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High-affinity heme uptake system protein IsdE

Involved in heme (porphyrin) scavenging. Binds Fe(2+) and Fe(3+) heme but the largest fraction is Fe(2+) heme. Functions as a high-affinity heme binding protein and probably has a role in relaying heme-iron from cell wall-anchored isd proteins receptors to the probable permease IsdF (By similarity).

AlphaFold DB (Q2FZE6), UniProt , Accession Q99UX1, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene isdE, Length 292 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	44.4	Very low	44.6	Very low	232 Å²	232	163.2 Å²	163.2	100%	1.143	80%	0.798	S	S	*	*				0	119.4	0	-137	164.9	70	0	0	107.6
2	R	39.9	Very low	44.6	Very low	218 Å²	218	161.4 Å²	161.4	82%	0.823	79%	0.792	S	S	*	*			trans	56.8	96.7	156.6	-59.4	-167.4	163.7	168	-5.2	118.2
3	I	44	Very low	44.7	Very low	136 Å²	136	157 Å²	157	70%	0.697	79%	0.787	S	S	*	*				77	142.8	79.9	-57.8	158.3	0	0	0	111.3
4	I	48.1	Very low	44.8	Very low	150 Å²	150	154.6 Å²	154.6	77%	0.769	78%	0.784	S	S	*	*			trans	103.4	127.8	151.5	-51.4	-177	0	0	0	112.8
5	K	45.6	Very low	45.7	Very low	154 Å²	154	152.1 Å²	152.1	67%	0.67	78%	0.779	S	S	*	*			cis	157.4	129.4	-16	-106.4	-179.2	175.3	-172.1	0	103.9
6	Y	50.4	Low	46	Very low	195 Å²	195	151.4 Å²	151.4	77%	0.765	78%	0.776	S	S	*	*			trans	65.7	137.5	142.5	-62.5	-60.3	0	0	0	123.4
7	L	43.6	Very low	46.7	Very low	147 Å²	147	151.4 Å²	151.4	77%	0.77	78%	0.776	S	S	*	*				103.7	93.9	127.5	-120.7	63.3	0	0	0	118.3
8	T	42	Very low	47	Very low	118 Å²	118	150.1 Å²	150.1	72%	0.724	78%	0.777	S	S	*	*				31.9	118.7	124.2	3.5	0	0	0	0	118.3
9	I	46.2	Very low	47.1	Very low	164 Å²	164	148.2 Å²	148.2	84%	0.841	78%	0.778	S	S	*	*			trans	-155.1	134	131.1	-93.6	144.9	0	0	0	108.4	V11	I9-V11 HydrophobicContact CG2-CG2 4.34Å
10	L	39.6	Very low	47.3	Very low	157 Å²	157	147.3 Å²	147.3	82%	0.822	78%	0.783	S	S	*	*			trans	-82.7	120.5	-178.2	-176.2	119.6	0	0	0	109.6
11	V	47	Very low	47.5	Very low	124 Å²	124	149 Å²	149	75%	0.752	79%	0.786	S	S	*	*			trans	-139.9	122.6	161.2	-179.6	0	0	0	0	109.4	I9	I9-V11 HydrophobicContact CG2-CG2 4.34Å
12	I	44.3	Very low	47.4	Very low	142 Å²	142	143.6 Å²	143.6	73%	0.728	77%	0.772	S	S	*	*			trans	-64.6	128.6	178	-68.9	161.3	0	0	0	109.5
13	S	46.6	Very low	47.8	Very low	104 Å²	104	138 Å²	138	73%	0.727	77%	0.766	S	S	*	*			trans	-144.7	115	163.4	-70.3	0	0	0	0	108.8	V15	S13-V15 PolarHBondContact O-N 3.49Å
14	V	45.9	Very low	47.6	Very low	123 Å²	123	137.1 Å²	137.1	75%	0.745	77%	0.772	S	S	*	*			trans	-62.2	121.9	177.9	171.5	0	0	0	0	109.2	I16	V14-I16 HydrophobicContact CG1-CG1 4.25Å
15	V	57.5	Low	47.2	Very low	117 Å²	117	135 Å²	135	71%	0.709	77%	0.77	S	S	*	*			trans	-125.8	113.6	163.5	178.8	0	0	0	0	108	S13 L17	S13-V15 PolarHBondContact O-N 3.49Å; V15-L17 HydrophobicContact CG1-CD1 4.45Å; V15-L17 HydrophobicContact CG1-CG 4.27Å; V15-L17 PolarHBondContact O-N 2.97Å
16	I	51.3	Low	46.8	Very low	142 Å²	142	136.6 Å²	136.6	73%	0.728	78%	0.78	S	S	*	*			trans	-72.2	113	174.6	-63	163.5	0	0	0	107	V14	V14-I16 HydrophobicContact CG1-CG1 4.25Å
17	L	57	Low	46	Very low	150 Å²	150	136.3 Å²	136.3	79%	0.785	79%	0.786	S	S	*	*			trans	-123.1	98.1	166.5	-79.9	166.6	0	0	0	109	V15 S19	V15-L17 HydrophobicContact CG1-CD1 4.45Å; V15-L17 HydrophobicContact CG1-CG 4.27Å; V15-L17 PolarHBondContact O-N 2.97Å; L17-S19 PolarHBondContact O-N 3.41Å
18	T	52.3	Low	45.4	Very low	128 Å²	128	134.4 Å²	134.4	79%	0.785	79%	0.785	S	S	*	*			trans	-51.9	109	162.2	44.6	0	0	0	0	110
19	S	49.4	Very low	45	Very low	115 Å²	115	134.9 Å²	134.9	80%	0.804	79%	0.788	S	S	*	*			trans	-99.6	108.8	162.6	44.4	0	0	0	0	107.9	L17 Q21	L17-S19 PolarHBondContact O-N 3.41Å; S19-Q21 PolarHBondContact O-N 3.26Å
20	C	50.3	Low	44.6	Very low	129 Å²	129	136.9 Å²	136.9	87%	0.872	79%	0.791	S	S	*	*			trans	-59	122.3	176.3	-85.9	0	0	0	0	110.6	S22	C20-S22 PolarHBondContact O-N 3.45Å
21	Q	53.2	Low	44.6	Very low	183 Å²	183	134.1 Å²	134.1	86%	0.855	78%	0.784	S	S	*	*			trans	-62.8	118.5	162.6	-121.7	158.3	1.6	0	0	108.7	S19 S23	S19-Q21 PolarHBondContact O-N 3.26Å; Q21-S23 PolarHBondContact O-N 3.26Å
22	S	42	Very low	45.3	Very low	119 Å²	119	130.8 Å²	130.8	83%	0.832	78%	0.775	S	S	*	*			trans	-71.1	83.8	166.5	57.5	0	0	0	0	108.9	C20 S24	C20-S22 PolarHBondContact O-N 3.45Å; S22-S24 PolarHBondContact O-N 3.07Å
23	S	46.9	Very low	47.4	Very low	102 Å²	102	131.9 Å²	131.9	71%	0.713	78%	0.777	S	S	*	*			trans	-71.9	110.2	162.1	27.4	0	0	0	0	107.9	Q21 S25	Q21-S23 PolarHBondContact O-N 3.26Å; S23-S25 PolarHBondContact O-N 3.49Å
24	S	40.8	Very low	49.7	Very low	117 Å²	117	130.2 Å²	130.2	82%	0.818	76%	0.757	S	S	*	*			trans	-62.2	88.5	164.1	55.1	0	0	0	0	108.3	S22 Q26	S22-S24 PolarHBondContact O-N 3.07Å; S24-Q26 PolarHBondContact O-N 3.46Å; S24-Q26 VanDerWaalsContact O-N 3.08Å
25	S	39	Very low	52.2	Low	105 Å²	105	128.6 Å²	128.6	73%	0.734	74%	0.737	S	S	*	*			trans	-64.4	106.5	164.2	48.4	0	0	0	0	107.2	S23 E27	S23-S25 PolarHBondContact O-N 3.49Å; S25-E27 PolarHBondContact O-N 3.25Å; S25-E27 VanDerWaalsContact O-N 3.09Å
26	Q	38.7	Very low	54.2	Low	188 Å²	188	123.1 Å²	123.1	88%	0.879	70%	0.704	S	S	*	*			trans	-47.3	117.1	158.5	-77.7	175.1	-48.7	0	0	107.1	S24 S28	S24-Q26 PolarHBondContact O-N 3.46Å; S24-Q26 VanDerWaalsContact O-N 3.08Å; Q26-S28 PolarHBondContact O-N 3.16Å
27	E	32	Very low	56.5	Low	188 Å²	188	116.3 Å²	116.3	88%	0.879	67%	0.669	S	S	*	*			trans	-55.9	95.4	164.8	-83.7	179.4	139	0	0	107.6	S25 T29	S25-E27 PolarHBondContact O-N 3.25Å; S25-E27 VanDerWaalsContact O-N 3.09Å; E27-T29 PolarHBondContact O-N 3.19Å
28	S	32.2	Very low	58.4	Low	107 Å²	107	109.2 Å²	109.2	75%	0.748	63%	0.632	S	S	*	*			trans	-61.1	97.1	156.5	56	0	0	0	0	105.7	Q26 K30	Q26-S28 PolarHBondContact O-N 3.16Å; S28-K30 PolarHBondContact O-N 3.1Å
29	T	33.8	Very low	60.7	Low	129 Å²	129	103.1 Å²	103.1	79%	0.791	59%	0.594	S	S	*	*			trans	-40.2	114.6	163.4	20.1	0	0	0	0	107.6	E27 S31	E27-T29 PolarHBondContact O-N 3.19Å; T29-S31 PolarHBondContact O-N 3.46Å
30	K	35.9	Very low	63	Low	206 Å²	206	98.1 Å²	98.1	90%	0.896	56%	0.559	S	S	*	*			trans	-46.5	108.6	168.9	-78.2	-179.3	176.2	178	0	106.5	S28 G32	S28-K30 PolarHBondContact O-N 3.1Å; K30-G32 PolarHBondContact O-N 3.25Å
31	S	41.5	Very low	65.3	Low	99 Å²	99	92.8 Å²	92.8	69%	0.692	52%	0.523	S	S	*	.			trans	-61.4	92.2	173.6	170.1	0	0	0	0	106.6	T29 E33	T29-S31 PolarHBondContact O-N 3.46Å; S31-E33 PolarHBondContact O-N 3.45Å
32	G	60.9	Low	67.5	Low	53 Å²	53	84.4 Å²	84.4	55%	0.546	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-53.9	132.9	174.9	0	0	0	0	0	108.7	K30 F34	K30-G32 PolarHBondContact O-N 3.25Å; G32-F34 PolarHBondContact O-N 2.95Å
33	E	87.2	Confident	70.2	Confident	166 Å²	166	78.7 Å²	78.7	78%	0.776	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-55.4	121.4	-178.3	-168.3	178.5	-169.2	0	0	110.1	S31 R35	S31-E33 PolarHBondContact O-N 3.45Å; E33-R35 PolarHBondContact O-N 3.48Å
34	F	96.7	Very high	72.7	Confident	68 Å²	68	73.9 Å²	73.9	30%	0.298	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-68.9	128.8	-179.2	-62	-60.8	0	0	0	110.5	G32 I36 H92 Q135 F136	G32-F34 PolarHBondContact O-N 2.95Å; F34-I36 HydrophobicContact CB-CD1 4.12Å; F34-I36 HydrophobicContact CB-CG1 3.96Å; F34-H92 AromaticContact CD1-CE1 3.81Å; F34-Q135 WeakPolarHBondContact CZ-O 3.3Å; F34-F136 HydrophobicContact CB-CD1 4.32Å; F34-F136 AromaticContact CD1-CD1 3.96Å; F34-F136 HydrophobicContact CD1-CD1 3.96Å; F34-F136 HydrophobicContact CD1-CE1 4.12Å; F34-F136 HydrophobicContact CD2-CB 4.49Å; F34-F136 AromaticContact CD2-CD1 3.86Å; F34-F136 HydrophobicContact CD2-CD1 3.86Å; F34-F136 HydrophobicContact CE1-CD1 4.19Å; F34-F136 HydrophobicContact CE1-CE1 4.48Å; F34-F136 HydrophobicContact CE2-CB 4.5Å; F34-F136 HydrophobicContact CE2-CD1 4.09Å; F34-F136 AromaticContact CG-CD1 3.79Å; F34-F136 HydrophobicContact CG-CD1 3.79Å; F34-F136 HydrophobicContact CG-CE1 4.25Å; F34-F136 HydrophobicContact CZ-CD1 4.24Å
35	R	98.2	Very high	75.4	Confident	90 Å²	90	70.2 Å²	70.2	34%	0.34	38%	0.381	S	S	.	.			trans	-115.5	90.9	174.6	-61.3	-180	63.8	76.1	3.4	108	E33 V55 L88 K89 P90 T91 H92	E33-R35 PolarHBondContact O-N 3.48Å; R35-V55 HydrophobicContact CB-CG1 3.99Å; R35-V55 HydrophobicContact CB-CG2 4.06Å; R35-V55 HydrophobicContact CG-CG1 4.27Å; R35-L88 VanDerWaalsContact CZ-O 3.3Å; R35-L88 PolarHBondContact NE-O 2.72Å; R35-L88 PolarHBondContact NH2-O 3.49Å; R35-K89 VanDerWaalsContact CD-O 3.23Å; R35-K89 WeakPolarHBondContact CD-O 3.11Å; R35-K89 PolarHBondContact NE-O 2.71Å; R35-P90 CarbonylContact O-C 3.52Å; R35-P90 VanDerWaalsContact O-CA 3.32Å; R35-P90 WeakPolarHBondContact O-CA 3.43Å; R35-P90 WeakPolarHBondContact O-CB 3.36Å; R35-T91 HydrophobicContact CB-CG2 4.23Å; R35-T91 HydrophobicContact CG-CG2 4.47Å; R35-T91 PolarHBondContact N-OG1 3.19Å; R35-T91 PolarHBondContact O-N 3.35Å; R35-H92 PolarHBondContact O-N 3.36Å
36	I	98.7	Very high	78.3	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.005	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	134.1	-167.7	-52	171.1	0	0	0	110	F34 L47 L52 I54 V55 H92 L94 F136	F34-I36 HydrophobicContact CB-CD1 4.12Å; F34-I36 HydrophobicContact CB-CG1 3.96Å; I36-L47 HydrophobicContact CG2-CD1 3.7Å; I36-L52 HydrophobicContact CD1-CD1 4.45Å; I36-L52 HydrophobicContact CD1-CD2 4.39Å; I36-I54 HydrophobicContact CB-CG2 4.45Å; I36-I54 CarbonylContact O-C 3.48Å; I36-I54 WeakPolarHBondContact O-CA 3.49Å; I36-I54 WeakPolarHBondContact O-CB 3.49Å; I36-V55 PolarHBondContact O-N 3.4Å; I36-H92 WeakPolarHBondContact CA-O 3.5Å; I36-L94 HydrophobicContact CG2-CD1 3.63Å; I36-L94 HydrophobicContact CG2-CG 3.97Å; I36-F136 HydrophobicContact CD1-CD1 3.64Å; I36-F136 HydrophobicContact CD1-CD2 4.03Å; I36-F136 HydrophobicContact CD1-CE1 3.67Å; I36-F136 HydrophobicContact CD1-CE2 4.04Å; I36-F136 HydrophobicContact CD1-CG 3.83Å; I36-F136 HydrophobicContact CD1-CZ 3.87Å; I36-F136 HydrophobicContact CG1-CD1 4.35Å; I36-F136 HydrophobicContact CG1-CE1 3.94Å; I36-F136 HydrophobicContact CG1-CZ 4.14Å
37	V	98.8	Very high	81.1	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	99.5	170.9	179.1	0	0	0	0	108.7	V55 I74 L88 P90 H92 V93 L94	V37-V55 HydrophobicContact CG2-CG2 3.61Å; V37-I74 HydrophobicContact CG1-CG1 3.73Å; V37-I74 HydrophobicContact CG1-CG2 4.48Å; V37-L88 HydrophobicContact CG2-CD1 4.27Å; V37-P90 HydrophobicContact CG2-CB 3.87Å; V37-H92 PolarHBondContact N-O 3.11Å; V37-V93 HydrophobicContact CB-CG2 4.26Å; V37-V93 WeakPolarHBondContact O-CA 3.4Å; V37-L94 PolarHBondContact O-N 3Å
38	P	98.8	Very high	84.3	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	126.5	164.1	29.5	-36.2	0	0	0	110.1	L43 T44 L47 I54 G56 P58	P38-L43 HydrophobicContact CB-CB 3.78Å; P38-T44 WeakPolarHBondContact CB-OG1 3.26Å; P38-T44 HydrophobicContact CG-CG2 4.37Å; P38-T44 VanDerWaalsContact CG-OG1 3.32Å; P38-T44 WeakPolarHBondContact CG-OG1 3.4Å; P38-L47 HydrophobicContact CB-CD1 3.79Å; P38-L47 HydrophobicContact CG-CD1 3.78Å; P38-I54 HydrophobicContact CG-CB 4.46Å; P38-I54 HydrophobicContact CG-CD1 3.81Å; P38-I54 HydrophobicContact CG-CG2 4.13Å; P38-G56 WeakPolarHBondContact CD-O 2.9Å; P38-P58 WeakPolarHBondContact O-CD 3.46Å
39	T	98.8	Very high	87.5	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.262	C	S	.	.			trans	-90.5	-4	176.6	74.4	0	0	0	0	112.7	P77 P80 V93 L94	T39-P77 WeakPolarHBondContact O-CA 3.3Å; T39-P77 VanDerWaalsContact O-CB 3.32Å; T39-P77 WeakPolarHBondContact O-CB 3.5Å; T39-P80 HydrophobicContact CG2-CG 4.06Å; T39-V93 HydrophobicContact CG2-CG1 3.57Å; T39-L94 WeakPolarHBondContact CG2-O 3.42Å; T39-L94 PolarHBondContact N-O 3.3Å; T39-L94 PolarHBondContact OG1-O 3.33Å
40	T	98.7	Very high	90.6	Very high	11 Å²	11	43.8 Å²	43.8	7%	0.067	23%	0.225	C	C	.	.	S	Bend	trans	-127.2	154.4	179.8	77.8	0	0	0	0	112	A42 L43 T44 P77 V96	T40-A42 VanDerWaalsContact C-N 3.34Å; T40-A42 PolarHBondContact O-N 3.02Å; T40-L43 HydrophobicContact CG2-CD1 4.34Å; T40-L43 PolarHBondContact O-N 3.06Å; T40-L43 WeakPolarHBondContact OG1-CB 3.22Å; T40-L43 WeakPolarHBondContact OG1-CG 3.3Å; T40-L43 PolarHBondContact OG1-N 3.17Å; T40-L43 VanDerWaalsContact OG1-N 3.16Å; T40-T44 PolarHBondContact O-N 2.88Å; T40-T44 PolarHBondContact O-OG1 3.36Å; T40-P77 HydrophobicContact CG2-CB 4.36Å; T40-V96 HydrophobicContact CG2-CG1 4.15Å; T40-V96 HydrophobicContact CG2-CG2 4.14Å
41	V	98.7	Very high	93.6	Very high	17 Å²	17	37.4 Å²	37.4	10%	0.103	20%	0.201	C	C	.	.	H	α-helix	trans	-61.4	-43.3	177.4	174.4	0	0	0	0	110.8	L43 T44 M45 P58 S60 K62 L64	V41-L43 PolarHBondContact O-N 3.12Å; V41-T44 WeakPolarHBondContact O-CB 3.1Å; V41-T44 PolarHBondContact O-N 2.86Å; V41-T44 VanDerWaalsContact O-N 3.14Å; V41-M45 HydrophobicContact CG1-CG 4.44Å; V41-M45 HydrophobicContact CG1-SD 3.89Å; V41-M45 WeakPolarHBondContact O-CG 3.16Å; V41-M45 PolarHBondContact O-N 3.15Å; V41-P58 HydrophobicContact CG2-CG 4.19Å; V41-S60 WeakPolarHBondContact CG2-OG 3.32Å; V41-K62 HydrophobicContact CG1-CB 4.38Å; V41-K62 HydrophobicContact CG1-CD 4.31Å; V41-K62 HydrophobicContact CG2-CD 4.39Å; V41-L64 HydrophobicContact CB-CD2 4.36Å; V41-L64 HydrophobicContact CG1-CD2 3.9Å; V41-L64 HydrophobicContact CG2-CD2 4.17Å
42	A	98.7	Very high	96.3	Very high	6 Å²	6	32.9 Å²	32.9	5%	0.05	17%	0.169	C	C	.	.	H	α-helix	trans	-61.4	-42.6	178.6	0	0	0	0	0	112.5	T40 T44 M45 T46 F119 A272 N273	T40-A42 VanDerWaalsContact C-N 3.34Å; T40-A42 PolarHBondContact O-N 3.02Å; A42-T44 VanDerWaalsContact C-N 3.35Å; A42-M45 PolarHBondContact O-N 3.32Å; A42-T46 WeakPolarHBondContact O-CB 3.16Å; A42-T46 PolarHBondContact O-N 3.11Å; A42-T46 PolarHBondContact O-OG1 3.01Å; A42-F119 HydrophobicContact CB-CD1 4.15Å; A42-F119 HydrophobicContact CB-CE1 4.16Å; A42-A272 WeakPolarHBondContact CB-O 3.37Å; A42-N273 WeakPolarHBondContact CA-OD1 3.26Å; A42-N273 HydrophobicContact CB-CB 4.1Å
43	L	98.8	Very high	98	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.4	-40.1	174	-76.4	167.6	0	0	0	111.5	P38 T40 V41 M45 T46 L47 L94 V96 Y117 F119 L132	P38-L43 HydrophobicContact CB-CB 3.78Å; T40-L43 HydrophobicContact CG2-CD1 4.34Å; T40-L43 PolarHBondContact O-N 3.06Å; T40-L43 WeakPolarHBondContact OG1-CB 3.22Å; T40-L43 WeakPolarHBondContact OG1-CG 3.3Å; T40-L43 PolarHBondContact OG1-N 3.17Å; T40-L43 VanDerWaalsContact OG1-N 3.16Å; V41-L43 PolarHBondContact O-N 3.12Å; L43-M45 PolarHBondContact O-N 2.95Å; L43-T46 WeakPolarHBondContact O-CB 3.45Å; L43-T46 PolarHBondContact O-N 2.93Å; L43-L47 VanDerWaalsContact O-CG 3.28Å; L43-L47 WeakPolarHBondContact O-CG 3.23Å; L43-L47 PolarHBondContact O-N 3.4Å; L43-L94 HydrophobicContact CD1-CB 3.9Å; L43-L94 WeakPolarHBondContact CD1-O 3.49Å; L43-V96 HydrophobicContact CD1-CG1 3.85Å; L43-V96 HydrophobicContact CG-CG1 4.02Å; L43-Y117 HydrophobicContact CD2-CD2 3.78Å; L43-Y117 HydrophobicContact CD2-CE2 4.47Å; L43-Y117 HydrophobicContact CD2-CG 4.27Å; L43-F119 HydrophobicContact CD2-CE2 3.76Å; L43-F119 HydrophobicContact CD2-CZ 3.9Å; L43-L132 HydrophobicContact CD2-CD1 4.48Å
44	T	98.9	Very high	98.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.7	-47	178.1	-55.6	0	0	0	0	111	P38 T40 V41 A42 T46 L47 D48 I54 P58 L64 Y68	P38-T44 WeakPolarHBondContact CB-OG1 3.26Å; P38-T44 HydrophobicContact CG-CG2 4.37Å; P38-T44 VanDerWaalsContact CG-OG1 3.32Å; P38-T44 WeakPolarHBondContact CG-OG1 3.4Å; T40-T44 PolarHBondContact O-N 2.88Å; T40-T44 PolarHBondContact O-OG1 3.36Å; V41-T44 WeakPolarHBondContact O-CB 3.1Å; V41-T44 PolarHBondContact O-N 2.86Å; V41-T44 VanDerWaalsContact O-N 3.14Å; A42-T44 VanDerWaalsContact C-N 3.35Å; T44-T46 VanDerWaalsContact C-N 3.33Å; T44-T46 PolarHBondContact O-N 2.93Å; T44-L47 PolarHBondContact O-N 2.63Å; T44-D48 PolarHBondContact O-N 3.07Å; T44-D48 VanDerWaalsContact O-N 3.07Å; T44-I54 HydrophobicContact CG2-CD1 4.08Å; T44-P58 WeakPolarHBondContact OG1-CD 3.4Å; T44-L64 HydrophobicContact CG2-CD2 4.04Å; T44-Y68 HydrophobicContact CG2-CD2 3.57Å; T44-Y68 HydrophobicContact CG2-CE2 3.8Å; T44-Y68 WeakPolarHBondContact O-CE2 3.03Å
45	M	98.8	Very high	98.7	Very high	40 Å²	40	25 Å²	25	20%	0.197	13%	0.128	C	C	.	.	H	α-helix	trans	-66.8	-33.8	176.4	-67.6	174.5	62.8	0	0	112.4	V41 A42 L43 D48 K49 P65 N273 V274	V41-M45 HydrophobicContact CG1-CG 4.44Å; V41-M45 HydrophobicContact CG1-SD 3.89Å; V41-M45 WeakPolarHBondContact O-CG 3.16Å; V41-M45 PolarHBondContact O-N 3.15Å; A42-M45 PolarHBondContact O-N 3.32Å; L43-M45 PolarHBondContact O-N 2.95Å; M45-D48 PolarHBondContact O-N 3.26Å; M45-K49 WeakPolarHBondContact O-CG 3.29Å; M45-K49 PolarHBondContact O-N 2.76Å; M45-K49 VanDerWaalsContact O-N 3.15Å; M45-P65 HydrophobicContact CG-CG 4.21Å; M45-N273 PolarHBondContact SD-ND2 2.63Å; M45-V274 HydrophobicContact CB-CG2 3.8Å; M45-V274 HydrophobicContact CE-CG2 4.1Å
46	T	98.9	Very high	98.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.6	-45.7	174	-56.7	0	0	0	0	111.4	A42 L43 T44 D48 K49 L50 F119 I129 L132 V274	A42-T46 WeakPolarHBondContact O-CB 3.16Å; A42-T46 PolarHBondContact O-N 3.11Å; A42-T46 PolarHBondContact O-OG1 3.01Å; L43-T46 WeakPolarHBondContact O-CB 3.45Å; L43-T46 PolarHBondContact O-N 2.93Å; T44-T46 VanDerWaalsContact C-N 3.33Å; T44-T46 PolarHBondContact O-N 2.93Å; T46-D48 VanDerWaalsContact C-N 3.28Å; T46-D48 PolarHBondContact O-N 3.2Å; T46-K49 PolarHBondContact O-N 3.33Å; T46-L50 HydrophobicContact CG2-CD1 4.3Å; T46-L50 WeakPolarHBondContact O-CG 3.35Å; T46-L50 PolarHBondContact O-N 2.88Å; T46-F119 HydrophobicContact CG2-CZ 4.44Å; T46-I129 HydrophobicContact CG2-CG1 3.85Å; T46-L132 HydrophobicContact CG2-CD1 3.71Å; T46-V274 HydrophobicContact CG2-CG1 4.41Å
47	L	98.8	Very high	98.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65.2	-32	178.1	-65.9	176.9	0	0	0	112.3	I36 P38 L43 T44 L50 D51 L52 I54 Y68 L94 L132	I36-L47 HydrophobicContact CG2-CD1 3.7Å; P38-L47 HydrophobicContact CB-CD1 3.79Å; P38-L47 HydrophobicContact CG-CD1 3.78Å; L43-L47 VanDerWaalsContact O-CG 3.28Å; L43-L47 WeakPolarHBondContact O-CG 3.23Å; L43-L47 PolarHBondContact O-N 3.4Å; T44-L47 PolarHBondContact O-N 2.63Å; L47-L50 CarbonylContact O-C 3.5Å; L47-L50 PolarHBondContact O-N 2.85Å; L47-D51 PolarHBondContact O-N 2.79Å; L47-L52 HydrophobicContact CB-CB 4.28Å; L47-L52 HydrophobicContact CD2-CB 4.41Å; L47-L52 HydrophobicContact CD2-CD1 3.54Å; L47-L52 PolarHBondContact O-N 3.37Å; L47-I54 HydrophobicContact CB-CG2 4.29Å; L47-I54 HydrophobicContact CD1-CG2 3.61Å; L47-Y68 PolarHBondContact O-OH 3.13Å; L47-L94 HydrophobicContact CD1-CD1 4.14Å; L47-L94 HydrophobicContact CD2-CD1 4.31Å; L47-L132 HydrophobicContact CD2-CD2 4.29Å
48	D	98.8	Very high	98.7	Very high	45 Å²	45	21.8 Å²	21.8	24%	0.241	12%	0.116	C	C	.	.	H	α-helix	trans	-63	-47.6	172.3	172.7	73.1	0	0	0	111.6	T44 M45 T46 L50 D51 P65 R67 Y68	T44-D48 PolarHBondContact O-N 3.07Å; T44-D48 VanDerWaalsContact O-N 3.07Å; M45-D48 PolarHBondContact O-N 3.26Å; T46-D48 VanDerWaalsContact C-N 3.28Å; T46-D48 PolarHBondContact O-N 3.2Å; D48-L50 PolarHBondContact O-N 2.67Å; D48-D51 PolarHBondContact O-N 3.29Å; D48-P65 HydrophobicContact CB-CB 3.74Å; D48-P65 HydrophobicContact CB-CG 3.52Å; D48-P65 VanDerWaalsContact CG-CB 3.41Å; D48-P65 WeakPolarHBondContact OD1-CB 3.37Å; D48-R67 WeakPolarHBondContact OD1-CD 3.29Å; D48-R67 WeakPolarHBondContact OD1-CG 3.49Å; D48-Y68 VanDerWaalsContact CA-OH 3.31Å; D48-Y68 WeakPolarHBondContact CA-OH 3.42Å; D48-Y68 HydrophobicContact CB-CE2 3.81Å; D48-Y68 PolarHBondContact N-OH 2.71Å; D48-Y68 VanDerWaalsContact N-OH 3.09Å
49	K	98.7	Very high	98.7	Very high	117 Å²	117	24.1 Å²	24.1	51%	0.509	13%	0.13	S	C	.	.	H	α-helix	trans	-63.1	-25.9	175	-67	-61.3	-174	-178.5	0	113.4	M45 T46 D51 L145 V274	M45-K49 WeakPolarHBondContact O-CG 3.29Å; M45-K49 PolarHBondContact O-N 2.76Å; M45-K49 VanDerWaalsContact O-N 3.15Å; T46-K49 PolarHBondContact O-N 3.33Å; K49-D51 VanDerWaalsContact C-N 3.29Å; K49-L145 HydrophobicContact CB-CD2 3.84Å; K49-L145 HydrophobicContact CG-CD1 4.45Å; K49-L145 HydrophobicContact CG-CD2 4.41Å; K49-V274 HydrophobicContact CG-CB 4.14Å; K49-V274 HydrophobicContact CG-CG1 4.21Å; K49-V274 HydrophobicContact CG-CG2 3.95Å
50	L	98.8	Very high	98.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	4.1	173.7	-65.8	-179.2	0	0	0	113.4	T46 L47 D48 L52 I129 L132 R138 Q141 A142	T46-L50 HydrophobicContact CG2-CD1 4.3Å; T46-L50 WeakPolarHBondContact O-CG 3.35Å; T46-L50 PolarHBondContact O-N 2.88Å; L47-L50 CarbonylContact O-C 3.5Å; L47-L50 PolarHBondContact O-N 2.85Å; D48-L50 PolarHBondContact O-N 2.67Å; L50-L52 VanDerWaalsContact C-N 3.34Å; L50-L52 HydrophobicContact CB-CD1 3.85Å; L50-L52 HydrophobicContact CB-CG 4.21Å; L50-L52 HydrophobicContact CD1-CD1 4.28Å; L50-L52 PolarHBondContact O-N 2.86Å; L50-I129 HydrophobicContact CD2-CG2 4.39Å; L50-L132 HydrophobicContact CD1-CB 3.52Å; L50-L132 HydrophobicContact CD1-CD1 4.27Å; L50-R138 HydrophobicContact CB-CB 4.27Å; L50-R138 HydrophobicContact CB-CG 4.45Å; L50-R138 HydrophobicContact CD2-CB 4.47Å; L50-R138 WeakPolarHBondContact O-CD 3.33Å; L50-R138 WeakPolarHBondContact O-CG 3.31Å; L50-R138 PolarHBondContact O-NE 3.39Å; L50-R138 VanDerWaalsContact O-NE 3.12Å; L50-Q141 HydrophobicContact CD2-CB 4Å; L50-A142 VanDerWaalsContact CD2-CA 3.44Å; L50-A142 HydrophobicContact CD2-CB 3.7Å
51	D	98.5	Very high	98.5	Very high	73 Å²	73	31.7 Å²	31.7	39%	0.39	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	48.1	-177.9	-171	32.4	0	0	0	113.4	L47 D48 K49 R67 R138	L47-D51 PolarHBondContact O-N 2.79Å; D48-D51 PolarHBondContact O-N 3.29Å; K49-D51 VanDerWaalsContact C-N 3.29Å; D51-R67 IonicContact OD1-CZ 3.95Å; D51-R67 VanDerWaalsContact OD1-CZ 3.23Å; D51-R67 IonicContact OD1-NH1 2.85Å; D51-R67 PolarHBondContact OD1-NH1 3.44Å; D51-R67 IonicContact OD1-NH2 3.66Å; D51-R67 PolarHBondContact OD1-NH2 3.2Å; D51-R138 PolarHBondContact O-NE 3.06Å; D51-R138 PolarHBondContact O-NH2 3.46Å
52	L	98.4	Very high	98.4	Very high	4 Å²	4	33 Å²	33	2%	0.021	17%	0.168	C	C	.	.			trans	-107.5	132.5	-180	-74.2	164.9	0	0	0	111.9	I36 L47 L50 Y68 F136 R138	I36-L52 HydrophobicContact CD1-CD1 4.45Å; I36-L52 HydrophobicContact CD1-CD2 4.39Å; L47-L52 HydrophobicContact CB-CB 4.28Å; L47-L52 HydrophobicContact CD2-CB 4.41Å; L47-L52 HydrophobicContact CD2-CD1 3.54Å; L47-L52 PolarHBondContact O-N 3.37Å; L50-L52 VanDerWaalsContact C-N 3.34Å; L50-L52 HydrophobicContact CB-CD1 3.85Å; L50-L52 HydrophobicContact CB-CG 4.21Å; L50-L52 HydrophobicContact CD1-CD1 4.28Å; L50-L52 PolarHBondContact O-N 2.86Å; L52-Y68 WeakPolarHBondContact O-CE1 3.08Å; L52-Y68 PolarHBondContact O-OH 2.96Å; L52-F136 HydrophobicContact CD1-CB 3.71Å; L52-F136 HydrophobicContact CD1-CD2 3.86Å; L52-F136 HydrophobicContact CD1-CG 4.08Å; L52-F136 HydrophobicContact CD2-CB 3.65Å; L52-F136 HydrophobicContact CD2-CG 4.46Å; L52-F136 HydrophobicContact CG-CB 4.35Å; L52-R138 HydrophobicContact CD1-CG 4.19Å; L52-R138 HydrophobicContact CD2-CG 3.77Å; L52-R138 HydrophobicContact CG-CG 3.86Å
53	P	98.1	Very high	98.3	Very high	81 Å²	81	39 Å²	39	53%	0.526	21%	0.205	S	C	.	.			trans	-69.7	151.1	164.6	31.4	-33.5	0	0	0	110.5
54	I	98.7	Very high	98.3	Very high	12 Å²	12	40.8 Å²	40.8	6%	0.062	21%	0.214	C	C	.	.			trans	-131.5	156.5	175	67.8	179.1	0	0	0	109	I36 P38 T44 L47 K57 Y68 V71	I36-I54 HydrophobicContact CB-CG2 4.45Å; I36-I54 CarbonylContact O-C 3.48Å; I36-I54 WeakPolarHBondContact O-CA 3.49Å; I36-I54 WeakPolarHBondContact O-CB 3.49Å; P38-I54 HydrophobicContact CG-CB 4.46Å; P38-I54 HydrophobicContact CG-CD1 3.81Å; P38-I54 HydrophobicContact CG-CG2 4.13Å; T44-I54 HydrophobicContact CG2-CD1 4.08Å; L47-I54 HydrophobicContact CB-CG2 4.29Å; L47-I54 HydrophobicContact CD1-CG2 3.61Å; I54-K57 HydrophobicContact CD1-CB 4.1Å; I54-Y68 HydrophobicContact CB-CE1 4.37Å; I54-Y68 HydrophobicContact CD1-CD1 3.63Å; I54-Y68 HydrophobicContact CD1-CD2 3.69Å; I54-Y68 HydrophobicContact CD1-CE1 3.88Å; I54-Y68 HydrophobicContact CD1-CE2 3.91Å; I54-Y68 HydrophobicContact CD1-CG 3.53Å; I54-Y68 HydrophobicContact CG1-CD1 3.48Å; I54-Y68 VanDerWaalsContact CG1-CD1 3.48Å; I54-Y68 HydrophobicContact CG1-CD2 4.45Å; I54-Y68 HydrophobicContact CG1-CE1 3.62Å; I54-Y68 HydrophobicContact CG1-CG 3.94Å; I54-Y68 HydrophobicContact CG2-CE1 4.14Å; I54-V71 HydrophobicContact CD1-CG1 4.47Å; I54-V71 HydrophobicContact CG1-CG1 4.06Å; I54-V71 HydrophobicContact CG1-CG2 4.1Å
