A0A5K4ENE3_SCHMA Loading...

Phosphodiesterase

AlphaFold DB (A0A3Q0KMA3), UniProt , Accession A0A5K4ENE3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 639 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	31.6	Very low	28.1	Very low	242 Å²	242	146.7 Å²	146.7	100%	1.192	83%	0.826	S	S	*	*				0	124.5	0	-160.9	159.2	164.5	0	0	105.3
2	I	28	Very low	28.2	Very low	126 Å²	126	141.4 Å²	141.4	65%	0.646	83%	0.828	S	S	*	*			trans	-84.4	122.9	-168.1	-65.6	168.5	0	0	0	109	R4	I2-R4 VanDerWaalsContact C-N 3.33Å; I2-R4 HydrophobicContact CG2-CG 4.32Å; I2-R4 PolarHBondContact O-N 3.35Å
3	V	26.1	Very low	27.9	Very low	97 Å²	97	138.2 Å²	138.2	59%	0.588	83%	0.828	S	S	*	*			trans	-60.1	97.5	162.2	177.4	0	0	0	0	107.6	L5	V3-L5 HydrophobicContact CG1-CG 4.31Å; V3-L5 PolarHBondContact O-N 3.07Å
4	R	26.7	Very low	28	Very low	229 Å²	229	138.9 Å²	138.9	86%	0.864	83%	0.834	S	S	*	*			trans	-87.6	92.7	172.4	-104.6	-175.9	175.9	157.7	0.6	108	I2 G6	I2-R4 VanDerWaalsContact C-N 3.33Å; I2-R4 HydrophobicContact CG2-CG 4.32Å; I2-R4 PolarHBondContact O-N 3.35Å; R4-G6 PolarHBondContact O-N 3.14Å
5	L	30.3	Very low	27.8	Very low	148 Å²	148	136.5 Å²	136.5	78%	0.775	84%	0.835	S	S	*	*			trans	-68.4	110.1	161.9	-78.7	161.5	0	0	0	109	V3	V3-L5 HydrophobicContact CG1-CG 4.31Å; V3-L5 PolarHBondContact O-N 3.07Å
6	G	25.8	Very low	27.9	Very low	69 Å²	69	133.7 Å²	133.7	71%	0.711	83%	0.83	S	S	*	*			trans	95.8	91.7	158.5	0	0	0	0	0	117.1	R4	R4-G6 PolarHBondContact O-N 3.14Å
7	R	28.1	Very low	27.9	Very low	240 Å²	240	134.1 Å²	134.1	91%	0.906	83%	0.832	S	S	*	*			trans	-161.5	123.4	134	-120.8	172.4	166.5	-179.2	-4.4	111.6	S9	R7-S9 PolarHBondContact O-N 3.01Å
8	S	26.4	Very low	27.7	Very low	123 Å²	123	132.7 Å²	132.7	86%	0.86	83%	0.828	S	S	*	*			trans	-50	123.9	164.4	54.1	0	0	0	0	110.9
9	S	30.7	Very low	27.7	Very low	113 Å²	113	133.6 Å²	133.6	79%	0.79	83%	0.833	S	S	*	*			trans	-121.9	108.4	166.6	54	0	0	0	0	110.2	R7	R7-S9 PolarHBondContact O-N 3.01Å
10	T	28.8	Very low	27.6	Very low	141 Å²	141	132.8 Å²	132.8	87%	0.865	83%	0.832	S	S	*	*			trans	-64.5	142.6	153.5	46.2	0	0	0	0	109.1
11	G	26.9	Very low	27.7	Very low	86 Å²	86	132.2 Å²	132.2	89%	0.887	83%	0.832	S	S	*	*			trans	-68.3	173.2	-162	0	0	0	0	0	118.1
12	G	28.3	Very low	27.3	Very low	83 Å²	83	125.8 Å²	125.8	86%	0.856	81%	0.812	S	S	*	*			trans	166.2	83.8	173.8	0	0	0	0	0	110.7
13	A	25.4	Very low	27.2	Very low	100 Å²	100	125.2 Å²	125.2	83%	0.826	82%	0.819	S	S	*	*			trans	-81.9	135.7	175.9	0	0	0	0	0	111.4
14	T	29.3	Very low	27.2	Very low	148 Å²	148	126.8 Å²	126.8	91%	0.908	83%	0.829	S	S	*	*			trans	-151.6	136.3	146.5	44.2	0	0	0	0	110.4
15	A	24.9	Very low	27.3	Very low	103 Å²	103	123.8 Å²	123.8	85%	0.851	83%	0.83	S	S	*	*			trans	-96.3	150	-176.8	0	0	0	0	0	112
16	A	29.6	Very low	27	Very low	91 Å²	91	120 Å²	120	75%	0.752	83%	0.826	S	S	*	*			trans	-162.7	104.6	153.3	0	0	0	0	0	112.6
17	T	27.5	Very low	27.1	Very low	140 Å²	140	124.6 Å²	124.6	86%	0.859	83%	0.833	S	S	*	*			trans	42.1	129.9	133.4	42.3	0	0	0	0	123.4
18	S	24.4	Very low	27	Very low	109 Å²	109	119.5 Å²	119.5	76%	0.762	83%	0.828	S	S	*	*			trans	-70.6	147.3	169.6	52	0	0	0	0	116.4
19	T	27.9	Very low	27.1	Very low	151 Å²	151	117.6 Å²	117.6	93%	0.926	82%	0.82	S	S	*	*			trans	-151.5	144.3	141.2	42.1	0	0	0	0	111.4
20	S	24.9	Very low	27	Very low	116 Å²	116	118.7 Å²	118.7	81%	0.811	82%	0.822	S	S	*	*			trans	-92.7	145.4	-175.2	52.9	0	0	0	0	113.9
21	S	29	Very low	27	Very low	121 Å²	121	119.2 Å²	119.2	85%	0.846	82%	0.819	S	S	*	*			trans	-175.6	140.3	133.4	55.1	0	0	0	0	113.2
22	S	23.7	Very low	27	Very low	108 Å²	108	119.5 Å²	119.5	76%	0.755	81%	0.805	S	S	*	*			trans	-52.4	146	178.3	53.9	0	0	0	0	117.9
23	S	26.8	Very low	27	Very low	113 Å²	113	121.4 Å²	121.4	79%	0.79	80%	0.796	S	S	*	*				177.2	127.6	121	45.4	0	0	0	0	112.5
24	T	25.2	Very low	27	Very low	130 Å²	130	122 Å²	122	80%	0.798	79%	0.794	S	S	*	*			trans	-12.5	124.1	155.6	48.2	0	0	0	0	116.8
25	N	28.3	Very low	27	Very low	167 Å²	167	118.8 Å²	118.8	89%	0.893	78%	0.777	S	S	*	*			trans	-166.5	145.5	140.9	-93.1	-26.4	0	0	0	111.5
26	G	25.5	Very low	27.6	Very low	68 Å²	68	118.3 Å²	118.3	70%	0.701	76%	0.763	S	S	*	*			trans	-56.7	148.8	-165	0	0	0	0	0	116.3	T28	G26-T28 PolarHBondContact O-N 3.3Å
27	I	26.4	Very low	27.7	Very low	166 Å²	166	123.9 Å²	123.9	85%	0.851	77%	0.774	S	S	*	*			trans	-70.8	93.1	177.2	-59.8	173.6	0	0	0	108.6
28	T	26.4	Very low	28	Very low	132 Å²	132	120.7 Å²	120.7	81%	0.81	77%	0.769	S	S	*	*			trans	-120.7	70.8	150.5	40.5	0	0	0	0	107.5	G26 V30	G26-T28 PolarHBondContact O-N 3.3Å; T28-V30 PolarHBondContact O-N 2.71Å
29	A	30	Very low	28.9	Very low	83 Å²	83	119.5 Å²	119.5	69%	0.686	76%	0.757	S	S	*	*			trans	-81.5	96.5	168.4	0	0	0	0	0	108.4	L31	A29-L31 PolarHBondContact O-N 2.76Å
30	V	27.4	Very low	30	Very low	137 Å²	137	115 Å²	115	83%	0.83	73%	0.727	S	S	*	*			trans	-66.2	106.9	164.3	176.8	0	0	0	0	107	T28	T28-V30 PolarHBondContact O-N 2.71Å
31	L	29.3	Very low	31.7	Very low	152 Å²	152	111.4 Å²	111.4	80%	0.796	70%	0.699	S	S	*	*			trans	-68	133.6	170.8	-74.2	167.3	0	0	0	109.4	A29	A29-L31 PolarHBondContact O-N 2.76Å
32	P	27.8	Very low	33.4	Very low	91 Å²	91	105.9 Å²	105.9	59%	0.591	66%	0.66	S	S	*	*			trans	-71.5	136.8	179.3	27.5	-30.9	0	0	0	111.5	S34	P32-S34 PolarHBondContact O-N 3.12Å
33	D	27.1	Very low	35.6	Very low	124 Å²	124	102.2 Å²	102.2	66%	0.663	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	34.2	-168.1	-116.9	-15.2	0	0	0	115.5	R53	D33-R53 IonicContact OD1-NH1 3.34Å; D33-R53 PolarHBondContact OD1-NH1 2.92Å; D33-R53 IonicContact OD1-NH2 3.04Å; D33-R53 IonicContact OD2-CZ 2.52Å; D33-R53 IonicContact OD2-NH1 2.66Å; D33-R53 IonicContact OD2-NH2 2.68Å; D33-R53 PolarHBondContact OD2-NH2 3.2Å
34	S	26.1	Very low	37.6	Very low	112 Å²	112	97.7 Å²	97.7	78%	0.783	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144.4	23.8	-175.4	64.2	0	0	0	0	118	P32	P32-S34 PolarHBondContact O-N 3.12Å
35	S	28.3	Very low	39.7	Very low	81 Å²	81	92.1 Å²	92.1	57%	0.566	57%	0.568	S	S	*	*			trans	-141.3	18.8	174.7	58.6	0	0	0	0	116.7	E37	S35-E37 VanDerWaalsContact C-N 3.29Å; S35-E37 PolarHBondContact O-N 3.25Å
36	V	38	Very low	41.9	Very low	92 Å²	92	87.6 Å²	87.6	56%	0.558	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-81	-1.8	-173.6	-169.3	0	0	0	0	113.8	G38	V36-G38 PolarHBondContact O-N 2.74Å; V36-G38 VanDerWaalsContact O-N 3.16Å
37	E	32.2	Very low	44.4	Very low	209 Å²	209	87.9 Å²	87.9	98%	0.977	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-74.4	-5.9	-173.3	-129.6	168	-170.7	0	0	114.7	S35	S35-E37 VanDerWaalsContact C-N 3.29Å; S35-E37 PolarHBondContact O-N 3.25Å
38	G	32.5	Very low	46.7	Very low	73 Å²	73	80.3 Å²	80.3	75%	0.753	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-119.3	2.8	-177	0	0	0	0	0	116.6	V36	V36-G38 PolarHBondContact O-N 2.74Å; V36-G38 VanDerWaalsContact O-N 3.16Å
39	V	43.2	Very low	49.1	Very low	84 Å²	84	77.8 Å²	77.8	51%	0.509	47%	0.474	S	S	.	.			trans	-107	113.2	177.6	-171.9	0	0	0	0	108.6	V41	V39-V41 HydrophobicContact CB-CG2 4.17Å; V39-V41 HydrophobicContact CG1-CG2 3.65Å; V39-V41 PolarHBondContact O-N 3.19Å
40	I	51	Low	51.6	Low	57 Å²	57	76.7 Å²	76.7	29%	0.292	46%	0.462	S	S	.	.			trans	-73.8	81	173.9	-52	178.4	0	0	0	108.4	F126 L129	I40-F126 HydrophobicContact CD1-CD2 4.04Å; I40-F126 HydrophobicContact CD1-CE2 3.79Å; I40-F126 HydrophobicContact CG2-CD2 4.12Å; I40-L129 HydrophobicContact CD1-CD1 4.11Å; I40-L129 HydrophobicContact CG1-CD1 4.04Å; I40-L129 HydrophobicContact CG2-CD1 4.17Å
41	V	61.2	Low	54.2	Low	39 Å²	39	72.2 Å²	72.2	24%	0.236	43%	0.432	C	S	.	.			trans	-83.4	137.8	167.8	-177.1	0	0	0	0	108	V39 A45 Q46 K125	V39-V41 HydrophobicContact CB-CG2 4.17Å; V39-V41 HydrophobicContact CG1-CG2 3.65Å; V39-V41 PolarHBondContact O-N 3.19Å; V41-A45 HydrophobicContact CG1-CB 3.5Å; V41-Q46 HydrophobicContact CB-CG 3.94Å; V41-Q46 HydrophobicContact CG1-CG 3.82Å; V41-K125 PolarHBondContact O-NZ 2.71Å
42	T	65.3	Low	56.5	Low	5 Å²	5	68.4 Å²	68.4	3%	0.031	41%	0.41	C	S	.	.			trans	-56.6	145.5	177.4	70.8	0	0	0	0	109.9	F44 A45 Q46 A122 E485	T42-F44 PolarHBondContact O-N 2.99Å; T42-F44 VanDerWaalsContact O-N 3.12Å; T42-A45 PolarHBondContact O-N 3.05Å; T42-A45 VanDerWaalsContact O-N 3.16Å; T42-A45 WeakPolarHBondContact OG1-CB 3.35Å; T42-A45 PolarHBondContact OG1-N 3.36Å; T42-Q46 PolarHBondContact O-N 3.1Å; T42-Q46 VanDerWaalsContact O-N 3.07Å; T42-A122 HydrophobicContact CG2-CB 3.67Å; T42-E485 WeakPolarHBondContact CB-OE2 3.43Å; T42-E485 WeakPolarHBondContact CG2-OE1 3.31Å; T42-E485 WeakPolarHBondContact CG2-OE2 3.37Å; T42-E485 PolarHBondContact N-OE1 3.04Å; T42-E485 PolarHBondContact OG1-OE2 3.16Å
43	P	69	Low	59.2	Low	31 Å²	31	70.7 Å²	70.7	20%	0.201	41%	0.407	C	S	.	.	H	α-helix	trans	-52	-36.2	176	-24.4	33.3	0	0	0	112	Q46 V47 M121 K125	P43-Q46 WeakPolarHBondContact O-CB 3.23Å; P43-Q46 PolarHBondContact O-N 3.36Å; P43-V47 WeakPolarHBondContact O-CG2 3.28Å; P43-V47 PolarHBondContact O-N 3.11Å; P43-M121 HydrophobicContact CB-CB 4.48Å; P43-M121 HydrophobicContact CG-CB 4.15Å; P43-K125 HydrophobicContact CG-CB 4.09Å; P43-K125 HydrophobicContact CG-CD 3.63Å
44	F	70.3	Confident	62	Low	18 Å²	18	69.6 Å²	69.6	8%	0.079	40%	0.4	C	S	.	.	H	α-helix	trans	-66.2	-47.3	179.4	-168.3	-93.6	0	0	0	112.8	T42 Q46 V47 L48 L109 Q113 V118	T42-F44 PolarHBondContact O-N 2.99Å; T42-F44 VanDerWaalsContact O-N 3.12Å; F44-Q46 VanDerWaalsContact C-N 3.25Å; F44-Q46 PolarHBondContact O-N 3.43Å; F44-V47 WeakPolarHBondContact O-CB 3.41Å; F44-V47 PolarHBondContact O-N 3.44Å; F44-V47 VanDerWaalsContact O-N 3.1Å; F44-L48 HydrophobicContact CD1-CD1 3.78Å; F44-L48 HydrophobicContact CD1-CG 4.23Å; F44-L48 HydrophobicContact CE1-CD1 3.4Å; F44-L48 HydrophobicContact CE1-CG 3.83Å; F44-L48 HydrophobicContact CZ-CD1 4.37Å; F44-L48 HydrophobicContact CZ-CG 4.43Å; F44-L48 PolarHBondContact O-N 3.43Å; F44-L109 HydrophobicContact CE2-CD2 3.9Å; F44-L109 HydrophobicContact CZ-CB 4.01Å; F44-L109 HydrophobicContact CZ-CD2 3.95Å; F44-L109 WeakPolarHBondContact CZ-O 3.5Å; F44-Q113 HydrophobicContact CD1-CB 4.05Å; F44-Q113 HydrophobicContact CD1-CG 3.46Å; F44-Q113 VanDerWaalsContact CD1-CG 3.46Å; F44-Q113 HydrophobicContact CE1-CB 3.51Å; F44-Q113 HydrophobicContact CE1-CG 3.46Å; F44-Q113 VanDerWaalsContact CE1-CG 3.46Å; F44-Q113 HydrophobicContact CZ-CB 4.28Å; F44-V118 HydrophobicContact CB-CB 4.36Å; F44-V118 HydrophobicContact CB-CG1 3.53Å; F44-V118 HydrophobicContact CB-CG2 4.05Å; F44-V118 HydrophobicContact CD1-CG1 4.21Å; F44-V118 HydrophobicContact CD1-CG2 4.08Å; F44-V118 HydrophobicContact CD2-CG2 3.53Å; F44-V118 HydrophobicContact CE1-CG2 4.43Å; F44-V118 HydrophobicContact CE2-CG2 3.95Å; F44-V118 HydrophobicContact CG-CB 4.37Å; F44-V118 HydrophobicContact CG-CG1 3.86Å; F44-V118 HydrophobicContact CG-CG2 3.59Å; F44-V118 HydrophobicContact CZ-CG2 4.37Å
45	A	69.3	Low	64.8	Low	14 Å²	14	67.1 Å²	67.1	12%	0.116	37%	0.374	C	S	.	.	H	α-helix	trans	-61.6	-34.7	174.4	0	0	0	0	0	112	V41 T42 L48 V49 E485	V41-A45 HydrophobicContact CG1-CB 3.5Å; T42-A45 PolarHBondContact O-N 3.05Å; T42-A45 VanDerWaalsContact O-N 3.16Å; T42-A45 WeakPolarHBondContact OG1-CB 3.35Å; T42-A45 PolarHBondContact OG1-N 3.36Å; A45-L48 PolarHBondContact O-N 2.92Å; A45-V49 WeakPolarHBondContact O-CB 3.48Å; A45-V49 VanDerWaalsContact O-CG2 3.28Å; A45-V49 WeakPolarHBondContact O-CG2 3.34Å; A45-V49 PolarHBondContact O-N 3.32Å; A45-E485 VanDerWaalsContact CB-OE2 3.29Å; A45-E485 WeakPolarHBondContact CB-OE2 3.3Å
46	Q	73.1	Confident	67.4	Low	72 Å²	72	66.7 Å²	66.7	34%	0.336	37%	0.365	S	S	.	.	H	α-helix	trans	-64.5	-40.6	172.9	-66.3	-177.9	-34.7	0	0	112.5	V41 T42 P43 F44 S50	V41-Q46 HydrophobicContact CB-CG 3.94Å; V41-Q46 HydrophobicContact CG1-CG 3.82Å; T42-Q46 PolarHBondContact O-N 3.1Å; T42-Q46 VanDerWaalsContact O-N 3.07Å; P43-Q46 WeakPolarHBondContact O-CB 3.23Å; P43-Q46 PolarHBondContact O-N 3.36Å; F44-Q46 VanDerWaalsContact C-N 3.25Å; F44-Q46 PolarHBondContact O-N 3.43Å; Q46-S50 WeakPolarHBondContact O-CB 3.3Å; Q46-S50 PolarHBondContact O-N 3.04Å; Q46-S50 PolarHBondContact O-OG 3.44Å
47	V	78.6	Confident	69.6	Low	74 Å²	74	64.1 Å²	64.1	45%	0.448	35%	0.354	S	S	.	.	H	α-helix	trans	-64.3	-46.5	173.8	170.6	0	0	0	0	110.6	P43 F44 V49 S50 M51	P43-V47 WeakPolarHBondContact O-CG2 3.28Å; P43-V47 PolarHBondContact O-N 3.11Å; F44-V47 WeakPolarHBondContact O-CB 3.41Å; F44-V47 PolarHBondContact O-N 3.44Å; F44-V47 VanDerWaalsContact O-N 3.1Å; V47-V49 PolarHBondContact O-N 3.49Å; V47-S50 WeakPolarHBondContact O-CB 3.49Å; V47-S50 PolarHBondContact O-N 3.14Å; V47-M51 HydrophobicContact CG1-CG 4.38Å; V47-M51 HydrophobicContact CG1-SD 4.19Å; V47-M51 WeakPolarHBondContact O-CG 3.44Å; V47-M51 PolarHBondContact O-N 3.26Å
48	L	74.7	Confident	72.3	Confident	7 Å²	7	56.5 Å²	56.5	4%	0.037	32%	0.317	C	S	.	.	H	α-helix	trans	-58	-49.9	176.9	-90.6	174.7	0	0	0	112.1	F44 A45 S50 M51 Q52 L106 L109 E110	F44-L48 HydrophobicContact CD1-CD1 3.78Å; F44-L48 HydrophobicContact CD1-CG 4.23Å; F44-L48 HydrophobicContact CE1-CD1 3.4Å; F44-L48 HydrophobicContact CE1-CG 3.83Å; F44-L48 HydrophobicContact CZ-CD1 4.37Å; F44-L48 HydrophobicContact CZ-CG 4.43Å; F44-L48 PolarHBondContact O-N 3.43Å; A45-L48 PolarHBondContact O-N 2.92Å; L48-S50 VanDerWaalsContact C-N 3.27Å; L48-S50 PolarHBondContact O-N 3.04Å; L48-M51 PolarHBondContact O-N 3.09Å; L48-Q52 WeakPolarHBondContact O-CG 3.49Å; L48-Q52 PolarHBondContact O-N 3.18Å; L48-L106 HydrophobicContact CD2-CD2 4.13Å; L48-L109 HydrophobicContact CD2-CB 3.85Å; L48-E110 HydrophobicContact CD1-CG 4.36Å; L48-E110 HydrophobicContact CD2-CG 3.96Å
49	V	75.9	Confident	74.8	Confident	78 Å²	78	54.9 Å²	54.9	47%	0.473	29%	0.291	S	S	.	.	H	α-helix	trans	-59.6	-40.5	176.9	169.7	0	0	0	0	110.9	A45 V47 Q52 R53	A45-V49 WeakPolarHBondContact O-CB 3.48Å; A45-V49 VanDerWaalsContact O-CG2 3.28Å; A45-V49 WeakPolarHBondContact O-CG2 3.34Å; A45-V49 PolarHBondContact O-N 3.32Å; V47-V49 PolarHBondContact O-N 3.49Å; V49-Q52 PolarHBondContact O-N 3.42Å; V49-R53 WeakPolarHBondContact O-CG 3.46Å; V49-R53 PolarHBondContact O-N 3.22Å
50	S	82.7	Confident	76.7	Confident	61 Å²	61	60.3 Å²	60.3	43%	0.427	30%	0.302	S	S	.	.	H	α-helix	trans	-66	-42.1	177.7	-60.8	0	0	0	0	111.9	Q46 V47 L48 R53 I54	Q46-S50 WeakPolarHBondContact O-CB 3.3Å; Q46-S50 PolarHBondContact O-N 3.04Å; Q46-S50 PolarHBondContact O-OG 3.44Å; V47-S50 WeakPolarHBondContact O-CB 3.49Å; V47-S50 PolarHBondContact O-N 3.14Å; L48-S50 VanDerWaalsContact C-N 3.27Å; L48-S50 PolarHBondContact O-N 3.04Å; S50-R53 WeakPolarHBondContact O-CB 3.21Å; S50-R53 PolarHBondContact O-N 2.94Å; S50-I54 WeakPolarHBondContact O-CG1 3.28Å; S50-I54 PolarHBondContact O-N 2.82Å
51	M	82.8	Confident	78.4	Confident	42 Å²	42	64.3 Å²	64.3	21%	0.207	32%	0.324	C	S	.	.	H	α-helix	trans	-66.8	-37.1	175.7	-72.5	-171.2	65	0	0	112.2	V47 L48 I54 R55 L102 L106 L109	V47-M51 HydrophobicContact CG1-CG 4.38Å; V47-M51 HydrophobicContact CG1-SD 4.19Å; V47-M51 WeakPolarHBondContact O-CG 3.44Å; V47-M51 PolarHBondContact O-N 3.26Å; L48-M51 PolarHBondContact O-N 3.09Å; M51-I54 PolarHBondContact O-N 2.8Å; M51-R55 PolarHBondContact O-N 3.26Å; M51-L102 HydrophobicContact CE-CD1 3.86Å; M51-L106 HydrophobicContact CB-CD2 3.47Å; M51-L106 VanDerWaalsContact CB-CD2 3.47Å; M51-L106 HydrophobicContact CB-CG 4.4Å; M51-L106 HydrophobicContact CE-CD2 4.35Å; M51-L106 HydrophobicContact CE-CG 4.47Å; M51-L109 HydrophobicContact CE-CD1 3.65Å; M51-L109 HydrophobicContact SD-CD1 3.23Å; M51-L109 WeakPolarHBondContact SD-CD1 3.46Å
52	Q	78.4	Confident	79.4	Confident	72 Å²	72	63.3 Å²	63.3	34%	0.336	32%	0.318	S	S	.	.	H	α-helix	trans	-63.6	-39.5	171.3	-71.4	174.4	-5.9	0	0	111.5	L48 V49 R55 N56 L106 E110	L48-Q52 WeakPolarHBondContact O-CG 3.49Å; L48-Q52 PolarHBondContact O-N 3.18Å; V49-Q52 PolarHBondContact O-N 3.42Å; Q52-R55 PolarHBondContact O-N 3.28Å; Q52-N56 VanDerWaalsContact O-CG 3.26Å; Q52-N56 PolarHBondContact O-N 3.41Å; Q52-N56 PolarHBondContact O-ND2 3.2Å; Q52-L106 HydrophobicContact CG-CD2 4.11Å; Q52-E110 PolarHBondContact NE2-OE1 3.12Å
53	R	83.1	Confident	80.1	Confident	139 Å²	139	67.2 Å²	67.2	53%	0.525	35%	0.351	S	S	.	.	H	α-helix	trans	-61.2	-44.3	171.7	-75.2	176.5	75	164.3	5	111.3	D33 V49 S50 N56 A57	D33-R53 IonicContact OD1-NH1 3.34Å; D33-R53 PolarHBondContact OD1-NH1 2.92Å; D33-R53 IonicContact OD1-NH2 3.04Å; D33-R53 IonicContact OD2-CZ 2.52Å; D33-R53 IonicContact OD2-NH1 2.66Å; D33-R53 IonicContact OD2-NH2 2.68Å; D33-R53 PolarHBondContact OD2-NH2 3.2Å; V49-R53 WeakPolarHBondContact O-CG 3.46Å; V49-R53 PolarHBondContact O-N 3.22Å; S50-R53 WeakPolarHBondContact O-CB 3.21Å; S50-R53 PolarHBondContact O-N 2.94Å; R53-N56 PolarHBondContact O-N 3.39Å; R53-A57 WeakPolarHBondContact O-CB 3.48Å; R53-A57 PolarHBondContact O-N 3.13Å
54	I	86.7	Confident	80.5	Confident	101 Å²	101	66.2 Å²	66.2	52%	0.518	35%	0.345	S	S	.	.	H	α-helix	trans	-61.6	-46.1	177	-69.1	165.7	0	0	0	110.5	S50 M51 N56 A57 F58	S50-I54 WeakPolarHBondContact O-CG1 3.28Å; S50-I54 PolarHBondContact O-N 2.82Å; M51-I54 PolarHBondContact O-N 2.8Å; I54-N56 VanDerWaalsContact C-N 3.33Å; I54-N56 PolarHBondContact O-N 3.43Å; I54-A57 PolarHBondContact O-N 3.24Å; I54-F58 WeakPolarHBondContact O-CB 3.28Å; I54-F58 PolarHBondContact O-N 3.04Å
55	R	85.1	Confident	80.6	Confident	61 Å²	61	73 Å²	73	23%	0.23	38%	0.377	C	S	.	.	H	α-helix	trans	-54.2	-49.5	174.2	178.1	-173.4	168.5	-101	6.1	111.5	M51 Q52 A57 F58 I59 L99 L102 E103 L106	M51-R55 PolarHBondContact O-N 3.26Å; Q52-R55 PolarHBondContact O-N 3.28Å; R55-A57 VanDerWaalsContact C-N 3.33Å; R55-A57 PolarHBondContact O-N 3.1Å; R55-F58 WeakPolarHBondContact O-CB 3.29Å; R55-F58 PolarHBondContact O-N 2.91Å; R55-I59 HydrophobicContact CG-CD1 4.06Å; R55-I59 WeakPolarHBondContact O-CG1 3.42Å; R55-I59 PolarHBondContact O-N 3.29Å; R55-L99 HydrophobicContact CG-CD1 3.93Å; R55-L102 HydrophobicContact CB-CD2 3.72Å; R55-L102 HydrophobicContact CB-CG 4.35Å; R55-L102 HydrophobicContact CG-CD2 4.23Å; R55-E103 IonicContact CZ-OE1 2.65Å; R55-E103 IonicContact NE-OE1 3.99Å; R55-E103 PolarHBondContact NE-OE1 3.16Å; R55-E103 IonicContact NH2-OE1 3.43Å; R55-E103 PolarHBondContact NH2-OE1 2.96Å; R55-L106 HydrophobicContact CB-CD1 4.04Å; R55-L106 HydrophobicContact CG-CD1 4.4Å
56	N	83.1	Confident	80.5	Confident	71 Å²	71	76.1 Å²	76.1	38%	0.38	39%	0.394	S	S	.	.	H	α-helix	trans	-66.5	-34.6	-179.1	-68.5	-25.7	0	0	0	112.5	Q52 R53 I54 R60	Q52-N56 VanDerWaalsContact O-CG 3.26Å; Q52-N56 PolarHBondContact O-N 3.41Å; Q52-N56 PolarHBondContact O-ND2 3.2Å; R53-N56 PolarHBondContact O-N 3.39Å; I54-N56 VanDerWaalsContact C-N 3.33Å; I54-N56 PolarHBondContact O-N 3.43Å; N56-R60 WeakPolarHBondContact O-CG 3.39Å; N56-R60 PolarHBondContact O-N 2.78Å; N56-R60 PolarHBondContact O-NE 3Å
57	A	84.5	Confident	80	Confident	38 Å²	38	74.4 Å²	74.4	31%	0.314	39%	0.39	S	S	.	.	H	α-helix	trans	-67.7	-42.2	172.1	0	0	0	0	0	111.5	R53 I54 R55 R60 L61	R53-A57 WeakPolarHBondContact O-CB 3.48Å; R53-A57 PolarHBondContact O-N 3.13Å; I54-A57 PolarHBondContact O-N 3.24Å; R55-A57 VanDerWaalsContact C-N 3.33Å; R55-A57 PolarHBondContact O-N 3.1Å; A57-R60 PolarHBondContact O-N 3.09Å; A57-L61 WeakPolarHBondContact O-CG 3.44Å; A57-L61 PolarHBondContact O-N 3.41Å
58	F	88.4	Confident	78.8	Confident	50 Å²	50	77.8 Å²	77.8	22%	0.219	41%	0.406	C	S	.	.	H	α-helix	trans	-61.3	-47.1	179	-175	-88.8	0	0	0	112	I54 R55 R60 L61 T62 A64 A95 T98 L99	I54-F58 WeakPolarHBondContact O-CB 3.28Å; I54-F58 PolarHBondContact O-N 3.04Å; R55-F58 WeakPolarHBondContact O-CB 3.29Å; R55-F58 PolarHBondContact O-N 2.91Å; F58-R60 VanDerWaalsContact C-N 3.27Å; F58-R60 PolarHBondContact O-N 3.25Å; F58-L61 PolarHBondContact O-N 3.08Å; F58-L61 VanDerWaalsContact O-N 3.15Å; F58-T62 HydrophobicContact CD1-CG2 4.14Å; F58-T62 HydrophobicContact CD2-CG2 4.15Å; F58-T62 HydrophobicContact CE1-CG2 3.8Å; F58-T62 HydrophobicContact CE2-CG2 3.83Å; F58-T62 HydrophobicContact CG-CG2 4.31Å; F58-T62 HydrophobicContact CZ-CG2 3.65Å; F58-T62 WeakPolarHBondContact O-CB 3.4Å; F58-T62 WeakPolarHBondContact O-CG2 3.27Å; F58-T62 PolarHBondContact O-N 3.12Å; F58-T62 PolarHBondContact O-OG1 2.93Å; F58-A64 HydrophobicContact CE1-CB 4.46Å; F58-A95 VanDerWaalsContact CE1-O 3.31Å; F58-A95 WeakPolarHBondContact CE1-O 3.36Å; F58-A95 HydrophobicContact CZ-CB 4.44Å; F58-T98 HydrophobicContact CE2-CG2 4.02Å; F58-T98 HydrophobicContact CZ-CG2 3.81Å; F58-L99 HydrophobicContact CD1-CB 4.33Å; F58-L99 HydrophobicContact CD1-CD1 4.24Å; F58-L99 HydrophobicContact CE1-CB 4.01Å
59	I	84.8	Confident	77.9	Confident	39 Å²	39	85.2 Å²	85.2	20%	0.2	44%	0.438	C	S	.	.	H	α-helix	trans	-56.6	-43.9	175.3	-67.6	166	0	0	0	110.6	R55 L61 A63 V66 L99	R55-I59 HydrophobicContact CG-CD1 4.06Å; R55-I59 WeakPolarHBondContact O-CG1 3.42Å; R55-I59 PolarHBondContact O-N 3.29Å; I59-L61 PolarHBondContact O-N 3Å; I59-A63 WeakPolarHBondContact O-CA 3.48Å; I59-A63 PolarHBondContact O-N 3.03Å; I59-V66 HydrophobicContact CD1-CG2 3.98Å; I59-L99 HydrophobicContact CD1-CD1 4.14Å; I59-L99 HydrophobicContact CD1-CD2 4.36Å; I59-L99 HydrophobicContact CG1-CD1 3.79Å; I59-L99 HydrophobicContact CG1-CD2 3.84Å
60	R	83.7	Confident	76.7	Confident	197 Å²	197	85 Å²	85	74%	0.743	43%	0.429	S	S	*	.	H	α-helix	trans	-65.9	-35.5	179	-78	-174.6	-76.3	-130.4	1.1	113.4	N56 A57 F58	N56-R60 WeakPolarHBondContact O-CG 3.39Å; N56-R60 PolarHBondContact O-N 2.78Å; N56-R60 PolarHBondContact O-NE 3Å; A57-R60 PolarHBondContact O-N 3.09Å; F58-R60 VanDerWaalsContact C-N 3.27Å; F58-R60 PolarHBondContact O-N 3.25Å
61	L	85	Confident	74.9	Confident	141 Å²	141	89.3 Å²	89.3	74%	0.738	45%	0.447	S	S	*	.	H	α-helix	trans	-79.4	-31	-178.7	-71.5	171.1	0	0	0	112.9	A57 F58 I59	A57-L61 WeakPolarHBondContact O-CG 3.44Å; A57-L61 PolarHBondContact O-N 3.41Å; F58-L61 PolarHBondContact O-N 3.08Å; F58-L61 VanDerWaalsContact O-N 3.15Å; I59-L61 PolarHBondContact O-N 3Å
62	T	83.8	Confident	73.5	Confident	19 Å²	19	90 Å²	90	12%	0.117	45%	0.451	C	S	.	.	H	α-helix	trans	-106	-16.1	-171.2	61.2	0	0	0	0	114.4	F58 A64 Y91 A95	F58-T62 HydrophobicContact CD1-CG2 4.14Å; F58-T62 HydrophobicContact CD2-CG2 4.15Å; F58-T62 HydrophobicContact CE1-CG2 3.8Å; F58-T62 HydrophobicContact CE2-CG2 3.83Å; F58-T62 HydrophobicContact CG-CG2 4.31Å; F58-T62 HydrophobicContact CZ-CG2 3.65Å; F58-T62 WeakPolarHBondContact O-CB 3.4Å; F58-T62 WeakPolarHBondContact O-CG2 3.27Å; F58-T62 PolarHBondContact O-N 3.12Å; F58-T62 PolarHBondContact O-OG1 2.93Å; T62-A64 PolarHBondContact O-N 2.64Å; T62-A64 VanDerWaalsContact OG1-CB 3.32Å; T62-A64 WeakPolarHBondContact OG1-CB 3.43Å; T62-A64 PolarHBondContact OG1-N 2.91Å; T62-Y91 WeakPolarHBondContact CG2-OH 3.35Å; T62-A95 HydrophobicContact CG2-CB 4.14Å
63	A	79.7	Confident	71.7	Confident	87 Å²	87	93.2 Å²	93.2	72%	0.719	48%	0.476	S	S	*	.			trans	53.3	26.3	-168.3	0	0	0	0	0	113.5	I59	I59-A63 WeakPolarHBondContact O-CA 3.48Å; I59-A63 PolarHBondContact O-N 3.03Å
64	A	76.7	Confident	69.7	Low	9 Å²	9	90.7 Å²	90.7	7%	0.074	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-59.8	144.3	175	0	0	0	0	0	111.2	F58 T62 A95 N96 L99	F58-A64 HydrophobicContact CE1-CB 4.46Å; T62-A64 PolarHBondContact O-N 2.64Å; T62-A64 VanDerWaalsContact OG1-CB 3.32Å; T62-A64 WeakPolarHBondContact OG1-CB 3.43Å; T62-A64 PolarHBondContact OG1-N 2.91Å; A64-A95 HydrophobicContact CB-CB 4.31Å; A64-N96 VanDerWaalsContact CA-OD1 3.25Å; A64-N96 WeakPolarHBondContact CA-OD1 3.4Å; A64-N96 WeakPolarHBondContact CB-OD1 3.06Å; A64-L99 HydrophobicContact CB-CB 4.34Å; A64-L99 HydrophobicContact CB-CD2 3.78Å
65	Q	72.2	Confident	67.5	Low	161 Å²	161	92.6 Å²	92.6	75%	0.752	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-87.3	129.6	-179.6	-65.5	-157.5	-23.8	0	0	110.6	S67 N96	Q65-S67 PolarHBondContact O-N 3.44Å; Q65-N96 PolarHBondContact N-OD1 3.26Å
66	V	66.8	Low	65.7	Low	80 Å²	80	95.7 Å²	95.7	49%	0.485	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-70.4	123.7	176.7	-178.8	0	0	0	0	109.4	I59	I59-V66 HydrophobicContact CD1-CG2 3.98Å
67	S	63	Low	63.6	Low	36 Å²	36	99.4 Å²	99.4	25%	0.252	53%	0.527	S	S	.	.			trans	-117.3	130.9	-179.3	175.2	0	0	0	0	109.9	Q65 K69 E100	Q65-S67 PolarHBondContact O-N 3.44Å; S67-K69 VanDerWaalsContact C-N 3.27Å; S67-K69 PolarHBondContact O-N 3.5Å; S67-E100 VanDerWaalsContact CB-OE1 3.27Å; S67-E100 WeakPolarHBondContact CB-OE1 3.47Å; S67-E100 PolarHBondContact OG-OE1 2.89Å; S67-E100 VanDerWaalsContact OG-OE1 3.06Å
68	N	54.7	Low	61.9	Low	144 Å²	144	102.9 Å²	102.9	77%	0.77	55%	0.549	S	S	*	.	S	Bend	trans	-87.2	15.4	178	-82	-11.7	0	0	0	113.5
69	K	54.1	Low	60.2	Low	163 Å²	163	106.5 Å²	106.5	71%	0.709	58%	0.575	S	S	*	*			trans	-117.4	115.5	-176.9	-73.1	-175.9	178.4	178.5	0	110.9	S67	S67-K69 VanDerWaalsContact C-N 3.27Å; S67-K69 PolarHBondContact O-N 3.5Å
