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Paired mesoderm homeobox protein 1

Master transcription factor of stromal fibroblasts for myofibroblastic lineage progression. Orchestrates the functional drift of fibroblasts into myofibroblastic phenotype via TGF-beta signaling by remodeling a super-enhancer landscape. Through this function, plays an essential role in wound healing process¹. Acts as a transcriptional regulator of muscle creatine kinase (MCK) and so has a role in the establishment of diverse mesodermal muscle types. The protein binds to an A/T-rich element in the muscle creatine enhancer (By similarity). May play a role in homeostasis and regeneration of bone, white adipose tissue and derm (By similarity). Transcriptional activator, when transfected in fibroblastic or myoblastic cell lines. This activity may be masked by the C-terminal OAR domain. Transcriptional repressor, when transfected in fibroblastic or myoblastic cell lines.

AlphaFold DB , UniProt , Accession P54821, Species HUMAN (Homo sapiens, Human), Gene PRRX1, Length 245 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	48.4	Very low	58.5	Low	231 Å²	231	158.6 Å²	158.6	100%	1.138	83%	0.833	S	S	*	*				0	92.3	0	-67.4	174	152.9	0	0	106.3
2	T	57.3	Low	58	Low	143 Å²	143	158.9 Å²	158.9	88%	0.877	83%	0.827	S	S	*	*				60.7	128	114.6	62.7	0	0	0	0	112.2
3	S	56.1	Low	57.4	Low	94 Å²	94	155.4 Å²	155.4	66%	0.657	82%	0.819	S	S	*	*			cis	-163	136.1	15.4	-177	0	0	0	0	107.9
4	S	60.7	Low	57	Low	120 Å²	120	150.8 Å²	150.8	84%	0.839	82%	0.815	S	S	*	*			trans	-101.7	111.4	168.2	172.6	0	0	0	0	107.6
5	Y	61.3	Low	57	Low	217 Å²	217	152.9 Å²	152.9	85%	0.851	82%	0.824	S	S	*	*			trans	-94.5	100	170.3	-103.5	-90.1	0	0	0	109.3
6	G	60.7	Low	56.5	Low	63 Å²	63	148.3 Å²	148.3	65%	0.649	82%	0.823	S	S	*	*			trans	-77.5	131.3	156.4	0	0	0	0	0	108.8
7	H	65	Low	55.9	Low	189 Å²	189	144.6 Å²	144.6	88%	0.875	83%	0.827	S	S	*	*			trans	-110.3	129.5	164.6	-145.8	-175.6	0	0	0	108.9
8	V	66	Low	55.5	Low	113 Å²	113	148.9 Å²	148.9	69%	0.685	83%	0.828	S	S	*	*			trans	-65.3	135.5	-167.1	169.1	0	0	0	0	111.9	E10	V8-E10 PolarHBondContact O-N 3.35Å
9	L	57.9	Low	55.6	Low	175 Å²	175	148.6 Å²	148.6	92%	0.916	82%	0.823	S	S	*	*			trans	-65.3	112.4	158.4	-103.9	88.7	0	0	0	108.7
10	E	55.1	Low	55.5	Low	183 Å²	183	148 Å²	148	86%	0.855	82%	0.819	S	S	*	*			trans	-107.8	103.3	165.1	-168.2	144.3	107.8	0	0	110.7	V8	V8-E10 PolarHBondContact O-N 3.35Å
11	R	54.7	Low	55.4	Low	217 Å²	217	145.2 Å²	145.2	82%	0.819	81%	0.809	S	S	*	*			trans	-33.3	142.5	148.6	-87.5	-174	-176.7	174.3	1.1	111.9
12	Q	52.5	Low	55.4	Low	162 Å²	162	140.8 Å²	140.8	76%	0.757	80%	0.798	S	S	*	*			cis	-166.6	164.5	40.9	-86.1	-132.1	30.6	0	0	111.2
13	P	51.1	Low	55.2	Low	113 Å²	113	137.3 Å²	137.3	73%	0.734	79%	0.79	S	S	*	*			trans	-95.6	147.6	176.1	37.2	-29.3	0	0	0	112.5
14	A	51.2	Low	54.9	Low	91 Å²	91	138 Å²	138	75%	0.752	79%	0.787	S	S	*	*			trans	149.6	103.8	144.8	0	0	0	0	0	111.4
15	L	57.6	Low	54.3	Low	182 Å²	182	138.4 Å²	138.4	95%	0.953	78%	0.779	S	S	*	*			trans	-158.9	112.8	146.9	-68.7	-173.9	0	0	0	104.4
16	G	48.7	Very low	53.8	Low	79 Å²	79	134.4 Å²	134.4	81%	0.814	77%	0.772	S	S	*	*				107.8	105.1	78.8	0	0	0	0	0	107.7
17	G	45.9	Very low	53.4	Low	86 Å²	86	136.1 Å²	136.1	89%	0.887	77%	0.77	S	S	*	*			trans	-66.4	149	-171.2	0	0	0	0	0	114.2
18	R	49.5	Very low	52.7	Low	223 Å²	223	132.5 Å²	132.5	84%	0.842	76%	0.757	S	S	*	*			trans	-166.3	120	164	-167.3	169.7	155.6	-174.8	-6.5	111.2
19	L	56	Low	51.9	Low	142 Å²	142	133 Å²	133	74%	0.743	75%	0.752	S	S	*	*			trans	41.7	121.3	145.3	-62	160.5	0	0	0	118.6
20	D	53.3	Low	51.7	Low	137 Å²	137	127.6 Å²	127.6	73%	0.733	73%	0.732	S	S	*	*				152.1	142.5	96.9	-160.2	-108.9	0	0	0	112.6
21	S	53.3	Low	51.6	Low	89 Å²	89	126.6 Å²	126.6	62%	0.622	73%	0.725	S	S	*	*			trans	74.9	117.8	157.5	-82.7	0	0	0	0	121.6	G23	S21-G23 VanDerWaalsContact C-N 3.34Å; S21-G23 PolarHBondContact O-N 2.98Å
22	P	50.4	Low	51.6	Low	139 Å²	139	123.6 Å²	123.6	90%	0.903	72%	0.718	S	S	*	*			trans	-71.6	90	158	31.2	-30.5	0	0	0	109.5	N24	P22-N24 PolarHBondContact O-N 3.05Å
23	G	52	Low	51.9	Low	69 Å²	69	122.4 Å²	122.4	71%	0.711	72%	0.717	S	S	*	*			trans	-73.4	107.7	174.9	0	0	0	0	0	112.6	S21	S21-G23 VanDerWaalsContact C-N 3.34Å; S21-G23 PolarHBondContact O-N 2.98Å
24	N	49.8	Very low	52.7	Low	110 Å²	110	121.4 Å²	121.4	59%	0.588	70%	0.701	S	S	*	*			trans	54.5	69.1	137.4	-155.7	-26.8	0	0	0	117.1	P22 T27	P22-N24 PolarHBondContact O-N 3.05Å; N24-T27 PolarHBondContact ND2-OG1 3.36Å; N24-T27 VanDerWaalsContact OD1-CB 3.28Å; N24-T27 WeakPolarHBondContact OD1-CB 3.48Å; N24-T27 PolarHBondContact OD1-N 3.28Å; N24-T27 PolarHBondContact OD1-OG1 3.26Å
25	L	47.9	Very low	53.6	Low	127 Å²	127	119 Å²	119	67%	0.665	68%	0.679	S	S	*	*	S	Bend	trans	-85	-14.4	165.8	-170.1	56.4	0	0	0	112.6	T27	L25-T27 PolarHBondContact O-N 3.13Å
26	D	50.4	Low	54.5	Low	134 Å²	134	110.5 Å²	110.5	72%	0.717	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-16.9	-174.6	-64.8	-65.4	0	0	0	114.9	L28	D26-L28 VanDerWaalsContact C-N 3.32Å; D26-L28 PolarHBondContact O-N 3.23Å
27	T	53.6	Low	55.6	Low	98 Å²	98	108.2 Å²	108.2	60%	0.601	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-18.4	176.2	-59	0	0	0	0	113.1	N24 L25	N24-T27 PolarHBondContact ND2-OG1 3.36Å; N24-T27 VanDerWaalsContact OD1-CB 3.28Å; N24-T27 WeakPolarHBondContact OD1-CB 3.48Å; N24-T27 PolarHBondContact OD1-N 3.28Å; N24-T27 PolarHBondContact OD1-OG1 3.26Å; L25-T27 PolarHBondContact O-N 3.13Å
28	L	50.6	Low	56.6	Low	114 Å²	114	109.5 Å²	109.5	60%	0.597	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-18.4	-178.8	-80.4	165.1	0	0	0	113.9	D26 K31	D26-L28 VanDerWaalsContact C-N 3.32Å; D26-L28 PolarHBondContact O-N 3.23Å; L28-K31 HydrophobicContact CD2-CD 4.48Å
29	Q	47.2	Very low	57.6	Low	124 Å²	124	100.9 Å²	100.9	58%	0.579	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-84.6	-15.8	178.4	-67.6	-157.6	3.1	0	0	114.4	K31	Q29-K31 PolarHBondContact O-N 3.45Å
30	A	53.8	Low	58.2	Low	61 Å²	61	95.3 Å²	95.3	50%	0.504	53%	0.53	S	S	.	.	G	3₁₀ helix	trans	-68.8	5.2	176.3	0	0	0	0	0	114.6	K32 R115	A30-K32 VanDerWaalsContact C-N 3.3Å; A30-R115 PolarHBondContact O-NH2 3.46Å
31	K	54.2	Low	58.6	Low	161 Å²	161	93.6 Å²	93.6	70%	0.7	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-88.4	6.7	178.9	-65.1	167.3	82.9	176.2	0	113.1	L28 Q29 N33	L28-K31 HydrophobicContact CD2-CD 4.48Å; Q29-K31 PolarHBondContact O-N 3.45Å; K31-N33 PolarHBondContact O-N 3.48Å
32	K	54.3	Low	58.6	Low	155 Å²	155	95.2 Å²	95.2	67%	0.674	52%	0.522	S	S	*	.	S	Bend	trans	-87.6	98.4	176.4	-64.9	178.1	-178.3	175.5	0	109.2	A30	A30-K32 VanDerWaalsContact C-N 3.3Å
33	N	59.9	Low	58.6	Low	137 Å²	137	94 Å²	94	73%	0.733	50%	0.504	S	S	*	.			trans	70.2	99	171.9	-50	-40.1	0	0	0	116.2	K31 S35	K31-N33 PolarHBondContact O-N 3.48Å; N33-S35 PolarHBondContact O-N 3.26Å
34	F	65.9	Low	58.4	Low	91 Å²	91	99.9 Å²	99.9	40%	0.399	51%	0.513	S	S	.	.			trans	-70.5	94.1	168.6	-177	-119.6	0	0	0	109.7	V112 R115 T116 V123	F34-V112 HydrophobicContact CZ-CG1 4.49Å; F34-R115 HydrophobicContact CD2-CG 4.13Å; F34-R115 HydrophobicContact CE2-CB 4.26Å; F34-R115 HydrophobicContact CE2-CG 3.8Å; F34-T116 HydrophobicContact CE1-CG2 3.9Å; F34-T116 HydrophobicContact CE2-CG2 3.82Å; F34-T116 HydrophobicContact CZ-CG2 3.23Å; F34-V123 HydrophobicContact CD1-CG1 4.3Å; F34-V123 HydrophobicContact CD1-CG2 3.49Å; F34-V123 VanDerWaalsContact CD1-CG2 3.49Å; F34-V123 HydrophobicContact CE1-CB 3.8Å; F34-V123 HydrophobicContact CE1-CG1 3.31Å; F34-V123 HydrophobicContact CE1-CG2 3.24Å; F34-V123 HydrophobicContact CZ-CG1 3.61Å; F34-V123 HydrophobicContact CZ-CG2 4.34Å
35	S	72	Confident	58.2	Low	41 Å²	41	98.9 Å²	98.9	29%	0.287	52%	0.52	S	S	.	.			trans	-119.3	134.1	171.7	175.5	0	0	0	0	109.8	N33 S37 H38 L39	N33-S35 PolarHBondContact O-N 3.26Å; S35-S37 PolarHBondContact O-N 2.65Å; S35-S37 PolarHBondContact OG-N 3.43Å; S35-S37 PolarHBondContact OG-OG 2.96Å; S35-H38 PolarHBondContact O-N 3.46Å; S35-L39 PolarHBondContact O-N 3.13Å
36	V	74.7	Confident	58	Low	4 Å²	4	95.8 Å²	95.8	2%	0.024	52%	0.518	C	S	.	.	H	α-helix	trans	-63.3	-28	177	179.6	0	0	0	0	110.8	L39 L40 V123 D126 L127	V36-L39 PolarHBondContact O-N 2.81Å; V36-L40 HydrophobicContact CG1-CD1 3.99Å; V36-L40 HydrophobicContact CG1-CG 3.98Å; V36-L40 WeakPolarHBondContact O-CG 3.33Å; V36-L40 PolarHBondContact O-N 3.34Å; V36-V123 HydrophobicContact CG2-CB 4.33Å; V36-V123 HydrophobicContact CG2-CG1 3.51Å; V36-D126 HydrophobicContact CB-CB 4.49Å; V36-D126 WeakPolarHBondContact CB-OD2 3.41Å; V36-D126 HydrophobicContact CG2-CB 4.33Å; V36-L127 HydrophobicContact CG1-CB 4.2Å; V36-L127 HydrophobicContact CG1-CD1 3.95Å
37	S	71.7	Confident	57.8	Low	30 Å²	30	97.1 Å²	97.1	21%	0.21	53%	0.526	C	S	.	.	H	α-helix	trans	-55	-58	174.8	-39.8	0	0	0	0	110.6	S35 L39 L40 D41 R130	S35-S37 PolarHBondContact O-N 2.65Å; S35-S37 PolarHBondContact OG-N 3.43Å; S35-S37 PolarHBondContact OG-OG 2.96Å; S37-L39 PolarHBondContact O-N 3.23Å; S37-L39 VanDerWaalsContact O-N 3.15Å; S37-L40 PolarHBondContact O-N 3.26Å; S37-D41 VanDerWaalsContact C-OD2 3.28Å; S37-D41 WeakPolarHBondContact CB-OD2 3.26Å; S37-D41 WeakPolarHBondContact O-CB 3.45Å; S37-D41 PolarHBondContact O-N 2.89Å; S37-R130 PolarHBondContact OG-NH2 3.24Å
38	H	69	Low	57.6	Low	114 Å²	114	100.3 Å²	100.3	53%	0.528	54%	0.536	S	S	.	.	H	α-helix	trans	-57.3	-38.9	179.8	-60.7	113.3	0	0	0	111.8	S35 L40 L42	S35-H38 PolarHBondContact O-N 3.46Å; H38-L40 VanDerWaalsContact C-N 3.31Å; H38-L40 PolarHBondContact O-N 3.47Å; H38-L42 HydrophobicContact CB-CD1 4.27Å; H38-L42 WeakPolarHBondContact O-CB 3.28Å; H38-L42 WeakPolarHBondContact O-CD1 3.06Å; H38-L42 PolarHBondContact O-N 3.46Å; H38-L42 VanDerWaalsContact O-N 3.16Å
39	L	69.3	Low	57.3	Low	41 Å²	41	102 Å²	102	22%	0.215	55%	0.55	C	S	.	*	H	α-helix	trans	-71.2	-27.9	-179	-161.8	65.7	0	0	0	113.8	S35 V36 S37 R111 V112 R115	S35-L39 PolarHBondContact O-N 3.13Å; V36-L39 PolarHBondContact O-N 2.81Å; S37-L39 PolarHBondContact O-N 3.23Å; S37-L39 VanDerWaalsContact O-N 3.15Å; L39-R111 WeakPolarHBondContact CD2-O 3.47Å; L39-R111 HydrophobicContact CG-CB 4.38Å; L39-V112 HydrophobicContact CD2-CB 4.01Å; L39-V112 HydrophobicContact CD2-CG2 3.66Å; L39-R115 HydrophobicContact CD1-CB 4.26Å; L39-R115 HydrophobicContact CD2-CB 3.93Å
40	L	69.3	Low	57	Low	25 Å²	25	101.2 Å²	101.2	13%	0.131	57%	0.565	C	S	.	*	H	α-helix	trans	-89.8	-29.5	176.3	-58.7	-167.7	0	0	0	113.6	V36 S37 H38 A108 R111 L127 R130	V36-L40 HydrophobicContact CG1-CD1 3.99Å; V36-L40 HydrophobicContact CG1-CG 3.98Å; V36-L40 WeakPolarHBondContact O-CG 3.33Å; V36-L40 PolarHBondContact O-N 3.34Å; S37-L40 PolarHBondContact O-N 3.26Å; H38-L40 VanDerWaalsContact C-N 3.31Å; H38-L40 PolarHBondContact O-N 3.47Å; L40-A108 HydrophobicContact CD1-CB 4.31Å; L40-A108 HydrophobicContact CD2-CB 3.72Å; L40-R111 VanDerWaalsContact CA-NH1 3.29Å; L40-R111 PolarHBondContact O-NH1 3.47Å; L40-L127 HydrophobicContact CD1-CD1 4.13Å; L40-R130 HydrophobicContact CD1-CB 3.94Å; L40-R130 HydrophobicContact CD1-CG 4.35Å