55	V	98.7	Very high	98.3	Very high	29 Å²	29	41.8 Å²	41.8	18%	0.176	22%	0.22	C	C	.	.	S	Bend	trans	-108.2	-10.9	-179	-59	0	0	0	0	113.5	R35 I36 V37 P72 L88	R35-V55 HydrophobicContact CB-CG1 3.99Å; R35-V55 HydrophobicContact CB-CG2 4.06Å; R35-V55 HydrophobicContact CG-CG1 4.27Å; I36-V55 PolarHBondContact O-N 3.4Å; V37-V55 HydrophobicContact CG2-CG2 3.61Å; V55-P72 WeakPolarHBondContact O-CG 3.39Å; V55-L88 HydrophobicContact CG2-CB 4.12Å; V55-L88 VanDerWaalsContact O-CD1 3.32Å; V55-L88 WeakPolarHBondContact O-CD1 3.27Å
56	G	98.8	Very high	98.3	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.243	C	C	.	.			trans	-150	153.3	173.8	0	0	0	0	0	110.4	P38 V71 P72	P38-G56 WeakPolarHBondContact CD-O 2.9Å; G56-V71 VanDerWaalsContact N-CG1 3.29Å; G56-P72 WeakPolarHBondContact CA-O 3.23Å
57	K	98.8	Very high	98.2	Very high	22 Å²	22	51.3 Å²	51.3	10%	0.096	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-133.7	156.9	178.6	74.7	-172.5	179	-167	0	111.3	I54 L64 Y68 K69 V71 P72 E73 I74	I54-K57 HydrophobicContact CD1-CB 4.1Å; K57-L64 HydrophobicContact CB-CD1 4.32Å; K57-L64 HydrophobicContact CD-CD1 3.85Å; K57-L64 HydrophobicContact CG-CD1 4.16Å; K57-Y68 WeakPolarHBondContact CD-O 3.43Å; K57-Y68 PolarHBondContact NZ-O 3.27Å; K57-K69 PolarHBondContact NZ-O 3.21Å; K57-V71 HydrophobicContact CB-CG1 4.38Å; K57-V71 HydrophobicContact CD-CB 4.37Å; K57-V71 WeakPolarHBondContact CD-O 3.26Å; K57-V71 WeakPolarHBondContact CE-O 3.44Å; K57-V71 PolarHBondContact NZ-O 2.95Å; K57-P72 PolarHBondContact N-O 3.31Å; K57-E73 HydrophobicContact CG-CG 4.12Å; K57-E73 CarbonylContact O-C 3.56Å; K57-E73 VanDerWaalsContact O-CA 3.24Å; K57-E73 WeakPolarHBondContact O-CA 3.12Å; K57-I74 WeakPolarHBondContact O-CD1 3.4Å; K57-I74 VanDerWaalsContact O-CG1 3.3Å; K57-I74 WeakPolarHBondContact O-CG1 3.39Å; K57-I74 PolarHBondContact O-N 3.27Å
58	P	98.7	Very high	98.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.264	C	S	.	.			trans	-68	144.8	176.3	30.3	-35.4	0	0	0	111.4	P38 V41 T44 S60 P77	P38-P58 WeakPolarHBondContact O-CD 3.46Å; V41-P58 HydrophobicContact CG2-CG 4.19Å; T44-P58 WeakPolarHBondContact OG1-CD 3.4Å; P58-S60 PolarHBondContact O-N 2.97Å; P58-P77 HydrophobicContact CB-CG 4.05Å
59	T	98.5	Very high	98.2	Very high	49 Å²	49	55.5 Å²	55.5	30%	0.301	28%	0.28	S	S	.	.			trans	-70	122.9	162.5	-61.8	0	0	0	0	108.4	E73 G75	T59-E73 WeakPolarHBondContact CB-OE2 3.48Å; T59-E73 WeakPolarHBondContact CG2-OE2 3.37Å; T59-E73 WeakPolarHBondContact OG1-CB 3.35Å; T59-E73 PolarHBondContact OG1-OE2 3.48Å; T59-G75 PolarHBondContact N-O 3.27Å; T59-G75 WeakPolarHBondContact OG1-CA 3.44Å; T59-G75 PolarHBondContact OG1-N 3.43Å
60	S	97.2	Very high	98.2	Very high	33 Å²	33	56.6 Å²	56.6	23%	0.231	29%	0.291	C	S	.	.			trans	-159	143.5	-174.5	165.8	0	0	0	0	111	V41 P58 K62	V41-S60 WeakPolarHBondContact CG2-OG 3.32Å; P58-S60 PolarHBondContact O-N 2.97Å; S60-K62 VanDerWaalsContact C-N 3.27Å; S60-K62 WeakPolarHBondContact OG-CB 3.42Å; S60-K62 PolarHBondContact OG-N 3.44Å
61	Y	96.1	Very high	98.1	Very high	137 Å²	137	57.7 Å²	57.7	54%	0.537	30%	0.298	S	S	.	.	S	Bend	trans	-74.9	-16.6	169.9	56.7	-96.3	0	0	0	113.1	G230 P232 E265	Y61-G230 WeakPolarHBondContact CE1-O 3.38Å; Y61-G230 PolarHBondContact OH-O 3.43Å; Y61-P232 HydrophobicContact CE2-CG 4.34Å; Y61-P232 WeakPolarHBondContact OH-CD 2.98Å; Y61-E265 PolarHBondContact OH-OE2 2.94Å
62	K	96.8	Very high	98.1	Very high	46 Å²	46	57.4 Å²	57.4	20%	0.2	30%	0.3	C	S	.	.	S	Bend	trans	-72.6	144.6	178.6	-54.9	178.9	-177.4	-179.8	0	110.8	V41 S60 L64 E265 V266	V41-K62 HydrophobicContact CG1-CB 4.38Å; V41-K62 HydrophobicContact CG1-CD 4.31Å; V41-K62 HydrophobicContact CG2-CD 4.39Å; S60-K62 VanDerWaalsContact C-N 3.27Å; S60-K62 WeakPolarHBondContact OG-CB 3.42Å; S60-K62 PolarHBondContact OG-N 3.44Å; K62-L64 PolarHBondContact O-N 2.85Å; K62-E265 WeakPolarHBondContact CE-OE1 3.32Å; K62-E265 WeakPolarHBondContact CE-OE2 3.49Å; K62-E265 IonicContact NZ-OE1 2.61Å; K62-E265 PolarHBondContact NZ-OE1 3.2Å; K62-E265 IonicContact NZ-OE2 3.06Å; K62-E265 PolarHBondContact NZ-OE2 3.12Å; K62-V266 HydrophobicContact CD-CG2 4.38Å
63	T	97.3	Very high	98.1	Very high	132 Å²	132	61.9 Å²	61.9	81%	0.81	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-59.1	125.7	174.1	-51.4	0	0	0	0	111
64	L	98.3	Very high	98.2	Very high	36 Å²	36	58.1 Å²	58.1	19%	0.188	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-102.1	157	172.3	-66.7	-179.8	0	0	0	110.9	V41 T44 K57 K62 N66	V41-L64 HydrophobicContact CB-CD2 4.36Å; V41-L64 HydrophobicContact CG1-CD2 3.9Å; V41-L64 HydrophobicContact CG2-CD2 4.17Å; T44-L64 HydrophobicContact CG2-CD2 4.04Å; K57-L64 HydrophobicContact CB-CD1 4.32Å; K57-L64 HydrophobicContact CD-CD1 3.85Å; K57-L64 HydrophobicContact CG-CD1 4.16Å; K62-L64 PolarHBondContact O-N 2.85Å; L64-N66 PolarHBondContact O-N 3.16Å
65	P	98.5	Very high	98.2	Very high	21 Å²	21	58.5 Å²	58.5	14%	0.136	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-54.8	133.6	176.3	-26.6	34.9	0	0	0	113.1	M45 D48 R67 Y68	M45-P65 HydrophobicContact CG-CG 4.21Å; D48-P65 HydrophobicContact CB-CB 3.74Å; D48-P65 HydrophobicContact CB-CG 3.52Å; D48-P65 VanDerWaalsContact CG-CB 3.41Å; D48-P65 WeakPolarHBondContact OD1-CB 3.37Å; P65-R67 HydrophobicContact CB-CG 4.39Å; P65-R67 PolarHBondContact O-N 3.5Å; P65-R67 VanDerWaalsContact O-N 3.09Å; P65-Y68 HydrophobicContact CB-CD2 3.99Å; P65-Y68 HydrophobicContact CB-CE2 4.23Å; P65-Y68 HydrophobicContact CG-CD2 4.2Å; P65-Y68 HydrophobicContact CG-CE2 4.27Å; P65-Y68 PolarHBondContact O-N 3.38Å
66	N	98.4	Very high	98.1	Very high	128 Å²	128	62.5 Å²	62.5	68%	0.684	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-59.5	-28.4	-172	-173.1	54.7	0	0	0	113.5	L64 Y68 K69	L64-N66 PolarHBondContact O-N 3.16Å; N66-Y68 PolarHBondContact O-N 2.95Å; N66-Y68 VanDerWaalsContact O-N 3.11Å; N66-K69 WeakPolarHBondContact O-CB 3.41Å; N66-K69 VanDerWaalsContact O-CG 3.32Å; N66-K69 WeakPolarHBondContact O-CG 3.49Å; N66-K69 PolarHBondContact O-N 2.59Å; N66-K69 VanDerWaalsContact O-N 3.12Å
67	R	98.3	Very high	98	Very high	113 Å²	113	64.2 Å²	64.2	43%	0.426	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-61.9	-17.1	176.7	73	179.4	-61.3	160	1.2	113.9	D48 D51 P65	D48-R67 WeakPolarHBondContact OD1-CD 3.29Å; D48-R67 WeakPolarHBondContact OD1-CG 3.49Å; D51-R67 IonicContact OD1-CZ 3.95Å; D51-R67 VanDerWaalsContact OD1-CZ 3.23Å; D51-R67 IonicContact OD1-NH1 2.85Å; D51-R67 PolarHBondContact OD1-NH1 3.44Å; D51-R67 IonicContact OD1-NH2 3.66Å; D51-R67 PolarHBondContact OD1-NH2 3.2Å; P65-R67 HydrophobicContact CB-CG 4.39Å; P65-R67 PolarHBondContact O-N 3.5Å; P65-R67 VanDerWaalsContact O-N 3.09Å
68	Y	98.5	Very high	97.8	Very high	4 Å²	4	68.6 Å²	68.6	2%	0.016	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-104.9	12.3	179.5	-53.7	-43	0	0	0	113.2	T44 L47 D48 L52 I54 K57 P65 N66 D70 V71	T44-Y68 HydrophobicContact CG2-CD2 3.57Å; T44-Y68 HydrophobicContact CG2-CE2 3.8Å; T44-Y68 WeakPolarHBondContact O-CE2 3.03Å; L47-Y68 PolarHBondContact O-OH 3.13Å; D48-Y68 VanDerWaalsContact CA-OH 3.31Å; D48-Y68 WeakPolarHBondContact CA-OH 3.42Å; D48-Y68 HydrophobicContact CB-CE2 3.81Å; D48-Y68 PolarHBondContact N-OH 2.71Å; D48-Y68 VanDerWaalsContact N-OH 3.09Å; L52-Y68 WeakPolarHBondContact O-CE1 3.08Å; L52-Y68 PolarHBondContact O-OH 2.96Å; I54-Y68 HydrophobicContact CB-CE1 4.37Å; I54-Y68 HydrophobicContact CD1-CD1 3.63Å; I54-Y68 HydrophobicContact CD1-CD2 3.69Å; I54-Y68 HydrophobicContact CD1-CE1 3.88Å; I54-Y68 HydrophobicContact CD1-CE2 3.91Å; I54-Y68 HydrophobicContact CD1-CG 3.53Å; I54-Y68 HydrophobicContact CG1-CD1 3.48Å; I54-Y68 VanDerWaalsContact CG1-CD1 3.48Å; I54-Y68 HydrophobicContact CG1-CD2 4.45Å; I54-Y68 HydrophobicContact CG1-CE1 3.62Å; I54-Y68 HydrophobicContact CG1-CG 3.94Å; I54-Y68 HydrophobicContact CG2-CE1 4.14Å; K57-Y68 WeakPolarHBondContact CD-O 3.43Å; K57-Y68 PolarHBondContact NZ-O 3.27Å; P65-Y68 HydrophobicContact CB-CD2 3.99Å; P65-Y68 HydrophobicContact CB-CE2 4.23Å; P65-Y68 HydrophobicContact CG-CD2 4.2Å; P65-Y68 HydrophobicContact CG-CE2 4.27Å; P65-Y68 PolarHBondContact O-N 3.38Å; N66-Y68 PolarHBondContact O-N 2.95Å; N66-Y68 VanDerWaalsContact O-N 3.11Å; Y68-D70 PolarHBondContact O-N 3.32Å; Y68-V71 HydrophobicContact CD1-CG2 4.37Å; Y68-V71 PolarHBondContact O-N 3.09Å
69	K	97.8	Very high	97.7	Very high	129 Å²	129	75 Å²	75	56%	0.561	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-40.1	-177.9	67.7	-178.8	-173.7	169.7	0	112.7	K57 N66	K57-K69 PolarHBondContact NZ-O 3.21Å; N66-K69 WeakPolarHBondContact O-CB 3.41Å; N66-K69 VanDerWaalsContact O-CG 3.32Å; N66-K69 WeakPolarHBondContact O-CG 3.49Å; N66-K69 PolarHBondContact O-N 2.59Å; N66-K69 VanDerWaalsContact O-N 3.12Å
70	D	98.1	Very high	97.7	Very high	140 Å²	140	73.1 Å²	73.1	75%	0.749	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-0.9	-175.2	-54.8	-48.6	0	0	0	113.7	Y68	Y68-D70 PolarHBondContact O-N 3.32Å
71	V	98.3	Very high	97.7	Very high	23 Å²	23	75.3 Å²	75.3	14%	0.139	38%	0.38	C	S	.	.	S	Bend	trans	-77.1	133.8	175.6	178.6	0	0	0	0	109.2	I54 G56 K57 Y68	I54-V71 HydrophobicContact CD1-CG1 4.47Å; I54-V71 HydrophobicContact CG1-CG1 4.06Å; I54-V71 HydrophobicContact CG1-CG2 4.1Å; G56-V71 VanDerWaalsContact N-CG1 3.29Å; K57-V71 HydrophobicContact CB-CG1 4.38Å; K57-V71 HydrophobicContact CD-CB 4.37Å; K57-V71 WeakPolarHBondContact CD-O 3.26Å; K57-V71 WeakPolarHBondContact CE-O 3.44Å; K57-V71 PolarHBondContact NZ-O 2.95Å; Y68-V71 HydrophobicContact CD1-CG2 4.37Å; Y68-V71 PolarHBondContact O-N 3.09Å
72	P	98.5	Very high	97.9	Very high	67 Å²	67	69.9 Å²	69.9	44%	0.435	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-66.6	148.5	-178.7	27.5	-35.3	0	0	0	112.4	V55 G56 K57 L88	V55-P72 WeakPolarHBondContact O-CG 3.39Å; G56-P72 WeakPolarHBondContact CA-O 3.23Å; K57-P72 PolarHBondContact N-O 3.31Å; P72-L88 HydrophobicContact CG-CD1 4.29Å; P72-L88 HydrophobicContact CG-CD2 3.6Å
73	E	98.8	Very high	97.9	Very high	98 Å²	98	75.1 Å²	75.1	46%	0.458	39%	0.387	S	S	.	.	B	Isolated β-bridge	trans	-81.1	148.1	173.9	-58.1	-170.3	158.1	0	0	112.1	K57 T59	K57-E73 HydrophobicContact CG-CG 4.12Å; K57-E73 CarbonylContact O-C 3.56Å; K57-E73 VanDerWaalsContact O-CA 3.24Å; K57-E73 WeakPolarHBondContact O-CA 3.12Å; T59-E73 WeakPolarHBondContact CB-OE2 3.48Å; T59-E73 WeakPolarHBondContact CG2-OE2 3.37Å; T59-E73 WeakPolarHBondContact OG1-CB 3.35Å; T59-E73 PolarHBondContact OG1-OE2 3.48Å
74	I	98.7	Very high	98	Very high	2 Å²	2	70.3 Å²	70.3	1%	0.01	36%	0.361	C	S	.	.			trans	-119.9	18	-177.4	54.4	51.8	0	0	0	114.1	V37 K57 P80 N81 A84 V85 L88	V37-I74 HydrophobicContact CG1-CG1 3.73Å; V37-I74 HydrophobicContact CG1-CG2 4.48Å; K57-I74 WeakPolarHBondContact O-CD1 3.4Å; K57-I74 VanDerWaalsContact O-CG1 3.3Å; K57-I74 WeakPolarHBondContact O-CG1 3.39Å; K57-I74 PolarHBondContact O-N 3.27Å; I74-P80 HydrophobicContact CD1-CB 4.18Å; I74-P80 CarbonylContact O-C 3.55Å; I74-P80 WeakPolarHBondContact O-CA 3.49Å; I74-N81 PolarHBondContact O-N 2.86Å; I74-A84 HydrophobicContact CG2-CB 4.44Å; I74-V85 HydrophobicContact CB-CG2 3.71Å; I74-V85 HydrophobicContact CG1-CG2 4.15Å; I74-V85 HydrophobicContact CG2-CG2 3.93Å; I74-L88 HydrophobicContact CG2-CD1 3.52Å
75	G	98.3	Very high	98	Very high	20 Å²	20	68.6 Å²	68.6	21%	0.206	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	96.9	176	-177.7	0	0	0	0	0	113.8	T59	T59-G75 PolarHBondContact N-O 3.27Å; T59-G75 WeakPolarHBondContact OG1-CA 3.44Å; T59-G75 PolarHBondContact OG1-N 3.43Å
76	Q	97.3	Very high	98	Very high	112 Å²	112	72.4 Å²	72.4	52%	0.523	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	153.1	-174.9	-62.2	-171	30.4	0	0	111.7	M78 E79 P80	Q76-M78 VanDerWaalsContact C-N 3.29Å; Q76-M78 PolarHBondContact O-N 3.11Å; Q76-M78 VanDerWaalsContact O-N 3.14Å; Q76-E79 HydrophobicContact CB-CG 4.14Å; Q76-E79 CarbonylContact O-C 3.51Å; Q76-E79 PolarHBondContact O-N 2.81Å; Q76-P80 WeakPolarHBondContact O-CD 3.33Å; Q76-P80 VanDerWaalsContact O-N 3.13Å
77	P	97.2	Very high	98	Very high	36 Å²	36	75 Å²	75	23%	0.234	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-31.7	-174.1	-29.8	36.2	0	0	0	117.2	T39 T40 P58	T39-P77 WeakPolarHBondContact O-CA 3.3Å; T39-P77 VanDerWaalsContact O-CB 3.32Å; T39-P77 WeakPolarHBondContact O-CB 3.5Å; T40-P77 HydrophobicContact CG2-CB 4.36Å; P58-P77 HydrophobicContact CB-CG 4.05Å
78	M	94.5	Very high	98	Very high	114 Å²	114	71.1 Å²	71.1	56%	0.562	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-16.4	179.3	-67.4	-169.7	70.4	0	0	113.4	Q76	Q76-M78 VanDerWaalsContact C-N 3.29Å; Q76-M78 PolarHBondContact O-N 3.11Å; Q76-M78 VanDerWaalsContact O-N 3.14Å
79	E	96.5	Very high	97.9	Very high	136 Å²	136	78.9 Å²	78.9	64%	0.636	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.9	62.2	-178.2	51.4	173.5	-174.9	0	0	112	Q76 N81	Q76-E79 HydrophobicContact CB-CG 4.14Å; Q76-E79 CarbonylContact O-C 3.51Å; Q76-E79 PolarHBondContact O-N 2.81Å; E79-N81 PolarHBondContact O-N 2.94Å
80	P	98.2	Very high	98	Very high	8 Å²	8	73.5 Å²	73.5	5%	0.052	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	141.7	175.9	-24.4	37	0	0	0	111.9	T39 I74 Q76 V82 M103 F106	T39-P80 HydrophobicContact CG2-CG 4.06Å; I74-P80 HydrophobicContact CD1-CB 4.18Å; I74-P80 CarbonylContact O-C 3.55Å; I74-P80 WeakPolarHBondContact O-CA 3.49Å; Q76-P80 WeakPolarHBondContact O-CD 3.33Å; Q76-P80 VanDerWaalsContact O-N 3.13Å; P80-V82 PolarHBondContact O-N 2.85Å; P80-M103 HydrophobicContact CG-CE 3.83Å; P80-F106 HydrophobicContact CB-CD2 4.08Å; P80-F106 HydrophobicContact CB-CE2 3.59Å; P80-F106 HydrophobicContact CB-CZ 3.86Å; P80-F106 HydrophobicContact CG-CE2 4.37Å; P80-F106 HydrophobicContact CG-CZ 4.42Å; P80-F106 WeakPolarHBondContact O-CD2 3.45Å; P80-F106 WeakPolarHBondContact O-CE2 3.48Å
81	N	98.6	Very high	98	Very high	79 Å²	79	69.8 Å²	69.8	42%	0.422	35%	0.353	S	S	.	.			trans	-75.7	113.5	179.4	-176.8	-73.2	0	0	0	110.8	I74 E79 E83 A84 V85	I74-N81 PolarHBondContact O-N 2.86Å; E79-N81 PolarHBondContact O-N 2.94Å; N81-E83 VanDerWaalsContact C-N 3.34Å; N81-E83 PolarHBondContact O-N 2.94Å; N81-E83 PolarHBondContact OD1-N 2.99Å; N81-E83 VanDerWaalsContact OD1-N 3.13Å; N81-A84 HydrophobicContact CB-CB 3.93Å; N81-A84 PolarHBondContact O-N 3.3Å; N81-A84 WeakPolarHBondContact OD1-CB 3.37Å; N81-A84 PolarHBondContact OD1-N 2.85Å; N81-V85 VanDerWaalsContact O-CG2 3.32Å; N81-V85 WeakPolarHBondContact O-CG2 3.46Å; N81-V85 PolarHBondContact O-N 2.79Å
82	V	98.4	Very high	98	Very high	23 Å²	23	69.9 Å²	69.9	14%	0.139	35%	0.352	C	S	.	.	H	α-helix	trans	-59.2	-42	-175.9	175.9	0	0	0	0	112.6	P80 V85 K86 F106 Q109	P80-V82 PolarHBondContact O-N 2.85Å; V82-V85 PolarHBondContact O-N 2.94Å; V82-K86 HydrophobicContact CG1-CD 4.2Å; V82-K86 HydrophobicContact CG1-CG 4.45Å; V82-K86 WeakPolarHBondContact O-CG 3.49Å; V82-K86 PolarHBondContact O-N 2.87Å; V82-F106 HydrophobicContact CG2-CD2 3.57Å; V82-F106 HydrophobicContact CG2-CE2 3.82Å; V82-Q109 HydrophobicContact CG1-CB 4.13Å; V82-Q109 HydrophobicContact CG2-CB 3.95Å
83	E	98	Very high	98	Very high	156 Å²	156	66.7 Å²	66.7	73%	0.729	33%	0.331	S	S	*	.	H	α-helix	trans	-68.8	-43.5	-177.7	-63.6	-176.1	168.3	0	0	111.8	N81 V85 K86 K87	N81-E83 VanDerWaalsContact C-N 3.34Å; N81-E83 PolarHBondContact O-N 2.94Å; N81-E83 PolarHBondContact OD1-N 2.99Å; N81-E83 VanDerWaalsContact OD1-N 3.13Å; E83-V85 VanDerWaalsContact C-N 3.33Å; E83-V85 PolarHBondContact O-N 2.85Å; E83-K86 PolarHBondContact O-N 2.92Å; E83-K87 WeakPolarHBondContact O-CB 3.39Å; E83-K87 PolarHBondContact O-N 3.09Å
84	A	98.6	Very high	98	Very high	32 Å²	32	62 Å²	62	26%	0.264	31%	0.309	S	S	.	.	H	α-helix	trans	-59.1	-45.3	174.9	0	0	0	0	0	110.9	I74 N81 K87 L88	I74-A84 HydrophobicContact CG2-CB 4.44Å; N81-A84 HydrophobicContact CB-CB 3.93Å; N81-A84 PolarHBondContact O-N 3.3Å; N81-A84 WeakPolarHBondContact OD1-CB 3.37Å; N81-A84 PolarHBondContact OD1-N 2.85Å; A84-K87 PolarHBondContact O-N 2.93Å; A84-L88 WeakPolarHBondContact O-CG 3.42Å
85	V	98.7	Very high	98	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.1	-47.4	176.3	176.6	0	0	0	0	111.1	I74 N81 V82 E83 K87 L88 P90 V93 F106 L110	I74-V85 HydrophobicContact CB-CG2 3.71Å; I74-V85 HydrophobicContact CG1-CG2 4.15Å; I74-V85 HydrophobicContact CG2-CG2 3.93Å; N81-V85 VanDerWaalsContact O-CG2 3.32Å; N81-V85 WeakPolarHBondContact O-CG2 3.46Å; N81-V85 PolarHBondContact O-N 2.79Å; V82-V85 PolarHBondContact O-N 2.94Å; E83-V85 VanDerWaalsContact C-N 3.33Å; E83-V85 PolarHBondContact O-N 2.85Å; V85-K87 VanDerWaalsContact C-N 3.3Å; V85-K87 PolarHBondContact O-N 2.82Å; V85-L88 WeakPolarHBondContact O-CB 3.24Å; V85-L88 PolarHBondContact O-N 3.21Å; V85-L88 VanDerWaalsContact O-N 3.13Å; V85-P90 HydrophobicContact CG1-CG 3.94Å; V85-P90 WeakPolarHBondContact O-CD 3.45Å; V85-V93 HydrophobicContact CG1-CG1 4.4Å; V85-V93 HydrophobicContact CG1-CG2 3.75Å; V85-F106 HydrophobicContact CG2-CE2 4.37Å; V85-F106 HydrophobicContact CG2-CZ 4.15Å; V85-L110 HydrophobicContact CB-CD1 4.2Å; V85-L110 HydrophobicContact CG1-CD1 3.7Å; V85-L110 HydrophobicContact CG1-CD2 4.1Å
86	K	98.3	Very high	98	Very high	101 Å²	101	61.1 Å²	61.1	44%	0.439	30%	0.3	S	S	.	.	H	α-helix	trans	-59.8	-38.5	178.9	-76.9	-176	-178.3	177.2	0	112.7	V82 E83 L88 K89 Q109 L110	V82-K86 HydrophobicContact CG1-CD 4.2Å; V82-K86 HydrophobicContact CG1-CG 4.45Å; V82-K86 WeakPolarHBondContact O-CG 3.49Å; V82-K86 PolarHBondContact O-N 2.87Å; E83-K86 PolarHBondContact O-N 2.92Å; K86-L88 PolarHBondContact O-N 3.11Å; K86-K89 PolarHBondContact O-N 2.89Å; K86-Q109 VanDerWaalsContact CE-O 3.28Å; K86-Q109 WeakPolarHBondContact CE-O 3.27Å; K86-Q109 PolarHBondContact NZ-O 3.4Å; K86-L110 WeakPolarHBondContact CE-O 3.44Å; K86-L110 HydrophobicContact CG-CD1 3.66Å
87	K	98.3	Very high	98	Very high	183 Å²	183	57.2 Å²	57.2	80%	0.796	29%	0.285	S	S	*	.	H	α-helix	trans	-58.1	-29.7	178.3	-171.9	175.9	-179.8	178.7	0	112.6	E83 A84 V85 K89	E83-K87 WeakPolarHBondContact O-CB 3.39Å; E83-K87 PolarHBondContact O-N 3.09Å; A84-K87 PolarHBondContact O-N 2.93Å; V85-K87 VanDerWaalsContact C-N 3.3Å; V85-K87 PolarHBondContact O-N 2.82Å; K87-K89 VanDerWaalsContact C-N 3.27Å; K87-K89 PolarHBondContact O-N 2.81Å
88	L	98.3	Very high	97.9	Very high	30 Å²	30	56.7 Å²	56.7	16%	0.157	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-4.5	178.3	-57.3	171.5	0	0	0	113.4	R35 V37 V55 P72 I74 A84 V85 K86	R35-L88 VanDerWaalsContact CZ-O 3.3Å; R35-L88 PolarHBondContact NE-O 2.72Å; R35-L88 PolarHBondContact NH2-O 3.49Å; V37-L88 HydrophobicContact CG2-CD1 4.27Å; V55-L88 HydrophobicContact CG2-CB 4.12Å; V55-L88 VanDerWaalsContact O-CD1 3.32Å; V55-L88 WeakPolarHBondContact O-CD1 3.27Å; P72-L88 HydrophobicContact CG-CD1 4.29Å; P72-L88 HydrophobicContact CG-CD2 3.6Å; I74-L88 HydrophobicContact CG2-CD1 3.52Å; A84-L88 WeakPolarHBondContact O-CG 3.42Å; V85-L88 WeakPolarHBondContact O-CB 3.24Å; V85-L88 PolarHBondContact O-N 3.21Å; V85-L88 VanDerWaalsContact O-N 3.13Å; K86-L88 PolarHBondContact O-N 3.11Å
89	K	97.7	Very high	98	Very high	167 Å²	167	52.4 Å²	52.4	73%	0.726	26%	0.261	S	S	*	.			trans	46	55.4	-178.7	-57.9	-179.9	-179.3	-179.2	0	112.4	R35 K86 K87	R35-K89 VanDerWaalsContact CD-O 3.23Å; R35-K89 WeakPolarHBondContact CD-O 3.11Å; R35-K89 PolarHBondContact NE-O 2.71Å; K86-K89 PolarHBondContact O-N 2.89Å; K87-K89 VanDerWaalsContact C-N 3.27Å; K87-K89 PolarHBondContact O-N 2.81Å
90	P	98.3	Very high	98	Very high	16 Å²	16	50.7 Å²	50.7	10%	0.104	25%	0.251	C	S	.	.			trans	-69.4	150.6	-175.5	29.5	-35.2	0	0	0	111.2	R35 V37 V85 V93 M112	R35-P90 CarbonylContact O-C 3.52Å; R35-P90 VanDerWaalsContact O-CA 3.32Å; R35-P90 WeakPolarHBondContact O-CA 3.43Å; R35-P90 WeakPolarHBondContact O-CB 3.36Å; V37-P90 HydrophobicContact CG2-CB 3.87Å; V85-P90 HydrophobicContact CG1-CG 3.94Å; V85-P90 WeakPolarHBondContact O-CD 3.45Å; P90-V93 HydrophobicContact CB-CG2 3.78Å; P90-V93 HydrophobicContact CG-CG2 3.55Å; P90-M112 HydrophobicContact CB-CE 4.35Å; P90-M112 HydrophobicContact CG-CE 4.03Å; P90-M112 HydrophobicContact CG-SD 3.81Å; P90-M112 VanDerWaalsContact O-CE 3.24Å; P90-M112 WeakPolarHBondContact O-CE 3.46Å
91	T	98.3	Very high	97.9	Very high	63 Å²	63	56.2 Å²	56.2	39%	0.387	28%	0.28	S	S	.	.	S	Bend	trans	-90.7	-27.4	166.2	63.1	0	0	0	0	111	R35	R35-T91 HydrophobicContact CB-CG2 4.23Å; R35-T91 HydrophobicContact CG-CG2 4.47Å; R35-T91 PolarHBondContact N-OG1 3.19Å; R35-T91 PolarHBondContact O-N 3.35Å
92	H	98.7	Very high	97.7	Very high	24 Å²	24	58.1 Å²	58.1	11%	0.111	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	128.8	-179.5	-61.7	74.5	0	0	0	110.5	F34 R35 I36 V37 L94 Y115 Q135 F136	F34-H92 AromaticContact CD1-CE1 3.81Å; R35-H92 PolarHBondContact O-N 3.36Å; I36-H92 WeakPolarHBondContact CA-O 3.5Å; V37-H92 PolarHBondContact N-O 3.11Å; H92-L94 HydrophobicContact CB-CD2 3.8Å; H92-Y115 AromaticContact CD2-CE2 3.78Å; H92-Y115 AromaticContact CD2-CZ 3.71Å; H92-Q135 PolarHBondContact CD2-NE2 3.42Å; H92-Q135 PolarHBondContact NE2-NE2 3.29Å; H92-F136 HydrophobicContact CB-CE1 4.35Å; H92-F136 HydrophobicContact CB-CZ 4.14Å; H92-F136 AromaticContact CD2-CE1 3.94Å; H92-F136 AromaticContact CD2-CZ 3.99Å; H92-F136 AromaticContact CG-CE1 3.81Å; H92-F136 AromaticContact CG-CZ 3.95Å; H92-F136 AromaticContact ND1-CE1 3.89Å
93	V	98.7	Very high	97.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	123.6	171.4	-177.6	0	0	0	0	107.3	V37 T39 V85 P90 F106 Y107 L110 M112	V37-V93 HydrophobicContact CB-CG2 4.26Å; V37-V93 WeakPolarHBondContact O-CA 3.4Å; T39-V93 HydrophobicContact CG2-CG1 3.57Å; V85-V93 HydrophobicContact CG1-CG1 4.4Å; V85-V93 HydrophobicContact CG1-CG2 3.75Å; P90-V93 HydrophobicContact CB-CG2 3.78Å; P90-V93 HydrophobicContact CG-CG2 3.55Å; V93-F106 HydrophobicContact CG1-CE1 3.89Å; V93-F106 HydrophobicContact CG1-CZ 4.11Å; V93-Y107 HydrophobicContact CB-CE1 4.07Å; V93-Y107 HydrophobicContact CG1-CE1 4.12Å; V93-Y107 PolarHBondContact O-OH 3.3Å; V93-L110 HydrophobicContact CB-CD2 3.91Å; V93-L110 HydrophobicContact CG1-CD2 4.02Å; V93-L110 HydrophobicContact CG2-CD2 3.72Å; V93-M112 HydrophobicContact CG2-CE 4.07Å; V93-M112 HydrophobicContact CG2-SD 3.99Å
94	L	98.9	Very high	97.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.4	-164.4	-46.3	-173	0	0	0	110.5	I36 V37 T39 L43 L47 H92 Y115 Y117 L132 F136	I36-L94 HydrophobicContact CG2-CD1 3.63Å; I36-L94 HydrophobicContact CG2-CG 3.97Å; V37-L94 PolarHBondContact O-N 3Å; T39-L94 WeakPolarHBondContact CG2-O 3.42Å; T39-L94 PolarHBondContact N-O 3.3Å; T39-L94 PolarHBondContact OG1-O 3.33Å; L43-L94 HydrophobicContact CD1-CB 3.9Å; L43-L94 WeakPolarHBondContact CD1-O 3.49Å; L47-L94 HydrophobicContact CD1-CD1 4.14Å; L47-L94 HydrophobicContact CD2-CD1 4.31Å; H92-L94 HydrophobicContact CB-CD2 3.8Å; L94-Y115 HydrophobicContact CD2-CD2 4.18Å; L94-Y115 HydrophobicContact CD2-CG 4.15Å; L94-Y117 HydrophobicContact CB-CD2 4.42Å; L94-Y117 HydrophobicContact CB-CE2 3.94Å; L94-Y117 HydrophobicContact CD1-CE2 4.11Å; L94-Y117 HydrophobicContact CD2-CE2 3.93Å; L94-Y117 HydrophobicContact CG-CE2 4.2Å; L94-L132 HydrophobicContact CD1-CD2 3.95Å; L94-F136 HydrophobicContact CD1-CE2 4.19Å; L94-F136 HydrophobicContact CD1-CZ 4.45Å; L94-F136 HydrophobicContact CD2-CZ 4.36Å
95	S	98.7	Very high	97.6	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	-176.6	173.7	-167.2	0	0	0	0	110.7	Y107 Y115 F116 Y117	S95-Y107 WeakPolarHBondContact CB-OH 3.29Å; S95-Y107 PolarHBondContact N-OH 3.41Å; S95-Y115 CarbonylContact C-O 3Å; S95-Y115 WeakPolarHBondContact CA-O 3.46Å; S95-Y115 PolarHBondContact N-O 3.36Å; S95-F116 WeakPolarHBondContact O-CA 3.44Å; S95-Y117 WeakPolarHBondContact O-CD2 3.45Å; S95-Y117 PolarHBondContact O-N 3.49Å