70	Y	51.1	Low	58.7	Low	75 Å²	75	108.5 Å²	108.5	29%	0.294	59%	0.59	S	S	.	*			trans	-102.6	90.6	179.6	-51.6	-73.4	0	0	0	110.5	E103 W104 K107	Y70-E103 HydrophobicContact CE1-CB 3.71Å; Y70-W104 HydrophobicContact CD1-CB 4.35Å; Y70-K107 HydrophobicContact CD2-CD 4.19Å; Y70-K107 HydrophobicContact CE2-CD 4.01Å
71	N	45.9	Very low	57.4	Low	151 Å²	151	106.2 Å²	106.2	81%	0.807	60%	0.598	S	S	*	*			trans	-120.2	80.1	172.3	-89.6	-8.1	0	0	0	109.5
72	I	52.7	Low	56.2	Low	55 Å²	55	101.8 Å²	101.8	28%	0.282	59%	0.587	S	S	.	*			trans	-106.2	111.4	175.8	-57.9	179.6	0	0	0	108	E101 W104	I72-E101 HydrophobicContact CD1-CB 4.27Å; I72-E101 HydrophobicContact CD1-CG 3.72Å; I72-W104 HydrophobicContact CD1-CB 3.64Å; I72-W104 HydrophobicContact CD1-CD2 4.5Å; I72-W104 HydrophobicContact CD1-CG 3.94Å
73	T	40.9	Very low	55.2	Low	141 Å²	141	109.2 Å²	109.2	87%	0.865	63%	0.626	S	S	*	*			trans	-118.5	4.6	176.7	16.9	0	0	0	0	113.2
74	T	40.4	Very low	54.7	Low	86 Å²	86	108.1 Å²	108.1	53%	0.528	61%	0.608	S	S	.	*			trans	-136.1	117.4	-174.1	44.2	0	0	0	0	110.5	F76	T74-F76 PolarHBondContact O-N 2.83Å
75	V	39.8	Very low	54.6	Low	140 Å²	140	112.1 Å²	112.1	85%	0.848	63%	0.632	S	S	*	*			trans	-74.8	115.1	164.2	-179.4	0	0	0	0	106.3	D77	V75-D77 PolarHBondContact O-N 3.04Å
76	F	48.4	Very low	54.4	Low	127 Å²	127	109.1 Å²	109.1	56%	0.557	63%	0.626	S	S	*	*			trans	-73.8	115.6	177.2	-80.5	-82.4	0	0	0	110.5	T74 S78	T74-F76 PolarHBondContact O-N 2.83Å; F76-S78 PolarHBondContact O-N 3.29Å
77	D	38.9	Very low	54.6	Low	149 Å²	149	111.4 Å²	111.4	80%	0.797	64%	0.636	S	S	*	*			trans	-74.9	117.7	161.6	-82.6	-33.9	0	0	0	108.3	V75	V75-D77 PolarHBondContact O-N 3.04Å
78	S	47.9	Very low	55.5	Low	111 Å²	111	111 Å²	111	78%	0.776	63%	0.633	S	S	*	*			trans	83.5	120	171.4	66.4	0	0	0	0	119.2	F76	F76-S78 PolarHBondContact O-N 3.29Å
79	V	52.6	Low	56.7	Low	126 Å²	126	107.9 Å²	107.9	76%	0.764	62%	0.622	S	S	*	*			trans	-70.1	131.3	170.9	179.5	0	0	0	0	109.4	T81	V79-T81 PolarHBondContact O-N 3.26Å; V79-T81 VanDerWaalsContact O-N 3.11Å
80	P	55	Low	57.8	Low	80 Å²	80	104.5 Å²	104.5	52%	0.519	61%	0.612	S	S	.	*			trans	-61.1	115.4	176.2	-20.6	32.1	0	0	0	110.9	G82 I94	P80-G82 PolarHBondContact O-N 3.41Å; P80-I94 HydrophobicContact CG-CD1 4.01Å
81	T	56.4	Low	59.4	Low	149 Å²	149	103.6 Å²	103.6	91%	0.914	61%	0.608	S	S	*	*			trans	-82.5	14.2	-178.1	52	0	0	0	0	114	V79	V79-T81 PolarHBondContact O-N 3.26Å; V79-T81 VanDerWaalsContact O-N 3.11Å
82	G	59.5	Low	61.1	Low	49 Å²	49	101.4 Å²	101.4	51%	0.505	59%	0.592	S	S	.	*	S	Bend	trans	-98.5	138.6	-179.9	0	0	0	0	0	112.2	P80 L84	P80-G82 PolarHBondContact O-N 3.41Å; G82-L84 PolarHBondContact O-N 2.98Å
83	N	62.2	Low	62.4	Low	174 Å²	174	102.8 Å²	102.8	93%	0.93	60%	0.599	S	S	*	*			trans	-63.6	105.9	170.1	-80.1	-13.5	0	0	0	109.7
84	L	68.8	Low	64.3	Low	65 Å²	65	98.3 Å²	98.3	34%	0.34	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-78.8	132.1	173.9	-66	163.2	0	0	0	109.6	G82 D90 Y91 I94	G82-L84 PolarHBondContact O-N 2.98Å; L84-D90 HydrophobicContact CD2-CB 4.27Å; L84-Y91 HydrophobicContact CB-CD2 3.96Å; L84-I94 HydrophobicContact CD1-CD1 3.49Å; L84-I94 VanDerWaalsContact CD1-CD1 3.49Å; L84-I94 HydrophobicContact CD2-CD1 4.3Å
85	T	74.4	Confident	66.3	Low	93 Å²	93	94.5 Å²	94.5	57%	0.571	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-74.3	131.7	174.4	53.3	0	0	0	0	109.8	D87 S88	T85-D87 PolarHBondContact O-N 3.13Å; T85-S88 PolarHBondContact O-N 2.83Å; T85-S88 VanDerWaalsContact O-N 3.13Å; T85-S88 PolarHBondContact O-OG 3.49Å
86	P	68.7	Low	68.3	Low	98 Å²	98	90.3 Å²	90.3	64%	0.636	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	135.3	167.7	-22.5	32.2	0	0	0	109.1
87	D	71.9	Confident	69.8	Low	128 Å²	128	88.2 Å²	88.2	68%	0.684	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-2.6	-176.1	-58	-46.8	0	0	0	119	T85	T85-D87 PolarHBondContact O-N 3.13Å
88	S	81.7	Confident	71.9	Confident	27 Å²	27	83.9 Å²	83.9	19%	0.189	49%	0.49	C	S	.	.			trans	-64.9	151.3	169	60.7	0	0	0	0	111.7	T85 D90 Y91 K92	T85-S88 PolarHBondContact O-N 2.83Å; T85-S88 VanDerWaalsContact O-N 3.13Å; T85-S88 PolarHBondContact O-OG 3.49Å; S88-D90 PolarHBondContact O-N 3.07Å; S88-Y91 PolarHBondContact O-N 3.01Å; S88-Y91 WeakPolarHBondContact OG-CB 3.36Å; S88-Y91 PolarHBondContact OG-N 3.37Å; S88-Y91 VanDerWaalsContact OG-N 3.11Å; S88-K92 PolarHBondContact O-N 3.06Å; S88-K92 VanDerWaalsContact O-N 3.1Å
89	S	80.4	Confident	73.6	Confident	79 Å²	79	78.7 Å²	78.7	55%	0.552	45%	0.454	S	S	*	.	H	α-helix	trans	-54.9	-42.4	172.7	52.4	0	0	0	0	110.9	K92 I93	S89-K92 PolarHBondContact O-N 3.49Å; S89-I93 VanDerWaalsContact O-CG1 3.31Å; S89-I93 WeakPolarHBondContact O-CG1 3.37Å; S89-I93 PolarHBondContact O-N 3.11Å
90	D	76.9	Confident	74.9	Confident	92 Å²	92	75.4 Å²	75.4	49%	0.492	43%	0.43	S	S	.	.	H	α-helix	trans	-69.3	-39.2	-174.8	-55.5	-9.6	0	0	0	110.6	L84 S88 K92 I93 I94	L84-D90 HydrophobicContact CD2-CB 4.27Å; S88-D90 PolarHBondContact O-N 3.07Å; D90-K92 PolarHBondContact O-N 3.47Å; D90-I93 PolarHBondContact O-N 2.85Å; D90-I94 WeakPolarHBondContact O-CB 3.4Å; D90-I94 VanDerWaalsContact O-CG1 3.31Å; D90-I94 WeakPolarHBondContact O-CG1 3.42Å; D90-I94 PolarHBondContact O-N 2.99Å
91	Y	83.1	Confident	75.8	Confident	55 Å²	55	74.9 Å²	74.9	22%	0.216	42%	0.42	C	S	.	.	H	α-helix	trans	-58.5	-46.6	170.4	178.2	-91.6	0	0	0	111.9	T62 L84 S88 I94 A95	T62-Y91 WeakPolarHBondContact CG2-OH 3.35Å; L84-Y91 HydrophobicContact CB-CD2 3.96Å; S88-Y91 PolarHBondContact O-N 3.01Å; S88-Y91 WeakPolarHBondContact OG-CB 3.36Å; S88-Y91 PolarHBondContact OG-N 3.37Å; S88-Y91 VanDerWaalsContact OG-N 3.11Å; Y91-I94 PolarHBondContact O-N 3.2Å; Y91-A95 HydrophobicContact CE1-CB 4.48Å; Y91-A95 WeakPolarHBondContact O-CB 3.44Å; Y91-A95 PolarHBondContact O-N 2.82Å
92	K	82	Confident	77	Confident	105 Å²	105	69.2 Å²	69.2	46%	0.457	38%	0.384	S	S	.	.	H	α-helix	trans	-66.2	-38.5	-179.1	-71.3	-179.4	-179.6	174.5	0	112.2	S88 S89 D90 N96	S88-K92 PolarHBondContact O-N 3.06Å; S88-K92 VanDerWaalsContact O-N 3.1Å; S89-K92 PolarHBondContact O-N 3.49Å; D90-K92 PolarHBondContact O-N 3.47Å; K92-N96 WeakPolarHBondContact O-CB 3.36Å; K92-N96 VanDerWaalsContact O-CG 3.25Å; K92-N96 PolarHBondContact O-N 3.11Å; K92-N96 PolarHBondContact O-ND2 3.06Å; K92-N96 VanDerWaalsContact O-ND2 3.09Å
93	I	80.4	Confident	78	Confident	84 Å²	84	67.3 Å²	67.3	43%	0.431	36%	0.362	S	S	.	.	H	α-helix	trans	-62.5	-55.3	175.6	-69.8	164.6	0	0	0	109.6	S89 D90 A95 N96 E97	S89-I93 VanDerWaalsContact O-CG1 3.31Å; S89-I93 WeakPolarHBondContact O-CG1 3.37Å; S89-I93 PolarHBondContact O-N 3.11Å; D90-I93 PolarHBondContact O-N 2.85Å; I93-A95 VanDerWaalsContact C-N 3.29Å; I93-A95 PolarHBondContact O-N 3.03Å; I93-N96 PolarHBondContact O-N 3.46Å; I93-N96 VanDerWaalsContact O-N 3.14Å; I93-E97 HydrophobicContact CG2-CG 4.34Å; I93-E97 WeakPolarHBondContact O-CG 3.49Å; I93-E97 PolarHBondContact O-N 2.96Å
94	I	80	Confident	78.7	Confident	48 Å²	48	63.8 Å²	63.8	25%	0.246	34%	0.336	C	S	.	.	H	α-helix	trans	-61	-40.2	-178.6	-68.2	165.3	0	0	0	111.1	P80 L84 D90 Y91 E97 T98	P80-I94 HydrophobicContact CG-CD1 4.01Å; L84-I94 HydrophobicContact CD1-CD1 3.49Å; L84-I94 VanDerWaalsContact CD1-CD1 3.49Å; L84-I94 HydrophobicContact CD2-CD1 4.3Å; D90-I94 WeakPolarHBondContact O-CB 3.4Å; D90-I94 VanDerWaalsContact O-CG1 3.31Å; D90-I94 WeakPolarHBondContact O-CG1 3.42Å; D90-I94 PolarHBondContact O-N 2.99Å; Y91-I94 PolarHBondContact O-N 3.2Å; I94-E97 PolarHBondContact O-N 3.39Å; I94-T98 VanDerWaalsContact O-CB 3.26Å; I94-T98 WeakPolarHBondContact O-CB 3.32Å; I94-T98 PolarHBondContact O-N 3Å; I94-T98 PolarHBondContact O-OG1 2.74Å
95	A	83.6	Confident	79	Confident	5 Å²	5	63.1 Å²	63.1	4%	0.041	34%	0.336	C	S	.	.	H	α-helix	trans	-63.7	-43.2	177.1	0	0	0	0	0	112.6	F58 T62 A64 Y91 I93 L99	F58-A95 VanDerWaalsContact CE1-O 3.31Å; F58-A95 WeakPolarHBondContact CE1-O 3.36Å; F58-A95 HydrophobicContact CZ-CB 4.44Å; T62-A95 HydrophobicContact CG2-CB 4.14Å; A64-A95 HydrophobicContact CB-CB 4.31Å; Y91-A95 HydrophobicContact CE1-CB 4.48Å; Y91-A95 WeakPolarHBondContact O-CB 3.44Å; Y91-A95 PolarHBondContact O-N 2.82Å; I93-A95 VanDerWaalsContact C-N 3.29Å; I93-A95 PolarHBondContact O-N 3.03Å; A95-L99 WeakPolarHBondContact O-CB 3.45Å; A95-L99 PolarHBondContact O-N 3.34Å
96	N	82.5	Confident	79.1	Confident	52 Å²	52	59.1 Å²	59.1	28%	0.278	31%	0.311	S	S	.	.	H	α-helix	trans	-68.1	-43.5	176.9	-71.6	-32.1	0	0	0	111.7	A64 Q65 K92 I93 T98 L99 E100	A64-N96 VanDerWaalsContact CA-OD1 3.25Å; A64-N96 WeakPolarHBondContact CA-OD1 3.4Å; A64-N96 WeakPolarHBondContact CB-OD1 3.06Å; Q65-N96 PolarHBondContact N-OD1 3.26Å; K92-N96 WeakPolarHBondContact O-CB 3.36Å; K92-N96 VanDerWaalsContact O-CG 3.25Å; K92-N96 PolarHBondContact O-N 3.11Å; K92-N96 PolarHBondContact O-ND2 3.06Å; K92-N96 VanDerWaalsContact O-ND2 3.09Å; I93-N96 PolarHBondContact O-N 3.46Å; I93-N96 VanDerWaalsContact O-N 3.14Å; N96-T98 PolarHBondContact O-N 2.82Å; N96-L99 PolarHBondContact O-N 2.95Å; N96-E100 PolarHBondContact O-N 3.06Å
97	E	80.1	Confident	79.2	Confident	84 Å²	84	58.7 Å²	58.7	39%	0.393	30%	0.299	S	S	.	.	H	α-helix	trans	-61.5	-44.4	176.9	-72.3	175.4	166.5	0	0	111.5	I93 I94 L99 E100 E101	I93-E97 HydrophobicContact CG2-CG 4.34Å; I93-E97 WeakPolarHBondContact O-CG 3.49Å; I93-E97 PolarHBondContact O-N 2.96Å; I94-E97 PolarHBondContact O-N 3.39Å; E97-L99 VanDerWaalsContact C-N 3.3Å; E97-L99 PolarHBondContact O-N 3.33Å; E97-E100 PolarHBondContact O-N 3.43Å; E97-E101 PolarHBondContact O-N 3.38Å
98	T	81.8	Confident	78.9	Confident	58 Å²	58	55.6 Å²	55.6	36%	0.356	28%	0.281	S	S	.	.	H	α-helix	trans	-63.2	-37.1	176	-54.7	0	0	0	0	111.5	F58 I94 N96 L102	F58-T98 HydrophobicContact CE2-CG2 4.02Å; F58-T98 HydrophobicContact CZ-CG2 3.81Å; I94-T98 VanDerWaalsContact O-CB 3.26Å; I94-T98 WeakPolarHBondContact O-CB 3.32Å; I94-T98 PolarHBondContact O-N 3Å; I94-T98 PolarHBondContact O-OG1 2.74Å; N96-T98 PolarHBondContact O-N 2.82Å; T98-L102 WeakPolarHBondContact O-CB 3.49Å; T98-L102 PolarHBondContact O-N 3.49Å
99	L	84.6	Confident	78.3	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-67.4	-43.6	176.1	-179.3	61.3	0	0	0	111.4	R55 F58 I59 A64 A95 N96 E97 E101 L102 E103	R55-L99 HydrophobicContact CG-CD1 3.93Å; F58-L99 HydrophobicContact CD1-CB 4.33Å; F58-L99 HydrophobicContact CD1-CD1 4.24Å; F58-L99 HydrophobicContact CE1-CB 4.01Å; I59-L99 HydrophobicContact CD1-CD1 4.14Å; I59-L99 HydrophobicContact CD1-CD2 4.36Å; I59-L99 HydrophobicContact CG1-CD1 3.79Å; I59-L99 HydrophobicContact CG1-CD2 3.84Å; A64-L99 HydrophobicContact CB-CB 4.34Å; A64-L99 HydrophobicContact CB-CD2 3.78Å; A95-L99 WeakPolarHBondContact O-CB 3.45Å; A95-L99 PolarHBondContact O-N 3.34Å; N96-L99 PolarHBondContact O-N 2.95Å; E97-L99 VanDerWaalsContact C-N 3.3Å; E97-L99 PolarHBondContact O-N 3.33Å; L99-E101 VanDerWaalsContact C-N 3.33Å; L99-E101 PolarHBondContact O-N 2.89Å; L99-L102 PolarHBondContact O-N 2.88Å; L99-E103 HydrophobicContact CD1-CG 4.21Å; L99-E103 HydrophobicContact CG-CG 4.46Å; L99-E103 WeakPolarHBondContact O-CB 3.45Å; L99-E103 WeakPolarHBondContact O-CG 3.44Å; L99-E103 PolarHBondContact O-N 2.9Å
100	E	78	Confident	77.5	Confident	56 Å²	56	55.9 Å²	55.9	26%	0.262	27%	0.272	S	S	.	.	H	α-helix	trans	-61.2	-41.3	176.2	-74	-171.2	167	0	0	111.4	S67 N96 E97 E103 W104	S67-E100 VanDerWaalsContact CB-OE1 3.27Å; S67-E100 WeakPolarHBondContact CB-OE1 3.47Å; S67-E100 PolarHBondContact OG-OE1 2.89Å; S67-E100 VanDerWaalsContact OG-OE1 3.06Å; N96-E100 PolarHBondContact O-N 3.06Å; E97-E100 PolarHBondContact O-N 3.43Å; E100-E103 PolarHBondContact O-N 3.38Å; E100-W104 WeakPolarHBondContact O-CB 3.28Å; E100-W104 PolarHBondContact O-N 3.24Å
101	E	74.1	Confident	76.9	Confident	69 Å²	69	56 Å²	56	32%	0.322	27%	0.272	S	S	.	.	H	α-helix	trans	-61.6	-46.5	172.7	-86	-175.4	-174.4	0	0	112.7	I72 E97 L99 E103 W104 C105	I72-E101 HydrophobicContact CD1-CB 4.27Å; I72-E101 HydrophobicContact CD1-CG 3.72Å; E97-E101 PolarHBondContact O-N 3.38Å; L99-E101 VanDerWaalsContact C-N 3.33Å; L99-E101 PolarHBondContact O-N 2.89Å; E101-E103 VanDerWaalsContact C-N 3.34Å; E101-E103 PolarHBondContact O-N 3.06Å; E101-W104 PolarHBondContact O-N 3.19Å; E101-C105 WeakPolarHBondContact O-CB 3.43Å; E101-C105 PolarHBondContact O-N 2.99Å; E101-C105 PolarHBondContact O-SG 3.26Å
102	L	82.2	Confident	75.7	Confident	31 Å²	31	56.8 Å²	56.8	16%	0.162	28%	0.279	C	S	.	.	H	α-helix	trans	-63	-41.7	178.9	179	59.6	0	0	0	111.6	M51 R55 T98 L99 C105 L106	M51-L102 HydrophobicContact CE-CD1 3.86Å; R55-L102 HydrophobicContact CB-CD2 3.72Å; R55-L102 HydrophobicContact CB-CG 4.35Å; R55-L102 HydrophobicContact CG-CD2 4.23Å; T98-L102 WeakPolarHBondContact O-CB 3.49Å; T98-L102 PolarHBondContact O-N 3.49Å; L99-L102 PolarHBondContact O-N 2.88Å; L102-C105 PolarHBondContact O-N 3.45Å; L102-L106 HydrophobicContact CG-CD1 4.37Å; L102-L106 WeakPolarHBondContact O-CB 3.46Å; L102-L106 WeakPolarHBondContact O-CG 3.17Å; L102-L106 PolarHBondContact O-N 2.89Å
103	E	80.2	Confident	74.4	Confident	9 Å²	9	51.8 Å²	51.8	4%	0.042	26%	0.258	C	S	.	.	H	α-helix	trans	-67.5	-38	176	-70.7	-177.4	168.1	0	0	112.1	R55 Y70 L99 E100 E101 L106 K107	R55-E103 IonicContact CZ-OE1 2.65Å; R55-E103 IonicContact NE-OE1 3.99Å; R55-E103 PolarHBondContact NE-OE1 3.16Å; R55-E103 IonicContact NH2-OE1 3.43Å; R55-E103 PolarHBondContact NH2-OE1 2.96Å; Y70-E103 HydrophobicContact CE1-CB 3.71Å; L99-E103 HydrophobicContact CD1-CG 4.21Å; L99-E103 HydrophobicContact CG-CG 4.46Å; L99-E103 WeakPolarHBondContact O-CB 3.45Å; L99-E103 WeakPolarHBondContact O-CG 3.44Å; L99-E103 PolarHBondContact O-N 2.9Å; E100-E103 PolarHBondContact O-N 3.38Å; E101-E103 VanDerWaalsContact C-N 3.34Å; E101-E103 PolarHBondContact O-N 3.06Å; E103-L106 PolarHBondContact O-N 3.49Å; E103-K107 WeakPolarHBondContact O-CB 3.37Å; E103-K107 PolarHBondContact O-N 2.87Å
104	W	77.3	Confident	73	Confident	100 Å²	100	51 Å²	51	38%	0.379	26%	0.257	S	S	.	.	H	α-helix	trans	-62.8	-45	172	-179.1	88.7	0	0	0	111.3	Y70 I72 E100 E101 L106 K107 Q108	Y70-W104 HydrophobicContact CD1-CB 4.35Å; I72-W104 HydrophobicContact CD1-CB 3.64Å; I72-W104 HydrophobicContact CD1-CD2 4.5Å; I72-W104 HydrophobicContact CD1-CG 3.94Å; E100-W104 WeakPolarHBondContact O-CB 3.28Å; E100-W104 PolarHBondContact O-N 3.24Å; E101-W104 PolarHBondContact O-N 3.19Å; W104-L106 PolarHBondContact O-N 2.92Å; W104-K107 WeakPolarHBondContact O-CB 3.15Å; W104-K107 PolarHBondContact O-N 3.38Å; W104-Q108 HydrophobicContact CD2-CG 3.78Å; W104-Q108 HydrophobicContact CE3-CG 3.88Å; W104-Q108 HydrophobicContact CH2-CG 3.64Å; W104-Q108 HydrophobicContact CZ2-CG 3.52Å; W104-Q108 HydrophobicContact CZ3-CG 3.81Å; W104-Q108 WeakPolarHBondContact O-CG 3.3Å; W104-Q108 PolarHBondContact O-N 3.48Å
105	C	74.3	Confident	71.9	Confident	50 Å²	50	54.7 Å²	54.7	34%	0.338	27%	0.271	S	S	.	.	H	α-helix	trans	-61.7	-43.8	176.8	-70.2	0	0	0	0	111.7	E101 L102 K107 Q108 L109	E101-C105 WeakPolarHBondContact O-CB 3.43Å; E101-C105 PolarHBondContact O-N 2.99Å; E101-C105 PolarHBondContact O-SG 3.26Å; L102-C105 PolarHBondContact O-N 3.45Å; C105-K107 VanDerWaalsContact C-N 3.32Å; C105-K107 PolarHBondContact O-N 3.04Å; C105-Q108 PolarHBondContact O-N 3.09Å; C105-L109 WeakPolarHBondContact O-CB 3.28Å; C105-L109 WeakPolarHBondContact O-CG 3.38Å; C105-L109 PolarHBondContact O-N 3.21Å
106	L	76.2	Confident	70.9	Confident	9 Å²	9	59.7 Å²	59.7	5%	0.047	29%	0.289	C	S	.	.	H	α-helix	trans	-58.3	-45	173.9	-81.5	169.3	0	0	0	111.2	L48 M51 Q52 R55 L102 E103 W104 Q108 L109 E110	L48-L106 HydrophobicContact CD2-CD2 4.13Å; M51-L106 HydrophobicContact CB-CD2 3.47Å; M51-L106 VanDerWaalsContact CB-CD2 3.47Å; M51-L106 HydrophobicContact CB-CG 4.4Å; M51-L106 HydrophobicContact CE-CD2 4.35Å; M51-L106 HydrophobicContact CE-CG 4.47Å; Q52-L106 HydrophobicContact CG-CD2 4.11Å; R55-L106 HydrophobicContact CB-CD1 4.04Å; R55-L106 HydrophobicContact CG-CD1 4.4Å; L102-L106 HydrophobicContact CG-CD1 4.37Å; L102-L106 WeakPolarHBondContact O-CB 3.46Å; L102-L106 WeakPolarHBondContact O-CG 3.17Å; L102-L106 PolarHBondContact O-N 2.89Å; E103-L106 PolarHBondContact O-N 3.49Å; W104-L106 PolarHBondContact O-N 2.92Å; L106-Q108 PolarHBondContact O-N 3.43Å; L106-L109 PolarHBondContact O-N 3.41Å; L106-E110 WeakPolarHBondContact O-CG 3.43Å; L106-E110 PolarHBondContact O-N 2.91Å
107	K	72.2	Confident	70.1	Confident	89 Å²	89	60.6 Å²	60.6	39%	0.387	30%	0.297	S	S	.	.	H	α-helix	trans	-64.7	-38.5	176.1	-172	171.7	-176.4	174	0	112.7	Y70 E103 W104 C105 N111	Y70-K107 HydrophobicContact CD2-CD 4.19Å; Y70-K107 HydrophobicContact CE2-CD 4.01Å; E103-K107 WeakPolarHBondContact O-CB 3.37Å; E103-K107 PolarHBondContact O-N 2.87Å; W104-K107 WeakPolarHBondContact O-CB 3.15Å; W104-K107 PolarHBondContact O-N 3.38Å; C105-K107 VanDerWaalsContact C-N 3.32Å; C105-K107 PolarHBondContact O-N 3.04Å; K107-N111 WeakPolarHBondContact O-CB 3.37Å; K107-N111 VanDerWaalsContact O-CG 3.25Å; K107-N111 PolarHBondContact O-N 3.49Å; K107-N111 PolarHBondContact O-ND2 3.42Å
108	Q	65.8	Low	69.4	Low	64 Å²	64	56.7 Å²	56.7	30%	0.299	28%	0.279	S	S	.	.	H	α-helix	trans	-67.1	-39.4	173.8	-66.7	-47.1	-50.3	0	0	111.6	W104 C105 L106 N111 I112	W104-Q108 HydrophobicContact CD2-CG 3.78Å; W104-Q108 HydrophobicContact CE3-CG 3.88Å; W104-Q108 HydrophobicContact CH2-CG 3.64Å; W104-Q108 HydrophobicContact CZ2-CG 3.52Å; W104-Q108 HydrophobicContact CZ3-CG 3.81Å; W104-Q108 WeakPolarHBondContact O-CG 3.3Å; W104-Q108 PolarHBondContact O-N 3.48Å; C105-Q108 PolarHBondContact O-N 3.09Å; L106-Q108 PolarHBondContact O-N 3.43Å; Q108-N111 CarbonylContact O-C 3.54Å; Q108-N111 PolarHBondContact O-N 2.97Å; Q108-I112 WeakPolarHBondContact O-CB 3.22Å; Q108-I112 VanDerWaalsContact O-CG1 3.23Å; Q108-I112 WeakPolarHBondContact O-CG1 3.46Å; Q108-I112 PolarHBondContact O-N 2.99Å
109	L	67.4	Low	68.7	Low	40 Å²	40	54.1 Å²	54.1	21%	0.209	26%	0.264	C	S	.	.	H	α-helix	trans	-64.5	-45.6	176.1	-75.8	166.6	0	0	0	111.1	F44 L48 M51 C105 L106 N111 I112 Q113	F44-L109 HydrophobicContact CE2-CD2 3.9Å; F44-L109 HydrophobicContact CZ-CB 4.01Å; F44-L109 HydrophobicContact CZ-CD2 3.95Å; F44-L109 WeakPolarHBondContact CZ-O 3.5Å; L48-L109 HydrophobicContact CD2-CB 3.85Å; M51-L109 HydrophobicContact CE-CD1 3.65Å; M51-L109 HydrophobicContact SD-CD1 3.23Å; M51-L109 WeakPolarHBondContact SD-CD1 3.46Å; C105-L109 WeakPolarHBondContact O-CB 3.28Å; C105-L109 WeakPolarHBondContact O-CG 3.38Å; C105-L109 PolarHBondContact O-N 3.21Å; L106-L109 PolarHBondContact O-N 3.41Å; L109-N111 PolarHBondContact O-N 3.01Å; L109-I112 PolarHBondContact O-N 3.03Å; L109-Q113 PolarHBondContact O-N 2.62Å
110	E	65.5	Low	68.1	Low	72 Å²	72	58 Å²	58	34%	0.336	28%	0.284	S	S	.	.	H	α-helix	trans	-56.3	-39.2	172.7	-73.4	171.8	-177.6	0	0	111.3	L48 Q52 L106 Q113	L48-E110 HydrophobicContact CD1-CG 4.36Å; L48-E110 HydrophobicContact CD2-CG 3.96Å; Q52-E110 PolarHBondContact NE2-OE1 3.12Å; L106-E110 WeakPolarHBondContact O-CG 3.43Å; L106-E110 PolarHBondContact O-N 2.91Å; E110-Q113 WeakPolarHBondContact O-CB 3.31Å; E110-Q113 PolarHBondContact O-N 3.3Å
111	N	63.1	Low	67.7	Low	93 Å²	93	60.1 Å²	60.1	50%	0.497	30%	0.296	S	S	.	.	H	α-helix	trans	-73.2	-25	174.9	-71.8	-21.2	0	0	0	114.7	K107 Q108 L109 Q113 T114	K107-N111 WeakPolarHBondContact O-CB 3.37Å; K107-N111 VanDerWaalsContact O-CG 3.25Å; K107-N111 PolarHBondContact O-N 3.49Å; K107-N111 PolarHBondContact O-ND2 3.42Å; Q108-N111 CarbonylContact O-C 3.54Å; Q108-N111 PolarHBondContact O-N 2.97Å; L109-N111 PolarHBondContact O-N 3.01Å; N111-Q113 VanDerWaalsContact C-N 3.35Å; N111-T114 PolarHBondContact O-OG1 2.75Å
112	I	59.1	Low	67.4	Low	72 Å²	72	57.3 Å²	57.3	37%	0.369	28%	0.284	S	S	.	.	H	α-helix	trans	-81.8	-19.5	177.7	-72.5	165.1	0	0	0	111.1	Q108 L109 T114 K115	Q108-I112 WeakPolarHBondContact O-CB 3.22Å; Q108-I112 VanDerWaalsContact O-CG1 3.23Å; Q108-I112 WeakPolarHBondContact O-CG1 3.46Å; Q108-I112 PolarHBondContact O-N 2.99Å; L109-I112 PolarHBondContact O-N 3.03Å; I112-T114 PolarHBondContact O-N 3Å; I112-K115 WeakPolarHBondContact O-CB 3.35Å; I112-K115 PolarHBondContact O-N 3.25Å; I112-K115 VanDerWaalsContact O-N 3.08Å
113	Q	53.5	Low	67	Low	1 Å²	1	57.2 Å²	57.2	1%	0.005	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-20.6	-176.5	-160.6	162.7	-0.8	0	0	114.2	F44 L109 E110 N111 K115 V118 T482	F44-Q113 HydrophobicContact CD1-CB 4.05Å; F44-Q113 HydrophobicContact CD1-CG 3.46Å; F44-Q113 VanDerWaalsContact CD1-CG 3.46Å; F44-Q113 HydrophobicContact CE1-CB 3.51Å; F44-Q113 HydrophobicContact CE1-CG 3.46Å; F44-Q113 VanDerWaalsContact CE1-CG 3.46Å; F44-Q113 HydrophobicContact CZ-CB 4.28Å; L109-Q113 PolarHBondContact O-N 2.62Å; E110-Q113 WeakPolarHBondContact O-CB 3.31Å; E110-Q113 PolarHBondContact O-N 3.3Å; N111-Q113 VanDerWaalsContact C-N 3.35Å; Q113-K115 VanDerWaalsContact C-N 3.26Å; Q113-K115 PolarHBondContact O-N 3.12Å; Q113-V118 HydrophobicContact CG-CG1 4.42Å; Q113-T482 VanDerWaalsContact O-CG2 3.31Å; Q113-T482 WeakPolarHBondContact O-CG2 3.49Å
114	T	51	Low	66.6	Low	67 Å²	67	60.5 Å²	60.5	41%	0.411	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	6.3	179.5	56.2	0	0	0	0	114.4	N111 I112 T486	N111-T114 PolarHBondContact O-OG1 2.75Å; I112-T114 PolarHBondContact O-N 3Å; T114-T486 HydrophobicContact CG2-CG2 4.09Å
115	K	56.9	Low	66.1	Low	126 Å²	126	57.6 Å²	57.6	55%	0.548	30%	0.296	S	S	.	.	S	Bend	trans	-110	146.4	-172.1	-61.1	-174.3	-179.6	-179.6	0	112.5	I112 Q113 P117 V118	I112-K115 WeakPolarHBondContact O-CB 3.35Å; I112-K115 PolarHBondContact O-N 3.25Å; I112-K115 VanDerWaalsContact O-N 3.08Å; Q113-K115 VanDerWaalsContact C-N 3.26Å; Q113-K115 PolarHBondContact O-N 3.12Å; K115-P117 WeakPolarHBondContact O-CD 3.22Å; K115-V118 PolarHBondContact O-N 3.34Å
116	R	62.9	Low	65.9	Low	110 Å²	110	56 Å²	56	42%	0.415	28%	0.284	S	S	.	.	H	α-helix	trans	-28.2	-46.1	172.5	-139.7	-177.3	-147.2	145.9	21.2	115.6	V118 S119 D120 D169	R116-V118 PolarHBondContact O-N 3.45Å; R116-V118 VanDerWaalsContact O-N 3.12Å; R116-S119 WeakPolarHBondContact O-CB 3.27Å; R116-S119 PolarHBondContact O-N 3.03Å; R116-D120 PolarHBondContact O-N 3.31Å; R116-D169 IonicContact CZ-OD2 3.24Å; R116-D169 IonicContact NE-OD2 3.52Å; R116-D169 IonicContact NH2-OD1 2.66Å; R116-D169 IonicContact NH2-OD2 3.61Å; R116-D169 PolarHBondContact NH2-OD2 2.93Å
117	P	66.2	Low	65.9	Low	70 Å²	70	57.9 Å²	57.9	46%	0.455	29%	0.291	S	S	.	.	H	α-helix	trans	-58.5	-30.3	-179.1	-25.1	35.4	0	0	0	115.1	K115 M121	K115-P117 WeakPolarHBondContact O-CD 3.22Å; P117-M121 VanDerWaalsContact O-CG 3.29Å; P117-M121 WeakPolarHBondContact O-CG 3.48Å; P117-M121 PolarHBondContact O-N 2.77Å
118	V	65.3	Low	66	Low	3 Å²	3	62 Å²	62	2%	0.018	31%	0.305	C	S	.	.	H	α-helix	trans	-74.1	-42.2	177.2	174.5	0	0	0	0	111	F44 Q113 K115 R116 M121 A122 T482	F44-V118 HydrophobicContact CB-CB 4.36Å; F44-V118 HydrophobicContact CB-CG1 3.53Å; F44-V118 HydrophobicContact CB-CG2 4.05Å; F44-V118 HydrophobicContact CD1-CG1 4.21Å; F44-V118 HydrophobicContact CD1-CG2 4.08Å; F44-V118 HydrophobicContact CD2-CG2 3.53Å; F44-V118 HydrophobicContact CE1-CG2 4.43Å; F44-V118 HydrophobicContact CE2-CG2 3.95Å; F44-V118 HydrophobicContact CG-CB 4.37Å; F44-V118 HydrophobicContact CG-CG1 3.86Å; F44-V118 HydrophobicContact CG-CG2 3.59Å; F44-V118 HydrophobicContact CZ-CG2 4.37Å; Q113-V118 HydrophobicContact CG-CG1 4.42Å; K115-V118 PolarHBondContact O-N 3.34Å; R116-V118 PolarHBondContact O-N 3.45Å; R116-V118 VanDerWaalsContact O-N 3.12Å; V118-M121 PolarHBondContact O-N 2.65Å; V118-A122 PolarHBondContact O-N 3.04Å; V118-T482 HydrophobicContact CB-CG2 4.26Å; V118-T482 HydrophobicContact CG1-CG2 3.67Å
119	S	67.5	Low	66.3	Low	4 Å²	4	61.4 Å²	61.4	3%	0.028	30%	0.303	C	S	.	.	H	α-helix	trans	-62.7	-43.3	173.6	-171.6	0	0	0	0	111.2	R116 M121 A122 F123 D479	R116-S119 WeakPolarHBondContact O-CB 3.27Å; R116-S119 PolarHBondContact O-N 3.03Å; S119-M121 VanDerWaalsContact C-N 3.29Å; S119-M121 PolarHBondContact O-N 2.64Å; S119-A122 CarbonylContact O-C 3.51Å; S119-A122 WeakPolarHBondContact O-CA 3.38Å; S119-A122 WeakPolarHBondContact O-CB 3.21Å; S119-A122 PolarHBondContact O-N 2.67Å; S119-F123 VanDerWaalsContact O-CB 3.31Å; S119-F123 WeakPolarHBondContact O-CB 3.4Å; S119-F123 PolarHBondContact O-N 3.36Å; S119-D479 WeakPolarHBondContact CB-OD1 3.35Å; S119-D479 PolarHBondContact OG-N 2.7Å; S119-D479 PolarHBondContact OG-OD1 3.31Å
120	D	70.5	Confident	66.9	Low	82 Å²	82	59.9 Å²	59.9	44%	0.439	30%	0.295	S	S	.	.	H	α-helix	trans	-58.8	-40.3	176.8	-58.5	-25.8	0	0	0	111.7	R116 S124	R116-D120 PolarHBondContact O-N 3.31Å; D120-S124 VanDerWaalsContact O-CB 3.3Å; D120-S124 WeakPolarHBondContact O-CB 3.29Å; D120-S124 PolarHBondContact O-N 2.58Å
