A0A096MUH1_PAPAN Loading...

Carboxypeptidase A6

May be involved in the proteolytic inactivation of enkephalins and neurotensin in some brain areas. May convert inactive angiotensin I into the biologically active angiotensin II. Releases a C-terminal amino acid, with preference for large hydrophobic C-terminal amino acids and shows only very weak activity toward small amino acids and histidine.

AlphaFold DB , UniProt , Accession A0A096MUH1, Species PAPAN (Papio anubis, Olive baboon), Gene CPA6, Length 437 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.2	Very low	40.3	Very low	135 Å²	135	139.8 Å²	139.8	67%	0.665	70%	0.701	S	S	*	*				0	147	0	-87.6	84.2	161.8	0	0	109.4	P87	M1-P87 HydrophobicContact CB-CG 4.15Å; M1-P87 HydrophobicContact CE-CB 4.22Å; M1-P87 HydrophobicContact CE-CG 3.61Å; M1-P87 HydrophobicContact CG-CG 3.76Å; M1-P87 HydrophobicContact SD-CG 3.44Å; M1-P87 WeakPolarHBondContact SD-CG 3.43Å
2	K	55.9	Low	39.5	Very low	60 Å²	60	136.8 Å²	136.8	26%	0.261	71%	0.713	S	S	.	*			trans	-128.2	136.6	179.6	-80.2	159.5	172.4	-180	0	108.6	L4 W253	K2-L4 HydrophobicContact CB-CD1 4.13Å; K2-L4 HydrophobicContact CB-CG 4.11Å; K2-L4 PolarHBondContact O-N 3.48Å; K2-W253 HydrophobicContact CD-CE3 4.21Å; K2-W253 HydrophobicContact CD-CH2 4.11Å; K2-W253 HydrophobicContact CD-CZ3 3.41Å; K2-W253 VanDerWaalsContact CD-CZ3 3.41Å; K2-W253 HydrophobicContact CG-CE3 4.2Å; K2-W253 HydrophobicContact CG-CZ3 3.84Å
3	C	53.6	Low	39.2	Very low	25 Å²	25	133.1 Å²	133.1	17%	0.169	72%	0.715	C	S	.	*			trans	-72.4	62.8	177.6	-62.5	0	0	0	0	111.1	G5 C36 Y37 D250	C3-G5 PolarHBondContact O-N 3Å; C3-C36 HydrophobicContact CB-CB 3.73Å; C3-C36 WeakPolarHBondContact CB-SG 3.41Å; C3-C36 WeakPolarHBondContact SG-CB 3.25Å; C3-C36 CovalentContact SG-SG 2.02Å; C3-C36 PolarHBondContact SG-SG 3.34Å; C3-Y37 VanDerWaalsContact SG-CE1 3.54Å; C3-Y37 PolarHBondContact SG-OH 2.72Å; C3-D250 HydrophobicContact CB-CB 4.44Å; C3-D250 PolarHBondContact N-OD2 2.03Å
4	L	54.8	Low	38.6	Very low	123 Å²	123	139.1 Å²	139.1	64%	0.644	73%	0.732	S	S	*	*			trans	-89.5	96.2	174.8	-69.4	168.1	0	0	0	107.7	K2	K2-L4 HydrophobicContact CB-CD1 4.13Å; K2-L4 HydrophobicContact CB-CG 4.11Å; K2-L4 PolarHBondContact O-N 3.48Å
5	G	42.3	Very low	38	Very low	62 Å²	62	140.7 Å²	140.7	64%	0.639	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-58.2	140.6	-178.5	0	0	0	0	0	113.7	C3 R7	C3-G5 PolarHBondContact O-N 3Å; G5-R7 PolarHBondContact O-N 3.45Å
6	K	32.8	Very low	38.4	Very low	212 Å²	212	138.4 Å²	138.4	92%	0.922	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-51.8	125.8	165.3	-77.9	176.4	174.6	176.5	0	109.5	R8	K6-R8 PolarHBondContact O-N 3.17Å
7	R	32	Very low	38	Very low	245 Å²	245	140.1 Å²	140.1	93%	0.925	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-62.7	126.3	169	-83.5	-179	170.9	-177.3	-4.1	109.1	G5 G9	G5-R7 PolarHBondContact O-N 3.45Å; R7-G9 PolarHBondContact O-N 3.26Å
8	R	32.6	Very low	37.8	Very low	247 Å²	247	138.6 Å²	138.6	93%	0.932	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-63.2	117.7	159.1	-80.9	-178.3	172.1	179.6	-2.1	107.7	K6	K6-R8 PolarHBondContact O-N 3.17Å
9	G	27.4	Very low	37.5	Very low	75 Å²	75	143.1 Å²	143.1	77%	0.773	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-62.5	134.6	170.5	0	0	0	0	0	110	R7 A11	R7-G9 PolarHBondContact O-N 3.26Å; G9-A11 PolarHBondContact O-N 2.96Å
10	R	31.8	Very low	37.6	Very low	255 Å²	255	144.2 Å²	144.2	96%	0.962	76%	0.757	S	S	*	*			trans	-73.4	114.4	166.9	-76.3	-179.9	171.6	-177.2	-4.2	107.3
11	A	30.9	Very low	37.5	Very low	99 Å²	99	144.9 Å²	144.9	82%	0.818	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-99.1	139.5	161.7	0	0	0	0	0	108.6	G9	G9-A11 PolarHBondContact O-N 2.96Å
12	A	31.1	Very low	36.7	Very low	103 Å²	103	146.2 Å²	146.2	85%	0.851	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-67.2	159.7	-172.6	0	0	0	0	0	113.4
13	A	35	Very low	35.6	Very low	89 Å²	89	152 Å²	152	74%	0.736	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-63.6	136.7	179.5	0	0	0	0	0	112.9
14	F	30.5	Very low	34.6	Very low	217 Å²	217	156.8 Å²	156.8	95%	0.952	82%	0.816	S	S	*	*			trans	-157.9	126.5	142	-92.3	-75.7	0	0	0	108.4
15	L	30.3	Very low	33.6	Very low	164 Å²	164	158.8 Å²	158.8	86%	0.859	83%	0.827	S	S	*	*			trans	-119.2	163	160.8	-88.7	170.6	0	0	0	105.8
16	P	44.4	Very low	33.1	Very low	104 Å²	104	163.7 Å²	163.7	68%	0.675	83%	0.833	S	S	*	*			cis	-138.1	167.5	16.8	34.5	-13.9	0	0	0	115.3
17	L	32.2	Very low	33.3	Very low	167 Å²	167	158.8 Å²	158.8	87%	0.874	82%	0.823	S	S	*	*				175.9	139.9	121.4	-109	118.2	0	0	0	112
18	C	33.7	Very low	33.6	Very low	113 Å²	113	150.4 Å²	150.4	76%	0.764	81%	0.813	S	S	*	*			trans	-54.4	127.8	-174.8	-70.3	0	0	0	0	115.5
19	W	32.8	Very low	34.3	Very low	223 Å²	223	146 Å²	146	85%	0.845	80%	0.802	S	S	*	*			trans	-139	114.3	143	-94.1	73	0	0	0	109	F21	W19-F21 AromaticContact CE3-CE2 3.88Å; W19-F21 HydrophobicContact CE3-CE2 3.88Å; W19-F21 HydrophobicContact CZ3-CE2 4.43Å; W19-F21 PolarHBondContact O-N 3.37Å; W19-F21 VanDerWaalsContact O-N 3.12Å
20	L	39	Very low	36	Very low	166 Å²	166	148 Å²	148	87%	0.869	81%	0.805	S	S	*	*			trans	-68.1	98.4	173	-93.5	144.3	0	0	0	109.3
21	F	34.9	Very low	38	Very low	158 Å²	158	140.1 Å²	140.1	69%	0.693	78%	0.778	S	S	*	*			trans	-109.9	107.5	156.4	-88.6	-82.3	0	0	0	108.2	W19 K23	W19-F21 AromaticContact CE3-CE2 3.88Å; W19-F21 HydrophobicContact CE3-CE2 3.88Å; W19-F21 HydrophobicContact CZ3-CE2 4.43Å; W19-F21 PolarHBondContact O-N 3.37Å; W19-F21 VanDerWaalsContact O-N 3.12Å; F21-K23 PolarHBondContact O-N 3.47Å
22	L	33.4	Very low	40.2	Very low	163 Å²	163	138 Å²	138	85%	0.853	75%	0.753	S	S	*	*			trans	-63.2	83.7	160.6	-101	121.1	0	0	0	108.1	V24	L22-V24 PolarHBondContact O-N 2.93Å
23	K	31.5	Very low	42.9	Very low	181 Å²	181	134.3 Å²	134.3	79%	0.787	72%	0.718	S	S	*	*			trans	-73.4	108.5	156.7	-80.1	-173.1	177.8	-178.8	0	106.3	F21 L25	F21-K23 PolarHBondContact O-N 3.47Å; K23-L25 VanDerWaalsContact C-N 3.31Å; K23-L25 PolarHBondContact O-N 2.88Å
24	V	33.6	Very low	45.3	Very low	127 Å²	127	136.9 Å²	136.9	77%	0.77	72%	0.719	S	S	*	*			trans	-49.9	102.8	158.3	175.7	0	0	0	0	106.5	L22 Q26	L22-V24 PolarHBondContact O-N 2.93Å; V24-Q26 VanDerWaalsContact C-N 3.27Å; V24-Q26 PolarHBondContact O-N 3.03Å
25	L	34.1	Very low	48	Very low	165 Å²	165	129.9 Å²	129.9	86%	0.864	69%	0.691	S	S	*	*			trans	-65.2	94.4	169.3	-87.5	155.3	0	0	0	106.1	K23	K23-L25 VanDerWaalsContact C-N 3.31Å; K23-L25 PolarHBondContact O-N 2.88Å
26	Q	32.4	Very low	50.8	Low	165 Å²	165	124.1 Å²	124.1	77%	0.771	66%	0.664	S	S	*	*			trans	-54	133.3	155.9	-74.5	-169.7	-24.2	0	0	106.7	V24 G28	V24-Q26 VanDerWaalsContact C-N 3.27Å; V24-Q26 PolarHBondContact O-N 3.03Å; Q26-G28 VanDerWaalsContact C-N 3.32Å; Q26-G28 PolarHBondContact O-N 3.15Å
27	P	36.4	Very low	53.1	Low	109 Å²	109	119.5 Å²	119.5	71%	0.708	63%	0.633	S	S	*	*			trans	-61.8	99.2	177.2	23.9	-30.5	0	0	0	107.6	H29	P27-H29 PolarHBondContact O-N 2.57Å; P27-H29 PolarHBondContact O-ND1 3.07Å; P27-H29 VanDerWaalsContact O-ND1 3.15Å
28	G	37.1	Very low	56	Low	69 Å²	69	113.2 Å²	113.2	71%	0.711	61%	0.606	S	S	*	*			trans	-53.8	113.4	176.6	0	0	0	0	0	107.5	Q26 S30	Q26-G28 VanDerWaalsContact C-N 3.32Å; Q26-G28 PolarHBondContact O-N 3.15Å; G28-S30 PolarHBondContact O-N 2.85Å
29	H	47.2	Very low	58.8	Low	153 Å²	153	108.3 Å²	108.3	71%	0.708	57%	0.574	S	S	*	*			trans	-61	104.2	178	-75.5	9.2	0	0	0	107.5	P27 H31	P27-H29 PolarHBondContact O-N 2.57Å; P27-H29 PolarHBondContact O-ND1 3.07Å; P27-H29 VanDerWaalsContact O-ND1 3.15Å; H29-H31 PolarHBondContact O-CD2 3.31Å; H29-H31 PolarHBondContact O-N 3.07Å
30	S	64.3	Low	61.8	Low	119 Å²	119	98.2 Å²	98.2	83%	0.832	54%	0.537	S	S	*	.			trans	-69.8	97.5	172.5	58.5	0	0	0	0	107.5	G28	G28-S30 PolarHBondContact O-N 2.85Å
31	H	73.1	Confident	64.5	Low	88 Å²	88	91.6 Å²	91.6	41%	0.407	50%	0.501	S	S	.	.			trans	-62.6	136.7	176.9	-69.6	-80.1	0	0	0	110.7	H29 Y33 N34 N35 E117	H29-H31 PolarHBondContact O-CD2 3.31Å; H29-H31 PolarHBondContact O-N 3.07Å; H31-Y33 PolarHBondContact O-N 3.11Å; H31-N34 PolarHBondContact O-N 1.99Å; H31-N35 HydrophobicContact CB-CB 3.81Å; H31-E117 IonicContact CE1-OE1 2.9Å; H31-E117 IonicContact CG-OE1 2.67Å; H31-E117 IonicContact ND1-OE1 2.77Å; H31-E117 PolarHBondContact ND1-OE1 3.38Å
32	L	78.3	Confident	67.4	Low	55 Å²	55	84 Å²	84	29%	0.288	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-54.5	139.3	174.2	-79.1	-173.6	0	0	0	110.8	N34 N35 Q113 L116 S120	L32-N34 PolarHBondContact O-N 3.16Å; L32-N35 PolarHBondContact O-N 3.46Å; L32-Q113 PolarHBondContact O-NE2 2.82Å; L32-L116 HydrophobicContact CD1-CB 4.38Å; L32-S120 WeakPolarHBondContact CD1-OG 3.37Å
33	Y	86.9	Confident	70.4	Confident	26 Å²	26	76.3 Å²	76.3	10%	0.102	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	53.1	27.8	179	-48.5	-74.9	0	0	0	113.8	H31 N35 C36 Y37 L116 S246 R251	H31-Y33 PolarHBondContact O-N 3.11Å; Y33-N35 VanDerWaalsContact C-N 3.25Å; Y33-N35 PolarHBondContact O-N 3.18Å; Y33-C36 WeakPolarHBondContact O-CB 3.44Å; Y33-C36 PolarHBondContact O-N 3.04Å; Y33-C36 PolarHBondContact O-SG 2.93Å; Y33-Y37 HydrophobicContact CD2-CD2 4.47Å; Y33-Y37 HydrophobicContact CD2-CE2 4.08Å; Y33-Y37 HydrophobicContact CG-CE2 4.02Å; Y33-L116 HydrophobicContact CD2-CD1 4.01Å; Y33-L116 HydrophobicContact CE2-CD1 4.21Å; Y33-L116 HydrophobicContact CE2-CD2 4.49Å; Y33-S246 WeakPolarHBondContact CE1-O 3.44Å; Y33-S246 PolarHBondContact OH-O 3.02Å; Y33-S246 VanDerWaalsContact OH-O 3.11Å; Y33-R251 HydrophobicContact CD2-CB 4.3Å; Y33-R251 HydrophobicContact CE1-CB 4Å; Y33-R251 HydrophobicContact CE2-CB 3.76Å; Y33-R251 HydrophobicContact CE2-CG 4.37Å
34	N	86.4	Confident	73.5	Confident	143 Å²	143	69.8 Å²	69.8	77%	0.765	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	56.8	35	-176.9	-53.7	-52.8	0	0	0	113.8	H31 L32 C36	H31-N34 PolarHBondContact O-N 1.99Å; L32-N34 PolarHBondContact O-N 3.16Å; N34-C36 PolarHBondContact O-N 3.25Å
35	N	85.4	Confident	76.4	Confident	69 Å²	69	63.8 Å²	63.8	37%	0.369	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	60.8	25.2	177.3	-158.1	39.1	0	0	0	113.8	H31 L32 Y33 Y37 A38 Q113	H31-N35 HydrophobicContact CB-CB 3.81Å; L32-N35 PolarHBondContact O-N 3.46Å; Y33-N35 VanDerWaalsContact C-N 3.25Å; Y33-N35 PolarHBondContact O-N 3.18Å; N35-Y37 PolarHBondContact O-N 3.17Å; N35-A38 WeakPolarHBondContact O-CB 3.31Å; N35-A38 PolarHBondContact O-N 2.96Å; N35-Q113 VanDerWaalsContact OD1-CG 3.31Å; N35-Q113 WeakPolarHBondContact OD1-CG 3.33Å
36	C	89.4	Confident	79.3	Confident	44 Å²	44	59.4 Å²	59.4	30%	0.297	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-13.2	-170.4	66.2	0	0	0	0	114.6	C3 Y33 N34	C3-C36 HydrophobicContact CB-CB 3.73Å; C3-C36 WeakPolarHBondContact CB-SG 3.41Å; C3-C36 WeakPolarHBondContact SG-CB 3.25Å; C3-C36 CovalentContact SG-SG 2.02Å; C3-C36 PolarHBondContact SG-SG 3.34Å; Y33-C36 WeakPolarHBondContact O-CB 3.44Å; Y33-C36 PolarHBondContact O-N 3.04Å; Y33-C36 PolarHBondContact O-SG 2.93Å; N34-C36 PolarHBondContact O-N 3.25Å
37	Y	93.2	Very high	82.2	Confident	6 Å²	6	51.6 Å²	51.6	2%	0.024	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	14.3	179.3	-55.2	-67.5	0	0	0	113.2	C3 Y33 N35 G39 D40 L112 Q113 L116 D250 R251 F252	C3-Y37 VanDerWaalsContact SG-CE1 3.54Å; C3-Y37 PolarHBondContact SG-OH 2.72Å; Y33-Y37 HydrophobicContact CD2-CD2 4.47Å; Y33-Y37 HydrophobicContact CD2-CE2 4.08Å; Y33-Y37 HydrophobicContact CG-CE2 4.02Å; N35-Y37 PolarHBondContact O-N 3.17Å; Y37-G39 PolarHBondContact O-N 3.12Å; Y37-G39 VanDerWaalsContact O-N 3.12Å; Y37-D40 WeakPolarHBondContact O-CB 3.19Å; Y37-D40 PolarHBondContact O-N 3.37Å; Y37-L112 HydrophobicContact CD1-CD2 4.18Å; Y37-L112 HydrophobicContact CG-CD2 4.42Å; Y37-Q113 WeakPolarHBondContact O-CB 3.3Å; Y37-Q113 PolarHBondContact O-N 3.15Å; Y37-L116 HydrophobicContact CD2-CD1 3.4Å; Y37-L116 HydrophobicContact CE2-CD1 3.86Å; Y37-L116 HydrophobicContact CG-CD1 4.21Å; Y37-D250 PolarHBondContact OH-OD1 2.76Å; Y37-R251 HydrophobicContact CE2-CB 4.31Å; Y37-R251 PolarHBondContact OH-N 3.25Å; Y37-F252 HydrophobicContact CD1-CD2 4.11Å; Y37-F252 HydrophobicContact CD1-CE2 4.15Å; Y37-F252 HydrophobicContact CD2-CE2 4.32Å; Y37-F252 AromaticContact CE1-CD2 3.5Å; Y37-F252 HydrophobicContact CE1-CD2 3.5Å; Y37-F252 VanDerWaalsContact CE1-CD2 3.5Å; Y37-F252 AromaticContact CE1-CE2 3.95Å; Y37-F252 HydrophobicContact CE1-CE2 3.95Å; Y37-F252 HydrophobicContact CE2-CD2 4.12Å; Y37-F252 HydrophobicContact CE2-CE2 4.1Å; Y37-F252 HydrophobicContact CG-CE2 4.32Å; Y37-F252 AromaticContact CZ-CD2 3.49Å; Y37-F252 VanDerWaalsContact CZ-CD2 3.49Å; Y37-F252 AromaticContact CZ-CE2 3.91Å
38	A	93.5	Very high	85.1	Confident	35 Å²	35	51.2 Å²	51.2	29%	0.289	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	116.9	-173.4	0	0	0	0	0	111	N35 D40 Q113	N35-A38 WeakPolarHBondContact O-CB 3.31Å; N35-A38 PolarHBondContact O-N 2.96Å; A38-D40 PolarHBondContact O-N 3.06Å; A38-Q113 HydrophobicContact CB-CB 4.49Å
39	G	93.1	Very high	87.8	Confident	10 Å²	10	50.3 Å²	50.3	10%	0.103	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	5.5	-177.6	0	0	0	0	0	115	Y37 Q88 D111	Y37-G39 PolarHBondContact O-N 3.12Å; Y37-G39 VanDerWaalsContact O-N 3.12Å; G39-Q88 WeakPolarHBondContact O-CA 3.29Å; G39-Q88 WeakPolarHBondContact O-CB 3.45Å; G39-D111 PolarHBondContact N-OD1 2.77Å
40	D	95.1	Very high	90.1	Very high	12 Å²	12	48.7 Å²	48.7	6%	0.064	26%	0.262	C	S	.	.			trans	-65.5	143.6	169.8	-69.7	5.9	0	0	0	109.3	Y37 A38 H85 P87 Q88 L112	Y37-D40 WeakPolarHBondContact O-CB 3.19Å; Y37-D40 PolarHBondContact O-N 3.37Å; A38-D40 PolarHBondContact O-N 3.06Å; D40-H85 IonicContact OD2-NE2 2.66Å; D40-H85 PolarHBondContact OD2-NE2 3.34Å; D40-P87 VanDerWaalsContact CG-CA 3.47Å; D40-P87 WeakPolarHBondContact OD1-CA 3.45Å; D40-P87 WeakPolarHBondContact OD1-CB 3.2Å; D40-Q88 PolarHBondContact OD1-N 3.06Å; D40-Q88 VanDerWaalsContact OD1-N 3.08Å; D40-L112 HydrophobicContact CB-CB 4.05Å; D40-L112 HydrophobicContact CB-CD2 4.31Å; D40-L112 WeakPolarHBondContact O-CB 3.31Å; D40-L112 PolarHBondContact O-N 3.04Å
41	K	95.6	Very high	91.5	Very high	26 Å²	26	49.5 Å²	49.5	11%	0.113	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	153.6	-175.1	-61.6	-163.1	173.9	-153	0	111.6	I43 H85 I86 I107 I109 E110	K41-I43 HydrophobicContact CB-CD1 4.37Å; K41-I43 HydrophobicContact CB-CG1 4.18Å; K41-H85 WeakPolarHBondContact O-CA 3.28Å; K41-I86 HydrophobicContact CB-CG2 4.46Å; K41-I86 PolarHBondContact N-O 3.05Å; K41-I86 PolarHBondContact O-N 3.43Å; K41-I107 HydrophobicContact CD-CG2 4.42Å; K41-I109 WeakPolarHBondContact CA-O 3.39Å; K41-E110 WeakPolarHBondContact CE-OE1 3.33Å; K41-E110 IonicContact NZ-OE1 3.31Å; K41-E110 PolarHBondContact NZ-OE1 3.08Å; K41-E110 IonicContact NZ-OE2 3.95Å; K41-E110 PolarHBondContact NZ-OE2 2.77Å
42	V	96.2	Very high	92.6	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	120.9	163.5	-175.8	0	0	0	0	108.8	W68 V84 H85 L108 I109 L112	V42-W68 HydrophobicContact CG1-CD2 4.4Å; V42-W68 HydrophobicContact CG1-CE3 4.02Å; V42-W68 HydrophobicContact CG1-CZ3 4.21Å; V42-W68 HydrophobicContact CG2-CE3 4.34Å; V42-W68 HydrophobicContact CG2-CH2 3.67Å; V42-W68 HydrophobicContact CG2-CZ2 3.83Å; V42-W68 HydrophobicContact CG2-CZ3 3.95Å; V42-V84 CarbonylContact C-O 3.54Å; V42-V84 VanDerWaalsContact CA-O 3.3Å; V42-V84 WeakPolarHBondContact CA-O 3.11Å; V42-H85 HydrophobicContact CG2-CB 4.33Å; V42-L108 HydrophobicContact CB-CB 4.45Å; V42-L108 HydrophobicContact CG1-CB 4.33Å; V42-L108 HydrophobicContact CG1-CD1 4.16Å; V42-L108 PolarHBondContact O-N 3.09Å; V42-I109 HydrophobicContact CB-CB 3.94Å; V42-I109 HydrophobicContact CB-CD1 4.24Å; V42-I109 HydrophobicContact CB-CG1 4.1Å; V42-I109 HydrophobicContact CG2-CB 4.08Å; V42-I109 HydrophobicContact CG2-CD1 3.92Å; V42-I109 HydrophobicContact CG2-CG1 4.25Å; V42-I109 PolarHBondContact N-O 3.47Å; V42-I109 PolarHBondContact O-N 2.9Å; V42-L112 HydrophobicContact CG2-CD1 4.25Å
43	I	96.4	Very high	93.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	131	-173.6	-57.5	170.2	0	0	0	108.8	K41 V84 I86 L94 L95 L98 Y105 I107	K41-I43 HydrophobicContact CB-CD1 4.37Å; K41-I43 HydrophobicContact CB-CG1 4.18Å; I43-V84 PolarHBondContact N-O 3.45Å; I43-V84 PolarHBondContact O-N 2.8Å; I43-I86 HydrophobicContact CD1-CG2 4.03Å; I43-L94 HydrophobicContact CD1-CD2 4.19Å; I43-L95 HydrophobicContact CD1-CD2 3.81Å; I43-L95 HydrophobicContact CD1-CG 4.05Å; I43-L98 HydrophobicContact CG2-CD1 4.37Å; I43-Y105 HydrophobicContact CG2-CD2 4.07Å; I43-Y105 HydrophobicContact CG2-CG 4.37Å; I43-I107 HydrophobicContact CG1-CG1 4.46Å
44	R	96.3	Very high	93.7	Very high	45 Å²	45	51 Å²	51	17%	0.17	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	136.9	172.4	176.2	165	-68.2	-177.3	-3.2	111	V81 T82 D83 Y105 K106 L108 T402	R44-V81 HydrophobicContact CG-CG1 4.4Å; R44-V81 VanDerWaalsContact CZ-CG1 3.49Å; R44-T82 CarbonylContact C-O 3.53Å; R44-T82 VanDerWaalsContact CA-O 3.28Å; R44-T82 WeakPolarHBondContact CA-O 3.49Å; R44-D83 WeakPolarHBondContact CB-OD1 3.45Å; R44-D83 IonicContact CZ-OD1 3.69Å; R44-D83 VanDerWaalsContact CZ-OD1 3.28Å; R44-D83 IonicContact CZ-OD2 3.3Å; R44-D83 IonicContact NE-OD1 2.84Å; R44-D83 PolarHBondContact NE-OD1 3.21Å; R44-D83 IonicContact NE-OD2 3.73Å; R44-D83 IonicContact NH2-OD1 3.93Å; R44-D83 PolarHBondContact NH2-OD1 2.97Å; R44-D83 IonicContact NH2-OD2 3.28Å; R44-D83 PolarHBondContact NH2-OD2 3.5Å; R44-Y105 CarbonylContact O-C 3.59Å; R44-Y105 WeakPolarHBondContact O-CA 3.31Å; R44-Y105 WeakPolarHBondContact O-CB 3.44Å; R44-K106 HydrophobicContact CB-CB 4.47Å; R44-K106 PolarHBondContact N-O 2.95Å; R44-K106 PolarHBondContact O-N 3.15Å; R44-L108 HydrophobicContact CB-CD1 3.94Å; R44-L108 HydrophobicContact CB-CD2 3.94Å; R44-L108 HydrophobicContact CB-CG 3.9Å; R44-T402 VanDerWaalsContact CZ-O 3.23Å; R44-T402 PolarHBondContact NH1-O 3.34Å; R44-T402 PolarHBondContact NH2-O 3.17Å
45	F	94.3	Very high	94	Very high	1 Å²	1	45.2 Å²	45.2	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	155.8	162.4	46.2	-97.3	0	0	0	110.2	L56 T82 V84 L98 I103	F45-L56 HydrophobicContact CD1-CD2 4.33Å; F45-L56 HydrophobicContact CD2-CD1 3.46Å; F45-L56 VanDerWaalsContact CD2-CD1 3.46Å; F45-L56 HydrophobicContact CD2-CD2 3.75Å; F45-L56 HydrophobicContact CD2-CG 4.18Å; F45-L56 HydrophobicContact CE1-CD2 4.2Å; F45-L56 HydrophobicContact CE2-CB 4.23Å; F45-L56 HydrophobicContact CE2-CD1 3.61Å; F45-L56 HydrophobicContact CE2-CD2 3.59Å; F45-L56 HydrophobicContact CE2-CG 4.01Å; F45-L56 HydrophobicContact CG-CD1 4.38Å; F45-L56 HydrophobicContact CG-CD2 4.11Å; F45-L56 HydrophobicContact CZ-CD2 3.83Å; F45-T82 HydrophobicContact CD2-CG2 4.03Å; F45-T82 HydrophobicContact CE1-CG2 4.43Å; F45-T82 HydrophobicContact CE2-CG2 3.23Å; F45-T82 HydrophobicContact CZ-CG2 3.49Å; F45-T82 VanDerWaalsContact CZ-CG2 3.49Å; F45-T82 PolarHBondContact N-O 3.41Å; F45-T82 PolarHBondContact O-N 2.7Å; F45-V84 HydrophobicContact CD1-CG2 4.47Å; F45-V84 HydrophobicContact CE1-CB 4.22Å; F45-V84 HydrophobicContact CE1-CG2 3.34Å; F45-V84 HydrophobicContact CZ-CG2 3.38Å; F45-L98 HydrophobicContact CD1-CD2 4.5Å; F45-I103 HydrophobicContact CB-CG2 4.47Å
46	I	95	Very high	94.5	Very high	73 Å²	73	42 Å²	42	37%	0.374	21%	0.208	S	C	.	.			trans	-131.3	100	177.8	-52.6	178.8	0	0	0	105.9	V81	I46-V81 HydrophobicContact CD1-CG2 4.1Å; I46-V81 HydrophobicContact CG1-CG2 4.33Å
47	P	94.2	Very high	94.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.209	C	C	.	.			trans	-64.6	141.7	-178.6	26.6	-31.8	0	0	0	110.5	E52 V53 L56 V76 S77 G79 T80	P47-E52 VanDerWaalsContact CA-OE2 3.22Å; P47-E52 WeakPolarHBondContact CA-OE2 3.43Å; P47-E52 HydrophobicContact CB-CB 3.96Å; P47-V53 HydrophobicContact CB-CG2 3.75Å; P47-V53 HydrophobicContact CG-CG2 3.86Å; P47-L56 HydrophobicContact CB-CD1 3.8Å; P47-L56 HydrophobicContact CG-CD1 4.22Å; P47-V76 HydrophobicContact CG-CG1 3.95Å; P47-S77 VanDerWaalsContact CG-O 3.29Å; P47-S77 WeakPolarHBondContact CG-O 3.46Å; P47-G79 PolarHBondContact O-N 3.48Å; P47-T80 VanDerWaalsContact CD-O 3.3Å; P47-T80 WeakPolarHBondContact CD-O 3.49Å
48	K	95.5	Very high	94.6	Very high	101 Å²	101	48.5 Å²	48.5	44%	0.439	23%	0.232	S	C	.	.			trans	-111	-13.2	-176.3	-62.4	-169.2	174.8	-151.7	0	114.1	E52 E78	K48-E52 PolarHBondContact N-OE2 2.78Å; K48-E78 VanDerWaalsContact O-CD 3.27Å; K48-E78 WeakPolarHBondContact O-CG 3.5Å
49	T	95.4	Very high	94.5	Very high	51 Å²	51	47.5 Å²	47.5	31%	0.313	22%	0.221	S	C	.	.	S	Bend	trans	-141.4	161.4	178.5	81.5	0	0	0	0	110.2	E51 E52 V53	T49-E51 WeakPolarHBondContact CB-OE2 3.4Å; T49-E51 PolarHBondContact O-N 3.4Å; T49-E51 PolarHBondContact OG1-N 3.33Å; T49-E51 PolarHBondContact OG1-OE2 2.8Å; T49-E52 PolarHBondContact O-N 2.96Å; T49-E52 PolarHBondContact OG1-N 2.82Å; T49-V53 WeakPolarHBondContact O-CG2 3.26Å; T49-V53 PolarHBondContact O-N 3.16Å
50	E	94.3	Very high	94.3	Very high	118 Å²	118	47.2 Å²	47.2	55%	0.551	22%	0.218	S	C	*	.	H	α-helix	trans	-62.4	-30.1	175.2	-73.9	-63.6	156.4	0	0	112.5	V53 Y54	E50-V53 WeakPolarHBondContact O-CB 3.31Å; E50-V53 PolarHBondContact O-N 3.18Å; E50-Y54 WeakPolarHBondContact O-CB 3.17Å; E50-Y54 PolarHBondContact O-N 3.01Å
51	E	94.9	Very high	94	Very high	137 Å²	137	53.5 Å²	53.5	64%	0.64	25%	0.247	S	C	*	.	H	α-helix	trans	-65.1	-44.5	173.8	-60	74.7	-160.5	0	0	111.3	T49 V53 Y54 A55	T49-E51 WeakPolarHBondContact CB-OE2 3.4Å; T49-E51 PolarHBondContact O-N 3.4Å; T49-E51 PolarHBondContact OG1-N 3.33Å; T49-E51 PolarHBondContact OG1-OE2 2.8Å; E51-V53 VanDerWaalsContact C-N 3.32Å; E51-V53 PolarHBondContact O-N 3.32Å; E51-Y54 PolarHBondContact O-N 3.14Å; E51-A55 VanDerWaalsContact O-CB 3.22Å; E51-A55 WeakPolarHBondContact O-CB 3.03Å; E51-A55 PolarHBondContact O-N 2.88Å
52	E	95.4	Very high	93.6	Very high	36 Å²	36	58 Å²	58	17%	0.168	27%	0.268	C	S	.	.	H	α-helix	trans	-62.1	-41.9	174.3	-65.1	-172.6	177	0	0	110.7	P47 K48 T49 A55 L56 I103	P47-E52 VanDerWaalsContact CA-OE2 3.22Å; P47-E52 WeakPolarHBondContact CA-OE2 3.43Å; P47-E52 HydrophobicContact CB-CB 3.96Å; K48-E52 PolarHBondContact N-OE2 2.78Å; T49-E52 PolarHBondContact O-N 2.96Å; T49-E52 PolarHBondContact OG1-N 2.82Å; E52-A55 PolarHBondContact O-N 3.22Å; E52-L56 WeakPolarHBondContact O-CB 2.94Å; E52-L56 WeakPolarHBondContact O-CD1 3.39Å; E52-L56 WeakPolarHBondContact O-CG 3.18Å; E52-L56 PolarHBondContact O-N 3.2Å; E52-I103 HydrophobicContact CB-CD1 4.25Å; E52-I103 HydrophobicContact CB-CG1 4.41Å; E52-I103 HydrophobicContact CG-CD1 4.34Å; E52-I103 HydrophobicContact CG-CG1 4Å
53	V	94.5	Very high	93.3	Very high	1 Å²	1	60 Å²	60	1%	0.006	28%	0.278	C	S	.	.	H	α-helix	trans	-58.3	-50.2	175.7	171.2	0	0	0	0	110.9	P47 T49 E50 E51 A55 L56 K57 V76	P47-V53 HydrophobicContact CB-CG2 3.75Å; P47-V53 HydrophobicContact CG-CG2 3.86Å; T49-V53 WeakPolarHBondContact O-CG2 3.26Å; T49-V53 PolarHBondContact O-N 3.16Å; E50-V53 WeakPolarHBondContact O-CB 3.31Å; E50-V53 PolarHBondContact O-N 3.18Å; E51-V53 VanDerWaalsContact C-N 3.32Å; E51-V53 PolarHBondContact O-N 3.32Å; V53-A55 PolarHBondContact O-N 3.44Å; V53-L56 PolarHBondContact O-N 3.45Å; V53-K57 HydrophobicContact CG1-CD 3.91Å; V53-K57 HydrophobicContact CG1-CG 4.43Å; V53-K57 WeakPolarHBondContact O-CB 3.39Å; V53-K57 VanDerWaalsContact O-CG 3.29Å; V53-K57 WeakPolarHBondContact O-CG 3.33Å; V53-K57 PolarHBondContact O-N 3.36Å; V53-V76 VanDerWaalsContact CG1-O 3.24Å; V53-V76 WeakPolarHBondContact CG1-O 3.25Å
54	Y	93.9	Very high	92.8	Very high	164 Å²	164	68 Å²	68	64%	0.643	31%	0.313	S	S	*	.	H	α-helix	trans	-60.5	-46.4	179	177.6	-95.3	0	0	0	111.7	E50 E51 L56 K57 K58	E50-Y54 WeakPolarHBondContact O-CB 3.17Å; E50-Y54 PolarHBondContact O-N 3.01Å; E51-Y54 PolarHBondContact O-N 3.14Å; Y54-L56 PolarHBondContact O-N 2.84Å; Y54-K57 PolarHBondContact O-N 3.33Å; Y54-K58 HydrophobicContact CE1-CD 4.49Å; Y54-K58 WeakPolarHBondContact O-CB 3.32Å; Y54-K58 PolarHBondContact O-N 3.09Å
55	A	93.4	Very high	92.4	Very high	21 Å²	21	66.9 Å²	66.9	17%	0.174	31%	0.311	C	S	.	.	H	α-helix	trans	-57.7	-47.9	177.6	0	0	0	0	0	111.7	E51 E52 V53 K58 I59 F97 I103	E51-A55 VanDerWaalsContact O-CB 3.22Å; E51-A55 WeakPolarHBondContact O-CB 3.03Å; E51-A55 PolarHBondContact O-N 2.88Å; E52-A55 PolarHBondContact O-N 3.22Å; V53-A55 PolarHBondContact O-N 3.44Å; A55-K58 PolarHBondContact O-N 3.44Å; A55-I59 PolarHBondContact O-N 3.38Å; A55-F97 HydrophobicContact CB-CE1 4.25Å; A55-F97 HydrophobicContact CB-CZ 3.8Å; A55-F97 WeakPolarHBondContact O-CZ 3.4Å; A55-I103 HydrophobicContact CB-CD1 4.32Å
56	L	94.1	Very high	92.1	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-66.9	-40.2	179.6	-71.6	166.2	0	0	0	112.9	F45 P47 E52 V53 Y54 K58 I59 S60 L98 I103	F45-L56 HydrophobicContact CD1-CD2 4.33Å; F45-L56 HydrophobicContact CD2-CD1 3.46Å; F45-L56 VanDerWaalsContact CD2-CD1 3.46Å; F45-L56 HydrophobicContact CD2-CD2 3.75Å; F45-L56 HydrophobicContact CD2-CG 4.18Å; F45-L56 HydrophobicContact CE1-CD2 4.2Å; F45-L56 HydrophobicContact CE2-CB 4.23Å; F45-L56 HydrophobicContact CE2-CD1 3.61Å; F45-L56 HydrophobicContact CE2-CD2 3.59Å; F45-L56 HydrophobicContact CE2-CG 4.01Å; F45-L56 HydrophobicContact CG-CD1 4.38Å; F45-L56 HydrophobicContact CG-CD2 4.11Å; F45-L56 HydrophobicContact CZ-CD2 3.83Å; P47-L56 HydrophobicContact CB-CD1 3.8Å; P47-L56 HydrophobicContact CG-CD1 4.22Å; E52-L56 WeakPolarHBondContact O-CB 2.94Å; E52-L56 WeakPolarHBondContact O-CD1 3.39Å; E52-L56 WeakPolarHBondContact O-CG 3.18Å; E52-L56 PolarHBondContact O-N 3.2Å; V53-L56 PolarHBondContact O-N 3.45Å; Y54-L56 PolarHBondContact O-N 2.84Å; L56-K58 VanDerWaalsContact C-N 3.32Å; L56-K58 PolarHBondContact O-N 3.34Å; L56-I59 WeakPolarHBondContact O-CG2 3.46Å; L56-S60 WeakPolarHBondContact O-CB 3.36Å; L56-S60 PolarHBondContact O-N 2.8Å; L56-S60 PolarHBondContact O-OG 2.7Å; L56-L98 HydrophobicContact CD2-CD2 3.6Å; L56-I103 HydrophobicContact CD1-CD1 4.5Å; L56-I103 HydrophobicContact CD1-CG2 4.47Å; L56-I103 HydrophobicContact CD2-CD1 4.1Å; L56-I103 HydrophobicContact CD2-CG2 4.48Å; L56-I103 HydrophobicContact CG-CD1 3.99Å
57	K	92.9	Very high	91.9	Very high	71 Å²	71	64.7 Å²	64.7	31%	0.309	30%	0.301	S	S	.	.	H	α-helix	trans	-59.9	-44.9	174.8	-76.1	177.8	169.8	165.5	0	110.8	V53 Y54 H61 I73 S74 V76	V53-K57 HydrophobicContact CG1-CD 3.91Å; V53-K57 HydrophobicContact CG1-CG 4.43Å; V53-K57 WeakPolarHBondContact O-CB 3.39Å; V53-K57 VanDerWaalsContact O-CG 3.29Å; V53-K57 WeakPolarHBondContact O-CG 3.33Å; V53-K57 PolarHBondContact O-N 3.36Å; Y54-K57 PolarHBondContact O-N 3.33Å; K57-H61 WeakPolarHBondContact O-CB 2.93Å; K57-H61 PolarHBondContact O-N 3.27Å; K57-H61 VanDerWaalsContact O-N 3.14Å; K57-I73 HydrophobicContact CB-CG1 4.23Å; K57-I73 WeakPolarHBondContact CE-O 3.34Å; K57-I73 HydrophobicContact CG-CD1 4.25Å; K57-I73 HydrophobicContact CG-CG1 4.01Å; K57-S74 PolarHBondContact NZ-O 3.14Å; K57-V76 WeakPolarHBondContact CE-O 3.46Å; K57-V76 PolarHBondContact NZ-O 3Å
58	K	91.8	Very high	91.9	Very high	117 Å²	117	65.3 Å²	65.3	51%	0.509	30%	0.303	S	S	.	.	H	α-helix	trans	-62.8	-53	179.4	-174.3	-179.8	178.6	-177.3	0	112.2	Y54 A55 L56 S60 H61 Q62	Y54-K58 HydrophobicContact CE1-CD 4.49Å; Y54-K58 WeakPolarHBondContact O-CB 3.32Å; Y54-K58 PolarHBondContact O-N 3.09Å; A55-K58 PolarHBondContact O-N 3.44Å; L56-K58 VanDerWaalsContact C-N 3.32Å; L56-K58 PolarHBondContact O-N 3.34Å; K58-S60 PolarHBondContact O-N 3.07Å; K58-H61 PolarHBondContact O-N 3.32Å; K58-Q62 WeakPolarHBondContact O-CG 3.42Å; K58-Q62 PolarHBondContact O-N 2.86Å; K58-Q62 VanDerWaalsContact O-N 3.13Å
59	I	92.1	Very high	91.6	Very high	13 Å²	13	61.9 Å²	61.9	7%	0.067	29%	0.288	C	S	.	.	H	α-helix	trans	-66.5	-38.1	-177.9	-169.2	61	0	0	0	111.8	A55 L56 H61 Q62 L63 L94 F97	A55-I59 PolarHBondContact O-N 3.38Å; L56-I59 WeakPolarHBondContact O-CG2 3.46Å; I59-H61 VanDerWaalsContact C-N 3.32Å; I59-H61 PolarHBondContact O-N 2.95Å; I59-Q62 PolarHBondContact O-N 3Å; I59-L63 HydrophobicContact CD1-CD1 3.89Å; I59-L63 HydrophobicContact CD1-CG 3.98Å; I59-L63 HydrophobicContact CG1-CD1 3.71Å; I59-L63 HydrophobicContact CG1-CG 4.15Å; I59-L63 WeakPolarHBondContact O-CB 3.49Å; I59-L63 WeakPolarHBondContact O-CG 3.38Å; I59-L63 PolarHBondContact O-N 2.48Å; I59-L94 HydrophobicContact CG1-CD1 4.14Å; I59-L94 HydrophobicContact CG2-CD1 4.02Å; I59-F97 HydrophobicContact CB-CD1 3.97Å; I59-F97 HydrophobicContact CB-CD2 4.45Å; I59-F97 HydrophobicContact CB-CE1 3.85Å; I59-F97 HydrophobicContact CB-CE2 4.33Å; I59-F97 HydrophobicContact CB-CG 4.26Å; I59-F97 HydrophobicContact CB-CZ 4.01Å; I59-F97 HydrophobicContact CD1-CB 4.44Å; I59-F97 HydrophobicContact CD1-CD2 4.29Å; I59-F97 HydrophobicContact CD1-CG 4.25Å; I59-F97 HydrophobicContact CG1-CB 4.3Å; I59-F97 HydrophobicContact CG1-CD1 3.98Å; I59-F97 HydrophobicContact CG1-CD2 4.34Å; I59-F97 HydrophobicContact CG1-CE1 4.38Å; I59-F97 HydrophobicContact CG1-CG 3.94Å; I59-F97 HydrophobicContact CG2-CD1 3.78Å; I59-F97 HydrophobicContact CG2-CE1 3.55Å; I59-F97 HydrophobicContact CG2-CZ 4.14Å
60	S	89.8	Confident	91.3	Very high	4 Å²	4	59.6 Å²	59.6	3%	0.028	27%	0.274	C	S	.	.	H	α-helix	trans	-63.4	-39.4	179.1	-65.2	0	0	0	0	111.8	L56 K58 K64 V65 I73	L56-S60 WeakPolarHBondContact O-CB 3.36Å; L56-S60 PolarHBondContact O-N 2.8Å; L56-S60 PolarHBondContact O-OG 2.7Å; K58-S60 PolarHBondContact O-N 3.07Å; S60-K64 PolarHBondContact O-N 2.82Å; S60-V65 PolarHBondContact O-N 2.89Å; S60-I73 VanDerWaalsContact CB-CD1 3.44Å
61	H	87.4	Confident	90.8	Very high	145 Å²	145	54.7 Å²	54.7	67%	0.671	25%	0.253	S	S	*	.	H	α-helix	trans	-66.2	-42.8	174.8	-177.4	-91.7	0	0	0	111.9	K57 K58 I59 K64	K57-H61 WeakPolarHBondContact O-CB 2.93Å; K57-H61 PolarHBondContact O-N 3.27Å; K57-H61 VanDerWaalsContact O-N 3.14Å; K58-H61 PolarHBondContact O-N 3.32Å; I59-H61 VanDerWaalsContact C-N 3.32Å; I59-H61 PolarHBondContact O-N 2.95Å; H61-K64 PolarHBondContact O-N 3.4Å
62	Q	88.7	Confident	90.3	Very high	120 Å²	120	49.4 Å²	49.4	56%	0.561	23%	0.231	S	C	*	.	H	α-helix	trans	-63.1	-44.4	177.7	-71.7	175.9	-15.6	0	0	112.2	K58 I59 K64	K58-Q62 WeakPolarHBondContact O-CG 3.42Å; K58-Q62 PolarHBondContact O-N 2.86Å; K58-Q62 VanDerWaalsContact O-N 3.13Å; I59-Q62 PolarHBondContact O-N 3Å; Q62-K64 VanDerWaalsContact C-N 3.34Å
63	L	89	Confident	89.8	Confident	42 Å²	42	49.8 Å²	49.8	22%	0.22	23%	0.234	C	C	.	.	H	α-helix	trans	-82.9	-9.5	-177.4	-63.2	-179.6	0	0	0	113.7	I59 V65 I86 A93 L94	I59-L63 HydrophobicContact CD1-CD1 3.89Å; I59-L63 HydrophobicContact CD1-CG 3.98Å; I59-L63 HydrophobicContact CG1-CD1 3.71Å; I59-L63 HydrophobicContact CG1-CG 4.15Å; I59-L63 WeakPolarHBondContact O-CB 3.49Å; I59-L63 WeakPolarHBondContact O-CG 3.38Å; I59-L63 PolarHBondContact O-N 2.48Å; L63-V65 HydrophobicContact CB-CG1 3.78Å; L63-V65 PolarHBondContact O-N 2.86Å; L63-I86 HydrophobicContact CB-CD1 4.38Å; L63-I86 HydrophobicContact CD1-CD1 3.84Å; L63-A93 HydrophobicContact CD1-CB 4.5Å; L63-A93 HydrophobicContact CD2-CB 4.16Å; L63-L94 HydrophobicContact CD1-CB 3.78Å; L63-L94 HydrophobicContact CD1-CD1 4.36Å
64	K	85.1	Confident	89.4	Confident	167 Å²	167	53 Å²	53	73%	0.726	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	53.5	-177.7	-61.3	-178.9	178.8	177.6	0	112.3	S60 H61 Q62	S60-K64 PolarHBondContact O-N 2.82Å; H61-K64 PolarHBondContact O-N 3.4Å; Q62-K64 VanDerWaalsContact C-N 3.34Å
65	V	87.9	Confident	89	Confident	22 Å²	22	46.2 Å²	46.2	13%	0.133	23%	0.23	C	C	.	.			trans	-69.5	153.9	-174.8	-54.9	0	0	0	0	112.9	S60 L63 L67 V84 I86	S60-V65 PolarHBondContact O-N 2.89Å; L63-V65 HydrophobicContact CB-CG1 3.78Å; L63-V65 PolarHBondContact O-N 2.86Å; V65-L67 HydrophobicContact CG2-CD2 3.82Å; V65-L67 HydrophobicContact CG2-CG 4.14Å; V65-V84 HydrophobicContact CB-CG1 3.42Å; V65-V84 VanDerWaalsContact CB-CG1 3.42Å; V65-V84 HydrophobicContact CG1-CG1 3.86Å; V65-V84 HydrophobicContact CG2-CG1 3.72Å; V65-I86 HydrophobicContact CG1-CD1 3.94Å; V65-I86 HydrophobicContact CG1-CG1 4.44Å
66	D	89.7	Confident	88.8	Confident	12 Å²	12	45.2 Å²	45.2	6%	0.064	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	111.4	169.7	169.4	25.6	0	0	0	108.6	W68 H85 R198	D66-W68 PolarHBondContact OD2-NE1 3.31Å; D66-H85 HydrophobicContact CB-CB 4.1Å; D66-H85 PolarHBondContact N-O 3.26Å; D66-H85 VanDerWaalsContact N-O 3.11Å; D66-H85 PolarHBondContact O-N 2.88Å; D66-H85 IonicContact OD2-CE1 3.71Å; D66-H85 IonicContact OD2-CG 2.7Å; D66-H85 IonicContact OD2-ND1 3Å; D66-H85 PolarHBondContact OD2-ND1 3Å; D66-R198 IonicContact OD1-NH1 3.89Å; D66-R198 PolarHBondContact OD1-NH1 3.28Å; D66-R198 VanDerWaalsContact OD1-NH1 3.09Å; D66-R198 IonicContact OD2-NH1 3.32Å
67	L	90.8	Very high	88.7	Confident	17 Å²	17	47.8 Å²	47.8	9%	0.089	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	121.8	179.3	-62.9	173.2	0	0	0	110.1	V65 P70 I73 T82 V84 R198	V65-L67 HydrophobicContact CG2-CD2 3.82Å; V65-L67 HydrophobicContact CG2-CG 4.14Å; L67-P70 WeakPolarHBondContact CB-O 3.27Å; L67-I73 HydrophobicContact CD1-CB 3.89Å; L67-I73 HydrophobicContact CD1-CD1 4.3Å; L67-T82 HydrophobicContact CD2-CG2 4.27Å; L67-V84 HydrophobicContact CD2-CG2 3.69Å; L67-R198 PolarHBondContact O-NH2 3.13Å
68	W	92.9	Very high	88.7	Confident	13 Å²	13	50.1 Å²	50.1	5%	0.049	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-40.5	173	-76.4	19.5	0	0	0	110.6	V42 D66 D83 H85 I109 L112 F252 Y326 F407	V42-W68 HydrophobicContact CG1-CD2 4.4Å; V42-W68 HydrophobicContact CG1-CE3 4.02Å; V42-W68 HydrophobicContact CG1-CZ3 4.21Å; V42-W68 HydrophobicContact CG2-CE3 4.34Å; V42-W68 HydrophobicContact CG2-CH2 3.67Å; V42-W68 HydrophobicContact CG2-CZ2 3.83Å; V42-W68 HydrophobicContact CG2-CZ3 3.95Å; D66-W68 PolarHBondContact OD2-NE1 3.31Å; W68-D83 HydrophobicContact CB-CB 3.99Å; W68-D83 PolarHBondContact N-O 3.33Å; W68-H85 HydrophobicContact CG-CB 4.45Å; W68-H85 HydrophobicContact CZ2-CB 4.3Å; W68-H85 AromaticContact NE1-CG 3.9Å; W68-I109 HydrophobicContact CH2-CD1 4.2Å; W68-I109 HydrophobicContact CZ3-CD1 4.29Å; W68-L112 HydrophobicContact CH2-CD1 4.21Å; W68-L112 HydrophobicContact CZ2-CD1 4.48Å; W68-F252 HydrophobicContact CH2-CD1 4.21Å; W68-F252 AromaticContact CH2-CE1 3.58Å; W68-F252 HydrophobicContact CH2-CE1 3.58Å; W68-F252 HydrophobicContact CH2-CZ 4.21Å; W68-F252 AromaticContact CZ2-CD1 3.49Å; W68-F252 HydrophobicContact CZ2-CD1 3.49Å; W68-F252 VanDerWaalsContact CZ2-CD1 3.49Å; W68-F252 AromaticContact CZ2-CE1 3.27Å; W68-F252 HydrophobicContact CZ2-CE1 3.27Å; W68-F252 HydrophobicContact CZ2-CG 4.3Å; W68-F252 AromaticContact CZ2-CZ 3.94Å; W68-F252 HydrophobicContact CZ2-CZ 3.94Å; W68-Y326 HydrophobicContact CB-CE1 4.25Å; W68-Y326 WeakPolarHBondContact CB-OH 3.19Å; W68-Y326 AromaticContact CE3-CE1 3.94Å; W68-Y326 HydrophobicContact CE3-CE1 3.94Å; W68-F407 HydrophobicContact CB-CE2 3.72Å; W68-F407 HydrophobicContact CB-CZ 4.26Å; W68-F407 AromaticContact CD1-CE2 3.71Å; W68-F407 AromaticContact CD2-CD2 3.5Å; W68-F407 HydrophobicContact CD2-CD2 3.5Å; W68-F407 VanDerWaalsContact CD2-CD2 3.5Å; W68-F407 AromaticContact CD2-CE2 3.47Å; W68-F407 HydrophobicContact CD2-CE2 3.47Å; W68-F407 VanDerWaalsContact CD2-CE2 3.47Å; W68-F407 AromaticContact CE2-CD2 3.65Å; W68-F407 AromaticContact CE2-CE2 3.9Å; W68-F407 AromaticContact CE3-CD2 3.73Å; W68-F407 HydrophobicContact CE3-CD2 3.73Å; W68-F407 AromaticContact CE3-CE2 3.97Å; W68-F407 HydrophobicContact CE3-CE2 3.97Å; W68-F407 AromaticContact CG-CD2 3.93Å; W68-F407 HydrophobicContact CG-CD2 3.93Å; W68-F407 AromaticContact CG-CE2 3.36Å; W68-F407 HydrophobicContact CG-CE2 3.36Å; W68-F407 HydrophobicContact CG-CZ 4.35Å; W68-F407 HydrophobicContact CH2-CD2 4.25Å; W68-F407 HydrophobicContact CZ2-CD2 4.05Å; W68-F407 HydrophobicContact CZ3-CD2 4.1Å; W68-F407 AromaticContact NE1-CE2 3.97Å
69	Q	89.5	Confident	88.6	Confident	28 Å²	28	47 Å²	47	13%	0.131	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	133.2	174.3	-176	172.4	-5.4	0	0	109.2	T82 D83	Q69-T82 CarbonylContact O-C 3.59Å; Q69-T82 WeakPolarHBondContact O-CA 3.36Å; Q69-D83 HydrophobicContact CB-CB 4.38Å; Q69-D83 PolarHBondContact N-O 3.41Å; Q69-D83 PolarHBondContact O-N 2.92Å
70	P	89.9	Confident	88.6	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.019	26%	0.259	C	S	.	.	S	Bend	cis	-66.7	176.8	-15.5	32.3	-35.8	0	0	0	111.7	L67 S72 Y75 V76 T80 Y376	L67-P70 WeakPolarHBondContact CB-O 3.27Å; P70-S72 PolarHBondContact O-N 3.08Å; P70-Y75 HydrophobicContact CB-CD2 4.05Å; P70-Y75 HydrophobicContact CB-CG 4.45Å; P70-Y75 HydrophobicContact CG-CD2 4.46Å; P70-V76 HydrophobicContact CG-CG2 4.11Å; P70-T80 HydrophobicContact CG-CG2 4.3Å; P70-Y376 HydrophobicContact CB-CD1 3.58Å; P70-Y376 HydrophobicContact CB-CE1 3.5Å
71	S	82.5	Confident	88.7	Confident	16 Å²	16	49.9 Å²	49.9	11%	0.112	27%	0.271	C	S	.	.	S	Bend	trans	-73.5	-10.1	-176.2	56.4	0	0	0	0	115.1	R272 T291 Y376	S71-R272 PolarHBondContact OG-NH2 3.45Å; S71-R272 VanDerWaalsContact OG-NH2 3.09Å; S71-T291 WeakPolarHBondContact O-CG2 3.46Å; S71-Y376 VanDerWaalsContact CB-OH 3.27Å; S71-Y376 WeakPolarHBondContact CB-OH 3.4Å; S71-Y376 PolarHBondContact N-OH 3.26Å; S71-Y376 WeakPolarHBondContact OG-CE2 3.36Å; S71-Y376 VanDerWaalsContact OG-CZ 3.26Å; S71-Y376 PolarHBondContact OG-OH 3.14Å
72	S	85.1	Confident	89.1	Confident	26 Å²	26	43 Å²	43	18%	0.182	24%	0.239	C	C	.	.	S	Bend	trans	-148	148.4	-179.8	174.2	0	0	0	0	110.6	P70 S74 Y75	P70-S72 PolarHBondContact O-N 3.08Å; S72-S74 WeakPolarHBondContact CB-OG 3.42Å; S72-S74 PolarHBondContact O-N 2.86Å; S72-S74 PolarHBondContact OG-N 3.33Å; S72-S74 PolarHBondContact OG-OG 3.13Å; S72-Y75 VanDerWaalsContact CB-CE2 3.5Å; S72-Y75 WeakPolarHBondContact O-CD2 3.36Å; S72-Y75 PolarHBondContact O-N 2.86Å
73	I	85.4	Confident	89.4	Confident	43 Å²	43	37.3 Å²	37.3	22%	0.221	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-64.8	-24.1	-179.7	-163.8	51.2	0	0	0	112.2	K57 S60 L67 Y75 V76	K57-I73 HydrophobicContact CB-CG1 4.23Å; K57-I73 WeakPolarHBondContact CE-O 3.34Å; K57-I73 HydrophobicContact CG-CD1 4.25Å; K57-I73 HydrophobicContact CG-CG1 4.01Å; S60-I73 VanDerWaalsContact CB-CD1 3.44Å; L67-I73 HydrophobicContact CD1-CB 3.89Å; L67-I73 HydrophobicContact CD1-CD1 4.3Å; I73-Y75 PolarHBondContact O-N 3.3Å; I73-V76 HydrophobicContact CD1-CB 4.42Å; I73-V76 HydrophobicContact CD1-CG2 3.8Å; I73-V76 PolarHBondContact O-N 2.93Å
74	S	84.9	Confident	89.7	Confident	68 Å²	68	35.3 Å²	35.3	48%	0.476	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-57.9	-28.9	176.8	54.6	0	0	0	0	113.1	K57 S72	K57-S74 PolarHBondContact NZ-O 3.14Å; S72-S74 WeakPolarHBondContact CB-OG 3.42Å; S72-S74 PolarHBondContact O-N 2.86Å; S72-S74 PolarHBondContact OG-N 3.33Å; S72-S74 PolarHBondContact OG-OG 3.13Å
75	Y	85.5	Confident	90.1	Very high	22 Å²	22	27.6 Å²	27.6	9%	0.086	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-94.1	-1.8	-176	-46.7	-64.3	0	0	0	114.7	P70 S72 I73 S77 G282 Y376 V377	P70-Y75 HydrophobicContact CB-CD2 4.05Å; P70-Y75 HydrophobicContact CB-CG 4.45Å; P70-Y75 HydrophobicContact CG-CD2 4.46Å; S72-Y75 VanDerWaalsContact CB-CE2 3.5Å; S72-Y75 WeakPolarHBondContact O-CD2 3.36Å; S72-Y75 PolarHBondContact O-N 2.86Å; I73-Y75 PolarHBondContact O-N 3.3Å; Y75-S77 PolarHBondContact O-N 3.5Å; Y75-S77 VanDerWaalsContact O-N 3.11Å; Y75-G282 VanDerWaalsContact CZ-CA 3.47Å; Y75-G282 WeakPolarHBondContact OH-CA 3.48Å; Y75-G282 PolarHBondContact OH-O 2.92Å; Y75-Y376 HydrophobicContact CD1-CD2 4.22Å; Y75-Y376 HydrophobicContact CD1-CG 4.21Å; Y75-Y376 HydrophobicContact CD2-CD1 4.36Å; Y75-Y376 AromaticContact CD2-CD2 3.86Å; Y75-Y376 HydrophobicContact CD2-CD2 3.86Å; Y75-Y376 HydrophobicContact CD2-CE2 4.18Å; Y75-Y376 AromaticContact CD2-CG 3.99Å; Y75-Y376 HydrophobicContact CD2-CG 3.99Å; Y75-Y376 AromaticContact CE1-CD2 3.95Å; Y75-Y376 HydrophobicContact CE1-CD2 3.95Å; Y75-Y376 HydrophobicContact CE1-CG 4.38Å; Y75-Y376 AromaticContact CE2-CD2 3.55Å; Y75-Y376 HydrophobicContact CE2-CD2 3.55Å; Y75-Y376 AromaticContact CE2-CE2 3.68Å; Y75-Y376 HydrophobicContact CE2-CE2 3.68Å; Y75-Y376 HydrophobicContact CE2-CG 4.16Å; Y75-Y376 HydrophobicContact CG-CD1 4.48Å; Y75-Y376 HydrophobicContact CG-CD2 4.12Å; Y75-Y376 AromaticContact CG-CG 3.94Å; Y75-Y376 HydrophobicContact CG-CG 3.94Å; Y75-Y376 AromaticContact CZ-CD2 3.51Å; Y75-Y376 AromaticContact CZ-CE2 3.96Å; Y75-V377 WeakPolarHBondContact CE1-O 3.35Å; Y75-V377 PolarHBondContact OH-O 3.22Å
76	V	90	Very high	90.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.162	C	C	.	.			trans	-65.6	117.4	170.2	178.6	0	0	0	0	106.8	P47 V53 K57 P70 I73 T82	P47-V76 HydrophobicContact CG-CG1 3.95Å; V53-V76 VanDerWaalsContact CG1-O 3.24Å; V53-V76 WeakPolarHBondContact CG1-O 3.25Å; K57-V76 WeakPolarHBondContact CE-O 3.46Å; K57-V76 PolarHBondContact NZ-O 3Å; P70-V76 HydrophobicContact CG-CG2 4.11Å; I73-V76 HydrophobicContact CD1-CB 4.42Å; I73-V76 HydrophobicContact CD1-CG2 3.8Å; I73-V76 PolarHBondContact O-N 2.93Å; V76-T82 HydrophobicContact CG2-CG2 3.86Å