96	V	98.5	Very high	97.6	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.018	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	156.8	-174	-61.8	0	0	0	0	111.8	T40 L43 T98 I99 Y117 F119 T271	T40-V96 HydrophobicContact CG2-CG1 4.15Å; T40-V96 HydrophobicContact CG2-CG2 4.14Å; L43-V96 HydrophobicContact CD1-CG1 3.85Å; L43-V96 HydrophobicContact CG-CG1 4.02Å; V96-T98 VanDerWaalsContact C-N 3.25Å; V96-T98 PolarHBondContact O-N 3.42Å; V96-I99 HydrophobicContact CG2-CD1 4.47Å; V96-I99 HydrophobicContact CG2-CG1 3.97Å; V96-Y117 CarbonylContact C-O 3.58Å; V96-Y117 VanDerWaalsContact CA-O 3.3Å; V96-Y117 WeakPolarHBondContact CA-O 3.31Å; V96-F119 HydrophobicContact CB-CB 4.47Å; V96-F119 HydrophobicContact CG1-CB 4.22Å; V96-F119 HydrophobicContact CG1-CD2 4.01Å; V96-F119 HydrophobicContact CG1-CG 4.14Å; V96-T271 HydrophobicContact CG2-CG2 4.32Å
97	S	97.2	Very high	97.6	Very high	31 Å²	31	52 Å²	52	22%	0.217	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-59	-33.5	179.9	52.4	0	0	0	0	113.6	I99 K100 Y117 D118 D120	S97-I99 PolarHBondContact O-N 3.45Å; S97-I99 VanDerWaalsContact O-N 3.17Å; S97-K100 WeakPolarHBondContact O-CB 3.47Å; S97-K100 PolarHBondContact O-N 2.71Å; S97-Y117 PolarHBondContact N-O 2.86Å; S97-Y117 PolarHBondContact OG-O 2.88Å; S97-D118 WeakPolarHBondContact OG-CA 3.43Å; S97-D120 WeakPolarHBondContact CB-OD2 3.01Å; S97-D120 PolarHBondContact OG-OD2 3.22Å
98	T	95.1	Very high	97.6	Very high	24 Å²	24	51.8 Å²	51.8	15%	0.147	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-58.8	-29.7	-173.8	-39.7	0	0	0	0	113.5	V96 D120 T271	V96-T98 VanDerWaalsContact C-N 3.25Å; V96-T98 PolarHBondContact O-N 3.42Å; T98-D120 WeakPolarHBondContact CB-OD1 3.38Å; T98-D120 PolarHBondContact OG1-OD1 3.25Å; T98-T271 HydrophobicContact CG2-CG2 4.18Å; T98-T271 VanDerWaalsContact OG1-CG2 3.28Å; T98-T271 WeakPolarHBondContact OG1-CG2 3.42Å
99	I	95.3	Very high	97.6	Very high	25 Å²	25	56.4 Å²	56.4	13%	0.128	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-122.6	25.2	-178	58.7	170.2	0	0	0	112.1	V96 S97 D101 E102 M103	V96-I99 HydrophobicContact CG2-CD1 4.47Å; V96-I99 HydrophobicContact CG2-CG1 3.97Å; S97-I99 PolarHBondContact O-N 3.45Å; S97-I99 VanDerWaalsContact O-N 3.17Å; I99-D101 VanDerWaalsContact C-N 3.3Å; I99-D101 PolarHBondContact O-N 3.23Å; I99-E102 VanDerWaalsContact CA-OE2 3.22Å; I99-E102 WeakPolarHBondContact CA-OE2 3.26Å; I99-E102 PolarHBondContact O-N 3.13Å; I99-M103 HydrophobicContact CB-CG 4.3Å; I99-M103 HydrophobicContact CD1-CG 3.65Å; I99-M103 HydrophobicContact CD1-SD 4.21Å; I99-M103 HydrophobicContact CG1-CG 3.8Å; I99-M103 VanDerWaalsContact O-CB 3.25Å; I99-M103 WeakPolarHBondContact O-CB 3.38Å; I99-M103 WeakPolarHBondContact O-CG 3.4Å; I99-M103 PolarHBondContact O-N 3.32Å
100	K	97	Very high	97.6	Very high	100 Å²	100	48.8 Å²	48.8	44%	0.435	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-42.2	-172	171.9	178.4	173.5	-166.7	0	112.3	S97 Q104 F116	S97-K100 WeakPolarHBondContact O-CB 3.47Å; S97-K100 PolarHBondContact O-N 2.71Å; K100-Q104 WeakPolarHBondContact O-CG 3.3Å; K100-Q104 PolarHBondContact O-N 2.84Å; K100-Q104 PolarHBondContact O-NE2 3.05Å; K100-F116 HydrophobicContact CB-CB 4.35Å; K100-F116 HydrophobicContact CB-CD1 3.76Å; K100-F116 HydrophobicContact CB-CE1 4.16Å; K100-F116 HydrophobicContact CB-CG 3.98Å; K100-F116 HydrophobicContact CD-CB 4.25Å; K100-F116 HydrophobicContact CD-CD2 4.04Å; K100-F116 HydrophobicContact CD-CG 4.06Å; K100-F116 HydrophobicContact CG-CB 4.27Å; K100-F116 HydrophobicContact CG-CD1 3.8Å; K100-F116 HydrophobicContact CG-CD2 3.79Å; K100-F116 HydrophobicContact CG-CE1 4Å; K100-F116 HydrophobicContact CG-CE2 3.99Å; K100-F116 HydrophobicContact CG-CG 3.67Å; K100-F116 HydrophobicContact CG-CZ 4.08Å
101	D	95.9	Very high	97.6	Very high	123 Å²	123	54.9 Å²	54.9	66%	0.658	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-41.7	-172.8	-66.5	-16.2	0	0	0	110.2	I99 M103 Q104	I99-D101 VanDerWaalsContact C-N 3.3Å; I99-D101 PolarHBondContact O-N 3.23Å; D101-M103 VanDerWaalsContact C-N 3.26Å; D101-M103 PolarHBondContact O-N 3.22Å; D101-Q104 WeakPolarHBondContact O-CG 3.4Å; D101-Q104 PolarHBondContact O-N 2.77Å
102	E	95.4	Very high	97.6	Very high	119 Å²	119	54.5 Å²	54.5	56%	0.556	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-31.1	175.3	-61.1	79.6	-177.1	0	0	112.3	I99 P105	I99-E102 VanDerWaalsContact CA-OE2 3.22Å; I99-E102 WeakPolarHBondContact CA-OE2 3.26Å; I99-E102 PolarHBondContact O-N 3.13Å; E102-P105 VanDerWaalsContact O-CD 3.3Å; E102-P105 WeakPolarHBondContact O-CD 3.43Å
103	M	97.7	Very high	97.5	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.01	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-5.4	-179.9	-74.4	-65.7	-69.3	0	0	114.2	P80 I99 D101 F106 Y107 F116	P80-M103 HydrophobicContact CG-CE 3.83Å; I99-M103 HydrophobicContact CB-CG 4.3Å; I99-M103 HydrophobicContact CD1-CG 3.65Å; I99-M103 HydrophobicContact CD1-SD 4.21Å; I99-M103 HydrophobicContact CG1-CG 3.8Å; I99-M103 VanDerWaalsContact O-CB 3.25Å; I99-M103 WeakPolarHBondContact O-CB 3.38Å; I99-M103 WeakPolarHBondContact O-CG 3.4Å; I99-M103 PolarHBondContact O-N 3.32Å; D101-M103 VanDerWaalsContact C-N 3.26Å; D101-M103 PolarHBondContact O-N 3.22Å; M103-F106 HydrophobicContact CE-CB 4.13Å; M103-F106 HydrophobicContact CE-CD1 3.39Å; M103-F106 HydrophobicContact CE-CE1 3.96Å; M103-F106 HydrophobicContact CE-CG 3.83Å; M103-F106 WeakPolarHBondContact O-CB 3.38Å; M103-F106 PolarHBondContact O-N 2.68Å; M103-F106 HydrophobicContact SD-CB 4.45Å; M103-Y107 HydrophobicContact CB-CD2 4.39Å; M103-Y107 HydrophobicContact CB-CE2 4.39Å; M103-Y107 HydrophobicContact CE-CE2 4.29Å; M103-Y107 WeakPolarHBondContact O-CD2 3.45Å; M103-Y107 PolarHBondContact O-N 3.48Å; M103-F116 HydrophobicContact CB-CE1 3.79Å; M103-F116 HydrophobicContact CB-CZ 4.41Å
104	Q	97.8	Very high	97.4	Very high	84 Å²	84	61.5 Å²	61.5	39%	0.393	31%	0.309	S	S	.	.	H	α-helix	trans	-58.2	-45	178.2	-64.7	-57.1	-45.9	0	0	113.5	K100 D101 F106 Y107 K108 F116	K100-Q104 WeakPolarHBondContact O-CG 3.3Å; K100-Q104 PolarHBondContact O-N 2.84Å; K100-Q104 PolarHBondContact O-NE2 3.05Å; D101-Q104 WeakPolarHBondContact O-CG 3.4Å; D101-Q104 PolarHBondContact O-N 2.77Å; Q104-F106 VanDerWaalsContact C-N 3.3Å; Q104-F106 PolarHBondContact O-N 3.03Å; Q104-Y107 PolarHBondContact O-N 3.43Å; Q104-K108 WeakPolarHBondContact O-CB 3.35Å; Q104-K108 PolarHBondContact O-N 2.95Å; Q104-F116 VanDerWaalsContact NE2-CZ 3.29Å
105	P	97.8	Very high	97.4	Very high	75 Å²	75	63.1 Å²	63.1	49%	0.487	32%	0.316	S	S	.	.	H	α-helix	trans	-59.5	-39.9	177.5	-24.1	36.1	0	0	0	112.8	E102 K108 Q109	E102-P105 VanDerWaalsContact O-CD 3.3Å; E102-P105 WeakPolarHBondContact O-CD 3.43Å; P105-K108 PolarHBondContact O-N 2.99Å; P105-Q109 WeakPolarHBondContact O-CG 3.46Å; P105-Q109 PolarHBondContact O-N 3.09Å
106	F	98.4	Very high	97.4	Very high	14 Å²	14	65.3 Å²	65.3	6%	0.061	33%	0.325	C	S	.	.	H	α-helix	trans	-58.7	-52	176.2	167.1	-98.5	0	0	0	111.3	P80 V82 V85 V93 M103 Q104 K108 Q109 L110	P80-F106 HydrophobicContact CB-CD2 4.08Å; P80-F106 HydrophobicContact CB-CE2 3.59Å; P80-F106 HydrophobicContact CB-CZ 3.86Å; P80-F106 HydrophobicContact CG-CE2 4.37Å; P80-F106 HydrophobicContact CG-CZ 4.42Å; P80-F106 WeakPolarHBondContact O-CD2 3.45Å; P80-F106 WeakPolarHBondContact O-CE2 3.48Å; V82-F106 HydrophobicContact CG2-CD2 3.57Å; V82-F106 HydrophobicContact CG2-CE2 3.82Å; V85-F106 HydrophobicContact CG2-CE2 4.37Å; V85-F106 HydrophobicContact CG2-CZ 4.15Å; V93-F106 HydrophobicContact CG1-CE1 3.89Å; V93-F106 HydrophobicContact CG1-CZ 4.11Å; M103-F106 HydrophobicContact CE-CB 4.13Å; M103-F106 HydrophobicContact CE-CD1 3.39Å; M103-F106 HydrophobicContact CE-CE1 3.96Å; M103-F106 HydrophobicContact CE-CG 3.83Å; M103-F106 WeakPolarHBondContact O-CB 3.38Å; M103-F106 PolarHBondContact O-N 2.68Å; M103-F106 HydrophobicContact SD-CB 4.45Å; Q104-F106 VanDerWaalsContact C-N 3.3Å; Q104-F106 PolarHBondContact O-N 3.03Å; F106-K108 VanDerWaalsContact C-N 3.32Å; F106-K108 PolarHBondContact O-N 2.82Å; F106-Q109 PolarHBondContact O-N 3.24Å; F106-L110 HydrophobicContact CE1-CD2 3.86Å; F106-L110 HydrophobicContact CZ-CD2 3.83Å; F106-L110 VanDerWaalsContact O-CB 3.28Å; F106-L110 WeakPolarHBondContact O-CB 3.37Å; F106-L110 PolarHBondContact O-N 3.33Å
107	Y	98.5	Very high	97.4	Very high	8 Å²	8	65.4 Å²	65.4	3%	0.031	33%	0.325	C	S	.	.	H	α-helix	trans	-66.4	-32.8	179.8	-79.4	-74.8	0	0	0	113	V93 S95 M103 Q104 L110 N111 G114 Y115 F116	V93-Y107 HydrophobicContact CB-CE1 4.07Å; V93-Y107 HydrophobicContact CG1-CE1 4.12Å; V93-Y107 PolarHBondContact O-OH 3.3Å; S95-Y107 WeakPolarHBondContact CB-OH 3.29Å; S95-Y107 PolarHBondContact N-OH 3.41Å; M103-Y107 HydrophobicContact CB-CD2 4.39Å; M103-Y107 HydrophobicContact CB-CE2 4.39Å; M103-Y107 HydrophobicContact CE-CE2 4.29Å; M103-Y107 WeakPolarHBondContact O-CD2 3.45Å; M103-Y107 PolarHBondContact O-N 3.48Å; Q104-Y107 PolarHBondContact O-N 3.43Å; Y107-L110 HydrophobicContact CD1-CD2 4.29Å; Y107-L110 HydrophobicContact CE1-CD2 4.49Å; Y107-L110 PolarHBondContact O-N 2.88Å; Y107-N111 PolarHBondContact O-N 3.09Å; Y107-G114 VanDerWaalsContact CD1-CA 3.45Å; Y107-Y115 PolarHBondContact OH-O 3.34Å; Y107-F116 AromaticContact CD2-CE1 3.95Å; Y107-F116 HydrophobicContact CD2-CE1 3.95Å; Y107-F116 HydrophobicContact CD2-CE2 4.38Å; Y107-F116 AromaticContact CD2-CZ 3.48Å; Y107-F116 HydrophobicContact CD2-CZ 3.48Å; Y107-F116 VanDerWaalsContact CD2-CZ 3.48Å; Y107-F116 AromaticContact CE2-CE1 3.59Å; Y107-F116 HydrophobicContact CE2-CE1 3.59Å; Y107-F116 HydrophobicContact CE2-CE2 4.42Å; Y107-F116 AromaticContact CE2-CZ 3.54Å; Y107-F116 HydrophobicContact CE2-CZ 3.54Å; Y107-F116 HydrophobicContact CG-CZ 4.47Å
108	K	97.8	Very high	97.5	Very high	180 Å²	180	67 Å²	67	78%	0.783	33%	0.331	S	S	*	.	H	α-helix	trans	-62.6	-46.4	172.9	-174.4	179.5	179.5	-179.2	0	111.6	Q104 P105 F106 N111	Q104-K108 WeakPolarHBondContact O-CB 3.35Å; Q104-K108 PolarHBondContact O-N 2.95Å; P105-K108 PolarHBondContact O-N 2.99Å; F106-K108 VanDerWaalsContact C-N 3.32Å; F106-K108 PolarHBondContact O-N 2.82Å; K108-N111 PolarHBondContact O-N 3.39Å
109	Q	98.1	Very high	97.6	Very high	127 Å²	127	65.8 Å²	65.8	59%	0.593	32%	0.324	S	S	*	.	H	α-helix	trans	-68.4	-36.3	177	-71.2	176.7	-11.9	0	0	112.3	V82 K86 P105 F106 N111	V82-Q109 HydrophobicContact CG1-CB 4.13Å; V82-Q109 HydrophobicContact CG2-CB 3.95Å; K86-Q109 VanDerWaalsContact CE-O 3.28Å; K86-Q109 WeakPolarHBondContact CE-O 3.27Å; K86-Q109 PolarHBondContact NZ-O 3.4Å; P105-Q109 WeakPolarHBondContact O-CG 3.46Å; P105-Q109 PolarHBondContact O-N 3.09Å; F106-Q109 PolarHBondContact O-N 3.24Å; Q109-N111 PolarHBondContact O-N 3.36Å
110	L	98.1	Very high	97.8	Very high	7 Å²	7	65.3 Å²	65.3	4%	0.037	32%	0.322	C	S	.	.	H	α-helix	trans	-66.7	-27.9	176.1	-173.7	61.7	0	0	0	112.3	V85 K86 V93 F106 Y107 M112	V85-L110 HydrophobicContact CB-CD1 4.2Å; V85-L110 HydrophobicContact CG1-CD1 3.7Å; V85-L110 HydrophobicContact CG1-CD2 4.1Å; K86-L110 WeakPolarHBondContact CE-O 3.44Å; K86-L110 HydrophobicContact CG-CD1 3.66Å; V93-L110 HydrophobicContact CB-CD2 3.91Å; V93-L110 HydrophobicContact CG1-CD2 4.02Å; V93-L110 HydrophobicContact CG2-CD2 3.72Å; F106-L110 HydrophobicContact CE1-CD2 3.86Å; F106-L110 HydrophobicContact CZ-CD2 3.83Å; F106-L110 VanDerWaalsContact O-CB 3.28Å; F106-L110 WeakPolarHBondContact O-CB 3.37Å; F106-L110 PolarHBondContact O-N 3.33Å; Y107-L110 HydrophobicContact CD1-CD2 4.29Å; Y107-L110 HydrophobicContact CE1-CD2 4.49Å; Y107-L110 PolarHBondContact O-N 2.88Å; L110-M112 HydrophobicContact CD1-SD 4.14Å; L110-M112 HydrophobicContact CD2-CB 4.03Å; L110-M112 HydrophobicContact CD2-CG 4.22Å; L110-M112 HydrophobicContact CD2-SD 3.81Å; L110-M112 HydrophobicContact CG-CB 4.02Å; L110-M112 HydrophobicContact CG-CG 3.88Å; L110-M112 HydrophobicContact CG-SD 3.78Å
111	N	97.9	Very high	97.8	Very high	144 Å²	144	61.8 Å²	61.8	77%	0.77	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	45.5	-175	-165.4	36.2	0	0	0	112.5	Y107 K108 Q109	Y107-N111 PolarHBondContact O-N 3.09Å; K108-N111 PolarHBondContact O-N 3.39Å; Q109-N111 PolarHBondContact O-N 3.36Å
112	M	97.8	Very high	98	Very high	55 Å²	55	55.9 Å²	55.9	27%	0.271	28%	0.278	S	S	.	.	S	Bend	trans	-134	157.1	178.2	-69.1	-178.5	72.4	0	0	110.5	P90 V93 L110 G114	P90-M112 HydrophobicContact CB-CE 4.35Å; P90-M112 HydrophobicContact CG-CE 4.03Å; P90-M112 HydrophobicContact CG-SD 3.81Å; P90-M112 VanDerWaalsContact O-CE 3.24Å; P90-M112 WeakPolarHBondContact O-CE 3.46Å; V93-M112 HydrophobicContact CG2-CE 4.07Å; V93-M112 HydrophobicContact CG2-SD 3.99Å; L110-M112 HydrophobicContact CD1-SD 4.14Å; L110-M112 HydrophobicContact CD2-CB 4.03Å; L110-M112 HydrophobicContact CD2-CG 4.22Å; L110-M112 HydrophobicContact CD2-SD 3.81Å; L110-M112 HydrophobicContact CG-CB 4.02Å; L110-M112 HydrophobicContact CG-CG 3.88Å; L110-M112 HydrophobicContact CG-SD 3.78Å; M112-G114 PolarHBondContact O-N 3.26Å
113	K	97	Very high	98.1	Very high	144 Å²	144	58.2 Å²	58.2	63%	0.626	29%	0.287	S	S	*	.			trans	-59.6	125.8	173.3	177.6	176.1	172.3	-175	0	110.6	Y115	K113-Y115 HydrophobicContact CB-CE2 4.23Å; K113-Y115 HydrophobicContact CD-CE1 4.23Å; K113-Y115 HydrophobicContact CD-CE2 4.14Å; K113-Y115 HydrophobicContact CG-CE2 4.09Å; K113-Y115 WeakPolarHBondContact O-CD2 3.36Å
114	G	96.8	Very high	98.2	Very high	27 Å²	27	58.3 Å²	58.3	28%	0.278	29%	0.288	S	S	.	.			trans	-72.8	123.3	170.9	0	0	0	0	0	112.4	Y107 M112	Y107-G114 VanDerWaalsContact CD1-CA 3.45Å; M112-G114 PolarHBondContact O-N 3.26Å
115	Y	98.5	Very high	98.2	Very high	33 Å²	33	54.3 Å²	54.3	13%	0.129	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	120.1	168.9	-67.5	-89.4	0	0	0	108.7	H92 L94 S95 Y107 K113 Q135	H92-Y115 AromaticContact CD2-CE2 3.78Å; H92-Y115 AromaticContact CD2-CZ 3.71Å; L94-Y115 HydrophobicContact CD2-CD2 4.18Å; L94-Y115 HydrophobicContact CD2-CG 4.15Å; S95-Y115 CarbonylContact C-O 3Å; S95-Y115 WeakPolarHBondContact CA-O 3.46Å; S95-Y115 PolarHBondContact N-O 3.36Å; Y107-Y115 PolarHBondContact OH-O 3.34Å; K113-Y115 HydrophobicContact CB-CE2 4.23Å; K113-Y115 HydrophobicContact CD-CE1 4.23Å; K113-Y115 HydrophobicContact CD-CE2 4.14Å; K113-Y115 HydrophobicContact CG-CE2 4.09Å; K113-Y115 WeakPolarHBondContact O-CD2 3.36Å; Y115-Q135 PolarHBondContact OH-NE2 2.9Å
116	F	98.6	Very high	98.2	Very high	47 Å²	47	51.8 Å²	51.8	21%	0.206	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	93	-178.9	-58.1	-78.1	0	0	0	108.8	S95 K100 M103 Q104 Y107	S95-F116 WeakPolarHBondContact O-CA 3.44Å; K100-F116 HydrophobicContact CB-CB 4.35Å; K100-F116 HydrophobicContact CB-CD1 3.76Å; K100-F116 HydrophobicContact CB-CE1 4.16Å; K100-F116 HydrophobicContact CB-CG 3.98Å; K100-F116 HydrophobicContact CD-CB 4.25Å; K100-F116 HydrophobicContact CD-CD2 4.04Å; K100-F116 HydrophobicContact CD-CG 4.06Å; K100-F116 HydrophobicContact CG-CB 4.27Å; K100-F116 HydrophobicContact CG-CD1 3.8Å; K100-F116 HydrophobicContact CG-CD2 3.79Å; K100-F116 HydrophobicContact CG-CE1 4Å; K100-F116 HydrophobicContact CG-CE2 3.99Å; K100-F116 HydrophobicContact CG-CG 3.67Å; K100-F116 HydrophobicContact CG-CZ 4.08Å; M103-F116 HydrophobicContact CB-CE1 3.79Å; M103-F116 HydrophobicContact CB-CZ 4.41Å; Q104-F116 VanDerWaalsContact NE2-CZ 3.29Å; Y107-F116 AromaticContact CD2-CE1 3.95Å; Y107-F116 HydrophobicContact CD2-CE1 3.95Å; Y107-F116 HydrophobicContact CD2-CE2 4.38Å; Y107-F116 AromaticContact CD2-CZ 3.48Å; Y107-F116 HydrophobicContact CD2-CZ 3.48Å; Y107-F116 VanDerWaalsContact CD2-CZ 3.48Å; Y107-F116 AromaticContact CE2-CE1 3.59Å; Y107-F116 HydrophobicContact CE2-CE1 3.59Å; Y107-F116 HydrophobicContact CE2-CE2 4.42Å; Y107-F116 AromaticContact CE2-CZ 3.54Å; Y107-F116 HydrophobicContact CE2-CZ 3.54Å; Y107-F116 HydrophobicContact CG-CZ 4.47Å
117	Y	98.8	Very high	98.3	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.016	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	139	-178.8	-66.6	-80.3	0	0	0	111.2	L43 L94 S95 V96 S97 F119 Q131 L132 Q135	L43-Y117 HydrophobicContact CD2-CD2 3.78Å; L43-Y117 HydrophobicContact CD2-CE2 4.47Å; L43-Y117 HydrophobicContact CD2-CG 4.27Å; L94-Y117 HydrophobicContact CB-CD2 4.42Å; L94-Y117 HydrophobicContact CB-CE2 3.94Å; L94-Y117 HydrophobicContact CD1-CE2 4.11Å; L94-Y117 HydrophobicContact CD2-CE2 3.93Å; L94-Y117 HydrophobicContact CG-CE2 4.2Å; S95-Y117 WeakPolarHBondContact O-CD2 3.45Å; S95-Y117 PolarHBondContact O-N 3.49Å; V96-Y117 CarbonylContact C-O 3.58Å; V96-Y117 VanDerWaalsContact CA-O 3.3Å; V96-Y117 WeakPolarHBondContact CA-O 3.31Å; S97-Y117 PolarHBondContact N-O 2.86Å; S97-Y117 PolarHBondContact OG-O 2.88Å; Y117-F119 HydrophobicContact CG-CE2 4.46Å; Y117-F119 PolarHBondContact O-N 2.88Å; Y117-Q131 HydrophobicContact CE1-CB 4.5Å; Y117-Q131 HydrophobicContact CE1-CG 4.18Å; Y117-L132 HydrophobicContact CD1-CD2 4.46Å; Y117-L132 HydrophobicContact CD1-CG 4.3Å; Y117-L132 HydrophobicContact CE1-CD2 3.73Å; Y117-L132 HydrophobicContact CE1-CG 3.85Å; Y117-L132 HydrophobicContact CE2-CD2 3.91Å; Y117-L132 VanDerWaalsContact CZ-CD2 3.42Å; Y117-L132 WeakPolarHBondContact OH-CD2 3.47Å; Y117-Q135 PolarHBondContact OH-OE1 2.88Å
118	D	98.6	Very high	98.3	Very high	64 Å²	64	58.3 Å²	58.3	34%	0.342	28%	0.28	S	S	.	.			trans	-71.8	112.3	175.8	-175.8	-9.2	0	0	0	109.4	S97 D120 G124 M125 S128	S97-D118 WeakPolarHBondContact OG-CA 3.43Å; D118-D120 PolarHBondContact OD1-N 3.41Å; D118-G124 CarbonylContact O-C 3.2Å; D118-G124 VanDerWaalsContact O-O 3.08Å; D118-G124 WeakPolarHBondContact OD2-CA 3.46Å; D118-M125 VanDerWaalsContact O-CA 3.27Å; D118-M125 WeakPolarHBondContact O-CA 3.22Å; D118-M125 PolarHBondContact O-N 3.47Å; D118-M125 VanDerWaalsContact O-N 3.07Å; D118-S128 PolarHBondContact N-OG 2.95Å; D118-S128 PolarHBondContact O-OG 2.92Å
119	F	98.6	Very high	98.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.243	C	C	.	.			trans	-126.4	21	174.3	-83.9	-110.1	0	0	0	110.2	A42 L43 T46 V96 Y117 S121 M125 A272	A42-F119 HydrophobicContact CB-CD1 4.15Å; A42-F119 HydrophobicContact CB-CE1 4.16Å; L43-F119 HydrophobicContact CD2-CE2 3.76Å; L43-F119 HydrophobicContact CD2-CZ 3.9Å; T46-F119 HydrophobicContact CG2-CZ 4.44Å; V96-F119 HydrophobicContact CB-CB 4.47Å; V96-F119 HydrophobicContact CG1-CB 4.22Å; V96-F119 HydrophobicContact CG1-CD2 4.01Å; V96-F119 HydrophobicContact CG1-CG 4.14Å; Y117-F119 HydrophobicContact CG-CE2 4.46Å; Y117-F119 PolarHBondContact O-N 2.88Å; F119-S121 VanDerWaalsContact C-N 3.35Å; F119-M125 HydrophobicContact CD1-CB 4.34Å; F119-M125 HydrophobicContact CD1-CG 3.79Å; F119-M125 HydrophobicContact CD1-SD 3.91Å; F119-M125 HydrophobicContact CE1-CG 3.61Å; F119-M125 HydrophobicContact CE1-SD 3.78Å; F119-M125 HydrophobicContact CG-CG 4.41Å; F119-M125 HydrophobicContact CZ-CG 4.06Å; F119-A272 HydrophobicContact CB-CB 4.4Å; F119-A272 HydrophobicContact CD1-CB 4.32Å; F119-A272 WeakPolarHBondContact CD1-O 3.05Å; F119-A272 VanDerWaalsContact O-CB 3.27Å; F119-A272 WeakPolarHBondContact O-CB 3.44Å; F119-A272 PolarHBondContact O-N 2.96Å
120	D	98.4	Very high	98.4	Very high	14 Å²	14	46.8 Å²	46.8	8%	0.075	23%	0.234	C	C	.	.	S	Bend	trans	-87	-8.1	-179.1	-64.6	-55.3	0	0	0	112.2	S97 T98 D118 S186 Y187 Q207	S97-D120 WeakPolarHBondContact CB-OD2 3.01Å; S97-D120 PolarHBondContact OG-OD2 3.22Å; T98-D120 WeakPolarHBondContact CB-OD1 3.38Å; T98-D120 PolarHBondContact OG1-OD1 3.25Å; D118-D120 PolarHBondContact OD1-N 3.41Å; D120-S186 CarbonylContact O-C 3.57Å; D120-Y187 WeakPolarHBondContact O-CA 3.44Å; D120-Y187 PolarHBondContact O-N 3.12Å; D120-Q207 HydrophobicContact CB-CG 4.2Å; D120-Q207 PolarHBondContact OD1-NE2 2.76Å; D120-Q207 PolarHBondContact OD2-NE2 2.89Å
121	S	98.5	Very high	98.4	Very high	26 Å²	26	50.8 Å²	50.8	18%	0.182	25%	0.252	C	S	.	.	S	Bend	trans	-152.6	166.1	175.5	63.4	0	0	0	0	111.1	F119 K123 G124 M125 D190	F119-S121 VanDerWaalsContact C-N 3.35Å; S121-K123 VanDerWaalsContact C-N 3.33Å; S121-K123 PolarHBondContact O-N 3.17Å; S121-G124 PolarHBondContact O-N 3.22Å; S121-G124 PolarHBondContact OG-N 2.89Å; S121-M125 WeakPolarHBondContact O-CB 3.4Å; S121-M125 PolarHBondContact O-N 2.96Å; S121-D190 WeakPolarHBondContact CB-OD2 3.39Å
122	L	98.5	Very high	98.4	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61	-45.4	175.3	-160.3	-64.4	0	0	0	110.3	G124 M125 Q126 L149 K153 D190 I194 A276 M280	L122-G124 PolarHBondContact O-N 3Å; L122-M125 HydrophobicContact CD2-CE 3.85Å; L122-M125 PolarHBondContact O-N 3.25Å; L122-Q126 HydrophobicContact CD1-CG 3.73Å; L122-Q126 VanDerWaalsContact CD1-OE1 3.32Å; L122-Q126 VanDerWaalsContact O-CG 3.31Å; L122-Q126 WeakPolarHBondContact O-CG 3.26Å; L122-Q126 PolarHBondContact O-N 3.5Å; L122-L149 HydrophobicContact CD1-CB 4.47Å; L122-L149 HydrophobicContact CD2-CD2 4.5Å; L122-K153 HydrophobicContact CD1-CD 4.03Å; L122-K153 HydrophobicContact CG-CD 4.19Å; L122-D190 WeakPolarHBondContact CB-OD2 3.38Å; L122-D190 PolarHBondContact N-OD2 3.45Å; L122-I194 HydrophobicContact CB-CD1 4.1Å; L122-I194 HydrophobicContact CG-CD1 4.46Å; L122-A276 HydrophobicContact CD2-CB 3.62Å; L122-M280 HydrophobicContact CD2-CE 4.27Å
123	K	98.4	Very high	98.5	Very high	167 Å²	167	41.3 Å²	41.3	73%	0.726	20%	0.203	S	C	*	.	H	α-helix	trans	-61.9	-42.8	177.3	-174.7	-176.1	178.6	-170.7	0	112.1	S121 Q126 K127	S121-K123 VanDerWaalsContact C-N 3.33Å; S121-K123 PolarHBondContact O-N 3.17Å; K123-Q126 PolarHBondContact O-N 3.12Å; K123-K127 PolarHBondContact O-N 2.99Å; K123-K127 VanDerWaalsContact O-N 3.13Å
124	G	98.6	Very high	98.5	Very high	4 Å²	4	38.4 Å²	38.4	4%	0.041	19%	0.194	C	C	.	.	H	α-helix	trans	-57.8	-51.3	175	0	0	0	0	0	111.3	D118 S121 L122 Q126 K127 S128	D118-G124 CarbonylContact O-C 3.2Å; D118-G124 VanDerWaalsContact O-O 3.08Å; D118-G124 WeakPolarHBondContact OD2-CA 3.46Å; S121-G124 PolarHBondContact O-N 3.22Å; S121-G124 PolarHBondContact OG-N 2.89Å; L122-G124 PolarHBondContact O-N 3Å; G124-Q126 PolarHBondContact O-N 3.42Å; G124-K127 WeakPolarHBondContact O-CB 3.46Å; G124-K127 PolarHBondContact O-N 3.15Å; G124-S128 PolarHBondContact O-N 3.37Å; G124-S128 PolarHBondContact O-OG 2.85Å; G124-S128 VanDerWaalsContact O-OG 3.14Å
125	M	98.8	Very high	98.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.6	-41.3	178.7	-175.5	177.4	63.6	0	0	112.2	D118 F119 S121 L122 K127 S128 I129 L149 A272 N273 A276	D118-M125 VanDerWaalsContact O-CA 3.27Å; D118-M125 WeakPolarHBondContact O-CA 3.22Å; D118-M125 PolarHBondContact O-N 3.47Å; D118-M125 VanDerWaalsContact O-N 3.07Å; F119-M125 HydrophobicContact CD1-CB 4.34Å; F119-M125 HydrophobicContact CD1-CG 3.79Å; F119-M125 HydrophobicContact CD1-SD 3.91Å; F119-M125 HydrophobicContact CE1-CG 3.61Å; F119-M125 HydrophobicContact CE1-SD 3.78Å; F119-M125 HydrophobicContact CG-CG 4.41Å; F119-M125 HydrophobicContact CZ-CG 4.06Å; S121-M125 WeakPolarHBondContact O-CB 3.4Å; S121-M125 PolarHBondContact O-N 2.96Å; L122-M125 HydrophobicContact CD2-CE 3.85Å; L122-M125 PolarHBondContact O-N 3.25Å; M125-K127 PolarHBondContact O-N 3.42Å; M125-S128 CarbonylContact O-C 3.54Å; M125-S128 WeakPolarHBondContact O-CA 3.43Å; M125-S128 WeakPolarHBondContact O-CB 3.2Å; M125-S128 PolarHBondContact O-N 2.89Å; M125-S128 VanDerWaalsContact O-N 3.15Å; M125-I129 HydrophobicContact CG-CD1 3.87Å; M125-I129 HydrophobicContact CG-CG1 4.35Å; M125-I129 VanDerWaalsContact O-CG1 3.3Å; M125-I129 WeakPolarHBondContact O-CG1 3.36Å; M125-I129 PolarHBondContact O-N 2.87Å; M125-L149 HydrophobicContact CE-CD1 3.85Å; M125-A272 HydrophobicContact CB-CB 4Å; M125-A272 HydrophobicContact CE-CB 4.23Å; M125-A272 HydrophobicContact CG-CB 4.36Å; M125-A272 HydrophobicContact SD-CB 3.7Å; M125-N273 WeakPolarHBondContact CE-O 3.42Å; M125-N273 VanDerWaalsContact SD-C 3.51Å; M125-A276 HydrophobicContact CE-CB 4.18Å
126	Q	98.7	Very high	98.6	Very high	23 Å²	23	38 Å²	38	11%	0.107	19%	0.186	C	C	.	.	H	α-helix	trans	-64	-38.8	177.9	-72.3	176.2	-48.2	0	0	113.1	L122 K123 G124 S128 I129 T130 N146 N150	L122-Q126 HydrophobicContact CD1-CG 3.73Å; L122-Q126 VanDerWaalsContact CD1-OE1 3.32Å; L122-Q126 VanDerWaalsContact O-CG 3.31Å; L122-Q126 WeakPolarHBondContact O-CG 3.26Å; L122-Q126 PolarHBondContact O-N 3.5Å; K123-Q126 PolarHBondContact O-N 3.12Å; G124-Q126 PolarHBondContact O-N 3.42Å; Q126-S128 VanDerWaalsContact C-N 3.33Å; Q126-I129 PolarHBondContact O-N 2.86Å; Q126-T130 PolarHBondContact O-N 2.61Å; Q126-T130 PolarHBondContact O-OG1 3.38Å; Q126-N146 VanDerWaalsContact CA-OD1 3.3Å; Q126-N146 WeakPolarHBondContact CA-OD1 3.21Å; Q126-N146 WeakPolarHBondContact CB-OD1 3.37Å; Q126-N146 WeakPolarHBondContact CG-OD1 3.31Å; Q126-N146 PolarHBondContact NE2-O 2.99Å; Q126-N146 PolarHBondContact O-ND2 2.88Å; Q126-N150 PolarHBondContact NE2-ND2 3.48Å; Q126-N150 PolarHBondContact NE2-OD1 2.82Å; Q126-N150 PolarHBondContact OE1-OD1 2.97Å
