact CE-CD1 3.9Å; M70-F180 HydrophobicContact CE-CE1 4.37Å; M70-F180 HydrophobicContact SD-CD1 3.75Å; M70-F180 HydrophobicContact SD-CE1 3.61Å; F106-F180 HydrophobicContact CB-CD1 3.75Å; F106-F180 HydrophobicContact CB-CE1 4.17Å; F106-F180 HydrophobicContact CD1-CE1 4.44Å; F106-F180 HydrophobicContact CD2-CD1 4.06Å; F106-F180 AromaticContact CD2-CE1 3.76Å; F106-F180 HydrophobicContact CD2-CE1 3.76Å; F106-F180 HydrophobicContact CD2-CZ 4.23Å; F106-F180 HydrophobicContact CE2-CE1 4.26Å; F106-F180 HydrophobicContact CE2-CZ 4.44Å; F106-F180 AromaticContact CG-CD1 3.98Å; F106-F180 HydrophobicContact CG-CD1 3.98Å; F106-F180 AromaticContact CG-CE1 3.87Å; F106-F180 HydrophobicContact CG-CE1 3.87Å; F106-F180 CarbonylContact O-C 3.54Å; F106-F180 WeakPolarHBondContact O-CA 3.5Å; V119-F180 HydrophobicContact CG1-CB 4.17Å; V119-F180 HydrophobicContact CG1-CD1 3.56Å; V119-F180 HydrophobicContact CG1-CD2 3.35Å; V119-F180 HydrophobicContact CG1-CE1 3.68Å; V119-F180 HydrophobicContact CG1-CE2 3.47Å; V119-F180 VanDerWaalsContact CG1-CE2 3.47Å; V119-F180 HydrophobicContact CG1-CG 3.4Å; V119-F180 HydrophobicContact CG1-CZ 3.64Å; V119-F180 HydrophobicContact CG2-CD1 4.27Å; V123-F180 HydrophobicContact CG2-CE2 3.95Å; V123-F180 HydrophobicContact CG2-CZ 3.51Å; W163-F180 CarbonylContact C-O 3.52Å; W163-F180 WeakPolarHBondContact CA-O 3.27Å; W163-F180 VanDerWaalsContact CB-O 3.27Å; W163-F180 WeakPolarHBondContact CB-O 3.1Å; S164-F180 PolarHBondContact N-O 2.94Å; S164-F180 PolarHBondContact O-N 2.84Å; I166-F180 HydrophobicContact CD1-CE2 4.46Å; L178-F180 HydrophobicContact CB-CE2 3.76Å; L178-F180 HydrophobicContact CB-CZ 3.96Å
181	V	97	Very high	89	Confident	12 Å²	12	44 Å²	44	7%	0.073	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	118.9	-166.8	-179.3	0	0	0	0	110.1	R78 I105 F106 C107 A108 W163 K179 L184	R78-V181 PolarHBondContact NH2-O 3.15Å; I105-V181 HydrophobicContact CG2-CB 4.15Å; I105-V181 HydrophobicContact CG2-CG2 3.77Å; F106-V181 PolarHBondContact O-N 3.09Å; C107-V181 CarbonylContact C-O 3.52Å; C107-V181 WeakPolarHBondContact CA-O 3.47Å; A108-V181 PolarHBondContact N-O 2.84Å; W163-V181 HydrophobicContact CB-CB 4.43Å; W163-V181 HydrophobicContact CB-CG2 4.09Å; K179-V181 HydrophobicContact CD-CG2 3.89Å; K179-V181 HydrophobicContact CG-CG2 3.74Å; V181-L184 HydrophobicContact CG1-CB 3.63Å
182	D	96.1	Very high	89.9	Confident	41 Å²	41	38.6 Å²	38.6	22%	0.219	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-56	164.2	-178.3	41.2	0	0	0	109.8	R78 A108 M110 R162	R78-D182 IonicContact NH1-OD1 3.47Å; R78-D182 PolarHBondContact NH1-OD1 3.46Å; R78-D182 PolarHBondContact NH2-O 3.15Å; R78-D182 IonicContact NH2-OD1 3.87Å; A108-D182 VanDerWaalsContact O-CA 3.27Å; A108-D182 WeakPolarHBondContact O-CA 3.36Å; A108-D182 WeakPolarHBondContact O-CB 3.22Å; M110-D182 HydrophobicContact CB-CB 3.75Å; M110-D182 HydrophobicContact CG-CB 4.14Å; R162-D182 HydrophobicContact CB-CB 4.25Å; R162-D182 HydrophobicContact CG-CB 4.35Å; R162-D182 IonicContact CZ-OD2 2.63Å; R162-D182 IonicContact NH1-OD2 2.78Å; R162-D182 PolarHBondContact NH1-OD2 2.73Å; R162-D182 PolarHBondContact O-N 3.3Å
183	S	93.3	Very high	90.8	Very high	42 Å²	42	30.6 Å²	30.6	29%	0.294	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	138.3	173	65	0	0	0	0	111.2	S160 R162	S160-S183 PolarHBondContact O-OG 3.46Å; R162-S183 CarbonylContact C-O 3.52Å; R162-S183 PolarHBondContact N-O 3.05Å; R162-S183 PolarHBondContact N-OG 3.19Å; R162-S183 PolarHBondContact O-N 3.44Å; R162-S183 VanDerWaalsContact O-N 3.15Å
184	L	91.3	Very high	92.1	Very high	23 Å²	23	29.9 Å²	29.9	12%	0.12	14%	0.139	C	C	.	.			trans	-145.7	113.3	178.1	180	69.2	0	0	0	109.4	W163 V181 R186 Q187	W163-L184 HydrophobicContact CD2-CD1 4.46Å; W163-L184 HydrophobicContact CG-CD1 4.23Å; V181-L184 HydrophobicContact CG1-CB 3.63Å; L184-R186 WeakPolarHBondContact CG-O 3.47Å; L184-Q187 HydrophobicContact CD2-CG 4.1Å; L184-Q187 HydrophobicContact CG-CG 4.19Å; L184-Q187 WeakPolarHBondContact O-CG 2.79Å; L184-Q187 PolarHBondContact O-NE2 2.72Å
185	R	88.8	Confident	93.1	Very high	116 Å²	116	26.7 Å²	26.7	44%	0.438	13%	0.125	S	C	.	.	S	Bend	trans	-69.6	-46.5	-179.9	-173.4	167.9	76.6	103.7	-20.8	111.6	D161 E249	D161-R185 WeakPolarHBondContact OD1-CB 3.44Å; D161-R185 PolarHBondContact OD1-N 2.93Å; R185-E249 WeakPolarHBondContact CG-OE1 3.05Å; R185-E249 IonicContact CZ-OE1 3.24Å; R185-E249 IonicContact NH1-OE1 3.48Å; R185-E249 PolarHBondContact NH1-OE1 3.11Å
186	R	86.1	Confident	93.6	Very high	59 Å²	59	26.4 Å²	26.4	22%	0.223	12%	0.123	C	C	.	.			trans	-100.9	103.5	-175.1	-56.2	-170.6	-178.9	111.4	6.1	111.1	L184 E249 R251	L184-R186 WeakPolarHBondContact CG-O 3.47Å; R186-E249 WeakPolarHBondContact CD-O 3.35Å; R186-E249 HydrophobicContact CG-CB 4.07Å; R186-E249 HydrophobicContact CG-CG 4.48Å; R186-E249 PolarHBondContact NE-O 2.97Å; R186-E249 VanDerWaalsContact NE-O 3.12Å; R186-R251 VanDerWaalsContact CZ-CZ 3.5Å
187	Q	86.3	Confident	93.9	Very high	79 Å²	79	26.3 Å²	26.3	37%	0.369	12%	0.123	S	C	.	.			trans	-103.8	-18.7	-174.2	-55.8	-165	46.1	0	0	113.9	L184 V226	L184-Q187 HydrophobicContact CD2-CG 4.1Å; L184-Q187 HydrophobicContact CG-CG 4.19Å; L184-Q187 WeakPolarHBondContact O-CG 2.79Å; L184-Q187 PolarHBondContact O-NE2 2.72Å; Q187-V226 HydrophobicContact CB-CB 4.08Å; Q187-V226 HydrophobicContact CB-CG1 4.36Å; Q187-V226 HydrophobicContact CB-CG2 3.78Å
188	F	91.1	Very high	94	Very high	26 Å²	26	27.8 Å²	27.8	11%	0.114	13%	0.128	C	C	.	.			trans	-149.3	163.5	178.7	71.1	-82.6	0	0	0	111.8	V226 Y227 N246	F188-V226 HydrophobicContact CB-CG2 3.85Å; F188-V226 HydrophobicContact CD1-CB 4.31Å; F188-V226 HydrophobicContact CD1-CG2 3.75Å; F188-V226 WeakPolarHBondContact CD1-O 3.38Å; F188-V226 WeakPolarHBondContact CE1-O 3.29Å; F188-V226 HydrophobicContact CG-CG2 4.16Å; F188-Y227 HydrophobicContact CD2-CD2 4.31Å; F188-Y227 AromaticContact CE2-CD2 3.63Å; F188-Y227 HydrophobicContact CE2-CD2 3.63Å; F188-Y227 HydrophobicContact CE2-CG 4.48Å; F188-Y227 HydrophobicContact CZ-CD2 4.03Å; F188-N246 HydrophobicContact CZ-CB 4.41Å
189	E	91.6	Very high	94	Very high	59 Å²	59	27.7 Å²	27.7	28%	0.276	13%	0.128	S	C	.	.	S	Bend	trans	-109.4	-46.2	171.5	-66.6	178.3	-171.4	0	0	111.3	D193 T244 K257	E189-D193 PolarHBondContact N-OD2 2.82Å; E189-T244 WeakPolarHBondContact O-CB 3.22Å; E189-T244 PolarHBondContact O-OG1 3.33Å; E189-K257 HydrophobicContact CB-CD 4.28Å; E189-K257 WeakPolarHBondContact OE2-CD 3.28Å; E189-K257 IonicContact OE2-NZ 3.33Å
190	F	94.7	Very high	94	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-127.8	162	174.4	-55.4	-82	0	0	0	110.5	V192 D193 S194 I242 C243 I250 K257 Y258 L261 L277 M281	F190-V192 HydrophobicContact CB-CG2 4.12Å; F190-V192 PolarHBondContact O-N 3.35Å; F190-D193 VanDerWaalsContact C-OD1 3.31Å; F190-D193 VanDerWaalsContact CA-OD1 3.29Å; F190-D193 WeakPolarHBondContact CA-OD1 3.38Å; F190-D193 VanDerWaalsContact CB-OD1 3.29Å; F190-D193 WeakPolarHBondContact CB-OD1 3.47Å; F190-D193 PolarHBondContact N-OD1 2.91Å; F190-D193 PolarHBondContact O-N 3.44Å; F190-S194 PolarHBondContact O-N 3.42Å; F190-I242 HydrophobicContact CD1-CG2 3.52Å; F190-I242 HydrophobicContact CE1-CG2 3.67Å; F190-I242 HydrophobicContact CG-CG2 4.28Å; F190-C243 WeakPolarHBondContact CA-O 3.43Å; F190-I250 HydrophobicContact CE1-CD1 4.37Å; F190-I250 HydrophobicContact CZ-CD1 4.43Å; F190-K257 HydrophobicContact CD2-CD 4Å; F190-K257 HydrophobicContact CD2-CG 4.25Å; F190-K257 HydrophobicContact CE2-CB 4.19Å; F190-K257 HydrophobicContact CE2-CD 4.12Å; F190-K257 HydrophobicContact CE2-CG 4.09Å; F190-Y258 HydrophobicContact CZ-CD2 4.45Å; F190-L261 HydrophobicContact CB-CD1 4.45Å; F190-L261 HydrophobicContact CD2-CD1 3.8Å; F190-L261 HydrophobicContact CE2-CD1 4.23Å; F190-L261 HydrophobicContact CG-CD1 4.04Å; F190-L277 HydrophobicContact CE1-CD2 4.38Å; F190-M281 HydrophobicContact CZ-SD 4.08Å
191	S	95.2	Very high	93.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-55.7	-38	177.2	47.8	0	0	0	0	112.7	D193 S194 H236 C243	S191-D193 PolarHBondContact O-N 3.42Å; S191-D193 VanDerWaalsContact O-N 3.16Å; S191-S194 WeakPolarHBondContact O-CB 3.49Å; S191-S194 PolarHBondContact O-N 3.47Å; S191-S194 PolarHBondContact O-OG 2.88Å; S191-H236 PolarHBondContact OG-ND1 2.93Å; S191-C243 PolarHBondContact N-O 3.44Å; S191-C243 PolarHBondContact OG-O 3.12Å
192	V	93.9	Very high	93.8	Very high	2 Å²	2	30 Å²	30	1%	0.012	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-68.4	-12.9	-175.7	-59	0	0	0	0	114.5	S88 F190 H236 L237 I241 L261 F266	S88-V192 PolarHBondContact OG-O 3.39Å; F190-V192 HydrophobicContact CB-CG2 4.12Å; F190-V192 PolarHBondContact O-N 3.35Å; V192-H236 HydrophobicContact CG1-CB 4.25Å; V192-L237 HydrophobicContact CB-CD1 4.18Å; V192-I241 VanDerWaalsContact CG1-O 3.28Å; V192-I241 WeakPolarHBondContact CG1-O 3.26Å; V192-L261 HydrophobicContact CG2-CD1 4.09Å; V192-L261 HydrophobicContact CG2-CD2 4.04Å; V192-F266 HydrophobicContact CB-CE1 4.28Å; V192-F266 HydrophobicContact CG1-CD1 4.22Å; V192-F266 HydrophobicContact CG1-CE1 3.83Å; V192-F266 HydrophobicContact CG2-CE1 4.46Å
193	D	90.4	Very high	93.8	Very high	18 Å²	18	28.8 Å²	28.8	10%	0.096	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-120.2	15.8	177.1	63.6	-78.6	0	0	0	113.1	E189 F190 S191 K257	E189-D193 PolarHBondContact N-OD2 2.82Å; F190-D193 VanDerWaalsContact C-OD1 3.31Å; F190-D193 VanDerWaalsContact CA-OD1 3.29Å; F190-D193 WeakPolarHBondContact CA-OD1 3.38Å; F190-D193 VanDerWaalsContact CB-OD1 3.29Å; F190-D193 WeakPolarHBondContact CB-OD1 3.47Å; F190-D193 PolarHBondContact N-OD1 2.91Å; F190-D193 PolarHBondContact O-N 3.44Å; S191-D193 PolarHBondContact O-N 3.42Å; S191-D193 VanDerWaalsContact O-N 3.16Å; D193-K257 IonicContact OD1-NZ 2.71Å; D193-K257 PolarHBondContact OD1-NZ 3.38Å; D193-K257 IonicContact OD2-NZ 2.91Å; D193-K257 PolarHBondContact OD2-NZ 3.47Å
194	S	94.4	Very high	93.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.151	C	C	.	.			trans	-92.7	6.3	-174.5	71.1	0	0	0	0	114.6	F190 S191 S225 V226 Y227	F190-S194 PolarHBondContact O-N 3.42Å; S191-S194 WeakPolarHBondContact O-CB 3.49Å; S191-S194 PolarHBondContact O-N 3.47Å; S191-S194 PolarHBondContact O-OG 2.88Å; S194-S225 PolarHBondContact OG-OG 2.93Å; S194-V226 VanDerWaalsContact O-CG2 3.23Å; S194-V226 WeakPolarHBondContact O-CG2 3.42Å; S194-V226 PolarHBondContact O-N 3.49Å; S194-Y227 WeakPolarHBondContact OG-CB 3.39Å
195	F	96.4	Very high	94	Very high	1 Å²	1	32 Å²	32	0%	0.004	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	131.4	-174.7	-58.6	-73.7	0	0	0	112.3	N83 A87 L91 E224 F230 A233 L234 L237	N83-F195 PolarHBondContact OD1-O 3.29Å; N83-F195 VanDerWaalsContact OD1-O 3.07Å; A87-F195 HydrophobicContact CB-CB 4.02Å; A87-F195 WeakPolarHBondContact CB-O 3.35Å; L91-F195 HydrophobicContact CD1-CB 3.68Å; L91-F195 HydrophobicContact CD1-CD1 3.26Å; L91-F195 HydrophobicContact CD1-CD2 3.94Å; L91-F195 HydrophobicContact CD1-CE1 3.76Å; L91-F195 HydrophobicContact CD1-CE2 4.38Å; L91-F195 HydrophobicContact CD1-CG 3.34Å; L91-F195 HydrophobicContact CD1-CZ 4.27Å; F195-E224 WeakPolarHBondContact CA-O 3.29Å; F195-F230 HydrophobicContact CD1-CD2 4.29Å; F195-F230 AromaticContact CD1-CE2 3.84Å; F195-F230 HydrophobicContact CD1-CE2 3.84Å; F195-F230 HydrophobicContact CD1-CZ 4.26Å; F195-F230 HydrophobicContact CE1-CD2 4.39Å; F195-F230 HydrophobicContact CE1-CE2 4.17Å; F195-F230 HydrophobicContact CE1-CZ 4.34Å; F195-A233 HydrophobicContact CE1-CB 3.81Å; F195-A233 VanDerWaalsContact CZ-C 3.49Å; F195-A233 HydrophobicContact CZ-CB 3.69Å; F195-L234 HydrophobicContact CE1-CB 4.48Å; F195-L234 HydrophobicContact CZ-CB 4.37Å; F195-L237 HydrophobicContact CD2-CD2 4.43Å; F195-L237 HydrophobicContact CE2-CB 4.22Å; F195-L237 HydrophobicContact CE2-CD2 3.79Å; F195-L237 HydrophobicContact CZ-CB 4.48Å; F195-L237 HydrophobicContact CZ-CD2 4.41Å
196	Q	97.4	Very high	94.2	Very high	4 Å²	4	29 Å²	29	2%	0.019	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	124.9	170.8	-62.7	-178.9	11.5	0	0	109.6	R81 L82 N83 E224 V226	R81-Q196 HydrophobicContact CB-CB 4.33Å; L82-Q196 CarbonylContact O-C 3.49Å; L82-Q196 VanDerWaalsContact O-CA 3.31Å; L82-Q196 WeakPolarHBondContact O-CA 3.44Å; N83-Q196 HydrophobicContact CB-CG 4.4Å; Q196-E224 PolarHBondContact N-O 2.93Å; Q196-E224 PolarHBondContact O-N 3.17Å; Q196-V226 HydrophobicContact CG-CG1 4.35Å
197	I	98.3	Very high	94.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	120.9	-179.6	-57.5	169.6	0	0	0	109	L28 L36 R81 L82 A87 V90 L91 L199 I221	L28-I197 HydrophobicContact CD1-CG2 4.5Å; L28-I197 HydrophobicContact CD2-CD1 4.19Å; L28-I197 HydrophobicContact CD2-CG2 3.91Å; L36-I197 HydrophobicContact CD2-CG2 3.79Å; R81-I197 CarbonylContact C-O 3.58Å; R81-I197 WeakPolarHBondContact CA-O 3.39Å; L82-I197 HydrophobicContact CB-CB 4.41Å; L82-I197 PolarHBondContact N-O 3.05Å; L82-I197 PolarHBondContact O-N 2.98Å; A87-I197 HydrophobicContact CB-CD1 4Å; A87-I197 HydrophobicContact CB-CG1 4.13Å; V90-I197 HydrophobicContact CB-CD1 3.68Å; V90-I197 HydrophobicContact CG1-CD1 3.58Å; V90-I197 HydrophobicContact CG2-CD1 4.2Å; L91-I197 HydrophobicContact CG-CD1 4.43Å; I197-L199 HydrophobicContact CG2-CD2 4.44Å; I197-L199 PolarHBondContact O-N 3.11Å; I197-I221 HydrophobicContact CG2-CG2 3.67Å
198	K	98	Very high	94.7	Very high	62 Å²	62	32.1 Å²	32.1	27%	0.27	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	123.8	179.3	-64	-178.9	-178.5	174.2	0	109.7	R81 V222 E224	R81-K198 HydrophobicContact CG-CG 4.48Å; K198-V222 PolarHBondContact N-O 3.05Å; K198-E224 WeakPolarHBondContact CE-OE2 3.29Å; K198-E224 IonicContact NZ-OE2 3.72Å; K198-E224 PolarHBondContact NZ-OE2 3.44Å
199	L	98.2	Very high	94.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.172	C	C	.	.			trans	-93.9	-17.4	-173	-57.3	-172	0	0	0	113.2	L36 L40 V80 L82 L104 I197 S201 L202 L203	L36-L199 HydrophobicContact CD1-CD2 3.97Å; L36-L199 HydrophobicContact CD2-CD2 4.16Å; L40-L199 HydrophobicContact CD1-CD1 4.39Å; L40-L199 HydrophobicContact CD1-CD2 4.05Å; L40-L199 HydrophobicContact CD2-CD1 4.21Å; V80-L199 HydrophobicContact CG1-CD1 4.19Å; V80-L199 WeakPolarHBondContact O-CB 3.45Å; V80-L199 PolarHBondContact O-N 2.95Å; L82-L199 HydrophobicContact CB-CD1 4.27Å; L82-L199 HydrophobicContact CB-CD2 3.94Å; L82-L199 HydrophobicContact CB-CG 4.38Å; L104-L199 HydrophobicContact CD2-CD1 3.92Å; I197-L199 HydrophobicContact CG2-CD2 4.44Å; I197-L199 PolarHBondContact O-N 3.11Å; L199-S201 PolarHBondContact O-N 3.01Å; L199-L202 WeakPolarHBondContact O-CA 3.49Å; L199-L202 WeakPolarHBondContact O-CB 3.37Å; L199-L202 PolarHBondContact O-N 2.98Å; L199-L203 HydrophobicContact CB-CD1 3.87Å; L199-L203 HydrophobicContact CB-CG 4.18Å; L199-L203 WeakPolarHBondContact O-CG 3.11Å; L199-L203 PolarHBondContact O-N 3.4Å
200	D	96.6	Very high	94.6	Very high	42 Å²	42	38.8 Å²	38.8	23%	0.225	20%	0.202	C	C	.	.	H	α-helix	trans	-51.5	-48	-171	-76.4	19	0	0	0	113.9	R67 V80 L202 L203 L204	R67-D200 IonicContact CZ-OD1 3.95Å; R67-D200 IonicContact CZ-OD2 2.63Å; R67-D200 IonicContact NH1-OD1 3.87Å; R67-D200 PolarHBondContact NH1-OD1 3.13Å; R67-D200 IonicContact NH1-OD2 3Å; R67-D200 PolarHBondContact NH1-OD2 3.49Å; R67-D200 IonicContact NH2-OD1 3.18Å; R67-D200 IonicContact NH2-OD2 3.67Å; R67-D200 PolarHBondContact NH2-OD2 3.19Å; V80-D200 PolarHBondContact N-OD1 2.81Å; D200-L202 VanDerWaalsContact C-N 3.28Å; D200-L202 PolarHBondContact O-N 3.48Å; D200-L203 PolarHBondContact O-N 2.76Å; D200-L204 WeakPolarHBondContact O-CB 3.17Å; D200-L204 PolarHBondContact O-N 3.2Å
201	S	96.4	Very high	94.4	Very high	56 Å²	56	44 Å²	44	39%	0.392	23%	0.23	S	C	.	.	H	α-helix	trans	-62.6	-34.7	179.1	-58.5	0	0	0	0	112.8	L199 F205 T220	L199-S201 PolarHBondContact O-N 3.01Å; S201-F205 WeakPolarHBondContact O-CB 3.36Å; S201-F205 PolarHBondContact O-N 3.49Å; S201-F205 VanDerWaalsContact O-N 3.14Å; S201-T220 VanDerWaalsContact CB-O 3.31Å; S201-T220 WeakPolarHBondContact CB-O 3.33Å; S201-T220 PolarHBondContact OG-O 2.83Å
202	L	96.3	Very high	94.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-77	-40	178.6	-179.1	55.9	0	0	0	111.8	L36 L40 L199 D200 F205 Y206 M213 P219 I221	L36-L202 HydrophobicContact CD2-CD2 3.75Å; L36-L202 HydrophobicContact CG-CD2 3.88Å; L40-L202 HydrophobicContact CD1-CD2 3.63Å; L40-L202 HydrophobicContact CD1-CG 4.5Å; L199-L202 WeakPolarHBondContact O-CA 3.49Å; L199-L202 WeakPolarHBondContact O-CB 3.37Å; L199-L202 PolarHBondContact O-N 2.98Å; D200-L202 VanDerWaalsContact C-N 3.28Å; D200-L202 PolarHBondContact O-N 3.48Å; L202-F205 WeakPolarHBondContact O-CB 3.04Å; L202-F205 PolarHBondContact O-N 3.21Å; L202-Y206 HydrophobicContact CD1-CE1 3.89Å; L202-Y206 HydrophobicContact CD1-CE2 4.18Å; L202-Y206 HydrophobicContact CD2-CE2 4.42Å; L202-Y206 HydrophobicContact CG-CE1 4.42Å; L202-Y206 HydrophobicContact CG-CE2 3.8Å; L202-Y206 WeakPolarHBondContact O-CD2 3.47Å; L202-Y206 PolarHBondContact O-N 2.88Å; L202-M213 HydrophobicContact CD1-CE 3.66Å; L202-M213 HydrophobicContact CD1-SD 3.65Å; L202-P219 HydrophobicContact CB-CG 4.46Å; L202-P219 HydrophobicContact CD1-CG 3.95Å; L202-I221 HydrophobicContact CB-CD1 3.8Å; L202-I221 HydrophobicContact CB-CG1 4.49Å; L202-I221 HydrophobicContact CD1-CD1 4.3Å; L202-I221 HydrophobicContact CD2-CD1 3.84Å; L202-I221 HydrophobicContact CG-CD1 4.2Å