121	M	69.6	Low	67.5	Low	102 Å²	102	58.8 Å²	58.8	50%	0.502	29%	0.292	S	S	.	.	H	α-helix	trans	-66.6	-40.7	174.2	-73.3	-176.8	-162.9	0	0	112.3	P43 P117 V118 S119 K125	P43-M121 HydrophobicContact CB-CB 4.48Å; P43-M121 HydrophobicContact CG-CB 4.15Å; P117-M121 VanDerWaalsContact O-CG 3.29Å; P117-M121 WeakPolarHBondContact O-CG 3.48Å; P117-M121 PolarHBondContact O-N 2.77Å; V118-M121 PolarHBondContact O-N 2.65Å; S119-M121 VanDerWaalsContact C-N 3.29Å; S119-M121 PolarHBondContact O-N 2.64Å; M121-K125 WeakPolarHBondContact O-CB 3.32Å; M121-K125 PolarHBondContact O-N 3.31Å; M121-K125 VanDerWaalsContact O-N 3.11Å
122	A	69.4	Low	68.4	Low	9 Å²	9	61.8 Å²	61.8	7%	0.074	30%	0.3	C	S	.	.	H	α-helix	trans	-64.9	-48.3	176.4	0	0	0	0	0	111	T42 V118 S119 K125 F126 A478	T42-A122 HydrophobicContact CG2-CB 3.67Å; V118-A122 PolarHBondContact O-N 3.04Å; S119-A122 CarbonylContact O-C 3.51Å; S119-A122 WeakPolarHBondContact O-CA 3.38Å; S119-A122 WeakPolarHBondContact O-CB 3.21Å; S119-A122 PolarHBondContact O-N 2.67Å; A122-K125 PolarHBondContact O-N 2.96Å; A122-F126 VanDerWaalsContact O-CB 3.3Å; A122-F126 WeakPolarHBondContact O-CB 3.32Å; A122-F126 PolarHBondContact O-N 3.23Å; A122-A478 HydrophobicContact CB-CB 4.13Å
123	F	73.1	Confident	69.5	Low	29 Å²	29	63.4 Å²	63.4	13%	0.127	31%	0.306	C	S	.	.	H	α-helix	trans	-55.6	-53.5	175.1	172.3	-101.6	0	0	0	111.5	S119 K125 F126 K127 E157 M474 A478	S119-F123 VanDerWaalsContact O-CB 3.31Å; S119-F123 WeakPolarHBondContact O-CB 3.4Å; S119-F123 PolarHBondContact O-N 3.36Å; F123-K125 VanDerWaalsContact C-N 3.32Å; F123-K125 PolarHBondContact O-N 2.92Å; F123-F126 PolarHBondContact O-N 3.38Å; F123-F126 VanDerWaalsContact O-N 3.15Å; F123-K127 HydrophobicContact CE1-CD 4.22Å; F123-K127 HydrophobicContact CZ-CD 4.14Å; F123-K127 VanDerWaalsContact O-CB 3.31Å; F123-K127 WeakPolarHBondContact O-CB 3.37Å; F123-K127 PolarHBondContact O-N 3.06Å; F123-E157 WeakPolarHBondContact CZ-OE2 3.47Å; F123-M474 HydrophobicContact CD2-CB 3.83Å; F123-M474 HydrophobicContact CE2-CB 3.6Å; F123-A478 HydrophobicContact CB-CB 3.85Å
124	S	71.1	Confident	71	Confident	78 Å²	78	63.4 Å²	63.4	55%	0.545	31%	0.306	S	S	.	.	H	α-helix	trans	-59.4	-42.5	179.9	-176.9	0	0	0	0	112	D120 R128	D120-S124 VanDerWaalsContact O-CB 3.3Å; D120-S124 WeakPolarHBondContact O-CB 3.29Å; D120-S124 PolarHBondContact O-N 2.58Å; S124-R128 WeakPolarHBondContact O-CB 3.45Å; S124-R128 PolarHBondContact O-N 3.43Å; S124-R128 VanDerWaalsContact O-N 3.14Å
125	K	68.6	Low	72.6	Confident	39 Å²	39	64.9 Å²	64.9	17%	0.17	31%	0.312	C	S	.	.	H	α-helix	trans	-65.9	-44.2	175.6	-179.8	172.9	169.8	-168.9	0	111.5	V41 P43 M121 A122 F123 R128 L129	V41-K125 PolarHBondContact O-NZ 2.71Å; P43-K125 HydrophobicContact CG-CB 4.09Å; P43-K125 HydrophobicContact CG-CD 3.63Å; M121-K125 WeakPolarHBondContact O-CB 3.32Å; M121-K125 PolarHBondContact O-N 3.31Å; M121-K125 VanDerWaalsContact O-N 3.11Å; A122-K125 PolarHBondContact O-N 2.96Å; F123-K125 VanDerWaalsContact C-N 3.32Å; F123-K125 PolarHBondContact O-N 2.92Å; K125-R128 PolarHBondContact O-N 3.29Å; K125-L129 HydrophobicContact CG-CD1 4.04Å; K125-L129 WeakPolarHBondContact O-CG 3.24Å; K125-L129 PolarHBondContact O-N 2.97Å
126	F	70.1	Confident	73.9	Confident	17 Å²	17	63 Å²	63	8%	0.075	31%	0.314	C	S	.	.	H	α-helix	trans	-64.4	-50.9	-179.2	-165	-89.2	0	0	0	110.9	I40 A122 F123 R128 L129 L130 M474 L477	I40-F126 HydrophobicContact CD1-CD2 4.04Å; I40-F126 HydrophobicContact CD1-CE2 3.79Å; I40-F126 HydrophobicContact CG2-CD2 4.12Å; A122-F126 VanDerWaalsContact O-CB 3.3Å; A122-F126 WeakPolarHBondContact O-CB 3.32Å; A122-F126 PolarHBondContact O-N 3.23Å; F123-F126 PolarHBondContact O-N 3.38Å; F123-F126 VanDerWaalsContact O-N 3.15Å; F126-R128 PolarHBondContact O-N 3.43Å; F126-L129 PolarHBondContact O-N 2.84Å; F126-L130 HydrophobicContact CD1-CB 4.43Å; F126-L130 HydrophobicContact CE1-CB 4.3Å; F126-L130 HydrophobicContact CE1-CD2 4.07Å; F126-L130 WeakPolarHBondContact O-CB 3.32Å; F126-L130 PolarHBondContact O-N 3.46Å; F126-M474 HydrophobicContact CD1-SD 3.49Å; F126-M474 WeakPolarHBondContact CD1-SD 3.2Å; F126-M474 HydrophobicContact CE1-CE 4.31Å; F126-M474 HydrophobicContact CE1-SD 3.31Å; F126-M474 WeakPolarHBondContact CE1-SD 3.39Å; F126-L477 HydrophobicContact CE1-CD2 4.09Å; F126-L477 HydrophobicContact CE2-CD2 4.32Å; F126-L477 HydrophobicContact CZ-CD2 3.84Å
127	K	74.3	Confident	75	Confident	48 Å²	48	59.3 Å²	59.3	21%	0.209	30%	0.301	C	S	.	.	H	α-helix	trans	-52	-43.2	174.6	-174.1	172.7	-171.6	170.1	0	111.5	F123 N131 E157	F123-K127 HydrophobicContact CE1-CD 4.22Å; F123-K127 HydrophobicContact CZ-CD 4.14Å; F123-K127 VanDerWaalsContact O-CB 3.31Å; F123-K127 WeakPolarHBondContact O-CB 3.37Å; F123-K127 PolarHBondContact O-N 3.06Å; K127-N131 VanDerWaalsContact O-CB 3.25Å; K127-N131 WeakPolarHBondContact O-CB 3.37Å; K127-N131 VanDerWaalsContact O-CG 3.3Å; K127-N131 PolarHBondContact O-N 2.73Å; K127-N131 PolarHBondContact O-ND2 2.84Å; K127-E157 PolarHBondContact NZ-O 2.7Å
128	R	74.4	Confident	75.8	Confident	176 Å²	176	56.3 Å²	56.3	66%	0.664	28%	0.283	S	S	*	.	H	α-helix	trans	-67.7	-42.5	177.5	-170.1	-178.5	68.1	167.2	0.6	113.1	S124 K125 F126 K132	S124-R128 WeakPolarHBondContact O-CB 3.45Å; S124-R128 PolarHBondContact O-N 3.43Å; S124-R128 VanDerWaalsContact O-N 3.14Å; K125-R128 PolarHBondContact O-N 3.29Å; F126-R128 PolarHBondContact O-N 3.43Å; R128-K132 WeakPolarHBondContact O-CB 3.23Å; R128-K132 PolarHBondContact O-N 3.34Å; R128-K132 VanDerWaalsContact O-N 3.14Å
129	L	73.9	Confident	76.7	Confident	51 Å²	51	64.2 Å²	64.2	27%	0.267	32%	0.32	S	S	.	.	H	α-helix	trans	-66.9	-47.2	178.5	-72.5	172.8	0	0	0	110.9	I40 K125 F126 N131 K132 E133	I40-L129 HydrophobicContact CD1-CD1 4.11Å; I40-L129 HydrophobicContact CG1-CD1 4.04Å; I40-L129 HydrophobicContact CG2-CD1 4.17Å; K125-L129 HydrophobicContact CG-CD1 4.04Å; K125-L129 WeakPolarHBondContact O-CG 3.24Å; K125-L129 PolarHBondContact O-N 2.97Å; F126-L129 PolarHBondContact O-N 2.84Å; L129-N131 PolarHBondContact O-N 3.25Å; L129-K132 WeakPolarHBondContact O-CB 3.37Å; L129-K132 PolarHBondContact O-N 3.39Å; L129-K132 VanDerWaalsContact O-N 3.13Å; L129-E133 PolarHBondContact O-N 2.93Å
130	L	78.3	Confident	77.6	Confident	8 Å²	8	66.9 Å²	66.9	4%	0.042	34%	0.342	C	S	.	.	H	α-helix	trans	-61.5	-46.1	178.1	-177.6	61.9	0	0	0	111.3	F126 K132 E133 L134 L156 M474 F572	F126-L130 HydrophobicContact CD1-CB 4.43Å; F126-L130 HydrophobicContact CE1-CB 4.3Å; F126-L130 HydrophobicContact CE1-CD2 4.07Å; F126-L130 WeakPolarHBondContact O-CB 3.32Å; F126-L130 PolarHBondContact O-N 3.46Å; L130-K132 VanDerWaalsContact C-N 3.27Å; L130-K132 PolarHBondContact O-N 2.79Å; L130-E133 PolarHBondContact O-N 2.85Å; L130-E133 VanDerWaalsContact O-N 3.15Å; L130-L134 HydrophobicContact CD1-CD1 3.87Å; L130-L134 HydrophobicContact CD1-CD2 4.38Å; L130-L134 HydrophobicContact CD1-CG 3.8Å; L130-L134 HydrophobicContact CD2-CD1 4.28Å; L130-L134 HydrophobicContact CG-CD1 3.71Å; L130-L134 HydrophobicContact CG-CG 4.07Å; L130-L134 VanDerWaalsContact O-CB 3.32Å; L130-L134 WeakPolarHBondContact O-CB 3.48Å; L130-L134 WeakPolarHBondContact O-CG 3.37Å; L130-L134 PolarHBondContact O-N 3.46Å; L130-L156 HydrophobicContact CD2-CD2 4.02Å; L130-M474 HydrophobicContact CD2-CE 3.23Å; L130-M474 HydrophobicContact CD2-SD 3.77Å; L130-F572 HydrophobicContact CD1-CB 4.46Å; L130-F572 HydrophobicContact CD1-CD1 3.99Å
131	N	79.7	Confident	78.5	Confident	50 Å²	50	65.7 Å²	65.7	27%	0.267	34%	0.336	S	S	.	.	H	α-helix	trans	-57.7	-39.8	174.2	-84.2	-38.9	0	0	0	112.4	K127 L129 N135 L156	K127-N131 VanDerWaalsContact O-CB 3.25Å; K127-N131 WeakPolarHBondContact O-CB 3.37Å; K127-N131 VanDerWaalsContact O-CG 3.3Å; K127-N131 PolarHBondContact O-N 2.73Å; K127-N131 PolarHBondContact O-ND2 2.84Å; L129-N131 PolarHBondContact O-N 3.25Å; N131-N135 VanDerWaalsContact O-CB 3.24Å; N131-N135 WeakPolarHBondContact O-CB 3.29Å; N131-N135 PolarHBondContact O-N 3.17Å; N131-N135 PolarHBondContact O-ND2 2.99Å; N131-N135 VanDerWaalsContact O-ND2 3.14Å; N131-L156 WeakPolarHBondContact OD1-CD1 3.5Å
132	K	81	Confident	79.3	Confident	156 Å²	156	69 Å²	69	68%	0.678	35%	0.347	S	S	*	.	H	α-helix	trans	-65.1	-43.9	177	-175.3	-175.5	174.6	-171.2	0	111.5	R128 L129 L130 S136	R128-K132 WeakPolarHBondContact O-CB 3.23Å; R128-K132 PolarHBondContact O-N 3.34Å; R128-K132 VanDerWaalsContact O-N 3.14Å; L129-K132 WeakPolarHBondContact O-CB 3.37Å; L129-K132 PolarHBondContact O-N 3.39Å; L129-K132 VanDerWaalsContact O-N 3.13Å; L130-K132 VanDerWaalsContact C-N 3.27Å; L130-K132 PolarHBondContact O-N 2.79Å; K132-S136 PolarHBondContact O-N 2.94Å; K132-S136 VanDerWaalsContact O-N 3.14Å
133	E	82.5	Confident	80.2	Confident	106 Å²	106	68.9 Å²	68.9	50%	0.495	35%	0.346	S	S	.	.	H	α-helix	trans	-68.1	-45.8	178.8	-72.6	-175.4	179	0	0	111.9	L129 L130 N135 S136 F137 F572	L129-E133 PolarHBondContact O-N 2.93Å; L130-E133 PolarHBondContact O-N 2.85Å; L130-E133 VanDerWaalsContact O-N 3.15Å; E133-N135 PolarHBondContact O-N 2.89Å; E133-S136 PolarHBondContact O-N 3.15Å; E133-F137 WeakPolarHBondContact O-CB 3.3Å; E133-F137 PolarHBondContact O-N 3.08Å; E133-F572 HydrophobicContact CB-CE1 4.4Å
134	L	85.3	Confident	81	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-64.5	-36.2	178.2	-73.1	-179.7	0	0	0	112.7	L130 F137 G138 S148 I151 F572	L130-L134 HydrophobicContact CD1-CD1 3.87Å; L130-L134 HydrophobicContact CD1-CD2 4.38Å; L130-L134 HydrophobicContact CD1-CG 3.8Å; L130-L134 HydrophobicContact CD2-CD1 4.28Å; L130-L134 HydrophobicContact CG-CD1 3.71Å; L130-L134 HydrophobicContact CG-CG 4.07Å; L130-L134 VanDerWaalsContact O-CB 3.32Å; L130-L134 WeakPolarHBondContact O-CB 3.48Å; L130-L134 WeakPolarHBondContact O-CG 3.37Å; L130-L134 PolarHBondContact O-N 3.46Å; L134-F137 PolarHBondContact O-N 3.31Å; L134-G138 PolarHBondContact O-N 2.99Å; L134-S148 WeakPolarHBondContact CB-OG 3.4Å; L134-S148 PolarHBondContact O-OG 3.45Å; L134-I151 HydrophobicContact CD1-CB 4.13Å; L134-I151 HydrophobicContact CD1-CG2 3.66Å; L134-I151 HydrophobicContact CD2-CB 4.48Å; L134-I151 HydrophobicContact CD2-CD1 3.95Å; L134-I151 HydrophobicContact CD2-CG2 4.42Å; L134-F572 HydrophobicContact CD2-CD1 4.02Å; L134-F572 HydrophobicContact CD2-CD2 3.88Å; L134-F572 HydrophobicContact CD2-CE1 4.17Å; L134-F572 HydrophobicContact CD2-CE2 4.05Å; L134-F572 HydrophobicContact CD2-CG 3.89Å; L134-F572 HydrophobicContact CD2-CZ 4.19Å
135	N	83.5	Confident	82	Confident	99 Å²	99	74 Å²	74	53%	0.529	36%	0.357	S	S	.	.	H	α-helix	trans	-65.6	-50.1	173.2	-75.1	-21.5	0	0	0	111	N131 E133 F137 G138 E139	N131-N135 VanDerWaalsContact O-CB 3.24Å; N131-N135 WeakPolarHBondContact O-CB 3.29Å; N131-N135 PolarHBondContact O-N 3.17Å; N131-N135 PolarHBondContact O-ND2 2.99Å; N131-N135 VanDerWaalsContact O-ND2 3.14Å; E133-N135 PolarHBondContact O-N 2.89Å; N135-F137 PolarHBondContact O-N 3.1Å; N135-G138 PolarHBondContact O-N 3.35Å; N135-E139 WeakPolarHBondContact O-CG 3.49Å; N135-E139 PolarHBondContact O-N 3.08Å
136	S	85.1	Confident	83.2	Confident	86 Å²	86	73.5 Å²	73.5	60%	0.601	36%	0.355	S	S	*	.	H	α-helix	trans	-62.6	-33.1	177	-176.7	0	0	0	0	112.5	K132 E133	K132-S136 PolarHBondContact O-N 2.94Å; K132-S136 VanDerWaalsContact O-N 3.14Å; E133-S136 PolarHBondContact O-N 3.15Å
137	F	86.2	Confident	84.2	Confident	33 Å²	33	72.8 Å²	72.8	15%	0.145	35%	0.353	C	S	.	.	H	α-helix	trans	-71.5	-44.9	177.1	175.3	-101.2	0	0	0	111.5	E133 L134 N135 E139 A140 R144 I147 S568 F572	E133-F137 WeakPolarHBondContact O-CB 3.3Å; E133-F137 PolarHBondContact O-N 3.08Å; L134-F137 PolarHBondContact O-N 3.31Å; N135-F137 PolarHBondContact O-N 3.1Å; F137-E139 VanDerWaalsContact C-N 3.32Å; F137-E139 PolarHBondContact O-N 2.67Å; F137-A140 WeakPolarHBondContact O-CB 3.33Å; F137-A140 PolarHBondContact O-N 3.13Å; F137-R144 HydrophobicContact CD1-CB 3.98Å; F137-R144 HydrophobicContact CD1-CG 4.44Å; F137-R144 HydrophobicContact CE1-CB 3.61Å; F137-R144 HydrophobicContact CE1-CG 3.78Å; F137-R144 HydrophobicContact CE2-CB 4.45Å; F137-R144 HydrophobicContact CE2-CG 3.89Å; F137-R144 HydrophobicContact CZ-CB 3.86Å; F137-R144 HydrophobicContact CZ-CG 3.46Å; F137-R144 VanDerWaalsContact CZ-CG 3.46Å; F137-R144 WeakPolarHBondContact O-CB 3.29Å; F137-R144 WeakPolarHBondContact O-CD 3.31Å; F137-I147 HydrophobicContact CE1-CB 4.29Å; F137-I147 HydrophobicContact CE1-CG2 4.03Å; F137-S568 WeakPolarHBondContact CZ-OG 3.25Å; F137-F572 HydrophobicContact CB-CZ 4.19Å; F137-F572 AromaticContact CD1-CE2 3.96Å; F137-F572 HydrophobicContact CD1-CE2 3.96Å; F137-F572 HydrophobicContact CD1-CZ 4.34Å; F137-F572 HydrophobicContact CD2-CE2 4.06Å; F137-F572 HydrophobicContact CD2-CZ 4.02Å; F137-F572 HydrophobicContact CE1-CE2 4.06Å; F137-F572 HydrophobicContact CE2-CE2 4.15Å; F137-F572 AromaticContact CG-CE2 3.96Å; F137-F572 HydrophobicContact CG-CE2 3.96Å; F137-F572 AromaticContact CG-CZ 3.93Å; F137-F572 HydrophobicContact CG-CZ 3.93Å; F137-F572 HydrophobicContact CZ-CE2 4.15Å
138	G	82.7	Confident	85.1	Confident	6 Å²	6	70.9 Å²	70.9	6%	0.062	35%	0.345	C	S	.	.	H	α-helix	trans	-66.3	-28.3	-177.2	0	0	0	0	0	114.1	L134 N135 A140 H145	L134-G138 PolarHBondContact O-N 2.99Å; N135-G138 PolarHBondContact O-N 3.35Å; G138-A140 PolarHBondContact O-N 3.3Å; G138-H145 WeakPolarHBondContact O-CB 3.37Å
139	E	84.6	Confident	86	Confident	169 Å²	169	63.6 Å²	63.6	79%	0.79	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-16.7	178.1	-75.2	179	-179.6	0	0	114.1	N135 F137	N135-E139 WeakPolarHBondContact O-CG 3.49Å; N135-E139 PolarHBondContact O-N 3.08Å; F137-E139 VanDerWaalsContact C-N 3.32Å; F137-E139 PolarHBondContact O-N 2.67Å
140	A	85.3	Confident	86.9	Confident	61 Å²	61	62.7 Å²	62.7	50%	0.504	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-39.9	-170.8	0	0	0	0	0	114.2	F137 G138	F137-A140 WeakPolarHBondContact O-CB 3.33Å; F137-A140 PolarHBondContact O-N 3.13Å; G138-A140 PolarHBondContact O-N 3.3Å
141	D	88.8	Confident	87.6	Confident	56 Å²	56	62.4 Å²	62.4	30%	0.299	31%	0.314	S	S	.	.			trans	-160.4	166.7	175	68.6	55.7	0	0	0	112.2	S143 R144 H145 K564	D141-S143 VanDerWaalsContact C-N 3.3Å; D141-S143 PolarHBondContact O-N 3.17Å; D141-S143 WeakPolarHBondContact OD1-CA 3.39Å; D141-S143 WeakPolarHBondContact OD1-CB 3.28Å; D141-S143 PolarHBondContact OD1-N 2.75Å; D141-R144 PolarHBondContact O-N 3.43Å; D141-R144 WeakPolarHBondContact OD1-CG 3.22Å; D141-R144 PolarHBondContact OD1-N 3.33Å; D141-R144 IonicContact OD2-NE 3.81Å; D141-H145 PolarHBondContact O-N 3.02Å; D141-K564 IonicContact OD2-NZ 3.17Å
142	K	88.2	Confident	88.1	Confident	171 Å²	171	61.7 Å²	61.7	74%	0.743	31%	0.312	S	S	*	.	H	α-helix	trans	-59	-37.4	-177.2	-172.8	-176.9	177.1	-171.3	0	113.1	H145 Q146	K142-H145 PolarHBondContact O-N 3.47Å; K142-Q146 PolarHBondContact O-N 2.78Å
143	S	88.2	Confident	88.5	Confident	7 Å²	7	59.3 Å²	59.3	5%	0.049	30%	0.304	C	S	.	.	H	α-helix	trans	-68.9	-43.5	178.9	158.6	0	0	0	0	110.9	D141 H145 Q146 I147 E561 K564	D141-S143 VanDerWaalsContact C-N 3.3Å; D141-S143 PolarHBondContact O-N 3.17Å; D141-S143 WeakPolarHBondContact OD1-CA 3.39Å; D141-S143 WeakPolarHBondContact OD1-CB 3.28Å; D141-S143 PolarHBondContact OD1-N 2.75Å; S143-H145 VanDerWaalsContact C-N 3.28Å; S143-H145 PolarHBondContact O-N 2.97Å; S143-Q146 WeakPolarHBondContact O-CB 3.2Å; S143-Q146 PolarHBondContact O-N 3.39Å; S143-I147 VanDerWaalsContact O-CG1 3.26Å; S143-I147 WeakPolarHBondContact O-CG1 3.41Å; S143-I147 PolarHBondContact O-N 3.39Å; S143-E561 WeakPolarHBondContact CB-OE2 3.33Å; S143-E561 PolarHBondContact OG-OE2 2.79Å; S143-K564 WeakPolarHBondContact OG-CD 3.31Å
144	R	90.2	Very high	89	Confident	99 Å²	99	56.1 Å²	56.1	37%	0.374	29%	0.292	S	S	.	.	H	α-helix	trans	-63.6	-35.5	175.1	-67.5	-178.1	171.4	-163.7	-1.7	112.3	F137 D141 I147 S148	F137-R144 HydrophobicContact CD1-CB 3.98Å; F137-R144 HydrophobicContact CD1-CG 4.44Å; F137-R144 HydrophobicContact CE1-CB 3.61Å; F137-R144 HydrophobicContact CE1-CG 3.78Å; F137-R144 HydrophobicContact CE2-CB 4.45Å; F137-R144 HydrophobicContact CE2-CG 3.89Å; F137-R144 HydrophobicContact CZ-CB 3.86Å; F137-R144 HydrophobicContact CZ-CG 3.46Å; F137-R144 VanDerWaalsContact CZ-CG 3.46Å; F137-R144 WeakPolarHBondContact O-CB 3.29Å; F137-R144 WeakPolarHBondContact O-CD 3.31Å; D141-R144 PolarHBondContact O-N 3.43Å; D141-R144 WeakPolarHBondContact OD1-CG 3.22Å; D141-R144 PolarHBondContact OD1-N 3.33Å; D141-R144 IonicContact OD2-NE 3.81Å; R144-I147 PolarHBondContact O-N 3.41Å; R144-S148 VanDerWaalsContact O-CB 3.23Å; R144-S148 WeakPolarHBondContact O-CB 3.3Å; R144-S148 PolarHBondContact O-N 2.91Å
145	H	92.1	Very high	89.3	Confident	117 Å²	117	56.2 Å²	56.2	54%	0.542	29%	0.292	S	S	.	.	H	α-helix	trans	-62	-46.7	171.9	-173.2	70.8	0	0	0	111.7	G138 D141 K142 S143 I147 S148 A149	G138-H145 WeakPolarHBondContact O-CB 3.37Å; D141-H145 PolarHBondContact O-N 3.02Å; K142-H145 PolarHBondContact O-N 3.47Å; S143-H145 VanDerWaalsContact C-N 3.28Å; S143-H145 PolarHBondContact O-N 2.97Å; H145-I147 VanDerWaalsContact C-N 3.35Å; H145-I147 PolarHBondContact O-N 2.95Å; H145-S148 PolarHBondContact O-N 3.27Å; H145-A149 WeakPolarHBondContact O-CB 3.49Å; H145-A149 PolarHBondContact O-N 2.92Å
146	Q	92.1	Very high	89.4	Confident	27 Å²	27	52.1 Å²	52.1	13%	0.126	27%	0.27	C	S	.	.	H	α-helix	trans	-60.5	-43.4	176.6	-173.7	175.5	31.5	0	0	111.9	K142 S143 A149 Y150 P553 S559	K142-Q146 PolarHBondContact O-N 2.78Å; S143-Q146 WeakPolarHBondContact O-CB 3.2Å; S143-Q146 PolarHBondContact O-N 3.39Å; Q146-A149 PolarHBondContact O-N 2.99Å; Q146-Y150 WeakPolarHBondContact O-CB 3.42Å; Q146-Y150 PolarHBondContact O-N 3.32Å; Q146-P553 HydrophobicContact CG-CB 4.19Å; Q146-P553 WeakPolarHBondContact O-CB 3.41Å; Q146-S559 PolarHBondContact NE2-OG 3.47Å; Q146-S559 PolarHBondContact OE1-OG 2.97Å; Q146-S559 VanDerWaalsContact OE1-OG 3.1Å
147	I	92.4	Very high	89.1	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.015	25%	0.245	C	C	.	.	H	α-helix	trans	-63.8	-44	176.7	-67.9	163.5	0	0	0	111	F137 S143 R144 H145 Y150 I151 M554 K564	F137-I147 HydrophobicContact CE1-CB 4.29Å; F137-I147 HydrophobicContact CE1-CG2 4.03Å; S143-I147 VanDerWaalsContact O-CG1 3.26Å; S143-I147 WeakPolarHBondContact O-CG1 3.41Å; S143-I147 PolarHBondContact O-N 3.39Å; R144-I147 PolarHBondContact O-N 3.41Å; H145-I147 VanDerWaalsContact C-N 3.35Å; H145-I147 PolarHBondContact O-N 2.95Å; I147-Y150 WeakPolarHBondContact O-CB 3.45Å; I147-Y150 PolarHBondContact O-N 3.49Å; I147-I151 HydrophobicContact CG2-CD1 3.94Å; I147-I151 WeakPolarHBondContact O-CG1 3.21Å; I147-I151 PolarHBondContact O-N 2.75Å; I147-M554 HydrophobicContact CG1-SD 4.34Å; I147-K564 HydrophobicContact CD1-CB 4.07Å
148	S	92.7	Very high	88.7	Confident	8 Å²	8	50.5 Å²	50.5	6%	0.056	26%	0.258	C	S	.	.	H	α-helix	trans	-61.3	-46.1	177.9	-178.6	0	0	0	0	111.3	L134 R144 H145 I151 C152	L134-S148 WeakPolarHBondContact CB-OG 3.4Å; L134-S148 PolarHBondContact O-OG 3.45Å; R144-S148 VanDerWaalsContact O-CB 3.23Å; R144-S148 WeakPolarHBondContact O-CB 3.3Å; R144-S148 PolarHBondContact O-N 2.91Å; H145-S148 PolarHBondContact O-N 3.27Å; S148-I151 PolarHBondContact O-N 2.92Å; S148-C152 WeakPolarHBondContact O-CB 3.38Å; S148-C152 PolarHBondContact O-N 2.69Å; S148-C152 PolarHBondContact O-SG 3.27Å; S148-C152 VanDerWaalsContact O-SG 3.36Å
149	A	92.4	Very high	88.2	Confident	22 Å²	22	58.3 Å²	58.3	18%	0.182	29%	0.293	C	S	.	.	H	α-helix	trans	-59.8	-46.3	174.8	0	0	0	0	0	111.8	H145 Q146 I151 C152 E153 P553	H145-A149 WeakPolarHBondContact O-CB 3.49Å; H145-A149 PolarHBondContact O-N 2.92Å; Q146-A149 PolarHBondContact O-N 2.99Å; A149-I151 PolarHBondContact O-N 3Å; A149-C152 PolarHBondContact O-N 2.92Å; A149-E153 WeakPolarHBondContact O-CB 3.38Å; A149-E153 WeakPolarHBondContact O-CG 3.15Å; A149-E153 PolarHBondContact O-N 3.33Å; A149-P553 HydrophobicContact CB-CB 4.26Å; A149-P553 HydrophobicContact CB-CG 3.73Å
150	Y	94	Very high	87.7	Confident	33 Å²	33	55.2 Å²	55.2	13%	0.129	28%	0.277	C	S	.	.	H	α-helix	trans	-55.8	-47.7	175.4	167.8	-109.4	0	0	0	112.5	Q146 I147 C152 E153 T154 F155 F537 M554 F569	Q146-Y150 WeakPolarHBondContact O-CB 3.42Å; Q146-Y150 PolarHBondContact O-N 3.32Å; I147-Y150 WeakPolarHBondContact O-CB 3.45Å; I147-Y150 PolarHBondContact O-N 3.49Å; Y150-C152 VanDerWaalsContact C-N 3.35Å; Y150-C152 PolarHBondContact O-N 3.36Å; Y150-E153 PolarHBondContact O-N 3.01Å; Y150-T154 WeakPolarHBondContact CD2-OG1 3.45Å; Y150-T154 HydrophobicContact CE2-CG2 4.25Å; Y150-T154 VanDerWaalsContact CE2-OG1 3.31Å; Y150-T154 WeakPolarHBondContact CE2-OG1 3.43Å; Y150-T154 WeakPolarHBondContact O-CB 3.28Å; Y150-T154 PolarHBondContact O-N 3.15Å; Y150-T154 PolarHBondContact O-OG1 2.97Å; Y150-F155 AromaticContact CE1-CE2 3.93Å; Y150-F155 HydrophobicContact CE1-CE2 3.93Å; Y150-F155 AromaticContact CZ-CE2 3.97Å; Y150-F537 HydrophobicContact CE2-CE2 4.32Å; Y150-F537 HydrophobicContact CE2-CZ 4.19Å; Y150-M554 HydrophobicContact CD1-CG 3.91Å; Y150-M554 HydrophobicContact CD2-CB 4.13Å; Y150-M554 HydrophobicContact CD2-CG 3.78Å; Y150-M554 HydrophobicContact CE2-CG 4.45Å; Y150-M554 HydrophobicContact CG-CB 4.33Å; Y150-M554 HydrophobicContact CG-CG 3.48Å; Y150-M554 VanDerWaalsContact CG-CG 3.48Å; Y150-F569 HydrophobicContact CE1-CD2 4.41Å
151	I	92.8	Very high	87.1	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-64.7	-43.1	-179.2	-66	164.9	0	0	0	110.5	L134 I147 S148 A149 F155 F572 V573	L134-I151 HydrophobicContact CD1-CB 4.13Å; L134-I151 HydrophobicContact CD1-CG2 3.66Å; L134-I151 HydrophobicContact CD2-CB 4.48Å; L134-I151 HydrophobicContact CD2-CD1 3.95Å; L134-I151 HydrophobicContact CD2-CG2 4.42Å; I147-I151 HydrophobicContact CG2-CD1 3.94Å; I147-I151 WeakPolarHBondContact O-CG1 3.21Å; I147-I151 PolarHBondContact O-N 2.75Å; S148-I151 PolarHBondContact O-N 2.92Å; A149-I151 PolarHBondContact O-N 3Å; I151-F155 HydrophobicContact CG2-CD2 4.39Å; I151-F155 WeakPolarHBondContact O-CB 3.22Å; I151-F155 PolarHBondContact O-N 3.38Å; I151-F572 HydrophobicContact CD1-CB 3.84Å; I151-F572 HydrophobicContact CD1-CD2 3.83Å; I151-F572 HydrophobicContact CD1-CG 4.18Å; I151-V573 HydrophobicContact CG1-CG2 4.33Å; I151-V573 HydrophobicContact CG2-CG2 4.08Å
152	C	90.3	Very high	86.4	Confident	35 Å²	35	53 Å²	53	24%	0.236	26%	0.258	C	S	.	.	H	α-helix	trans	-64.9	-42.8	178.2	-72.3	0	0	0	0	112.8	S148 A149 Y150 L156	S148-C152 WeakPolarHBondContact O-CB 3.38Å; S148-C152 PolarHBondContact O-N 2.69Å; S148-C152 PolarHBondContact O-SG 3.27Å; S148-C152 VanDerWaalsContact O-SG 3.36Å; A149-C152 PolarHBondContact O-N 2.92Å; Y150-C152 VanDerWaalsContact C-N 3.35Å; Y150-C152 PolarHBondContact O-N 3.36Å; C152-L156 HydrophobicContact CB-CD1 4.11Å; C152-L156 WeakPolarHBondContact O-CB 3.39Å
153	E	89.6	Confident	85.7	Confident	107 Å²	107	51.4 Å²	51.4	50%	0.5	25%	0.254	S	S	.	.	H	α-helix	trans	-74.4	-28.5	-178.9	-72.4	173.2	-161.7	0	0	112.9	A149 Y150 P553	A149-E153 WeakPolarHBondContact O-CB 3.38Å; A149-E153 WeakPolarHBondContact O-CG 3.15Å; A149-E153 PolarHBondContact O-N 3.33Å; Y150-E153 PolarHBondContact O-N 3.01Å; E153-P553 WeakPolarHBondContact OE2-CD 3.23Å; E153-P553 WeakPolarHBondContact OE2-CG 3.38Å
154	T	93	Very high	85	Confident	38 Å²	38	52.7 Å²	52.7	23%	0.233	26%	0.261	C	S	.	.	H	α-helix	trans	-98.6	-36.9	-173.1	-49.2	0	0	0	0	113.1	Y150 M470 S471	Y150-T154 WeakPolarHBondContact CD2-OG1 3.45Å; Y150-T154 HydrophobicContact CE2-CG2 4.25Å; Y150-T154 VanDerWaalsContact CE2-OG1 3.31Å; Y150-T154 WeakPolarHBondContact CE2-OG1 3.43Å; Y150-T154 WeakPolarHBondContact O-CB 3.28Å; Y150-T154 PolarHBondContact O-N 3.15Å; Y150-T154 PolarHBondContact O-OG1 2.97Å; T154-M470 HydrophobicContact CG2-CB 3.86Å; T154-M470 HydrophobicContact CG2-CG 4.45Å; T154-M470 CarbonylContact O-C 3.6Å; T154-M470 WeakPolarHBondContact O-CB 3.48Å; T154-S471 WeakPolarHBondContact O-CA 3.49Å; T154-S471 PolarHBondContact O-N 2.95Å