127	K	98.8	Very high	98.5	Very high	156 Å²	156	41.8 Å²	41.8	68%	0.678	21%	0.208	S	C	*	.	H	α-helix	trans	-63.1	-43.2	172.5	-174.7	-179.3	177.2	-176.2	0	110.5	K123 G124 M125 T130 Q131	K123-K127 PolarHBondContact O-N 2.99Å; K123-K127 VanDerWaalsContact O-N 3.13Å; G124-K127 WeakPolarHBondContact O-CB 3.46Å; G124-K127 PolarHBondContact O-N 3.15Å; M125-K127 PolarHBondContact O-N 3.42Å; K127-T130 WeakPolarHBondContact O-CB 3.47Å; K127-T130 PolarHBondContact O-N 3.12Å; K127-Q131 PolarHBondContact O-N 2.9Å
128	S	98.8	Very high	98.5	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-62.4	-43.5	175.8	-62	0	0	0	0	112.5	D118 G124 M125 Q126 T130 Q131 L132	D118-S128 PolarHBondContact N-OG 2.95Å; D118-S128 PolarHBondContact O-OG 2.92Å; G124-S128 PolarHBondContact O-N 3.37Å; G124-S128 PolarHBondContact O-OG 2.85Å; G124-S128 VanDerWaalsContact O-OG 3.14Å; M125-S128 CarbonylContact O-C 3.54Å; M125-S128 WeakPolarHBondContact O-CA 3.43Å; M125-S128 WeakPolarHBondContact O-CB 3.2Å; M125-S128 PolarHBondContact O-N 2.89Å; M125-S128 VanDerWaalsContact O-N 3.15Å; Q126-S128 VanDerWaalsContact C-N 3.33Å; S128-T130 VanDerWaalsContact C-N 3.33Å; S128-T130 PolarHBondContact O-N 3.25Å; S128-Q131 PolarHBondContact O-N 3.19Å; S128-L132 WeakPolarHBondContact O-CB 3.49Å; S128-L132 VanDerWaalsContact O-CG 3.25Å; S128-L132 WeakPolarHBondContact O-CG 3.39Å; S128-L132 PolarHBondContact O-N 2.88Å
129	I	98.9	Very high	98.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58.8	-44.9	174.4	-72.1	161.4	0	0	0	110.6	T46 L50 M125 Q126 L132 G133 A142 L145 N146 L149	T46-I129 HydrophobicContact CG2-CG1 3.85Å; L50-I129 HydrophobicContact CD2-CG2 4.39Å; M125-I129 HydrophobicContact CG-CD1 3.87Å; M125-I129 HydrophobicContact CG-CG1 4.35Å; M125-I129 VanDerWaalsContact O-CG1 3.3Å; M125-I129 WeakPolarHBondContact O-CG1 3.36Å; M125-I129 PolarHBondContact O-N 2.87Å; Q126-I129 PolarHBondContact O-N 2.86Å; I129-L132 PolarHBondContact O-N 2.63Å; I129-G133 PolarHBondContact O-N 2.98Å; I129-A142 HydrophobicContact CG2-CB 3.84Å; I129-A142 WeakPolarHBondContact O-CB 3.48Å; I129-L145 HydrophobicContact CD1-CD2 3.67Å; I129-L145 HydrophobicContact CD1-CG 4.09Å; I129-L145 HydrophobicContact CG1-CD2 4.06Å; I129-L145 HydrophobicContact CG2-CB 4.47Å; I129-L145 HydrophobicContact CG2-CD2 4.01Å; I129-L145 HydrophobicContact CG2-CG 4.48Å; I129-N146 WeakPolarHBondContact CD1-OD1 3.48Å; I129-N146 WeakPolarHBondContact CG2-OD1 3.29Å; I129-L149 HydrophobicContact CD1-CD1 3.84Å
130	T	98.9	Very high	98.5	Very high	65 Å²	65	50.7 Å²	50.7	40%	0.399	26%	0.256	S	S	.	.	H	α-helix	trans	-61	-47.3	176.1	-53.7	0	0	0	0	110.9	Q126 K127 S128 L132 G133 D134 N146	Q126-T130 PolarHBondContact O-N 2.61Å; Q126-T130 PolarHBondContact O-OG1 3.38Å; K127-T130 WeakPolarHBondContact O-CB 3.47Å; K127-T130 PolarHBondContact O-N 3.12Å; S128-T130 VanDerWaalsContact C-N 3.33Å; S128-T130 PolarHBondContact O-N 3.25Å; T130-L132 PolarHBondContact O-N 3.02Å; T130-G133 PolarHBondContact O-N 2.88Å; T130-G133 VanDerWaalsContact O-N 3.15Å; T130-D134 PolarHBondContact O-N 3.43Å; T130-N146 PolarHBondContact OG1-ND2 2.75Å
131	Q	98.7	Very high	98.5	Very high	91 Å²	91	52.6 Å²	52.6	43%	0.425	27%	0.265	S	S	.	.	H	α-helix	trans	-60.9	-42.1	178.5	-176.6	-177.7	-5	0	0	112.4	Y117 K127 S128 D134 Q135	Y117-Q131 HydrophobicContact CE1-CB 4.5Å; Y117-Q131 HydrophobicContact CE1-CG 4.18Å; K127-Q131 PolarHBondContact O-N 2.9Å; S128-Q131 PolarHBondContact O-N 3.19Å; Q131-D134 PolarHBondContact O-N 3.32Å; Q131-Q135 WeakPolarHBondContact O-CB 3.48Å; Q131-Q135 PolarHBondContact O-N 3.17Å
132	L	98.8	Very high	98.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.2	-42.3	174.6	-70.6	165.9	0	0	0	111.1	L43 T46 L47 L50 L94 Y117 S128 I129 T130 D134 Q135 F136	L43-L132 HydrophobicContact CD2-CD1 4.48Å; T46-L132 HydrophobicContact CG2-CD1 3.71Å; L47-L132 HydrophobicContact CD2-CD2 4.29Å; L50-L132 HydrophobicContact CD1-CB 3.52Å; L50-L132 HydrophobicContact CD1-CD1 4.27Å; L94-L132 HydrophobicContact CD1-CD2 3.95Å; Y117-L132 HydrophobicContact CD1-CD2 4.46Å; Y117-L132 HydrophobicContact CD1-CG 4.3Å; Y117-L132 HydrophobicContact CE1-CD2 3.73Å; Y117-L132 HydrophobicContact CE1-CG 3.85Å; Y117-L132 HydrophobicContact CE2-CD2 3.91Å; Y117-L132 VanDerWaalsContact CZ-CD2 3.42Å; Y117-L132 WeakPolarHBondContact OH-CD2 3.47Å; S128-L132 WeakPolarHBondContact O-CB 3.49Å; S128-L132 VanDerWaalsContact O-CG 3.25Å; S128-L132 WeakPolarHBondContact O-CG 3.39Å; S128-L132 PolarHBondContact O-N 2.88Å; I129-L132 PolarHBondContact O-N 2.63Å; T130-L132 PolarHBondContact O-N 3.02Å; L132-D134 VanDerWaalsContact C-N 3.34Å; L132-D134 PolarHBondContact O-N 3.01Å; L132-Q135 PolarHBondContact O-N 3.39Å; L132-F136 HydrophobicContact CB-CD2 4.5Å; L132-F136 HydrophobicContact CD2-CD2 4.1Å; L132-F136 HydrophobicContact CD2-CE2 3.63Å; L132-F136 WeakPolarHBondContact O-CD2 3.34Å; L132-F136 PolarHBondContact O-N 3.26Å
133	G	98.7	Very high	98.6	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.6	-40.7	174.9	0	0	0	0	0	113.2	I129 T130 N137 R138 K139	I129-G133 PolarHBondContact O-N 2.98Å; T130-G133 PolarHBondContact O-N 2.88Å; T130-G133 VanDerWaalsContact O-N 3.15Å; G133-N137 PolarHBondContact O-N 3.43Å; G133-R138 CarbonylContact O-C 3.17Å; G133-R138 PolarHBondContact O-N 3.24Å; G133-K139 PolarHBondContact O-N 2.96Å
134	D	98.4	Very high	98.6	Very high	83 Å²	83	56.2 Å²	56.2	44%	0.444	28%	0.28	S	S	.	.	H	α-helix	trans	-68.6	-44.6	174.7	-74.6	-33.3	0	0	0	112	T130 Q131 L132 K139	T130-D134 PolarHBondContact O-N 3.43Å; Q131-D134 PolarHBondContact O-N 3.32Å; L132-D134 VanDerWaalsContact C-N 3.34Å; L132-D134 PolarHBondContact O-N 3.01Å; D134-K139 WeakPolarHBondContact OD1-CD 3.46Å; D134-K139 WeakPolarHBondContact OD1-CE 3.37Å; D134-K139 IonicContact OD1-NZ 2.82Å; D134-K139 PolarHBondContact OD1-NZ 3.32Å
135	Q	97.8	Very high	98.6	Very high	50 Å²	50	56.9 Å²	56.9	23%	0.234	28%	0.282	C	S	.	.	H	α-helix	trans	-68.2	-38.3	-175.8	-175.3	169.8	54.9	0	0	112.8	F34 H92 Y115 Y117 Q131 L132	F34-Q135 WeakPolarHBondContact CZ-O 3.3Å; H92-Q135 PolarHBondContact CD2-NE2 3.42Å; H92-Q135 PolarHBondContact NE2-NE2 3.29Å; Y115-Q135 PolarHBondContact OH-NE2 2.9Å; Y117-Q135 PolarHBondContact OH-OE1 2.88Å; Q131-Q135 WeakPolarHBondContact O-CB 3.48Å; Q131-Q135 PolarHBondContact O-N 3.17Å; L132-Q135 PolarHBondContact O-N 3.39Å
136	F	98.1	Very high	98.6	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.009	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	19.3	-170.8	-55.9	-57.6	0	0	0	114.1	F34 I36 L52 H92 L94 L132	F34-F136 HydrophobicContact CB-CD1 4.32Å; F34-F136 AromaticContact CD1-CD1 3.96Å; F34-F136 HydrophobicContact CD1-CD1 3.96Å; F34-F136 HydrophobicContact CD1-CE1 4.12Å; F34-F136 HydrophobicContact CD2-CB 4.49Å; F34-F136 AromaticContact CD2-CD1 3.86Å; F34-F136 HydrophobicContact CD2-CD1 3.86Å; F34-F136 HydrophobicContact CE1-CD1 4.19Å; F34-F136 HydrophobicContact CE1-CE1 4.48Å; F34-F136 HydrophobicContact CE2-CB 4.5Å; F34-F136 HydrophobicContact CE2-CD1 4.09Å; F34-F136 AromaticContact CG-CD1 3.79Å; F34-F136 HydrophobicContact CG-CD1 3.79Å; F34-F136 HydrophobicContact CG-CE1 4.25Å; F34-F136 HydrophobicContact CZ-CD1 4.24Å; I36-F136 HydrophobicContact CD1-CD1 3.64Å; I36-F136 HydrophobicContact CD1-CD2 4.03Å; I36-F136 HydrophobicContact CD1-CE1 3.67Å; I36-F136 HydrophobicContact CD1-CE2 4.04Å; I36-F136 HydrophobicContact CD1-CG 3.83Å; I36-F136 HydrophobicContact CD1-CZ 3.87Å; I36-F136 HydrophobicContact CG1-CD1 4.35Å; I36-F136 HydrophobicContact CG1-CE1 3.94Å; I36-F136 HydrophobicContact CG1-CZ 4.14Å; L52-F136 HydrophobicContact CD1-CB 3.71Å; L52-F136 HydrophobicContact CD1-CD2 3.86Å; L52-F136 HydrophobicContact CD1-CG 4.08Å; L52-F136 HydrophobicContact CD2-CB 3.65Å; L52-F136 HydrophobicContact CD2-CG 4.46Å; L52-F136 HydrophobicContact CG-CB 4.35Å; H92-F136 HydrophobicContact CB-CE1 4.35Å; H92-F136 HydrophobicContact CB-CZ 4.14Å; H92-F136 AromaticContact CD2-CE1 3.94Å; H92-F136 AromaticContact CD2-CZ 3.99Å; H92-F136 AromaticContact CG-CE1 3.81Å; H92-F136 AromaticContact CG-CZ 3.95Å; H92-F136 AromaticContact ND1-CE1 3.89Å; L94-F136 HydrophobicContact CD1-CE2 4.19Å; L94-F136 HydrophobicContact CD1-CZ 4.45Å; L94-F136 HydrophobicContact CD2-CZ 4.36Å; L132-F136 HydrophobicContact CB-CD2 4.5Å; L132-F136 HydrophobicContact CD2-CD2 4.1Å; L132-F136 HydrophobicContact CD2-CE2 3.63Å; L132-F136 WeakPolarHBondContact O-CD2 3.34Å; L132-F136 PolarHBondContact O-N 3.26Å
137	N	97.7	Very high	98.6	Very high	126 Å²	126	60 Å²	60	67%	0.674	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	54.7	179.4	-168.2	30.6	0	0	0	112.8	G133	G133-N137 PolarHBondContact O-N 3.43Å
138	R	98.4	Very high	98.6	Very high	55 Å²	55	56.6 Å²	56.6	21%	0.208	29%	0.286	C	S	.	.			trans	-135	34.2	179.4	-66.4	-64	-170.2	-84.9	1.4	112.3	L50 D51 L52 G133 A140 Q141 A142	L50-R138 HydrophobicContact CB-CB 4.27Å; L50-R138 HydrophobicContact CB-CG 4.45Å; L50-R138 HydrophobicContact CD2-CB 4.47Å; L50-R138 WeakPolarHBondContact O-CD 3.33Å; L50-R138 WeakPolarHBondContact O-CG 3.31Å; L50-R138 PolarHBondContact O-NE 3.39Å; L50-R138 VanDerWaalsContact O-NE 3.12Å; D51-R138 PolarHBondContact O-NE 3.06Å; D51-R138 PolarHBondContact O-NH2 3.46Å; L52-R138 HydrophobicContact CD1-CG 4.19Å; L52-R138 HydrophobicContact CD2-CG 3.77Å; L52-R138 HydrophobicContact CG-CG 3.86Å; G133-R138 CarbonylContact O-C 3.17Å; G133-R138 PolarHBondContact O-N 3.24Å; R138-A140 VanDerWaalsContact C-N 3.28Å; R138-A140 PolarHBondContact O-N 3.19Å; R138-Q141 HydrophobicContact CB-CB 4.48Å; R138-Q141 VanDerWaalsContact CD-CD 3.5Å; R138-Q141 PolarHBondContact O-N 3.37Å; R138-Q141 PolarHBondContact O-OE1 3.41Å; R138-A142 WeakPolarHBondContact O-CB 3.28Å; R138-A142 PolarHBondContact O-N 3.28Å
139	K	98.6	Very high	98.6	Very high	126 Å²	126	56.5 Å²	56.5	55%	0.548	29%	0.285	S	S	.	.	H	α-helix	trans	-58.3	-38.5	-176.2	-60.3	-168.2	-171.2	-130.8	0	112.9	G133 D134 K143	G133-K139 PolarHBondContact O-N 2.96Å; D134-K139 WeakPolarHBondContact OD1-CD 3.46Å; D134-K139 WeakPolarHBondContact OD1-CE 3.37Å; D134-K139 IonicContact OD1-NZ 2.82Å; D134-K139 PolarHBondContact OD1-NZ 3.32Å; K139-K143 WeakPolarHBondContact O-CB 3.44Å; K139-K143 PolarHBondContact O-N 3.34Å
140	A	98.7	Very high	98.6	Very high	73 Å²	73	60 Å²	60	60%	0.603	30%	0.304	S	S	*	.	H	α-helix	trans	-65.8	-49.9	179.1	0	0	0	0	0	111.5	R138 A142 K143 E144	R138-A140 VanDerWaalsContact C-N 3.28Å; R138-A140 PolarHBondContact O-N 3.19Å; A140-A142 VanDerWaalsContact C-N 3.33Å; A140-A142 PolarHBondContact O-N 3Å; A140-K143 PolarHBondContact O-N 2.97Å; A140-E144 PolarHBondContact O-N 3.03Å
141	Q	98.8	Very high	98.6	Very high	55 Å²	55	60.7 Å²	60.7	26%	0.257	31%	0.312	S	S	.	.	H	α-helix	trans	-62	-41.1	177.1	-63	85.4	-18.7	0	0	111.6	L50 R138 E144 L145	L50-Q141 HydrophobicContact CD2-CB 4Å; R138-Q141 HydrophobicContact CB-CB 4.48Å; R138-Q141 VanDerWaalsContact CD-CD 3.5Å; R138-Q141 PolarHBondContact O-N 3.37Å; R138-Q141 PolarHBondContact O-OE1 3.41Å; Q141-E144 PolarHBondContact O-N 3.23Å; Q141-L145 WeakPolarHBondContact O-CB 3.48Å; Q141-L145 PolarHBondContact O-N 3.04Å
142	A	98.8	Very high	98.6	Very high	3 Å²	3	57.4 Å²	57.4	3%	0.025	30%	0.298	C	S	.	.	H	α-helix	trans	-62.7	-42.5	175.9	0	0	0	0	0	112	L50 I129 R138 A140 N146	L50-A142 VanDerWaalsContact CD2-CA 3.44Å; L50-A142 HydrophobicContact CD2-CB 3.7Å; I129-A142 HydrophobicContact CG2-CB 3.84Å; I129-A142 WeakPolarHBondContact O-CB 3.48Å; R138-A142 WeakPolarHBondContact O-CB 3.28Å; R138-A142 PolarHBondContact O-N 3.28Å; A140-A142 VanDerWaalsContact C-N 3.33Å; A140-A142 PolarHBondContact O-N 3Å; A142-N146 WeakPolarHBondContact O-CB 3.42Å; A142-N146 PolarHBondContact O-N 2.96Å; A142-N146 PolarHBondContact O-ND2 2.73Å
143	K	98.8	Very high	98.6	Very high	122 Å²	122	59.5 Å²	59.5	53%	0.53	31%	0.307	S	S	.	.	H	α-helix	trans	-63.4	-48.5	175.8	-173.2	-174.1	-173.9	-29.7	0	111.2	K139 A140 L145 N146 D147	K139-K143 WeakPolarHBondContact O-CB 3.44Å; K139-K143 PolarHBondContact O-N 3.34Å; A140-K143 PolarHBondContact O-N 2.97Å; K143-L145 PolarHBondContact O-N 3.3Å; K143-N146 PolarHBondContact O-N 3.2Å; K143-D147 IonicContact NZ-OD1 2.67Å; K143-D147 PolarHBondContact NZ-OD1 3.02Å; K143-D147 IonicContact NZ-OD2 2.69Å; K143-D147 PolarHBondContact NZ-OD2 3.43Å; K143-D147 WeakPolarHBondContact O-CB 3.19Å; K143-D147 VanDerWaalsContact O-CG 3.23Å; K143-D147 PolarHBondContact O-N 3.14Å
144	E	98.8	Very high	98.6	Very high	144 Å²	144	64.1 Å²	64.1	67%	0.673	33%	0.328	S	S	*	.	H	α-helix	trans	-57	-48.4	179.3	-176.3	-177.7	173.2	0	0	111.7	A140 Q141 N146 D147 H148	A140-E144 PolarHBondContact O-N 3.03Å; Q141-E144 PolarHBondContact O-N 3.23Å; E144-N146 PolarHBondContact O-N 3.14Å; E144-D147 PolarHBondContact O-N 2.98Å; E144-H148 PolarHBondContact O-N 3.33Å
145	L	98.8	Very high	98.6	Very high	17 Å²	17	66.3 Å²	66.3	9%	0.089	33%	0.334	C	S	.	.	H	α-helix	trans	-61.6	-44.1	177.3	178.6	60.3	0	0	0	112	K49 I129 Q141 K143 H148 L149 V274	K49-L145 HydrophobicContact CB-CD2 3.84Å; K49-L145 HydrophobicContact CG-CD1 4.45Å; K49-L145 HydrophobicContact CG-CD2 4.41Å; I129-L145 HydrophobicContact CD1-CD2 3.67Å; I129-L145 HydrophobicContact CD1-CG 4.09Å; I129-L145 HydrophobicContact CG1-CD2 4.06Å; I129-L145 HydrophobicContact CG2-CB 4.47Å; I129-L145 HydrophobicContact CG2-CD2 4.01Å; I129-L145 HydrophobicContact CG2-CG 4.48Å; Q141-L145 WeakPolarHBondContact O-CB 3.48Å; Q141-L145 PolarHBondContact O-N 3.04Å; K143-L145 PolarHBondContact O-N 3.3Å; L145-H148 PolarHBondContact O-N 2.82Å; L145-L149 HydrophobicContact CD1-CD1 4.2Å; L145-L149 HydrophobicContact CD1-CG 4.38Å; L145-L149 HydrophobicContact CG-CD1 4.12Å; L145-L149 WeakPolarHBondContact O-CG 2.86Å; L145-L149 PolarHBondContact O-N 3.14Å; L145-V274 HydrophobicContact CD2-CG1 3.92Å
146	N	98.8	Very high	98.6	Very high	12 Å²	12	64 Å²	64	6%	0.064	32%	0.323	C	S	.	.	H	α-helix	trans	-66.6	-39	179.1	-80.8	-21.3	0	0	0	112.7	Q126 I129 T130 A142 K143 E144 L149 N150	Q126-N146 VanDerWaalsContact CA-OD1 3.3Å; Q126-N146 WeakPolarHBondContact CA-OD1 3.21Å; Q126-N146 WeakPolarHBondContact CB-OD1 3.37Å; Q126-N146 WeakPolarHBondContact CG-OD1 3.31Å; Q126-N146 PolarHBondContact NE2-O 2.99Å; Q126-N146 PolarHBondContact O-ND2 2.88Å; I129-N146 WeakPolarHBondContact CD1-OD1 3.48Å; I129-N146 WeakPolarHBondContact CG2-OD1 3.29Å; T130-N146 PolarHBondContact OG1-ND2 2.75Å; A142-N146 WeakPolarHBondContact O-CB 3.42Å; A142-N146 PolarHBondContact O-N 2.96Å; A142-N146 PolarHBondContact O-ND2 2.73Å; K143-N146 PolarHBondContact O-N 3.2Å; E144-N146 PolarHBondContact O-N 3.14Å; N146-L149 PolarHBondContact O-N 3.29Å; N146-N150 VanDerWaalsContact O-CB 3.26Å; N146-N150 WeakPolarHBondContact O-CB 3.47Å; N146-N150 VanDerWaalsContact O-CG 3.31Å; N146-N150 PolarHBondContact O-N 2.87Å; N146-N150 PolarHBondContact O-ND2 2.67Å; N146-N150 VanDerWaalsContact O-ND2 3.13Å
147	D	98.8	Very high	98.6	Very high	76 Å²	76	66.5 Å²	66.5	41%	0.406	34%	0.335	S	S	.	.	H	α-helix	trans	-63.3	-42.9	176.2	-71.8	-10.7	0	0	0	110.8	K143 E144 N150 S151	K143-D147 IonicContact NZ-OD1 2.67Å; K143-D147 PolarHBondContact NZ-OD1 3.02Å; K143-D147 IonicContact NZ-OD2 2.69Å; K143-D147 PolarHBondContact NZ-OD2 3.43Å; K143-D147 WeakPolarHBondContact O-CB 3.19Å; K143-D147 VanDerWaalsContact O-CG 3.23Å; K143-D147 PolarHBondContact O-N 3.14Å; E144-D147 PolarHBondContact O-N 2.98Å; D147-N150 PolarHBondContact O-N 3.44Å; D147-S151 WeakPolarHBondContact O-CB 3.37Å; D147-S151 PolarHBondContact O-N 2.69Å
148	H	98.7	Very high	98.7	Very high	86 Å²	86	64.4 Å²	64.4	40%	0.398	32%	0.324	S	S	.	.	H	α-helix	trans	-59	-53	174	173.8	65.2	0	0	0	111.8	E144 L145 N150 S151 V152 D277	E144-H148 PolarHBondContact O-N 3.33Å; L145-H148 PolarHBondContact O-N 2.82Å; H148-N150 VanDerWaalsContact C-N 3.32Å; H148-N150 PolarHBondContact O-N 3.46Å; H148-S151 PolarHBondContact O-N 2.9Å; H148-V152 WeakPolarHBondContact O-CG2 3.3Å; H148-V152 PolarHBondContact O-N 2.9Å; H148-D277 IonicContact CD2-OD2 2.73Å; H148-D277 IonicContact CE1-OD2 3.33Å; H148-D277 IonicContact NE2-OD2 2.7Å; H148-D277 PolarHBondContact NE2-OD2 3.19Å
149	L	98.7	Very high	98.7	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-59.9	-41.4	179.2	-71	169.5	0	0	0	112	L122 M125 I129 L145 N146 K153 A276	L122-L149 HydrophobicContact CD1-CB 4.47Å; L122-L149 HydrophobicContact CD2-CD2 4.5Å; M125-L149 HydrophobicContact CE-CD1 3.85Å; I129-L149 HydrophobicContact CD1-CD1 3.84Å; L145-L149 HydrophobicContact CD1-CD1 4.2Å; L145-L149 HydrophobicContact CD1-CG 4.38Å; L145-L149 HydrophobicContact CG-CD1 4.12Å; L145-L149 WeakPolarHBondContact O-CG 2.86Å; L145-L149 PolarHBondContact O-N 3.14Å; N146-L149 PolarHBondContact O-N 3.29Å; L149-K153 VanDerWaalsContact O-CB 3.28Å; L149-K153 WeakPolarHBondContact O-CB 3.4Å; L149-K153 PolarHBondContact O-N 3.49Å; L149-A276 HydrophobicContact CD2-CB 4.19Å
150	N	98.6	Very high	98.7	Very high	73 Å²	73	59.6 Å²	59.6	39%	0.39	31%	0.305	S	S	.	.	H	α-helix	trans	-62.4	-45.3	175.6	-85.3	-36.2	0	0	0	112.2	Q126 N146 D147 H148 V152 K153 Q154	Q126-N150 PolarHBondContact NE2-ND2 3.48Å; Q126-N150 PolarHBondContact NE2-OD1 2.82Å; Q126-N150 PolarHBondContact OE1-OD1 2.97Å; N146-N150 VanDerWaalsContact O-CB 3.26Å; N146-N150 WeakPolarHBondContact O-CB 3.47Å; N146-N150 VanDerWaalsContact O-CG 3.31Å; N146-N150 PolarHBondContact O-N 2.87Å; N146-N150 PolarHBondContact O-ND2 2.67Å; N146-N150 VanDerWaalsContact O-ND2 3.13Å; D147-N150 PolarHBondContact O-N 3.44Å; H148-N150 VanDerWaalsContact C-N 3.32Å; H148-N150 PolarHBondContact O-N 3.46Å; N150-V152 PolarHBondContact O-N 3.32Å; N150-K153 PolarHBondContact O-N 3.13Å; N150-Q154 WeakPolarHBondContact O-CB 3.47Å; N150-Q154 PolarHBondContact O-N 3.42Å
151	S	98.7	Very high	98.6	Very high	81 Å²	81	60 Å²	60	57%	0.566	31%	0.308	S	S	*	.	H	α-helix	trans	-60.2	-46.4	179.5	-178.8	0	0	0	0	111.3	D147 H148 K155	D147-S151 WeakPolarHBondContact O-CB 3.37Å; D147-S151 PolarHBondContact O-N 2.69Å; H148-S151 PolarHBondContact O-N 2.9Å; S151-K155 WeakPolarHBondContact O-CB 3.39Å; S151-K155 PolarHBondContact O-N 2.95Å
152	V	98.7	Very high	98.6	Very high	22 Å²	22	65.7 Å²	65.7	13%	0.133	33%	0.332	C	S	.	.	H	α-helix	trans	-65.4	-46.9	177	179.9	0	0	0	0	111	H148 N150 Q154 K155 I156 D277 M280	H148-V152 WeakPolarHBondContact O-CG2 3.3Å; H148-V152 PolarHBondContact O-N 2.9Å; N150-V152 PolarHBondContact O-N 3.32Å; V152-Q154 PolarHBondContact O-N 3.1Å; V152-K155 WeakPolarHBondContact O-CB 3.25Å; V152-K155 PolarHBondContact O-N 3.03Å; V152-I156 HydrophobicContact CG1-CG1 4.35Å; V152-I156 WeakPolarHBondContact O-CG1 3.36Å; V152-I156 PolarHBondContact O-N 2.82Å; V152-D277 HydrophobicContact CB-CB 4.28Å; V152-D277 HydrophobicContact CG1-CB 4.06Å; V152-D277 HydrophobicContact CG2-CB 4.01Å; V152-M280 HydrophobicContact CB-CE 4.17Å; V152-M280 HydrophobicContact CG1-CE 3.91Å
153	K	98.7	Very high	98.5	Very high	44 Å²	44	67.1 Å²	67.1	19%	0.191	34%	0.339	C	S	.	.	H	α-helix	trans	-54.6	-52.4	177.1	179.5	179.9	178	-68.6	0	111.4	L122 L149 N150 K155 I156 E157 I194 M280	L122-K153 HydrophobicContact CD1-CD 4.03Å; L122-K153 HydrophobicContact CG-CD 4.19Å; L149-K153 VanDerWaalsContact O-CB 3.28Å; L149-K153 WeakPolarHBondContact O-CB 3.4Å; L149-K153 PolarHBondContact O-N 3.49Å; N150-K153 PolarHBondContact O-N 3.13Å; K153-K155 VanDerWaalsContact C-N 3.31Å; K153-K155 PolarHBondContact O-N 3.37Å; K153-I156 PolarHBondContact O-N 3.16Å; K153-I156 VanDerWaalsContact O-N 3.16Å; K153-E157 IonicContact NZ-OE1 2.82Å; K153-E157 PolarHBondContact NZ-OE1 3.07Å; K153-E157 IonicContact NZ-OE2 3.29Å; K153-E157 PolarHBondContact NZ-OE2 3.36Å; K153-E157 WeakPolarHBondContact O-CG 3.42Å; K153-E157 PolarHBondContact O-N 3.2Å; K153-I194 HydrophobicContact CD-CD1 4.17Å; K153-I194 HydrophobicContact CG-CD1 4.2Å; K153-I194 HydrophobicContact CG-CG1 4.37Å; K153-I194 HydrophobicContact CG-CG2 4.28Å; K153-M280 HydrophobicContact CB-CE 4.22Å; K153-M280 HydrophobicContact CB-SD 3.82Å; K153-M280 HydrophobicContact CG-SD 4.19Å
154	Q	98.7	Very high	98.3	Very high	97 Å²	97	71 Å²	71	45%	0.453	36%	0.355	S	S	.	.	H	α-helix	trans	-61.9	-39.6	-179.6	-170.9	64.9	46.5	0	0	111.7	N150 V152 I156 N158	N150-Q154 WeakPolarHBondContact O-CB 3.47Å; N150-Q154 PolarHBondContact O-N 3.42Å; V152-Q154 PolarHBondContact O-N 3.1Å; Q154-I156 VanDerWaalsContact C-N 3.35Å; Q154-I156 PolarHBondContact O-N 3.18Å; Q154-N158 PolarHBondContact NE2-OD1 2.97Å; Q154-N158 VanDerWaalsContact O-CB 3.22Å; Q154-N158 WeakPolarHBondContact O-CB 3.34Å; Q154-N158 PolarHBondContact O-N 3.39Å; Q154-N158 PolarHBondContact O-ND2 2.94Å; Q154-N158 PolarHBondContact O-OD1 3.38Å
155	K	98.6	Very high	98.2	Very high	128 Å²	128	72 Å²	72	56%	0.557	36%	0.357	S	S	*	.	H	α-helix	trans	-60.7	-43.4	175.7	179.9	-179.2	178.7	179.8	0	111.7	S151 V152 K153 K159	S151-K155 WeakPolarHBondContact O-CB 3.39Å; S151-K155 PolarHBondContact O-N 2.95Å; V152-K155 WeakPolarHBondContact O-CB 3.25Å; V152-K155 PolarHBondContact O-N 3.03Å; K153-K155 VanDerWaalsContact C-N 3.31Å; K153-K155 PolarHBondContact O-N 3.37Å; K155-K159 WeakPolarHBondContact O-CG 3.21Å; K155-K159 PolarHBondContact O-N 3.14Å
156	I	98.6	Very high	98.1	Very high	3 Å²	3	74.7 Å²	74.7	2%	0.015	37%	0.37	C	S	.	.	H	α-helix	trans	-69.7	-45.6	178.8	-63.5	-57.6	0	0	0	111.1	V152 K153 Q154 N158 K159 A160 I194 M280 Y284	V152-I156 HydrophobicContact CG1-CG1 4.35Å; V152-I156 WeakPolarHBondContact O-CG1 3.36Å; V152-I156 PolarHBondContact O-N 2.82Å; K153-I156 PolarHBondContact O-N 3.16Å; K153-I156 VanDerWaalsContact O-N 3.16Å; Q154-I156 VanDerWaalsContact C-N 3.35Å; Q154-I156 PolarHBondContact O-N 3.18Å; I156-N158 VanDerWaalsContact C-N 3.33Å; I156-N158 PolarHBondContact O-N 3.3Å; I156-K159 WeakPolarHBondContact O-CB 3.35Å; I156-K159 PolarHBondContact O-N 2.83Å; I156-K159 VanDerWaalsContact O-N 3.1Å; I156-A160 WeakPolarHBondContact O-CB 3.34Å; I156-A160 PolarHBondContact O-N 3.3Å; I156-I194 HydrophobicContact CB-CG2 4.29Å; I156-I194 HydrophobicContact CG2-CG2 3.97Å; I156-M280 HydrophobicContact CG1-CB 4.19Å; I156-Y284 HydrophobicContact CD1-CG 4.26Å; I156-Y284 HydrophobicContact CG2-CD2 4.06Å; I156-Y284 HydrophobicContact CG2-CG 4.15Å
157	E	98.5	Very high	98.1	Very high	54 Å²	54	74.9 Å²	74.9	25%	0.252	37%	0.371	S	S	.	.	H	α-helix	trans	-60.1	-42.3	176.4	-72.9	177.5	140.8	0	0	111.8	K153 K159 A160 A161 I194	K153-E157 IonicContact NZ-OE1 2.82Å; K153-E157 PolarHBondContact NZ-OE1 3.07Å; K153-E157 IonicContact NZ-OE2 3.29Å; K153-E157 PolarHBondContact NZ-OE2 3.36Å; K153-E157 WeakPolarHBondContact O-CG 3.42Å; K153-E157 PolarHBondContact O-N 3.2Å; E157-K159 VanDerWaalsContact C-N 3.29Å; E157-K159 PolarHBondContact O-N 2.93Å; E157-A160 PolarHBondContact O-N 2.97Å; E157-A161 WeakPolarHBondContact O-CB 3.5Å; E157-A161 PolarHBondContact O-N 3.47Å; E157-I194 HydrophobicContact CG-CG2 4.13Å
158	N	98.5	Very high	98.1	Very high	81 Å²	81	76 Å²	76	43%	0.433	37%	0.372	S	S	.	.	H	α-helix	trans	-63.3	-33.7	176.4	-74.4	-9.7	0	0	0	112.7	Q154 I156 K162	Q154-N158 PolarHBondContact NE2-OD1 2.97Å; Q154-N158 VanDerWaalsContact O-CB 3.22Å; Q154-N158 WeakPolarHBondContact O-CB 3.34Å; Q154-N158 PolarHBondContact O-N 3.39Å; Q154-N158 PolarHBondContact O-ND2 2.94Å; Q154-N158 PolarHBondContact O-OD1 3.38Å; I156-N158 VanDerWaalsContact C-N 3.33Å; I156-N158 PolarHBondContact O-N 3.3Å; N158-K162 WeakPolarHBondContact O-CG 2.99Å