77	S	91.6	Very high	90.6	Very high	55 Å²	55	27 Å²	27	39%	0.385	17%	0.166	S	C	.	.			trans	-141.9	169.5	178.3	60.7	0	0	0	0	108.7	P47 Y75 G79 T80	P47-S77 VanDerWaalsContact CG-O 3.29Å; P47-S77 WeakPolarHBondContact CG-O 3.46Å; Y75-S77 PolarHBondContact O-N 3.5Å; Y75-S77 VanDerWaalsContact O-N 3.11Å; S77-G79 PolarHBondContact O-N 3Å; S77-T80 PolarHBondContact N-OG1 3.28Å; S77-T80 WeakPolarHBondContact O-CB 3.18Å; S77-T80 PolarHBondContact O-N 3.38Å; S77-T80 PolarHBondContact O-OG1 3.16Å; S77-T80 PolarHBondContact OG-OG1 3.42Å
78	E	92.9	Very high	90.6	Very high	119 Å²	119	30.4 Å²	30.4	56%	0.556	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.9	134.1	179	-168.3	-179.9	128.4	0	0	112	K48 T80	K48-E78 VanDerWaalsContact O-CD 3.27Å; K48-E78 WeakPolarHBondContact O-CG 3.5Å; E78-T80 PolarHBondContact O-N 2.01Å; E78-T80 VanDerWaalsContact O-N 3.15Å
79	G	91.1	Very high	90.4	Very high	51 Å²	51	36.1 Å²	36.1	53%	0.526	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	74	-3.7	-178.9	0	0	0	0	0	115.3	P47 S77 V81	P47-G79 PolarHBondContact O-N 3.48Å; S77-G79 PolarHBondContact O-N 3Å; G79-V81 PolarHBondContact O-N 2.93Å
80	T	90.9	Very high	90.6	Very high	33 Å²	33	35.5 Å²	35.5	20%	0.202	21%	0.213	C	C	.	.			trans	-73	119.5	-179.2	-59.5	0	0	0	0	111.1	P47 P70 S77 E78 T82	P47-T80 VanDerWaalsContact CD-O 3.3Å; P47-T80 WeakPolarHBondContact CD-O 3.49Å; P70-T80 HydrophobicContact CG-CG2 4.3Å; S77-T80 PolarHBondContact N-OG1 3.28Å; S77-T80 WeakPolarHBondContact O-CB 3.18Å; S77-T80 PolarHBondContact O-N 3.38Å; S77-T80 PolarHBondContact O-OG1 3.16Å; S77-T80 PolarHBondContact OG-OG1 3.42Å; E78-T80 PolarHBondContact O-N 2.01Å; E78-T80 VanDerWaalsContact O-N 3.15Å; T80-T82 PolarHBondContact O-N 3.4Å; T80-T82 VanDerWaalsContact O-N 3.11Å; T80-T82 PolarHBondContact O-OG1 3.41Å
81	V	93.1	Very high	90.7	Very high	46 Å²	46	35.5 Å²	35.5	28%	0.279	21%	0.214	S	C	.	.			trans	-62	116	169.8	179.1	0	0	0	0	109.3	R44 I46 G79	R44-V81 HydrophobicContact CG-CG1 4.4Å; R44-V81 VanDerWaalsContact CZ-CG1 3.49Å; I46-V81 HydrophobicContact CD1-CG2 4.1Å; I46-V81 HydrophobicContact CG1-CG2 4.33Å; G79-V81 PolarHBondContact O-N 2.93Å
82	T	94.6	Very high	91.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	114	-177.9	-52.5	0	0	0	0	110.8	R44 F45 L67 Q69 V76 T80 V84	R44-T82 CarbonylContact C-O 3.53Å; R44-T82 VanDerWaalsContact CA-O 3.28Å; R44-T82 WeakPolarHBondContact CA-O 3.49Å; F45-T82 HydrophobicContact CD2-CG2 4.03Å; F45-T82 HydrophobicContact CE1-CG2 4.43Å; F45-T82 HydrophobicContact CE2-CG2 3.23Å; F45-T82 HydrophobicContact CZ-CG2 3.49Å; F45-T82 VanDerWaalsContact CZ-CG2 3.49Å; F45-T82 PolarHBondContact N-O 3.41Å; F45-T82 PolarHBondContact O-N 2.7Å; L67-T82 HydrophobicContact CD2-CG2 4.27Å; Q69-T82 CarbonylContact O-C 3.59Å; Q69-T82 WeakPolarHBondContact O-CA 3.36Å; V76-T82 HydrophobicContact CG2-CG2 3.86Å; T80-T82 PolarHBondContact O-N 3.4Å; T80-T82 VanDerWaalsContact O-N 3.11Å; T80-T82 PolarHBondContact O-OG1 3.41Å; T82-V84 HydrophobicContact CG2-CG2 3.99Å
83	D	95.9	Very high	91.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	124.4	177.8	-66.8	-16.7	0	0	0	110.1	R44 W68 Q69 Y326	R44-D83 WeakPolarHBondContact CB-OD1 3.45Å; R44-D83 IonicContact CZ-OD1 3.69Å; R44-D83 VanDerWaalsContact CZ-OD1 3.28Å; R44-D83 IonicContact CZ-OD2 3.3Å; R44-D83 IonicContact NE-OD1 2.84Å; R44-D83 PolarHBondContact NE-OD1 3.21Å; R44-D83 IonicContact NE-OD2 3.73Å; R44-D83 IonicContact NH2-OD1 3.93Å; R44-D83 PolarHBondContact NH2-OD1 2.97Å; R44-D83 IonicContact NH2-OD2 3.28Å; R44-D83 PolarHBondContact NH2-OD2 3.5Å; W68-D83 HydrophobicContact CB-CB 3.99Å; W68-D83 PolarHBondContact N-O 3.33Å; Q69-D83 HydrophobicContact CB-CB 4.38Å; Q69-D83 PolarHBondContact N-O 3.41Å; Q69-D83 PolarHBondContact O-N 2.92Å; D83-Y326 WeakPolarHBondContact CB-OH 3.48Å; D83-Y326 PolarHBondContact OD2-OH 2.94Å
84	V	94.6	Very high	92	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	120.1	-173.7	-174.1	0	0	0	0	110.1	V42 I43 F45 V65 L67 T82 I86 L94	V42-V84 CarbonylContact C-O 3.54Å; V42-V84 VanDerWaalsContact CA-O 3.3Å; V42-V84 WeakPolarHBondContact CA-O 3.11Å; I43-V84 PolarHBondContact N-O 3.45Å; I43-V84 PolarHBondContact O-N 2.8Å; F45-V84 HydrophobicContact CD1-CG2 4.47Å; F45-V84 HydrophobicContact CE1-CB 4.22Å; F45-V84 HydrophobicContact CE1-CG2 3.34Å; F45-V84 HydrophobicContact CZ-CG2 3.38Å; V65-V84 HydrophobicContact CB-CG1 3.42Å; V65-V84 VanDerWaalsContact CB-CG1 3.42Å; V65-V84 HydrophobicContact CG1-CG1 3.86Å; V65-V84 HydrophobicContact CG2-CG1 3.72Å; L67-V84 HydrophobicContact CD2-CG2 3.69Å; T82-V84 HydrophobicContact CG2-CG2 3.99Å; V84-I86 HydrophobicContact CG1-CB 4.44Å; V84-L94 HydrophobicContact CG1-CD2 4.5Å
85	H	94.4	Very high	92.5	Very high	5 Å²	5	40 Å²	40	2%	0.023	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	124.9	162.5	165.7	-139	0	0	0	109.3	D40 K41 V42 D66 W68 L112	D40-H85 IonicContact OD2-NE2 2.66Å; D40-H85 PolarHBondContact OD2-NE2 3.34Å; K41-H85 WeakPolarHBondContact O-CA 3.28Å; V42-H85 HydrophobicContact CG2-CB 4.33Å; D66-H85 HydrophobicContact CB-CB 4.1Å; D66-H85 PolarHBondContact N-O 3.26Å; D66-H85 VanDerWaalsContact N-O 3.11Å; D66-H85 PolarHBondContact O-N 2.88Å; D66-H85 IonicContact OD2-CE1 3.71Å; D66-H85 IonicContact OD2-CG 2.7Å; D66-H85 IonicContact OD2-ND1 3Å; D66-H85 PolarHBondContact OD2-ND1 3Å; W68-H85 HydrophobicContact CG-CB 4.45Å; W68-H85 HydrophobicContact CZ2-CB 4.3Å; W68-H85 AromaticContact NE1-CG 3.9Å; H85-L112 WeakPolarHBondContact NE2-CD2 3.37Å
86	I	93.8	Very high	92.9	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	137	-178.2	-167.9	166.1	0	0	0	111	K41 I43 L63 V65 V84 G90 L94	K41-I86 HydrophobicContact CB-CG2 4.46Å; K41-I86 PolarHBondContact N-O 3.05Å; K41-I86 PolarHBondContact O-N 3.43Å; I43-I86 HydrophobicContact CD1-CG2 4.03Å; L63-I86 HydrophobicContact CB-CD1 4.38Å; L63-I86 HydrophobicContact CD1-CD1 3.84Å; V65-I86 HydrophobicContact CG1-CD1 3.94Å; V65-I86 HydrophobicContact CG1-CG1 4.44Å; V84-I86 HydrophobicContact CG1-CB 4.44Å; I86-G90 VanDerWaalsContact CD1-O 3.31Å; I86-G90 WeakPolarHBondContact CD1-O 3.35Å; I86-L94 HydrophobicContact CD1-CB 3.78Å; I86-L94 HydrophobicContact CD1-CD2 3.79Å; I86-L94 HydrophobicContact CD1-CG 4.41Å; I86-L94 HydrophobicContact CG2-CD2 4.29Å
87	P	93.1	Very high	93.2	Very high	20 Å²	20	43.8 Å²	43.8	13%	0.13	25%	0.249	C	C	.	.			trans	-67.2	159.4	178.4	-31.2	42.4	0	0	0	114.5	M1 D40 N89 G90 S91	M1-P87 HydrophobicContact CB-CG 4.15Å; M1-P87 HydrophobicContact CE-CB 4.22Å; M1-P87 HydrophobicContact CE-CG 3.61Å; M1-P87 HydrophobicContact CG-CG 3.76Å; M1-P87 HydrophobicContact SD-CG 3.44Å; M1-P87 WeakPolarHBondContact SD-CG 3.43Å; D40-P87 VanDerWaalsContact CG-CA 3.47Å; D40-P87 WeakPolarHBondContact OD1-CA 3.45Å; D40-P87 WeakPolarHBondContact OD1-CB 3.2Å; P87-N89 VanDerWaalsContact C-N 3.26Å; P87-N89 PolarHBondContact O-N 3.25Å; P87-N89 VanDerWaalsContact O-N 3.09Å; P87-G90 CarbonylContact O-C 3.58Å; P87-G90 WeakPolarHBondContact O-CA 3.43Å; P87-G90 PolarHBondContact O-N 3.33Å; P87-S91 PolarHBondContact O-N 2.85Å
88	Q	91.5	Very high	93.3	Very high	89 Å²	89	41.1 Å²	41.1	42%	0.416	23%	0.231	S	C	.	.	H	α-helix	trans	-46.1	-47.8	-175.4	-167.8	-178.6	28.7	0	0	113.4	G39 D40 S91	G39-Q88 WeakPolarHBondContact O-CA 3.29Å; G39-Q88 WeakPolarHBondContact O-CB 3.45Å; D40-Q88 PolarHBondContact OD1-N 3.06Å; D40-Q88 VanDerWaalsContact OD1-N 3.08Å; Q88-S91 PolarHBondContact O-N 3.14Å; Q88-S91 PolarHBondContact O-OG 3.42Å
89	N	88.6	Confident	93.4	Very high	132 Å²	132	41.4 Å²	41.4	71%	0.706	23%	0.232	S	C	*	.	H	α-helix	trans	-65.4	-41.5	179.8	-69.8	-10.1	0	0	0	112.7	P87 S91	P87-N89 VanDerWaalsContact C-N 3.26Å; P87-N89 PolarHBondContact O-N 3.25Å; P87-N89 VanDerWaalsContact O-N 3.09Å; N89-S91 VanDerWaalsContact C-N 3.33Å
90	G	92.3	Very high	93.6	Very high	15 Å²	15	47.4 Å²	47.4	16%	0.155	25%	0.247	C	C	.	.	H	α-helix	trans	-70.5	-31.1	177.7	0	0	0	0	0	112.4	I86 P87 R92 A93 L94	I86-G90 VanDerWaalsContact CD1-O 3.31Å; I86-G90 WeakPolarHBondContact CD1-O 3.35Å; P87-G90 CarbonylContact O-C 3.58Å; P87-G90 WeakPolarHBondContact O-CA 3.43Å; P87-G90 PolarHBondContact O-N 3.33Å; G90-R92 VanDerWaalsContact C-N 3.29Å; G90-R92 PolarHBondContact O-N 3.01Å; G90-A93 PolarHBondContact O-N 3.35Å; G90-L94 PolarHBondContact O-N 2.72Å
91	S	92.9	Very high	93.8	Very high	4 Å²	4	47.9 Å²	47.9	3%	0.028	25%	0.254	C	S	.	.	H	α-helix	trans	-60.1	-38	-178.7	78.2	0	0	0	0	112.3	P87 Q88 N89 L94 L95	P87-S91 PolarHBondContact O-N 2.85Å; Q88-S91 PolarHBondContact O-N 3.14Å; Q88-S91 PolarHBondContact O-OG 3.42Å; N89-S91 VanDerWaalsContact C-N 3.33Å; S91-L94 PolarHBondContact O-N 2.8Å; S91-L95 VanDerWaalsContact O-CB 3.3Å; S91-L95 WeakPolarHBondContact O-CB 3.01Å; S91-L95 WeakPolarHBondContact O-CD1 3.42Å; S91-L95 WeakPolarHBondContact O-CG 3.21Å; S91-L95 PolarHBondContact O-N 3.37Å
92	R	91.5	Very high	93.8	Very high	175 Å²	175	52.3 Å²	52.3	66%	0.66	28%	0.276	S	S	*	.	H	α-helix	trans	-63.3	-47	177.3	-66.3	-178	-178.3	171.7	0.5	111.7	G90 L95 A96	G90-R92 VanDerWaalsContact C-N 3.29Å; G90-R92 PolarHBondContact O-N 3.01Å; R92-L95 PolarHBondContact O-N 2.86Å; R92-A96 WeakPolarHBondContact O-CB 2.94Å; R92-A96 PolarHBondContact O-N 2.76Å
93	A	93.7	Very high	93.8	Very high	47 Å²	47	52.6 Å²	52.6	39%	0.388	28%	0.278	S	S	.	.	H	α-helix	trans	-64.7	-43.7	178.6	0	0	0	0	0	111.7	L63 G90 F97	L63-A93 HydrophobicContact CD1-CB 4.5Å; L63-A93 HydrophobicContact CD2-CB 4.16Å; G90-A93 PolarHBondContact O-N 3.35Å; A93-F97 WeakPolarHBondContact O-CB 3.29Å; A93-F97 PolarHBondContact O-N 2.95Å
94	L	94.8	Very high	93.7	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.9	-45	177.6	-179	59.5	0	0	0	111.7	I43 I59 L63 V84 I86 G90 S91 F97 L98	I43-L94 HydrophobicContact CD1-CD2 4.19Å; I59-L94 HydrophobicContact CG1-CD1 4.14Å; I59-L94 HydrophobicContact CG2-CD1 4.02Å; L63-L94 HydrophobicContact CD1-CB 3.78Å; L63-L94 HydrophobicContact CD1-CD1 4.36Å; V84-L94 HydrophobicContact CG1-CD2 4.5Å; I86-L94 HydrophobicContact CD1-CB 3.78Å; I86-L94 HydrophobicContact CD1-CD2 3.79Å; I86-L94 HydrophobicContact CD1-CG 4.41Å; I86-L94 HydrophobicContact CG2-CD2 4.29Å; G90-L94 PolarHBondContact O-N 2.72Å; S91-L94 PolarHBondContact O-N 2.8Å; L94-F97 PolarHBondContact O-N 2.95Å; L94-L98 HydrophobicContact CD1-CD1 4.15Å; L94-L98 HydrophobicContact CD1-CG 4.14Å; L94-L98 HydrophobicContact CG-CD1 3.9Å; L94-L98 HydrophobicContact CG-CG 4.35Å; L94-L98 WeakPolarHBondContact O-CB 3.39Å; L94-L98 WeakPolarHBondContact O-CG 3.46Å; L94-L98 PolarHBondContact O-N 2.85Å
95	L	95.2	Very high	93.8	Very high	24 Å²	24	64.8 Å²	64.8	13%	0.126	32%	0.324	C	S	.	.	H	α-helix	trans	-64.9	-42.1	-179.9	-70.6	170.9	0	0	0	112	I43 S91 R92 L98 Q99 Y105 I107	I43-L95 HydrophobicContact CD1-CD2 3.81Å; I43-L95 HydrophobicContact CD1-CG 4.05Å; S91-L95 VanDerWaalsContact O-CB 3.3Å; S91-L95 WeakPolarHBondContact O-CB 3.01Å; S91-L95 WeakPolarHBondContact O-CD1 3.42Å; S91-L95 WeakPolarHBondContact O-CG 3.21Å; S91-L95 PolarHBondContact O-N 3.37Å; R92-L95 PolarHBondContact O-N 2.86Å; L95-L98 PolarHBondContact O-N 2.81Å; L95-Q99 WeakPolarHBondContact O-CB 3.35Å; L95-Q99 VanDerWaalsContact O-CG 3.26Å; L95-Q99 WeakPolarHBondContact O-CG 3.45Å; L95-Q99 PolarHBondContact O-N 2.87Å; L95-Y105 HydrophobicContact CD2-CD2 3.82Å; L95-Y105 HydrophobicContact CD2-CE1 4.3Å; L95-Y105 HydrophobicContact CD2-CE2 3.27Å; L95-I107 HydrophobicContact CD2-CD1 4.48Å
96	A	94.6	Very high	93.9	Very high	52 Å²	52	70.8 Å²	70.8	43%	0.43	35%	0.35	S	S	.	.	H	α-helix	trans	-60.6	-45.8	174.9	0	0	0	0	0	111.5	R92 L98 Q99 E100	R92-A96 WeakPolarHBondContact O-CB 2.94Å; R92-A96 PolarHBondContact O-N 2.76Å; A96-L98 PolarHBondContact O-N 2.86Å; A96-Q99 PolarHBondContact O-N 3.21Å; A96-E100 WeakPolarHBondContact O-CB 3.46Å; A96-E100 PolarHBondContact O-N 3.46Å
97	F	95.4	Very high	94	Very high	50 Å²	50	73.4 Å²	73.4	22%	0.219	36%	0.364	C	S	.	.	H	α-helix	trans	-59.6	-46.3	175.9	175.3	-93.2	0	0	0	112.6	A55 I59 A93 L94 Q99 E100 A101 I103	A55-F97 HydrophobicContact CB-CE1 4.25Å; A55-F97 HydrophobicContact CB-CZ 3.8Å; A55-F97 WeakPolarHBondContact O-CZ 3.4Å; I59-F97 HydrophobicContact CB-CD1 3.97Å; I59-F97 HydrophobicContact CB-CD2 4.45Å; I59-F97 HydrophobicContact CB-CE1 3.85Å; I59-F97 HydrophobicContact CB-CE2 4.33Å; I59-F97 HydrophobicContact CB-CG 4.26Å; I59-F97 HydrophobicContact CB-CZ 4.01Å; I59-F97 HydrophobicContact CD1-CB 4.44Å; I59-F97 HydrophobicContact CD1-CD2 4.29Å; I59-F97 HydrophobicContact CD1-CG 4.25Å; I59-F97 HydrophobicContact CG1-CB 4.3Å; I59-F97 HydrophobicContact CG1-CD1 3.98Å; I59-F97 HydrophobicContact CG1-CD2 4.34Å; I59-F97 HydrophobicContact CG1-CE1 4.38Å; I59-F97 HydrophobicContact CG1-CG 3.94Å; I59-F97 HydrophobicContact CG2-CD1 3.78Å; I59-F97 HydrophobicContact CG2-CE1 3.55Å; I59-F97 HydrophobicContact CG2-CZ 4.14Å; A93-F97 WeakPolarHBondContact O-CB 3.29Å; A93-F97 PolarHBondContact O-N 2.95Å; L94-F97 PolarHBondContact O-N 2.95Å; F97-Q99 VanDerWaalsContact C-N 3.29Å; F97-Q99 PolarHBondContact O-N 2.86Å; F97-E100 PolarHBondContact O-N 2.86Å; F97-A101 VanDerWaalsContact O-CB 3.29Å; F97-A101 WeakPolarHBondContact O-CB 3.4Å; F97-A101 PolarHBondContact O-N 2.86Å; F97-I103 HydrophobicContact CE1-CD1 4.38Å
98	L	95	Very high	94	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-62.6	-38.4	179.4	-69.7	168.8	0	0	0	111.6	I43 F45 L56 L94 L95 A96 N102 I103 Y105	I43-L98 HydrophobicContact CG2-CD1 4.37Å; F45-L98 HydrophobicContact CD1-CD2 4.5Å; L56-L98 HydrophobicContact CD2-CD2 3.6Å; L94-L98 HydrophobicContact CD1-CD1 4.15Å; L94-L98 HydrophobicContact CD1-CG 4.14Å; L94-L98 HydrophobicContact CG-CD1 3.9Å; L94-L98 HydrophobicContact CG-CG 4.35Å; L94-L98 WeakPolarHBondContact O-CB 3.39Å; L94-L98 WeakPolarHBondContact O-CG 3.46Å; L94-L98 PolarHBondContact O-N 2.85Å; L95-L98 PolarHBondContact O-N 2.81Å; A96-L98 PolarHBondContact O-N 2.86Å; L98-N102 PolarHBondContact O-N 3.35Å; L98-I103 HydrophobicContact CD2-CB 3.83Å; L98-I103 HydrophobicContact CD2-CD1 4.31Å; L98-I103 HydrophobicContact CD2-CG2 3.74Å; L98-I103 PolarHBondContact O-N 3.46Å; L98-Y105 HydrophobicContact CB-CD1 3.74Å; L98-Y105 HydrophobicContact CB-CE1 4.1Å; L98-Y105 HydrophobicContact CD1-CD1 3.94Å; L98-Y105 HydrophobicContact CD1-CG 3.96Å; L98-Y105 HydrophobicContact CG-CD1 4.44Å
99	Q	95.2	Very high	94.2	Very high	125 Å²	125	69.8 Å²	69.8	58%	0.584	35%	0.346	S	S	*	.	H	α-helix	trans	-67.3	-46.8	176.3	-72.4	173.1	-13.6	0	0	112	L95 A96 F97 A101 N102 Y105	L95-Q99 WeakPolarHBondContact O-CB 3.35Å; L95-Q99 VanDerWaalsContact O-CG 3.26Å; L95-Q99 WeakPolarHBondContact O-CG 3.45Å; L95-Q99 PolarHBondContact O-N 2.87Å; A96-Q99 PolarHBondContact O-N 3.21Å; F97-Q99 VanDerWaalsContact C-N 3.29Å; F97-Q99 PolarHBondContact O-N 2.86Å; Q99-A101 PolarHBondContact O-N 2.9Å; Q99-N102 PolarHBondContact O-N 3.14Å; Q99-N102 VanDerWaalsContact O-N 3.11Å; Q99-Y105 HydrophobicContact CG-CE1 4.09Å; Q99-Y105 PolarHBondContact NE2-OH 2.66Å; Q99-Y105 VanDerWaalsContact NE2-OH 3.16Å
100	E	95.1	Very high	94.5	Very high	176 Å²	176	69 Å²	69	82%	0.822	34%	0.338	S	S	*	.	H	α-helix	trans	-62.7	-41.6	178.7	-174.5	178.9	-175.8	0	0	112	A96 F97 N102	A96-E100 WeakPolarHBondContact O-CB 3.46Å; A96-E100 PolarHBondContact O-N 3.46Å; F97-E100 PolarHBondContact O-N 2.86Å; E100-N102 PolarHBondContact O-N 3.02Å
101	A	93.6	Very high	94.6	Very high	44 Å²	44	69.6 Å²	69.6	36%	0.364	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	1	176.6	0	0	0	0	0	113.7	F97 Q99 I103	F97-A101 VanDerWaalsContact O-CB 3.29Å; F97-A101 WeakPolarHBondContact O-CB 3.4Å; F97-A101 PolarHBondContact O-N 2.86Å; Q99-A101 PolarHBondContact O-N 2.9Å; A101-I103 HydrophobicContact CB-CD1 3.82Å; A101-I103 HydrophobicContact CB-CG1 3.8Å; A101-I103 PolarHBondContact O-N 3.12Å
102	N	94.1	Very high	94.6	Very high	138 Å²	138	69.4 Å²	69.4	74%	0.738	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	30.6	-175.6	-164.5	30.3	0	0	0	114.1	L98 Q99 E100	L98-N102 PolarHBondContact O-N 3.35Å; Q99-N102 PolarHBondContact O-N 3.14Å; Q99-N102 VanDerWaalsContact O-N 3.11Å; E100-N102 PolarHBondContact O-N 3.02Å
103	I	94.8	Very high	94.7	Very high	6 Å²	6	61.2 Å²	61.2	3%	0.031	31%	0.305	C	S	.	.			trans	-84.6	120.1	179.1	-60.4	176.8	0	0	0	108.6	F45 E52 A55 L56 F97 L98 A101 Y105	F45-I103 HydrophobicContact CB-CG2 4.47Å; E52-I103 HydrophobicContact CB-CD1 4.25Å; E52-I103 HydrophobicContact CB-CG1 4.41Å; E52-I103 HydrophobicContact CG-CD1 4.34Å; E52-I103 HydrophobicContact CG-CG1 4Å; A55-I103 HydrophobicContact CB-CD1 4.32Å; L56-I103 HydrophobicContact CD1-CD1 4.5Å; L56-I103 HydrophobicContact CD1-CG2 4.47Å; L56-I103 HydrophobicContact CD2-CD1 4.1Å; L56-I103 HydrophobicContact CD2-CG2 4.48Å; L56-I103 HydrophobicContact CG-CD1 3.99Å; F97-I103 HydrophobicContact CE1-CD1 4.38Å; L98-I103 HydrophobicContact CD2-CB 3.83Å; L98-I103 HydrophobicContact CD2-CD1 4.31Å; L98-I103 HydrophobicContact CD2-CG2 3.74Å; L98-I103 PolarHBondContact O-N 3.46Å; A101-I103 HydrophobicContact CB-CD1 3.82Å; A101-I103 HydrophobicContact CB-CG1 3.8Å; A101-I103 PolarHBondContact O-N 3.12Å; I103-Y105 PolarHBondContact O-N 2.87Å
104	R	93.9	Very high	94.6	Very high	177 Å²	177	64.8 Å²	64.8	67%	0.668	31%	0.312	S	S	*	.			trans	-68	131.6	178.5	-77.3	-173.9	-95.5	-173.9	-16.1	111.5
105	Y	95.6	Very high	94.4	Very high	80 Å²	80	67.1 Å²	67.1	31%	0.314	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	164.2	177.8	68.4	-90.3	0	0	0	112.4	I43 R44 L95 L98 Q99 I103 I107	I43-Y105 HydrophobicContact CG2-CD2 4.07Å; I43-Y105 HydrophobicContact CG2-CG 4.37Å; R44-Y105 CarbonylContact O-C 3.59Å; R44-Y105 WeakPolarHBondContact O-CA 3.31Å; R44-Y105 WeakPolarHBondContact O-CB 3.44Å; L95-Y105 HydrophobicContact CD2-CD2 3.82Å; L95-Y105 HydrophobicContact CD2-CE1 4.3Å; L95-Y105 HydrophobicContact CD2-CE2 3.27Å; L98-Y105 HydrophobicContact CB-CD1 3.74Å; L98-Y105 HydrophobicContact CB-CE1 4.1Å; L98-Y105 HydrophobicContact CD1-CD1 3.94Å; L98-Y105 HydrophobicContact CD1-CG 3.96Å; L98-Y105 HydrophobicContact CG-CD1 4.44Å; Q99-Y105 HydrophobicContact CG-CE1 4.09Å; Q99-Y105 PolarHBondContact NE2-OH 2.66Å; Q99-Y105 VanDerWaalsContact NE2-OH 3.16Å; I103-Y105 PolarHBondContact O-N 2.87Å; Y105-I107 HydrophobicContact CD2-CG1 4.33Å; Y105-I107 HydrophobicContact CE2-CD1 4.49Å; Y105-I107 HydrophobicContact CE2-CG1 4.13Å
106	K	96.2	Very high	94.2	Very high	131 Å²	131	66.7 Å²	66.7	57%	0.57	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.6	129.3	172	-178.7	179.7	178.6	178.5	0	109.1	R44 L108	R44-K106 HydrophobicContact CB-CB 4.47Å; R44-K106 PolarHBondContact N-O 2.95Å; R44-K106 PolarHBondContact O-N 3.15Å; K106-L108 HydrophobicContact CD-CD2 3.94Å; K106-L108 HydrophobicContact CG-CD2 4.1Å; K106-L108 PolarHBondContact O-N 3.3Å
107	I	95.8	Very high	93.8	Very high	56 Å²	56	66.3 Å²	66.3	29%	0.287	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	115.7	169.1	-54.1	176.1	0	0	0	107.4	K41 I43 L95 Y105 I109 E110	K41-I107 HydrophobicContact CD-CG2 4.42Å; I43-I107 HydrophobicContact CG1-CG1 4.46Å; L95-I107 HydrophobicContact CD2-CD1 4.48Å; Y105-I107 HydrophobicContact CD2-CG1 4.33Å; Y105-I107 HydrophobicContact CE2-CD1 4.49Å; Y105-I107 HydrophobicContact CE2-CG1 4.13Å; I107-I109 WeakPolarHBondContact CG2-O 3.27Å; I107-E110 WeakPolarHBondContact CG2-OE2 3.45Å
108	L	95	Very high	93.2	Very high	23 Å²	23	71.6 Å²	71.6	12%	0.12	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-43	178.1	-56	-177	0	0	0	110.6	V42 R44 K106 G403	V42-L108 HydrophobicContact CB-CB 4.45Å; V42-L108 HydrophobicContact CG1-CB 4.33Å; V42-L108 HydrophobicContact CG1-CD1 4.16Å; V42-L108 PolarHBondContact O-N 3.09Å; R44-L108 HydrophobicContact CB-CD1 3.94Å; R44-L108 HydrophobicContact CB-CD2 3.94Å; R44-L108 HydrophobicContact CB-CG 3.9Å; K106-L108 HydrophobicContact CD-CD2 3.94Å; K106-L108 HydrophobicContact CG-CD2 4.1Å; K106-L108 PolarHBondContact O-N 3.3Å; L108-G403 WeakPolarHBondContact CD1-O 3.5Å
109	I	94.6	Very high	92.1	Very high	10 Å²	10	73.4 Å²	73.4	5%	0.051	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	118.1	179.8	-54.7	179.7	0	0	0	108.5	K41 V42 W68 I107 L112 T115 L408	K41-I109 WeakPolarHBondContact CA-O 3.39Å; V42-I109 HydrophobicContact CB-CB 3.94Å; V42-I109 HydrophobicContact CB-CD1 4.24Å; V42-I109 HydrophobicContact CB-CG1 4.1Å; V42-I109 HydrophobicContact CG2-CB 4.08Å; V42-I109 HydrophobicContact CG2-CD1 3.92Å; V42-I109 HydrophobicContact CG2-CG1 4.25Å; V42-I109 PolarHBondContact N-O 3.47Å; V42-I109 PolarHBondContact O-N 2.9Å; W68-I109 HydrophobicContact CH2-CD1 4.2Å; W68-I109 HydrophobicContact CZ3-CD1 4.29Å; I107-I109 WeakPolarHBondContact CG2-O 3.27Å; I109-L112 HydrophobicContact CD1-CD1 3.93Å; I109-L112 HydrophobicContact CG2-CB 4.44Å; I109-L112 HydrophobicContact CG2-CD1 4.01Å; I109-T115 WeakPolarHBondContact CG2-OG1 3.15Å; I109-L408 HydrophobicContact CD1-CD1 4.46Å
110	E	94.7	Very high	90.8	Very high	116 Å²	116	68 Å²	68	54%	0.542	33%	0.331	S	S	.	.	S	Bend	trans	-81.2	-32.9	-176.4	-177.6	60.9	-161	0	0	113	K41 I107	K41-E110 WeakPolarHBondContact CE-OE1 3.33Å; K41-E110 IonicContact NZ-OE1 3.31Å; K41-E110 PolarHBondContact NZ-OE1 3.08Å; K41-E110 IonicContact NZ-OE2 3.95Å; K41-E110 PolarHBondContact NZ-OE2 2.77Å; I107-E110 WeakPolarHBondContact CG2-OE2 3.45Å
111	D	94.1	Very high	88.9	Confident	27 Å²	27	65 Å²	65	14%	0.144	32%	0.321	C	S	.	.			trans	-147.1	104.5	177.7	-171.4	-32.9	0	0	0	109	G39 Q113 K114 T115	G39-D111 PolarHBondContact N-OD1 2.77Å; D111-Q113 PolarHBondContact OD1-N 3.32Å; D111-K114 HydrophobicContact CB-CB 4.12Å; D111-K114 HydrophobicContact CB-CD 4.05Å; D111-K114 HydrophobicContact CB-CG 4.23Å; D111-K114 PolarHBondContact O-N 2.77Å; D111-K114 PolarHBondContact OD1-N 2.96Å; D111-K114 VanDerWaalsContact OD1-N 3.14Å; D111-K114 VanDerWaalsContact OD2-CD 3.24Å; D111-K114 WeakPolarHBondContact OD2-CD 2.96Å; D111-K114 WeakPolarHBondContact OD2-CE 3.29Å; D111-K114 WeakPolarHBondContact OD2-CG 2.97Å; D111-K114 IonicContact OD2-NZ 3.69Å; D111-K114 PolarHBondContact OD2-NZ 3.12Å; D111-T115 PolarHBondContact O-N 3.46Å; D111-T115 VanDerWaalsContact O-N 3.16Å; D111-T115 PolarHBondContact O-OG1 3.19Å
112	L	93.1	Very high	87	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-67.5	-39.1	-173.3	-167.4	59.1	0	0	0	111.9	Y37 D40 V42 W68 H85 I109 T115 L116 F252 L408	Y37-L112 HydrophobicContact CD1-CD2 4.18Å; Y37-L112 HydrophobicContact CG-CD2 4.42Å; D40-L112 HydrophobicContact CB-CB 4.05Å; D40-L112 HydrophobicContact CB-CD2 4.31Å; D40-L112 WeakPolarHBondContact O-CB 3.31Å; D40-L112 PolarHBondContact O-N 3.04Å; V42-L112 HydrophobicContact CG2-CD1 4.25Å; W68-L112 HydrophobicContact CH2-CD1 4.21Å; W68-L112 HydrophobicContact CZ2-CD1 4.48Å; H85-L112 WeakPolarHBondContact NE2-CD2 3.37Å; I109-L112 HydrophobicContact CD1-CD1 3.93Å; I109-L112 HydrophobicContact CG2-CB 4.44Å; I109-L112 HydrophobicContact CG2-CD1 4.01Å; L112-T115 WeakPolarHBondContact O-CB 3.12Å; L112-T115 PolarHBondContact O-N 3.39Å; L112-L116 WeakPolarHBondContact O-CG 3.32Å; L112-L116 PolarHBondContact O-N 3.24Å; L112-F252 HydrophobicContact CD1-CE1 4.48Å; L112-F252 HydrophobicContact CD1-CE2 4.15Å; L112-F252 HydrophobicContact CD1-CZ 3.63Å; L112-F252 HydrophobicContact CD2-CD2 4.1Å; L112-F252 HydrophobicContact CD2-CE2 3.37Å; L112-F252 HydrophobicContact CD2-CZ 3.68Å; L112-F252 HydrophobicContact CG-CE2 3.72Å; L112-F252 HydrophobicContact CG-CZ 3.75Å; L112-L408 HydrophobicContact CD1-CD1 3.69Å
113	Q	93.6	Very high	85.1	Confident	3 Å²	3	63.6 Å²	63.6	1%	0.014	31%	0.305	C	S	.	.	H	α-helix	trans	-62.5	-47.9	176.5	-176.1	71	34.1	0	0	112.1	L32 N35 Y37 A38 D111 T115 L116 E117	L32-Q113 PolarHBondContact O-NE2 2.82Å; N35-Q113 VanDerWaalsContact OD1-CG 3.31Å; N35-Q113 WeakPolarHBondContact OD1-CG 3.33Å; Y37-Q113 WeakPolarHBondContact O-CB 3.3Å; Y37-Q113 PolarHBondContact O-N 3.15Å; A38-Q113 HydrophobicContact CB-CB 4.49Å; D111-Q113 PolarHBondContact OD1-N 3.32Å; Q113-T115 PolarHBondContact O-N 2.96Å; Q113-L116 WeakPolarHBondContact O-CB 3.35Å; Q113-L116 PolarHBondContact O-N 2.66Å; Q113-L116 VanDerWaalsContact O-N 3.11Å; Q113-E117 PolarHBondContact NE2-OE1 3.44Å; Q113-E117 WeakPolarHBondContact O-CG 3.35Å; Q113-E117 PolarHBondContact O-N 3.15Å
114	K	92.1	Very high	83	Confident	122 Å²	122	68.4 Å²	68.4	53%	0.53	34%	0.335	S	S	.	.	H	α-helix	trans	-60.8	-34.9	177.7	-72.9	-179.2	-173.4	130.6	0	111.9	D111 E117 K118	D111-K114 HydrophobicContact CB-CB 4.12Å; D111-K114 HydrophobicContact CB-CD 4.05Å; D111-K114 HydrophobicContact CB-CG 4.23Å; D111-K114 PolarHBondContact O-N 2.77Å; D111-K114 PolarHBondContact OD1-N 2.96Å; D111-K114 VanDerWaalsContact OD1-N 3.14Å; D111-K114 VanDerWaalsContact OD2-CD 3.24Å; D111-K114 WeakPolarHBondContact OD2-CD 2.96Å; D111-K114 WeakPolarHBondContact OD2-CE 3.29Å; D111-K114 WeakPolarHBondContact OD2-CG 2.97Å; D111-K114 IonicContact OD2-NZ 3.69Å; D111-K114 PolarHBondContact OD2-NZ 3.12Å; K114-E117 PolarHBondContact O-N 2.96Å; K114-K118 WeakPolarHBondContact O-CB 3.24Å; K114-K118 VanDerWaalsContact O-CG 3.28Å; K114-K118 WeakPolarHBondContact O-CG 3.44Å; K114-K118 PolarHBondContact O-N 3.46Å
115	T	91	Very high	80.9	Confident	49 Å²	49	68.6 Å²	68.6	30%	0.301	34%	0.343	S	S	.	.	H	α-helix	trans	-65.9	-41.1	177.1	-54.6	0	0	0	0	111.1	I109 D111 L112 Q113 G119 L408	I109-T115 WeakPolarHBondContact CG2-OG1 3.15Å; D111-T115 PolarHBondContact O-N 3.46Å; D111-T115 VanDerWaalsContact O-N 3.16Å; D111-T115 PolarHBondContact O-OG1 3.19Å; L112-T115 WeakPolarHBondContact O-CB 3.12Å; L112-T115 PolarHBondContact O-N 3.39Å; Q113-T115 PolarHBondContact O-N 2.96Å; T115-G119 PolarHBondContact O-N 3.27Å; T115-L408 HydrophobicContact CG2-CD1 3.79Å
116	L	90.3	Very high	79.1	Confident	15 Å²	15	67.5 Å²	67.5	8%	0.079	34%	0.339	C	S	.	.	H	α-helix	trans	-62.7	-46.7	174.2	-69.2	169.7	0	0	0	112.5	L32 Y33 Y37 L112 Q113 K118 G119 S120 R251 F252 L408	L32-L116 HydrophobicContact CD1-CB 4.38Å; Y33-L116 HydrophobicContact CD2-CD1 4.01Å; Y33-L116 HydrophobicContact CE2-CD1 4.21Å; Y33-L116 HydrophobicContact CE2-CD2 4.49Å; Y37-L116 HydrophobicContact CD2-CD1 3.4Å; Y37-L116 HydrophobicContact CE2-CD1 3.86Å; Y37-L116 HydrophobicContact CG-CD1 4.21Å; L112-L116 WeakPolarHBondContact O-CG 3.32Å; L112-L116 PolarHBondContact O-N 3.24Å; Q113-L116 WeakPolarHBondContact O-CB 3.35Å; Q113-L116 PolarHBondContact O-N 2.66Å; Q113-L116 VanDerWaalsContact O-N 3.11Å; L116-K118 PolarHBondContact O-N 3.45Å; L116-G119 PolarHBondContact O-N 2.93Å; L116-G119 VanDerWaalsContact O-N 3.12Å; L116-S120 PolarHBondContact O-N 2.68Å; L116-R251 HydrophobicContact CD2-CB 4.35Å; L116-R251 HydrophobicContact CD2-CG 3.71Å; L116-F252 HydrophobicContact CD1-CE2 4.17Å; L116-F252 HydrophobicContact CD2-CZ 4.34Å; L116-L408 HydrophobicContact CD2-CD1 3.98Å; L116-L408 HydrophobicContact CD2-CD2 3.47Å; L116-L408 VanDerWaalsContact CD2-CD2 3.47Å; L116-L408 HydrophobicContact CD2-CG 4.39Å; L116-L408 HydrophobicContact CG-CD1 4.32Å
117	E	87.3	Confident	76.9	Confident	45 Å²	45	68.4 Å²	68.4	21%	0.21	35%	0.35	C	S	.	.	H	α-helix	trans	-67	-36.2	-176.9	-70.3	175.3	169.8	0	0	112.5	H31 Q113 K114 G119 S120 N121	H31-E117 IonicContact CE1-OE1 2.9Å; H31-E117 IonicContact CG-OE1 2.67Å; H31-E117 IonicContact ND1-OE1 2.77Å; H31-E117 PolarHBondContact ND1-OE1 3.38Å; Q113-E117 PolarHBondContact NE2-OE1 3.44Å; Q113-E117 WeakPolarHBondContact O-CG 3.35Å; Q113-E117 PolarHBondContact O-N 3.15Å; K114-E117 PolarHBondContact O-N 2.96Å; E117-G119 VanDerWaalsContact C-N 3.27Å; E117-G119 PolarHBondContact O-N 3.07Å; E117-S120 WeakPolarHBondContact CA-OG 2.94Å; E117-S120 PolarHBondContact O-N 2.98Å; E117-S120 PolarHBondContact O-OG 2.95Å; E117-S120 VanDerWaalsContact O-OG 3.05Å; E117-N121 PolarHBondContact O-N 2.9Å; E117-N121 VanDerWaalsContact O-N 3.11Å
118	K	82.8	Confident	74.6	Confident	161 Å²	161	77.3 Å²	77.3	70%	0.7	38%	0.38	S	S	*	.	H	α-helix	trans	-58.8	-39.6	171	-76.6	175.9	-177.6	-176.6	0	111.9	K114 L116	K114-K118 WeakPolarHBondContact O-CB 3.24Å; K114-K118 VanDerWaalsContact O-CG 3.28Å; K114-K118 WeakPolarHBondContact O-CG 3.44Å; K114-K118 PolarHBondContact O-N 3.46Å; L116-K118 PolarHBondContact O-N 3.45Å
119	G	71.3	Confident	72.8	Confident	38 Å²	38	83.4 Å²	83.4	39%	0.392	40%	0.401	S	S	.	.	H	α-helix	trans	-70.8	-33.3	176.4	0	0	0	0	0	113.6	T115 L116 E117	T115-G119 PolarHBondContact O-N 3.27Å; L116-G119 PolarHBondContact O-N 2.93Å; L116-G119 VanDerWaalsContact O-N 3.12Å; E117-G119 VanDerWaalsContact C-N 3.27Å; E117-G119 PolarHBondContact O-N 3.07Å
120	S	67.1	Low	71.1	Confident	12 Å²	12	86.4 Å²	86.4	8%	0.084	42%	0.423	C	S	.	.	H	α-helix	trans	-85	-25.6	-173.9	69.1	0	0	0	0	115.4	L32 L116 E117 L122 Q123 T124	L32-S120 WeakPolarHBondContact CD1-OG 3.37Å; L116-S120 PolarHBondContact O-N 2.68Å; E117-S120 WeakPolarHBondContact CA-OG 2.94Å; E117-S120 PolarHBondContact O-N 2.98Å; E117-S120 PolarHBondContact O-OG 2.95Å; E117-S120 VanDerWaalsContact O-OG 3.05Å; S120-L122 PolarHBondContact O-N 3.3Å; S120-Q123 WeakPolarHBondContact O-CA 3.44Å; S120-Q123 WeakPolarHBondContact O-CB 3.44Å; S120-Q123 PolarHBondContact O-N 3.21Å; S120-T124 PolarHBondContact O-N 3.4Å; S120-T124 PolarHBondContact O-OG1 3.39Å
121	N	57.1	Low	69.6	Low	113 Å²	113	85 Å²	85	60%	0.604	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-21.2	173.5	-75	-15.5	0	0	0	112	E117	E117-N121 PolarHBondContact O-N 2.9Å; E117-N121 VanDerWaalsContact O-N 3.11Å
122	L	53	Low	68	Low	103 Å²	103	88.9 Å²	88.9	54%	0.539	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-28.2	171.2	-60.7	170.4	0	0	0	112.9	S120 R126	S120-L122 PolarHBondContact O-N 3.3Å; L122-R126 WeakPolarHBondContact O-CD 3.2Å; L122-R126 WeakPolarHBondContact O-CG 3.14Å; L122-R126 PolarHBondContact O-NE 3Å; L122-R126 PolarHBondContact O-NH2 3.43Å
123	Q	54.4	Low	67.1	Low	49 Å²	49	90.5 Å²	90.5	23%	0.229	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-38	-177.5	-77.6	177.4	-19.3	0	0	114	S120 Q125 R126	S120-Q123 WeakPolarHBondContact O-CA 3.44Å; S120-Q123 WeakPolarHBondContact O-CB 3.44Å; S120-Q123 PolarHBondContact O-N 3.21Å; Q123-Q125 PolarHBondContact O-N 3.4Å; Q123-R126 VanDerWaalsContact O-CB 3.28Å; Q123-R126 WeakPolarHBondContact O-CB 3.39Å; Q123-R126 WeakPolarHBondContact O-CG 3.49Å; Q123-R126 PolarHBondContact O-N 2.91Å
124	T	49.9	Very low	66.9	Low	106 Å²	106	92 Å²	92	65%	0.65	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-20	-176.6	24.6	0	0	0	0	114.4	S120 R126	S120-T124 PolarHBondContact O-N 3.4Å; S120-T124 PolarHBondContact O-OG1 3.39Å; T124-R126 VanDerWaalsContact C-N 3.28Å; T124-R126 PolarHBondContact O-N 3.09Å
125	Q	49.7	Very low	66.9	Low	182 Å²	182	88.2 Å²	88.2	85%	0.85	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	1.2	174	-66.3	-156.6	-4.2	0	0	114.4	Q123	Q123-Q125 PolarHBondContact O-N 3.4Å
126	R	58.6	Low	67.1	Low	56 Å²	56	87.5 Å²	87.5	21%	0.211	45%	0.448	C	S	.	.			trans	-105.2	-3.2	-163.1	-57.3	-178.2	-178	159.5	-4.2	116.3	L122 Q123 T124 R128 V138 E411	L122-R126 WeakPolarHBondContact O-CD 3.2Å; L122-R126 WeakPolarHBondContact O-CG 3.14Å; L122-R126 PolarHBondContact O-NE 3Å; L122-R126 PolarHBondContact O-NH2 3.43Å; Q123-R126 VanDerWaalsContact O-CB 3.28Å; Q123-R126 WeakPolarHBondContact O-CB 3.39Å; Q123-R126 WeakPolarHBondContact O-CG 3.49Å; Q123-R126 PolarHBondContact O-N 2.91Å; T124-R126 VanDerWaalsContact C-N 3.28Å; T124-R126 PolarHBondContact O-N 3.09Å; R126-R128 PolarHBondContact O-N 3.12Å; R126-V138 VanDerWaalsContact CZ-CG1 3.45Å; R126-V138 VanDerWaalsContact NH1-CG1 3.27Å; R126-E411 IonicContact CZ-OE1 2.8Å; R126-E411 IonicContact CZ-OE2 3.32Å; R126-E411 IonicContact NH1-OE1 3.13Å; R126-E411 PolarHBondContact NH1-OE1 3.16Å; R126-E411 IonicContact NH1-OE2 3.68Å; R126-E411 PolarHBondContact NH1-OE2 3.42Å; R126-E411 IonicContact NH2-OE2 3.99Å; R126-E411 PolarHBondContact NH2-OE2 3.5Å
127	N	49.3	Very low	67.3	Low	150 Å²	150	90.3 Å²	90.3	80%	0.802	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	19.8	-173.2	-81.7	-13.4	0	0	0	116.6
128	R	47.9	Very low	67.5	Low	244 Å²	244	88.7 Å²	88.7	92%	0.921	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.5	37.7	-177.4	-70.7	-171.7	176.9	175.2	-0.6	114.4	R126	R126-R128 PolarHBondContact O-N 3.12Å
129	R	56.5	Low	68.2	Low	151 Å²	151	81.9 Å²	81.9	57%	0.57	42%	0.424	S	S	*	.			trans	-103.4	127.9	173.4	-63.8	-173.4	-175.6	-175.7	2.2	110.6	N135	R129-N135 PolarHBondContact NH1-ND2 2.88Å; R129-N135 VanDerWaalsContact NH1-ND2 3.13Å
130	S	60.5	Low	69.3	Low	73 Å²	73	80.7 Å²	80.7	51%	0.51	41%	0.408	S	S	.	.			trans	-62.4	158.4	171.4	56.4	0	0	0	0	110.4	S132 G133	S130-S132 PolarHBondContact O-N 3.06Å; S130-S132 VanDerWaalsContact O-N 3.12Å; S130-S132 PolarHBondContact OG-OG 3.43Å; S130-G133 CarbonylContact O-C 3.53Å; S130-G133 WeakPolarHBondContact O-CA 3.35Å; S130-G133 PolarHBondContact O-N 2.93Å
131	L	61.4	Low	70.7	Confident	86 Å²	86	81.5 Å²	81.5	45%	0.45	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-59.4	-22.5	174	-71.6	167.1	0	0	0	113	G133 N147 H151	L131-G133 VanDerWaalsContact C-N 3.27Å; L131-N147 HydrophobicContact CD2-CB 4.18Å; L131-H151 HydrophobicContact CD1-CB 4.34Å
132	S	62	Low	72.7	Confident	109 Å²	109	76.4 Å²	76.4	76%	0.762	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-70.6	-20.3	170.5	54.7	0	0	0	0	113.7	S130	S130-S132 PolarHBondContact O-N 3.06Å; S130-S132 VanDerWaalsContact O-N 3.12Å; S130-S132 PolarHBondContact OG-OG 3.43Å
133	G	73.1	Confident	74.7	Confident	34 Å²	34	78 Å²	78	35%	0.351	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-105.1	27.8	177.4	0	0	0	0	0	114.1	S130 L131 N135	S130-G133 CarbonylContact O-C 3.53Å; S130-G133 WeakPolarHBondContact O-CA 3.35Å; S130-G133 PolarHBondContact O-N 2.93Å; L131-G133 VanDerWaalsContact C-N 3.27Å; G133-N135 PolarHBondContact O-N 3.08Å
134	Y	89	Confident	76.7	Confident	34 Å²	34	79.4 Å²	79.4	13%	0.133	40%	0.398	C	S	.	.			trans	-56.6	124.6	177.2	-164.3	-93.7	0	0	0	111.2	Y136 H140 W148 Q207	Y134-Y136 HydrophobicContact CD1-CD1 4.03Å; Y134-Y136 HydrophobicContact CD1-CD2 4.15Å; Y134-Y136 AromaticContact CD1-CE1 3.76Å; Y134-Y136 HydrophobicContact CD1-CE1 3.76Å; Y134-Y136 AromaticContact CD1-CE2 3.9Å; Y134-Y136 HydrophobicContact CD1-CE2 3.9Å; Y134-Y136 HydrophobicContact CD1-CG 4.22Å; Y134-Y136 AromaticContact CD1-CZ 3.72Å; Y134-Y136 HydrophobicContact CE1-CD1 4Å; Y134-Y136 AromaticContact CE1-CE1 3.87Å; Y134-Y136 HydrophobicContact CE1-CE1 3.87Å; Y134-H140 AromaticContact CE1-CD2 3.72Å; Y134-H140 AromaticContact CE1-NE2 3.6Å; Y134-H140 AromaticContact CE2-CE1 3.96Å; Y134-H140 AromaticContact CE2-NE2 3.88Å; Y134-H140 AromaticContact CZ-CD2 3.38Å; Y134-H140 AromaticContact CZ-CE1 3.99Å; Y134-H140 AromaticContact CZ-CG 3.83Å; Y134-H140 AromaticContact CZ-NE2 3.48Å; Y134-H140 PolarHBondContact OH-CD2 3.21Å; Y134-W148 AromaticContact CD1-CD1 3.64Å; Y134-W148 HydrophobicContact CD1-CG 4.33Å; Y134-W148 HydrophobicContact CD2-CB 3.95Å; Y134-W148 AromaticContact CD2-CD1 3.92Å; Y134-W148 HydrophobicContact CD2-CG 4.22Å; Y134-W148 HydrophobicContact CE1-CB 4.46Å; Y134-W148 AromaticContact CE1-CD1 3.69Å; Y134-W148 HydrophobicContact CE1-CD2 4.48Å; Y134-W148 AromaticContact CE1-CG 3.99Å; Y134-W148 HydrophobicContact CE1-CG 3.99Å; Y134-W148 HydrophobicContact CE2-CB 3.48Å; Y134-W148 VanDerWaalsContact CE2-CB 3.48Å; Y134-W148 AromaticContact CE2-CD1 3.99Å; Y134-W148 AromaticContact CE2-CG 3.88Å; Y134-W148 HydrophobicContact CE2-CG 3.88Å; Y134-W148 AromaticContact CG-CD1 3.73Å; Y134-W148 HydrophobicContact CG-CG 4.42Å; Y134-W148 AromaticContact CZ-CD1 3.85Å; Y134-W148 AromaticContact CZ-CG 3.73Å; Y134-Q207 PolarHBondContact OH-OE1 2.88Å
135	N	91.8	Very high	79	Confident	42 Å²	42	74.3 Å²	74.3	23%	0.225	37%	0.367	C	S	.	.			trans	-104.6	102.7	-172.4	-176.4	10	0	0	0	112	R129 G133 E137 V138 H140	R129-N135 PolarHBondContact NH1-ND2 2.88Å; R129-N135 VanDerWaalsContact NH1-ND2 3.13Å; G133-N135 PolarHBondContact O-N 3.08Å; N135-E137 PolarHBondContact O-N 2.96Å; N135-E137 WeakPolarHBondContact OD1-CB 3.23Å; N135-E137 PolarHBondContact OD1-N 3.42Å; N135-E137 VanDerWaalsContact OD1-N 3.08Å; N135-V138 HydrophobicContact CB-CG2 4.06Å; N135-V138 WeakPolarHBondContact ND2-CG1 3.46Å; N135-V138 WeakPolarHBondContact O-CG2 3.44Å; N135-V138 PolarHBondContact O-N 3.31Å; N135-H140 PolarHBondContact O-NE2 3.18Å
136	Y	95.5	Very high	81.3	Confident	34 Å²	34	67.6 Å²	67.6	13%	0.133	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	1.9	179.8	-61.3	-89.1	0	0	0	115.1	Y134 W148 Q207 K211 I414	Y134-Y136 HydrophobicContact CD1-CD1 4.03Å; Y134-Y136 HydrophobicContact CD1-CD2 4.15Å; Y134-Y136 AromaticContact CD1-CE1 3.76Å; Y134-Y136 HydrophobicContact CD1-CE1 3.76Å; Y134-Y136 AromaticContact CD1-CE2 3.9Å; Y134-Y136 HydrophobicContact CD1-CE2 3.9Å; Y134-Y136 HydrophobicContact CD1-CG 4.22Å; Y134-Y136 AromaticContact CD1-CZ 3.72Å; Y134-Y136 HydrophobicContact CE1-CD1 4Å; Y134-Y136 AromaticContact CE1-CE1 3.87Å; Y134-Y136 HydrophobicContact CE1-CE1 3.87Å; Y136-W148 HydrophobicContact CE1-CZ2 4.11Å; Y136-W148 AromaticContact CE1-NE1 3.57Å; Y136-W148 AromaticContact CZ-NE1 3.54Å; Y136-W148 PolarHBondContact OH-NE1 2.91Å; Y136-Q207 HydrophobicContact CD1-CB 4.11Å; Y136-Q207 HydrophobicContact CE1-CB 4.25Å; Y136-K211 HydrophobicContact CD1-CB 3.87Å; Y136-K211 HydrophobicContact CD1-CD 4.13Å; Y136-K211 HydrophobicContact CD1-CG 4.28Å; Y136-K211 HydrophobicContact CD2-CB 4.23Å; Y136-K211 HydrophobicContact CD2-CD 3.48Å; Y136-K211 VanDerWaalsContact CD2-CD 3.48Å; Y136-K211 HydrophobicContact CD2-CG 3.74Å; Y136-K211 HydrophobicContact CE1-CB 3.6Å; Y136-K211 HydrophobicContact CE1-CG 4.17Å; Y136-K211 HydrophobicContact CE2-CB 3.98Å; Y136-K211 HydrophobicContact CE2-CD 3.92Å; Y136-K211 HydrophobicContact CE2-CG 3.6Å; Y136-K211 HydrophobicContact CG-CB 4.17Å; Y136-K211 HydrophobicContact CG-CD 3.58Å; Y136-K211 HydrophobicContact CG-CG 4.06Å; Y136-I414 WeakPolarHBondContact O-CG2 3.09Å
137	E	94.5	Very high	83.1	Confident	74 Å²	74	68.4 Å²	68.4	35%	0.346	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	16.8	-179.7	-57.6	-174.1	-158.3	0	0	112.3	N135 W208 K415	N135-E137 PolarHBondContact O-N 2.96Å; N135-E137 WeakPolarHBondContact OD1-CB 3.23Å; N135-E137 PolarHBondContact OD1-N 3.42Å; N135-E137 VanDerWaalsContact OD1-N 3.08Å; E137-W208 HydrophobicContact CG-CH2 4.4Å; E137-W208 HydrophobicContact CG-CZ3 3.88Å; E137-K415 HydrophobicContact CG-CB 4.13Å; E137-K415 WeakPolarHBondContact OE1-CD 3.39Å; E137-K415 IonicContact OE1-NZ 2.74Å
138	V	93.1	Very high	85.4	Confident	11 Å²	11	61.4 Å²	61.4	7%	0.067	31%	0.306	C	S	.	.	S	Bend	trans	-134.4	162.9	174.2	-60.4	0	0	0	0	110.9	R126 N135 E411	R126-V138 VanDerWaalsContact CZ-CG1 3.45Å; R126-V138 VanDerWaalsContact NH1-CG1 3.27Å; N135-V138 HydrophobicContact CB-CG2 4.06Å; N135-V138 WeakPolarHBondContact ND2-CG1 3.46Å; N135-V138 WeakPolarHBondContact O-CG2 3.44Å; N135-V138 PolarHBondContact O-N 3.31Å; V138-E411 WeakPolarHBondContact CB-OE1 3.42Å
139	Y	95.8	Very high	87.7	Confident	19 Å²	19	50.1 Å²	50.1	8%	0.075	26%	0.264	C	S	.	.			trans	-80.6	143.3	171.5	-63.6	-62	0	0	0	110.8	W200 A204 W247 L409 E411 I414	Y139-W200 HydrophobicContact CD1-CB 3.68Å; Y139-W200 HydrophobicContact CD1-CE3 4.45Å; Y139-W200 AromaticContact CD2-CE3 3.91Å; Y139-W200 HydrophobicContact CD2-CE3 3.91Å; Y139-W200 HydrophobicContact CE1-CB 3.69Å; Y139-W200 HydrophobicContact CG-CB 4.24Å; Y139-W200 AromaticContact CG-CE3 3.85Å; Y139-W200 HydrophobicContact CG-CE3 3.85Å; Y139-A204 HydrophobicContact CD1-CB 4.21Å; Y139-A204 HydrophobicContact CE1-CB 4.16Å; Y139-W247 WeakPolarHBondContact O-CH2 3.26Å; Y139-L409 VanDerWaalsContact CE2-O 3.24Å; Y139-L409 WeakPolarHBondContact CE2-O 3.38Å; Y139-L409 PolarHBondContact OH-O 2.8Å; Y139-E411 HydrophobicContact CD2-CG 3.64Å; Y139-E411 HydrophobicContact CE2-CG 3.92Å; Y139-E411 HydrophobicContact CG-CG 4.48Å; Y139-E411 PolarHBondContact N-OE1 3.04Å; Y139-I414 HydrophobicContact CD1-CD1 3.89Å; Y139-I414 HydrophobicContact CD2-CD1 4.25Å; Y139-I414 HydrophobicContact CE1-CD1 3.74Å; Y139-I414 HydrophobicContact CE1-CG1 3.99Å; Y139-I414 HydrophobicContact CE2-CD1 4.13Å; Y139-I414 HydrophobicContact CG-CD1 4.13Å