203	L	94.4	Very high	94.2	Very high	15 Å²	15	50.4 Å²	50.4	8%	0.079	27%	0.27	C	S	.	.	H	α-helix	trans	-62.9	-44.2	175.1	-63.8	167	0	0	0	111	V63 V80 L199 D200 F205 Y206 E207	V63-L203 HydrophobicContact CB-CD2 4.38Å; V63-L203 HydrophobicContact CG1-CD1 3.48Å; V63-L203 VanDerWaalsContact CG1-CD1 3.48Å; V63-L203 HydrophobicContact CG1-CD2 4.08Å; V63-L203 HydrophobicContact CG1-CG 4.44Å; V80-L203 HydrophobicContact CB-CD1 4.46Å; L199-L203 HydrophobicContact CB-CD1 3.87Å; L199-L203 HydrophobicContact CB-CG 4.18Å; L199-L203 WeakPolarHBondContact O-CG 3.11Å; L199-L203 PolarHBondContact O-N 3.4Å; D200-L203 PolarHBondContact O-N 2.76Å; L203-F205 VanDerWaalsContact C-N 3.31Å; L203-F205 PolarHBondContact O-N 2.91Å; L203-Y206 HydrophobicContact CD2-CD2 4.45Å; L203-Y206 PolarHBondContact O-N 2.87Å; L203-E207 PolarHBondContact O-N 2.84Å
204	L	94.4	Very high	94.4	Very high	103 Å²	103	51.7 Å²	51.7	54%	0.539	28%	0.28	S	S	.	.	H	α-helix	trans	-61	-40.9	174.8	-177.8	64.1	0	0	0	111.5	D200 Y206 E207 C208	D200-L204 WeakPolarHBondContact O-CB 3.17Å; D200-L204 PolarHBondContact O-N 3.2Å; L204-Y206 VanDerWaalsContact C-N 3.33Å; L204-Y206 PolarHBondContact O-N 2.82Å; L204-E207 PolarHBondContact O-N 3.18Å; L204-E207 VanDerWaalsContact O-N 3.11Å; L204-C208 PolarHBondContact O-N 3.27Å; L204-C208 PolarHBondContact O-SG 3Å
205	F	95.3	Very high	94.4	Very high	29 Å²	29	58.4 Å²	58.4	13%	0.127	31%	0.312	C	S	.	.	H	α-helix	trans	-59	-43.4	175.4	-178.1	-86.8	0	0	0	112	S201 L202 L203 E207 C208 S209 M213 F217 P219	S201-F205 WeakPolarHBondContact O-CB 3.36Å; S201-F205 PolarHBondContact O-N 3.49Å; S201-F205 VanDerWaalsContact O-N 3.14Å; L202-F205 WeakPolarHBondContact O-CB 3.04Å; L202-F205 PolarHBondContact O-N 3.21Å; L203-F205 VanDerWaalsContact C-N 3.31Å; L203-F205 PolarHBondContact O-N 2.91Å; F205-E207 PolarHBondContact O-N 3.47Å; F205-C208 PolarHBondContact O-N 2.58Å; F205-S209 WeakPolarHBondContact CZ-OG 3.39Å; F205-S209 WeakPolarHBondContact O-CB 3.48Å; F205-S209 PolarHBondContact O-N 3.29Å; F205-M213 HydrophobicContact CD1-CG 3.84Å; F205-M213 HydrophobicContact CD1-SD 4.15Å; F205-M213 HydrophobicContact CE1-CB 4.47Å; F205-M213 HydrophobicContact CE1-CG 3.22Å; F205-M213 HydrophobicContact CE1-SD 4.13Å; F205-M213 HydrophobicContact CE2-CG 4.43Å; F205-M213 HydrophobicContact CZ-CG 3.56Å; F205-F217 HydrophobicContact CE2-CD1 4.13Å; F205-F217 AromaticContact CE2-CE1 3.55Å; F205-F217 HydrophobicContact CE2-CE1 3.55Å; F205-F217 HydrophobicContact CE2-CE2 4.4Å; F205-F217 AromaticContact CE2-CZ 3.71Å; F205-F217 HydrophobicContact CE2-CZ 3.71Å; F205-F217 AromaticContact CZ-CD1 3.97Å; F205-F217 HydrophobicContact CZ-CD1 3.97Å; F205-F217 AromaticContact CZ-CE1 3.49Å; F205-F217 HydrophobicContact CZ-CE1 3.49Å; F205-F217 VanDerWaalsContact CZ-CE1 3.49Å; F205-F217 HydrophobicContact CZ-CZ 4.12Å; F205-P219 HydrophobicContact CB-CB 4.15Å; F205-P219 HydrophobicContact CB-CG 3.88Å; F205-P219 HydrophobicContact CD2-CB 4.44Å; F205-P219 HydrophobicContact CD2-CG 4.3Å; F205-P219 HydrophobicContact CG-CG 4.07Å
206	Y	93.2	Very high	94.3	Very high	55 Å²	55	65 Å²	65	22%	0.216	35%	0.352	C	S	.	.	H	α-helix	trans	-63.6	-26.3	176.3	-62.6	-39.2	0	0	0	113.9	D37 R60 L202 L203 L204 M213	D37-Y206 WeakPolarHBondContact OD1-CE1 3.48Å; D37-Y206 PolarHBondContact OD1-OH 2.88Å; R60-Y206 HydrophobicContact CB-CD2 4.26Å; R60-Y206 HydrophobicContact CB-CE2 3.99Å; L202-Y206 HydrophobicContact CD1-CE1 3.89Å; L202-Y206 HydrophobicContact CD1-CE2 4.18Å; L202-Y206 HydrophobicContact CD2-CE2 4.42Å; L202-Y206 HydrophobicContact CG-CE1 4.42Å; L202-Y206 HydrophobicContact CG-CE2 3.8Å; L202-Y206 WeakPolarHBondContact O-CD2 3.47Å; L202-Y206 PolarHBondContact O-N 2.88Å; L203-Y206 HydrophobicContact CD2-CD2 4.45Å; L203-Y206 PolarHBondContact O-N 2.87Å; L204-Y206 VanDerWaalsContact C-N 3.33Å; L204-Y206 PolarHBondContact O-N 2.82Å; Y206-M213 HydrophobicContact CE1-CE 4.13Å
207	E	90.8	Very high	94.2	Very high	104 Å²	104	69.1 Å²	69.1	49%	0.486	37%	0.37	S	S	.	.	H	α-helix	trans	-83.8	-32.3	179.5	-68.6	-176.4	166.4	0	0	112.7	K64 L203 L204 F205	K64-E207 VanDerWaalsContact CE-OE1 3.28Å; K64-E207 WeakPolarHBondContact CE-OE1 3.29Å; K64-E207 IonicContact NZ-OE1 3.78Å; L203-E207 PolarHBondContact O-N 2.84Å; L204-E207 PolarHBondContact O-N 3.18Å; L204-E207 VanDerWaalsContact O-N 3.11Å; F205-E207 PolarHBondContact O-N 3.47Å
208	C	92.6	Very high	94.1	Very high	99 Å²	99	72 Å²	72	67%	0.669	38%	0.383	S	S	*	.	H	α-helix	trans	-103.8	-23.4	-172.5	-60.5	0	0	0	0	114.4	L204 F205	L204-C208 PolarHBondContact O-N 3.27Å; L204-C208 PolarHBondContact O-SG 3Å; F205-C208 PolarHBondContact O-N 2.58Å
209	S	91.5	Very high	94	Very high	29 Å²	29	70 Å²	70	20%	0.203	38%	0.376	C	S	.	.			trans	-98.6	126.4	-175.4	-174.9	0	0	0	0	112.1	F205 N211 F217	F205-S209 WeakPolarHBondContact CZ-OG 3.39Å; F205-S209 WeakPolarHBondContact O-CB 3.48Å; F205-S209 PolarHBondContact O-N 3.29Å; S209-N211 PolarHBondContact OG-N 3.22Å; S209-N211 PolarHBondContact OG-O 3.07Å; S209-F217 WeakPolarHBondContact OG-CE1 3.44Å
210	E	88.3	Confident	94	Very high	195 Å²	195	74.4 Å²	74.4	91%	0.911	40%	0.403	S	S	*	.	S	Bend	trans	-82.1	-21	168.5	-62.1	-177.9	175.1	0	0	112.3
211	N	89.9	Confident	94	Very high	110 Å²	110	72.4 Å²	72.4	59%	0.588	39%	0.393	S	S	*	.	S	Bend	trans	-90.4	142.7	-177.3	-67.2	-45	0	0	0	111.4	S209 F217	S209-N211 PolarHBondContact OG-N 3.22Å; S209-N211 PolarHBondContact OG-O 3.07Å; N211-F217 HydrophobicContact CB-CD1 4.48Å; N211-F217 HydrophobicContact CB-CE1 3.99Å
212	P	90.6	Very high	94.1	Very high	107 Å²	107	71.6 Å²	71.6	70%	0.695	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-65.2	154.7	172.4	29.9	-35.1	0	0	0	111
213	M	94.3	Very high	94.2	Very high	30 Å²	30	71.6 Å²	71.6	15%	0.148	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-67.4	147.7	176.2	-70.8	-174.3	-72.3	0	0	111.8	W30 V33 D37 L202 F205 Y206 F217 H218 P219	W30-M213 HydrophobicContact CH2-CB 3.84Å; W30-M213 HydrophobicContact CZ3-CB 4.05Å; V33-M213 HydrophobicContact CG1-SD 4.29Å; D37-M213 HydrophobicContact CB-CE 3.5Å; D37-M213 VanDerWaalsContact CB-CE 3.5Å; D37-M213 WeakPolarHBondContact OD1-CE 3.44Å; L202-M213 HydrophobicContact CD1-CE 3.66Å; L202-M213 HydrophobicContact CD1-SD 3.65Å; F205-M213 HydrophobicContact CD1-CG 3.84Å; F205-M213 HydrophobicContact CD1-SD 4.15Å; F205-M213 HydrophobicContact CE1-CB 4.47Å; F205-M213 HydrophobicContact CE1-CG 3.22Å; F205-M213 HydrophobicContact CE1-SD 4.13Å; F205-M213 HydrophobicContact CE2-CG 4.43Å; F205-M213 HydrophobicContact CZ-CG 3.56Å; Y206-M213 HydrophobicContact CE1-CE 4.13Å; M213-F217 WeakPolarHBondContact CA-O 3.46Å; M213-H218 HydrophobicContact CB-CB 4.42Å; M213-H218 HydrophobicContact CG-CB 4.4Å; M213-H218 HydrophobicContact SD-CB 4.29Å; M213-P219 VanDerWaalsContact SD-CD 3.51Å; M213-P219 HydrophobicContact SD-CG 4.19Å
214	S	95.1	Very high	94.3	Very high	45 Å²	45	72.6 Å²	72.6	32%	0.315	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-142.8	168.6	172.1	65.5	0	0	0	0	110.6	W30 T216 F217 H218	W30-S214 VanDerWaalsContact CH2-C 3.49Å; S214-T216 PolarHBondContact O-N 3.49Å; S214-T216 VanDerWaalsContact O-N 3.13Å; S214-F217 PolarHBondContact N-O 2.7Å; S214-F217 CarbonylContact O-C 3.14Å; S214-F217 PolarHBondContact O-N 3.15Å; S214-F217 VanDerWaalsContact O-O 3.07Å; S214-F217 WeakPolarHBondContact OG-CB 3.45Å; S214-F217 PolarHBondContact OG-N 3.3Å; S214-H218 PolarHBondContact O-ND1 3.17Å
215	E	94.6	Very high	94.4	Very high	141 Å²	141	67.8 Å²	67.8	66%	0.659	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-31.7	178.3	-173	175.2	-173	0	0	113	W30 H218	W30-E215 HydrophobicContact CB-CG 4.37Å; W30-E215 HydrophobicContact CD2-CB 4.26Å; W30-E215 HydrophobicContact CG-CB 4.09Å; W30-E215 HydrophobicContact CG-CG 3.97Å; E215-H218 PolarHBondContact O-CE1 2.85Å; E215-H218 PolarHBondContact O-ND1 2.83Å
216	T	94.8	Very high	94.4	Very high	138 Å²	138	67.8 Å²	67.8	85%	0.847	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-7.2	177	53.5	0	0	0	0	113.8	S214	S214-T216 PolarHBondContact O-N 3.49Å; S214-T216 VanDerWaalsContact O-N 3.13Å
217	F	94.8	Very high	94.4	Very high	92 Å²	92	65.6 Å²	65.6	40%	0.404	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-144.5	87.5	-175.7	-176.2	-111.7	0	0	0	110.6	F205 S209 N211 M213 S214	F205-F217 HydrophobicContact CE2-CD1 4.13Å; F205-F217 AromaticContact CE2-CE1 3.55Å; F205-F217 HydrophobicContact CE2-CE1 3.55Å; F205-F217 HydrophobicContact CE2-CE2 4.4Å; F205-F217 AromaticContact CE2-CZ 3.71Å; F205-F217 HydrophobicContact CE2-CZ 3.71Å; F205-F217 AromaticContact CZ-CD1 3.97Å; F205-F217 HydrophobicContact CZ-CD1 3.97Å; F205-F217 AromaticContact CZ-CE1 3.49Å; F205-F217 HydrophobicContact CZ-CE1 3.49Å; F205-F217 VanDerWaalsContact CZ-CE1 3.49Å; F205-F217 HydrophobicContact CZ-CZ 4.12Å; S209-F217 WeakPolarHBondContact OG-CE1 3.44Å; N211-F217 HydrophobicContact CB-CD1 4.48Å; N211-F217 HydrophobicContact CB-CE1 3.99Å; M213-F217 WeakPolarHBondContact CA-O 3.46Å; S214-F217 PolarHBondContact N-O 2.7Å; S214-F217 CarbonylContact O-C 3.14Å; S214-F217 PolarHBondContact O-N 3.15Å; S214-F217 VanDerWaalsContact O-O 3.07Å; S214-F217 WeakPolarHBondContact OG-CB 3.45Å; S214-F217 PolarHBondContact OG-N 3.3Å
218	H	95.9	Very high	94.6	Very high	61 Å²	61	61.7 Å²	61.7	28%	0.282	35%	0.346	S	S	.	.			trans	-151.1	153.8	176.8	58.7	-94.4	0	0	0	110.3	W30 V33 M213 S214 E215	W30-H218 HydrophobicContact CE3-CB 3.84Å; W30-H218 AromaticContact CE3-CE1 3.81Å; W30-H218 AromaticContact CE3-CG 3.5Å; W30-H218 AromaticContact CE3-ND1 3.34Å; W30-H218 VanDerWaalsContact CE3-ND1 3.34Å; W30-H218 HydrophobicContact CZ3-CB 3.5Å; W30-H218 AromaticContact CZ3-CG 3.74Å; W30-H218 AromaticContact CZ3-ND1 3.82Å; V33-H218 HydrophobicContact CG1-CB 4.43Å; M213-H218 HydrophobicContact CB-CB 4.42Å; M213-H218 HydrophobicContact CG-CB 4.4Å; M213-H218 HydrophobicContact SD-CB 4.29Å; S214-H218 PolarHBondContact O-ND1 3.17Å; E215-H218 PolarHBondContact O-CE1 2.85Å; E215-H218 PolarHBondContact O-ND1 2.83Å
219	P	96.7	Very high	94.7	Very high	18 Å²	18	59.3 Å²	59.3	12%	0.117	33%	0.327	C	S	.	.			trans	-69.4	149.1	177.6	29.4	-33.4	0	0	0	110.8	L202 F205 M213 I221	L202-P219 HydrophobicContact CB-CG 4.46Å; L202-P219 HydrophobicContact CD1-CG 3.95Å; F205-P219 HydrophobicContact CB-CB 4.15Å; F205-P219 HydrophobicContact CB-CG 3.88Å; F205-P219 HydrophobicContact CD2-CB 4.44Å; F205-P219 HydrophobicContact CD2-CG 4.3Å; F205-P219 HydrophobicContact CG-CG 4.07Å; M213-P219 VanDerWaalsContact SD-CD 3.51Å; M213-P219 HydrophobicContact SD-CG 4.19Å; P219-I221 HydrophobicContact CG-CD1 4.37Å; P219-I221 HydrophobicContact CG-CG1 4.27Å; P219-I221 PolarHBondContact O-N 2.94Å
220	T	97.1	Very high	95	Very high	93 Å²	93	58.3 Å²	58.3	57%	0.571	32%	0.319	S	S	*	.			trans	-72.5	118	167.9	-53.5	0	0	0	0	109.3	V27 S201	V27-T220 HydrophobicContact CG1-CG2 3.69Å; V27-T220 HydrophobicContact CG2-CG2 4.2Å; S201-T220 VanDerWaalsContact CB-O 3.31Å; S201-T220 WeakPolarHBondContact CB-O 3.33Å; S201-T220 PolarHBondContact OG-O 2.83Å
221	I	97.9	Very high	95.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	30%	0.297	C	S	.	.			trans	-110.7	137.3	-179.1	-55.1	-173.6	0	0	0	109.4	V27 L28 V33 L36 I197 L202 P219	V27-I221 WeakPolarHBondContact CA-O 3.48Å; L28-I221 HydrophobicContact CB-CB 4.38Å; L28-I221 HydrophobicContact CD2-CG2 4.03Å; L28-I221 PolarHBondContact N-O 3.05Å; V33-I221 HydrophobicContact CB-CD1 4.35Å; V33-I221 HydrophobicContact CG1-CD1 3.79Å; V33-I221 HydrophobicContact CG2-CB 4.28Å; V33-I221 HydrophobicContact CG2-CD1 3.97Å; V33-I221 HydrophobicContact CG2-CG1 4.16Å; L36-I221 HydrophobicContact CD2-CD1 3.67Å; L36-I221 HydrophobicContact CD2-CG2 3.92Å; I197-I221 HydrophobicContact CG2-CG2 3.67Å; L202-I221 HydrophobicContact CB-CD1 3.8Å; L202-I221 HydrophobicContact CB-CG1 4.49Å; L202-I221 HydrophobicContact CD1-CD1 4.3Å; L202-I221 HydrophobicContact CD2-CD1 3.84Å; L202-I221 HydrophobicContact CG-CD1 4.2Å; P219-I221 HydrophobicContact CG-CD1 4.37Å; P219-I221 HydrophobicContact CG-CG1 4.27Å; P219-I221 PolarHBondContact O-N 2.94Å
222	V	97.8	Very high	95.7	Very high	39 Å²	39	49 Å²	49	24%	0.236	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	126.8	-174.1	178.3	0	0	0	0	110.1	V25 K198	V25-V222 HydrophobicContact CG1-CG1 3.1Å; K198-V222 PolarHBondContact N-O 3.05Å
223	G	97.4	Very high	96	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	145.6	169	0	0	0	0	0	110.9	V25 S26 L28	V25-G223 CarbonylContact C-O 3.59Å; V25-G223 WeakPolarHBondContact CA-O 3.19Å; S26-G223 PolarHBondContact N-O 2.93Å; S26-G223 PolarHBondContact O-N 3.23Å; L28-G223 VanDerWaalsContact CD1-N 3.33Å
224	E	97.1	Very high	96.1	Very high	37 Å²	37	43.2 Å²	43.2	17%	0.173	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	140.2	179.7	-172.3	179	131.3	0	0	109.1	S24 V25 R81 F195 Q196 K198	S24-E224 CarbonylContact O-C 3.31Å; S24-E224 WeakPolarHBondContact O-CA 2.99Å; V25-E224 HydrophobicContact CG2-CG 4.34Å; R81-E224 IonicContact CZ-OE1 2.65Å; R81-E224 IonicContact CZ-OE2 3.34Å; R81-E224 VanDerWaalsContact NH1-CD 3.27Å; R81-E224 IonicContact NH1-OE1 3.72Å; R81-E224 PolarHBondContact NH1-OE1 2.88Å; R81-E224 IonicContact NH1-OE2 2.99Å; R81-E224 PolarHBondContact NH1-OE2 3.43Å; R81-E224 VanDerWaalsContact NH1-OE2 3.15Å; R81-E224 IonicContact NH2-OE2 2.72Å; R81-E224 PolarHBondContact NH2-OE2 3.33Å; F195-E224 WeakPolarHBondContact CA-O 3.29Å; Q196-E224 PolarHBondContact N-O 2.93Å; Q196-E224 PolarHBondContact O-N 3.17Å; K198-E224 WeakPolarHBondContact CE-OE2 3.29Å; K198-E224 IonicContact NZ-OE2 3.72Å; K198-E224 PolarHBondContact NZ-OE2 3.44Å
225	S	97	Very high	96.1	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.014	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	108.8	175.4	174.7	0	0	0	0	108.6	S24 S194 Y227 G228 D229 A233	S24-S225 PolarHBondContact O-N 2.93Å; S194-S225 PolarHBondContact OG-OG 2.93Å; S225-Y227 PolarHBondContact O-N 3.43Å; S225-G228 PolarHBondContact O-N 2.81Å; S225-G228 VanDerWaalsContact O-N 3.14Å; S225-G228 VanDerWaalsContact O-O 3.09Å; S225-D229 PolarHBondContact OG-O 2.74Å; S225-A233 WeakPolarHBondContact OG-CB 3.47Å
226	V	94.8	Very high	96.2	Very high	28 Å²	28	38.2 Å²	38.2	17%	0.17	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-4.8	176.8	-62.4	0	0	0	0	112.8	Q187 F188 S194 Q196 G228	Q187-V226 HydrophobicContact CB-CB 4.08Å; Q187-V226 HydrophobicContact CB-CG1 4.36Å; Q187-V226 HydrophobicContact CB-CG2 3.78Å; F188-V226 HydrophobicContact CB-CG2 3.85Å; F188-V226 HydrophobicContact CD1-CB 4.31Å; F188-V226 HydrophobicContact CD1-CG2 3.75Å; F188-V226 WeakPolarHBondContact CD1-O 3.38Å; F188-V226 WeakPolarHBondContact CE1-O 3.29Å; F188-V226 HydrophobicContact CG-CG2 4.16Å; S194-V226 VanDerWaalsContact O-CG2 3.23Å; S194-V226 WeakPolarHBondContact O-CG2 3.42Å; S194-V226 PolarHBondContact O-N 3.49Å; Q196-V226 HydrophobicContact CG-CG1 4.35Å; V226-G228 VanDerWaalsContact C-N 3.27Å
227	Y	94.2	Very high	96.3	Very high	9 Å²	9	31.7 Å²	31.7	4%	0.035	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-22.3	168.2	172.5	-100.8	0	0	0	112.5	F188 S194 S225 E232 A233 C243 R245	F188-Y227 HydrophobicContact CD2-CD2 4.31Å; F188-Y227 AromaticContact CE2-CD2 3.63Å; F188-Y227 HydrophobicContact CE2-CD2 3.63Å; F188-Y227 HydrophobicContact CE2-CG 4.48Å; F188-Y227 HydrophobicContact CZ-CD2 4.03Å; S194-Y227 WeakPolarHBondContact OG-CB 3.39Å; S225-Y227 PolarHBondContact O-N 3.43Å; Y227-E232 HydrophobicContact CE1-CG 4.49Å; Y227-E232 PolarHBondContact OH-OE1 3.2Å; Y227-A233 HydrophobicContact CD1-CB 4.07Å; Y227-C243 PolarHBondContact OH-SG 3.06Å; Y227-R245 HydrophobicContact CD2-CG 4.32Å; Y227-R245 HydrophobicContact CE2-CB 4.1Å; Y227-R245 HydrophobicContact CE2-CG 3.54Å; Y227-R245 VanDerWaalsContact CZ-NE 3.29Å; Y227-R245 WeakPolarHBondContact O-CD 3.35Å; Y227-R245 PolarHBondContact O-NH1 3.07Å; Y227-R245 PolarHBondContact OH-NE 3.07Å
228	G	93.5	Very high	96.3	Very high	23 Å²	23	33.4 Å²	33.4	24%	0.237	19%	0.185	C	C	.	.	S	Bend	trans	123	-115.9	-171.4	0	0	0	0	0	109.6	S24 S225 V226 F230	S24-G228 WeakPolarHBondContact CA-O 3.41Å; S24-G228 WeakPolarHBondContact CB-O 3.37Å; S225-G228 PolarHBondContact O-N 2.81Å; S225-G228 VanDerWaalsContact O-N 3.14Å; S225-G228 VanDerWaalsContact O-O 3.09Å; V226-G228 VanDerWaalsContact C-N 3.27Å; G228-F230 PolarHBondContact O-N 2.88Å
229	D	95.9	Very high	96.3	Very high	49 Å²	49	36.2 Å²	36.2	26%	0.262	20%	0.198	S	C	.	.			trans	-63	126.9	-176.9	-169.9	-68.9	0	0	0	112	S225 G231 E232 A233	S225-D229 PolarHBondContact OG-O 2.74Å; D229-G231 WeakPolarHBondContact OD1-CA 3.49Å; D229-G231 PolarHBondContact OD1-N 3.26Å; D229-E232 HydrophobicContact CB-CB 3.9Å; D229-E232 PolarHBondContact OD1-N 3.37Å; D229-A233 WeakPolarHBondContact O-CB 3.47Å; D229-A233 PolarHBondContact O-N 2.96Å
230	F	97	Very high	96.3	Very high	7 Å²	7	38.5 Å²	38.5	3%	0.031	21%	0.206	C	C	.	.	H	α-helix	trans	-72.3	-41.3	-178.6	-171.4	-81.6	0	0	0	112.1	N23 L91 F195 G228 A233 L234	N23-F230 PolarHBondContact O-N 3.5Å; L91-F230 HydrophobicContact CD1-CE2 4.18Å; L91-F230 HydrophobicContact CD1-CZ 3.73Å; L91-F230 HydrophobicContact CD2-CZ 3.92Å; L91-F230 HydrophobicContact CG-CZ 4.49Å; F195-F230 HydrophobicContact CD1-CD2 4.29Å; F195-F230 AromaticContact CD1-CE2 3.84Å; F195-F230 HydrophobicContact CD1-CE2 3.84Å; F195-F230 HydrophobicContact CD1-CZ 4.26Å; F195-F230 HydrophobicContact CE1-CD2 4.39Å; F195-F230 HydrophobicContact CE1-CE2 4.17Å; F195-F230 HydrophobicContact CE1-CZ 4.34Å; G228-F230 PolarHBondContact O-N 2.88Å; F230-A233 PolarHBondContact O-N 2.95Å; F230-L234 HydrophobicContact CE1-CB 4.5Å; F230-L234 HydrophobicContact CE1-CD2 4.1Å; F230-L234 VanDerWaalsContact O-CB 3.26Å; F230-L234 WeakPolarHBondContact O-CB 3.47Å; F230-L234 PolarHBondContact O-N 3.36Å