159	K	98.2	Very high	98.1	Very high	76 Å²	76	71.9 Å²	71.9	33%	0.33	35%	0.353	S	S	.	.	H	α-helix	trans	-72.6	-45.6	173.8	-75.2	179.2	173.1	-171.1	0	111	K155 I156 E157 A161 K162 Y284	K155-K159 WeakPolarHBondContact O-CG 3.21Å; K155-K159 PolarHBondContact O-N 3.14Å; I156-K159 WeakPolarHBondContact O-CB 3.35Å; I156-K159 PolarHBondContact O-N 2.83Å; I156-K159 VanDerWaalsContact O-N 3.1Å; E157-K159 VanDerWaalsContact C-N 3.29Å; E157-K159 PolarHBondContact O-N 2.93Å; K159-A161 VanDerWaalsContact C-N 3.35Å; K159-A161 PolarHBondContact O-N 2.82Å; K159-K162 PolarHBondContact O-N 2.78Å; K159-K162 VanDerWaalsContact O-N 3.17Å; K159-Y284 HydrophobicContact CB-CD2 4.28Å; K159-Y284 HydrophobicContact CB-CE1 4.33Å; K159-Y284 HydrophobicContact CB-CE2 3.49Å; K159-Y284 VanDerWaalsContact CB-CE2 3.49Å; K159-Y284 HydrophobicContact CD-CD1 4.34Å; K159-Y284 HydrophobicContact CD-CE1 3.84Å; K159-Y284 HydrophobicContact CD-CE2 4.41Å
160	A	98.2	Very high	98	Very high	4 Å²	4	71.9 Å²	71.9	3%	0.033	35%	0.353	C	S	.	.	H	α-helix	trans	-59.5	-43.5	178.3	0	0	0	0	0	111.8	I156 E157 K162 Q163 H166 Y284	I156-A160 WeakPolarHBondContact O-CB 3.34Å; I156-A160 PolarHBondContact O-N 3.3Å; E157-A160 PolarHBondContact O-N 2.97Å; A160-K162 PolarHBondContact O-N 2.87Å; A160-K162 VanDerWaalsContact O-N 3.12Å; A160-Q163 VanDerWaalsContact O-CB 3.31Å; A160-Q163 WeakPolarHBondContact O-CB 3.21Å; A160-Q163 PolarHBondContact O-N 3.22Å; A160-H166 PolarHBondContact O-CE1 3.43Å; A160-Y284 HydrophobicContact CB-CD2 4.49Å; A160-Y284 HydrophobicContact CB-CE2 4.42Å
161	A	97.9	Very high	98	Very high	82 Å²	82	68.4 Å²	68.4	68%	0.678	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.9	177.9	0	0	0	0	0	114.2	E157 K159	E157-A161 WeakPolarHBondContact O-CB 3.5Å; E157-A161 PolarHBondContact O-N 3.47Å; K159-A161 VanDerWaalsContact C-N 3.35Å; K159-A161 PolarHBondContact O-N 2.82Å
162	K	97.6	Very high	98	Very high	175 Å²	175	64.5 Å²	64.5	76%	0.761	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-7.7	175.8	-66.5	173.3	-176.8	-176.6	0	113	N158 K159 A160	N158-K162 WeakPolarHBondContact O-CG 2.99Å; K159-K162 PolarHBondContact O-N 2.78Å; K159-K162 VanDerWaalsContact O-N 3.17Å; A160-K162 PolarHBondContact O-N 2.87Å; A160-K162 VanDerWaalsContact O-N 3.12Å
163	Q	97.6	Very high	98	Very high	33 Å²	33	63.5 Å²	63.5	15%	0.154	30%	0.302	C	S	.	.			trans	-77.9	133.8	-179.9	-65.4	-68.2	-14.4	0	0	110.5	A160 K165 Y284 Y288	A160-Q163 VanDerWaalsContact O-CB 3.31Å; A160-Q163 WeakPolarHBondContact O-CB 3.21Å; A160-Q163 PolarHBondContact O-N 3.22Å; Q163-K165 VanDerWaalsContact C-N 3.28Å; Q163-K165 PolarHBondContact O-N 3.49Å; Q163-Y284 PolarHBondContact NE2-OH 3.34Å; Q163-Y288 HydrophobicContact CB-CD1 4.33Å; Q163-Y288 HydrophobicContact CB-CE1 3.73Å; Q163-Y288 HydrophobicContact CG-CD1 3.77Å; Q163-Y288 HydrophobicContact CG-CD2 4.1Å; Q163-Y288 HydrophobicContact CG-CE1 3.54Å; Q163-Y288 HydrophobicContact CG-CE2 3.88Å; Q163-Y288 HydrophobicContact CG-CG 4.05Å
164	K	95.5	Very high	97.9	Very high	202 Å²	202	61.4 Å²	61.4	88%	0.878	29%	0.292	S	S	*	.	S	Bend	trans	-71.8	-20	178	-69.2	-172.2	176.2	-178.2	0	114.2
165	K	96	Very high	97.8	Very high	166 Å²	166	58.2 Å²	58.2	72%	0.722	28%	0.28	S	S	*	.			trans	-137.1	141.7	-176	-69.4	-173.8	178.4	178.1	0	108.2	Q163 Y288	Q163-K165 VanDerWaalsContact C-N 3.28Å; Q163-K165 PolarHBondContact O-N 3.49Å; K165-Y288 WeakPolarHBondContact O-CE1 3.46Å
166	H	97.4	Very high	97.5	Very high	74 Å²	74	55.2 Å²	55.2	34%	0.343	27%	0.273	S	S	.	.			trans	-118.3	123.6	177	-66.1	-76.8	0	0	0	107.9	A160 G196 E198 Y288	A160-H166 PolarHBondContact O-CE1 3.43Å; H166-G196 VanDerWaalsContact CB-O 3.27Å; H166-G196 WeakPolarHBondContact CB-O 3.42Å; H166-G196 PolarHBondContact ND1-O 3.43Å; H166-E198 HydrophobicContact CB-CG 4.28Å; H166-Y288 PolarHBondContact ND1-OH 2.87Å
167	P	98.2	Very high	97.3	Very high	15 Å²	15	58.2 Å²	58.2	10%	0.097	31%	0.305	C	S	.	.			trans	-70.3	138.7	-178.6	28.1	-33.3	0	0	0	110.4	V169 G197 E198 D222 I223 F287	P167-V169 HydrophobicContact CB-CG2 4.41Å; P167-V169 HydrophobicContact CG-CG2 4.33Å; P167-V169 WeakPolarHBondContact O-CG2 3.4Å; P167-G197 WeakPolarHBondContact O-CA 3.22Å; P167-E198 PolarHBondContact O-N 3Å; P167-D222 HydrophobicContact CB-CB 4.22Å; P167-I223 HydrophobicContact CB-CD1 3.77Å; P167-I223 HydrophobicContact CB-CG1 4.21Å; P167-I223 HydrophobicContact CG-CD1 4.09Å; P167-F287 HydrophobicContact CG-CB 4.04Å; P167-F287 HydrophobicContact CG-CD1 4.19Å; P167-F287 HydrophobicContact CG-CD2 3.95Å; P167-F287 HydrophobicContact CG-CE2 4.46Å; P167-F287 HydrophobicContact CG-CG 3.81Å
168	K	98.4	Very high	97.1	Very high	99 Å²	99	58.3 Å²	58.3	43%	0.43	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	127.1	165.3	-67.2	-176	-179.4	-178.5	0	109.2	E198 V200 P221 D222 I223	K168-E198 CarbonylContact C-O 3.49Å; K168-E198 WeakPolarHBondContact CA-O 3.28Å; K168-V200 HydrophobicContact CB-CG1 3.77Å; K168-P221 CarbonylContact O-C 3.51Å; K168-P221 WeakPolarHBondContact O-CA 3.41Å; K168-D222 WeakPolarHBondContact CB-OD2 3.34Å; K168-D222 PolarHBondContact N-OD2 3.03Å; K168-D222 PolarHBondContact O-N 3.13Å; K168-I223 PolarHBondContact O-N 3.34Å; K168-I223 VanDerWaalsContact O-N 3.09Å
169	V	98.6	Very high	97	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	129.2	-170.8	-172.5	0	0	0	0	110.7	P167 I171 V192 E198 N199 V200 I223 L225 F287	P167-V169 HydrophobicContact CB-CG2 4.41Å; P167-V169 HydrophobicContact CG-CG2 4.33Å; P167-V169 WeakPolarHBondContact O-CG2 3.4Å; V169-I171 HydrophobicContact CG1-CG1 3.96Å; V169-V192 HydrophobicContact CB-CG1 3.93Å; V169-V192 HydrophobicContact CG1-CG1 4.29Å; V169-V192 HydrophobicContact CG1-CG2 4.19Å; V169-V192 HydrophobicContact CG2-CG1 3.96Å; V169-E198 PolarHBondContact N-O 3.21Å; V169-N199 WeakPolarHBondContact O-CA 3.42Å; V169-N199 PolarHBondContact O-OD1 3.05Å; V169-V200 WeakPolarHBondContact O-CG2 3.41Å; V169-V200 PolarHBondContact O-N 2.95Å; V169-I223 WeakPolarHBondContact CA-O 3.4Å; V169-I223 HydrophobicContact CG2-CB 4.49Å; V169-L225 HydrophobicContact CG1-CD1 3.67Å; V169-L225 HydrophobicContact CG1-CG 3.79Å; V169-F287 HydrophobicContact CG1-CZ 4.39Å; V169-F287 HydrophobicContact CG2-CE1 4.05Å; V169-F287 HydrophobicContact CG2-CE2 4.24Å; V169-F287 HydrophobicContact CG2-CZ 3.66Å
170	L	97.9	Very high	96.9	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	134.8	162.7	173.8	63.3	0	0	0	108.7	L172 V181 V200 I201 L216 I219 P221 I223 I224 L225 W249 F252	L170-L172 HydrophobicContact CD1-CD2 4.13Å; L170-L172 HydrophobicContact CD2-CD2 4.13Å; L170-L172 HydrophobicContact CG-CD2 4Å; L170-L172 HydrophobicContact CG-CG 4.41Å; L170-V181 HydrophobicContact CD1-CG1 3.7Å; L170-V200 HydrophobicContact CB-CG2 3.89Å; L170-V200 HydrophobicContact CD1-CG2 4.04Å; L170-I201 HydrophobicContact CD1-CD1 4.35Å; L170-I201 HydrophobicContact CD1-CG1 4.27Å; L170-L216 HydrophobicContact CD1-CD2 4.19Å; L170-L216 HydrophobicContact CD2-CD1 4.46Å; L170-I219 HydrophobicContact CB-CD1 4.38Å; L170-I219 HydrophobicContact CD1-CD1 3.74Å; L170-I219 HydrophobicContact CD2-CD1 3.95Å; L170-I219 HydrophobicContact CG-CD1 4.24Å; L170-P221 HydrophobicContact CB-CB 3.88Å; L170-P221 HydrophobicContact CB-CG 3.9Å; L170-I223 PolarHBondContact N-O 3.36Å; L170-I224 HydrophobicContact CB-CG1 4.22Å; L170-I224 HydrophobicContact CD2-CD1 4.45Å; L170-I224 HydrophobicContact CD2-CG1 4.27Å; L170-I224 HydrophobicContact CD2-CG2 4.4Å; L170-I224 WeakPolarHBondContact O-CA 3.49Å; L170-L225 PolarHBondContact O-N 3.22Å; L170-W249 HydrophobicContact CD2-CH2 4.31Å; L170-W249 HydrophobicContact CD2-CZ3 3.97Å; L170-F252 HydrophobicContact CD2-CE1 4.48Å
171	I	98.5	Very high	96.8	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	117.1	-176.4	-46.3	166.8	0	0	0	109	V169 V181 A182 I188 V192 L227	V169-I171 HydrophobicContact CG1-CG1 3.96Å; I171-V181 WeakPolarHBondContact O-CA 3.37Å; I171-V181 WeakPolarHBondContact O-CG1 3.39Å; I171-A182 HydrophobicContact CB-CB 3.9Å; I171-A182 HydrophobicContact CG2-CB 3.67Å; I171-A182 PolarHBondContact O-N 3.01Å; I171-I188 HydrophobicContact CD1-CG1 4.4Å; I171-I188 HydrophobicContact CG2-CB 4.35Å; I171-I188 HydrophobicContact CG2-CG1 3.64Å; I171-I188 HydrophobicContact CG2-CG2 3.75Å; I171-V192 HydrophobicContact CD1-CB 4.13Å; I171-V192 HydrophobicContact CD1-CG2 3.57Å; I171-V192 HydrophobicContact CG1-CG2 4.07Å; I171-L227 HydrophobicContact CG2-CD1 3.64Å
172	L	98	Very high	96.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	128.6	176.7	-53.3	-177.9	0	0	0	109.6	L170 Y179 L180 V181 I224 L225 R226 L227 F239 F243 W249	L170-L172 HydrophobicContact CD1-CD2 4.13Å; L170-L172 HydrophobicContact CD2-CD2 4.13Å; L170-L172 HydrophobicContact CG-CD2 4Å; L170-L172 HydrophobicContact CG-CG 4.41Å; L172-Y179 HydrophobicContact CB-CD2 4.47Å; L172-Y179 HydrophobicContact CD1-CD2 4.34Å; L172-Y179 HydrophobicContact CD1-CE2 4.42Å; L172-Y179 HydrophobicContact CD2-CD2 4.06Å; L172-Y179 HydrophobicContact CD2-CE2 4.2Å; L172-L180 CarbonylContact C-O 3.54Å; L172-L180 WeakPolarHBondContact CA-O 3.24Å; L172-V181 HydrophobicContact CD2-CG2 4.1Å; L172-I224 HydrophobicContact CD1-CG2 4.16Å; L172-I224 HydrophobicContact CG-CG2 4.33Å; L172-L225 PolarHBondContact N-O 3.46Å; L172-R226 HydrophobicContact CD1-CG 4.39Å; L172-L227 PolarHBondContact O-N 3.19Å; L172-F239 HydrophobicContact CB-CE1 3.85Å; L172-F239 HydrophobicContact CB-CZ 3.84Å; L172-F239 HydrophobicContact CD1-CE1 4.06Å; L172-F243 HydrophobicContact CD1-CE2 3.85Å; L172-F243 HydrophobicContact CD1-CZ 3.86Å; L172-W249 HydrophobicContact CD1-CH2 3.58Å; L172-W249 HydrophobicContact CD1-CZ2 4.09Å; L172-W249 HydrophobicContact CD1-CZ3 4.23Å; L172-W249 HydrophobicContact CD2-CH2 4.35Å
173	M	98.2	Very high	96.8	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	105.4	174.9	179.7	59.6	68.8	0	0	108.6	Y179 L180 Y208 L227 H229 I270	M173-Y179 CarbonylContact O-C 2.97Å; M173-Y179 WeakPolarHBondContact O-CA 3.48Å; M173-L180 PolarHBondContact N-O 3.4Å; M173-L180 PolarHBondContact O-N 3.26Å; M173-Y208 HydrophobicContact CB-CD1 3.85Å; M173-Y208 HydrophobicContact CB-CE1 3.7Å; M173-Y208 HydrophobicContact CE-CE1 4.01Å; M173-Y208 HydrophobicContact CG-CD1 4.15Å; M173-Y208 HydrophobicContact CG-CE1 3.79Å; M173-L227 HydrophobicContact CE-CB 3.75Å; M173-L227 HydrophobicContact CE-CD2 3.97Å; M173-L227 HydrophobicContact CE-CG 4.43Å; M173-L227 HydrophobicContact SD-CB 3.93Å; M173-H229 HydrophobicContact SD-CB 3.9Å; M173-I270 HydrophobicContact CE-CB 4.43Å; M173-I270 HydrophobicContact CE-CG1 4.32Å; M173-I270 HydrophobicContact SD-CG1 4.46Å
174	G	97.8	Very high	96.8	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	135.1	178.6	0	0	0	0	0	111.2	L227 H229	G174-L227 PolarHBondContact N-O 2.95Å; G174-H229 WeakPolarHBondContact O-CB 3.2Å; G174-H229 PolarHBondContact O-N 3.22Å
175	V	95.4	Very high	96.9	Very high	30 Å²	30	36.6 Å²	36.6	18%	0.182	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	165.7	173.1	-64.1	0	0	0	0	108.1	G177 S178 H229	V175-G177 PolarHBondContact O-N 3.34Å; V175-G177 VanDerWaalsContact O-N 3.11Å; V175-S178 CarbonylContact C-O 3.59Å; V175-S178 WeakPolarHBondContact CG2-O 3.46Å; V175-S178 WeakPolarHBondContact CG2-OG 3.3Å; V175-S178 PolarHBondContact N-O 2.86Å; V175-S178 PolarHBondContact O-N 3.43Å; V175-H229 HydrophobicContact CG1-CB 4.38Å
176	P	92.9	Very high	97	Very high	64 Å²	64	28.7 Å²	28.7	42%	0.416	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	123.8	176.1	-27.3	36.4	0	0	0	111.4	S178 M231	P176-S178 PolarHBondContact O-N 2.96Å; P176-M231 HydrophobicContact CB-SD 4.35Å; P176-M231 HydrophobicContact CG-CB 4.16Å; P176-M231 HydrophobicContact CG-CG 3.97Å; P176-M231 HydrophobicContact CG-SD 4.05Å
177	G	93.4	Very high	97	Very high	67 Å²	67	25.1 Å²	25.1	69%	0.691	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.2	-12.2	178.6	0	0	0	0	0	118.2	V175	V175-G177 PolarHBondContact O-N 3.34Å; V175-G177 VanDerWaalsContact O-N 3.11Å
178	S	94.5	Very high	97.1	Very high	55 Å²	55	24.5 Å²	24.5	39%	0.385	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	174.4	179.2	66	0	0	0	0	113.6	V175 P176 M238	V175-S178 CarbonylContact C-O 3.59Å; V175-S178 WeakPolarHBondContact CG2-O 3.46Å; V175-S178 WeakPolarHBondContact CG2-OG 3.3Å; V175-S178 PolarHBondContact N-O 2.86Å; V175-S178 PolarHBondContact O-N 3.43Å; P176-S178 PolarHBondContact O-N 2.96Å; S178-M238 PolarHBondContact N-SD 3.43Å; S178-M238 VanDerWaalsContact N-SD 3.36Å; S178-M238 VanDerWaalsContact O-CE 3.3Å; S178-M238 WeakPolarHBondContact O-CE 3.37Å
179	Y	96.4	Very high	97.1	Very high	13 Å²	13	19.8 Å²	19.8	5%	0.051	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	148.1	169.6	65.5	-84.6	0	0	0	111.9	L172 M173 S211 T213 M238 F239 E242 W249	L172-Y179 HydrophobicContact CB-CD2 4.47Å; L172-Y179 HydrophobicContact CD1-CD2 4.34Å; L172-Y179 HydrophobicContact CD1-CE2 4.42Å; L172-Y179 HydrophobicContact CD2-CD2 4.06Å; L172-Y179 HydrophobicContact CD2-CE2 4.2Å; M173-Y179 CarbonylContact O-C 2.97Å; M173-Y179 WeakPolarHBondContact O-CA 3.48Å; Y179-S211 WeakPolarHBondContact O-CB 3.25Å; Y179-S211 PolarHBondContact O-OG 2.81Å; Y179-T213 PolarHBondContact OH-OG1 3.45Å; Y179-M238 HydrophobicContact CD1-CE 4.5Å; Y179-F239 HydrophobicContact CD1-CE1 4.31Å; Y179-F239 HydrophobicContact CD2-CE1 4.37Å; Y179-F239 AromaticContact CG-CE1 3.84Å; Y179-F239 HydrophobicContact CG-CE1 3.84Å; Y179-E242 HydrophobicContact CD1-CG 4.35Å; Y179-E242 HydrophobicContact CE1-CG 3.63Å; Y179-E242 PolarHBondContact OH-OE1 2.92Å; Y179-W249 HydrophobicContact CE2-CZ2 4.1Å; Y179-W249 AromaticContact CZ-CZ2 3.92Å; Y179-W249 WeakPolarHBondContact OH-CZ2 3.27Å
180	L	96.2	Very high	97.1	Very high	49 Å²	49	20.9 Å²	20.9	26%	0.257	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	167.6	175	-55.7	174	0	0	0	109.5	L172 M173 Y208 I209	L172-L180 CarbonylContact C-O 3.54Å; L172-L180 WeakPolarHBondContact CA-O 3.24Å; M173-L180 PolarHBondContact N-O 3.4Å; M173-L180 PolarHBondContact O-N 3.26Å; L180-Y208 HydrophobicContact CD1-CG 4.31Å; L180-I209 WeakPolarHBondContact CA-O 3.44Å
181	V	97	Very high	97.1	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.006	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.9	173.4	-167.4	0	0	0	0	109.1	L170 I171 L172 I201 Y208 I209 L216	L170-V181 HydrophobicContact CD1-CG1 3.7Å; I171-V181 WeakPolarHBondContact O-CA 3.37Å; I171-V181 WeakPolarHBondContact O-CG1 3.39Å; L172-V181 HydrophobicContact CD2-CG2 4.1Å; V181-I201 HydrophobicContact CG1-CD1 3.98Å; V181-I201 HydrophobicContact CG1-CG1 3.54Å; V181-Y208 WeakPolarHBondContact O-CA 3.33Å; V181-I209 HydrophobicContact CB-CD1 4.35Å; V181-I209 HydrophobicContact CB-CG1 3.79Å; V181-I209 PolarHBondContact N-O 3.14Å; V181-I209 PolarHBondContact O-N 2.97Å; V181-L216 HydrophobicContact CG2-CD2 4.32Å
182	A	97.7	Very high	97.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	135.2	-175.5	0	0	0	0	0	112	I171 I188 N199 Y208	I171-A182 HydrophobicContact CB-CB 3.9Å; I171-A182 HydrophobicContact CG2-CB 3.67Å; I171-A182 PolarHBondContact O-N 3.01Å; A182-I188 HydrophobicContact CB-CG2 3.61Å; A182-N199 PolarHBondContact O-ND2 3.43Å; A182-N199 VanDerWaalsContact O-ND2 3.11Å; A182-Y208 HydrophobicContact CB-CD1 3.82Å; A182-Y208 HydrophobicContact CB-CE1 3.62Å
183	T	97.5	Very high	97.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.16	C	C	.	.			trans	-99.4	174	179.8	76.6	0	0	0	0	111.8	K185 S186 G189 I201 V203 R206 Q207 I209	T183-K185 PolarHBondContact O-N 2.78Å; T183-K185 VanDerWaalsContact O-N 3.09Å; T183-K185 WeakPolarHBondContact OG1-CB 3.39Å; T183-K185 PolarHBondContact OG1-N 3.36Å; T183-K185 VanDerWaalsContact OG1-N 3.09Å; T183-S186 WeakPolarHBondContact O-CB 3.38Å; T183-S186 PolarHBondContact O-N 3.29Å; T183-S186 PolarHBondContact O-OG 3.16Å; T183-G189 WeakPolarHBondContact O-CA 3.35Å; T183-I201 HydrophobicContact CG2-CG2 4.22Å; T183-V203 VanDerWaalsContact CB-O 3.27Å; T183-V203 WeakPolarHBondContact CB-O 3.19Å; T183-V203 WeakPolarHBondContact CG2-O 3.49Å; T183-R206 WeakPolarHBondContact CB-O 3.4Å; T183-R206 VanDerWaalsContact CG2-O 3.24Å; T183-R206 WeakPolarHBondContact CG2-O 3.31Å; T183-R206 PolarHBondContact OG1-O 3.15Å; T183-Q207 PolarHBondContact N-O 3.02Å; T183-Q207 PolarHBondContact OG1-O 3.23Å; T183-I209 HydrophobicContact CG2-CG2 4.06Å
184	D	97.5	Very high	97.2	Very high	45 Å²	45	27.5 Å²	27.5	24%	0.241	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-14.6	171.6	-67.9	-6.5	0	0	0	113.8	S186 N199 K204	D184-S186 VanDerWaalsContact C-N 3.34Å; D184-N199 WeakPolarHBondContact OD1-CB 3.34Å; D184-N199 PolarHBondContact OD1-ND2 2.92Å; D184-K204 HydrophobicContact CB-CG 4.5Å; D184-K204 WeakPolarHBondContact OD2-CE 3.47Å; D184-K204 IonicContact OD2-NZ 3.73Å
185	K	97	Very high	97.2	Very high	89 Å²	89	27.5 Å²	27.5	39%	0.387	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-14.2	175.3	-165.7	-178.4	170.8	-137.2	0	112.2	T183 K204 D205 Q207	T183-K185 PolarHBondContact O-N 2.78Å; T183-K185 VanDerWaalsContact O-N 3.09Å; T183-K185 WeakPolarHBondContact OG1-CB 3.39Å; T183-K185 PolarHBondContact OG1-N 3.36Å; T183-K185 VanDerWaalsContact OG1-N 3.09Å; K185-K204 WeakPolarHBondContact CD-O 3.48Å; K185-D205 WeakPolarHBondContact CD-O 3.3Å; K185-D205 PolarHBondContact NZ-O 2.99Å; K185-Q207 HydrophobicContact CG-CG 4.32Å
186	S	98.1	Very high	97.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-85	160.1	175.4	71.7	0	0	0	0	112.2	D120 T183 D184 I188 G189 D190 Q207	D120-S186 CarbonylContact O-C 3.57Å; T183-S186 WeakPolarHBondContact O-CB 3.38Å; T183-S186 PolarHBondContact O-N 3.29Å; T183-S186 PolarHBondContact O-OG 3.16Å; D184-S186 VanDerWaalsContact C-N 3.34Å; S186-I188 PolarHBondContact O-N 2.76Å; S186-I188 WeakPolarHBondContact OG-CG2 3.27Å; S186-G189 PolarHBondContact O-N 3.48Å; S186-G189 VanDerWaalsContact O-N 3.12Å; S186-G189 PolarHBondContact OG-N 2.84Å; S186-G189 VanDerWaalsContact OG-N 3.09Å; S186-D190 PolarHBondContact O-N 2.98Å; S186-Q207 WeakPolarHBondContact CB-O 3.26Å
187	Y	98.6	Very high	97.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.5	-46.6	178.2	165.3	-123.5	0	0	0	112	D120 G189 D190 L191 T271 A272 A276 A279	D120-Y187 WeakPolarHBondContact O-CA 3.44Å; D120-Y187 PolarHBondContact O-N 3.12Å; Y187-G189 VanDerWaalsContact C-N 3.28Å; Y187-G189 PolarHBondContact O-N 3.37Å; Y187-D190 WeakPolarHBondContact O-CB 3.39Å; Y187-D190 PolarHBondContact O-N 2.93Å; Y187-D190 VanDerWaalsContact O-N 3.15Å; Y187-L191 HydrophobicContact CD1-CD1 4.26Å; Y187-L191 HydrophobicContact CD2-CD1 4.43Å; Y187-L191 HydrophobicContact CD2-CD2 4.5Å; Y187-L191 HydrophobicContact CD2-CG 4.05Å; Y187-L191 HydrophobicContact CE1-CD1 3.67Å; Y187-L191 HydrophobicContact CE1-CG 4.32Å; Y187-L191 HydrophobicContact CE2-CD1 3.86Å; Y187-L191 HydrophobicContact CE2-CD2 3.68Å; Y187-L191 HydrophobicContact CE2-CG 3.6Å; Y187-L191 VanDerWaalsContact CZ-CD1 3.45Å; Y187-L191 WeakPolarHBondContact O-CG 3.39Å; Y187-L191 PolarHBondContact O-N 3.21Å; Y187-T271 WeakPolarHBondContact CD1-O 3.44Å; Y187-A272 VanDerWaalsContact CD2-CA 3.48Å; Y187-A272 HydrophobicContact CD2-CB 3.49Å; Y187-A272 VanDerWaalsContact CD2-CB 3.49Å; Y187-A272 HydrophobicContact CE2-CB 3.79Å; Y187-A272 VanDerWaalsContact CG-CA 3.45Å; Y187-A272 HydrophobicContact CG-CB 3.9Å; Y187-A272 VanDerWaalsContact CG-N 3.28Å; Y187-A276 HydrophobicContact CE2-CB 4.25Å; Y187-A276 WeakPolarHBondContact OH-CA 3.32Å; Y187-A276 WeakPolarHBondContact OH-CB 3.39Å; Y187-A279 WeakPolarHBondContact OH-CB 3.13Å
188	I	98.7	Very high	97.9	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-64.4	-34.1	177.6	-176.4	60.7	0	0	0	111.9	I171 A182 S186 L191 V192 L227 L263 F268 L283	I171-I188 HydrophobicContact CD1-CG1 4.4Å; I171-I188 HydrophobicContact CG2-CB 4.35Å; I171-I188 HydrophobicContact CG2-CG1 3.64Å; I171-I188 HydrophobicContact CG2-CG2 3.75Å; A182-I188 HydrophobicContact CB-CG2 3.61Å; S186-I188 PolarHBondContact O-N 2.76Å; S186-I188 WeakPolarHBondContact OG-CG2 3.27Å; I188-L191 HydrophobicContact CD1-CB 4.35Å; I188-L191 HydrophobicContact CD1-CD1 4.09Å; I188-L191 PolarHBondContact O-N 3.02Å; I188-V192 VanDerWaalsContact O-CG2 3.31Å; I188-V192 WeakPolarHBondContact O-CG2 3.42Å; I188-V192 PolarHBondContact O-N 2.9Å; I188-L227 HydrophobicContact CB-CD2 3.93Å; I188-L227 HydrophobicContact CD1-CD1 4.48Å; I188-L227 HydrophobicContact CD1-CD2 3.77Å; I188-L227 HydrophobicContact CG1-CD1 3.98Å; I188-L227 HydrophobicContact CG1-CD2 3.57Å; I188-L227 HydrophobicContact CG1-CG 4.47Å; I188-L227 HydrophobicContact CG2-CD2 4.38Å; I188-L263 HydrophobicContact CD1-CD1 4.33Å; I188-F268 HydrophobicContact CD1-CD1 4.24Å; I188-L283 HydrophobicContact CD1-CD2 4.4Å
189	G	98.6	Very high	98	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.1	-43.5	171.5	0	0	0	0	0	112.6	T183 S186 Y187 V192 K193	T183-G189 WeakPolarHBondContact O-CA 3.35Å; S186-G189 PolarHBondContact O-N 3.48Å; S186-G189 VanDerWaalsContact O-N 3.12Å; S186-G189 PolarHBondContact OG-N 2.84Å; S186-G189 VanDerWaalsContact OG-N 3.09Å; Y187-G189 VanDerWaalsContact C-N 3.28Å; Y187-G189 PolarHBondContact O-N 3.37Å; G189-V192 PolarHBondContact O-N 3.15Å; G189-K193 PolarHBondContact O-N 3.34Å
190	D	98.7	Very high	98.1	Very high	23 Å²	23	23 Å²	23	12%	0.123	11%	0.114	C	C	.	.	H	α-helix	trans	-64	-41.4	174.9	-165.8	46	0	0	0	111.6	S121 L122 S186 Y187 K193 I194	S121-D190 WeakPolarHBondContact CB-OD2 3.39Å; L122-D190 WeakPolarHBondContact CB-OD2 3.38Å; L122-D190 PolarHBondContact N-OD2 3.45Å; S186-D190 PolarHBondContact O-N 2.98Å; Y187-D190 WeakPolarHBondContact O-CB 3.39Å; Y187-D190 PolarHBondContact O-N 2.93Å; Y187-D190 VanDerWaalsContact O-N 3.15Å; D190-K193 PolarHBondContact O-N 3.13Å; D190-I194 WeakPolarHBondContact O-CB 3.29Å; D190-I194 VanDerWaalsContact O-CG1 3.26Å; D190-I194 WeakPolarHBondContact O-CG1 3.34Å; D190-I194 PolarHBondContact O-N 3.3Å
191	L	98.9	Very high	98	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.3	-45.9	173.2	-71.1	-179.3	0	0	0	112.4	Y187 I188 K193 I194 A195 F268 A279 M280 L283	Y187-L191 HydrophobicContact CD1-CD1 4.26Å; Y187-L191 HydrophobicContact CD2-CD1 4.43Å; Y187-L191 HydrophobicContact CD2-CD2 4.5Å; Y187-L191 HydrophobicContact CD2-CG 4.05Å; Y187-L191 HydrophobicContact CE1-CD1 3.67Å; Y187-L191 HydrophobicContact CE1-CG 4.32Å; Y187-L191 HydrophobicContact CE2-CD1 3.86Å; Y187-L191 HydrophobicContact CE2-CD2 3.68Å; Y187-L191 HydrophobicContact CE2-CG 3.6Å; Y187-L191 VanDerWaalsContact CZ-CD1 3.45Å; Y187-L191 WeakPolarHBondContact O-CG 3.39Å; Y187-L191 PolarHBondContact O-N 3.21Å; I188-L191 HydrophobicContact CD1-CB 4.35Å; I188-L191 HydrophobicContact CD1-CD1 4.09Å; I188-L191 PolarHBondContact O-N 3.02Å; L191-K193 VanDerWaalsContact C-N 3.28Å; L191-K193 PolarHBondContact O-N 3.42Å; L191-I194 PolarHBondContact O-N 2.88Å; L191-A195 WeakPolarHBondContact O-CB 3.28Å; L191-A195 PolarHBondContact O-N 3.49Å; L191-F268 HydrophobicContact CD1-CD1 4.02Å; L191-F268 HydrophobicContact CD1-CE1 4.4Å; L191-A279 HydrophobicContact CD1-CB 3.7Å; L191-A279 HydrophobicContact CD2-CB 4.15Å; L191-M280 HydrophobicContact CD2-CB 4.44Å; L191-M280 HydrophobicContact CD2-CG 3.44Å; L191-M280 VanDerWaalsContact CD2-CG 3.44Å; L191-L283 HydrophobicContact CB-CD2 3.77Å
192	V	98.8	Very high	97.8	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	13%	0.133	C	C	.	.	H	α-helix	trans	-57.5	-45.7	177.2	165.5	0	0	0	0	110	V169 I171 I188 G189 A195 G196 G197 L225 L283 F287	V169-V192 HydrophobicContact CB-CG1 3.93Å; V169-V192 HydrophobicContact CG1-CG1 4.29Å; V169-V192 HydrophobicContact CG1-CG2 4.19Å; V169-V192 HydrophobicContact CG2-CG1 3.96Å; I171-V192 HydrophobicContact CD1-CB 4.13Å; I171-V192 HydrophobicContact CD1-CG2 3.57Å; I171-V192 HydrophobicContact CG1-CG2 4.07Å; I188-V192 VanDerWaalsContact O-CG2 3.31Å; I188-V192 WeakPolarHBondContact O-CG2 3.42Å; I188-V192 PolarHBondContact O-N 2.9Å; G189-V192 PolarHBondContact O-N 3.15Å; V192-A195 PolarHBondContact O-N 3.01Å; V192-G196 PolarHBondContact O-N 3.44Å; V192-G197 WeakPolarHBondContact O-CA 3.36Å; V192-G197 PolarHBondContact O-N 2.88Å; V192-L225 HydrophobicContact CG2-CD1 3.85Å; V192-L283 HydrophobicContact CG2-CD2 3.97Å; V192-F287 HydrophobicContact CG1-CE2 4.3Å; V192-F287 HydrophobicContact CG1-CZ 4.26Å; V192-F287 HydrophobicContact CG2-CZ 4.12Å