155	F	91.9	Very high	84.2	Confident	3 Å²	3	48.7 Å²	48.7	1%	0.013	25%	0.247	C	C	.	.	H	α-helix	trans	-113.8	-1.2	-170	-60.6	-84.5	0	0	0	114.7	Y150 I151 M470 H473 M474 L516 F569 V573	Y150-F155 AromaticContact CE1-CE2 3.93Å; Y150-F155 HydrophobicContact CE1-CE2 3.93Å; Y150-F155 AromaticContact CZ-CE2 3.97Å; I151-F155 HydrophobicContact CG2-CD2 4.39Å; I151-F155 WeakPolarHBondContact O-CB 3.22Å; I151-F155 PolarHBondContact O-N 3.38Å; F155-M470 WeakPolarHBondContact CA-O 3.16Å; F155-M470 HydrophobicContact CD1-CB 4.08Å; F155-M470 HydrophobicContact CD1-SD 4.33Å; F155-M470 HydrophobicContact CE1-CB 3.93Å; F155-M470 HydrophobicContact CE1-CG 4.09Å; F155-M470 HydrophobicContact CE1-SD 3.57Å; F155-M470 VanDerWaalsContact CE1-SD 3.57Å; F155-M470 HydrophobicContact CZ-SD 4.34Å; F155-H473 HydrophobicContact CB-CB 4.36Å; F155-H473 HydrophobicContact CD1-CB 3.82Å; F155-H473 AromaticContact CD1-CG 3.98Å; F155-M474 HydrophobicContact CB-CE 4.12Å; F155-M474 WeakPolarHBondContact O-CG 3.47Å; F155-L516 HydrophobicContact CE1-CD1 4.4Å; F155-F569 HydrophobicContact CE1-CE2 4.23Å; F155-F569 HydrophobicContact CE2-CD2 4.36Å; F155-F569 AromaticContact CE2-CE2 3.83Å; F155-F569 HydrophobicContact CE2-CE2 3.83Å; F155-F569 HydrophobicContact CZ-CD2 4.4Å; F155-F569 AromaticContact CZ-CE2 3.46Å; F155-F569 HydrophobicContact CZ-CE2 3.46Å; F155-F569 VanDerWaalsContact CZ-CE2 3.46Å; F155-F569 HydrophobicContact CZ-CZ 4.19Å; F155-V573 HydrophobicContact CD1-CG1 3.76Å; F155-V573 HydrophobicContact CD2-CG2 4.02Å; F155-V573 HydrophobicContact CE1-CG1 3.7Å; F155-V573 HydrophobicContact CE2-CG1 4.5Å; F155-V573 HydrophobicContact CE2-CG2 4.27Å; F155-V573 HydrophobicContact CG-CG1 4.2Å; F155-V573 HydrophobicContact CG-CG2 4.2Å; F155-V573 HydrophobicContact CZ-CG1 4.12Å
156	L	85	Confident	83.3	Confident	12 Å²	12	49.2 Å²	49.2	6%	0.063	25%	0.25	C	C	.	.	S	Bend	trans	-113.7	124.3	175.4	-57.1	179.5	0	0	0	110.6	L130 N131 C152 T158 M474	L130-L156 HydrophobicContact CD2-CD2 4.02Å; N131-L156 WeakPolarHBondContact OD1-CD1 3.5Å; C152-L156 HydrophobicContact CB-CD1 4.11Å; C152-L156 WeakPolarHBondContact O-CB 3.39Å; L156-T158 PolarHBondContact O-N 2.83Å; L156-M474 HydrophobicContact CD2-CE 4.17Å; L156-M474 HydrophobicContact CD2-CG 3.56Å; L156-M474 HydrophobicContact CD2-SD 4.39Å
157	E	79.5	Confident	82.6	Confident	15 Å²	15	54.6 Å²	54.6	7%	0.07	28%	0.275	C	S	.	.			trans	-57.2	129.2	169.6	-58.4	-178.5	153.9	0	0	111.1	F123 K127 D161 V162 N165 S471	F123-E157 WeakPolarHBondContact CZ-OE2 3.47Å; K127-E157 PolarHBondContact NZ-O 2.7Å; E157-D161 HydrophobicContact CB-CB 3.97Å; E157-D161 HydrophobicContact CG-CB 4.47Å; E157-V162 HydrophobicContact CB-CG2 3.87Å; E157-V162 WeakPolarHBondContact OE2-CG2 3.35Å; E157-N165 PolarHBondContact OE1-ND2 3.14Å; E157-S471 WeakPolarHBondContact CG-O 3.31Å; E157-S471 PolarHBondContact N-O 3.1Å
158	T	77.8	Confident	81.8	Confident	70 Å²	70	55.6 Å²	55.6	43%	0.429	28%	0.28	S	S	.	.			trans	-71.2	166	164.9	70.8	0	0	0	0	110.3	L156 K160 D161 V162	L156-T158 PolarHBondContact O-N 2.83Å; T158-K160 PolarHBondContact O-N 2.73Å; T158-D161 VanDerWaalsContact CB-OD2 3.28Å; T158-D161 WeakPolarHBondContact CB-OD2 3.26Å; T158-D161 WeakPolarHBondContact CG2-OD2 3.25Å; T158-D161 PolarHBondContact N-OD2 3.35Å; T158-D161 PolarHBondContact O-N 2.75Å; T158-D161 VanDerWaalsContact O-N 3.09Å; T158-D161 PolarHBondContact OG1-N 2.97Å; T158-D161 PolarHBondContact OG1-OD1 3.31Å; T158-D161 PolarHBondContact OG1-OD2 3.06Å; T158-V162 WeakPolarHBondContact O-CG2 3.48Å; T158-V162 PolarHBondContact O-N 3.22Å
159	E	72.2	Confident	80.9	Confident	170 Å²	170	57.7 Å²	57.7	79%	0.794	29%	0.291	S	S	*	.	H	α-helix	trans	-57.4	-34.9	176	-68.1	-176.2	166.8	0	0	112.1	V162 E163	E159-V162 PolarHBondContact O-N 3.4Å; E159-E163 PolarHBondContact O-N 3.5Å
160	K	72.5	Confident	80.2	Confident	104 Å²	104	58.8 Å²	58.8	45%	0.452	30%	0.297	S	S	.	.	H	α-helix	trans	-68.7	-38.5	176.4	-171.6	-178.2	173.6	-170.8	0	112	T158 V162 E163 T164 D422	T158-K160 PolarHBondContact O-N 2.73Å; K160-V162 VanDerWaalsContact C-N 3.34Å; K160-E163 PolarHBondContact O-N 2.9Å; K160-T164 PolarHBondContact O-N 3.48Å; K160-T164 PolarHBondContact O-OG1 3.15Å; K160-D422 IonicContact NZ-OD2 3.37Å; K160-D422 PolarHBondContact NZ-OD2 3.04Å
161	D	74.5	Confident	79.4	Confident	32 Å²	32	60.9 Å²	60.9	17%	0.171	31%	0.309	C	S	.	.	H	α-helix	trans	-65.7	-41.4	177	-55.7	-35.8	0	0	0	110.5	E157 T158 T164 N165	E157-D161 HydrophobicContact CB-CB 3.97Å; E157-D161 HydrophobicContact CG-CB 4.47Å; T158-D161 VanDerWaalsContact CB-OD2 3.28Å; T158-D161 WeakPolarHBondContact CB-OD2 3.26Å; T158-D161 WeakPolarHBondContact CG2-OD2 3.25Å; T158-D161 PolarHBondContact N-OD2 3.35Å; T158-D161 PolarHBondContact O-N 2.75Å; T158-D161 VanDerWaalsContact O-N 3.09Å; T158-D161 PolarHBondContact OG1-N 2.97Å; T158-D161 PolarHBondContact OG1-OD1 3.31Å; T158-D161 PolarHBondContact OG1-OD2 3.06Å; D161-T164 PolarHBondContact O-N 3.1Å; D161-N165 WeakPolarHBondContact O-CB 3.46Å; D161-N165 PolarHBondContact O-N 3.41Å; D161-N165 PolarHBondContact O-ND2 2.8Å
162	V	72.9	Confident	78.5	Confident	40 Å²	40	61.2 Å²	61.2	24%	0.242	31%	0.311	C	S	.	.	H	α-helix	trans	-58.4	-51.4	176.3	176.5	0	0	0	0	110.9	E157 T158 E159 K160 T164 N165 E166	E157-V162 HydrophobicContact CB-CG2 3.87Å; E157-V162 WeakPolarHBondContact OE2-CG2 3.35Å; T158-V162 WeakPolarHBondContact O-CG2 3.48Å; T158-V162 PolarHBondContact O-N 3.22Å; E159-V162 PolarHBondContact O-N 3.4Å; K160-V162 VanDerWaalsContact C-N 3.34Å; V162-T164 VanDerWaalsContact C-N 3.3Å; V162-T164 PolarHBondContact O-N 3.1Å; V162-N165 PolarHBondContact O-N 3.34Å; V162-E166 WeakPolarHBondContact O-CB 3.19Å; V162-E166 WeakPolarHBondContact O-CG 3.35Å; V162-E166 PolarHBondContact O-N 2.93Å
163	E	73.7	Confident	77.8	Confident	137 Å²	137	63.3 Å²	63.3	64%	0.64	32%	0.317	S	S	*	.	H	α-helix	trans	-58.6	-43.6	179	-73.1	-177.3	176	0	0	111.7	E159 K160 E166 E167	E159-E163 PolarHBondContact O-N 3.5Å; K160-E163 PolarHBondContact O-N 2.9Å; E163-E166 PolarHBondContact O-N 3.45Å; E163-E167 PolarHBondContact O-N 2.82Å; E163-E167 VanDerWaalsContact O-N 3.14Å
164	T	73.6	Confident	77.2	Confident	33 Å²	33	66 Å²	66	20%	0.202	32%	0.322	C	S	.	.	H	α-helix	trans	-72.6	-38	-177.8	-42.7	0	0	0	0	111.9	K160 D161 V162 E167 I168 A423	K160-T164 PolarHBondContact O-N 3.48Å; K160-T164 PolarHBondContact O-OG1 3.15Å; D161-T164 PolarHBondContact O-N 3.1Å; V162-T164 VanDerWaalsContact C-N 3.3Å; V162-T164 PolarHBondContact O-N 3.1Å; T164-E167 PolarHBondContact O-N 3.44Å; T164-I168 HydrophobicContact CG2-CD1 4.37Å; T164-I168 WeakPolarHBondContact O-CG1 3.28Å; T164-I168 PolarHBondContact O-N 3.46Å; T164-A423 HydrophobicContact CG2-CB 3.36Å
165	N	73.1	Confident	76.3	Confident	15 Å²	15	69.6 Å²	69.6	8%	0.08	33%	0.331	C	S	.	.	H	α-helix	trans	-64.4	-41.1	175	-73.5	-18.8	0	0	0	110.7	E157 D161 V162 E167 I168 D169 K472	E157-N165 PolarHBondContact OE1-ND2 3.14Å; D161-N165 WeakPolarHBondContact O-CB 3.46Å; D161-N165 PolarHBondContact O-N 3.41Å; D161-N165 PolarHBondContact O-ND2 2.8Å; V162-N165 PolarHBondContact O-N 3.34Å; N165-E167 VanDerWaalsContact C-N 3.32Å; N165-E167 PolarHBondContact O-N 3.39Å; N165-I168 PolarHBondContact O-N 3.22Å; N165-D169 WeakPolarHBondContact O-CB 3.4Å; N165-D169 PolarHBondContact O-N 3.22Å; N165-K472 WeakPolarHBondContact OD1-CE 3.47Å
166	E	74.5	Confident	75.4	Confident	129 Å²	129	71.1 Å²	71.1	60%	0.603	34%	0.337	S	S	*	.	H	α-helix	trans	-59.4	-40.4	173.1	-77.1	-176.2	-176.7	0	0	112.2	V162 E163 S170	V162-E166 WeakPolarHBondContact O-CB 3.19Å; V162-E166 WeakPolarHBondContact O-CG 3.35Å; V162-E166 PolarHBondContact O-N 2.93Å; E163-E166 PolarHBondContact O-N 3.45Å; E166-S170 WeakPolarHBondContact O-CB 3.34Å; E166-S170 PolarHBondContact O-N 3.31Å
167	E	76.5	Confident	74.6	Confident	139 Å²	139	74 Å²	74	65%	0.65	36%	0.358	S	S	*	.	H	α-helix	trans	-65	-47.6	175.4	-74.4	-167.1	169.5	0	0	112.2	E163 T164 N165 D169 S170 M171	E163-E167 PolarHBondContact O-N 2.82Å; E163-E167 VanDerWaalsContact O-N 3.14Å; T164-E167 PolarHBondContact O-N 3.44Å; N165-E167 VanDerWaalsContact C-N 3.32Å; N165-E167 PolarHBondContact O-N 3.39Å; E167-D169 VanDerWaalsContact C-N 3.31Å; E167-D169 PolarHBondContact O-N 2.91Å; E167-S170 PolarHBondContact O-N 2.93Å; E167-S170 PolarHBondContact O-OG 2.9Å; E167-M171 PolarHBondContact O-N 3.17Å
168	I	75.7	Confident	73.8	Confident	25 Å²	25	77.1 Å²	77.1	13%	0.128	38%	0.382	C	S	.	.	H	α-helix	trans	-57.9	-48.3	176.7	-70.3	168.3	0	0	0	109.5	T164 N165 S170 M171 L172 L466	T164-I168 HydrophobicContact CG2-CD1 4.37Å; T164-I168 WeakPolarHBondContact O-CG1 3.28Å; T164-I168 PolarHBondContact O-N 3.46Å; N165-I168 PolarHBondContact O-N 3.22Å; I168-S170 PolarHBondContact O-N 3.13Å; I168-M171 CarbonylContact O-C 3.51Å; I168-M171 WeakPolarHBondContact O-CA 3.38Å; I168-M171 WeakPolarHBondContact O-CB 3.47Å; I168-M171 PolarHBondContact O-N 2.82Å; I168-L172 HydrophobicContact CG2-CD1 3.8Å; I168-L172 HydrophobicContact CG2-CG 4.28Å; I168-L172 WeakPolarHBondContact O-CG 3.22Å; I168-L172 PolarHBondContact O-N 3.34Å; I168-L466 HydrophobicContact CG2-CD1 4.18Å
169	D	74.4	Confident	72.6	Confident	52 Å²	52	75.2 Å²	75.2	28%	0.278	38%	0.376	S	S	.	.	H	α-helix	trans	-61.7	-41.1	178.5	-92.4	0.4	0	0	0	112.5	R116 N165 E167 M171 L172 E173	R116-D169 IonicContact CZ-OD2 3.24Å; R116-D169 IonicContact NE-OD2 3.52Å; R116-D169 IonicContact NH2-OD1 2.66Å; R116-D169 IonicContact NH2-OD2 3.61Å; R116-D169 PolarHBondContact NH2-OD2 2.93Å; N165-D169 WeakPolarHBondContact O-CB 3.4Å; N165-D169 PolarHBondContact O-N 3.22Å; E167-D169 VanDerWaalsContact C-N 3.31Å; E167-D169 PolarHBondContact O-N 2.91Å; D169-M171 VanDerWaalsContact C-N 3.26Å; D169-M171 PolarHBondContact O-N 3.5Å; D169-L172 PolarHBondContact O-N 2.91Å; D169-E173 VanDerWaalsContact O-CB 3.29Å; D169-E173 WeakPolarHBondContact O-CB 3.5Å; D169-E173 PolarHBondContact O-N 2.98Å
170	S	76.1	Confident	71.4	Confident	44 Å²	44	73.8 Å²	73.8	31%	0.308	37%	0.369	S	S	.	.	H	α-helix	trans	-63	-34.9	174.2	86.4	0	0	0	0	111.9	E166 E167 I168 R174	E166-S170 WeakPolarHBondContact O-CB 3.34Å; E166-S170 PolarHBondContact O-N 3.31Å; E167-S170 PolarHBondContact O-N 2.93Å; E167-S170 PolarHBondContact O-OG 2.9Å; I168-S170 PolarHBondContact O-N 3.13Å; S170-R174 WeakPolarHBondContact O-CB 3.41Å; S170-R174 WeakPolarHBondContact O-CG 3.15Å; S170-R174 PolarHBondContact O-N 3.32Å; S170-R174 VanDerWaalsContact O-N 3.11Å; S170-R174 PolarHBondContact O-NE 3.01Å; S170-R174 VanDerWaalsContact O-NE 3.11Å; S170-R174 PolarHBondContact OG-NH2 2.99Å
171	M	77.6	Confident	69.6	Low	78 Å²	78	73.2 Å²	73.2	38%	0.384	38%	0.379	S	S	.	.	H	α-helix	trans	-73	-42.6	177.8	-179.3	-177.4	57.6	0	0	110.4	E167 I168 D169 R174 R175	E167-M171 PolarHBondContact O-N 3.17Å; I168-M171 CarbonylContact O-C 3.51Å; I168-M171 WeakPolarHBondContact O-CA 3.38Å; I168-M171 WeakPolarHBondContact O-CB 3.47Å; I168-M171 PolarHBondContact O-N 2.82Å; D169-M171 VanDerWaalsContact C-N 3.26Å; D169-M171 PolarHBondContact O-N 3.5Å; M171-R174 PolarHBondContact O-N 3.47Å; M171-R175 WeakPolarHBondContact O-CG 3.36Å; M171-R175 PolarHBondContact O-N 3.36Å
172	L	75.3	Confident	67.9	Low	8 Å²	8	79.6 Å²	79.6	4%	0.042	41%	0.407	C	S	.	.	H	α-helix	trans	-63.6	-44.1	175.9	-68.7	171.5	0	0	0	110.9	I168 D169 R174 R175 R176 E463	I168-L172 HydrophobicContact CG2-CD1 3.8Å; I168-L172 HydrophobicContact CG2-CG 4.28Å; I168-L172 WeakPolarHBondContact O-CG 3.22Å; I168-L172 PolarHBondContact O-N 3.34Å; D169-L172 PolarHBondContact O-N 2.91Å; L172-R174 PolarHBondContact O-N 3.5Å; L172-R175 CarbonylContact O-C 3.6Å; L172-R175 WeakPolarHBondContact O-CA 3.43Å; L172-R175 WeakPolarHBondContact O-CB 3.36Å; L172-R175 PolarHBondContact O-N 3.33Å; L172-R176 WeakPolarHBondContact O-CG 3.4Å; L172-R176 PolarHBondContact O-N 3.09Å; L172-E463 HydrophobicContact CD1-CG 3.88Å; L172-E463 HydrophobicContact CD2-CG 3.8Å; L172-E463 HydrophobicContact CG-CG 4.36Å
173	E	75.6	Confident	65.9	Low	78 Å²	78	84.6 Å²	84.6	36%	0.364	43%	0.432	S	S	.	.	H	α-helix	trans	-65	-39.6	178.4	-162.6	58.5	-134	0	0	112.4	D169 R175 R176 S177	D169-E173 VanDerWaalsContact O-CB 3.29Å; D169-E173 WeakPolarHBondContact O-CB 3.5Å; D169-E173 PolarHBondContact O-N 2.98Å; E173-R175 VanDerWaalsContact C-N 3.26Å; E173-R175 PolarHBondContact O-N 2.89Å; E173-R176 PolarHBondContact O-N 3.12Å; E173-R176 VanDerWaalsContact OE2-CD 3.3Å; E173-R176 WeakPolarHBondContact OE2-CD 3.28Å; E173-R176 IonicContact OE2-CZ 3.31Å; E173-R176 IonicContact OE2-NE 3.56Å; E173-R176 IonicContact OE2-NH1 2.77Å; E173-R176 PolarHBondContact OE2-NH1 3.36Å; E173-S177 PolarHBondContact O-N 2.66Å; E173-S177 PolarHBondContact O-OG 3.01Å
174	R	76.7	Confident	63.7	Low	164 Å²	164	82.8 Å²	82.8	62%	0.619	44%	0.435	S	S	*	.	H	α-helix	trans	-59.9	-36.7	169.9	-82.9	-179	-79.4	176.2	-8	112.1	S170 M171 L172 S177 S178	S170-R174 WeakPolarHBondContact O-CB 3.41Å; S170-R174 WeakPolarHBondContact O-CG 3.15Å; S170-R174 PolarHBondContact O-N 3.32Å; S170-R174 VanDerWaalsContact O-N 3.11Å; S170-R174 PolarHBondContact O-NE 3.01Å; S170-R174 VanDerWaalsContact O-NE 3.11Å; S170-R174 PolarHBondContact OG-NH2 2.99Å; M171-R174 PolarHBondContact O-N 3.47Å; L172-R174 PolarHBondContact O-N 3.5Å; R174-S177 WeakPolarHBondContact CA-OG 3.28Å; R174-S177 PolarHBondContact O-OG 2.88Å; R174-S177 VanDerWaalsContact O-OG 3.06Å; R174-S178 PolarHBondContact O-N 2.88Å; R174-S178 PolarHBondContact O-OG 3.25Å
175	R	73.2	Confident	61.5	Low	113 Å²	113	88 Å²	88	43%	0.426	47%	0.467	S	S	.	.	H	α-helix	trans	-72.5	-37.1	175.2	-71.3	176.7	-179.7	-173.6	5	112	M171 L172 E173 S178 G179	M171-R175 WeakPolarHBondContact O-CG 3.36Å; M171-R175 PolarHBondContact O-N 3.36Å; L172-R175 CarbonylContact O-C 3.6Å; L172-R175 WeakPolarHBondContact O-CA 3.43Å; L172-R175 WeakPolarHBondContact O-CB 3.36Å; L172-R175 PolarHBondContact O-N 3.33Å; E173-R175 VanDerWaalsContact C-N 3.26Å; E173-R175 PolarHBondContact O-N 2.89Å; R175-S178 PolarHBondContact O-N 3.38Å; R175-S178 PolarHBondContact O-OG 2.88Å; R175-G179 PolarHBondContact O-N 3.08Å
176	R	73.6	Confident	59.5	Low	36 Å²	36	93.4 Å²	93.4	14%	0.136	51%	0.506	C	S	.	.	H	α-helix	trans	-60.3	-50.6	175.4	-69.6	172.2	-174.5	-178.9	-7.2	111	L172 E173 S178 G179 E463 Y500	L172-R176 WeakPolarHBondContact O-CG 3.4Å; L172-R176 PolarHBondContact O-N 3.09Å; E173-R176 PolarHBondContact O-N 3.12Å; E173-R176 VanDerWaalsContact OE2-CD 3.3Å; E173-R176 WeakPolarHBondContact OE2-CD 3.28Å; E173-R176 IonicContact OE2-CZ 3.31Å; E173-R176 IonicContact OE2-NE 3.56Å; E173-R176 IonicContact OE2-NH1 2.77Å; E173-R176 PolarHBondContact OE2-NH1 3.36Å; R176-S178 PolarHBondContact O-N 3.33Å; R176-G179 PolarHBondContact O-N 3.26Å; R176-E463 IonicContact CZ-OE2 3.95Å; R176-E463 VanDerWaalsContact CZ-OE2 3.24Å; R176-E463 IonicContact NE-OE2 2.67Å; R176-E463 PolarHBondContact NE-OE2 2.84Å; R176-E463 IonicContact NH2-OE2 3.32Å; R176-E463 PolarHBondContact NH2-OE2 3.4Å; R176-Y500 HydrophobicContact CG-CD1 4.1Å; R176-Y500 HydrophobicContact CG-CE1 3.78Å
177	S	67.2	Low	57.5	Low	71 Å²	71	90.5 Å²	90.5	50%	0.497	51%	0.511	S	S	.	.	H	α-helix	trans	-64.3	-35.5	179.7	46.3	0	0	0	0	113.7	E173 R174 G179	E173-S177 PolarHBondContact O-N 2.66Å; E173-S177 PolarHBondContact O-OG 3.01Å; R174-S177 WeakPolarHBondContact CA-OG 3.28Å; R174-S177 PolarHBondContact O-OG 2.88Å; R174-S177 VanDerWaalsContact O-OG 3.06Å; S177-G179 VanDerWaalsContact C-N 3.26Å; S177-G179 PolarHBondContact O-N 3.45Å
178	S	62.8	Low	55.2	Low	81 Å²	81	92.8 Å²	92.8	57%	0.566	52%	0.521	S	S	*	.	H	α-helix	trans	-66.9	-22.4	175.6	72.5	0	0	0	0	114.4	R174 R175 R176	R174-S178 PolarHBondContact O-N 2.88Å; R174-S178 PolarHBondContact O-OG 3.25Å; R175-S178 PolarHBondContact O-N 3.38Å; R175-S178 PolarHBondContact O-OG 2.88Å; R176-S178 PolarHBondContact O-N 3.33Å
179	G	52.7	Low	53	Low	30 Å²	30	99.6 Å²	99.6	31%	0.309	56%	0.558	S	S	.	*	H	α-helix	trans	-84.9	-20.1	-177.8	0	0	0	0	0	115.3	R175 R176 S177	R175-G179 PolarHBondContact O-N 3.08Å; R176-G179 PolarHBondContact O-N 3.26Å; S177-G179 VanDerWaalsContact C-N 3.26Å; S177-G179 PolarHBondContact O-N 3.45Å
180	Q	46.7	Very low	51	Low	140 Å²	140	102.6 Å²	102.6	65%	0.654	58%	0.578	S	S	*	*	H	α-helix	trans	-93.6	-15.9	-176.1	-83.1	-179.2	-12.5	0	0	114.4	H182	Q180-H182 PolarHBondContact O-N 3.39Å
181	S	36.1	Very low	48.8	Very low	93 Å²	93	107 Å²	107	65%	0.65	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	7	-169.9	-159.7	0	0	0	0	116.6
182	H	37.8	Very low	46.7	Very low	165 Å²	165	109.3 Å²	109.3	76%	0.764	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.2	17.9	179.5	-77.8	-44.1	0	0	0	115.7	Q180	Q180-H182 PolarHBondContact O-N 3.39Å
183	N	31	Very low	44.5	Very low	146 Å²	146	115.3 Å²	115.3	78%	0.781	65%	0.654	S	S	*	*	S	Bend	trans	-96.2	28	177.8	-113.8	28.7	0	0	0	115
184	S	27.2	Very low	42.4	Very low	99 Å²	99	116.5 Å²	116.5	69%	0.692	67%	0.671	S	S	*	*	S	Bend	trans	-141.8	51.3	179.1	43	0	0	0	0	112.6
185	T	28	Very low	40.3	Very low	142 Å²	142	118.5 Å²	118.5	87%	0.871	68%	0.684	S	S	*	*			trans	-171.7	76.5	156.4	7.9	0	0	0	0	112.7
186	S	31.7	Very low	38.2	Very low	128 Å²	128	124.6 Å²	124.6	90%	0.895	71%	0.707	S	S	*	*			trans	-165.5	120.6	153.5	61	0	0	0	0	106.7
187	G	31.4	Very low	36.2	Very low	69 Å²	69	132 Å²	132	71%	0.711	74%	0.743	S	S	*	*			cis	171.9	117.5	4	0	0	0	0	0	101.9	D189	G187-D189 PolarHBondContact O-N 3.1Å; G187-D189 VanDerWaalsContact O-N 3.07Å
188	Q	28	Very low	34.6	Very low	187 Å²	187	132.6 Å²	132.6	87%	0.874	75%	0.753	S	S	*	*			trans	-66.8	101.6	170	-80.5	176.7	-44.7	0	0	107.5
189	D	30.2	Very low	33.1	Very low	168 Å²	168	134.8 Å²	134.8	90%	0.898	77%	0.768	S	S	*	*			trans	-106.2	100.5	159	-81.7	-27.7	0	0	0	108.7	G187	G187-D189 PolarHBondContact O-N 3.1Å; G187-D189 VanDerWaalsContact O-N 3.07Å
190	T	31.3	Very low	32.1	Very low	114 Å²	114	137.1 Å²	137.1	70%	0.699	79%	0.792	S	S	*	*			trans	-81.3	147.1	162.7	47.5	0	0	0	0	109.2
191	N	31.4	Very low	31.4	Very low	138 Å²	138	137.6 Å²	137.6	74%	0.738	81%	0.805	S	S	*	*			trans	94.1	104	147.7	-78	-6.4	0	0	0	122.1
192	T	32.9	Very low	31.3	Very low	126 Å²	126	137 Å²	137	77%	0.773	81%	0.814	S	S	*	*				87.7	119.3	116.7	50.7	0	0	0	0	121.7
193	T	28.1	Very low	31.1	Very low	134 Å²	134	135.7 Å²	135.7	82%	0.822	81%	0.812	S	S	*	*			trans	-57.2	128.8	157.6	-29.2	0	0	0	0	113.2
194	S	31.6	Very low	31	Very low	103 Å²	103	135.9 Å²	135.9	72%	0.72	81%	0.809	S	S	*	*				143.1	131.1	125.5	-69.5	0	0	0	0	116.7
195	K	33.9	Very low	31.3	Very low	206 Å²	206	138.4 Å²	138.4	90%	0.896	81%	0.814	S	S	*	*			trans	88.9	118.2	144.5	-80.2	-179.8	177.5	178.1	0	122.1
196	R	27.7	Very low	31.6	Very low	241 Å²	241	136 Å²	136	91%	0.909	81%	0.809	S	S	*	*			trans	-41.7	143	156.4	-68.6	168.7	153.2	-170.2	-6.8	115.3
197	Q	32.9	Very low	31.6	Very low	190 Å²	190	137.1 Å²	137.1	89%	0.888	81%	0.805	S	S	*	*				176	130.7	108.3	-103.1	179.6	-19.9	0	0	114.2
198	A	33	Very low	32.3	Very low	85 Å²	85	138.4 Å²	138.4	70%	0.702	80%	0.801	S	S	*	*			trans	59.5	120.7	133.7	0	0	0	0	0	124.7
199	S	31.1	Very low	32.6	Very low	126 Å²	126	137 Å²	137	88%	0.881	80%	0.799	S	S	*	*				74.3	124.9	129.5	66	0	0	0	0	122.1
200	G	32.3	Very low	32.8	Very low	79 Å²	79	133.7 Å²	133.7	81%	0.814	79%	0.785	S	S	*	*			trans	-179.1	101.9	159.9	0	0	0	0	0	111.5
201	T	32.5	Very low	32.8	Very low	151 Å²	151	134 Å²	134	93%	0.926	79%	0.787	S	S	*	*			trans	-72.7	150.3	-178.4	45.2	0	0	0	0	114.2
202	G	33.3	Very low	32.9	Very low	81 Å²	81	138.7 Å²	138.7	84%	0.835	79%	0.794	S	S	*	*			trans	-176.8	117.8	164.2	0	0	0	0	0	113
203	D	32.7	Very low	32.9	Very low	136 Å²	136	138.9 Å²	138.9	73%	0.727	80%	0.795	S	S	*	*			trans	-75.9	153	-163.3	-110.1	-29.9	0	0	0	117.4
204	Q	30.7	Very low	33.5	Very low	151 Å²	151	137.3 Å²	137.3	71%	0.706	79%	0.787	S	S	*	*			trans	41.3	128.1	136.3	-63.2	167.3	45.3	0	0	120.2
205	N	33.3	Very low	33.4	Very low	152 Å²	152	139 Å²	139	81%	0.813	79%	0.788	S	S	*	*				171.2	147.5	84.1	-142.3	-10.2	0	0	0	113.8
206	A	33.5	Very low	33.3	Very low	91 Å²	91	135.4 Å²	135.4	75%	0.752	78%	0.784	S	S	*	*			trans	70.3	112.3	147.9	0	0	0	0	0	123
207	N	32.4	Very low	33.3	Very low	152 Å²	152	129.4 Å²	129.4	81%	0.813	78%	0.779	S	S	*	*			trans	-105.8	-176.2	145.9	-152.6	16.3	0	0	0	106.6
208	P	44.8	Very low	33.5	Very low	96 Å²	96	126.1 Å²	126.1	62%	0.623	78%	0.777	S	S	*	*			cis	-129.3	172.4	-38.1	21.4	1.3	0	0	0	112.4
209	N	34.8	Very low	33.3	Very low	156 Å²	156	127.5 Å²	127.5	83%	0.834	78%	0.781	S	S	*	*			trans	176.2	145.3	151.4	-108.7	-14.6	0	0	0	109.4
210	T	34.4	Very low	33.4	Very low	100 Å²	100	127.8 Å²	127.8	61%	0.613	78%	0.777	S	S	*	*			cis	-168.7	146.8	-10.4	-22.7	0	0	0	0	107.5
211	T	31.7	Very low	33.4	Very low	119 Å²	119	128.7 Å²	128.7	73%	0.73	77%	0.771	S	S	*	*			trans	59.8	132.6	144.8	31.1	0	0	0	0	126.1
212	R	32.8	Very low	33.3	Very low	238 Å²	238	126.6 Å²	126.6	90%	0.898	76%	0.763	S	S	*	*			trans	105.3	115.4	132.6	-88.5	-179.2	177.5	-161.4	-1.5	119.3
213	T	33.2	Very low	33.2	Very low	129 Å²	129	128.3 Å²	128.3	79%	0.791	76%	0.762	S	S	*	*			trans	-77.8	-177.1	154.6	57.7	0	0	0	0	110.2
214	P	41	Very low	33	Very low	101 Å²	101	128.1 Å²	128.1	66%	0.656	77%	0.766	S	S	*	*			cis	-139.5	-176.9	-0.9	39.2	-18.3	0	0	0	116.6
215	D	28.6	Very low	33	Very low	139 Å²	139	128.5 Å²	128.5	74%	0.743	77%	0.771	S	S	*	*			trans	69.5	115.1	153.3	-59	-23.8	0	0	0	122.6
216	T	32.2	Very low	32.8	Very low	130 Å²	130	130.5 Å²	130.5	80%	0.798	77%	0.772	S	S	*	*				166.7	140.3	100.4	36	0	0	0	0	113.7
217	S	28.8	Very low	32.6	Very low	115 Å²	115	132.6 Å²	132.6	80%	0.804	78%	0.776	S	S	*	*			trans	55.7	114	150.6	64.8	0	0	0	0	121.5
218	S	36.2	Very low	32.5	Very low	121 Å²	121	136.7 Å²	136.7	85%	0.846	78%	0.78	S	S	*	*			trans	-154.7	111.7	135.6	62.3	0	0	0	0	111.2
219	S	28.3	Very low	31.6	Very low	115 Å²	115	139.8 Å²	139.8	80%	0.804	79%	0.79	S	S	*	*			trans	-80.8	128.3	167	50.2	0	0	0	0	111
220	V	34.8	Very low	31.2	Very low	131 Å²	131	136.2 Å²	136.2	79%	0.794	79%	0.79	S	S	*	*			trans	-150.9	117.2	158.2	-174.8	0	0	0	0	111
221	S	32.2	Very low	30.9	Very low	98 Å²	98	136.7 Å²	136.7	69%	0.685	80%	0.797	S	S	*	*			trans	57.9	113.7	143.1	-57.4	0	0	0	0	121.9
222	S	29.4	Very low	30.9	Very low	107 Å²	107	138 Å²	138	75%	0.748	81%	0.805	S	S	*	*				94.4	112	93.7	-61.1	0	0	0	0	111.5
223	S	32.1	Very low	30.5	Very low	118 Å²	118	130.3 Å²	130.3	83%	0.825	80%	0.8	S	S	*	*				-166.5	129.3	78	-65.6	0	0	0	0	111.4
224	V	28.3	Very low	30.4	Very low	132 Å²	132	130.2 Å²	130.2	80%	0.8	81%	0.805	S	S	*	*			trans	-106.7	120.9	169.2	170.7	0	0	0	0	107	K226	V224-K226 HydrophobicContact CG1-CB 4.42Å
225	I	30.6	Very low	29.6	Very low	158 Å²	158	133.4 Å²	133.4	81%	0.81	81%	0.813	S	S	*	*			trans	-82.9	114.7	164.9	-66.5	177.3	0	0	0	107.1
226	K	28.1	Very low	29.7	Very low	194 Å²	194	132.7 Å²	132.7	84%	0.843	82%	0.819	S	S	*	*			trans	-116.5	102.9	176.5	-156.3	177.8	-168.1	177.4	0	106	V224	V224-K226 HydrophobicContact CG1-CB 4.42Å
227	T	30.1	Very low	29.4	Very low	136 Å²	136	132.5 Å²	132.5	83%	0.834	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-94.9	141.1	171	-22.1	0	0	0	0	109.7
228	R	29.8	Very low	29.5	Very low	238 Å²	238	136.4 Å²	136.4	90%	0.898	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-100.5	139.7	-152	-174.3	179.1	-179.3	177.4	-0.2	110.6
229	I	25.5	Very low	29.1	Very low	161 Å²	161	136 Å²	136	83%	0.826	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-58.5	130.2	167	-63.8	165.6	0	0	0	110
230	G	28	Very low	29.2	Very low	81 Å²	81	141.7 Å²	141.7	84%	0.835	82%	0.824	S	S	*	*			trans	-131	119.6	160	0	0	0	0	0	108.1
231	S	26.4	Very low	29	Very low	110 Å²	110	144.4 Å²	144.4	77%	0.769	83%	0.825	S	S	*	*			trans	-122.1	123.7	-175.2	-169	0	0	0	0	109.3
232	T	31.6	Very low	28.6	Very low	145 Å²	145	145.8 Å²	145.8	89%	0.89	83%	0.834	S	S	*	*			trans	-167.2	124.4	152.7	52.2	0	0	0	0	103.9
233	G	26.1	Very low	28.7	Very low	77 Å²	77	144.9 Å²	144.9	79%	0.794	83%	0.833	S	S	*	*			cis	128.1	100.1	23.8	0	0	0	0	0	106.7
234	S	30	Very low	28.4	Very low	128 Å²	128	148 Å²	148	90%	0.895	84%	0.835	S	S	*	*			trans	-168.8	145.6	141.7	-153.8	0	0	0	0	111.5
235	M	24.6	Very low	28.5	Very low	168 Å²	168	149.6 Å²	149.6	83%	0.828	84%	0.838	S	S	*	*			trans	-83.9	142.1	-170.7	-61.9	167.9	55.8	0	0	111.9
236	S	31.2	Very low	28.5	Very low	124 Å²	124	148.9 Å²	148.9	87%	0.867	84%	0.836	S	S	*	*			trans	-152.5	122.2	136.3	49.9	0	0	0	0	109.7
237	T	26.3	Very low	28.4	Very low	126 Å²	126	146.3 Å²	146.3	77%	0.773	83%	0.831	S	S	*	*			trans	-83.5	124.5	173.6	45.5	0	0	0	0	109
238	E	30.3	Very low	28.3	Very low	197 Å²	197	145.1 Å²	145.1	92%	0.921	83%	0.829	S	S	*	*			trans	-148.5	118.8	147.4	-119	175	-168.7	0	0	110.6
239	S	26.9	Very low	28.3	Very low	111 Å²	111	139 Å²	139	78%	0.776	82%	0.822	S	S	*	*			trans	-81.5	134	171.9	-62.6	0	0	0	0	109.2
240	R	31.1	Very low	28.4	Very low	235 Å²	235	134.4 Å²	134.4	89%	0.887	82%	0.815	S	S	*	*			trans	-177.4	130.5	130.1	-101.4	158.6	-177.1	-170.3	2.6	113.7
241	K	30.6	Very low	28.4	Very low	189 Å²	189	137.5 Å²	137.5	82%	0.822	81%	0.812	S	S	*	*			trans	77.6	85.2	149.7	-66.5	-176.9	176.4	-176.1	0	118.1	A243	K241-A243 PolarHBondContact O-N 3.48Å
242	S	24.3	Very low	28.5	Very low	126 Å²	126	139.9 Å²	139.9	88%	0.881	82%	0.815	S	S	*	*			trans	-24.4	116.5	131.5	21.9	0	0	0	0	114.6
243	A	30.8	Very low	28.2	Very low	88 Å²	88	138.1 Å²	138.1	73%	0.727	80%	0.804	S	S	*	*			trans	-123	107.5	148.3	0	0	0	0	0	106.7	K241 L245	K241-A243 PolarHBondContact O-N 3.48Å; A243-L245 PolarHBondContact O-N 3.13Å