231	G	96.6	Very high	96.3	Very high	44 Å²	44	36 Å²	36	45%	0.454	19%	0.189	S	C	.	.	H	α-helix	trans	-64.4	-44.3	-179.6	0	0	0	0	0	111.5	D229 L234 D235	D229-G231 WeakPolarHBondContact OD1-CA 3.49Å; D229-G231 PolarHBondContact OD1-N 3.26Å; G231-L234 PolarHBondContact O-N 3.19Å; G231-D235 WeakPolarHBondContact O-CB 3.43Å; G231-D235 PolarHBondContact O-N 2.99Å
232	E	96.5	Very high	96.2	Very high	67 Å²	67	36.1 Å²	36.1	31%	0.313	19%	0.189	S	C	.	.	H	α-helix	trans	-62	-49.1	175.9	-171.8	-172.1	158.8	0	0	111.7	Y227 D229 L234 D235 H236 R245	Y227-E232 HydrophobicContact CE1-CG 4.49Å; Y227-E232 PolarHBondContact OH-OE1 3.2Å; D229-E232 HydrophobicContact CB-CB 3.9Å; D229-E232 PolarHBondContact OD1-N 3.37Å; E232-L234 VanDerWaalsContact C-N 3.27Å; E232-L234 PolarHBondContact O-N 2.91Å; E232-D235 WeakPolarHBondContact O-CB 3.16Å; E232-D235 PolarHBondContact O-N 3Å; E232-H236 PolarHBondContact O-N 3.38Å; E232-H236 IonicContact OE1-CE1 3.15Å; E232-H236 PolarHBondContact OE1-CE1 3.14Å; E232-R245 IonicContact OE1-NH2 3.19Å; E232-R245 IonicContact OE2-CZ 3.31Å; E232-R245 IonicContact OE2-NH2 3.94Å; E232-R245 PolarHBondContact OE2-NH2 2.92Å
233	A	96.5	Very high	96.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.9	-39.4	177.4	0	0	0	0	0	111.6	F195 S225 Y227 D229 F230 D235 H236 L237	F195-A233 HydrophobicContact CE1-CB 3.81Å; F195-A233 VanDerWaalsContact CZ-C 3.49Å; F195-A233 HydrophobicContact CZ-CB 3.69Å; S225-A233 WeakPolarHBondContact OG-CB 3.47Å; Y227-A233 HydrophobicContact CD1-CB 4.07Å; D229-A233 WeakPolarHBondContact O-CB 3.47Å; D229-A233 PolarHBondContact O-N 2.96Å; F230-A233 PolarHBondContact O-N 2.95Å; A233-D235 VanDerWaalsContact C-N 3.34Å; A233-H236 WeakPolarHBondContact O-CB 3.46Å; A233-H236 PolarHBondContact O-N 2.89Å; A233-L237 PolarHBondContact O-N 3.21Å
234	L	96.4	Very high	95.9	Very high	15 Å²	15	36.5 Å²	36.5	8%	0.079	19%	0.192	C	C	.	.	H	α-helix	trans	-67.8	-36.2	178	-175.8	61.8	0	0	0	111.7	L91 F195 F230 G231 E232 L237 R238	L91-L234 HydrophobicContact CB-CD1 4.07Å; F195-L234 HydrophobicContact CE1-CB 4.48Å; F195-L234 HydrophobicContact CZ-CB 4.37Å; F230-L234 HydrophobicContact CE1-CB 4.5Å; F230-L234 HydrophobicContact CE1-CD2 4.1Å; F230-L234 VanDerWaalsContact O-CB 3.26Å; F230-L234 WeakPolarHBondContact O-CB 3.47Å; F230-L234 PolarHBondContact O-N 3.36Å; G231-L234 PolarHBondContact O-N 3.19Å; E232-L234 VanDerWaalsContact C-N 3.27Å; E232-L234 PolarHBondContact O-N 2.91Å; L234-L237 HydrophobicContact CD1-CD2 4.42Å; L234-L237 PolarHBondContact O-N 3.41Å; L234-R238 WeakPolarHBondContact O-CG 3.5Å; L234-R238 PolarHBondContact O-N 2.8Å
235	D	96.7	Very high	95.5	Very high	64 Å²	64	40.3 Å²	40.3	34%	0.342	21%	0.205	S	C	.	.	H	α-helix	trans	-63.7	-44.9	172.8	-165.5	74.5	0	0	0	111.3	G231 E232 A233 L237 R238 H239	G231-D235 WeakPolarHBondContact O-CB 3.43Å; G231-D235 PolarHBondContact O-N 2.99Å; E232-D235 WeakPolarHBondContact O-CB 3.16Å; E232-D235 PolarHBondContact O-N 3Å; A233-D235 VanDerWaalsContact C-N 3.34Å; D235-L237 VanDerWaalsContact C-N 3.27Å; D235-L237 PolarHBondContact O-N 2.93Å; D235-R238 PolarHBondContact O-N 3.34Å; D235-R238 VanDerWaalsContact O-N 3.15Å; D235-H239 PolarHBondContact O-N 3.27Å; D235-H239 PolarHBondContact O-ND1 3.39Å; D235-H239 IonicContact OD1-CE1 3.58Å; D235-H239 PolarHBondContact OD1-CE1 3Å; D235-H239 IonicContact OD1-ND1 3.62Å; D235-H239 PolarHBondContact OD1-ND1 3.29Å; D235-H239 IonicContact OD2-CE1 2.97Å; D235-H239 IonicContact OD2-ND1 3.46Å; D235-H239 PolarHBondContact OD2-ND1 3.18Å
236	H	96.6	Very high	95.1	Very high	17 Å²	17	42.7 Å²	42.7	8%	0.079	22%	0.218	C	C	.	.	H	α-helix	trans	-57.2	-40.8	173.2	-65.1	158.6	0	0	0	112.1	S191 V192 E232 A233 K240 I241	S191-H236 PolarHBondContact OG-ND1 2.93Å; V192-H236 HydrophobicContact CG1-CB 4.25Å; E232-H236 PolarHBondContact O-N 3.38Å; E232-H236 IonicContact OE1-CE1 3.15Å; E232-H236 PolarHBondContact OE1-CE1 3.14Å; A233-H236 WeakPolarHBondContact O-CB 3.46Å; A233-H236 PolarHBondContact O-N 2.89Å; H236-K240 CarbonylContact O-C 3.57Å; H236-K240 WeakPolarHBondContact O-CA 3.36Å; H236-K240 PolarHBondContact O-N 3.02Å; H236-I241 HydrophobicContact CB-CB 4.01Å; H236-I241 PolarHBondContact O-N 3.35Å
237	L	95.8	Very high	94.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.5	-40.9	177.4	-177.1	63.4	0	0	0	112.4	S88 H92 L97 V192 F195 A233 L234 D235	S88-L237 WeakPolarHBondContact O-CD2 3.49Å; H92-L237 HydrophobicContact CB-CD2 3.76Å; H92-L237 HydrophobicContact CB-CG 4.12Å; L97-L237 HydrophobicContact CD1-CD1 3.85Å; V192-L237 HydrophobicContact CB-CD1 4.18Å; F195-L237 HydrophobicContact CD2-CD2 4.43Å; F195-L237 HydrophobicContact CE2-CB 4.22Å; F195-L237 HydrophobicContact CE2-CD2 3.79Å; F195-L237 HydrophobicContact CZ-CB 4.48Å; F195-L237 HydrophobicContact CZ-CD2 4.41Å; A233-L237 PolarHBondContact O-N 3.21Å; L234-L237 HydrophobicContact CD1-CD2 4.42Å; L234-L237 PolarHBondContact O-N 3.41Å; D235-L237 VanDerWaalsContact C-N 3.27Å; D235-L237 PolarHBondContact O-N 2.93Å
238	R	95.3	Very high	94.6	Very high	129 Å²	129	47.7 Å²	47.7	49%	0.487	24%	0.244	S	C	.	.	H	α-helix	trans	-69.8	-42.3	179.5	-73.2	169.1	175.8	170.2	-1.7	112.5	L234 D235	L234-R238 WeakPolarHBondContact O-CG 3.5Å; L234-R238 PolarHBondContact O-N 2.8Å; D235-R238 PolarHBondContact O-N 3.34Å; D235-R238 VanDerWaalsContact O-N 3.15Å
239	H	95.8	Very high	94.4	Very high	120 Å²	120	48 Å²	48	56%	0.556	24%	0.239	S	C	*	.	H	α-helix	trans	-93.3	6.1	-177.5	-61.7	117.4	0	0	0	113.7	D235 I241	D235-H239 PolarHBondContact O-N 3.27Å; D235-H239 PolarHBondContact O-ND1 3.39Å; D235-H239 IonicContact OD1-CE1 3.58Å; D235-H239 PolarHBondContact OD1-CE1 3Å; D235-H239 IonicContact OD1-ND1 3.62Å; D235-H239 PolarHBondContact OD1-ND1 3.29Å; D235-H239 IonicContact OD2-CE1 2.97Å; D235-H239 IonicContact OD2-ND1 3.46Å; D235-H239 PolarHBondContact OD2-ND1 3.18Å; H239-I241 HydrophobicContact CB-CD1 3.87Å; H239-I241 HydrophobicContact CB-CG1 4.02Å
240	K	96.3	Very high	94.1	Very high	66 Å²	66	45.7 Å²	45.7	29%	0.287	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	52.4	180	-56	-174.2	175.6	-173	0	112.8	S95 H236 R264 F266 R267	S95-K240 WeakPolarHBondContact O-CE 3.12Å; H236-K240 CarbonylContact O-C 3.57Å; H236-K240 WeakPolarHBondContact O-CA 3.36Å; H236-K240 PolarHBondContact O-N 3.02Å; K240-R264 PolarHBondContact NZ-O 3.03Å; K240-F266 HydrophobicContact CB-CB 4.27Å; K240-F266 HydrophobicContact CB-CD1 3.7Å; K240-F266 HydrophobicContact CB-CD2 4.07Å; K240-F266 HydrophobicContact CB-CE1 3.91Å; K240-F266 HydrophobicContact CB-CE2 4.26Å; K240-F266 HydrophobicContact CB-CG 3.75Å; K240-F266 HydrophobicContact CB-CZ 4.18Å; K240-F266 HydrophobicContact CD-CD2 4.35Å; K240-F266 HydrophobicContact CD-CE2 4.23Å; K240-F266 HydrophobicContact CG-CD1 4.43Å; K240-F266 HydrophobicContact CG-CD2 4.34Å; K240-F266 HydrophobicContact CG-CE1 4.2Å; K240-F266 HydrophobicContact CG-CE2 4.11Å; K240-F266 HydrophobicContact CG-CG 4.47Å; K240-F266 HydrophobicContact CG-CZ 4.02Å; K240-F266 CarbonylContact O-C 3.54Å; K240-F266 WeakPolarHBondContact O-CA 3.28Å; K240-F266 WeakPolarHBondContact O-CB 3.47Å; K240-R267 PolarHBondContact O-N 3.41Å
241	I	96.9	Very high	93.9	Very high	40 Å²	40	50 Å²	50	21%	0.205	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	134.7	-179.3	-59.7	172	0	0	0	109.8	V192 H236 H239 R267 A269	V192-I241 VanDerWaalsContact CG1-O 3.28Å; V192-I241 WeakPolarHBondContact CG1-O 3.26Å; H236-I241 HydrophobicContact CB-CB 4.01Å; H236-I241 PolarHBondContact O-N 3.35Å; H239-I241 HydrophobicContact CB-CD1 3.87Å; H239-I241 HydrophobicContact CB-CG1 4.02Å; I241-R267 CarbonylContact C-O 3.59Å; I241-R267 WeakPolarHBondContact CA-O 3.38Å; I241-A269 HydrophobicContact CG2-CB 3.6Å
242	I	96.4	Very high	93.6	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	113	172.8	-50.6	-180	0	0	0	107.9	F190 Y258 L261 L262 F266 R267 A269 M274	F190-I242 HydrophobicContact CD1-CG2 3.52Å; F190-I242 HydrophobicContact CE1-CG2 3.67Å; F190-I242 HydrophobicContact CG-CG2 4.28Å; I242-Y258 HydrophobicContact CD1-CD2 3.94Å; I242-Y258 HydrophobicContact CD1-CE2 3.7Å; I242-Y258 HydrophobicContact CG2-CD2 4.04Å; I242-Y258 HydrophobicContact CG2-CE2 4.21Å; I242-L261 HydrophobicContact CD1-CB 3.71Å; I242-L261 HydrophobicContact CD1-CD1 4.35Å; I242-L261 HydrophobicContact CG1-CB 4.18Å; I242-L261 HydrophobicContact CG1-CD1 4.21Å; I242-L261 HydrophobicContact CG2-CD1 4.26Å; I242-L262 HydrophobicContact CD1-CD2 3.92Å; I242-L262 HydrophobicContact CD1-CG 4.34Å; I242-F266 HydrophobicContact CD1-CB 3.85Å; I242-F266 HydrophobicContact CG1-CB 3.57Å; I242-R267 PolarHBondContact N-O 3.45Å; I242-A269 PolarHBondContact O-N 2.9Å; I242-M274 HydrophobicContact CB-CE 4.11Å; I242-M274 HydrophobicContact CG2-CE 3.75Å
243	C	95	Very high	93.4	Very high	24 Å²	24	45.7 Å²	45.7	16%	0.162	22%	0.216	C	C	.	.			trans	-143.1	144.7	177.1	-170	0	0	0	0	110.6	F190 S191 Y227 A269	F190-C243 WeakPolarHBondContact CA-O 3.43Å; S191-C243 PolarHBondContact N-O 3.44Å; S191-C243 PolarHBondContact OG-O 3.12Å; Y227-C243 PolarHBondContact OH-SG 3.06Å; C243-A269 HydrophobicContact CB-CB 4.44Å
244	T	93.7	Very high	93.3	Very high	24 Å²	24	45.7 Å²	45.7	15%	0.147	22%	0.216	C	C	.	.			trans	-142.9	144.2	174.2	-170.3	0	0	0	0	109.2	E189 I250 L277	E189-T244 WeakPolarHBondContact O-CB 3.22Å; E189-T244 PolarHBondContact O-OG1 3.33Å; T244-I250 HydrophobicContact CG2-CD1 3.95Å; T244-L277 HydrophobicContact CG2-CD1 4.09Å; T244-L277 HydrophobicContact CG2-CD2 3.56Å; T244-L277 HydrophobicContact CG2-CG 4.48Å
245	R	89.3	Confident	93.4	Very high	117 Å²	117	45 Å²	45	44%	0.442	21%	0.213	S	C	.	.	S	Bend	trans	-100.2	-17.5	177.1	-77.3	168.5	-179.3	-160.4	-1.1	112.9	Y227 E232 P247	Y227-R245 HydrophobicContact CD2-CG 4.32Å; Y227-R245 HydrophobicContact CE2-CB 4.1Å; Y227-R245 HydrophobicContact CE2-CG 3.54Å; Y227-R245 VanDerWaalsContact CZ-NE 3.29Å; Y227-R245 WeakPolarHBondContact O-CD 3.35Å; Y227-R245 PolarHBondContact O-NH1 3.07Å; Y227-R245 PolarHBondContact OH-NE 3.07Å; E232-R245 IonicContact OE1-NH2 3.19Å; E232-R245 IonicContact OE2-CZ 3.31Å; E232-R245 IonicContact OE2-NH2 3.94Å; E232-R245 PolarHBondContact OE2-NH2 2.92Å; R245-P247 VanDerWaalsContact O-CD 3.26Å; R245-P247 WeakPolarHBondContact O-CD 3.39Å
246	N	88.4	Confident	93.4	Very high	52 Å²	52	42 Å²	42	28%	0.278	20%	0.197	S	C	.	.			trans	-123.7	63.8	-172.3	-68.7	81.4	0	0	0	110.8	F188 E248 E249	F188-N246 HydrophobicContact CZ-CB 4.41Å; N246-E248 VanDerWaalsContact C-OE2 3.31Å; N246-E248 WeakPolarHBondContact CA-OE1 2.95Å; N246-E248 WeakPolarHBondContact CA-OE2 3.22Å; N246-E248 WeakPolarHBondContact CB-OE1 3.4Å; N246-E248 PolarHBondContact ND2-OE1 3.2Å; N246-E248 PolarHBondContact O-N 3.46Å; N246-E249 HydrophobicContact CB-CB 4.27Å; N246-E249 HydrophobicContact CB-CG 4.13Å; N246-E249 PolarHBondContact O-N 2.93Å
247	P	90.4	Very high	93.3	Very high	48 Å²	48	43.7 Å²	43.7	31%	0.312	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-57	-32.2	-179.2	26.9	-36.8	0	0	0	112.4	R245 E249 I250 L277 Y280	R245-P247 VanDerWaalsContact O-CD 3.26Å; R245-P247 WeakPolarHBondContact O-CD 3.39Å; P247-E249 PolarHBondContact O-N 3.11Å; P247-I250 WeakPolarHBondContact O-CB 3.29Å; P247-I250 PolarHBondContact O-N 3.32Å; P247-L277 HydrophobicContact CB-CD1 3.5Å; P247-Y280 WeakPolarHBondContact O-CD1 3.33Å; P247-Y280 WeakPolarHBondContact O-CE1 3.12Å
248	E	88.4	Confident	93.3	Very high	94 Å²	94	44 Å²	44	44%	0.439	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-64.9	-18.2	178.5	72.3	-70.5	165.2	0	0	114.6	N246 Y280	N246-E248 VanDerWaalsContact C-OE2 3.31Å; N246-E248 WeakPolarHBondContact CA-OE1 2.95Å; N246-E248 WeakPolarHBondContact CA-OE2 3.22Å; N246-E248 WeakPolarHBondContact CB-OE1 3.4Å; N246-E248 PolarHBondContact ND2-OE1 3.2Å; N246-E248 PolarHBondContact O-N 3.46Å; E248-Y280 WeakPolarHBondContact CA-OH 3.33Å; E248-Y280 PolarHBondContact O-OH 2.88Å
249	E	88.3	Confident	93.4	Very high	28 Å²	28	37.8 Å²	37.8	13%	0.131	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-93	-14.4	179.2	-61.2	-153	144.4	0	0	113	R185 R186 N246 P247 R251	R185-E249 WeakPolarHBondContact CG-OE1 3.05Å; R185-E249 IonicContact CZ-OE1 3.24Å; R185-E249 IonicContact NH1-OE1 3.48Å; R185-E249 PolarHBondContact NH1-OE1 3.11Å; R186-E249 WeakPolarHBondContact CD-O 3.35Å; R186-E249 HydrophobicContact CG-CB 4.07Å; R186-E249 HydrophobicContact CG-CG 4.48Å; R186-E249 PolarHBondContact NE-O 2.97Å; R186-E249 VanDerWaalsContact NE-O 3.12Å; N246-E249 HydrophobicContact CB-CB 4.27Å; N246-E249 HydrophobicContact CB-CG 4.13Å; N246-E249 PolarHBondContact O-N 2.93Å; P247-E249 PolarHBondContact O-N 3.11Å; E249-R251 PolarHBondContact O-N 3.4Å
250	I	90.5	Very high	93.4	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	16%	0.16	C	C	.	.			trans	-66.4	128.8	178.2	-63.3	-177.3	0	0	0	110	F190 T244 P247 L277 Y280 M281 R284	F190-I250 HydrophobicContact CE1-CD1 4.37Å; F190-I250 HydrophobicContact CZ-CD1 4.43Å; T244-I250 HydrophobicContact CG2-CD1 3.95Å; P247-I250 WeakPolarHBondContact O-CB 3.29Å; P247-I250 PolarHBondContact O-N 3.32Å; I250-L277 HydrophobicContact CD1-CD1 4.19Å; I250-Y280 HydrophobicContact CB-CE1 4.41Å; I250-M281 HydrophobicContact CG2-CG 4.05Å; I250-R284 WeakPolarHBondContact O-CG 3.45Å
251	R	92.5	Very high	93.3	Very high	96 Å²	96	30.2 Å²	30.2	36%	0.362	15%	0.148	S	C	.	.			trans	-95.2	175.9	173.3	-67.1	-57.8	-158.7	-173.6	8.4	111.1	R186 E249 G253 G254 D288	R186-R251 VanDerWaalsContact CZ-CZ 3.5Å; E249-R251 PolarHBondContact O-N 3.4Å; R251-G253 PolarHBondContact O-N 3.49Å; R251-G254 PolarHBondContact O-N 2.84Å; R251-D288 WeakPolarHBondContact CB-OD2 3.44Å
252	G	89.8	Confident	93.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-30.7	-179.6	0	0	0	0	0	113.9	G254 L255 F285 D288	G252-G254 PolarHBondContact O-N 3.4Å; G252-L255 PolarHBondContact O-N 2.92Å; G252-F285 WeakPolarHBondContact O-CD2 3.3Å; G252-D288 PolarHBondContact N-OD2 2.99Å
253	G	92.9	Very high	93.1	Very high	21 Å²	21	31.8 Å²	31.8	22%	0.216	16%	0.157	C	C	.	.	H	α-helix	trans	-60.6	-26.3	173.3	0	0	0	0	0	114.5	R251 L255 L256 K257	R251-G253 PolarHBondContact O-N 3.49Å; G253-L255 VanDerWaalsContact C-N 3.28Å; G253-L255 PolarHBondContact O-N 3.31Å; G253-L256 WeakPolarHBondContact O-CB 3.41Å; G253-L256 PolarHBondContact O-N 2.96Å; G253-L256 VanDerWaalsContact O-N 3.08Å; G253-K257 PolarHBondContact O-N 3.49Å; G253-K257 VanDerWaalsContact O-N 3.11Å
254	G	95.1	Very high	93	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.7	-29.1	179.7	0	0	0	0	0	113.5	R251 G252 L256 K257 Y258	R251-G254 PolarHBondContact O-N 2.84Å; G252-G254 PolarHBondContact O-N 3.4Å; G254-L256 VanDerWaalsContact C-N 3.32Å; G254-L256 PolarHBondContact O-N 3.08Å; G254-K257 PolarHBondContact O-N 3.09Å; G254-Y258 VanDerWaalsContact O-CB 3.24Å; G254-Y258 WeakPolarHBondContact O-CB 3.5Å; G254-Y258 PolarHBondContact O-N 3.39Å
255	L	96.8	Very high	93	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-61.2	-43	171.8	177.8	61.7	0	0	0	111.4	G252 G253 Y258 C259 M281 F285 L321 V324 V325	G252-L255 PolarHBondContact O-N 2.92Å; G253-L255 VanDerWaalsContact C-N 3.28Å; G253-L255 PolarHBondContact O-N 3.31Å; L255-Y258 PolarHBondContact O-N 2.64Å; L255-C259 PolarHBondContact O-N 3.21Å; L255-C259 PolarHBondContact O-SG 2.81Å; L255-M281 HydrophobicContact CB-CB 4.1Å; L255-M281 HydrophobicContact CD1-CB 4.21Å; L255-F285 HydrophobicContact CB-CB 4.41Å; L255-F285 HydrophobicContact CD2-CB 3.81Å; L255-F285 HydrophobicContact CD2-CD1 4.34Å; L255-F285 HydrophobicContact CD2-CD2 4.14Å; L255-F285 HydrophobicContact CD2-CG 3.84Å; L255-L321 HydrophobicContact CD1-CD1 4.44Å; L255-L321 HydrophobicContact CD2-CD1 3.99Å; L255-L321 HydrophobicContact CG-CD1 3.89Å; L255-V324 HydrophobicContact CD1-CG1 3.75Å; L255-V325 HydrophobicContact CD2-CG2 4.1Å
256	L	96.7	Very high	93.3	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-66.3	-45.5	179.9	-55.4	-175.2	0	0	0	110.1	G253 G254 Y258 C259 H260 F285 K298 L299 Y302 Y317 L321	G253-L256 WeakPolarHBondContact O-CB 3.41Å; G253-L256 PolarHBondContact O-N 2.96Å; G253-L256 VanDerWaalsContact O-N 3.08Å; G254-L256 VanDerWaalsContact C-N 3.32Å; G254-L256 PolarHBondContact O-N 3.08Å; L256-Y258 PolarHBondContact O-N 3.31Å; L256-C259 PolarHBondContact O-N 3.02Å; L256-H260 WeakPolarHBondContact O-CB 3.4Å; L256-H260 PolarHBondContact O-N 3.45Å; L256-F285 HydrophobicContact CD2-CE2 4.02Å; L256-F285 HydrophobicContact CG-CE2 4.37Å; L256-K298 HydrophobicContact CD1-CG 4.06Å; L256-L299 HydrophobicContact CD1-CD2 4.44Å; L256-L299 HydrophobicContact CD2-CD2 3.53Å; L256-Y302 HydrophobicContact CB-CD1 4.43Å; L256-Y302 HydrophobicContact CB-CD2 3.93Å; L256-Y302 HydrophobicContact CB-CE1 4.25Å; L256-Y302 HydrophobicContact CB-CE2 3.72Å; L256-Y302 HydrophobicContact CB-CG 4.28Å; L256-Y302 HydrophobicContact CD1-CD2 3.81Å; L256-Y302 HydrophobicContact CD1-CE2 4.43Å; L256-Y302 HydrophobicContact CD1-CG 4.01Å; L256-Y302 PolarHBondContact O-OH 3.47Å; L256-Y317 WeakPolarHBondContact CA-OH 3.14Å; L256-Y317 WeakPolarHBondContact CB-OH 3.3Å; L256-Y317 WeakPolarHBondContact O-CE2 3.17Å; L256-Y317 PolarHBondContact O-OH 3.15Å; L256-L321 HydrophobicContact CD2-CD1 4.17Å; L256-L321 HydrophobicContact CD2-CD2 4.03Å