41	D	61.3	Low	56.4	Low	101 Å²	101	102.4 Å²	102.4	54%	0.54	58%	0.575	S	S	.	*	H	α-helix	trans	-84.3	-18.4	-175.5	-59.3	-24	0	0	0	112.6	S37 E43	S37-D41 VanDerWaalsContact C-OD2 3.28Å; S37-D41 WeakPolarHBondContact CB-OD2 3.26Å; S37-D41 WeakPolarHBondContact O-CB 3.45Å; S37-D41 PolarHBondContact O-N 2.89Å; D41-E43 PolarHBondContact O-N 2.83Å
42	L	53.8	Low	55.7	Low	124 Å²	124	103.9 Å²	103.9	65%	0.649	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-65.7	-1.6	176.1	-102	107.5	0	0	0	114.6	H38 E44	H38-L42 HydrophobicContact CB-CD1 4.27Å; H38-L42 WeakPolarHBondContact O-CB 3.28Å; H38-L42 WeakPolarHBondContact O-CD1 3.06Å; H38-L42 PolarHBondContact O-N 3.46Å; H38-L42 VanDerWaalsContact O-N 3.16Å; L42-E44 VanDerWaalsContact C-N 3.32Å; L42-E44 PolarHBondContact O-N 3.43Å
43	E	48.8	Very low	55.3	Low	112 Å²	112	101.1 Å²	101.1	52%	0.523	59%	0.59	S	S	.	*	G	3₁₀ helix	trans	-77.1	-7.5	177.8	-77.5	-177	150.9	0	0	114.7	D41 R111	D41-E43 PolarHBondContact O-N 2.83Å; E43-R111 WeakPolarHBondContact OE1-CD 3.44Å; E43-R111 IonicContact OE1-CZ 2.81Å; E43-R111 IonicContact OE1-NE 2.86Å; E43-R111 PolarHBondContact OE1-NE 2.97Å; E43-R111 IonicContact OE1-NH1 2.99Å; E43-R111 PolarHBondContact OE1-NH1 3.3Å; E43-R111 IonicContact OE1-NH2 2.71Å; E43-R111 PolarHBondContact OE1-NH2 2.88Å; E43-R111 IonicContact OE2-CZ 3.52Å; E43-R111 IonicContact OE2-NE 2.84Å; E43-R111 IonicContact OE2-NH1 3.03Å; E43-R111 PolarHBondContact OE2-NH1 2.75Å; E43-R111 IonicContact OE2-NH2 3.14Å; E43-R111 PolarHBondContact OE2-NH2 3.42Å
44	E	48.5	Very low	54.5	Low	194 Å²	194	101.8 Å²	101.8	91%	0.907	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-86.5	-12.3	175.4	-152.6	173.9	165.1	0	0	113.5	L42	L42-E44 VanDerWaalsContact C-N 3.32Å; L42-E44 PolarHBondContact O-N 3.43Å
45	A	46	Very low	53.6	Low	89 Å²	89	105.4 Å²	105.4	74%	0.736	61%	0.612	S	S	*	*	S	Bend	trans	-119.9	4.1	-173.8	0	0	0	0	0	115.4
46	G	44.4	Very low	52.2	Low	61 Å²	61	110.5 Å²	110.5	63%	0.629	64%	0.636	S	S	*	*			trans	-98.2	1.2	-172	0	0	0	0	0	116.8	M48	G46-M48 PolarHBondContact O-N 3.36Å
47	D	45.6	Very low	51	Low	163 Å²	163	116.5 Å²	116.5	87%	0.872	67%	0.673	S	S	*	*			trans	-81	56.5	-178.3	-161.2	31.7	0	0	0	111.9
48	M	48.7	Very low	49.5	Very low	165 Å²	165	118.3 Å²	118.3	81%	0.813	70%	0.696	S	S	*	*			trans	-148	120	173.4	-55.2	-173	-171.5	0	0	108.9	G46	G46-M48 PolarHBondContact O-N 3.36Å
49	V	45.8	Very low	48.5	Very low	150 Å²	150	121.8 Å²	121.8	91%	0.909	71%	0.712	S	S	*	*			trans	94.3	78.4	170.4	-163.1	0	0	0	0	116.8
50	A	40.6	Very low	47.5	Very low	106 Å²	106	124.1 Å²	124.1	88%	0.876	74%	0.737	S	S	*	*			trans	-156	81.2	139.8	0	0	0	0	0	109.8
51	A	41.1	Very low	46.2	Very low	87 Å²	87	126.2 Å²	126.2	72%	0.719	77%	0.766	S	S	*	*			trans	-86.4	144.6	173	0	0	0	0	0	111.3
52	Q	38.8	Very low	45.6	Very low	191 Å²	191	133.4 Å²	133.4	89%	0.893	79%	0.785	S	S	*	*			trans	77.8	106.4	156.7	-61.4	177.7	-64.1	0	0	119.2
53	A	45.2	Very low	45	Very low	98 Å²	98	132.9 Å²	132.9	81%	0.81	79%	0.792	S	S	*	*				173.1	134.2	95.5	0	0	0	0	0	113.1
54	D	43.3	Very low	45.2	Very low	150 Å²	150	134.9 Å²	134.9	80%	0.802	81%	0.805	S	S	*	*			trans	79.3	93.4	148.8	-117.8	-119.5	0	0	0	122.2
55	E	48	Very low	45.5	Very low	168 Å²	168	132.3 Å²	132.3	79%	0.785	80%	0.797	S	S	*	*				30.4	123.1	117.1	-53.6	-76.6	108.3	0	0	119.4
56	N	42.5	Very low	45.2	Very low	148 Å²	148	136.3 Å²	136.3	79%	0.791	80%	0.801	S	S	*	*				164.7	100.5	112.4	-162	-9.1	0	0	0	113.2
57	V	48.4	Very low	45.8	Very low	130 Å²	130	138.9 Å²	138.9	79%	0.788	81%	0.809	S	S	*	*			trans	21.1	135.7	139	-168	0	0	0	0	122.1
58	G	42.1	Very low	46	Very low	68 Å²	68	136.6 Å²	136.6	70%	0.701	80%	0.803	S	S	*	*			trans	116.1	95.8	138.2	0	0	0	0	0	114.6
59	E	47	Very low	45.8	Very low	186 Å²	186	132.6 Å²	132.6	87%	0.869	80%	0.804	S	S	*	*				110.6	137.5	60.4	179.4	165.8	146.9	0	0	111.2
60	A	49.2	Very low	45.9	Very low	90 Å²	90	133.4 Å²	133.4	74%	0.744	80%	0.802	S	S	*	*			trans	60.2	108.3	164.4	0	0	0	0	0	117
61	G	40.2	Very low	46.9	Very low	70 Å²	70	135.2 Å²	135.2	72%	0.722	80%	0.803	S	S	*	*				94.3	109.8	52.1	0	0	0	0	0	108.7
62	R	49.8	Very low	47.3	Very low	252 Å²	252	137 Å²	137	95%	0.951	81%	0.81	S	S	*	*			trans	-174	96.5	153.6	-105.2	157.7	167.9	169.8	-1.8	112.5
63	S	41.8	Very low	48	Very low	113 Å²	113	131.9 Å²	131.9	79%	0.79	81%	0.808	S	S	*	*			trans	-64.6	131.9	149.2	173.5	0	0	0	0	109.1
64	L	53.3	Low	48.2	Very low	153 Å²	153	131.8 Å²	131.8	80%	0.801	80%	0.802	S	S	*	*			trans	-161.2	109.3	155.5	-147.8	72.5	0	0	0	113.2
65	L	53.2	Low	48.5	Very low	141 Å²	141	130.9 Å²	130.9	74%	0.738	80%	0.797	S	S	*	*			trans	48.2	105.7	142.4	-80.3	93.8	0	0	0	121.8
66	E	39.4	Very low	49.2	Very low	173 Å²	173	129.9 Å²	129.9	81%	0.808	80%	0.802	S	S	*	*				11.1	122.8	107.2	-163.6	170.5	126.3	0	0	119
67	S	57.7	Low	49.3	Very low	115 Å²	115	128.1 Å²	128.1	80%	0.804	80%	0.799	S	S	*	*			trans	-171.4	121.5	144.6	-81.1	0	0	0	0	111.2
68	P	49.2	Very low	49.3	Very low	115 Å²	115	130.3 Å²	130.3	75%	0.747	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-94.9	116.6	168.3	25.3	-12.3	0	0	0	111
69	G	45.7	Very low	49.6	Very low	81 Å²	81	134.7 Å²	134.7	84%	0.835	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-82.5	117.1	174.9	0	0	0	0	0	112.2
70	L	48.2	Very low	49.4	Very low	167 Å²	167	132.4 Å²	132.4	87%	0.874	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-78.8	134.7	171.3	-55.1	166.3	0	0	0	109.3
71	T	60.2	Low	49.1	Very low	144 Å²	144	134.8 Å²	134.8	88%	0.883	80%	0.796	S	S	*	*			trans	-128	109.6	159.8	56.9	0	0	0	0	109.3
72	S	49.8	Very low	49.1	Very low	125 Å²	125	137 Å²	137	87%	0.874	79%	0.792	S	S	*	*			trans	-70.1	150.3	174.4	-175.9	0	0	0	0	111.7
73	G	55	Low	48.6	Very low	82 Å²	82	133.1 Å²	133.1	85%	0.845	79%	0.785	S	S	*	*			trans	-173.3	76.5	175	0	0	0	0	0	111.5
74	S	48	Very low	48.7	Very low	97 Å²	97	135.2 Å²	135.2	68%	0.678	79%	0.786	S	S	*	*			trans	-98.8	139	159	-173.8	0	0	0	0	105.8
75	D	49.9	Very low	48.1	Very low	131 Å²	131	134.1 Å²	134.1	70%	0.701	78%	0.781	S	S	*	*				-175	141.7	76.1	-107	-84.5	0	0	0	110.5
76	T	62.2	Low	47.5	Very low	146 Å²	146	133.3 Å²	133.3	90%	0.896	79%	0.787	S	S	*	*			trans	-174.4	118.2	144.4	14.3	0	0	0	0	109.4
77	P	44.7	Very low	47.8	Very low	111 Å²	111	132.3 Å²	132.3	72%	0.721	78%	0.783	S	S	*	*			trans	-107.4	127.1	176	35.1	-24.4	0	0	0	111.6
78	Q	48.2	Very low	47.4	Very low	176 Å²	176	134.8 Å²	134.8	82%	0.822	78%	0.782	S	S	*	*			trans	-169	103.2	160.5	-139.7	160.1	-90.4	0	0	109
79	Q	49.6	Very low	47.2	Very low	160 Å²	160	138.7 Å²	138.7	75%	0.748	79%	0.787	S	S	*	*				71.4	115.1	101	-77.5	179.1	-29.1	0	0	115.6
80	D	41.9	Very low	47.7	Very low	138 Å²	138	144.4 Å²	144.4	74%	0.738	79%	0.788	S	S	*	*			trans	70.6	136.5	135.2	-60.2	-44.2	0	0	0	121.6
81	N	43.4	Very low	48.1	Very low	140 Å²	140	146.8 Å²	146.8	75%	0.749	79%	0.792	S	S	*	*			trans	85.5	116.6	157.5	-81.5	-9.4	0	0	0	120.6
82	D	40.5	Very low	48.4	Very low	117 Å²	117	151.3 Å²	151.3	63%	0.626	79%	0.793	S	S	*	*			trans	72.8	120.4	133.1	-69	-60.2	0	0	0	119.7
83	Q	37.8	Very low	49.2	Very low	171 Å²	171	155.2 Å²	155.2	80%	0.799	79%	0.794	S	S	*	*			trans	69.5	134.6	158.1	-64.8	156.5	65.7	0	0	114.3
84	L	45.4	Very low	50.2	Low	156 Å²	156	159.4 Å²	159.4	82%	0.817	79%	0.792	S	S	*	*			trans	162.1	91.9	144.4	-83.7	160.3	0	0	0	109.9	S86	L84-S86 PolarHBondContact O-N 3.01Å; L84-S86 VanDerWaalsContact O-N 3.14Å; L84-S86 PolarHBondContact O-OG 3.28Å
85	N	39.5	Very low	51.7	Low	130 Å²	130	164.1 Å²	164.1	70%	0.695	80%	0.795	S	S	*	*				15.5	92.1	122.6	-164.8	27.4	0	0	0	114.6
86	S	41.6	Very low	53.1	Low	125 Å²	125	168.4 Å²	168.4	87%	0.874	80%	0.801	S	S	*	*			trans	-103.2	27.3	172.1	-68.1	0	0	0	0	112.3	L84	L84-S86 PolarHBondContact O-N 3.01Å; L84-S86 VanDerWaalsContact O-N 3.14Å; L84-S86 PolarHBondContact O-OG 3.28Å
87	E	45.2	Very low	54.3	Low	152 Å²	152	168.4 Å²	168.4	71%	0.71	80%	0.795	S	S	*	*			trans	-76.6	139	151.1	-71.7	-70.7	152.7	0	0	107.2
88	E	48.5	Very low	56.4	Low	167 Å²	167	172.8 Å²	172.8	78%	0.78	80%	0.798	S	S	*	*	S	Bend	trans	70.9	84.7	-179.8	-53.8	-174.6	148.7	0	0	117.4
89	K	46.6	Very low	58.5	Low	197 Å²	197	166.5 Å²	166.5	86%	0.857	77%	0.771	S	S	*	*	S	Bend		176.7	130	128.4	-91.5	147.6	-161.5	174.7	0	110.6
90	K	55.9	Low	60.7	Low	200 Å²	200	164.8 Å²	164.8	87%	0.87	77%	0.772	S	S	*	*			trans	94.4	43.7	164.3	-49.8	168.8	-174.1	172.9	0	119.2	R92	K90-R92 VanDerWaalsContact C-N 3.3Å; K90-R92 PolarHBondContact O-N 2.91Å
91	K	56.5	Low	63.2	Low	218 Å²	218	161.2 Å²	161.2	95%	0.948	75%	0.75	S	S	*	*			trans	-89.8	63.7	157.4	-66.9	-174.4	-175.9	173.7	0	111.3	K93	K91-K93 PolarHBondContact O-N 3.08Å; K91-K93 VanDerWaalsContact O-N 3.16Å
92	R	65.8	Low	65.7	Low	239 Å²	239	158.2 Å²	158.2	90%	0.902	73%	0.734	S	S	*	*			trans	-61.8	115.6	162.7	-76.3	-174.8	174.8	-179.8	-0.2	106.7	K90 Q94	K90-R92 VanDerWaalsContact C-N 3.3Å; K90-R92 PolarHBondContact O-N 2.91Å; R92-Q94 PolarHBondContact O-N 3.26Å
93	K	66.5	Low	68.4	Low	207 Å²	207	156.6 Å²	156.6	90%	0.9	73%	0.732	S	S	*	*			trans	-48.2	106.3	-174.7	-145.6	94	166.5	-176	0	110.3	K91 R95	K91-K93 PolarHBondContact O-N 3.08Å; K91-K93 VanDerWaalsContact O-N 3.16Å; K93-R95 PolarHBondContact O-N 3.46Å; K93-R95 VanDerWaalsContact O-N 3.12Å
94	Q	77.5	Confident	71.2	Confident	170 Å²	170	151.9 Å²	151.9	79%	0.794	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-59.2	117	172.9	-175	74.5	18.4	0	0	107.8	R92 R96	R92-Q94 PolarHBondContact O-N 3.26Å; Q94-R96 PolarHBondContact O-N 3.29Å
95	R	79.2	Confident	73.7	Confident	196 Å²	196	145.5 Å²	145.5	74%	0.74	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-64.6	131	176.7	-139.3	177.1	88.6	-146.8	4.5	107.9	K93	K93-R95 PolarHBondContact O-N 3.46Å; K93-R95 VanDerWaalsContact O-N 3.12Å
96	R	79.6	Confident	76.4	Confident	220 Å²	220	142.7 Å²	142.7	83%	0.83	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-54.4	140.6	177.9	-76.8	-176.7	-74.9	-177.1	-4	110.7	Q94 R98	Q94-R96 PolarHBondContact O-N 3.29Å; R96-R98 PolarHBondContact O-N 3.45Å
97	N	85.5	Confident	79	Confident	147 Å²	147	141.7 Å²	141.7	79%	0.786	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-51.8	125.6	174.7	-68.1	-36	0	0	0	110.3
98	R	89.5	Confident	81.5	Confident	203 Å²	203	134.7 Å²	134.7	77%	0.766	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-86.1	134	178.7	-177	179.1	-178.3	175.7	1.4	108.7	R96	R96-R98 PolarHBondContact O-N 3.45Å
99	T	92.1	Very high	83.8	Confident	44 Å²	44	126.7 Å²	126.7	27%	0.27	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-79.4	135.3	174	-56.7	0	0	0	0	110.3	F101 L133 R137	T99-F101 HydrophobicContact CG2-CD1 4.23Å; T99-F101 HydrophobicContact CG2-CE1 3.84Å; T99-F101 HydrophobicContact CG2-CZ 4.19Å; T99-L133 HydrophobicContact CG2-CD2 4.09Å; T99-R137 HydrophobicContact CG2-CG 4.38Å; T99-R137 VanDerWaalsContact OG1-CD 3.25Å; T99-R137 WeakPolarHBondContact OG1-CD 3.4Å; T99-R137 PolarHBondContact OG1-NH1 2.96Å
100	T	95.8	Very high	86.2	Confident	123 Å²	123	119.6 Å²	119.6	76%	0.755	55%	0.55	S	S	*	*			trans	-109.1	126.6	170	49.5	0	0	0	0	108.4