193	K	98.6	Very high	97.5	Very high	138 Å²	138	31 Å²	31	60%	0.6	15%	0.153	S	C	*	.	H	α-helix	trans	-62.1	-47.2	176.4	179	-176	168.3	-168.6	0	112.2	G189 D190 L191 A195 G196	G189-K193 PolarHBondContact O-N 3.34Å; D190-K193 PolarHBondContact O-N 3.13Å; L191-K193 VanDerWaalsContact C-N 3.28Å; L191-K193 PolarHBondContact O-N 3.42Å; K193-A195 VanDerWaalsContact C-N 3.31Å; K193-A195 PolarHBondContact O-N 3.39Å; K193-G196 PolarHBondContact O-N 2.73Å
194	I	98.7	Very high	97	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-59.8	-42	178.4	-72.4	164	0	0	0	111.1	L122 K153 I156 E157 D190 L191 G196 M280	L122-I194 HydrophobicContact CB-CD1 4.1Å; L122-I194 HydrophobicContact CG-CD1 4.46Å; K153-I194 HydrophobicContact CD-CD1 4.17Å; K153-I194 HydrophobicContact CG-CD1 4.2Å; K153-I194 HydrophobicContact CG-CG1 4.37Å; K153-I194 HydrophobicContact CG-CG2 4.28Å; I156-I194 HydrophobicContact CB-CG2 4.29Å; I156-I194 HydrophobicContact CG2-CG2 3.97Å; E157-I194 HydrophobicContact CG-CG2 4.13Å; D190-I194 WeakPolarHBondContact O-CB 3.29Å; D190-I194 VanDerWaalsContact O-CG1 3.26Å; D190-I194 WeakPolarHBondContact O-CG1 3.34Å; D190-I194 PolarHBondContact O-N 3.3Å; L191-I194 PolarHBondContact O-N 2.88Å; I194-G196 PolarHBondContact O-N 3.36Å; I194-M280 HydrophobicContact CD1-SD 4.07Å; I194-M280 HydrophobicContact CG2-CB 4.49Å; I194-M280 HydrophobicContact CG2-CG 3.99Å; I194-M280 HydrophobicContact CG2-SD 3.76Å
195	A	98.7	Very high	96.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-3.2	176.8	0	0	0	0	0	113.3	L191 V192 K193 L283 F287 Y288	L191-A195 WeakPolarHBondContact O-CB 3.28Å; L191-A195 PolarHBondContact O-N 3.49Å; V192-A195 PolarHBondContact O-N 3.01Å; K193-A195 VanDerWaalsContact C-N 3.31Å; K193-A195 PolarHBondContact O-N 3.39Å; A195-L283 HydrophobicContact CB-CB 4.23Å; A195-L283 HydrophobicContact CB-CD2 4.13Å; A195-L283 HydrophobicContact CB-CG 4.01Å; A195-F287 HydrophobicContact CB-CD2 3.76Å; A195-F287 HydrophobicContact CB-CE2 3.78Å; A195-Y288 VanDerWaalsContact O-CE2 3.31Å; A195-Y288 WeakPolarHBondContact O-CE2 2.96Å
196	G	98.5	Very high	96.5	Very high	10 Å²	10	41.3 Å²	41.3	10%	0.103	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	21	179.2	0	0	0	0	0	114.4	H166 V192 K193 I194 Y288	H166-G196 VanDerWaalsContact CB-O 3.27Å; H166-G196 WeakPolarHBondContact CB-O 3.42Å; H166-G196 PolarHBondContact ND1-O 3.43Å; V192-G196 PolarHBondContact O-N 3.44Å; K193-G196 PolarHBondContact O-N 2.73Å; I194-G196 PolarHBondContact O-N 3.36Å; G196-Y288 PolarHBondContact O-OH 3.37Å; G196-Y288 VanDerWaalsContact O-OH 3.13Å
197	G	98.5	Very high	96.4	Very high	8 Å²	8	42.5 Å²	42.5	8%	0.082	20%	0.202	C	C	.	.			trans	-85.2	154.7	166.4	0	0	0	0	0	111.5	P167 V192	P167-G197 WeakPolarHBondContact O-CA 3.22Å; V192-G197 WeakPolarHBondContact O-CA 3.36Å; V192-G197 PolarHBondContact O-N 2.88Å
198	E	98.3	Very high	96.2	Very high	90 Å²	90	44.1 Å²	44.1	42%	0.421	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	111	174.8	-67.5	-176.1	-173.8	0	0	110.2	H166 P167 K168 V169 V200	H166-E198 HydrophobicContact CB-CG 4.28Å; P167-E198 PolarHBondContact O-N 3Å; K168-E198 CarbonylContact C-O 3.49Å; K168-E198 WeakPolarHBondContact CA-O 3.28Å; V169-E198 PolarHBondContact N-O 3.21Å; E198-V200 PolarHBondContact O-N 2.86Å
199	N	97.9	Very high	96	Very high	5 Å²	5	45.8 Å²	45.8	3%	0.027	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	126.6	175.1	-166.5	-14.1	0	0	0	110.3	V169 A182 D184 I201 K202	V169-N199 WeakPolarHBondContact O-CA 3.42Å; V169-N199 PolarHBondContact O-OD1 3.05Å; A182-N199 PolarHBondContact O-ND2 3.43Å; A182-N199 VanDerWaalsContact O-ND2 3.11Å; D184-N199 WeakPolarHBondContact OD1-CB 3.34Å; D184-N199 PolarHBondContact OD1-ND2 2.92Å; N199-I201 PolarHBondContact O-N 2.79Å; N199-I201 PolarHBondContact OD1-N 2.73Å; N199-K202 VanDerWaalsContact O-CE 3.29Å; N199-K202 WeakPolarHBondContact O-CE 3.32Å; N199-K202 PolarHBondContact O-NZ 3.06Å
200	V	96.9	Very high	95.6	Very high	20 Å²	20	50.2 Å²	50.2	12%	0.121	25%	0.247	C	C	.	.	S	Bend	trans	-71.4	-19.2	177.7	-63.4	0	0	0	0	112.7	K168 V169 L170 E198 I219 P221	K168-V200 HydrophobicContact CB-CG1 3.77Å; V169-V200 WeakPolarHBondContact O-CG2 3.41Å; V169-V200 PolarHBondContact O-N 2.95Å; L170-V200 HydrophobicContact CB-CG2 3.89Å; L170-V200 HydrophobicContact CD1-CG2 4.04Å; E198-V200 PolarHBondContact O-N 2.86Å; V200-I219 HydrophobicContact CB-CB 3.94Å; V200-I219 HydrophobicContact CB-CD1 4.31Å; V200-I219 HydrophobicContact CB-CG2 3.86Å; V200-I219 HydrophobicContact CG2-CB 4.02Å; V200-I219 HydrophobicContact CG2-CD1 3.41Å; V200-I219 VanDerWaalsContact CG2-CD1 3.41Å; V200-I219 HydrophobicContact CG2-CG1 4.26Å; V200-I219 HydrophobicContact CG2-CG2 4.09Å; V200-P221 HydrophobicContact CG1-CB 4.08Å
201	I	95.5	Very high	94.8	Very high	17 Å²	17	50.9 Å²	50.9	9%	0.087	25%	0.254	C	S	.	.			trans	-88.7	123.8	175.7	-55.4	-59.1	0	0	0	109.7	L170 V181 T183 N199 V203 I209 L216 I219	L170-I201 HydrophobicContact CD1-CD1 4.35Å; L170-I201 HydrophobicContact CD1-CG1 4.27Å; V181-I201 HydrophobicContact CG1-CD1 3.98Å; V181-I201 HydrophobicContact CG1-CG1 3.54Å; T183-I201 HydrophobicContact CG2-CG2 4.22Å; N199-I201 PolarHBondContact O-N 2.79Å; N199-I201 PolarHBondContact OD1-N 2.73Å; I201-V203 HydrophobicContact CG2-CB 4.31Å; I201-I209 HydrophobicContact CG2-CD1 3.8Å; I201-L216 HydrophobicContact CD1-CD2 4.16Å; I201-I219 HydrophobicContact CD1-CD1 4.45Å
202	K	93	Very high	93.8	Very high	133 Å²	133	54.7 Å²	54.7	58%	0.578	27%	0.274	S	S	*	.			trans	-106.3	-3.2	-175.5	-54.5	-54.5	-174.3	-174.5	0	114.3	N199 K204	N199-K202 VanDerWaalsContact O-CE 3.29Å; N199-K202 WeakPolarHBondContact O-CE 3.32Å; N199-K202 PolarHBondContact O-NZ 3.06Å; K202-K204 WeakPolarHBondContact O-CG 3.42Å
203	V	89.8	Confident	92.2	Very high	70 Å²	70	55.8 Å²	55.8	42%	0.424	28%	0.281	S	S	.	.			trans	-65.4	135.9	169.8	178	0	0	0	0	108.8	T183 I201 D205 I209	T183-V203 VanDerWaalsContact CB-O 3.27Å; T183-V203 WeakPolarHBondContact CB-O 3.19Å; T183-V203 WeakPolarHBondContact CG2-O 3.49Å; I201-V203 HydrophobicContact CG2-CB 4.31Å; V203-D205 WeakPolarHBondContact CG1-OD1 3.37Å; V203-I209 HydrophobicContact CG1-CG2 4.2Å
204	K	87.8	Confident	90.6	Very high	131 Å²	131	56 Å²	56	57%	0.57	28%	0.284	S	S	*	.			trans	-134.9	4.7	-170.9	-69.1	-179.1	-178.2	-172.6	0	115	D184 K185 K202	D184-K204 HydrophobicContact CB-CG 4.5Å; D184-K204 WeakPolarHBondContact OD2-CE 3.47Å; D184-K204 IonicContact OD2-NZ 3.73Å; K185-K204 WeakPolarHBondContact CD-O 3.48Å; K202-K204 WeakPolarHBondContact O-CG 3.42Å
205	D	91.7	Very high	89.6	Confident	87 Å²	87	60.6 Å²	60.6	47%	0.465	31%	0.309	S	S	.	.	S	Bend	trans	-77.5	-29.6	-176.6	67	-34.2	0	0	0	112.9	K185 V203	K185-D205 WeakPolarHBondContact CD-O 3.3Å; K185-D205 PolarHBondContact NZ-O 2.99Å; V203-D205 WeakPolarHBondContact CG1-OD1 3.37Å
206	R	92.4	Very high	89	Confident	132 Å²	132	61 Å²	61	50%	0.498	31%	0.311	S	S	.	.	S	Bend	trans	-136.6	156.3	-178.5	67.7	-167.6	78.9	-173.8	-5.4	112.7	T183 Y208 I209	T183-R206 WeakPolarHBondContact CB-O 3.4Å; T183-R206 VanDerWaalsContact CG2-O 3.24Å; T183-R206 WeakPolarHBondContact CG2-O 3.31Å; T183-R206 PolarHBondContact OG1-O 3.15Å; R206-Y208 WeakPolarHBondContact CD-O 3.28Å; R206-Y208 WeakPolarHBondContact CG-O 3.47Å; R206-I209 HydrophobicContact CG-CG2 3.64Å
207	Q	95.3	Very high	88.3	Confident	25 Å²	25	65 Å²	65	12%	0.117	33%	0.329	C	S	.	.	S	Bend	trans	-66.9	-40.9	-176.8	-64.5	90	-55.4	0	0	112	D120 T183 K185 S186	D120-Q207 HydrophobicContact CB-CG 4.2Å; D120-Q207 PolarHBondContact OD1-NE2 2.76Å; D120-Q207 PolarHBondContact OD2-NE2 2.89Å; T183-Q207 PolarHBondContact N-O 3.02Å; T183-Q207 PolarHBondContact OG1-O 3.23Å; K185-Q207 HydrophobicContact CG-CG 4.32Å; S186-Q207 WeakPolarHBondContact CB-O 3.26Å
208	Y	95.6	Very high	87.7	Confident	34 Å²	34	71.4 Å²	71.4	13%	0.133	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	135.5	-177.2	-57.9	-75.7	0	0	0	110.8	M173 L180 V181 A182 R206 I270	M173-Y208 HydrophobicContact CB-CD1 3.85Å; M173-Y208 HydrophobicContact CB-CE1 3.7Å; M173-Y208 HydrophobicContact CE-CE1 4.01Å; M173-Y208 HydrophobicContact CG-CD1 4.15Å; M173-Y208 HydrophobicContact CG-CE1 3.79Å; L180-Y208 HydrophobicContact CD1-CG 4.31Å; V181-Y208 WeakPolarHBondContact O-CA 3.33Å; A182-Y208 HydrophobicContact CB-CD1 3.82Å; A182-Y208 HydrophobicContact CB-CE1 3.62Å; R206-Y208 WeakPolarHBondContact CD-O 3.28Å; R206-Y208 WeakPolarHBondContact CG-O 3.47Å; Y208-I270 HydrophobicContact CE2-CD1 4.17Å; Y208-I270 HydrophobicContact CE2-CG1 3.66Å; Y208-I270 WeakPolarHBondContact OH-CG1 3.46Å; Y208-I270 PolarHBondContact OH-O 2.95Å
209	I	93.9	Very high	87.4	Confident	36 Å²	36	68.6 Å²	68.6	19%	0.185	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	151.8	175.7	63.7	177	0	0	0	109.8	L180 V181 T183 I201 V203 R206	L180-I209 WeakPolarHBondContact CA-O 3.44Å; V181-I209 HydrophobicContact CB-CD1 4.35Å; V181-I209 HydrophobicContact CB-CG1 3.79Å; V181-I209 PolarHBondContact N-O 3.14Å; V181-I209 PolarHBondContact O-N 2.97Å; T183-I209 HydrophobicContact CG2-CG2 4.06Å; I201-I209 HydrophobicContact CG2-CD1 3.8Å; V203-I209 HydrophobicContact CG1-CG2 4.2Å; R206-I209 HydrophobicContact CG-CG2 3.64Å
210	S	90.7	Very high	87.3	Confident	92 Å²	92	72.7 Å²	72.7	64%	0.643	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.8	140.7	173.1	54	0	0	0	0	110.6	N212	S210-N212 PolarHBondContact O-N 3.39Å
211	S	80.5	Confident	87.3	Confident	37 Å²	37	71.8 Å²	71.8	26%	0.259	37%	0.366	S	S	.	.			trans	-70	100.6	167.2	45.6	0	0	0	0	109	Y179	Y179-S211 WeakPolarHBondContact O-CB 3.25Å; Y179-S211 PolarHBondContact O-OG 2.81Å
212	N	78.3	Confident	87.4	Confident	81 Å²	81	73.5 Å²	73.5	43%	0.433	38%	0.375	S	S	.	.			trans	-95.3	93.8	154.3	-175	-8.5	0	0	0	106.6	S210 E214 N215	S210-N212 PolarHBondContact O-N 3.39Å; N212-E214 PolarHBondContact O-N 2.91Å; N212-E214 VanDerWaalsContact O-N 3.16Å; N212-E214 PolarHBondContact OD1-N 3.48Å; N212-N215 PolarHBondContact ND2-ND2 3.49Å; N212-N215 WeakPolarHBondContact O-CB 3.36Å; N212-N215 PolarHBondContact O-N 3.18Å
213	T	65.7	Low	87.7	Confident	23 Å²	23	67.7 Å²	67.7	14%	0.141	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-60	-29.2	-168.4	-45.9	0	0	0	0	112.8	Y179 N215 L216 I248 W249	Y179-T213 PolarHBondContact OH-OG1 3.45Å; T213-N215 VanDerWaalsContact C-N 3.3Å; T213-N215 PolarHBondContact O-N 2.93Å; T213-L216 HydrophobicContact CG2-CD1 4.32Å; T213-L216 VanDerWaalsContact O-CB 3.26Å; T213-L216 WeakPolarHBondContact O-CB 3.49Å; T213-L216 PolarHBondContact O-N 3.3Å; T213-I248 HydrophobicContact CG2-CD1 3.08Å; T213-I248 HydrophobicContact CG2-CG1 3.39Å; T213-W249 HydrophobicContact CG2-CZ2 4.29Å
214	E	66.1	Low	88.1	Confident	142 Å²	142	64.3 Å²	64.3	66%	0.664	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-63.9	-35.9	175.5	-64.9	-176.5	174.8	0	0	112.1	N212 L216 L217	N212-E214 PolarHBondContact O-N 2.91Å; N212-E214 VanDerWaalsContact O-N 3.16Å; N212-E214 PolarHBondContact OD1-N 3.48Å; E214-L216 PolarHBondContact O-N 2.91Å; E214-L217 VanDerWaalsContact O-CB 3.3Å; E214-L217 WeakPolarHBondContact O-CB 3.36Å; E214-L217 WeakPolarHBondContact O-CG 3.48Å; E214-L217 PolarHBondContact O-N 3.41Å; E214-L217 VanDerWaalsContact O-N 3.07Å
215	N	76.8	Confident	88.6	Confident	100 Å²	100	58.1 Å²	58.1	54%	0.535	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-68.2	-20.8	175.1	-70	-23.1	0	0	0	112.3	N212 T213 L217 N218	N212-N215 PolarHBondContact ND2-ND2 3.49Å; N212-N215 WeakPolarHBondContact O-CB 3.36Å; N212-N215 PolarHBondContact O-N 3.18Å; T213-N215 VanDerWaalsContact C-N 3.3Å; T213-N215 PolarHBondContact O-N 2.93Å; N215-L217 PolarHBondContact O-N 2.83Å; N215-N218 PolarHBondContact O-N 2.96Å
216	L	86.6	Confident	88.9	Confident	7 Å²	7	55 Å²	55	4%	0.037	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-72.9	-12.9	174.5	-54	179.5	0	0	0	112.1	L170 V181 I201 T213 E214 N218 I219 W249 F252	L170-L216 HydrophobicContact CD1-CD2 4.19Å; L170-L216 HydrophobicContact CD2-CD1 4.46Å; V181-L216 HydrophobicContact CG2-CD2 4.32Å; I201-L216 HydrophobicContact CD1-CD2 4.16Å; T213-L216 HydrophobicContact CG2-CD1 4.32Å; T213-L216 VanDerWaalsContact O-CB 3.26Å; T213-L216 WeakPolarHBondContact O-CB 3.49Å; T213-L216 PolarHBondContact O-N 3.3Å; E214-L216 PolarHBondContact O-N 2.91Å; L216-N218 PolarHBondContact O-N 3.46Å; L216-I219 HydrophobicContact CB-CD1 4.15Å; L216-I219 HydrophobicContact CB-CG1 4.33Å; L216-I219 HydrophobicContact CD2-CD1 3.88Å; L216-I219 WeakPolarHBondContact O-CG1 3.38Å; L216-I219 PolarHBondContact O-N 3.44Å; L216-W249 HydrophobicContact CD1-CH2 3.86Å; L216-F252 HydrophobicContact CB-CZ 4.06Å; L216-F252 VanDerWaalsContact O-CZ 3.22Å; L216-F252 WeakPolarHBondContact O-CZ 3.3Å
217	L	82.4	Confident	89.2	Confident	95 Å²	95	48.7 Å²	48.7	50%	0.497	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-66.2	-21.5	174.8	-68	166	0	0	0	112.7	E214 N215 I219 I248	E214-L217 VanDerWaalsContact O-CB 3.3Å; E214-L217 WeakPolarHBondContact O-CB 3.36Å; E214-L217 WeakPolarHBondContact O-CG 3.48Å; E214-L217 PolarHBondContact O-N 3.41Å; E214-L217 VanDerWaalsContact O-N 3.07Å; N215-L217 PolarHBondContact O-N 2.83Å; L217-I219 VanDerWaalsContact C-N 3.3Å; L217-I219 PolarHBondContact O-N 3.38Å; L217-I248 HydrophobicContact CD1-CG2 4.45Å; L217-I248 HydrophobicContact CD2-CB 4.07Å; L217-I248 HydrophobicContact CD2-CG2 4.07Å; L217-I248 HydrophobicContact CG-CG2 4.45Å
218	N	86.4	Confident	89.4	Confident	142 Å²	142	47.7 Å²	47.7	76%	0.759	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-83.3	-2.5	-179.1	-65.8	-39	0	0	0	114	N215 L216	N215-N218 PolarHBondContact O-N 2.96Å; L216-N218 PolarHBondContact O-N 3.46Å
219	I	93.3	Very high	89.4	Confident	32 Å²	32	47.7 Å²	47.7	16%	0.164	26%	0.258	C	S	.	.			trans	-110.9	150.7	179.1	53.6	163.5	0	0	0	110.6	L170 V200 I201 L216 L217 F252	L170-I219 HydrophobicContact CB-CD1 4.38Å; L170-I219 HydrophobicContact CD1-CD1 3.74Å; L170-I219 HydrophobicContact CD2-CD1 3.95Å; L170-I219 HydrophobicContact CG-CD1 4.24Å; V200-I219 HydrophobicContact CB-CB 3.94Å; V200-I219 HydrophobicContact CB-CD1 4.31Å; V200-I219 HydrophobicContact CB-CG2 3.86Å; V200-I219 HydrophobicContact CG2-CB 4.02Å; V200-I219 HydrophobicContact CG2-CD1 3.41Å; V200-I219 VanDerWaalsContact CG2-CD1 3.41Å; V200-I219 HydrophobicContact CG2-CG1 4.26Å; V200-I219 HydrophobicContact CG2-CG2 4.09Å; I201-I219 HydrophobicContact CD1-CD1 4.45Å; L216-I219 HydrophobicContact CB-CD1 4.15Å; L216-I219 HydrophobicContact CB-CG1 4.33Å; L216-I219 HydrophobicContact CD2-CD1 3.88Å; L216-I219 WeakPolarHBondContact O-CG1 3.38Å; L216-I219 PolarHBondContact O-N 3.44Å; L217-I219 VanDerWaalsContact C-N 3.3Å; L217-I219 PolarHBondContact O-N 3.38Å; I219-F252 HydrophobicContact CD1-CE1 4.36Å; I219-F252 HydrophobicContact CG1-CE1 4.21Å
220	N	94.6	Very high	89.3	Confident	91 Å²	91	47.4 Å²	47.4	49%	0.487	26%	0.263	S	S	.	.			trans	-129.8	69.5	179.6	-169.5	17.9	0	0	0	110.9	K253	N220-K253 WeakPolarHBondContact O-CE 3.3Å; N220-K253 PolarHBondContact O-NZ 3.32Å; N220-K253 VanDerWaalsContact O-NZ 3.13Å; N220-K253 WeakPolarHBondContact OD1-CD 3.42Å; N220-K253 WeakPolarHBondContact OD1-CE 3.34Å; N220-K253 VanDerWaalsContact OD1-CG 3.32Å; N220-K253 WeakPolarHBondContact OD1-CG 3.49Å
221	P	97.4	Very high	89.5	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.256	C	S	.	.			trans	-66.9	140.7	-179.6	29.7	-36.1	0	0	0	111.6	K168 L170 V200 I223 I224 F252 K253	K168-P221 CarbonylContact O-C 3.51Å; K168-P221 WeakPolarHBondContact O-CA 3.41Å; L170-P221 HydrophobicContact CB-CB 3.88Å; L170-P221 HydrophobicContact CB-CG 3.9Å; V200-P221 HydrophobicContact CG1-CB 4.08Å; P221-I223 WeakPolarHBondContact CB-O 3.31Å; P221-I224 HydrophobicContact CG-CG1 4.06Å; P221-F252 HydrophobicContact CG-CD1 3.64Å; P221-F252 HydrophobicContact CG-CE1 3.88Å; P221-K253 WeakPolarHBondContact O-CE 3.46Å; P221-K253 VanDerWaalsContact O-CG 3.29Å; P221-K253 WeakPolarHBondContact O-CG 3.48Å
222	D	97.8	Very high	90.1	Very high	54 Å²	54	47.3 Å²	47.3	29%	0.289	25%	0.252	S	S	.	.	S	Bend	trans	-75.4	-29.8	168	-60.5	-66.7	0	0	0	111.6	P167 K168 K253 H259	P167-D222 HydrophobicContact CB-CB 4.22Å; K168-D222 WeakPolarHBondContact CB-OD2 3.34Å; K168-D222 PolarHBondContact N-OD2 3.03Å; K168-D222 PolarHBondContact O-N 3.13Å; D222-K253 VanDerWaalsContact CG-NZ 3.35Å; D222-K253 VanDerWaalsContact OD1-CE 3.23Å; D222-K253 WeakPolarHBondContact OD1-CE 3.41Å; D222-K253 IonicContact OD1-NZ 2.63Å; D222-K253 PolarHBondContact OD1-NZ 2.94Å; D222-K253 IonicContact OD2-NZ 3.73Å; D222-H259 VanDerWaalsContact O-CB 3.26Å; D222-H259 WeakPolarHBondContact O-CB 3.39Å; D222-H259 PolarHBondContact O-ND1 3.35Å
223	I	98.5	Very high	90.9	Very high	10 Å²	10	49.4 Å²	49.4	5%	0.051	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	137.8	-178.2	-62.6	177.8	0	0	0	109.8	P167 K168 V169 L170 P221 L225 H259 Y261 L286 F287	P167-I223 HydrophobicContact CB-CD1 3.77Å; P167-I223 HydrophobicContact CB-CG1 4.21Å; P167-I223 HydrophobicContact CG-CD1 4.09Å; K168-I223 PolarHBondContact O-N 3.34Å; K168-I223 VanDerWaalsContact O-N 3.09Å; V169-I223 WeakPolarHBondContact CA-O 3.4Å; V169-I223 HydrophobicContact CG2-CB 4.49Å; L170-I223 PolarHBondContact N-O 3.36Å; P221-I223 WeakPolarHBondContact CB-O 3.31Å; I223-L225 HydrophobicContact CG2-CD2 3.72Å; I223-L225 HydrophobicContact CG2-CG 4.15Å; I223-H259 WeakPolarHBondContact CA-O 3.37Å; I223-H259 HydrophobicContact CG1-CB 4.35Å; I223-Y261 HydrophobicContact CG1-CE2 4.43Å; I223-Y261 HydrophobicContact CG2-CD2 3.69Å; I223-Y261 HydrophobicContact CG2-CE2 3.83Å; I223-L286 HydrophobicContact CD1-CD2 4.36Å; I223-F287 HydrophobicContact CD1-CD1 3.61Å; I223-F287 HydrophobicContact CD1-CE1 4.02Å; I223-F287 HydrophobicContact CD1-CG 4.48Å; I223-F287 HydrophobicContact CG2-CE1 4.48Å
224	I	98.2	Very high	92.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.9	166.9	-58.8	171.5	0	0	0	108.5	L170 L172 P221 R226 F243 W249 F252 A254 V255 H259 V260 Y261	L170-I224 HydrophobicContact CB-CG1 4.22Å; L170-I224 HydrophobicContact CD2-CD1 4.45Å; L170-I224 HydrophobicContact CD2-CG1 4.27Å; L170-I224 HydrophobicContact CD2-CG2 4.4Å; L170-I224 WeakPolarHBondContact O-CA 3.49Å; L172-I224 HydrophobicContact CD1-CG2 4.16Å; L172-I224 HydrophobicContact CG-CG2 4.33Å; P221-I224 HydrophobicContact CG-CG1 4.06Å; I224-R226 HydrophobicContact CG2-CG 4.32Å; I224-F243 HydrophobicContact CD1-CE1 4.3Å; I224-F243 HydrophobicContact CG2-CZ 4.12Å; I224-W249 HydrophobicContact CD1-CE3 4.27Å; I224-W249 HydrophobicContact CD1-CZ3 4.19Å; I224-F252 HydrophobicContact CD1-CB 4.36Å; I224-F252 HydrophobicContact CD1-CD1 4.2Å; I224-F252 HydrophobicContact CD1-CG 4.34Å; I224-A254 HydrophobicContact CD1-CB 3.97Å; I224-A254 HydrophobicContact CG1-CB 3.75Å; I224-V255 HydrophobicContact CD1-CG2 4.05Å; I224-H259 PolarHBondContact N-O 2.9Å; I224-V260 HydrophobicContact CB-CG1 4.38Å; I224-V260 HydrophobicContact CB-CG2 4.31Å; I224-V260 HydrophobicContact CD1-CG2 4.38Å; I224-V260 HydrophobicContact CG2-CG1 4.45Å; I224-V260 WeakPolarHBondContact O-CA 3.48Å; I224-Y261 PolarHBondContact O-N 2.82Å
225	L	98.7	Very high	93.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	132.7	173.3	-57.2	178.1	0	0	0	109.3	V169 L170 L172 V192 I223 L227 Y261 L263 L283 L286 F287	V169-L225 HydrophobicContact CG1-CD1 3.67Å; V169-L225 HydrophobicContact CG1-CG 3.79Å; L170-L225 PolarHBondContact O-N 3.22Å; L172-L225 PolarHBondContact N-O 3.46Å; V192-L225 HydrophobicContact CG2-CD1 3.85Å; I223-L225 HydrophobicContact CG2-CD2 3.72Å; I223-L225 HydrophobicContact CG2-CG 4.15Å; L225-L227 HydrophobicContact CB-CD1 4.04Å; L225-Y261 HydrophobicContact CD2-CD2 4.21Å; L225-L263 HydrophobicContact CB-CD1 4.36Å; L225-L263 HydrophobicContact CD1-CD1 4.28Å; L225-L263 HydrophobicContact CD2-CD1 4.32Å; L225-L263 HydrophobicContact CD2-CD2 4.4Å; L225-L263 HydrophobicContact CD2-CG 4.48Å; L225-L283 HydrophobicContact CD1-CD1 3.84Å; L225-L286 HydrophobicContact CD2-CD2 4.29Å; L225-F287 HydrophobicContact CD1-CE1 4.26Å; L225-F287 HydrophobicContact CD1-CZ 4.25Å
226	R	98.6	Very high	94.8	Very high	21 Å²	21	42.6 Å²	42.6	8%	0.079	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	121.3	175.6	-57.1	-169.7	-58.3	-162.7	-0.8	109	L172 I224 F239 F243 V260 Y261 D262 L263	L172-R226 HydrophobicContact CD1-CG 4.39Å; I224-R226 HydrophobicContact CG2-CG 4.32Å; R226-F239 HydrophobicContact CB-CD2 4.05Å; R226-F239 HydrophobicContact CB-CE2 3.96Å; R226-F239 HydrophobicContact CB-CG 4.42Å; R226-F239 HydrophobicContact CB-CZ 4.26Å; R226-F239 HydrophobicContact CG-CD1 4.47Å; R226-F243 HydrophobicContact CG-CZ 4.44Å; R226-F243 VanDerWaalsContact NH1-CG 3.32Å; R226-V260 HydrophobicContact CG-CG1 4.26Å; R226-Y261 PolarHBondContact N-O 3.32Å; R226-D262 WeakPolarHBondContact CB-OD1 3.46Å; R226-D262 IonicContact CZ-OD1 3.19Å; R226-D262 IonicContact CZ-OD2 3.71Å; R226-D262 IonicContact NE-OD1 2.71Å; R226-D262 PolarHBondContact NE-OD1 3.37Å; R226-D262 IonicContact NE-OD2 3.92Å; R226-D262 IonicContact NH2-OD1 2.69Å; R226-D262 PolarHBondContact NH2-OD1 2.97Å; R226-D262 IonicContact NH2-OD2 2.71Å; R226-D262 PolarHBondContact NH2-OD2 2.9Å; R226-D262 WeakPolarHBondContact O-CA 3.45Å; R226-L263 PolarHBondContact O-N 2.97Å
227	L	98.6	Very high	95.3	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.1	-176.7	-67.1	85.3	0	0	0	109	I171 L172 M173 G174 I188 L225 L263 F268	I171-L227 HydrophobicContact CG2-CD1 3.64Å; L172-L227 PolarHBondContact O-N 3.19Å; M173-L227 HydrophobicContact CE-CB 3.75Å; M173-L227 HydrophobicContact CE-CD2 3.97Å; M173-L227 HydrophobicContact CE-CG 4.43Å; M173-L227 HydrophobicContact SD-CB 3.93Å; G174-L227 PolarHBondContact N-O 2.95Å; I188-L227 HydrophobicContact CB-CD2 3.93Å; I188-L227 HydrophobicContact CD1-CD1 4.48Å; I188-L227 HydrophobicContact CD1-CD2 3.77Å; I188-L227 HydrophobicContact CG1-CD1 3.98Å; I188-L227 HydrophobicContact CG1-CD2 3.57Å; I188-L227 HydrophobicContact CG1-CG 4.47Å; I188-L227 HydrophobicContact CG2-CD2 4.38Å; L225-L227 HydrophobicContact CB-CD1 4.04Å; L227-L263 HydrophobicContact CD1-CD1 4.2Å; L227-L263 HydrophobicContact CD2-CD1 4.37Å; L227-L263 HydrophobicContact CG-CB 4.23Å; L227-L263 HydrophobicContact CG-CD1 4.14Å; L227-F268 HydrophobicContact CD2-CB 3.82Å; L227-F268 WeakPolarHBondContact CD2-O 3.43Å
228	P	98	Very high	95.9	Very high	4 Å²	4	46.2 Å²	46.2	3%	0.026	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	144.8	174.2	30.5	-29.3	0	0	0	112.4	P232 V235 L263 E265	P228-P232 HydrophobicContact CB-CB 3.92Å; P228-P232 HydrophobicContact CG-CB 4.18Å; P228-V235 HydrophobicContact CB-CB 4.06Å; P228-V235 HydrophobicContact CB-CG1 3.89Å; P228-L263 WeakPolarHBondContact CD-O 3.41Å; P228-E265 HydrophobicContact CG-CB 4.34Å; P228-E265 WeakPolarHBondContact O-CG 3.35Å
229	H	95.6	Very high	96.5	Very high	35 Å²	35	39.5 Å²	39.5	16%	0.162	20%	0.199	C	C	.	.			trans	-138.1	146.5	171.3	-175.8	53.7	0	0	0	112.4	M173 G174 V175 M231 E265	M173-H229 HydrophobicContact SD-CB 3.9Å; G174-H229 WeakPolarHBondContact O-CB 3.2Å; G174-H229 PolarHBondContact O-N 3.22Å; V175-H229 HydrophobicContact CG1-CB 4.38Å; H229-M231 VanDerWaalsContact C-N 3.28Å; H229-M231 PolarHBondContact O-N 2.89Å; H229-E265 IonicContact CE1-OE1 2.95Å; H229-E265 IonicContact ND1-OE1 3.98Å; H229-E265 PolarHBondContact ND1-OE1 3.15Å; H229-E265 VanDerWaalsContact ND1-OE1 3.14Å
230	G	93.4	Very high	96.6	Very high	29 Å²	29	42.8 Å²	42.8	30%	0.299	21%	0.213	S	C	.	.	S	Bend	trans	79.1	-70.5	175.8	0	0	0	0	0	112.1	Y61 P232	Y61-G230 WeakPolarHBondContact CE1-O 3.38Å; Y61-G230 PolarHBondContact OH-O 3.43Å; G230-P232 WeakPolarHBondContact O-CD 3.32Å
231	M	93.4	Very high	96.7	Very high	100 Å²	100	44.4 Å²	44.4	49%	0.493	22%	0.216	S	C	.	.	S	Bend	trans	-123.8	81	-178.6	-62.2	179.1	72.4	0	0	110.8	P176 H229 E233 E234 V235	P176-M231 HydrophobicContact CB-SD 4.35Å; P176-M231 HydrophobicContact CG-CB 4.16Å; P176-M231 HydrophobicContact CG-CG 3.97Å; P176-M231 HydrophobicContact CG-SD 4.05Å; H229-M231 VanDerWaalsContact C-N 3.28Å; H229-M231 PolarHBondContact O-N 2.89Å; M231-E233 PolarHBondContact O-N 3.43Å; M231-E234 HydrophobicContact CB-CB 4Å; M231-E234 WeakPolarHBondContact CE-OE2 3.47Å; M231-E234 PolarHBondContact O-N 2.97Å; M231-E234 VanDerWaalsContact O-N 3.12Å; M231-V235 WeakPolarHBondContact O-CG2 3.3Å; M231-V235 PolarHBondContact O-N 2.84Å