244	Q	25.5	Very low	28.3	Very low	185 Å²	185	140.2 Å²	140.2	86%	0.864	80%	0.802	S	S	*	*			trans	-63.3	110.1	161	-81.1	169.6	-62.4	0	0	107
245	L	30.6	Very low	28.2	Very low	165 Å²	165	143.6 Å²	143.6	86%	0.864	80%	0.8	S	S	*	*			trans	-103.6	118.6	156.5	-77.8	169.9	0	0	0	106.7	A243 D247	A243-L245 PolarHBondContact O-N 3.13Å; L245-D247 PolarHBondContact O-N 2.95Å
246	N	30.8	Very low	28.2	Very low	143 Å²	143	143.2 Å²	143.2	77%	0.765	80%	0.801	S	S	*	*			trans	-60.9	124.5	178.2	-80.8	-24	0	0	0	109.8	S248	N246-S248 PolarHBondContact O-N 3.15Å
247	D	25.9	Very low	28.1	Very low	139 Å²	139	143.2 Å²	143.2	74%	0.743	80%	0.798	S	S	*	*			trans	-17.7	116.2	141.5	-142.9	-11.7	0	0	0	113.3	L245 S249	L245-D247 PolarHBondContact O-N 2.95Å; D247-S249 PolarHBondContact OD1-OG 3.17Å
248	S	28.5	Very low	28.1	Very low	112 Å²	112	142.4 Å²	142.4	78%	0.783	80%	0.797	S	S	*	*			trans	-148.2	59.7	164.4	-66.4	0	0	0	0	108.1	N246 G250	N246-S248 PolarHBondContact O-N 3.15Å; S248-G250 PolarHBondContact O-N 2.82Å
249	S	28.5	Very low	27.9	Very low	108 Å²	108	138.7 Å²	138.7	76%	0.755	79%	0.793	S	S	*	*			trans	-63.9	77.8	157	-47.8	0	0	0	0	108.9	D247 L251	D247-S249 PolarHBondContact OD1-OG 3.17Å; S249-L251 PolarHBondContact O-N 3.41Å
250	G	28.5	Very low	27.9	Very low	66 Å²	66	138.6 Å²	138.6	68%	0.68	79%	0.793	S	S	*	*			trans	-76.6	75.2	172.2	0	0	0	0	0	110.1	S248 L252	S248-G250 PolarHBondContact O-N 2.82Å; G250-L252 VanDerWaalsContact C-N 3.31Å; G250-L252 PolarHBondContact O-N 2.77Å
251	L	29.1	Very low	27.7	Very low	146 Å²	146	137.2 Å²	137.2	76%	0.764	79%	0.793	S	S	*	*			trans	-57.6	100.5	157.5	-175.7	73.1	0	0	0	106.7	S249 T253	S249-L251 PolarHBondContact O-N 3.41Å; L251-T253 HydrophobicContact CD2-CG2 3.8Å; L251-T253 HydrophobicContact CG-CG2 3.97Å; L251-T253 PolarHBondContact O-N 3.34Å
252	L	27.3	Very low	27.5	Very low	160 Å²	160	135.9 Å²	135.9	84%	0.838	79%	0.794	S	S	*	*			trans	-65.9	79	170.9	-94.2	155.2	0	0	0	108.5	G250 T254	G250-L252 VanDerWaalsContact C-N 3.31Å; G250-L252 PolarHBondContact O-N 2.77Å; L252-T254 VanDerWaalsContact C-N 3.3Å; L252-T254 PolarHBondContact O-N 3.24Å; L252-T254 VanDerWaalsContact O-N 3.1Å
253	T	25.5	Very low	27.7	Very low	107 Å²	107	136 Å²	136	66%	0.656	79%	0.79	S	S	*	*			trans	-71.5	93.6	158	56.9	0	0	0	0	106.6	L251 K255	L251-T253 HydrophobicContact CD2-CG2 3.8Å; L251-T253 HydrophobicContact CG-CG2 3.97Å; L251-T253 PolarHBondContact O-N 3.34Å; T253-K255 PolarHBondContact O-N 2.66Å; T253-K255 VanDerWaalsContact O-N 3.15Å
254	T	28.9	Very low	27.4	Very low	121 Å²	121	137.4 Å²	137.4	74%	0.742	79%	0.794	S	S	*	*			trans	-61.2	117.9	167.1	42.9	0	0	0	0	107.8	L252 L256	L252-T254 VanDerWaalsContact C-N 3.3Å; L252-T254 PolarHBondContact O-N 3.24Å; L252-T254 VanDerWaalsContact O-N 3.1Å; T254-L256 PolarHBondContact O-N 3.44Å
255	K	28.2	Very low	27.6	Very low	200 Å²	200	137.2 Å²	137.2	87%	0.87	79%	0.793	S	S	*	*			trans	-58.1	109.8	174.4	-75.6	176.1	174.9	174.4	0	109.2	T253	T253-K255 PolarHBondContact O-N 2.66Å; T253-K255 VanDerWaalsContact O-N 3.15Å
256	L	23.8	Very low	27.5	Very low	159 Å²	159	137.1 Å²	137.1	83%	0.832	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-55.7	124.4	157.8	-78.4	153.6	0	0	0	108.8	T254 S258	T254-L256 PolarHBondContact O-N 3.44Å; L256-S258 PolarHBondContact O-N 2.71Å
257	P	29.1	Very low	27.5	Very low	124 Å²	124	135.7 Å²	135.7	81%	0.805	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-69.3	131.4	170.7	26.2	-29.3	0	0	0	109.8
258	S	26.7	Very low	27.7	Very low	110 Å²	110	136.6 Å²	136.6	77%	0.769	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-67.5	128.4	-179.5	-43.7	0	0	0	0	112	L256	L256-S258 PolarHBondContact O-N 2.71Å
259	S	25.5	Very low	27.8	Very low	118 Å²	118	137.3 Å²	137.3	83%	0.825	79%	0.79	S	S	*	*			trans	53.7	90.6	138	-51.2	0	0	0	0	118.4
260	S	27.4	Very low	28.2	Very low	110 Å²	110	136.4 Å²	136.4	77%	0.769	80%	0.797	S	S	*	*			trans	-93.6	116.1	139.7	49.6	0	0	0	0	108.9	L262	S260-L262 PolarHBondContact O-N 2.78Å; S260-L262 VanDerWaalsContact O-N 3.14Å
261	K	25.4	Very low	28.5	Very low	205 Å²	205	139.7 Å²	139.7	89%	0.891	80%	0.799	S	S	*	*			trans	-60.7	109.4	167.7	-83.9	173.8	171.5	175.3	0	108.3
262	L	27.2	Very low	29.6	Very low	162 Å²	162	135.4 Å²	135.4	85%	0.848	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-91.7	118.3	154.3	-111.5	87.7	0	0	0	108.7	S260	S260-L262 PolarHBondContact O-N 2.78Å; S260-L262 VanDerWaalsContact O-N 3.14Å
263	T	28.6	Very low	31.3	Very low	129 Å²	129	132.8 Å²	132.8	79%	0.791	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-58.3	131.2	173.9	34.1	0	0	0	0	111.7	Q265	T263-Q265 PolarHBondContact O-N 3.07Å
264	S	24.9	Very low	34.1	Very low	116 Å²	116	135.8 Å²	135.8	81%	0.811	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-59.1	117.2	166.5	-50	0	0	0	0	110.8
265	Q	30	Very low	37.1	Very low	181 Å²	181	131.6 Å²	131.6	85%	0.846	76%	0.76	S	S	*	*			trans	-127.9	111.2	148	-79.6	-170.7	-17.5	0	0	107.6	T263 V267	T263-Q265 PolarHBondContact O-N 3.07Å; Q265-V267 PolarHBondContact O-N 3.36Å
266	N	27.1	Very low	40.2	Very low	164 Å²	164	122.9 Å²	122.9	88%	0.877	72%	0.723	S	S	*	*			trans	-64.6	116.2	166.1	-72.6	-30.8	0	0	0	108.1
267	V	31.5	Very low	43.6	Very low	113 Å²	113	119.1 Å²	119.1	69%	0.685	70%	0.703	S	S	*	*			trans	-129.1	112	150.7	-174.1	0	0	0	0	106.3	Q265 D269	Q265-V267 PolarHBondContact O-N 3.36Å; V267-D269 VanDerWaalsContact C-N 3.33Å; V267-D269 PolarHBondContact O-N 3.14Å; V267-D269 VanDerWaalsContact O-N 3.14Å
268	D	30.2	Very low	46.8	Very low	158 Å²	158	113.2 Å²	113.2	85%	0.845	67%	0.665	S	S	*	*			trans	-71.7	87.4	169.6	-178.1	30.3	0	0	0	107.6
269	D	30.9	Very low	50.2	Low	127 Å²	127	108.1 Å²	108.1	68%	0.679	63%	0.63	S	S	*	*			trans	-112.9	126.9	160.1	-82.4	-37.3	0	0	0	106.2	V267 N271	V267-D269 VanDerWaalsContact C-N 3.33Å; V267-D269 PolarHBondContact O-N 3.14Å; V267-D269 VanDerWaalsContact O-N 3.14Å; D269-N271 PolarHBondContact O-N 3.45Å
270	G	35.9	Very low	53.6	Low	89 Å²	89	103.1 Å²	103.1	92%	0.918	60%	0.595	S	S	*	*	S	Bend	trans	-67	42.3	-175.6	0	0	0	0	0	115.4
271	N	35.2	Very low	56.8	Low	135 Å²	135	104.5 Å²	104.5	72%	0.722	59%	0.589	S	S	*	*			trans	-122.6	101.4	177.7	-138.1	39.2	0	0	0	107.3	D269	D269-N271 PolarHBondContact O-N 3.45Å
272	G	51.6	Low	60.2	Low	55 Å²	55	95.5 Å²	95.5	57%	0.567	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-53.2	161	167.9	0	0	0	0	0	110.8	F274	G272-F274 PolarHBondContact O-N 3.34Å
273	P	63.5	Low	63.4	Low	105 Å²	105	92.4 Å²	92.4	68%	0.682	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-52	121.2	-178.8	20.9	-30.9	0	0	0	109.5	L275 H337	P273-L275 PolarHBondContact O-N 2.89Å; P273-H337 PolarHBondContact O-NE2 3.05Å
274	F	83.7	Confident	66.7	Low	170 Å²	170	88.9 Å²	88.9	75%	0.746	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-55.4	125.2	-177.6	-177.7	-95.7	0	0	0	109.2	G272	G272-F274 PolarHBondContact O-N 3.34Å
275	L	91.8	Very high	70.2	Confident	33 Å²	33	85.5 Å²	85.5	17%	0.173	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-82.8	126.7	176.8	-158.2	93	0	0	0	108.3	P273 Y320 P336 H337 V340	P273-L275 PolarHBondContact O-N 2.89Å; L275-Y320 HydrophobicContact CD2-CE1 4.33Å; L275-Y320 HydrophobicContact CD2-CE2 3.76Å; L275-Y320 VanDerWaalsContact CD2-CZ 3.46Å; L275-Y320 WeakPolarHBondContact CD2-OH 3.46Å; L275-P336 HydrophobicContact CD2-CB 3.74Å; L275-H337 HydrophobicContact CD1-CB 4.29Å; L275-V340 HydrophobicContact CD1-CG2 4.37Å; L275-V340 HydrophobicContact CD2-CG2 4.3Å
276	P	94.8	Very high	73.4	Confident	17 Å²	17	83.9 Å²	83.9	11%	0.11	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-56.6	156	176	-25.4	34.8	0	0	0	112.3	H278 G279 V280 E281	P276-H278 PolarHBondContact O-N 2.87Å; P276-H278 VanDerWaalsContact O-N 3.17Å; P276-G279 WeakPolarHBondContact O-CA 3.28Å; P276-G279 PolarHBondContact O-N 3.02Å; P276-V280 VanDerWaalsContact CB-C 3.45Å; P276-V280 VanDerWaalsContact CB-O 3.31Å; P276-V280 WeakPolarHBondContact CB-O 3.41Å; P276-E281 HydrophobicContact CG-CG 3.78Å
277	I	95.1	Very high	76.7	Confident	80 Å²	80	79.6 Å²	79.6	41%	0.41	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-33.4	-173.8	-172	165.5	0	0	0	113.3	D285	I277-D285 HydrophobicContact CG2-CB 4Å
278	H	96.7	Very high	79.9	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	18.8	176.5	-55.1	-50.4	0	0	0	113.2	P276 V280 D285 L288 E289 F292 T317 Y320	P276-H278 PolarHBondContact O-N 2.87Å; P276-H278 VanDerWaalsContact O-N 3.17Å; H278-V280 PolarHBondContact O-N 3.24Å; H278-V280 VanDerWaalsContact O-N 3.08Å; H278-D285 IonicContact CD2-OD1 2.76Å; H278-D285 PolarHBondContact CD2-OD1 3.4Å; H278-D285 PolarHBondContact NE2-O 3.23Å; H278-L288 VanDerWaalsContact NE2-CB 3.32Å; H278-L288 WeakPolarHBondContact NE2-CB 3.44Å; H278-E289 IonicContact CE1-OE2 2.64Å; H278-E289 PolarHBondContact CE1-OE2 3.34Å; H278-E289 IonicContact ND1-OE2 3.89Å; H278-E289 PolarHBondContact NE2-N 3.06Å; H278-F292 AromaticContact CE1-CD2 3.74Å; H278-F292 AromaticContact ND1-CD2 3.68Å; H278-F292 AromaticContact ND1-CE2 3.75Å; H278-T317 HydrophobicContact CB-CG2 3.89Å; H278-Y320 VanDerWaalsContact C-CD1 3.41Å
279	G	96.7	Very high	83.1	Confident	4 Å²	4	69.6 Å²	69.6	4%	0.041	40%	0.403	C	S	.	.	S	Bend	trans	80.7	-34	-176.5	0	0	0	0	0	113.5	P276 V340	P276-G279 WeakPolarHBondContact O-CA 3.28Å; P276-G279 PolarHBondContact O-N 3.02Å; G279-V340 WeakPolarHBondContact O-CG1 3.42Å
280	V	96.8	Very high	86.3	Confident	13 Å²	13	69 Å²	69	8%	0.079	40%	0.395	C	S	.	.	S	Bend	trans	-120.6	153.9	174.6	-65.5	0	0	0	0	111.1	P276 H278 T282 H313 T316 T317 V340 L344	P276-V280 VanDerWaalsContact CB-C 3.45Å; P276-V280 VanDerWaalsContact CB-O 3.31Å; P276-V280 WeakPolarHBondContact CB-O 3.41Å; H278-V280 PolarHBondContact O-N 3.24Å; H278-V280 VanDerWaalsContact O-N 3.08Å; V280-T282 HydrophobicContact CG2-CG2 4.2Å; V280-H313 HydrophobicContact CG2-CB 3.96Å; V280-T316 HydrophobicContact CG1-CG2 3.69Å; V280-T317 HydrophobicContact CG2-CG2 3.55Å; V280-V340 HydrophobicContact CG1-CG1 3.96Å; V280-L344 HydrophobicContact CG1-CD1 4.12Å; V280-L344 HydrophobicContact CG1-CD2 3.95Å; V280-L344 HydrophobicContact CG1-CG 4.21Å
281	E	95.9	Very high	89.2	Confident	139 Å²	139	68 Å²	68	65%	0.65	36%	0.364	S	S	*	.			trans	-67.8	129.2	173.4	-68.1	-71.5	174.2	0	0	109.5	P276	P276-E281 HydrophobicContact CG-CG 3.78Å
282	T	96.4	Very high	92.2	Very high	16 Å²	16	62.1 Å²	62.1	10%	0.098	33%	0.332	C	S	.	.			trans	-129.4	151.5	175.3	91	0	0	0	0	111.1	V280 N284 D285 L288 T317	V280-T282 HydrophobicContact CG2-CG2 4.2Å; T282-N284 PolarHBondContact O-N 2.82Å; T282-N284 PolarHBondContact OG1-N 3.49Å; T282-D285 WeakPolarHBondContact CB-OD1 3.34Å; T282-D285 PolarHBondContact OG1-N 3.2Å; T282-D285 PolarHBondContact OG1-OD1 3.06Å; T282-L288 HydrophobicContact CG2-CD1 3.7Å; T282-L288 WeakPolarHBondContact OG1-CD1 3.36Å; T282-T317 HydrophobicContact CG2-CG2 4.48Å
283	P	94.9	Very high	94.3	Very high	96 Å²	96	63.8 Å²	63.8	62%	0.623	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-9.5	174.7	22.7	-24.5	0	0	0	113.6
284	N	97.6	Very high	95.9	Very high	56 Å²	56	64.1 Å²	64.1	30%	0.299	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.7	37.9	-169.1	-51.5	-78.1	0	0	0	113.5	T282 N286 E287 L288 L309	T282-N284 PolarHBondContact O-N 2.82Å; T282-N284 PolarHBondContact OG1-N 3.49Å; N284-N286 VanDerWaalsContact C-N 3.27Å; N284-N286 PolarHBondContact O-N 3.47Å; N284-N286 VanDerWaalsContact O-N 3.14Å; N284-E287 HydrophobicContact CB-CB 4.47Å; N284-E287 PolarHBondContact O-N 3.29Å; N284-E287 VanDerWaalsContact O-N 3.1Å; N284-L288 PolarHBondContact O-N 3.01Å; N284-L309 HydrophobicContact CB-CB 4.28Å; N284-L309 HydrophobicContact CB-CD2 3.66Å; N284-L309 PolarHBondContact ND2-O 3.24Å
285	D	97.1	Very high	96.5	Very high	44 Å²	44	58.2 Å²	58.2	24%	0.235	31%	0.31	C	S	.	.	H	α-helix	trans	-50.1	-42.4	-175.1	-73.9	-12.4	0	0	0	113.6	I277 H278 T282 E287 L288 E289	I277-D285 HydrophobicContact CG2-CB 4Å; H278-D285 IonicContact CD2-OD1 2.76Å; H278-D285 PolarHBondContact CD2-OD1 3.4Å; H278-D285 PolarHBondContact NE2-O 3.23Å; T282-D285 WeakPolarHBondContact CB-OD1 3.34Å; T282-D285 PolarHBondContact OG1-N 3.2Å; T282-D285 PolarHBondContact OG1-OD1 3.06Å; D285-E287 PolarHBondContact O-N 2.57Å; D285-L288 PolarHBondContact O-N 3.11Å; D285-E289 VanDerWaalsContact O-CB 3.31Å; D285-E289 WeakPolarHBondContact O-CB 3.49Å; D285-E289 PolarHBondContact O-N 2.73Å
286	N	97.3	Very high	96.8	Very high	147 Å²	147	57 Å²	57	79%	0.786	30%	0.304	S	S	*	.	H	α-helix	trans	-64.3	-41.7	-178.3	-62	-40.7	0	0	0	113.1	N284 E289 E290	N284-N286 VanDerWaalsContact C-N 3.27Å; N284-N286 PolarHBondContact O-N 3.47Å; N284-N286 VanDerWaalsContact O-N 3.14Å; N286-E289 PolarHBondContact O-N 3.37Å; N286-E290 PolarHBondContact O-N 3.02Å; N286-E290 VanDerWaalsContact O-N 3.08Å
287	E	97.8	Very high	96.9	Very high	75 Å²	75	58.3 Å²	58.3	35%	0.35	31%	0.31	S	S	.	.	H	α-helix	trans	-72.3	-37.3	179.3	176.5	73.1	-161.3	0	0	110.7	N284 D285 E290 R291 L309	N284-E287 HydrophobicContact CB-CB 4.47Å; N284-E287 PolarHBondContact O-N 3.29Å; N284-E287 VanDerWaalsContact O-N 3.1Å; D285-E287 PolarHBondContact O-N 2.57Å; E287-E290 PolarHBondContact O-N 2.91Å; E287-R291 WeakPolarHBondContact O-CG 3.14Å; E287-R291 PolarHBondContact O-N 3.49Å; E287-R291 VanDerWaalsContact O-N 3.07Å; E287-R291 IonicContact OE1-CZ 3.96Å; E287-R291 VanDerWaalsContact OE1-CZ 3.3Å; E287-R291 IonicContact OE1-NE 3.75Å; E287-R291 PolarHBondContact OE1-NE 3.19Å; E287-R291 IonicContact OE1-NH2 2.7Å; E287-R291 PolarHBondContact OE1-NH2 3.5Å; E287-L309 HydrophobicContact CB-CD2 4.4Å; E287-L309 HydrophobicContact CG-CD1 3.61Å; E287-L309 HydrophobicContact CG-CD2 3.88Å; E287-L309 HydrophobicContact CG-CG 4.43Å
288	L	97.9	Very high	97	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-63.9	-42.9	172.6	-79.9	174.4	0	0	0	111.5	H278 T282 N284 D285 E290 R291 F292 I306 L309	H278-L288 VanDerWaalsContact NE2-CB 3.32Å; H278-L288 WeakPolarHBondContact NE2-CB 3.44Å; T282-L288 HydrophobicContact CG2-CD1 3.7Å; T282-L288 WeakPolarHBondContact OG1-CD1 3.36Å; N284-L288 PolarHBondContact O-N 3.01Å; D285-L288 PolarHBondContact O-N 3.11Å; L288-E290 PolarHBondContact O-N 2.93Å; L288-R291 PolarHBondContact O-N 2.62Å; L288-F292 HydrophobicContact CB-CD2 4.25Å; L288-F292 HydrophobicContact CB-CE2 4.03Å; L288-F292 HydrophobicContact CD2-CE2 4.12Å; L288-F292 HydrophobicContact CD2-CZ 4.25Å; L288-F292 WeakPolarHBondContact O-CB 3.39Å; L288-F292 WeakPolarHBondContact O-CD2 3.49Å; L288-F292 WeakPolarHBondContact O-CG 3.49Å; L288-F292 PolarHBondContact O-N 2.73Å; L288-I306 HydrophobicContact CD2-CB 4.48Å; L288-I306 HydrophobicContact CD2-CG2 4.12Å; L288-L309 HydrophobicContact CD1-CB 4.33Å; L288-L309 HydrophobicContact CD2-CB 3.62Å; L288-L309 HydrophobicContact CD2-CD1 4.21Å; L288-L309 HydrophobicContact CG-CB 3.8Å
289	E	97.8	Very high	97.1	Very high	61 Å²	61	60.9 Å²	60.9	29%	0.285	32%	0.319	S	S	.	.	H	α-helix	trans	-60.4	-44.6	176.8	-173.9	61.5	-160.3	0	0	111.7	H278 D285 N286 R291 F292 S293 R321	H278-E289 IonicContact CE1-OE2 2.64Å; H278-E289 PolarHBondContact CE1-OE2 3.34Å; H278-E289 IonicContact ND1-OE2 3.89Å; H278-E289 PolarHBondContact NE2-N 3.06Å; D285-E289 VanDerWaalsContact O-CB 3.31Å; D285-E289 WeakPolarHBondContact O-CB 3.49Å; D285-E289 PolarHBondContact O-N 2.73Å; N286-E289 PolarHBondContact O-N 3.37Å; E289-R291 PolarHBondContact O-N 3.3Å; E289-F292 PolarHBondContact O-N 2.92Å; E289-S293 VanDerWaalsContact O-CB 3.3Å; E289-S293 WeakPolarHBondContact O-CB 3.47Å; E289-S293 PolarHBondContact O-N 2.52Å; E289-R321 IonicContact OE1-CZ 3.39Å; E289-R321 IonicContact OE1-NH2 2.91Å; E289-R321 PolarHBondContact OE1-NH2 2.76Å; E289-R321 IonicContact OE2-CZ 3.88Å; E289-R321 VanDerWaalsContact OE2-CZ 3.31Å; E289-R321 IonicContact OE2-NE 2.68Å; E289-R321 IonicContact OE2-NH2 3.16Å; E289-R321 PolarHBondContact OE2-NH2 3.05Å
290	E	97.5	Very high	97.1	Very high	113 Å²	113	61.5 Å²	61.5	53%	0.528	33%	0.326	S	S	.	.	H	α-helix	trans	-59.8	-47	175.7	-177.5	169.2	-176.7	0	0	111.4	N286 E287 L288 S293 L294	N286-E290 PolarHBondContact O-N 3.02Å; N286-E290 VanDerWaalsContact O-N 3.08Å; E287-E290 PolarHBondContact O-N 2.91Å; L288-E290 PolarHBondContact O-N 2.93Å; E290-S293 PolarHBondContact O-N 3.2Å; E290-L294 HydrophobicContact CG-CD1 3.81Å; E290-L294 WeakPolarHBondContact O-CB 3.37Å; E290-L294 WeakPolarHBondContact O-CG 3.48Å; E290-L294 PolarHBondContact O-N 3.43Å
291	R	97.8	Very high	97.2	Very high	69 Å²	69	61.3 Å²	61.3	26%	0.26	32%	0.324	S	S	.	.	H	α-helix	trans	-64.8	-43.7	178.1	-72.5	174	-177.2	-92.7	-7.1	112.9	E287 L288 E289 S293 L294 C295	E287-R291 WeakPolarHBondContact O-CG 3.14Å; E287-R291 PolarHBondContact O-N 3.49Å; E287-R291 VanDerWaalsContact O-N 3.07Å; E287-R291 IonicContact OE1-CZ 3.96Å; E287-R291 VanDerWaalsContact OE1-CZ 3.3Å; E287-R291 IonicContact OE1-NE 3.75Å; E287-R291 PolarHBondContact OE1-NE 3.19Å; E287-R291 IonicContact OE1-NH2 2.7Å; E287-R291 PolarHBondContact OE1-NH2 3.5Å; L288-R291 PolarHBondContact O-N 2.62Å; E289-R291 PolarHBondContact O-N 3.3Å; R291-S293 VanDerWaalsContact C-N 3.33Å; R291-L294 PolarHBondContact O-N 2.96Å; R291-C295 WeakPolarHBondContact O-CA 3.48Å; R291-C295 WeakPolarHBondContact O-CB 3.23Å; R291-C295 PolarHBondContact O-N 3.44Å
292	F	97.8	Very high	97.3	Very high	11 Å²	11	56 Å²	56	5%	0.048	30%	0.3	C	S	.	.	H	α-helix	trans	-66.6	-37.5	177.4	-69.6	-45.1	0	0	0	111.6	H278 L288 E289 L294 L296 I306 V318 R321	H278-F292 AromaticContact CE1-CD2 3.74Å; H278-F292 AromaticContact ND1-CD2 3.68Å; H278-F292 AromaticContact ND1-CE2 3.75Å; L288-F292 HydrophobicContact CB-CD2 4.25Å; L288-F292 HydrophobicContact CB-CE2 4.03Å; L288-F292 HydrophobicContact CD2-CE2 4.12Å; L288-F292 HydrophobicContact CD2-CZ 4.25Å; L288-F292 WeakPolarHBondContact O-CB 3.39Å; L288-F292 WeakPolarHBondContact O-CD2 3.49Å; L288-F292 WeakPolarHBondContact O-CG 3.49Å; L288-F292 PolarHBondContact O-N 2.73Å; E289-F292 PolarHBondContact O-N 2.92Å; F292-L294 VanDerWaalsContact C-N 3.32Å; F292-L294 PolarHBondContact O-N 3.22Å; F292-L296 HydrophobicContact CD1-CD1 3.56Å; F292-L296 HydrophobicContact CE1-CD1 4.12Å; F292-L296 HydrophobicContact CG-CD1 4.46Å; F292-L296 VanDerWaalsContact O-CB 3.22Å; F292-L296 WeakPolarHBondContact O-CB 3.27Å; F292-L296 PolarHBondContact O-N 3.23Å; F292-I306 HydrophobicContact CD1-CD1 4.44Å; F292-I306 HydrophobicContact CE1-CD1 3.92Å; F292-I306 HydrophobicContact CE1-CG1 4.46Å; F292-I306 HydrophobicContact CE1-CG2 4.05Å; F292-I306 HydrophobicContact CZ-CG2 3.89Å; F292-V318 HydrophobicContact CE1-CG2 3.93Å; F292-V318 HydrophobicContact CZ-CG2 4.44Å; F292-R321 HydrophobicContact CD1-CG 4.46Å; F292-R321 HydrophobicContact CD2-CG 3.74Å; F292-R321 HydrophobicContact CE2-CG 3.89Å; F292-R321 HydrophobicContact CG-CB 4.41Å; F292-R321 HydrophobicContact CG-CG 4.04Å; F292-R321 HydrophobicContact CZ-CG 4.32Å
293	S	96.3	Very high	97.4	Very high	90 Å²	90	55.2 Å²	55.2	63%	0.629	30%	0.296	S	S	*	.	H	α-helix	trans	-67.6	-32.1	177.4	-173.6	0	0	0	0	113	E289 E290 R291	E289-S293 VanDerWaalsContact O-CB 3.3Å; E289-S293 WeakPolarHBondContact O-CB 3.47Å; E289-S293 PolarHBondContact O-N 2.52Å; E290-S293 PolarHBondContact O-N 3.2Å; R291-S293 VanDerWaalsContact C-N 3.33Å
294	L	95.8	Very high	97.6	Very high	112 Å²	112	51.5 Å²	51.5	59%	0.586	27%	0.27	S	S	*	.	H	α-helix	trans	-97.7	-29.3	-174.5	-70	171	0	0	0	114.1	E290 R291 F292	E290-L294 HydrophobicContact CG-CD1 3.81Å; E290-L294 WeakPolarHBondContact O-CB 3.37Å; E290-L294 WeakPolarHBondContact O-CG 3.48Å; E290-L294 PolarHBondContact O-N 3.43Å; R291-L294 PolarHBondContact O-N 2.96Å; F292-L294 VanDerWaalsContact C-N 3.32Å; F292-L294 PolarHBondContact O-N 3.22Å
295	C	96.4	Very high	97.6	Very high	47 Å²	47	50.8 Å²	50.8	32%	0.318	27%	0.265	S	S	.	.	H	α-helix	trans	-120.3	-14.8	-164.7	-51.7	0	0	0	0	114.3	R291 D297 E298 V301	R291-C295 WeakPolarHBondContact O-CA 3.48Å; R291-C295 WeakPolarHBondContact O-CB 3.23Å; R291-C295 PolarHBondContact O-N 3.44Å; C295-D297 PolarHBondContact O-N 3.35Å; C295-D297 VanDerWaalsContact O-N 3.1Å; C295-E298 WeakPolarHBondContact O-CB 3.36Å; C295-E298 PolarHBondContact O-N 3.46Å; C295-V301 HydrophobicContact CB-CG2 4.18Å; C295-V301 WeakPolarHBondContact O-CG2 3.34Å
296	L	97.4	Very high	97.7	Very high	7 Å²	7	48.9 Å²	48.9	4%	0.037	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-28.1	-172	-159.9	86.1	0	0	0	113.3	F292 R321 I322 K325 Q367 H370	F292-L296 HydrophobicContact CD1-CD1 3.56Å; F292-L296 HydrophobicContact CE1-CD1 4.12Å; F292-L296 HydrophobicContact CG-CD1 4.46Å; F292-L296 VanDerWaalsContact O-CB 3.22Å; F292-L296 WeakPolarHBondContact O-CB 3.27Å; F292-L296 PolarHBondContact O-N 3.23Å; L296-R321 HydrophobicContact CD1-CB 4.39Å; L296-R321 HydrophobicContact CD2-CB 4.29Å; L296-I322 HydrophobicContact CD1-CG1 4.16Å; L296-I322 HydrophobicContact CD2-CG1 3.82Å; L296-I322 HydrophobicContact CG-CG1 4.06Å; L296-K325 HydrophobicContact CD2-CB 4.46Å; L296-K325 HydrophobicContact CD2-CD 4.04Å; L296-Q367 PolarHBondContact O-NE2 3.45Å; L296-H370 PolarHBondContact O-CD2 2.88Å
297	D	98.1	Very high	97.8	Very high	45 Å²	45	43 Å²	43	24%	0.241	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	6.2	177.2	-55.9	-40.8	0	0	0	113.8	C295 K325 H370 F371 Q374	C295-D297 PolarHBondContact O-N 3.35Å; C295-D297 VanDerWaalsContact O-N 3.1Å; D297-K325 VanDerWaalsContact CG-CE 3.46Å; D297-K325 WeakPolarHBondContact OD1-CD 3.32Å; D297-K325 WeakPolarHBondContact OD1-CE 3.35Å; D297-K325 IonicContact OD1-NZ 3.62Å; D297-K325 PolarHBondContact OD1-NZ 2.98Å; D297-K325 VanDerWaalsContact OD2-CE 3.24Å; D297-K325 WeakPolarHBondContact OD2-CE 3.36Å; D297-K325 IonicContact OD2-NZ 3.04Å; D297-K325 PolarHBondContact OD2-NZ 3.33Å; D297-H370 IonicContact OD1-NE2 3.8Å; D297-H370 PolarHBondContact OD1-NE2 3.38Å; D297-F371 WeakPolarHBondContact O-CD2 3.41Å; D297-F371 VanDerWaalsContact O-CE2 3.3Å; D297-F371 WeakPolarHBondContact O-CE2 3.31Å; D297-Q374 PolarHBondContact OD1-NE2 3.19Å
298	E	97.9	Very high	97.8	Very high	113 Å²	113	46.1 Å²	46.1	53%	0.528	23%	0.232	S	C	.	.	S	Bend	trans	-102	152.6	-175	-64.8	-65.4	142.8	0	0	111	C295 Q367	C295-E298 WeakPolarHBondContact O-CB 3.36Å; C295-E298 PolarHBondContact O-N 3.46Å; E298-Q367 PolarHBondContact O-NE2 3.24Å
299	W	98.3	Very high	97.8	Very high	21 Å²	21	46.3 Å²	46.3	8%	0.08	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	131.1	170	-177.8	-102.9	0	0	0	110.5	T368 F371 L372 A520 K521 W578 I592	W299-T368 HydrophobicContact CE3-CG2 4.26Å; W299-T368 HydrophobicContact CH2-CG2 3.79Å; W299-T368 HydrophobicContact CZ3-CG2 3.36Å; W299-F371 HydrophobicContact CB-CD2 4.46Å; W299-F371 HydrophobicContact CB-CE1 4.16Å; W299-F371 HydrophobicContact CB-CE2 4.04Å; W299-F371 HydrophobicContact CB-CZ 3.87Å; W299-F371 AromaticContact CE3-CD1 3.63Å; W299-F371 HydrophobicContact CE3-CD1 3.63Å; W299-F371 AromaticContact CE3-CE1 3.88Å; W299-F371 HydrophobicContact CE3-CE1 3.88Å; W299-F371 HydrophobicContact CE3-CG 4.28Å; W299-F371 HydrophobicContact CZ3-CD1 4.26Å; W299-L372 HydrophobicContact CZ3-CD2 4.43Å; W299-A520 HydrophobicContact CZ2-CB 3.94Å; W299-A520 PolarHBondContact NE1-O 2.99Å; W299-K521 HydrophobicContact CD2-CD 4.33Å; W299-K521 HydrophobicContact CH2-CD 4.48Å; W299-K521 HydrophobicContact CZ2-CD 3.83Å; W299-K521 HydrophobicContact CZ2-CG 4.26Å; W299-W578 AromaticContact CH2-CH2 3.51Å; W299-W578 HydrophobicContact CH2-CH2 3.51Å; W299-W578 AromaticContact CH2-CZ2 3.67Å; W299-W578 HydrophobicContact CH2-CZ2 3.67Å; W299-W578 HydrophobicContact CH2-CZ3 4.43Å; W299-W578 HydrophobicContact CZ2-CH2 4.49Å; W299-W578 HydrophobicContact CZ2-CZ2 4.45Å; W299-W578 AromaticContact CZ3-CH2 3.95Å; W299-W578 HydrophobicContact CZ3-CH2 3.95Å; W299-I592 HydrophobicContact CD2-CD1 4.18Å; W299-I592 HydrophobicContact CD2-CG1 3.98Å; W299-I592 HydrophobicContact CE3-CD1 3.85Å; W299-I592 HydrophobicContact CE3-CG1 4.18Å; W299-I592 HydrophobicContact CG-CG1 4.4Å; W299-I592 HydrophobicContact CH2-CD1 4.08Å; W299-I592 HydrophobicContact CH2-CG1 4.45Å; W299-I592 HydrophobicContact CH2-CG2 4.02Å; W299-I592 HydrophobicContact CZ2-CD1 4.45Å; W299-I592 HydrophobicContact CZ2-CG1 4.32Å; W299-I592 HydrophobicContact CZ2-CG2 3.73Å; W299-I592 HydrophobicContact CZ3-CD1 3.74Å; W299-I592 HydrophobicContact CZ3-CG1 4.36Å
300	G	96.4	Very high	97.9	Very high	17 Å²	17	43.4 Å²	43.4	18%	0.175	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.7	39	175.4	0	0	0	0	0	114.8	L525	G300-L525 WeakPolarHBondContact O-CD1 3.44Å