140	H	95.4	Very high	89.7	Confident	12 Å²	12	47.2 Å²	47.2	6%	0.056	26%	0.257	C	S	.	.			trans	-122.5	139.8	-177	-73.6	-67.7	0	0	0	111.7	Y134 N135 E144 I145 Y243 W247	Y134-H140 AromaticContact CE1-CD2 3.72Å; Y134-H140 AromaticContact CE1-NE2 3.6Å; Y134-H140 AromaticContact CE2-CE1 3.96Å; Y134-H140 AromaticContact CE2-NE2 3.88Å; Y134-H140 AromaticContact CZ-CD2 3.38Å; Y134-H140 AromaticContact CZ-CE1 3.99Å; Y134-H140 AromaticContact CZ-CG 3.83Å; Y134-H140 AromaticContact CZ-NE2 3.48Å; Y134-H140 PolarHBondContact OH-CD2 3.21Å; N135-H140 PolarHBondContact O-NE2 3.18Å; H140-E144 HydrophobicContact CB-CB 3.97Å; H140-E144 IonicContact ND1-OE1 2.61Å; H140-E144 PolarHBondContact ND1-OE1 2.92Å; H140-E144 IonicContact ND1-OE2 3.3Å; H140-I145 HydrophobicContact CB-CD1 4.35Å; H140-I145 HydrophobicContact CB-CG1 3.77Å; H140-Y243 WeakPolarHBondContact O-CE1 3.42Å; H140-Y243 PolarHBondContact O-OH 2.66Å; H140-W247 WeakPolarHBondContact O-CZ2 3.5Å
141	S	96.8	Very high	91.4	Very high	29 Å²	29	46.5 Å²	46.5	20%	0.203	25%	0.245	C	C	.	.			trans	-61.1	163	171.2	66.3	0	0	0	0	111.6	E143 E144 I145	S141-E143 PolarHBondContact O-N 3.07Å; S141-E144 WeakPolarHBondContact CB-OE2 3.39Å; S141-E144 PolarHBondContact N-OE2 2.96Å; S141-E144 PolarHBondContact O-N 2.94Å; S141-E144 WeakPolarHBondContact OG-CG 3.4Å; S141-E144 PolarHBondContact OG-N 3.35Å; S141-E144 PolarHBondContact OG-OE2 2.82Å; S141-I145 WeakPolarHBondContact O-CG1 3.47Å; S141-I145 PolarHBondContact O-N 3.36Å; S141-I145 VanDerWaalsContact O-N 3.08Å
142	L	98	Very high	93	Very high	7 Å²	7	42.7 Å²	42.7	4%	0.037	23%	0.225	C	C	.	.	H	α-helix	trans	-55.1	-40.2	176.9	-178.9	64.3	0	0	0	112.3	I145 Q146 V237 V240 Y243 H244	L142-I145 PolarHBondContact O-N 2.82Å; L142-Q146 HydrophobicContact CD1-CG 4.33Å; L142-Q146 HydrophobicContact CG-CG 4.48Å; L142-Q146 WeakPolarHBondContact O-CB 3.41Å; L142-Q146 WeakPolarHBondContact O-CG 3.43Å; L142-Q146 PolarHBondContact O-N 3.47Å; L142-V237 HydrophobicContact CD1-CB 4.24Å; L142-V237 HydrophobicContact CD1-CG1 4.19Å; L142-V237 HydrophobicContact CD1-CG2 4.26Å; L142-V240 HydrophobicContact CD1-CB 4.11Å; L142-V240 HydrophobicContact CD1-CG1 4Å; L142-V240 HydrophobicContact CD2-CB 4Å; L142-Y243 HydrophobicContact CB-CD1 4.12Å; L142-Y243 HydrophobicContact CD1-CD1 4.49Å; L142-H244 HydrophobicContact CB-CB 4.5Å; L142-H244 HydrophobicContact CD2-CB 4.09Å
143	E	96.2	Very high	94.7	Very high	135 Å²	135	39.6 Å²	39.6	63%	0.631	20%	0.2	S	C	*	.	H	α-helix	trans	-66.3	-44.8	-178.2	-176.3	176.8	175	0	0	111.5	S141 I145 Q146 N147	S141-E143 PolarHBondContact O-N 3.07Å; E143-I145 VanDerWaalsContact C-N 3.35Å; E143-I145 PolarHBondContact O-N 3.18Å; E143-Q146 PolarHBondContact O-N 3.11Å; E143-N147 WeakPolarHBondContact O-CB 3.47Å; E143-N147 VanDerWaalsContact O-CG 3.26Å; E143-N147 PolarHBondContact O-N 2.86Å; E143-N147 PolarHBondContact O-ND2 3.37Å
144	E	95.6	Very high	95.7	Very high	79 Å²	79	46.2 Å²	46.2	37%	0.369	22%	0.219	S	C	.	.	H	α-helix	trans	-60.6	-43.8	175.5	-71.5	168.4	111	0	0	111.8	H140 S141 Q146 N147 W148	H140-E144 HydrophobicContact CB-CB 3.97Å; H140-E144 IonicContact ND1-OE1 2.61Å; H140-E144 PolarHBondContact ND1-OE1 2.92Å; H140-E144 IonicContact ND1-OE2 3.3Å; S141-E144 WeakPolarHBondContact CB-OE2 3.39Å; S141-E144 PolarHBondContact N-OE2 2.96Å; S141-E144 PolarHBondContact O-N 2.94Å; S141-E144 WeakPolarHBondContact OG-CG 3.4Å; S141-E144 PolarHBondContact OG-N 3.35Å; S141-E144 PolarHBondContact OG-OE2 2.82Å; E144-Q146 PolarHBondContact O-N 2.87Å; E144-N147 PolarHBondContact O-N 3.46Å; E144-W148 VanDerWaalsContact O-CB 3.3Å; E144-W148 WeakPolarHBondContact O-CB 3.41Å; E144-W148 PolarHBondContact O-N 2.88Å
145	I	98.3	Very high	96	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.5	-42.5	177	-62.2	172.1	0	0	0	110.3	H140 S141 L142 E143 W148 M149 P203 P236 V237 Y243	H140-I145 HydrophobicContact CB-CD1 4.35Å; H140-I145 HydrophobicContact CB-CG1 3.77Å; S141-I145 WeakPolarHBondContact O-CG1 3.47Å; S141-I145 PolarHBondContact O-N 3.36Å; S141-I145 VanDerWaalsContact O-N 3.08Å; L142-I145 PolarHBondContact O-N 2.82Å; E143-I145 VanDerWaalsContact C-N 3.35Å; E143-I145 PolarHBondContact O-N 3.18Å; I145-W148 HydrophobicContact CG2-CE3 4.14Å; I145-W148 HydrophobicContact CG2-CZ3 4.47Å; I145-W148 WeakPolarHBondContact O-CB 3.07Å; I145-W148 PolarHBondContact O-N 2.92Å; I145-M149 HydrophobicContact CG2-CE 4.28Å; I145-M149 WeakPolarHBondContact O-CG 3.5Å; I145-M149 PolarHBondContact O-N 3.09Å; I145-P203 HydrophobicContact CD1-CB 4.42Å; I145-P236 HydrophobicContact CG2-CB 4.1Å; I145-V237 HydrophobicContact CD1-CG2 3.85Å; I145-V237 HydrophobicContact CG2-CG2 4.39Å; I145-Y243 HydrophobicContact CD1-CE1 3.82Å
146	Q	97.6	Very high	96.1	Very high	40 Å²	40	49.6 Å²	49.6	19%	0.187	24%	0.239	C	C	.	.	H	α-helix	trans	-66.2	-43.5	178	-73.6	-179.1	-12	0	0	112.3	L142 E143 E144 W148 M149 H150 F175	L142-Q146 HydrophobicContact CD1-CG 4.33Å; L142-Q146 HydrophobicContact CG-CG 4.48Å; L142-Q146 WeakPolarHBondContact O-CB 3.41Å; L142-Q146 WeakPolarHBondContact O-CG 3.43Å; L142-Q146 PolarHBondContact O-N 3.47Å; E143-Q146 PolarHBondContact O-N 3.11Å; E144-Q146 PolarHBondContact O-N 2.87Å; Q146-W148 VanDerWaalsContact C-N 3.29Å; Q146-W148 PolarHBondContact O-N 2.92Å; Q146-M149 HydrophobicContact CB-CE 4.21Å; Q146-M149 HydrophobicContact CG-CE 3.66Å; Q146-M149 PolarHBondContact O-N 2.93Å; Q146-M149 VanDerWaalsContact O-N 3.17Å; Q146-H150 PolarHBondContact O-CD2 3.23Å; Q146-H150 PolarHBondContact O-N 3.19Å; Q146-F175 HydrophobicContact CG-CD2 4.25Å
147	N	96.5	Very high	96	Very high	73 Å²	73	51.5 Å²	51.5	39%	0.39	26%	0.258	S	S	.	.	H	α-helix	trans	-60.6	-39.9	174.8	-72.4	-24.5	0	0	0	111.6	L131 E143 E144 H150 H151	L131-N147 HydrophobicContact CD2-CB 4.18Å; E143-N147 WeakPolarHBondContact O-CB 3.47Å; E143-N147 VanDerWaalsContact O-CG 3.26Å; E143-N147 PolarHBondContact O-N 2.86Å; E143-N147 PolarHBondContact O-ND2 3.37Å; E144-N147 PolarHBondContact O-N 3.46Å; N147-H150 PolarHBondContact O-N 3.43Å; N147-H151 WeakPolarHBondContact O-CB 3.33Å; N147-H151 PolarHBondContact O-N 2.71Å
148	W	97.1	Very high	95.9	Very high	3 Å²	3	50.5 Å²	50.5	1%	0.011	27%	0.268	C	S	.	.	H	α-helix	trans	-60.8	-46.8	172	165.1	82.9	0	0	0	112.6	Y134 Y136 E144 I145 Q146 H150 H151 L152 L177 Q207 V210 P236	Y134-W148 AromaticContact CD1-CD1 3.64Å; Y134-W148 HydrophobicContact CD1-CG 4.33Å; Y134-W148 HydrophobicContact CD2-CB 3.95Å; Y134-W148 AromaticContact CD2-CD1 3.92Å; Y134-W148 HydrophobicContact CD2-CG 4.22Å; Y134-W148 HydrophobicContact CE1-CB 4.46Å; Y134-W148 AromaticContact CE1-CD1 3.69Å; Y134-W148 HydrophobicContact CE1-CD2 4.48Å; Y134-W148 AromaticContact CE1-CG 3.99Å; Y134-W148 HydrophobicContact CE1-CG 3.99Å; Y134-W148 HydrophobicContact CE2-CB 3.48Å; Y134-W148 VanDerWaalsContact CE2-CB 3.48Å; Y134-W148 AromaticContact CE2-CD1 3.99Å; Y134-W148 AromaticContact CE2-CG 3.88Å; Y134-W148 HydrophobicContact CE2-CG 3.88Å; Y134-W148 AromaticContact CG-CD1 3.73Å; Y134-W148 HydrophobicContact CG-CG 4.42Å; Y134-W148 AromaticContact CZ-CD1 3.85Å; Y134-W148 AromaticContact CZ-CG 3.73Å; Y136-W148 HydrophobicContact CE1-CZ2 4.11Å; Y136-W148 AromaticContact CE1-NE1 3.57Å; Y136-W148 AromaticContact CZ-NE1 3.54Å; Y136-W148 PolarHBondContact OH-NE1 2.91Å; E144-W148 VanDerWaalsContact O-CB 3.3Å; E144-W148 WeakPolarHBondContact O-CB 3.41Å; E144-W148 PolarHBondContact O-N 2.88Å; I145-W148 HydrophobicContact CG2-CE3 4.14Å; I145-W148 HydrophobicContact CG2-CZ3 4.47Å; I145-W148 WeakPolarHBondContact O-CB 3.07Å; I145-W148 PolarHBondContact O-N 2.92Å; Q146-W148 VanDerWaalsContact C-N 3.29Å; Q146-W148 PolarHBondContact O-N 2.92Å; W148-H150 PolarHBondContact O-N 2.89Å; W148-H151 WeakPolarHBondContact O-CB 3.33Å; W148-H151 PolarHBondContact O-N 3.38Å; W148-L152 HydrophobicContact CD2-CD1 4.12Å; W148-L152 HydrophobicContact CH2-CD1 4.1Å; W148-L152 HydrophobicContact CZ2-CD1 3.32Å; W148-L152 WeakPolarHBondContact O-CG 3.44Å; W148-L152 PolarHBondContact O-N 2.82Å; W148-L177 HydrophobicContact CH2-CD1 3.83Å; W148-L177 HydrophobicContact CZ3-CD1 3.93Å; W148-Q207 HydrophobicContact CE3-CG 4.15Å; W148-Q207 HydrophobicContact CH2-CB 4.09Å; W148-Q207 HydrophobicContact CH2-CG 3.94Å; W148-Q207 HydrophobicContact CZ2-CB 4.18Å; W148-Q207 HydrophobicContact CZ2-CG 4.36Å; W148-Q207 HydrophobicContact CZ3-CB 4.47Å; W148-Q207 HydrophobicContact CZ3-CG 3.82Å; W148-V210 HydrophobicContact CH2-CB 3.82Å; W148-V210 HydrophobicContact CH2-CG1 3.99Å; W148-V210 HydrophobicContact CH2-CG2 3.95Å; W148-V210 HydrophobicContact CZ2-CB 3.81Å; W148-V210 HydrophobicContact CZ2-CG1 3.77Å; W148-V210 HydrophobicContact CZ2-CG2 4.44Å; W148-P236 HydrophobicContact CZ3-CG 4.06Å
149	M	98	Very high	95.9	Very high	8 Å²	8	51 Å²	51	4%	0.039	27%	0.27	C	S	.	.	H	α-helix	trans	-60.6	-44.7	177	-70.1	-171.3	-71.8	0	0	111.9	I145 Q146 L152 N153 M162 F175 L177 P236	I145-M149 HydrophobicContact CG2-CE 4.28Å; I145-M149 WeakPolarHBondContact O-CG 3.5Å; I145-M149 PolarHBondContact O-N 3.09Å; Q146-M149 HydrophobicContact CB-CE 4.21Å; Q146-M149 HydrophobicContact CG-CE 3.66Å; Q146-M149 PolarHBondContact O-N 2.93Å; Q146-M149 VanDerWaalsContact O-N 3.17Å; M149-L152 PolarHBondContact O-N 2.84Å; M149-N153 WeakPolarHBondContact O-CB 3.32Å; M149-N153 PolarHBondContact O-N 2.91Å; M149-M162 HydrophobicContact CB-CG 4.42Å; M149-M162 HydrophobicContact CB-SD 3.51Å; M149-M162 VanDerWaalsContact CB-SD 3.51Å; M149-F175 HydrophobicContact CE-CB 3.85Å; M149-F175 HydrophobicContact CE-CD2 4.26Å; M149-F175 HydrophobicContact CE-CG 4.46Å; M149-F175 HydrophobicContact SD-CB 4.13Å; M149-L177 HydrophobicContact CB-CD2 4.09Å; M149-L177 HydrophobicContact CG-CD1 4.12Å; M149-L177 HydrophobicContact CG-CD2 4.17Å; M149-L177 HydrophobicContact CG-CG 4.24Å; M149-L177 HydrophobicContact SD-CG 4.3Å; M149-P236 HydrophobicContact SD-CG 3.83Å
150	H	97.2	Very high	95.9	Very high	89 Å²	89	50.2 Å²	50.2	41%	0.412	27%	0.267	S	S	.	.	H	α-helix	trans	-61.2	-43.6	175.8	-81.9	-74.1	0	0	0	111.8	Q146 N147 W148 N153 K154 M162 F175	Q146-H150 PolarHBondContact O-CD2 3.23Å; Q146-H150 PolarHBondContact O-N 3.19Å; N147-H150 PolarHBondContact O-N 3.43Å; W148-H150 PolarHBondContact O-N 2.89Å; H150-N153 PolarHBondContact O-N 2.61Å; H150-K154 PolarHBondContact O-N 3.5Å; H150-K154 VanDerWaalsContact O-N 3.14Å; H150-M162 WeakPolarHBondContact CE1-CE 3.23Å; H150-M162 VanDerWaalsContact ND1-CE 3.32Å; H150-M162 WeakPolarHBondContact ND1-CE 3.29Å; H150-F175 AromaticContact NE2-CZ 3.97Å
151	H	95.9	Very high	96	Very high	58 Å²	58	54.6 Å²	54.6	27%	0.269	29%	0.287	S	S	.	.	H	α-helix	trans	-59.6	-50.2	176.3	179.5	79.2	0	0	0	111.4	L131 N147 W148 N153 K154 T155	L131-H151 HydrophobicContact CD1-CB 4.34Å; N147-H151 WeakPolarHBondContact O-CB 3.33Å; N147-H151 PolarHBondContact O-N 2.71Å; W148-H151 WeakPolarHBondContact O-CB 3.33Å; W148-H151 PolarHBondContact O-N 3.38Å; H151-N153 VanDerWaalsContact C-N 3.35Å; H151-N153 PolarHBondContact O-N 2.95Å; H151-K154 PolarHBondContact O-N 3.06Å; H151-K154 VanDerWaalsContact O-N 3.12Å; H151-T155 PolarHBondContact O-N 3.4Å; H151-T155 PolarHBondContact O-OG1 2.84Å
152	L	95.9	Very high	96.1	Very high	7 Å²	7	54 Å²	54	4%	0.037	28%	0.281	C	S	.	.	H	α-helix	trans	-62.3	-39.3	179	-70	-170.6	0	0	0	113	W148 M149 K154 T155 H156 I160 V210 L214	W148-L152 HydrophobicContact CD2-CD1 4.12Å; W148-L152 HydrophobicContact CH2-CD1 4.1Å; W148-L152 HydrophobicContact CZ2-CD1 3.32Å; W148-L152 WeakPolarHBondContact O-CG 3.44Å; W148-L152 PolarHBondContact O-N 2.82Å; M149-L152 PolarHBondContact O-N 2.84Å; L152-K154 VanDerWaalsContact C-N 3.25Å; L152-K154 PolarHBondContact O-N 2.89Å; L152-T155 PolarHBondContact O-N 2.84Å; L152-H156 WeakPolarHBondContact O-CA 3.31Å; L152-H156 WeakPolarHBondContact O-CB 3.44Å; L152-H156 PolarHBondContact O-N 2.79Å; L152-I160 HydrophobicContact CB-CD1 4.08Å; L152-I160 HydrophobicContact CD1-CD1 4.08Å; L152-V210 HydrophobicContact CD1-CG1 3.54Å; L152-L214 HydrophobicContact CD1-CD1 3.99Å; L152-L214 HydrophobicContact CD2-CD1 3.76Å; L152-L214 HydrophobicContact CG-CD1 4.48Å
153	N	96.5	Very high	96.1	Very high	43 Å²	43	56.5 Å²	56.5	23%	0.23	29%	0.292	C	S	.	.	H	α-helix	trans	-61.2	-35.7	175.2	-178	68.8	0	0	0	112.2	M149 H150 H151 H161 M162	M149-N153 WeakPolarHBondContact O-CB 3.32Å; M149-N153 PolarHBondContact O-N 2.91Å; H150-N153 PolarHBondContact O-N 2.61Å; H151-N153 VanDerWaalsContact C-N 3.35Å; H151-N153 PolarHBondContact O-N 2.95Å; N153-H161 WeakPolarHBondContact OD1-CA 3.36Å; N153-M162 HydrophobicContact CB-CB 3.73Å; N153-M162 PolarHBondContact OD1-N 3.11Å
154	K	95.8	Very high	96.2	Very high	174 Å²	174	52.4 Å²	52.4	76%	0.757	28%	0.279	S	S	*	.	H	α-helix	trans	-75.5	-45.8	177.4	-173	178.1	179.3	-179.9	0	112.1	H150 H151 L152	H150-K154 PolarHBondContact O-N 3.5Å; H150-K154 VanDerWaalsContact O-N 3.14Å; H151-K154 PolarHBondContact O-N 3.06Å; H151-K154 VanDerWaalsContact O-N 3.12Å; L152-K154 VanDerWaalsContact C-N 3.25Å; L152-K154 PolarHBondContact O-N 2.89Å
155	T	94.8	Very high	96.4	Very high	70 Å²	70	50.2 Å²	50.2	43%	0.429	27%	0.269	S	S	.	.	H	α-helix	trans	-86.2	-20.6	-171.5	54.4	0	0	0	0	114.2	H151 L152	H151-T155 PolarHBondContact O-N 3.4Å; H151-T155 PolarHBondContact O-OG1 2.84Å; L152-T155 PolarHBondContact O-N 2.84Å
156	H	94.8	Very high	96.4	Very high	76 Å²	76	51.5 Å²	51.5	35%	0.352	28%	0.282	S	S	.	.			trans	-127.8	35.3	-176.3	-59.1	83.8	0	0	0	112.8	L152 G158 L159 I160 L214	L152-H156 WeakPolarHBondContact O-CA 3.31Å; L152-H156 WeakPolarHBondContact O-CB 3.44Å; L152-H156 PolarHBondContact O-N 2.79Å; H156-G158 PolarHBondContact O-N 3.03Å; H156-L159 PolarHBondContact O-N 2.8Å; H156-I160 HydrophobicContact CB-CD1 4.41Å; H156-I160 PolarHBondContact O-N 2.96Å; H156-L214 HydrophobicContact CB-CD2 4.05Å
157	S	92.3	Very high	96.5	Very high	74 Å²	74	57.4 Å²	57.4	52%	0.517	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-17.4	-174	63.3	0	0	0	0	115.7
158	G	91.5	Very high	96.6	Very high	54 Å²	54	54.3 Å²	54.3	56%	0.557	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-20.3	172.5	0	0	0	0	0	114.6	H156	H156-G158 PolarHBondContact O-N 3.03Å
159	L	93.9	Very high	96.7	Very high	21 Å²	21	58.8 Å²	58.8	11%	0.11	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-30.8	-176.6	-164.9	73.6	0	0	0	113.2	H156 L179 G180 R181 L214 L227	H156-L159 PolarHBondContact O-N 2.8Å; L159-L179 HydrophobicContact CD2-CD1 3.77Å; L159-L179 HydrophobicContact CG-CD1 3.78Å; L159-L179 WeakPolarHBondContact O-CA 3.38Å; L159-G180 PolarHBondContact O-N 2.82Å; L159-R181 HydrophobicContact CD1-CG 3.82Å; L159-L214 HydrophobicContact CD2-CD2 3.85Å; L159-L227 HydrophobicContact CD2-CD1 4.3Å
160	I	96.9	Very high	96.7	Very high	3 Å²	3	62.2 Å²	62.2	2%	0.015	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	134.3	-177.4	-68	178	0	0	0	109.8	L152 H156 L177 K178 L179 V210 L214	L152-I160 HydrophobicContact CB-CD1 4.08Å; L152-I160 HydrophobicContact CD1-CD1 4.08Å; H156-I160 HydrophobicContact CB-CD1 4.41Å; H156-I160 PolarHBondContact O-N 2.96Å; I160-L177 HydrophobicContact CG2-CD2 3.86Å; I160-K178 WeakPolarHBondContact CA-O 3.24Å; I160-L179 HydrophobicContact CD1-CD1 3.98Å; I160-L179 HydrophobicContact CG1-CD1 3.39Å; I160-V210 HydrophobicContact CD1-CG1 3.87Å; I160-L214 HydrophobicContact CD1-CD1 3.76Å; I160-L214 HydrophobicContact CD1-CD2 3.78Å; I160-L214 HydrophobicContact CD1-CG 4.01Å; I160-L214 HydrophobicContact CG1-CD2 4.39Å
161	H	97.6	Very high	96.7	Very high	103 Å²	103	59.4 Å²	59.4	48%	0.477	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	121.9	166	-174.6	36.9	0	0	0	110.6	N153 F163 K178	N153-H161 WeakPolarHBondContact OD1-CA 3.36Å; H161-F163 AromaticContact CD2-CD1 3.93Å; H161-K178 PolarHBondContact N-O 3.34Å; H161-K178 PolarHBondContact O-N 3.43Å
162	M	98.1	Very high	96.9	Very high	16 Å²	16	59.7 Å²	59.7	8%	0.079	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	135.8	176	-169.2	-168.2	88.6	0	0	110.7	M149 H150 N153 F175 I176 L177	M149-M162 HydrophobicContact CB-CG 4.42Å; M149-M162 HydrophobicContact CB-SD 3.51Å; M149-M162 VanDerWaalsContact CB-SD 3.51Å; H150-M162 WeakPolarHBondContact CE1-CE 3.23Å; H150-M162 VanDerWaalsContact ND1-CE 3.32Å; H150-M162 WeakPolarHBondContact ND1-CE 3.29Å; N153-M162 HydrophobicContact CB-CB 3.73Å; N153-M162 PolarHBondContact OD1-N 3.11Å; M162-F175 HydrophobicContact CE-CD1 3.61Å; M162-F175 HydrophobicContact CE-CE1 3.54Å; M162-F175 HydrophobicContact CE-CG 4.16Å; M162-F175 HydrophobicContact CE-CZ 4.02Å; M162-F175 HydrophobicContact CG-CB 4.39Å; M162-F175 HydrophobicContact CG-CD1 4.25Å; M162-F175 HydrophobicContact SD-CD1 4.21Å; M162-F175 HydrophobicContact SD-CG 4.29Å; M162-I176 WeakPolarHBondContact CA-O 3.49Å; M162-L177 HydrophobicContact CB-CD2 3.73Å; M162-L177 HydrophobicContact CG-CD2 3.81Å
163	F	98.5	Very high	97	Very high	60 Å²	60	61 Å²	61	26%	0.263	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	160.9	170.7	57.6	-85.3	0	0	0	110.8	H161 I165 I176 K178 Y233 F309	H161-F163 AromaticContact CD2-CD1 3.93Å; F163-I165 HydrophobicContact CD2-CG2 4.13Å; F163-I165 HydrophobicContact CE2-CG2 3.8Å; F163-I176 HydrophobicContact CD2-CD1 4.44Å; F163-I176 HydrophobicContact CD2-CG1 4.14Å; F163-I176 HydrophobicContact CE1-CD1 4.35Å; F163-I176 HydrophobicContact CE1-CG1 4.15Å; F163-I176 HydrophobicContact CE2-CD1 3.56Å; F163-I176 HydrophobicContact CE2-CG1 3.7Å; F163-I176 HydrophobicContact CZ-CD1 3.5Å; F163-I176 VanDerWaalsContact CZ-CD1 3.5Å; F163-I176 HydrophobicContact CZ-CG1 3.7Å; F163-I176 PolarHBondContact N-O 3.07Å; F163-I176 VanDerWaalsContact N-O 3.14Å; F163-I176 PolarHBondContact O-N 2.89Å; F163-K178 HydrophobicContact CE1-CB 3.94Å; F163-Y233 HydrophobicContact CE1-CE1 4.49Å; F163-Y233 HydrophobicContact CZ-CD1 4.3Å; F163-Y233 HydrophobicContact CZ-CE1 4.08Å; F163-F309 AromaticContact CE2-CE2 3.88Å; F163-F309 HydrophobicContact CE2-CE2 3.88Å; F163-F309 HydrophobicContact CZ-CE2 4.03Å; F163-F309 HydrophobicContact CZ-CZ 4.4Å
164	S	98.6	Very high	97.1	Very high	50 Å²	50	58.9 Å²	58.9	35%	0.35	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	141	176.2	-176.5	0	0	0	0	111.1	G166 L174	S164-G166 PolarHBondContact OG-N 2.84Å; S164-G166 PolarHBondContact OG-O 3.23Å; S164-L174 WeakPolarHBondContact CA-O 3.45Å; S164-L174 PolarHBondContact OG-N 2.96Å; S164-L174 PolarHBondContact OG-O 2.99Å
165	I	98.7	Very high	97.3	Very high	33 Å²	33	52.2 Å²	52.2	17%	0.169	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-0.2	173.9	59.6	167.1	0	0	0	113.3	F163 L174 I176 W190 A305 V306 F309	F163-I165 HydrophobicContact CD2-CG2 4.13Å; F163-I165 HydrophobicContact CE2-CG2 3.8Å; I165-L174 HydrophobicContact CG1-CB 4.08Å; I165-L174 WeakPolarHBondContact CG1-O 3.49Å; I165-L174 PolarHBondContact N-O 3.15Å; I165-I176 HydrophobicContact CD1-CG2 4.12Å; I165-I176 HydrophobicContact CG1-CG2 4.37Å; I165-I176 HydrophobicContact CG2-CD1 3.6Å; I165-I176 HydrophobicContact CG2-CG1 3.98Å; I165-W190 HydrophobicContact CD1-CH2 4.11Å; I165-A305 HydrophobicContact CD1-CB 4.42Å; I165-A305 HydrophobicContact CG1-CB 4.37Å; I165-V306 HydrophobicContact CD1-CG2 3.82Å; I165-F309 HydrophobicContact CD1-CB 4.33Å; I165-F309 HydrophobicContact CG2-CB 4.48Å; I165-F309 HydrophobicContact CG2-CD2 3.57Å; I165-F309 HydrophobicContact CG2-CE2 4.09Å; I165-F309 HydrophobicContact CG2-CG 4.17Å
166	G	98.6	Very high	97.5	Very high	26 Å²	26	48.9 Å²	48.9	27%	0.268	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	164.5	-163.3	-178.4	0	0	0	0	0	112.7	S164 L174	S164-G166 PolarHBondContact OG-N 2.84Å; S164-G166 PolarHBondContact OG-O 3.23Å; G166-L174 PolarHBondContact O-N 2.95Å
167	R	98.8	Very high	97.7	Very high	165 Å²	165	45.3 Å²	45.3	62%	0.623	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-130.7	148.3	173.9	-69.1	-178.2	175.5	-116.7	7.7	109.8	G171 R172	R167-G171 PolarHBondContact NH1-O 2.85Å; R167-R172 CarbonylContact C-O 3.56Å; R167-R172 VanDerWaalsContact CA-O 3.24Å; R167-R172 WeakPolarHBondContact CA-O 3.49Å
168	S	98.8	Very high	97.9	Very high	7 Å²	7	44.4 Å²	44.4	5%	0.049	23%	0.233	C	C	.	.			trans	-71	175.2	171.2	68.2	0	0	0	0	111.9	E170 G171 R172 V240 D241 E302	S168-E170 VanDerWaalsContact C-N 3.32Å; S168-E170 PolarHBondContact O-N 2.81Å; S168-G171 PolarHBondContact O-N 2.79Å; S168-G171 PolarHBondContact OG-N 3.38Å; S168-R172 PolarHBondContact N-O 2.8Å; S168-R172 WeakPolarHBondContact OG-CB 3.18Å; S168-R172 PolarHBondContact OG-N 2.99Å; S168-R172 PolarHBondContact OG-O 2.99Å; S168-V240 VanDerWaalsContact CB-CG2 3.43Å; S168-D241 VanDerWaalsContact CB-CG 3.46Å; S168-D241 VanDerWaalsContact CB-OD1 3.29Å; S168-D241 WeakPolarHBondContact CB-OD1 3.11Å; S168-D241 VanDerWaalsContact CB-OD2 3.24Å; S168-D241 WeakPolarHBondContact CB-OD2 3.49Å; S168-D241 PolarHBondContact OG-OD1 3.48Å; S168-D241 PolarHBondContact OG-OD2 3.07Å; S168-D241 VanDerWaalsContact OG-OD2 3.06Å; S168-E302 VanDerWaalsContact CA-OE1 3.31Å; S168-E302 WeakPolarHBondContact CA-OE1 3.39Å; S168-E302 WeakPolarHBondContact CB-OE1 3.08Å
169	Y	98.7	Very high	98.2	Very high	98 Å²	98	41.9 Å²	41.9	38%	0.384	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-40.6	177.5	-176.7	-89.9	0	0	0	113	G171 D241 R259 E302	Y169-G171 PolarHBondContact O-N 2.92Å; Y169-D241 PolarHBondContact N-OD2 3.14Å; Y169-R259 HydrophobicContact CE1-CB 4.46Å; Y169-R259 HydrophobicContact CE1-CG 3.96Å; Y169-R259 WeakPolarHBondContact OH-CB 3.33Å; Y169-R259 WeakPolarHBondContact OH-CG 3.27Å; Y169-R259 PolarHBondContact OH-N 3.16Å; Y169-E302 PolarHBondContact N-OE1 3.47Å
170	E	98.6	Very high	98.2	Very high	80 Å²	80	41.1 Å²	41.1	37%	0.374	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	9.8	176.8	-58.7	-177.6	163.3	0	0	112.6	S168 R172 D241 R257	S168-E170 VanDerWaalsContact C-N 3.32Å; S168-E170 PolarHBondContact O-N 2.81Å; E170-R172 IonicContact OE2-CZ 2.83Å; E170-R172 IonicContact OE2-NH1 2.69Å; E170-R172 PolarHBondContact OE2-NH1 3.42Å; E170-R172 IonicContact OE2-NH2 3.64Å; E170-R172 PolarHBondContact OE2-NH2 2.95Å; E170-D241 WeakPolarHBondContact CB-OD2 3.38Å; E170-D241 HydrophobicContact CG-CB 4.32Å; E170-D241 WeakPolarHBondContact CG-OD2 3.24Å; E170-D241 PolarHBondContact N-OD2 2.79Å; E170-R257 HydrophobicContact CG-CB 4.21Å; E170-R257 WeakPolarHBondContact OE1-CB 3.2Å; E170-R257 IonicContact OE1-NE 3.86Å
171	G	98.6	Very high	97.9	Very high	30 Å²	30	45.9 Å²	45.9	31%	0.309	22%	0.221	S	C	.	.	S	Bend	trans	89.4	7.2	168.3	0	0	0	0	0	116.1	R167 S168 Y169	R167-G171 PolarHBondContact NH1-O 2.85Å; S168-G171 PolarHBondContact O-N 2.79Å; S168-G171 PolarHBondContact OG-N 3.38Å; Y169-G171 PolarHBondContact O-N 2.92Å
172	R	98.7	Very high	97.4	Very high	64 Å²	64	50.9 Å²	50.9	24%	0.242	24%	0.236	C	C	.	.			trans	-75.5	141.4	178.1	-59.1	-175.2	179.9	78.1	1.8	110.8	R167 S168 E170 V240 D241 H244	R167-R172 CarbonylContact C-O 3.56Å; R167-R172 VanDerWaalsContact CA-O 3.24Å; R167-R172 WeakPolarHBondContact CA-O 3.49Å; S168-R172 PolarHBondContact N-O 2.8Å; S168-R172 WeakPolarHBondContact OG-CB 3.18Å; S168-R172 PolarHBondContact OG-N 2.99Å; S168-R172 PolarHBondContact OG-O 2.99Å; E170-R172 IonicContact OE2-CZ 2.83Å; E170-R172 IonicContact OE2-NH1 2.69Å; E170-R172 PolarHBondContact OE2-NH1 3.42Å; E170-R172 IonicContact OE2-NH2 3.64Å; E170-R172 PolarHBondContact OE2-NH2 2.95Å; R172-V240 HydrophobicContact CB-CG2 3.82Å; R172-D241 IonicContact CZ-OD1 3.49Å; R172-D241 IonicContact NH1-OD1 2.72Å; R172-D241 PolarHBondContact NH1-OD1 3.5Å; R172-H244 PolarHBondContact NH2-CD2 3.29Å
173	S	98.7	Very high	96.8	Very high	33 Å²	33	53.1 Å²	53.1	23%	0.231	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	137.4	178.8	-67.2	0	0	0	0	112.2	F175	S173-F175 VanDerWaalsContact CB-CE2 3.48Å; S173-F175 VanDerWaalsContact CB-CZ 3.46Å; S173-F175 PolarHBondContact O-N 3.41Å
174	L	98.9	Very high	95.6	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	86	176.1	-60.1	177.7	0	0	0	109.3	S164 I165 G166 M235 V240 E302 A305	S164-L174 WeakPolarHBondContact CA-O 3.45Å; S164-L174 PolarHBondContact OG-N 2.96Å; S164-L174 PolarHBondContact OG-O 2.99Å; I165-L174 HydrophobicContact CG1-CB 4.08Å; I165-L174 WeakPolarHBondContact CG1-O 3.49Å; I165-L174 PolarHBondContact N-O 3.15Å; G166-L174 PolarHBondContact O-N 2.95Å; L174-M235 HydrophobicContact CB-CE 3.85Å; L174-M235 HydrophobicContact CD2-CE 4Å; L174-M235 HydrophobicContact CG-CE 4.37Å; L174-V240 HydrophobicContact CD2-CG1 4.17Å; L174-V240 HydrophobicContact CD2-CG2 3.69Å; L174-E302 HydrophobicContact CD1-CB 4.39Å; L174-E302 HydrophobicContact CD1-CG 4.42Å; L174-E302 HydrophobicContact CD2-CG 4.08Å; L174-A305 HydrophobicContact CD1-CB 3.61Å
175	F	98.8	Very high	94.6	Very high	33 Å²	33	67.3 Å²	67.3	15%	0.145	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	141.8	-176.4	-68	-62	0	0	0	112.9	Q146 M149 H150 M162 S173	Q146-F175 HydrophobicContact CG-CD2 4.25Å; M149-F175 HydrophobicContact CE-CB 3.85Å; M149-F175 HydrophobicContact CE-CD2 4.26Å; M149-F175 HydrophobicContact CE-CG 4.46Å; M149-F175 HydrophobicContact SD-CB 4.13Å; H150-F175 AromaticContact NE2-CZ 3.97Å; M162-F175 HydrophobicContact CE-CD1 3.61Å; M162-F175 HydrophobicContact CE-CE1 3.54Å; M162-F175 HydrophobicContact CE-CG 4.16Å; M162-F175 HydrophobicContact CE-CZ 4.02Å; M162-F175 HydrophobicContact CG-CB 4.39Å; M162-F175 HydrophobicContact CG-CD1 4.25Å; M162-F175 HydrophobicContact SD-CD1 4.21Å; M162-F175 HydrophobicContact SD-CG 4.29Å; S173-F175 VanDerWaalsContact CB-CE2 3.48Å; S173-F175 VanDerWaalsContact CB-CZ 3.46Å; S173-F175 PolarHBondContact O-N 3.41Å
176	I	98.8	Very high	94.1	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	151.5	167	67.7	174.8	0	0	0	110.9	M162 F163 I165 W190 Y233 I234 M235 F309	M162-I176 WeakPolarHBondContact CA-O 3.49Å; F163-I176 HydrophobicContact CD2-CD1 4.44Å; F163-I176 HydrophobicContact CD2-CG1 4.14Å; F163-I176 HydrophobicContact CE1-CD1 4.35Å; F163-I176 HydrophobicContact CE1-CG1 4.15Å; F163-I176 HydrophobicContact CE2-CD1 3.56Å; F163-I176 HydrophobicContact CE2-CG1 3.7Å; F163-I176 HydrophobicContact CZ-CD1 3.5Å; F163-I176 VanDerWaalsContact CZ-CD1 3.5Å; F163-I176 HydrophobicContact CZ-CG1 3.7Å; F163-I176 PolarHBondContact N-O 3.07Å; F163-I176 VanDerWaalsContact N-O 3.14Å; F163-I176 PolarHBondContact O-N 2.89Å; I165-I176 HydrophobicContact CD1-CG2 4.12Å; I165-I176 HydrophobicContact CG1-CG2 4.37Å; I165-I176 HydrophobicContact CG2-CD1 3.6Å; I165-I176 HydrophobicContact CG2-CG1 3.98Å; I176-W190 HydrophobicContact CD1-CH2 4.45Å; I176-W190 HydrophobicContact CD1-CZ3 3.9Å; I176-W190 HydrophobicContact CG2-CH2 3.82Å; I176-W190 HydrophobicContact CG2-CZ3 4.22Å; I176-Y233 HydrophobicContact CD1-CD1 4.03Å; I176-I234 CarbonylContact C-O 3.59Å; I176-I234 VanDerWaalsContact CA-O 3.29Å; I176-I234 WeakPolarHBondContact CA-O 3.2Å; I176-M235 HydrophobicContact CG2-CB 3.76Å; I176-M235 HydrophobicContact CG2-CG 3.93Å; I176-M235 HydrophobicContact CG2-SD 4.31Å; I176-F309 HydrophobicContact CD1-CD2 4.28Å; I176-F309 HydrophobicContact CD1-CE1 4.16Å; I176-F309 HydrophobicContact CD1-CE2 3.78Å; I176-F309 HydrophobicContact CD1-CZ 3.72Å
177	L	98.8	Very high	93.9	Very high	1 Å²	1	70.8 Å²	70.8	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	121.5	171.4	-60.7	176.6	0	0	0	109.2	W148 M149 I160 M162 V210 F232 Y233 I234	W148-L177 HydrophobicContact CH2-CD1 3.83Å; W148-L177 HydrophobicContact CZ3-CD1 3.93Å; M149-L177 HydrophobicContact CB-CD2 4.09Å; M149-L177 HydrophobicContact CG-CD1 4.12Å; M149-L177 HydrophobicContact CG-CD2 4.17Å; M149-L177 HydrophobicContact CG-CG 4.24Å; M149-L177 HydrophobicContact SD-CG 4.3Å; I160-L177 HydrophobicContact CG2-CD2 3.86Å; M162-L177 HydrophobicContact CB-CD2 3.73Å; M162-L177 HydrophobicContact CG-CD2 3.81Å; L177-V210 HydrophobicContact CD1-CG1 4.31Å; L177-V210 HydrophobicContact CD1-CG2 3.97Å; L177-F232 VanDerWaalsContact O-O 3.14Å; L177-Y233 CarbonylContact O-C 3.56Å; L177-Y233 WeakPolarHBondContact O-CA 3.34Å; L177-I234 HydrophobicContact CB-CB 4.47Å; L177-I234 PolarHBondContact N-O 2.98Å; L177-I234 PolarHBondContact O-N 3.36Å
178	K	97.9	Very high	93.8	Very high	56 Å²	56	63 Å²	63	24%	0.243	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	112.2	164.2	-179	-173.2	-177.2	-175.4	0	108.8	I160 H161 F163 Y231 F232 Y233	I160-K178 WeakPolarHBondContact CA-O 3.24Å; H161-K178 PolarHBondContact N-O 3.34Å; H161-K178 PolarHBondContact O-N 3.43Å; F163-K178 HydrophobicContact CE1-CB 3.94Å; K178-Y231 HydrophobicContact CD-CD1 4.48Å; K178-Y231 VanDerWaalsContact CE-CD1 3.48Å; K178-Y231 HydrophobicContact CG-CD1 4.22Å; K178-F232 CarbonylContact C-O 3.6Å; K178-F232 WeakPolarHBondContact CA-O 3.25Å; K178-Y233 HydrophobicContact CB-CD1 3.92Å; K178-Y233 HydrophobicContact CB-CE1 3.8Å; K178-Y233 HydrophobicContact CD-CE1 3.77Å; K178-Y233 HydrophobicContact CG-CD1 4.07Å; K178-Y233 HydrophobicContact CG-CE1 3.61Å
179	L	97.1	Very high	93.8	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.6	-179.3	179	74.5	0	0	0	110.7	L159 I160 F209 A213 L227 Y231 F232 I234	L159-L179 HydrophobicContact CD2-CD1 3.77Å; L159-L179 HydrophobicContact CG-CD1 3.78Å; L159-L179 WeakPolarHBondContact O-CA 3.38Å; I160-L179 HydrophobicContact CD1-CD1 3.98Å; I160-L179 HydrophobicContact CG1-CD1 3.39Å; L179-F209 HydrophobicContact CD2-CE1 4.12Å; L179-A213 HydrophobicContact CD2-CB 3.57Å; L179-L227 HydrophobicContact CD2-CD2 3.9Å; L179-L227 HydrophobicContact CG-CD2 3.83Å; L179-Y231 CarbonylContact O-C 3.57Å; L179-Y231 WeakPolarHBondContact O-CA 3.44Å; L179-F232 HydrophobicContact CB-CB 4.25Å; L179-F232 PolarHBondContact N-O 3.39Å; L179-F232 PolarHBondContact O-N 2.97Å; L179-I234 HydrophobicContact CB-CD1 4.34Å; L179-I234 HydrophobicContact CD2-CD1 4.13Å
180	G	94.5	Very high	93.8	Very high	5 Å²	5	58 Å²	58	5%	0.052	26%	0.263	C	S	.	.	S	Bend	trans	143.8	157.8	172.9	0	0	0	0	0	112.7	L159	L159-G180 PolarHBondContact O-N 2.82Å
181	R	90.9	Very high	93.8	Very high	103 Å²	103	54.2 Å²	54.2	39%	0.389	25%	0.245	S	C	.	.			trans	-66.6	146	179.9	-67	-165.7	175.4	160.4	-14.3	111.4	L159 S183 K186 L227 N228 Y231	L159-R181 HydrophobicContact CD1-CG 3.82Å; R181-S183 PolarHBondContact O-N 2.65Å; R181-K186 WeakPolarHBondContact O-CE 3.43Å; R181-K186 PolarHBondContact O-NZ 3.32Å; R181-L227 PolarHBondContact N-O 3.2Å; R181-L227 VanDerWaalsContact N-O 3.15Å; R181-N228 WeakPolarHBondContact CD-OD1 3.28Å; R181-N228 PolarHBondContact NH1-OD1 2.98Å; R181-N228 VanDerWaalsContact NH1-OD1 3.09Å; R181-Y231 WeakPolarHBondContact O-CE1 3.47Å
182	R	86	Confident	93.8	Very high	209 Å²	209	52.8 Å²	52.8	79%	0.789	23%	0.23	S	C	*	.			trans	-62.6	124.4	179.1	-68.4	-177.9	179.2	164	1.1	111
183	S	85.6	Confident	93.9	Very high	63 Å²	63	49.7 Å²	49.7	44%	0.441	22%	0.219	S	C	.	.			trans	-162.2	150.5	169.8	177.7	0	0	0	0	110.1	R181 K186 Y231	R181-S183 PolarHBondContact O-N 2.65Å; S183-K186 VanDerWaalsContact CB-CE 3.43Å; S183-Y231 PolarHBondContact N-OH 3.01Å; S183-Y231 PolarHBondContact O-OH 2.92Å
184	R	73.1	Confident	93.8	Very high	242 Å²	242	48.2 Å²	48.2	91%	0.913	21%	0.208	S	C	*	.	S	Bend	trans	-76.7	-23.6	-176.5	-81	-179	66	108.4	-3.3	114.6
185	L	79.1	Confident	93.8	Very high	165 Å²	165	48.2 Å²	48.2	86%	0.864	21%	0.208	S	C	*	.	S	Bend	trans	-117.5	24.4	-164.6	-64.9	174.6	0	0	0	114.9
186	K	88.3	Confident	93.8	Very high	15 Å²	15	46.8 Å²	46.8	7%	0.065	20%	0.202	C	C	.	.			trans	-79.3	143.3	-178.5	-62.2	-171.1	-177.1	-165.1	0	112.7	R181 S183 L227 N228 H229 Y231	R181-K186 WeakPolarHBondContact O-CE 3.43Å; R181-K186 PolarHBondContact O-NZ 3.32Å; S183-K186 VanDerWaalsContact CB-CE 3.43Å; K186-L227 PolarHBondContact NZ-O 3.35Å; K186-N228 WeakPolarHBondContact CE-O 3.32Å; K186-N228 VanDerWaalsContact NZ-C 3.34Å; K186-N228 PolarHBondContact NZ-O 2.96Å; K186-H229 WeakPolarHBondContact CB-O 3.45Å; K186-Y231 HydrophobicContact CB-CD2 3.62Å; K186-Y231 HydrophobicContact CB-CE2 3.7Å; K186-Y231 HydrophobicContact CB-CG 4.37Å; K186-Y231 HydrophobicContact CD-CD1 4.31Å; K186-Y231 HydrophobicContact CD-CD2 4.13Å; K186-Y231 HydrophobicContact CD-CE1 4.12Å; K186-Y231 HydrophobicContact CD-CE2 3.93Å; K186-Y231 HydrophobicContact CD-CG 4.31Å; K186-Y231 HydrophobicContact CG-CD2 4.36Å; K186-Y231 HydrophobicContact CG-CE2 4.08Å
187	R	94.1	Very high	93.8	Very high	117 Å²	117	46.8 Å²	46.8	44%	0.442	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	163.9	160.1	-65.7	166.7	179.2	-168.7	2.9	108.8	L230 Y231 H316 R318 L432	R187-L230 HydrophobicContact CB-CD2 3.78Å; R187-L230 CarbonylContact O-C 3.57Å; R187-L230 VanDerWaalsContact O-CA 3.29Å; R187-L230 WeakPolarHBondContact O-CA 3.31Å; R187-Y231 PolarHBondContact O-N 3.06Å; R187-H316 CarbonylContact C-O 3.55Å; R187-H316 WeakPolarHBondContact CA-O 3.4Å; R187-R318 HydrophobicContact CB-CG 3.92Å; R187-R318 HydrophobicContact CG-CG 3.84Å; R187-L432 PolarHBondContact NH1-O 3.43Å
188	A	96.5	Very high	93.8	Very high	2 Å²	2	47 Å²	47	2%	0.017	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	152.6	179.8	0	0	0	0	0	112.3	Y231 Y233 H316 I317 R318	A188-Y231 CarbonylContact C-O 3.5Å; A188-Y231 WeakPolarHBondContact CA-O 3.2Å; A188-Y233 HydrophobicContact CB-CD2 3.86Å; A188-Y233 HydrophobicContact CB-CE2 3.63Å; A188-H316 PolarHBondContact N-O 2.95Å; A188-I317 HydrophobicContact CB-CG1 3.97Å; A188-I317 CarbonylContact O-C 3.45Å; A188-I317 WeakPolarHBondContact O-CA 3.41Å; A188-R318 PolarHBondContact O-N 3.08Å
189	V	98.4	Very high	93.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	128.7	169.7	180	0	0	0	0	106.8	I191 L230 Y231 F232 Y233 A319 L321 T429 L432	V189-I191 HydrophobicContact CG1-CD1 4.49Å; V189-I191 HydrophobicContact CG1-CG1 4.03Å; V189-L230 HydrophobicContact CG2-CD1 4.07Å; V189-Y231 PolarHBondContact N-O 2.89Å; V189-F232 HydrophobicContact CB-CD1 3.83Å; V189-F232 HydrophobicContact CB-CE1 4.02Å; V189-F232 HydrophobicContact CG1-CD1 4.16Å; V189-F232 HydrophobicContact CG1-CE1 4.27Å; V189-F232 HydrophobicContact CG2-CD1 4.46Å; V189-F232 HydrophobicContact CG2-CE1 4.19Å; V189-F232 CarbonylContact O-C 3.42Å; V189-F232 WeakPolarHBondContact O-CA 3.25Å; V189-Y233 PolarHBondContact O-N 2.92Å; V189-A319 WeakPolarHBondContact CA-O 3.39Å; V189-A319 HydrophobicContact CG1-CB 4.11Å; V189-A319 HydrophobicContact CG2-CB 4.29Å; V189-L321 HydrophobicContact CG1-CD1 4.06Å; V189-L321 HydrophobicContact CG1-CG 4.24Å; V189-T429 HydrophobicContact CG1-CG2 4.31Å; V189-T429 HydrophobicContact CG2-CG2 4.08Å; V189-L432 HydrophobicContact CG2-CD1 3.65Å
190	W	98.8	Very high	93.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	132.5	169.2	176.5	-87.9	0	0	0	109.1	I165 I176 D192 Y233 M235 V306 F309 L310 I317 A319 Y320 L321	I165-W190 HydrophobicContact CD1-CH2 4.11Å; I176-W190 HydrophobicContact CD1-CH2 4.45Å; I176-W190 HydrophobicContact CD1-CZ3 3.9Å; I176-W190 HydrophobicContact CG2-CH2 3.82Å; I176-W190 HydrophobicContact CG2-CZ3 4.22Å; W190-D192 HydrophobicContact CZ2-CB 4.19Å; W190-D192 PolarHBondContact NE1-OD2 3.25Å; W190-Y233 WeakPolarHBondContact CA-O 3.24Å; W190-M235 HydrophobicContact CH2-CB 4.14Å; W190-M235 HydrophobicContact CH2-SD 4.32Å; W190-M235 HydrophobicContact CZ2-CB 3.92Å; W190-M235 HydrophobicContact CZ2-SD 4.11Å; W190-V306 HydrophobicContact CH2-CG1 4.06Å; W190-V306 HydrophobicContact CH2-CG2 4.31Å; W190-V306 HydrophobicContact CZ2-CB 4.4Å; W190-V306 HydrophobicContact CZ2-CG1 3.48Å; W190-V306 VanDerWaalsContact CZ2-CG1 3.48Å; W190-V306 HydrophobicContact CZ2-CG2 4.02Å; W190-F309 AromaticContact CE3-CD1 3.84Å; W190-F309 HydrophobicContact CE3-CD1 3.84Å; W190-F309 AromaticContact CE3-CE1 3.73Å; W190-F309 HydrophobicContact CE3-CE1 3.73Å; W190-F309 HydrophobicContact CH2-CD1 4.32Å; W190-F309 AromaticContact CZ3-CD1 3.45Å; W190-F309 HydrophobicContact CZ3-CD1 3.45Å; W190-F309 VanDerWaalsContact CZ3-CD1 3.45Å; W190-F309 AromaticContact CZ3-CE1 3.53Å; W190-F309 HydrophobicContact CZ3-CE1 3.53Å; W190-F309 HydrophobicContact CZ3-CG 4.33Å; W190-F309 HydrophobicContact CZ3-CZ 4.44Å; W190-L310 HydrophobicContact CB-CD2 3.95Å; W190-L310 HydrophobicContact CD2-CD2 3.74Å; W190-L310 HydrophobicContact CE3-CD2 3.93Å; W190-L310 HydrophobicContact CG-CD2 3.74Å; W190-I317 HydrophobicContact CB-CG2 4.14Å; W190-A319 PolarHBondContact N-O 3.09Å; W190-Y320 HydrophobicContact CB-CD2 4.3Å; W190-Y320 AromaticContact CD1-CD2 3.22Å; W190-Y320 AromaticContact CD1-CE2 3.22Å; W190-Y320 AromaticContact CG-CD2 3.97Å; W190-Y320 HydrophobicContact CG-CD2 3.97Å; W190-Y320 HydrophobicContact CG-CE2 4.25Å; W190-Y320 AromaticContact NE1-CD2 3.93Å; W190-Y320 AromaticContact NE1-CE2 3.44Å; W190-L321 PolarHBondContact O-N 3.04Å
191	I	98.9	Very high	94.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	122.8	175.2	-61.9	-177.7	0	0	0	107.4	V189 F209 F232 Y233 I234 M235 L321 F323 V425	V189-I191 HydrophobicContact CG1-CD1 4.49Å; V189-I191 HydrophobicContact CG1-CG1 4.03Å; I191-F209 HydrophobicContact CD1-CD1 4.32Å; I191-F209 HydrophobicContact CD1-CD2 4.41Å; I191-F209 HydrophobicContact CD1-CE1 4.13Å; I191-F209 HydrophobicContact CD1-CE2 4.25Å; I191-F209 HydrophobicContact CD1-CG 4.47Å; I191-F209 HydrophobicContact CD1-CZ 4.11Å; I191-F232 HydrophobicContact CD1-CD1 3.89Å; I191-F232 HydrophobicContact CD1-CE1 4.47Å; I191-Y233 PolarHBondContact N-O 2.97Å; I191-I234 HydrophobicContact CB-CG1 4.25Å; I191-I234 HydrophobicContact CG2-CG2 4.4Å; I191-I234 CarbonylContact O-C 3.19Å; I191-I234 VanDerWaalsContact O-CA 3.29Å; I191-I234 WeakPolarHBondContact O-CA 3.31Å; I191-M235 PolarHBondContact O-N 2.62Å; I191-L321 WeakPolarHBondContact CA-O 3.4Å; I191-L321 HydrophobicContact CD1-CD1 4.43Å; I191-L321 HydrophobicContact CG1-CB 4.31Å; I191-L321 HydrophobicContact CG1-CD1 4.24Å; I191-F323 HydrophobicContact CG2-CD2 3.92Å; I191-F323 HydrophobicContact CG2-CE2 3.72Å; I191-V425 HydrophobicContact CD1-CG1 4.47Å
192	D	98.9	Very high	94.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	151.7	169.2	67.3	87.6	0	0	0	112.4	W190 M235 F238 Y320 L321 S322 F323	W190-D192 HydrophobicContact CZ2-CB 4.19Å; W190-D192 PolarHBondContact NE1-OD2 3.25Å; D192-M235 WeakPolarHBondContact CA-O 3.39Å; D192-M235 HydrophobicContact CB-CB 4.02Å; D192-F238 HydrophobicContact CB-CD2 4.22Å; D192-Y320 PolarHBondContact OD1-OH 2.88Å; D192-Y320 WeakPolarHBondContact OD2-CE2 3.47Å; D192-Y320 PolarHBondContact OD2-OH 3.47Å; D192-L321 PolarHBondContact N-O 2.9Å; D192-S322 PolarHBondContact OD1-OG 3.36Å; D192-F323 PolarHBondContact O-N 3.49Å
193	C	98.9	Very high	95.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	155.2	-178	-61.7	0	0	0	0	110	I195 G202 C206 M235 P236 F238	C193-I195 PolarHBondContact O-N 3.03Å; C193-G202 VanDerWaalsContact CB-C 3.45Å; C193-G202 WeakPolarHBondContact CB-O 3.28Å; C193-G202 PolarHBondContact SG-O 2.98Å; C193-C206 HydrophobicContact CB-CB 3.85Å; C193-C206 WeakPolarHBondContact CB-SG 3.42Å; C193-C206 WeakPolarHBondContact SG-CB 3.36Å; C193-C206 CovalentContact SG-SG 2.03Å; C193-C206 PolarHBondContact SG-SG 3.27Å; C193-M235 PolarHBondContact N-O 3.38Å; C193-P236 WeakPolarHBondContact CB-O 3.24Å; C193-F238 WeakPolarHBondContact O-CB 3.31Å; C193-F238 PolarHBondContact O-N 3.46Å
194	G	98.6	Very high	95.7	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.01	12%	0.118	C	C	.	.			trans	67.1	36.4	171.6	0	0	0	0	0	113.7	H196 N239	G194-H196 VanDerWaalsContact C-N 3.27Å; G194-N239 WeakPolarHBondContact O-CB 3.5Å; G194-N239 PolarHBondContact O-N 3.28Å
195	I	98.9	Very high	97	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.075	C	C	.	.	S	Bend	trans	-66.2	-33.7	167.7	-172.7	167.2	0	0	0	111.1	C193 F238 N239 A270 N271 H324	C193-I195 PolarHBondContact O-N 3.03Å; I195-F238 HydrophobicContact CB-CB 4.09Å; I195-F238 HydrophobicContact CB-CD1 4.1Å; I195-F238 HydrophobicContact CB-CD2 4.5Å; I195-F238 HydrophobicContact CB-CG 4Å; I195-F238 HydrophobicContact CD1-CD1 4.29Å; I195-F238 HydrophobicContact CD1-CD2 4.44Å; I195-F238 HydrophobicContact CD1-CE1 4.06Å; I195-F238 HydrophobicContact CD1-CE2 4.19Å; I195-F238 HydrophobicContact CD1-CG 4.49Å; I195-F238 HydrophobicContact CD1-CZ 4Å; I195-F238 HydrophobicContact CG1-CD1 3.74Å; I195-F238 HydrophobicContact CG1-CD2 4.5Å; I195-F238 HydrophobicContact CG1-CE1 3.91Å; I195-F238 HydrophobicContact CG1-CG 4.07Å; I195-F238 HydrophobicContact CG1-CZ 4.34Å; I195-N239 VanDerWaalsContact O-CB 3.26Å; I195-N239 WeakPolarHBondContact O-CB 3.37Å; I195-N239 PolarHBondContact O-ND2 3.4Å; I195-A270 HydrophobicContact CD1-CB 4.03Å; I195-A270 HydrophobicContact CG1-CB 3.52Å; I195-N271 HydrophobicContact CD1-CB 4.08Å; I195-H324 WeakPolarHBondContact CG2-CE1 3.13Å