257	K	95.1	Very high	93.7	Very high	54 Å²	54	33.4 Å²	33.4	24%	0.235	17%	0.166	C	C	.	.	H	α-helix	trans	-62.7	-41.9	175.8	-169.7	175.3	-167.2	165.5	0	112.4	E189 F190 D193 G253 G254 C259 H260 L261	E189-K257 HydrophobicContact CB-CD 4.28Å; E189-K257 WeakPolarHBondContact OE2-CD 3.28Å; E189-K257 IonicContact OE2-NZ 3.33Å; F190-K257 HydrophobicContact CD2-CD 4Å; F190-K257 HydrophobicContact CD2-CG 4.25Å; F190-K257 HydrophobicContact CE2-CB 4.19Å; F190-K257 HydrophobicContact CE2-CD 4.12Å; F190-K257 HydrophobicContact CE2-CG 4.09Å; D193-K257 IonicContact OD1-NZ 2.71Å; D193-K257 PolarHBondContact OD1-NZ 3.38Å; D193-K257 IonicContact OD2-NZ 2.91Å; D193-K257 PolarHBondContact OD2-NZ 3.47Å; G253-K257 PolarHBondContact O-N 3.49Å; G253-K257 VanDerWaalsContact O-N 3.11Å; G254-K257 PolarHBondContact O-N 3.09Å; K257-C259 PolarHBondContact O-N 3.46Å; K257-H260 WeakPolarHBondContact O-CA 3.48Å; K257-H260 VanDerWaalsContact O-CB 3.3Å; K257-H260 WeakPolarHBondContact O-CB 3.47Å; K257-H260 PolarHBondContact O-N 3.47Å; K257-H260 VanDerWaalsContact O-N 3.11Å; K257-L261 WeakPolarHBondContact O-CG 3.28Å; K257-L261 PolarHBondContact O-N 3.26Å
258	Y	96.6	Very high	93.9	Very high	5 Å²	5	33 Å²	33	2%	0.02	16%	0.163	C	C	.	.	H	α-helix	trans	-56.2	-50.5	174.7	172.7	-107.5	0	0	0	111.8	F190 I242 G254 L255 L256 H260 L261 L262 M274 Q278 M281 V324	F190-Y258 HydrophobicContact CZ-CD2 4.45Å; I242-Y258 HydrophobicContact CD1-CD2 3.94Å; I242-Y258 HydrophobicContact CD1-CE2 3.7Å; I242-Y258 HydrophobicContact CG2-CD2 4.04Å; I242-Y258 HydrophobicContact CG2-CE2 4.21Å; G254-Y258 VanDerWaalsContact O-CB 3.24Å; G254-Y258 WeakPolarHBondContact O-CB 3.5Å; G254-Y258 PolarHBondContact O-N 3.39Å; L255-Y258 PolarHBondContact O-N 2.64Å; L256-Y258 PolarHBondContact O-N 3.31Å; Y258-H260 PolarHBondContact O-N 3.01Å; Y258-L261 WeakPolarHBondContact O-CB 3.48Å; Y258-L261 PolarHBondContact O-N 2.89Å; Y258-L262 HydrophobicContact CD1-CD1 4.17Å; Y258-L262 HydrophobicContact CE1-CD1 3.47Å; Y258-L262 VanDerWaalsContact CE1-CD1 3.47Å; Y258-L262 HydrophobicContact CE1-CG 4.1Å; Y258-L262 HydrophobicContact CE2-CD1 4.42Å; Y258-L262 HydrophobicContact CE2-CD2 4.24Å; Y258-L262 HydrophobicContact CE2-CG 4.21Å; Y258-L262 PolarHBondContact O-N 3.49Å; Y258-M274 HydrophobicContact CD2-CE 4.36Å; Y258-M274 HydrophobicContact CD2-SD 4.03Å; Y258-M274 HydrophobicContact CE2-CE 3.71Å; Y258-M274 HydrophobicContact CE2-CG 4.16Å; Y258-M274 HydrophobicContact CE2-SD 3.28Å; Y258-M274 WeakPolarHBondContact CE2-SD 3.43Å; Y258-M274 WeakPolarHBondContact OH-CG 3.49Å; Y258-Q278 HydrophobicContact CE1-CG 3.86Å; Y258-Q278 PolarHBondContact OH-NE2 3.09Å; Y258-M281 HydrophobicContact CD1-CE 3.92Å; Y258-M281 HydrophobicContact CD2-CE 3.91Å; Y258-M281 HydrophobicContact CE1-CE 4.48Å; Y258-M281 HydrophobicContact CE2-CE 4.48Å; Y258-M281 HydrophobicContact CG-CE 3.61Å; Y258-M281 HydrophobicContact CG-SD 4.18Å; Y258-V324 HydrophobicContact CE1-CG1 4.31Å; Y258-V324 HydrophobicContact CE1-CG2 3.99Å
259	C	97.2	Very high	94.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.8	-32	177.6	-61.4	0	0	0	0	111.9	L255 L256 K257 L262 V263 Y317 T320 L321	L255-C259 PolarHBondContact O-N 3.21Å; L255-C259 PolarHBondContact O-SG 2.81Å; L256-C259 PolarHBondContact O-N 3.02Å; K257-C259 PolarHBondContact O-N 3.46Å; C259-L262 PolarHBondContact O-N 2.85Å; C259-V263 PolarHBondContact O-N 3.39Å; C259-Y317 HydrophobicContact CB-CD2 4.14Å; C259-Y317 HydrophobicContact CB-CE2 3.68Å; C259-T320 HydrophobicContact CB-CG2 4.2Å; C259-L321 HydrophobicContact CB-CB 4.38Å
260	H	94.4	Very high	94.4	Very high	22 Å²	22	31.9 Å²	31.9	10%	0.102	17%	0.173	C	C	.	.	H	α-helix	trans	-68.2	-36	176.4	-168.9	-134.4	0	0	0	113	L256 K257 Y258 V263 R264 Y302 H306 F307 Y317	L256-H260 WeakPolarHBondContact O-CB 3.4Å; L256-H260 PolarHBondContact O-N 3.45Å; K257-H260 WeakPolarHBondContact O-CA 3.48Å; K257-H260 VanDerWaalsContact O-CB 3.3Å; K257-H260 WeakPolarHBondContact O-CB 3.47Å; K257-H260 PolarHBondContact O-N 3.47Å; K257-H260 VanDerWaalsContact O-N 3.11Å; Y258-H260 PolarHBondContact O-N 3.01Å; H260-V263 WeakPolarHBondContact O-CG2 3.47Å; H260-R264 PolarHBondContact CD2-NH1 3.45Å; H260-R264 PolarHBondContact CE1-NH1 3.36Å; H260-R264 VanDerWaalsContact CE1-NH1 3.34Å; H260-R264 VanDerWaalsContact NE2-CZ 3.27Å; H260-R264 PolarHBondContact NE2-NH1 2.78Å; H260-R264 PolarHBondContact NE2-NH2 3.16Å; H260-Y302 HydrophobicContact CB-CE1 4.34Å; H260-Y302 VanDerWaalsContact CB-OH 3.28Å; H260-Y302 WeakPolarHBondContact CB-OH 3.3Å; H260-H306 AromaticContact CE1-ND1 3.93Å; H260-F307 AromaticContact CD2-CE2 3.81Å; H260-F307 AromaticContact CD2-CZ 3.54Å; H260-F307 AromaticContact NE2-CZ 3.99Å; H260-Y317 HydrophobicContact CB-CD2 4.42Å; H260-Y317 HydrophobicContact CB-CE2 4.03Å
261	L	95.3	Very high	94.4	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.026	21%	0.209	C	C	.	.	H	α-helix	trans	-67.5	-44.7	172.3	-68.1	176.4	0	0	0	110.9	L97 F190 V192 I242 K257 Y258 V263 R264 G265 F266	L97-L261 HydrophobicContact CD2-CD2 3.6Å; F190-L261 HydrophobicContact CB-CD1 4.45Å; F190-L261 HydrophobicContact CD2-CD1 3.8Å; F190-L261 HydrophobicContact CE2-CD1 4.23Å; F190-L261 HydrophobicContact CG-CD1 4.04Å; V192-L261 HydrophobicContact CG2-CD1 4.09Å; V192-L261 HydrophobicContact CG2-CD2 4.04Å; I242-L261 HydrophobicContact CD1-CB 3.71Å; I242-L261 HydrophobicContact CD1-CD1 4.35Å; I242-L261 HydrophobicContact CG1-CB 4.18Å; I242-L261 HydrophobicContact CG1-CD1 4.21Å; I242-L261 HydrophobicContact CG2-CD1 4.26Å; K257-L261 WeakPolarHBondContact O-CG 3.28Å; K257-L261 PolarHBondContact O-N 3.26Å; Y258-L261 WeakPolarHBondContact O-CB 3.48Å; Y258-L261 PolarHBondContact O-N 2.89Å; L261-V263 PolarHBondContact O-N 2.84Å; L261-R264 WeakPolarHBondContact O-CA 3.24Å; L261-R264 PolarHBondContact O-N 2.86Å; L261-G265 PolarHBondContact O-N 2.93Å; L261-F266 HydrophobicContact CB-CB 3.97Å; L261-F266 HydrophobicContact CB-CD2 4.5Å; L261-F266 HydrophobicContact CB-CG 4.21Å; L261-F266 HydrophobicContact CD2-CD1 4.34Å; L261-F266 HydrophobicContact CD2-CD2 4.26Å; L261-F266 HydrophobicContact CD2-CE2 4.45Å; L261-F266 HydrophobicContact CD2-CG 4.24Å; L261-F266 WeakPolarHBondContact O-CB 3.45Å; L261-F266 WeakPolarHBondContact O-CD2 3.42Å; L261-F266 PolarHBondContact O-N 3.17Å; L261-F266 VanDerWaalsContact O-N 3.11Å
262	L	95.9	Very high	94.2	Very high	45 Å²	45	39 Å²	39	24%	0.236	22%	0.22	C	C	.	.	H	α-helix	trans	-56.4	-47.9	178.6	-72.6	-178.7	0	0	0	112.6	I242 Y258 C259 R264 G265 T320 V324	I242-L262 HydrophobicContact CD1-CD2 3.92Å; I242-L262 HydrophobicContact CD1-CG 4.34Å; Y258-L262 HydrophobicContact CD1-CD1 4.17Å; Y258-L262 HydrophobicContact CE1-CD1 3.47Å; Y258-L262 VanDerWaalsContact CE1-CD1 3.47Å; Y258-L262 HydrophobicContact CE1-CG 4.1Å; Y258-L262 HydrophobicContact CE2-CD1 4.42Å; Y258-L262 HydrophobicContact CE2-CD2 4.24Å; Y258-L262 HydrophobicContact CE2-CG 4.21Å; Y258-L262 PolarHBondContact O-N 3.49Å; C259-L262 PolarHBondContact O-N 2.85Å; L262-R264 PolarHBondContact O-N 3.09Å; L262-R264 VanDerWaalsContact O-N 3.14Å; L262-G265 PolarHBondContact O-N 2.82Å; L262-T320 HydrophobicContact CB-CG2 3.86Å; L262-T320 HydrophobicContact CD1-CG2 3.6Å; L262-T320 HydrophobicContact CG-CG2 4.42Å; L262-V324 HydrophobicContact CD1-CG2 4.22Å
263	V	93.9	Very high	94.3	Very high	29 Å²	29	45.6 Å²	45.6	18%	0.176	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-12.4	178.4	-63	0	0	0	0	114.1	C259 H260 L261 G265 D316 Y317 T320	C259-V263 PolarHBondContact O-N 3.39Å; H260-V263 WeakPolarHBondContact O-CG2 3.47Å; L261-V263 PolarHBondContact O-N 2.84Å; V263-G265 VanDerWaalsContact C-N 3.33Å; V263-D316 HydrophobicContact CG1-CB 4.4Å; V263-Y317 HydrophobicContact CG2-CD2 4.31Å; V263-T320 HydrophobicContact CG1-CG2 4.37Å; V263-T320 WeakPolarHBondContact CG1-OG1 3.25Å
264	R	91.7	Very high	94.2	Very high	21 Å²	21	45 Å²	45	8%	0.079	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	6.9	172.2	-74.3	179.1	168.6	62.8	-4.3	113.3	G96 K240 H260 L261 L262 F266	G96-R264 WeakPolarHBondContact O-CD 3.33Å; G96-R264 PolarHBondContact O-NE 3.26Å; K240-R264 PolarHBondContact NZ-O 3.03Å; H260-R264 PolarHBondContact CD2-NH1 3.45Å; H260-R264 PolarHBondContact CE1-NH1 3.36Å; H260-R264 VanDerWaalsContact CE1-NH1 3.34Å; H260-R264 VanDerWaalsContact NE2-CZ 3.27Å; H260-R264 PolarHBondContact NE2-NH1 2.78Å; H260-R264 PolarHBondContact NE2-NH2 3.16Å; L261-R264 WeakPolarHBondContact O-CA 3.24Å; L261-R264 PolarHBondContact O-N 2.86Å; L262-R264 PolarHBondContact O-N 3.09Å; L262-R264 VanDerWaalsContact O-N 3.14Å; R264-F266 HydrophobicContact CB-CD2 3.92Å; R264-F266 HydrophobicContact CB-CE2 4.09Å
265	G	93.7	Very high	94.1	Very high	41 Å²	41	49.3 Å²	49.3	42%	0.423	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	15	177.7	0	0	0	0	0	113.7	L261 L262 V263	L261-G265 PolarHBondContact O-N 2.93Å; L262-G265 PolarHBondContact O-N 2.82Å; V263-G265 VanDerWaalsContact C-N 3.33Å
266	F	96.2	Very high	93.9	Very high	3 Å²	3	52.1 Å²	52.1	1%	0.013	28%	0.281	C	S	.	.			trans	-74	146.7	170.9	-70.1	-112.2	0	0	0	110.5	L97 V192 K240 I242 L261 R264	L97-F266 HydrophobicContact CD1-CE1 4.46Å; L97-F266 HydrophobicContact CD1-CE2 4.46Å; L97-F266 HydrophobicContact CD1-CZ 3.79Å; L97-F266 HydrophobicContact CD2-CD2 4.41Å; L97-F266 HydrophobicContact CD2-CE2 3.56Å; L97-F266 HydrophobicContact CD2-CZ 3.73Å; L97-F266 HydrophobicContact CG-CE2 3.88Å; L97-F266 HydrophobicContact CG-CZ 3.67Å; V192-F266 HydrophobicContact CB-CE1 4.28Å; V192-F266 HydrophobicContact CG1-CD1 4.22Å; V192-F266 HydrophobicContact CG1-CE1 3.83Å; V192-F266 HydrophobicContact CG2-CE1 4.46Å; K240-F266 HydrophobicContact CB-CB 4.27Å; K240-F266 HydrophobicContact CB-CD1 3.7Å; K240-F266 HydrophobicContact CB-CD2 4.07Å; K240-F266 HydrophobicContact CB-CE1 3.91Å; K240-F266 HydrophobicContact CB-CE2 4.26Å; K240-F266 HydrophobicContact CB-CG 3.75Å; K240-F266 HydrophobicContact CB-CZ 4.18Å; K240-F266 HydrophobicContact CD-CD2 4.35Å; K240-F266 HydrophobicContact CD-CE2 4.23Å; K240-F266 HydrophobicContact CG-CD1 4.43Å; K240-F266 HydrophobicContact CG-CD2 4.34Å; K240-F266 HydrophobicContact CG-CE1 4.2Å; K240-F266 HydrophobicContact CG-CE2 4.11Å; K240-F266 HydrophobicContact CG-CG 4.47Å; K240-F266 HydrophobicContact CG-CZ 4.02Å; K240-F266 CarbonylContact O-C 3.54Å; K240-F266 WeakPolarHBondContact O-CA 3.28Å; K240-F266 WeakPolarHBondContact O-CB 3.47Å; I242-F266 HydrophobicContact CD1-CB 3.85Å; I242-F266 HydrophobicContact CG1-CB 3.57Å; L261-F266 HydrophobicContact CB-CB 3.97Å; L261-F266 HydrophobicContact CB-CD2 4.5Å; L261-F266 HydrophobicContact CB-CG 4.21Å; L261-F266 HydrophobicContact CD2-CD1 4.34Å; L261-F266 HydrophobicContact CD2-CD2 4.26Å; L261-F266 HydrophobicContact CD2-CE2 4.45Å; L261-F266 HydrophobicContact CD2-CG 4.24Å; L261-F266 WeakPolarHBondContact O-CB 3.45Å; L261-F266 WeakPolarHBondContact O-CD2 3.42Å; L261-F266 PolarHBondContact O-N 3.17Å; L261-F266 VanDerWaalsContact O-N 3.11Å; R264-F266 HydrophobicContact CB-CD2 3.92Å; R264-F266 HydrophobicContact CB-CE2 4.09Å
267	R	96.2	Very high	93.8	Very high	186 Å²	186	53 Å²	53	70%	0.702	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.1	145.1	-176	-62.3	-179.2	-175	-100.4	-0.8	110.6	K240 I241 I242	K240-R267 PolarHBondContact O-N 3.41Å; I241-R267 CarbonylContact C-O 3.59Å; I241-R267 WeakPolarHBondContact CA-O 3.38Å; I242-R267 PolarHBondContact N-O 3.45Å
268	P	95.8	Very high	93.8	Very high	39 Å²	39	51.1 Å²	51.1	25%	0.253	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	143.9	174.4	26.2	-33.9	0	0	0	111.6	S270 M274	P268-S270 VanDerWaalsContact C-N 3.28Å; P268-S270 PolarHBondContact O-N 3.38Å; P268-M274 HydrophobicContact CB-CB 3.56Å; P268-M274 HydrophobicContact CB-CE 3.65Å; P268-M274 HydrophobicContact CB-CG 3.67Å; P268-M274 HydrophobicContact CB-SD 4.48Å; P268-M274 HydrophobicContact CG-CB 4.22Å; P268-M274 HydrophobicContact CG-CG 4.17Å
269	A	93.1	Very high	93.6	Very high	64 Å²	64	56.9 Å²	56.9	53%	0.529	30%	0.299	S	S	.	.	S	Bend	trans	-62.2	-37.7	171.2	0	0	0	0	0	112	I241 I242 C243	I241-A269 HydrophobicContact CG2-CB 3.6Å; I242-A269 PolarHBondContact O-N 2.9Å; C243-A269 HydrophobicContact CB-CB 4.44Å
270	S	92.8	Very high	93.5	Very high	35 Å²	35	60.6 Å²	60.6	25%	0.245	31%	0.314	C	S	.	.			trans	-138.8	124	179.8	170.8	0	0	0	0	110.4	P268 S272 M274	P268-S270 VanDerWaalsContact C-N 3.28Å; P268-S270 PolarHBondContact O-N 3.38Å; S270-S272 PolarHBondContact O-N 2.95Å; S270-S272 PolarHBondContact OG-OG 2.69Å; S270-M274 WeakPolarHBondContact O-CB 3.42Å; S270-M274 PolarHBondContact O-N 3.22Å
271	E	90.4	Very high	93.6	Very high	162 Å²	162	59.6 Å²	59.6	76%	0.757	31%	0.309	S	S	*	.	H	α-helix	trans	-65.2	-38.5	-180	-68.4	-168.7	169.1	0	0	112.4	M274 K275	E271-M274 PolarHBondContact O-N 3.18Å; E271-K275 WeakPolarHBondContact O-CG 3.48Å; E271-K275 PolarHBondContact O-N 3.12Å
272	S	89.6	Confident	93.6	Very high	87 Å²	87	59.4 Å²	59.4	61%	0.608	31%	0.308	S	S	*	.	H	α-helix	trans	-67.8	-44.8	-178.3	56.5	0	0	0	0	112.1	S270 K275 S276	S270-S272 PolarHBondContact O-N 2.95Å; S270-S272 PolarHBondContact OG-OG 2.69Å; S272-K275 PolarHBondContact O-N 2.63Å; S272-S276 PolarHBondContact O-N 3.29Å
273	E	90.3	Very high	93.4	Very high	137 Å²	137	58.9 Å²	58.9	64%	0.64	31%	0.308	S	S	*	.	H	α-helix	trans	-67.4	-40.6	176.9	-67.8	176.9	177.1	0	0	110.6	K275 S276 L277	E273-K275 VanDerWaalsContact C-N 3.31Å; E273-K275 PolarHBondContact O-N 3.05Å; E273-S276 WeakPolarHBondContact O-CB 3.36Å; E273-S276 PolarHBondContact O-N 2.82Å; E273-S276 VanDerWaalsContact O-N 3.09Å; E273-L277 PolarHBondContact O-N 3.44Å
274	M	92.4	Very high	93.5	Very high	10 Å²	10	60.1 Å²	60.1	5%	0.049	31%	0.31	C	S	.	.	H	α-helix	trans	-61.9	-37.6	178.1	-174.2	55.3	65.2	0	0	112.3	I242 Y258 P268 S270 E271 S276 L277 Q278 M281	I242-M274 HydrophobicContact CB-CE 4.11Å; I242-M274 HydrophobicContact CG2-CE 3.75Å; Y258-M274 HydrophobicContact CD2-CE 4.36Å; Y258-M274 HydrophobicContact CD2-SD 4.03Å; Y258-M274 HydrophobicContact CE2-CE 3.71Å; Y258-M274 HydrophobicContact CE2-CG 4.16Å; Y258-M274 HydrophobicContact CE2-SD 3.28Å; Y258-M274 WeakPolarHBondContact CE2-SD 3.43Å; Y258-M274 WeakPolarHBondContact OH-CG 3.49Å; P268-M274 HydrophobicContact CB-CB 3.56Å; P268-M274 HydrophobicContact CB-CE 3.65Å; P268-M274 HydrophobicContact CB-CG 3.67Å; P268-M274 HydrophobicContact CB-SD 4.48Å; P268-M274 HydrophobicContact CG-CB 4.22Å; P268-M274 HydrophobicContact CG-CG 4.17Å; S270-M274 WeakPolarHBondContact O-CB 3.42Å; S270-M274 PolarHBondContact O-N 3.22Å; E271-M274 PolarHBondContact O-N 3.18Å; M274-S276 VanDerWaalsContact C-N 3.29Å; M274-S276 PolarHBondContact O-N 2.96Å; M274-L277 HydrophobicContact CE-CD2 4.06Å; M274-L277 PolarHBondContact O-N 3.04Å; M274-L277 VanDerWaalsContact O-N 3.16Å; M274-L277 HydrophobicContact SD-CB 4.18Å; M274-L277 HydrophobicContact SD-CD2 4Å; M274-Q278 HydrophobicContact CG-CG 4.22Å; M274-Q278 WeakPolarHBondContact O-CB 2.91Å; M274-Q278 VanDerWaalsContact O-CG 3.3Å; M274-Q278 WeakPolarHBondContact O-CG 3.46Å; M274-Q278 PolarHBondContact O-N 3.4Å; M274-Q278 HydrophobicContact SD-CG 4.24Å; M274-M281 HydrophobicContact SD-CE 4.26Å
275	K	92.8	Very high	93.7	Very high	90 Å²	90	59.3 Å²	59.3	39%	0.391	31%	0.307	S	S	.	.	H	α-helix	trans	-62.8	-35.5	175.2	-76.9	-71.6	-179	-176.5	0	112.4	E271 S272 E273 R279 E327	E271-K275 WeakPolarHBondContact O-CG 3.48Å; E271-K275 PolarHBondContact O-N 3.12Å; S272-K275 PolarHBondContact O-N 2.63Å; E273-K275 VanDerWaalsContact C-N 3.31Å; E273-K275 PolarHBondContact O-N 3.05Å; K275-R279 WeakPolarHBondContact O-CG 3.49Å; K275-R279 PolarHBondContact O-N 2.75Å; K275-R279 PolarHBondContact O-NE 3.04Å; K275-E327 IonicContact NZ-OE2 2.74Å; K275-E327 PolarHBondContact NZ-OE2 3.05Å
276	S	92.6	Very high	93.7	Very high	60 Å²	60	57.9 Å²	57.9	42%	0.42	29%	0.289	S	S	.	.	H	α-helix	trans	-69	-41.8	171.5	-74.8	0	0	0	0	112	S272 E273 M274 R279 Y280	S272-S276 PolarHBondContact O-N 3.29Å; E273-S276 WeakPolarHBondContact O-CB 3.36Å; E273-S276 PolarHBondContact O-N 2.82Å; E273-S276 VanDerWaalsContact O-N 3.09Å; M274-S276 VanDerWaalsContact C-N 3.29Å; M274-S276 PolarHBondContact O-N 2.96Å; S276-R279 PolarHBondContact O-N 3.28Å; S276-R279 PolarHBondContact OG-NH2 3.42Å; S276-Y280 PolarHBondContact O-N 2.89Å; S276-Y280 VanDerWaalsContact O-N 3.1Å
277	L	93.6	Very high	93.5	Very high	17 Å²	17	62.6 Å²	62.6	9%	0.089	31%	0.314	C	S	.	.	H	α-helix	trans	-64	-41	177.4	-169.1	61.4	0	0	0	112.6	F190 T244 P247 I250 E273 M274 R279 Y280 M281	F190-L277 HydrophobicContact CE1-CD2 4.38Å; T244-L277 HydrophobicContact CG2-CD1 4.09Å; T244-L277 HydrophobicContact CG2-CD2 3.56Å; T244-L277 HydrophobicContact CG2-CG 4.48Å; P247-L277 HydrophobicContact CB-CD1 3.5Å; I250-L277 HydrophobicContact CD1-CD1 4.19Å; E273-L277 PolarHBondContact O-N 3.44Å; M274-L277 HydrophobicContact CE-CD2 4.06Å; M274-L277 PolarHBondContact O-N 3.04Å; M274-L277 VanDerWaalsContact O-N 3.16Å; M274-L277 HydrophobicContact SD-CB 4.18Å; M274-L277 HydrophobicContact SD-CD2 4Å; L277-R279 VanDerWaalsContact C-N 3.34Å; L277-R279 PolarHBondContact O-N 2.78Å; L277-Y280 WeakPolarHBondContact O-CB 3.49Å; L277-Y280 PolarHBondContact O-N 3.21Å; L277-M281 HydrophobicContact CB-CE 4.29Å; L277-M281 HydrophobicContact CD2-CE 4Å; L277-M281 HydrophobicContact CG-CE 3.64Å; L277-M281 HydrophobicContact CG-CG 4.41Å; L277-M281 HydrophobicContact CG-SD 4.34Å; L277-M281 WeakPolarHBondContact O-CB 3.47Å; L277-M281 WeakPolarHBondContact O-CG 3.44Å; L277-M281 PolarHBondContact O-N 3.42Å