101	F	95	Very high	88.1	Confident	63 Å²	63	112 Å²	112	28%	0.276	52%	0.516	S	S	.	.			trans	-91.2	138.7	177.4	-53.7	-72.5	0	0	0	109.5	T99 Q105 L106 L109 L133 W141	T99-F101 HydrophobicContact CG2-CD1 4.23Å; T99-F101 HydrophobicContact CG2-CE1 3.84Å; T99-F101 HydrophobicContact CG2-CZ 4.19Å; F101-Q105 VanDerWaalsContact CA-OE1 3.27Å; F101-Q105 HydrophobicContact CB-CB 4.44Å; F101-L106 HydrophobicContact CB-CD1 4.45Å; F101-L106 HydrophobicContact CB-CD2 3.75Å; F101-L106 HydrophobicContact CB-CG 3.84Å; F101-L106 HydrophobicContact CD2-CD2 4.21Å; F101-L106 HydrophobicContact CG-CD2 4.16Å; F101-L109 HydrophobicContact CD1-CD1 4.45Å; F101-L133 HydrophobicContact CD1-CD1 3.66Å; F101-L133 HydrophobicContact CD1-CD2 4.01Å; F101-L133 HydrophobicContact CD1-CG 4.49Å; F101-L133 HydrophobicContact CE1-CD1 3.5Å; F101-L133 HydrophobicContact CE1-CD2 3.95Å; F101-L133 HydrophobicContact CE1-CG 4.38Å; F101-W141 AromaticContact CD2-CD1 3.97Å; F101-W141 AromaticContact CE2-CD1 3.65Å; F101-W141 HydrophobicContact CZ-CB 4.23Å; F101-W141 AromaticContact CZ-CD1 3.94Å; F101-W141 HydrophobicContact CZ-CG 4.48Å
102	N	96.6	Very high	90	Very high	77 Å²	77	101.7 Å²	101.7	41%	0.412	47%	0.471	S	S	.	.			trans	-79	173.7	169.7	68.9	27.3	0	0	0	110.5	S104 Q105 L106	N102-S104 PolarHBondContact OD1-N 2.92Å; N102-S104 PolarHBondContact OD1-OG 3.38Å; N102-S104 VanDerWaalsContact OD1-OG 3.04Å; N102-Q105 VanDerWaalsContact CG-CD 3.44Å; N102-Q105 WeakPolarHBondContact OD1-CA 3.29Å; N102-Q105 WeakPolarHBondContact OD1-CB 3.44Å; N102-Q105 VanDerWaalsContact OD1-CD 3.31Å; N102-Q105 WeakPolarHBondContact OD1-CG 3.32Å; N102-Q105 PolarHBondContact OD1-N 3.4Å; N102-Q105 PolarHBondContact OD1-OE1 3.36Å; N102-L106 WeakPolarHBondContact O-CG 3.38Å; N102-L106 PolarHBondContact O-N 3.17Å
103	S	97	Very high	91.5	Very high	84 Å²	84	90.5 Å²	90.5	59%	0.587	43%	0.429	S	S	*	.	H	α-helix	trans	-63.9	-45.6	-177.7	-164.8	0	0	0	0	112.9	Q105 L106 Q107	S103-Q105 PolarHBondContact O-N 3.06Å; S103-L106 WeakPolarHBondContact O-CB 3.41Å; S103-L106 PolarHBondContact O-N 3.17Å; S103-L106 VanDerWaalsContact O-N 3.14Å; S103-Q107 WeakPolarHBondContact O-CG 3.3Å; S103-Q107 PolarHBondContact O-N 3.38Å
104	S	95.9	Very high	92.9	Very high	71 Å²	71	87.6 Å²	87.6	50%	0.497	42%	0.419	S	S	.	.	H	α-helix	trans	-64.8	-38.3	-178.2	55.9	0	0	0	0	112.8	N102 L106 Q107 A108	N102-S104 PolarHBondContact OD1-N 2.92Å; N102-S104 PolarHBondContact OD1-OG 3.38Å; N102-S104 VanDerWaalsContact OD1-OG 3.04Å; S104-L106 VanDerWaalsContact C-N 3.35Å; S104-L106 PolarHBondContact O-N 3.2Å; S104-Q107 PolarHBondContact O-N 3.44Å; S104-A108 PolarHBondContact O-N 2.87Å
105	Q	97.3	Very high	93.6	Very high	22 Å²	22	85.5 Å²	85.5	10%	0.103	40%	0.404	C	S	.	.	H	α-helix	trans	-58.9	-46.3	172	-75	167.3	-16	0	0	110.9	F101 N102 S103 A108 L109 V131	F101-Q105 VanDerWaalsContact CA-OE1 3.27Å; F101-Q105 HydrophobicContact CB-CB 4.44Å; N102-Q105 VanDerWaalsContact CG-CD 3.44Å; N102-Q105 WeakPolarHBondContact OD1-CA 3.29Å; N102-Q105 WeakPolarHBondContact OD1-CB 3.44Å; N102-Q105 VanDerWaalsContact OD1-CD 3.31Å; N102-Q105 WeakPolarHBondContact OD1-CG 3.32Å; N102-Q105 PolarHBondContact OD1-N 3.4Å; N102-Q105 PolarHBondContact OD1-OE1 3.36Å; S103-Q105 PolarHBondContact O-N 3.06Å; Q105-A108 PolarHBondContact O-N 3.15Å; Q105-L109 WeakPolarHBondContact O-CB 3.38Å; Q105-L109 WeakPolarHBondContact O-CD1 3.49Å; Q105-L109 WeakPolarHBondContact O-CG 3.35Å; Q105-L109 PolarHBondContact O-N 3.26Å; Q105-V131 HydrophobicContact CG-CB 4.03Å; Q105-V131 WeakPolarHBondContact CG-O 3.49Å; Q105-V131 PolarHBondContact NE2-O 2.98Å
106	L	97.7	Very high	94.4	Very high	72 Å²	72	78 Å²	78	38%	0.377	38%	0.38	S	S	.	.	H	α-helix	trans	-64.5	-41.9	178.9	-69.3	173.6	0	0	0	111.8	F101 N102 S103 S104 L109 E110	F101-L106 HydrophobicContact CB-CD1 4.45Å; F101-L106 HydrophobicContact CB-CD2 3.75Å; F101-L106 HydrophobicContact CB-CG 3.84Å; F101-L106 HydrophobicContact CD2-CD2 4.21Å; F101-L106 HydrophobicContact CG-CD2 4.16Å; N102-L106 WeakPolarHBondContact O-CG 3.38Å; N102-L106 PolarHBondContact O-N 3.17Å; S103-L106 WeakPolarHBondContact O-CB 3.41Å; S103-L106 PolarHBondContact O-N 3.17Å; S103-L106 VanDerWaalsContact O-N 3.14Å; S104-L106 VanDerWaalsContact C-N 3.35Å; S104-L106 PolarHBondContact O-N 3.2Å; L106-L109 PolarHBondContact O-N 2.9Å; L106-E110 WeakPolarHBondContact O-CB 3.34Å; L106-E110 PolarHBondContact O-N 3Å
107	Q	96.3	Very high	95.2	Very high	103 Å²	103	70.5 Å²	70.5	48%	0.481	35%	0.354	S	S	.	.	H	α-helix	trans	-61.1	-47.1	176.6	-71.7	172.3	-8.1	0	0	111.7	S103 S104 L109 E110 R111	S103-Q107 WeakPolarHBondContact O-CG 3.3Å; S103-Q107 PolarHBondContact O-N 3.38Å; S104-Q107 PolarHBondContact O-N 3.44Å; Q107-L109 PolarHBondContact O-N 3.34Å; Q107-E110 PolarHBondContact O-N 2.75Å; Q107-R111 WeakPolarHBondContact O-CG 3.41Å; Q107-R111 PolarHBondContact O-N 3.39Å; Q107-R111 PolarHBondContact O-NE 2.84Å
108	A	95.9	Very high	95.8	Very high	5 Å²	5	71 Å²	71	4%	0.041	35%	0.346	C	S	.	.	H	α-helix	trans	-62.2	-42.3	176.6	0	0	0	0	0	112.4	L40 S104 Q105 V112 V131	L40-A108 HydrophobicContact CD1-CB 4.31Å; L40-A108 HydrophobicContact CD2-CB 3.72Å; S104-A108 PolarHBondContact O-N 2.87Å; Q105-A108 PolarHBondContact O-N 3.15Å; A108-V112 WeakPolarHBondContact O-CG2 3.46Å; A108-V112 PolarHBondContact O-N 2.9Å; A108-V131 HydrophobicContact CB-CG1 3.61Å
109	L	97.9	Very high	96.1	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-63.7	-40.8	176.2	-72.6	164	0	0	0	111.9	F101 Q105 L106 Q107 V112 F113 L127 L133 V138 W141 F142	F101-L109 HydrophobicContact CD1-CD1 4.45Å; Q105-L109 WeakPolarHBondContact O-CB 3.38Å; Q105-L109 WeakPolarHBondContact O-CD1 3.49Å; Q105-L109 WeakPolarHBondContact O-CG 3.35Å; Q105-L109 PolarHBondContact O-N 3.26Å; L106-L109 PolarHBondContact O-N 2.9Å; Q107-L109 PolarHBondContact O-N 3.34Å; L109-V112 PolarHBondContact O-N 3Å; L109-F113 WeakPolarHBondContact O-CB 3.4Å; L109-F113 PolarHBondContact O-N 2.89Å; L109-L127 HydrophobicContact CD2-CD2 3.75Å; L109-L127 HydrophobicContact CD2-CG 4.34Å; L109-L133 HydrophobicContact CD1-CD1 4.32Å; L109-V138 HydrophobicContact CD2-CG1 4.08Å; L109-V138 HydrophobicContact CD2-CG2 4.3Å; L109-W141 HydrophobicContact CB-CD2 3.97Å; L109-W141 HydrophobicContact CB-CE3 3.94Å; L109-W141 HydrophobicContact CB-CH2 3.62Å; L109-W141 HydrophobicContact CB-CZ2 3.6Å; L109-W141 HydrophobicContact CB-CZ3 3.78Å; L109-W141 HydrophobicContact CD1-CD2 3.87Å; L109-W141 HydrophobicContact CD1-CE3 4.5Å; L109-W141 HydrophobicContact CD1-CG 3.87Å; L109-W141 HydrophobicContact CD2-CD2 4.19Å; L109-W141 HydrophobicContact CD2-CE3 4.04Å; L109-W141 HydrophobicContact CG-CD2 4.25Å; L109-W141 HydrophobicContact CG-CE3 4.39Å; L109-F142 HydrophobicContact CD2-CE2 4.05Å
110	E	97.6	Very high	96.3	Very high	48 Å²	48	64.8 Å²	64.8	22%	0.224	33%	0.326	C	S	.	.	H	α-helix	trans	-69.6	-40.9	179.2	-162.9	65.9	-149.8	0	0	111.9	L106 Q107 V112 F113 E114 R145	L106-E110 WeakPolarHBondContact O-CB 3.34Å; L106-E110 PolarHBondContact O-N 3Å; Q107-E110 PolarHBondContact O-N 2.75Å; E110-V112 VanDerWaalsContact C-N 3.32Å; E110-V112 PolarHBondContact O-N 3.37Å; E110-F113 CarbonylContact O-C 3.5Å; E110-F113 WeakPolarHBondContact O-CA 3.45Å; E110-F113 VanDerWaalsContact O-CB 3.26Å; E110-F113 WeakPolarHBondContact O-CB 3.33Å; E110-F113 PolarHBondContact O-N 2.89Å; E110-E114 WeakPolarHBondContact O-CG 3.48Å; E110-E114 PolarHBondContact O-N 2.89Å; E110-R145 IonicContact OE1-CZ 3.25Å; E110-R145 VanDerWaalsContact OE1-CZ 3.25Å; E110-R145 IonicContact OE1-NE 2.76Å; E110-R145 PolarHBondContact OE1-NE 3.02Å; E110-R145 IonicContact OE1-NH2 2.66Å; E110-R145 PolarHBondContact OE1-NH2 3.35Å; E110-R145 IonicContact OE2-CZ 3.69Å; E110-R145 IonicContact OE2-NE 3.58Å; E110-R145 PolarHBondContact OE2-NE 3.46Å; E110-R145 IonicContact OE2-NH2 3.73Å
111	R	95.5	Very high	96.4	Very high	41 Å²	41	60.6 Å²	60.6	16%	0.155	31%	0.305	C	S	.	.	H	α-helix	trans	-56.1	-45.3	173	-78.3	177.8	-77.4	158.4	-21.5	112.3	L39 L40 E43 Q107 F113 E114 R115	L39-R111 WeakPolarHBondContact CD2-O 3.47Å; L39-R111 HydrophobicContact CG-CB 4.38Å; L40-R111 VanDerWaalsContact CA-NH1 3.29Å; L40-R111 PolarHBondContact O-NH1 3.47Å; E43-R111 WeakPolarHBondContact OE1-CD 3.44Å; E43-R111 IonicContact OE1-CZ 2.81Å; E43-R111 IonicContact OE1-NE 2.86Å; E43-R111 PolarHBondContact OE1-NE 2.97Å; E43-R111 IonicContact OE1-NH1 2.99Å; E43-R111 PolarHBondContact OE1-NH1 3.3Å; E43-R111 IonicContact OE1-NH2 2.71Å; E43-R111 PolarHBondContact OE1-NH2 2.88Å; E43-R111 IonicContact OE2-CZ 3.52Å; E43-R111 IonicContact OE2-NE 2.84Å; E43-R111 IonicContact OE2-NH1 3.03Å; E43-R111 PolarHBondContact OE2-NH1 2.75Å; E43-R111 IonicContact OE2-NH2 3.14Å; E43-R111 PolarHBondContact OE2-NH2 3.42Å; Q107-R111 WeakPolarHBondContact O-CG 3.41Å; Q107-R111 PolarHBondContact O-N 3.39Å; Q107-R111 PolarHBondContact O-NE 2.84Å; R111-F113 VanDerWaalsContact C-N 3.3Å; R111-F113 PolarHBondContact O-N 3.2Å; R111-E114 PolarHBondContact O-N 3Å; R111-R115 PolarHBondContact O-N 3.47Å
112	V	95.8	Very high	96.4	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-62	-40.1	173.3	-179.3	0	0	0	0	111.6	F34 L39 A108 L109 E110 R115 T116 P119 V123 L127 F142	F34-V112 HydrophobicContact CZ-CG1 4.49Å; L39-V112 HydrophobicContact CD2-CB 4.01Å; L39-V112 HydrophobicContact CD2-CG2 3.66Å; A108-V112 WeakPolarHBondContact O-CG2 3.46Å; A108-V112 PolarHBondContact O-N 2.9Å; L109-V112 PolarHBondContact O-N 3Å; E110-V112 VanDerWaalsContact C-N 3.32Å; E110-V112 PolarHBondContact O-N 3.37Å; V112-R115 PolarHBondContact O-N 3.24Å; V112-T116 PolarHBondContact O-N 3.37Å; V112-T116 VanDerWaalsContact O-O 3.11Å; V112-P119 HydrophobicContact CG1-CB 4.48Å; V112-V123 HydrophobicContact CG1-CG1 4.5Å; V112-L127 HydrophobicContact CB-CD2 4.03Å; V112-L127 HydrophobicContact CG1-CD2 4.16Å; V112-L127 HydrophobicContact CG2-CD1 3.84Å; V112-L127 HydrophobicContact CG2-CD2 3.73Å; V112-L127 HydrophobicContact CG2-CG 4.36Å; V112-F142 HydrophobicContact CB-CZ 3.99Å; V112-F142 HydrophobicContact CG1-CE1 4.38Å; V112-F142 HydrophobicContact CG1-CZ 3.68Å