196	H	98.8	Very high	97.9	Very high	4 Å²	4	8.1 Å²	8.1	2%	0.019	3%	0.034	C	C	.	.	S	Bend	trans	-99.2	130.6	162.7	-52.5	133.5	0	0	0	110.4	G194 R198 E199 R254 D269 N271 H324	G194-H196 VanDerWaalsContact C-N 3.27Å; H196-R198 PolarHBondContact O-N 2.78Å; H196-E199 VanDerWaalsContact CB-CD 3.49Å; H196-E199 HydrophobicContact CB-CG 4.04Å; H196-E199 VanDerWaalsContact CB-OE1 3.25Å; H196-E199 WeakPolarHBondContact CB-OE1 2.68Å; H196-E199 IonicContact CE1-OE1 3.79Å; H196-E199 IonicContact CG-OE1 3.42Å; H196-E199 VanDerWaalsContact CG-OE1 3.31Å; H196-E199 IonicContact CG-OE2 2.84Å; H196-E199 IonicContact ND1-OE1 2.89Å; H196-E199 PolarHBondContact ND1-OE1 2.83Å; H196-E199 IonicContact ND1-OE2 3.65Å; H196-E199 PolarHBondContact ND1-OE2 2.56Å; H196-E199 PolarHBondContact O-N 2.86Å; H196-R254 WeakPolarHBondContact CA-O 3.42Å; H196-R254 HydrophobicContact CB-CG 3.98Å; H196-R254 VanDerWaalsContact CD2-CZ 3.48Å; H196-R254 PolarHBondContact CE1-NH1 3.17Å; H196-R254 VanDerWaalsContact CE1-NH1 3.3Å; H196-R254 PolarHBondContact CE1-NH2 2.8Å; H196-R254 PolarHBondContact ND1-NH1 3.49Å; H196-R254 VanDerWaalsContact NE2-CZ 3.3Å; H196-R254 PolarHBondContact NE2-NH2 2.93Å; H196-D269 IonicContact CD2-OD1 3.89Å; H196-D269 IonicContact NE2-OD1 3.45Å; H196-D269 PolarHBondContact NE2-OD1 2.84Å; H196-N271 WeakPolarHBondContact NE2-CB 3.3Å; H196-H324 AromaticContact CE1-CE1 3.54Å; H196-H324 AromaticContact CE1-ND1 3.4Å; H196-H324 PolarHBondContact CE1-ND1 3.18Å; H196-H324 AromaticContact ND1-CE1 3.88Å; H196-H324 AromaticContact ND1-ND1 3.33Å; H196-H324 PolarHBondContact ND1-ND1 3.03Å
197	A	98.7	Very high	98.4	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-33.8	-168.5	0	0	0	0	0	114.9	E199 W200 G242 S246 W253 R254	A197-E199 VanDerWaalsContact C-N 3.29Å; A197-E199 PolarHBondContact O-N 2.54Å; A197-W200 VanDerWaalsContact O-CD1 3.25Å; A197-W200 PolarHBondContact O-NE1 3.11Å; A197-G242 VanDerWaalsContact CB-O 3.23Å; A197-G242 WeakPolarHBondContact CB-O 3.28Å; A197-S246 PolarHBondContact O-OG 2.97Å; A197-W253 CarbonylContact C-O 3.59Å; A197-W253 VanDerWaalsContact CB-O 3.22Å; A197-W253 WeakPolarHBondContact CB-O 3.34Å; A197-R254 PolarHBondContact N-O 2.96Å
198	R	98.1	Very high	98.6	Very high	4 Å²	4	2.4 Å²	2.4	2%	0.015	1%	0.012	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-11.6	-178.3	66.3	-166.3	-173.2	-176.4	2.4	115.1	D66 L67 H196 W200 R251 F252 W253 F407	D66-R198 IonicContact OD1-NH1 3.89Å; D66-R198 PolarHBondContact OD1-NH1 3.28Å; D66-R198 VanDerWaalsContact OD1-NH1 3.09Å; D66-R198 IonicContact OD2-NH1 3.32Å; L67-R198 PolarHBondContact O-NH2 3.13Å; H196-R198 PolarHBondContact O-N 2.78Å; R198-W200 VanDerWaalsContact C-N 3.33Å; R198-W200 PolarHBondContact O-N 3.34Å; R198-W200 VanDerWaalsContact O-N 3.11Å; R198-R251 WeakPolarHBondContact CB-O 3.34Å; R198-R251 PolarHBondContact O-NH1 3.01Å; R198-F252 WeakPolarHBondContact CD-O 3.38Å; R198-F252 PolarHBondContact NH1-O 3.06Å; R198-W253 WeakPolarHBondContact CB-O 3.32Å; R198-W253 PolarHBondContact N-O 2.61Å; R198-F407 HydrophobicContact CG-CD1 4.09Å; R198-F407 HydrophobicContact CG-CD2 4.22Å; R198-F407 HydrophobicContact CG-CE1 4.31Å; R198-F407 HydrophobicContact CG-CE2 4.44Å; R198-F407 HydrophobicContact CG-CG 4.06Å; R198-F407 VanDerWaalsContact CZ-CE2 3.49Å
199	E	98.6	Very high	98.7	Very high	4 Å²	4	2.3 Å²	2.3	2%	0.019	1%	0.011	C	C	.	.			trans	-90.1	61.6	-171.7	-62.9	172.8	-161.2	0	0	111.3	H196 A197 I201 G202 P203 R254 H324 A325 F407	H196-E199 VanDerWaalsContact CB-CD 3.49Å; H196-E199 HydrophobicContact CB-CG 4.04Å; H196-E199 VanDerWaalsContact CB-OE1 3.25Å; H196-E199 WeakPolarHBondContact CB-OE1 2.68Å; H196-E199 IonicContact CE1-OE1 3.79Å; H196-E199 IonicContact CG-OE1 3.42Å; H196-E199 VanDerWaalsContact CG-OE1 3.31Å; H196-E199 IonicContact CG-OE2 2.84Å; H196-E199 IonicContact ND1-OE1 2.89Å; H196-E199 PolarHBondContact ND1-OE1 2.83Å; H196-E199 IonicContact ND1-OE2 3.65Å; H196-E199 PolarHBondContact ND1-OE2 2.56Å; H196-E199 PolarHBondContact O-N 2.86Å; A197-E199 VanDerWaalsContact C-N 3.29Å; A197-E199 PolarHBondContact O-N 2.54Å; E199-I201 PolarHBondContact O-N 3.4Å; E199-I201 VanDerWaalsContact O-N 3.11Å; E199-G202 PolarHBondContact O-N 2.9Å; E199-P203 WeakPolarHBondContact O-CD 3.48Å; E199-R254 IonicContact OE1-NH1 3.72Å; E199-R254 PolarHBondContact OE1-NH1 2.71Å; E199-H324 WeakPolarHBondContact OE2-CA 3.34Å; E199-H324 VanDerWaalsContact OE2-CB 3.29Å; E199-H324 WeakPolarHBondContact OE2-CB 3.23Å; E199-H324 IonicContact OE2-CG 3.23Å; E199-H324 IonicContact OE2-ND1 3.08Å; E199-H324 PolarHBondContact OE2-ND1 3.24Å; E199-A325 HydrophobicContact CB-CB 4.29Å; E199-A325 HydrophobicContact CG-CB 4.45Å; E199-A325 WeakPolarHBondContact CG-O 3.39Å; E199-A325 PolarHBondContact OE2-N 2.93Å; E199-A325 VanDerWaalsContact OE2-N 3.11Å; E199-F407 HydrophobicContact CG-CD1 3.94Å; E199-F407 HydrophobicContact CG-CE1 3.91Å
200	W	98.7	Very high	98.7	Very high	13 Å²	13	2.3 Å²	2.3	5%	0.049	1%	0.011	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-24.4	-168	-73	4.3	0	0	0	115.7	Y139 A197 R198 G202 P203 A204 Y243 S246 W247 R251	Y139-W200 HydrophobicContact CD1-CB 3.68Å; Y139-W200 HydrophobicContact CD1-CE3 4.45Å; Y139-W200 AromaticContact CD2-CE3 3.91Å; Y139-W200 HydrophobicContact CD2-CE3 3.91Å; Y139-W200 HydrophobicContact CE1-CB 3.69Å; Y139-W200 HydrophobicContact CG-CB 4.24Å; Y139-W200 AromaticContact CG-CE3 3.85Å; Y139-W200 HydrophobicContact CG-CE3 3.85Å; A197-W200 VanDerWaalsContact O-CD1 3.25Å; A197-W200 PolarHBondContact O-NE1 3.11Å; R198-W200 VanDerWaalsContact C-N 3.33Å; R198-W200 PolarHBondContact O-N 3.34Å; R198-W200 VanDerWaalsContact O-N 3.11Å; W200-G202 VanDerWaalsContact C-N 3.28Å; W200-G202 PolarHBondContact O-N 3.42Å; W200-P203 WeakPolarHBondContact O-CD 3.49Å; W200-A204 PolarHBondContact O-N 3.4Å; W200-Y243 AromaticContact CD1-CE2 3.44Å; W200-Y243 VanDerWaalsContact CD1-CE2 3.44Å; W200-Y243 HydrophobicContact CG-CE2 4.11Å; W200-Y243 AromaticContact NE1-CE2 3.76Å; W200-S246 PolarHBondContact NE1-OG 3.36Å; W200-W247 HydrophobicContact CD2-CZ2 4.4Å; W200-W247 AromaticContact CE2-CE2 3.98Å; W200-W247 AromaticContact CE2-NE1 3.74Å; W200-W247 HydrophobicContact CE3-CZ2 4.18Å; W200-W247 AromaticContact CH2-CD2 3.79Å; W200-W247 HydrophobicContact CH2-CD2 3.79Å; W200-W247 AromaticContact CH2-CE2 3.77Å; W200-W247 AromaticContact CH2-CE3 4Å; W200-W247 HydrophobicContact CH2-CE3 4Å; W200-W247 HydrophobicContact CH2-CG 4.35Å; W200-W247 HydrophobicContact CH2-CH2 4.19Å; W200-W247 AromaticContact CH2-CZ2 3.97Å; W200-W247 HydrophobicContact CH2-CZ2 3.97Å; W200-W247 HydrophobicContact CH2-CZ3 4.2Å; W200-W247 AromaticContact CZ2-CD1 3.84Å; W200-W247 AromaticContact CZ2-CD2 3.76Å; W200-W247 HydrophobicContact CZ2-CD2 3.76Å; W200-W247 AromaticContact CZ2-CE2 3.64Å; W200-W247 HydrophobicContact CZ2-CE3 4.42Å; W200-W247 AromaticContact CZ2-CG 3.89Å; W200-W247 HydrophobicContact CZ2-CG 3.89Å; W200-W247 HydrophobicContact CZ2-CZ2 4.2Å; W200-W247 AromaticContact CZ2-NE1 3.68Å; W200-W247 HydrophobicContact CZ3-CH2 4.1Å; W200-W247 AromaticContact CZ3-CZ2 3.97Å; W200-W247 HydrophobicContact CZ3-CZ2 3.97Å; W200-W247 HydrophobicContact CZ3-CZ3 4.45Å; W200-W247 AromaticContact NE1-NE1 4Å; W200-R251 VanDerWaalsContact CD2-CZ 3.43Å; W200-R251 VanDerWaalsContact CD2-NH2 3.31Å; W200-R251 VanDerWaalsContact CE2-NE 3.32Å; W200-R251 VanDerWaalsContact CH2-CD 3.46Å; W200-R251 VanDerWaalsContact CH2-NE 3.32Å; W200-R251 VanDerWaalsContact CZ2-NE 3.29Å
201	I	98.8	Very high	98.7	Very high	6 Å²	6	4 Å²	4	3%	0.031	2%	0.018	C	C	.	.	H	α-helix	trans	-66.5	-28	176.5	-171.7	59.1	0	0	0	112.9	E199 A204 F205 A325 L399 L409 I414 T417	E199-I201 PolarHBondContact O-N 3.4Å; E199-I201 VanDerWaalsContact O-N 3.11Å; I201-A204 HydrophobicContact CD1-CB 4.39Å; I201-A204 PolarHBondContact O-N 2.82Å; I201-F205 WeakPolarHBondContact O-CB 3.43Å; I201-F205 PolarHBondContact O-N 3.08Å; I201-A325 HydrophobicContact CG2-CB 3.41Å; I201-A325 VanDerWaalsContact CG2-CB 3.41Å; I201-L399 HydrophobicContact CG1-CD1 4.17Å; I201-L399 HydrophobicContact CG2-CB 4.16Å; I201-L399 HydrophobicContact CG2-CD1 4.24Å; I201-L409 HydrophobicContact CB-CD2 4.23Å; I201-L409 HydrophobicContact CD1-CD2 4.05Å; I201-L409 HydrophobicContact CG1-CD2 3.85Å; I201-I414 HydrophobicContact CD1-CB 4.36Å; I201-I414 HydrophobicContact CD1-CG1 4.01Å; I201-I414 HydrophobicContact CD1-CG2 4.44Å; I201-T417 HydrophobicContact CD1-CG2 4.08Å; I201-T417 HydrophobicContact CG1-CG2 3.78Å
202	G	98.7	Very high	98.6	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-59.8	-61.8	174.3	0	0	0	0	0	111.6	C193 E199 W200 A204 F205 C206	C193-G202 VanDerWaalsContact CB-C 3.45Å; C193-G202 WeakPolarHBondContact CB-O 3.28Å; C193-G202 PolarHBondContact SG-O 2.98Å; E199-G202 PolarHBondContact O-N 2.9Å; W200-G202 VanDerWaalsContact C-N 3.28Å; W200-G202 PolarHBondContact O-N 3.42Å; G202-A204 PolarHBondContact O-N 2.84Å; G202-F205 WeakPolarHBondContact O-CA 3.5Å; G202-F205 WeakPolarHBondContact O-CB 3.29Å; G202-F205 PolarHBondContact O-N 3.23Å; G202-C206 PolarHBondContact O-N 2.98Å
203	P	98.9	Very high	98.5	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-54.1	-37.3	175.3	-31.6	38	0	0	0	114.3	I145 E199 W200 C206 Q207 P236 V237 Y243	I145-P203 HydrophobicContact CD1-CB 4.42Å; E199-P203 WeakPolarHBondContact O-CD 3.48Å; W200-P203 WeakPolarHBondContact O-CD 3.49Å; P203-C206 PolarHBondContact O-N 3.35Å; P203-Q207 WeakPolarHBondContact O-CG 3.45Å; P203-Q207 PolarHBondContact O-N 2.84Å; P203-Q207 PolarHBondContact O-NE2 3.47Å; P203-P236 WeakPolarHBondContact CA-O 3.49Å; P203-P236 WeakPolarHBondContact CB-O 3.46Å; P203-V237 HydrophobicContact CB-CG2 4.19Å; P203-V237 HydrophobicContact CG-CG2 4.41Å; P203-Y243 HydrophobicContact CB-CE2 4.31Å; P203-Y243 HydrophobicContact CG-CD2 4.32Å; P203-Y243 HydrophobicContact CG-CE2 3.88Å
204	A	98.9	Very high	98.4	Very high	5 Å²	5	7 Å²	7	4%	0.041	3%	0.033	C	C	.	.	H	α-helix	trans	-62.7	-42.2	174.7	0	0	0	0	0	111.9	Y139 W200 I201 G202 Q207 W208 I414	Y139-A204 HydrophobicContact CD1-CB 4.21Å; Y139-A204 HydrophobicContact CE1-CB 4.16Å; W200-A204 PolarHBondContact O-N 3.4Å; I201-A204 HydrophobicContact CD1-CB 4.39Å; I201-A204 PolarHBondContact O-N 2.82Å; G202-A204 PolarHBondContact O-N 2.84Å; A204-Q207 PolarHBondContact O-N 3.14Å; A204-W208 PolarHBondContact O-N 3.03Å; A204-I414 HydrophobicContact CB-CG2 4.12Å
205	F	98.9	Very high	98.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-62.6	-45	174.4	173.9	-101.9	0	0	0	112.8	I201 G202 Q207 W208 F209 F323 L399 C418 T421 V425	I201-F205 WeakPolarHBondContact O-CB 3.43Å; I201-F205 PolarHBondContact O-N 3.08Å; G202-F205 WeakPolarHBondContact O-CA 3.5Å; G202-F205 WeakPolarHBondContact O-CB 3.29Å; G202-F205 PolarHBondContact O-N 3.23Å; F205-Q207 PolarHBondContact O-N 2.82Å; F205-W208 CarbonylContact O-C 3.47Å; F205-W208 WeakPolarHBondContact O-CB 3.31Å; F205-W208 PolarHBondContact O-N 3.47Å; F205-W208 VanDerWaalsContact O-N 3.07Å; F205-F209 HydrophobicContact CZ-CB 4.38Å; F205-F209 HydrophobicContact CZ-CD2 4.45Å; F205-F209 PolarHBondContact O-N 3.37Å; F205-F323 AromaticContact CD1-CD1 3.52Å; F205-F323 HydrophobicContact CD1-CD1 3.52Å; F205-F323 HydrophobicContact CD1-CD2 4.04Å; F205-F323 AromaticContact CD1-CE1 3.66Å; F205-F323 HydrophobicContact CD1-CE1 3.66Å; F205-F323 HydrophobicContact CD1-CE2 4.16Å; F205-F323 AromaticContact CD1-CG 3.74Å; F205-F323 HydrophobicContact CD1-CG 3.74Å; F205-F323 AromaticContact CD1-CZ 4Å; F205-F323 HydrophobicContact CD1-CZ 4Å; F205-F323 AromaticContact CE1-CD1 3.7Å; F205-F323 HydrophobicContact CE1-CD1 3.7Å; F205-F323 HydrophobicContact CE1-CD2 4.05Å; F205-F323 AromaticContact CE1-CE1 3.3Å; F205-F323 HydrophobicContact CE1-CE1 3.3Å; F205-F323 AromaticContact CE1-CE2 3.68Å; F205-F323 HydrophobicContact CE1-CE2 3.68Å; F205-F323 HydrophobicContact CE1-CG 4.07Å; F205-F323 AromaticContact CE1-CZ 3.31Å; F205-F323 HydrophobicContact CE1-CZ 3.31Å; F205-F323 HydrophobicContact CG-CD1 4.37Å; F205-F323 AromaticContact CZ-CE1 3.99Å; F205-F323 HydrophobicContact CZ-CE1 3.99Å; F205-F323 HydrophobicContact CZ-CZ 4.08Å; F205-L399 HydrophobicContact CB-CD1 4.18Å; F205-C418 HydrophobicContact CD2-CB 4.15Å; F205-T421 HydrophobicContact CD1-CG2 4.37Å; F205-T421 HydrophobicContact CD2-CG2 3.83Å; F205-T421 HydrophobicContact CE1-CG2 4.05Å; F205-T421 HydrophobicContact CE2-CG2 3.44Å; F205-T421 VanDerWaalsContact CE2-CG2 3.44Å; F205-T421 HydrophobicContact CG-CG2 4.27Å; F205-T421 HydrophobicContact CZ-CG2 3.57Å; F205-V425 HydrophobicContact CE1-CG2 4.19Å; F205-V425 HydrophobicContact CZ-CG2 3.74Å
206	C	98.9	Very high	98.1	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-56.7	-40.1	176.8	-93.1	0	0	0	0	112.2	C193 G202 P203 V210 I234 P236	C193-C206 HydrophobicContact CB-CB 3.85Å; C193-C206 WeakPolarHBondContact CB-SG 3.42Å; C193-C206 WeakPolarHBondContact SG-CB 3.36Å; C193-C206 CovalentContact SG-SG 2.03Å; C193-C206 PolarHBondContact SG-SG 3.27Å; G202-C206 PolarHBondContact O-N 2.98Å; P203-C206 PolarHBondContact O-N 3.35Å; C206-V210 WeakPolarHBondContact O-CG2 3.4Å; C206-V210 PolarHBondContact O-N 3.01Å; C206-I234 HydrophobicContact CB-CG2 4.12Å; C206-P236 HydrophobicContact CB-CB 4.04Å
207	Q	98.8	Very high	97.9	Very high	4 Å²	4	14.7 Å²	14.7	2%	0.019	7%	0.073	C	C	.	.	H	α-helix	trans	-67.5	-42.5	175.2	-65.2	163.5	68.3	0	0	111.7	Y134 Y136 W148 P203 A204 F205 F209 V210 K211	Y134-Q207 PolarHBondContact OH-OE1 2.88Å; Y136-Q207 HydrophobicContact CD1-CB 4.11Å; Y136-Q207 HydrophobicContact CE1-CB 4.25Å; W148-Q207 HydrophobicContact CE3-CG 4.15Å; W148-Q207 HydrophobicContact CH2-CB 4.09Å; W148-Q207 HydrophobicContact CH2-CG 3.94Å; W148-Q207 HydrophobicContact CZ2-CB 4.18Å; W148-Q207 HydrophobicContact CZ2-CG 4.36Å; W148-Q207 HydrophobicContact CZ3-CB 4.47Å; W148-Q207 HydrophobicContact CZ3-CG 3.82Å; P203-Q207 WeakPolarHBondContact O-CG 3.45Å; P203-Q207 PolarHBondContact O-N 2.84Å; P203-Q207 PolarHBondContact O-NE2 3.47Å; A204-Q207 PolarHBondContact O-N 3.14Å; F205-Q207 PolarHBondContact O-N 2.82Å; Q207-F209 PolarHBondContact O-N 3.37Å; Q207-V210 PolarHBondContact O-N 3.24Å; Q207-K211 PolarHBondContact O-N 3.48Å
208	W	98.7	Very high	97.7	Very high	7 Å²	7	21.9 Å²	21.9	3%	0.027	10%	0.104	C	C	.	.	H	α-helix	trans	-60.6	-42.3	176.4	-169.2	-82	0	0	0	112.5	E137 A204 F205 V210 K211 E212 K415 C418	E137-W208 HydrophobicContact CG-CH2 4.4Å; E137-W208 HydrophobicContact CG-CZ3 3.88Å; A204-W208 PolarHBondContact O-N 3.03Å; F205-W208 CarbonylContact O-C 3.47Å; F205-W208 WeakPolarHBondContact O-CB 3.31Å; F205-W208 PolarHBondContact O-N 3.47Å; F205-W208 VanDerWaalsContact O-N 3.07Å; W208-V210 VanDerWaalsContact C-N 3.31Å; W208-V210 PolarHBondContact O-N 3.26Å; W208-K211 WeakPolarHBondContact O-CB 3.46Å; W208-K211 PolarHBondContact O-N 2.98Å; W208-E212 VanDerWaalsContact CD1-CG 3.49Å; W208-E212 HydrophobicContact CG-CG 4.45Å; W208-E212 VanDerWaalsContact NE1-CG 3.31Å; W208-E212 WeakPolarHBondContact O-CG 3.33Å; W208-E212 PolarHBondContact O-N 3.45Å; W208-K415 HydrophobicContact CH2-CB 3.69Å; W208-K415 HydrophobicContact CH2-CD 4.09Å; W208-K415 HydrophobicContact CH2-CG 3.56Å; W208-K415 HydrophobicContact CZ2-CB 4.46Å; W208-K415 HydrophobicContact CZ2-CG 4.06Å; W208-K415 HydrophobicContact CZ3-CB 4Å; W208-K415 HydrophobicContact CZ3-CG 4.37Å; W208-C418 HydrophobicContact CB-CB 3.75Å; W208-C418 VanDerWaalsContact CD1-CB 3.5Å; W208-C418 HydrophobicContact CD2-CB 3.5Å; W208-C418 HydrophobicContact CE3-CB 4.13Å; W208-C418 HydrophobicContact CG-CB 3.29Å
209	F	98.7	Very high	97.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-57.5	-45.1	176.3	179.3	-86.5	0	0	0	111.4	L179 I191 F205 Q207 E212 A213 F232 I234 M422 V425	L179-F209 HydrophobicContact CD2-CE1 4.12Å; I191-F209 HydrophobicContact CD1-CD1 4.32Å; I191-F209 HydrophobicContact CD1-CD2 4.41Å; I191-F209 HydrophobicContact CD1-CE1 4.13Å; I191-F209 HydrophobicContact CD1-CE2 4.25Å; I191-F209 HydrophobicContact CD1-CG 4.47Å; I191-F209 HydrophobicContact CD1-CZ 4.11Å; F205-F209 HydrophobicContact CZ-CB 4.38Å; F205-F209 HydrophobicContact CZ-CD2 4.45Å; F205-F209 PolarHBondContact O-N 3.37Å; Q207-F209 PolarHBondContact O-N 3.37Å; F209-E212 PolarHBondContact O-N 3.23Å; F209-A213 WeakPolarHBondContact O-CB 3.24Å; F209-A213 PolarHBondContact O-N 2.72Å; F209-F232 HydrophobicContact CE1-CB 4.26Å; F209-F232 AromaticContact CE1-CD1 3.84Å; F209-F232 HydrophobicContact CE1-CD1 3.84Å; F209-F232 HydrophobicContact CE1-CE1 4.3Å; F209-F232 AromaticContact CE1-CG 3.99Å; F209-F232 HydrophobicContact CE1-CG 3.99Å; F209-F232 HydrophobicContact CE2-CE1 4.33Å; F209-F232 AromaticContact CZ-CD1 3.53Å; F209-F232 HydrophobicContact CZ-CD1 3.53Å; F209-F232 HydrophobicContact CZ-CD2 4.46Å; F209-F232 AromaticContact CZ-CE1 3.53Å; F209-F232 HydrophobicContact CZ-CE1 3.53Å; F209-F232 HydrophobicContact CZ-CE2 4.48Å; F209-F232 HydrophobicContact CZ-CG 4.01Å; F209-F232 HydrophobicContact CZ-CZ 4.04Å; F209-I234 HydrophobicContact CD1-CD1 3.56Å; F209-I234 HydrophobicContact CD1-CG1 4.45Å; F209-I234 HydrophobicContact CE1-CD1 3.75Å; F209-M422 HydrophobicContact CB-SD 4.46Å; F209-M422 HydrophobicContact CD2-CE 3.74Å; F209-M422 HydrophobicContact CD2-SD 3.49Å; F209-M422 WeakPolarHBondContact CD2-SD 3.38Å; F209-M422 HydrophobicContact CE2-CE 3.86Å; F209-M422 HydrophobicContact CE2-SD 4.07Å; F209-M422 HydrophobicContact CG-CE 4.49Å; F209-M422 HydrophobicContact CG-SD 4.32Å; F209-V425 HydrophobicContact CD2-CG1 4.08Å; F209-V425 HydrophobicContact CE2-CG1 3.62Å
210	V	98.5	Very high	97.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.5	-44.5	177.8	175.9	0	0	0	0	111.2	W148 L152 I160 L177 C206 Q207 W208 A213 L214 I234	W148-V210 HydrophobicContact CH2-CB 3.82Å; W148-V210 HydrophobicContact CH2-CG1 3.99Å; W148-V210 HydrophobicContact CH2-CG2 3.95Å; W148-V210 HydrophobicContact CZ2-CB 3.81Å; W148-V210 HydrophobicContact CZ2-CG1 3.77Å; W148-V210 HydrophobicContact CZ2-CG2 4.44Å; L152-V210 HydrophobicContact CD1-CG1 3.54Å; I160-V210 HydrophobicContact CD1-CG1 3.87Å; L177-V210 HydrophobicContact CD1-CG1 4.31Å; L177-V210 HydrophobicContact CD1-CG2 3.97Å; C206-V210 WeakPolarHBondContact O-CG2 3.4Å; C206-V210 PolarHBondContact O-N 3.01Å; Q207-V210 PolarHBondContact O-N 3.24Å; W208-V210 VanDerWaalsContact C-N 3.31Å; W208-V210 PolarHBondContact O-N 3.26Å; V210-A213 PolarHBondContact O-N 3.33Å; V210-L214 HydrophobicContact CG1-CD1 4.1Å; V210-L214 WeakPolarHBondContact O-CG 3.46Å; V210-L214 PolarHBondContact O-N 2.78Å; V210-I234 HydrophobicContact CG2-CD1 3.5Å; V210-I234 VanDerWaalsContact CG2-CD1 3.5Å; V210-I234 HydrophobicContact CG2-CG2 4.36Å
211	K	97.1	Very high	97.3	Very high	35 Å²	35	31.1 Å²	31.1	15%	0.152	17%	0.167	C	C	.	.	H	α-helix	trans	-54.4	-55.3	173.9	179.3	-151.8	-176.2	-177.3	0	111.2	Y136 Q207 W208 A213 L214 L215	Y136-K211 HydrophobicContact CD1-CB 3.87Å; Y136-K211 HydrophobicContact CD1-CD 4.13Å; Y136-K211 HydrophobicContact CD1-CG 4.28Å; Y136-K211 HydrophobicContact CD2-CB 4.23Å; Y136-K211 HydrophobicContact CD2-CD 3.48Å; Y136-K211 VanDerWaalsContact CD2-CD 3.48Å; Y136-K211 HydrophobicContact CD2-CG 3.74Å; Y136-K211 HydrophobicContact CE1-CB 3.6Å; Y136-K211 HydrophobicContact CE1-CG 4.17Å; Y136-K211 HydrophobicContact CE2-CB 3.98Å; Y136-K211 HydrophobicContact CE2-CD 3.92Å; Y136-K211 HydrophobicContact CE2-CG 3.6Å; Y136-K211 HydrophobicContact CG-CB 4.17Å; Y136-K211 HydrophobicContact CG-CD 3.58Å; Y136-K211 HydrophobicContact CG-CG 4.06Å; Q207-K211 PolarHBondContact O-N 3.48Å; W208-K211 WeakPolarHBondContact O-CB 3.46Å; W208-K211 PolarHBondContact O-N 2.98Å; K211-A213 VanDerWaalsContact C-N 3.29Å; K211-A213 PolarHBondContact O-N 3.32Å; K211-L214 PolarHBondContact O-N 3.28Å; K211-L214 VanDerWaalsContact O-N 3.13Å; K211-L215 HydrophobicContact CD-CD1 4.26Å; K211-L215 HydrophobicContact CG-CD1 3.8Å; K211-L215 HydrophobicContact CG-CG 4.37Å; K211-L215 WeakPolarHBondContact O-CG 3.13Å; K211-L215 PolarHBondContact O-N 3.08Å
212	E	97.5	Very high	97.1	Very high	42 Å²	42	32.3 Å²	32.3	20%	0.196	18%	0.178	C	C	.	.	H	α-helix	trans	-61.2	-40.7	-177.2	-74.9	-61.7	111.8	0	0	111.5	W208 F209 L214 L215 T216 M422	W208-E212 VanDerWaalsContact CD1-CG 3.49Å; W208-E212 HydrophobicContact CG-CG 4.45Å; W208-E212 VanDerWaalsContact NE1-CG 3.31Å; W208-E212 WeakPolarHBondContact O-CG 3.33Å; W208-E212 PolarHBondContact O-N 3.45Å; F209-E212 PolarHBondContact O-N 3.23Å; E212-L214 PolarHBondContact O-N 3.07Å; E212-L215 PolarHBondContact O-N 3.3Å; E212-T216 WeakPolarHBondContact O-CB 3.22Å; E212-T216 WeakPolarHBondContact O-CG2 3.43Å; E212-T216 PolarHBondContact O-N 3.1Å; E212-T216 PolarHBondContact O-OG1 3.4Å; E212-M422 HydrophobicContact CB-CE 3.62Å; E212-M422 HydrophobicContact CB-SD 4.24Å; E212-M422 HydrophobicContact CG-CE 4.47Å
213	A	97.3	Very high	97	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62	-44.1	175.5	0	0	0	0	0	112.1	L179 F209 V210 K211 H217 M223 L227	L179-A213 HydrophobicContact CD2-CB 3.57Å; F209-A213 WeakPolarHBondContact O-CB 3.24Å; F209-A213 PolarHBondContact O-N 2.72Å; V210-A213 PolarHBondContact O-N 3.33Å; K211-A213 VanDerWaalsContact C-N 3.29Å; K211-A213 PolarHBondContact O-N 3.32Å; A213-H217 WeakPolarHBondContact O-CB 3.43Å; A213-H217 PolarHBondContact O-N 3.46Å; A213-H217 VanDerWaalsContact O-N 3.07Å; A213-M223 HydrophobicContact CB-CE 3.94Å; A213-M223 HydrophobicContact CB-SD 3.68Å; A213-L227 HydrophobicContact CB-CD1 4.3Å
214	L	96.1	Very high	96.8	Very high	21 Å²	21	37 Å²	37	11%	0.11	20%	0.195	C	C	.	.	H	α-helix	trans	-64.2	-44.4	176.6	-73	171.4	0	0	0	112.5	L152 H156 L159 I160 V210 K211 E212 H217	L152-L214 HydrophobicContact CD1-CD1 3.99Å; L152-L214 HydrophobicContact CD2-CD1 3.76Å; L152-L214 HydrophobicContact CG-CD1 4.48Å; H156-L214 HydrophobicContact CB-CD2 4.05Å; L159-L214 HydrophobicContact CD2-CD2 3.85Å; I160-L214 HydrophobicContact CD1-CD1 3.76Å; I160-L214 HydrophobicContact CD1-CD2 3.78Å; I160-L214 HydrophobicContact CD1-CG 4.01Å; I160-L214 HydrophobicContact CG1-CD2 4.39Å; V210-L214 HydrophobicContact CG1-CD1 4.1Å; V210-L214 WeakPolarHBondContact O-CG 3.46Å; V210-L214 PolarHBondContact O-N 2.78Å; K211-L214 PolarHBondContact O-N 3.28Å; K211-L214 VanDerWaalsContact O-N 3.13Å; E212-L214 PolarHBondContact O-N 3.07Å; L214-H217 PolarHBondContact O-CE1 3.35Å; L214-H217 VanDerWaalsContact O-CE1 3.28Å; L214-H217 PolarHBondContact O-ND1 2.83Å
215	L	95.3	Very high	96.6	Very high	111 Å²	111	41.5 Å²	41.5	58%	0.581	21%	0.214	S	C	*	.	H	α-helix	trans	-71.3	-37	-177.6	-66.9	179.3	0	0	0	112.6	K211 E212	K211-L215 HydrophobicContact CD-CD1 4.26Å; K211-L215 HydrophobicContact CG-CD1 3.8Å; K211-L215 HydrophobicContact CG-CG 4.37Å; K211-L215 WeakPolarHBondContact O-CG 3.13Å; K211-L215 PolarHBondContact O-N 3.08Å; E212-L215 PolarHBondContact O-N 3.3Å
216	T	96.3	Very high	96.4	Very high	22 Å²	22	41.5 Å²	41.5	14%	0.135	21%	0.214	C	C	.	.	H	α-helix	trans	-107.2	-6.6	-167.2	68.9	0	0	0	0	114.6	E212 K218 S219 D220 M223	E212-T216 WeakPolarHBondContact O-CB 3.22Å; E212-T216 WeakPolarHBondContact O-CG2 3.43Å; E212-T216 PolarHBondContact O-N 3.1Å; E212-T216 PolarHBondContact O-OG1 3.4Å; T216-K218 PolarHBondContact O-N 2.87Å; T216-S219 PolarHBondContact O-N 3.38Å; T216-S219 PolarHBondContact O-OG 3.49Å; T216-D220 PolarHBondContact O-N 3.48Å; T216-M223 WeakPolarHBondContact OG1-CG 3.36Å
217	H	94.4	Very high	96.2	Very high	35 Å²	35	41.6 Å²	41.6	16%	0.162	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-21.7	-178.1	72.8	-73.2	0	0	0	115.3	A213 L214 M223 R224 L227	A213-H217 WeakPolarHBondContact O-CB 3.43Å; A213-H217 PolarHBondContact O-N 3.46Å; A213-H217 VanDerWaalsContact O-N 3.07Å; L214-H217 PolarHBondContact O-CE1 3.35Å; L214-H217 VanDerWaalsContact O-CE1 3.28Å; L214-H217 PolarHBondContact O-ND1 2.83Å; H217-M223 HydrophobicContact CB-CG 4.3Å; H217-R224 VanDerWaalsContact O-CB 3.26Å; H217-R224 WeakPolarHBondContact O-CB 3.26Å; H217-R224 VanDerWaalsContact O-CG 3.29Å; H217-R224 WeakPolarHBondContact O-CG 3.29Å; H217-L227 HydrophobicContact CB-CD1 3.46Å; H217-L227 VanDerWaalsContact CB-CD1 3.46Å
218	K	93.8	Very high	96	Very high	151 Å²	151	44.2 Å²	44.2	66%	0.657	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-29.9	174.8	-66	-177	-177.8	177.6	0	113.2	T216 R224	T216-K218 PolarHBondContact O-N 2.87Å; K218-R224 VanDerWaalsContact O-CZ 3.25Å; K218-R224 PolarHBondContact O-NH2 2.75Å
219	S	96.4	Very high	95.8	Very high	85 Å²	85	48.6 Å²	48.6	59%	0.594	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-42.5	-174.3	49.8	0	0	0	0	113.1	T216 P221	T216-S219 PolarHBondContact O-N 3.38Å; T216-S219 PolarHBondContact O-OG 3.49Å; S219-P221 WeakPolarHBondContact O-CD 3.29Å
220	D	96.4	Very high	95.6	Very high	35 Å²	35	48.6 Å²	48.6	19%	0.187	25%	0.249	C	C	.	.			trans	-84.7	114.9	-179.5	175.8	-0.3	0	0	0	111.1	T216 A222 M223 R224 K426	T216-D220 PolarHBondContact O-N 3.48Å; D220-A222 VanDerWaalsContact C-N 3.28Å; D220-A222 PolarHBondContact O-N 3.03Å; D220-A222 WeakPolarHBondContact OD1-CB 3.42Å; D220-A222 PolarHBondContact OD1-N 3.33Å; D220-M223 HydrophobicContact CB-CB 3.93Å; D220-M223 PolarHBondContact O-N 3.44Å; D220-M223 PolarHBondContact OD1-N 3.32Å; D220-R224 WeakPolarHBondContact O-CB 3.44Å; D220-R224 PolarHBondContact O-N 3.11Å; D220-K426 WeakPolarHBondContact OD2-CE 3.4Å; D220-K426 IonicContact OD2-NZ 3.66Å; D220-K426 PolarHBondContact OD2-NZ 3.18Å
221	P	95.4	Very high	95.6	Very high	94 Å²	94	49.9 Å²	49.9	61%	0.61	25%	0.254	S	S	*	.	H	α-helix	trans	-60.1	-34.1	178.3	-23	34.7	0	0	0	113.7	S219 K225	S219-P221 WeakPolarHBondContact O-CD 3.29Å; P221-K225 VanDerWaalsContact O-CB 3.25Å; P221-K225 WeakPolarHBondContact O-CB 3.44Å; P221-K225 PolarHBondContact O-N 2.93Å
222	A	94.3	Very high	95.6	Very high	31 Å²	31	48.2 Å²	48.2	26%	0.256	25%	0.247	S	C	.	.	H	α-helix	trans	-68.6	-49.4	178.5	0	0	0	0	0	110.4	D220 R224 K225 M226	D220-A222 VanDerWaalsContact C-N 3.28Å; D220-A222 PolarHBondContact O-N 3.03Å; D220-A222 WeakPolarHBondContact OD1-CB 3.42Å; D220-A222 PolarHBondContact OD1-N 3.33Å; A222-R224 VanDerWaalsContact C-N 3.34Å; A222-R224 PolarHBondContact O-N 2.91Å; A222-K225 PolarHBondContact O-N 3.38Å; A222-M226 WeakPolarHBondContact O-CG 3.37Å; A222-M226 PolarHBondContact O-N 3.15Å
223	M	96.1	Very high	95.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-58.2	-46	174.6	-177.2	54.9	69.8	0	0	112.1	A213 T216 H217 D220 K225 M226 L227 M422	A213-M223 HydrophobicContact CB-CE 3.94Å; A213-M223 HydrophobicContact CB-SD 3.68Å; T216-M223 WeakPolarHBondContact OG1-CG 3.36Å; H217-M223 HydrophobicContact CB-CG 4.3Å; D220-M223 HydrophobicContact CB-CB 3.93Å; D220-M223 PolarHBondContact O-N 3.44Å; D220-M223 PolarHBondContact OD1-N 3.32Å; M223-K225 VanDerWaalsContact C-N 3.33Å; M223-K225 PolarHBondContact O-N 2.03Å; M223-M226 HydrophobicContact CB-CE 4.27Å; M223-M226 HydrophobicContact CE-CE 3.46Å; M223-M226 VanDerWaalsContact CE-CE 3.46Å; M223-M226 PolarHBondContact O-N 3.38Å; M223-M226 HydrophobicContact SD-CE 3.54Å; M223-M226 VanDerWaalsContact SD-CE 3.54Å; M223-L227 HydrophobicContact CG-CD1 4.03Å; M223-L227 HydrophobicContact CG-CG 4.46Å; M223-L227 WeakPolarHBondContact O-CG 3.44Å; M223-L227 PolarHBondContact O-N 2.71Å; M223-L227 HydrophobicContact SD-CD1 3.84Å; M223-L227 HydrophobicContact SD-CD2 4.42Å; M223-L227 HydrophobicContact SD-CG 3.85Å; M223-M422 HydrophobicContact CE-CE 3.11Å
224	R	95.3	Very high	95.8	Very high	99 Å²	99	47.2 Å²	47.2	37%	0.374	24%	0.242	S	C	.	.	H	α-helix	trans	-57.2	-46.6	176.1	-165.5	-175.7	-47	170.1	15.8	111.5	H217 K218 D220 A222 L227 N228	H217-R224 VanDerWaalsContact O-CB 3.26Å; H217-R224 WeakPolarHBondContact O-CB 3.26Å; H217-R224 VanDerWaalsContact O-CG 3.29Å; H217-R224 WeakPolarHBondContact O-CG 3.29Å; K218-R224 VanDerWaalsContact O-CZ 3.25Å; K218-R224 PolarHBondContact O-NH2 2.75Å; D220-R224 WeakPolarHBondContact O-CB 3.44Å; D220-R224 PolarHBondContact O-N 3.11Å; A222-R224 VanDerWaalsContact C-N 3.34Å; A222-R224 PolarHBondContact O-N 2.91Å; R224-L227 PolarHBondContact O-N 3.28Å; R224-N228 VanDerWaalsContact O-CB 3.27Å; R224-N228 WeakPolarHBondContact O-CB 3.15Å; R224-N228 PolarHBondContact O-N 3.36Å; R224-N228 PolarHBondContact O-ND2 2.89Å
225	K	94.4	Very high	95.9	Very high	100 Å²	100	46.2 Å²	46.2	44%	0.435	24%	0.236	S	C	.	.	H	α-helix	trans	-63.5	-44.4	179	-178.2	165.2	171.9	176.9	0	111.8	P221 A222 M223 N228 H229 M430 L433	P221-K225 VanDerWaalsContact O-CB 3.25Å; P221-K225 WeakPolarHBondContact O-CB 3.44Å; P221-K225 PolarHBondContact O-N 2.93Å; A222-K225 PolarHBondContact O-N 3.38Å; M223-K225 VanDerWaalsContact C-N 3.33Å; M223-K225 PolarHBondContact O-N 2.03Å; K225-N228 PolarHBondContact O-N 3.37Å; K225-H229 PolarHBondContact O-N 3.33Å; K225-H229 VanDerWaalsContact O-N 3.15Å; K225-H229 PolarHBondContact O-ND1 3.11Å; K225-M430 HydrophobicContact CD-CE 4Å; K225-M430 HydrophobicContact CD-SD 4.45Å; K225-M430 HydrophobicContact CG-SD 4.46Å; K225-L433 HydrophobicContact CG-CD1 4.13Å
226	M	95.1	Very high	96.1	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-57.2	-54.3	175	-70.6	-171.9	-58.7	0	0	111.1	A222 M223 N228 H229 L230 F232 K426 T429 M430	A222-M226 WeakPolarHBondContact O-CG 3.37Å; A222-M226 PolarHBondContact O-N 3.15Å; M223-M226 HydrophobicContact CB-CE 4.27Å; M223-M226 HydrophobicContact CE-CE 3.46Å; M223-M226 VanDerWaalsContact CE-CE 3.46Å; M223-M226 PolarHBondContact O-N 3.38Å; M223-M226 HydrophobicContact SD-CE 3.54Å; M223-M226 VanDerWaalsContact SD-CE 3.54Å; M226-N228 PolarHBondContact O-N 2.89Å; M226-H229 PolarHBondContact O-N 2.99Å; M226-H229 VanDerWaalsContact O-N 3.12Å; M226-L230 WeakPolarHBondContact O-CA 3.35Å; M226-L230 VanDerWaalsContact O-CB 3.31Å; M226-L230 WeakPolarHBondContact O-CB 3.25Å; M226-L230 PolarHBondContact O-N 2.89Å; M226-F232 HydrophobicContact CB-CE2 4.03Å; M226-F232 HydrophobicContact CB-CZ 4.03Å; M226-F232 HydrophobicContact SD-CZ 4.15Å; M226-K426 HydrophobicContact CE-CG 3.71Å; M226-K426 HydrophobicContact SD-CG 4.26Å; M226-T429 PolarHBondContact SD-OG1 3.06Å; M226-M430 HydrophobicContact CG-CG 4.32Å; M226-M430 HydrophobicContact CG-SD 3.96Å
227	L	95.2	Very high	96.2	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-69.3	-19.3	-178	-64.3	177	0	0	0	113.9	L159 L179 R181 K186 A213 H217 M223 R224 F232	L159-L227 HydrophobicContact CD2-CD1 4.3Å; L179-L227 HydrophobicContact CD2-CD2 3.9Å; L179-L227 HydrophobicContact CG-CD2 3.83Å; R181-L227 PolarHBondContact N-O 3.2Å; R181-L227 VanDerWaalsContact N-O 3.15Å; K186-L227 PolarHBondContact NZ-O 3.35Å; A213-L227 HydrophobicContact CB-CD1 4.3Å; H217-L227 HydrophobicContact CB-CD1 3.46Å; H217-L227 VanDerWaalsContact CB-CD1 3.46Å; M223-L227 HydrophobicContact CG-CD1 4.03Å; M223-L227 HydrophobicContact CG-CG 4.46Å; M223-L227 WeakPolarHBondContact O-CG 3.44Å; M223-L227 PolarHBondContact O-N 2.71Å; M223-L227 HydrophobicContact SD-CD1 3.84Å; M223-L227 HydrophobicContact SD-CD2 4.42Å; M223-L227 HydrophobicContact SD-CG 3.85Å; R224-L227 PolarHBondContact O-N 3.28Å; L227-F232 HydrophobicContact CD2-CD2 3.87Å; L227-F232 HydrophobicContact CD2-CE2 4Å
228	N	93.5	Very high	96.4	Very high	58 Å²	58	38.7 Å²	38.7	31%	0.31	20%	0.197	S	C	.	.	H	α-helix	trans	-78.2	-29.3	172.5	-77.6	-12.5	0	0	0	113	R181 K186 R224 K225 M226	R181-N228 WeakPolarHBondContact CD-OD1 3.28Å; R181-N228 PolarHBondContact NH1-OD1 2.98Å; R181-N228 VanDerWaalsContact NH1-OD1 3.09Å; K186-N228 WeakPolarHBondContact CE-O 3.32Å; K186-N228 VanDerWaalsContact NZ-C 3.34Å; K186-N228 PolarHBondContact NZ-O 2.96Å; R224-N228 VanDerWaalsContact O-CB 3.27Å; R224-N228 WeakPolarHBondContact O-CB 3.15Å; R224-N228 PolarHBondContact O-N 3.36Å; R224-N228 PolarHBondContact O-ND2 2.89Å; K225-N228 PolarHBondContact O-N 3.37Å; M226-N228 PolarHBondContact O-N 2.89Å
229	H	93.9	Very high	96.7	Very high	99 Å²	99	31.5 Å²	31.5	46%	0.458	17%	0.166	S	C	.	.	H	α-helix	trans	-113.8	-18.2	-173.5	-63.2	85.7	0	0	0	114.4	K186 K225 M226 L433	K186-H229 WeakPolarHBondContact CB-O 3.45Å; K225-H229 PolarHBondContact O-N 3.33Å; K225-H229 VanDerWaalsContact O-N 3.15Å; K225-H229 PolarHBondContact O-ND1 3.11Å; M226-H229 PolarHBondContact O-N 2.99Å; M226-H229 VanDerWaalsContact O-N 3.12Å; H229-L433 HydrophobicContact CB-CD1 4.33Å; H229-L433 HydrophobicContact CB-CD2 3.74Å
230	L	96	Very high	96.8	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	146.6	-177.6	-56.4	173.9	0	0	0	110.7	R187 V189 M226 F232 L433	R187-L230 HydrophobicContact CB-CD2 3.78Å; R187-L230 CarbonylContact O-C 3.57Å; R187-L230 VanDerWaalsContact O-CA 3.29Å; R187-L230 WeakPolarHBondContact O-CA 3.31Å; V189-L230 HydrophobicContact CG2-CD1 4.07Å; M226-L230 WeakPolarHBondContact O-CA 3.35Å; M226-L230 VanDerWaalsContact O-CB 3.31Å; M226-L230 WeakPolarHBondContact O-CB 3.25Å; M226-L230 PolarHBondContact O-N 2.89Å; L230-F232 HydrophobicContact CB-CD2 4.46Å; L230-F232 HydrophobicContact CB-CE2 3.93Å; L230-F232 HydrophobicContact CB-CZ 4.33Å; L230-F232 HydrophobicContact CD1-CE2 4.46Å; L230-F232 HydrophobicContact CD1-CZ 4.08Å; L230-L433 HydrophobicContact CD1-CD2 4.35Å; L230-L433 HydrophobicContact CD1-CG 4.48Å; L230-L433 HydrophobicContact CD2-CD2 3.85Å; L230-L433 HydrophobicContact CG-CD2 4.01Å
231	Y	97.3	Very high	96.9	Very high	27 Å²	27	25.9 Å²	25.9	11%	0.106	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	143.1	153.3	-71.3	-60.8	0	0	0	109.5	K178 L179 R181 S183 K186 R187 A188 V189	K178-Y231 HydrophobicContact CD-CD1 4.48Å; K178-Y231 VanDerWaalsContact CE-CD1 3.48Å; K178-Y231 HydrophobicContact CG-CD1 4.22Å; L179-Y231 CarbonylContact O-C 3.57Å; L179-Y231 WeakPolarHBondContact O-CA 3.44Å; R181-Y231 WeakPolarHBondContact O-CE1 3.47Å; S183-Y231 PolarHBondContact N-OH 3.01Å; S183-Y231 PolarHBondContact O-OH 2.92Å; K186-Y231 HydrophobicContact CB-CD2 3.62Å; K186-Y231 HydrophobicContact CB-CE2 3.7Å; K186-Y231 HydrophobicContact CB-CG 4.37Å; K186-Y231 HydrophobicContact CD-CD1 4.31Å; K186-Y231 HydrophobicContact CD-CD2 4.13Å; K186-Y231 HydrophobicContact CD-CE1 4.12Å; K186-Y231 HydrophobicContact CD-CE2 3.93Å; K186-Y231 HydrophobicContact CD-CG 4.31Å; K186-Y231 HydrophobicContact CG-CD2 4.36Å; K186-Y231 HydrophobicContact CG-CE2 4.08Å; R187-Y231 PolarHBondContact O-N 3.06Å; A188-Y231 CarbonylContact C-O 3.5Å; A188-Y231 WeakPolarHBondContact CA-O 3.2Å; V189-Y231 PolarHBondContact N-O 2.89Å
232	F	98.4	Very high	97	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	119.1	168.7	-65.7	-96.6	0	0	0	108.1	L177 K178 L179 V189 I191 F209 M226 L227 L230 I234 T429	L177-F232 VanDerWaalsContact O-O 3.14Å; K178-F232 CarbonylContact C-O 3.6Å; K178-F232 WeakPolarHBondContact CA-O 3.25Å; L179-F232 HydrophobicContact CB-CB 4.25Å; L179-F232 PolarHBondContact N-O 3.39Å; L179-F232 PolarHBondContact O-N 2.97Å; V189-F232 HydrophobicContact CB-CD1 3.83Å; V189-F232 HydrophobicContact CB-CE1 4.02Å; V189-F232 HydrophobicContact CG1-CD1 4.16Å; V189-F232 HydrophobicContact CG1-CE1 4.27Å; V189-F232 HydrophobicContact CG2-CD1 4.46Å; V189-F232 HydrophobicContact CG2-CE1 4.19Å; V189-F232 CarbonylContact O-C 3.42Å; V189-F232 WeakPolarHBondContact O-CA 3.25Å; I191-F232 HydrophobicContact CD1-CD1 3.89Å; I191-F232 HydrophobicContact CD1-CE1 4.47Å; F209-F232 HydrophobicContact CE1-CB 4.26Å; F209-F232 AromaticContact CE1-CD1 3.84Å; F209-F232 HydrophobicContact CE1-CD1 3.84Å; F209-F232 HydrophobicContact CE1-CE1 4.3Å; F209-F232 AromaticContact CE1-CG 3.99Å; F209-F232 HydrophobicContact CE1-CG 3.99Å; F209-F232 HydrophobicContact CE2-CE1 4.33Å; F209-F232 AromaticContact CZ-CD1 3.53Å; F209-F232 HydrophobicContact CZ-CD1 3.53Å; F209-F232 HydrophobicContact CZ-CD2 4.46Å; F209-F232 AromaticContact CZ-CE1 3.53Å; F209-F232 HydrophobicContact CZ-CE1 3.53Å; F209-F232 HydrophobicContact CZ-CE2 4.48Å; F209-F232 HydrophobicContact CZ-CG 4.01Å; F209-F232 HydrophobicContact CZ-CZ 4.04Å; M226-F232 HydrophobicContact CB-CE2 4.03Å; M226-F232 HydrophobicContact CB-CZ 4.03Å; M226-F232 HydrophobicContact SD-CZ 4.15Å; L227-F232 HydrophobicContact CD2-CD2 3.87Å; L227-F232 HydrophobicContact CD2-CE2 4Å; L230-F232 HydrophobicContact CB-CD2 4.46Å; L230-F232 HydrophobicContact CB-CE2 3.93Å; L230-F232 HydrophobicContact CB-CZ 4.33Å; L230-F232 HydrophobicContact CD1-CE2 4.46Å; L230-F232 HydrophobicContact CD1-CZ 4.08Å; F232-I234 HydrophobicContact CB-CD1 4.08Å; F232-I234 HydrophobicContact CB-CG1 4.07Å; F232-T429 HydrophobicContact CE1-CG2 3.75Å; F232-T429 HydrophobicContact CZ-CG2 4.15Å
233	Y	98.8	Very high	97.3	Very high	21 Å²	21	20 Å²	20	8%	0.082	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	112.3	168.3	-67.3	-77	0	0	0	107.5	F163 I176 L177 K178 A188 V189 W190 I191 F309	F163-Y233 HydrophobicContact CE1-CE1 4.49Å; F163-Y233 HydrophobicContact CZ-CD1 4.3Å; F163-Y233 HydrophobicContact CZ-CE1 4.08Å; I176-Y233 HydrophobicContact CD1-CD1 4.03Å; L177-Y233 CarbonylContact O-C 3.56Å; L177-Y233 WeakPolarHBondContact O-CA 3.34Å; K178-Y233 HydrophobicContact CB-CD1 3.92Å; K178-Y233 HydrophobicContact CB-CE1 3.8Å; K178-Y233 HydrophobicContact CD-CE1 3.77Å; K178-Y233 HydrophobicContact CG-CD1 4.07Å; K178-Y233 HydrophobicContact CG-CE1 3.61Å; A188-Y233 HydrophobicContact CB-CD2 3.86Å; A188-Y233 HydrophobicContact CB-CE2 3.63Å; V189-Y233 PolarHBondContact O-N 2.92Å; W190-Y233 WeakPolarHBondContact CA-O 3.24Å; I191-Y233 PolarHBondContact N-O 2.97Å; Y233-F309 HydrophobicContact CD1-CE1 4.19Å; Y233-F309 AromaticContact CD1-CZ 3.66Å; Y233-F309 HydrophobicContact CD1-CZ 3.66Å; Y233-F309 HydrophobicContact CD2-CE1 4.3Å; Y233-F309 HydrophobicContact CD2-CZ 4.35Å; Y233-F309 AromaticContact CE1-CZ 3.7Å; Y233-F309 HydrophobicContact CE1-CZ 3.7Å; Y233-F309 HydrophobicContact CE2-CZ 4.41Å; Y233-F309 HydrophobicContact CG-CE1 4.05Å; Y233-F309 AromaticContact CG-CZ 3.98Å; Y233-F309 HydrophobicContact CG-CZ 3.98Å
234	I	98.9	Very high	97.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.5	-171.1	-55.8	161.2	0	0	0	108	I176 L177 L179 I191 C206 F209 V210 F232 P236	I176-I234 CarbonylContact C-O 3.59Å; I176-I234 VanDerWaalsContact CA-O 3.29Å; I176-I234 WeakPolarHBondContact CA-O 3.2Å; L177-I234 HydrophobicContact CB-CB 4.47Å; L177-I234 PolarHBondContact N-O 2.98Å; L177-I234 PolarHBondContact O-N 3.36Å; L179-I234 HydrophobicContact CB-CD1 4.34Å; L179-I234 HydrophobicContact CD2-CD1 4.13Å; I191-I234 HydrophobicContact CB-CG1 4.25Å; I191-I234 HydrophobicContact CG2-CG2 4.4Å; I191-I234 CarbonylContact O-C 3.19Å; I191-I234 VanDerWaalsContact O-CA 3.29Å; I191-I234 WeakPolarHBondContact O-CA 3.31Å; C206-I234 HydrophobicContact CB-CG2 4.12Å; F209-I234 HydrophobicContact CD1-CD1 3.56Å; F209-I234 HydrophobicContact CD1-CG1 4.45Å; F209-I234 HydrophobicContact CE1-CD1 3.75Å; V210-I234 HydrophobicContact CG2-CD1 3.5Å; V210-I234 VanDerWaalsContact CG2-CD1 3.5Å; V210-I234 HydrophobicContact CG2-CG2 4.36Å; F232-I234 HydrophobicContact CB-CD1 4.08Å; F232-I234 HydrophobicContact CB-CG1 4.07Å; I234-P236 HydrophobicContact CG2-CG 4.34Å; I234-P236 WeakPolarHBondContact O-CD 3.49Å
235	M	98.9	Very high	97.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	94.8	172.1	-170.8	172.3	-166.9	0	0	108.7	L174 I176 W190 I191 D192 C193 V237 F238 V306	L174-M235 HydrophobicContact CB-CE 3.85Å; L174-M235 HydrophobicContact CD2-CE 4Å; L174-M235 HydrophobicContact CG-CE 4.37Å; I176-M235 HydrophobicContact CG2-CB 3.76Å; I176-M235 HydrophobicContact CG2-CG 3.93Å; I176-M235 HydrophobicContact CG2-SD 4.31Å; W190-M235 HydrophobicContact CH2-CB 4.14Å; W190-M235 HydrophobicContact CH2-SD 4.32Å; W190-M235 HydrophobicContact CZ2-CB 3.92Å; W190-M235 HydrophobicContact CZ2-SD 4.11Å; I191-M235 PolarHBondContact O-N 2.62Å; D192-M235 WeakPolarHBondContact CA-O 3.39Å; D192-M235 HydrophobicContact CB-CB 4.02Å; C193-M235 PolarHBondContact N-O 3.38Å; M235-V237 VanDerWaalsContact C-N 3.26Å; M235-V237 PolarHBondContact O-N 3.26Å; M235-F238 HydrophobicContact SD-CB 4.27Å; M235-F238 HydrophobicContact SD-CD2 4Å; M235-F238 HydrophobicContact SD-CG 4.3Å; M235-V306 HydrophobicContact CE-CG2 4.38Å; M235-V306 HydrophobicContact SD-CG2 3.66Å
236	P	98.8	Very high	97.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.068	C	C	.	.	S	Bend	trans	-63.5	-30.5	-174	-24.3	35.1	0	0	0	114.1	I145 W148 M149 C193 P203 C206 I234	I145-P236 HydrophobicContact CG2-CB 4.1Å; W148-P236 HydrophobicContact CZ3-CG 4.06Å; M149-P236 HydrophobicContact SD-CG 3.83Å; C193-P236 WeakPolarHBondContact CB-O 3.24Å; P203-P236 WeakPolarHBondContact CA-O 3.49Å; P203-P236 WeakPolarHBondContact CB-O 3.46Å; C206-P236 HydrophobicContact CB-CB 4.04Å; I234-P236 HydrophobicContact CG2-CG 4.34Å; I234-P236 WeakPolarHBondContact O-CD 3.49Å