278	Q	94.9	Very high	93.5	Very high	15 Å²	15	56 Å²	56	7%	0.07	29%	0.292	C	S	.	.	H	α-helix	trans	-60	-44.3	176.2	-74.2	177.5	12.1	0	0	111.4	Y258 M274 Y280 M281 C282 V324 S328	Y258-Q278 HydrophobicContact CE1-CG 3.86Å; Y258-Q278 PolarHBondContact OH-NE2 3.09Å; M274-Q278 HydrophobicContact CG-CG 4.22Å; M274-Q278 WeakPolarHBondContact O-CB 2.91Å; M274-Q278 VanDerWaalsContact O-CG 3.3Å; M274-Q278 WeakPolarHBondContact O-CG 3.46Å; M274-Q278 PolarHBondContact O-N 3.4Å; M274-Q278 HydrophobicContact SD-CG 4.24Å; Q278-Y280 VanDerWaalsContact C-N 3.31Å; Q278-Y280 PolarHBondContact O-N 3.22Å; Q278-M281 HydrophobicContact CG-CE 4.34Å; Q278-M281 PolarHBondContact O-N 3.34Å; Q278-C282 WeakPolarHBondContact O-CB 3.48Å; Q278-C282 PolarHBondContact O-N 3.37Å; Q278-C282 PolarHBondContact O-SG 3.37Å; Q278-C282 VanDerWaalsContact O-SG 3.33Å; Q278-V324 HydrophobicContact CB-CG1 4.35Å; Q278-V324 HydrophobicContact CG-CG1 4.13Å; Q278-S328 WeakPolarHBondContact CB-OG 3.47Å; Q278-S328 PolarHBondContact OE1-OG 3.06Å
279	R	93.7	Very high	93.4	Very high	126 Å²	126	55.9 Å²	55.9	48%	0.475	29%	0.288	S	S	.	.	H	α-helix	trans	-58.6	-44.9	174.7	-70.6	-177.2	-70.1	177.3	0.9	111.3	K275 S276 L277 C282 S283 S328	K275-R279 WeakPolarHBondContact O-CG 3.49Å; K275-R279 PolarHBondContact O-N 2.75Å; K275-R279 PolarHBondContact O-NE 3.04Å; S276-R279 PolarHBondContact O-N 3.28Å; S276-R279 PolarHBondContact OG-NH2 3.42Å; L277-R279 VanDerWaalsContact C-N 3.34Å; L277-R279 PolarHBondContact O-N 2.78Å; R279-C282 PolarHBondContact O-N 2.99Å; R279-S283 WeakPolarHBondContact O-CB 3.32Å; R279-S283 PolarHBondContact O-N 3.49Å; R279-S283 PolarHBondContact O-OG 2.87Å; R279-S328 WeakPolarHBondContact CA-O 3.43Å; R279-S328 WeakPolarHBondContact CG-O 3.43Å
280	Y	94.3	Very high	93.4	Very high	79 Å²	79	57.3 Å²	57.3	31%	0.31	29%	0.292	S	S	.	.	H	α-helix	trans	-61.2	-49.2	176.2	-177.4	-87.8	0	0	0	112	P247 E248 I250 S276 L277 Q278 C282 S283 R284	P247-Y280 WeakPolarHBondContact O-CD1 3.33Å; P247-Y280 WeakPolarHBondContact O-CE1 3.12Å; E248-Y280 WeakPolarHBondContact CA-OH 3.33Å; E248-Y280 PolarHBondContact O-OH 2.88Å; I250-Y280 HydrophobicContact CB-CE1 4.41Å; S276-Y280 PolarHBondContact O-N 2.89Å; S276-Y280 VanDerWaalsContact O-N 3.1Å; L277-Y280 WeakPolarHBondContact O-CB 3.49Å; L277-Y280 PolarHBondContact O-N 3.21Å; Q278-Y280 VanDerWaalsContact C-N 3.31Å; Q278-Y280 PolarHBondContact O-N 3.22Å; Y280-C282 PolarHBondContact O-N 2.92Å; Y280-S283 PolarHBondContact O-N 3.49Å; Y280-R284 HydrophobicContact CE1-CB 4.31Å; Y280-R284 WeakPolarHBondContact O-CB 3.39Å; Y280-R284 PolarHBondContact O-N 3.39Å
281	M	95.8	Very high	93.5	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-60.9	-42.4	179.2	-73	-172.1	-76.3	0	0	112	F190 I250 L255 Y258 M274 L277 Q278 R284 F285	F190-M281 HydrophobicContact CZ-SD 4.08Å; I250-M281 HydrophobicContact CG2-CG 4.05Å; L255-M281 HydrophobicContact CB-CB 4.1Å; L255-M281 HydrophobicContact CD1-CB 4.21Å; Y258-M281 HydrophobicContact CD1-CE 3.92Å; Y258-M281 HydrophobicContact CD2-CE 3.91Å; Y258-M281 HydrophobicContact CE1-CE 4.48Å; Y258-M281 HydrophobicContact CE2-CE 4.48Å; Y258-M281 HydrophobicContact CG-CE 3.61Å; Y258-M281 HydrophobicContact CG-SD 4.18Å; M274-M281 HydrophobicContact SD-CE 4.26Å; L277-M281 HydrophobicContact CB-CE 4.29Å; L277-M281 HydrophobicContact CD2-CE 4Å; L277-M281 HydrophobicContact CG-CE 3.64Å; L277-M281 HydrophobicContact CG-CG 4.41Å; L277-M281 HydrophobicContact CG-SD 4.34Å; L277-M281 WeakPolarHBondContact O-CB 3.47Å; L277-M281 WeakPolarHBondContact O-CG 3.44Å; L277-M281 PolarHBondContact O-N 3.42Å; Q278-M281 HydrophobicContact CG-CE 4.34Å; Q278-M281 PolarHBondContact O-N 3.34Å; M281-R284 PolarHBondContact O-N 3.33Å; M281-F285 WeakPolarHBondContact O-CB 3.34Å; M281-F285 PolarHBondContact O-N 2.85Å
282	C	95.3	Very high	93.7	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.007	28%	0.278	C	S	.	.	H	α-helix	trans	-62.4	-49.3	174.1	-71.4	0	0	0	0	111.6	Q278 R279 Y280 R284 F285 F286	Q278-C282 WeakPolarHBondContact O-CB 3.48Å; Q278-C282 PolarHBondContact O-N 3.37Å; Q278-C282 PolarHBondContact O-SG 3.37Å; Q278-C282 VanDerWaalsContact O-SG 3.33Å; R279-C282 PolarHBondContact O-N 2.99Å; Y280-C282 PolarHBondContact O-N 2.92Å; C282-R284 VanDerWaalsContact C-N 3.33Å; C282-R284 PolarHBondContact O-N 2.83Å; C282-F285 WeakPolarHBondContact O-CB 3.26Å; C282-F285 PolarHBondContact O-N 2.71Å; C282-F286 WeakPolarHBondContact O-CD2 3.41Å; C282-F286 PolarHBondContact O-N 3.21Å; C282-F286 VanDerWaalsContact O-N 3.15Å
283	S	93.4	Very high	94	Very high	34 Å²	34	51.4 Å²	51.4	24%	0.238	26%	0.26	C	S	.	.	H	α-helix	trans	-58.7	-44.2	176.1	-72.6	0	0	0	0	112.1	R279 Y280 F285 F286 I287	R279-S283 WeakPolarHBondContact O-CB 3.32Å; R279-S283 PolarHBondContact O-N 3.49Å; R279-S283 PolarHBondContact O-OG 2.87Å; Y280-S283 PolarHBondContact O-N 3.49Å; S283-F285 VanDerWaalsContact C-N 3.33Å; S283-F285 PolarHBondContact O-N 2.91Å; S283-F286 PolarHBondContact O-N 3.4Å; S283-I287 WeakPolarHBondContact O-CD1 3.37Å; S283-I287 VanDerWaalsContact O-CG1 3.25Å; S283-I287 WeakPolarHBondContact O-CG1 3.33Å; S283-I287 PolarHBondContact O-N 3.03Å
284	R	94.8	Very high	94.3	Very high	56 Å²	56	48.4 Å²	48.4	21%	0.211	25%	0.246	C	C	.	.	H	α-helix	trans	-66.8	-35	178.7	-162.3	73.7	-141.8	167.3	7.8	112.4	I250 Y280 M281 C282 I287 D288	I250-R284 WeakPolarHBondContact O-CG 3.45Å; Y280-R284 HydrophobicContact CE1-CB 4.31Å; Y280-R284 WeakPolarHBondContact O-CB 3.39Å; Y280-R284 PolarHBondContact O-N 3.39Å; M281-R284 PolarHBondContact O-N 3.33Å; C282-R284 VanDerWaalsContact C-N 3.33Å; C282-R284 PolarHBondContact O-N 2.83Å; R284-I287 PolarHBondContact O-N 2.78Å; R284-D288 IonicContact CZ-OD1 3.69Å; R284-D288 VanDerWaalsContact CZ-OD1 3.24Å; R284-D288 IonicContact NE-OD1 2.94Å; R284-D288 PolarHBondContact NE-OD1 3.22Å; R284-D288 IonicContact NE-OD2 2.99Å; R284-D288 PolarHBondContact NE-OD2 3.13Å; R284-D288 IonicContact NH2-OD1 2.6Å; R284-D288 PolarHBondContact NH2-OD1 3.08Å; R284-D288 WeakPolarHBondContact O-CB 3.47Å; R284-D288 VanDerWaalsContact O-CG 3.31Å; R284-D288 PolarHBondContact O-N 2.89Å
285	F	95.6	Very high	94.5	Very high	3 Å²	3	48.1 Å²	48.1	1%	0.013	24%	0.244	C	C	.	.	H	α-helix	trans	-59.4	-47.4	173.5	179.7	-93.8	0	0	0	111.7	G252 L255 L256 M281 C282 S283 D288 F289 Q295 T340	G252-F285 WeakPolarHBondContact O-CD2 3.3Å; L255-F285 HydrophobicContact CB-CB 4.41Å; L255-F285 HydrophobicContact CD2-CB 3.81Å; L255-F285 HydrophobicContact CD2-CD1 4.34Å; L255-F285 HydrophobicContact CD2-CD2 4.14Å; L255-F285 HydrophobicContact CD2-CG 3.84Å; L256-F285 HydrophobicContact CD2-CE2 4.02Å; L256-F285 HydrophobicContact CG-CE2 4.37Å; M281-F285 WeakPolarHBondContact O-CB 3.34Å; M281-F285 PolarHBondContact O-N 2.85Å; C282-F285 WeakPolarHBondContact O-CB 3.26Å; C282-F285 PolarHBondContact O-N 2.71Å; S283-F285 VanDerWaalsContact C-N 3.33Å; S283-F285 PolarHBondContact O-N 2.91Å; F285-D288 PolarHBondContact O-N 3.45Å; F285-F289 AromaticContact CD2-CD2 3.65Å; F285-F289 HydrophobicContact CD2-CD2 3.65Å; F285-F289 HydrophobicContact CD2-CE2 4.03Å; F285-F289 AromaticContact CE2-CD2 3.67Å; F285-F289 HydrophobicContact CE2-CD2 3.67Å; F285-F289 HydrophobicContact CE2-CE2 4.13Å; F285-F289 HydrophobicContact CG-CD2 4.25Å; F285-F289 HydrophobicContact CZ-CD2 4.3Å; F285-F289 WeakPolarHBondContact O-CB 3.26Å; F285-F289 WeakPolarHBondContact O-CD2 3.38Å; F285-F289 PolarHBondContact O-N 2.98Å; F285-Q295 HydrophobicContact CE1-CG 3.87Å; F285-Q295 HydrophobicContact CZ-CB 4.35Å; F285-Q295 HydrophobicContact CZ-CG 4Å; F285-T340 HydrophobicContact CE1-CG2 4.3Å
286	F	93.9	Very high	94.7	Very high	12 Å²	12	47 Å²	47	5%	0.053	24%	0.241	C	C	.	.	H	α-helix	trans	-69.6	-32.2	177.7	-64.4	-56.9	0	0	0	113.6	C282 S283 F289 P290 V325 T329 M333 E336 T340	C282-F286 WeakPolarHBondContact O-CD2 3.41Å; C282-F286 PolarHBondContact O-N 3.21Å; C282-F286 VanDerWaalsContact O-N 3.15Å; S283-F286 PolarHBondContact O-N 3.4Å; F286-F289 CarbonylContact O-C 3.43Å; F286-P290 VanDerWaalsContact O-CA 3.28Å; F286-P290 WeakPolarHBondContact O-CA 3.29Å; F286-V325 HydrophobicContact CZ-CG1 4.2Å; F286-T329 HydrophobicContact CE2-CG2 3.74Å; F286-T329 HydrophobicContact CZ-CG2 4.44Å; F286-M333 HydrophobicContact CB-SD 4.04Å; F286-M333 HydrophobicContact CD2-CE 3.63Å; F286-M333 HydrophobicContact CD2-SD 3.83Å; F286-M333 HydrophobicContact CE2-CE 4.23Å; F286-M333 HydrophobicContact CG-SD 4.2Å; F286-E336 HydrophobicContact CD1-CB 4.47Å; F286-T340 HydrophobicContact CE1-CG2 4.14Å; F286-T340 VanDerWaalsContact CE1-OG1 3.3Å; F286-T340 WeakPolarHBondContact CE1-OG1 3.48Å; F286-T340 HydrophobicContact CZ-CG2 4.48Å
287	I	93.2	Very high	94.8	Very high	102 Å²	102	51.4 Å²	51.4	52%	0.523	25%	0.248	S	C	.	.	H	α-helix	trans	-68.5	-43.4	175.2	-68.9	163.8	0	0	0	111	S283 R284	S283-I287 WeakPolarHBondContact O-CD1 3.37Å; S283-I287 VanDerWaalsContact O-CG1 3.25Å; S283-I287 WeakPolarHBondContact O-CG1 3.33Å; S283-I287 PolarHBondContact O-N 3.03Å; R284-I287 PolarHBondContact O-N 2.78Å
288	D	94.4	Very high	94.9	Very high	46 Å²	46	54.4 Å²	54.4	25%	0.246	26%	0.26	C	S	.	.	H	α-helix	trans	-81	-24.2	-176.5	-66.7	-11.5	0	0	0	112.1	R251 G252 R284 F285	R251-D288 WeakPolarHBondContact CB-OD2 3.44Å; G252-D288 PolarHBondContact N-OD2 2.99Å; R284-D288 IonicContact CZ-OD1 3.69Å; R284-D288 VanDerWaalsContact CZ-OD1 3.24Å; R284-D288 IonicContact NE-OD1 2.94Å; R284-D288 PolarHBondContact NE-OD1 3.22Å; R284-D288 IonicContact NE-OD2 2.99Å; R284-D288 PolarHBondContact NE-OD2 3.13Å; R284-D288 IonicContact NH2-OD1 2.6Å; R284-D288 PolarHBondContact NH2-OD1 3.08Å; R284-D288 WeakPolarHBondContact O-CB 3.47Å; R284-D288 VanDerWaalsContact O-CG 3.31Å; R284-D288 PolarHBondContact O-N 2.89Å; F285-D288 PolarHBondContact O-N 3.45Å
289	F	94.8	Very high	95	Very high	38 Å²	38	53.7 Å²	53.7	17%	0.167	26%	0.257	C	S	.	.			trans	-132.6	73.9	177.6	-48.3	-66.3	0	0	0	111	F285 F286 Q295 K298	F285-F289 AromaticContact CD2-CD2 3.65Å; F285-F289 HydrophobicContact CD2-CD2 3.65Å; F285-F289 HydrophobicContact CD2-CE2 4.03Å; F285-F289 AromaticContact CE2-CD2 3.67Å; F285-F289 HydrophobicContact CE2-CD2 3.67Å; F285-F289 HydrophobicContact CE2-CE2 4.13Å; F285-F289 HydrophobicContact CG-CD2 4.25Å; F285-F289 HydrophobicContact CZ-CD2 4.3Å; F285-F289 WeakPolarHBondContact O-CB 3.26Å; F285-F289 WeakPolarHBondContact O-CD2 3.38Å; F285-F289 PolarHBondContact O-N 2.98Å; F286-F289 CarbonylContact O-C 3.43Å; F289-Q295 HydrophobicContact CB-CG 3.83Å; F289-Q295 WeakPolarHBondContact O-CG 3.39Å; F289-Q295 PolarHBondContact O-NE2 3.35Å; F289-K298 HydrophobicContact CE1-CD 4.23Å; F289-K298 HydrophobicContact CE1-CG 4.15Å; F289-K298 HydrophobicContact CE2-CG 4.23Å; F289-K298 HydrophobicContact CZ-CD 4.08Å; F289-K298 HydrophobicContact CZ-CG 3.97Å
290	P	92.9	Very high	95	Very high	94 Å²	94	50.5 Å²	50.5	61%	0.61	25%	0.248	S	C	*	.			trans	-72.6	-28.7	-174.8	28.7	-35	0	0	0	113.2	F286	F286-P290 VanDerWaalsContact O-CA 3.28Å; F286-P290 WeakPolarHBondContact O-CA 3.29Å
291	D	94.7	Very high	94.9	Very high	80 Å²	80	49.2 Å²	49.2	43%	0.428	25%	0.25	S	S	.	.	S	Bend	trans	-89.4	139.6	-178.1	176	-107.2	0	0	0	112.6	G293 E294 Q295	D291-G293 VanDerWaalsContact C-N 3.31Å; D291-G293 PolarHBondContact O-N 3.33Å; D291-G293 WeakPolarHBondContact OD1-CA 3.44Å; D291-G293 PolarHBondContact OD1-N 3.33Å; D291-E294 HydrophobicContact CB-CB 4.17Å; D291-E294 HydrophobicContact CB-CG 4.12Å; D291-E294 WeakPolarHBondContact O-CB 3.36Å; D291-E294 PolarHBondContact O-N 3.2Å; D291-E294 PolarHBondContact OD1-N 3.1Å; D291-Q295 WeakPolarHBondContact O-CG 3.31Å; D291-Q295 PolarHBondContact O-N 3.43Å
292	I	95.4	Very high	94.7	Very high	57 Å²	57	50.2 Å²	50.2	29%	0.292	25%	0.254	S	S	.	.	H	α-helix	trans	-66.7	-32.9	-179.2	-166.5	61.9	0	0	0	112.5	Q295 Q296 Q339 L343	I292-Q295 PolarHBondContact O-N 3.34Å; I292-Q296 WeakPolarHBondContact O-CB 3.47Å; I292-Q296 PolarHBondContact O-N 3.45Å; I292-Q339 HydrophobicContact CD1-CB 4.1Å; I292-L343 HydrophobicContact CD1-CB 3.99Å; I292-L343 HydrophobicContact CD1-CD2 3.64Å; I292-L343 HydrophobicContact CD1-CG 4.43Å; I292-L343 HydrophobicContact CG1-CD2 4.3Å
293	G	96.5	Very high	94.6	Very high	22 Å²	22	50.8 Å²	50.8	23%	0.227	26%	0.257	C	S	.	.	H	α-helix	trans	-70.8	-33.5	175.4	0	0	0	0	0	112.5	D291 R297	D291-G293 VanDerWaalsContact C-N 3.31Å; D291-G293 PolarHBondContact O-N 3.33Å; D291-G293 WeakPolarHBondContact OD1-CA 3.44Å; D291-G293 PolarHBondContact OD1-N 3.33Å; G293-R297 WeakPolarHBondContact O-CG 3.45Å; G293-R297 PolarHBondContact O-N 3.45Å; G293-R297 VanDerWaalsContact O-N 3.11Å; G293-R297 PolarHBondContact O-NE 3.44Å
294	E	94.9	Very high	94.3	Very high	74 Å²	74	55.9 Å²	55.9	35%	0.346	28%	0.277	S	S	.	.	H	α-helix	trans	-64.8	-46.6	168.3	-76.6	-177.5	173.1	0	0	112.2	D291 Q296 R297 K298	D291-E294 HydrophobicContact CB-CB 4.17Å; D291-E294 HydrophobicContact CB-CG 4.12Å; D291-E294 WeakPolarHBondContact O-CB 3.36Å; D291-E294 PolarHBondContact O-N 3.2Å; D291-E294 PolarHBondContact OD1-N 3.1Å; E294-Q296 VanDerWaalsContact C-N 3.33Å; E294-Q296 PolarHBondContact O-N 3.49Å; E294-R297 PolarHBondContact O-N 2.87Å; E294-K298 VanDerWaalsContact O-CB 3.3Å; E294-K298 WeakPolarHBondContact O-CB 3.28Å; E294-K298 PolarHBondContact O-N 3.3Å
295	Q	96.4	Very high	93.9	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.019	28%	0.279	C	S	.	.	H	α-helix	trans	-59.3	-44.9	176.4	-67.7	173.7	20.6	0	0	111.4	F285 F289 D291 I292 K298 L299 T340 L343	F285-Q295 HydrophobicContact CE1-CG 3.87Å; F285-Q295 HydrophobicContact CZ-CB 4.35Å; F285-Q295 HydrophobicContact CZ-CG 4Å; F289-Q295 HydrophobicContact CB-CG 3.83Å; F289-Q295 WeakPolarHBondContact O-CG 3.39Å; F289-Q295 PolarHBondContact O-NE2 3.35Å; D291-Q295 WeakPolarHBondContact O-CG 3.31Å; D291-Q295 PolarHBondContact O-N 3.43Å; I292-Q295 PolarHBondContact O-N 3.34Å; Q295-K298 PolarHBondContact O-N 2.97Å; Q295-L299 WeakPolarHBondContact O-CB 3.3Å; Q295-L299 VanDerWaalsContact O-CG 3.32Å; Q295-L299 WeakPolarHBondContact O-CG 3.48Å; Q295-L299 PolarHBondContact O-N 3.29Å; Q295-T340 PolarHBondContact OE1-OG1 2.9Å; Q295-L343 HydrophobicContact CB-CD2 3.95Å
296	Q	97.2	Very high	93.5	Very high	68 Å²	68	58 Å²	58	32%	0.318	29%	0.291	S	S	.	.	H	α-helix	trans	-58.1	-54.6	176.4	178.8	175.6	-3.9	0	0	111.4	I292 E294 K298 L299 E300 L343	I292-Q296 WeakPolarHBondContact O-CB 3.47Å; I292-Q296 PolarHBondContact O-N 3.45Å; E294-Q296 VanDerWaalsContact C-N 3.33Å; E294-Q296 PolarHBondContact O-N 3.49Å; Q296-K298 PolarHBondContact O-N 2.87Å; Q296-L299 PolarHBondContact O-N 2.74Å; Q296-E300 HydrophobicContact CG-CG 4.28Å; Q296-E300 WeakPolarHBondContact CG-OE1 3.36Å; Q296-E300 PolarHBondContact NE2-OE1 2.96Å; Q296-E300 WeakPolarHBondContact O-CB 3.48Å; Q296-E300 WeakPolarHBondContact O-CG 3.42Å; Q296-E300 PolarHBondContact O-N 2.83Å; Q296-L343 HydrophobicContact CB-CD1 3.78Å; Q296-L343 HydrophobicContact CB-CD2 3.98Å; Q296-L343 HydrophobicContact CG-CD1 3.88Å
297	R	95.8	Very high	93.2	Very high	152 Å²	152	57.4 Å²	57.4	57%	0.574	29%	0.288	S	S	*	.	H	α-helix	trans	-57.4	-39.7	178.7	-76.6	-178.6	-74.1	131.4	-9.9	111.8	G293 E294 S301	G293-R297 WeakPolarHBondContact O-CG 3.45Å; G293-R297 PolarHBondContact O-N 3.45Å; G293-R297 VanDerWaalsContact O-N 3.11Å; G293-R297 PolarHBondContact O-NE 3.44Å; E294-R297 PolarHBondContact O-N 2.87Å; R297-S301 WeakPolarHBondContact O-CB 3.45Å; R297-S301 PolarHBondContact O-N 2.74Å
298	K	95.1	Very high	92.6	Very high	79 Å²	79	56.4 Å²	56.4	34%	0.343	29%	0.287	S	S	.	.	H	α-helix	trans	-66.9	-43.9	179.4	-174.8	61.2	177.8	178.4	0	111.8	L256 F289 E294 Q295 Q296 Y302	L256-K298 HydrophobicContact CD1-CG 4.06Å; F289-K298 HydrophobicContact CE1-CD 4.23Å; F289-K298 HydrophobicContact CE1-CG 4.15Å; F289-K298 HydrophobicContact CE2-CG 4.23Å; F289-K298 HydrophobicContact CZ-CD 4.08Å; F289-K298 HydrophobicContact CZ-CG 3.97Å; E294-K298 VanDerWaalsContact O-CB 3.3Å; E294-K298 WeakPolarHBondContact O-CB 3.28Å; E294-K298 PolarHBondContact O-N 3.3Å; Q295-K298 PolarHBondContact O-N 2.97Å; Q296-K298 PolarHBondContact O-N 2.87Å; K298-Y302 VanDerWaalsContact O-CB 3.31Å; K298-Y302 WeakPolarHBondContact O-CB 3.33Å; K298-Y302 PolarHBondContact O-N 2.6Å
299	L	96.3	Very high	92	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-66.9	-47.5	177.7	-71.4	176	0	0	0	111.9	L256 Q295 Q296 S301 Y302 L303 L321 L343 I344 L347	L256-L299 HydrophobicContact CD1-CD2 4.44Å; L256-L299 HydrophobicContact CD2-CD2 3.53Å; Q295-L299 WeakPolarHBondContact O-CB 3.3Å; Q295-L299 VanDerWaalsContact O-CG 3.32Å; Q295-L299 WeakPolarHBondContact O-CG 3.48Å; Q295-L299 PolarHBondContact O-N 3.29Å; Q296-L299 PolarHBondContact O-N 2.74Å; L299-S301 VanDerWaalsContact C-N 3.34Å; L299-S301 PolarHBondContact O-N 3.06Å; L299-Y302 PolarHBondContact O-N 2.88Å; L299-Y302 VanDerWaalsContact O-N 3.13Å; L299-L303 WeakPolarHBondContact O-CG 3.48Å; L299-L303 PolarHBondContact O-N 2.92Å; L299-L321 HydrophobicContact CD1-CD2 4.47Å; L299-L321 HydrophobicContact CD2-CD2 3.5Å; L299-L343 HydrophobicContact CD1-CD2 4.1Å; L299-L343 HydrophobicContact CD1-CG 4.38Å; L299-I344 HydrophobicContact CD1-CG1 4.05Å; L299-L347 HydrophobicContact CB-CD1 3.87Å; L299-L347 HydrophobicContact CD1-CD1 4.06Å