113	F	96.9	Very high	96.4	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.018	30%	0.303	C	S	.	.	H	α-helix	trans	-62.2	-43.1	178	-170.3	-97.6	0	0	0	112.4	L109 E110 R111 R115 T116 H117 W141 F142 R145 R146 F149	L109-F113 WeakPolarHBondContact O-CB 3.4Å; L109-F113 PolarHBondContact O-N 2.89Å; E110-F113 CarbonylContact O-C 3.5Å; E110-F113 WeakPolarHBondContact O-CA 3.45Å; E110-F113 VanDerWaalsContact O-CB 3.26Å; E110-F113 WeakPolarHBondContact O-CB 3.33Å; E110-F113 PolarHBondContact O-N 2.89Å; R111-F113 VanDerWaalsContact C-N 3.3Å; R111-F113 PolarHBondContact O-N 3.2Å; F113-R115 PolarHBondContact O-N 3.32Å; F113-T116 WeakPolarHBondContact CA-O 3.26Å; F113-T116 CarbonylContact O-C 3.56Å; F113-T116 VanDerWaalsContact O-C 3.23Å; F113-T116 PolarHBondContact O-N 3.27Å; F113-H117 AromaticContact CD1-CD2 3.54Å; F113-H117 AromaticContact CD1-NE2 3.81Å; F113-H117 HydrophobicContact CD2-CB 4.46Å; F113-H117 AromaticContact CD2-CD2 3.76Å; F113-H117 AromaticContact CE1-CD2 3.19Å; F113-H117 WeakPolarHBondContact CE1-CD2 3.38Å; F113-H117 AromaticContact CE1-NE2 3.29Å; F113-H117 VanDerWaalsContact CE1-NE2 3.29Å; F113-H117 WeakPolarHBondContact CE1-NE2 3.19Å; F113-H117 HydrophobicContact CE2-CB 3.92Å; F113-H117 AromaticContact CE2-CD2 3.44Å; F113-H117 VanDerWaalsContact CE2-CD2 3.44Å; F113-H117 WeakPolarHBondContact CE2-CD2 3.42Å; F113-H117 AromaticContact CE2-CG 3.88Å; F113-H117 AromaticContact CG-CD2 3.8Å; F113-H117 HydrophobicContact CZ-CB 4.24Å; F113-H117 AromaticContact CZ-CD2 3.13Å; F113-H117 WeakPolarHBondContact CZ-CD2 3.13Å; F113-H117 AromaticContact CZ-CG 3.72Å; F113-H117 AromaticContact CZ-NE2 3.59Å; F113-H117 PolarHBondContact O-CD2 3.27Å; F113-W141 HydrophobicContact CB-CH2 4.2Å; F113-W141 HydrophobicContact CB-CZ3 4.22Å; F113-W141 HydrophobicContact CD2-CZ3 4.35Å; F113-F142 HydrophobicContact CB-CE1 4.12Å; F113-F142 AromaticContact CD2-CD1 3.89Å; F113-F142 HydrophobicContact CD2-CD1 3.89Å; F113-F142 AromaticContact CD2-CE1 3.84Å; F113-F142 HydrophobicContact CD2-CE1 3.84Å; F113-F142 HydrophobicContact CG-CE1 4.5Å; F113-R145 HydrophobicContact CD1-CG 4.01Å; F113-R145 HydrophobicContact CD2-CB 4.19Å; F113-R145 HydrophobicContact CD2-CG 3.52Å; F113-R145 HydrophobicContact CE1-CG 3.92Å; F113-R145 HydrophobicContact CE2-CB 4Å; F113-R145 HydrophobicContact CE2-CG 3.43Å; F113-R145 VanDerWaalsContact CE2-CG 3.43Å; F113-R145 HydrophobicContact CG-CG 3.82Å; F113-R145 HydrophobicContact CZ-CG 3.65Å; F113-R146 HydrophobicContact CE2-CG 3.98Å; F113-F149 HydrophobicContact CE1-CD2 4.3Å; F113-F149 HydrophobicContact CZ-CB 4.21Å; F113-F149 HydrophobicContact CZ-CD2 4.42Å; F113-F149 HydrophobicContact CZ-CG 4.39Å
114	E	96.2	Very high	96.4	Very high	147 Å²	147	59 Å²	59	69%	0.687	28%	0.283	S	S	*	.	H	α-helix	trans	-58.8	-35.1	176	-70.2	171.7	175.8	0	0	112.2	E110 R111	E110-E114 WeakPolarHBondContact O-CG 3.48Å; E110-E114 PolarHBondContact O-N 2.89Å; R111-E114 PolarHBondContact O-N 3Å
115	R	93.1	Very high	96.5	Very high	126 Å²	126	60.5 Å²	60.5	48%	0.475	28%	0.282	S	S	.	.	H	α-helix	trans	-78.9	-41.9	176.5	-163.2	70.1	-179.1	118	-6.7	112.7	A30 F34 L39 R111 V112 F113	A30-R115 PolarHBondContact O-NH2 3.46Å; F34-R115 HydrophobicContact CD2-CG 4.13Å; F34-R115 HydrophobicContact CE2-CB 4.26Å; F34-R115 HydrophobicContact CE2-CG 3.8Å; L39-R115 HydrophobicContact CD1-CB 4.26Å; L39-R115 HydrophobicContact CD2-CB 3.93Å; R111-R115 PolarHBondContact O-N 3.47Å; V112-R115 PolarHBondContact O-N 3.24Å; F113-R115 PolarHBondContact O-N 3.32Å
116	T	95.4	Very high	96.4	Very high	39 Å²	39	60.2 Å²	60.2	24%	0.239	28%	0.281	C	S	.	.			trans	-154.2	130.3	175.2	-178.8	0	0	0	0	112.5	F34 V112 F113 Y118 P119	F34-T116 HydrophobicContact CE1-CG2 3.9Å; F34-T116 HydrophobicContact CE2-CG2 3.82Å; F34-T116 HydrophobicContact CZ-CG2 3.23Å; V112-T116 PolarHBondContact O-N 3.37Å; V112-T116 VanDerWaalsContact O-O 3.11Å; F113-T116 WeakPolarHBondContact CA-O 3.26Å; F113-T116 CarbonylContact O-C 3.56Å; F113-T116 VanDerWaalsContact O-C 3.23Å; F113-T116 PolarHBondContact O-N 3.27Å; T116-Y118 PolarHBondContact O-N 3.23Å; T116-Y118 PolarHBondContact OG1-N 2.87Å; T116-Y118 VanDerWaalsContact OG1-N 3.15Å; T116-Y118 PolarHBondContact OG1-O 3.3Å; T116-P119 HydrophobicContact CG2-CB 4.21Å
117	H	96.6	Very high	96.4	Very high	62 Å²	62	56.8 Å²	56.8	29%	0.287	26%	0.263	S	S	.	.	S	Bend	trans	-75	-16.1	172.5	-56.9	152.8	0	0	0	113.3	F113 R146 F149	F113-H117 AromaticContact CD1-CD2 3.54Å; F113-H117 AromaticContact CD1-NE2 3.81Å; F113-H117 HydrophobicContact CD2-CB 4.46Å; F113-H117 AromaticContact CD2-CD2 3.76Å; F113-H117 AromaticContact CE1-CD2 3.19Å; F113-H117 WeakPolarHBondContact CE1-CD2 3.38Å; F113-H117 AromaticContact CE1-NE2 3.29Å; F113-H117 VanDerWaalsContact CE1-NE2 3.29Å; F113-H117 WeakPolarHBondContact CE1-NE2 3.19Å; F113-H117 HydrophobicContact CE2-CB 3.92Å; F113-H117 AromaticContact CE2-CD2 3.44Å; F113-H117 VanDerWaalsContact CE2-CD2 3.44Å; F113-H117 WeakPolarHBondContact CE2-CD2 3.42Å; F113-H117 AromaticContact CE2-CG 3.88Å; F113-H117 AromaticContact CG-CD2 3.8Å; F113-H117 HydrophobicContact CZ-CB 4.24Å; F113-H117 AromaticContact CZ-CD2 3.13Å; F113-H117 WeakPolarHBondContact CZ-CD2 3.13Å; F113-H117 AromaticContact CZ-CG 3.72Å; F113-H117 AromaticContact CZ-NE2 3.59Å; F113-H117 PolarHBondContact O-CD2 3.27Å; H117-R146 HydrophobicContact CB-CG 4.33Å; H117-R146 WeakPolarHBondContact O-CD 3.44Å; H117-R146 PolarHBondContact O-NH1 3.01Å; H117-F149 AromaticContact CE1-CZ 3.93Å
118	Y	97.8	Very high	96.4	Very high	157 Å²	157	52.1 Å²	52.1	62%	0.616	24%	0.242	S	C	*	.	S	Bend	trans	-127.7	71.3	-175.5	-62.9	-84.3	0	0	0	110.4	T116 R146	T116-Y118 PolarHBondContact O-N 3.23Å; T116-Y118 PolarHBondContact OG1-N 2.87Å; T116-Y118 VanDerWaalsContact OG1-N 3.15Å; T116-Y118 PolarHBondContact OG1-O 3.3Å; Y118-R146 VanDerWaalsContact CE1-NE 3.34Å; Y118-R146 VanDerWaalsContact CZ-CD 3.44Å
119	P	95.6	Very high	96.5	Very high	5 Å²	5	59 Å²	59	3%	0.032	27%	0.267	C	S	.	.			trans	-67.6	139.2	175.4	29.2	-36	0	0	0	110.7	V112 T116 V123 R124 F142	V112-P119 HydrophobicContact CG1-CB 4.48Å; T116-P119 HydrophobicContact CG2-CB 4.21Å; P119-V123 HydrophobicContact CB-CB 4.17Å; P119-V123 HydrophobicContact CB-CG1 3.74Å; P119-R124 HydrophobicContact CB-CG 4.01Å; P119-R124 HydrophobicContact CG-CG 3.77Å; P119-R124 PolarHBondContact O-NH1 3.33Å; P119-F142 HydrophobicContact CG-CD1 3.73Å; P119-F142 HydrophobicContact CG-CD2 3.99Å; P119-F142 HydrophobicContact CG-CE1 3.65Å; P119-F142 HydrophobicContact CG-CE2 3.93Å; P119-F142 HydrophobicContact CG-CG 3.93Å; P119-F142 HydrophobicContact CG-CZ 3.77Å
120	D	96.6	Very high	96.3	Very high	111 Å²	111	63.4 Å²	63.4	59%	0.594	28%	0.284	S	S	*	.			trans	-69.8	167.5	175.8	-168.5	19.1	0	0	0	112.3	F122 V123 R124	D120-F122 PolarHBondContact O-N 3.45Å; D120-V123 HydrophobicContact CB-CG2 4.46Å; D120-V123 PolarHBondContact O-N 2.88Å; D120-R124 WeakPolarHBondContact O-CG 3.46Å; D120-R124 PolarHBondContact O-N 3.38Å
121	A	96.9	Very high	96.2	Very high	36 Å²	36	61.6 Å²	61.6	30%	0.298	28%	0.276	S	S	.	.	H	α-helix	trans	-52.7	-51	-179	0	0	0	0	0	112.1	V123 R124 E125	A121-V123 VanDerWaalsContact C-N 3.3Å; A121-V123 PolarHBondContact O-N 3.09Å; A121-R124 PolarHBondContact O-N 3.01Å; A121-R124 VanDerWaalsContact O-N 3.15Å; A121-E125 WeakPolarHBondContact O-CG 2.9Å; A121-E125 PolarHBondContact O-N 2.97Å
122	F	95.9	Very high	96.3	Very high	136 Å²	136	66.3 Å²	66.3	60%	0.596	31%	0.305	S	S	*	.	H	α-helix	trans	-58	-41.6	179	178.3	-99	0	0	0	112.8	D120 E125 D126	D120-F122 PolarHBondContact O-N 3.45Å; F122-E125 PolarHBondContact O-N 2.92Å; F122-D126 PolarHBondContact O-N 2.66Å
123	V	95.6	Very high	96.3	Very high	8 Å²	8	67.7 Å²	67.7	5%	0.048	31%	0.312	C	S	.	.	H	α-helix	trans	-68.4	-41.1	-179.5	174.3	0	0	0	0	110	F34 V36 V112 P119 D120 A121 E125 D126 L127	F34-V123 HydrophobicContact CD1-CG1 4.3Å; F34-V123 HydrophobicContact CD1-CG2 3.49Å; F34-V123 VanDerWaalsContact CD1-CG2 3.49Å; F34-V123 HydrophobicContact CE1-CB 3.8Å; F34-V123 HydrophobicContact CE1-CG1 3.31Å; F34-V123 HydrophobicContact CE1-CG2 3.24Å; F34-V123 HydrophobicContact CZ-CG1 3.61Å; F34-V123 HydrophobicContact CZ-CG2 4.34Å; V36-V123 HydrophobicContact CG2-CB 4.33Å; V36-V123 HydrophobicContact CG2-CG1 3.51Å; V112-V123 HydrophobicContact CG1-CG1 4.5Å; P119-V123 HydrophobicContact CB-CB 4.17Å; P119-V123 HydrophobicContact CB-CG1 3.74Å; D120-V123 HydrophobicContact CB-CG2 4.46Å; D120-V123 PolarHBondContact O-N 2.88Å; A121-V123 VanDerWaalsContact C-N 3.3Å; A121-V123 PolarHBondContact O-N 3.09Å; V123-E125 VanDerWaalsContact C-N 3.34Å; V123-D126 PolarHBondContact O-N 3.41Å; V123-L127 VanDerWaalsContact O-CB 3.3Å; V123-L127 WeakPolarHBondContact O-CB 3.46Å; V123-L127 PolarHBondContact O-N 3.16Å
124	R	97.4	Very high	96.3	Very high	46 Å²	46	71.6 Å²	71.6	17%	0.174	34%	0.336	C	S	.	.	H	α-helix	trans	-64.3	-40.4	175.7	-68.9	-166.1	-55.4	-92.2	2.8	111.6	P119 D120 A121 A128 E135 V138	P119-R124 HydrophobicContact CB-CG 4.01Å; P119-R124 HydrophobicContact CG-CG 3.77Å; P119-R124 PolarHBondContact O-NH1 3.33Å; D120-R124 WeakPolarHBondContact O-CG 3.46Å; D120-R124 PolarHBondContact O-N 3.38Å; A121-R124 PolarHBondContact O-N 3.01Å; A121-R124 VanDerWaalsContact O-N 3.15Å; R124-A128 WeakPolarHBondContact O-CB 3.36Å; R124-A128 PolarHBondContact O-N 3.03Å; R124-E135 HydrophobicContact CB-CG 4.1Å; R124-E135 IonicContact CZ-OE1 3.45Å; R124-E135 IonicContact NE-OE1 2.86Å; R124-E135 PolarHBondContact NE-OE1 2.94Å; R124-E135 IonicContact NH2-OE1 3.12Å; R124-E135 PolarHBondContact NH2-OE1 3.41Å; R124-E135 VanDerWaalsContact NH2-OE1 3.12Å; R124-V138 HydrophobicContact CB-CG1 4.24Å; R124-V138 HydrophobicContact CG-CG1 4.22Å
125	E	97.8	Very high	96.4	Very high	102 Å²	102	67.2 Å²	67.2	48%	0.477	32%	0.315	S	S	.	.	H	α-helix	trans	-64.3	-45.2	176.9	-73	174.5	-171.2	0	0	112.1	A121 F122 V123 A128 R129 E135	A121-E125 WeakPolarHBondContact O-CG 2.9Å; A121-E125 PolarHBondContact O-N 2.97Å; F122-E125 PolarHBondContact O-N 2.92Å; V123-E125 VanDerWaalsContact C-N 3.34Å; E125-A128 PolarHBondContact O-N 3.3Å; E125-R129 PolarHBondContact O-N 3.15Å; E125-R129 VanDerWaalsContact O-N 3.09Å; E125-E135 HydrophobicContact CG-CB 4.37Å; E125-E135 HydrophobicContact CG-CG 3.94Å
126	D	96.3	Very high	96.6	Very high	16 Å²	16	63.4 Å²	63.4	9%	0.086	31%	0.311	C	S	.	.	H	α-helix	trans	-64.8	-44	177.1	-166.1	64.9	0	0	0	112.2	V36 F122 V123 A128 R129 R130	V36-D126 HydrophobicContact CB-CB 4.49Å; V36-D126 WeakPolarHBondContact CB-OD2 3.41Å; V36-D126 HydrophobicContact CG2-CB 4.33Å; F122-D126 PolarHBondContact O-N 2.66Å; V123-D126 PolarHBondContact O-N 3.41Å; D126-A128 PolarHBondContact O-N 3.12Å; D126-R129 PolarHBondContact O-N 2.86Å; D126-R129 IonicContact OD1-CZ 3.29Å; D126-R129 IonicContact OD1-NH1 3.04Å; D126-R129 PolarHBondContact OD1-NH1 3.42Å; D126-R129 IonicContact OD1-NH2 3.95Å; D126-R129 PolarHBondContact OD1-NH2 3.37Å; D126-R130 WeakPolarHBondContact O-CG 3.4Å; D126-R130 PolarHBondContact O-N 2.94Å; D126-R130 VanDerWaalsContact O-N 3.09Å; D126-R130 IonicContact OD1-NE 2.93Å; D126-R130 IonicContact OD2-CZ 2.79Å; D126-R130 IonicContact OD2-NE 3.98Å; D126-R130 PolarHBondContact OD2-NE 3.18Å; D126-R130 IonicContact OD2-NH2 2.71Å
127	L	96.6	Very high	96.7	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-60.6	-46.2	175.1	-175.7	59	0	0	0	111.5	V36 L40 L109 V112 V123 R129 R130 V131 V138 F142	V36-L127 HydrophobicContact CG1-CB 4.2Å; V36-L127 HydrophobicContact CG1-CD1 3.95Å; L40-L127 HydrophobicContact CD1-CD1 4.13Å; L109-L127 HydrophobicContact CD2-CD2 3.75Å; L109-L127 HydrophobicContact CD2-CG 4.34Å; V112-L127 HydrophobicContact CB-CD2 4.03Å; V112-L127 HydrophobicContact CG1-CD2 4.16Å; V112-L127 HydrophobicContact CG2-CD1 3.84Å; V112-L127 HydrophobicContact CG2-CD2 3.73Å; V112-L127 HydrophobicContact CG2-CG 4.36Å; V123-L127 VanDerWaalsContact O-CB 3.3Å; V123-L127 WeakPolarHBondContact O-CB 3.46Å; V123-L127 PolarHBondContact O-N 3.16Å; L127-R129 VanDerWaalsContact C-N 3.3Å; L127-R129 PolarHBondContact O-N 3.16Å; L127-R130 PolarHBondContact O-N 3.47Å; L127-R130 VanDerWaalsContact O-N 3.12Å; L127-V131 HydrophobicContact CD1-CG1 3.95Å; L127-V131 WeakPolarHBondContact O-CG2 3.3Å; L127-V131 PolarHBondContact O-N 3.47Å; L127-V138 HydrophobicContact CD2-CG1 4.01Å; L127-F142 HydrophobicContact CD2-CE2 3.9Å; L127-F142 HydrophobicContact CD2-CZ 4.32Å