237	V	98.9	Very high	97.6	Very high	9 Å²	9	16.8 Å²	16.8	6%	0.055	8%	0.077	C	C	.	.			trans	-136.4	105.5	177.1	-173.5	0	0	0	0	108.6	L142 I145 P203 M235 V240 Y243	L142-V237 HydrophobicContact CD1-CB 4.24Å; L142-V237 HydrophobicContact CD1-CG1 4.19Å; L142-V237 HydrophobicContact CD1-CG2 4.26Å; I145-V237 HydrophobicContact CD1-CG2 3.85Å; I145-V237 HydrophobicContact CG2-CG2 4.39Å; P203-V237 HydrophobicContact CB-CG2 4.19Å; P203-V237 HydrophobicContact CG-CG2 4.41Å; M235-V237 VanDerWaalsContact C-N 3.26Å; M235-V237 PolarHBondContact O-N 3.26Å; V237-V240 HydrophobicContact CB-CG1 4.18Å; V237-V240 HydrophobicContact CG1-CB 4.47Å; V237-V240 HydrophobicContact CG1-CG1 4Å; V237-V240 WeakPolarHBondContact O-CG1 3.49Å; V237-Y243 HydrophobicContact CG1-CD1 3.98Å; V237-Y243 HydrophobicContact CG1-CD2 4.45Å; V237-Y243 HydrophobicContact CG1-CG 3.74Å; V237-Y243 HydrophobicContact CG2-CD1 4.18Å; V237-Y243 HydrophobicContact CG2-CE1 4.34Å
238	F	98.9	Very high	97.5	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-71.3	-55.2	177.3	-175.3	-68.7	0	0	0	111.2	D192 C193 I195 M235 V240 A270 W274 E302 V303 V306	D192-F238 HydrophobicContact CB-CD2 4.22Å; C193-F238 WeakPolarHBondContact O-CB 3.31Å; C193-F238 PolarHBondContact O-N 3.46Å; I195-F238 HydrophobicContact CB-CB 4.09Å; I195-F238 HydrophobicContact CB-CD1 4.1Å; I195-F238 HydrophobicContact CB-CD2 4.5Å; I195-F238 HydrophobicContact CB-CG 4Å; I195-F238 HydrophobicContact CD1-CD1 4.29Å; I195-F238 HydrophobicContact CD1-CD2 4.44Å; I195-F238 HydrophobicContact CD1-CE1 4.06Å; I195-F238 HydrophobicContact CD1-CE2 4.19Å; I195-F238 HydrophobicContact CD1-CG 4.49Å; I195-F238 HydrophobicContact CD1-CZ 4Å; I195-F238 HydrophobicContact CG1-CD1 3.74Å; I195-F238 HydrophobicContact CG1-CD2 4.5Å; I195-F238 HydrophobicContact CG1-CE1 3.91Å; I195-F238 HydrophobicContact CG1-CG 4.07Å; I195-F238 HydrophobicContact CG1-CZ 4.34Å; M235-F238 HydrophobicContact SD-CB 4.27Å; M235-F238 HydrophobicContact SD-CD2 4Å; M235-F238 HydrophobicContact SD-CG 4.3Å; F238-V240 PolarHBondContact O-N 2.76Å; F238-A270 HydrophobicContact CE1-CB 4.17Å; F238-W274 HydrophobicContact CE2-CH2 4.31Å; F238-W274 AromaticContact CE2-CZ2 3.8Å; F238-W274 HydrophobicContact CE2-CZ2 3.8Å; F238-W274 HydrophobicContact CZ-CH2 4.45Å; F238-W274 AromaticContact CZ-CZ2 3.73Å; F238-W274 HydrophobicContact CZ-CZ2 3.73Å; F238-E302 HydrophobicContact CD1-CB 4.21Å; F238-E302 HydrophobicContact CE1-CB 3.84Å; F238-V303 HydrophobicContact CE1-CG2 3.94Å; F238-V303 HydrophobicContact CZ-CB 4.48Å; F238-V303 HydrophobicContact CZ-CG2 3.96Å; F238-V306 HydrophobicContact CD2-CG2 3.98Å; F238-V306 HydrophobicContact CE2-CB 3.88Å; F238-V306 HydrophobicContact CE2-CG1 4.12Å; F238-V306 HydrophobicContact CE2-CG2 3.5Å; F238-V306 VanDerWaalsContact CE2-CG2 3.5Å; F238-V306 HydrophobicContact CZ-CB 4.33Å; F238-V306 HydrophobicContact CZ-CG2 4.06Å
239	N	98.8	Very high	97.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-94.2	73.7	-178.5	178.3	7.4	0	0	0	110	G194 I195 D241 G242 Y243 R254 K255	G194-N239 WeakPolarHBondContact O-CB 3.5Å; G194-N239 PolarHBondContact O-N 3.28Å; I195-N239 VanDerWaalsContact O-CB 3.26Å; I195-N239 WeakPolarHBondContact O-CB 3.37Å; I195-N239 PolarHBondContact O-ND2 3.4Å; N239-D241 VanDerWaalsContact C-N 3.29Å; N239-D241 PolarHBondContact O-N 3.49Å; N239-G242 PolarHBondContact O-N 3.32Å; N239-G242 WeakPolarHBondContact OD1-CA 3.29Å; N239-G242 PolarHBondContact OD1-N 3.15Å; N239-Y243 VanDerWaalsContact O-CB 3.29Å; N239-Y243 WeakPolarHBondContact O-CB 3.44Å; N239-Y243 PolarHBondContact O-N 3.34Å; N239-R254 PolarHBondContact ND2-O 2.92Å; N239-K255 PolarHBondContact ND2-O 3.37Å
240	V	98.9	Very high	97.5	Very high	3 Å²	3	16.3 Å²	16.3	2%	0.018	8%	0.08	C	C	.	.	H	α-helix	trans	-60.2	-36.3	-174.3	-63.7	0	0	0	0	113.1	L142 S168 R172 L174 V237 F238 H244	L142-V240 HydrophobicContact CD1-CB 4.11Å; L142-V240 HydrophobicContact CD1-CG1 4Å; L142-V240 HydrophobicContact CD2-CB 4Å; S168-V240 VanDerWaalsContact CB-CG2 3.43Å; R172-V240 HydrophobicContact CB-CG2 3.82Å; L174-V240 HydrophobicContact CD2-CG1 4.17Å; L174-V240 HydrophobicContact CD2-CG2 3.69Å; V237-V240 HydrophobicContact CB-CG1 4.18Å; V237-V240 HydrophobicContact CG1-CB 4.47Å; V237-V240 HydrophobicContact CG1-CG1 4Å; V237-V240 WeakPolarHBondContact O-CG1 3.49Å; F238-V240 PolarHBondContact O-N 2.76Å; V240-H244 WeakPolarHBondContact O-CB 3.23Å; V240-H244 PolarHBondContact O-N 3.13Å
241	D	98.9	Very high	97.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-73.1	-45.6	-179.7	-63.6	-14.2	0	0	0	111.6	S168 Y169 E170 R172 N239 F245 R257	S168-D241 VanDerWaalsContact CB-CG 3.46Å; S168-D241 VanDerWaalsContact CB-OD1 3.29Å; S168-D241 WeakPolarHBondContact CB-OD1 3.11Å; S168-D241 VanDerWaalsContact CB-OD2 3.24Å; S168-D241 WeakPolarHBondContact CB-OD2 3.49Å; S168-D241 PolarHBondContact OG-OD1 3.48Å; S168-D241 PolarHBondContact OG-OD2 3.07Å; S168-D241 VanDerWaalsContact OG-OD2 3.06Å; Y169-D241 PolarHBondContact N-OD2 3.14Å; E170-D241 WeakPolarHBondContact CB-OD2 3.38Å; E170-D241 HydrophobicContact CG-CB 4.32Å; E170-D241 WeakPolarHBondContact CG-OD2 3.24Å; E170-D241 PolarHBondContact N-OD2 2.79Å; R172-D241 IonicContact CZ-OD1 3.49Å; R172-D241 IonicContact NH1-OD1 2.72Å; R172-D241 PolarHBondContact NH1-OD1 3.5Å; N239-D241 VanDerWaalsContact C-N 3.29Å; N239-D241 PolarHBondContact O-N 3.49Å; D241-F245 WeakPolarHBondContact O-CB 3.21Å; D241-F245 PolarHBondContact O-N 3.14Å; D241-R257 HydrophobicContact CB-CB 3.75Å; D241-R257 HydrophobicContact CB-CG 3.64Å
242	G	98.8	Very high	97.3	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-62.5	-44.5	175.3	0	0	0	0	0	111.1	A197 N239 H244 F245 S246	A197-G242 VanDerWaalsContact CB-O 3.23Å; A197-G242 WeakPolarHBondContact CB-O 3.28Å; N239-G242 PolarHBondContact O-N 3.32Å; N239-G242 WeakPolarHBondContact OD1-CA 3.29Å; N239-G242 PolarHBondContact OD1-N 3.15Å; G242-H244 PolarHBondContact O-N 2.9Å; G242-F245 WeakPolarHBondContact O-CB 3.29Å; G242-F245 PolarHBondContact O-N 3.42Å; G242-F245 VanDerWaalsContact O-N 3.16Å; G242-S246 PolarHBondContact O-N 2.89Å
243	Y	98.8	Very high	97.3	Very high	1 Å²	1	15.9 Å²	15.9	0%	0.004	8%	0.079	C	C	.	.	H	α-helix	trans	-59.1	-50.3	179.2	-170.4	-107.6	0	0	0	110.5	H140 L142 I145 W200 P203 V237 N239 F245 S246 W247	H140-Y243 WeakPolarHBondContact O-CE1 3.42Å; H140-Y243 PolarHBondContact O-OH 2.66Å; L142-Y243 HydrophobicContact CB-CD1 4.12Å; L142-Y243 HydrophobicContact CD1-CD1 4.49Å; I145-Y243 HydrophobicContact CD1-CE1 3.82Å; W200-Y243 AromaticContact CD1-CE2 3.44Å; W200-Y243 VanDerWaalsContact CD1-CE2 3.44Å; W200-Y243 HydrophobicContact CG-CE2 4.11Å; W200-Y243 AromaticContact NE1-CE2 3.76Å; P203-Y243 HydrophobicContact CB-CE2 4.31Å; P203-Y243 HydrophobicContact CG-CD2 4.32Å; P203-Y243 HydrophobicContact CG-CE2 3.88Å; V237-Y243 HydrophobicContact CG1-CD1 3.98Å; V237-Y243 HydrophobicContact CG1-CD2 4.45Å; V237-Y243 HydrophobicContact CG1-CG 3.74Å; V237-Y243 HydrophobicContact CG2-CD1 4.18Å; V237-Y243 HydrophobicContact CG2-CE1 4.34Å; N239-Y243 VanDerWaalsContact O-CB 3.29Å; N239-Y243 WeakPolarHBondContact O-CB 3.44Å; N239-Y243 PolarHBondContact O-N 3.34Å; Y243-F245 VanDerWaalsContact C-N 3.31Å; Y243-F245 PolarHBondContact O-N 2.63Å; Y243-S246 WeakPolarHBondContact O-CB 3.21Å; Y243-S246 PolarHBondContact O-N 2.84Å; Y243-S246 PolarHBondContact O-OG 3.38Å; Y243-W247 AromaticContact CD1-NE1 3.99Å; Y243-W247 AromaticContact CE1-CD1 3.85Å; Y243-W247 AromaticContact CE1-NE1 3.3Å; Y243-W247 VanDerWaalsContact CE1-NE1 3.3Å; Y243-W247 AromaticContact CE2-NE1 3.89Å; Y243-W247 AromaticContact CZ-NE1 3.25Å; Y243-W247 VanDerWaalsContact CZ-NE1 3.25Å; Y243-W247 VanDerWaalsContact O-CD1 3.3Å; Y243-W247 PolarHBondContact O-N 3.46Å; Y243-W247 PolarHBondContact OH-NE1 2.74Å
244	H	98.4	Very high	97.2	Very high	65 Å²	65	15.7 Å²	15.7	30%	0.301	8%	0.078	S	C	.	.	H	α-helix	trans	-56.3	-45.1	174.3	-179.6	75.5	0	0	0	112.2	L142 R172 V240 G242 S246 W247 T248	L142-H244 HydrophobicContact CB-CB 4.5Å; L142-H244 HydrophobicContact CD2-CB 4.09Å; R172-H244 PolarHBondContact NH2-CD2 3.29Å; V240-H244 WeakPolarHBondContact O-CB 3.23Å; V240-H244 PolarHBondContact O-N 3.13Å; G242-H244 PolarHBondContact O-N 2.9Å; H244-S246 PolarHBondContact O-N 3.49Å; H244-W247 WeakPolarHBondContact O-CB 3.41Å; H244-W247 PolarHBondContact O-N 3.25Å; H244-T248 PolarHBondContact O-N 3.45Å; H244-T248 VanDerWaalsContact O-N 3.15Å; H244-T248 PolarHBondContact O-OG1 2.77Å
245	F	98	Very high	97.2	Very high	16 Å²	16	15.8 Å²	15.8	7%	0.07	8%	0.078	C	C	.	.	H	α-helix	trans	-61	-31	177.3	-166.6	-103.4	0	0	0	113	D241 G242 Y243 W247 T248 N249 D250 W253	D241-F245 WeakPolarHBondContact O-CB 3.21Å; D241-F245 PolarHBondContact O-N 3.14Å; G242-F245 WeakPolarHBondContact O-CB 3.29Å; G242-F245 PolarHBondContact O-N 3.42Å; G242-F245 VanDerWaalsContact O-N 3.16Å; Y243-F245 VanDerWaalsContact C-N 3.31Å; Y243-F245 PolarHBondContact O-N 2.63Å; F245-W247 VanDerWaalsContact C-N 3.28Å; F245-W247 PolarHBondContact O-N 3.22Å; F245-T248 PolarHBondContact O-N 2.67Å; F245-N249 HydrophobicContact CD1-CB 4.2Å; F245-N249 HydrophobicContact CD2-CB 3.62Å; F245-N249 WeakPolarHBondContact CD2-OD1 3.42Å; F245-N249 HydrophobicContact CE1-CB 3.91Å; F245-N249 HydrophobicContact CE2-CB 3.27Å; F245-N249 HydrophobicContact CG-CB 4.08Å; F245-N249 HydrophobicContact CZ-CB 3.43Å; F245-N249 VanDerWaalsContact CZ-CB 3.43Å; F245-N249 PolarHBondContact O-N 3.06Å; F245-D250 HydrophobicContact CD1-CB 3.94Å; F245-D250 HydrophobicContact CE1-CB 3.48Å; F245-D250 VanDerWaalsContact CE1-CB 3.48Å; F245-D250 HydrophobicContact CZ-CB 4.33Å; F245-D250 PolarHBondContact O-N 3.16Å; F245-W253 HydrophobicContact CD1-CB 3.76Å; F245-W253 AromaticContact CD1-CD2 3.67Å; F245-W253 HydrophobicContact CD1-CD2 3.67Å; F245-W253 AromaticContact CD1-CE3 3.9Å; F245-W253 HydrophobicContact CD1-CE3 3.9Å; F245-W253 AromaticContact CD1-CG 3.56Å; F245-W253 HydrophobicContact CD1-CG 3.56Å; F245-W253 HydrophobicContact CE1-CB 4.33Å; F245-W253 AromaticContact CE1-CD2 3.82Å; F245-W253 HydrophobicContact CE1-CD2 3.82Å; F245-W253 AromaticContact CE1-CE3 3.53Å; F245-W253 HydrophobicContact CE1-CE3 3.53Å; F245-W253 HydrophobicContact CE1-CG 4.13Å; F245-W253 HydrophobicContact CE1-CZ3 4.12Å
246	S	97.1	Very high	97.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-69.7	-23.6	175.3	78.2	0	0	0	0	114.2	Y33 A197 W200 G242 Y243 H244 D250 R251	Y33-S246 WeakPolarHBondContact CE1-O 3.44Å; Y33-S246 PolarHBondContact OH-O 3.02Å; Y33-S246 VanDerWaalsContact OH-O 3.11Å; A197-S246 PolarHBondContact O-OG 2.97Å; W200-S246 PolarHBondContact NE1-OG 3.36Å; G242-S246 PolarHBondContact O-N 2.89Å; Y243-S246 WeakPolarHBondContact O-CB 3.21Å; Y243-S246 PolarHBondContact O-N 2.84Å; Y243-S246 PolarHBondContact O-OG 3.38Å; H244-S246 PolarHBondContact O-N 3.49Å; S246-D250 VanDerWaalsContact CA-O 3.25Å; S246-D250 WeakPolarHBondContact CA-O 3.37Å; S246-R251 WeakPolarHBondContact O-CA 3.46Å
247	W	94.9	Very high	97.1	Very high	50 Å²	50	16.4 Å²	16.4	19%	0.189	8%	0.081	C	C	.	.	H	α-helix	trans	-85	-32.7	173.5	-77.6	88.7	0	0	0	112.5	Y139 H140 W200 Y243 H244 F245	Y139-W247 WeakPolarHBondContact O-CH2 3.26Å; H140-W247 WeakPolarHBondContact O-CZ2 3.5Å; W200-W247 HydrophobicContact CD2-CZ2 4.4Å; W200-W247 AromaticContact CE2-CE2 3.98Å; W200-W247 AromaticContact CE2-NE1 3.74Å; W200-W247 HydrophobicContact CE3-CZ2 4.18Å; W200-W247 AromaticContact CH2-CD2 3.79Å; W200-W247 HydrophobicContact CH2-CD2 3.79Å; W200-W247 AromaticContact CH2-CE2 3.77Å; W200-W247 AromaticContact CH2-CE3 4Å; W200-W247 HydrophobicContact CH2-CE3 4Å; W200-W247 HydrophobicContact CH2-CG 4.35Å; W200-W247 HydrophobicContact CH2-CH2 4.19Å; W200-W247 AromaticContact CH2-CZ2 3.97Å; W200-W247 HydrophobicContact CH2-CZ2 3.97Å; W200-W247 HydrophobicContact CH2-CZ3 4.2Å; W200-W247 AromaticContact CZ2-CD1 3.84Å; W200-W247 AromaticContact CZ2-CD2 3.76Å; W200-W247 HydrophobicContact CZ2-CD2 3.76Å; W200-W247 AromaticContact CZ2-CE2 3.64Å; W200-W247 HydrophobicContact CZ2-CE3 4.42Å; W200-W247 AromaticContact CZ2-CG 3.89Å; W200-W247 HydrophobicContact CZ2-CG 3.89Å; W200-W247 HydrophobicContact CZ2-CZ2 4.2Å; W200-W247 AromaticContact CZ2-NE1 3.68Å; W200-W247 HydrophobicContact CZ3-CH2 4.1Å; W200-W247 AromaticContact CZ3-CZ2 3.97Å; W200-W247 HydrophobicContact CZ3-CZ2 3.97Å; W200-W247 HydrophobicContact CZ3-CZ3 4.45Å; W200-W247 AromaticContact NE1-NE1 4Å; Y243-W247 AromaticContact CD1-NE1 3.99Å; Y243-W247 AromaticContact CE1-CD1 3.85Å; Y243-W247 AromaticContact CE1-NE1 3.3Å; Y243-W247 VanDerWaalsContact CE1-NE1 3.3Å; Y243-W247 AromaticContact CE2-NE1 3.89Å; Y243-W247 AromaticContact CZ-NE1 3.25Å; Y243-W247 VanDerWaalsContact CZ-NE1 3.25Å; Y243-W247 VanDerWaalsContact O-CD1 3.3Å; Y243-W247 PolarHBondContact O-N 3.46Å; Y243-W247 PolarHBondContact OH-NE1 2.74Å; H244-W247 WeakPolarHBondContact O-CB 3.41Å; H244-W247 PolarHBondContact O-N 3.25Å; F245-W247 VanDerWaalsContact C-N 3.28Å; F245-W247 PolarHBondContact O-N 3.22Å
248	T	92.9	Very high	97.1	Very high	70 Å²	70	16.6 Å²	16.6	43%	0.429	8%	0.082	S	C	.	.	H	α-helix	trans	-102.6	-27.3	-168.6	57.3	0	0	0	0	114.6	H244 F245	H244-T248 PolarHBondContact O-N 3.45Å; H244-T248 VanDerWaalsContact O-N 3.15Å; H244-T248 PolarHBondContact O-OG1 2.77Å; F245-T248 PolarHBondContact O-N 2.67Å
249	N	92.9	Very high	96.9	Very high	73 Å²	73	24.4 Å²	24.4	39%	0.39	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135.5	-48.4	-167.3	-67.2	95.7	0	0	0	114	F245	F245-N249 HydrophobicContact CD1-CB 4.2Å; F245-N249 HydrophobicContact CD2-CB 3.62Å; F245-N249 WeakPolarHBondContact CD2-OD1 3.42Å; F245-N249 HydrophobicContact CE1-CB 3.91Å; F245-N249 HydrophobicContact CE2-CB 3.27Å; F245-N249 HydrophobicContact CG-CB 4.08Å; F245-N249 HydrophobicContact CZ-CB 3.43Å; F245-N249 VanDerWaalsContact CZ-CB 3.43Å; F245-N249 PolarHBondContact O-N 3.06Å
250	D	93.9	Very high	96.6	Very high	6 Å²	6	26.4 Å²	26.4	3%	0.032	12%	0.122	C	C	.	.			trans	-147.5	94.5	-169.4	-175.6	-28.8	0	0	0	110.6	C3 Y37 F245 S246 F252 W253	C3-D250 HydrophobicContact CB-CB 4.44Å; C3-D250 PolarHBondContact N-OD2 2.03Å; Y37-D250 PolarHBondContact OH-OD1 2.76Å; F245-D250 HydrophobicContact CD1-CB 3.94Å; F245-D250 HydrophobicContact CE1-CB 3.48Å; F245-D250 VanDerWaalsContact CE1-CB 3.48Å; F245-D250 HydrophobicContact CZ-CB 4.33Å; F245-D250 PolarHBondContact O-N 3.16Å; S246-D250 VanDerWaalsContact CA-O 3.25Å; S246-D250 WeakPolarHBondContact CA-O 3.37Å; D250-F252 PolarHBondContact O-N 2.87Å; D250-F252 PolarHBondContact OD1-N 2.77Å; D250-F252 VanDerWaalsContact OD1-N 3.09Å; D250-W253 HydrophobicContact CB-CB 4.14Å; D250-W253 VanDerWaalsContact O-CB 3.22Å; D250-W253 WeakPolarHBondContact O-CB 3.29Å; D250-W253 PolarHBondContact O-N 3.41Å; D250-W253 PolarHBondContact OD1-N 3.4Å; D250-W253 VanDerWaalsContact OD1-N 3.08Å
251	R	95.1	Very high	95.9	Very high	5 Å²	5	32.1 Å²	32.1	2%	0.019	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-30	-179.3	-175.6	52.1	-175.7	76.3	-0.7	115.2	Y33 Y37 L116 R198 W200 S246 F407 L408	Y33-R251 HydrophobicContact CD2-CB 4.3Å; Y33-R251 HydrophobicContact CE1-CB 4Å; Y33-R251 HydrophobicContact CE2-CB 3.76Å; Y33-R251 HydrophobicContact CE2-CG 4.37Å; Y37-R251 HydrophobicContact CE2-CB 4.31Å; Y37-R251 PolarHBondContact OH-N 3.25Å; L116-R251 HydrophobicContact CD2-CB 4.35Å; L116-R251 HydrophobicContact CD2-CG 3.71Å; R198-R251 WeakPolarHBondContact CB-O 3.34Å; R198-R251 PolarHBondContact O-NH1 3.01Å; W200-R251 VanDerWaalsContact CD2-CZ 3.43Å; W200-R251 VanDerWaalsContact CD2-NH2 3.31Å; W200-R251 VanDerWaalsContact CE2-NE 3.32Å; W200-R251 VanDerWaalsContact CH2-CD 3.46Å; W200-R251 VanDerWaalsContact CH2-NE 3.32Å; W200-R251 VanDerWaalsContact CZ2-NE 3.29Å; S246-R251 WeakPolarHBondContact O-CA 3.46Å; R251-F407 PolarHBondContact NH2-O 3.12Å; R251-L408 HydrophobicContact CG-CD2 4.21Å
252	F	95.2	Very high	95.3	Very high	8 Å²	8	42.8 Å²	42.8	4%	0.035	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	13.7	-177.4	-57.3	-72.4	0	0	0	112.8	Y37 W68 L112 L116 R198 D250 R254 F407 L408	Y37-F252 HydrophobicContact CD1-CD2 4.11Å; Y37-F252 HydrophobicContact CD1-CE2 4.15Å; Y37-F252 HydrophobicContact CD2-CE2 4.32Å; Y37-F252 AromaticContact CE1-CD2 3.5Å; Y37-F252 HydrophobicContact CE1-CD2 3.5Å; Y37-F252 VanDerWaalsContact CE1-CD2 3.5Å; Y37-F252 AromaticContact CE1-CE2 3.95Å; Y37-F252 HydrophobicContact CE1-CE2 3.95Å; Y37-F252 HydrophobicContact CE2-CD2 4.12Å; Y37-F252 HydrophobicContact CE2-CE2 4.1Å; Y37-F252 HydrophobicContact CG-CE2 4.32Å; Y37-F252 AromaticContact CZ-CD2 3.49Å; Y37-F252 VanDerWaalsContact CZ-CD2 3.49Å; Y37-F252 AromaticContact CZ-CE2 3.91Å; W68-F252 HydrophobicContact CH2-CD1 4.21Å; W68-F252 AromaticContact CH2-CE1 3.58Å; W68-F252 HydrophobicContact CH2-CE1 3.58Å; W68-F252 HydrophobicContact CH2-CZ 4.21Å; W68-F252 AromaticContact CZ2-CD1 3.49Å; W68-F252 HydrophobicContact CZ2-CD1 3.49Å; W68-F252 VanDerWaalsContact CZ2-CD1 3.49Å; W68-F252 AromaticContact CZ2-CE1 3.27Å; W68-F252 HydrophobicContact CZ2-CE1 3.27Å; W68-F252 HydrophobicContact CZ2-CG 4.3Å; W68-F252 AromaticContact CZ2-CZ 3.94Å; W68-F252 HydrophobicContact CZ2-CZ 3.94Å; L112-F252 HydrophobicContact CD1-CE1 4.48Å; L112-F252 HydrophobicContact CD1-CE2 4.15Å; L112-F252 HydrophobicContact CD1-CZ 3.63Å; L112-F252 HydrophobicContact CD2-CD2 4.1Å; L112-F252 HydrophobicContact CD2-CE2 3.37Å; L112-F252 HydrophobicContact CD2-CZ 3.68Å; L112-F252 HydrophobicContact CG-CE2 3.72Å; L112-F252 HydrophobicContact CG-CZ 3.75Å; L116-F252 HydrophobicContact CD1-CE2 4.17Å; L116-F252 HydrophobicContact CD2-CZ 4.34Å; R198-F252 WeakPolarHBondContact CD-O 3.38Å; R198-F252 PolarHBondContact NH1-O 3.06Å; D250-F252 PolarHBondContact O-N 2.87Å; D250-F252 PolarHBondContact OD1-N 2.77Å; D250-F252 VanDerWaalsContact OD1-N 3.09Å; F252-R254 PolarHBondContact O-N 3.4Å; F252-F407 HydrophobicContact CD1-CD2 4.38Å; F252-F407 HydrophobicContact CE1-CB 4.46Å; F252-L408 HydrophobicContact CE1-CD1 4.46Å; F252-L408 HydrophobicContact CE1-CD2 3.81Å; F252-L408 HydrophobicContact CE1-CG 4.01Å; F252-L408 HydrophobicContact CZ-CD1 4.01Å; F252-L408 HydrophobicContact CZ-CD2 3.81Å; F252-L408 HydrophobicContact CZ-CG 4.03Å
253	W	96.9	Very high	94.7	Very high	7 Å²	7	47 Å²	47	3%	0.027	22%	0.221	C	C	.	.			trans	-60.2	129	169.7	-170.3	-93.9	0	0	0	110.9	K2 A197 R198 F245 D250 K255 T256 R257 R266	K2-W253 HydrophobicContact CD-CE3 4.21Å; K2-W253 HydrophobicContact CD-CH2 4.11Å; K2-W253 HydrophobicContact CD-CZ3 3.41Å; K2-W253 VanDerWaalsContact CD-CZ3 3.41Å; K2-W253 HydrophobicContact CG-CE3 4.2Å; K2-W253 HydrophobicContact CG-CZ3 3.84Å; A197-W253 CarbonylContact C-O 3.59Å; A197-W253 VanDerWaalsContact CB-O 3.22Å; A197-W253 WeakPolarHBondContact CB-O 3.34Å; R198-W253 WeakPolarHBondContact CB-O 3.32Å; R198-W253 PolarHBondContact N-O 2.61Å; F245-W253 HydrophobicContact CD1-CB 3.76Å; F245-W253 AromaticContact CD1-CD2 3.67Å; F245-W253 HydrophobicContact CD1-CD2 3.67Å; F245-W253 AromaticContact CD1-CE3 3.9Å; F245-W253 HydrophobicContact CD1-CE3 3.9Å; F245-W253 AromaticContact CD1-CG 3.56Å; F245-W253 HydrophobicContact CD1-CG 3.56Å; F245-W253 HydrophobicContact CE1-CB 4.33Å; F245-W253 AromaticContact CE1-CD2 3.82Å; F245-W253 HydrophobicContact CE1-CD2 3.82Å; F245-W253 AromaticContact CE1-CE3 3.53Å; F245-W253 HydrophobicContact CE1-CE3 3.53Å; F245-W253 HydrophobicContact CE1-CG 4.13Å; F245-W253 HydrophobicContact CE1-CZ3 4.12Å; D250-W253 HydrophobicContact CB-CB 4.14Å; D250-W253 VanDerWaalsContact O-CB 3.22Å; D250-W253 WeakPolarHBondContact O-CB 3.29Å; D250-W253 PolarHBondContact O-N 3.41Å; D250-W253 PolarHBondContact OD1-N 3.4Å; D250-W253 VanDerWaalsContact OD1-N 3.08Å; W253-K255 HydrophobicContact CZ2-CB 4.24Å; W253-K255 PolarHBondContact NE1-O 3.31Å; W253-T256 WeakPolarHBondContact CZ2-O 3.47Å; W253-T256 PolarHBondContact NE1-O 3.05Å; W253-T256 VanDerWaalsContact NE1-O 3.17Å; W253-R257 VanDerWaalsContact CZ3-NH1 3.29Å; W253-R266 HydrophobicContact CH2-CB 4Å; W253-R266 VanDerWaalsContact CH2-O 3.31Å; W253-R266 WeakPolarHBondContact CH2-O 3.41Å; W253-R266 HydrophobicContact CZ2-CB 4.29Å; W253-R266 WeakPolarHBondContact CZ2-O 3.43Å
254	R	97.3	Very high	94.3	Very high	16 Å²	16	58.8 Å²	58.8	6%	0.06	27%	0.265	C	S	.	.			trans	-103.8	-50.1	-178.6	179	-176.3	168.8	83.8	-4.2	112.9	H196 A197 E199 N239 F252 D269	H196-R254 WeakPolarHBondContact CA-O 3.42Å; H196-R254 HydrophobicContact CB-CG 3.98Å; H196-R254 VanDerWaalsContact CD2-CZ 3.48Å; H196-R254 PolarHBondContact CE1-NH1 3.17Å; H196-R254 VanDerWaalsContact CE1-NH1 3.3Å; H196-R254 PolarHBondContact CE1-NH2 2.8Å; H196-R254 PolarHBondContact ND1-NH1 3.49Å; H196-R254 VanDerWaalsContact NE2-CZ 3.3Å; H196-R254 PolarHBondContact NE2-NH2 2.93Å; A197-R254 PolarHBondContact N-O 2.96Å; E199-R254 IonicContact OE1-NH1 3.72Å; E199-R254 PolarHBondContact OE1-NH1 2.71Å; N239-R254 PolarHBondContact ND2-O 2.92Å; F252-R254 PolarHBondContact O-N 3.4Å; R254-D269 IonicContact CZ-OD2 3.59Å; R254-D269 IonicContact NE-OD2 2.67Å; R254-D269 PolarHBondContact NE-OD2 3.4Å; R254-D269 VanDerWaalsContact NE-OD2 3.08Å; R254-D269 IonicContact NH2-OD1 3.58Å; R254-D269 IonicContact NH2-OD2 3.43Å; R254-D269 PolarHBondContact NH2-OD2 3.17Å
255	K	98.5	Very high	93.9	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.009	26%	0.261	C	S	.	.	S	Bend	trans	-74	176.8	-165.1	-64.9	-161.3	-69.4	175.9	0	114.2	N239 W253 R266 G267 V268 P287 D289	N239-K255 PolarHBondContact ND2-O 3.37Å; W253-K255 HydrophobicContact CZ2-CB 4.24Å; W253-K255 PolarHBondContact NE1-O 3.31Å; K255-R266 VanDerWaalsContact CE-O 3.32Å; K255-R266 WeakPolarHBondContact CE-O 3.45Å; K255-R266 PolarHBondContact NZ-O 3.41Å; K255-G267 WeakPolarHBondContact CD-O 3.22Å; K255-G267 VanDerWaalsContact CE-O 3.23Å; K255-G267 WeakPolarHBondContact CE-O 3.24Å; K255-G267 PolarHBondContact NZ-O 3Å; K255-V268 WeakPolarHBondContact CA-O 3.2Å; K255-V268 VanDerWaalsContact CB-O 3.29Å; K255-V268 WeakPolarHBondContact CB-O 3.29Å; K255-P287 PolarHBondContact NZ-O 2.89Å; K255-D289 WeakPolarHBondContact CD-O 3.34Å; K255-D289 WeakPolarHBondContact CE-O 3.37Å; K255-D289 PolarHBondContact NZ-O 3.41Å
256	T	98.8	Very high	93.8	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	27%	0.271	C	S	.	.			trans	-64.3	-173	163.5	65.4	0	0	0	0	111.3	W253 S258 G267 V268 A270 E300	W253-T256 WeakPolarHBondContact CZ2-O 3.47Å; W253-T256 PolarHBondContact NE1-O 3.05Å; W253-T256 VanDerWaalsContact NE1-O 3.17Å; T256-S258 PolarHBondContact OG1-OG 3.47Å; T256-G267 WeakPolarHBondContact O-CA 3.47Å; T256-G267 WeakPolarHBondContact OG1-CA 3Å; T256-V268 PolarHBondContact N-O 3.39Å; T256-V268 PolarHBondContact OG1-N 3.36Å; T256-V268 PolarHBondContact OG1-O 3.04Å; T256-A270 HydrophobicContact CG2-CB 4Å; T256-E300 WeakPolarHBondContact CB-OE2 3.35Å; T256-E300 HydrophobicContact CG2-CB 4.2Å; T256-E300 HydrophobicContact CG2-CG 3.93Å; T256-E300 PolarHBondContact OG1-OE2 2.91Å
257	R	98.3	Very high	93.9	Very high	14 Å²	14	60 Å²	60	5%	0.053	27%	0.272	C	S	.	.			trans	-116.8	12.6	179.1	-67	-61.1	-58.4	172.2	-9.7	114.8	E170 D241 W253	E170-R257 HydrophobicContact CG-CB 4.21Å; E170-R257 WeakPolarHBondContact OE1-CB 3.2Å; E170-R257 IonicContact OE1-NE 3.86Å; D241-R257 HydrophobicContact CB-CB 3.75Å; D241-R257 HydrophobicContact CB-CG 3.64Å; W253-R257 VanDerWaalsContact CZ3-NH1 3.29Å
258	S	97.9	Very high	94	Very high	12 Å²	12	57.7 Å²	57.7	8%	0.084	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-54.7	141.5	175.7	58.3	0	0	0	0	112.3	T256 R266 G267 E300	T256-S258 PolarHBondContact OG1-OG 3.47Å; S258-R266 WeakPolarHBondContact O-CA 3.06Å; S258-G267 PolarHBondContact O-N 3.14Å; S258-E300 VanDerWaalsContact CB-OE2 3.24Å; S258-E300 WeakPolarHBondContact CB-OE2 3.29Å; S258-E300 PolarHBondContact OG-OE2 3.13Å
259	R	95.7	Very high	94.3	Very high	165 Å²	165	54.4 Å²	54.4	62%	0.623	24%	0.243	S	C	*	.	B	Isolated β-bridge	trans	-84.8	136.7	176.6	-62.9	178.8	-179.9	-167.2	0.2	109.5	Y169	Y169-R259 HydrophobicContact CE1-CB 4.46Å; Y169-R259 HydrophobicContact CE1-CG 3.96Å; Y169-R259 WeakPolarHBondContact OH-CB 3.33Å; Y169-R259 WeakPolarHBondContact OH-CG 3.27Å; Y169-R259 PolarHBondContact OH-N 3.16Å
260	N	90.6	Very high	94.6	Very high	41 Å²	41	51 Å²	51	22%	0.219	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-91.9	134.4	162.1	-168.6	-68.5	0	0	0	108.6	R262 F263 P287	N260-R262 PolarHBondContact OD1-N 3.22Å; N260-F263 HydrophobicContact CB-CB 4.41Å; N260-F263 VanDerWaalsContact O-O 3.14Å; N260-F263 PolarHBondContact OD1-N 3.38Å; N260-P287 HydrophobicContact CB-CB 4.36Å; N260-P287 WeakPolarHBondContact ND2-CB 3.43Å; N260-P287 WeakPolarHBondContact ND2-CG 3.41Å
261	S	84.2	Confident	94.8	Very high	123 Å²	123	51.5 Å²	51.5	86%	0.86	23%	0.228	S	C	*	.	S	Bend	trans	-75.1	-26.6	-178.4	52.2	0	0	0	0	113.4
262	R	86.6	Confident	95	Very high	225 Å²	225	51.5 Å²	51.5	85%	0.849	23%	0.228	S	C	*	.	S	Bend	trans	-97.5	-30.5	-175.2	-64.8	-177.4	178.9	174	-0.8	113.1	N260	N260-R262 PolarHBondContact OD1-N 3.22Å
263	F	87.5	Confident	95.1	Very high	88 Å²	88	51.1 Å²	51.1	39%	0.386	23%	0.226	S	C	.	.	S	Bend	trans	-113.4	145.8	-176.8	-65.5	-93.7	0	0	0	111.3	N260 C265 H286 P287	N260-F263 HydrophobicContact CB-CB 4.41Å; N260-F263 VanDerWaalsContact O-O 3.14Å; N260-F263 PolarHBondContact OD1-N 3.38Å; F263-C265 HydrophobicContact CB-CB 4.39Å; F263-C265 PolarHBondContact O-N 3.45Å; F263-C265 VanDerWaalsContact O-N 3.16Å; F263-H286 AromaticContact CE1-NE2 3.96Å; F263-P287 HydrophobicContact CB-CB 4.18Å; F263-P287 HydrophobicContact CD2-CB 4.05Å; F263-P287 HydrophobicContact CD2-CG 3.54Å; F263-P287 HydrophobicContact CE2-CG 3.85Å; F263-P287 HydrophobicContact CG-CB 4.17Å; F263-P287 HydrophobicContact CG-CG 4.13Å
264	R	89.3	Confident	95.2	Very high	249 Å²	249	50.8 Å²	50.8	94%	0.94	23%	0.225	S	C	*	.	S	Bend	trans	-68.7	-8.8	172.7	-66.5	-174.2	176.4	-172.9	0.4	113.2
265	C	91.4	Very high	95.3	Very high	30 Å²	30	56.7 Å²	56.7	20%	0.203	25%	0.251	C	S	.	.			trans	-75.8	149.8	177.4	-63.5	0	0	0	0	111.8	F263 C288	F263-C265 HydrophobicContact CB-CB 4.39Å; F263-C265 PolarHBondContact O-N 3.45Å; F263-C265 VanDerWaalsContact O-N 3.16Å; C265-C288 HydrophobicContact CB-CB 3.84Å; C265-C288 WeakPolarHBondContact CB-SG 3.43Å; C265-C288 WeakPolarHBondContact SG-CA 3.27Å; C265-C288 WeakPolarHBondContact SG-CB 3.37Å; C265-C288 CovalentContact SG-SG 2.03Å; C265-C288 PolarHBondContact SG-SG 3.16Å
266	R	95.8	Very high	95.2	Very high	74 Å²	74	56.7 Å²	56.7	28%	0.279	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-125.1	154.5	-178.1	-68.1	-175.3	175.3	-134.5	7.1	111.6	W253 K255 S258	W253-R266 HydrophobicContact CH2-CB 4Å; W253-R266 VanDerWaalsContact CH2-O 3.31Å; W253-R266 WeakPolarHBondContact CH2-O 3.41Å; W253-R266 HydrophobicContact CZ2-CB 4.29Å; W253-R266 WeakPolarHBondContact CZ2-O 3.43Å; K255-R266 VanDerWaalsContact CE-O 3.32Å; K255-R266 WeakPolarHBondContact CE-O 3.45Å; K255-R266 PolarHBondContact NZ-O 3.41Å; S258-R266 WeakPolarHBondContact O-CA 3.06Å
267	G	97.9	Very high	95.1	Very high	2 Å²	2	61.9 Å²	61.9	2%	0.021	27%	0.274	C	S	.	.			trans	81.9	153	171.2	0	0	0	0	0	114	K255 T256 S258 Y292	K255-G267 WeakPolarHBondContact CD-O 3.22Å; K255-G267 VanDerWaalsContact CE-O 3.23Å; K255-G267 WeakPolarHBondContact CE-O 3.24Å; K255-G267 PolarHBondContact NZ-O 3Å; T256-G267 WeakPolarHBondContact O-CA 3.47Å; T256-G267 WeakPolarHBondContact OG1-CA 3Å; S258-G267 PolarHBondContact O-N 3.14Å; G267-Y292 WeakPolarHBondContact O-CD1 3.28Å
268	V	98.5	Very high	95.1	Very high	2 Å²	2	64.4 Å²	64.4	1%	0.012	28%	0.283	C	S	.	.			trans	-114.6	146.6	172.1	172.3	0	0	0	0	108	K255 T256 A270 N273 Y292 E300	K255-V268 WeakPolarHBondContact CA-O 3.2Å; K255-V268 VanDerWaalsContact CB-O 3.29Å; K255-V268 WeakPolarHBondContact CB-O 3.29Å; T256-V268 PolarHBondContact N-O 3.39Å; T256-V268 PolarHBondContact OG1-N 3.36Å; T256-V268 PolarHBondContact OG1-O 3.04Å; V268-A270 PolarHBondContact O-N 3.34Å; V268-A270 VanDerWaalsContact O-N 3.11Å; V268-N273 HydrophobicContact CG1-CB 3.85Å; V268-Y292 HydrophobicContact CB-CD1 4.38Å; V268-Y292 WeakPolarHBondContact CG1-O 3.25Å; V268-Y292 HydrophobicContact CG2-CD1 3.73Å; V268-Y292 HydrophobicContact CG2-CE1 3.65Å; V268-E300 HydrophobicContact CB-CG 3.59Å; V268-E300 WeakPolarHBondContact CB-OE2 3.17Å; V268-E300 HydrophobicContact CG1-CG 3.73Å; V268-E300 HydrophobicContact CG2-CG 4.11Å; V268-E300 WeakPolarHBondContact CG2-OE1 3.43Å
269	D	98.6	Very high	95	Very high	0 Å²	0	65 Å²	65	0%	0	29%	0.287	C	S	.	.			trans	-68.5	106.6	166.3	-170.5	-27.3	0	0	0	108.2	H196 R254 N271 R272 N273 D290 Y292	H196-D269 IonicContact CD2-OD1 3.89Å; H196-D269 IonicContact NE2-OD1 3.45Å; H196-D269 PolarHBondContact NE2-OD1 2.84Å; R254-D269 IonicContact CZ-OD2 3.59Å; R254-D269 IonicContact NE-OD2 2.67Å; R254-D269 PolarHBondContact NE-OD2 3.4Å; R254-D269 VanDerWaalsContact NE-OD2 3.08Å; R254-D269 IonicContact NH2-OD1 3.58Å; R254-D269 IonicContact NH2-OD2 3.43Å; R254-D269 PolarHBondContact NH2-OD2 3.17Å; D269-N271 PolarHBondContact O-N 2.95Å; D269-N271 VanDerWaalsContact O-N 3.11Å; D269-N271 PolarHBondContact OD1-N 3.42Å; D269-R272 HydrophobicContact CB-CB 4.06Å; D269-R272 HydrophobicContact CB-CG 3.86Å; D269-R272 PolarHBondContact O-N 3.45Å; D269-N273 PolarHBondContact O-N 3.05Å; D269-D290 WeakPolarHBondContact CB-O 3.22Å; D269-Y292 PolarHBondContact N-O 3.42Å
270	A	98.6	Very high	94.8	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.008	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-22.2	-178.6	0	0	0	0	0	112.5	I195 F238 T256 V268 W274 V303	I195-A270 HydrophobicContact CD1-CB 4.03Å; I195-A270 HydrophobicContact CG1-CB 3.52Å; F238-A270 HydrophobicContact CE1-CB 4.17Å; T256-A270 HydrophobicContact CG2-CB 4Å; V268-A270 PolarHBondContact O-N 3.34Å; V268-A270 VanDerWaalsContact O-N 3.11Å; A270-W274 PolarHBondContact O-NE1 3.17Å; A270-V303 HydrophobicContact CB-CG2 3.93Å
271	N	98.6	Very high	94.9	Very high	18 Å²	18	64.8 Å²	64.8	10%	0.096	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	17.7	175.3	-155.1	26.3	0	0	0	113.6	I195 H196 D269 G380 S381 S382	I195-N271 HydrophobicContact CD1-CB 4.08Å; H196-N271 WeakPolarHBondContact NE2-CB 3.3Å; D269-N271 PolarHBondContact O-N 2.95Å; D269-N271 VanDerWaalsContact O-N 3.11Å; D269-N271 PolarHBondContact OD1-N 3.42Å; N271-G380 CarbonylContact C-O 3.54Å; N271-S381 WeakPolarHBondContact O-CA 3.39Å; N271-S381 WeakPolarHBondContact OD1-CA 3.18Å; N271-S382 PolarHBondContact OD1-N 2.91Å; N271-S382 PolarHBondContact OD1-OG 3.14Å
272	R	98.4	Very high	95.1	Very high	5 Å²	5	59.4 Å²	59.4	2%	0.019	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-1	164.2	-60.9	-62.7	-179.4	-89.2	-3.6	112.7	S71 D269 G282 A283 C293 S379 G380	S71-R272 PolarHBondContact OG-NH2 3.45Å; S71-R272 VanDerWaalsContact OG-NH2 3.09Å; D269-R272 HydrophobicContact CB-CB 4.06Å; D269-R272 HydrophobicContact CB-CG 3.86Å; D269-R272 PolarHBondContact O-N 3.45Å; R272-G282 PolarHBondContact NE-O 3.24Å; R272-A283 HydrophobicContact CB-CB 3.96Å; R272-A283 HydrophobicContact CG-CB 3.99Å; R272-C293 HydrophobicContact CB-CB 4.18Å; R272-S379 WeakPolarHBondContact CD-O 3.3Å; R272-G380 CarbonylContact C-O 3.47Å; R272-G380 VanDerWaalsContact CA-O 3.32Å; R272-G380 WeakPolarHBondContact CA-O 3.39Å
273	N	98.8	Very high	95.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	23%	0.227	C	C	.	.			trans	-97.4	-0.5	-170.5	-168	-116.2	0	0	0	113.8	V268 D269 C293 F296 P297 E298 S299 E300 V303 G380	V268-N273 HydrophobicContact CG1-CB 3.85Å; D269-N273 PolarHBondContact O-N 3.05Å; N273-C293 PolarHBondContact ND2-O 3.01Å; N273-F296 PolarHBondContact ND2-O 3.24Å; N273-F296 VanDerWaalsContact ND2-O 3.16Å; N273-P297 CarbonylContact O-C 3.55Å; N273-E298 PolarHBondContact O-N 3.29Å; N273-E298 VanDerWaalsContact OD1-CA 3.29Å; N273-E298 WeakPolarHBondContact OD1-CA 3.34Å; N273-E298 PolarHBondContact OD1-N 3.03Å; N273-S299 PolarHBondContact ND2-OG 2.89Å; N273-S299 PolarHBondContact OD1-N 3.33Å; N273-E300 HydrophobicContact CB-CG 4.43Å; N273-E300 PolarHBondContact OD1-N 2.74Å; N273-E300 VanDerWaalsContact OD1-N 3.08Å; N273-V303 HydrophobicContact CB-CG2 4.29Å; N273-G380 PolarHBondContact N-O 3.48Å
274	W	98.7	Very high	95.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-78.4	149.8	-175.4	-63.2	75.3	0	0	0	112.4	F238 A270 V276 V303 V306 A307 G380 S382 W385	F238-W274 HydrophobicContact CE2-CH2 4.31Å; F238-W274 AromaticContact CE2-CZ2 3.8Å; F238-W274 HydrophobicContact CE2-CZ2 3.8Å; F238-W274 HydrophobicContact CZ-CH2 4.45Å; F238-W274 AromaticContact CZ-CZ2 3.73Å; F238-W274 HydrophobicContact CZ-CZ2 3.73Å; A270-W274 PolarHBondContact O-NE1 3.17Å; W274-V276 HydrophobicContact CB-CG1 4.27Å; W274-V276 PolarHBondContact O-N 3.34Å; W274-V303 HydrophobicContact CD2-CG1 3.77Å; W274-V303 HydrophobicContact CE3-CG1 4.17Å; W274-V303 HydrophobicContact CG-CG1 4.09Å; W274-V303 HydrophobicContact CZ2-CG1 4.25Å; W274-V306 HydrophobicContact CH2-CB 4.02Å; W274-V306 HydrophobicContact CH2-CG1 3.73Å; W274-A307 HydrophobicContact CE3-CB 4.29Å; W274-A307 HydrophobicContact CZ3-CB 3.91Å; W274-G380 WeakPolarHBondContact CB-O 3.38Å; W274-G380 VanDerWaalsContact CD1-O 3.24Å; W274-G380 PolarHBondContact N-O 3.36Å; W274-S382 VanDerWaalsContact CZ2-CB 3.45Å; W274-W385 HydrophobicContact CB-CB 3.8Å; W274-W385 HydrophobicContact CB-CG 4.07Å; W274-W385 HydrophobicContact CD2-CB 4.32Å; W274-W385 HydrophobicContact CD2-CG 4.36Å; W274-W385 HydrophobicContact CE3-CB 3.95Å; W274-W385 AromaticContact CE3-CD2 3.47Å; W274-W385 HydrophobicContact CE3-CD2 3.47Å; W274-W385 VanDerWaalsContact CE3-CD2 3.47Å; W274-W385 AromaticContact CE3-CE3 3.66Å; W274-W385 HydrophobicContact CE3-CE3 3.66Å; W274-W385 AromaticContact CE3-CG 3.6Å; W274-W385 HydrophobicContact CE3-CG 3.6Å; W274-W385 HydrophobicContact CE3-CZ3 4.42Å; W274-W385 HydrophobicContact CG-CB 4.31Å; W274-W385 AromaticContact CZ3-CD2 3.82Å; W274-W385 HydrophobicContact CZ3-CD2 3.82Å; W274-W385 AromaticContact CZ3-CE3 3.52Å; W274-W385 HydrophobicContact CZ3-CE3 3.52Å; W274-W385 HydrophobicContact CZ3-CG 4.4Å; W274-W385 HydrophobicContact CZ3-CH2 4.46Å; W274-W385 AromaticContact CZ3-CZ3 3.9Å; W274-W385 HydrophobicContact CZ3-CZ3 3.9Å
275	K	98	Very high	96	Very high	140 Å²	140	40.6 Å²	40.6	61%	0.609	20%	0.2	S	C	*	.	S	Bend	trans	-74.2	58	-179.5	-163.3	178.1	178.4	176.9	0	113	P297 E298	K275-P297 HydrophobicContact CB-CB 3.89Å; K275-P297 HydrophobicContact CG-CB 4Å; K275-P297 HydrophobicContact CG-CG 4.13Å; K275-E298 HydrophobicContact CB-CG 4.15Å; K275-E298 WeakPolarHBondContact CB-OE1 3.18Å
276	V	97.4	Very high	96.1	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	21%	0.208	C	C	.	.	S	Bend	trans	-142.5	108.7	175.6	61.4	0	0	0	0	108.5	W274 W278 Y336 G380 S381 D384 W385 K388	W274-V276 HydrophobicContact CB-CG1 4.27Å; W274-V276 PolarHBondContact O-N 3.34Å; V276-W278 PolarHBondContact O-N 2.99Å; V276-Y336 HydrophobicContact CG2-CD1 3.88Å; V276-Y336 HydrophobicContact CG2-CE1 3.65Å; V276-G380 WeakPolarHBondContact O-CA 3.43Å; V276-G380 PolarHBondContact O-N 3.49Å; V276-G380 VanDerWaalsContact O-N 3.08Å; V276-S381 WeakPolarHBondContact CG1-O 3.35Å; V276-D384 HydrophobicContact CG1-CB 4.02Å; V276-D384 HydrophobicContact CG2-CB 4.11Å; V276-W385 HydrophobicContact CB-CB 4.15Å; V276-W385 HydrophobicContact CG1-CB 3.7Å; V276-K388 HydrophobicContact CG2-CB 4.48Å; V276-K388 HydrophobicContact CG2-CD 3.82Å
277	K	96.6	Very high	96.1	Very high	110 Å²	110	40.1 Å²	40.1	48%	0.478	20%	0.198	S	C	.	.	S	Bend	trans	46.9	40.3	-175.3	-68.8	-65.9	-163	162	0	112.4	C279 D280 Y336 S379	K277-C279 PolarHBondContact O-N 3.42Å; K277-D280 VanDerWaalsContact O-CB 3.31Å; K277-D280 WeakPolarHBondContact O-CB 3.41Å; K277-D280 PolarHBondContact O-N 2.74Å; K277-Y336 HydrophobicContact CB-CD1 4.33Å; K277-Y336 HydrophobicContact CB-CD2 4.13Å; K277-Y336 HydrophobicContact CB-CG 3.93Å; K277-Y336 HydrophobicContact CD-CD2 4.45Å; K277-Y336 HydrophobicContact CG-CD1 4.13Å; K277-Y336 HydrophobicContact CG-CD2 3.47Å; K277-Y336 VanDerWaalsContact CG-CD2 3.47Å; K277-Y336 HydrophobicContact CG-CE1 4.4Å; K277-Y336 HydrophobicContact CG-CE2 3.67Å; K277-Y336 HydrophobicContact CG-CG 3.74Å; K277-S379 WeakPolarHBondContact O-CB 3.33Å
278	W	97.4	Very high	95.8	Very high	66 Å²	66	42 Å²	42	25%	0.25	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	134.1	-166.2	169.3	78.8	0	0	0	112.7	V276 D280 M285 C293 G294 F296 P297	V276-W278 PolarHBondContact O-N 2.99Å; W278-D280 PolarHBondContact O-N 2.94Å; W278-M285 HydrophobicContact CH2-SD 4.44Å; W278-C293 PolarHBondContact NE1-O 3.31Å; W278-G294 VanDerWaalsContact CZ2-O 3.31Å; W278-G294 WeakPolarHBondContact CZ2-O 3.49Å; W278-F296 VanDerWaalsContact CE2-C 3.5Å; W278-F296 VanDerWaalsContact CZ2-C 3.48Å; W278-P297 HydrophobicContact CB-CB 3.82Å; W278-P297 HydrophobicContact CB-CG 4.36Å; W278-P297 HydrophobicContact CD2-CB 4.05Å; W278-P297 HydrophobicContact CD2-CG 4.21Å; W278-P297 HydrophobicContact CE3-CG 4.46Å; W278-P297 HydrophobicContact CG-CB 3.59Å; W278-P297 HydrophobicContact CG-CG 4.18Å
279	C	95.9	Very high	95.5	Very high	24 Å²	24	45 Å²	45	16%	0.162	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	27.5	177.5	-143.9	0	0	0	0	115.9	K277 M285 C293 S379	K277-C279 PolarHBondContact O-N 3.42Å; C279-M285 HydrophobicContact CB-SD 4.17Å; C279-M285 PolarHBondContact SG-SD 3.37Å; C279-C293 HydrophobicContact CB-CB 3.53Å; C279-C293 WeakPolarHBondContact CB-SG 3.05Å; C279-C293 WeakPolarHBondContact SG-CB 3.08Å; C279-C293 CovalentContact SG-SG 2.01Å; C279-C293 PolarHBondContact SG-SG 3.38Å; C279-S379 PolarHBondContact N-OG 3.45Å
280	D	92.6	Very high	95.2	Very high	92 Å²	92	47.3 Å²	47.3	49%	0.492	24%	0.239	S	C	.	.	S	Bend	trans	-79.2	-155.1	165.7	-156.9	-12.4	0	0	0	109	K277 W278 G282 A283 S379	K277-D280 VanDerWaalsContact O-CB 3.31Å; K277-D280 WeakPolarHBondContact O-CB 3.41Å; K277-D280 PolarHBondContact O-N 2.74Å; W278-D280 PolarHBondContact O-N 2.94Å; D280-G282 PolarHBondContact O-N 3.39Å; D280-A283 PolarHBondContact O-N 3.37Å; D280-S379 PolarHBondContact N-OG 2.93Å; D280-S379 PolarHBondContact O-OG 2.97Å; D280-S379 VanDerWaalsContact O-OG 3.05Å
281	E	91.8	Very high	95	Very high	110 Å²	110	47.6 Å²	47.6	51%	0.514	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.2	129.4	177.5	-168.8	177.6	168.3	0	0	113.2	V377 S379	E281-V377 HydrophobicContact CB-CG1 4.1Å; E281-V377 HydrophobicContact CG-CG1 3.93Å; E281-S379 WeakPolarHBondContact O-CB 3.2Å; E281-S379 PolarHBondContact O-N 3.42Å; E281-S379 PolarHBondContact O-OG 3.3Å
282	G	88.1	Confident	95	Very high	10 Å²	10	47.5 Å²	47.5	10%	0.103	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.3	11.4	169.5	0	0	0	0	0	117.8	Y75 R272 D280	Y75-G282 VanDerWaalsContact CZ-CA 3.47Å; Y75-G282 WeakPolarHBondContact OH-CA 3.48Å; Y75-G282 PolarHBondContact OH-O 2.92Å; R272-G282 PolarHBondContact NE-O 3.24Å; D280-G282 PolarHBondContact O-N 3.39Å
283	A	93.8	Very high	94.9	Very high	23 Å²	23	47.3 Å²	47.3	19%	0.19	24%	0.238	C	C	.	.			trans	-123.3	165.1	164.1	0	0	0	0	0	110.1	R272 D280 C293	R272-A283 HydrophobicContact CB-CB 3.96Å; R272-A283 HydrophobicContact CG-CB 3.99Å; D280-A283 PolarHBondContact O-N 3.37Å; A283-C293 HydrophobicContact CB-CB 3.79Å
284	S	94.5	Very high	94.9	Very high	18 Å²	18	47.3 Å²	47.3	13%	0.126	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-111.4	143.3	175.3	178.5	0	0	0	0	111.4	H286 D289 T291 Y292 C293	S284-H286 VanDerWaalsContact C-N 3.33Å; S284-H286 WeakPolarHBondContact OG-CB 3.44Å; S284-H286 PolarHBondContact OG-N 3.12Å; S284-D289 VanDerWaalsContact CB-OD2 3.28Å; S284-D289 WeakPolarHBondContact CB-OD2 3.13Å; S284-D289 PolarHBondContact OG-OD2 2.8Å; S284-T291 PolarHBondContact N-O 2.91Å; S284-Y292 CarbonylContact O-C 3.5Å; S284-Y292 VanDerWaalsContact O-CA 3.25Å; S284-Y292 WeakPolarHBondContact O-CA 3.42Å; S284-Y292 WeakPolarHBondContact O-CD2 3.29Å; S284-C293 PolarHBondContact O-N 3.45Å; S284-C293 PolarHBondContact O-SG 2.93Å
285	M	94.8	Very high	94.8	Very high	127 Å²	127	51 Å²	51	63%	0.626	26%	0.263	S	S	*	.	S	Bend	trans	-84.1	-9.7	167.9	-75.4	-68.4	-78.9	0	0	112.5	W278 C279 P287 Y292 C293	W278-M285 HydrophobicContact CH2-SD 4.44Å; C279-M285 HydrophobicContact CB-SD 4.17Å; C279-M285 PolarHBondContact SG-SD 3.37Å; M285-P287 WeakPolarHBondContact O-CD 3.12Å; M285-Y292 VanDerWaalsContact O-CE2 3.28Å; M285-Y292 WeakPolarHBondContact O-CE2 3.3Å; M285-C293 VanDerWaalsContact SD-SG 3.65Å