301	V	98.3	Very high	97.9	Very high	9 Å²	9	43.4 Å²	43.4	6%	0.055	22%	0.223	C	C	.	.			trans	-58.8	134.8	171.2	178.6	0	0	0	0	110.9	C295 I303 I306 Q367 L525	C295-V301 HydrophobicContact CB-CG2 4.18Å; C295-V301 WeakPolarHBondContact O-CG2 3.34Å; V301-I303 VanDerWaalsContact C-N 3.25Å; V301-I303 HydrophobicContact CG1-CD1 4.02Å; V301-I303 HydrophobicContact CG1-CG1 4.3Å; V301-I303 PolarHBondContact O-N 3.32Å; V301-I306 HydrophobicContact CG1-CD1 3.37Å; V301-Q367 HydrophobicContact CB-CG 4.42Å; V301-Q367 HydrophobicContact CG2-CG 4.04Å; V301-Q367 VanDerWaalsContact CG2-NE2 3.32Å; V301-L525 WeakPolarHBondContact O-CD1 3.41Å
302	D	98.6	Very high	97.9	Very high	26 Å²	26	41.7 Å²	41.7	14%	0.139	23%	0.226	C	C	.	.			trans	-78.5	75.8	174.4	-166	-5.3	0	0	0	111.2	F304 E305 I306 R524 L525	D302-F304 PolarHBondContact O-N 2.9Å; D302-F304 WeakPolarHBondContact OD1-CB 3.32Å; D302-F304 PolarHBondContact OD1-N 3.44Å; D302-E305 HydrophobicContact CB-CB 4.17Å; D302-E305 PolarHBondContact O-N 2.89Å; D302-E305 PolarHBondContact OD1-N 3.08Å; D302-I306 PolarHBondContact O-N 3.39Å; D302-I306 VanDerWaalsContact O-N 3.11Å; D302-R524 IonicContact OD1-NH1 2.73Å; D302-R524 IonicContact OD1-NH2 3.04Å; D302-R524 IonicContact OD2-CZ 3.89Å; D302-R524 IonicContact OD2-NH1 3.76Å; D302-R524 PolarHBondContact OD2-NH1 2.86Å; D302-R524 IonicContact OD2-NH2 3.28Å; D302-R524 PolarHBondContact OD2-NH2 3.17Å; D302-L525 HydrophobicContact CB-CD2 4.14Å; D302-L525 WeakPolarHBondContact OD1-CD2 3.41Å
303	I	98.7	Very high	98	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-58.3	-30.3	178.4	-65.4	-71.4	0	0	0	111.8	V301 E305 I306 D307 A314 V318 M360 A363 D364 Q367	V301-I303 VanDerWaalsContact C-N 3.25Å; V301-I303 HydrophobicContact CG1-CD1 4.02Å; V301-I303 HydrophobicContact CG1-CG1 4.3Å; V301-I303 PolarHBondContact O-N 3.32Å; I303-E305 VanDerWaalsContact C-N 3.3Å; I303-E305 PolarHBondContact O-N 3.3Å; I303-I306 HydrophobicContact CD1-CD1 4.28Å; I303-I306 PolarHBondContact O-N 3.22Å; I303-D307 WeakPolarHBondContact O-CB 3.46Å; I303-D307 PolarHBondContact O-N 2.94Å; I303-A314 HydrophobicContact CG2-CB 4.25Å; I303-V318 HydrophobicContact CD1-CG2 3.93Å; I303-M360 HydrophobicContact CG2-CB 4.26Å; I303-M360 WeakPolarHBondContact CG2-O 3.29Å; I303-A363 HydrophobicContact CD1-CB 4.33Å; I303-A363 HydrophobicContact CG2-CB 3.92Å; I303-D364 HydrophobicContact CG1-CB 4.1Å; I303-Q367 HydrophobicContact CD1-CB 4.35Å
304	F	98.7	Very high	98.1	Very high	17 Å²	17	39.4 Å²	39.4	8%	0.075	21%	0.206	C	C	.	.	H	α-helix	trans	-62.4	-38.7	175.3	-53.7	-74.4	0	0	0	112.3	D302 R308 M360 L525 K528 W529 R532	D302-F304 PolarHBondContact O-N 2.9Å; D302-F304 WeakPolarHBondContact OD1-CB 3.32Å; D302-F304 PolarHBondContact OD1-N 3.44Å; F304-R308 PolarHBondContact O-N 2.77Å; F304-M360 HydrophobicContact CD1-SD 4.22Å; F304-L525 HydrophobicContact CD2-CD2 3.78Å; F304-L525 HydrophobicContact CE2-CD2 3.94Å; F304-K528 HydrophobicContact CD1-CD 4.37Å; F304-K528 HydrophobicContact CD2-CB 4.36Å; F304-K528 HydrophobicContact CD2-CD 3.49Å; F304-K528 VanDerWaalsContact CD2-CD 3.49Å; F304-K528 HydrophobicContact CE1-CB 4.2Å; F304-K528 HydrophobicContact CE1-CD 4.48Å; F304-K528 HydrophobicContact CE2-CB 3.62Å; F304-K528 HydrophobicContact CE2-CD 3.61Å; F304-K528 HydrophobicContact CE2-CG 4.3Å; F304-K528 HydrophobicContact CG-CD 3.88Å; F304-K528 HydrophobicContact CZ-CB 3.51Å; F304-K528 HydrophobicContact CZ-CD 4.11Å; F304-W529 HydrophobicContact CE1-CD2 4.22Å; F304-W529 HydrophobicContact CE1-CE3 4.37Å; F304-W529 HydrophobicContact CE1-CH2 4.13Å; F304-W529 HydrophobicContact CE1-CZ2 4.01Å; F304-W529 HydrophobicContact CE1-CZ3 4.33Å; F304-W529 HydrophobicContact CE2-CD2 4.49Å; F304-W529 HydrophobicContact CE2-CZ2 4.48Å; F304-W529 AromaticContact CE2-NE1 3.88Å; F304-W529 AromaticContact CZ-CD1 3.9Å; F304-W529 AromaticContact CZ-CD2 3.59Å; F304-W529 HydrophobicContact CZ-CD2 3.59Å; F304-W529 AromaticContact CZ-CE2 3.42Å; F304-W529 VanDerWaalsContact CZ-CE2 3.42Å; F304-W529 HydrophobicContact CZ-CE3 4.15Å; F304-W529 AromaticContact CZ-CG 3.88Å; F304-W529 HydrophobicContact CZ-CG 3.88Å; F304-W529 HydrophobicContact CZ-CH2 4.31Å; F304-W529 AromaticContact CZ-CZ2 3.81Å; F304-W529 HydrophobicContact CZ-CZ2 3.81Å; F304-W529 HydrophobicContact CZ-CZ3 4.49Å; F304-W529 AromaticContact CZ-NE1 3.68Å; F304-R532 VanDerWaalsContact CE1-CZ 3.48Å
305	E	98.5	Very high	98.2	Very high	42 Å²	42	34.1 Å²	34.1	20%	0.196	18%	0.178	C	C	.	.	H	α-helix	trans	-77.1	-36.2	178.7	-175.8	58	-169.9	0	0	111.4	D302 I303 D307 R308 L309	D302-E305 HydrophobicContact CB-CB 4.17Å; D302-E305 PolarHBondContact O-N 2.89Å; D302-E305 PolarHBondContact OD1-N 3.08Å; I303-E305 VanDerWaalsContact C-N 3.3Å; I303-E305 PolarHBondContact O-N 3.3Å; E305-D307 VanDerWaalsContact C-N 3.31Å; E305-D307 PolarHBondContact O-N 3.21Å; E305-R308 PolarHBondContact O-N 3.4Å; E305-R308 IonicContact OE1-CZ 3.66Å; E305-R308 VanDerWaalsContact OE1-CZ 3.32Å; E305-R308 IonicContact OE1-NE 3.31Å; E305-R308 PolarHBondContact OE1-NE 3.38Å; E305-R308 VanDerWaalsContact OE1-NE 3.16Å; E305-R308 IonicContact OE1-NH2 3.83Å; E305-R308 PolarHBondContact OE1-NH2 3.11Å; E305-R308 IonicContact OE2-CZ 2.62Å; E305-R308 IonicContact OE2-NE 3.11Å; E305-R308 PolarHBondContact OE2-NE 3.49Å; E305-R308 IonicContact OE2-NH2 3.81Å; E305-L309 HydrophobicContact CG-CD1 3.91Å; E305-L309 HydrophobicContact CG-CG 4.37Å; E305-L309 WeakPolarHBondContact O-CB 3.36Å; E305-L309 VanDerWaalsContact O-CG 3.25Å; E305-L309 WeakPolarHBondContact O-CG 3.41Å; E305-L309 PolarHBondContact O-N 2.89Å
306	I	98.6	Very high	98.3	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-59.5	-43.8	171.5	-69.4	171	0	0	0	110.5	L288 F292 V301 D302 I303 R308 L309 S310 A314 V318	L288-I306 HydrophobicContact CD2-CB 4.48Å; L288-I306 HydrophobicContact CD2-CG2 4.12Å; F292-I306 HydrophobicContact CD1-CD1 4.44Å; F292-I306 HydrophobicContact CE1-CD1 3.92Å; F292-I306 HydrophobicContact CE1-CG1 4.46Å; F292-I306 HydrophobicContact CE1-CG2 4.05Å; F292-I306 HydrophobicContact CZ-CG2 3.89Å; V301-I306 HydrophobicContact CG1-CD1 3.37Å; D302-I306 PolarHBondContact O-N 3.39Å; D302-I306 VanDerWaalsContact O-N 3.11Å; I303-I306 HydrophobicContact CD1-CD1 4.28Å; I303-I306 PolarHBondContact O-N 3.22Å; I306-R308 PolarHBondContact O-N 2.81Å; I306-L309 PolarHBondContact O-N 3.3Å; I306-S310 VanDerWaalsContact O-CB 3.24Å; I306-S310 WeakPolarHBondContact O-CB 3.19Å; I306-S310 PolarHBondContact O-N 3.37Å; I306-S310 PolarHBondContact O-OG 3.46Å; I306-A314 HydrophobicContact CG2-CB 4.26Å; I306-V318 HydrophobicContact CD1-CG2 4.44Å; I306-V318 HydrophobicContact CG2-CG2 4.03Å
307	D	98.7	Very high	98.4	Very high	24 Å²	24	31.5 Å²	31.5	13%	0.128	16%	0.161	C	C	.	.	H	α-helix	trans	-60.3	-46.6	177.2	-166.4	65.1	0	0	0	111.9	I303 E305 L309 S310 N311 G312 A314 M360	I303-D307 WeakPolarHBondContact O-CB 3.46Å; I303-D307 PolarHBondContact O-N 2.94Å; E305-D307 VanDerWaalsContact C-N 3.31Å; E305-D307 PolarHBondContact O-N 3.21Å; D307-L309 PolarHBondContact O-N 3.44Å; D307-S310 PolarHBondContact O-N 3.47Å; D307-S310 PolarHBondContact O-OG 2.95Å; D307-N311 PolarHBondContact O-N 2.83Å; D307-N311 VanDerWaalsContact O-N 3.1Å; D307-G312 PolarHBondContact O-N 3.01Å; D307-G312 WeakPolarHBondContact OD1-CA 3.32Å; D307-A314 HydrophobicContact CB-CB 3.71Å; D307-A314 WeakPolarHBondContact OD1-CB 3.25Å; D307-A314 PolarHBondContact OD1-N 3.42Å; D307-M360 HydrophobicContact CB-CG 3.72Å; D307-M360 HydrophobicContact CB-SD 3.87Å; D307-M360 VanDerWaalsContact CG-CG 3.46Å
308	R	98.5	Very high	98.4	Very high	140 Å²	140	29.4 Å²	29.4	53%	0.528	15%	0.15	S	C	.	.	H	α-helix	trans	-60.8	-45.7	176.7	-168.1	-163.7	68.7	72.6	-3.9	112.1	F304 E305 I306 N311	F304-R308 PolarHBondContact O-N 2.77Å; E305-R308 PolarHBondContact O-N 3.4Å; E305-R308 IonicContact OE1-CZ 3.66Å; E305-R308 VanDerWaalsContact OE1-CZ 3.32Å; E305-R308 IonicContact OE1-NE 3.31Å; E305-R308 PolarHBondContact OE1-NE 3.38Å; E305-R308 VanDerWaalsContact OE1-NE 3.16Å; E305-R308 IonicContact OE1-NH2 3.83Å; E305-R308 PolarHBondContact OE1-NH2 3.11Å; E305-R308 IonicContact OE2-CZ 2.62Å; E305-R308 IonicContact OE2-NE 3.11Å; E305-R308 PolarHBondContact OE2-NE 3.49Å; E305-R308 IonicContact OE2-NH2 3.81Å; I306-R308 PolarHBondContact O-N 2.81Å; R308-N311 PolarHBondContact O-N 3.26Å
309	L	98.6	Very high	98.5	Very high	3 Å²	3	24 Å²	24	2%	0.016	12%	0.124	C	C	.	.	H	α-helix	trans	-70.2	-35.2	-177.3	-72.9	168.4	0	0	0	112.4	N284 E287 L288 E305 I306 D307 N311	N284-L309 HydrophobicContact CB-CB 4.28Å; N284-L309 HydrophobicContact CB-CD2 3.66Å; N284-L309 PolarHBondContact ND2-O 3.24Å; E287-L309 HydrophobicContact CB-CD2 4.4Å; E287-L309 HydrophobicContact CG-CD1 3.61Å; E287-L309 HydrophobicContact CG-CD2 3.88Å; E287-L309 HydrophobicContact CG-CG 4.43Å; L288-L309 HydrophobicContact CD1-CB 4.33Å; L288-L309 HydrophobicContact CD2-CB 3.62Å; L288-L309 HydrophobicContact CD2-CD1 4.21Å; L288-L309 HydrophobicContact CG-CB 3.8Å; E305-L309 HydrophobicContact CG-CD1 3.91Å; E305-L309 HydrophobicContact CG-CG 4.37Å; E305-L309 WeakPolarHBondContact O-CB 3.36Å; E305-L309 VanDerWaalsContact O-CG 3.25Å; E305-L309 WeakPolarHBondContact O-CG 3.41Å; E305-L309 PolarHBondContact O-N 2.89Å; I306-L309 PolarHBondContact O-N 3.3Å; D307-L309 PolarHBondContact O-N 3.44Å; L309-N311 VanDerWaalsContact C-N 3.3Å
310	S	98.6	Very high	98.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	3.7	177.8	64	0	0	0	0	114.1	I306 D307 H313 A314	I306-S310 VanDerWaalsContact O-CB 3.24Å; I306-S310 WeakPolarHBondContact O-CB 3.19Å; I306-S310 PolarHBondContact O-N 3.37Å; I306-S310 PolarHBondContact O-OG 3.46Å; D307-S310 PolarHBondContact O-N 3.47Å; D307-S310 PolarHBondContact O-OG 2.95Å; S310-H313 WeakPolarHBondContact O-CB 3.13Å; S310-H313 PolarHBondContact O-CD2 3.1Å; S310-H313 VanDerWaalsContact OG-C 3.24Å; S310-H313 PolarHBondContact OG-N 3.15Å; S310-A314 PolarHBondContact OG-N 2.99Å
311	N	97.9	Very high	98.6	Very high	114 Å²	114	24.8 Å²	24.8	61%	0.61	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	46.2	-180	-169.6	51.1	0	0	0	113.6	D307 R308 L309	D307-N311 PolarHBondContact O-N 2.83Å; D307-N311 VanDerWaalsContact O-N 3.1Å; R308-N311 PolarHBondContact O-N 3.26Å; L309-N311 VanDerWaalsContact C-N 3.3Å
312	G	98.2	Very high	98.6	Very high	33 Å²	33	24.4 Å²	24.4	34%	0.34	12%	0.12	S	C	.	.	S	Bend	trans	83.3	20.1	178.7	0	0	0	0	0	114.2	D307	D307-G312 PolarHBondContact O-N 3.01Å; D307-G312 WeakPolarHBondContact OD1-CA 3.32Å
313	H	98.7	Very high	98.6	Very high	53 Å²	53	23.3 Å²	23.3	25%	0.245	11%	0.114	C	C	.	.			trans	-116.8	34.8	-175.8	-66.3	-57	0	0	0	112.7	V280 S310 L315 T316 T317 E347	V280-H313 HydrophobicContact CG2-CB 3.96Å; S310-H313 WeakPolarHBondContact O-CB 3.13Å; S310-H313 PolarHBondContact O-CD2 3.1Å; S310-H313 VanDerWaalsContact OG-C 3.24Å; S310-H313 PolarHBondContact OG-N 3.15Å; H313-L315 PolarHBondContact O-N 3.22Å; H313-T316 PolarHBondContact O-N 2.93Å; H313-T317 HydrophobicContact CB-CG2 4.4Å; H313-T317 WeakPolarHBondContact O-CB 2.89Å; H313-T317 WeakPolarHBondContact O-CG2 3.39Å; H313-T317 PolarHBondContact O-N 3.1Å; H313-T317 PolarHBondContact O-OG1 3.19Å; H313-E347 VanDerWaalsContact CA-OE1 3.25Å; H313-E347 WeakPolarHBondContact CA-OE1 3.1Å; H313-E347 IonicContact CE1-OE2 3.67Å; H313-E347 IonicContact CG-OE2 3.24Å; H313-E347 IonicContact ND1-OE2 2.65Å; H313-E347 PolarHBondContact ND1-OE2 2.78Å
314	A	98.7	Very high	98.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-58.2	-45.1	-179.9	0	0	0	0	0	112.4	I303 I306 D307 S310 T317 V318 A363	I303-A314 HydrophobicContact CG2-CB 4.25Å; I306-A314 HydrophobicContact CG2-CB 4.26Å; D307-A314 HydrophobicContact CB-CB 3.71Å; D307-A314 WeakPolarHBondContact OD1-CB 3.25Å; D307-A314 PolarHBondContact OD1-N 3.42Å; S310-A314 PolarHBondContact OG-N 2.99Å; A314-T317 PolarHBondContact O-OG1 2.91Å; A314-V318 WeakPolarHBondContact O-CB 3.15Å; A314-V318 WeakPolarHBondContact O-CG2 3.32Å; A314-V318 PolarHBondContact O-N 3.49Å; A314-A363 HydrophobicContact CB-CB 4.03Å
315	L	98.9	Very high	98.5	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.3	-47.4	-178.3	177.9	61.3	0	0	0	110.3	H313 A319 V346 E347 Y350 A362 A363 L366 A395	H313-L315 PolarHBondContact O-N 3.22Å; L315-A319 WeakPolarHBondContact O-CB 3.42Å; L315-A319 PolarHBondContact O-N 3.42Å; L315-V346 HydrophobicContact CD2-CG1 4.03Å; L315-E347 HydrophobicContact CB-CG 4.33Å; L315-E347 WeakPolarHBondContact CB-OE1 3.48Å; L315-E347 HydrophobicContact CD2-CB 4.28Å; L315-E347 PolarHBondContact N-OE1 3.19Å; L315-Y350 HydrophobicContact CD2-CD2 4.1Å; L315-Y350 HydrophobicContact CD2-CE2 3.9Å; L315-A362 HydrophobicContact CD1-CB 3.97Å; L315-A362 HydrophobicContact CD2-CB 4.09Å; L315-A363 HydrophobicContact CB-CB 4.28Å; L315-A363 HydrophobicContact CD1-CB 4.46Å; L315-L366 HydrophobicContact CD1-CD2 4.13Å; L315-A395 HydrophobicContact CD1-CB 4.1Å
316	T	98.9	Very high	98.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.2	-48.4	-179.7	-60.9	0	0	0	0	111.6	V280 H313 Y320 V340 L343 L344 E347	V280-T316 HydrophobicContact CG1-CG2 3.69Å; H313-T316 PolarHBondContact O-N 2.93Å; T316-Y320 VanDerWaalsContact O-CB 3.22Å; T316-Y320 WeakPolarHBondContact O-CB 3.24Å; T316-Y320 PolarHBondContact O-N 2.89Å; T316-V340 HydrophobicContact CG2-CG1 4.39Å; T316-L343 HydrophobicContact CG2-CB 4.01Å; T316-L343 HydrophobicContact CG2-CD1 4.43Å; T316-L344 HydrophobicContact CG2-CD2 4.34Å; T316-L344 HydrophobicContact CG2-CG 4.29Å; T316-E347 PolarHBondContact N-OE1 3.47Å; T316-E347 VanDerWaalsContact OG1-CD 3.28Å; T316-E347 PolarHBondContact OG1-OE2 3.07Å
317	T	98.8	Very high	98.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-69.4	-45.9	-177.2	54.7	0	0	0	0	112.2	H278 V280 T282 H313 A314 Y320 R321	H278-T317 HydrophobicContact CB-CG2 3.89Å; V280-T317 HydrophobicContact CG2-CG2 3.55Å; T282-T317 HydrophobicContact CG2-CG2 4.48Å; H313-T317 HydrophobicContact CB-CG2 4.4Å; H313-T317 WeakPolarHBondContact O-CB 2.89Å; H313-T317 WeakPolarHBondContact O-CG2 3.39Å; H313-T317 PolarHBondContact O-N 3.1Å; H313-T317 PolarHBondContact O-OG1 3.19Å; A314-T317 PolarHBondContact O-OG1 2.91Å; T317-Y320 PolarHBondContact O-N 3.17Å; T317-R321 WeakPolarHBondContact O-CG 3.12Å; T317-R321 PolarHBondContact O-N 2.81Å
318	V	98.9	Very high	98.5	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.2	-48.1	177.1	170.2	0	0	0	0	110.8	F292 I303 I306 A314 Y320 R321 I322 A363 L366 Q367	F292-V318 HydrophobicContact CE1-CG2 3.93Å; F292-V318 HydrophobicContact CZ-CG2 4.44Å; I303-V318 HydrophobicContact CD1-CG2 3.93Å; I306-V318 HydrophobicContact CD1-CG2 4.44Å; I306-V318 HydrophobicContact CG2-CG2 4.03Å; A314-V318 WeakPolarHBondContact O-CB 3.15Å; A314-V318 WeakPolarHBondContact O-CG2 3.32Å; A314-V318 PolarHBondContact O-N 3.49Å; V318-Y320 PolarHBondContact O-N 3.02Å; V318-R321 PolarHBondContact O-N 3.46Å; V318-I322 HydrophobicContact CG1-CD1 3.56Å; V318-I322 HydrophobicContact CG1-CG1 4.39Å; V318-I322 WeakPolarHBondContact O-CB 3.38Å; V318-I322 WeakPolarHBondContact O-CG1 3.44Å; V318-I322 PolarHBondContact O-N 2.83Å; V318-A363 HydrophobicContact CG2-CB 4.5Å; V318-L366 HydrophobicContact CG1-CD2 4.33Å; V318-Q367 HydrophobicContact CG1-CB 3.97Å
319	A	98.9	Very high	98.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.4	-45.3	178.6	0	0	0	0	0	112	L315 R321 I322 F323 L343 L366	L315-A319 WeakPolarHBondContact O-CB 3.42Å; L315-A319 PolarHBondContact O-N 3.42Å; A319-R321 VanDerWaalsContact C-N 3.35Å; A319-R321 PolarHBondContact O-N 3.28Å; A319-I322 PolarHBondContact O-N 3.06Å; A319-F323 WeakPolarHBondContact O-CB 3.17Å; A319-F323 WeakPolarHBondContact O-CD2 3.38Å; A319-F323 PolarHBondContact O-N 3.14Å; A319-L343 HydrophobicContact CB-CD1 3.64Å; A319-L343 HydrophobicContact CB-CD2 3.63Å; A319-L343 HydrophobicContact CB-CG 4.31Å; A319-L366 HydrophobicContact CB-CD2 3.49Å; A319-L366 VanDerWaalsContact CB-CD2 3.49Å
320	Y	98.7	Very high	98.5	Very high	15 Å²	15	35.3 Å²	35.3	6%	0.059	17%	0.171	C	C	.	.	H	α-helix	trans	-57.1	-47.8	177.2	-172.9	-108.3	0	0	0	112	L275 H278 T316 T317 V318 F323 Q324 L329 P336 F339 V340	L275-Y320 HydrophobicContact CD2-CE1 4.33Å; L275-Y320 HydrophobicContact CD2-CE2 3.76Å; L275-Y320 VanDerWaalsContact CD2-CZ 3.46Å; L275-Y320 WeakPolarHBondContact CD2-OH 3.46Å; H278-Y320 VanDerWaalsContact C-CD1 3.41Å; T316-Y320 VanDerWaalsContact O-CB 3.22Å; T316-Y320 WeakPolarHBondContact O-CB 3.24Å; T316-Y320 PolarHBondContact O-N 2.89Å; T317-Y320 PolarHBondContact O-N 3.17Å; V318-Y320 PolarHBondContact O-N 3.02Å; Y320-F323 PolarHBondContact O-N 3.29Å; Y320-Q324 HydrophobicContact CD1-CG 4.49Å; Y320-Q324 HydrophobicContact CE1-CG 4.14Å; Y320-Q324 VanDerWaalsContact CZ-NE2 3.25Å; Y320-Q324 WeakPolarHBondContact O-CG 3.32Å; Y320-Q324 PolarHBondContact O-N 3.04Å; Y320-Q324 PolarHBondContact OH-NE2 3.42Å; Y320-L329 HydrophobicContact CE2-CD1 3.99Å; Y320-P336 HydrophobicContact CE2-CB 4.28Å; Y320-F339 HydrophobicContact CD2-CD1 4.03Å; Y320-F339 HydrophobicContact CD2-CE1 4.49Å; Y320-V340 HydrophobicContact CD2-CG2 3.8Å; Y320-V340 HydrophobicContact CE2-CG2 4.03Å; Y320-V340 HydrophobicContact CG-CG2 4.5Å
321	R	98.5	Very high	98.5	Very high	40 Å²	40	38.2 Å²	38.2	15%	0.151	19%	0.189	C	C	.	.	H	α-helix	trans	-70.7	-37.7	-178	-60.1	-66.2	-84.4	138	-0.4	112.4	E289 F292 L296 T317 V318 A319 Q324 K325	E289-R321 IonicContact OE1-CZ 3.39Å; E289-R321 IonicContact OE1-NH2 2.91Å; E289-R321 PolarHBondContact OE1-NH2 2.76Å; E289-R321 IonicContact OE2-CZ 3.88Å; E289-R321 VanDerWaalsContact OE2-CZ 3.31Å; E289-R321 IonicContact OE2-NE 2.68Å; E289-R321 IonicContact OE2-NH2 3.16Å; E289-R321 PolarHBondContact OE2-NH2 3.05Å; F292-R321 HydrophobicContact CD1-CG 4.46Å; F292-R321 HydrophobicContact CD2-CG 3.74Å; F292-R321 HydrophobicContact CE2-CG 3.89Å; F292-R321 HydrophobicContact CG-CB 4.41Å; F292-R321 HydrophobicContact CG-CG 4.04Å; F292-R321 HydrophobicContact CZ-CG 4.32Å; L296-R321 HydrophobicContact CD1-CB 4.39Å; L296-R321 HydrophobicContact CD2-CB 4.29Å; T317-R321 WeakPolarHBondContact O-CG 3.12Å; T317-R321 PolarHBondContact O-N 2.81Å; V318-R321 PolarHBondContact O-N 3.46Å; A319-R321 VanDerWaalsContact C-N 3.35Å; A319-R321 PolarHBondContact O-N 3.28Å; R321-Q324 PolarHBondContact O-N 3.25Å; R321-K325 VanDerWaalsContact O-CB 3.3Å; R321-K325 WeakPolarHBondContact O-CB 3.27Å; R321-K325 PolarHBondContact O-N 3.12Å
322	I	98.7	Very high	98.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.8	-45.6	173	-74.1	168.6	0	0	0	111.2	L296 V318 A319 K325 R326 L366 Q367 H370 L391	L296-I322 HydrophobicContact CD1-CG1 4.16Å; L296-I322 HydrophobicContact CD2-CG1 3.82Å; L296-I322 HydrophobicContact CG-CG1 4.06Å; V318-I322 HydrophobicContact CG1-CD1 3.56Å; V318-I322 HydrophobicContact CG1-CG1 4.39Å; V318-I322 WeakPolarHBondContact O-CB 3.38Å; V318-I322 WeakPolarHBondContact O-CG1 3.44Å; V318-I322 PolarHBondContact O-N 2.83Å; A319-I322 PolarHBondContact O-N 3.06Å; I322-K325 PolarHBondContact O-N 2.59Å; I322-R326 PolarHBondContact O-N 3.18Å; I322-L366 HydrophobicContact CD1-CD1 4.43Å; I322-L366 HydrophobicContact CD1-CD2 4.39Å; I322-L366 HydrophobicContact CD1-CG 3.9Å; I322-Q367 HydrophobicContact CD1-CB 4.36Å; I322-H370 HydrophobicContact CD1-CB 3.79Å; I322-H370 HydrophobicContact CG1-CB 4.23Å; I322-H370 HydrophobicContact CG2-CB 4.25Å; I322-H370 WeakPolarHBondContact CG2-ND1 3.26Å; I322-L391 HydrophobicContact CG2-CD1 3.89Å; I322-L391 HydrophobicContact CG2-CD2 4.35Å
323	F	98.7	Very high	98.5	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.018	17%	0.173	C	C	.	.	H	α-helix	trans	-69.1	-34.1	-178.6	-86.4	-123	0	0	0	112.4	A319 Y320 D327 L328 L329 F339 L388 L391	A319-F323 WeakPolarHBondContact O-CB 3.17Å; A319-F323 WeakPolarHBondContact O-CD2 3.38Å; A319-F323 PolarHBondContact O-N 3.14Å; Y320-F323 PolarHBondContact O-N 3.29Å; F323-D327 PolarHBondContact O-N 2.78Å; F323-L328 HydrophobicContact CB-CB 4.41Å; F323-L328 HydrophobicContact CD1-CB 3.84Å; F323-L328 HydrophobicContact CD1-CD1 4.15Å; F323-L328 HydrophobicContact CD2-CD1 4.3Å; F323-L328 HydrophobicContact CE1-CB 4.44Å; F323-L328 HydrophobicContact CE1-CD1 4.29Å; F323-L328 HydrophobicContact CE2-CD1 4.42Å; F323-L328 HydrophobicContact CG-CB 4.24Å; F323-L328 HydrophobicContact CG-CD1 4.16Å; F323-L328 HydrophobicContact CZ-CD1 4.43Å; F323-L328 PolarHBondContact O-N 3.02Å; F323-L329 HydrophobicContact CB-CD2 4Å; F323-L329 HydrophobicContact CB-CG 4.03Å; F323-L329 HydrophobicContact CD1-CD2 4Å; F323-L329 HydrophobicContact CG-CD2 4.48Å; F323-F339 HydrophobicContact CB-CE1 3.89Å; F323-F339 HydrophobicContact CB-CZ 4.02Å; F323-F339 HydrophobicContact CD1-CD2 4.39Å; F323-F339 AromaticContact CD1-CE1 3.95Å; F323-F339 HydrophobicContact CD1-CE1 3.95Å; F323-F339 AromaticContact CD1-CE2 3.54Å; F323-F339 HydrophobicContact CD1-CE2 3.54Å; F323-F339 AromaticContact CD1-CZ 3.28Å; F323-F339 HydrophobicContact CD1-CZ 3.28Å; F323-F339 HydrophobicContact CD2-CE1 4.24Å; F323-F339 AromaticContact CD2-CZ 3.65Å; F323-F339 HydrophobicContact CD2-CZ 3.65Å; F323-F339 HydrophobicContact CE1-CD2 4.45Å; F323-F339 AromaticContact CE1-CE2 3.41Å; F323-F339 HydrophobicContact CE1-CE2 3.41Å; F323-F339 VanDerWaalsContact CE1-CE2 3.41Å; F323-F339 AromaticContact CE1-CZ 3.47Å; F323-F339 HydrophobicContact CE1-CZ 3.47Å; F323-F339 VanDerWaalsContact CE1-CZ 3.47Å; F323-F339 HydrophobicContact CE2-CE2 4.46Å; F323-F339 AromaticContact CE2-CZ 3.83Å; F323-F339 HydrophobicContact CE2-CZ 3.83Å; F323-F339 AromaticContact CG-CE1 3.77Å; F323-F339 HydrophobicContact CG-CE1 3.77Å; F323-F339 HydrophobicContact CG-CE2 4.13Å; F323-F339 AromaticContact CG-CZ 3.37Å; F323-F339 HydrophobicContact CG-CZ 3.37Å; F323-F339 AromaticContact CZ-CE2 3.92Å; F323-F339 HydrophobicContact CZ-CE2 3.92Å; F323-F339 AromaticContact CZ-CZ 3.75Å; F323-F339 HydrophobicContact CZ-CZ 3.75Å; F323-L388 HydrophobicContact CD1-CD1 4.49Å; F323-L388 HydrophobicContact CE1-CD1 3.44Å; F323-L388 VanDerWaalsContact CE1-CD1 3.44Å; F323-L388 HydrophobicContact CZ-CD1 3.8Å; F323-L391 HydrophobicContact CE2-CB 4.11Å
324	Q	97.7	Very high	98.5	Very high	67 Å²	67	33.6 Å²	33.6	31%	0.313	16%	0.163	S	C	.	.	H	α-helix	trans	-63.9	-49.5	169	-75.7	-176.2	-34.1	0	0	111.3	Y320 R321 R326 D327 L329	Y320-Q324 HydrophobicContact CD1-CG 4.49Å; Y320-Q324 HydrophobicContact CE1-CG 4.14Å; Y320-Q324 VanDerWaalsContact CZ-NE2 3.25Å; Y320-Q324 WeakPolarHBondContact O-CG 3.32Å; Y320-Q324 PolarHBondContact O-N 3.04Å; Y320-Q324 PolarHBondContact OH-NE2 3.42Å; R321-Q324 PolarHBondContact O-N 3.25Å; Q324-R326 VanDerWaalsContact C-N 3.31Å; Q324-R326 PolarHBondContact O-N 3.11Å; Q324-D327 PolarHBondContact O-N 2.91Å; Q324-L329 HydrophobicContact CG-CD1 4.17Å
325	K	98	Very high	98.5	Very high	113 Å²	113	37.4 Å²	37.4	49%	0.491	18%	0.184	S	C	.	.	H	α-helix	trans	-62.5	-38.2	-175.6	-168.8	-168.4	165.1	100	0	112.5	L296 D297 R321 I322 D327	L296-K325 HydrophobicContact CD2-CB 4.46Å; L296-K325 HydrophobicContact CD2-CD 4.04Å; D297-K325 VanDerWaalsContact CG-CE 3.46Å; D297-K325 WeakPolarHBondContact OD1-CD 3.32Å; D297-K325 WeakPolarHBondContact OD1-CE 3.35Å; D297-K325 IonicContact OD1-NZ 3.62Å; D297-K325 PolarHBondContact OD1-NZ 2.98Å; D297-K325 VanDerWaalsContact OD2-CE 3.24Å; D297-K325 WeakPolarHBondContact OD2-CE 3.36Å; D297-K325 IonicContact OD2-NZ 3.04Å; D297-K325 PolarHBondContact OD2-NZ 3.33Å; R321-K325 VanDerWaalsContact O-CB 3.3Å; R321-K325 WeakPolarHBondContact O-CB 3.27Å; R321-K325 PolarHBondContact O-N 3.12Å; I322-K325 PolarHBondContact O-N 2.59Å; K325-D327 VanDerWaalsContact C-N 3.28Å; K325-D327 PolarHBondContact O-N 3.39Å
326	R	98.1	Very high	98.5	Very high	58 Å²	58	39.7 Å²	39.7	22%	0.219	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	5.5	175.9	-68.1	-175.1	173	-75.7	-7	113.9	I322 Q324 L328 H370 L373	I322-R326 PolarHBondContact O-N 3.18Å; Q324-R326 VanDerWaalsContact C-N 3.31Å; Q324-R326 PolarHBondContact O-N 3.11Å; R326-L328 HydrophobicContact CB-CD1 4.02Å; R326-L328 HydrophobicContact CB-CG 3.78Å; R326-L328 PolarHBondContact O-N 2.87Å; R326-H370 PolarHBondContact NE-CE1 2.83Å; R326-H370 VanDerWaalsContact NE-CE1 3.32Å; R326-H370 PolarHBondContact NE-ND1 3.43Å; R326-H370 PolarHBondContact NH2-O 3.36Å; R326-L373 VanDerWaalsContact NH2-CB 3.32Å