128	A	97.2	Very high	96.8	Very high	5 Å²	5	62.1 Å²	62.1	4%	0.041	30%	0.299	C	S	.	.	H	α-helix	trans	-56.6	-43.6	178.9	0	0	0	0	0	112.1	R124 E125 D126 N132 L133 V138	R124-A128 WeakPolarHBondContact O-CB 3.36Å; R124-A128 PolarHBondContact O-N 3.03Å; E125-A128 PolarHBondContact O-N 3.3Å; D126-A128 PolarHBondContact O-N 3.12Å; A128-N132 PolarHBondContact O-N 3.01Å; A128-N132 VanDerWaalsContact O-N 3.11Å; A128-L133 CarbonylContact C-O 3.23Å; A128-L133 WeakPolarHBondContact CB-O 3.42Å; A128-L133 PolarHBondContact O-N 3.48Å; A128-L133 VanDerWaalsContact O-O 3.1Å; A128-V138 HydrophobicContact CB-CG2 3.76Å
129	R	96.9	Very high	96.8	Very high	149 Å²	149	58.3 Å²	58.3	56%	0.562	29%	0.287	S	S	*	.	H	α-helix	trans	-60.6	-47.7	174.2	-75.4	-172.6	-78.9	97.1	-3.1	111.8	E125 D126 L127 V131 N132	E125-R129 PolarHBondContact O-N 3.15Å; E125-R129 VanDerWaalsContact O-N 3.09Å; D126-R129 PolarHBondContact O-N 2.86Å; D126-R129 IonicContact OD1-CZ 3.29Å; D126-R129 IonicContact OD1-NH1 3.04Å; D126-R129 PolarHBondContact OD1-NH1 3.42Å; D126-R129 IonicContact OD1-NH2 3.95Å; D126-R129 PolarHBondContact OD1-NH2 3.37Å; L127-R129 VanDerWaalsContact C-N 3.3Å; L127-R129 PolarHBondContact O-N 3.16Å; R129-V131 PolarHBondContact O-N 3.48Å; R129-N132 PolarHBondContact O-N 2.93Å
130	R	95.2	Very high	96.9	Very high	93 Å²	93	61.1 Å²	61.1	35%	0.351	30%	0.304	S	S	.	.	H	α-helix	trans	-64.2	-36.5	-177.6	-70.3	175.4	-177.7	-88.3	-14	113.6	S37 L40 D126 L127	S37-R130 PolarHBondContact OG-NH2 3.24Å; L40-R130 HydrophobicContact CD1-CB 3.94Å; L40-R130 HydrophobicContact CD1-CG 4.35Å; D126-R130 WeakPolarHBondContact O-CG 3.4Å; D126-R130 PolarHBondContact O-N 2.94Å; D126-R130 VanDerWaalsContact O-N 3.09Å; D126-R130 IonicContact OD1-NE 2.93Å; D126-R130 IonicContact OD2-CZ 2.79Å; D126-R130 IonicContact OD2-NE 3.98Å; D126-R130 PolarHBondContact OD2-NE 3.18Å; D126-R130 IonicContact OD2-NH2 2.71Å; L127-R130 PolarHBondContact O-N 3.47Å; L127-R130 VanDerWaalsContact O-N 3.12Å
131	V	95.7	Very high	97	Very high	10 Å²	10	57 Å²	57	6%	0.061	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	10.2	-177.2	-51.6	0	0	0	0	113.5	Q105 A108 L127 R129 L133	Q105-V131 HydrophobicContact CG-CB 4.03Å; Q105-V131 WeakPolarHBondContact CG-O 3.49Å; Q105-V131 PolarHBondContact NE2-O 2.98Å; A108-V131 HydrophobicContact CB-CG1 3.61Å; L127-V131 HydrophobicContact CD1-CG1 3.95Å; L127-V131 WeakPolarHBondContact O-CG2 3.3Å; L127-V131 PolarHBondContact O-N 3.47Å; R129-V131 PolarHBondContact O-N 3.48Å; V131-L133 HydrophobicContact CG2-CB 4.15Å; V131-L133 HydrophobicContact CG2-CD1 3.57Å; V131-L133 HydrophobicContact CG2-CG 3.82Å; V131-L133 PolarHBondContact O-N 2.98Å
132	N	97.3	Very high	97.1	Very high	141 Å²	141	55.3 Å²	55.3	75%	0.754	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	47.5	-179.7	-54.5	96.8	0	0	0	114	A128 R129	A128-N132 PolarHBondContact O-N 3.01Å; A128-N132 VanDerWaalsContact O-N 3.11Å; R129-N132 PolarHBondContact O-N 2.93Å
133	L	96	Very high	97.2	Very high	29 Å²	29	53.4 Å²	53.4	15%	0.152	26%	0.259	C	S	.	.			trans	-121.4	168	174.6	-64.5	174.4	0	0	0	110.5	T99 F101 L109 A128 V131 R137 V138	T99-L133 HydrophobicContact CG2-CD2 4.09Å; F101-L133 HydrophobicContact CD1-CD1 3.66Å; F101-L133 HydrophobicContact CD1-CD2 4.01Å; F101-L133 HydrophobicContact CD1-CG 4.49Å; F101-L133 HydrophobicContact CE1-CD1 3.5Å; F101-L133 HydrophobicContact CE1-CD2 3.95Å; F101-L133 HydrophobicContact CE1-CG 4.38Å; L109-L133 HydrophobicContact CD1-CD1 4.32Å; A128-L133 CarbonylContact C-O 3.23Å; A128-L133 WeakPolarHBondContact CB-O 3.42Å; A128-L133 PolarHBondContact O-N 3.48Å; A128-L133 VanDerWaalsContact O-O 3.1Å; V131-L133 HydrophobicContact CG2-CB 4.15Å; V131-L133 HydrophobicContact CG2-CD1 3.57Å; V131-L133 HydrophobicContact CG2-CG 3.82Å; V131-L133 PolarHBondContact O-N 2.98Å; L133-R137 HydrophobicContact CB-CB 4.35Å; L133-V138 HydrophobicContact CB-CG2 4.25Å; L133-V138 HydrophobicContact CD1-CG2 4.33Å
134	T	97.2	Very high	97.3	Very high	85 Å²	85	58 Å²	58	52%	0.521	28%	0.283	S	S	.	.			trans	-82.5	150.1	166.2	59.4	0	0	0	0	110.4	A136 R137 V138	T134-A136 PolarHBondContact O-N 2.73Å; T134-R137 WeakPolarHBondContact O-CA 3.36Å; T134-R137 WeakPolarHBondContact O-CB 3.38Å; T134-R137 PolarHBondContact O-N 3.41Å; T134-R137 WeakPolarHBondContact OG1-CG 3.22Å; T134-R137 PolarHBondContact OG1-N 3.3Å; T134-V138 PolarHBondContact O-N 2.79Å; T134-V138 VanDerWaalsContact O-N 3.16Å
135	E	98.1	Very high	97.4	Very high	55 Å²	55	58.7 Å²	58.7	26%	0.257	29%	0.286	S	S	.	.	H	α-helix	trans	-51	-42.6	174.7	-176	-80.7	162.5	0	0	110.9	R124 E125 R137 V138 Q139	R124-E135 HydrophobicContact CB-CG 4.1Å; R124-E135 IonicContact CZ-OE1 3.45Å; R124-E135 IonicContact NE-OE1 2.86Å; R124-E135 PolarHBondContact NE-OE1 2.94Å; R124-E135 IonicContact NH2-OE1 3.12Å; R124-E135 PolarHBondContact NH2-OE1 3.41Å; R124-E135 VanDerWaalsContact NH2-OE1 3.12Å; E125-E135 HydrophobicContact CG-CB 4.37Å; E125-E135 HydrophobicContact CG-CG 3.94Å; E135-R137 PolarHBondContact O-N 2.89Å; E135-V138 WeakPolarHBondContact O-CB 3.48Å; E135-V138 PolarHBondContact O-N 3.21Å; E135-V138 VanDerWaalsContact O-N 3.1Å; E135-Q139 WeakPolarHBondContact O-CB 3.35Å; E135-Q139 PolarHBondContact O-N 3.23Å
136	A	97.2	Very high	97.4	Very high	46 Å²	46	56 Å²	56	38%	0.38	27%	0.271	S	S	.	.	H	α-helix	trans	-58.7	-33.8	176.7	0	0	0	0	0	113	T134 V140	T134-A136 PolarHBondContact O-N 2.73Å; A136-V140 WeakPolarHBondContact O-CB 3.38Å; A136-V140 VanDerWaalsContact O-CG2 3.25Å; A136-V140 WeakPolarHBondContact O-CG2 3.48Å; A136-V140 PolarHBondContact O-N 3.31Å
137	R	97.7	Very high	97.5	Very high	75 Å²	75	56.8 Å²	56.8	28%	0.283	28%	0.28	S	S	.	.	H	α-helix	trans	-73	-41.3	175.8	-72.2	-60	129.2	132	-3.3	112.4	T99 L133 T134 E135 Q139 V140 W141	T99-R137 HydrophobicContact CG2-CG 4.38Å; T99-R137 VanDerWaalsContact OG1-CD 3.25Å; T99-R137 WeakPolarHBondContact OG1-CD 3.4Å; T99-R137 PolarHBondContact OG1-NH1 2.96Å; L133-R137 HydrophobicContact CB-CB 4.35Å; T134-R137 WeakPolarHBondContact O-CA 3.36Å; T134-R137 WeakPolarHBondContact O-CB 3.38Å; T134-R137 PolarHBondContact O-N 3.41Å; T134-R137 WeakPolarHBondContact OG1-CG 3.22Å; T134-R137 PolarHBondContact OG1-N 3.3Å; E135-R137 PolarHBondContact O-N 2.89Å; R137-Q139 VanDerWaalsContact C-N 3.34Å; R137-V140 PolarHBondContact O-N 2.81Å; R137-W141 WeakPolarHBondContact O-CB 3.44Å; R137-W141 PolarHBondContact O-N 2.76Å
138	V	97.9	Very high	97.5	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-60.2	-47.5	172.3	176.7	0	0	0	0	109.7	L109 R124 L127 A128 L133 T134 E135 V140 W141 F142	L109-V138 HydrophobicContact CD2-CG1 4.08Å; L109-V138 HydrophobicContact CD2-CG2 4.3Å; R124-V138 HydrophobicContact CB-CG1 4.24Å; R124-V138 HydrophobicContact CG-CG1 4.22Å; L127-V138 HydrophobicContact CD2-CG1 4.01Å; A128-V138 HydrophobicContact CB-CG2 3.76Å; L133-V138 HydrophobicContact CB-CG2 4.25Å; L133-V138 HydrophobicContact CD1-CG2 4.33Å; T134-V138 PolarHBondContact O-N 2.79Å; T134-V138 VanDerWaalsContact O-N 3.16Å; E135-V138 WeakPolarHBondContact O-CB 3.48Å; E135-V138 PolarHBondContact O-N 3.21Å; E135-V138 VanDerWaalsContact O-N 3.1Å; V138-V140 PolarHBondContact O-N 3.03Å; V138-W141 WeakPolarHBondContact O-CB 3.44Å; V138-W141 PolarHBondContact O-N 3.24Å; V138-W141 VanDerWaalsContact O-N 3.11Å; V138-F142 HydrophobicContact CG1-CD2 3.67Å; V138-F142 HydrophobicContact CG1-CE2 3.71Å; V138-F142 WeakPolarHBondContact O-CD2 3.25Å; V138-F142 PolarHBondContact O-N 2.78Å
139	Q	98	Very high	97.5	Very high	76 Å²	76	66.5 Å²	66.5	36%	0.355	32%	0.321	S	S	.	.	H	α-helix	trans	-56.7	-47	176.8	-179	173.1	-101.2	0	0	112.5	E135 R137 W141 F142 Q143	E135-Q139 WeakPolarHBondContact O-CB 3.35Å; E135-Q139 PolarHBondContact O-N 3.23Å; R137-Q139 VanDerWaalsContact C-N 3.34Å; Q139-W141 VanDerWaalsContact C-N 3.35Å; Q139-F142 PolarHBondContact O-N 3.36Å; Q139-Q143 WeakPolarHBondContact O-CG 3.42Å; Q139-Q143 PolarHBondContact O-N 3.49Å; Q139-Q143 PolarHBondContact O-NE2 2.87Å
140	V	98	Very high	97.4	Very high	64 Å²	64	65.7 Å²	65.7	39%	0.388	32%	0.318	S	S	.	.	H	α-helix	trans	-66.1	-38	176.9	170.2	0	0	0	0	111.4	A136 R137 V138 Q143 N144	A136-V140 WeakPolarHBondContact O-CB 3.38Å; A136-V140 VanDerWaalsContact O-CG2 3.25Å; A136-V140 WeakPolarHBondContact O-CG2 3.48Å; A136-V140 PolarHBondContact O-N 3.31Å; R137-V140 PolarHBondContact O-N 2.81Å; V138-V140 PolarHBondContact O-N 3.03Å; V140-Q143 PolarHBondContact O-N 3.36Å; V140-N144 PolarHBondContact O-N 3.29Å; V140-N144 PolarHBondContact O-ND2 3.21Å
141	W	98.4	Very high	97.3	Very high	24 Å²	24	69.7 Å²	69.7	9%	0.091	33%	0.334	C	S	.	.	H	α-helix	trans	-60.9	-50.2	175.4	-175.1	99.3	0	0	0	111	F101 L109 F113 R137 V138 Q139 Q143 N144 R145	F101-W141 AromaticContact CD2-CD1 3.97Å; F101-W141 AromaticContact CE2-CD1 3.65Å; F101-W141 HydrophobicContact CZ-CB 4.23Å; F101-W141 AromaticContact CZ-CD1 3.94Å; F101-W141 HydrophobicContact CZ-CG 4.48Å; L109-W141 HydrophobicContact CB-CD2 3.97Å; L109-W141 HydrophobicContact CB-CE3 3.94Å; L109-W141 HydrophobicContact CB-CH2 3.62Å; L109-W141 HydrophobicContact CB-CZ2 3.6Å; L109-W141 HydrophobicContact CB-CZ3 3.78Å; L109-W141 HydrophobicContact CD1-CD2 3.87Å; L109-W141 HydrophobicContact CD1-CE3 4.5Å; L109-W141 HydrophobicContact CD1-CG 3.87Å; L109-W141 HydrophobicContact CD2-CD2 4.19Å; L109-W141 HydrophobicContact CD2-CE3 4.04Å; L109-W141 HydrophobicContact CG-CD2 4.25Å; L109-W141 HydrophobicContact CG-CE3 4.39Å; F113-W141 HydrophobicContact CB-CH2 4.2Å; F113-W141 HydrophobicContact CB-CZ3 4.22Å; F113-W141 HydrophobicContact CD2-CZ3 4.35Å; R137-W141 WeakPolarHBondContact O-CB 3.44Å; R137-W141 PolarHBondContact O-N 2.76Å; V138-W141 WeakPolarHBondContact O-CB 3.44Å; V138-W141 PolarHBondContact O-N 3.24Å; V138-W141 VanDerWaalsContact O-N 3.11Å; Q139-W141 VanDerWaalsContact C-N 3.35Å; W141-Q143 VanDerWaalsContact C-N 3.33Å; W141-Q143 PolarHBondContact O-N 3.01Å; W141-N144 PolarHBondContact O-N 3.04Å; W141-N144 VanDerWaalsContact O-N 3.16Å; W141-R145 HydrophobicContact CD2-CB 4.48Å; W141-R145 HydrophobicContact CE3-CB 4.12Å; W141-R145 HydrophobicContact CH2-CB 4.07Å; W141-R145 HydrophobicContact CH2-CG 3.74Å; W141-R145 HydrophobicContact CZ2-CB 4.45Å; W141-R145 HydrophobicContact CZ2-CG 4.29Å; W141-R145 HydrophobicContact CZ3-CB 3.9Å; W141-R145 HydrophobicContact CZ3-CG 3.94Å; W141-R145 WeakPolarHBondContact O-CB 3.49Å; W141-R145 PolarHBondContact O-N 3.28Å