286	H	94.4	Very high	94.8	Very high	83 Å²	83	49.9 Å²	49.9	38%	0.384	26%	0.258	S	S	.	.	S	Bend	trans	-87.8	119.6	-175.2	-174.1	-97.9	0	0	0	111.5	F263 S284 C288 D289 Y292	F263-H286 AromaticContact CE1-NE2 3.96Å; S284-H286 VanDerWaalsContact C-N 3.33Å; S284-H286 WeakPolarHBondContact OG-CB 3.44Å; S284-H286 PolarHBondContact OG-N 3.12Å; H286-C288 PolarHBondContact O-N 3.38Å; H286-D289 IonicContact CE1-OD1 3.83Å; H286-D289 IonicContact CG-OD1 2.76Å; H286-D289 IonicContact ND1-OD1 3.41Å; H286-D289 PolarHBondContact ND1-OD1 2.95Å; H286-D289 WeakPolarHBondContact O-CB 3.49Å; H286-D289 PolarHBondContact O-N 2.9Å; H286-Y292 WeakPolarHBondContact O-CB 3.09Å
287	P	95.1	Very high	94.8	Very high	10 Å²	10	51.7 Å²	51.7	7%	0.065	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.2	-169.9	-30.2	39.8	0	0	0	116.9	K255 N260 F263 M285 Y292	K255-P287 PolarHBondContact NZ-O 2.89Å; N260-P287 HydrophobicContact CB-CB 4.36Å; N260-P287 WeakPolarHBondContact ND2-CB 3.43Å; N260-P287 WeakPolarHBondContact ND2-CG 3.41Å; F263-P287 HydrophobicContact CB-CB 4.18Å; F263-P287 HydrophobicContact CD2-CB 4.05Å; F263-P287 HydrophobicContact CD2-CG 3.54Å; F263-P287 HydrophobicContact CE2-CG 3.85Å; F263-P287 HydrophobicContact CG-CB 4.17Å; F263-P287 HydrophobicContact CG-CG 4.13Å; M285-P287 WeakPolarHBondContact O-CD 3.12Å; P287-Y292 HydrophobicContact CB-CD1 4.29Å; P287-Y292 HydrophobicContact CB-CE1 4.07Å; P287-Y292 HydrophobicContact CB-CE2 4.4Å; P287-Y292 HydrophobicContact CG-CD2 4.47Å; P287-Y292 HydrophobicContact CG-CE1 4.31Å; P287-Y292 HydrophobicContact CG-CE2 3.96Å
288	C	92	Very high	94.9	Very high	43 Å²	43	46.8 Å²	46.8	29%	0.291	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-17.5	178.4	-61.6	0	0	0	0	113.7	C265 H286	C265-C288 HydrophobicContact CB-CB 3.84Å; C265-C288 WeakPolarHBondContact CB-SG 3.43Å; C265-C288 WeakPolarHBondContact SG-CA 3.27Å; C265-C288 WeakPolarHBondContact SG-CB 3.37Å; C265-C288 CovalentContact SG-SG 2.03Å; C265-C288 PolarHBondContact SG-SG 3.16Å; H286-C288 PolarHBondContact O-N 3.38Å
289	D	92.3	Very high	95	Very high	63 Å²	63	44.7 Å²	44.7	34%	0.337	24%	0.244	S	C	.	.	S	Bend	trans	-75.5	147.5	-175	-61.1	8.4	0	0	0	110.1	K255 S284 H286 T291 Y292	K255-D289 WeakPolarHBondContact CD-O 3.34Å; K255-D289 WeakPolarHBondContact CE-O 3.37Å; K255-D289 PolarHBondContact NZ-O 3.41Å; S284-D289 VanDerWaalsContact CB-OD2 3.28Å; S284-D289 WeakPolarHBondContact CB-OD2 3.13Å; S284-D289 PolarHBondContact OG-OD2 2.8Å; H286-D289 IonicContact CE1-OD1 3.83Å; H286-D289 IonicContact CG-OD1 2.76Å; H286-D289 IonicContact ND1-OD1 3.41Å; H286-D289 PolarHBondContact ND1-OD1 2.95Å; H286-D289 WeakPolarHBondContact O-CB 3.49Å; H286-D289 PolarHBondContact O-N 2.9Å; D289-T291 PolarHBondContact O-N 2.89Å; D289-Y292 VanDerWaalsContact O-CB 3.31Å; D289-Y292 WeakPolarHBondContact O-CB 3.2Å; D289-Y292 PolarHBondContact O-N 3.07Å
290	D	91.6	Very high	95.1	Very high	49 Å²	49	43.8 Å²	43.8	26%	0.262	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-16.3	-177.4	-71.5	-41.1	0	0	0	113.3	D269	D269-D290 WeakPolarHBondContact CB-O 3.22Å
291	T	95.1	Very high	95.4	Very high	8 Å²	8	41.4 Å²	41.4	5%	0.049	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	18	172.6	56	0	0	0	0	113	S71 S284 D289 C293	S71-T291 WeakPolarHBondContact O-CG2 3.46Å; S284-T291 PolarHBondContact N-O 2.91Å; D289-T291 PolarHBondContact O-N 2.89Å; T291-C293 PolarHBondContact O-N 3.11Å
292	Y	96.9	Very high	95.7	Very high	16 Å²	16	36.2 Å²	36.2	6%	0.063	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-54.8	121.4	177.8	175	-129.2	0	0	0	111.2	G267 V268 D269 S284 M285 H286 P287 D289 G294	G267-Y292 WeakPolarHBondContact O-CD1 3.28Å; V268-Y292 HydrophobicContact CB-CD1 4.38Å; V268-Y292 WeakPolarHBondContact CG1-O 3.25Å; V268-Y292 HydrophobicContact CG2-CD1 3.73Å; V268-Y292 HydrophobicContact CG2-CE1 3.65Å; D269-Y292 PolarHBondContact N-O 3.42Å; S284-Y292 CarbonylContact O-C 3.5Å; S284-Y292 VanDerWaalsContact O-CA 3.25Å; S284-Y292 WeakPolarHBondContact O-CA 3.42Å; S284-Y292 WeakPolarHBondContact O-CD2 3.29Å; M285-Y292 VanDerWaalsContact O-CE2 3.28Å; M285-Y292 WeakPolarHBondContact O-CE2 3.3Å; H286-Y292 WeakPolarHBondContact O-CB 3.09Å; P287-Y292 HydrophobicContact CB-CD1 4.29Å; P287-Y292 HydrophobicContact CB-CE1 4.07Å; P287-Y292 HydrophobicContact CB-CE2 4.4Å; P287-Y292 HydrophobicContact CG-CD2 4.47Å; P287-Y292 HydrophobicContact CG-CE1 4.31Å; P287-Y292 HydrophobicContact CG-CE2 3.96Å; D289-Y292 VanDerWaalsContact O-CB 3.31Å; D289-Y292 WeakPolarHBondContact O-CB 3.2Å; D289-Y292 PolarHBondContact O-N 3.07Å; Y292-G294 VanDerWaalsContact C-N 3.32Å; Y292-G294 VanDerWaalsContact CZ-C 3.47Å; Y292-G294 VanDerWaalsContact CZ-CA 3.48Å; Y292-G294 PolarHBondContact O-N 2.9Å; Y292-G294 VanDerWaalsContact OH-C 3.27Å
293	C	97.6	Very high	96.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.198	C	C	.	.			trans	-80.7	-7.4	-173	64.6	0	0	0	0	114.9	R272 N273 W278 C279 A283 S284 M285 T291	R272-C293 HydrophobicContact CB-CB 4.18Å; N273-C293 PolarHBondContact ND2-O 3.01Å; W278-C293 PolarHBondContact NE1-O 3.31Å; C279-C293 HydrophobicContact CB-CB 3.53Å; C279-C293 WeakPolarHBondContact CB-SG 3.05Å; C279-C293 WeakPolarHBondContact SG-CB 3.08Å; C279-C293 CovalentContact SG-SG 2.01Å; C279-C293 PolarHBondContact SG-SG 3.38Å; A283-C293 HydrophobicContact CB-CB 3.79Å; S284-C293 PolarHBondContact O-N 3.45Å; S284-C293 PolarHBondContact O-SG 2.93Å; M285-C293 VanDerWaalsContact SD-SG 3.65Å; T291-C293 PolarHBondContact O-N 3.11Å
294	G	97.6	Very high	96.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.206	C	C	.	.			trans	95.7	176.5	-176.8	0	0	0	0	0	113.2	W278 Y292	W278-G294 VanDerWaalsContact CZ2-O 3.31Å; W278-G294 WeakPolarHBondContact CZ2-O 3.49Å; Y292-G294 VanDerWaalsContact C-N 3.32Å; Y292-G294 VanDerWaalsContact CZ-C 3.47Å; Y292-G294 VanDerWaalsContact CZ-CA 3.48Å; Y292-G294 PolarHBondContact O-N 2.9Å; Y292-G294 VanDerWaalsContact OH-C 3.27Å
295	P	96.9	Very high	96.7	Very high	78 Å²	78	38.3 Å²	38.3	51%	0.506	20%	0.204	S	C	.	.	S	Bend	trans	-75.6	-23.3	177.5	28.9	-36.2	0	0	0	114	S299	P295-S299 WeakPolarHBondContact CD-OG 3.5Å
296	F	97.9	Very high	96.9	Very high	116 Å²	116	32.2 Å²	32.2	51%	0.509	17%	0.174	S	C	.	.	S	Bend	trans	-162.7	162.7	178	55.1	-95.6	0	0	0	109.5	N273 W278 S299	N273-F296 PolarHBondContact ND2-O 3.24Å; N273-F296 VanDerWaalsContact ND2-O 3.16Å; W278-F296 VanDerWaalsContact CE2-C 3.5Å; W278-F296 VanDerWaalsContact CZ2-C 3.48Å; F296-S299 VanDerWaalsContact O-CB 3.27Å; F296-S299 WeakPolarHBondContact O-CB 3.45Å; F296-S299 PolarHBondContact O-N 3.42Å; F296-S299 PolarHBondContact O-OG 3.42Å
297	P	98.4	Very high	97.1	Very high	39 Å²	39	28.3 Å²	28.3	25%	0.253	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	138	179.3	24.6	-32.8	0	0	0	112.2	N273 K275 W278 S299	N273-P297 CarbonylContact O-C 3.55Å; K275-P297 HydrophobicContact CB-CB 3.89Å; K275-P297 HydrophobicContact CG-CB 4Å; K275-P297 HydrophobicContact CG-CG 4.13Å; W278-P297 HydrophobicContact CB-CB 3.82Å; W278-P297 HydrophobicContact CB-CG 4.36Å; W278-P297 HydrophobicContact CD2-CB 4.05Å; W278-P297 HydrophobicContact CD2-CG 4.21Å; W278-P297 HydrophobicContact CE3-CG 4.46Å; W278-P297 HydrophobicContact CG-CB 3.59Å; W278-P297 HydrophobicContact CG-CG 4.18Å; P297-S299 VanDerWaalsContact C-N 3.25Å; P297-S299 PolarHBondContact O-N 2.88Å
298	E	98.6	Very high	97.3	Very high	7 Å²	7	31.6 Å²	31.6	3%	0.033	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	35.4	-174.1	-52.4	174.5	-166.3	0	0	112.3	N273 K275 E300 V303 K304 A307 R311 W385	N273-E298 PolarHBondContact O-N 3.29Å; N273-E298 VanDerWaalsContact OD1-CA 3.29Å; N273-E298 WeakPolarHBondContact OD1-CA 3.34Å; N273-E298 PolarHBondContact OD1-N 3.03Å; K275-E298 HydrophobicContact CB-CG 4.15Å; K275-E298 WeakPolarHBondContact CB-OE1 3.18Å; E298-E300 VanDerWaalsContact C-N 3.32Å; E298-V303 HydrophobicContact CB-CG1 4.43Å; E298-V303 HydrophobicContact CG-CG1 4.26Å; E298-K304 HydrophobicContact CB-CD 3.82Å; E298-K304 WeakPolarHBondContact OE2-CD 3.47Å; E298-K304 IonicContact OE2-NZ 2.93Å; E298-K304 PolarHBondContact OE2-NZ 3.47Å; E298-A307 HydrophobicContact CG-CB 4.41Å; E298-R311 VanDerWaalsContact CD-NH1 3.33Å; E298-R311 IonicContact OE1-CZ 2.78Å; E298-R311 IonicContact OE1-NH1 2.72Å; E298-R311 PolarHBondContact OE1-NH1 3.49Å; E298-R311 IonicContact OE1-NH2 3.6Å; E298-R311 IonicContact OE2-CZ 3.94Å; E298-R311 IonicContact OE2-NH1 3.12Å; E298-R311 PolarHBondContact OE2-NH1 2.71Å; E298-R311 VanDerWaalsContact OE2-NH1 3.12Å; E298-R311 IonicContact OE2-NH2 3.78Å; E298-R311 PolarHBondContact OE2-NH2 3.27Å; E298-W385 PolarHBondContact OE1-NE1 3.21Å
299	S	98.6	Very high	97.6	Very high	22 Å²	22	30.3 Å²	30.3	15%	0.154	16%	0.163	C	C	.	.			trans	-67.7	-32	173.2	64	0	0	0	0	113.1	N273 P295 F296 P297	N273-S299 PolarHBondContact ND2-OG 2.89Å; N273-S299 PolarHBondContact OD1-N 3.33Å; P295-S299 WeakPolarHBondContact CD-OG 3.5Å; F296-S299 VanDerWaalsContact O-CB 3.27Å; F296-S299 WeakPolarHBondContact O-CB 3.45Å; F296-S299 PolarHBondContact O-N 3.42Å; F296-S299 PolarHBondContact O-OG 3.42Å; P297-S299 VanDerWaalsContact C-N 3.25Å; P297-S299 PolarHBondContact O-N 2.88Å
300	E	98.8	Very high	97.9	Very high	6 Å²	6	27.4 Å²	27.4	3%	0.028	15%	0.147	C	C	.	.	S	Bend	trans	-78	127.2	-176.9	-57.3	-48.2	95.5	0	0	109.7	T256 S258 V268 N273 E298 E302 V303 K304	T256-E300 WeakPolarHBondContact CB-OE2 3.35Å; T256-E300 HydrophobicContact CG2-CB 4.2Å; T256-E300 HydrophobicContact CG2-CG 3.93Å; T256-E300 PolarHBondContact OG1-OE2 2.91Å; S258-E300 VanDerWaalsContact CB-OE2 3.24Å; S258-E300 WeakPolarHBondContact CB-OE2 3.29Å; S258-E300 PolarHBondContact OG-OE2 3.13Å; V268-E300 HydrophobicContact CB-CG 3.59Å; V268-E300 WeakPolarHBondContact CB-OE2 3.17Å; V268-E300 HydrophobicContact CG1-CG 3.73Å; V268-E300 HydrophobicContact CG2-CG 4.11Å; V268-E300 WeakPolarHBondContact CG2-OE1 3.43Å; N273-E300 HydrophobicContact CB-CG 4.43Å; N273-E300 PolarHBondContact OD1-N 2.74Å; N273-E300 VanDerWaalsContact OD1-N 3.08Å; E298-E300 VanDerWaalsContact C-N 3.32Å; E300-E302 PolarHBondContact O-N 2.92Å; E300-V303 HydrophobicContact CB-CB 4.14Å; E300-V303 HydrophobicContact CB-CG2 3.95Å; E300-V303 PolarHBondContact O-N 3.16Å; E300-K304 WeakPolarHBondContact O-CB 3.01Å; E300-K304 PolarHBondContact O-N 3.19Å
301	P	98.8	Very high	98.1	Very high	42 Å²	42	28.5 Å²	28.5	27%	0.273	15%	0.147	S	C	.	.	H	α-helix	trans	-61.3	-28.8	-177	25.4	-34.6	0	0	0	112.4	A305	P301-A305 VanDerWaalsContact O-CB 3.28Å; P301-A305 WeakPolarHBondContact O-CB 3.43Å; P301-A305 PolarHBondContact O-N 3.07Å
302	E	98.9	Very high	98.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.1	-51.7	172.5	-55.4	81.1	-178.5	0	0	111.4	S168 Y169 L174 F238 E300 K304 A305 V306	S168-E302 VanDerWaalsContact CA-OE1 3.31Å; S168-E302 WeakPolarHBondContact CA-OE1 3.39Å; S168-E302 WeakPolarHBondContact CB-OE1 3.08Å; Y169-E302 PolarHBondContact N-OE1 3.47Å; L174-E302 HydrophobicContact CD1-CB 4.39Å; L174-E302 HydrophobicContact CD1-CG 4.42Å; L174-E302 HydrophobicContact CD2-CG 4.08Å; F238-E302 HydrophobicContact CD1-CB 4.21Å; F238-E302 HydrophobicContact CE1-CB 3.84Å; E300-E302 PolarHBondContact O-N 2.92Å; E302-K304 VanDerWaalsContact C-N 3.33Å; E302-K304 PolarHBondContact O-N 3.18Å; E302-A305 PolarHBondContact O-N 2.96Å; E302-V306 PolarHBondContact O-N 3.24Å
303	V	98.9	Very high	98.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.4	-43.2	176.9	175.6	0	0	0	0	110.5	F238 A270 N273 W274 E298 E300 A305 V306 A307	F238-V303 HydrophobicContact CE1-CG2 3.94Å; F238-V303 HydrophobicContact CZ-CB 4.48Å; F238-V303 HydrophobicContact CZ-CG2 3.96Å; A270-V303 HydrophobicContact CB-CG2 3.93Å; N273-V303 HydrophobicContact CB-CG2 4.29Å; W274-V303 HydrophobicContact CD2-CG1 3.77Å; W274-V303 HydrophobicContact CE3-CG1 4.17Å; W274-V303 HydrophobicContact CG-CG1 4.09Å; W274-V303 HydrophobicContact CZ2-CG1 4.25Å; E298-V303 HydrophobicContact CB-CG1 4.43Å; E298-V303 HydrophobicContact CG-CG1 4.26Å; E300-V303 HydrophobicContact CB-CB 4.14Å; E300-V303 HydrophobicContact CB-CG2 3.95Å; E300-V303 PolarHBondContact O-N 3.16Å; V303-A305 PolarHBondContact O-N 3.31Å; V303-V306 PolarHBondContact O-N 2.99Å; V303-A307 VanDerWaalsContact O-CB 3.24Å; V303-A307 WeakPolarHBondContact O-CB 3.44Å; V303-A307 PolarHBondContact O-N 3.11Å
304	K	98.9	Very high	97.7	Very high	85 Å²	85	44.2 Å²	44.2	37%	0.37	21%	0.212	S	C	.	.	H	α-helix	trans	-62.1	-43.3	179.6	-170.1	67.2	-177.6	-177.1	0	112.3	E298 E300 E302 A307 N308	E298-K304 HydrophobicContact CB-CD 3.82Å; E298-K304 WeakPolarHBondContact OE2-CD 3.47Å; E298-K304 IonicContact OE2-NZ 2.93Å; E298-K304 PolarHBondContact OE2-NZ 3.47Å; E300-K304 WeakPolarHBondContact O-CB 3.01Å; E300-K304 PolarHBondContact O-N 3.19Å; E302-K304 VanDerWaalsContact C-N 3.33Å; E302-K304 PolarHBondContact O-N 3.18Å; K304-A307 PolarHBondContact O-N 2.83Å; K304-N308 VanDerWaalsContact O-CB 3.31Å; K304-N308 WeakPolarHBondContact O-CB 3.35Å; K304-N308 PolarHBondContact O-N 3.05Å; K304-N308 PolarHBondContact O-ND2 2.89Å
305	A	98.9	Very high	97.3	Very high	10 Å²	10	51.9 Å²	51.9	8%	0.083	25%	0.245	C	C	.	.	H	α-helix	trans	-61.6	-47.8	179.1	0	0	0	0	0	111.5	I165 L174 P301 E302 V303 N308 F309	I165-A305 HydrophobicContact CD1-CB 4.42Å; I165-A305 HydrophobicContact CG1-CB 4.37Å; L174-A305 HydrophobicContact CD1-CB 3.61Å; P301-A305 VanDerWaalsContact O-CB 3.28Å; P301-A305 WeakPolarHBondContact O-CB 3.43Å; P301-A305 PolarHBondContact O-N 3.07Å; E302-A305 PolarHBondContact O-N 2.96Å; V303-A305 PolarHBondContact O-N 3.31Å; A305-N308 PolarHBondContact O-N 2.78Å; A305-F309 PolarHBondContact O-N 2.87Å
306	V	98.9	Very high	97.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-67.1	-44.8	178.5	-179.7	0	0	0	0	111.2	I165 W190 M235 F238 W274 E302 V303 N308 F309 L310	I165-V306 HydrophobicContact CD1-CG2 3.82Å; W190-V306 HydrophobicContact CH2-CG1 4.06Å; W190-V306 HydrophobicContact CH2-CG2 4.31Å; W190-V306 HydrophobicContact CZ2-CB 4.4Å; W190-V306 HydrophobicContact CZ2-CG1 3.48Å; W190-V306 VanDerWaalsContact CZ2-CG1 3.48Å; W190-V306 HydrophobicContact CZ2-CG2 4.02Å; M235-V306 HydrophobicContact CE-CG2 4.38Å; M235-V306 HydrophobicContact SD-CG2 3.66Å; F238-V306 HydrophobicContact CD2-CG2 3.98Å; F238-V306 HydrophobicContact CE2-CB 3.88Å; F238-V306 HydrophobicContact CE2-CG1 4.12Å; F238-V306 HydrophobicContact CE2-CG2 3.5Å; F238-V306 VanDerWaalsContact CE2-CG2 3.5Å; F238-V306 HydrophobicContact CZ-CB 4.33Å; F238-V306 HydrophobicContact CZ-CG2 4.06Å; W274-V306 HydrophobicContact CH2-CB 4.02Å; W274-V306 HydrophobicContact CH2-CG1 3.73Å; E302-V306 PolarHBondContact O-N 3.24Å; V303-V306 PolarHBondContact O-N 2.99Å; V306-N308 VanDerWaalsContact C-N 3.3Å; V306-N308 PolarHBondContact O-N 3.43Å; V306-F309 PolarHBondContact O-N 2.9Å; V306-F309 VanDerWaalsContact O-N 3.14Å; V306-L310 HydrophobicContact CG1-CD1 3.74Å; V306-L310 HydrophobicContact CG1-CG 4.03Å; V306-L310 WeakPolarHBondContact O-CB 3.42Å; V306-L310 WeakPolarHBondContact O-CG 3.45Å; V306-L310 PolarHBondContact O-N 2.91Å
307	A	98.8	Very high	97.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.7	-41.2	176.8	0	0	0	0	0	112.1	W274 E298 V303 K304 R311 W385	W274-A307 HydrophobicContact CE3-CB 4.29Å; W274-A307 HydrophobicContact CZ3-CB 3.91Å; E298-A307 HydrophobicContact CG-CB 4.41Å; V303-A307 VanDerWaalsContact O-CB 3.24Å; V303-A307 WeakPolarHBondContact O-CB 3.44Å; V303-A307 PolarHBondContact O-N 3.11Å; K304-A307 PolarHBondContact O-N 2.83Å; A307-R311 WeakPolarHBondContact O-CB 3.31Å; A307-R311 WeakPolarHBondContact O-CG 3.4Å; A307-R311 PolarHBondContact O-N 2.83Å; A307-R311 PolarHBondContact O-NE 3.35Å; A307-W385 HydrophobicContact CB-CH2 4.04Å; A307-W385 HydrophobicContact CB-CZ2 3.7Å; A307-W385 WeakPolarHBondContact O-CH2 3.36Å
308	N	98.6	Very high	97	Very high	79 Å²	79	50.2 Å²	50.2	42%	0.422	23%	0.225	S	C	.	.	H	α-helix	trans	-63.6	-45.7	174.3	-75.1	-13.3	0	0	0	112.1	K304 A305 V306 R311 K312	K304-N308 VanDerWaalsContact O-CB 3.31Å; K304-N308 WeakPolarHBondContact O-CB 3.35Å; K304-N308 PolarHBondContact O-N 3.05Å; K304-N308 PolarHBondContact O-ND2 2.89Å; A305-N308 PolarHBondContact O-N 2.78Å; V306-N308 VanDerWaalsContact C-N 3.3Å; V306-N308 PolarHBondContact O-N 3.43Å; N308-R311 PolarHBondContact OD1-NH2 3.11Å; N308-K312 WeakPolarHBondContact O-CB 3.24Å; N308-K312 PolarHBondContact O-N 3.29Å
309	F	98.6	Very high	96.9	Very high	17 Å²	17	49.9 Å²	49.9	8%	0.075	22%	0.224	C	C	.	.	H	α-helix	trans	-60.6	-48.6	177.8	-178.1	-90.7	0	0	0	111.7	F163 I165 I176 W190 Y233 A305 V306 K312 H313 I317	F163-F309 AromaticContact CE2-CE2 3.88Å; F163-F309 HydrophobicContact CE2-CE2 3.88Å; F163-F309 HydrophobicContact CZ-CE2 4.03Å; F163-F309 HydrophobicContact CZ-CZ 4.4Å; I165-F309 HydrophobicContact CD1-CB 4.33Å; I165-F309 HydrophobicContact CG2-CB 4.48Å; I165-F309 HydrophobicContact CG2-CD2 3.57Å; I165-F309 HydrophobicContact CG2-CE2 4.09Å; I165-F309 HydrophobicContact CG2-CG 4.17Å; I176-F309 HydrophobicContact CD1-CD2 4.28Å; I176-F309 HydrophobicContact CD1-CE1 4.16Å; I176-F309 HydrophobicContact CD1-CE2 3.78Å; I176-F309 HydrophobicContact CD1-CZ 3.72Å; W190-F309 AromaticContact CE3-CD1 3.84Å; W190-F309 HydrophobicContact CE3-CD1 3.84Å; W190-F309 AromaticContact CE3-CE1 3.73Å; W190-F309 HydrophobicContact CE3-CE1 3.73Å; W190-F309 HydrophobicContact CH2-CD1 4.32Å; W190-F309 AromaticContact CZ3-CD1 3.45Å; W190-F309 HydrophobicContact CZ3-CD1 3.45Å; W190-F309 VanDerWaalsContact CZ3-CD1 3.45Å; W190-F309 AromaticContact CZ3-CE1 3.53Å; W190-F309 HydrophobicContact CZ3-CE1 3.53Å; W190-F309 HydrophobicContact CZ3-CG 4.33Å; W190-F309 HydrophobicContact CZ3-CZ 4.44Å; Y233-F309 HydrophobicContact CD1-CE1 4.19Å; Y233-F309 AromaticContact CD1-CZ 3.66Å; Y233-F309 HydrophobicContact CD1-CZ 3.66Å; Y233-F309 HydrophobicContact CD2-CE1 4.3Å; Y233-F309 HydrophobicContact CD2-CZ 4.35Å; Y233-F309 AromaticContact CE1-CZ 3.7Å; Y233-F309 HydrophobicContact CE1-CZ 3.7Å; Y233-F309 HydrophobicContact CE2-CZ 4.41Å; Y233-F309 HydrophobicContact CG-CE1 4.05Å; Y233-F309 AromaticContact CG-CZ 3.98Å; Y233-F309 HydrophobicContact CG-CZ 3.98Å; A305-F309 PolarHBondContact O-N 2.87Å; V306-F309 PolarHBondContact O-N 2.9Å; V306-F309 VanDerWaalsContact O-N 3.14Å; F309-K312 PolarHBondContact O-N 2.72Å; F309-H313 AromaticContact CD2-CE1 3.7Å; F309-H313 AromaticContact CD2-ND1 3.8Å; F309-H313 AromaticContact CE1-ND1 3.89Å; F309-H313 AromaticContact CE2-CE1 3.36Å; F309-H313 WeakPolarHBondContact CE2-CE1 3.08Å; F309-H313 AromaticContact CE2-ND1 3.65Å; F309-H313 AromaticContact CG-ND1 3.99Å; F309-H313 AromaticContact CZ-CE1 3.74Å; F309-H313 AromaticContact CZ-ND1 3.69Å; F309-H313 PolarHBondContact O-N 3.35Å; F309-H313 VanDerWaalsContact O-N 3.17Å; F309-H313 PolarHBondContact O-ND1 3.41Å; F309-I317 HydrophobicContact CE1-CD1 4.35Å
310	L	98.4	Very high	96.9	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-65.1	-43.1	-179.7	-67.9	178.8	0	0	0	111.8	W190 V306 K312 H313 R314 I317 Y320 W385 I391	W190-L310 HydrophobicContact CB-CD2 3.95Å; W190-L310 HydrophobicContact CD2-CD2 3.74Å; W190-L310 HydrophobicContact CE3-CD2 3.93Å; W190-L310 HydrophobicContact CG-CD2 3.74Å; V306-L310 HydrophobicContact CG1-CD1 3.74Å; V306-L310 HydrophobicContact CG1-CG 4.03Å; V306-L310 WeakPolarHBondContact O-CB 3.42Å; V306-L310 WeakPolarHBondContact O-CG 3.45Å; V306-L310 PolarHBondContact O-N 2.91Å; L310-K312 VanDerWaalsContact C-N 3.33Å; L310-K312 PolarHBondContact O-N 2.97Å; L310-H313 CarbonylContact O-C 3.45Å; L310-H313 PolarHBondContact O-N 3.16Å; L310-H313 VanDerWaalsContact O-N 3.15Å; L310-R314 WeakPolarHBondContact O-CA 3.32Å; L310-R314 PolarHBondContact O-N 3.39Å; L310-I317 HydrophobicContact CD2-CD1 3.39Å; L310-Y320 HydrophobicContact CD1-CD2 3.91Å; L310-Y320 HydrophobicContact CD1-CE2 3.87Å; L310-W385 HydrophobicContact CB-CH2 3.77Å; L310-W385 HydrophobicContact CB-CZ3 3.65Å; L310-W385 HydrophobicContact CD1-CE3 4.37Å; L310-W385 HydrophobicContact CD1-CH2 4.46Å; L310-W385 HydrophobicContact CD1-CZ3 3.62Å; L310-W385 HydrophobicContact CG-CZ3 4.28Å; L310-I391 HydrophobicContact CD2-CD1 4.43Å
311	R	97	Very high	96.9	Very high	71 Å²	71	48.6 Å²	48.6	27%	0.268	22%	0.215	S	C	.	.	H	α-helix	trans	-57.4	-45.1	174.3	-81.9	-175.6	-72.9	-104.2	0.1	112.1	E298 A307 N308 H313 R314 W385	E298-R311 VanDerWaalsContact CD-NH1 3.33Å; E298-R311 IonicContact OE1-CZ 2.78Å; E298-R311 IonicContact OE1-NH1 2.72Å; E298-R311 PolarHBondContact OE1-NH1 3.49Å; E298-R311 IonicContact OE1-NH2 3.6Å; E298-R311 IonicContact OE2-CZ 3.94Å; E298-R311 IonicContact OE2-NH1 3.12Å; E298-R311 PolarHBondContact OE2-NH1 2.71Å; E298-R311 VanDerWaalsContact OE2-NH1 3.12Å; E298-R311 IonicContact OE2-NH2 3.78Å; E298-R311 PolarHBondContact OE2-NH2 3.27Å; A307-R311 WeakPolarHBondContact O-CB 3.31Å; A307-R311 WeakPolarHBondContact O-CG 3.4Å; A307-R311 PolarHBondContact O-N 2.83Å; A307-R311 PolarHBondContact O-NE 3.35Å; N308-R311 PolarHBondContact OD1-NH2 3.11Å; R311-H313 PolarHBondContact O-N 3.14Å; R311-R314 WeakPolarHBondContact O-CG 3.33Å; R311-R314 PolarHBondContact O-N 2.67Å; R311-W385 HydrophobicContact CG-CH2 3.94Å; R311-W385 HydrophobicContact CG-CZ2 3.84Å
312	K	96.1	Very high	96.9	Very high	174 Å²	174	46.6 Å²	46.6	76%	0.757	20%	0.202	S	C	*	.	H	α-helix	trans	-62.3	-32	178.9	-175.9	174.9	178.2	177.2	0	112.4	N308 F309 L310	N308-K312 WeakPolarHBondContact O-CB 3.24Å; N308-K312 PolarHBondContact O-N 3.29Å; F309-K312 PolarHBondContact O-N 2.72Å; L310-K312 VanDerWaalsContact C-N 3.33Å; L310-K312 PolarHBondContact O-N 2.97Å
313	H	94.8	Very high	96.9	Very high	43 Å²	43	46.6 Å²	46.6	20%	0.199	20%	0.202	C	C	.	.	H	α-helix	trans	-109.2	11.4	-175.5	-58.9	92.8	0	0	0	114.4	F309 L310 R311 K315 H316 I317	F309-H313 AromaticContact CD2-CE1 3.7Å; F309-H313 AromaticContact CD2-ND1 3.8Å; F309-H313 AromaticContact CE1-ND1 3.89Å; F309-H313 AromaticContact CE2-CE1 3.36Å; F309-H313 WeakPolarHBondContact CE2-CE1 3.08Å; F309-H313 AromaticContact CE2-ND1 3.65Å; F309-H313 AromaticContact CG-ND1 3.99Å; F309-H313 AromaticContact CZ-CE1 3.74Å; F309-H313 AromaticContact CZ-ND1 3.69Å; F309-H313 PolarHBondContact O-N 3.35Å; F309-H313 VanDerWaalsContact O-N 3.17Å; F309-H313 PolarHBondContact O-ND1 3.41Å; L310-H313 CarbonylContact O-C 3.45Å; L310-H313 PolarHBondContact O-N 3.16Å; L310-H313 VanDerWaalsContact O-N 3.15Å; R311-H313 PolarHBondContact O-N 3.14Å; H313-K315 PolarHBondContact O-N 3.46Å; H313-H316 PolarHBondContact O-N 3.43Å; H313-I317 HydrophobicContact CB-CD1 3.77Å; H313-I317 HydrophobicContact CB-CG1 4.05Å; H313-I317 PolarHBondContact O-N 2.9Å; H313-I317 VanDerWaalsContact O-N 3.09Å
314	R	88.8	Confident	96.9	Very high	138 Å²	138	46.6 Å²	46.6	52%	0.521	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-29.8	-172	70.4	-178	-179.5	-179.9	-0.3	115.2	L310 R311 H316	L310-R314 WeakPolarHBondContact O-CA 3.32Å; L310-R314 PolarHBondContact O-N 3.39Å; R311-R314 WeakPolarHBondContact O-CG 3.33Å; R311-R314 PolarHBondContact O-N 2.67Å; R314-H316 VanDerWaalsContact C-N 3.29Å; R314-H316 PolarHBondContact O-N 2.98Å
315	K	90.1	Very high	96.9	Very high	160 Å²	160	42.8 Å²	42.8	70%	0.696	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-23.7	178.3	-65.7	-173.9	178.4	-178	0	112.9	H313	H313-K315 PolarHBondContact O-N 3.46Å
316	H	93.1	Very high	96.8	Very high	107 Å²	107	42.8 Å²	42.8	50%	0.495	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-34.6	-174.8	-60.4	-68.8	0	0	0	112.6	R187 A188 H313 R314 R318	R187-H316 CarbonylContact C-O 3.55Å; R187-H316 WeakPolarHBondContact CA-O 3.4Å; A188-H316 PolarHBondContact N-O 2.95Å; H313-H316 PolarHBondContact O-N 3.43Å; R314-H316 VanDerWaalsContact C-N 3.29Å; R314-H316 PolarHBondContact O-N 2.98Å; H316-R318 PolarHBondContact O-N 3.04Å
317	I	96.3	Very high	96.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	119.6	179.6	-59.9	175.8	0	0	0	109.1	A188 W190 F309 L310 H313 A319 I391	A188-I317 HydrophobicContact CB-CG1 3.97Å; A188-I317 CarbonylContact O-C 3.45Å; A188-I317 WeakPolarHBondContact O-CA 3.41Å; W190-I317 HydrophobicContact CB-CG2 4.14Å; F309-I317 HydrophobicContact CE1-CD1 4.35Å; L310-I317 HydrophobicContact CD2-CD1 3.39Å; H313-I317 HydrophobicContact CB-CD1 3.77Å; H313-I317 HydrophobicContact CB-CG1 4.05Å; H313-I317 PolarHBondContact O-N 2.9Å; H313-I317 VanDerWaalsContact O-N 3.09Å; I317-A319 VanDerWaalsContact CG2-O 3.28Å; I317-A319 WeakPolarHBondContact CG2-O 3.16Å; I317-I391 HydrophobicContact CB-CD1 4.33Å; I317-I391 HydrophobicContact CB-CG1 4.49Å; I317-I391 HydrophobicContact CG2-CD1 3.78Å; I317-I391 HydrophobicContact CG2-CG1 4.18Å; I317-I391 HydrophobicContact CG2-CG2 4.24Å
318	R	96.3	Very high	96.7	Very high	92 Å²	92	44.7 Å²	44.7	35%	0.347	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-16.6	-178.4	-62.6	-55.3	-174.6	168.7	1.1	113.5	R187 A188 H316 P392 Y393	R187-R318 HydrophobicContact CB-CG 3.92Å; R187-R318 HydrophobicContact CG-CG 3.84Å; A188-R318 PolarHBondContact O-N 3.08Å; H316-R318 PolarHBondContact O-N 3.04Å; R318-P392 WeakPolarHBondContact O-CD 3.48Å; R318-P392 WeakPolarHBondContact O-CG 3.33Å; R318-Y393 PolarHBondContact O-N 3.39Å
319	A	97.9	Very high	96.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	148.9	169.1	0	0	0	0	0	112.9	V189 W190 I317 Y393 L432	V189-A319 WeakPolarHBondContact CA-O 3.39Å; V189-A319 HydrophobicContact CG1-CB 4.11Å; V189-A319 HydrophobicContact CG2-CB 4.29Å; W190-A319 PolarHBondContact N-O 3.09Å; I317-A319 VanDerWaalsContact CG2-O 3.28Å; I317-A319 WeakPolarHBondContact CG2-O 3.16Å; A319-Y393 CarbonylContact C-O 3.47Å; A319-Y393 WeakPolarHBondContact CA-O 3.39Å; A319-L432 HydrophobicContact CB-CD1 3.4Å; A319-L432 HydrophobicContact CB-CD2 4Å; A319-L432 HydrophobicContact CB-CG 4.31Å
320	Y	98.8	Very high	96.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	118.4	174	174.8	-86.3	0	0	0	107.7	W190 D192 L310 S382 A386 Y393 A394 F395	W190-Y320 HydrophobicContact CB-CD2 4.3Å; W190-Y320 AromaticContact CD1-CD2 3.22Å; W190-Y320 AromaticContact CD1-CE2 3.22Å; W190-Y320 AromaticContact CG-CD2 3.97Å; W190-Y320 HydrophobicContact CG-CD2 3.97Å; W190-Y320 HydrophobicContact CG-CE2 4.25Å; W190-Y320 AromaticContact NE1-CD2 3.93Å; W190-Y320 AromaticContact NE1-CE2 3.44Å; D192-Y320 PolarHBondContact OD1-OH 2.88Å; D192-Y320 WeakPolarHBondContact OD2-CE2 3.47Å; D192-Y320 PolarHBondContact OD2-OH 3.47Å; L310-Y320 HydrophobicContact CD1-CD2 3.91Å; L310-Y320 HydrophobicContact CD1-CE2 3.87Å; Y320-S382 WeakPolarHBondContact OH-CB 3.45Å; Y320-S382 PolarHBondContact OH-OG 3.35Å; Y320-A386 HydrophobicContact CD1-CB 3.86Å; Y320-A386 HydrophobicContact CD2-CB 3.86Å; Y320-A386 HydrophobicContact CE1-CB 4.48Å; Y320-A386 HydrophobicContact CG-CB 3.54Å; Y320-Y393 PolarHBondContact N-O 2.9Å; Y320-A394 CarbonylContact O-C 3.22Å; Y320-A394 WeakPolarHBondContact O-CA 3.41Å; Y320-F395 PolarHBondContact O-N 2.64Å
321	L	98.9	Very high	96.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	112.6	-179.9	-49.2	179.4	0	0	0	108.9	V189 W190 I191 D192 F323 F395 V425 I428	V189-L321 HydrophobicContact CG1-CD1 4.06Å; V189-L321 HydrophobicContact CG1-CG 4.24Å; W190-L321 PolarHBondContact O-N 3.04Å; I191-L321 WeakPolarHBondContact CA-O 3.4Å; I191-L321 HydrophobicContact CD1-CD1 4.43Å; I191-L321 HydrophobicContact CG1-CB 4.31Å; I191-L321 HydrophobicContact CG1-CD1 4.24Å; D192-L321 PolarHBondContact N-O 2.9Å; L321-F323 HydrophobicContact CB-CE2 3.67Å; L321-F323 HydrophobicContact CB-CZ 4.17Å; L321-F395 WeakPolarHBondContact CA-O 3.47Å; L321-F395 HydrophobicContact CD2-CB 3.89Å; L321-F395 HydrophobicContact CD2-CD2 3.8Å; L321-F395 HydrophobicContact CD2-CG 4.31Å; L321-V425 HydrophobicContact CD1-CG1 4.02Å; L321-V425 HydrophobicContact CD1-CG2 4.38Å; L321-I428 HydrophobicContact CD2-CD1 4.35Å; L321-I428 HydrophobicContact CD2-CG2 4.12Å
322	S	98.9	Very high	96.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	131.2	174.8	-175.2	0	0	0	0	110	D192 H324 F395 A396 F397	D192-S322 PolarHBondContact OD1-OG 3.36Å; S322-H324 PolarHBondContact OG-CD2 3.37Å; S322-H324 PolarHBondContact OG-NE2 3.43Å; S322-F395 PolarHBondContact N-O 3.09Å; S322-A396 CarbonylContact O-C 3.55Å; S322-A396 VanDerWaalsContact O-CA 3.31Å; S322-A396 WeakPolarHBondContact O-CA 3.46Å; S322-F397 PolarHBondContact O-N 3.25Å
323	F	98.9	Very high	96.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	118.7	-178.8	-67.5	-91.8	0	0	0	111.5	I191 D192 F205 L321 F397 L399 T421 V425	I191-F323 HydrophobicContact CG2-CD2 3.92Å; I191-F323 HydrophobicContact CG2-CE2 3.72Å; D192-F323 PolarHBondContact O-N 3.49Å; F205-F323 AromaticContact CD1-CD1 3.52Å; F205-F323 HydrophobicContact CD1-CD1 3.52Å; F205-F323 HydrophobicContact CD1-CD2 4.04Å; F205-F323 AromaticContact CD1-CE1 3.66Å; F205-F323 HydrophobicContact CD1-CE1 3.66Å; F205-F323 HydrophobicContact CD1-CE2 4.16Å; F205-F323 AromaticContact CD1-CG 3.74Å; F205-F323 HydrophobicContact CD1-CG 3.74Å; F205-F323 AromaticContact CD1-CZ 4Å; F205-F323 HydrophobicContact CD1-CZ 4Å; F205-F323 AromaticContact CE1-CD1 3.7Å; F205-F323 HydrophobicContact CE1-CD1 3.7Å; F205-F323 HydrophobicContact CE1-CD2 4.05Å; F205-F323 AromaticContact CE1-CE1 3.3Å; F205-F323 HydrophobicContact CE1-CE1 3.3Å; F205-F323 AromaticContact CE1-CE2 3.68Å; F205-F323 HydrophobicContact CE1-CE2 3.68Å; F205-F323 HydrophobicContact CE1-CG 4.07Å; F205-F323 AromaticContact CE1-CZ 3.31Å; F205-F323 HydrophobicContact CE1-CZ 3.31Å; F205-F323 HydrophobicContact CG-CD1 4.37Å; F205-F323 AromaticContact CZ-CE1 3.99Å; F205-F323 HydrophobicContact CZ-CE1 3.99Å; F205-F323 HydrophobicContact CZ-CZ 4.08Å; L321-F323 HydrophobicContact CB-CE2 3.67Å; L321-F323 HydrophobicContact CB-CZ 4.17Å; F323-F397 HydrophobicContact CD1-CB 3.63Å; F323-F397 AromaticContact CD1-CD2 3.95Å; F323-F397 HydrophobicContact CD1-CD2 3.95Å; F323-F397 AromaticContact CD1-CG 3.85Å; F323-F397 HydrophobicContact CD1-CG 3.85Å; F323-F397 HydrophobicContact CE1-CB 3.86Å; F323-F397 HydrophobicContact CE1-CD1 4.14Å; F323-F397 AromaticContact CE1-CD2 3.34Å; F323-F397 HydrophobicContact CE1-CD2 3.34Å; F323-F397 AromaticContact CE1-CE2 3.84Å; F323-F397 HydrophobicContact CE1-CE2 3.84Å; F323-F397 AromaticContact CE1-CG 3.51Å; F323-F397 HydrophobicContact CE1-CG 3.51Å; F323-F397 HydrophobicContact CE1-CZ 4.4Å; F323-F397 HydrophobicContact CE2-CD2 4.44Å; F323-F397 HydrophobicContact CG-CB 4.43Å; F323-F397 AromaticContact CZ-CD2 3.62Å; F323-F397 HydrophobicContact CZ-CD2 3.62Å; F323-F397 AromaticContact CZ-CE2 3.82Å; F323-F397 HydrophobicContact CZ-CE2 3.82Å; F323-F397 HydrophobicContact CZ-CG 4.27Å; F323-L399 HydrophobicContact CD1-CD1 4.31Å; F323-L399 HydrophobicContact CD1-CD2 4.19Å; F323-L399 HydrophobicContact CD1-CG 4.46Å; F323-T421 HydrophobicContact CD1-CG2 4.18Å; F323-T421 HydrophobicContact CE1-CG2 3.58Å; F323-V425 HydrophobicContact CE1-CG2 4.11Å; F323-V425 HydrophobicContact CZ-CG2 3.56Å
324	H	98.8	Very high	97.1	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	175.6	-180	-62.8	-93.3	0	0	0	110.7	I195 H196 E199 S322 F397 E398 L399	I195-H324 WeakPolarHBondContact CG2-CE1 3.13Å; H196-H324 AromaticContact CE1-CE1 3.54Å; H196-H324 AromaticContact CE1-ND1 3.4Å; H196-H324 PolarHBondContact CE1-ND1 3.18Å; H196-H324 AromaticContact ND1-CE1 3.88Å; H196-H324 AromaticContact ND1-ND1 3.33Å; H196-H324 PolarHBondContact ND1-ND1 3.03Å; E199-H324 WeakPolarHBondContact OE2-CA 3.34Å; E199-H324 VanDerWaalsContact OE2-CB 3.29Å; E199-H324 WeakPolarHBondContact OE2-CB 3.23Å; E199-H324 IonicContact OE2-CG 3.23Å; E199-H324 IonicContact OE2-ND1 3.08Å; E199-H324 PolarHBondContact OE2-ND1 3.24Å; S322-H324 PolarHBondContact OG-CD2 3.37Å; S322-H324 PolarHBondContact OG-NE2 3.43Å; H324-F397 CarbonylContact C-O 3.58Å; H324-F397 WeakPolarHBondContact CA-O 3.29Å; H324-F397 VanDerWaalsContact CB-O 3.3Å; H324-F397 WeakPolarHBondContact CB-O 3.22Å; H324-F397 PolarHBondContact N-O 3.39Å; H324-E398 WeakPolarHBondContact CB-OE2 3.26Å; H324-L399 WeakPolarHBondContact O-CB 3.34Å; H324-L399 WeakPolarHBondContact O-CG 3.44Å; H324-L399 PolarHBondContact O-N 3.27Å
325	A	97.5	Very high	97.5	Very high	4 Å²	4	21.8 Å²	21.8	3%	0.033	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	155.3	163.8	0	0	0	0	0	109.1	E199 I201 E398 L399 F407	E199-A325 HydrophobicContact CB-CB 4.29Å; E199-A325 HydrophobicContact CG-CB 4.45Å; E199-A325 WeakPolarHBondContact CG-O 3.39Å; E199-A325 PolarHBondContact OE2-N 2.93Å; E199-A325 VanDerWaalsContact OE2-N 3.11Å; I201-A325 HydrophobicContact CG2-CB 3.41Å; I201-A325 VanDerWaalsContact CG2-CB 3.41Å; A325-E398 PolarHBondContact N-OE2 3.36Å; A325-L399 HydrophobicContact CB-CB 4.39Å; A325-F407 VanDerWaalsContact O-CE1 3.26Å; A325-F407 WeakPolarHBondContact O-CE1 3.44Å
326	Y	97.4	Very high	97.7	Very high	10 Å²	10	15.8 Å²	15.8	4%	0.039	7%	0.07	C	C	.	.	S	Bend	cis	-127	155.3	0.6	62.4	-88.3	0	0	0	108.7	W68 D83 L399 D401 G406 F407	W68-Y326 HydrophobicContact CB-CE1 4.25Å; W68-Y326 WeakPolarHBondContact CB-OH 3.19Å; W68-Y326 AromaticContact CE3-CE1 3.94Å; W68-Y326 HydrophobicContact CE3-CE1 3.94Å; D83-Y326 WeakPolarHBondContact CB-OH 3.48Å; D83-Y326 PolarHBondContact OD2-OH 2.94Å; Y326-L399 WeakPolarHBondContact CA-O 3.5Å; Y326-D401 WeakPolarHBondContact CB-O 3.36Å; Y326-G406 VanDerWaalsContact CD1-C 3.44Å; Y326-F407 AromaticContact CD1-CD1 3.73Å; Y326-F407 HydrophobicContact CD1-CD1 3.73Å; Y326-F407 AromaticContact CD1-CE1 3.58Å; Y326-F407 HydrophobicContact CD1-CE1 3.58Å; Y326-F407 HydrophobicContact CD1-CG 4.25Å; Y326-F407 AromaticContact CD1-CZ 3.98Å; Y326-F407 HydrophobicContact CD1-CZ 3.98Å; Y326-F407 HydrophobicContact CE1-CD1 4.11Å; Y326-F407 HydrophobicContact CE1-CD2 4.23Å; Y326-F407 AromaticContact CE1-CE1 3.82Å; Y326-F407 HydrophobicContact CE1-CE1 3.82Å; Y326-F407 AromaticContact CE1-CE2 3.95Å; Y326-F407 HydrophobicContact CE1-CE2 3.95Å; Y326-F407 HydrophobicContact CE1-CG 4.3Å; Y326-F407 AromaticContact CE1-CZ 3.71Å; Y326-F407 HydrophobicContact CE1-CZ 3.71Å
327	A	96.9	Very high	97.8	Very high	11 Å²	11	14.6 Å²	14.6	9%	0.091	6%	0.064	C	C	.	.	S	Bend	trans	175.5	-8	164.1	0	0	0	0	0	113	M329 E398 L399 D401	A327-M329 HydrophobicContact CB-CE 3.95Å; A327-M329 HydrophobicContact CB-CG 3.78Å; A327-M329 HydrophobicContact CB-SD 3.88Å; A327-E398 HydrophobicContact CB-CB 3.84Å; A327-E398 HydrophobicContact CB-CG 4.33Å; A327-L399 PolarHBondContact N-O 3.32Å; A327-L399 VanDerWaalsContact N-O 3.11Å; A327-D401 WeakPolarHBondContact CA-O 3.25Å; A327-D401 PolarHBondContact N-O 2.67Å; A327-D401 VanDerWaalsContact N-O 3.16Å
328	Q	98.4	Very high	97.8	Very high	30 Å²	30	22.4 Å²	22.4	14%	0.14	9%	0.094	C	C	.	.	S	Bend	trans	56	61.2	-168.8	-59.3	-178.8	174.5	0	0	112.2	V364 Q365 Y366 R367 E398 L399 R400 T402	Q328-V364 VanDerWaalsContact CD-CG1 3.41Å; Q328-V364 HydrophobicContact CG-CG1 4.36Å; Q328-V364 VanDerWaalsContact OE1-CG1 3.31Å; Q328-Q365 PolarHBondContact NE2-O 2.86Å; Q328-Y366 HydrophobicContact CB-CD1 4.17Å; Q328-Y366 HydrophobicContact CB-CD2 3.75Å; Q328-Y366 HydrophobicContact CB-CE1 4.16Å; Q328-Y366 HydrophobicContact CB-CE2 3.75Å; Q328-Y366 HydrophobicContact CB-CG 3.97Å; Q328-Y366 HydrophobicContact CG-CD2 4.24Å; Q328-Y366 HydrophobicContact CG-CE2 3.76Å; Q328-Y366 CarbonylContact O-C 3.52Å; Q328-Y366 WeakPolarHBondContact O-CA 3.35Å; Q328-R367 PolarHBondContact O-N 2.9Å; Q328-E398 CarbonylContact C-O 3.54Å; Q328-E398 WeakPolarHBondContact CA-O 3.49Å; Q328-E398 PolarHBondContact N-O 3.28Å; Q328-L399 PolarHBondContact N-O 3.44Å; Q328-R400 HydrophobicContact CG-CG 4.4Å; Q328-T402 HydrophobicContact CB-CG2 4.21Å; Q328-T402 HydrophobicContact CG-CG2 3.98Å
329	M	98.5	Very high	97.8	Very high	9 Å²	9	19.8 Å²	19.8	4%	0.044	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	145.3	178.7	-56.1	-179.4	173.8	0	0	112.2	A327 L331 R367 T374 L375 F397 E398	A327-M329 HydrophobicContact CB-CE 3.95Å; A327-M329 HydrophobicContact CB-CG 3.78Å; A327-M329 HydrophobicContact CB-SD 3.88Å; M329-L331 HydrophobicContact CB-CD2 3.85Å; M329-L331 HydrophobicContact CB-CG 4.11Å; M329-L331 HydrophobicContact SD-CD2 4.26Å; M329-R367 CarbonylContact C-O 3.59Å; M329-R367 WeakPolarHBondContact CA-O 3.45Å; M329-R367 HydrophobicContact CG-CB 4.28Å; M329-T374 HydrophobicContact SD-CG2 4.2Å; M329-L375 HydrophobicContact CE-CD1 4.48Å; M329-L375 HydrophobicContact SD-CB 4.25Å; M329-L375 HydrophobicContact SD-CD1 3.96Å; M329-F397 CarbonylContact O-C 3.58Å; M329-F397 WeakPolarHBondContact O-CA 3.34Å; M329-E398 HydrophobicContact CB-CB 4.03Å; M329-E398 HydrophobicContact CB-CG 4.27Å; M329-E398 PolarHBondContact N-O 3.15Å; M329-E398 PolarHBondContact O-N 3.41Å
330	L	98.8	Very high	97.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	102.6	166.5	176	55.6	0	0	0	109.3	A351 A354 V355 R367 Y368 G369 F395 F397 I428	L330-A351 HydrophobicContact CD2-CB 4.07Å; L330-A351 HydrophobicContact CG-CB 4.45Å; L330-A354 HydrophobicContact CD2-CB 3.77Å; L330-V355 HydrophobicContact CB-CG1 3.9Å; L330-V355 HydrophobicContact CD2-CG1 4Å; L330-R367 PolarHBondContact N-O 3.15Å; L330-Y368 WeakPolarHBondContact O-CA 3.16Å; L330-Y368 VanDerWaalsContact O-CB 3.29Å; L330-Y368 WeakPolarHBondContact O-CB 3.4Å; L330-G369 PolarHBondContact O-N 3.46Å; L330-F395 HydrophobicContact CD1-CB 3.88Å; L330-F395 HydrophobicContact CD1-CD1 3.84Å; L330-F395 HydrophobicContact CD1-CG 4.12Å; L330-F395 HydrophobicContact CG-CD1 4.23Å; L330-F397 HydrophobicContact CD1-CD1 3.99Å; L330-F397 HydrophobicContact CD1-CD2 3.85Å; L330-F397 HydrophobicContact CD1-CE1 3.73Å; L330-F397 HydrophobicContact CD1-CE2 3.57Å; L330-F397 HydrophobicContact CD1-CG 4.05Å; L330-F397 HydrophobicContact CD1-CZ 3.51Å; L330-F397 HydrophobicContact CD2-CE1 4.32Å; L330-F397 HydrophobicContact CD2-CZ 4.25Å; L330-F397 HydrophobicContact CG-CE1 4.43Å; L330-F397 HydrophobicContact CG-CZ 4.46Å; L330-I428 HydrophobicContact CD2-CD1 4.33Å
331	L	98.7	Very high	97.6	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.021	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	149.5	-173	-51.8	177.2	0	0	0	110.8	M329 G369 A371 T374 L375 F395 A396 E398	M329-L331 HydrophobicContact CB-CD2 3.85Å; M329-L331 HydrophobicContact CB-CG 4.11Å; M329-L331 HydrophobicContact SD-CD2 4.26Å; L331-G369 WeakPolarHBondContact CA-O 3.25Å; L331-A371 HydrophobicContact CB-CB 4.13Å; L331-A371 HydrophobicContact CD1-CB 4.31Å; L331-T374 HydrophobicContact CD2-CG2 3.64Å; L331-L375 HydrophobicContact CD1-CB 3.91Å; L331-L375 HydrophobicContact CD1-CD2 3.71Å; L331-L375 HydrophobicContact CD1-CG 4.4Å; L331-L375 HydrophobicContact CD2-CB 4.3Å; L331-F395 CarbonylContact O-C 3.47Å; L331-F395 VanDerWaalsContact O-CA 3.23Å; L331-F395 WeakPolarHBondContact O-CA 3.41Å; L331-A396 HydrophobicContact CB-CB 4.37Å; L331-A396 PolarHBondContact N-O 3.3Å; L331-A396 PolarHBondContact O-N 3.25Å; L331-E398 HydrophobicContact CD1-CG 4.22Å
332	Y	98.7	Very high	97.4	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.008	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	168.6	168.8	58	-100.2	0	0	0	110.7	I341 F344 V347 E348 A351 G369 P370 A371 M383 F395	Y332-I341 HydrophobicContact CD2-CD1 3.97Å; Y332-I341 HydrophobicContact CE2-CD1 4.31Å; Y332-F344 HydrophobicContact CE2-CE2 4.48Å; Y332-F344 WeakPolarHBondContact OH-CE2 3.22Å; Y332-V347 HydrophobicContact CD1-CG1 3.9Å; Y332-V347 HydrophobicContact CD2-CG1 3.75Å; Y332-V347 HydrophobicContact CE1-CG1 4.49Å; Y332-V347 HydrophobicContact CE2-CG1 4.4Å; Y332-V347 HydrophobicContact CG-CG1 3.48Å; Y332-V347 VanDerWaalsContact CG-CG1 3.48Å; Y332-E348 WeakPolarHBondContact CE1-OE2 3.48Å; Y332-E348 VanDerWaalsContact OH-CD 3.29Å; Y332-E348 PolarHBondContact OH-OE2 2.97Å; Y332-A351 HydrophobicContact CD1-CB 4.16Å; Y332-A351 HydrophobicContact CE1-CB 4.19Å; Y332-G369 WeakPolarHBondContact CD1-O 3.45Å; Y332-G369 PolarHBondContact N-O 3.26Å; Y332-G369 VanDerWaalsContact N-O 3.09Å; Y332-P370 HydrophobicContact CE2-CB 4.22Å; Y332-P370 HydrophobicContact CE2-CG 3.75Å; Y332-P370 CarbonylContact O-C 3.47Å; Y332-P370 WeakPolarHBondContact O-CA 3.49Å; Y332-P370 VanDerWaalsContact OH-CD 3.29Å; Y332-P370 WeakPolarHBondContact OH-CD 3.4Å; Y332-A371 PolarHBondContact O-N 2.02Å; Y332-M383 WeakPolarHBondContact CA-SD 3.13Å; Y332-F395 HydrophobicContact CD1-CD1 4.46Å; Y332-F395 HydrophobicContact CD1-CE1 4.06Å; Y332-F395 HydrophobicContact CG-CE1 4.31Å