300	E	94.7	Very high	91.5	Very high	60 Å²	60	58.7 Å²	58.7	28%	0.28	32%	0.317	S	S	.	.	H	α-helix	trans	-58.6	-46.7	176.9	-72.2	175.5	170	0	0	111.1	Q296 Y302 L303 Q304 L347 R350	Q296-E300 HydrophobicContact CG-CG 4.28Å; Q296-E300 WeakPolarHBondContact CG-OE1 3.36Å; Q296-E300 PolarHBondContact NE2-OE1 2.96Å; Q296-E300 WeakPolarHBondContact O-CB 3.48Å; Q296-E300 WeakPolarHBondContact O-CG 3.42Å; Q296-E300 PolarHBondContact O-N 2.83Å; E300-Y302 VanDerWaalsContact C-N 3.33Å; E300-Y302 PolarHBondContact O-N 3.48Å; E300-L303 PolarHBondContact O-N 3.39Å; E300-Q304 WeakPolarHBondContact O-CB 3.42Å; E300-Q304 PolarHBondContact O-N 3.41Å; E300-L347 HydrophobicContact CG-CD2 3.99Å; E300-R350 IonicContact OE1-NH1 3.48Å
301	S	91.5	Very high	91.2	Very high	52 Å²	52	57.9 Å²	57.9	36%	0.364	31%	0.305	S	S	.	.	H	α-helix	trans	-61.9	-40.2	175.1	-176.9	0	0	0	0	112.1	R297 L299 N305	R297-S301 WeakPolarHBondContact O-CB 3.45Å; R297-S301 PolarHBondContact O-N 2.74Å; L299-S301 VanDerWaalsContact C-N 3.34Å; L299-S301 PolarHBondContact O-N 3.06Å; S301-N305 VanDerWaalsContact O-CB 3.26Å; S301-N305 WeakPolarHBondContact O-CB 3.38Å; S301-N305 PolarHBondContact O-N 3.43Å; S301-N305 PolarHBondContact O-ND2 3.38Å; S301-N305 PolarHBondContact OG-ND2 3Å
302	Y	92.7	Very high	90.8	Very high	21 Å²	21	60.2 Å²	60.2	8%	0.082	32%	0.317	C	S	.	.	H	α-helix	trans	-64.4	-45	177.6	-167	-87.6	0	0	0	111.6	L256 H260 K298 L299 E300 N305 H306 F307 Y317	L256-Y302 HydrophobicContact CB-CD1 4.43Å; L256-Y302 HydrophobicContact CB-CD2 3.93Å; L256-Y302 HydrophobicContact CB-CE1 4.25Å; L256-Y302 HydrophobicContact CB-CE2 3.72Å; L256-Y302 HydrophobicContact CB-CG 4.28Å; L256-Y302 HydrophobicContact CD1-CD2 3.81Å; L256-Y302 HydrophobicContact CD1-CE2 4.43Å; L256-Y302 HydrophobicContact CD1-CG 4.01Å; L256-Y302 PolarHBondContact O-OH 3.47Å; H260-Y302 HydrophobicContact CB-CE1 4.34Å; H260-Y302 VanDerWaalsContact CB-OH 3.28Å; H260-Y302 WeakPolarHBondContact CB-OH 3.3Å; K298-Y302 VanDerWaalsContact O-CB 3.31Å; K298-Y302 WeakPolarHBondContact O-CB 3.33Å; K298-Y302 PolarHBondContact O-N 2.6Å; L299-Y302 PolarHBondContact O-N 2.88Å; L299-Y302 VanDerWaalsContact O-N 3.13Å; E300-Y302 VanDerWaalsContact C-N 3.33Å; E300-Y302 PolarHBondContact O-N 3.48Å; Y302-N305 PolarHBondContact O-N 3.26Å; Y302-H306 HydrophobicContact CD1-CB 4.33Å; Y302-H306 AromaticContact CD1-CD2 3.95Å; Y302-H306 AromaticContact CD2-CD2 3.47Å; Y302-H306 VanDerWaalsContact CD2-CD2 3.47Å; Y302-H306 WeakPolarHBondContact CD2-CD2 3.33Å; Y302-H306 AromaticContact CD2-NE2 3.76Å; Y302-H306 HydrophobicContact CE1-CB 4.03Å; Y302-H306 AromaticContact CE1-CD2 3.89Å; Y302-H306 AromaticContact CE2-CD2 3.4Å; Y302-H306 VanDerWaalsContact CE2-CD2 3.4Å; Y302-H306 WeakPolarHBondContact CE2-CD2 3.38Å; Y302-H306 AromaticContact CE2-NE2 3.48Å; Y302-H306 WeakPolarHBondContact CE2-NE2 3.18Å; Y302-H306 AromaticContact CG-CD2 3.75Å; Y302-H306 AromaticContact CZ-CD2 3.62Å; Y302-H306 AromaticContact CZ-CG 3.85Å; Y302-H306 AromaticContact CZ-NE2 4Å; Y302-H306 WeakPolarHBondContact O-CB 3.3Å; Y302-H306 PolarHBondContact O-CD2 3.02Å; Y302-H306 PolarHBondContact O-N 3.08Å; Y302-F307 HydrophobicContact CD1-CE2 4.34Å; Y302-F307 HydrophobicContact CE1-CE2 4.21Å; Y302-Y317 HydrophobicContact CD1-CE1 4.09Å; Y302-Y317 AromaticContact CD1-CZ 3.76Å; Y302-Y317 WeakPolarHBondContact CD1-OH 3.04Å; Y302-Y317 HydrophobicContact CE1-CE1 4.32Å; Y302-Y317 AromaticContact CE1-CE2 3.96Å; Y302-Y317 HydrophobicContact CE1-CE2 3.96Å; Y302-Y317 AromaticContact CE1-CZ 3.61Å; Y302-Y317 VanDerWaalsContact CE1-OH 3.29Å; Y302-Y317 WeakPolarHBondContact CE1-OH 3.44Å
303	L	92.4	Very high	90.5	Very high	12 Å²	12	62.4 Å²	62.4	6%	0.063	32%	0.322	C	S	.	.	H	α-helix	trans	-62.1	-46.6	176.8	-68.8	174.2	0	0	0	111.7	L299 E300 N305 F307 K314 Y317 L318	L299-L303 WeakPolarHBondContact O-CG 3.48Å; L299-L303 PolarHBondContact O-N 2.92Å; E300-L303 PolarHBondContact O-N 3.39Å; L303-N305 VanDerWaalsContact C-N 3.27Å; L303-N305 PolarHBondContact O-N 2.84Å; L303-F307 HydrophobicContact CD2-CD2 4.04Å; L303-F307 HydrophobicContact CD2-CE2 4.05Å; L303-F307 WeakPolarHBondContact O-CB 3.29Å; L303-F307 PolarHBondContact O-N 3Å; L303-K314 HydrophobicContact CD2-CB 4.32Å; L303-K314 HydrophobicContact CD2-CG 4.19Å; L303-Y317 HydrophobicContact CD2-CD1 3.62Å; L303-Y317 HydrophobicContact CD2-CE1 3.93Å; L303-L318 HydrophobicContact CD1-CD1 4.07Å; L303-L318 HydrophobicContact CD1-CD2 4.18Å; L303-L318 HydrophobicContact CD1-CG 4.41Å; L303-L318 HydrophobicContact CD2-CD2 4.46Å; L303-L318 HydrophobicContact CD2-CG 4.35Å
304	Q	87.9	Confident	90.4	Very high	141 Å²	141	62.4 Å²	62.4	66%	0.659	32%	0.316	S	S	*	.	H	α-helix	trans	-62.2	-37.6	179.3	-173.6	177.9	14.2	0	0	111.8	E300 V308	E300-Q304 WeakPolarHBondContact O-CB 3.42Å; E300-Q304 PolarHBondContact O-N 3.41Å; Q304-V308 WeakPolarHBondContact O-CG2 3.36Å
305	N	85.1	Confident	90.3	Very high	46 Å²	46	62.7 Å²	62.7	25%	0.246	31%	0.314	C	S	.	.	H	α-helix	trans	-78	-50.9	-179.7	-73.2	-39.3	0	0	0	111.8	K100 S301 Y302 L303	K100-N305 WeakPolarHBondContact CD-O 3.32Å; K100-N305 WeakPolarHBondContact CE-O 3.05Å; S301-N305 VanDerWaalsContact O-CB 3.26Å; S301-N305 WeakPolarHBondContact O-CB 3.38Å; S301-N305 PolarHBondContact O-N 3.43Å; S301-N305 PolarHBondContact O-ND2 3.38Å; S301-N305 PolarHBondContact OG-ND2 3Å; Y302-N305 PolarHBondContact O-N 3.26Å; L303-N305 VanDerWaalsContact C-N 3.27Å; L303-N305 PolarHBondContact O-N 2.84Å
306	H	86.9	Confident	90.3	Very high	58 Å²	58	66.7 Å²	66.7	27%	0.269	34%	0.336	S	S	.	.	H	α-helix	trans	-92.4	-3.8	-165.2	-69.2	-85.2	0	0	0	115.6	H260 Y302	H260-H306 AromaticContact CE1-ND1 3.93Å; Y302-H306 HydrophobicContact CD1-CB 4.33Å; Y302-H306 AromaticContact CD1-CD2 3.95Å; Y302-H306 AromaticContact CD2-CD2 3.47Å; Y302-H306 VanDerWaalsContact CD2-CD2 3.47Å; Y302-H306 WeakPolarHBondContact CD2-CD2 3.33Å; Y302-H306 AromaticContact CD2-NE2 3.76Å; Y302-H306 HydrophobicContact CE1-CB 4.03Å; Y302-H306 AromaticContact CE1-CD2 3.89Å; Y302-H306 AromaticContact CE2-CD2 3.4Å; Y302-H306 VanDerWaalsContact CE2-CD2 3.4Å; Y302-H306 WeakPolarHBondContact CE2-CD2 3.38Å; Y302-H306 AromaticContact CE2-NE2 3.48Å; Y302-H306 WeakPolarHBondContact CE2-NE2 3.18Å; Y302-H306 AromaticContact CG-CD2 3.75Å; Y302-H306 AromaticContact CZ-CD2 3.62Å; Y302-H306 AromaticContact CZ-CG 3.85Å; Y302-H306 AromaticContact CZ-NE2 4Å; Y302-H306 WeakPolarHBondContact O-CB 3.3Å; Y302-H306 PolarHBondContact O-CD2 3.02Å; Y302-H306 PolarHBondContact O-N 3.08Å
307	F	87.4	Confident	90.3	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.2	19	-176.3	-65.3	-99.2	0	0	0	113.7	H260 Y302 L303 G309 L310 R313 K314 Y317	H260-F307 AromaticContact CD2-CE2 3.81Å; H260-F307 AromaticContact CD2-CZ 3.54Å; H260-F307 AromaticContact NE2-CZ 3.99Å; Y302-F307 HydrophobicContact CD1-CE2 4.34Å; Y302-F307 HydrophobicContact CE1-CE2 4.21Å; L303-F307 HydrophobicContact CD2-CD2 4.04Å; L303-F307 HydrophobicContact CD2-CE2 4.05Å; L303-F307 WeakPolarHBondContact O-CB 3.29Å; L303-F307 PolarHBondContact O-N 3Å; F307-G309 PolarHBondContact O-N 3.26Å; F307-L310 HydrophobicContact CD1-CB 4.41Å; F307-L310 CarbonylContact O-C 3.43Å; F307-L310 PolarHBondContact O-N 3.48Å; F307-R313 HydrophobicContact CD1-CB 4.11Å; F307-R313 HydrophobicContact CE1-CB 4.04Å; F307-K314 HydrophobicContact CB-CD 4.21Å; F307-K314 HydrophobicContact CB-CG 3.58Å; F307-K314 HydrophobicContact CD1-CG 3.92Å; F307-K314 HydrophobicContact CD2-CG 4.46Å; F307-K314 HydrophobicContact CG-CG 3.75Å; F307-Y317 HydrophobicContact CE1-CG 4.19Å; F307-Y317 AromaticContact CE2-CD1 3.96Å; F307-Y317 HydrophobicContact CE2-CD1 3.96Å; F307-Y317 HydrophobicContact CE2-CD2 4.21Å; F307-Y317 HydrophobicContact CE2-CE1 4.33Å; F307-Y317 AromaticContact CE2-CG 3.89Å; F307-Y317 HydrophobicContact CE2-CG 3.89Å; F307-Y317 AromaticContact CZ-CD1 3.83Å; F307-Y317 HydrophobicContact CZ-CD1 3.83Å; F307-Y317 AromaticContact CZ-CD2 3.62Å; F307-Y317 HydrophobicContact CZ-CD2 3.62Å; F307-Y317 HydrophobicContact CZ-CE2 4.34Å; F307-Y317 AromaticContact CZ-CG 3.31Å; F307-Y317 HydrophobicContact CZ-CG 3.31Å
308	V	82.3	Confident	90.4	Very high	80 Å²	80	56.2 Å²	56.2	49%	0.485	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	121.9	170	-175.7	0	0	0	0	109	Q304 L310	Q304-V308 WeakPolarHBondContact O-CG2 3.36Å; V308-L310 PolarHBondContact O-N 3.47Å
309	G	81.6	Confident	90.5	Very high	71 Å²	71	55.5 Å²	55.5	73%	0.732	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	3.8	-175.8	0	0	0	0	0	115.1	F307	F307-G309 PolarHBondContact O-N 3.26Å
310	L	84.8	Confident	90.5	Very high	61 Å²	61	57.4 Å²	57.4	32%	0.319	30%	0.304	S	S	.	.			trans	-128.6	39.9	177.6	-64	174.1	0	0	0	110.8	F307 V308 D312 R313	F307-L310 HydrophobicContact CD1-CB 4.41Å; F307-L310 CarbonylContact O-C 3.43Å; F307-L310 PolarHBondContact O-N 3.48Å; V308-L310 PolarHBondContact O-N 3.47Å; L310-D312 VanDerWaalsContact C-N 3.28Å; L310-D312 PolarHBondContact O-N 2.92Å; L310-R313 PolarHBondContact O-N 2.88Å
311	E	85.4	Confident	90.7	Very high	77 Å²	77	54.6 Å²	54.6	36%	0.36	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-44.9	-176.3	-68.2	-62.1	145.9	0	0	111.8	R313 K314 Q355	E311-R313 PolarHBondContact O-N 3.44Å; E311-K314 VanDerWaalsContact CD-CE 3.49Å; E311-K314 WeakPolarHBondContact O-CB 3.4Å; E311-K314 WeakPolarHBondContact O-CG 3.45Å; E311-K314 PolarHBondContact O-N 3.26Å; E311-K314 WeakPolarHBondContact OE1-CE 3.23Å; E311-K314 IonicContact OE1-NZ 2.96Å; E311-K314 PolarHBondContact OE1-NZ 3.48Å; E311-K314 VanDerWaalsContact OE2-CD 3.3Å; E311-K314 WeakPolarHBondContact OE2-CD 3.37Å; E311-K314 WeakPolarHBondContact OE2-CE 3.27Å; E311-K314 IonicContact OE2-NZ 2.85Å; E311-K314 PolarHBondContact OE2-NZ 3.46Å; E311-Q355 PolarHBondContact O-NE2 2.91Å
312	D	85.6	Confident	91	Very high	129 Å²	129	54.8 Å²	54.8	69%	0.69	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-25.9	-179.6	-55.2	-23	0	0	0	113.2	L310	L310-D312 VanDerWaalsContact C-N 3.28Å; L310-D312 PolarHBondContact O-N 2.92Å
313	R	89.7	Confident	91.2	Very high	104 Å²	104	54.9 Å²	54.9	39%	0.392	29%	0.293	S	S	.	.	H	α-helix	trans	-87.5	-8.5	179.8	-62.5	-170.2	178.8	-172	1.5	114	F307 L310 E311 Y315 D316 Y317	F307-R313 HydrophobicContact CD1-CB 4.11Å; F307-R313 HydrophobicContact CE1-CB 4.04Å; L310-R313 PolarHBondContact O-N 2.88Å; E311-R313 PolarHBondContact O-N 3.44Å; R313-Y315 VanDerWaalsContact C-N 3.29Å; R313-Y315 PolarHBondContact O-N 3.18Å; R313-D316 PolarHBondContact O-N 2.89Å; R313-Y317 WeakPolarHBondContact O-CB 3.43Å; R313-Y317 PolarHBondContact O-N 2.98Å
314	K	93.9	Very high	91.4	Very high	22 Å²	22	54.8 Å²	54.8	10%	0.096	29%	0.293	C	S	.	.	H	α-helix	trans	-61.4	-39.9	179.5	-73.5	-175.4	179.2	168.4	0	111.3	L303 F307 E311 Y317 L318 V351	L303-K314 HydrophobicContact CD2-CB 4.32Å; L303-K314 HydrophobicContact CD2-CG 4.19Å; F307-K314 HydrophobicContact CB-CD 4.21Å; F307-K314 HydrophobicContact CB-CG 3.58Å; F307-K314 HydrophobicContact CD1-CG 3.92Å; F307-K314 HydrophobicContact CD2-CG 4.46Å; F307-K314 HydrophobicContact CG-CG 3.75Å; E311-K314 VanDerWaalsContact CD-CE 3.49Å; E311-K314 WeakPolarHBondContact O-CB 3.4Å; E311-K314 WeakPolarHBondContact O-CG 3.45Å; E311-K314 PolarHBondContact O-N 3.26Å; E311-K314 WeakPolarHBondContact OE1-CE 3.23Å; E311-K314 IonicContact OE1-NZ 2.96Å; E311-K314 PolarHBondContact OE1-NZ 3.48Å; E311-K314 VanDerWaalsContact OE2-CD 3.3Å; E311-K314 WeakPolarHBondContact OE2-CD 3.37Å; E311-K314 WeakPolarHBondContact OE2-CE 3.27Å; E311-K314 IonicContact OE2-NZ 2.85Å; E311-K314 PolarHBondContact OE2-NZ 3.46Å; K314-Y317 PolarHBondContact O-N 2.95Å; K314-L318 WeakPolarHBondContact O-CG 3.32Å; K314-L318 PolarHBondContact O-N 3.45Å; K314-V351 HydrophobicContact CB-CG1 3.73Å; K314-V351 HydrophobicContact CB-CG2 4.07Å; K314-V351 HydrophobicContact CD-CG2 4.35Å
315	Y	94.6	Very high	91.8	Very high	79 Å²	79	48.1 Å²	48.1	31%	0.31	26%	0.262	S	S	.	.	H	α-helix	trans	-63.9	-51.2	177.9	178.9	-97.9	0	0	0	111.7	R313 Y317 L318 M319 A348 L352	R313-Y315 VanDerWaalsContact C-N 3.29Å; R313-Y315 PolarHBondContact O-N 3.18Å; Y315-Y317 PolarHBondContact O-N 2.63Å; Y315-L318 PolarHBondContact O-N 3.28Å; Y315-L318 VanDerWaalsContact O-N 3.08Å; Y315-M319 HydrophobicContact CD1-CG 4.11Å; Y315-M319 HydrophobicContact CD2-CE 4.49Å; Y315-M319 HydrophobicContact CD2-CG 4.46Å; Y315-M319 HydrophobicContact CE1-CG 3.6Å; Y315-M319 HydrophobicContact CE2-CE 3.86Å; Y315-M319 HydrophobicContact CE2-CG 3.98Å; Y315-M319 HydrophobicContact CE2-SD 4.3Å; Y315-M319 PolarHBondContact O-N 3.33Å; Y315-A348 HydrophobicContact CD2-CB 3.97Å; Y315-A348 HydrophobicContact CE2-CB 4.06Å; Y315-L352 HydrophobicContact CD2-CD1 3.87Å; Y315-L352 HydrophobicContact CD2-CD2 3.83Å; Y315-L352 HydrophobicContact CD2-CG 3.63Å; Y315-L352 HydrophobicContact CE2-CD1 3.51Å; Y315-L352 HydrophobicContact CE2-CD2 4.18Å; Y315-L352 HydrophobicContact CE2-CG 3.85Å; Y315-L352 HydrophobicContact CG-CD2 4.1Å; Y315-L352 HydrophobicContact CG-CG 4.38Å
316	D	95	Very high	92.2	Very high	88 Å²	88	49.5 Å²	49.5	47%	0.471	27%	0.269	S	S	.	.	H	α-helix	trans	-57.9	-38.7	178.7	-65.6	-23.8	0	0	0	112	V263 R313 T320	V263-D316 HydrophobicContact CG1-CB 4.4Å; R313-D316 PolarHBondContact O-N 2.89Å; D316-T320 WeakPolarHBondContact O-CB 3.46Å; D316-T320 PolarHBondContact O-N 2.89Å; D316-T320 PolarHBondContact O-OG1 3.47Å
317	Y	97.3	Very high	92.5	Very high	1 Å²	1	52.9 Å²	52.9	0%	0.004	29%	0.285	C	S	.	.	H	α-helix	trans	-64.3	-46.4	174.9	171.4	-98	0	0	0	112.6	L256 C259 H260 V263 Y302 L303 F307 R313 K314 Y315 M319 T320 L321	L256-Y317 WeakPolarHBondContact CA-OH 3.14Å; L256-Y317 WeakPolarHBondContact CB-OH 3.3Å; L256-Y317 WeakPolarHBondContact O-CE2 3.17Å; L256-Y317 PolarHBondContact O-OH 3.15Å; C259-Y317 HydrophobicContact CB-CD2 4.14Å; C259-Y317 HydrophobicContact CB-CE2 3.68Å; H260-Y317 HydrophobicContact CB-CD2 4.42Å; H260-Y317 HydrophobicContact CB-CE2 4.03Å; V263-Y317 HydrophobicContact CG2-CD2 4.31Å; Y302-Y317 HydrophobicContact CD1-CE1 4.09Å; Y302-Y317 AromaticContact CD1-CZ 3.76Å; Y302-Y317 WeakPolarHBondContact CD1-OH 3.04Å; Y302-Y317 HydrophobicContact CE1-CE1 4.32Å; Y302-Y317 AromaticContact CE1-CE2 3.96Å; Y302-Y317 HydrophobicContact CE1-CE2 3.96Å; Y302-Y317 AromaticContact CE1-CZ 3.61Å; Y302-Y317 VanDerWaalsContact CE1-OH 3.29Å; Y302-Y317 WeakPolarHBondContact CE1-OH 3.44Å; L303-Y317 HydrophobicContact CD2-CD1 3.62Å; L303-Y317 HydrophobicContact CD2-CE1 3.93Å; F307-Y317 HydrophobicContact CE1-CG 4.19Å; F307-Y317 AromaticContact CE2-CD1 3.96Å; F307-Y317 HydrophobicContact CE2-CD1 3.96Å; F307-Y317 HydrophobicContact CE2-CD2 4.21Å; F307-Y317 HydrophobicContact CE2-CE1 4.33Å; F307-Y317 AromaticContact CE2-CG 3.89Å; F307-Y317 HydrophobicContact CE2-CG 3.89Å; F307-Y317 AromaticContact CZ-CD1 3.83Å; F307-Y317 HydrophobicContact CZ-CD1 3.83Å; F307-Y317 AromaticContact CZ-CD2 3.62Å; F307-Y317 HydrophobicContact CZ-CD2 3.62Å; F307-Y317 HydrophobicContact CZ-CE2 4.34Å; F307-Y317 AromaticContact CZ-CG 3.31Å; F307-Y317 HydrophobicContact CZ-CG 3.31Å; R313-Y317 WeakPolarHBondContact O-CB 3.43Å; R313-Y317 PolarHBondContact O-N 2.98Å; K314-Y317 PolarHBondContact O-N 2.95Å; Y315-Y317 PolarHBondContact O-N 2.63Å; Y317-M319 VanDerWaalsContact C-N 3.33Å; Y317-M319 PolarHBondContact O-N 3.29Å; Y317-T320 PolarHBondContact O-N 3.27Å; Y317-L321 WeakPolarHBondContact O-CB 3.46Å; Y317-L321 PolarHBondContact O-N 3.41Å
318	L	97.7	Very high	92.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-65	-38.8	178.1	-71.8	168.4	0	0	0	111.5	L303 K314 Y315 L321 H322 I344 L347 A348 V351	L303-L318 HydrophobicContact CD1-CD1 4.07Å; L303-L318 HydrophobicContact CD1-CD2 4.18Å; L303-L318 HydrophobicContact CD1-CG 4.41Å; L303-L318 HydrophobicContact CD2-CD2 4.46Å; L303-L318 HydrophobicContact CD2-CG 4.35Å; K314-L318 WeakPolarHBondContact O-CG 3.32Å; K314-L318 PolarHBondContact O-N 3.45Å; Y315-L318 PolarHBondContact O-N 3.28Å; Y315-L318 VanDerWaalsContact O-N 3.08Å; L318-L321 PolarHBondContact O-N 3.23Å; L318-H322 VanDerWaalsContact O-CB 3.29Å; L318-H322 WeakPolarHBondContact O-CB 3.43Å; L318-H322 PolarHBondContact O-N 3.34Å; L318-I344 HydrophobicContact CB-CG2 4.09Å; L318-I344 HydrophobicContact CD2-CG2 4.07Å; L318-I344 WeakPolarHBondContact O-CG2 3.49Å; L318-L347 HydrophobicContact CD1-CB 4Å; L318-L347 HydrophobicContact CD2-CB 4.35Å; L318-A348 HydrophobicContact CB-CB 4.01Å; L318-A348 HydrophobicContact CD1-CB 4.02Å; L318-V351 HydrophobicContact CD1-CG2 4.05Å
319	M	97.4	Very high	93.2	Very high	64 Å²	64	49.8 Å²	49.8	32%	0.315	27%	0.267	S	S	.	.	H	α-helix	trans	-66.5	-38.7	174.5	-70.5	-57.4	113.6	0	0	112.3	Y315 Y317 H322 G323 A348	Y315-M319 HydrophobicContact CD1-CG 4.11Å; Y315-M319 HydrophobicContact CD2-CE 4.49Å; Y315-M319 HydrophobicContact CD2-CG 4.46Å; Y315-M319 HydrophobicContact CE1-CG 3.6Å; Y315-M319 HydrophobicContact CE2-CE 3.86Å; Y315-M319 HydrophobicContact CE2-CG 3.98Å; Y315-M319 HydrophobicContact CE2-SD 4.3Å; Y315-M319 PolarHBondContact O-N 3.33Å; Y317-M319 VanDerWaalsContact C-N 3.33Å; Y317-M319 PolarHBondContact O-N 3.29Å; M319-H322 PolarHBondContact O-N 3.44Å; M319-G323 PolarHBondContact O-N 2.88Å; M319-A348 HydrophobicContact CE-CB 3.22Å