232	P	94.2	Very high	96.6	Very high	28 Å²	28	46.3 Å²	46.3	18%	0.182	23%	0.225	C	C	.	.	H	α-helix	trans	-58.9	-39	-166.1	-27.8	35.7	0	0	0	115.5	Y61 P228 G230 V235 K236	Y61-P232 HydrophobicContact CE2-CG 4.34Å; Y61-P232 WeakPolarHBondContact OH-CD 2.98Å; P228-P232 HydrophobicContact CB-CB 3.92Å; P228-P232 HydrophobicContact CG-CB 4.18Å; G230-P232 WeakPolarHBondContact O-CD 3.32Å; P232-V235 PolarHBondContact O-N 3.37Å; P232-K236 WeakPolarHBondContact O-CB 3.47Å; P232-K236 WeakPolarHBondContact O-CG 3.36Å; P232-K236 PolarHBondContact O-N 3.2Å
233	E	94.9	Very high	96.5	Very high	125 Å²	125	45.3 Å²	45.3	58%	0.584	22%	0.218	S	C	*	.	H	α-helix	trans	-67.5	-39.1	178.6	-65.3	-52.9	127.2	0	0	112.7	M231 K237	M231-E233 PolarHBondContact O-N 3.43Å; E233-K237 WeakPolarHBondContact O-CG 3.47Å; E233-K237 PolarHBondContact O-N 3.5Å
234	E	96.6	Very high	96.3	Very high	85 Å²	85	53.2 Å²	53.2	40%	0.397	25%	0.252	S	S	.	.	H	α-helix	trans	-66.8	-45.2	174.9	-174	-177.3	145.1	0	0	110.6	M231 K236 K237 M238	M231-E234 HydrophobicContact CB-CB 4Å; M231-E234 WeakPolarHBondContact CE-OE2 3.47Å; M231-E234 PolarHBondContact O-N 2.97Å; M231-E234 VanDerWaalsContact O-N 3.12Å; E234-K236 PolarHBondContact O-N 3.05Å; E234-K237 PolarHBondContact O-N 3.02Å; E234-M238 WeakPolarHBondContact O-CB 3.4Å; E234-M238 PolarHBondContact O-N 3.44Å
235	V	97.1	Very high	96.1	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.006	28%	0.282	C	S	.	.	H	α-helix	trans	-64.2	-42.4	-179.9	172.9	0	0	0	0	111.9	P228 M231 P232 K237 M238 F239	P228-V235 HydrophobicContact CB-CB 4.06Å; P228-V235 HydrophobicContact CB-CG1 3.89Å; M231-V235 WeakPolarHBondContact O-CG2 3.3Å; M231-V235 PolarHBondContact O-N 2.84Å; P232-V235 PolarHBondContact O-N 3.37Å; V235-K237 VanDerWaalsContact C-N 3.34Å; V235-K237 PolarHBondContact O-N 3.45Å; V235-M238 HydrophobicContact CG1-CE 4.24Å; V235-M238 WeakPolarHBondContact O-CB 3.34Å; V235-M238 PolarHBondContact O-N 2.9Å; V235-F239 HydrophobicContact CG1-CD2 3.71Å; V235-F239 HydrophobicContact CG1-CE2 3.61Å; V235-F239 WeakPolarHBondContact O-CD2 3.4Å; V235-F239 PolarHBondContact O-N 2.92Å
236	K	96.3	Very high	95.8	Very high	36 Å²	36	61.8 Å²	61.8	16%	0.157	29%	0.294	C	S	.	.	H	α-helix	trans	-59.6	-43.9	174.7	-77.7	177.8	177	177.4	0	110.9	P232 E234 F239 Q240 E264	P232-K236 WeakPolarHBondContact O-CB 3.47Å; P232-K236 WeakPolarHBondContact O-CG 3.36Å; P232-K236 PolarHBondContact O-N 3.2Å; E234-K236 PolarHBondContact O-N 3.05Å; K236-F239 PolarHBondContact O-N 3.38Å; K236-Q240 VanDerWaalsContact O-CG 3.29Å; K236-Q240 WeakPolarHBondContact O-CG 3.22Å; K236-Q240 PolarHBondContact O-N 3.04Å; K236-E264 IonicContact NZ-OE1 3.14Å; K236-E264 PolarHBondContact NZ-OE1 3.42Å; K236-E264 IonicContact NZ-OE2 3.23Å; K236-E264 PolarHBondContact NZ-OE2 2.99Å
237	K	96.7	Very high	95.4	Very high	141 Å²	141	65.6 Å²	65.6	61%	0.613	32%	0.315	S	S	*	.	H	α-helix	trans	-64.7	-41	175.2	-71.8	173.5	-175.6	174.5	0	112.4	E233 E234 V235 Q240 K241	E233-K237 WeakPolarHBondContact O-CG 3.47Å; E233-K237 PolarHBondContact O-N 3.5Å; E234-K237 PolarHBondContact O-N 3.02Å; V235-K237 VanDerWaalsContact C-N 3.34Å; V235-K237 PolarHBondContact O-N 3.45Å; K237-Q240 PolarHBondContact O-N 3.28Å; K237-K241 PolarHBondContact O-N 3.35Å
238	M	96.8	Very high	95.1	Very high	36 Å²	36	66.7 Å²	66.7	18%	0.177	32%	0.321	C	S	.	.	H	α-helix	trans	-60.4	-47.6	175.3	179.3	-159.6	72.4	0	0	111	S178 Y179 E234 V235 Q240 K241 E242	S178-M238 PolarHBondContact N-SD 3.43Å; S178-M238 VanDerWaalsContact N-SD 3.36Å; S178-M238 VanDerWaalsContact O-CE 3.3Å; S178-M238 WeakPolarHBondContact O-CE 3.37Å; Y179-M238 HydrophobicContact CD1-CE 4.5Å; E234-M238 WeakPolarHBondContact O-CB 3.4Å; E234-M238 PolarHBondContact O-N 3.44Å; V235-M238 HydrophobicContact CG1-CE 4.24Å; V235-M238 WeakPolarHBondContact O-CB 3.34Å; V235-M238 PolarHBondContact O-N 2.9Å; M238-Q240 VanDerWaalsContact C-N 3.34Å; M238-Q240 PolarHBondContact O-N 3.46Å; M238-K241 PolarHBondContact O-N 3.48Å; M238-E242 WeakPolarHBondContact O-CB 3.48Å; M238-E242 PolarHBondContact O-N 3.02Å
239	F	97.2	Very high	95	Very high	2 Å²	2	66.5 Å²	66.5	1%	0.009	32%	0.32	C	S	.	.	H	α-helix	trans	-62.1	-39.3	175.5	-83.3	-51.5	0	0	0	112.9	L172 Y179 R226 V235 K236 K241 E242 F243	L172-F239 HydrophobicContact CB-CE1 3.85Å; L172-F239 HydrophobicContact CB-CZ 3.84Å; L172-F239 HydrophobicContact CD1-CE1 4.06Å; Y179-F239 HydrophobicContact CD1-CE1 4.31Å; Y179-F239 HydrophobicContact CD2-CE1 4.37Å; Y179-F239 AromaticContact CG-CE1 3.84Å; Y179-F239 HydrophobicContact CG-CE1 3.84Å; R226-F239 HydrophobicContact CB-CD2 4.05Å; R226-F239 HydrophobicContact CB-CE2 3.96Å; R226-F239 HydrophobicContact CB-CG 4.42Å; R226-F239 HydrophobicContact CB-CZ 4.26Å; R226-F239 HydrophobicContact CG-CD1 4.47Å; V235-F239 HydrophobicContact CG1-CD2 3.71Å; V235-F239 HydrophobicContact CG1-CE2 3.61Å; V235-F239 WeakPolarHBondContact O-CD2 3.4Å; V235-F239 PolarHBondContact O-N 2.92Å; K236-F239 PolarHBondContact O-N 3.38Å; F239-K241 VanDerWaalsContact C-N 3.33Å; F239-K241 PolarHBondContact O-N 3.47Å; F239-E242 PolarHBondContact O-N 3.23Å; F239-F243 HydrophobicContact CD1-CE2 4.29Å; F239-F243 WeakPolarHBondContact O-CB 3.24Å; F239-F243 WeakPolarHBondContact O-CD2 3.5Å; F239-F243 PolarHBondContact O-N 2.84Å
240	Q	95.7	Very high	94.9	Very high	100 Å²	100	69.7 Å²	69.7	47%	0.467	33%	0.333	S	S	.	.	H	α-helix	trans	-62	-41	174.6	-72.9	171.4	23.7	0	0	112	K236 K237 M238 K244	K236-Q240 VanDerWaalsContact O-CG 3.29Å; K236-Q240 WeakPolarHBondContact O-CG 3.22Å; K236-Q240 PolarHBondContact O-N 3.04Å; K237-Q240 PolarHBondContact O-N 3.28Å; M238-Q240 VanDerWaalsContact C-N 3.34Å; M238-Q240 PolarHBondContact O-N 3.46Å; Q240-K244 WeakPolarHBondContact O-CB 3.34Å; Q240-K244 VanDerWaalsContact O-CG 3.3Å; Q240-K244 WeakPolarHBondContact O-CG 3.33Å; Q240-K244 PolarHBondContact O-N 3.2Å
241	K	96.4	Very high	94.9	Very high	125 Å²	125	73.7 Å²	73.7	54%	0.543	34%	0.344	S	S	.	.	H	α-helix	trans	-66.1	-48.4	175.7	-176.8	-179.8	174.4	-175.9	0	111.1	K237 M238 F239 F243 K244 Q245	K237-K241 PolarHBondContact O-N 3.35Å; M238-K241 PolarHBondContact O-N 3.48Å; F239-K241 VanDerWaalsContact C-N 3.33Å; F239-K241 PolarHBondContact O-N 3.47Å; K241-F243 PolarHBondContact O-N 2.85Å; K241-K244 PolarHBondContact O-N 2.88Å; K241-K244 VanDerWaalsContact O-N 3.16Å; K241-Q245 HydrophobicContact CG-CG 4.15Å; K241-Q245 WeakPolarHBondContact O-CB 3.32Å; K241-Q245 WeakPolarHBondContact O-CG 3.33Å; K241-Q245 PolarHBondContact O-N 3.48Å
242	E	95.4	Very high	94.9	Very high	40 Å²	40	69.4 Å²	69.4	19%	0.187	32%	0.323	C	S	.	.	H	α-helix	trans	-56.7	-50.5	179.4	172.7	60.5	-167.2	0	0	112	Y179 M238 F239 K244 Q245 N246 W249	Y179-E242 HydrophobicContact CD1-CG 4.35Å; Y179-E242 HydrophobicContact CE1-CG 3.63Å; Y179-E242 PolarHBondContact OH-OE1 2.92Å; M238-E242 WeakPolarHBondContact O-CB 3.48Å; M238-E242 PolarHBondContact O-N 3.02Å; F239-E242 PolarHBondContact O-N 3.23Å; E242-K244 PolarHBondContact O-N 3.4Å; E242-Q245 PolarHBondContact O-N 2.85Å; E242-N246 WeakPolarHBondContact O-CB 3.34Å; E242-N246 PolarHBondContact O-N 3.47Å; E242-N246 WeakPolarHBondContact OE1-CB 3.4Å; E242-N246 PolarHBondContact OE1-ND2 3.43Å; E242-W249 PolarHBondContact OE1-NE1 2.91Å
243	F	95.8	Very high	95	Very high	33 Å²	33	70.7 Å²	70.7	15%	0.145	33%	0.325	C	S	.	.	H	α-helix	trans	-69	-15.5	-179	-85.2	-117	0	0	0	113.7	L172 I224 R226 F239 K241 W249 V255 V260	L172-F243 HydrophobicContact CD1-CE2 3.85Å; L172-F243 HydrophobicContact CD1-CZ 3.86Å; I224-F243 HydrophobicContact CD1-CE1 4.3Å; I224-F243 HydrophobicContact CG2-CZ 4.12Å; R226-F243 HydrophobicContact CG-CZ 4.44Å; R226-F243 VanDerWaalsContact NH1-CG 3.32Å; F239-F243 HydrophobicContact CD1-CE2 4.29Å; F239-F243 WeakPolarHBondContact O-CB 3.24Å; F239-F243 WeakPolarHBondContact O-CD2 3.5Å; F239-F243 PolarHBondContact O-N 2.84Å; K241-F243 PolarHBondContact O-N 2.85Å; F243-W249 HydrophobicContact CD1-CB 4.15Å; F243-W249 HydrophobicContact CD1-CD2 4.24Å; F243-W249 HydrophobicContact CD1-CE3 4.49Å; F243-W249 HydrophobicContact CD1-CG 4.1Å; F243-W249 HydrophobicContact CD2-CD2 4.22Å; F243-W249 HydrophobicContact CD2-CG 4.31Å; F243-W249 AromaticContact CE1-CD2 3.97Å; F243-W249 HydrophobicContact CE1-CD2 3.97Å; F243-W249 AromaticContact CE1-CE3 3.82Å; F243-W249 HydrophobicContact CE1-CE3 3.82Å; F243-W249 HydrophobicContact CE1-CG 4.31Å; F243-W249 HydrophobicContact CE1-CZ3 4.4Å; F243-W249 AromaticContact CE2-CD2 3.95Å; F243-W249 HydrophobicContact CE2-CD2 3.95Å; F243-W249 AromaticContact CE2-CE2 3.82Å; F243-W249 HydrophobicContact CE2-CE3 4.23Å; F243-W249 HydrophobicContact CE2-CG 4.49Å; F243-W249 HydrophobicContact CE2-CH2 4.29Å; F243-W249 AromaticContact CE2-CZ2 3.99Å; F243-W249 HydrophobicContact CE2-CZ2 3.99Å; F243-W249 HydrophobicContact CE2-CZ3 4.4Å; F243-W249 HydrophobicContact CG-CB 4.43Å; F243-W249 HydrophobicContact CG-CD2 4.36Å; F243-W249 HydrophobicContact CG-CG 4.1Å; F243-W249 AromaticContact CZ-CD2 3.81Å; F243-W249 HydrophobicContact CZ-CD2 3.81Å; F243-W249 AromaticContact CZ-CE3 3.65Å; F243-W249 HydrophobicContact CZ-CE3 3.65Å; F243-W249 HydrophobicContact CZ-CG 4.49Å; F243-W249 HydrophobicContact CZ-CH2 4.14Å; F243-W249 HydrophobicContact CZ-CZ2 4.25Å; F243-W249 AromaticContact CZ-CZ3 3.85Å; F243-W249 HydrophobicContact CZ-CZ3 3.85Å; F243-V255 HydrophobicContact CD1-CG2 4.21Å; F243-V255 HydrophobicContact CE1-CG2 4.04Å; F243-V260 HydrophobicContact CD1-CG1 4.38Å; F243-V260 HydrophobicContact CE1-CG1 3.83Å; F243-V260 HydrophobicContact CE1-CG2 4.16Å; F243-V260 HydrophobicContact CZ-CG1 4.34Å
244	K	94.2	Very high	95.1	Very high	177 Å²	177	64.7 Å²	64.7	77%	0.77	30%	0.297	S	S	*	.	H	α-helix	trans	-93.2	-36.9	174.1	-75.6	-179.7	178.8	-177.6	0	113.1	Q240 K241 E242	Q240-K244 WeakPolarHBondContact O-CB 3.34Å; Q240-K244 VanDerWaalsContact O-CG 3.3Å; Q240-K244 WeakPolarHBondContact O-CG 3.33Å; Q240-K244 PolarHBondContact O-N 3.2Å; K241-K244 PolarHBondContact O-N 2.88Å; K241-K244 VanDerWaalsContact O-N 3.16Å; E242-K244 PolarHBondContact O-N 3.4Å
245	Q	94.6	Very high	95.1	Very high	134 Å²	134	62.7 Å²	62.7	63%	0.626	29%	0.291	S	S	*	.	H	α-helix	trans	-93.4	-32.6	-171.7	-68.3	-171.8	-17.1	0	0	113.2	K241 E242 D247	K241-Q245 HydrophobicContact CG-CG 4.15Å; K241-Q245 WeakPolarHBondContact O-CB 3.32Å; K241-Q245 WeakPolarHBondContact O-CG 3.33Å; K241-Q245 PolarHBondContact O-N 3.48Å; E242-Q245 PolarHBondContact O-N 2.85Å; Q245-D247 PolarHBondContact O-N 3.07Å
246	N	92.3	Very high	95.1	Very high	46 Å²	46	68.8 Å²	68.8	25%	0.246	32%	0.317	C	S	.	.			trans	-89.9	110.7	-178.7	-170.9	-13.2	0	0	0	110.5	E242 I248 W249	E242-N246 WeakPolarHBondContact O-CB 3.34Å; E242-N246 PolarHBondContact O-N 3.47Å; E242-N246 WeakPolarHBondContact OE1-CB 3.4Å; E242-N246 PolarHBondContact OE1-ND2 3.43Å; N246-I248 PolarHBondContact O-N 3.18Å; N246-I248 VanDerWaalsContact O-N 3.1Å; N246-I248 WeakPolarHBondContact OD1-CG1 3.28Å; N246-I248 PolarHBondContact OD1-N 3.13Å; N246-W249 PolarHBondContact O-N 3.42Å
247	D	91.4	Very high	95.1	Very high	100 Å²	100	71.5 Å²	71.5	54%	0.535	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-60.4	-23.8	-170.7	-102.1	-6.1	0	0	0	114.2	Q245 W249 K250 H251	Q245-D247 PolarHBondContact O-N 3.07Å; D247-W249 PolarHBondContact O-N 2.95Å; D247-K250 VanDerWaalsContact O-CG 3.26Å; D247-K250 WeakPolarHBondContact O-CG 3.44Å; D247-K250 PolarHBondContact O-N 3.43Å; D247-K250 WeakPolarHBondContact OD1-CE 3.48Å; D247-K250 IonicContact OD1-NZ 2.72Å; D247-K250 PolarHBondContact OD1-NZ 2.94Å; D247-K250 IonicContact OD2-NZ 2.95Å; D247-K250 PolarHBondContact OD2-NZ 2.69Å; D247-H251 PolarHBondContact O-CD2 3.06Å
248	I	91.8	Very high	95.1	Very high	24 Å²	24	71.3 Å²	71.3	12%	0.123	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-58.9	-35.2	179.7	63.8	104.1	0	0	0	112.5	T213 L217 N246 K250 H251 F252	T213-I248 HydrophobicContact CG2-CD1 3.08Å; T213-I248 HydrophobicContact CG2-CG1 3.39Å; L217-I248 HydrophobicContact CD1-CG2 4.45Å; L217-I248 HydrophobicContact CD2-CB 4.07Å; L217-I248 HydrophobicContact CD2-CG2 4.07Å; L217-I248 HydrophobicContact CG-CG2 4.45Å; N246-I248 PolarHBondContact O-N 3.18Å; N246-I248 VanDerWaalsContact O-N 3.1Å; N246-I248 WeakPolarHBondContact OD1-CG1 3.28Å; N246-I248 PolarHBondContact OD1-N 3.13Å; I248-K250 VanDerWaalsContact C-N 3.35Å; I248-K250 PolarHBondContact O-N 3.34Å; I248-H251 WeakPolarHBondContact O-CB 3.46Å; I248-H251 PolarHBondContact O-N 2.96Å; I248-H251 VanDerWaalsContact O-N 3.17Å; I248-F252 HydrophobicContact CD1-CE2 3.79Å; I248-F252 VanDerWaalsContact O-CD2 3.3Å; I248-F252 WeakPolarHBondContact O-CD2 3.21Å
249	W	95.3	Very high	95.2	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-65.6	-36.5	-172.8	-64.3	114.1	0	0	0	112.4	L170 L172 Y179 T213 L216 I224 E242 F243 N246 D247 H251 F252 V255	L170-W249 HydrophobicContact CD2-CH2 4.31Å; L170-W249 HydrophobicContact CD2-CZ3 3.97Å; L172-W249 HydrophobicContact CD1-CH2 3.58Å; L172-W249 HydrophobicContact CD1-CZ2 4.09Å; L172-W249 HydrophobicContact CD1-CZ3 4.23Å; L172-W249 HydrophobicContact CD2-CH2 4.35Å; Y179-W249 HydrophobicContact CE2-CZ2 4.1Å; Y179-W249 AromaticContact CZ-CZ2 3.92Å; Y179-W249 WeakPolarHBondContact OH-CZ2 3.27Å; T213-W249 HydrophobicContact CG2-CZ2 4.29Å; L216-W249 HydrophobicContact CD1-CH2 3.86Å; I224-W249 HydrophobicContact CD1-CE3 4.27Å; I224-W249 HydrophobicContact CD1-CZ3 4.19Å; E242-W249 PolarHBondContact OE1-NE1 2.91Å; F243-W249 HydrophobicContact CD1-CB 4.15Å; F243-W249 HydrophobicContact CD1-CD2 4.24Å; F243-W249 HydrophobicContact CD1-CE3 4.49Å; F243-W249 HydrophobicContact CD1-CG 4.1Å; F243-W249 HydrophobicContact CD2-CD2 4.22Å; F243-W249 HydrophobicContact CD2-CG 4.31Å; F243-W249 AromaticContact CE1-CD2 3.97Å; F243-W249 HydrophobicContact CE1-CD2 3.97Å; F243-W249 AromaticContact CE1-CE3 3.82Å; F243-W249 HydrophobicContact CE1-CE3 3.82Å; F243-W249 HydrophobicContact CE1-CG 4.31Å; F243-W249 HydrophobicContact CE1-CZ3 4.4Å; F243-W249 AromaticContact CE2-CD2 3.95Å; F243-W249 HydrophobicContact CE2-CD2 3.95Å; F243-W249 AromaticContact CE2-CE2 3.82Å; F243-W249 HydrophobicContact CE2-CE3 4.23Å; F243-W249 HydrophobicContact CE2-CG 4.49Å; F243-W249 HydrophobicContact CE2-CH2 4.29Å; F243-W249 AromaticContact CE2-CZ2 3.99Å; F243-W249 HydrophobicContact CE2-CZ2 3.99Å; F243-W249 HydrophobicContact CE2-CZ3 4.4Å; F243-W249 HydrophobicContact CG-CB 4.43Å; F243-W249 HydrophobicContact CG-CD2 4.36Å; F243-W249 HydrophobicContact CG-CG 4.1Å; F243-W249 AromaticContact CZ-CD2 3.81Å; F243-W249 HydrophobicContact CZ-CD2 3.81Å; F243-W249 AromaticContact CZ-CE3 3.65Å; F243-W249 HydrophobicContact CZ-CE3 3.65Å; F243-W249 HydrophobicContact CZ-CG 4.49Å; F243-W249 HydrophobicContact CZ-CH2 4.14Å; F243-W249 HydrophobicContact CZ-CZ2 4.25Å; F243-W249 AromaticContact CZ-CZ3 3.85Å; F243-W249 HydrophobicContact CZ-CZ3 3.85Å; N246-W249 PolarHBondContact O-N 3.42Å; D247-W249 PolarHBondContact O-N 2.95Å; W249-H251 PolarHBondContact O-N 3.26Å; W249-F252 HydrophobicContact CE3-CD2 4.11Å; W249-F252 HydrophobicContact CE3-CE2 4.08Å; W249-F252 HydrophobicContact CZ3-CE2 4.32Å; W249-F252 HydrophobicContact CZ3-CZ 4.4Å; W249-F252 PolarHBondContact O-N 2.61Å; W249-F252 VanDerWaalsContact O-N 3.12Å; W249-V255 HydrophobicContact CB-CG2 4.47Å; W249-V255 WeakPolarHBondContact O-CB 3.37Å; W249-V255 VanDerWaalsContact O-CG2 3.23Å; W249-V255 WeakPolarHBondContact O-CG2 3.39Å
250	K	93.2	Very high	95.2	Very high	102 Å²	102	73.9 Å²	73.9	44%	0.443	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-63.5	-17.5	179.9	83	-158.7	169.3	-176.4	0	113	D247 I248 K256	D247-K250 VanDerWaalsContact O-CG 3.26Å; D247-K250 WeakPolarHBondContact O-CG 3.44Å; D247-K250 PolarHBondContact O-N 3.43Å; D247-K250 WeakPolarHBondContact OD1-CE 3.48Å; D247-K250 IonicContact OD1-NZ 2.72Å; D247-K250 PolarHBondContact OD1-NZ 2.94Å; D247-K250 IonicContact OD2-NZ 2.95Å; D247-K250 PolarHBondContact OD2-NZ 2.69Å; I248-K250 VanDerWaalsContact C-N 3.35Å; I248-K250 PolarHBondContact O-N 3.34Å; K250-K256 WeakPolarHBondContact O-CE 3.36Å
251	H	92.7	Very high	95.3	Very high	113 Å²	113	72.3 Å²	72.3	52%	0.523	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-84.4	-20.5	179.4	-63.3	-72.4	0	0	0	113.5	D247 I248 W249 K256	D247-H251 PolarHBondContact O-CD2 3.06Å; I248-H251 WeakPolarHBondContact O-CB 3.46Å; I248-H251 PolarHBondContact O-N 2.96Å; I248-H251 VanDerWaalsContact O-N 3.17Å; W249-H251 PolarHBondContact O-N 3.26Å; H251-K256 PolarHBondContact O-NZ 3.23Å
252	F	95.4	Very high	95.4	Very high	10 Å²	10	69.4 Å²	69.4	4%	0.044	33%	0.333	C	S	.	.			trans	-69	133.7	-179.9	-77.6	-102.1	0	0	0	112.2	L170 L216 I219 P221 I224 I248 W249 A254 V255 K256	L170-F252 HydrophobicContact CD2-CE1 4.48Å; L216-F252 HydrophobicContact CB-CZ 4.06Å; L216-F252 VanDerWaalsContact O-CZ 3.22Å; L216-F252 WeakPolarHBondContact O-CZ 3.3Å; I219-F252 HydrophobicContact CD1-CE1 4.36Å; I219-F252 HydrophobicContact CG1-CE1 4.21Å; P221-F252 HydrophobicContact CG-CD1 3.64Å; P221-F252 HydrophobicContact CG-CE1 3.88Å; I224-F252 HydrophobicContact CD1-CB 4.36Å; I224-F252 HydrophobicContact CD1-CD1 4.2Å; I224-F252 HydrophobicContact CD1-CG 4.34Å; I248-F252 HydrophobicContact CD1-CE2 3.79Å; I248-F252 VanDerWaalsContact O-CD2 3.3Å; I248-F252 WeakPolarHBondContact O-CD2 3.21Å; W249-F252 HydrophobicContact CE3-CD2 4.11Å; W249-F252 HydrophobicContact CE3-CE2 4.08Å; W249-F252 HydrophobicContact CZ3-CE2 4.32Å; W249-F252 HydrophobicContact CZ3-CZ 4.4Å; W249-F252 PolarHBondContact O-N 2.61Å; W249-F252 VanDerWaalsContact O-N 3.12Å; F252-A254 VanDerWaalsContact C-N 3.25Å; F252-A254 PolarHBondContact O-N 3.34Å; F252-V255 HydrophobicContact CB-CB 4.34Å; F252-V255 HydrophobicContact CB-CG2 3.98Å; F252-V255 PolarHBondContact O-N 3.3Å; F252-V255 VanDerWaalsContact O-N 3.15Å; F252-K256 WeakPolarHBondContact O-CG 3.24Å; F252-K256 PolarHBondContact O-N 3.48Å; F252-K256 VanDerWaalsContact O-N 3.11Å
253	K	95.9	Very high	95.5	Very high	54 Å²	54	68 Å²	68	24%	0.235	33%	0.327	C	S	.	.	H	α-helix	trans	-60.3	-35.5	174.4	70.2	179.1	171.8	177.9	0	112.4	N220 P221 D222 V255 K256 N257	N220-K253 WeakPolarHBondContact O-CE 3.3Å; N220-K253 PolarHBondContact O-NZ 3.32Å; N220-K253 VanDerWaalsContact O-NZ 3.13Å; N220-K253 WeakPolarHBondContact OD1-CD 3.42Å; N220-K253 WeakPolarHBondContact OD1-CE 3.34Å; N220-K253 VanDerWaalsContact OD1-CG 3.32Å; N220-K253 WeakPolarHBondContact OD1-CG 3.49Å; P221-K253 WeakPolarHBondContact O-CE 3.46Å; P221-K253 VanDerWaalsContact O-CG 3.29Å; P221-K253 WeakPolarHBondContact O-CG 3.48Å; D222-K253 VanDerWaalsContact CG-NZ 3.35Å; D222-K253 VanDerWaalsContact OD1-CE 3.23Å; D222-K253 WeakPolarHBondContact OD1-CE 3.41Å; D222-K253 IonicContact OD1-NZ 2.63Å; D222-K253 PolarHBondContact OD1-NZ 2.94Å; D222-K253 IonicContact OD2-NZ 3.73Å; K253-V255 VanDerWaalsContact C-N 3.29Å; K253-V255 PolarHBondContact O-N 3.42Å; K253-K256 PolarHBondContact O-N 2.81Å; K253-N257 VanDerWaalsContact O-CB 3.26Å; K253-N257 WeakPolarHBondContact O-CB 3.39Å; K253-N257 PolarHBondContact O-N 3.44Å; K253-N257 PolarHBondContact O-ND2 2.9Å
254	A	97.2	Very high	95.6	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-61.3	-38.6	177.4	0	0	0	0	0	111.8	I224 F252 N258 H259	I224-A254 HydrophobicContact CD1-CB 3.97Å; I224-A254 HydrophobicContact CG1-CB 3.75Å; F252-A254 VanDerWaalsContact C-N 3.25Å; F252-A254 PolarHBondContact O-N 3.34Å; A254-N258 PolarHBondContact O-N 3.21Å; A254-H259 HydrophobicContact CB-CB 4.42Å; A254-H259 WeakPolarHBondContact O-CA 3.32Å; A254-H259 PolarHBondContact O-N 2.92Å
255	V	96.8	Very high	95.7	Very high	42 Å²	42	63.7 Å²	63.7	26%	0.255	31%	0.31	S	S	.	.	H	α-helix	trans	-68.6	-47.4	175.5	177.2	0	0	0	0	110.4	I224 F243 W249 F252 K253 N257 N258 V260	I224-V255 HydrophobicContact CD1-CG2 4.05Å; F243-V255 HydrophobicContact CD1-CG2 4.21Å; F243-V255 HydrophobicContact CE1-CG2 4.04Å; W249-V255 HydrophobicContact CB-CG2 4.47Å; W249-V255 WeakPolarHBondContact O-CB 3.37Å; W249-V255 VanDerWaalsContact O-CG2 3.23Å; W249-V255 WeakPolarHBondContact O-CG2 3.39Å; F252-V255 HydrophobicContact CB-CB 4.34Å; F252-V255 HydrophobicContact CB-CG2 3.98Å; F252-V255 PolarHBondContact O-N 3.3Å; F252-V255 VanDerWaalsContact O-N 3.15Å; K253-V255 VanDerWaalsContact C-N 3.29Å; K253-V255 PolarHBondContact O-N 3.42Å; V255-N257 VanDerWaalsContact C-N 3.25Å; V255-N257 PolarHBondContact O-N 2.98Å; V255-N258 PolarHBondContact O-N 3.44Å; V255-V260 HydrophobicContact CB-CG2 4.39Å; V255-V260 HydrophobicContact CG2-CG2 3.78Å
256	K	96.4	Very high	95.8	Very high	130 Å²	130	61.3 Å²	61.3	57%	0.565	31%	0.305	S	S	*	.	H	α-helix	trans	-61.4	-32.1	178.8	-66.3	172.2	-177.3	170.3	0	113.4	K250 H251 F252 K253	K250-K256 WeakPolarHBondContact O-CE 3.36Å; H251-K256 PolarHBondContact O-NZ 3.23Å; F252-K256 WeakPolarHBondContact O-CG 3.24Å; F252-K256 PolarHBondContact O-N 3.48Å; F252-K256 VanDerWaalsContact O-N 3.11Å; K253-K256 PolarHBondContact O-N 2.81Å
257	N	96.9	Very high	96.1	Very high	92 Å²	92	59.6 Å²	59.6	49%	0.492	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	11.1	-178.4	-61.9	-15.4	0	0	0	113	K253 V255 H259	K253-N257 VanDerWaalsContact O-CB 3.26Å; K253-N257 WeakPolarHBondContact O-CB 3.39Å; K253-N257 PolarHBondContact O-N 3.44Å; K253-N257 PolarHBondContact O-ND2 2.9Å; V255-N257 VanDerWaalsContact C-N 3.25Å; V255-N257 PolarHBondContact O-N 2.98Å; N257-H259 PolarHBondContact O-CD2 3.46Å; N257-H259 PolarHBondContact O-N 3.33Å
258	N	96.7	Very high	96.4	Very high	137 Å²	137	55.1 Å²	55.1	73%	0.733	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	31	-178.7	-62.5	87.1	0	0	0	114.5	A254 V255	A254-N258 PolarHBondContact O-N 3.21Å; V255-N258 PolarHBondContact O-N 3.44Å
259	H	97.4	Very high	96.6	Very high	57 Å²	57	54.6 Å²	54.6	26%	0.264	27%	0.272	S	S	.	.			trans	-100.8	43.8	176.3	-63.4	172.3	0	0	0	112	D222 I223 I224 A254 N257 Y261	D222-H259 VanDerWaalsContact O-CB 3.26Å; D222-H259 WeakPolarHBondContact O-CB 3.39Å; D222-H259 PolarHBondContact O-ND1 3.35Å; I223-H259 WeakPolarHBondContact CA-O 3.37Å; I223-H259 HydrophobicContact CG1-CB 4.35Å; I224-H259 PolarHBondContact N-O 2.9Å; A254-H259 HydrophobicContact CB-CB 4.42Å; A254-H259 WeakPolarHBondContact O-CA 3.32Å; A254-H259 PolarHBondContact O-N 2.92Å; N257-H259 PolarHBondContact O-CD2 3.46Å; N257-H259 PolarHBondContact O-N 3.33Å; H259-Y261 HydrophobicContact CB-CE2 4.14Å; H259-Y261 PolarHBondContact CD2-OH 3Å
260	V	97.9	Very high	96.7	Very high	35 Å²	35	56.4 Å²	56.4	21%	0.212	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	115.9	170.7	-175.1	0	0	0	0	107.4	I224 R226 F243 V255	I224-V260 HydrophobicContact CB-CG1 4.38Å; I224-V260 HydrophobicContact CB-CG2 4.31Å; I224-V260 HydrophobicContact CD1-CG2 4.38Å; I224-V260 HydrophobicContact CG2-CG1 4.45Å; I224-V260 WeakPolarHBondContact O-CA 3.48Å; R226-V260 HydrophobicContact CG-CG1 4.26Å; F243-V260 HydrophobicContact CD1-CG1 4.38Å; F243-V260 HydrophobicContact CE1-CG1 3.83Å; F243-V260 HydrophobicContact CE1-CG2 4.16Å; F243-V260 HydrophobicContact CZ-CG1 4.34Å; V255-V260 HydrophobicContact CB-CG2 4.39Å; V255-V260 HydrophobicContact CG2-CG2 3.78Å
261	Y	98.2	Very high	97	Very high	68 Å²	68	52.5 Å²	52.5	27%	0.267	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	124.6	-175.4	-55	-79.6	0	0	0	110.7	I223 I224 L225 R226 H259 L286	I223-Y261 HydrophobicContact CG1-CE2 4.43Å; I223-Y261 HydrophobicContact CG2-CD2 3.69Å; I223-Y261 HydrophobicContact CG2-CE2 3.83Å; I224-Y261 PolarHBondContact O-N 2.82Å; L225-Y261 HydrophobicContact CD2-CD2 4.21Å; R226-Y261 PolarHBondContact N-O 3.32Å; H259-Y261 HydrophobicContact CB-CE2 4.14Å; H259-Y261 PolarHBondContact CD2-OH 3Å; Y261-L286 HydrophobicContact CD1-CD1 4.3Å; Y261-L286 HydrophobicContact CD2-CD1 4.28Å; Y261-L286 HydrophobicContact CD2-CD2 3.76Å; Y261-L286 HydrophobicContact CD2-CG 4.38Å; Y261-L286 HydrophobicContact CE2-CD2 3.81Å; Y261-L286 HydrophobicContact CG-CD1 3.97Å; Y261-L286 HydrophobicContact CG-CD2 4.27Å; Y261-L286 HydrophobicContact CG-CG 4.43Å