327	D	98.5	Very high	98.4	Very high	73 Å²	73	42.7 Å²	42.7	39%	0.39	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	22.9	-175.7	-150.7	21.2	0	0	0	114.1	F323 Q324 K325 L329 K330 T331	F323-D327 PolarHBondContact O-N 2.78Å; Q324-D327 PolarHBondContact O-N 2.91Å; K325-D327 VanDerWaalsContact C-N 3.28Å; K325-D327 PolarHBondContact O-N 3.39Å; D327-L329 VanDerWaalsContact C-N 3.34Å; D327-L329 PolarHBondContact O-N 2.66Å; D327-K330 PolarHBondContact O-N 2.84Å; D327-K330 WeakPolarHBondContact OD1-CB 3.41Å; D327-K330 WeakPolarHBondContact OD1-CD 3.41Å; D327-K330 IonicContact OD2-NZ 3.64Å; D327-T331 WeakPolarHBondContact O-CB 3.47Å; D327-T331 PolarHBondContact O-N 2.92Å; D327-T331 PolarHBondContact O-OG1 2.52Å
328	L	98.7	Very high	98.4	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-66.8	-34.5	-174.2	-69.8	173.5	0	0	0	112.2	F323 R326 K330 F332 I387 L388 L391	F323-L328 HydrophobicContact CB-CB 4.41Å; F323-L328 HydrophobicContact CD1-CB 3.84Å; F323-L328 HydrophobicContact CD1-CD1 4.15Å; F323-L328 HydrophobicContact CD2-CD1 4.3Å; F323-L328 HydrophobicContact CE1-CB 4.44Å; F323-L328 HydrophobicContact CE1-CD1 4.29Å; F323-L328 HydrophobicContact CE2-CD1 4.42Å; F323-L328 HydrophobicContact CG-CB 4.24Å; F323-L328 HydrophobicContact CG-CD1 4.16Å; F323-L328 HydrophobicContact CZ-CD1 4.43Å; F323-L328 PolarHBondContact O-N 3.02Å; R326-L328 HydrophobicContact CB-CD1 4.02Å; R326-L328 HydrophobicContact CB-CG 3.78Å; R326-L328 PolarHBondContact O-N 2.87Å; L328-K330 VanDerWaalsContact C-N 3.3Å; L328-K330 PolarHBondContact O-N 3.3Å; L328-F332 HydrophobicContact CB-CD2 4.47Å; L328-F332 HydrophobicContact CD2-CD2 4.08Å; L328-F332 HydrophobicContact CD2-CE2 3.72Å; L328-F332 WeakPolarHBondContact O-CB 3.31Å; L328-F332 WeakPolarHBondContact O-CD2 3.37Å; L328-F332 PolarHBondContact O-N 2.77Å; L328-I387 HydrophobicContact CD1-CG2 4.37Å; L328-I387 HydrophobicContact CD2-CG2 4.38Å; L328-L388 HydrophobicContact CD2-CB 4.44Å; L328-L391 HydrophobicContact CD1-CD1 3.79Å
329	L	98.4	Very high	98.4	Very high	18 Å²	18	44.2 Å²	44.2	9%	0.094	22%	0.222	C	C	.	.	H	α-helix	trans	-59.9	-44.2	176.5	-59.4	-178.6	0	0	0	110.8	Y320 F323 Q324 D327 C333 I334 F339	Y320-L329 HydrophobicContact CE2-CD1 3.99Å; F323-L329 HydrophobicContact CB-CD2 4Å; F323-L329 HydrophobicContact CB-CG 4.03Å; F323-L329 HydrophobicContact CD1-CD2 4Å; F323-L329 HydrophobicContact CG-CD2 4.48Å; Q324-L329 HydrophobicContact CG-CD1 4.17Å; D327-L329 VanDerWaalsContact C-N 3.34Å; D327-L329 PolarHBondContact O-N 2.66Å; L329-C333 CarbonylContact O-C 3.48Å; L329-C333 WeakPolarHBondContact O-CA 3.46Å; L329-C333 PolarHBondContact O-N 3.44Å; L329-I334 HydrophobicContact CD2-CB 4Å; L329-I334 HydrophobicContact CD2-CG2 4.17Å; L329-I334 PolarHBondContact O-N 3.35Å; L329-F339 HydrophobicContact CD2-CB 4.08Å; L329-F339 HydrophobicContact CD2-CD1 3.72Å; L329-F339 HydrophobicContact CD2-CD2 4.13Å; L329-F339 HydrophobicContact CD2-CE1 4.16Å; L329-F339 HydrophobicContact CD2-CG 3.71Å
330	K	98.3	Very high	98.4	Very high	151 Å²	151	44.7 Å²	44.7	66%	0.657	22%	0.224	S	C	*	.	H	α-helix	trans	-74.1	-47.4	179.5	-173.2	177.3	164.1	-157.3	0	111.6	D327 L328 F332 C333	D327-K330 PolarHBondContact O-N 2.84Å; D327-K330 WeakPolarHBondContact OD1-CB 3.41Å; D327-K330 WeakPolarHBondContact OD1-CD 3.41Å; D327-K330 IonicContact OD2-NZ 3.64Å; L328-K330 VanDerWaalsContact C-N 3.3Å; L328-K330 PolarHBondContact O-N 3.3Å; K330-F332 PolarHBondContact O-N 2.78Å; K330-C333 PolarHBondContact O-N 3.48Å; K330-C333 VanDerWaalsContact O-N 3.09Å
331	T	98.5	Very high	98.4	Very high	62 Å²	62	48.7 Å²	48.7	38%	0.38	24%	0.239	S	C	.	.	H	α-helix	trans	-55.7	-39.2	179.9	-65.2	0	0	0	0	112.5	D327 D384	D327-T331 WeakPolarHBondContact O-CB 3.47Å; D327-T331 PolarHBondContact O-N 2.92Å; D327-T331 PolarHBondContact O-OG1 2.52Å; T331-D384 HydrophobicContact CG2-CB 4.04Å
332	F	98.5	Very high	98.4	Very high	13 Å²	13	47 Å²	47	6%	0.057	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	6.5	-180	-68.3	-70.1	0	0	0	114.4	L328 K330 I334 D384 L385 L388 L449	L328-F332 HydrophobicContact CB-CD2 4.47Å; L328-F332 HydrophobicContact CD2-CD2 4.08Å; L328-F332 HydrophobicContact CD2-CE2 3.72Å; L328-F332 WeakPolarHBondContact O-CB 3.31Å; L328-F332 WeakPolarHBondContact O-CD2 3.37Å; L328-F332 PolarHBondContact O-N 2.77Å; K330-F332 PolarHBondContact O-N 2.78Å; F332-I334 HydrophobicContact CB-CD1 3.98Å; F332-I334 HydrophobicContact CB-CG1 3.74Å; F332-I334 PolarHBondContact O-N 3.19Å; F332-D384 HydrophobicContact CE2-CB 3.9Å; F332-D384 WeakPolarHBondContact CE2-O 3.09Å; F332-D384 VanDerWaalsContact CZ-C 3.48Å; F332-D384 HydrophobicContact CZ-CB 3.72Å; F332-D384 WeakPolarHBondContact CZ-O 3.4Å; F332-L385 HydrophobicContact CE1-CB 4.47Å; F332-L385 HydrophobicContact CE1-CD1 3.72Å; F332-L385 HydrophobicContact CZ-CB 4.24Å; F332-L385 HydrophobicContact CZ-CD1 4.12Å; F332-L388 HydrophobicContact CB-CD2 4.49Å; F332-L388 HydrophobicContact CD1-CD2 3.97Å; F332-L388 HydrophobicContact CD2-CB 4.32Å; F332-L388 HydrophobicContact CD2-CD2 3.61Å; F332-L388 HydrophobicContact CD2-CG 4.38Å; F332-L388 HydrophobicContact CE1-CD2 4.09Å; F332-L388 HydrophobicContact CE2-CB 3.78Å; F332-L388 HydrophobicContact CE2-CD2 3.73Å; F332-L388 HydrophobicContact CE2-CG 4.3Å; F332-L388 HydrophobicContact CG-CD2 3.74Å; F332-L388 HydrophobicContact CZ-CB 4.22Å; F332-L388 HydrophobicContact CZ-CD2 3.98Å; F332-L449 HydrophobicContact CB-CD1 3.96Å; F332-L449 HydrophobicContact CD1-CD1 3.92Å; F332-L449 HydrophobicContact CD1-CD2 4.29Å; F332-L449 HydrophobicContact CD1-CG 4.09Å; F332-L449 HydrophobicContact CG-CD1 4.33Å
333	C	98.4	Very high	98.4	Very high	81 Å²	81	47.2 Å²	47.2	55%	0.547	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	42.2	-178.1	-60.2	0	0	0	0	112.1	L329 K330 N448	L329-C333 CarbonylContact O-C 3.48Å; L329-C333 WeakPolarHBondContact O-CA 3.46Å; L329-C333 PolarHBondContact O-N 3.44Å; K330-C333 PolarHBondContact O-N 3.48Å; K330-C333 VanDerWaalsContact O-N 3.09Å; C333-N448 HydrophobicContact CB-CB 4.04Å; C333-N448 PolarHBondContact O-ND2 3.13Å
334	I	98.6	Very high	98.4	Very high	9 Å²	9	49.8 Å²	49.8	5%	0.046	25%	0.248	C	C	.	.			trans	-83.3	119.9	176.9	-48.7	-175.9	0	0	0	107.9	L329 F332 F339 I445	L329-I334 HydrophobicContact CD2-CB 4Å; L329-I334 HydrophobicContact CD2-CG2 4.17Å; L329-I334 PolarHBondContact O-N 3.35Å; F332-I334 HydrophobicContact CB-CD1 3.98Å; F332-I334 HydrophobicContact CB-CG1 3.74Å; F332-I334 PolarHBondContact O-N 3.19Å; I334-F339 HydrophobicContact CG2-CB 3.86Å; I334-F339 HydrophobicContact CG2-CD2 4.05Å; I334-F339 HydrophobicContact CG2-CG 4.29Å; I334-I445 WeakPolarHBondContact CG1-O 3.3Å; I334-I445 HydrophobicContact CG2-CB 3.88Å; I334-I445 HydrophobicContact CG2-CG2 4.29Å
335	D	98	Very high	98.5	Very high	80 Å²	80	50.6 Å²	50.6	43%	0.428	25%	0.248	S	C	.	.			trans	-63	125.4	173.4	-178.5	-59.1	0	0	0	109.5	H337 V338 F339	D335-H337 VanDerWaalsContact C-N 3.27Å; D335-H337 PolarHBondContact O-N 3.02Å; D335-H337 WeakPolarHBondContact OD1-CA 3.42Å; D335-H337 VanDerWaalsContact OD1-CB 3.3Å; D335-H337 WeakPolarHBondContact OD1-CB 3.49Å; D335-H337 IonicContact OD1-CG 3.64Å; D335-H337 PolarHBondContact OD1-N 2.86Å; D335-H337 IonicContact OD1-ND1 3.04Å; D335-V338 HydrophobicContact CB-CB 4.04Å; D335-V338 HydrophobicContact CB-CG2 3.8Å; D335-V338 PolarHBondContact O-N 2.93Å; D335-V338 VanDerWaalsContact O-N 3.13Å; D335-V338 PolarHBondContact OD1-N 3.09Å; D335-F339 PolarHBondContact O-N 3.25Å
336	P	98.2	Very high	98.5	Very high	48 Å²	48	45.2 Å²	45.2	31%	0.312	23%	0.225	S	C	.	.	H	α-helix	trans	-57.2	-35.2	-178	-26.7	35.4	0	0	0	114.2	L275 Y320 F339 V340	L275-P336 HydrophobicContact CD2-CB 3.74Å; Y320-P336 HydrophobicContact CE2-CB 4.28Å; P336-F339 PolarHBondContact O-N 3.24Å; P336-V340 WeakPolarHBondContact O-CG2 3.11Å; P336-V340 PolarHBondContact O-N 3.46Å
337	H	97.9	Very high	98.5	Very high	63 Å²	63	43 Å²	43	29%	0.292	22%	0.217	S	C	.	.	H	α-helix	trans	-72.2	-35.9	178.8	-60.5	66.8	0	0	0	111.4	P273 L275 D335 R341	P273-H337 PolarHBondContact O-NE2 3.05Å; L275-H337 HydrophobicContact CD1-CB 4.29Å; D335-H337 VanDerWaalsContact C-N 3.27Å; D335-H337 PolarHBondContact O-N 3.02Å; D335-H337 WeakPolarHBondContact OD1-CA 3.42Å; D335-H337 VanDerWaalsContact OD1-CB 3.3Å; D335-H337 WeakPolarHBondContact OD1-CB 3.49Å; D335-H337 IonicContact OD1-CG 3.64Å; D335-H337 PolarHBondContact OD1-N 2.86Å; D335-H337 IonicContact OD1-ND1 3.04Å; H337-R341 VanDerWaalsContact O-CB 3.23Å; H337-R341 WeakPolarHBondContact O-CB 3.38Å; H337-R341 PolarHBondContact O-N 3.12Å; H337-R341 VanDerWaalsContact O-N 3.09Å
338	V	98.4	Very high	98.5	Very high	29 Å²	29	43.2 Å²	43.2	18%	0.176	22%	0.224	C	C	.	.	H	α-helix	trans	-66.9	-41.2	172.4	176.1	0	0	0	0	110.1	D335 R341 Y342 D442 I445	D335-V338 HydrophobicContact CB-CB 4.04Å; D335-V338 HydrophobicContact CB-CG2 3.8Å; D335-V338 PolarHBondContact O-N 2.93Å; D335-V338 VanDerWaalsContact O-N 3.13Å; D335-V338 PolarHBondContact OD1-N 3.09Å; V338-R341 PolarHBondContact O-N 3.08Å; V338-Y342 WeakPolarHBondContact O-CB 3.48Å; V338-Y342 PolarHBondContact O-N 3.36Å; V338-D442 WeakPolarHBondContact CG1-O 3.46Å; V338-I445 HydrophobicContact CG1-CG2 4.08Å
339	F	98.7	Very high	98.5	Very high	3 Å²	3	43.8 Å²	43.8	1%	0.013	23%	0.228	C	C	.	.	H	α-helix	trans	-63	-51.6	178.6	-168.6	-114.2	0	0	0	112.7	Y320 F323 L329 I334 D335 P336 R341 Y342 L343 I445	Y320-F339 HydrophobicContact CD2-CD1 4.03Å; Y320-F339 HydrophobicContact CD2-CE1 4.49Å; F323-F339 HydrophobicContact CB-CE1 3.89Å; F323-F339 HydrophobicContact CB-CZ 4.02Å; F323-F339 HydrophobicContact CD1-CD2 4.39Å; F323-F339 AromaticContact CD1-CE1 3.95Å; F323-F339 HydrophobicContact CD1-CE1 3.95Å; F323-F339 AromaticContact CD1-CE2 3.54Å; F323-F339 HydrophobicContact CD1-CE2 3.54Å; F323-F339 AromaticContact CD1-CZ 3.28Å; F323-F339 HydrophobicContact CD1-CZ 3.28Å; F323-F339 HydrophobicContact CD2-CE1 4.24Å; F323-F339 AromaticContact CD2-CZ 3.65Å; F323-F339 HydrophobicContact CD2-CZ 3.65Å; F323-F339 HydrophobicContact CE1-CD2 4.45Å; F323-F339 AromaticContact CE1-CE2 3.41Å; F323-F339 HydrophobicContact CE1-CE2 3.41Å; F323-F339 VanDerWaalsContact CE1-CE2 3.41Å; F323-F339 AromaticContact CE1-CZ 3.47Å; F323-F339 HydrophobicContact CE1-CZ 3.47Å; F323-F339 VanDerWaalsContact CE1-CZ 3.47Å; F323-F339 HydrophobicContact CE2-CE2 4.46Å; F323-F339 AromaticContact CE2-CZ 3.83Å; F323-F339 HydrophobicContact CE2-CZ 3.83Å; F323-F339 AromaticContact CG-CE1 3.77Å; F323-F339 HydrophobicContact CG-CE1 3.77Å; F323-F339 HydrophobicContact CG-CE2 4.13Å; F323-F339 AromaticContact CG-CZ 3.37Å; F323-F339 HydrophobicContact CG-CZ 3.37Å; F323-F339 AromaticContact CZ-CE2 3.92Å; F323-F339 HydrophobicContact CZ-CE2 3.92Å; F323-F339 AromaticContact CZ-CZ 3.75Å; F323-F339 HydrophobicContact CZ-CZ 3.75Å; L329-F339 HydrophobicContact CD2-CB 4.08Å; L329-F339 HydrophobicContact CD2-CD1 3.72Å; L329-F339 HydrophobicContact CD2-CD2 4.13Å; L329-F339 HydrophobicContact CD2-CE1 4.16Å; L329-F339 HydrophobicContact CD2-CG 3.71Å; I334-F339 HydrophobicContact CG2-CB 3.86Å; I334-F339 HydrophobicContact CG2-CD2 4.05Å; I334-F339 HydrophobicContact CG2-CG 4.29Å; D335-F339 PolarHBondContact O-N 3.25Å; P336-F339 PolarHBondContact O-N 3.24Å; F339-R341 VanDerWaalsContact C-N 3.29Å; F339-R341 PolarHBondContact O-N 3.48Å; F339-Y342 PolarHBondContact O-N 3.29Å; F339-L343 HydrophobicContact CD1-CD1 3.66Å; F339-L343 HydrophobicContact CE1-CD1 3.3Å; F339-L343 HydrophobicContact CE1-CG 4.25Å; F339-L343 HydrophobicContact CE2-CD1 4.36Å; F339-L343 HydrophobicContact CG-CD1 4.34Å; F339-L343 HydrophobicContact CZ-CD1 3.67Å; F339-L343 HydrophobicContact CZ-CD2 4.49Å; F339-L343 HydrophobicContact CZ-CG 4.22Å; F339-L343 WeakPolarHBondContact O-CG 3.11Å; F339-L343 PolarHBondContact O-N 3.24Å; F339-I445 HydrophobicContact CB-CG2 4.41Å; F339-I445 HydrophobicContact CD2-CB 4.27Å; F339-I445 HydrophobicContact CD2-CD1 4.07Å; F339-I445 HydrophobicContact CD2-CG2 3.89Å; F339-I445 HydrophobicContact CE2-CD1 4Å
340	V	98.6	Very high	98.6	Very high	10 Å²	10	43.4 Å²	43.4	6%	0.061	23%	0.225	C	C	.	.	H	α-helix	trans	-59.6	-41.5	176.2	170	0	0	0	0	111	L275 G279 V280 T316 Y320 P336 L343 L344	L275-V340 HydrophobicContact CD1-CG2 4.37Å; L275-V340 HydrophobicContact CD2-CG2 4.3Å; G279-V340 WeakPolarHBondContact O-CG1 3.42Å; V280-V340 HydrophobicContact CG1-CG1 3.96Å; T316-V340 HydrophobicContact CG2-CG1 4.39Å; Y320-V340 HydrophobicContact CD2-CG2 3.8Å; Y320-V340 HydrophobicContact CE2-CG2 4.03Å; Y320-V340 HydrophobicContact CG-CG2 4.5Å; P336-V340 WeakPolarHBondContact O-CG2 3.11Å; P336-V340 PolarHBondContact O-N 3.46Å; V340-L343 PolarHBondContact O-N 3.49Å; V340-L344 HydrophobicContact CG1-CD1 3.97Å; V340-L344 HydrophobicContact CG1-CG 4.34Å; V340-L344 WeakPolarHBondContact O-CB 3.47Å; V340-L344 WeakPolarHBondContact O-CG 3.14Å; V340-L344 PolarHBondContact O-N 2.98Å
341	R	98.5	Very high	98.6	Very high	99 Å²	99	39 Å²	39	37%	0.374	21%	0.207	S	C	.	.	H	α-helix	trans	-63.4	-46.5	179.2	-168.7	-178.5	-45.5	-166.3	11.1	112.1	H337 V338 F339 L344 R345 D442	H337-R341 VanDerWaalsContact O-CB 3.23Å; H337-R341 WeakPolarHBondContact O-CB 3.38Å; H337-R341 PolarHBondContact O-N 3.12Å; H337-R341 VanDerWaalsContact O-N 3.09Å; V338-R341 PolarHBondContact O-N 3.08Å; F339-R341 VanDerWaalsContact C-N 3.29Å; F339-R341 PolarHBondContact O-N 3.48Å; R341-L344 PolarHBondContact O-N 3.18Å; R341-R345 VanDerWaalsContact O-CG 3.32Å; R341-R345 WeakPolarHBondContact O-CG 3.3Å; R341-R345 PolarHBondContact O-N 3.05Å; R341-D442 WeakPolarHBondContact CD-O 3.31Å; R341-D442 IonicContact CZ-OD2 2.67Å; R341-D442 IonicContact NH1-OD2 2.83Å; R341-D442 PolarHBondContact NH1-OD2 3.1Å
342	Y	98.9	Very high	98.6	Very high	3 Å²	3	40.7 Å²	40.7	1%	0.012	23%	0.227	C	C	.	.	H	α-helix	trans	-59.4	-46.7	174.9	175	-93.3	0	0	0	111.4	V338 F339 L344 R345 V346 F392 A434 I437 L438 C443 I445	V338-Y342 WeakPolarHBondContact O-CB 3.48Å; V338-Y342 PolarHBondContact O-N 3.36Å; F339-Y342 PolarHBondContact O-N 3.29Å; Y342-L344 PolarHBondContact O-N 2.94Å; Y342-R345 WeakPolarHBondContact O-CA 3.42Å; Y342-R345 WeakPolarHBondContact O-CB 3.49Å; Y342-R345 PolarHBondContact O-N 3.45Å; Y342-R345 VanDerWaalsContact O-N 3.08Å; Y342-V346 HydrophobicContact CD1-CG2 4.06Å; Y342-V346 HydrophobicContact CE1-CG2 3.43Å; Y342-V346 VanDerWaalsContact CE1-CG2 3.43Å; Y342-V346 HydrophobicContact CE2-CG2 4.03Å; Y342-V346 VanDerWaalsContact CZ-CG2 3.41Å; Y342-V346 PolarHBondContact O-N 2.87Å; Y342-F392 HydrophobicContact CE1-CD2 4.39Å; Y342-F392 AromaticContact CE1-CE2 3.47Å; Y342-F392 HydrophobicContact CE1-CE2 3.47Å; Y342-F392 VanDerWaalsContact CE1-CE2 3.47Å; Y342-F392 HydrophobicContact CE1-CZ 4.21Å; Y342-F392 AromaticContact CZ-CE2 3.6Å; Y342-F392 AromaticContact CZ-CZ 3.86Å; Y342-F392 VanDerWaalsContact OH-CE2 3.3Å; Y342-F392 WeakPolarHBondContact OH-CE2 3.35Å; Y342-F392 WeakPolarHBondContact OH-CZ 3.23Å; Y342-A434 PolarHBondContact OH-O 3.05Å; Y342-I437 HydrophobicContact CD2-CB 4.45Å; Y342-I437 HydrophobicContact CD2-CG2 3.7Å; Y342-I437 HydrophobicContact CE2-CB 3.94Å; Y342-I437 HydrophobicContact CE2-CG2 3.65Å; Y342-L438 HydrophobicContact CD2-CD2 3.62Å; Y342-L438 HydrophobicContact CD2-CG 4.23Å; Y342-L438 HydrophobicContact CE2-CB 4.45Å; Y342-L438 HydrophobicContact CE2-CD2 3.38Å; Y342-L438 HydrophobicContact CE2-CG 3.6Å; Y342-L438 HydrophobicContact CG-CD2 4.4Å; Y342-C443 HydrophobicContact CD2-CB 4.26Å; Y342-C443 VanDerWaalsContact CD2-O 3.29Å; Y342-C443 WeakPolarHBondContact CD2-O 3.45Å; Y342-I445 VanDerWaalsContact CB-CG2 3.49Å; Y342-I445 HydrophobicContact CD1-CD1 4.01Å; Y342-I445 HydrophobicContact CD1-CG1 4.48Å; Y342-I445 HydrophobicContact CD1-CG2 4.17Å; Y342-I445 HydrophobicContact CE1-CD1 4.2Å; Y342-I445 HydrophobicContact CG-CG2 3.84Å
343	L	98.9	Very high	98.6	Very high	5 Å²	5	45.7 Å²	45.7	3%	0.026	25%	0.254	C	S	.	.	H	α-helix	trans	-60.4	-45.2	178.5	-77.2	171.1	0	0	0	112.3	T316 A319 F339 V340 R345 V346 E347	T316-L343 HydrophobicContact CG2-CB 4.01Å; T316-L343 HydrophobicContact CG2-CD1 4.43Å; A319-L343 HydrophobicContact CB-CD1 3.64Å; A319-L343 HydrophobicContact CB-CD2 3.63Å; A319-L343 HydrophobicContact CB-CG 4.31Å; F339-L343 HydrophobicContact CD1-CD1 3.66Å; F339-L343 HydrophobicContact CE1-CD1 3.3Å; F339-L343 HydrophobicContact CE1-CG 4.25Å; F339-L343 HydrophobicContact CE2-CD1 4.36Å; F339-L343 HydrophobicContact CG-CD1 4.34Å; F339-L343 HydrophobicContact CZ-CD1 3.67Å; F339-L343 HydrophobicContact CZ-CD2 4.49Å; F339-L343 HydrophobicContact CZ-CG 4.22Å; F339-L343 WeakPolarHBondContact O-CG 3.11Å; F339-L343 PolarHBondContact O-N 3.24Å; V340-L343 PolarHBondContact O-N 3.49Å; L343-R345 PolarHBondContact O-N 2.89Å; L343-V346 PolarHBondContact O-N 2.82Å; L343-E347 VanDerWaalsContact O-CB 3.29Å; L343-E347 WeakPolarHBondContact O-CB 3.38Å; L343-E347 PolarHBondContact O-N 3.46Å
344	L	98.7	Very high	98.6	Very high	59 Å²	59	42.1 Å²	42.1	31%	0.309	23%	0.23	S	C	.	.	H	α-helix	trans	-60	-35	174.6	-77.3	173.7	0	0	0	112	V280 T316 V340 R341 Y342 S348	V280-L344 HydrophobicContact CG1-CD1 4.12Å; V280-L344 HydrophobicContact CG1-CD2 3.95Å; V280-L344 HydrophobicContact CG1-CG 4.21Å; T316-L344 HydrophobicContact CG2-CD2 4.34Å; T316-L344 HydrophobicContact CG2-CG 4.29Å; V340-L344 HydrophobicContact CG1-CD1 3.97Å; V340-L344 HydrophobicContact CG1-CG 4.34Å; V340-L344 WeakPolarHBondContact O-CB 3.47Å; V340-L344 WeakPolarHBondContact O-CG 3.14Å; V340-L344 PolarHBondContact O-N 2.98Å; R341-L344 PolarHBondContact O-N 3.18Å; Y342-L344 PolarHBondContact O-N 2.94Å; L344-S348 VanDerWaalsContact O-CB 3.28Å; L344-S348 WeakPolarHBondContact O-CB 3.3Å; L344-S348 PolarHBondContact O-N 3.48Å; L344-S348 PolarHBondContact O-OG 2.96Å
345	R	98.8	Very high	98.6	Very high	83 Å²	83	42.6 Å²	42.6	31%	0.313	23%	0.234	S	C	.	.	H	α-helix	trans	-71	-40.2	175.4	-68.9	-59.4	-58.9	108	13.4	112.6	R341 Y342 L343 S348 T349 I437 E440	R341-R345 VanDerWaalsContact O-CG 3.32Å; R341-R345 WeakPolarHBondContact O-CG 3.3Å; R341-R345 PolarHBondContact O-N 3.05Å; Y342-R345 WeakPolarHBondContact O-CA 3.42Å; Y342-R345 WeakPolarHBondContact O-CB 3.49Å; Y342-R345 PolarHBondContact O-N 3.45Å; Y342-R345 VanDerWaalsContact O-N 3.08Å; L343-R345 PolarHBondContact O-N 2.89Å; R345-S348 WeakPolarHBondContact CA-OG 3.24Å; R345-S348 PolarHBondContact NH1-OG 2.82Å; R345-S348 PolarHBondContact O-OG 3.27Å; R345-S348 VanDerWaalsContact O-OG 3.13Å; R345-T349 WeakPolarHBondContact O-CB 3.39Å; R345-T349 PolarHBondContact O-N 3.47Å; R345-T349 PolarHBondContact O-OG1 3.4Å; R345-I437 HydrophobicContact CB-CG2 3.5Å; R345-I437 VanDerWaalsContact CB-CG2 3.5Å; R345-I437 HydrophobicContact CG-CG2 4.48Å; R345-E440 WeakPolarHBondContact CG-OE2 3.45Å; R345-E440 IonicContact CZ-OE1 3.98Å; R345-E440 IonicContact CZ-OE2 3.73Å; R345-E440 IonicContact NE-OE1 3.7Å; R345-E440 IonicContact NE-OE2 3.56Å; R345-E440 PolarHBondContact NE-OE2 3.37Å; R345-E440 IonicContact NH2-OE1 3.66Å; R345-E440 PolarHBondContact NH2-OE1 3.28Å; R345-E440 IonicContact NH2-OE2 2.74Å; R345-E440 PolarHBondContact NH2-OE2 2.88Å
346	V	98.9	Very high	98.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.3	-52	171.9	171.2	0	0	0	0	110.7	L315 Y342 L343 S348 T349 Y350 I396 V399 I437	L315-V346 HydrophobicContact CD2-CG1 4.03Å; Y342-V346 HydrophobicContact CD1-CG2 4.06Å; Y342-V346 HydrophobicContact CE1-CG2 3.43Å; Y342-V346 VanDerWaalsContact CE1-CG2 3.43Å; Y342-V346 HydrophobicContact CE2-CG2 4.03Å; Y342-V346 VanDerWaalsContact CZ-CG2 3.41Å; Y342-V346 PolarHBondContact O-N 2.87Å; L343-V346 PolarHBondContact O-N 2.82Å; V346-S348 VanDerWaalsContact C-N 3.33Å; V346-S348 PolarHBondContact O-N 2.9Å; V346-T349 WeakPolarHBondContact O-CA 3.28Å; V346-T349 WeakPolarHBondContact O-CB 3.45Å; V346-T349 PolarHBondContact O-N 2.97Å; V346-Y350 HydrophobicContact CG1-CD2 4.21Å; V346-Y350 HydrophobicContact CG1-CE2 3.84Å; V346-Y350 WeakPolarHBondContact O-CD2 3.32Å; V346-Y350 PolarHBondContact O-N 3.41Å; V346-Y350 VanDerWaalsContact O-N 3.15Å; V346-I396 HydrophobicContact CG1-CG2 4.29Å; V346-I396 HydrophobicContact CG2-CG2 4.46Å; V346-V399 HydrophobicContact CG1-CB 4.42Å; V346-V399 HydrophobicContact CG1-CG2 4.01Å; V346-I437 HydrophobicContact CG2-CD1 4.03Å; V346-I437 HydrophobicContact CG2-CG2 4.47Å
347	E	98.9	Very high	98.7	Very high	12 Å²	12	38.6 Å²	38.6	6%	0.056	21%	0.208	C	C	.	.	H	α-helix	trans	-58.9	-41.8	-178.8	-174.6	170.1	-109.5	0	0	112.2	H313 L315 T316 L343 T349 Y350	H313-E347 VanDerWaalsContact CA-OE1 3.25Å; H313-E347 WeakPolarHBondContact CA-OE1 3.1Å; H313-E347 IonicContact CE1-OE2 3.67Å; H313-E347 IonicContact CG-OE2 3.24Å; H313-E347 IonicContact ND1-OE2 2.65Å; H313-E347 PolarHBondContact ND1-OE2 2.78Å; L315-E347 HydrophobicContact CB-CG 4.33Å; L315-E347 WeakPolarHBondContact CB-OE1 3.48Å; L315-E347 HydrophobicContact CD2-CB 4.28Å; L315-E347 PolarHBondContact N-OE1 3.19Å; T316-E347 PolarHBondContact N-OE1 3.47Å; T316-E347 VanDerWaalsContact OG1-CD 3.28Å; T316-E347 PolarHBondContact OG1-OE2 3.07Å; L343-E347 VanDerWaalsContact O-CB 3.29Å; L343-E347 WeakPolarHBondContact O-CB 3.38Å; L343-E347 PolarHBondContact O-N 3.46Å; E347-T349 PolarHBondContact O-N 3.27Å; E347-Y350 WeakPolarHBondContact O-CB 3.21Å; E347-Y350 PolarHBondContact O-N 3.2Å
348	S	98.5	Very high	98.7	Very high	77 Å²	77	35.8 Å²	35.8	54%	0.538	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-11.6	174.9	55.5	0	0	0	0	114.7	L344 R345 V346	L344-S348 VanDerWaalsContact O-CB 3.28Å; L344-S348 WeakPolarHBondContact O-CB 3.3Å; L344-S348 PolarHBondContact O-N 3.48Å; L344-S348 PolarHBondContact O-OG 2.96Å; R345-S348 WeakPolarHBondContact CA-OG 3.24Å; R345-S348 PolarHBondContact NH1-OG 2.82Å; R345-S348 PolarHBondContact O-OG 3.27Å; R345-S348 VanDerWaalsContact O-OG 3.13Å; V346-S348 VanDerWaalsContact C-N 3.33Å; V346-S348 PolarHBondContact O-N 2.9Å
349	T	98.9	Very high	98.7	Very high	15 Å²	15	35.1 Å²	35.1	9%	0.092	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-17.3	173.5	-53	0	0	0	0	111.3	R345 V346 E347 H351 V399 D400 M433 I437	R345-T349 WeakPolarHBondContact O-CB 3.39Å; R345-T349 PolarHBondContact O-N 3.47Å; R345-T349 PolarHBondContact O-OG1 3.4Å; V346-T349 WeakPolarHBondContact O-CA 3.28Å; V346-T349 WeakPolarHBondContact O-CB 3.45Å; V346-T349 PolarHBondContact O-N 2.97Å; E347-T349 PolarHBondContact O-N 3.27Å; T349-H351 PolarHBondContact O-CD2 3.5Å; T349-V399 HydrophobicContact CG2-CG2 3.82Å; T349-D400 HydrophobicContact CG2-CB 3.88Å; T349-D400 WeakPolarHBondContact O-CA 3.45Å; T349-D400 PolarHBondContact O-N 2.93Å; T349-M433 HydrophobicContact CG2-CE 3.72Å; T349-I437 HydrophobicContact CG2-CD1 4.46Å
350	Y	98.9	Very high	98.8	Very high	9 Å²	9	36.2 Å²	36.2	4%	0.035	20%	0.197	C	C	.	.	S	Bend	trans	-68.3	140.5	161	-80.6	-87.8	0	0	0	110.5	L315 V346 E347 A352 N358 A362 A395 D398 V399	L315-Y350 HydrophobicContact CD2-CD2 4.1Å; L315-Y350 HydrophobicContact CD2-CE2 3.9Å; V346-Y350 HydrophobicContact CG1-CD2 4.21Å; V346-Y350 HydrophobicContact CG1-CE2 3.84Å; V346-Y350 WeakPolarHBondContact O-CD2 3.32Å; V346-Y350 PolarHBondContact O-N 3.41Å; V346-Y350 VanDerWaalsContact O-N 3.15Å; E347-Y350 WeakPolarHBondContact O-CB 3.21Å; E347-Y350 PolarHBondContact O-N 3.2Å; Y350-A352 PolarHBondContact O-N 3.02Å; Y350-N358 VanDerWaalsContact CD1-C 3.46Å; Y350-A362 HydrophobicContact CE1-CB 3.94Å; Y350-A362 HydrophobicContact CE2-CB 3.89Å; Y350-A362 VanDerWaalsContact CZ-CB 3.46Å; Y350-A362 WeakPolarHBondContact OH-CB 3.39Å; Y350-A395 PolarHBondContact OH-O 3.32Å; Y350-D398 HydrophobicContact CE1-CB 3.65Å; Y350-D398 WeakPolarHBondContact CE1-O 3.43Å; Y350-D398 PolarHBondContact OH-N 2.68Å; Y350-V399 HydrophobicContact CD2-CB 4.24Å; Y350-V399 HydrophobicContact CD2-CG2 4.02Å; Y350-V399 HydrophobicContact CE2-CB 3.72Å; Y350-V399 HydrophobicContact CE2-CG2 3.96Å; Y350-V399 VanDerWaalsContact CZ-CA 3.49Å; Y350-V399 VanDerWaalsContact CZ-N 3.34Å; Y350-V399 PolarHBondContact OH-N 3.39Å
351	H	98.8	Very high	98.8	Very high	60 Å²	60	35.8 Å²	35.8	28%	0.278	19%	0.194	S	C	.	.			trans	-89.9	108.8	-175	-65.4	-176.9	0	0	0	109.9	T349 D353 V354 D400	T349-H351 PolarHBondContact O-CD2 3.5Å; H351-D353 PolarHBondContact O-N 2.88Å; H351-V354 HydrophobicContact CB-CB 4.2Å; H351-V354 HydrophobicContact CB-CG2 3.64Å; H351-V354 WeakPolarHBondContact O-CB 3.32Å; H351-V354 PolarHBondContact O-N 2.89Å; H351-V354 VanDerWaalsContact O-N 3.1Å; H351-D400 IonicContact CD2-OD1 2.79Å; H351-D400 IonicContact CE1-OD1 2.74Å; H351-D400 IonicContact NE2-OD1 3.6Å; H351-D400 PolarHBondContact NE2-OD1 2.77Å
352	A	98.3	Very high	98.8	Very high	97 Å²	97	31 Å²	31	80%	0.802	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-18	-177.8	0	0	0	0	0	113.9	Y350	Y350-A352 PolarHBondContact O-N 3.02Å
353	D	98.5	Very high	98.8	Very high	118 Å²	118	30.9 Å²	30.9	63%	0.631	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-16.9	175.3	63.2	-61.4	0	0	0	113.5	H351 R539	H351-D353 PolarHBondContact O-N 2.88Å; D353-R539 PolarHBondContact O-NH1 3.34Å