333	P	98.6	Very high	97.2	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	17%	0.17	C	C	.	.	S	Bend	trans	-59.2	153.5	-178.4	-27.8	35.3	0	0	0	114.3	I341 M383 D384 Y387 A394	P333-I341 HydrophobicContact CB-CG2 3.86Å; P333-I341 WeakPolarHBondContact O-CG2 3.32Å; P333-M383 HydrophobicContact CG-CE 4.18Å; P333-M383 HydrophobicContact CG-CG 3.9Å; P333-M383 HydrophobicContact CG-SD 4.35Å; P333-D384 WeakPolarHBondContact CA-OD1 3.37Å; P333-D384 VanDerWaalsContact CB-OD1 3.25Å; P333-D384 WeakPolarHBondContact CB-OD1 3.34Å; P333-Y387 HydrophobicContact CB-CD1 4.26Å; P333-Y387 HydrophobicContact CB-CG 4.15Å; P333-Y387 HydrophobicContact CG-CD1 4.41Å; P333-Y387 HydrophobicContact CG-CD2 4.14Å; P333-Y387 HydrophobicContact CG-CG 3.8Å; P333-A394 WeakPolarHBondContact CD-O 3.34Å; P333-A394 HydrophobicContact CG-CB 4.09Å
334	Y	98.3	Very high	97	Very high	24 Å²	24	36.3 Å²	36.3	9%	0.094	19%	0.187	C	C	.	.			cis	-93.4	150	0.4	-64.1	-73.4	0	0	0	112.3	Y336 K337 A339 I341 A371 S372 D384 Y387	Y334-Y336 HydrophobicContact CD1-CD1 4.34Å; Y334-Y336 AromaticContact CD1-CE1 3.49Å; Y334-Y336 HydrophobicContact CD1-CE1 3.49Å; Y334-Y336 VanDerWaalsContact CD1-CE1 3.49Å; Y334-Y336 AromaticContact CD1-CZ 3.67Å; Y334-Y336 HydrophobicContact CE1-CE1 4.04Å; Y334-Y336 WeakPolarHBondContact CE1-OH 3.49Å; Y334-Y336 HydrophobicContact CG-CE1 4.31Å; Y334-K337 HydrophobicContact CD2-CD 4.39Å; Y334-K337 HydrophobicContact CD2-CG 4.16Å; Y334-K337 VanDerWaalsContact CE2-CE 3.47Å; Y334-K337 HydrophobicContact CG-CG 4.02Å; Y334-A339 HydrophobicContact CD2-CB 4.25Å; Y334-I341 HydrophobicContact CD2-CG2 3.87Å; Y334-I341 HydrophobicContact CE2-CG2 3.62Å; Y334-I341 HydrophobicContact CG-CG2 4.46Å; Y334-A371 PolarHBondContact O-N 3.49Å; Y334-S372 WeakPolarHBondContact O-CB 3.48Å; Y334-S372 PolarHBondContact O-N 3.32Å; Y334-S372 PolarHBondContact O-OG 3.45Å; Y334-D384 WeakPolarHBondContact CA-OD1 3.44Å; Y334-Y387 AromaticContact CE1-CD1 3.93Å; Y334-Y387 HydrophobicContact CE1-CD1 3.93Å; Y334-Y387 HydrophobicContact CE1-CE1 4.26Å
335	S	97.1	Very high	96.8	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.021	22%	0.217	C	C	.	.	S	Bend	trans	-91.3	-37.1	162.2	74.5	0	0	0	0	111.4	K337 V377 S378 S381 D384	S335-K337 VanDerWaalsContact C-N 3.34Å; S335-K337 PolarHBondContact O-N 3.09Å; S335-V377 CarbonylContact O-C 3.5Å; S335-V377 VanDerWaalsContact O-CA 3.23Å; S335-V377 WeakPolarHBondContact O-CA 3.3Å; S335-S378 CarbonylContact C-O 3.56Å; S335-S378 WeakPolarHBondContact CB-O 3.29Å; S335-S378 PolarHBondContact O-N 3.32Å; S335-S378 PolarHBondContact OG-O 2.94Å; S335-S381 WeakPolarHBondContact OG-CB 3.45Å; S335-S381 PolarHBondContact OG-OG 3.11Å; S335-D384 WeakPolarHBondContact CA-OD2 3.43Å; S335-D384 WeakPolarHBondContact CB-OD2 3.29Å; S335-D384 VanDerWaalsContact N-CG 3.29Å; S335-D384 PolarHBondContact N-OD1 3.01Å; S335-D384 PolarHBondContact N-OD2 2.9Å; S335-D384 PolarHBondContact OG-OD2 3Å
336	Y	95.6	Very high	96.7	Very high	34 Å²	34	41.1 Å²	41.1	13%	0.133	22%	0.22	C	C	.	.	S	Bend	trans	-81	-4	-173.2	69.3	-104.4	0	0	0	115.6	V276 K277 Y334 S378 D384	V276-Y336 HydrophobicContact CG2-CD1 3.88Å; V276-Y336 HydrophobicContact CG2-CE1 3.65Å; K277-Y336 HydrophobicContact CB-CD1 4.33Å; K277-Y336 HydrophobicContact CB-CD2 4.13Å; K277-Y336 HydrophobicContact CB-CG 3.93Å; K277-Y336 HydrophobicContact CD-CD2 4.45Å; K277-Y336 HydrophobicContact CG-CD1 4.13Å; K277-Y336 HydrophobicContact CG-CD2 3.47Å; K277-Y336 VanDerWaalsContact CG-CD2 3.47Å; K277-Y336 HydrophobicContact CG-CE1 4.4Å; K277-Y336 HydrophobicContact CG-CE2 3.67Å; K277-Y336 HydrophobicContact CG-CG 3.74Å; Y334-Y336 HydrophobicContact CD1-CD1 4.34Å; Y334-Y336 AromaticContact CD1-CE1 3.49Å; Y334-Y336 HydrophobicContact CD1-CE1 3.49Å; Y334-Y336 VanDerWaalsContact CD1-CE1 3.49Å; Y334-Y336 AromaticContact CD1-CZ 3.67Å; Y334-Y336 HydrophobicContact CE1-CE1 4.04Å; Y334-Y336 WeakPolarHBondContact CE1-OH 3.49Å; Y334-Y336 HydrophobicContact CG-CE1 4.31Å; Y336-S378 VanDerWaalsContact CA-O 3.27Å; Y336-S378 WeakPolarHBondContact CA-O 3.43Å; Y336-S378 PolarHBondContact N-O 2.84Å; Y336-S378 VanDerWaalsContact N-O 3.16Å; Y336-D384 HydrophobicContact CD1-CB 3.89Å; Y336-D384 WeakPolarHBondContact CD1-OD2 3.47Å; Y336-D384 HydrophobicContact CE1-CB 4.05Å; Y336-D384 PolarHBondContact N-OD2 3.05Å
337	K	95	Very high	96.6	Very high	82 Å²	82	40.7 Å²	40.7	36%	0.357	22%	0.219	S	C	.	.	S	Bend	trans	-159.5	155.4	-179	62.8	171.7	174.9	170.1	0	112.8	Y334 S335 A339 S372	Y334-K337 HydrophobicContact CD2-CD 4.39Å; Y334-K337 HydrophobicContact CD2-CG 4.16Å; Y334-K337 VanDerWaalsContact CE2-CE 3.47Å; Y334-K337 HydrophobicContact CG-CG 4.02Å; S335-K337 VanDerWaalsContact C-N 3.34Å; S335-K337 PolarHBondContact O-N 3.09Å; K337-A339 HydrophobicContact CD-CB 3.78Å; K337-A339 HydrophobicContact CG-CB 4.07Å; K337-A339 PolarHBondContact O-N 3.36Å; K337-S372 PolarHBondContact O-OG 2.83Å
338	Y	96	Very high	96.6	Very high	164 Å²	164	42.4 Å²	42.4	64%	0.643	23%	0.225	S	C	*	.	S	Bend	trans	-80	91.2	166.3	-58.4	-70.9	0	0	0	110.4	S372 T373 V377	Y338-S372 WeakPolarHBondContact CE1-O 3.43Å; Y338-T373 HydrophobicContact CD1-CG2 3.72Å; Y338-T373 HydrophobicContact CE1-CG2 3.94Å; Y338-V377 HydrophobicContact CD2-CG2 4.28Å; Y338-V377 HydrophobicContact CE1-CG2 3.99Å; Y338-V377 HydrophobicContact CE2-CG2 3.51Å; Y338-V377 WeakPolarHBondContact OH-CG2 3.39Å
339	A	95.8	Very high	96.4	Very high	37 Å²	37	42.8 Å²	42.8	31%	0.306	23%	0.231	S	C	.	.			trans	-155	151.6	173.6	0	0	0	0	0	110.7	Y334 K337	Y334-A339 HydrophobicContact CD2-CB 4.25Å; K337-A339 HydrophobicContact CD-CB 3.78Å; K337-A339 HydrophobicContact CG-CB 4.07Å; K337-A339 PolarHBondContact O-N 3.36Å
340	T	95.4	Very high	96.4	Very high	111 Å²	111	42.4 Å²	42.4	68%	0.681	23%	0.23	S	C	*	.			trans	-72.6	148.6	169.8	52.9	0	0	0	0	110.7
341	I	96.6	Very high	96.3	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.021	23%	0.23	C	C	.	.			trans	-85.4	145.9	173	47.5	164.2	0	0	0	110.7	Y332 P333 Y334 N343 F344 V347 Y387	Y332-I341 HydrophobicContact CD2-CD1 3.97Å; Y332-I341 HydrophobicContact CE2-CD1 4.31Å; P333-I341 HydrophobicContact CB-CG2 3.86Å; P333-I341 WeakPolarHBondContact O-CG2 3.32Å; Y334-I341 HydrophobicContact CD2-CG2 3.87Å; Y334-I341 HydrophobicContact CE2-CG2 3.62Å; Y334-I341 HydrophobicContact CG-CG2 4.46Å; I341-N343 VanDerWaalsContact C-N 3.28Å; I341-N343 PolarHBondContact O-N 3.11Å; I341-N343 VanDerWaalsContact O-N 3.15Å; I341-F344 HydrophobicContact CG1-CB 4.08Å; I341-F344 HydrophobicContact CG1-CD2 4.34Å; I341-F344 WeakPolarHBondContact O-CB 3.17Å; I341-F344 PolarHBondContact O-N 2.84Å; I341-F344 VanDerWaalsContact O-N 3.07Å; I341-V347 HydrophobicContact CD1-CB 3.57Å; I341-V347 HydrophobicContact CD1-CG1 3.65Å; I341-V347 HydrophobicContact CD1-CG2 3.69Å; I341-Y387 HydrophobicContact CB-CE1 4.2Å; I341-Y387 HydrophobicContact CG2-CD1 4.46Å; I341-Y387 HydrophobicContact CG2-CE1 3.87Å
342	P	96	Very high	96.3	Very high	115 Å²	115	47.7 Å²	47.7	75%	0.747	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-38.2	-179.8	-32.3	33.9	0	0	0	115.9	Y387	P342-Y387 VanDerWaalsContact CD-OH 3.3Å; P342-Y387 WeakPolarHBondContact CD-OH 3.22Å
343	N	94	Very high	96.2	Very high	33 Å²	33	52.2 Å²	52.2	18%	0.176	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	36.1	179.4	67.7	-35.2	0	0	0	113	I341 S345 C346 V347 Y387 P392	I341-N343 VanDerWaalsContact C-N 3.28Å; I341-N343 PolarHBondContact O-N 3.11Å; I341-N343 VanDerWaalsContact O-N 3.15Å; N343-S345 PolarHBondContact O-N 3.16Å; N343-C346 WeakPolarHBondContact O-CB 3.41Å; N343-C346 PolarHBondContact O-N 3.41Å; N343-C346 VanDerWaalsContact O-N 3.16Å; N343-V347 WeakPolarHBondContact ND2-CG2 3.26Å; N343-V347 PolarHBondContact O-N 3.42Å; N343-Y387 VanDerWaalsContact OD1-CE2 3.31Å; N343-Y387 WeakPolarHBondContact OD1-CE2 3.06Å; N343-Y387 PolarHBondContact OD1-OH 3.37Å; N343-P392 PolarHBondContact ND2-O 3.37Å
344	F	95.4	Very high	96.2	Very high	83 Å²	83	52.1 Å²	52.1	36%	0.364	27%	0.269	S	S	.	.	H	α-helix	trans	-47	-53.7	-175.4	176.3	-101.3	0	0	0	113.8	Y332 I341 C346 V347 E348	Y332-F344 HydrophobicContact CE2-CE2 4.48Å; Y332-F344 WeakPolarHBondContact OH-CE2 3.22Å; I341-F344 HydrophobicContact CG1-CB 4.08Å; I341-F344 HydrophobicContact CG1-CD2 4.34Å; I341-F344 WeakPolarHBondContact O-CB 3.17Å; I341-F344 PolarHBondContact O-N 2.84Å; I341-F344 VanDerWaalsContact O-N 3.07Å; F344-C346 VanDerWaalsContact C-N 3.26Å; F344-C346 PolarHBondContact O-N 2.8Å; F344-V347 PolarHBondContact O-N 3.08Å; F344-V347 VanDerWaalsContact O-N 3.11Å; F344-E348 HydrophobicContact CD2-CB 4.48Å; F344-E348 HydrophobicContact CE1-CB 4.26Å; F344-E348 HydrophobicContact CE1-CG 4.28Å; F344-E348 HydrophobicContact CE2-CB 4.16Å; F344-E348 HydrophobicContact CE2-CG 4.33Å; F344-E348 HydrophobicContact CZ-CB 4.03Å; F344-E348 HydrophobicContact CZ-CG 3.87Å; F344-E348 VanDerWaalsContact O-CB 3.26Å; F344-E348 WeakPolarHBondContact O-CB 3.19Å; F344-E348 PolarHBondContact O-N 2.51Å
345	S	94.3	Very high	96.2	Very high	90 Å²	90	51.3 Å²	51.3	63%	0.629	27%	0.267	S	S	*	.	H	α-helix	trans	-53.9	-41.5	-177.5	-178.8	0	0	0	0	113	N343 S349	N343-S345 PolarHBondContact O-N 3.16Å; S345-S349 WeakPolarHBondContact O-CB 3.44Å; S345-S349 PolarHBondContact O-N 2.89Å
346	C	94.6	Very high	96.2	Very high	16 Å²	16	54 Å²	54	11%	0.108	28%	0.281	C	S	.	.	H	α-helix	trans	-64.9	-50.8	177.7	-48.4	0	0	0	0	112.1	N343 F344 A350 Y393 C436	N343-C346 WeakPolarHBondContact O-CB 3.41Å; N343-C346 PolarHBondContact O-N 3.41Å; N343-C346 VanDerWaalsContact O-N 3.16Å; F344-C346 VanDerWaalsContact C-N 3.26Å; F344-C346 PolarHBondContact O-N 2.8Å; C346-A350 WeakPolarHBondContact O-CB 3.44Å; C346-A350 PolarHBondContact O-N 3.37Å; C346-Y393 HydrophobicContact CB-CE1 4.1Å; C346-C436 VanDerWaalsContact CA-SG 3.51Å; C346-C436 HydrophobicContact CB-CB 3.85Å; C346-C436 WeakPolarHBondContact CB-SG 3.5Å; C346-C436 WeakPolarHBondContact SG-CB 3.49Å; C346-C436 CovalentContact SG-SG 1.99Å; C346-C436 PolarHBondContact SG-SG 2.92Å
347	V	96.5	Very high	96.3	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.006	28%	0.281	C	S	.	.	H	α-helix	trans	-70.1	-42.9	-173.4	171	0	0	0	0	110.3	Y332 I341 N343 F344 A350 A351 Y393 F395	Y332-V347 HydrophobicContact CD1-CG1 3.9Å; Y332-V347 HydrophobicContact CD2-CG1 3.75Å; Y332-V347 HydrophobicContact CE1-CG1 4.49Å; Y332-V347 HydrophobicContact CE2-CG1 4.4Å; Y332-V347 HydrophobicContact CG-CG1 3.48Å; Y332-V347 VanDerWaalsContact CG-CG1 3.48Å; I341-V347 HydrophobicContact CD1-CB 3.57Å; I341-V347 HydrophobicContact CD1-CG1 3.65Å; I341-V347 HydrophobicContact CD1-CG2 3.69Å; N343-V347 WeakPolarHBondContact ND2-CG2 3.26Å; N343-V347 PolarHBondContact O-N 3.42Å; F344-V347 PolarHBondContact O-N 3.08Å; F344-V347 VanDerWaalsContact O-N 3.11Å; V347-A350 PolarHBondContact O-N 2.85Å; V347-A351 WeakPolarHBondContact O-CB 3.36Å; V347-A351 PolarHBondContact O-N 2.89Å; V347-Y393 HydrophobicContact CG2-CD1 4.08Å; V347-Y393 HydrophobicContact CG2-CE1 4.38Å; V347-F395 HydrophobicContact CB-CZ 4.48Å; V347-F395 HydrophobicContact CG1-CE1 3.69Å; V347-F395 HydrophobicContact CG1-CZ 3.7Å
348	E	96.1	Very high	96.5	Very high	48 Å²	48	49.3 Å²	49.3	22%	0.224	26%	0.264	C	S	.	.	H	α-helix	trans	-64.5	-46	177.1	-175.4	69.1	166.7	0	0	111.2	Y332 F344 A350 A351 Y352 Y368	Y332-E348 WeakPolarHBondContact CE1-OE2 3.48Å; Y332-E348 VanDerWaalsContact OH-CD 3.29Å; Y332-E348 PolarHBondContact OH-OE2 2.97Å; F344-E348 HydrophobicContact CD2-CB 4.48Å; F344-E348 HydrophobicContact CE1-CB 4.26Å; F344-E348 HydrophobicContact CE1-CG 4.28Å; F344-E348 HydrophobicContact CE2-CB 4.16Å; F344-E348 HydrophobicContact CE2-CG 4.33Å; F344-E348 HydrophobicContact CZ-CB 4.03Å; F344-E348 HydrophobicContact CZ-CG 3.87Å; F344-E348 VanDerWaalsContact O-CB 3.26Å; F344-E348 WeakPolarHBondContact O-CB 3.19Å; F344-E348 PolarHBondContact O-N 2.51Å; E348-A350 VanDerWaalsContact C-N 3.28Å; E348-A350 PolarHBondContact O-N 3.21Å; E348-A351 PolarHBondContact O-N 3.32Å; E348-Y352 WeakPolarHBondContact O-CB 3.22Å; E348-Y352 PolarHBondContact O-N 2.62Å; E348-Y368 WeakPolarHBondContact OE1-CE2 3.28Å
349	S	95.8	Very high	96.5	Very high	38 Å²	38	44.8 Å²	44.8	27%	0.266	25%	0.249	S	C	.	.	H	α-helix	trans	-61.1	-38	175.5	-169.4	0	0	0	0	112.1	S345 K353	S345-S349 WeakPolarHBondContact O-CB 3.44Å; S345-S349 PolarHBondContact O-N 2.89Å; S349-K353 WeakPolarHBondContact O-CB 3.43Å; S349-K353 WeakPolarHBondContact O-CD 3.38Å; S349-K353 VanDerWaalsContact O-CG 3.31Å; S349-K353 WeakPolarHBondContact O-CG 3.41Å; S349-K353 PolarHBondContact O-N 3.23Å; S349-K353 VanDerWaalsContact O-N 3.13Å; S349-K353 PolarHBondContact OG-NZ 2.72Å; S349-K353 VanDerWaalsContact OG-NZ 3.14Å
350	A	96.6	Very high	96.7	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.008	26%	0.264	C	S	.	.	H	α-helix	trans	-67.4	-43.1	175.7	0	0	0	0	0	111.7	C346 V347 E348 A354 Y393 F395 H431	C346-A350 WeakPolarHBondContact O-CB 3.44Å; C346-A350 PolarHBondContact O-N 3.37Å; V347-A350 PolarHBondContact O-N 2.85Å; E348-A350 VanDerWaalsContact C-N 3.28Å; E348-A350 PolarHBondContact O-N 3.21Å; A350-A354 VanDerWaalsContact O-CB 3.24Å; A350-A354 WeakPolarHBondContact O-CB 3.48Å; A350-A354 PolarHBondContact O-N 2.81Å; A350-Y393 HydrophobicContact CB-CE1 4.49Å; A350-F395 HydrophobicContact CB-CZ 4.16Å; A350-H431 HydrophobicContact CB-CB 4.39Å
351	A	97.8	Very high	96.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.8	-50.4	176.7	0	0	0	0	0	111.5	L330 Y332 V347 E348 K353 A354 V355 Y368 F395	L330-A351 HydrophobicContact CD2-CB 4.07Å; L330-A351 HydrophobicContact CG-CB 4.45Å; Y332-A351 HydrophobicContact CD1-CB 4.16Å; Y332-A351 HydrophobicContact CE1-CB 4.19Å; V347-A351 WeakPolarHBondContact O-CB 3.36Å; V347-A351 PolarHBondContact O-N 2.89Å; E348-A351 PolarHBondContact O-N 3.32Å; A351-K353 PolarHBondContact O-N 3.46Å; A351-A354 WeakPolarHBondContact O-CB 3.25Å; A351-A354 PolarHBondContact O-N 2.79Å; A351-A354 VanDerWaalsContact O-N 3.12Å; A351-V355 PolarHBondContact O-N 3.11Å; A351-Y368 HydrophobicContact CB-CD2 3.9Å; A351-Y368 HydrophobicContact CB-CG 4.38Å; A351-F395 HydrophobicContact CB-CE1 4Å
352	Y	97.7	Very high	96.8	Very high	115 Å²	115	49.2 Å²	49.2	45%	0.451	26%	0.264	S	S	.	.	H	α-helix	trans	-55.5	-49.6	177.8	174	-111.9	0	0	0	112.4	E348 A354 V355 N356 Y368	E348-Y352 WeakPolarHBondContact O-CB 3.22Å; E348-Y352 PolarHBondContact O-N 2.62Å; Y352-A354 VanDerWaalsContact C-N 3.29Å; Y352-A354 PolarHBondContact O-N 2.69Å; Y352-V355 WeakPolarHBondContact O-CG2 3.37Å; Y352-V355 PolarHBondContact O-N 3.19Å; Y352-N356 WeakPolarHBondContact CE1-ND2 3.44Å; Y352-N356 WeakPolarHBondContact CE2-ND2 3.29Å; Y352-N356 WeakPolarHBondContact O-CB 3.48Å; Y352-N356 PolarHBondContact O-N 3.18Å; Y352-N356 PolarHBondContact OH-ND2 3.49Å; Y352-Y368 HydrophobicContact CD2-CE1 4.25Å; Y352-Y368 AromaticContact CD2-CZ 3.81Å; Y352-Y368 VanDerWaalsContact CD2-OH 3.24Å; Y352-Y368 WeakPolarHBondContact CD2-OH 3.22Å
353	K	97.1	Very high	96.8	Very high	96 Å²	96	46 Å²	46	42%	0.417	25%	0.251	S	S	.	.	H	α-helix	trans	-64.5	-35.7	178.2	-73.3	169.6	-179.6	154.9	0	112.1	S349 A351 A357	S349-K353 WeakPolarHBondContact O-CB 3.43Å; S349-K353 WeakPolarHBondContact O-CD 3.38Å; S349-K353 VanDerWaalsContact O-CG 3.31Å; S349-K353 WeakPolarHBondContact O-CG 3.41Å; S349-K353 PolarHBondContact O-N 3.23Å; S349-K353 VanDerWaalsContact O-N 3.13Å; S349-K353 PolarHBondContact OG-NZ 2.72Å; S349-K353 VanDerWaalsContact OG-NZ 3.14Å; A351-K353 PolarHBondContact O-N 3.46Å; K353-A357 WeakPolarHBondContact O-CB 3.38Å; K353-A357 PolarHBondContact O-N 2.86Å; K353-A357 VanDerWaalsContact O-N 3.07Å
354	A	98	Very high	96.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67.6	-45.9	178.5	0	0	0	0	0	112	L330 A350 A351 Y352 A357 L358 A424 N427 I428	L330-A354 HydrophobicContact CD2-CB 3.77Å; A350-A354 VanDerWaalsContact O-CB 3.24Å; A350-A354 WeakPolarHBondContact O-CB 3.48Å; A350-A354 PolarHBondContact O-N 2.81Å; A351-A354 WeakPolarHBondContact O-CB 3.25Å; A351-A354 PolarHBondContact O-N 2.79Å; A351-A354 VanDerWaalsContact O-N 3.12Å; Y352-A354 VanDerWaalsContact C-N 3.29Å; Y352-A354 PolarHBondContact O-N 2.69Å; A354-A357 PolarHBondContact O-N 3Å; A354-L358 WeakPolarHBondContact O-CB 3.38Å; A354-L358 PolarHBondContact O-N 2.7Å; A354-A424 HydrophobicContact CB-CB 4.01Å; A354-N427 HydrophobicContact CB-CB 4.48Å; A354-I428 HydrophobicContact CB-CD1 4.05Å; A354-I428 HydrophobicContact CB-CG1 3.71Å
355	V	98.2	Very high	97	Very high	7 Å²	7	48.1 Å²	48.1	4%	0.042	26%	0.263	C	S	.	.	H	α-helix	trans	-67.5	-37.6	177.9	-62.2	0	0	0	0	112.3	L330 A351 Y352 A357 L358 Q359 Y368	L330-V355 HydrophobicContact CB-CG1 3.9Å; L330-V355 HydrophobicContact CD2-CG1 4Å; A351-V355 PolarHBondContact O-N 3.11Å; Y352-V355 WeakPolarHBondContact O-CG2 3.37Å; Y352-V355 PolarHBondContact O-N 3.19Å; V355-A357 PolarHBondContact O-N 2.67Å; V355-L358 WeakPolarHBondContact O-CB 3.32Å; V355-L358 PolarHBondContact O-N 2.93Å; V355-Q359 WeakPolarHBondContact O-CB 3.28Å; V355-Q359 PolarHBondContact O-N 3.49Å; V355-Y368 HydrophobicContact CB-CD1 4.34Å; V355-Y368 HydrophobicContact CG1-CD1 4.06Å; V355-Y368 HydrophobicContact CG1-CG 4.28Å; V355-Y368 HydrophobicContact CG2-CD1 3.49Å; V355-Y368 VanDerWaalsContact CG2-CD1 3.49Å; V355-Y368 HydrophobicContact CG2-CE1 3.74Å; V355-Y368 HydrophobicContact CG2-CG 4.24Å
356	N	98.1	Very high	97.2	Very high	60 Å²	60	44.6 Å²	44.6	32%	0.321	24%	0.236	S	C	.	.	H	α-helix	trans	-65.1	-41.4	176.3	-75.4	-6.3	0	0	0	111.7	Y352 L358 Q359 S360	Y352-N356 WeakPolarHBondContact CE1-ND2 3.44Å; Y352-N356 WeakPolarHBondContact CE2-ND2 3.29Å; Y352-N356 WeakPolarHBondContact O-CB 3.48Å; Y352-N356 PolarHBondContact O-N 3.18Å; Y352-N356 PolarHBondContact OH-ND2 3.49Å; N356-L358 VanDerWaalsContact C-N 3.34Å; N356-Q359 PolarHBondContact O-N 3.29Å; N356-S360 PolarHBondContact O-N 2.84Å
357	A	97.8	Very high	97.4	Very high	15 Å²	15	50.7 Å²	50.7	12%	0.124	26%	0.257	C	S	.	.	H	α-helix	trans	-66	-38.1	175.9	0	0	0	0	0	111.9	K353 A354 V355 S360 L423 N427	K353-A357 WeakPolarHBondContact O-CB 3.38Å; K353-A357 PolarHBondContact O-N 2.86Å; K353-A357 VanDerWaalsContact O-N 3.07Å; A354-A357 PolarHBondContact O-N 3Å; V355-A357 PolarHBondContact O-N 2.67Å; A357-S360 PolarHBondContact O-N 2.69Å; A357-S360 PolarHBondContact O-OG 3.11Å; A357-L423 HydrophobicContact CB-CB 4.26Å; A357-N427 WeakPolarHBondContact CB-ND2 3.31Å
358	L	97.9	Very high	97.5	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-60.7	-51.1	172.9	-170.8	158.8	0	0	0	110.4	A354 V355 N356 S360 V361 V364 Y366 E420 A424	A354-L358 WeakPolarHBondContact O-CB 3.38Å; A354-L358 PolarHBondContact O-N 2.7Å; V355-L358 WeakPolarHBondContact O-CB 3.32Å; V355-L358 PolarHBondContact O-N 2.93Å; N356-L358 VanDerWaalsContact C-N 3.34Å; L358-S360 VanDerWaalsContact C-N 3.25Å; L358-S360 PolarHBondContact O-N 2.68Å; L358-V361 PolarHBondContact O-N 3.47Å; L358-V364 HydrophobicContact CD2-CB 4.42Å; L358-Y366 HydrophobicContact CD1-CD1 4.1Å; L358-Y366 HydrophobicContact CD1-CD2 3.93Å; L358-Y366 HydrophobicContact CD1-CE1 4Å; L358-Y366 HydrophobicContact CD1-CE2 3.83Å; L358-Y366 HydrophobicContact CD1-CG 4.08Å; L358-Y366 HydrophobicContact CD2-CD2 3.47Å; L358-Y366 VanDerWaalsContact CD2-CD2 3.47Å; L358-Y366 HydrophobicContact CD2-CE2 3.49Å; L358-Y366 VanDerWaalsContact CD2-CE2 3.49Å; L358-Y366 HydrophobicContact CD2-CG 4.3Å; L358-Y366 HydrophobicContact CG-CD2 4.36Å; L358-Y366 HydrophobicContact CG-CE2 4.33Å; L358-E420 HydrophobicContact CD1-CG 4.35Å; L358-E420 HydrophobicContact CD2-CB 3.89Å; L358-E420 HydrophobicContact CD2-CG 3.76Å; L358-E420 HydrophobicContact CG-CB 3.77Å; L358-E420 HydrophobicContact CG-CG 3.8Å; L358-A424 HydrophobicContact CB-CB 4.26Å; L358-A424 HydrophobicContact CD1-CB 4.2Å
359	Q	98	Very high	97.6	Very high	69 Å²	69	52.2 Å²	52.2	32%	0.322	26%	0.262	S	S	.	.	H	α-helix	trans	-59	-35.2	-179.4	-172.4	-177.9	6.3	0	0	112.3	V355 N356 V361 G363 V364	V355-Q359 WeakPolarHBondContact O-CB 3.28Å; V355-Q359 PolarHBondContact O-N 3.49Å; N356-Q359 PolarHBondContact O-N 3.29Å; Q359-V361 PolarHBondContact O-N 2.99Å; Q359-G363 WeakPolarHBondContact O-CA 3.44Å; Q359-G363 PolarHBondContact O-N 2.7Å; Q359-V364 WeakPolarHBondContact CA-O 3.41Å
360	S	98	Very high	97.7	Very high	90 Å²	90	51.7 Å²	51.7	63%	0.629	26%	0.258	S	S	*	.	H	α-helix	trans	-63	-15	-178.4	71.4	0	0	0	0	115.2	N356 A357 L358	N356-S360 PolarHBondContact O-N 2.84Å; A357-S360 PolarHBondContact O-N 2.69Å; A357-S360 PolarHBondContact O-OG 3.11Å; L358-S360 VanDerWaalsContact C-N 3.25Å; L358-S360 PolarHBondContact O-N 2.68Å
361	V	96.8	Very high	97.7	Very high	44 Å²	44	51.9 Å²	51.9	27%	0.267	26%	0.259	S	S	.	.	H	α-helix	trans	-80.5	-52.1	-179	-170.6	0	0	0	0	111.6	L358 Q359 T419 E420 L423	L358-V361 PolarHBondContact O-N 3.47Å; Q359-V361 PolarHBondContact O-N 2.99Å; V361-T419 HydrophobicContact CG1-CG2 4.07Å; V361-E420 HydrophobicContact CB-CB 4.14Å; V361-E420 HydrophobicContact CG2-CB 4.25Å; V361-L423 HydrophobicContact CG2-CD1 3.29Å; V361-L423 HydrophobicContact CG2-CG 3.98Å
362	Y	97.7	Very high	97.6	Very high	112 Å²	112	52.1 Å²	52.1	44%	0.439	26%	0.26	S	S	.	.	H	α-helix	trans	-133.6	7.8	-171.6	-60.1	-57.4	0	0	0	113.8	V364 P416 T419 E420	Y362-V364 PolarHBondContact O-N 3.32Å; Y362-P416 HydrophobicContact CD2-CB 4.23Å; Y362-P416 VanDerWaalsContact CE2-CA 3.49Å; Y362-P416 HydrophobicContact CE2-CB 3.86Å; Y362-P416 VanDerWaalsContact CE2-O 3.28Å; Y362-P416 WeakPolarHBondContact CE2-O 3.48Å; Y362-T419 HydrophobicContact CE2-CG2 4.46Å; Y362-E420 HydrophobicContact CD2-CB 4.16Å
363	G	97.2	Very high	97.4	Very high	46 Å²	46	50.6 Å²	50.6	47%	0.474	26%	0.264	S	S	.	.			trans	75.1	6.6	-177.4	0	0	0	0	0	114.8	Q359 Q365	Q359-G363 WeakPolarHBondContact O-CA 3.44Å; Q359-G363 PolarHBondContact O-N 2.7Å; G363-Q365 PolarHBondContact O-N 2.75Å
364	V	96.3	Very high	97.3	Very high	22 Å²	22	46.6 Å²	46.6	13%	0.133	25%	0.247	C	C	.	.			trans	-72.8	122.5	-177.3	-179	0	0	0	0	111	Q328 L358 Q359 Y362 Y366	Q328-V364 VanDerWaalsContact CD-CG1 3.41Å; Q328-V364 HydrophobicContact CG-CG1 4.36Å; Q328-V364 VanDerWaalsContact OE1-CG1 3.31Å; L358-V364 HydrophobicContact CD2-CB 4.42Å; Q359-V364 WeakPolarHBondContact CA-O 3.41Å; Y362-V364 PolarHBondContact O-N 3.32Å; V364-Y366 HydrophobicContact CG1-CD2 4.01Å; V364-Y366 HydrophobicContact CG1-CE2 3.7Å
365	Q	96.9	Very high	97	Very high	139 Å²	139	48.7 Å²	48.7	65%	0.65	26%	0.258	S	S	*	.			trans	-88.1	124.3	-178	-65.5	-179.9	-3.7	0	0	110.6	Q328 G363	Q328-Q365 PolarHBondContact NE2-O 2.86Å; G363-Q365 PolarHBondContact O-N 2.75Å
366	Y	98.4	Very high	96.6	Very high	16 Å²	16	50 Å²	50	6%	0.063	26%	0.262	C	S	.	.			trans	-107.2	133.6	170.7	-84.9	-125.3	0	0	0	109.5	Q328 L358 V364 E398 R400	Q328-Y366 HydrophobicContact CB-CD1 4.17Å; Q328-Y366 HydrophobicContact CB-CD2 3.75Å; Q328-Y366 HydrophobicContact CB-CE1 4.16Å; Q328-Y366 HydrophobicContact CB-CE2 3.75Å; Q328-Y366 HydrophobicContact CB-CG 3.97Å; Q328-Y366 HydrophobicContact CG-CD2 4.24Å; Q328-Y366 HydrophobicContact CG-CE2 3.76Å; Q328-Y366 CarbonylContact O-C 3.52Å; Q328-Y366 WeakPolarHBondContact O-CA 3.35Å; L358-Y366 HydrophobicContact CD1-CD1 4.1Å; L358-Y366 HydrophobicContact CD1-CD2 3.93Å; L358-Y366 HydrophobicContact CD1-CE1 4Å; L358-Y366 HydrophobicContact CD1-CE2 3.83Å; L358-Y366 HydrophobicContact CD1-CG 4.08Å; L358-Y366 HydrophobicContact CD2-CD2 3.47Å; L358-Y366 VanDerWaalsContact CD2-CD2 3.47Å; L358-Y366 HydrophobicContact CD2-CE2 3.49Å; L358-Y366 VanDerWaalsContact CD2-CE2 3.49Å; L358-Y366 HydrophobicContact CD2-CG 4.3Å; L358-Y366 HydrophobicContact CG-CD2 4.36Å; L358-Y366 HydrophobicContact CG-CE2 4.33Å; V364-Y366 HydrophobicContact CG1-CD2 4.01Å; V364-Y366 HydrophobicContact CG1-CE2 3.7Å; Y366-E398 WeakPolarHBondContact CE1-O 3.45Å; Y366-R400 PolarHBondContact OH-N 3.49Å
367	R	98	Very high	96.4	Very high	145 Å²	145	47.2 Å²	47.2	55%	0.547	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	152.2	165.5	-66.7	174.7	62.5	-159.7	-5.3	108.9	Q328 M329 L330 T374	Q328-R367 PolarHBondContact O-N 2.9Å; M329-R367 CarbonylContact C-O 3.59Å; M329-R367 WeakPolarHBondContact CA-O 3.45Å; M329-R367 HydrophobicContact CG-CB 4.28Å; L330-R367 PolarHBondContact N-O 3.15Å; R367-T374 HydrophobicContact CB-CG2 4.05Å; R367-T374 PolarHBondContact NH2-O 3.04Å
368	Y	98.3	Very high	96.2	Very high	77 Å²	77	46.9 Å²	46.9	30%	0.302	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	161.8	173.2	64.2	-79.4	0	0	0	110.8	L330 E348 A351 Y352 V355 T374	L330-Y368 WeakPolarHBondContact O-CA 3.16Å; L330-Y368 VanDerWaalsContact O-CB 3.29Å; L330-Y368 WeakPolarHBondContact O-CB 3.4Å; E348-Y368 WeakPolarHBondContact OE1-CE2 3.28Å; A351-Y368 HydrophobicContact CB-CD2 3.9Å; A351-Y368 HydrophobicContact CB-CG 4.38Å; Y352-Y368 HydrophobicContact CD2-CE1 4.25Å; Y352-Y368 AromaticContact CD2-CZ 3.81Å; Y352-Y368 VanDerWaalsContact CD2-OH 3.24Å; Y352-Y368 WeakPolarHBondContact CD2-OH 3.22Å; V355-Y368 HydrophobicContact CB-CD1 4.34Å; V355-Y368 HydrophobicContact CG1-CD1 4.06Å; V355-Y368 HydrophobicContact CG1-CG 4.28Å; V355-Y368 HydrophobicContact CG2-CD1 3.49Å; V355-Y368 VanDerWaalsContact CG2-CD1 3.49Å; V355-Y368 HydrophobicContact CG2-CE1 3.74Å; V355-Y368 HydrophobicContact CG2-CG 4.24Å; Y368-T374 PolarHBondContact O-OG1 2.95Å
369	G	98.3	Very high	96.1	Very high	3 Å²	3	46.9 Å²	46.9	3%	0.031	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	146.4	-173.1	178.1	0	0	0	0	0	113.3	L330 L331 Y332 A371 T374	L330-G369 PolarHBondContact O-N 3.46Å; L331-G369 WeakPolarHBondContact CA-O 3.25Å; Y332-G369 WeakPolarHBondContact CD1-O 3.45Å; Y332-G369 PolarHBondContact N-O 3.26Å; Y332-G369 VanDerWaalsContact N-O 3.09Å; G369-A371 PolarHBondContact O-N 2.99Å; G369-T374 WeakPolarHBondContact CA-OG1 3.37Å
370	P	98	Very high	96.1	Very high	28 Å²	28	43.6 Å²	43.6	18%	0.182	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	135.4	173.2	-16.9	30.3	0	0	0	110.3	Y332 S372 T373 T374	Y332-P370 HydrophobicContact CE2-CB 4.22Å; Y332-P370 HydrophobicContact CE2-CG 3.75Å; Y332-P370 CarbonylContact O-C 3.47Å; Y332-P370 WeakPolarHBondContact O-CA 3.49Å; Y332-P370 VanDerWaalsContact OH-CD 3.29Å; Y332-P370 WeakPolarHBondContact OH-CD 3.4Å; P370-S372 PolarHBondContact O-N 3.15Å; P370-T373 WeakPolarHBondContact CD-OG1 3.2Å; P370-T373 PolarHBondContact O-N 3.45Å; P370-T373 VanDerWaalsContact O-N 3.14Å; P370-T373 PolarHBondContact O-OG1 3.11Å; P370-T373 VanDerWaalsContact O-OG1 3.12Å; P370-T374 WeakPolarHBondContact O-CB 3.38Å; P370-T374 PolarHBondContact O-N 2.77Å; P370-T374 PolarHBondContact O-OG1 2.83Å
371	A	97.5	Very high	96.1	Very high	5 Å²	5	39.5 Å²	39.5	4%	0.041	20%	0.201	C	C	.	.	H	α-helix	trans	-56.8	-37.4	-177.9	0	0	0	0	0	112.9	L331 Y332 Y334 G369 T373 L375 Y376 M383	L331-A371 HydrophobicContact CB-CB 4.13Å; L331-A371 HydrophobicContact CD1-CB 4.31Å; Y332-A371 PolarHBondContact O-N 2.02Å; Y334-A371 PolarHBondContact O-N 3.49Å; G369-A371 PolarHBondContact O-N 2.99Å; A371-T373 VanDerWaalsContact C-N 3.3Å; A371-T373 PolarHBondContact O-N 3.03Å; A371-L375 WeakPolarHBondContact O-CB 3.46Å; A371-L375 PolarHBondContact O-N 3.41Å; A371-Y376 PolarHBondContact O-N 3.47Å; A371-M383 HydrophobicContact CB-CE 3.81Å
372	S	95.4	Very high	96.2	Very high	4 Å²	4	37.5 Å²	37.5	3%	0.028	19%	0.188	C	C	.	.	H	α-helix	trans	-61	-34.7	179.6	61.9	0	0	0	0	113.7	Y334 K337 Y338 P370	Y334-S372 WeakPolarHBondContact O-CB 3.48Å; Y334-S372 PolarHBondContact O-N 3.32Å; Y334-S372 PolarHBondContact O-OG 3.45Å; K337-S372 PolarHBondContact O-OG 2.83Å; Y338-S372 WeakPolarHBondContact CE1-O 3.43Å; P370-S372 PolarHBondContact O-N 3.15Å
373	T	93.6	Very high	96.2	Very high	84 Å²	84	32.5 Å²	32.5	52%	0.515	17%	0.169	S	C	.	.	H	α-helix	trans	-99	-32.3	-177	50.6	0	0	0	0	113.1	Y338 P370 A371	Y338-T373 HydrophobicContact CD1-CG2 3.72Å; Y338-T373 HydrophobicContact CE1-CG2 3.94Å; P370-T373 WeakPolarHBondContact CD-OG1 3.2Å; P370-T373 PolarHBondContact O-N 3.45Å; P370-T373 VanDerWaalsContact O-N 3.14Å; P370-T373 PolarHBondContact O-OG1 3.11Å; P370-T373 VanDerWaalsContact O-OG1 3.12Å; A371-T373 VanDerWaalsContact C-N 3.3Å; A371-T373 PolarHBondContact O-N 3.03Å
374	T	94.6	Very high	96.3	Very high	12 Å²	12	30.3 Å²	30.3	7%	0.074	15%	0.146	C	C	.	.	H	α-helix	trans	-85.5	-31.9	-176.3	-59	0	0	0	0	112	M329 L331 R367 Y368 G369 P370	M329-T374 HydrophobicContact SD-CG2 4.2Å; L331-T374 HydrophobicContact CD2-CG2 3.64Å; R367-T374 HydrophobicContact CB-CG2 4.05Å; R367-T374 PolarHBondContact NH2-O 3.04Å; Y368-T374 PolarHBondContact O-OG1 2.95Å; G369-T374 WeakPolarHBondContact CA-OG1 3.37Å; P370-T374 WeakPolarHBondContact O-CB 3.38Å; P370-T374 PolarHBondContact O-N 2.77Å; P370-T374 PolarHBondContact O-OG1 2.83Å
375	L	92	Very high	96.4	Very high	43 Å²	43	29.4 Å²	29.4	23%	0.225	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-79	178.9	-177.5	63.8	0	0	0	111.1	M329 L331 A371	M329-L375 HydrophobicContact CE-CD1 4.48Å; M329-L375 HydrophobicContact SD-CB 4.25Å; M329-L375 HydrophobicContact SD-CD1 3.96Å; L331-L375 HydrophobicContact CD1-CB 3.91Å; L331-L375 HydrophobicContact CD1-CD2 3.71Å; L331-L375 HydrophobicContact CD1-CG 4.4Å; L331-L375 HydrophobicContact CD2-CB 4.3Å; A371-L375 WeakPolarHBondContact O-CB 3.46Å; A371-L375 PolarHBondContact O-N 3.41Å
376	Y	90.7	Very high	96.5	Very high	34 Å²	34	22.8 Å²	22.8	13%	0.133	11%	0.11	C	C	.	.			trans	-176.3	161.1	173.5	46.5	-102.4	0	0	0	109.9	P70 S71 Y75 A371 S378	P70-Y376 HydrophobicContact CB-CD1 3.58Å; P70-Y376 HydrophobicContact CB-CE1 3.5Å; S71-Y376 VanDerWaalsContact CB-OH 3.27Å; S71-Y376 WeakPolarHBondContact CB-OH 3.4Å; S71-Y376 PolarHBondContact N-OH 3.26Å; S71-Y376 WeakPolarHBondContact OG-CE2 3.36Å; S71-Y376 VanDerWaalsContact OG-CZ 3.26Å; S71-Y376 PolarHBondContact OG-OH 3.14Å; Y75-Y376 HydrophobicContact CD1-CD2 4.22Å; Y75-Y376 HydrophobicContact CD1-CG 4.21Å; Y75-Y376 HydrophobicContact CD2-CD1 4.36Å; Y75-Y376 AromaticContact CD2-CD2 3.86Å; Y75-Y376 HydrophobicContact CD2-CD2 3.86Å; Y75-Y376 HydrophobicContact CD2-CE2 4.18Å; Y75-Y376 AromaticContact CD2-CG 3.99Å; Y75-Y376 HydrophobicContact CD2-CG 3.99Å; Y75-Y376 AromaticContact CE1-CD2 3.95Å; Y75-Y376 HydrophobicContact CE1-CD2 3.95Å; Y75-Y376 HydrophobicContact CE1-CG 4.38Å; Y75-Y376 AromaticContact CE2-CD2 3.55Å; Y75-Y376 HydrophobicContact CE2-CD2 3.55Å; Y75-Y376 AromaticContact CE2-CE2 3.68Å; Y75-Y376 HydrophobicContact CE2-CE2 3.68Å; Y75-Y376 HydrophobicContact CE2-CG 4.16Å; Y75-Y376 HydrophobicContact CG-CD1 4.48Å; Y75-Y376 HydrophobicContact CG-CD2 4.12Å; Y75-Y376 AromaticContact CG-CG 3.94Å; Y75-Y376 HydrophobicContact CG-CG 3.94Å; Y75-Y376 AromaticContact CZ-CD2 3.51Å; Y75-Y376 AromaticContact CZ-CE2 3.96Å; A371-Y376 PolarHBondContact O-N 3.47Å; Y376-S378 PolarHBondContact O-N 2.94Å
377	V	93.1	Very high	96.4	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.012	11%	0.112	C	C	.	.			trans	-62.5	131.2	175.1	174.1	0	0	0	0	110	Y75 E281 S335 Y338	Y75-V377 WeakPolarHBondContact CE1-O 3.35Å; Y75-V377 PolarHBondContact OH-O 3.22Å; E281-V377 HydrophobicContact CB-CG1 4.1Å; E281-V377 HydrophobicContact CG-CG1 3.93Å; S335-V377 CarbonylContact O-C 3.5Å; S335-V377 VanDerWaalsContact O-CA 3.23Å; S335-V377 WeakPolarHBondContact O-CA 3.3Å; Y338-V377 HydrophobicContact CD2-CG2 4.28Å; Y338-V377 HydrophobicContact CE1-CG2 3.99Å; Y338-V377 HydrophobicContact CE2-CG2 3.51Å; Y338-V377 WeakPolarHBondContact OH-CG2 3.39Å
378	S	93.8	Very high	96.4	Very high	9 Å²	9	22.5 Å²	22.5	6%	0.063	11%	0.112	C	C	.	.			trans	-151.9	139.6	172.3	54.8	0	0	0	0	112.5	S335 Y336 Y376	S335-S378 CarbonylContact C-O 3.56Å; S335-S378 WeakPolarHBondContact CB-O 3.29Å; S335-S378 PolarHBondContact O-N 3.32Å; S335-S378 PolarHBondContact OG-O 2.94Å; Y336-S378 VanDerWaalsContact CA-O 3.27Å; Y336-S378 WeakPolarHBondContact CA-O 3.43Å; Y336-S378 PolarHBondContact N-O 2.84Å; Y336-S378 VanDerWaalsContact N-O 3.16Å; Y376-S378 PolarHBondContact O-N 2.94Å
379	S	95.8	Very high	96.3	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.007	11%	0.109	C	C	.	.	S	Bend	trans	-94.7	157.9	-177.9	78.9	0	0	0	0	113.3	R272 K277 C279 D280 E281 S381	R272-S379 WeakPolarHBondContact CD-O 3.3Å; K277-S379 WeakPolarHBondContact O-CB 3.33Å; C279-S379 PolarHBondContact N-OG 3.45Å; D280-S379 PolarHBondContact N-OG 2.93Å; D280-S379 PolarHBondContact O-OG 2.97Å; D280-S379 VanDerWaalsContact O-OG 3.05Å; E281-S379 WeakPolarHBondContact O-CB 3.2Å; E281-S379 PolarHBondContact O-N 3.42Å; E281-S379 PolarHBondContact O-OG 3.3Å; S379-S381 VanDerWaalsContact C-N 3.34Å; S379-S381 PolarHBondContact O-N 2.75Å
380	G	97.8	Very high	96.1	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	66.7	26.3	174	0	0	0	0	0	115.9	N271 R272 N273 W274 V276	N271-G380 CarbonylContact C-O 3.54Å; R272-G380 CarbonylContact C-O 3.47Å; R272-G380 VanDerWaalsContact CA-O 3.32Å; R272-G380 WeakPolarHBondContact CA-O 3.39Å; N273-G380 PolarHBondContact N-O 3.48Å; W274-G380 WeakPolarHBondContact CB-O 3.38Å; W274-G380 VanDerWaalsContact CD1-O 3.24Å; W274-G380 PolarHBondContact N-O 3.36Å; V276-G380 WeakPolarHBondContact O-CA 3.43Å; V276-G380 PolarHBondContact O-N 3.49Å; V276-G380 VanDerWaalsContact O-N 3.08Å
381	S	98.1	Very high	96	Very high	4 Å²	4	21.8 Å²	21.8	3%	0.028	12%	0.123	C	C	.	.			trans	-78.3	151.5	178.7	73.9	0	0	0	0	113.2	N271 V276 S335 S379 D384 W385	N271-S381 WeakPolarHBondContact O-CA 3.39Å; N271-S381 WeakPolarHBondContact OD1-CA 3.18Å; V276-S381 WeakPolarHBondContact CG1-O 3.35Å; S335-S381 WeakPolarHBondContact OG-CB 3.45Å; S335-S381 PolarHBondContact OG-OG 3.11Å; S379-S381 VanDerWaalsContact C-N 3.34Å; S379-S381 PolarHBondContact O-N 2.75Å; S381-D384 WeakPolarHBondContact OG-CB 3.43Å; S381-D384 PolarHBondContact OG-N 2.94Å; S381-W385 WeakPolarHBondContact O-CB 3.31Å; S381-W385 PolarHBondContact O-N 2.84Å
382	S	98.6	Very high	95.9	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.007	13%	0.131	C	C	.	.	H	α-helix	trans	-65	-40.1	179.1	65.7	0	0	0	0	112.6	N271 W274 Y320 W385 A386	N271-S382 PolarHBondContact OD1-N 2.91Å; N271-S382 PolarHBondContact OD1-OG 3.14Å; W274-S382 VanDerWaalsContact CZ2-CB 3.45Å; Y320-S382 WeakPolarHBondContact OH-CB 3.45Å; Y320-S382 PolarHBondContact OH-OG 3.35Å; S382-W385 PolarHBondContact O-N 2.91Å; S382-A386 WeakPolarHBondContact O-CB 3.32Å; S382-A386 PolarHBondContact O-N 3.04Å
383	M	98.2	Very high	96	Very high	7 Å²	7	23.9 Å²	23.9	3%	0.034	13%	0.133	C	C	.	.	H	α-helix	trans	-64.1	-47.1	-179.5	-174.3	-172.3	63.6	0	0	112	Y332 P333 A371 W385 A386 Y387 A394 A396	Y332-M383 WeakPolarHBondContact CA-SD 3.13Å; P333-M383 HydrophobicContact CG-CE 4.18Å; P333-M383 HydrophobicContact CG-CG 3.9Å; P333-M383 HydrophobicContact CG-SD 4.35Å; A371-M383 HydrophobicContact CB-CE 3.81Å; M383-W385 VanDerWaalsContact C-N 3.29Å; M383-W385 PolarHBondContact O-N 3.42Å; M383-A386 PolarHBondContact O-N 3.32Å; M383-Y387 WeakPolarHBondContact O-CB 3.46Å; M383-Y387 PolarHBondContact O-N 3.12Å; M383-A394 HydrophobicContact CG-CB 3.73Å; M383-A394 WeakPolarHBondContact O-CB 3.31Å; M383-A396 HydrophobicContact SD-CB 3.85Å; M383-A396 PolarHBondContact SD-N 3.29Å
384	D	98.6	Very high	96.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-65.8	-35.6	176.6	-79.2	-7	0	0	0	111.6	V276 P333 Y334 S335 Y336 S381 K388	V276-D384 HydrophobicContact CG1-CB 4.02Å; V276-D384 HydrophobicContact CG2-CB 4.11Å; P333-D384 WeakPolarHBondContact CA-OD1 3.37Å; P333-D384 VanDerWaalsContact CB-OD1 3.25Å; P333-D384 WeakPolarHBondContact CB-OD1 3.34Å; Y334-D384 WeakPolarHBondContact CA-OD1 3.44Å; S335-D384 WeakPolarHBondContact CA-OD2 3.43Å; S335-D384 WeakPolarHBondContact CB-OD2 3.29Å; S335-D384 VanDerWaalsContact N-CG 3.29Å; S335-D384 PolarHBondContact N-OD1 3.01Å; S335-D384 PolarHBondContact N-OD2 2.9Å; S335-D384 PolarHBondContact OG-OD2 3Å; Y336-D384 HydrophobicContact CD1-CB 3.89Å; Y336-D384 WeakPolarHBondContact CD1-OD2 3.47Å; Y336-D384 HydrophobicContact CE1-CB 4.05Å; Y336-D384 PolarHBondContact N-OD2 3.05Å; S381-D384 WeakPolarHBondContact OG-CB 3.43Å; S381-D384 PolarHBondContact OG-N 2.94Å; D384-K388 VanDerWaalsContact O-CB 3.25Å; D384-K388 WeakPolarHBondContact O-CB 3.44Å; D384-K388 PolarHBondContact O-N 3.19Å
385	W	98.6	Very high	96.4	Very high	3 Å²	3	19.3 Å²	19.3	1%	0.011	11%	0.106	C	C	.	.	H	α-helix	trans	-66.4	-45.6	176.3	179.3	99.5	0	0	0	110.7	W274 V276 E298 A307 L310 R311 S381 S382 M383 Y387 K388 N389	W274-W385 HydrophobicContact CB-CB 3.8Å; W274-W385 HydrophobicContact CB-CG 4.07Å; W274-W385 HydrophobicContact CD2-CB 4.32Å; W274-W385 HydrophobicContact CD2-CG 4.36Å; W274-W385 HydrophobicContact CE3-CB 3.95Å; W274-W385 AromaticContact CE3-CD2 3.47Å; W274-W385 HydrophobicContact CE3-CD2 3.47Å; W274-W385 VanDerWaalsContact CE3-CD2 3.47Å; W274-W385 AromaticContact CE3-CE3 3.66Å; W274-W385 HydrophobicContact CE3-CE3 3.66Å; W274-W385 AromaticContact CE3-CG 3.6Å; W274-W385 HydrophobicContact CE3-CG 3.6Å; W274-W385 HydrophobicContact CE3-CZ3 4.42Å; W274-W385 HydrophobicContact CG-CB 4.31Å; W274-W385 AromaticContact CZ3-CD2 3.82Å; W274-W385 HydrophobicContact CZ3-CD2 3.82Å; W274-W385 AromaticContact CZ3-CE3 3.52Å; W274-W385 HydrophobicContact CZ3-CE3 3.52Å; W274-W385 HydrophobicContact CZ3-CG 4.4Å; W274-W385 HydrophobicContact CZ3-CH2 4.46Å; W274-W385 AromaticContact CZ3-CZ3 3.9Å; W274-W385 HydrophobicContact CZ3-CZ3 3.9Å; V276-W385 HydrophobicContact CB-CB 4.15Å; V276-W385 HydrophobicContact CG1-CB 3.7Å; E298-W385 PolarHBondContact OE1-NE1 3.21Å; A307-W385 HydrophobicContact CB-CH2 4.04Å; A307-W385 HydrophobicContact CB-CZ2 3.7Å; A307-W385 WeakPolarHBondContact O-CH2 3.36Å; L310-W385 HydrophobicContact CB-CH2 3.77Å; L310-W385 HydrophobicContact CB-CZ3 3.65Å; L310-W385 HydrophobicContact CD1-CE3 4.37Å; L310-W385 HydrophobicContact CD1-CH2 4.46Å; L310-W385 HydrophobicContact CD1-CZ3 3.62Å; L310-W385 HydrophobicContact CG-CZ3 4.28Å; R311-W385 HydrophobicContact CG-CH2 3.94Å; R311-W385 HydrophobicContact CG-CZ2 3.84Å; S381-W385 WeakPolarHBondContact O-CB 3.31Å; S381-W385 PolarHBondContact O-N 2.84Å; S382-W385 PolarHBondContact O-N 2.91Å; M383-W385 VanDerWaalsContact C-N 3.29Å; M383-W385 PolarHBondContact O-N 3.42Å; W385-Y387 VanDerWaalsContact C-N 3.33Å; W385-Y387 PolarHBondContact O-N 2.73Å; W385-K388 PolarHBondContact O-N 2.81Å; W385-N389 VanDerWaalsContact CE2-ND2 3.27Å; W385-N389 HydrophobicContact CH2-CB 4.45Å; W385-N389 HydrophobicContact CZ3-CB 4.48Å; W385-N389 PolarHBondContact NE1-ND2 2.91Å; W385-N389 WeakPolarHBondContact O-CB 2.99Å; W385-N389 PolarHBondContact O-N 2.74Å; W385-N389 PolarHBondContact O-ND2 3.06Å
386	A	98.3	Very high	96.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-59	-46.8	178.5	0	0	0	0	0	110.8	Y320 S382 M383 N389 G390 I391 A394	Y320-A386 HydrophobicContact CD1-CB 3.86Å; Y320-A386 HydrophobicContact CD2-CB 3.86Å; Y320-A386 HydrophobicContact CE1-CB 4.48Å; Y320-A386 HydrophobicContact CG-CB 3.54Å; S382-A386 WeakPolarHBondContact O-CB 3.32Å; S382-A386 PolarHBondContact O-N 3.04Å; M383-A386 PolarHBondContact O-N 3.32Å; A386-N389 PolarHBondContact O-N 2.89Å; A386-G390 PolarHBondContact O-N 3.08Å; A386-I391 HydrophobicContact CB-CD1 4.03Å; A386-I391 WeakPolarHBondContact O-CB 3.27Å; A386-I391 PolarHBondContact O-N 2.81Å; A386-I391 VanDerWaalsContact O-N 3.14Å; A386-A394 HydrophobicContact CB-CB 4.37Å
387	Y	97.6	Very high	97.1	Very high	28 Å²	28	16.1 Å²	16.1	11%	0.11	9%	0.092	C	C	.	.	H	α-helix	trans	-62.9	-49.2	177.7	-170.4	-97.7	0	0	0	112.4	P333 Y334 I341 P342 N343 M383 W385 N389 G390 I391 A394	P333-Y387 HydrophobicContact CB-CD1 4.26Å; P333-Y387 HydrophobicContact CB-CG 4.15Å; P333-Y387 HydrophobicContact CG-CD1 4.41Å; P333-Y387 HydrophobicContact CG-CD2 4.14Å; P333-Y387 HydrophobicContact CG-CG 3.8Å; Y334-Y387 AromaticContact CE1-CD1 3.93Å; Y334-Y387 HydrophobicContact CE1-CD1 3.93Å; Y334-Y387 HydrophobicContact CE1-CE1 4.26Å; I341-Y387 HydrophobicContact CB-CE1 4.2Å; I341-Y387 HydrophobicContact CG2-CD1 4.46Å; I341-Y387 HydrophobicContact CG2-CE1 3.87Å; P342-Y387 VanDerWaalsContact CD-OH 3.3Å; P342-Y387 WeakPolarHBondContact CD-OH 3.22Å; N343-Y387 VanDerWaalsContact OD1-CE2 3.31Å; N343-Y387 WeakPolarHBondContact OD1-CE2 3.06Å; N343-Y387 PolarHBondContact OD1-OH 3.37Å; M383-Y387 WeakPolarHBondContact O-CB 3.46Å; M383-Y387 PolarHBondContact O-N 3.12Å; W385-Y387 VanDerWaalsContact C-N 3.33Å; W385-Y387 PolarHBondContact O-N 2.73Å; Y387-N389 PolarHBondContact O-N 3.21Å; Y387-G390 PolarHBondContact O-N 3.13Å; Y387-I391 WeakPolarHBondContact CA-O 3.33Å; Y387-A394 HydrophobicContact CD2-CB 4.49Å