262	D	98	Very high	97.3	Very high	63 Å²	63	47.1 Å²	47.1	34%	0.337	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	116.5	164.5	-64.2	-55.9	0	0	0	108.5	R226	R226-D262 WeakPolarHBondContact CB-OD1 3.46Å; R226-D262 IonicContact CZ-OD1 3.19Å; R226-D262 IonicContact CZ-OD2 3.71Å; R226-D262 IonicContact NE-OD1 2.71Å; R226-D262 PolarHBondContact NE-OD1 3.37Å; R226-D262 IonicContact NE-OD2 3.92Å; R226-D262 IonicContact NH2-OD1 2.69Å; R226-D262 PolarHBondContact NH2-OD1 2.97Å; R226-D262 IonicContact NH2-OD2 2.71Å; R226-D262 PolarHBondContact NH2-OD2 2.9Å; R226-D262 WeakPolarHBondContact O-CA 3.45Å
263	L	98.1	Very high	97.4	Very high	10 Å²	10	47.6 Å²	47.6	5%	0.052	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-89.5	146.1	175.1	-56.7	-173.7	0	0	0	109.8	I188 L225 R226 L227 P228 F268 L283 L286	I188-L263 HydrophobicContact CD1-CD1 4.33Å; L225-L263 HydrophobicContact CB-CD1 4.36Å; L225-L263 HydrophobicContact CD1-CD1 4.28Å; L225-L263 HydrophobicContact CD2-CD1 4.32Å; L225-L263 HydrophobicContact CD2-CD2 4.4Å; L225-L263 HydrophobicContact CD2-CG 4.48Å; R226-L263 PolarHBondContact O-N 2.97Å; L227-L263 HydrophobicContact CD1-CD1 4.2Å; L227-L263 HydrophobicContact CD2-CD1 4.37Å; L227-L263 HydrophobicContact CG-CB 4.23Å; L227-L263 HydrophobicContact CG-CD1 4.14Å; P228-L263 WeakPolarHBondContact CD-O 3.41Å; L263-F268 HydrophobicContact CB-CB 4.13Å; L263-F268 HydrophobicContact CB-CD2 3.77Å; L263-F268 HydrophobicContact CB-CE2 4.41Å; L263-F268 HydrophobicContact CB-CG 4.04Å; L263-F268 HydrophobicContact CD1-CB 4.26Å; L263-F268 HydrophobicContact CD1-CD1 3.94Å; L263-F268 HydrophobicContact CD1-CD2 4.14Å; L263-F268 HydrophobicContact CD1-CE1 4.29Å; L263-F268 HydrophobicContact CD1-CE2 4.46Å; L263-F268 HydrophobicContact CD1-CG 3.85Å; L263-F268 HydrophobicContact CD2-CE2 4.41Å; L263-F268 HydrophobicContact CG-CD2 4.38Å; L263-L283 HydrophobicContact CD1-CD1 4.47Å; L263-L286 HydrophobicContact CD2-CD1 3.85Å
264	E	96.7	Very high	97.5	Very high	109 Å²	109	45.5 Å²	45.5	51%	0.509	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-72.2	141.6	171.6	-65.9	-56.6	137.7	0	0	110.5	K236 V266 F268	K236-E264 IonicContact NZ-OE1 3.14Å; K236-E264 PolarHBondContact NZ-OE1 3.42Å; K236-E264 IonicContact NZ-OE2 3.23Å; K236-E264 PolarHBondContact NZ-OE2 2.99Å; E264-V266 PolarHBondContact O-N 3.4Å; E264-V266 VanDerWaalsContact O-N 3.14Å; E264-F268 WeakPolarHBondContact O-CB 3.47Å; E264-F268 WeakPolarHBondContact O-CD2 3.32Å; E264-F268 PolarHBondContact O-N 3.27Å
265	E	97.2	Very high	97.6	Very high	11 Å²	11	46.3 Å²	46.3	5%	0.051	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-24.5	-178.7	-168.1	-173.3	-167.7	0	0	112.5	Y61 K62 P228 H229 F268 G269	Y61-E265 PolarHBondContact OH-OE2 2.94Å; K62-E265 WeakPolarHBondContact CE-OE1 3.32Å; K62-E265 WeakPolarHBondContact CE-OE2 3.49Å; K62-E265 IonicContact NZ-OE1 2.61Å; K62-E265 PolarHBondContact NZ-OE1 3.2Å; K62-E265 IonicContact NZ-OE2 3.06Å; K62-E265 PolarHBondContact NZ-OE2 3.12Å; P228-E265 HydrophobicContact CG-CB 4.34Å; P228-E265 WeakPolarHBondContact O-CG 3.35Å; H229-E265 IonicContact CE1-OE1 2.95Å; H229-E265 IonicContact ND1-OE1 3.98Å; H229-E265 PolarHBondContact ND1-OE1 3.15Å; H229-E265 VanDerWaalsContact ND1-OE1 3.14Å; E265-F268 CarbonylContact O-C 3.53Å; E265-F268 PolarHBondContact O-N 3.27Å; E265-G269 WeakPolarHBondContact O-CA 3.45Å; E265-G269 PolarHBondContact O-N 3.15Å
266	V	97.2	Very high	97.7	Very high	85 Å²	85	44.3 Å²	44.3	52%	0.515	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	116.2	169.4	-178.9	0	0	0	0	107.7	K62 E264	K62-V266 HydrophobicContact CD-CG2 4.38Å; E264-V266 PolarHBondContact O-N 3.4Å; E264-V266 VanDerWaalsContact O-N 3.14Å
267	P	97.7	Very high	97.8	Very high	9 Å²	9	39.8 Å²	39.8	6%	0.058	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	cis	-96.2	9	12.3	39.6	-38.7	0	0	0	115.1	G269 D275 K278 A279	P267-G269 PolarHBondContact O-N 3.4Å; P267-D275 HydrophobicContact CB-CB 4.27Å; P267-D275 WeakPolarHBondContact CB-OD2 3.48Å; P267-K278 HydrophobicContact CB-CB 4.36Å; P267-K278 HydrophobicContact CG-CB 4.13Å; P267-A279 HydrophobicContact CB-CB 3.99Å; P267-A279 HydrophobicContact CG-CB 3.85Å
268	F	98.4	Very high	97.8	Very high	7 Å²	7	41.1 Å²	41.1	3%	0.031	21%	0.212	C	C	.	.	S	Bend	trans	-93.4	59.7	-174.1	-54.6	-78.1	0	0	0	112.8	I188 L191 L227 L263 E264 E265 A279 Q282 L283	I188-F268 HydrophobicContact CD1-CD1 4.24Å; L191-F268 HydrophobicContact CD1-CD1 4.02Å; L191-F268 HydrophobicContact CD1-CE1 4.4Å; L227-F268 HydrophobicContact CD2-CB 3.82Å; L227-F268 WeakPolarHBondContact CD2-O 3.43Å; L263-F268 HydrophobicContact CB-CB 4.13Å; L263-F268 HydrophobicContact CB-CD2 3.77Å; L263-F268 HydrophobicContact CB-CE2 4.41Å; L263-F268 HydrophobicContact CB-CG 4.04Å; L263-F268 HydrophobicContact CD1-CB 4.26Å; L263-F268 HydrophobicContact CD1-CD1 3.94Å; L263-F268 HydrophobicContact CD1-CD2 4.14Å; L263-F268 HydrophobicContact CD1-CE1 4.29Å; L263-F268 HydrophobicContact CD1-CE2 4.46Å; L263-F268 HydrophobicContact CD1-CG 3.85Å; L263-F268 HydrophobicContact CD2-CE2 4.41Å; L263-F268 HydrophobicContact CG-CD2 4.38Å; E264-F268 WeakPolarHBondContact O-CB 3.47Å; E264-F268 WeakPolarHBondContact O-CD2 3.32Å; E264-F268 PolarHBondContact O-N 3.27Å; E265-F268 CarbonylContact O-C 3.53Å; E265-F268 PolarHBondContact O-N 3.27Å; F268-A279 HydrophobicContact CD1-CB 4.07Å; F268-A279 HydrophobicContact CE1-CB 3.89Å; F268-A279 WeakPolarHBondContact CE1-O 3.4Å; F268-Q282 HydrophobicContact CE2-CB 4.4Å; F268-Q282 HydrophobicContact CZ-CB 3.8Å; F268-L283 HydrophobicContact CE1-CB 4.07Å; F268-L283 HydrophobicContact CZ-CB 4.49Å
269	G	96.4	Very high	97.9	Very high	12 Å²	12	34.6 Å²	34.6	12%	0.124	18%	0.177	C	C	.	.			trans	-73.7	175.1	-177.5	0	0	0	0	0	114.6	E265 P267 T271	E265-G269 WeakPolarHBondContact O-CA 3.45Å; E265-G269 PolarHBondContact O-N 3.15Å; P267-G269 PolarHBondContact O-N 3.4Å; G269-T271 PolarHBondContact O-N 3.02Å
270	I	97	Very high	98	Very high	39 Å²	39	31.9 Å²	31.9	20%	0.2	16%	0.164	C	C	.	.	S	Bend	trans	-69.2	-22.1	173.9	-159.8	169.5	0	0	0	113	M173 Y208	M173-I270 HydrophobicContact CE-CB 4.43Å; M173-I270 HydrophobicContact CE-CG1 4.32Å; M173-I270 HydrophobicContact SD-CG1 4.46Å; Y208-I270 HydrophobicContact CE2-CD1 4.17Å; Y208-I270 HydrophobicContact CE2-CG1 3.66Å; Y208-I270 WeakPolarHBondContact OH-CG1 3.46Å; Y208-I270 PolarHBondContact OH-O 2.95Å
271	T	98.3	Very high	98	Very high	20 Å²	20	32.7 Å²	32.7	12%	0.123	17%	0.169	C	C	.	.	S	Bend	trans	-124.9	164.4	171.8	69.9	0	0	0	0	109.8	V96 T98 Y187 G269	V96-T271 HydrophobicContact CG2-CG2 4.32Å; T98-T271 HydrophobicContact CG2-CG2 4.18Å; T98-T271 VanDerWaalsContact OG1-CG2 3.28Å; T98-T271 WeakPolarHBondContact OG1-CG2 3.42Å; Y187-T271 WeakPolarHBondContact CD1-O 3.44Å; G269-T271 PolarHBondContact O-N 3.02Å
272	A	98.6	Very high	98	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.177	C	C	.	.			trans	-56.2	157.3	167	0	0	0	0	0	110.8	A42 F119 M125 Y187	A42-A272 WeakPolarHBondContact CB-O 3.37Å; F119-A272 HydrophobicContact CB-CB 4.4Å; F119-A272 HydrophobicContact CD1-CB 4.32Å; F119-A272 WeakPolarHBondContact CD1-O 3.05Å; F119-A272 VanDerWaalsContact O-CB 3.27Å; F119-A272 WeakPolarHBondContact O-CB 3.44Å; F119-A272 PolarHBondContact O-N 2.96Å; M125-A272 HydrophobicContact CB-CB 4Å; M125-A272 HydrophobicContact CE-CB 4.23Å; M125-A272 HydrophobicContact CG-CB 4.36Å; M125-A272 HydrophobicContact SD-CB 3.7Å; Y187-A272 VanDerWaalsContact CD2-CA 3.48Å; Y187-A272 HydrophobicContact CD2-CB 3.49Å; Y187-A272 VanDerWaalsContact CD2-CB 3.49Å; Y187-A272 HydrophobicContact CE2-CB 3.79Å; Y187-A272 VanDerWaalsContact CG-CA 3.45Å; Y187-A272 HydrophobicContact CG-CB 3.9Å; Y187-A272 VanDerWaalsContact CG-N 3.28Å
273	N	98.6	Very high	98.1	Very high	20 Å²	20	30.9 Å²	30.9	11%	0.107	16%	0.161	C	C	.	.			trans	-156	165.1	175.2	-170.3	12.1	0	0	0	109.3	A42 M45 M125 D275 A276	A42-N273 WeakPolarHBondContact CA-OD1 3.26Å; A42-N273 HydrophobicContact CB-CB 4.1Å; M45-N273 PolarHBondContact SD-ND2 2.63Å; M125-N273 WeakPolarHBondContact CE-O 3.42Å; M125-N273 VanDerWaalsContact SD-C 3.51Å; N273-D275 WeakPolarHBondContact CB-OD1 3.05Å; N273-D275 PolarHBondContact ND2-OD1 2.99Å; N273-D275 PolarHBondContact O-N 3.09Å; N273-A276 VanDerWaalsContact O-CB 3.31Å; N273-A276 WeakPolarHBondContact O-CB 3.41Å; N273-A276 PolarHBondContact O-N 3.07Å
274	V	98.4	Very high	98.1	Very high	9 Å²	9	31.5 Å²	31.5	6%	0.055	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-8.4	-173.1	-63.4	0	0	0	0	114.4	M45 T46 K49 L145 A276	M45-V274 HydrophobicContact CB-CG2 3.8Å; M45-V274 HydrophobicContact CE-CG2 4.1Å; T46-V274 HydrophobicContact CG2-CG1 4.41Å; K49-V274 HydrophobicContact CG-CB 4.14Å; K49-V274 HydrophobicContact CG-CG1 4.21Å; K49-V274 HydrophobicContact CG-CG2 3.95Å; L145-V274 HydrophobicContact CD2-CG1 3.92Å; V274-A276 VanDerWaalsContact C-N 3.31Å
275	D	98.3	Very high	98.1	Very high	18 Å²	18	29.7 Å²	29.7	10%	0.096	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	16.8	170.7	60.5	-13.7	0	0	0	113.3	P267 N273 D277 K278 A279	P267-D275 HydrophobicContact CB-CB 4.27Å; P267-D275 WeakPolarHBondContact CB-OD2 3.48Å; N273-D275 WeakPolarHBondContact CB-OD1 3.05Å; N273-D275 PolarHBondContact ND2-OD1 2.99Å; N273-D275 PolarHBondContact O-N 3.09Å; D275-D277 VanDerWaalsContact C-OD1 3.29Å; D275-D277 WeakPolarHBondContact CA-OD1 3.35Å; D275-D277 PolarHBondContact O-N 3.41Å; D275-D277 VanDerWaalsContact O-N 3.15Å; D275-K278 HydrophobicContact CB-CD 4.4Å; D275-K278 WeakPolarHBondContact O-CB 3.42Å; D275-K278 PolarHBondContact O-N 2.72Å; D275-A279 PolarHBondContact O-N 3.24Å
276	A	98.6	Very high	98.2	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-58.4	-23.2	173.5	0	0	0	0	0	113.2	L122 M125 L149 Y187 N273 V274 K278 A279 M280	L122-A276 HydrophobicContact CD2-CB 3.62Å; M125-A276 HydrophobicContact CE-CB 4.18Å; L149-A276 HydrophobicContact CD2-CB 4.19Å; Y187-A276 HydrophobicContact CE2-CB 4.25Å; Y187-A276 WeakPolarHBondContact OH-CA 3.32Å; Y187-A276 WeakPolarHBondContact OH-CB 3.39Å; N273-A276 VanDerWaalsContact O-CB 3.31Å; N273-A276 WeakPolarHBondContact O-CB 3.41Å; N273-A276 PolarHBondContact O-N 3.07Å; V274-A276 VanDerWaalsContact C-N 3.31Å; A276-K278 VanDerWaalsContact C-N 3.34Å; A276-A279 PolarHBondContact O-N 3.11Å; A276-M280 HydrophobicContact CB-CE 4.42Å; A276-M280 WeakPolarHBondContact O-CB 3.33Å; A276-M280 VanDerWaalsContact O-CE 3.3Å; A276-M280 WeakPolarHBondContact O-CE 3.31Å; A276-M280 VanDerWaalsContact O-CG 3.24Å; A276-M280 WeakPolarHBondContact O-CG 3.23Å; A276-M280 PolarHBondContact O-N 3.09Å
277	D	98.6	Very high	98.2	Very high	34 Å²	34	26.9 Å²	26.9	18%	0.182	14%	0.138	C	C	.	.	H	α-helix	trans	-59.2	-43.9	171.2	61.6	-16.5	0	0	0	112.4	H148 V152 D275 T281	H148-D277 IonicContact CD2-OD2 2.73Å; H148-D277 IonicContact CE1-OD2 3.33Å; H148-D277 IonicContact NE2-OD2 2.7Å; H148-D277 PolarHBondContact NE2-OD2 3.19Å; V152-D277 HydrophobicContact CB-CB 4.28Å; V152-D277 HydrophobicContact CG1-CB 4.06Å; V152-D277 HydrophobicContact CG2-CB 4.01Å; D275-D277 VanDerWaalsContact C-OD1 3.29Å; D275-D277 WeakPolarHBondContact CA-OD1 3.35Å; D275-D277 PolarHBondContact O-N 3.41Å; D275-D277 VanDerWaalsContact O-N 3.15Å; D277-T281 WeakPolarHBondContact O-CB 3.34Å; D277-T281 PolarHBondContact O-N 3.12Å; D277-T281 PolarHBondContact O-OG1 2.76Å
278	K	98.6	Very high	98.2	Very high	121 Å²	121	27.6 Å²	27.6	53%	0.526	14%	0.14	S	C	.	.	H	α-helix	trans	-67.4	-45.8	173.6	-61.6	177.2	-169.2	-70.1	0	110.6	P267 D275 A276 T281 Q282	P267-K278 HydrophobicContact CB-CB 4.36Å; P267-K278 HydrophobicContact CG-CB 4.13Å; D275-K278 HydrophobicContact CB-CD 4.4Å; D275-K278 WeakPolarHBondContact O-CB 3.42Å; D275-K278 PolarHBondContact O-N 2.72Å; A276-K278 VanDerWaalsContact C-N 3.34Å; K278-T281 PolarHBondContact O-N 2.84Å; K278-Q282 WeakPolarHBondContact O-CB 3.43Å; K278-Q282 VanDerWaalsContact O-CG 3.29Å; K278-Q282 WeakPolarHBondContact O-CG 3.34Å; K278-Q282 PolarHBondContact O-N 3.36Å
279	A	98.7	Very high	97.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61	-49.1	-178.6	0	0	0	0	0	112.3	Y187 L191 P267 F268 D275 A276 T281 Q282 L283	Y187-A279 WeakPolarHBondContact OH-CB 3.13Å; L191-A279 HydrophobicContact CD1-CB 3.7Å; L191-A279 HydrophobicContact CD2-CB 4.15Å; P267-A279 HydrophobicContact CB-CB 3.99Å; P267-A279 HydrophobicContact CG-CB 3.85Å; F268-A279 HydrophobicContact CD1-CB 4.07Å; F268-A279 HydrophobicContact CE1-CB 3.89Å; F268-A279 WeakPolarHBondContact CE1-O 3.4Å; D275-A279 PolarHBondContact O-N 3.24Å; A276-A279 PolarHBondContact O-N 3.11Å; A279-T281 VanDerWaalsContact C-N 3.33Å; A279-T281 PolarHBondContact O-N 3.3Å; A279-Q282 PolarHBondContact O-N 3.18Å; A279-L283 VanDerWaalsContact O-CB 3.29Å; A279-L283 WeakPolarHBondContact O-CB 2.91Å; A279-L283 PolarHBondContact O-N 2.92Å
280	M	98.7	Very high	95.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.8	-43.7	177.2	-70.9	-177.4	-72.8	0	0	111.6	L122 V152 K153 I156 L191 I194 A276 Y284	L122-M280 HydrophobicContact CD2-CE 4.27Å; V152-M280 HydrophobicContact CB-CE 4.17Å; V152-M280 HydrophobicContact CG1-CE 3.91Å; K153-M280 HydrophobicContact CB-CE 4.22Å; K153-M280 HydrophobicContact CB-SD 3.82Å; K153-M280 HydrophobicContact CG-SD 4.19Å; I156-M280 HydrophobicContact CG1-CB 4.19Å; L191-M280 HydrophobicContact CD2-CB 4.44Å; L191-M280 HydrophobicContact CD2-CG 3.44Å; L191-M280 VanDerWaalsContact CD2-CG 3.44Å; I194-M280 HydrophobicContact CD1-SD 4.07Å; I194-M280 HydrophobicContact CG2-CB 4.49Å; I194-M280 HydrophobicContact CG2-CG 3.99Å; I194-M280 HydrophobicContact CG2-SD 3.76Å; A276-M280 HydrophobicContact CB-CE 4.42Å; A276-M280 WeakPolarHBondContact O-CB 3.33Å; A276-M280 VanDerWaalsContact O-CE 3.3Å; A276-M280 WeakPolarHBondContact O-CE 3.31Å; A276-M280 VanDerWaalsContact O-CG 3.24Å; A276-M280 WeakPolarHBondContact O-CG 3.23Å; A276-M280 PolarHBondContact O-N 3.09Å; M280-Y284 WeakPolarHBondContact O-CB 3.4Å; M280-Y284 PolarHBondContact O-N 2.82Å
281	T	98.4	Very high	93.8	Very high	51 Å²	51	43.6 Å²	43.6	31%	0.313	21%	0.211	S	C	.	.	H	α-helix	trans	-66.9	-49.5	-179.3	-56.7	0	0	0	0	111.5	D277 K278 A279 L283 Y284 D285	D277-T281 WeakPolarHBondContact O-CB 3.34Å; D277-T281 PolarHBondContact O-N 3.12Å; D277-T281 PolarHBondContact O-OG1 2.76Å; K278-T281 PolarHBondContact O-N 2.84Å; A279-T281 VanDerWaalsContact C-N 3.33Å; A279-T281 PolarHBondContact O-N 3.3Å; T281-L283 VanDerWaalsContact C-N 3.33Å; T281-L283 PolarHBondContact O-N 3Å; T281-Y284 PolarHBondContact O-N 2.7Å; T281-D285 PolarHBondContact O-N 3.09Å
282	Q	98.4	Very high	90.8	Very high	94 Å²	94	55.4 Å²	55.4	44%	0.439	26%	0.261	S	S	.	.	H	α-helix	trans	-63.1	-39	-179.7	-73.6	-178.7	25.2	0	0	112.2	F268 K278 A279 D285 L286	F268-Q282 HydrophobicContact CE2-CB 4.4Å; F268-Q282 HydrophobicContact CZ-CB 3.8Å; K278-Q282 WeakPolarHBondContact O-CB 3.43Å; K278-Q282 VanDerWaalsContact O-CG 3.29Å; K278-Q282 WeakPolarHBondContact O-CG 3.34Å; K278-Q282 PolarHBondContact O-N 3.36Å; A279-Q282 PolarHBondContact O-N 3.18Å; Q282-D285 PolarHBondContact O-N 3.41Å; Q282-L286 WeakPolarHBondContact O-CB 3.36Å; Q282-L286 PolarHBondContact O-N 2.78Å
283	L	98.5	Very high	90.4	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-70.9	-41.4	179.4	-167.4	62.2	0	0	0	112.2	I188 L191 V192 A195 L225 L263 F268 A279 T281 D285 L286 F287	I188-L283 HydrophobicContact CD1-CD2 4.4Å; L191-L283 HydrophobicContact CB-CD2 3.77Å; V192-L283 HydrophobicContact CG2-CD2 3.97Å; A195-L283 HydrophobicContact CB-CB 4.23Å; A195-L283 HydrophobicContact CB-CD2 4.13Å; A195-L283 HydrophobicContact CB-CG 4.01Å; L225-L283 HydrophobicContact CD1-CD1 3.84Å; L263-L283 HydrophobicContact CD1-CD1 4.47Å; F268-L283 HydrophobicContact CE1-CB 4.07Å; F268-L283 HydrophobicContact CZ-CB 4.49Å; A279-L283 VanDerWaalsContact O-CB 3.29Å; A279-L283 WeakPolarHBondContact O-CB 2.91Å; A279-L283 PolarHBondContact O-N 2.92Å; T281-L283 VanDerWaalsContact C-N 3.33Å; T281-L283 PolarHBondContact O-N 3Å; L283-D285 VanDerWaalsContact C-N 3.33Å; L283-L286 WeakPolarHBondContact O-CB 3.47Å; L283-L286 PolarHBondContact O-N 2.97Å; L283-F287 HydrophobicContact CD1-CD1 4.45Å; L283-F287 HydrophobicContact CD1-CE1 3.76Å; L283-F287 HydrophobicContact CD1-CZ 3.79Å; L283-F287 HydrophobicContact CD2-CE2 4.41Å; L283-F287 HydrophobicContact CD2-CZ 4.21Å; L283-F287 HydrophobicContact CG-CE1 4.19Å; L283-F287 HydrophobicContact CG-CE2 4.07Å; L283-F287 HydrophobicContact CG-CZ 3.84Å; L283-F287 WeakPolarHBondContact O-CG 3.32Å; L283-F287 PolarHBondContact O-N 3.34Å
284	Y	98.6	Very high	90	Very high	23 Å²	23	60.2 Å²	60.2	9%	0.09	28%	0.283	C	S	.	.	H	α-helix	trans	-58.2	-48	171.6	172.3	-86.8	0	0	0	111	I156 K159 A160 Q163 M280 T281 L286 F287 Y288	I156-Y284 HydrophobicContact CD1-CG 4.26Å; I156-Y284 HydrophobicContact CG2-CD2 4.06Å; I156-Y284 HydrophobicContact CG2-CG 4.15Å; K159-Y284 HydrophobicContact CB-CD2 4.28Å; K159-Y284 HydrophobicContact CB-CE1 4.33Å; K159-Y284 HydrophobicContact CB-CE2 3.49Å; K159-Y284 VanDerWaalsContact CB-CE2 3.49Å; K159-Y284 HydrophobicContact CD-CD1 4.34Å; K159-Y284 HydrophobicContact CD-CE1 3.84Å; K159-Y284 HydrophobicContact CD-CE2 4.41Å; A160-Y284 HydrophobicContact CB-CD2 4.49Å; A160-Y284 HydrophobicContact CB-CE2 4.42Å; Q163-Y284 PolarHBondContact NE2-OH 3.34Å; M280-Y284 WeakPolarHBondContact O-CB 3.4Å; M280-Y284 PolarHBondContact O-N 2.82Å; T281-Y284 PolarHBondContact O-N 2.7Å; Y284-L286 VanDerWaalsContact C-N 3.31Å; Y284-L286 PolarHBondContact O-N 2.85Å; Y284-F287 PolarHBondContact O-N 3.37Å; Y284-Y288 AromaticContact CD2-CD2 3.74Å; Y284-Y288 HydrophobicContact CD2-CD2 3.74Å; Y284-Y288 AromaticContact CD2-CE2 3.85Å; Y284-Y288 HydrophobicContact CD2-CE2 3.85Å; Y284-Y288 HydrophobicContact CE1-CD2 4.36Å; Y284-Y288 AromaticContact CE2-CD2 3.46Å; Y284-Y288 HydrophobicContact CE2-CD2 3.46Å; Y284-Y288 VanDerWaalsContact CE2-CD2 3.46Å; Y284-Y288 AromaticContact CE2-CE2 3.7Å; Y284-Y288 HydrophobicContact CE2-CE2 3.7Å; Y284-Y288 HydrophobicContact CG-CD2 4.3Å; Y284-Y288 AromaticContact CZ-CD2 3.77Å; Y284-Y288 WeakPolarHBondContact O-CD2 3.36Å; Y284-Y288 PolarHBondContact O-N 2.92Å
285	D	97.8	Very high	89.5	Confident	70 Å²	70	63 Å²	63	37%	0.374	30%	0.295	S	S	.	.	H	α-helix	trans	-60.8	-44.5	179.3	-73.6	-20.2	0	0	0	109.8	T281 Q282 L283 F287 Y288 K289	T281-D285 PolarHBondContact O-N 3.09Å; Q282-D285 PolarHBondContact O-N 3.41Å; L283-D285 VanDerWaalsContact C-N 3.33Å; D285-F287 PolarHBondContact O-N 2.95Å; D285-Y288 CarbonylContact O-C 3.36Å; D285-Y288 PolarHBondContact O-N 3.29Å; D285-K289 WeakPolarHBondContact O-CG 3.48Å; D285-K289 PolarHBondContact O-N 3.42Å
286	L	97.6	Very high	89	Confident	19 Å²	19	65.6 Å²	65.6	10%	0.099	31%	0.307	C	S	.	.	H	α-helix	trans	-54.1	-45.6	174.5	-172.6	156	0	0	0	113.2	I223 L225 Y261 L263 Q282 L283 Y284 Y288	I223-L286 HydrophobicContact CD1-CD2 4.36Å; L225-L286 HydrophobicContact CD2-CD2 4.29Å; Y261-L286 HydrophobicContact CD1-CD1 4.3Å; Y261-L286 HydrophobicContact CD2-CD1 4.28Å; Y261-L286 HydrophobicContact CD2-CD2 3.76Å; Y261-L286 HydrophobicContact CD2-CG 4.38Å; Y261-L286 HydrophobicContact CE2-CD2 3.81Å; Y261-L286 HydrophobicContact CG-CD1 3.97Å; Y261-L286 HydrophobicContact CG-CD2 4.27Å; Y261-L286 HydrophobicContact CG-CG 4.43Å; L263-L286 HydrophobicContact CD2-CD1 3.85Å; Q282-L286 WeakPolarHBondContact O-CB 3.36Å; Q282-L286 PolarHBondContact O-N 2.78Å; L283-L286 WeakPolarHBondContact O-CB 3.47Å; L283-L286 PolarHBondContact O-N 2.97Å; Y284-L286 VanDerWaalsContact C-N 3.31Å; Y284-L286 PolarHBondContact O-N 2.85Å; L286-Y288 VanDerWaalsContact C-N 3.27Å; L286-Y288 PolarHBondContact O-N 3.08Å
287	F	98.1	Very high	88.4	Confident	19 Å²	19	69.8 Å²	69.8	8%	0.083	33%	0.326	C	S	.	.	H	α-helix	trans	-68.7	-23.4	-179	-70.7	-8.4	0	0	0	114.2	P167 V169 V192 A195 I223 L225 L283 Y284 D285	P167-F287 HydrophobicContact CG-CB 4.04Å; P167-F287 HydrophobicContact CG-CD1 4.19Å; P167-F287 HydrophobicContact CG-CD2 3.95Å; P167-F287 HydrophobicContact CG-CE2 4.46Å; P167-F287 HydrophobicContact CG-CG 3.81Å; V169-F287 HydrophobicContact CG1-CZ 4.39Å; V169-F287 HydrophobicContact CG2-CE1 4.05Å; V169-F287 HydrophobicContact CG2-CE2 4.24Å; V169-F287 HydrophobicContact CG2-CZ 3.66Å; V192-F287 HydrophobicContact CG1-CE2 4.3Å; V192-F287 HydrophobicContact CG1-CZ 4.26Å; V192-F287 HydrophobicContact CG2-CZ 4.12Å; A195-F287 HydrophobicContact CB-CD2 3.76Å; A195-F287 HydrophobicContact CB-CE2 3.78Å; I223-F287 HydrophobicContact CD1-CD1 3.61Å; I223-F287 HydrophobicContact CD1-CE1 4.02Å; I223-F287 HydrophobicContact CD1-CG 4.48Å; I223-F287 HydrophobicContact CG2-CE1 4.48Å; L225-F287 HydrophobicContact CD1-CE1 4.26Å; L225-F287 HydrophobicContact CD1-CZ 4.25Å; L283-F287 HydrophobicContact CD1-CD1 4.45Å; L283-F287 HydrophobicContact CD1-CE1 3.76Å; L283-F287 HydrophobicContact CD1-CZ 3.79Å; L283-F287 HydrophobicContact CD2-CE2 4.41Å; L283-F287 HydrophobicContact CD2-CZ 4.21Å; L283-F287 HydrophobicContact CG-CE1 4.19Å; L283-F287 HydrophobicContact CG-CE2 4.07Å; L283-F287 HydrophobicContact CG-CZ 3.84Å; L283-F287 WeakPolarHBondContact O-CG 3.32Å; L283-F287 PolarHBondContact O-N 3.34Å; Y284-F287 PolarHBondContact O-N 3.37Å; D285-F287 PolarHBondContact O-N 2.95Å
288	Y	96.7	Very high	87.7	Confident	23 Å²	23	72.1 Å²	72.1	9%	0.09	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131	27.2	-172.2	-53.9	-68.1	0	0	0	113.9	Q163 K165 H166 A195 G196 Y284 D285 L286 D290	Q163-Y288 HydrophobicContact CB-CD1 4.33Å; Q163-Y288 HydrophobicContact CB-CE1 3.73Å; Q163-Y288 HydrophobicContact CG-CD1 3.77Å; Q163-Y288 HydrophobicContact CG-CD2 4.1Å; Q163-Y288 HydrophobicContact CG-CE1 3.54Å; Q163-Y288 HydrophobicContact CG-CE2 3.88Å; Q163-Y288 HydrophobicContact CG-CG 4.05Å; K165-Y288 WeakPolarHBondContact O-CE1 3.46Å; H166-Y288 PolarHBondContact ND1-OH 2.87Å; A195-Y288 VanDerWaalsContact O-CE2 3.31Å; A195-Y288 WeakPolarHBondContact O-CE2 2.96Å; G196-Y288 PolarHBondContact O-OH 3.37Å; G196-Y288 VanDerWaalsContact O-OH 3.13Å; Y284-Y288 AromaticContact CD2-CD2 3.74Å; Y284-Y288 HydrophobicContact CD2-CD2 3.74Å; Y284-Y288 AromaticContact CD2-CE2 3.85Å; Y284-Y288 HydrophobicContact CD2-CE2 3.85Å; Y284-Y288 HydrophobicContact CE1-CD2 4.36Å; Y284-Y288 AromaticContact CE2-CD2 3.46Å; Y284-Y288 HydrophobicContact CE2-CD2 3.46Å; Y284-Y288 VanDerWaalsContact CE2-CD2 3.46Å; Y284-Y288 AromaticContact CE2-CE2 3.7Å; Y284-Y288 HydrophobicContact CE2-CE2 3.7Å; Y284-Y288 HydrophobicContact CG-CD2 4.3Å; Y284-Y288 AromaticContact CZ-CD2 3.77Å; Y284-Y288 WeakPolarHBondContact O-CD2 3.36Å; Y284-Y288 PolarHBondContact O-N 2.92Å; D285-Y288 CarbonylContact O-C 3.36Å; D285-Y288 PolarHBondContact O-N 3.29Å; L286-Y288 VanDerWaalsContact C-N 3.27Å; L286-Y288 PolarHBondContact O-N 3.08Å; Y288-D290 VanDerWaalsContact C-N 3.27Å; Y288-D290 PolarHBondContact O-N 3.22Å
289	K	83.6	Confident	86.9	Confident	133 Å²	133	68.6 Å²	68.6	58%	0.578	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-58.6	-36.6	179.8	-65.9	-167.4	171.1	159.4	0	112.9	D285 K291	D285-K289 WeakPolarHBondContact O-CG 3.48Å; D285-K289 PolarHBondContact O-N 3.42Å; K289-K291 PolarHBondContact O-N 3.44Å
290	D	62.8	Low	86	Confident	144 Å²	144	73.9 Å²	73.9	77%	0.77	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-80.6	22.1	-172.3	-55.4	-31.6	0	0	0	114.3	Y288	Y288-D290 VanDerWaalsContact C-N 3.27Å; Y288-D290 PolarHBondContact O-N 3.22Å
291	K	53	Low	85	Confident	117 Å²	117	80.1 Å²	80.1	51%	0.509	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-126.4	18.1	-179.6	-66.5	-166.5	-175.5	174.9	0	114.7	K289	K289-K291 PolarHBondContact O-N 3.44Å
292	K	36.2	Very low	83.7	Confident	268 Å²	268	82.7 Å²	82.7	100%	1.165	38%	0.382	S	S	*	.			trans	-89.7	0	163.6	-78	-171.2	179	178.9	0	110.7

Retrieved 292 of 292 residues in 783.3 ms (Link to these results)

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