142	F	98.6	Very high	97.1	Very high	2 Å²	2	73.6 Å²	73.6	1%	0.009	35%	0.354	C	S	.	.	H	α-helix	trans	-61.8	-38.6	178.1	-89.3	-86.6	0	0	0	112.3	L109 V112 F113 P119 L127 V138 Q139 R145 R146	L109-F142 HydrophobicContact CD2-CE2 4.05Å; V112-F142 HydrophobicContact CB-CZ 3.99Å; V112-F142 HydrophobicContact CG1-CE1 4.38Å; V112-F142 HydrophobicContact CG1-CZ 3.68Å; F113-F142 HydrophobicContact CB-CE1 4.12Å; F113-F142 AromaticContact CD2-CD1 3.89Å; F113-F142 HydrophobicContact CD2-CD1 3.89Å; F113-F142 AromaticContact CD2-CE1 3.84Å; F113-F142 HydrophobicContact CD2-CE1 3.84Å; F113-F142 HydrophobicContact CG-CE1 4.5Å; P119-F142 HydrophobicContact CG-CD1 3.73Å; P119-F142 HydrophobicContact CG-CD2 3.99Å; P119-F142 HydrophobicContact CG-CE1 3.65Å; P119-F142 HydrophobicContact CG-CE2 3.93Å; P119-F142 HydrophobicContact CG-CG 3.93Å; P119-F142 HydrophobicContact CG-CZ 3.77Å; L127-F142 HydrophobicContact CD2-CE2 3.9Å; L127-F142 HydrophobicContact CD2-CZ 4.32Å; V138-F142 HydrophobicContact CG1-CD2 3.67Å; V138-F142 HydrophobicContact CG1-CE2 3.71Å; V138-F142 WeakPolarHBondContact O-CD2 3.25Å; V138-F142 PolarHBondContact O-N 2.78Å; Q139-F142 PolarHBondContact O-N 3.36Å; F142-R145 PolarHBondContact O-N 2.94Å; F142-R146 WeakPolarHBondContact O-CB 3.36Å; F142-R146 WeakPolarHBondContact O-CG 3.16Å; F142-R146 PolarHBondContact O-N 3.2Å
143	Q	98.4	Very high	96.5	Very high	95 Å²	95	71.7 Å²	71.7	44%	0.444	34%	0.34	S	S	.	.	H	α-helix	trans	-60.1	-48.3	173.4	-77.1	179.8	79.8	0	0	112.1	Q139 V140 W141 R146 A147	Q139-Q143 WeakPolarHBondContact O-CG 3.42Å; Q139-Q143 PolarHBondContact O-N 3.49Å; Q139-Q143 PolarHBondContact O-NE2 2.87Å; V140-Q143 PolarHBondContact O-N 3.36Å; W141-Q143 VanDerWaalsContact C-N 3.33Å; W141-Q143 PolarHBondContact O-N 3.01Å; Q143-R146 PolarHBondContact O-N 3.15Å; Q143-A147 WeakPolarHBondContact O-CB 3.48Å; Q143-A147 PolarHBondContact O-N 2.86Å
144	N	98.3	Very high	96.1	Very high	106 Å²	106	79.6 Å²	79.6	57%	0.567	37%	0.368	S	S	*	.	H	α-helix	trans	-65.9	-39.3	178	-73.8	-31	0	0	0	111.9	V140 W141 A147 K148	V140-N144 PolarHBondContact O-N 3.29Å; V140-N144 PolarHBondContact O-ND2 3.21Å; W141-N144 PolarHBondContact O-N 3.04Å; W141-N144 VanDerWaalsContact O-N 3.16Å; N144-A147 WeakPolarHBondContact O-CB 3.43Å; N144-A147 PolarHBondContact O-N 3.38Å; N144-K148 PolarHBondContact O-N 3.2Å
145	R	98.3	Very high	95.5	Very high	59 Å²	59	78 Å²	78	22%	0.223	36%	0.364	C	S	.	.	H	α-helix	trans	-63.7	-45.9	177.6	-172.5	67.9	-173.9	96.5	-4.1	111.2	E110 F113 W141 F142 A147 K148 F149	E110-R145 IonicContact OE1-CZ 3.25Å; E110-R145 VanDerWaalsContact OE1-CZ 3.25Å; E110-R145 IonicContact OE1-NE 2.76Å; E110-R145 PolarHBondContact OE1-NE 3.02Å; E110-R145 IonicContact OE1-NH2 2.66Å; E110-R145 PolarHBondContact OE1-NH2 3.35Å; E110-R145 IonicContact OE2-CZ 3.69Å; E110-R145 IonicContact OE2-NE 3.58Å; E110-R145 PolarHBondContact OE2-NE 3.46Å; E110-R145 IonicContact OE2-NH2 3.73Å; F113-R145 HydrophobicContact CD1-CG 4.01Å; F113-R145 HydrophobicContact CD2-CB 4.19Å; F113-R145 HydrophobicContact CD2-CG 3.52Å; F113-R145 HydrophobicContact CE1-CG 3.92Å; F113-R145 HydrophobicContact CE2-CB 4Å; F113-R145 HydrophobicContact CE2-CG 3.43Å; F113-R145 VanDerWaalsContact CE2-CG 3.43Å; F113-R145 HydrophobicContact CG-CG 3.82Å; F113-R145 HydrophobicContact CZ-CG 3.65Å; W141-R145 HydrophobicContact CD2-CB 4.48Å; W141-R145 HydrophobicContact CE3-CB 4.12Å; W141-R145 HydrophobicContact CH2-CB 4.07Å; W141-R145 HydrophobicContact CH2-CG 3.74Å; W141-R145 HydrophobicContact CZ2-CB 4.45Å; W141-R145 HydrophobicContact CZ2-CG 4.29Å; W141-R145 HydrophobicContact CZ3-CB 3.9Å; W141-R145 HydrophobicContact CZ3-CG 3.94Å; W141-R145 WeakPolarHBondContact O-CB 3.49Å; W141-R145 PolarHBondContact O-N 3.28Å; F142-R145 PolarHBondContact O-N 2.94Å; R145-A147 VanDerWaalsContact C-N 3.34Å; R145-A147 PolarHBondContact O-N 3.38Å; R145-K148 PolarHBondContact O-N 3.1Å; R145-F149 WeakPolarHBondContact O-CB 3.34Å; R145-F149 PolarHBondContact O-N 2.79Å
146	R	98.1	Very high	94.7	Very high	46 Å²	46	80.9 Å²	80.9	17%	0.174	38%	0.379	C	S	.	.	H	α-helix	trans	-61.7	-38.8	172	-72.9	-165.1	-60.8	-90.2	2.7	112.5	F113 H117 Y118 F142 Q143 F149 R150	F113-R146 HydrophobicContact CE2-CG 3.98Å; H117-R146 HydrophobicContact CB-CG 4.33Å; H117-R146 WeakPolarHBondContact O-CD 3.44Å; H117-R146 PolarHBondContact O-NH1 3.01Å; Y118-R146 VanDerWaalsContact CE1-NE 3.34Å; Y118-R146 VanDerWaalsContact CZ-CD 3.44Å; F142-R146 WeakPolarHBondContact O-CB 3.36Å; F142-R146 WeakPolarHBondContact O-CG 3.16Å; F142-R146 PolarHBondContact O-N 3.2Å; Q143-R146 PolarHBondContact O-N 3.15Å; R146-F149 PolarHBondContact O-N 3.34Å; R146-R150 WeakPolarHBondContact O-CG 3.35Å; R146-R150 PolarHBondContact O-N 3.39Å
147	A	98	Very high	93.9	Very high	32 Å²	32	83.9 Å²	83.9	26%	0.264	39%	0.388	S	S	.	.	H	α-helix	trans	-64.3	-41.9	176	0	0	0	0	0	111.8	Q143 N144 R145 R151	Q143-A147 WeakPolarHBondContact O-CB 3.48Å; Q143-A147 PolarHBondContact O-N 2.86Å; N144-A147 WeakPolarHBondContact O-CB 3.43Å; N144-A147 PolarHBondContact O-N 3.38Å; R145-A147 VanDerWaalsContact C-N 3.34Å; R145-A147 PolarHBondContact O-N 3.38Å; A147-R151 WeakPolarHBondContact O-CB 3.37Å; A147-R151 PolarHBondContact O-N 2.79Å
148	K	97.3	Very high	93.2	Very high	137 Å²	137	83.1 Å²	83.1	60%	0.596	40%	0.397	S	S	*	.	H	α-helix	trans	-63.7	-44.4	173.7	-170.7	-176.8	-177	-170.2	0	111.2	N144 R145 R151 N152	N144-K148 PolarHBondContact O-N 3.2Å; R145-K148 PolarHBondContact O-N 3.1Å; K148-R151 PolarHBondContact O-N 3.28Å; K148-N152 WeakPolarHBondContact O-CB 3.24Å; K148-N152 PolarHBondContact O-N 2.71Å
149	F	96.1	Very high	92.2	Very high	72 Å²	72	88.8 Å²	88.8	32%	0.316	43%	0.428	S	S	.	.	H	α-helix	trans	-55.3	-53.5	177.2	-177.7	-94.1	0	0	0	111.4	F113 H117 R145 R146 R151 N152 E153	F113-F149 HydrophobicContact CE1-CD2 4.3Å; F113-F149 HydrophobicContact CZ-CB 4.21Å; F113-F149 HydrophobicContact CZ-CD2 4.42Å; F113-F149 HydrophobicContact CZ-CG 4.39Å; H117-F149 AromaticContact CE1-CZ 3.93Å; R145-F149 WeakPolarHBondContact O-CB 3.34Å; R145-F149 PolarHBondContact O-N 2.79Å; R146-F149 PolarHBondContact O-N 3.34Å; F149-R151 VanDerWaalsContact C-N 3.34Å; F149-R151 PolarHBondContact O-N 3.09Å; F149-N152 WeakPolarHBondContact O-CB 3.33Å; F149-N152 PolarHBondContact O-N 3.47Å; F149-N152 VanDerWaalsContact O-N 3.17Å; F149-E153 HydrophobicContact CE1-CG 4.46Å; F149-E153 WeakPolarHBondContact CE1-OE1 3.14Å; F149-E153 VanDerWaalsContact CZ-OE1 3.3Å; F149-E153 WeakPolarHBondContact CZ-OE1 3.36Å; F149-E153 PolarHBondContact O-N 3.09Å
150	R	95.6	Very high	91.1	Very high	132 Å²	132	92 Å²	92	50%	0.498	44%	0.44	S	S	.	.	H	α-helix	trans	-62.8	-36.1	176.3	-66.6	-165.9	-54.5	-86.4	2.4	113.6	R146 N152 R154	R146-R150 WeakPolarHBondContact O-CG 3.35Å; R146-R150 PolarHBondContact O-N 3.39Å; R150-N152 VanDerWaalsContact C-N 3.34Å; R150-R154 PolarHBondContact O-N 2.88Å
151	R	93.1	Very high	89.8	Confident	178 Å²	178	93.8 Å²	93.8	67%	0.672	45%	0.448	S	S	*	.	H	α-helix	trans	-65.7	-39.9	176.5	-174.7	-178.3	-69.8	124.9	-2	111	A147 K148 F149 R154 A155	A147-R151 WeakPolarHBondContact O-CB 3.37Å; A147-R151 PolarHBondContact O-N 2.79Å; K148-R151 PolarHBondContact O-N 3.28Å; F149-R151 VanDerWaalsContact C-N 3.34Å; F149-R151 PolarHBondContact O-N 3.09Å; R151-R154 PolarHBondContact O-N 2.98Å; R151-A155 WeakPolarHBondContact O-CB 3.45Å; R151-A155 PolarHBondContact O-N 2.73Å
152	N	91.1	Very high	88.5	Confident	91 Å²	91	95.3 Å²	95.3	49%	0.487	47%	0.465	S	S	.	.	H	α-helix	trans	-63.9	-44.9	179.4	-167	69.8	0	0	0	111.5	K148 F149 R150 R154 A155 M156	K148-N152 WeakPolarHBondContact O-CB 3.24Å; K148-N152 PolarHBondContact O-N 2.71Å; F149-N152 WeakPolarHBondContact O-CB 3.33Å; F149-N152 PolarHBondContact O-N 3.47Å; F149-N152 VanDerWaalsContact O-N 3.17Å; R150-N152 VanDerWaalsContact C-N 3.34Å; N152-R154 PolarHBondContact O-N 2.85Å; N152-A155 PolarHBondContact O-N 2.97Å; N152-M156 WeakPolarHBondContact O-CG 3.43Å; N152-M156 PolarHBondContact O-N 2.88Å
153	E	86.2	Confident	86.9	Confident	101 Å²	101	98.5 Å²	98.5	47%	0.472	49%	0.488	S	S	.	.	H	α-helix	trans	-58.8	-45.2	174.9	-67.5	178.3	153.2	0	0	112	F149 M156 L157	F149-E153 HydrophobicContact CE1-CG 4.46Å; F149-E153 WeakPolarHBondContact CE1-OE1 3.14Å; F149-E153 VanDerWaalsContact CZ-OE1 3.3Å; F149-E153 WeakPolarHBondContact CZ-OE1 3.36Å; F149-E153 PolarHBondContact O-N 3.09Å; E153-M156 PolarHBondContact O-N 3.11Å; E153-L157 PolarHBondContact O-N 3.12Å
154	R	85.7	Confident	85.2	Confident	196 Å²	196	99.7 Å²	99.7	74%	0.74	50%	0.497	S	S	*	.	H	α-helix	trans	-66.9	-38.2	177.4	-169.5	179.2	-64.8	176.8	-2.5	112.6	R150 R151 N152 M156 L157 A158	R150-R154 PolarHBondContact O-N 2.88Å; R151-R154 PolarHBondContact O-N 2.98Å; N152-R154 PolarHBondContact O-N 2.85Å; R154-M156 VanDerWaalsContact C-N 3.34Å; R154-L157 PolarHBondContact O-N 3.13Å; R154-A158 WeakPolarHBondContact O-CB 3.44Å; R154-A158 PolarHBondContact O-N 2.99Å
155	A	85.9	Confident	83.4	Confident	52 Å²	52	101.2 Å²	101.2	43%	0.43	50%	0.504	S	S	.	.	H	α-helix	trans	-65.1	-39.2	177.1	0	0	0	0	0	111.3	R151 N152 L157 A158 N159	R151-A155 WeakPolarHBondContact O-CB 3.45Å; R151-A155 PolarHBondContact O-N 2.73Å; N152-A155 PolarHBondContact O-N 2.97Å; A155-L157 VanDerWaalsContact C-N 3.34Å; A155-L157 PolarHBondContact O-N 2.97Å; A155-A158 PolarHBondContact O-N 3.47Å; A155-N159 WeakPolarHBondContact O-CB 3.37Å; A155-N159 PolarHBondContact O-N 2.87Å
156	M	81.2	Confident	81.5	Confident	115 Å²	115	106.3 Å²	106.3	57%	0.567	53%	0.528	S	S	*	.	H	α-helix	trans	-62.7	-39.4	174.8	-72.4	-168.2	174.7	0	0	112.3	N152 E153 R154 K160	N152-M156 WeakPolarHBondContact O-CG 3.43Å; N152-M156 PolarHBondContact O-N 2.88Å; E153-M156 PolarHBondContact O-N 3.11Å; R154-M156 VanDerWaalsContact C-N 3.34Å; M156-K160 WeakPolarHBondContact O-CG 3.48Å; M156-K160 PolarHBondContact O-N 2.98Å
157	L	80.5	Confident	79.6	Confident	109 Å²	109	108 Å²	108	57%	0.571	55%	0.547	S	S	*	.	H	α-helix	trans	-68.5	-41.9	174	-66.8	173	0	0	0	112.2	E153 R154 A155 K160 N161	E153-L157 PolarHBondContact O-N 3.12Å; R154-L157 PolarHBondContact O-N 3.13Å; A155-L157 VanDerWaalsContact C-N 3.34Å; A155-L157 PolarHBondContact O-N 2.97Å; L157-K160 PolarHBondContact O-N 3.36Å; L157-N161 PolarHBondContact O-N 3.49Å; L157-N161 PolarHBondContact O-ND2 2.97Å
158	A	82.1	Confident	77.5	Confident	58 Å²	58	115.5 Å²	115.5	48%	0.479	57%	0.57	S	S	.	*	H	α-helix	trans	-65.8	-39.1	178.1	0	0	0	0	0	112	R154 A155 N161 A162	R154-A158 WeakPolarHBondContact O-CB 3.44Å; R154-A158 PolarHBondContact O-N 2.99Å; A155-A158 PolarHBondContact O-N 3.47Å; A158-N161 PolarHBondContact O-N 2.93Å; A158-A162 WeakPolarHBondContact O-CB 3.35Å; A158-A162 PolarHBondContact O-N 3.49Å
159	N	78.4	Confident	75.6	Confident	120 Å²	120	113.3 Å²	113.3	64%	0.642	57%	0.572	S	S	*	*	H	α-helix	trans	-69.3	-34.3	-179.8	-152.3	52.8	0	0	0	112.1	A155 A162 S163	A155-N159 WeakPolarHBondContact O-CB 3.37Å; A155-N159 PolarHBondContact O-N 2.87Å; N159-A162 PolarHBondContact O-N 3.14Å; N159-S163 WeakPolarHBondContact O-CB 3.5Å; N159-S163 PolarHBondContact O-N 3.22Å
160	K	74.3	Confident	73.6	Confident	143 Å²	143	112.5 Å²	112.5	62%	0.622	58%	0.583	S	S	*	*	H	α-helix	trans	-62	-44.4	171.2	-72.4	175.5	-179.5	-174.1	0	111.7	M156 L157 S163 L164	M156-K160 WeakPolarHBondContact O-CG 3.48Å; M156-K160 PolarHBondContact O-N 2.98Å; L157-K160 PolarHBondContact O-N 3.36Å; K160-S163 PolarHBondContact O-N 3.43Å; K160-L164 WeakPolarHBondContact O-CG 3.42Å; K160-L164 PolarHBondContact O-N 2.71Å; K160-L164 VanDerWaalsContact O-N 3.08Å