320	T	97.8	Very high	93.2	Very high	39 Å²	39	49.3 Å²	49.3	24%	0.239	25%	0.25	C	C	.	.	H	α-helix	trans	-62.5	-47.9	173.9	-60.6	0	0	0	0	111	C259 L262 V263 D316 Y317 H322 G323 V324	C259-T320 HydrophobicContact CB-CG2 4.2Å; L262-T320 HydrophobicContact CB-CG2 3.86Å; L262-T320 HydrophobicContact CD1-CG2 3.6Å; L262-T320 HydrophobicContact CG-CG2 4.42Å; V263-T320 HydrophobicContact CG1-CG2 4.37Å; V263-T320 WeakPolarHBondContact CG1-OG1 3.25Å; D316-T320 WeakPolarHBondContact O-CB 3.46Å; D316-T320 PolarHBondContact O-N 2.89Å; D316-T320 PolarHBondContact O-OG1 3.47Å; Y317-T320 PolarHBondContact O-N 3.27Å; T320-H322 VanDerWaalsContact C-N 3.34Å; T320-H322 PolarHBondContact O-N 3.04Å; T320-G323 PolarHBondContact O-N 3.05Å; T320-V324 WeakPolarHBondContact O-CG2 3.45Å; T320-V324 PolarHBondContact O-N 3.44Å
321	L	98	Very high	92.5	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-60.9	-43.7	176.4	179.4	64.4	0	0	0	111.5	L255 L256 C259 L299 Y317 L318 G323 V324 V325 I344	L255-L321 HydrophobicContact CD1-CD1 4.44Å; L255-L321 HydrophobicContact CD2-CD1 3.99Å; L255-L321 HydrophobicContact CG-CD1 3.89Å; L256-L321 HydrophobicContact CD2-CD1 4.17Å; L256-L321 HydrophobicContact CD2-CD2 4.03Å; C259-L321 HydrophobicContact CB-CB 4.38Å; L299-L321 HydrophobicContact CD1-CD2 4.47Å; L299-L321 HydrophobicContact CD2-CD2 3.5Å; Y317-L321 WeakPolarHBondContact O-CB 3.46Å; Y317-L321 PolarHBondContact O-N 3.41Å; L318-L321 PolarHBondContact O-N 3.23Å; L321-G323 PolarHBondContact O-N 3.06Å; L321-V324 PolarHBondContact O-N 2.96Å; L321-V325 HydrophobicContact CD1-CG2 4.04Å; L321-V325 HydrophobicContact CG-CG2 4.38Å; L321-V325 WeakPolarHBondContact O-CB 3.35Å; L321-V325 VanDerWaalsContact O-CG2 3.27Å; L321-V325 WeakPolarHBondContact O-CG2 3.21Å; L321-V325 PolarHBondContact O-N 3.37Å; L321-I344 HydrophobicContact CD2-CD1 3.97Å; L321-I344 HydrophobicContact CD2-CG1 4.15Å; L321-I344 HydrophobicContact CG-CD1 3.87Å
322	H	97.8	Very high	91.5	Very high	55 Å²	55	56 Å²	56	26%	0.255	30%	0.295	S	S	.	.	H	α-helix	trans	-57.9	-47	175.5	-177.3	-80	0	0	0	111.3	L318 M319 T320 V325 N326 L341 I344	L318-H322 VanDerWaalsContact O-CB 3.29Å; L318-H322 WeakPolarHBondContact O-CB 3.43Å; L318-H322 PolarHBondContact O-N 3.34Å; M319-H322 PolarHBondContact O-N 3.44Å; T320-H322 VanDerWaalsContact C-N 3.34Å; T320-H322 PolarHBondContact O-N 3.04Å; H322-V325 PolarHBondContact O-N 2.9Å; H322-N326 VanDerWaalsContact O-CB 3.23Å; H322-N326 WeakPolarHBondContact O-CB 3.49Å; H322-N326 PolarHBondContact O-N 3.28Å; H322-L341 WeakPolarHBondContact O-CD2 3.39Å; H322-I344 HydrophobicContact CB-CG2 3.83Å
323	G	96.7	Very high	91.1	Very high	23 Å²	23	51.7 Å²	51.7	24%	0.237	27%	0.271	C	S	.	.	H	α-helix	trans	-59.3	-49.8	177.1	0	0	0	0	0	112.6	M319 T320 L321 V325 N326 E327	M319-G323 PolarHBondContact O-N 2.88Å; T320-G323 PolarHBondContact O-N 3.05Å; L321-G323 PolarHBondContact O-N 3.06Å; G323-V325 PolarHBondContact O-N 3.42Å; G323-N326 PolarHBondContact O-N 3.15Å; G323-E327 WeakPolarHBondContact O-CG 3.47Å; G323-E327 PolarHBondContact O-N 3.44Å
324	V	96.3	Very high	90.7	Very high	10 Å²	10	47.5 Å²	47.5	6%	0.061	26%	0.26	C	S	.	.	H	α-helix	trans	-62	-45.8	179.4	176.7	0	0	0	0	111.4	L255 Y258 L262 Q278 T320 L321 N326 S328	L255-V324 HydrophobicContact CD1-CG1 3.75Å; Y258-V324 HydrophobicContact CE1-CG1 4.31Å; Y258-V324 HydrophobicContact CE1-CG2 3.99Å; L262-V324 HydrophobicContact CD1-CG2 4.22Å; Q278-V324 HydrophobicContact CB-CG1 4.35Å; Q278-V324 HydrophobicContact CG-CG1 4.13Å; T320-V324 WeakPolarHBondContact O-CG2 3.45Å; T320-V324 PolarHBondContact O-N 3.44Å; L321-V324 PolarHBondContact O-N 2.96Å; V324-N326 VanDerWaalsContact C-N 3.33Å; V324-N326 PolarHBondContact O-N 3.31Å; V324-S328 VanDerWaalsContact O-CB 3.28Å; V324-S328 WeakPolarHBondContact O-CB 3.45Å; V324-S328 PolarHBondContact O-N 3.46Å
325	V	95.9	Very high	90.4	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.006	28%	0.279	C	S	.	.	H	α-helix	trans	-63.9	-39.3	177.9	172.7	0	0	0	0	111.1	L255 F286 L321 H322 G323 T329 R337 T340 L341 I344	L255-V325 HydrophobicContact CD2-CG2 4.1Å; F286-V325 HydrophobicContact CZ-CG1 4.2Å; L321-V325 HydrophobicContact CD1-CG2 4.04Å; L321-V325 HydrophobicContact CG-CG2 4.38Å; L321-V325 WeakPolarHBondContact O-CB 3.35Å; L321-V325 VanDerWaalsContact O-CG2 3.27Å; L321-V325 WeakPolarHBondContact O-CG2 3.21Å; L321-V325 PolarHBondContact O-N 3.37Å; H322-V325 PolarHBondContact O-N 2.9Å; G323-V325 PolarHBondContact O-N 3.42Å; V325-T329 WeakPolarHBondContact O-CB 3.46Å; V325-T329 PolarHBondContact O-N 3.19Å; V325-T329 PolarHBondContact O-OG1 3.36Å; V325-R337 HydrophobicContact CG1-CG 4.49Å; V325-T340 HydrophobicContact CG1-CG2 4.43Å; V325-L341 HydrophobicContact CB-CD2 3.99Å; V325-L341 HydrophobicContact CG1-CD2 3.81Å; V325-L341 HydrophobicContact CG1-CG 4.23Å; V325-I344 HydrophobicContact CG2-CD1 4.31Å
326	N	95.3	Very high	90.2	Very high	76 Å²	76	51.5 Å²	51.5	41%	0.406	28%	0.282	S	S	.	.	H	α-helix	trans	-66.7	-45.6	-179.7	-175.1	47	0	0	0	112.3	H322 G323 V324 L341	H322-N326 VanDerWaalsContact O-CB 3.23Å; H322-N326 WeakPolarHBondContact O-CB 3.49Å; H322-N326 PolarHBondContact O-N 3.28Å; G323-N326 PolarHBondContact O-N 3.15Å; V324-N326 VanDerWaalsContact C-N 3.33Å; V324-N326 PolarHBondContact O-N 3.31Å; N326-L341 HydrophobicContact CB-CD1 4.14Å; N326-L341 HydrophobicContact CB-CD2 4.01Å
327	E	93.3	Very high	90	Very high	129 Å²	129	50.4 Å²	50.4	60%	0.603	27%	0.271	S	S	*	.	H	α-helix	trans	-77.7	-36.9	-176	-70.6	-179.9	-163.4	0	0	113.6	K275 G323	K275-E327 IonicContact NZ-OE2 2.74Å; K275-E327 PolarHBondContact NZ-OE2 3.05Å; G323-E327 WeakPolarHBondContact O-CG 3.47Å; G323-E327 PolarHBondContact O-N 3.44Å
328	S	93.1	Very high	89.9	Confident	6 Å²	6	58 Å²	58	4%	0.042	30%	0.3	C	S	.	.	H	α-helix	trans	-109.5	1	-165.2	-64	0	0	0	0	113.9	Q278 R279 V324	Q278-S328 WeakPolarHBondContact CB-OG 3.47Å; Q278-S328 PolarHBondContact OE1-OG 3.06Å; R279-S328 WeakPolarHBondContact CA-O 3.43Å; R279-S328 WeakPolarHBondContact CG-O 3.43Å; V324-S328 VanDerWaalsContact O-CB 3.28Å; V324-S328 WeakPolarHBondContact O-CB 3.45Å; V324-S328 PolarHBondContact O-N 3.46Å
329	T	89.6	Confident	89.7	Confident	8 Å²	8	62.1 Å²	62.1	5%	0.049	32%	0.319	C	S	.	.	S	Bend	trans	-80.2	123.6	170.7	-60.9	0	0	0	0	111.2	F286 V325 M333 R337	F286-T329 HydrophobicContact CE2-CG2 3.74Å; F286-T329 HydrophobicContact CZ-CG2 4.44Å; V325-T329 WeakPolarHBondContact O-CB 3.46Å; V325-T329 PolarHBondContact O-N 3.19Å; V325-T329 PolarHBondContact O-OG1 3.36Å; T329-M333 HydrophobicContact CG2-CB 4.09Å; T329-M333 HydrophobicContact CG2-CE 4.04Å; T329-R337 HydrophobicContact CG2-CB 3.9Å; T329-R337 HydrophobicContact CG2-CG 4.05Å
330	V	83	Confident	89.7	Confident	62 Å²	62	59.1 Å²	59.1	38%	0.376	30%	0.304	S	S	.	.			trans	-63.7	143.8	179.7	-174.2	0	0	0	0	111.2	L332 M333	V330-L332 PolarHBondContact O-N 3.33Å; V330-M333 PolarHBondContact O-N 3.37Å; V330-M333 VanDerWaalsContact O-N 3.09Å
331	C	68.4	Low	89.6	Confident	114 Å²	114	58.2 Å²	58.2	77%	0.77	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-54.9	-22.4	-173.6	-58.8	0	0	0	0	115.5	M333	C331-M333 PolarHBondContact O-N 2.91Å
332	L	66.2	Low	89.6	Confident	164 Å²	164	60.1 Å²	60.1	86%	0.859	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-67.6	-15.8	179.5	-68.2	170.4	0	0	0	113.5	V330	V330-L332 PolarHBondContact O-N 3.33Å
333	M	75.8	Confident	89.5	Confident	38 Å²	38	58.1 Å²	58.1	19%	0.187	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-113.8	41.4	-178.5	-62.4	-177.6	-63	0	0	111.6	F286 T329 V330 C331 H335 E336 R337	F286-M333 HydrophobicContact CB-SD 4.04Å; F286-M333 HydrophobicContact CD2-CE 3.63Å; F286-M333 HydrophobicContact CD2-SD 3.83Å; F286-M333 HydrophobicContact CE2-CE 4.23Å; F286-M333 HydrophobicContact CG-SD 4.2Å; T329-M333 HydrophobicContact CG2-CB 4.09Å; T329-M333 HydrophobicContact CG2-CE 4.04Å; V330-M333 PolarHBondContact O-N 3.37Å; V330-M333 VanDerWaalsContact O-N 3.09Å; C331-M333 PolarHBondContact O-N 2.91Å; M333-H335 VanDerWaalsContact C-N 3.34Å; M333-H335 PolarHBondContact O-N 3.32Å; M333-E336 VanDerWaalsContact CA-OE2 3.28Å; M333-E336 WeakPolarHBondContact CA-OE2 3.4Å; M333-E336 HydrophobicContact CB-CB 4.46Å; M333-R337 WeakPolarHBondContact O-CB 3.47Å; M333-R337 PolarHBondContact O-N 3.31Å
334	G	82.3	Confident	89.6	Confident	16 Å²	16	57 Å²	57	17%	0.165	30%	0.298	C	S	.	.	H	α-helix	trans	-67.4	-29.9	-171.7	0	0	0	0	0	114.5	R338	G334-R338 WeakPolarHBondContact O-CG 3.41Å; G334-R338 PolarHBondContact O-N 3.32Å; G334-R338 PolarHBondContact O-NE 3.46Å
335	H	87.9	Confident	89.6	Confident	108 Å²	108	58.4 Å²	58.4	50%	0.5	31%	0.31	S	S	.	.	H	α-helix	trans	-76.9	-50.6	178.7	-179.9	78.6	0	0	0	110.9	M333 R337 R338 Q339	M333-H335 VanDerWaalsContact C-N 3.34Å; M333-H335 PolarHBondContact O-N 3.32Å; H335-R337 VanDerWaalsContact C-N 3.27Å; H335-R337 PolarHBondContact O-N 2.99Å; H335-R338 PolarHBondContact O-N 2.85Å; H335-Q339 VanDerWaalsContact NE2-CD 3.27Å; H335-Q339 PolarHBondContact NE2-NE2 3.23Å; H335-Q339 VanDerWaalsContact NE2-NE2 3.13Å; H335-Q339 PolarHBondContact NE2-OE1 3.36Å; H335-Q339 PolarHBondContact O-N 3.44Å
336	E	89.3	Confident	89.6	Confident	78 Å²	78	62.4 Å²	62.4	36%	0.364	33%	0.33	S	S	.	.	H	α-helix	trans	-57.3	-43.3	176.6	-59.6	82.2	175	0	0	110.1	F286 M333 R338 Q339 T340	F286-E336 HydrophobicContact CD1-CB 4.47Å; M333-E336 VanDerWaalsContact CA-OE2 3.28Å; M333-E336 WeakPolarHBondContact CA-OE2 3.4Å; M333-E336 HydrophobicContact CB-CB 4.46Å; E336-R338 PolarHBondContact O-N 2.92Å; E336-Q339 PolarHBondContact O-N 2.94Å; E336-T340 WeakPolarHBondContact O-CB 3.26Å; E336-T340 PolarHBondContact O-N 2.99Å; E336-T340 PolarHBondContact O-OG1 3.37Å
337	R	92.2	Very high	89.6	Confident	65 Å²	65	59 Å²	59	25%	0.245	31%	0.312	C	S	.	.	H	α-helix	trans	-55.1	-51.9	173.1	-174.2	177.3	69.9	177.1	-0.3	111.6	V325 T329 M333 H335 Q339 T340 L341	V325-R337 HydrophobicContact CG1-CG 4.49Å; T329-R337 HydrophobicContact CG2-CB 3.9Å; T329-R337 HydrophobicContact CG2-CG 4.05Å; M333-R337 WeakPolarHBondContact O-CB 3.47Å; M333-R337 PolarHBondContact O-N 3.31Å; H335-R337 VanDerWaalsContact C-N 3.27Å; H335-R337 PolarHBondContact O-N 2.99Å; R337-Q339 PolarHBondContact O-N 3.38Å; R337-T340 PolarHBondContact O-N 3.49Å; R337-L341 HydrophobicContact CG-CD1 3.83Å; R337-L341 HydrophobicContact CG-CG 4.27Å; R337-L341 WeakPolarHBondContact O-CB 3.21Å; R337-L341 WeakPolarHBondContact O-CG 3.3Å; R337-L341 PolarHBondContact O-N 3.26Å
338	R	93.7	Very high	89.7	Confident	160 Å²	160	53 Å²	53	60%	0.604	28%	0.284	S	S	*	.	H	α-helix	trans	-63.6	-41.3	-178.4	-77	-175.5	-64.9	-106.2	-3.4	112.3	G334 H335 E336 G342	G334-R338 WeakPolarHBondContact O-CG 3.41Å; G334-R338 PolarHBondContact O-N 3.32Å; G334-R338 PolarHBondContact O-NE 3.46Å; H335-R338 PolarHBondContact O-N 2.85Å; E336-R338 PolarHBondContact O-N 2.92Å; R338-G342 PolarHBondContact O-N 3.47Å
339	Q	94.7	Very high	89.7	Confident	87 Å²	87	57.3 Å²	57.3	41%	0.407	31%	0.31	S	S	.	.	H	α-helix	trans	-61.6	-46	176.3	-71.8	-177.9	-42.6	0	0	111.4	I292 H335 E336 R337 G342 L343	I292-Q339 HydrophobicContact CD1-CB 4.1Å; H335-Q339 VanDerWaalsContact NE2-CD 3.27Å; H335-Q339 PolarHBondContact NE2-NE2 3.23Å; H335-Q339 VanDerWaalsContact NE2-NE2 3.13Å; H335-Q339 PolarHBondContact NE2-OE1 3.36Å; H335-Q339 PolarHBondContact O-N 3.44Å; E336-Q339 PolarHBondContact O-N 2.94Å; R337-Q339 PolarHBondContact O-N 3.38Å; Q339-G342 PolarHBondContact O-N 3.26Å; Q339-L343 PolarHBondContact O-N 3.37Å
340	T	95.6	Very high	89.8	Confident	1 Å²	1	63 Å²	63	1%	0.006	33%	0.33	C	S	.	.	H	α-helix	trans	-66.5	-43.5	-179.5	-51.1	0	0	0	0	111.8	F285 F286 Q295 V325 E336 R337 G342 L343 I344	F285-T340 HydrophobicContact CE1-CG2 4.3Å; F286-T340 HydrophobicContact CE1-CG2 4.14Å; F286-T340 VanDerWaalsContact CE1-OG1 3.3Å; F286-T340 WeakPolarHBondContact CE1-OG1 3.48Å; F286-T340 HydrophobicContact CZ-CG2 4.48Å; Q295-T340 PolarHBondContact OE1-OG1 2.9Å; V325-T340 HydrophobicContact CG1-CG2 4.43Å; E336-T340 WeakPolarHBondContact O-CB 3.26Å; E336-T340 PolarHBondContact O-N 2.99Å; E336-T340 PolarHBondContact O-OG1 3.37Å; R337-T340 PolarHBondContact O-N 3.49Å; T340-G342 VanDerWaalsContact C-N 3.32Å; T340-G342 PolarHBondContact O-N 2.97Å; T340-L343 WeakPolarHBondContact O-CB 3.46Å; T340-L343 PolarHBondContact O-N 2.86Å; T340-I344 HydrophobicContact CG2-CD1 3.96Å; T340-I344 VanDerWaalsContact O-CG1 3.26Å; T340-I344 WeakPolarHBondContact O-CG1 3.36Å; T340-I344 PolarHBondContact O-N 3.11Å
341	L	96.7	Very high	90.2	Very high	19 Å²	19	60.3 Å²	60.3	10%	0.099	31%	0.314	C	S	.	.	H	α-helix	trans	-61.7	-41.8	174.7	-68.8	175.2	0	0	0	111.3	H322 V325 N326 R337 I344 A345	H322-L341 WeakPolarHBondContact O-CD2 3.39Å; V325-L341 HydrophobicContact CB-CD2 3.99Å; V325-L341 HydrophobicContact CG1-CD2 3.81Å; V325-L341 HydrophobicContact CG1-CG 4.23Å; N326-L341 HydrophobicContact CB-CD1 4.14Å; N326-L341 HydrophobicContact CB-CD2 4.01Å; R337-L341 HydrophobicContact CG-CD1 3.83Å; R337-L341 HydrophobicContact CG-CG 4.27Å; R337-L341 WeakPolarHBondContact O-CB 3.21Å; R337-L341 WeakPolarHBondContact O-CG 3.3Å; R337-L341 PolarHBondContact O-N 3.26Å; L341-I344 PolarHBondContact O-N 2.88Å; L341-A345 WeakPolarHBondContact O-CB 3.36Å; L341-A345 PolarHBondContact O-N 2.92Å
342	G	97.1	Very high	91.1	Very high	43 Å²	43	56.5 Å²	56.5	44%	0.443	29%	0.286	S	S	.	.	H	α-helix	trans	-61.2	-42.8	174.1	0	0	0	0	0	112.9	R338 Q339 T340 A345 M346	R338-G342 PolarHBondContact O-N 3.47Å; Q339-G342 PolarHBondContact O-N 3.26Å; T340-G342 VanDerWaalsContact C-N 3.32Å; T340-G342 PolarHBondContact O-N 2.97Å; G342-A345 PolarHBondContact O-N 2.7Å; G342-M346 WeakPolarHBondContact O-CB 3.4Å; G342-M346 PolarHBondContact O-N 3.45Å
343	L	97.2	Very high	92.1	Very high	12 Å²	12	50.6 Å²	50.6	6%	0.063	26%	0.261	C	S	.	.	H	α-helix	trans	-60.6	-49.4	174.2	167.8	63.2	0	0	0	111.7	I292 Q295 Q296 L299 Q339 T340 A345 M346 L347	I292-L343 HydrophobicContact CD1-CB 3.99Å; I292-L343 HydrophobicContact CD1-CD2 3.64Å; I292-L343 HydrophobicContact CD1-CG 4.43Å; I292-L343 HydrophobicContact CG1-CD2 4.3Å; Q295-L343 HydrophobicContact CB-CD2 3.95Å; Q296-L343 HydrophobicContact CB-CD1 3.78Å; Q296-L343 HydrophobicContact CB-CD2 3.98Å; Q296-L343 HydrophobicContact CG-CD1 3.88Å; L299-L343 HydrophobicContact CD1-CD2 4.1Å; L299-L343 HydrophobicContact CD1-CG 4.38Å; Q339-L343 PolarHBondContact O-N 3.37Å; T340-L343 WeakPolarHBondContact O-CB 3.46Å; T340-L343 PolarHBondContact O-N 2.86Å; L343-A345 VanDerWaalsContact C-N 3.32Å; L343-A345 PolarHBondContact O-N 2.91Å; L343-M346 HydrophobicContact CD1-CE 3.85Å; L343-M346 PolarHBondContact O-N 3.4Å; L343-L347 HydrophobicContact CD1-CD1 4.11Å; L343-L347 HydrophobicContact CD1-CG 4.19Å; L343-L347 HydrophobicContact CG-CD1 4.38Å; L343-L347 WeakPolarHBondContact O-CG 3.11Å; L343-L347 PolarHBondContact O-N 2.98Å
344	I	97.6	Very high	92.5	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-61.5	-43.3	179.8	-64.9	161.4	0	0	0	110.5	L299 L318 L321 H322 V325 T340 L341 L347 A348	L299-I344 HydrophobicContact CD1-CG1 4.05Å; L318-I344 HydrophobicContact CB-CG2 4.09Å; L318-I344 HydrophobicContact CD2-CG2 4.07Å; L318-I344 WeakPolarHBondContact O-CG2 3.49Å; L321-I344 HydrophobicContact CD2-CD1 3.97Å; L321-I344 HydrophobicContact CD2-CG1 4.15Å; L321-I344 HydrophobicContact CG-CD1 3.87Å; H322-I344 HydrophobicContact CB-CG2 3.83Å; V325-I344 HydrophobicContact CG2-CD1 4.31Å; T340-I344 HydrophobicContact CG2-CD1 3.96Å; T340-I344 VanDerWaalsContact O-CG1 3.26Å; T340-I344 WeakPolarHBondContact O-CG1 3.36Å; T340-I344 PolarHBondContact O-N 3.11Å; L341-I344 PolarHBondContact O-N 2.88Å; I344-L347 PolarHBondContact O-N 3.25Å; I344-A348 WeakPolarHBondContact O-CB 3.44Å; I344-A348 PolarHBondContact O-N 3.22Å
345	A	96.4	Very high	92.3	Very high	38 Å²	38	55.7 Å²	55.7	31%	0.314	28%	0.28	S	S	.	.	H	α-helix	trans	-62.5	-43.2	177.3	0	0	0	0	0	112	L341 G342 L343 A348 V349	L341-A345 WeakPolarHBondContact O-CB 3.36Å; L341-A345 PolarHBondContact O-N 2.92Å; G342-A345 PolarHBondContact O-N 2.7Å; L343-A345 VanDerWaalsContact C-N 3.32Å; L343-A345 PolarHBondContact O-N 2.91Å; A345-A348 PolarHBondContact O-N 2.87Å; A345-V349 WeakPolarHBondContact O-CG2 3.28Å; A345-V349 PolarHBondContact O-N 2.95Å
346	M	96.5	Very high	91.3	Very high	85 Å²	85	57.8 Å²	57.8	42%	0.419	30%	0.295	S	S	.	.	H	α-helix	trans	-60.3	-46.8	175.6	179.5	-80.4	-68.5	0	0	111.6	G342 L343 A348 V349 R350	G342-M346 WeakPolarHBondContact O-CB 3.4Å; G342-M346 PolarHBondContact O-N 3.45Å; L343-M346 HydrophobicContact CD1-CE 3.85Å; L343-M346 PolarHBondContact O-N 3.4Å; M346-A348 VanDerWaalsContact C-N 3.28Å; M346-A348 PolarHBondContact O-N 3.09Å; M346-V349 PolarHBondContact O-N 2.99Å; M346-R350 PolarHBondContact O-N 2.82Å
347	L	95.8	Very high	89.8	Confident	6 Å²	6	58.1 Å²	58.1	3%	0.031	30%	0.302	C	S	.	.	H	α-helix	trans	-61.3	-38.3	176.4	-70.7	176	0	0	0	111.7	L299 E300 L318 L343 I344 R350 V351	L299-L347 HydrophobicContact CB-CD1 3.87Å; L299-L347 HydrophobicContact CD1-CD1 4.06Å; E300-L347 HydrophobicContact CG-CD2 3.99Å; L318-L347 HydrophobicContact CD1-CB 4Å; L318-L347 HydrophobicContact CD2-CB 4.35Å; L343-L347 HydrophobicContact CD1-CD1 4.11Å; L343-L347 HydrophobicContact CD1-CG 4.19Å; L343-L347 HydrophobicContact CG-CD1 4.38Å; L343-L347 WeakPolarHBondContact O-CG 3.11Å; L343-L347 PolarHBondContact O-N 2.98Å; I344-L347 PolarHBondContact O-N 3.25Å; L347-R350 WeakPolarHBondContact O-CB 3.41Å; L347-R350 PolarHBondContact O-N 2.98Å; L347-V351 WeakPolarHBondContact O-CG2 3.28Å; L347-V351 PolarHBondContact O-N 3Å