388	K	96.9	Very high	97.3	Very high	127 Å²	127	17 Å²	17	55%	0.552	10%	0.096	S	C	*	.	H	α-helix	trans	-60.6	-26.9	176.9	-174.6	172.7	-179.2	178.4	0	112.9	V276 D384 W385 G390	V276-K388 HydrophobicContact CG2-CB 4.48Å; V276-K388 HydrophobicContact CG2-CD 3.82Å; D384-K388 VanDerWaalsContact O-CB 3.25Å; D384-K388 WeakPolarHBondContact O-CB 3.44Å; D384-K388 PolarHBondContact O-N 3.19Å; W385-K388 PolarHBondContact O-N 2.81Å; K388-G390 VanDerWaalsContact C-N 3.3Å
389	N	96.4	Very high	97.6	Very high	42 Å²	42	16.6 Å²	16.6	23%	0.225	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	13.7	177.3	-77.5	-91.1	0	0	0	113.9	W385 A386 Y387	W385-N389 VanDerWaalsContact CE2-ND2 3.27Å; W385-N389 HydrophobicContact CH2-CB 4.45Å; W385-N389 HydrophobicContact CZ3-CB 4.48Å; W385-N389 PolarHBondContact NE1-ND2 2.91Å; W385-N389 WeakPolarHBondContact O-CB 2.99Å; W385-N389 PolarHBondContact O-N 2.74Å; W385-N389 PolarHBondContact O-ND2 3.06Å; A386-N389 PolarHBondContact O-N 2.89Å; Y387-N389 PolarHBondContact O-N 3.21Å
390	G	94.2	Very high	97.7	Very high	48 Å²	48	18 Å²	18	50%	0.495	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.4	14.9	168.5	0	0	0	0	0	115.3	A386 Y387 K388 P392	A386-G390 PolarHBondContact O-N 3.08Å; Y387-G390 PolarHBondContact O-N 3.13Å; K388-G390 VanDerWaalsContact C-N 3.3Å; G390-P392 WeakPolarHBondContact O-CD 3.36Å
391	I	96.4	Very high	97.7	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.015	10%	0.102	C	C	.	.			trans	-86.7	109.9	170.2	-58.6	173.7	0	0	0	108.1	L310 I317 A386 Y387 Y393	L310-I391 HydrophobicContact CD2-CD1 4.43Å; I317-I391 HydrophobicContact CB-CD1 4.33Å; I317-I391 HydrophobicContact CB-CG1 4.49Å; I317-I391 HydrophobicContact CG2-CD1 3.78Å; I317-I391 HydrophobicContact CG2-CG1 4.18Å; I317-I391 HydrophobicContact CG2-CG2 4.24Å; A386-I391 HydrophobicContact CB-CD1 4.03Å; A386-I391 WeakPolarHBondContact O-CB 3.27Å; A386-I391 PolarHBondContact O-N 2.81Å; A386-I391 VanDerWaalsContact O-N 3.14Å; Y387-I391 WeakPolarHBondContact CA-O 3.33Å; I391-Y393 VanDerWaalsContact C-N 3.34Å; I391-Y393 PolarHBondContact O-N 3.37Å
392	P	94.8	Very high	97.5	Very high	34 Å²	34	21.8 Å²	21.8	22%	0.221	12%	0.121	C	C	.	.	S	Bend	trans	-72.2	-22.1	-166.8	24.5	-32.3	0	0	0	114.9	R318 N343 G390	R318-P392 WeakPolarHBondContact O-CD 3.48Å; R318-P392 WeakPolarHBondContact O-CG 3.33Å; N343-P392 PolarHBondContact ND2-O 3.37Å; G390-P392 WeakPolarHBondContact O-CD 3.36Å
393	Y	97.1	Very high	97.1	Very high	19 Å²	19	21.8 Å²	21.8	8%	0.075	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	98.6	177.6	-63.9	-92.3	0	0	0	109.1	R318 A319 Y320 C346 V347 A350 I391 F395 H431 L432	R318-Y393 PolarHBondContact O-N 3.39Å; A319-Y393 CarbonylContact C-O 3.47Å; A319-Y393 WeakPolarHBondContact CA-O 3.39Å; Y320-Y393 PolarHBondContact N-O 2.9Å; C346-Y393 HydrophobicContact CB-CE1 4.1Å; V347-Y393 HydrophobicContact CG2-CD1 4.08Å; V347-Y393 HydrophobicContact CG2-CE1 4.38Å; A350-Y393 HydrophobicContact CB-CE1 4.49Å; I391-Y393 VanDerWaalsContact C-N 3.34Å; I391-Y393 PolarHBondContact O-N 3.37Å; Y393-F395 HydrophobicContact CD1-CE2 4.18Å; Y393-H431 AromaticContact CE1-CD2 3.87Å; Y393-L432 HydrophobicContact CD1-CD2 4Å; Y393-L432 HydrophobicContact CD2-CD2 3.07Å; Y393-L432 HydrophobicContact CE1-CD2 4.36Å; Y393-L432 HydrophobicContact CE2-CD2 3.53Å; Y393-L432 HydrophobicContact CG-CD2 3.34Å
394	A	98.1	Very high	96.8	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.008	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	124.3	176.1	0	0	0	0	0	108.5	Y320 P333 M383 A386 Y387	Y320-A394 CarbonylContact O-C 3.22Å; Y320-A394 WeakPolarHBondContact O-CA 3.41Å; P333-A394 WeakPolarHBondContact CD-O 3.34Å; P333-A394 HydrophobicContact CG-CB 4.09Å; M383-A394 HydrophobicContact CG-CB 3.73Å; M383-A394 WeakPolarHBondContact O-CB 3.31Å; A386-A394 HydrophobicContact CB-CB 4.37Å; Y387-A394 HydrophobicContact CD2-CB 4.49Å
395	F	98.8	Very high	96.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	146.7	-179.8	-65.8	-78.4	0	0	0	110.9	Y320 L321 S322 L330 L331 Y332 V347 A350 A351 Y393 I428	Y320-F395 PolarHBondContact O-N 2.64Å; L321-F395 WeakPolarHBondContact CA-O 3.47Å; L321-F395 HydrophobicContact CD2-CB 3.89Å; L321-F395 HydrophobicContact CD2-CD2 3.8Å; L321-F395 HydrophobicContact CD2-CG 4.31Å; S322-F395 PolarHBondContact N-O 3.09Å; L330-F395 HydrophobicContact CD1-CB 3.88Å; L330-F395 HydrophobicContact CD1-CD1 3.84Å; L330-F395 HydrophobicContact CD1-CG 4.12Å; L330-F395 HydrophobicContact CG-CD1 4.23Å; L331-F395 CarbonylContact O-C 3.47Å; L331-F395 VanDerWaalsContact O-CA 3.23Å; L331-F395 WeakPolarHBondContact O-CA 3.41Å; Y332-F395 HydrophobicContact CD1-CD1 4.46Å; Y332-F395 HydrophobicContact CD1-CE1 4.06Å; Y332-F395 HydrophobicContact CG-CE1 4.31Å; V347-F395 HydrophobicContact CB-CZ 4.48Å; V347-F395 HydrophobicContact CG1-CE1 3.69Å; V347-F395 HydrophobicContact CG1-CZ 3.7Å; A350-F395 HydrophobicContact CB-CZ 4.16Å; A351-F395 HydrophobicContact CB-CE1 4Å; Y393-F395 HydrophobicContact CD1-CE2 4.18Å; F395-I428 HydrophobicContact CD2-CD1 4.05Å; F395-I428 HydrophobicContact CD2-CG2 4.04Å; F395-I428 HydrophobicContact CE2-CD1 4.31Å; F395-I428 HydrophobicContact CE2-CG1 4.49Å; F395-I428 HydrophobicContact CE2-CG2 3.85Å; F395-I428 HydrophobicContact CG-CD1 4.32Å
396	A	98.8	Very high	96.3	Very high	8 Å²	8	29.4 Å²	29.4	7%	0.066	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	126.9	167.1	0	0	0	0	0	109.2	S322 L331 M383	S322-A396 CarbonylContact O-C 3.55Å; S322-A396 VanDerWaalsContact O-CA 3.31Å; S322-A396 WeakPolarHBondContact O-CA 3.46Å; L331-A396 HydrophobicContact CB-CB 4.37Å; L331-A396 PolarHBondContact N-O 3.3Å; L331-A396 PolarHBondContact O-N 3.25Å; M383-A396 HydrophobicContact SD-CB 3.85Å; M383-A396 PolarHBondContact SD-N 3.29Å
397	F	98.9	Very high	96.2	Very high	1 Å²	1	29.8 Å²	29.8	0%	0.004	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	127.5	173.4	-76.7	-98.7	0	0	0	109.2	S322 F323 H324 M329 L330 L399 T421 A424 V425 I428	S322-F397 PolarHBondContact O-N 3.25Å; F323-F397 HydrophobicContact CD1-CB 3.63Å; F323-F397 AromaticContact CD1-CD2 3.95Å; F323-F397 HydrophobicContact CD1-CD2 3.95Å; F323-F397 AromaticContact CD1-CG 3.85Å; F323-F397 HydrophobicContact CD1-CG 3.85Å; F323-F397 HydrophobicContact CE1-CB 3.86Å; F323-F397 HydrophobicContact CE1-CD1 4.14Å; F323-F397 AromaticContact CE1-CD2 3.34Å; F323-F397 HydrophobicContact CE1-CD2 3.34Å; F323-F397 AromaticContact CE1-CE2 3.84Å; F323-F397 HydrophobicContact CE1-CE2 3.84Å; F323-F397 AromaticContact CE1-CG 3.51Å; F323-F397 HydrophobicContact CE1-CG 3.51Å; F323-F397 HydrophobicContact CE1-CZ 4.4Å; F323-F397 HydrophobicContact CE2-CD2 4.44Å; F323-F397 HydrophobicContact CG-CB 4.43Å; F323-F397 AromaticContact CZ-CD2 3.62Å; F323-F397 HydrophobicContact CZ-CD2 3.62Å; F323-F397 AromaticContact CZ-CE2 3.82Å; F323-F397 HydrophobicContact CZ-CE2 3.82Å; F323-F397 HydrophobicContact CZ-CG 4.27Å; H324-F397 CarbonylContact C-O 3.58Å; H324-F397 WeakPolarHBondContact CA-O 3.29Å; H324-F397 VanDerWaalsContact CB-O 3.3Å; H324-F397 WeakPolarHBondContact CB-O 3.22Å; H324-F397 PolarHBondContact N-O 3.39Å; M329-F397 CarbonylContact O-C 3.58Å; M329-F397 WeakPolarHBondContact O-CA 3.34Å; L330-F397 HydrophobicContact CD1-CD1 3.99Å; L330-F397 HydrophobicContact CD1-CD2 3.85Å; L330-F397 HydrophobicContact CD1-CE1 3.73Å; L330-F397 HydrophobicContact CD1-CE2 3.57Å; L330-F397 HydrophobicContact CD1-CG 4.05Å; L330-F397 HydrophobicContact CD1-CZ 3.51Å; L330-F397 HydrophobicContact CD2-CE1 4.32Å; L330-F397 HydrophobicContact CD2-CZ 4.25Å; L330-F397 HydrophobicContact CG-CE1 4.43Å; L330-F397 HydrophobicContact CG-CZ 4.46Å; F397-L399 HydrophobicContact CB-CD2 4.06Å; F397-L399 HydrophobicContact CD1-CD2 4.43Å; F397-T421 HydrophobicContact CD1-CG2 4.43Å; F397-A424 HydrophobicContact CE1-CB 3.8Å; F397-A424 HydrophobicContact CZ-CB 3.99Å; F397-V425 HydrophobicContact CZ-CG2 4.49Å; F397-I428 HydrophobicContact CE2-CD1 3.92Å; F397-I428 HydrophobicContact CZ-CD1 3.66Å
398	E	98.7	Very high	96.1	Very high	22 Å²	22	29.6 Å²	29.6	10%	0.103	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	102.1	160.1	-62.3	-65.4	168.7	0	0	107.2	H324 A325 A327 Q328 M329 L331 Y366	H324-E398 WeakPolarHBondContact CB-OE2 3.26Å; A325-E398 PolarHBondContact N-OE2 3.36Å; A327-E398 HydrophobicContact CB-CB 3.84Å; A327-E398 HydrophobicContact CB-CG 4.33Å; Q328-E398 CarbonylContact C-O 3.54Å; Q328-E398 WeakPolarHBondContact CA-O 3.49Å; Q328-E398 PolarHBondContact N-O 3.28Å; M329-E398 HydrophobicContact CB-CB 4.03Å; M329-E398 HydrophobicContact CB-CG 4.27Å; M329-E398 PolarHBondContact N-O 3.15Å; M329-E398 PolarHBondContact O-N 3.41Å; L331-E398 HydrophobicContact CD1-CG 4.22Å; Y366-E398 WeakPolarHBondContact CE1-O 3.45Å
399	L	98.8	Very high	96.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	-172.8	-174.5	-62.7	-180	0	0	0	112.2	I201 F205 F323 H324 A325 Y326 A327 Q328 F397 T417 T421	I201-L399 HydrophobicContact CG1-CD1 4.17Å; I201-L399 HydrophobicContact CG2-CB 4.16Å; I201-L399 HydrophobicContact CG2-CD1 4.24Å; F205-L399 HydrophobicContact CB-CD1 4.18Å; F323-L399 HydrophobicContact CD1-CD1 4.31Å; F323-L399 HydrophobicContact CD1-CD2 4.19Å; F323-L399 HydrophobicContact CD1-CG 4.46Å; H324-L399 WeakPolarHBondContact O-CB 3.34Å; H324-L399 WeakPolarHBondContact O-CG 3.44Å; H324-L399 PolarHBondContact O-N 3.27Å; A325-L399 HydrophobicContact CB-CB 4.39Å; Y326-L399 WeakPolarHBondContact CA-O 3.5Å; A327-L399 PolarHBondContact N-O 3.32Å; A327-L399 VanDerWaalsContact N-O 3.11Å; Q328-L399 PolarHBondContact N-O 3.44Å; F397-L399 HydrophobicContact CB-CD2 4.06Å; F397-L399 HydrophobicContact CD1-CD2 4.43Å; L399-T417 HydrophobicContact CB-CG2 4.22Å; L399-T417 HydrophobicContact CD1-CG2 4.5Å; L399-T421 HydrophobicContact CD2-CG2 3.75Å; L399-T421 WeakPolarHBondContact CD2-OG1 3.49Å
400	R	98.4	Very high	96	Very high	29 Å²	29	23.4 Å²	23.4	11%	0.109	13%	0.133	C	C	.	.	S	Bend	trans	-56.8	152.7	175.8	-67.2	-161.2	-168.6	-172.6	4.3	112.1	Q328 Y366 L409 T417 E420	Q328-R400 HydrophobicContact CG-CG 4.4Å; Y366-R400 PolarHBondContact OH-N 3.49Å; R400-L409 HydrophobicContact CB-CD1 4.13Å; R400-L409 HydrophobicContact CB-CD2 3.97Å; R400-T417 HydrophobicContact CB-CG2 4.1Å; R400-T417 WeakPolarHBondContact CD-OG1 3.24Å; R400-T417 HydrophobicContact CG-CG2 4.02Å; R400-E420 WeakPolarHBondContact CG-OE1 3.3Å; R400-E420 IonicContact CZ-OE1 2.72Å; R400-E420 IonicContact CZ-OE2 3.92Å; R400-E420 IonicContact NE-OE1 2.71Å; R400-E420 PolarHBondContact NE-OE1 3.38Å; R400-E420 IonicContact NE-OE2 3.45Å; R400-E420 PolarHBondContact NE-OE2 3.03Å; R400-E420 IonicContact NH2-OE1 3.09Å; R400-E420 IonicContact NH2-OE2 3.67Å; R400-E420 PolarHBondContact NH2-OE2 3.19Å
401	D	96.9	Very high	96	Very high	14 Å²	14	22.1 Å²	22.1	8%	0.075	12%	0.115	C	C	.	.			cis	-105.7	-150.7	-4.5	64.8	-1.7	0	0	0	111.2	Y326 A327 G403 H404 F405 G406 L409	Y326-D401 WeakPolarHBondContact CB-O 3.36Å; A327-D401 WeakPolarHBondContact CA-O 3.25Å; A327-D401 PolarHBondContact N-O 2.67Å; A327-D401 VanDerWaalsContact N-O 3.16Å; D401-G403 WeakPolarHBondContact OD1-CA 3.32Å; D401-G403 PolarHBondContact OD1-N 2.84Å; D401-H404 WeakPolarHBondContact OD2-CA 3.41Å; D401-H404 WeakPolarHBondContact OD2-CB 3.33Å; D401-H404 PolarHBondContact OD2-N 3.31Å; D401-H404 VanDerWaalsContact OD2-N 3.11Å; D401-F405 VanDerWaalsContact OD2-CD2 3.31Å; D401-F405 WeakPolarHBondContact OD2-CD2 3.39Å; D401-F405 PolarHBondContact OD2-N 3.02Å; D401-G406 WeakPolarHBondContact OD1-CA 3.5Å; D401-G406 PolarHBondContact OD1-N 3.3Å; D401-L409 HydrophobicContact CB-CD1 4.01Å
402	T	94.9	Very high	95.9	Very high	70 Å²	70	29.4 Å²	29.4	43%	0.429	15%	0.151	S	C	.	.	S	Bend	trans	-103.7	26.4	172.5	57.5	0	0	0	0	111.6	R44 Q328	R44-T402 VanDerWaalsContact CZ-O 3.23Å; R44-T402 PolarHBondContact NH1-O 3.34Å; R44-T402 PolarHBondContact NH2-O 3.17Å; Q328-T402 HydrophobicContact CB-CG2 4.21Å; Q328-T402 HydrophobicContact CG-CG2 3.98Å
403	G	90.3	Very high	96	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.01	15%	0.149	C	C	.	.	S	Bend	trans	105.3	1.7	170.3	0	0	0	0	0	116.8	L108 D401 F405	L108-G403 WeakPolarHBondContact CD1-O 3.5Å; D401-G403 WeakPolarHBondContact OD1-CA 3.32Å; D401-G403 PolarHBondContact OD1-N 2.84Å; G403-F405 VanDerWaalsContact C-N 3.33Å; G403-F405 PolarHBondContact O-N 3.08Å
404	H	90.7	Very high	96.1	Very high	112 Å²	112	28.7 Å²	28.7	52%	0.519	15%	0.146	S	C	.	.	S	Bend	trans	-61.8	-44.8	175.1	176.6	50.3	0	0	0	111.4	D401	D401-H404 WeakPolarHBondContact OD2-CA 3.41Å; D401-H404 WeakPolarHBondContact OD2-CB 3.33Å; D401-H404 PolarHBondContact OD2-N 3.31Å; D401-H404 VanDerWaalsContact OD2-N 3.11Å
405	F	92.7	Very high	96.1	Very high	58 Å²	58	33 Å²	33	25%	0.254	17%	0.165	S	C	.	.	S	Bend	trans	-104	-28.8	169.9	-56.2	-70	0	0	0	111.8	D401 G403 F407 L408 L409 P410 L413	D401-F405 VanDerWaalsContact OD2-CD2 3.31Å; D401-F405 WeakPolarHBondContact OD2-CD2 3.39Å; D401-F405 PolarHBondContact OD2-N 3.02Å; G403-F405 VanDerWaalsContact C-N 3.33Å; G403-F405 PolarHBondContact O-N 3.08Å; F405-F407 PolarHBondContact O-N 3.28Å; F405-L408 PolarHBondContact O-N 2.79Å; F405-L409 HydrophobicContact CB-CD1 4.49Å; F405-L409 HydrophobicContact CD2-CD1 4.1Å; F405-P410 HydrophobicContact CD1-CG 3.76Å; F405-P410 HydrophobicContact CD2-CG 4.24Å; F405-P410 HydrophobicContact CE1-CG 3.6Å; F405-P410 HydrophobicContact CE2-CG 4.07Å; F405-P410 VanDerWaalsContact CG-CD 3.4Å; F405-P410 HydrophobicContact CG-CG 4.08Å; F405-P410 HydrophobicContact CZ-CG 3.76Å; F405-L413 HydrophobicContact CD2-CD1 4.22Å; F405-L413 HydrophobicContact CE2-CD1 3.89Å
406	G	94.8	Very high	96.1	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.01	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	55.9	-121.2	-175.3	0	0	0	0	0	111.1	Y326 D401 L408	Y326-G406 VanDerWaalsContact CD1-C 3.44Å; D401-G406 WeakPolarHBondContact OD1-CA 3.5Å; D401-G406 PolarHBondContact OD1-N 3.3Å; G406-L408 PolarHBondContact O-N 2.61Å
407	F	96.1	Very high	96.1	Very high	8 Å²	8	34 Å²	34	4%	0.035	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-72	-8.1	179	-52.8	-57.2	0	0	0	114.5	W68 R198 E199 R251 F252 A325 Y326 F405	W68-F407 HydrophobicContact CB-CE2 3.72Å; W68-F407 HydrophobicContact CB-CZ 4.26Å; W68-F407 AromaticContact CD1-CE2 3.71Å; W68-F407 AromaticContact CD2-CD2 3.5Å; W68-F407 HydrophobicContact CD2-CD2 3.5Å; W68-F407 VanDerWaalsContact CD2-CD2 3.5Å; W68-F407 AromaticContact CD2-CE2 3.47Å; W68-F407 HydrophobicContact CD2-CE2 3.47Å; W68-F407 VanDerWaalsContact CD2-CE2 3.47Å; W68-F407 AromaticContact CE2-CD2 3.65Å; W68-F407 AromaticContact CE2-CE2 3.9Å; W68-F407 AromaticContact CE3-CD2 3.73Å; W68-F407 HydrophobicContact CE3-CD2 3.73Å; W68-F407 AromaticContact CE3-CE2 3.97Å; W68-F407 HydrophobicContact CE3-CE2 3.97Å; W68-F407 AromaticContact CG-CD2 3.93Å; W68-F407 HydrophobicContact CG-CD2 3.93Å; W68-F407 AromaticContact CG-CE2 3.36Å; W68-F407 HydrophobicContact CG-CE2 3.36Å; W68-F407 HydrophobicContact CG-CZ 4.35Å; W68-F407 HydrophobicContact CH2-CD2 4.25Å; W68-F407 HydrophobicContact CZ2-CD2 4.05Å; W68-F407 HydrophobicContact CZ3-CD2 4.1Å; W68-F407 AromaticContact NE1-CE2 3.97Å; R198-F407 HydrophobicContact CG-CD1 4.09Å; R198-F407 HydrophobicContact CG-CD2 4.22Å; R198-F407 HydrophobicContact CG-CE1 4.31Å; R198-F407 HydrophobicContact CG-CE2 4.44Å; R198-F407 HydrophobicContact CG-CG 4.06Å; R198-F407 VanDerWaalsContact CZ-CE2 3.49Å; E199-F407 HydrophobicContact CG-CD1 3.94Å; E199-F407 HydrophobicContact CG-CE1 3.91Å; R251-F407 PolarHBondContact NH2-O 3.12Å; F252-F407 HydrophobicContact CD1-CD2 4.38Å; F252-F407 HydrophobicContact CE1-CB 4.46Å; A325-F407 VanDerWaalsContact O-CE1 3.26Å; A325-F407 WeakPolarHBondContact O-CE1 3.44Å; Y326-F407 AromaticContact CD1-CD1 3.73Å; Y326-F407 HydrophobicContact CD1-CD1 3.73Å; Y326-F407 AromaticContact CD1-CE1 3.58Å; Y326-F407 HydrophobicContact CD1-CE1 3.58Å; Y326-F407 HydrophobicContact CD1-CG 4.25Å; Y326-F407 AromaticContact CD1-CZ 3.98Å; Y326-F407 HydrophobicContact CD1-CZ 3.98Å; Y326-F407 HydrophobicContact CE1-CD1 4.11Å; Y326-F407 HydrophobicContact CE1-CD2 4.23Å; Y326-F407 AromaticContact CE1-CE1 3.82Å; Y326-F407 HydrophobicContact CE1-CE1 3.82Å; Y326-F407 AromaticContact CE1-CE2 3.95Å; Y326-F407 HydrophobicContact CE1-CE2 3.95Å; Y326-F407 HydrophobicContact CE1-CG 4.3Å; Y326-F407 AromaticContact CE1-CZ 3.71Å; Y326-F407 HydrophobicContact CE1-CZ 3.71Å; F405-F407 PolarHBondContact O-N 3.28Å
408	L	95.6	Very high	96	Very high	23 Å²	23	33.9 Å²	33.9	12%	0.12	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-101.7	28.4	179.9	-60.1	-172.9	0	0	0	113.4	I109 L112 T115 L116 R251 F252 F405 G406 P410	I109-L408 HydrophobicContact CD1-CD1 4.46Å; L112-L408 HydrophobicContact CD1-CD1 3.69Å; T115-L408 HydrophobicContact CG2-CD1 3.79Å; L116-L408 HydrophobicContact CD2-CD1 3.98Å; L116-L408 HydrophobicContact CD2-CD2 3.47Å; L116-L408 VanDerWaalsContact CD2-CD2 3.47Å; L116-L408 HydrophobicContact CD2-CG 4.39Å; L116-L408 HydrophobicContact CG-CD1 4.32Å; R251-L408 HydrophobicContact CG-CD2 4.21Å; F252-L408 HydrophobicContact CE1-CD1 4.46Å; F252-L408 HydrophobicContact CE1-CD2 3.81Å; F252-L408 HydrophobicContact CE1-CG 4.01Å; F252-L408 HydrophobicContact CZ-CD1 4.01Å; F252-L408 HydrophobicContact CZ-CD2 3.81Å; F252-L408 HydrophobicContact CZ-CG 4.03Å; F405-L408 PolarHBondContact O-N 2.79Å; G406-L408 PolarHBondContact O-N 2.61Å; L408-P410 WeakPolarHBondContact O-CD 3.49Å; L408-P410 VanDerWaalsContact O-N 3.13Å
409	L	95.9	Very high	96	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.177	C	C	.	.			trans	-48.7	119.2	179.6	-168.3	75.7	0	0	0	111.2	Y139 I201 R400 D401 F405 L413	Y139-L409 VanDerWaalsContact CE2-O 3.24Å; Y139-L409 WeakPolarHBondContact CE2-O 3.38Å; Y139-L409 PolarHBondContact OH-O 2.8Å; I201-L409 HydrophobicContact CB-CD2 4.23Å; I201-L409 HydrophobicContact CD1-CD2 4.05Å; I201-L409 HydrophobicContact CG1-CD2 3.85Å; R400-L409 HydrophobicContact CB-CD1 4.13Å; R400-L409 HydrophobicContact CB-CD2 3.97Å; D401-L409 HydrophobicContact CB-CD1 4.01Å; F405-L409 HydrophobicContact CB-CD1 4.49Å; F405-L409 HydrophobicContact CD2-CD1 4.1Å; L409-L413 HydrophobicContact CD1-CB 4.26Å; L409-L413 HydrophobicContact CD1-CD1 3.69Å; L409-L413 HydrophobicContact CD2-CB 4.29Å; L409-L413 HydrophobicContact CG-CB 4.05Å; L409-L413 HydrophobicContact CG-CD1 4.31Å
410	P	94.8	Very high	96	Very high	38 Å²	38	34.8 Å²	34.8	25%	0.247	18%	0.177	C	C	.	.			trans	-59.3	148.9	-175.9	-28.6	34.6	0	0	0	113.7	F405 L408 M412 L413	F405-P410 HydrophobicContact CD1-CG 3.76Å; F405-P410 HydrophobicContact CD2-CG 4.24Å; F405-P410 HydrophobicContact CE1-CG 3.6Å; F405-P410 HydrophobicContact CE2-CG 4.07Å; F405-P410 VanDerWaalsContact CG-CD 3.4Å; F405-P410 HydrophobicContact CG-CG 4.08Å; F405-P410 HydrophobicContact CZ-CG 3.76Å; L408-P410 WeakPolarHBondContact O-CD 3.49Å; L408-P410 VanDerWaalsContact O-N 3.13Å; P410-M412 HydrophobicContact CB-CG 4Å; P410-M412 PolarHBondContact O-N 2.8Å; P410-L413 WeakPolarHBondContact O-CA 3.4Å; P410-L413 WeakPolarHBondContact O-CB 3.39Å; P410-L413 PolarHBondContact O-N 2.91Å
411	E	94.1	Very high	96	Very high	22 Å²	22	33.4 Å²	33.4	10%	0.103	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-59.7	-33.4	-178.1	-69.8	-178.8	148.7	0	0	113.4	R126 V138 Y139 L413 I414	R126-E411 IonicContact CZ-OE1 2.8Å; R126-E411 IonicContact CZ-OE2 3.32Å; R126-E411 IonicContact NH1-OE1 3.13Å; R126-E411 PolarHBondContact NH1-OE1 3.16Å; R126-E411 IonicContact NH1-OE2 3.68Å; R126-E411 PolarHBondContact NH1-OE2 3.42Å; R126-E411 IonicContact NH2-OE2 3.99Å; R126-E411 PolarHBondContact NH2-OE2 3.5Å; V138-E411 WeakPolarHBondContact CB-OE1 3.42Å; Y139-E411 HydrophobicContact CD2-CG 3.64Å; Y139-E411 HydrophobicContact CE2-CG 3.92Å; Y139-E411 HydrophobicContact CG-CG 4.48Å; Y139-E411 PolarHBondContact N-OE1 3.04Å; E411-L413 PolarHBondContact O-N 2.84Å; E411-I414 HydrophobicContact CB-CD1 4.05Å; E411-I414 HydrophobicContact CG-CD1 4.03Å; E411-I414 VanDerWaalsContact O-CB 3.29Å; E411-I414 WeakPolarHBondContact O-CB 3.36Å; E411-I414 WeakPolarHBondContact O-CG1 3.36Å; E411-I414 PolarHBondContact O-N 3.27Å
412	M	94.6	Very high	96.1	Very high	156 Å²	156	33 Å²	33	77%	0.768	17%	0.169	S	C	*	.	G	3₁₀ helix	trans	-59.4	-19.3	173.8	66.9	-175.7	-67.7	0	0	113.6	P410 P416	P410-M412 HydrophobicContact CB-CG 4Å; P410-M412 PolarHBondContact O-N 2.8Å; M412-P416 VanDerWaalsContact O-CD 3.32Å; M412-P416 WeakPolarHBondContact O-CD 3.39Å
413	L	97.4	Very high	96.2	Very high	37 Å²	37	32.4 Å²	32.4	19%	0.194	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-94.6	-3.2	175.7	-63.5	-177.8	0	0	0	113.4	F405 L409 P410 E411 P416 T417	F405-L413 HydrophobicContact CD2-CD1 4.22Å; F405-L413 HydrophobicContact CE2-CD1 3.89Å; L409-L413 HydrophobicContact CD1-CB 4.26Å; L409-L413 HydrophobicContact CD1-CD1 3.69Å; L409-L413 HydrophobicContact CD2-CB 4.29Å; L409-L413 HydrophobicContact CG-CB 4.05Å; L409-L413 HydrophobicContact CG-CD1 4.31Å; P410-L413 WeakPolarHBondContact O-CA 3.4Å; P410-L413 WeakPolarHBondContact O-CB 3.39Å; P410-L413 PolarHBondContact O-N 2.91Å; E411-L413 PolarHBondContact O-N 2.84Å; L413-P416 HydrophobicContact CD2-CG 4.46Å; L413-T417 VanDerWaalsContact O-CB 3.25Å; L413-T417 WeakPolarHBondContact O-CB 3.41Å; L413-T417 PolarHBondContact O-N 3.22Å; L413-T417 PolarHBondContact O-OG1 3.48Å
414	I	98.4	Very high	96.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.3	-55	175.2	-68.7	169	0	0	0	109.8	Y136 Y139 I201 A204 E411 T417 C418	Y136-I414 WeakPolarHBondContact O-CG2 3.09Å; Y139-I414 HydrophobicContact CD1-CD1 3.89Å; Y139-I414 HydrophobicContact CD2-CD1 4.25Å; Y139-I414 HydrophobicContact CE1-CD1 3.74Å; Y139-I414 HydrophobicContact CE1-CG1 3.99Å; Y139-I414 HydrophobicContact CE2-CD1 4.13Å; Y139-I414 HydrophobicContact CG-CD1 4.13Å; I201-I414 HydrophobicContact CD1-CB 4.36Å; I201-I414 HydrophobicContact CD1-CG1 4.01Å; I201-I414 HydrophobicContact CD1-CG2 4.44Å; A204-I414 HydrophobicContact CB-CG2 4.12Å; E411-I414 HydrophobicContact CB-CD1 4.05Å; E411-I414 HydrophobicContact CG-CD1 4.03Å; E411-I414 VanDerWaalsContact O-CB 3.29Å; E411-I414 WeakPolarHBondContact O-CB 3.36Å; E411-I414 WeakPolarHBondContact O-CG1 3.36Å; E411-I414 PolarHBondContact O-N 3.27Å; I414-T417 PolarHBondContact O-N 3.12Å; I414-C418 VanDerWaalsContact O-CB 3.32Å; I414-C418 WeakPolarHBondContact O-CB 3.19Å; I414-C418 PolarHBondContact O-N 2.74Å; I414-C418 PolarHBondContact O-SG 2.66Å
415	K	98.1	Very high	96.9	Very high	93 Å²	93	27 Å²	27	40%	0.404	14%	0.138	S	C	.	.	H	α-helix	trans	-58.5	-50.2	-179.8	167.8	177.1	-167.6	172.8	0	112.9	E137 W208 T417 C418 T419	E137-K415 HydrophobicContact CG-CB 4.13Å; E137-K415 WeakPolarHBondContact OE1-CD 3.39Å; E137-K415 IonicContact OE1-NZ 2.74Å; W208-K415 HydrophobicContact CH2-CB 3.69Å; W208-K415 HydrophobicContact CH2-CD 4.09Å; W208-K415 HydrophobicContact CH2-CG 3.56Å; W208-K415 HydrophobicContact CZ2-CB 4.46Å; W208-K415 HydrophobicContact CZ2-CG 4.06Å; W208-K415 HydrophobicContact CZ3-CB 4Å; W208-K415 HydrophobicContact CZ3-CG 4.37Å; K415-T417 PolarHBondContact O-N 3.39Å; K415-C418 PolarHBondContact O-N 2.75Å; K415-T419 VanDerWaalsContact O-CB 3.27Å; K415-T419 WeakPolarHBondContact O-CB 3.37Å; K415-T419 PolarHBondContact O-N 3.3Å; K415-T419 PolarHBondContact O-OG1 3.37Å
416	P	98.4	Very high	97.1	Very high	27 Å²	27	25.6 Å²	25.6	18%	0.175	13%	0.132	C	C	.	.	H	α-helix	trans	-55.1	-50	174.6	-28.7	34.2	0	0	0	113.2	Y362 M412 L413 C418 T419 E420	Y362-P416 HydrophobicContact CD2-CB 4.23Å; Y362-P416 VanDerWaalsContact CE2-CA 3.49Å; Y362-P416 HydrophobicContact CE2-CB 3.86Å; Y362-P416 VanDerWaalsContact CE2-O 3.28Å; Y362-P416 WeakPolarHBondContact CE2-O 3.48Å; M412-P416 VanDerWaalsContact O-CD 3.32Å; M412-P416 WeakPolarHBondContact O-CD 3.39Å; L413-P416 HydrophobicContact CD2-CG 4.46Å; P416-C418 PolarHBondContact O-N 3.16Å; P416-T419 PolarHBondContact O-N 3.41Å; P416-E420 WeakPolarHBondContact O-CG 3.48Å; P416-E420 PolarHBondContact O-N 3.03Å; P416-E420 VanDerWaalsContact O-N 3.14Å
417	T	98.8	Very high	97.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.8	-43.2	-179.2	-54.5	0	0	0	0	111.6	I201 L399 R400 L413 I414 K415 E420 T421	I201-T417 HydrophobicContact CD1-CG2 4.08Å; I201-T417 HydrophobicContact CG1-CG2 3.78Å; L399-T417 HydrophobicContact CB-CG2 4.22Å; L399-T417 HydrophobicContact CD1-CG2 4.5Å; R400-T417 HydrophobicContact CB-CG2 4.1Å; R400-T417 WeakPolarHBondContact CD-OG1 3.24Å; R400-T417 HydrophobicContact CG-CG2 4.02Å; L413-T417 VanDerWaalsContact O-CB 3.25Å; L413-T417 WeakPolarHBondContact O-CB 3.41Å; L413-T417 PolarHBondContact O-N 3.22Å; L413-T417 PolarHBondContact O-OG1 3.48Å; I414-T417 PolarHBondContact O-N 3.12Å; K415-T417 PolarHBondContact O-N 3.39Å; T417-E420 VanDerWaalsContact O-CG 3.29Å; T417-E420 WeakPolarHBondContact O-CG 3.13Å; T417-T421 VanDerWaalsContact O-CB 3.25Å; T417-T421 WeakPolarHBondContact O-CB 3.44Å; T417-T421 PolarHBondContact O-N 3.4Å; T417-T421 VanDerWaalsContact O-N 3.14Å; T417-T421 PolarHBondContact O-OG1 3.07Å
418	C	98.7	Very high	97.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-71.1	-35.7	-180	-65.9	0	0	0	0	112.5	F205 W208 I414 K415 P416 M422	F205-C418 HydrophobicContact CD2-CB 4.15Å; W208-C418 HydrophobicContact CB-CB 3.75Å; W208-C418 VanDerWaalsContact CD1-CB 3.5Å; W208-C418 HydrophobicContact CD2-CB 3.5Å; W208-C418 HydrophobicContact CE3-CB 4.13Å; W208-C418 HydrophobicContact CG-CB 3.29Å; I414-C418 VanDerWaalsContact O-CB 3.32Å; I414-C418 WeakPolarHBondContact O-CB 3.19Å; I414-C418 PolarHBondContact O-N 2.74Å; I414-C418 PolarHBondContact O-SG 2.66Å; K415-C418 PolarHBondContact O-N 2.75Å; P416-C418 PolarHBondContact O-N 3.16Å; C418-M422 VanDerWaalsContact O-CB 3.28Å; C418-M422 WeakPolarHBondContact O-CB 3.33Å; C418-M422 PolarHBondContact O-N 3.05Å
419	T	98.4	Very high	97	Very high	41 Å²	41	27 Å²	27	25%	0.252	14%	0.139	S	C	.	.	H	α-helix	trans	-67.1	-46	-178.9	-58.3	0	0	0	0	111.4	V361 Y362 K415 P416 M422	V361-T419 HydrophobicContact CG1-CG2 4.07Å; Y362-T419 HydrophobicContact CE2-CG2 4.46Å; K415-T419 VanDerWaalsContact O-CB 3.27Å; K415-T419 WeakPolarHBondContact O-CB 3.37Å; K415-T419 PolarHBondContact O-N 3.3Å; K415-T419 PolarHBondContact O-OG1 3.37Å; P416-T419 PolarHBondContact O-N 3.41Å; T419-M422 WeakPolarHBondContact O-CB 3.49Å; T419-M422 PolarHBondContact O-N 3.17Å
420	E	98.3	Very high	96.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-66.3	-42.8	176	70.9	-174.2	-169.4	0	0	111.8	L358 V361 Y362 R400 P416 T417 M422 L423 A424	L358-E420 HydrophobicContact CD1-CG 4.35Å; L358-E420 HydrophobicContact CD2-CB 3.89Å; L358-E420 HydrophobicContact CD2-CG 3.76Å; L358-E420 HydrophobicContact CG-CB 3.77Å; L358-E420 HydrophobicContact CG-CG 3.8Å; V361-E420 HydrophobicContact CB-CB 4.14Å; V361-E420 HydrophobicContact CG2-CB 4.25Å; Y362-E420 HydrophobicContact CD2-CB 4.16Å; R400-E420 WeakPolarHBondContact CG-OE1 3.3Å; R400-E420 IonicContact CZ-OE1 2.72Å; R400-E420 IonicContact CZ-OE2 3.92Å; R400-E420 IonicContact NE-OE1 2.71Å; R400-E420 PolarHBondContact NE-OE1 3.38Å; R400-E420 IonicContact NE-OE2 3.45Å; R400-E420 PolarHBondContact NE-OE2 3.03Å; R400-E420 IonicContact NH2-OE1 3.09Å; R400-E420 IonicContact NH2-OE2 3.67Å; R400-E420 PolarHBondContact NH2-OE2 3.19Å; P416-E420 WeakPolarHBondContact O-CG 3.48Å; P416-E420 PolarHBondContact O-N 3.03Å; P416-E420 VanDerWaalsContact O-N 3.14Å; T417-E420 VanDerWaalsContact O-CG 3.29Å; T417-E420 WeakPolarHBondContact O-CG 3.13Å; E420-M422 VanDerWaalsContact C-N 3.27Å; E420-M422 PolarHBondContact O-N 2.88Å; E420-L423 PolarHBondContact O-N 3.43Å; E420-L423 VanDerWaalsContact O-N 3.15Å; E420-A424 PolarHBondContact O-N 2.98Å
421	T	98.6	Very high	96.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65.3	-33.6	-180	-55.7	0	0	0	0	111.3	F205 F323 F397 L399 T417 L423 A424 V425	F205-T421 HydrophobicContact CD1-CG2 4.37Å; F205-T421 HydrophobicContact CD2-CG2 3.83Å; F205-T421 HydrophobicContact CE1-CG2 4.05Å; F205-T421 HydrophobicContact CE2-CG2 3.44Å; F205-T421 VanDerWaalsContact CE2-CG2 3.44Å; F205-T421 HydrophobicContact CG-CG2 4.27Å; F205-T421 HydrophobicContact CZ-CG2 3.57Å; F323-T421 HydrophobicContact CD1-CG2 4.18Å; F323-T421 HydrophobicContact CE1-CG2 3.58Å; F397-T421 HydrophobicContact CD1-CG2 4.43Å; L399-T421 HydrophobicContact CD2-CG2 3.75Å; L399-T421 WeakPolarHBondContact CD2-OG1 3.49Å; T417-T421 VanDerWaalsContact O-CB 3.25Å; T417-T421 WeakPolarHBondContact O-CB 3.44Å; T417-T421 PolarHBondContact O-N 3.4Å; T417-T421 VanDerWaalsContact O-N 3.14Å; T417-T421 PolarHBondContact O-OG1 3.07Å; T421-L423 VanDerWaalsContact C-N 3.26Å; T421-L423 PolarHBondContact O-N 2.94Å; T421-A424 WeakPolarHBondContact O-CB 3.46Å; T421-A424 PolarHBondContact O-N 3.11Å; T421-A424 VanDerWaalsContact O-N 3.16Å; T421-V425 HydrophobicContact CG2-CG2 4.5Å; T421-V425 PolarHBondContact O-N 3.42Å
422	M	98.1	Very high	96.3	Very high	5 Å²	5	27.6 Å²	27.6	3%	0.025	14%	0.139	C	C	.	.	H	α-helix	trans	-59	-37.7	175.9	-168.6	65.7	-178.8	0	0	112.1	F209 E212 M223 C418 T419 E420 V425 K426	F209-M422 HydrophobicContact CB-SD 4.46Å; F209-M422 HydrophobicContact CD2-CE 3.74Å; F209-M422 HydrophobicContact CD2-SD 3.49Å; F209-M422 WeakPolarHBondContact CD2-SD 3.38Å; F209-M422 HydrophobicContact CE2-CE 3.86Å; F209-M422 HydrophobicContact CE2-SD 4.07Å; F209-M422 HydrophobicContact CG-CE 4.49Å; F209-M422 HydrophobicContact CG-SD 4.32Å; E212-M422 HydrophobicContact CB-CE 3.62Å; E212-M422 HydrophobicContact CB-SD 4.24Å; E212-M422 HydrophobicContact CG-CE 4.47Å; M223-M422 HydrophobicContact CE-CE 3.11Å; C418-M422 VanDerWaalsContact O-CB 3.28Å; C418-M422 WeakPolarHBondContact O-CB 3.33Å; C418-M422 PolarHBondContact O-N 3.05Å; T419-M422 WeakPolarHBondContact O-CB 3.49Å; T419-M422 PolarHBondContact O-N 3.17Å; E420-M422 VanDerWaalsContact C-N 3.27Å; E420-M422 PolarHBondContact O-N 2.88Å; M422-V425 PolarHBondContact O-N 3.29Å; M422-K426 WeakPolarHBondContact O-CB 3.48Å; M422-K426 VanDerWaalsContact O-CG 3.29Å; M422-K426 WeakPolarHBondContact O-CG 3.43Å; M422-K426 PolarHBondContact O-N 3.06Å
423	L	97.6	Very high	95.9	Very high	57 Å²	57	22.4 Å²	22.4	30%	0.298	12%	0.115	S	C	.	.	H	α-helix	trans	-69.6	-37.1	176.7	-68	-163.4	0	0	0	112.6	A357 V361 E420 T421 K426 N427	A357-L423 HydrophobicContact CB-CB 4.26Å; V361-L423 HydrophobicContact CG2-CD1 3.29Å; V361-L423 HydrophobicContact CG2-CG 3.98Å; E420-L423 PolarHBondContact O-N 3.43Å; E420-L423 VanDerWaalsContact O-N 3.15Å; T421-L423 VanDerWaalsContact C-N 3.26Å; T421-L423 PolarHBondContact O-N 2.94Å; L423-K426 HydrophobicContact CD2-CD 4.31Å; L423-N427 WeakPolarHBondContact O-CB 3.44Å; L423-N427 PolarHBondContact O-N 2.9Å; L423-N427 PolarHBondContact O-ND2 3.04Å
424	A	97.9	Very high	95.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.6	-49.2	172.5	0	0	0	0	0	111.2	A354 L358 F397 E420 T421 K426 N427 I428	A354-A424 HydrophobicContact CB-CB 4.01Å; L358-A424 HydrophobicContact CB-CB 4.26Å; L358-A424 HydrophobicContact CD1-CB 4.2Å; F397-A424 HydrophobicContact CE1-CB 3.8Å; F397-A424 HydrophobicContact CZ-CB 3.99Å; E420-A424 PolarHBondContact O-N 2.98Å; T421-A424 WeakPolarHBondContact O-CB 3.46Å; T421-A424 PolarHBondContact O-N 3.11Å; T421-A424 VanDerWaalsContact O-N 3.16Å; A424-K426 PolarHBondContact O-N 3.27Å; A424-N427 PolarHBondContact O-N 3.05Å; A424-N427 VanDerWaalsContact O-N 3.14Å; A424-I428 WeakPolarHBondContact O-CG1 3.47Å; A424-I428 PolarHBondContact O-N 3.49Å
425	V	97.8	Very high	93.9	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.7	-43.8	179.2	176.4	0	0	0	0	111.5	I191 F205 F209 L321 F323 F397 T421 M422 N427 I428 T429	I191-V425 HydrophobicContact CD1-CG1 4.47Å; F205-V425 HydrophobicContact CE1-CG2 4.19Å; F205-V425 HydrophobicContact CZ-CG2 3.74Å; F209-V425 HydrophobicContact CD2-CG1 4.08Å; F209-V425 HydrophobicContact CE2-CG1 3.62Å; L321-V425 HydrophobicContact CD1-CG1 4.02Å; L321-V425 HydrophobicContact CD1-CG2 4.38Å; F323-V425 HydrophobicContact CE1-CG2 4.11Å; F323-V425 HydrophobicContact CZ-CG2 3.56Å; F397-V425 HydrophobicContact CZ-CG2 4.49Å; T421-V425 HydrophobicContact CG2-CG2 4.5Å; T421-V425 PolarHBondContact O-N 3.42Å; M422-V425 PolarHBondContact O-N 3.29Å; V425-N427 VanDerWaalsContact C-N 3.29Å; V425-N427 PolarHBondContact O-N 3.41Å; V425-I428 PolarHBondContact O-N 3.11Å; V425-T429 HydrophobicContact CG1-CG2 4.2Å; V425-T429 WeakPolarHBondContact O-CB 3.45Å; V425-T429 WeakPolarHBondContact O-CG2 3.42Å; V425-T429 PolarHBondContact O-N 3.46Å; V425-T429 PolarHBondContact O-OG1 3.34Å
426	K	96.3	Very high	92.7	Very high	29 Å²	29	34.4 Å²	34.4	13%	0.126	17%	0.169	C	C	.	.	H	α-helix	trans	-55.8	-44	173.2	-77.7	179.6	-177.6	-175.8	0	111.3	D220 M226 M422 L423 A424 T429 M430	D220-K426 WeakPolarHBondContact OD2-CE 3.4Å; D220-K426 IonicContact OD2-NZ 3.66Å; D220-K426 PolarHBondContact OD2-NZ 3.18Å; M226-K426 HydrophobicContact CE-CG 3.71Å; M226-K426 HydrophobicContact SD-CG 4.26Å; M422-K426 WeakPolarHBondContact O-CB 3.48Å; M422-K426 VanDerWaalsContact O-CG 3.29Å; M422-K426 WeakPolarHBondContact O-CG 3.43Å; M422-K426 PolarHBondContact O-N 3.06Å; L423-K426 HydrophobicContact CD2-CD 4.31Å; A424-K426 PolarHBondContact O-N 3.27Å; K426-T429 WeakPolarHBondContact CA-OG1 3.42Å; K426-T429 PolarHBondContact O-OG1 2.96Å; K426-T429 VanDerWaalsContact O-OG1 3.07Å; K426-M430 WeakPolarHBondContact O-CB 3.41Å; K426-M430 WeakPolarHBondContact O-CG 3.44Å; K426-M430 PolarHBondContact O-N 2.88Å
427	N	95.6	Very high	90.6	Very high	62 Å²	62	41.8 Å²	41.8	33%	0.332	22%	0.217	S	C	.	.	H	α-helix	trans	-65.4	-48.4	178.8	-90.5	-86.8	0	0	0	113	A354 A357 L423 A424 V425 T429 M430 H431	A354-N427 HydrophobicContact CB-CB 4.48Å; A357-N427 WeakPolarHBondContact CB-ND2 3.31Å; L423-N427 WeakPolarHBondContact O-CB 3.44Å; L423-N427 PolarHBondContact O-N 2.9Å; L423-N427 PolarHBondContact O-ND2 3.04Å; A424-N427 PolarHBondContact O-N 3.05Å; A424-N427 VanDerWaalsContact O-N 3.14Å; V425-N427 VanDerWaalsContact C-N 3.29Å; V425-N427 PolarHBondContact O-N 3.41Å; N427-T429 PolarHBondContact O-N 2.77Å; N427-M430 PolarHBondContact O-N 3.14Å; N427-H431 WeakPolarHBondContact O-CB 3.16Å; N427-H431 PolarHBondContact O-N 2.95Å
428	I	95.9	Very high	90.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-57.8	-51.6	177.8	-66.6	172.2	0	0	0	109.9	L321 L330 A354 F395 F397 A424 V425 M430 H431 L432	L321-I428 HydrophobicContact CD2-CD1 4.35Å; L321-I428 HydrophobicContact CD2-CG2 4.12Å; L330-I428 HydrophobicContact CD2-CD1 4.33Å; A354-I428 HydrophobicContact CB-CD1 4.05Å; A354-I428 HydrophobicContact CB-CG1 3.71Å; F395-I428 HydrophobicContact CD2-CD1 4.05Å; F395-I428 HydrophobicContact CD2-CG2 4.04Å; F395-I428 HydrophobicContact CE2-CD1 4.31Å; F395-I428 HydrophobicContact CE2-CG1 4.49Å; F395-I428 HydrophobicContact CE2-CG2 3.85Å; F395-I428 HydrophobicContact CG-CD1 4.32Å; F397-I428 HydrophobicContact CE2-CD1 3.92Å; F397-I428 HydrophobicContact CZ-CD1 3.66Å; A424-I428 WeakPolarHBondContact O-CG1 3.47Å; A424-I428 PolarHBondContact O-N 3.49Å; V425-I428 PolarHBondContact O-N 3.11Å; I428-M430 PolarHBondContact O-N 2.79Å; I428-H431 WeakPolarHBondContact O-CA 3.28Å; I428-H431 WeakPolarHBondContact O-CB 3.24Å; I428-H431 PolarHBondContact O-N 3.15Å; I428-H431 VanDerWaalsContact O-N 3.08Å; I428-L432 WeakPolarHBondContact O-CG 3.49Å; I428-L432 PolarHBondContact O-N 2.76Å; I428-L432 VanDerWaalsContact O-N 3.14Å
429	T	94.1	Very high	89.8	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-67.4	-35.7	-176.2	52.8	0	0	0	0	113.7	V189 M226 F232 V425 K426 N427 H431 L432	V189-T429 HydrophobicContact CG1-CG2 4.31Å; V189-T429 HydrophobicContact CG2-CG2 4.08Å; M226-T429 PolarHBondContact SD-OG1 3.06Å; F232-T429 HydrophobicContact CE1-CG2 3.75Å; F232-T429 HydrophobicContact CZ-CG2 4.15Å; V425-T429 HydrophobicContact CG1-CG2 4.2Å; V425-T429 WeakPolarHBondContact O-CB 3.45Å; V425-T429 WeakPolarHBondContact O-CG2 3.42Å; V425-T429 PolarHBondContact O-N 3.46Å; V425-T429 PolarHBondContact O-OG1 3.34Å; K426-T429 WeakPolarHBondContact CA-OG1 3.42Å; K426-T429 PolarHBondContact O-OG1 2.96Å; K426-T429 VanDerWaalsContact O-OG1 3.07Å; N427-T429 PolarHBondContact O-N 2.77Å; T429-H431 VanDerWaalsContact C-N 3.3Å; T429-L432 HydrophobicContact CG2-CD1 4.45Å; T429-L432 WeakPolarHBondContact O-CB 3.28Å; T429-L432 PolarHBondContact O-N 2.91Å
430	M	91.4	Very high	89.3	Confident	44 Å²	44	46.4 Å²	46.4	22%	0.217	24%	0.239	C	C	.	.	H	α-helix	trans	-68	-31	171.4	-73.9	-66.2	-63.7	0	0	112.2	K225 M226 K426 N427 I428 L432 L433	K225-M430 HydrophobicContact CD-CE 4Å; K225-M430 HydrophobicContact CD-SD 4.45Å; K225-M430 HydrophobicContact CG-SD 4.46Å; M226-M430 HydrophobicContact CG-CG 4.32Å; M226-M430 HydrophobicContact CG-SD 3.96Å; K426-M430 WeakPolarHBondContact O-CB 3.41Å; K426-M430 WeakPolarHBondContact O-CG 3.44Å; K426-M430 PolarHBondContact O-N 2.88Å; N427-M430 PolarHBondContact O-N 3.14Å; I428-M430 PolarHBondContact O-N 2.79Å; M430-L432 VanDerWaalsContact C-N 3.33Å; M430-L433 PolarHBondContact O-N 2.86Å; M430-L433 HydrophobicContact SD-CD1 4.04Å
431	H	89.8	Confident	88.8	Confident	24 Å²	24	49.2 Å²	49.2	11%	0.111	25%	0.253	C	S	.	.	H	α-helix	trans	-63	-39	171.6	-166.4	104.9	0	0	0	111.4	A350 Y393 N427 I428 T429 L433 K434	A350-H431 HydrophobicContact CB-CB 4.39Å; Y393-H431 AromaticContact CE1-CD2 3.87Å; N427-H431 WeakPolarHBondContact O-CB 3.16Å; N427-H431 PolarHBondContact O-N 2.95Å; I428-H431 WeakPolarHBondContact O-CA 3.28Å; I428-H431 WeakPolarHBondContact O-CB 3.24Å; I428-H431 PolarHBondContact O-N 3.15Å; I428-H431 VanDerWaalsContact O-N 3.08Å; T429-H431 VanDerWaalsContact C-N 3.3Å; H431-L433 PolarHBondContact O-N 2.82Å; H431-L433 VanDerWaalsContact O-N 3.13Å; H431-K434 WeakPolarHBondContact O-CB 3.44Å; H431-K434 PolarHBondContact O-N 3.12Å
432	L	87.9	Confident	88.2	Confident	4 Å²	4	52.3 Å²	52.3	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-60.5	-23.9	177	-53.6	175.1	0	0	0	114.3	R187 V189 A319 Y393 I428 T429 M430 K434	R187-L432 PolarHBondContact NH1-O 3.43Å; V189-L432 HydrophobicContact CG2-CD1 3.65Å; A319-L432 HydrophobicContact CB-CD1 3.4Å; A319-L432 HydrophobicContact CB-CD2 4Å; A319-L432 HydrophobicContact CB-CG 4.31Å; Y393-L432 HydrophobicContact CD1-CD2 4Å; Y393-L432 HydrophobicContact CD2-CD2 3.07Å; Y393-L432 HydrophobicContact CE1-CD2 4.36Å; Y393-L432 HydrophobicContact CE2-CD2 3.53Å; Y393-L432 HydrophobicContact CG-CD2 3.34Å; I428-L432 WeakPolarHBondContact O-CG 3.49Å; I428-L432 PolarHBondContact O-N 2.76Å; I428-L432 VanDerWaalsContact O-N 3.14Å; T429-L432 HydrophobicContact CG2-CD1 4.45Å; T429-L432 WeakPolarHBondContact O-CB 3.28Å; T429-L432 PolarHBondContact O-N 2.91Å; M430-L432 VanDerWaalsContact C-N 3.33Å; L432-K434 VanDerWaalsContact C-N 3.33Å
433	L	85.4	Confident	87.5	Confident	48 Å²	48	55.4 Å²	55.4	25%	0.251	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-14.4	178.3	-63.1	-179.3	0	0	0	112.3	K225 H229 L230 M430 H431	K225-L433 HydrophobicContact CG-CD1 4.13Å; H229-L433 HydrophobicContact CB-CD1 4.33Å; H229-L433 HydrophobicContact CB-CD2 3.74Å; L230-L433 HydrophobicContact CD1-CD2 4.35Å; L230-L433 HydrophobicContact CD1-CG 4.48Å; L230-L433 HydrophobicContact CD2-CD2 3.85Å; L230-L433 HydrophobicContact CG-CD2 4.01Å; M430-L433 PolarHBondContact O-N 2.86Å; M430-L433 HydrophobicContact SD-CD1 4.04Å; H431-L433 PolarHBondContact O-N 2.82Å; H431-L433 VanDerWaalsContact O-N 3.13Å
434	K	83.7	Confident	86.8	Confident	143 Å²	143	55.3 Å²	55.3	62%	0.622	29%	0.285	S	S	*	.	S	Bend	trans	-89.3	149.7	171.6	-59.3	-179.8	-178.5	-177.6	0	108.6	H431 L432 C436	H431-K434 WeakPolarHBondContact O-CB 3.44Å; H431-K434 PolarHBondContact O-N 3.12Å; L432-K434 VanDerWaalsContact C-N 3.33Å; K434-C436 PolarHBondContact O-N 3.29Å
435	K	71.1	Confident	85.9	Confident	201 Å²	201	59.5 Å²	59.5	87%	0.874	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-68.6	129.8	164.9	-74.9	-174.7	178	-179.4	0	106.7
436	C	72.1	Confident	84.9	Confident	37 Å²	37	64.5 Å²	64.5	25%	0.25	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-69.2	128	163.2	-170.7	0	0	0	0	106.8	C346 K434	C346-C436 VanDerWaalsContact CA-SG 3.51Å; C346-C436 HydrophobicContact CB-CB 3.85Å; C346-C436 WeakPolarHBondContact CB-SG 3.5Å; C346-C436 WeakPolarHBondContact SG-CB 3.49Å; C346-C436 CovalentContact SG-SG 1.99Å; C346-C436 PolarHBondContact SG-SG 2.92Å; K434-C436 PolarHBondContact O-N 3.29Å
437	P	55.6	Low	83.9	Confident	182 Å²	182	67.7 Å²	67.7	100%	1.182	35%	0.351	S	S	*	.			trans	-57.4	0	178.1	23.1	-33.1	0	0	0	112.6

Retrieved 437 of 437 residues in 206.3 ms (Link to these results)

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