161	N	71	Confident	71.6	Confident	101 Å²	101	113.4 Å²	113.4	54%	0.54	60%	0.598	S	S	.	*	H	α-helix	trans	-68.6	-38.4	176.6	-74.7	-74.6	0	0	0	112.5	L157 A158 L164 L165	L157-N161 PolarHBondContact O-N 3.49Å; L157-N161 PolarHBondContact O-ND2 2.97Å; A158-N161 PolarHBondContact O-N 2.93Å; N161-L164 PolarHBondContact O-N 3Å; N161-L165 PolarHBondContact O-N 3.35Å
162	A	70	Confident	69.5	Low	56 Å²	56	109.1 Å²	109.1	46%	0.463	59%	0.591	S	S	.	*	H	α-helix	trans	-65.5	-40.1	175.8	0	0	0	0	0	111.7	A158 N159 L165 K166	A158-A162 WeakPolarHBondContact O-CB 3.35Å; A158-A162 PolarHBondContact O-N 3.49Å; N159-A162 PolarHBondContact O-N 3.14Å; A162-L165 PolarHBondContact O-N 3.4Å; A162-K166 VanDerWaalsContact O-CB 3.26Å; A162-K166 WeakPolarHBondContact O-CB 3.45Å; A162-K166 PolarHBondContact O-N 3.5Å
163	S	65.4	Low	67.5	Low	69 Å²	69	111 Å²	111	48%	0.483	61%	0.606	S	S	.	*	H	α-helix	trans	-63.6	-42.3	174.5	-167.9	0	0	0	0	111.6	N159 K160 K166 S167	N159-S163 WeakPolarHBondContact O-CB 3.5Å; N159-S163 PolarHBondContact O-N 3.22Å; K160-S163 PolarHBondContact O-N 3.43Å; S163-K166 PolarHBondContact O-N 3.44Å; S163-S167 PolarHBondContact O-N 3.01Å; S163-S167 PolarHBondContact O-OG 2.79Å; S163-S167 VanDerWaalsContact O-OG 3.06Å
164	L	62.2	Low	65.6	Low	121 Å²	121	110.8 Å²	110.8	63%	0.634	62%	0.622	S	S	*	*	H	α-helix	trans	-65.1	-40.8	177.4	-75.6	174.8	0	0	0	112.7	K160 N161 K166 Y168	K160-L164 WeakPolarHBondContact O-CG 3.42Å; K160-L164 PolarHBondContact O-N 2.71Å; K160-L164 VanDerWaalsContact O-N 3.08Å; N161-L164 PolarHBondContact O-N 3Å; L164-K166 VanDerWaalsContact C-N 3.33Å; L164-Y168 PolarHBondContact O-N 3.23Å
165	L	61.9	Low	63.9	Low	138 Å²	138	106.8 Å²	106.8	72%	0.723	62%	0.619	S	S	*	*	H	α-helix	trans	-67.1	-35.5	173.8	-116.1	80.5	0	0	0	112.2	N161 A162 Y168 S169	N161-L165 PolarHBondContact O-N 3.35Å; A162-L165 PolarHBondContact O-N 3.4Å; L165-Y168 PolarHBondContact O-N 3.4Å; L165-S169 PolarHBondContact O-N 3.14Å
166	K	57.7	Low	62.2	Low	165 Å²	165	113.1 Å²	113.1	72%	0.717	64%	0.64	S	S	*	*	H	α-helix	trans	-68.8	-39	178.5	-165.3	75.4	178.2	-179.5	0	111.5	A162 S163 L164 Y168 S169	A162-K166 VanDerWaalsContact O-CB 3.26Å; A162-K166 WeakPolarHBondContact O-CB 3.45Å; A162-K166 PolarHBondContact O-N 3.5Å; S163-K166 PolarHBondContact O-N 3.44Å; L164-K166 VanDerWaalsContact C-N 3.33Å; K166-Y168 VanDerWaalsContact C-N 3.34Å; K166-S169 PolarHBondContact O-N 3.01Å
167	S	58	Low	60.9	Low	81 Å²	81	115.4 Å²	115.4	57%	0.566	65%	0.649	S	S	*	*	H	α-helix	trans	-67.4	-31.4	175.8	-61.9	0	0	0	0	112.8	S163	S163-S167 PolarHBondContact O-N 3.01Å; S163-S167 PolarHBondContact O-OG 2.79Å; S163-S167 VanDerWaalsContact O-OG 3.06Å
168	Y	55.1	Low	59.7	Low	190 Å²	190	115 Å²	115	75%	0.745	65%	0.653	S	S	*	*	H	α-helix	trans	-80.6	-17	177.6	-138.8	-95.1	0	0	0	113.8	L164 L165 K166	L164-Y168 PolarHBondContact O-N 3.23Å; L165-Y168 PolarHBondContact O-N 3.4Å; K166-Y168 VanDerWaalsContact C-N 3.34Å
169	S	57.2	Low	58.1	Low	92 Å²	92	120.2 Å²	120.2	64%	0.643	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	-4.3	-177.6	-160.4	0	0	0	0	113.9	L165 K166	L165-S169 PolarHBondContact O-N 3.14Å; K166-S169 PolarHBondContact O-N 3.01Å
170	G	54	Low	57.6	Low	54 Å²	54	120.3 Å²	120.3	56%	0.557	68%	0.676	S	S	*	*	S	Bend	trans	-91.1	-24	-177.2	0	0	0	0	0	115.6
171	D	51.9	Low	56.8	Low	151 Å²	151	119.1 Å²	119.1	81%	0.807	68%	0.682	S	S	*	*	S	Bend	trans	-119.9	8.3	-172.4	-72.7	-56.9	0	0	0	114.4
172	V	50.7	Low	56.3	Low	88 Å²	88	125.6 Å²	125.6	53%	0.533	70%	0.699	S	S	.	*			trans	-126.2	50.3	-179.4	-162.5	0	0	0	0	112
173	T	48.2	Very low	55.8	Low	131 Å²	131	128.5 Å²	128.5	80%	0.804	71%	0.714	S	S	*	*	S	Bend	trans	-116.2	52.1	161	62.6	0	0	0	0	110.2
174	A	47.1	Very low	55.5	Low	96 Å²	96	129.4 Å²	129.4	79%	0.793	73%	0.725	S	S	*	*	S	Bend	trans	-157.7	11.1	171.9	0	0	0	0	0	115.4
175	V	50.2	Low	55.1	Low	112 Å²	112	129.7 Å²	129.7	68%	0.679	73%	0.734	S	S	*	*	S	Bend	trans	-118.3	106.1	178.9	-177.3	0	0	0	0	110.1	Q177	V175-Q177 PolarHBondContact O-N 3.29Å
176	E	48.9	Very low	54.9	Low	185 Å²	185	133.8 Å²	133.8	86%	0.864	74%	0.74	S	S	*	*			trans	-32.4	110.5	166	-172.6	-174	153.1	0	0	112.7
177	Q	54.6	Low	54.5	Low	163 Å²	163	131.7 Å²	131.7	76%	0.762	74%	0.743	S	S	*	*			trans	-84.9	129.4	168.7	-75.9	-79.9	-25.7	0	0	108.7	V175 I179	V175-Q177 PolarHBondContact O-N 3.29Å; Q177-I179 PolarHBondContact O-N 3.28Å
178	P	54.2	Low	54.4	Low	101 Å²	101	133.9 Å²	133.9	66%	0.656	75%	0.753	S	S	*	*			trans	-59.7	130.1	176	-18.5	29.7	0	0	0	110.7	V180	P178-V180 PolarHBondContact O-N 2.89Å
179	I	50.2	Low	53.9	Low	167 Å²	167	131 Å²	131	86%	0.856	75%	0.751	S	S	*	*			trans	-57	111.1	176.4	-119.1	81.4	0	0	0	108.6	Q177	Q177-I179 PolarHBondContact O-N 3.28Å
180	V	67.4	Low	53.4	Low	123 Å²	123	136.8 Å²	136.8	75%	0.745	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-101.7	126.6	166.9	-157.4	0	0	0	0	107.3	P178 R182	P178-V180 PolarHBondContact O-N 2.89Å; V180-R182 PolarHBondContact O-N 3.41Å; V180-R182 VanDerWaalsContact O-N 3.13Å
181	P	57.3	Low	53.3	Low	117 Å²	117	141.3 Å²	141.3	76%	0.76	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-58.9	117.3	-177.9	-24.4	33.4	0	0	0	111.9
182	R	61.2	Low	52.9	Low	238 Å²	238	139.6 Å²	139.6	90%	0.898	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-71.1	126.6	175.6	-173.1	166	-171.8	154.4	1.7	109.9	V180	V180-R182 PolarHBondContact O-N 3.41Å; V180-R182 VanDerWaalsContact O-N 3.13Å
183	P	58.8	Low	52.5	Low	117 Å²	117	145.9 Å²	145.9	76%	0.76	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-63.2	135.3	171.7	-17.9	30.2	0	0	0	110.9
184	A	57.8	Low	52.3	Low	87 Å²	87	141.9 Å²	141.9	72%	0.719	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-55.4	145.4	178.2	0	0	0	0	0	112.8	R186	A184-R186 PolarHBondContact O-N 2.9Å
185	P	54.2	Low	52.2	Low	128 Å²	128	144.3 Å²	144.3	83%	0.831	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-74.3	124.6	179.3	30.1	-31.3	0	0	0	110.4
186	R	58.7	Low	52	Low	223 Å²	223	143.8 Å²	143.8	84%	0.842	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-74.5	145.7	165.5	-64.5	-128.4	175.1	-169	-1.4	109.4	A184 T188	A184-R186 PolarHBondContact O-N 2.9Å; R186-T188 PolarHBondContact O-N 3.12Å; R186-T188 VanDerWaalsContact O-N 3.13Å
187	P	49.7	Very low	52.2	Low	121 Å²	121	140.5 Å²	140.5	79%	0.786	78%	0.78	S	S	*	*			trans	-71.6	109.3	173.3	30.2	-29.2	0	0	0	107.5
188	T	55.2	Low	52.2	Low	127 Å²	127	138.3 Å²	138.3	78%	0.779	78%	0.78	S	S	*	*			trans	-97.4	106.2	168.2	-64.4	0	0	0	0	107	R186	R186-T188 PolarHBondContact O-N 3.12Å; R186-T188 VanDerWaalsContact O-N 3.13Å
189	D	45.2	Very low	51.9	Low	131 Å²	131	143.7 Å²	143.7	70%	0.701	79%	0.789	S	S	*	*			trans	-52.2	144.5	161.6	-63.6	-65.8	0	0	0	110.1
190	Y	46.6	Very low	51.7	Low	212 Å²	212	140.4 Å²	140.4	83%	0.831	78%	0.781	S	S	*	*	S	Bend	trans	80.9	113.4	171.5	-62.9	-86.6	0	0	0	117.7
191	L	50.6	Low	50.6	Low	149 Å²	149	138 Å²	138	78%	0.78	77%	0.773	S	S	*	*			trans	90.4	63.9	157.3	-49	170.4	0	0	0	117.8
192	S	43.8	Very low	49.9	Very low	116 Å²	116	140.8 Å²	140.8	81%	0.811	78%	0.778	S	S	*	*			trans	-88.8	103.5	162.2	-172.3	0	0	0	0	111.1
193	W	42.5	Very low	49	Very low	220 Å²	220	133.2 Å²	133.2	83%	0.833	77%	0.766	S	S	*	*			trans	-90.8	94.8	163.2	-69.5	77.5	0	0	0	107.9
194	G	43.2	Very low	48.1	Very low	47 Å²	47	134.3 Å²	134.3	49%	0.485	77%	0.771	S	S	.	*			trans	160.5	114	172.5	0	0	0	0	0	115.8
195	T	46.9	Very low	47.6	Very low	146 Å²	146	139.7 Å²	139.7	90%	0.896	77%	0.774	S	S	*	*			trans	54.6	100.3	133.2	60.9	0	0	0	0	118.5
196	A	45.8	Very low	46.8	Very low	102 Å²	102	138.8 Å²	138.8	84%	0.843	77%	0.771	S	S	*	*				159.4	110.4	117.1	0	0	0	0	0	109.1
197	S	51.3	Low	46.2	Very low	115 Å²	115	132.6 Å²	132.6	80%	0.804	77%	0.768	S	S	*	*			trans	-130.3	118	160.7	-167.2	0	0	0	0	108
198	P	54.7	Low	46	Very low	117 Å²	117	133.1 Å²	133.1	76%	0.76	77%	0.769	S	S	*	*			trans	-90.2	108.8	170.9	32.6	-23.5	0	0	0	107.9
199	Y	48.1	Very low	45.4	Very low	214 Å²	214	133 Å²	133	84%	0.839	77%	0.772	S	S	*	*			trans	-150.6	110.6	163.3	-139	-100.6	0	0	0	112
200	S	47.1	Very low	45.2	Very low	99 Å²	99	130.4 Å²	130.4	69%	0.692	77%	0.769	S	S	*	*			trans	39	119.7	143.2	-77.1	0	0	0	0	121.8
201	A	43.4	Very low	45.2	Very low	71 Å²	71	128.1 Å²	128.1	59%	0.587	77%	0.771	S	S	*	*				87.4	118.5	123.1	0	0	0	0	0	119.8
202	M	42.1	Very low	44.6	Very low	177 Å²	177	128.2 Å²	128.2	87%	0.872	77%	0.772	S	S	*	*			trans	62.4	109.4	147	72.7	-126.3	151.2	0	0	120.7
203	A	43.8	Very low	44.7	Very low	78 Å²	78	127.7 Å²	127.7	65%	0.645	77%	0.768	S	S	*	*				-177.9	108.8	124.9	0	0	0	0	0	110.5	Y205	A203-Y205 HydrophobicContact CB-CD1 4.39Å; A203-Y205 HydrophobicContact CB-CE1 4.11Å
204	T	39.4	Very low	44.7	Very low	140 Å²	140	124.1 Å²	124.1	86%	0.859	77%	0.774	S	S	*	*			trans	-72.6	117.6	171.4	-38.8	0	0	0	0	109.2
205	Y	48.3	Very low	45	Very low	201 Å²	201	126.2 Å²	126.2	79%	0.788	79%	0.786	S	S	*	*			trans	-137	104.9	155.8	36.2	-96.1	0	0	0	109.1	A203 A207	A203-Y205 HydrophobicContact CB-CD1 4.39Å; A203-Y205 HydrophobicContact CB-CE1 4.11Å; Y205-A207 PolarHBondContact O-N 3.01Å
206	S	36.4	Very low	44.9	Very low	109 Å²	109	127 Å²	127	76%	0.762	78%	0.779	S	S	*	*			trans	-67.7	111.6	172.3	-53.4	0	0	0	0	109
207	A	46.1	Very low	44.9	Very low	93 Å²	93	126.2 Å²	126.2	77%	0.769	78%	0.782	S	S	*	*			trans	-112.1	90.2	166.8	0	0	0	0	0	108.6	Y205 C209	Y205-A207 PolarHBondContact O-N 3.01Å; A207-C209 PolarHBondContact O-N 2.92Å
208	T	44.7	Very low	45.2	Very low	131 Å²	131	126.7 Å²	126.7	80%	0.804	77%	0.774	S	S	*	*			trans	-72	110.6	175.8	-30.8	0	0	0	0	108.9
209	C	43.6	Very low	45.5	Very low	125 Å²	125	126.7 Å²	126.7	85%	0.845	77%	0.767	S	S	*	*			trans	-129	75.4	156.6	61	0	0	0	0	108.5	A207 N211	A207-C209 PolarHBondContact O-N 2.92Å; C209-N211 PolarHBondContact O-N 2.82Å
210	A	40.8	Very low	46.5	Very low	77 Å²	77	123.6 Å²	123.6	64%	0.636	76%	0.762	S	S	*	*			trans	-78.3	110.8	168.3	0	0	0	0	0	108.2
211	N	45.5	Very low	47.5	Very low	163 Å²	163	122.3 Å²	122.3	87%	0.872	76%	0.758	S	S	*	*			trans	-126.5	101.6	154.9	-129	6.8	0	0	0	106.5	C209 S213	C209-N211 PolarHBondContact O-N 2.82Å; N211-S213 PolarHBondContact O-N 3.34Å
212	N	40	Very low	49.1	Very low	152 Å²	152	124.2 Å²	124.2	81%	0.813	76%	0.759	S	S	*	*			trans	-69.9	118.8	-174	-81.2	-11	0	0	0	110.5
213	S	43.9	Very low	51.4	Low	105 Å²	105	118.3 Å²	118.3	73%	0.734	73%	0.734	S	S	*	*			trans	-148.7	103.4	157.3	-68.5	0	0	0	0	107	N211 A215	N211-S213 PolarHBondContact O-N 3.34Å; S213-A215 PolarHBondContact O-N 3.46Å
214	P	43.9	Very low	53.3	Low	145 Å²	145	119.9 Å²	119.9	94%	0.942	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	28.1	-165.4	31.9	-34.5	0	0	0	114.8
215	A	48.9	Very low	55.7	Low	90 Å²	90	115.9 Å²	115.9	74%	0.744	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	0.1	-169	0	0	0	0	0	116.3	S213	S213-A215 PolarHBondContact O-N 3.46Å
216	Q	45.2	Very low	57.9	Low	162 Å²	162	109.3 Å²	109.3	76%	0.757	69%	0.691	S	S	*	*			trans	-136.3	79.5	-172.7	-68	-174.8	-29	0	0	112.9	I218	Q216-I218 HydrophobicContact CB-CD1 4.41Å; Q216-I218 HydrophobicContact CB-CG1 4.47Å; Q216-I218 PolarHBondContact O-N 2.88Å