348	A	94.5	Very high	87.8	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.008	31%	0.313	C	S	.	.	H	α-helix	trans	-67.9	-40.5	179.1	0	0	0	0	0	112.5	Y315 L318 M319 I344 A345 M346 R350 V351 L352	Y315-A348 HydrophobicContact CD2-CB 3.97Å; Y315-A348 HydrophobicContact CE2-CB 4.06Å; L318-A348 HydrophobicContact CB-CB 4.01Å; L318-A348 HydrophobicContact CD1-CB 4.02Å; M319-A348 HydrophobicContact CE-CB 3.22Å; I344-A348 WeakPolarHBondContact O-CB 3.44Å; I344-A348 PolarHBondContact O-N 3.22Å; A345-A348 PolarHBondContact O-N 2.87Å; M346-A348 VanDerWaalsContact C-N 3.28Å; M346-A348 PolarHBondContact O-N 3.09Å; A348-R350 VanDerWaalsContact C-N 3.31Å; A348-R350 PolarHBondContact O-N 3.27Å; A348-V351 PolarHBondContact O-N 2.95Å; A348-L352 WeakPolarHBondContact O-CG 3.49Å; A348-L352 PolarHBondContact O-N 3.3Å
349	V	92.9	Very high	85.7	Confident	97 Å²	97	56.1 Å²	56.1	59%	0.588	31%	0.312	S	S	*	.	H	α-helix	trans	-62.8	-40.2	173.4	172.2	0	0	0	0	110.9	A345 M346 L352 A353	A345-V349 WeakPolarHBondContact O-CG2 3.28Å; A345-V349 PolarHBondContact O-N 2.95Å; M346-V349 PolarHBondContact O-N 2.99Å; V349-L352 PolarHBondContact O-N 2.9Å; V349-A353 PolarHBondContact O-N 3Å
350	R	92.4	Very high	83.4	Confident	127 Å²	127	57.7 Å²	57.7	48%	0.479	32%	0.323	S	S	.	.	H	α-helix	trans	-60.8	-45.3	175.2	180	-179.9	172.5	175.7	2.9	111.9	E300 M346 L347 A348 L352 A353 E354	E300-R350 IonicContact OE1-NH1 3.48Å; M346-R350 PolarHBondContact O-N 2.82Å; L347-R350 WeakPolarHBondContact O-CB 3.41Å; L347-R350 PolarHBondContact O-N 2.98Å; A348-R350 VanDerWaalsContact C-N 3.31Å; A348-R350 PolarHBondContact O-N 3.27Å; R350-L352 VanDerWaalsContact C-N 3.34Å; R350-L352 PolarHBondContact O-N 3.47Å; R350-A353 WeakPolarHBondContact O-CB 3.41Å; R350-A353 PolarHBondContact O-N 3.46Å; R350-E354 HydrophobicContact CG-CG 4.49Å; R350-E354 WeakPolarHBondContact CG-OE1 3.41Å; R350-E354 IonicContact CZ-OE1 3.54Å; R350-E354 IonicContact NE-OE1 3.63Å; R350-E354 PolarHBondContact NE-OE1 3.33Å; R350-E354 IonicContact NH2-OE1 3.92Å; R350-E354 WeakPolarHBondContact O-CG 3.35Å; R350-E354 PolarHBondContact O-N 3.34Å
351	V	90.6	Very high	81.2	Confident	7 Å²	7	62.3 Å²	62.3	4%	0.042	35%	0.351	C	S	.	.	H	α-helix	trans	-59.6	-43.8	176.2	168.3	0	0	0	0	111.3	K314 L318 L347 A348 A353 E354 Q355	K314-V351 HydrophobicContact CB-CG1 3.73Å; K314-V351 HydrophobicContact CB-CG2 4.07Å; K314-V351 HydrophobicContact CD-CG2 4.35Å; L318-V351 HydrophobicContact CD1-CG2 4.05Å; L347-V351 WeakPolarHBondContact O-CG2 3.28Å; L347-V351 PolarHBondContact O-N 3Å; A348-V351 PolarHBondContact O-N 2.95Å; V351-A353 VanDerWaalsContact C-N 3.32Å; V351-A353 PolarHBondContact O-N 3.07Å; V351-E354 PolarHBondContact O-N 3.27Å; V351-Q355 VanDerWaalsContact O-CG 3.32Å; V351-Q355 WeakPolarHBondContact O-CG 3.46Å; V351-Q355 PolarHBondContact O-N 2.96Å
352	L	88.5	Confident	79	Confident	34 Å²	34	65.1 Å²	65.1	18%	0.178	38%	0.377	C	S	.	.	H	α-helix	trans	-61.9	-40	175.7	-72.4	175.8	0	0	0	112.5	Y315 A348 V349 R350 Q355 N356 V357	Y315-L352 HydrophobicContact CD2-CD1 3.87Å; Y315-L352 HydrophobicContact CD2-CD2 3.83Å; Y315-L352 HydrophobicContact CD2-CG 3.63Å; Y315-L352 HydrophobicContact CE2-CD1 3.51Å; Y315-L352 HydrophobicContact CE2-CD2 4.18Å; Y315-L352 HydrophobicContact CE2-CG 3.85Å; Y315-L352 HydrophobicContact CG-CD2 4.1Å; Y315-L352 HydrophobicContact CG-CG 4.38Å; A348-L352 WeakPolarHBondContact O-CG 3.49Å; A348-L352 PolarHBondContact O-N 3.3Å; V349-L352 PolarHBondContact O-N 2.9Å; R350-L352 VanDerWaalsContact C-N 3.34Å; R350-L352 PolarHBondContact O-N 3.47Å; L352-Q355 PolarHBondContact O-N 3.36Å; L352-N356 PolarHBondContact O-N 3.39Å; L352-V357 HydrophobicContact CD2-CB 4.36Å; L352-V357 HydrophobicContact CD2-CG1 4.44Å; L352-V357 CarbonylContact O-C 3.41Å; L352-V357 PolarHBondContact O-N 2.91Å
353	A	86.5	Confident	76.6	Confident	40 Å²	40	69.8 Å²	69.8	33%	0.331	39%	0.392	S	S	.	.	H	α-helix	trans	-65.1	-43	176.5	0	0	0	0	0	112.2	V349 R350 V351 Q355 N356 I358	V349-A353 PolarHBondContact O-N 3Å; R350-A353 WeakPolarHBondContact O-CB 3.41Å; R350-A353 PolarHBondContact O-N 3.46Å; V351-A353 VanDerWaalsContact C-N 3.32Å; V351-A353 PolarHBondContact O-N 3.07Å; A353-Q355 VanDerWaalsContact C-N 3.25Å; A353-Q355 PolarHBondContact O-N 2.92Å; A353-N356 PolarHBondContact O-N 2.84Å; A353-N356 VanDerWaalsContact O-N 3.15Å; A353-I358 HydrophobicContact CB-CD1 4.02Å; A353-I358 HydrophobicContact CB-CG1 4.11Å
354	E	84.7	Confident	74	Confident	111 Å²	111	73 Å²	73	52%	0.519	41%	0.412	S	S	.	.	H	α-helix	trans	-63.7	-30.9	176.6	-72.3	172.5	-175.5	0	0	112.2	R350 V351 N356	R350-E354 HydrophobicContact CG-CG 4.49Å; R350-E354 WeakPolarHBondContact CG-OE1 3.41Å; R350-E354 IonicContact CZ-OE1 3.54Å; R350-E354 IonicContact NE-OE1 3.63Å; R350-E354 PolarHBondContact NE-OE1 3.33Å; R350-E354 IonicContact NH2-OE1 3.92Å; R350-E354 WeakPolarHBondContact O-CG 3.35Å; R350-E354 PolarHBondContact O-N 3.34Å; V351-E354 PolarHBondContact O-N 3.27Å; E354-N356 VanDerWaalsContact C-N 3.28Å; E354-N356 PolarHBondContact O-N 3.37Å
355	Q	77.1	Confident	71.6	Confident	50 Å²	50	77.7 Å²	77.7	23%	0.234	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	0.3	177	-69.5	173.2	-4.6	0	0	114	E311 V351 L352 A353 V357	E311-Q355 PolarHBondContact O-NE2 2.91Å; V351-Q355 VanDerWaalsContact O-CG 3.32Å; V351-Q355 WeakPolarHBondContact O-CG 3.46Å; V351-Q355 PolarHBondContact O-N 2.96Å; L352-Q355 PolarHBondContact O-N 3.36Å; A353-Q355 VanDerWaalsContact C-N 3.25Å; A353-Q355 PolarHBondContact O-N 2.92Å; Q355-V357 HydrophobicContact CB-CB 4.42Å; Q355-V357 HydrophobicContact CB-CG2 3.94Å; Q355-V357 PolarHBondContact O-N 3.41Å
356	N	66.9	Low	69.1	Low	151 Å²	151	81 Å²	81	81%	0.807	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	17.6	-168	-72	-32.1	0	0	0	113.8	L352 A353 E354 I358	L352-N356 PolarHBondContact O-N 3.39Å; A353-N356 PolarHBondContact O-N 2.84Å; A353-N356 VanDerWaalsContact O-N 3.15Å; E354-N356 VanDerWaalsContact C-N 3.28Å; E354-N356 PolarHBondContact O-N 3.37Å; N356-I358 PolarHBondContact O-N 3.49Å
357	V	58.2	Low	66.5	Low	86 Å²	86	87 Å²	87	52%	0.521	48%	0.48	S	S	.	.			trans	-93.6	48.1	170.8	-167.8	0	0	0	0	107.8	L352 Q355 P359	L352-V357 HydrophobicContact CD2-CB 4.36Å; L352-V357 HydrophobicContact CD2-CG1 4.44Å; L352-V357 CarbonylContact O-C 3.41Å; L352-V357 PolarHBondContact O-N 2.91Å; Q355-V357 HydrophobicContact CB-CB 4.42Å; Q355-V357 HydrophobicContact CB-CG2 3.94Å; Q355-V357 PolarHBondContact O-N 3.41Å; V357-P359 WeakPolarHBondContact O-CD 3.18Å
358	I	49.5	Very low	64.1	Low	93 Å²	93	96.1 Å²	96.1	48%	0.477	52%	0.515	S	S	.	.			trans	-74.7	114.7	163.5	-56	178.5	0	0	0	104.4	A353 N356 N360 V361	A353-I358 HydrophobicContact CB-CD1 4.02Å; A353-I358 HydrophobicContact CB-CG1 4.11Å; N356-I358 PolarHBondContact O-N 3.49Å; I358-N360 PolarHBondContact O-N 3.24Å; I358-V361 HydrophobicContact CG2-CG2 3.84Å
359	P	49.4	Very low	61.5	Low	89 Å²	89	104.5 Å²	104.5	58%	0.578	55%	0.554	S	S	*	*			trans	-55.4	120.5	167.6	22.5	-29.4	0	0	0	106.1	V357 V361	V357-P359 WeakPolarHBondContact O-CD 3.18Å; P359-V361 PolarHBondContact O-N 3.27Å
360	N	46.5	Very low	59.4	Low	120 Å²	120	103.7 Å²	103.7	64%	0.642	55%	0.551	S	S	*	*			trans	-42.3	107.7	-179	-178.2	3.6	0	0	0	109.2	I358 A362 N363	I358-N360 PolarHBondContact O-N 3.24Å; N360-A362 PolarHBondContact O-N 3.33Å; N360-A362 WeakPolarHBondContact OD1-CB 3.19Å; N360-A362 PolarHBondContact OD1-N 3.12Å; N360-N363 PolarHBondContact O-N 3.16Å; N360-N363 VanDerWaalsContact O-N 3.16Å
361	V	49.3	Very low	57.1	Low	99 Å²	99	99.1 Å²	99.1	60%	0.6	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-66.2	-6.5	-172.1	-146.4	0	0	0	0	111.2	I358 P359 N363 V364	I358-V361 HydrophobicContact CG2-CG2 3.84Å; P359-V361 PolarHBondContact O-N 3.27Å; V361-N363 PolarHBondContact O-N 2.94Å; V361-N363 VanDerWaalsContact O-N 3.12Å; V361-V364 HydrophobicContact CG1-CB 4.16Å; V361-V364 HydrophobicContact CG1-CG2 4.26Å; V361-V364 PolarHBondContact O-N 3.11Å
362	A	52	Low	55.1	Low	77 Å²	77	105.1 Å²	105.1	64%	0.636	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-54	-24.4	168.6	0	0	0	0	0	113.6	N360	N360-A362 PolarHBondContact O-N 3.33Å; N360-A362 WeakPolarHBondContact OD1-CB 3.19Å; N360-A362 PolarHBondContact OD1-N 3.12Å
363	N	45.7	Very low	53.5	Low	142 Å²	142	112.5 Å²	112.5	76%	0.759	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-115.2	5.7	-177.6	-67.4	-8.7	0	0	0	114.8	N360 V361 T365	N360-N363 PolarHBondContact O-N 3.16Å; N360-N363 VanDerWaalsContact O-N 3.16Å; V361-N363 PolarHBondContact O-N 2.94Å; V361-N363 VanDerWaalsContact O-N 3.12Å; N363-T365 PolarHBondContact O-N 3.09Å
364	V	43.6	Very low	51.7	Low	78 Å²	78	113.8 Å²	113.8	47%	0.473	61%	0.61	S	S	.	*			trans	-86.3	95.3	175.4	-177.8	0	0	0	0	108.6	V361 C366	V361-V364 HydrophobicContact CG1-CB 4.16Å; V361-V364 HydrophobicContact CG1-CG2 4.26Å; V361-V364 PolarHBondContact O-N 3.11Å; V364-C366 PolarHBondContact O-N 3.46Å; V364-C366 VanDerWaalsContact O-N 3.11Å
365	T	45.9	Very low	50	Low	100 Å²	100	112.9 Å²	112.9	61%	0.613	62%	0.621	S	S	*	*			trans	-75.1	97.2	170.3	-36.3	0	0	0	0	108.7	N363 Y367	N363-T365 PolarHBondContact O-N 3.09Å; T365-Y367 HydrophobicContact CG2-CE2 4.36Å; T365-Y367 PolarHBondContact O-N 3.13Å; T365-Y367 VanDerWaalsContact O-N 3.09Å
366	C	44.5	Very low	48.4	Very low	109 Å²	109	117 Å²	117	74%	0.736	65%	0.645	S	S	*	*			trans	-68.7	102.8	170	-63.9	0	0	0	0	109	V364 Y368	V364-C366 PolarHBondContact O-N 3.46Å; V364-C366 VanDerWaalsContact O-N 3.11Å; C366-Y368 VanDerWaalsContact C-N 3.28Å; C366-Y368 PolarHBondContact O-N 3.26Å
367	Y	40.9	Very low	47.7	Very low	211 Å²	211	113.9 Å²	113.9	83%	0.827	65%	0.648	S	S	*	*			trans	-73.1	88.2	166.8	-71.3	-82.3	0	0	0	108.6	T365 Q369	T365-Y367 HydrophobicContact CG2-CE2 4.36Å; T365-Y367 PolarHBondContact O-N 3.13Å; T365-Y367 VanDerWaalsContact O-N 3.09Å; Y367-Q369 PolarHBondContact O-N 3.04Å
368	Y	45.4	Very low	47.2	Very low	196 Å²	196	116.9 Å²	116.9	77%	0.769	66%	0.661	S	S	*	*			trans	-68.8	108.8	165.2	-163.5	-95.8	0	0	0	107.2	C366 P370	C366-Y368 VanDerWaalsContact C-N 3.28Å; C366-Y368 PolarHBondContact O-N 3.26Å; Y368-P370 WeakPolarHBondContact O-CD 3.2Å
369	Q	41.7	Very low	46.9	Very low	178 Å²	178	120.8 Å²	120.8	83%	0.832	68%	0.675	S	S	*	*			trans	-70.3	112.7	162.7	-99.9	-175.3	-37.4	0	0	106.8	Y367	Y367-Q369 PolarHBondContact O-N 3.04Å
370	P	48.5	Very low	46.5	Very low	80 Å²	80	121.7 Å²	121.7	52%	0.519	68%	0.684	S	S	.	*			trans	-64	146.8	178.8	27.1	-32.1	0	0	0	109.7	Y368 V374	Y368-P370 WeakPolarHBondContact O-CD 3.2Å; P370-V374 HydrophobicContact CB-CB 3.97Å; P370-V374 HydrophobicContact CB-CG1 4.28Å; P370-V374 HydrophobicContact CB-CG2 4.11Å
371	A	43	Very low	46	Very low	31 Å²	31	123.5 Å²	123.5	26%	0.256	69%	0.693	S	S	.	*			trans	-55.2	151.4	178.4	0	0	0	0	0	111.2	Y373 V374	A371-Y373 HydrophobicContact CB-CD1 3.83Å; A371-Y373 HydrophobicContact CB-CE1 3.32Å; A371-Y373 PolarHBondContact O-N 2.95Å; A371-V374 WeakPolarHBondContact O-CG2 3.38Å; A371-V374 PolarHBondContact O-N 3.18Å
372	P	49.3	Very low	45.6	Very low	132 Å²	132	129.1 Å²	129.1	86%	0.857	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.4	-13.1	-167.3	-24.9	33.1	0	0	0	116.5
373	Y	54.5	Low	45	Very low	189 Å²	189	136.4 Å²	136.4	74%	0.741	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-0.1	-179.5	60.4	-97.9	0	0	0	114.2	A371 A375	A371-Y373 HydrophobicContact CB-CD1 3.83Å; A371-Y373 HydrophobicContact CB-CE1 3.32Å; A371-Y373 PolarHBondContact O-N 2.95Å; Y373-A375 PolarHBondContact O-N 3.22Å
374	V	48.2	Very low	44.6	Very low	68 Å²	68	136.2 Å²	136.2	41%	0.412	72%	0.716	S	S	.	*			trans	-90.3	20.5	-178	-165.7	0	0	0	0	112.1	P370 A371 D376	P370-V374 HydrophobicContact CB-CB 3.97Å; P370-V374 HydrophobicContact CB-CG1 4.28Å; P370-V374 HydrophobicContact CB-CG2 4.11Å; A371-V374 WeakPolarHBondContact O-CG2 3.38Å; A371-V374 PolarHBondContact O-N 3.18Å; V374-D376 PolarHBondContact O-N 3.25Å
375	A	49.5	Very low	44.2	Very low	91 Å²	91	136.6 Å²	136.6	75%	0.752	73%	0.727	S	S	*	*			trans	-79.8	8.2	178.1	0	0	0	0	0	114.1	Y373 G377	Y373-A375 PolarHBondContact O-N 3.22Å; A375-G377 PolarHBondContact O-N 2.98Å
376	D	42.7	Very low	43.6	Very low	138 Å²	138	140.5 Å²	140.5	74%	0.738	74%	0.738	S	S	*	*			trans	-86.3	110.1	176	-78.1	-26	0	0	0	110.6	V374 N378	V374-D376 PolarHBondContact O-N 3.25Å; D376-N378 PolarHBondContact O-N 3.36Å
377	G	53.7	Low	43.3	Very low	85 Å²	85	142 Å²	142	88%	0.876	74%	0.743	S	S	*	*	S	Bend	trans	-70.4	56.5	-171.3	0	0	0	0	0	115.8	A375	A375-G377 PolarHBondContact O-N 2.98Å
378	N	48.3	Very low	42.9	Very low	148 Å²	148	139.6 Å²	139.6	79%	0.791	74%	0.74	S	S	*	*			trans	-144.2	36.4	174.7	-136.3	13.1	0	0	0	115.2	D376	D376-N378 PolarHBondContact O-N 3.36Å
379	F	41.3	Very low	42.5	Very low	176 Å²	176	135.4 Å²	135.4	77%	0.772	74%	0.737	S	S	*	*			trans	-104.4	73.6	171.8	-93.4	-91.2	0	0	0	111.6
380	S	41.2	Very low	42.1	Very low	108 Å²	108	133.9 Å²	133.9	76%	0.755	74%	0.739	S	S	*	*			trans	-93.6	84.1	160.3	-71.6	0	0	0	0	108.6
381	N	36.6	Very low	41.4	Very low	158 Å²	158	138.9 Å²	138.9	85%	0.845	75%	0.753	S	S	*	*			trans	-171.6	80.7	160.9	-89.7	-29.6	0	0	0	109.2
382	Y	40.3	Very low	40.9	Very low	217 Å²	217	141.5 Å²	141.5	85%	0.851	78%	0.775	S	S	*	*			trans	-79	120.6	164.9	-77.2	-84.8	0	0	0	109	I384	Y382-I384 PolarHBondContact O-N 3.36Å
383	Y	39.7	Very low	40	Very low	229 Å²	229	142 Å²	142	90%	0.898	78%	0.78	S	S	*	*			trans	-75.4	106.7	158	-132.9	-92.3	0	0	0	106.9	A385	Y383-A385 PolarHBondContact O-N 3.37Å
384	I	38.2	Very low	38.9	Very low	139 Å²	139	141.5 Å²	141.5	71%	0.713	78%	0.784	S	S	*	*			trans	-79.2	107.6	166.3	-61.6	176	0	0	0	106	Y382 Q386	Y382-I384 PolarHBondContact O-N 3.36Å; I384-Q386 HydrophobicContact CG2-CG 4.37Å; I384-Q386 PolarHBondContact O-N 3.29Å
385	A	35.3	Very low	38.4	Very low	86 Å²	86	147.3 Å²	147.3	71%	0.711	81%	0.807	S	S	*	*			trans	-69.1	96.5	168.8	0	0	0	0	0	108.6	Y383 V387	Y383-A385 PolarHBondContact O-N 3.37Å; A385-V387 PolarHBondContact O-N 2.83Å
386	Q	33	Very low	37.7	Very low	181 Å²	181	148.8 Å²	148.8	85%	0.846	81%	0.809	S	S	*	*			trans	-71.2	109.9	166.9	-74.8	-170.1	-24.9	0	0	108.5	I384 Q388	I384-Q386 HydrophobicContact CG2-CG 4.37Å; I384-Q386 PolarHBondContact O-N 3.29Å; Q386-Q388 PolarHBondContact O-N 3.05Å
387	V	38.4	Very low	37.3	Very low	140 Å²	140	146.2 Å²	146.2	85%	0.848	81%	0.806	S	S	*	*			trans	-70.6	108.8	172.1	-176.7	0	0	0	0	107.9	A385	A385-V387 PolarHBondContact O-N 2.83Å
388	Q	31.1	Very low	36.3	Very low	161 Å²	161	153.4 Å²	153.4	75%	0.752	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-68.9	137.8	171	-101.4	-179.5	-23.5	0	0	110.3	Q386	Q386-Q388 PolarHBondContact O-N 3.05Å
389	P	37.2	Very low	35.6	Very low	109 Å²	109	151.1 Å²	151.1	71%	0.708	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-69.3	135.9	172.5	-7.6	23.3	0	0	0	110	F391	P389-F391 PolarHBondContact O-N 3.45Å
390	V	34.8	Very low	35.2	Very low	145 Å²	145	149.6 Å²	149.6	88%	0.879	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-55.7	119.3	177.5	-167.8	0	0	0	0	109.9
391	F	33.6	Very low	34.8	Very low	186 Å²	186	155.3 Å²	155.3	82%	0.816	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-67.7	130.8	175.1	-89.4	-92.2	0	0	0	110.8	P389	P389-F391 PolarHBondContact O-N 3.45Å
392	A	32.4	Very low	34.8	Very low	86 Å²	86	155.9 Å²	155.9	71%	0.711	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-62.7	129.5	170.8	0	0	0	0	0	111.1	Q394	A392-Q394 PolarHBondContact O-N 2.8Å
393	C	30.3	Very low	34.7	Very low	142 Å²	142	150.7 Å²	150.7	96%	0.959	81%	0.81	S	S	*	*			trans	-64.2	103.1	168.8	-94.5	0	0	0	0	110.2
394	Q	31.4	Very low	34.4	Very low	179 Å²	179	145.4 Å²	145.4	84%	0.836	81%	0.805	S	S	*	*			trans	-95.6	121.9	159.9	-70.9	-175	-9	0	0	108.7	A392	A392-Q394 PolarHBondContact O-N 2.8Å
395	Q	37.5	Very low	34.1	Very low	189 Å²	189	150.3 Å²	150.3	88%	0.883	83%	0.833	S	S	*	*			trans	-65.6	146.1	168.8	-70.7	-158.8	-22	0	0	111
396	P	34.6	Very low	34.1	Very low	123 Å²	123	153.5 Å²	153.5	80%	0.799	84%	0.839	S	S	*	*			trans	-112.5	120	150.2	23.9	-7.1	0	0	0	110.4
397	A	35.1	Very low	34.1	Very low	83 Å²	83	152.1 Å²	152.1	69%	0.686	84%	0.839	S	S	*	*			trans	-65.6	132.1	155.4	0	0	0	0	0	108.9
398	Y	31.2	Very low	33.9	Very low	237 Å²	237	152.7 Å²	152.7	93%	0.929	84%	0.838	S	S	*	*			trans	-164.5	125.5	138.5	-99.9	-71	0	0	0	110.1
399	S	34	Very low	34.1	Very low	99 Å²	99	152.2 Å²	152.2	69%	0.692	84%	0.843	S	S	*	*			trans	-71.1	144	171.5	-59.4	0	0	0	0	111.8
400	T	33.4	Very low	33.9	Very low	145 Å²	145	154.9 Å²	154.9	89%	0.89	85%	0.852	S	S	*	*			trans	-151.1	120.6	142.2	16.5	0	0	0	0	109.9
401	W	33.6	Very low	33.8	Very low	227 Å²	227	155.6 Å²	155.6	86%	0.86	85%	0.85	S	S	*	*			trans	-62.2	155.5	168.1	-69.6	78.4	0	0	0	111.6
402	L	34.7	Very low	33.8	Very low	170 Å²	170	153.4 Å²	153.4	89%	0.89	85%	0.852	S	S	*	*				-168.2	156.6	121.2	-93.1	166.3	0	0	0	110.1
403	P	39.9	Very low	33.9	Very low	108 Å²	108	158.6 Å²	158.6	70%	0.701	86%	0.863	S	S	*	*			trans	-105.5	-178.9	-153.9	41.4	-34.2	0	0	0	114.9
404	C	31.8	Very low	34.2	Very low	119 Å²	119	160 Å²	160	80%	0.804	86%	0.855	S	S	*	*			trans	-44.1	152.7	-173.5	-50.6	0	0	0	0	118.7
405	N	33.5	Very low	34.5	Very low	241 Å²	241	158.3 Å²	158.3	100%	1.289	86%	0.857	S	S	*	*				-131.8	0	115.4	-102.9	-15.1	0	0	0	109.4

Retrieved 405 of 405 residues in 207.4 ms (Link to these results)

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