217	G	46.5	Very low	60.5	Low	87 Å²	87	108.4 Å²	108.4	90%	0.897	68%	0.677	S	S	*	*			trans	-70.9	46.5	167.3	0	0	0	0	0	113.3	N219	G217-N219 PolarHBondContact O-N 2.94Å
218	I	56.9	Low	62.7	Low	125 Å²	125	112.3 Å²	112.3	64%	0.641	67%	0.671	S	S	*	*			trans	-80.8	103.7	175	-58.2	169.6	0	0	0	106.6	Q216 M220	Q216-I218 HydrophobicContact CB-CD1 4.41Å; Q216-I218 HydrophobicContact CB-CG1 4.47Å; Q216-I218 PolarHBondContact O-N 2.88Å; I218-M220 PolarHBondContact O-N 2.96Å
219	N	61.5	Low	64.9	Low	116 Å²	116	111.1 Å²	111.1	62%	0.62	66%	0.66	S	S	*	*			trans	-7.2	96.6	166.4	-94.8	-75	0	0	0	112.7	G217 A221 N222	G217-N219 PolarHBondContact O-N 2.94Å; N219-A221 PolarHBondContact O-N 3.21Å; N219-N222 PolarHBondContact O-N 2.86Å
220	M	68.8	Low	67.1	Low	149 Å²	149	112.3 Å²	112.3	73%	0.734	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-56.4	-26.4	-174.3	-168.3	161.9	-76.4	0	0	111.6	I218 N222 S223 N226	I218-M220 PolarHBondContact O-N 2.96Å; M220-N222 PolarHBondContact O-N 3.48Å; M220-N222 VanDerWaalsContact O-N 3.13Å; M220-S223 VanDerWaalsContact O-CB 3.24Å; M220-S223 WeakPolarHBondContact O-CB 3.43Å; M220-S223 PolarHBondContact O-N 2.9Å; M220-N226 PolarHBondContact O-ND2 3.16Å
221	A	68.3	Low	69.4	Low	73 Å²	73	111.2 Å²	111.2	60%	0.603	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-51.8	-28.7	170.7	0	0	0	0	0	114.7	N219	N219-A221 PolarHBondContact O-N 3.21Å
222	N	77.4	Confident	71.5	Confident	111 Å²	111	111 Å²	111	59%	0.594	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-100.5	4.9	178.6	-70	-44	0	0	0	113.8	N219 M220	N219-N222 PolarHBondContact O-N 2.86Å; M220-N222 PolarHBondContact O-N 3.48Å; M220-N222 VanDerWaalsContact O-N 3.13Å
223	S	89	Confident	73.8	Confident	52 Å²	52	108.9 Å²	108.9	36%	0.364	62%	0.618	S	S	.	*	S	Bend	trans	-60.3	141.4	175.6	176.2	0	0	0	0	110.9	M220 A225 N226 L227	M220-S223 VanDerWaalsContact O-CB 3.24Å; M220-S223 WeakPolarHBondContact O-CB 3.43Å; M220-S223 PolarHBondContact O-N 2.9Å; S223-A225 PolarHBondContact O-N 3.39Å; S223-A225 VanDerWaalsContact O-N 3.09Å; S223-A225 PolarHBondContact OG-N 3.27Å; S223-N226 PolarHBondContact O-N 2.93Å; S223-L227 PolarHBondContact O-N 2.99Å
224	I	85.1	Confident	75.8	Confident	112 Å²	112	110.6 Å²	110.6	57%	0.574	61%	0.61	S	S	*	*	H	α-helix	trans	-52.5	-34.4	175.3	-67.4	169.6	0	0	0	111	R228	I224-R228 HydrophobicContact CG2-CG 4.33Å; I224-R228 VanDerWaalsContact O-CB 3.31Å; I224-R228 WeakPolarHBondContact O-CB 3.45Å; I224-R228 WeakPolarHBondContact O-CG 3.33Å; I224-R228 PolarHBondContact O-N 2.94Å
225	A	89.6	Confident	77.7	Confident	56 Å²	56	106.9 Å²	106.9	46%	0.463	59%	0.587	S	S	.	*	H	α-helix	trans	-62.8	-49.6	176.2	0	0	0	0	0	111.8	S223 R228 L229	S223-A225 PolarHBondContact O-N 3.39Å; S223-A225 VanDerWaalsContact O-N 3.09Å; S223-A225 PolarHBondContact OG-N 3.27Å; A225-R228 PolarHBondContact O-N 3.09Å; A225-L229 WeakPolarHBondContact O-CG 3.41Å; A225-L229 PolarHBondContact O-N 3.36Å
226	N	92.9	Very high	79.4	Confident	63 Å²	63	108.7 Å²	108.7	34%	0.337	58%	0.584	S	S	.	*	H	α-helix	trans	-65.5	-42	177.9	-78	-53.1	0	0	0	112.2	M220 S223 R228 L229 K230	M220-N226 PolarHBondContact O-ND2 3.16Å; S223-N226 PolarHBondContact O-N 2.93Å; N226-R228 VanDerWaalsContact C-N 3.3Å; N226-R228 PolarHBondContact O-N 3.39Å; N226-L229 PolarHBondContact O-N 2.91Å; N226-K230 WeakPolarHBondContact O-CB 3.31Å; N226-K230 PolarHBondContact O-N 3.44Å
227	L	91.7	Very high	80.9	Confident	90 Å²	90	105.5 Å²	105.5	47%	0.471	57%	0.569	S	S	.	*	H	α-helix	trans	-61	-39.3	174.7	-68.2	174.1	0	0	0	111.9	S223 A231	S223-L227 PolarHBondContact O-N 2.99Å; L227-A231 WeakPolarHBondContact O-CB 3.41Å; L227-A231 PolarHBondContact O-N 3.11Å
228	R	92.7	Very high	82.2	Confident	174 Å²	174	111.4 Å²	111.4	66%	0.657	56%	0.564	S	S	*	*	H	α-helix	trans	-66.5	-40.5	174.9	-78.8	174.8	174.9	163.5	0.7	112.4	I224 A225 N226 A231 K232	I224-R228 HydrophobicContact CG2-CG 4.33Å; I224-R228 VanDerWaalsContact O-CB 3.31Å; I224-R228 WeakPolarHBondContact O-CB 3.45Å; I224-R228 WeakPolarHBondContact O-CG 3.33Å; I224-R228 PolarHBondContact O-N 2.94Å; A225-R228 PolarHBondContact O-N 3.09Å; N226-R228 VanDerWaalsContact C-N 3.3Å; N226-R228 PolarHBondContact O-N 3.39Å; R228-A231 PolarHBondContact O-N 3.41Å; R228-K232 WeakPolarHBondContact O-CG 3.25Å; R228-K232 PolarHBondContact O-N 2.88Å
229	L	90.6	Very high	82.7	Confident	106 Å²	106	111.7 Å²	111.7	56%	0.555	57%	0.567	S	S	*	*	H	α-helix	trans	-62.6	-49.4	175.2	-73	170.5	0	0	0	110.6	A225 N226 A231 K232 E233	A225-L229 WeakPolarHBondContact O-CG 3.41Å; A225-L229 PolarHBondContact O-N 3.36Å; N226-L229 PolarHBondContact O-N 2.91Å; L229-A231 VanDerWaalsContact C-N 3.31Å; L229-A231 PolarHBondContact O-N 3.44Å; L229-K232 WeakPolarHBondContact O-CB 3.21Å; L229-K232 PolarHBondContact O-N 3.39Å; L229-K232 VanDerWaalsContact O-N 3.12Å; L229-E233 WeakPolarHBondContact O-CB 3.42Å; L229-E233 PolarHBondContact O-N 2.76Å
230	K	90.2	Very high	82.9	Confident	150 Å²	150	113.2 Å²	113.2	65%	0.652	57%	0.57	S	S	*	*	H	α-helix	trans	-59.3	-39.7	176.7	-170.3	171.8	-175.5	172.4	0	112.7	N226 E233 Y234	N226-K230 WeakPolarHBondContact O-CB 3.31Å; N226-K230 PolarHBondContact O-N 3.44Å; K230-E233 PolarHBondContact O-N 3.04Å; K230-Y234 WeakPolarHBondContact O-CB 2.99Å; K230-Y234 PolarHBondContact O-N 3.33Å
231	A	88.1	Confident	82.2	Confident	55 Å²	55	111.9 Å²	111.9	46%	0.455	57%	0.57	S	S	.	*	H	α-helix	trans	-67.5	-37.3	176.2	0	0	0	0	0	112.9	L227 R228 L229 S235	L227-A231 WeakPolarHBondContact O-CB 3.41Å; L227-A231 PolarHBondContact O-N 3.11Å; R228-A231 PolarHBondContact O-N 3.41Å; L229-A231 VanDerWaalsContact C-N 3.31Å; L229-A231 PolarHBondContact O-N 3.44Å; A231-S235 WeakPolarHBondContact O-CB 3.08Å; A231-S235 PolarHBondContact O-N 3.16Å; A231-S235 PolarHBondContact O-OG 3.01Å
232	K	91.2	Very high	81.9	Confident	157 Å²	157	113.9 Å²	113.9	68%	0.683	58%	0.577	S	S	*	*	H	α-helix	trans	-64.2	-44.8	172.8	-79.2	-179.9	171.5	-173.1	0	111.1	R228 L229 S235 L236	R228-K232 WeakPolarHBondContact O-CG 3.25Å; R228-K232 PolarHBondContact O-N 2.88Å; L229-K232 WeakPolarHBondContact O-CB 3.21Å; L229-K232 PolarHBondContact O-N 3.39Å; L229-K232 VanDerWaalsContact O-N 3.12Å; K232-S235 PolarHBondContact O-N 3.33Å; K232-L236 PolarHBondContact O-N 2.97Å
233	E	86.7	Confident	81.1	Confident	109 Å²	109	115.1 Å²	115.1	51%	0.509	59%	0.589	S	S	.	*	H	α-helix	trans	-59.1	-50.6	176.7	-155.8	-159.1	135.3	0	0	110.9	L229 K230 S235 L236 Q237	L229-E233 WeakPolarHBondContact O-CB 3.42Å; L229-E233 PolarHBondContact O-N 2.76Å; K230-E233 PolarHBondContact O-N 3.04Å; E233-S235 VanDerWaalsContact C-N 3.28Å; E233-S235 PolarHBondContact O-N 2.79Å; E233-L236 WeakPolarHBondContact O-CA 3.49Å; E233-L236 VanDerWaalsContact O-CB 3.3Å; E233-L236 WeakPolarHBondContact O-CB 3.46Å; E233-L236 PolarHBondContact O-N 3.37Å; E233-Q237 VanDerWaalsContact O-CD 3.25Å; E233-Q237 PolarHBondContact O-N 3.27Å; E233-Q237 PolarHBondContact O-OE1 3.38Å; E233-Q237 PolarHBondContact OE1-NE2 3.44Å
234	Y	87.2	Confident	79.9	Confident	140 Å²	140	119.5 Å²	119.5	55%	0.549	61%	0.613	S	S	.	*	H	α-helix	trans	-57.8	-40.1	176.9	-172.6	-93.2	0	0	0	112.7	K230 L236 Q237 R238	K230-Y234 WeakPolarHBondContact O-CB 2.99Å; K230-Y234 PolarHBondContact O-N 3.33Å; Y234-L236 VanDerWaalsContact C-N 3.31Å; Y234-L236 PolarHBondContact O-N 2.98Å; Y234-Q237 PolarHBondContact O-N 3.01Å; Y234-R238 PolarHBondContact O-N 3.16Å; Y234-R238 VanDerWaalsContact O-N 3.14Å
235	S	83.2	Confident	78.2	Confident	68 Å²	68	125.1 Å²	125.1	48%	0.476	64%	0.644	S	S	.	*	H	α-helix	trans	-67	-33.8	176.5	-57.9	0	0	0	0	112	A231 K232 E233 N239	A231-S235 WeakPolarHBondContact O-CB 3.08Å; A231-S235 PolarHBondContact O-N 3.16Å; A231-S235 PolarHBondContact O-OG 3.01Å; K232-S235 PolarHBondContact O-N 3.33Å; E233-S235 VanDerWaalsContact C-N 3.28Å; E233-S235 PolarHBondContact O-N 2.79Å; S235-N239 PolarHBondContact O-ND2 3.29Å
236	L	85	Confident	77.7	Confident	128 Å²	128	128.6 Å²	128.6	67%	0.67	65%	0.653	S	S	*	*	H	α-helix	trans	-68.9	-43.3	176.6	-167.7	66.7	0	0	0	110.9	K232 E233 Y234 N239	K232-L236 PolarHBondContact O-N 2.97Å; E233-L236 WeakPolarHBondContact O-CA 3.49Å; E233-L236 VanDerWaalsContact O-CB 3.3Å; E233-L236 WeakPolarHBondContact O-CB 3.46Å; E233-L236 PolarHBondContact O-N 3.37Å; Y234-L236 VanDerWaalsContact C-N 3.31Å; Y234-L236 PolarHBondContact O-N 2.98Å; L236-N239 PolarHBondContact O-N 2.96Å
237	Q	75.9	Confident	76.9	Confident	95 Å²	95	132 Å²	132	44%	0.444	67%	0.67	S	S	.	*	H	α-helix	trans	-67.2	-36.5	-179.7	-73	134.3	-4.9	0	0	113.4	E233 Y234 N239 Q240	E233-Q237 VanDerWaalsContact O-CD 3.25Å; E233-Q237 PolarHBondContact O-N 3.27Å; E233-Q237 PolarHBondContact O-OE1 3.38Å; E233-Q237 PolarHBondContact OE1-NE2 3.44Å; Y234-Q237 PolarHBondContact O-N 3.01Å; Q237-N239 VanDerWaalsContact C-N 3.3Å; Q237-N239 PolarHBondContact O-N 3.12Å; Q237-Q240 PolarHBondContact O-N 3.27Å
238	R	74.8	Confident	76.1	Confident	211 Å²	211	134.3 Å²	134.3	80%	0.796	68%	0.681	S	S	*	*	H	α-helix	trans	-68.8	-25	178.6	-164.7	-169	177.1	-141.5	-0.3	113.6	Y234 Q240	Y234-R238 PolarHBondContact O-N 3.16Å; Y234-R238 VanDerWaalsContact O-N 3.14Å; R238-Q240 VanDerWaalsContact C-N 3.3Å
239	N	67.5	Low	75.1	Confident	130 Å²	130	132 Å²	132	70%	0.695	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	0.8	179.3	-72.4	-62.3	0	0	0	113.3	S235 L236 Q237 V241	S235-N239 PolarHBondContact O-ND2 3.29Å; L236-N239 PolarHBondContact O-N 2.96Å; Q237-N239 VanDerWaalsContact C-N 3.3Å; Q237-N239 PolarHBondContact O-N 3.12Å; N239-V241 PolarHBondContact O-N 3.31Å; N239-V241 VanDerWaalsContact O-N 3.16Å
240	Q	64	Low	74.1	Confident	149 Å²	149	133.6 Å²	133.6	70%	0.696	69%	0.69	S	S	*	*			trans	-83	91.4	171.9	-56.2	-151.4	105.4	0	0	108.7	Q237 R238 P242	Q237-Q240 PolarHBondContact O-N 3.27Å; R238-Q240 VanDerWaalsContact C-N 3.3Å; Q240-P242 WeakPolarHBondContact O-CD 3.3Å
241	V	55.5	Low	73	Confident	121 Å²	121	132.5 Å²	132.5	73%	0.733	69%	0.693	S	S	*	*			trans	-61.6	124.5	166.5	-175.9	0	0	0	0	106.9	N239 T243	N239-V241 PolarHBondContact O-N 3.31Å; N239-V241 VanDerWaalsContact O-N 3.16Å; V241-T243 PolarHBondContact O-N 3.41Å
242	P	61.6	Low	71.9	Confident	114 Å²	114	138.1 Å²	138.1	74%	0.74	71%	0.71	S	S	*	*			trans	-60.2	111.6	174.3	-21.1	32.4	0	0	0	109.3	Q240 V244	Q240-P242 WeakPolarHBondContact O-CD 3.3Å; P242-V244 PolarHBondContact O-N 3.14Å
243	T	61.2	Low	70.5	Confident	138 Å²	138	136.6 Å²	136.6	85%	0.847	71%	0.712	S	S	*	*			trans	-74	106.6	168.2	56.4	0	0	0	0	106.9	V241	V241-T243 PolarHBondContact O-N 3.41Å
244	V	64.1	Low	69.1	Low	144 Å²	144	138.9 Å²	138.9	87%	0.873	73%	0.729	S	S	*	*			trans	-73.5	126.2	167.7	-63.5	0	0	0	0	108	P242	P242-V244 PolarHBondContact O-N 3.14Å
245	N	49.5	Very low	67.5	Low	229 Å²	229	138.8 Å²	138.8	100%	1.225	75%	0.745	S	S	*	*			trans	-132.8	0	167.8	-169.1	86.1	0	0	0	108.5

Retrieved 245 of 245 residues in 33.1 ms (Link to these results)

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