354	V	98.8	Very high	98.8	Very high	6 Å²	6	30.8 Å²	30.8	4%	0.036	18%	0.175	C	C	.	.	S	Bend	trans	-74.2	122.2	172.4	173.7	0	0	0	0	108.9	H351 H357 N358 E536	H351-V354 HydrophobicContact CB-CB 4.2Å; H351-V354 HydrophobicContact CB-CG2 3.64Å; H351-V354 WeakPolarHBondContact O-CB 3.32Å; H351-V354 PolarHBondContact O-N 2.89Å; H351-V354 VanDerWaalsContact O-N 3.1Å; V354-H357 HydrophobicContact CG1-CB 4.19Å; V354-N358 PolarHBondContact O-ND2 3.31Å; V354-E536 HydrophobicContact CG1-CG 4.48Å; V354-E536 WeakPolarHBondContact CG1-OE2 3.5Å
355	P	98.8	Very high	98.8	Very high	19 Å²	19	28 Å²	28	12%	0.123	16%	0.16	C	C	.	.	S	Bend	trans	-64.5	-43.1	-170	-25.7	35.1	0	0	0	115.8	N358 R532 E535 E536	P355-N358 PolarHBondContact O-ND2 2.86Å; P355-R532 HydrophobicContact CB-CB 4.45Å; P355-R532 WeakPolarHBondContact CB-O 3.24Å; P355-R532 WeakPolarHBondContact O-CB 3.16Å; P355-R532 WeakPolarHBondContact O-CD 3.01Å; P355-E535 HydrophobicContact CB-CB 4.31Å; P355-E535 HydrophobicContact CB-CG 4.18Å; P355-E535 HydrophobicContact CG-CB 4.36Å; P355-E535 HydrophobicContact CG-CG 3.82Å; P355-E536 HydrophobicContact CB-CB 4.23Å; P355-E536 HydrophobicContact CG-CB 4.12Å
356	Y	98.9	Very high	98.8	Very high	10 Å²	10	24 Å²	24	4%	0.039	15%	0.145	C	C	.	.	S	Bend	trans	-105.3	-62	-174	-178	-86.1	0	0	0	111.7	N358 H361 N518 W529 R532 L533 E536	Y356-N358 PolarHBondContact O-N 3.03Å; Y356-H361 AromaticContact CE1-CD2 3.92Å; Y356-H361 AromaticContact CE1-CE1 3.57Å; Y356-H361 AromaticContact CE1-CG 3.81Å; Y356-H361 AromaticContact CE1-ND1 3.59Å; Y356-H361 AromaticContact CE1-NE2 3.77Å; Y356-H361 AromaticContact CZ-CE1 3.66Å; Y356-H361 AromaticContact CZ-ND1 3.55Å; Y356-H361 WeakPolarHBondContact O-CB 3.17Å; Y356-H361 PolarHBondContact OH-CE1 3.24Å; Y356-H361 PolarHBondContact OH-ND1 3.18Å; Y356-N518 PolarHBondContact OH-OD1 3.5Å; Y356-W529 AromaticContact CD2-CE3 3.65Å; Y356-W529 HydrophobicContact CD2-CE3 3.65Å; Y356-W529 HydrophobicContact CD2-CZ3 4.17Å; Y356-W529 HydrophobicContact CE2-CB 4.37Å; Y356-W529 HydrophobicContact CE2-CD2 4.28Å; Y356-W529 AromaticContact CE2-CE3 3.56Å; Y356-W529 HydrophobicContact CE2-CE3 3.56Å; Y356-W529 HydrophobicContact CE2-CZ3 4.24Å; Y356-R532 HydrophobicContact CD2-CB 4.29Å; Y356-L533 HydrophobicContact CD1-CD1 3.95Å; Y356-L533 HydrophobicContact CD2-CB 3.63Å; Y356-L533 HydrophobicContact CD2-CD1 4.12Å; Y356-L533 HydrophobicContact CD2-CG 4.4Å; Y356-L533 HydrophobicContact CE1-CD1 4.34Å; Y356-L533 HydrophobicContact CE2-CB 4.13Å; Y356-L533 HydrophobicContact CE2-CD1 4.48Å; Y356-L533 HydrophobicContact CG-CB 4.09Å; Y356-L533 HydrophobicContact CG-CD1 3.84Å; Y356-E536 WeakPolarHBondContact CA-OE2 3.47Å; Y356-E536 VanDerWaalsContact CB-OE2 3.31Å; Y356-E536 WeakPolarHBondContact CB-OE2 3.44Å; Y356-E536 PolarHBondContact N-OE2 3.37Å
357	H	98.9	Very high	98.8	Very high	33 Å²	33	24 Å²	24	15%	0.153	15%	0.146	C	C	.	.	S	Bend	trans	-77.5	61.2	-174.1	-57	96.8	0	0	0	112.1	V354 D398 H401 E536	V354-H357 HydrophobicContact CG1-CB 4.19Å; H357-D398 IonicContact CD2-OD2 3.76Å; H357-D398 PolarHBondContact CD2-OD2 3.14Å; H357-D398 VanDerWaalsContact CD2-OD2 3.32Å; H357-H401 HydrophobicContact CB-CB 3.79Å; H357-H401 VanDerWaalsContact CB-CG 3.49Å; H357-H401 WeakPolarHBondContact CB-ND1 3.49Å; H357-H401 AromaticContact CE1-CE1 3.98Å; H357-H401 AromaticContact CG-CE1 3.64Å; H357-H401 AromaticContact CG-CG 3.91Å; H357-H401 AromaticContact CG-ND1 3.65Å; H357-H401 AromaticContact CG-NE2 3.9Å; H357-H401 AromaticContact ND1-CE1 3.38Å; H357-H401 PolarHBondContact ND1-CE1 3.01Å; H357-H401 AromaticContact ND1-ND1 3.73Å; H357-H401 AromaticContact ND1-NE2 3.87Å; H357-E536 IonicContact CE1-OE1 2.88Å; H357-E536 IonicContact CG-OE1 3.49Å; H357-E536 PolarHBondContact N-OE2 3.41Å; H357-E536 VanDerWaalsContact N-OE2 3.16Å; H357-E536 IonicContact ND1-OE1 3.65Å; H357-E536 PolarHBondContact ND1-OE1 3.07Å; H357-E536 IonicContact ND1-OE2 2.99Å
358	N	98.8	Very high	98.8	Very high	5 Å²	5	23.5 Å²	23.5	3%	0.027	14%	0.143	C	C	.	.	S	Bend	trans	-119.1	-177.2	176.3	59.6	49.5	0	0	0	111.1	Y350 V354 P355 Y356 M360 H361 A362	Y350-N358 VanDerWaalsContact CD1-C 3.46Å; V354-N358 PolarHBondContact O-ND2 3.31Å; P355-N358 PolarHBondContact O-ND2 2.86Å; Y356-N358 PolarHBondContact O-N 3.03Å; N358-M360 PolarHBondContact O-N 3.41Å; N358-M360 VanDerWaalsContact O-N 3.15Å; N358-M360 WeakPolarHBondContact OD1-CB 3.31Å; N358-M360 PolarHBondContact OD1-N 3.48Å; N358-M360 VanDerWaalsContact OD1-N 3.13Å; N358-H361 WeakPolarHBondContact O-CB 3.18Å; N358-H361 PolarHBondContact O-N 3.49Å; N358-A362 PolarHBondContact O-N 3.09Å
359	S	98.9	Very high	98.8	Very high	15 Å²	15	19.8 Å²	19.8	11%	0.105	12%	0.117	C	C	.	.	H	α-helix	trans	-61.1	-25.3	-175.6	56.2	0	0	0	0	114.4	A363	S359-A363 WeakPolarHBondContact O-CB 3.36Å; S359-A363 PolarHBondContact O-N 2.98Å
360	M	98.9	Very high	98.8	Very high	26 Å²	26	19.1 Å²	19.1	13%	0.128	11%	0.113	C	C	.	.	H	α-helix	trans	-66.9	-38.6	173.1	-73.2	175.2	-96.7	0	0	111.4	I303 F304 D307 N358 A363 D364 W529 R532	I303-M360 HydrophobicContact CG2-CB 4.26Å; I303-M360 WeakPolarHBondContact CG2-O 3.29Å; F304-M360 HydrophobicContact CD1-SD 4.22Å; D307-M360 HydrophobicContact CB-CG 3.72Å; D307-M360 HydrophobicContact CB-SD 3.87Å; D307-M360 VanDerWaalsContact CG-CG 3.46Å; N358-M360 PolarHBondContact O-N 3.41Å; N358-M360 VanDerWaalsContact O-N 3.15Å; N358-M360 WeakPolarHBondContact OD1-CB 3.31Å; N358-M360 PolarHBondContact OD1-N 3.48Å; N358-M360 VanDerWaalsContact OD1-N 3.13Å; M360-A363 PolarHBondContact O-N 3.14Å; M360-D364 PolarHBondContact O-N 3.47Å; M360-W529 HydrophobicContact CB-CH2 4.08Å; M360-R532 PolarHBondContact SD-NH1 2.91Å; M360-R532 PolarHBondContact SD-NH2 3.04Å
361	H	98.9	Very high	98.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-66.3	-45.5	177.4	173	61.2	0	0	0	110.1	Y356 N358 A363 D364 V365 H397 D398 D515 W529	Y356-H361 AromaticContact CE1-CD2 3.92Å; Y356-H361 AromaticContact CE1-CE1 3.57Å; Y356-H361 AromaticContact CE1-CG 3.81Å; Y356-H361 AromaticContact CE1-ND1 3.59Å; Y356-H361 AromaticContact CE1-NE2 3.77Å; Y356-H361 AromaticContact CZ-CE1 3.66Å; Y356-H361 AromaticContact CZ-ND1 3.55Å; Y356-H361 WeakPolarHBondContact O-CB 3.17Å; Y356-H361 PolarHBondContact OH-CE1 3.24Å; Y356-H361 PolarHBondContact OH-ND1 3.18Å; N358-H361 WeakPolarHBondContact O-CB 3.18Å; N358-H361 PolarHBondContact O-N 3.49Å; H361-A363 VanDerWaalsContact C-N 3.26Å; H361-A363 PolarHBondContact O-N 3.02Å; H361-D364 WeakPolarHBondContact O-CB 3.23Å; H361-D364 PolarHBondContact O-N 3.38Å; H361-V365 WeakPolarHBondContact CE1-CG2 3.39Å; H361-V365 WeakPolarHBondContact O-CG2 3.33Å; H361-V365 PolarHBondContact O-N 3.08Å; H361-H397 AromaticContact CD2-CE1 3.97Å; H361-H397 AromaticContact CD2-NE2 3.84Å; H361-H397 AromaticContact NE2-CE1 3.79Å; H361-H397 AromaticContact NE2-NE2 3.33Å; H361-H397 PolarHBondContact NE2-NE2 3.11Å; H361-D398 IonicContact CD2-OD2 2.66Å; H361-D398 PolarHBondContact CD2-OD2 3.1Å; H361-D398 IonicContact NE2-OD2 3.84Å; H361-D398 PolarHBondContact NE2-OD2 3.33Å; H361-D515 IonicContact CE1-OD1 3.54Å; H361-D515 PolarHBondContact CE1-OD1 3.11Å; H361-D515 IonicContact NE2-OD1 2.73Å; H361-D515 PolarHBondContact NE2-OD1 3.32Å; H361-W529 VanDerWaalsContact CA-CH2 3.48Å; H361-W529 HydrophobicContact CB-CH2 3.88Å; H361-W529 HydrophobicContact CB-CZ3 3.9Å
362	A	98.9	Very high	98.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-55.8	-39.8	172.8	0	0	0	0	0	113	L315 Y350 N358 L366	L315-A362 HydrophobicContact CD1-CB 3.97Å; L315-A362 HydrophobicContact CD2-CB 4.09Å; Y350-A362 HydrophobicContact CE1-CB 3.94Å; Y350-A362 HydrophobicContact CE2-CB 3.89Å; Y350-A362 VanDerWaalsContact CZ-CB 3.46Å; Y350-A362 WeakPolarHBondContact OH-CB 3.39Å; N358-A362 PolarHBondContact O-N 3.09Å; A362-L366 WeakPolarHBondContact O-CB 3.43Å; A362-L366 PolarHBondContact O-N 3.23Å
363	A	98.9	Very high	98.8	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-66.4	-38.5	175.7	0	0	0	0	0	112.8	I303 A314 L315 V318 S359 M360 H361 Q367	I303-A363 HydrophobicContact CD1-CB 4.33Å; I303-A363 HydrophobicContact CG2-CB 3.92Å; A314-A363 HydrophobicContact CB-CB 4.03Å; L315-A363 HydrophobicContact CB-CB 4.28Å; L315-A363 HydrophobicContact CD1-CB 4.46Å; V318-A363 HydrophobicContact CG2-CB 4.5Å; S359-A363 WeakPolarHBondContact O-CB 3.36Å; S359-A363 PolarHBondContact O-N 2.98Å; M360-A363 PolarHBondContact O-N 3.14Å; H361-A363 VanDerWaalsContact C-N 3.26Å; H361-A363 PolarHBondContact O-N 3.02Å; A363-Q367 WeakPolarHBondContact O-CB 3.48Å; A363-Q367 PolarHBondContact O-N 2.83Å
364	D	98.9	Very high	98.7	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.011	6%	0.059	C	C	.	.	H	α-helix	trans	-65.8	-48.2	175.3	-171.7	36	0	0	0	111.4	I303 M360 H361 L366 Q367 T368 N518 K521 W529	I303-D364 HydrophobicContact CG1-CB 4.1Å; M360-D364 PolarHBondContact O-N 3.47Å; H361-D364 WeakPolarHBondContact O-CB 3.23Å; H361-D364 PolarHBondContact O-N 3.38Å; D364-L366 VanDerWaalsContact C-N 3.33Å; D364-L366 PolarHBondContact O-N 3.5Å; D364-Q367 PolarHBondContact O-N 3.1Å; D364-T368 WeakPolarHBondContact O-CB 3.44Å; D364-T368 PolarHBondContact O-N 3.43Å; D364-T368 PolarHBondContact O-OG1 3.04Å; D364-N518 PolarHBondContact OD2-ND2 3.03Å; D364-N518 VanDerWaalsContact OD2-ND2 3.14Å; D364-K521 VanDerWaalsContact CG-NZ 3.31Å; D364-K521 IonicContact OD1-NZ 3.68Å; D364-K521 PolarHBondContact OD1-NZ 3.44Å; D364-K521 IonicContact OD2-NZ 3.97Å; D364-K521 PolarHBondContact OD2-NZ 3.1Å; D364-W529 HydrophobicContact CB-CZ2 3.79Å; D364-W529 PolarHBondContact OD2-NE1 2.96Å
365	V	98.9	Very high	98.5	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-62.8	-41.8	177.6	-179.2	0	0	0	0	110.7	H361 T368 A369 A394 I511 A514 D515	H361-V365 WeakPolarHBondContact CE1-CG2 3.39Å; H361-V365 WeakPolarHBondContact O-CG2 3.33Å; H361-V365 PolarHBondContact O-N 3.08Å; V365-T368 PolarHBondContact O-N 2.69Å; V365-A369 WeakPolarHBondContact O-CB 3.48Å; V365-A369 PolarHBondContact O-N 3.29Å; V365-A394 HydrophobicContact CG1-CB 4.09Å; V365-I511 HydrophobicContact CG1-CG1 4.4Å; V365-A514 HydrophobicContact CG1-CB 3.87Å; V365-D515 HydrophobicContact CG1-CB 4.47Å; V365-D515 HydrophobicContact CG2-CB 4.45Å
366	L	98.9	Very high	98.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60.3	-50.6	175.1	172.6	61.6	0	0	0	112.9	L315 V318 A319 I322 A362 D364 T368 A369 H370 L391 A394 A395	L315-L366 HydrophobicContact CD1-CD2 4.13Å; V318-L366 HydrophobicContact CG1-CD2 4.33Å; A319-L366 HydrophobicContact CB-CD2 3.49Å; A319-L366 VanDerWaalsContact CB-CD2 3.49Å; I322-L366 HydrophobicContact CD1-CD1 4.43Å; I322-L366 HydrophobicContact CD1-CD2 4.39Å; I322-L366 HydrophobicContact CD1-CG 3.9Å; A362-L366 WeakPolarHBondContact O-CB 3.43Å; A362-L366 PolarHBondContact O-N 3.23Å; D364-L366 VanDerWaalsContact C-N 3.33Å; D364-L366 PolarHBondContact O-N 3.5Å; L366-T368 VanDerWaalsContact C-N 3.29Å; L366-T368 PolarHBondContact O-N 3.49Å; L366-A369 PolarHBondContact O-N 3.3Å; L366-H370 WeakPolarHBondContact O-CB 3.41Å; L366-H370 PolarHBondContact O-N 2.84Å; L366-L391 HydrophobicContact CD1-CB 3.89Å; L366-L391 HydrophobicContact CD1-CD2 3.84Å; L366-L391 HydrophobicContact CD1-CG 4.47Å; L366-L391 VanDerWaalsContact CD1-O 3.22Å; L366-L391 WeakPolarHBondContact CD1-O 3.38Å; L366-A394 HydrophobicContact CB-CB 4.29Å; L366-A394 HydrophobicContact CD1-CB 4.36Å; L366-A395 HydrophobicContact CD2-CB 4.15Å
367	Q	98.9	Very high	97.8	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-66.2	-36.2	179.3	-171.4	-83.3	-35.1	0	0	111.2	L296 E298 V301 I303 V318 I322 A363 D364 H370 F371	L296-Q367 PolarHBondContact O-NE2 3.45Å; E298-Q367 PolarHBondContact O-NE2 3.24Å; V301-Q367 HydrophobicContact CB-CG 4.42Å; V301-Q367 HydrophobicContact CG2-CG 4.04Å; V301-Q367 VanDerWaalsContact CG2-NE2 3.32Å; I303-Q367 HydrophobicContact CD1-CB 4.35Å; V318-Q367 HydrophobicContact CG1-CB 3.97Å; I322-Q367 HydrophobicContact CD1-CB 4.36Å; A363-Q367 WeakPolarHBondContact O-CB 3.48Å; A363-Q367 PolarHBondContact O-N 2.83Å; D364-Q367 PolarHBondContact O-N 3.1Å; Q367-H370 VanDerWaalsContact O-CB 3.32Å; Q367-H370 WeakPolarHBondContact O-CB 3.42Å; Q367-H370 PolarHBondContact O-N 3.29Å; Q367-F371 PolarHBondContact O-N 3.05Å
368	T	98.9	Very high	97.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-67.2	-44.4	177.3	-56.1	0	0	0	0	111.4	W299 D364 V365 L366 H370 F371 L372 A514 K521	W299-T368 HydrophobicContact CE3-CG2 4.26Å; W299-T368 HydrophobicContact CH2-CG2 3.79Å; W299-T368 HydrophobicContact CZ3-CG2 3.36Å; D364-T368 WeakPolarHBondContact O-CB 3.44Å; D364-T368 PolarHBondContact O-N 3.43Å; D364-T368 PolarHBondContact O-OG1 3.04Å; V365-T368 PolarHBondContact O-N 2.69Å; L366-T368 VanDerWaalsContact C-N 3.29Å; L366-T368 PolarHBondContact O-N 3.49Å; T368-H370 VanDerWaalsContact C-N 3.27Å; T368-H370 PolarHBondContact O-N 2.83Å; T368-F371 WeakPolarHBondContact O-CB 3.31Å; T368-F371 PolarHBondContact O-N 3.49Å; T368-F371 VanDerWaalsContact O-N 3.13Å; T368-L372 HydrophobicContact CG2-CD1 4.29Å; T368-L372 HydrophobicContact CG2-CG 4.48Å; T368-L372 VanDerWaalsContact O-CG 3.3Å; T368-L372 WeakPolarHBondContact O-CG 3.33Å; T368-L372 PolarHBondContact O-N 3.35Å; T368-A514 HydrophobicContact CG2-CB 3.86Å; T368-K521 WeakPolarHBondContact OG1-CE 3.23Å; T368-K521 PolarHBondContact OG1-NZ 3.38Å
369	A	98.8	Very high	97	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.1	-37.7	173.1	0	0	0	0	0	111.4	V365 L366 F371 L372 L373 A394 A514	V365-A369 WeakPolarHBondContact O-CB 3.48Å; V365-A369 PolarHBondContact O-N 3.29Å; L366-A369 PolarHBondContact O-N 3.3Å; A369-F371 PolarHBondContact O-N 2.88Å; A369-L372 PolarHBondContact O-N 3.33Å; A369-L373 WeakPolarHBondContact O-CG 3.45Å; A369-L373 PolarHBondContact O-N 3.48Å; A369-L373 VanDerWaalsContact O-N 3.11Å; A369-A394 HydrophobicContact CB-CB 4.17Å; A369-A514 HydrophobicContact CB-CB 4.14Å
370	H	98.8	Very high	96.6	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-58.7	-44.2	171.5	170.7	91.1	0	0	0	112.4	L296 D297 I322 R326 L366 Q367 T368 L391	L296-H370 PolarHBondContact O-CD2 2.88Å; D297-H370 IonicContact OD1-NE2 3.8Å; D297-H370 PolarHBondContact OD1-NE2 3.38Å; I322-H370 HydrophobicContact CD1-CB 3.79Å; I322-H370 HydrophobicContact CG1-CB 4.23Å; I322-H370 HydrophobicContact CG2-CB 4.25Å; I322-H370 WeakPolarHBondContact CG2-ND1 3.26Å; R326-H370 PolarHBondContact NE-CE1 2.83Å; R326-H370 VanDerWaalsContact NE-CE1 3.32Å; R326-H370 PolarHBondContact NE-ND1 3.43Å; R326-H370 PolarHBondContact NH2-O 3.36Å; L366-H370 WeakPolarHBondContact O-CB 3.41Å; L366-H370 PolarHBondContact O-N 2.84Å; Q367-H370 VanDerWaalsContact O-CB 3.32Å; Q367-H370 WeakPolarHBondContact O-CB 3.42Å; Q367-H370 PolarHBondContact O-N 3.29Å; T368-H370 VanDerWaalsContact C-N 3.27Å; T368-H370 PolarHBondContact O-N 2.83Å; H370-L391 HydrophobicContact CB-CD2 3.88Å
371	F	98.5	Very high	96.3	Very high	43 Å²	43	29.9 Å²	29.9	19%	0.189	16%	0.158	C	C	.	.	H	α-helix	trans	-63.4	-47.2	175.3	177.8	-90.4	0	0	0	111.9	D297 W299 Q367 T368 A369 L373 Q374 I592	D297-F371 WeakPolarHBondContact O-CD2 3.41Å; D297-F371 VanDerWaalsContact O-CE2 3.3Å; D297-F371 WeakPolarHBondContact O-CE2 3.31Å; W299-F371 HydrophobicContact CB-CD2 4.46Å; W299-F371 HydrophobicContact CB-CE1 4.16Å; W299-F371 HydrophobicContact CB-CE2 4.04Å; W299-F371 HydrophobicContact CB-CZ 3.87Å; W299-F371 AromaticContact CE3-CD1 3.63Å; W299-F371 HydrophobicContact CE3-CD1 3.63Å; W299-F371 AromaticContact CE3-CE1 3.88Å; W299-F371 HydrophobicContact CE3-CE1 3.88Å; W299-F371 HydrophobicContact CE3-CG 4.28Å; W299-F371 HydrophobicContact CZ3-CD1 4.26Å; Q367-F371 PolarHBondContact O-N 3.05Å; T368-F371 WeakPolarHBondContact O-CB 3.31Å; T368-F371 PolarHBondContact O-N 3.49Å; T368-F371 VanDerWaalsContact O-N 3.13Å; A369-F371 PolarHBondContact O-N 2.88Å; F371-L373 PolarHBondContact O-N 3.46Å; F371-Q374 VanDerWaalsContact O-CB 3.28Å; F371-Q374 WeakPolarHBondContact O-CB 3.34Å; F371-Q374 PolarHBondContact O-N 2.89Å; F371-I592 HydrophobicContact CE1-CD1 4.16Å
372	L	98.4	Very high	96.2	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.021	16%	0.162	C	C	.	.	H	α-helix	trans	-63.6	-30.5	-177	-67	173.8	0	0	0	113	W299 T368 A369 Q374 A375 M510 C513 A514 W578 W581 I592	W299-L372 HydrophobicContact CZ3-CD2 4.43Å; T368-L372 HydrophobicContact CG2-CD1 4.29Å; T368-L372 HydrophobicContact CG2-CG 4.48Å; T368-L372 VanDerWaalsContact O-CG 3.3Å; T368-L372 WeakPolarHBondContact O-CG 3.33Å; T368-L372 PolarHBondContact O-N 3.35Å; A369-L372 PolarHBondContact O-N 3.33Å; L372-Q374 PolarHBondContact O-N 3.45Å; L372-A375 PolarHBondContact O-N 3.13Å; L372-M510 HydrophobicContact CB-CE 4.3Å; L372-M510 HydrophobicContact CB-CG 3.72Å; L372-M510 HydrophobicContact CB-SD 4.05Å; L372-M510 HydrophobicContact CD1-CG 3.92Å; L372-M510 HydrophobicContact CG-CG 4.49Å; L372-C513 HydrophobicContact CD1-CB 4.17Å; L372-A514 HydrophobicContact CD1-CB 4.17Å; L372-W578 HydrophobicContact CD1-CH2 4.23Å; L372-W578 HydrophobicContact CD2-CH2 3.97Å; L372-W578 HydrophobicContact CD2-CZ3 3.99Å; L372-W581 HydrophobicContact CB-CZ2 4.24Å; L372-W581 HydrophobicContact CD2-CZ2 4.36Å; L372-I592 HydrophobicContact CD2-CD1 4.18Å
373	L	97.8	Very high	96.1	Very high	14 Å²	14	33.5 Å²	33.5	7%	0.073	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-11.3	171.4	-78.2	169.1	0	0	0	114	R326 A369 F371 F382 I387 V390 L391 L507 M510	R326-L373 VanDerWaalsContact NH2-CB 3.32Å; A369-L373 WeakPolarHBondContact O-CG 3.45Å; A369-L373 PolarHBondContact O-N 3.48Å; A369-L373 VanDerWaalsContact O-N 3.11Å; F371-L373 PolarHBondContact O-N 3.46Å; L373-F382 HydrophobicContact CD2-CD2 3.81Å; L373-F382 HydrophobicContact CD2-CE2 4.27Å; L373-I387 HydrophobicContact CD1-CG2 4.05Å; L373-I387 HydrophobicContact CD2-CG1 4.28Å; L373-V390 HydrophobicContact CD1-CG1 3.79Å; L373-V390 HydrophobicContact CD2-CG1 4.24Å; L373-V390 HydrophobicContact CG-CG1 4.34Å; L373-L391 HydrophobicContact CD1-CD1 4.36Å; L373-L391 HydrophobicContact CD1-CD2 4.04Å; L373-L391 HydrophobicContact CD1-CG 4.08Å; L373-L507 HydrophobicContact CD2-CD2 4.42Å; L373-M510 HydrophobicContact CD2-CE 3.94Å; L373-M510 HydrophobicContact CD2-SD 3.72Å; L373-M510 HydrophobicContact CG-CE 4.24Å; L373-M510 HydrophobicContact CG-SD 3.63Å
374	Q	96.8	Very high	96	Very high	70 Å²	70	37.5 Å²	37.5	33%	0.327	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	1.9	-179.9	-60.7	172.9	-56.6	0	0	113.1	D297 F371 L372 E376	D297-Q374 PolarHBondContact OD1-NE2 3.19Å; F371-Q374 VanDerWaalsContact O-CB 3.28Å; F371-Q374 WeakPolarHBondContact O-CB 3.34Å; F371-Q374 PolarHBondContact O-N 2.89Å; L372-Q374 PolarHBondContact O-N 3.45Å; Q374-E376 PolarHBondContact O-N 3.1Å
375	A	95.4	Very high	96	Very high	13 Å²	13	38.5 Å²	38.5	11%	0.107	21%	0.207	C	C	.	.			trans	-62.6	124.4	175.5	0	0	0	0	0	110.1	L372 A377 L378 V585 C588	L372-A375 PolarHBondContact O-N 3.13Å; A375-A377 PolarHBondContact O-N 2.97Å; A375-A377 VanDerWaalsContact O-N 3.07Å; A375-L378 HydrophobicContact CB-CD1 4.2Å; A375-L378 HydrophobicContact CB-CG 4.3Å; A375-L378 WeakPolarHBondContact O-CA 3.25Å; A375-L378 WeakPolarHBondContact O-CB 3.43Å; A375-L378 PolarHBondContact O-N 3.15Å; A375-V585 HydrophobicContact CB-CB 4.16Å; A375-V585 HydrophobicContact CB-CG1 4.26Å; A375-C588 HydrophobicContact CB-CB 3.93Å
376	E	92.4	Very high	96	Very high	148 Å²	148	39 Å²	39	69%	0.692	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-54.3	-32.2	-178.8	-172	179.9	-177.5	0	0	112.4	Q374 L378 D379	Q374-E376 PolarHBondContact O-N 3.1Å; E376-L378 PolarHBondContact O-N 2.96Å; E376-L378 VanDerWaalsContact O-N 3.1Å; E376-D379 WeakPolarHBondContact O-CB 3.31Å; E376-D379 PolarHBondContact O-N 3.25Å; E376-D379 VanDerWaalsContact O-N 3.15Å
377	A	89.2	Confident	96	Very high	33 Å²	33	40.1 Å²	40.1	27%	0.273	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-63.6	-12.6	174.5	0	0	0	0	0	114.6	A375 V585	A375-A377 PolarHBondContact O-N 2.97Å; A375-A377 VanDerWaalsContact O-N 3.07Å; A377-V585 HydrophobicContact CB-CB 4.11Å; A377-V585 HydrophobicContact CB-CG1 4.45Å
378	L	92.1	Very high	96	Very high	6 Å²	6	40.1 Å²	40.1	3%	0.031	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-114	6.8	179.8	-56.1	177.3	0	0	0	112.4	A375 E376 D380 V381 F382 L495 I506 M510 W581 V585	A375-L378 HydrophobicContact CB-CD1 4.2Å; A375-L378 HydrophobicContact CB-CG 4.3Å; A375-L378 WeakPolarHBondContact O-CA 3.25Å; A375-L378 WeakPolarHBondContact O-CB 3.43Å; A375-L378 PolarHBondContact O-N 3.15Å; E376-L378 PolarHBondContact O-N 2.96Å; E376-L378 VanDerWaalsContact O-N 3.1Å; L378-D380 PolarHBondContact O-N 3Å; L378-V381 VanDerWaalsContact O-CB 3.31Å; L378-V381 WeakPolarHBondContact O-CB 3.31Å; L378-V381 WeakPolarHBondContact O-CG2 3.45Å; L378-V381 PolarHBondContact O-N 3.04Å; L378-V381 VanDerWaalsContact O-N 3.17Å; L378-F382 HydrophobicContact CB-CE2 4.27Å; L378-F382 HydrophobicContact CD1-CE2 4.23Å; L378-F382 HydrophobicContact CD2-CE2 4.39Å; L378-L495 HydrophobicContact CD2-CD1 4.17Å; L378-I506 HydrophobicContact CD2-CG2 4.45Å; L378-M510 HydrophobicContact CD1-CE 3.57Å; L378-W581 HydrophobicContact CD1-CH2 4.23Å; L378-W581 HydrophobicContact CD1-CZ2 4.15Å; L378-V585 HydrophobicContact CD1-CG1 4.02Å; L378-V585 HydrophobicContact CD2-CG1 4.36Å; L378-V585 HydrophobicContact CG-CG1 4.07Å
379	D	90.4	Very high	96	Very high	96 Å²	96	40.1 Å²	40.1	51%	0.513	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	135.6	176.6	-78.2	-12.7	0	0	0	111.1	E376 V381	E376-D379 WeakPolarHBondContact O-CB 3.31Å; E376-D379 PolarHBondContact O-N 3.25Å; E376-D379 VanDerWaalsContact O-N 3.15Å; D379-V381 PolarHBondContact O-N 2.96Å
380	D	89.6	Confident	96	Very high	173 Å²	173	40.1 Å²	40.1	93%	0.925	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	11	-176.9	-63	-40.4	0	0	0	115.5	L378	L378-D380 PolarHBondContact O-N 3Å
381	V	92.7	Very high	96	Very high	24 Å²	24	40 Å²	40	15%	0.145	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-62	174.7	174	0	0	0	0	108.3	L378 D379 L497 R503	L378-V381 VanDerWaalsContact O-CB 3.31Å; L378-V381 WeakPolarHBondContact O-CB 3.31Å; L378-V381 WeakPolarHBondContact O-CG2 3.45Å; L378-V381 PolarHBondContact O-N 3.04Å; L378-V381 VanDerWaalsContact O-N 3.17Å; D379-V381 PolarHBondContact O-N 2.96Å; V381-L497 HydrophobicContact CB-CD1 4.43Å; V381-L497 HydrophobicContact CG1-CB 4.31Å; V381-L497 HydrophobicContact CG1-CD1 3.37Å; V381-L497 HydrophobicContact CG1-CG 4.48Å; V381-L497 HydrophobicContact CG2-CD1 4.16Å; V381-R503 PolarHBondContact O-NH1 3.15Å; V381-R503 PolarHBondContact O-NH2 2.96Å
382	F	96.2	Very high	96	Very high	21 Å²	21	38.2 Å²	38.2	9%	0.092	21%	0.207	C	C	.	.	S	Bend	trans	-85.2	139.5	-169.6	-57	-64.4	0	0	0	113.5	L373 L378 E386 I387 R503 I506 L507 M510	L373-F382 HydrophobicContact CD2-CD2 3.81Å; L373-F382 HydrophobicContact CD2-CE2 4.27Å; L378-F382 HydrophobicContact CB-CE2 4.27Å; L378-F382 HydrophobicContact CD1-CE2 4.23Å; L378-F382 HydrophobicContact CD2-CE2 4.39Å; F382-E386 HydrophobicContact CB-CB 4.22Å; F382-E386 HydrophobicContact CD1-CB 4.48Å; F382-I387 HydrophobicContact CB-CD1 4.4Å; F382-I387 HydrophobicContact CB-CG1 3.91Å; F382-R503 HydrophobicContact CE1-CB 4.35Å; F382-I506 HydrophobicContact CZ-CB 4.08Å; F382-I506 HydrophobicContact CZ-CG2 3.72Å; F382-L507 HydrophobicContact CD1-CD1 3.9Å; F382-L507 HydrophobicContact CD1-CD2 3.79Å; F382-L507 HydrophobicContact CD1-CG 3.92Å; F382-L507 HydrophobicContact CD2-CD2 4.13Å; F382-L507 HydrophobicContact CE1-CD1 3.93Å; F382-L507 HydrophobicContact CE1-CD2 3.6Å; F382-L507 HydrophobicContact CE1-CG 3.52Å; F382-L507 HydrophobicContact CE2-CD2 3.96Å; F382-L507 HydrophobicContact CG-CD2 4.05Å; F382-L507 HydrophobicContact CZ-CD2 3.69Å; F382-L507 HydrophobicContact CZ-CG 3.95Å; F382-M510 HydrophobicContact CE2-CE 4.09Å
383	S	96.9	Very high	96	Very high	54 Å²	54	38 Å²	38	38%	0.378	21%	0.206	S	C	.	.			trans	-72.7	158.2	169.4	70.4	0	0	0	0	110.7	L385 E386 I387	S383-L385 PolarHBondContact O-N 2.86Å; S383-E386 WeakPolarHBondContact CA-OE2 3.35Å; S383-E386 WeakPolarHBondContact CB-OE2 3.24Å; S383-E386 PolarHBondContact N-OE2 3.32Å; S383-E386 PolarHBondContact O-N 2.95Å; S383-E386 PolarHBondContact OG-N 3.33Å; S383-E386 PolarHBondContact OG-OE2 3.37Å; S383-I387 PolarHBondContact O-N 3.25Å
384	D	98.2	Very high	96.1	Very high	85 Å²	85	37.4 Å²	37.4	46%	0.455	20%	0.202	S	C	.	.	H	α-helix	trans	-53.3	-31.6	175.1	-59.8	-34	0	0	0	112.8	T331 F332 L388	T331-D384 HydrophobicContact CG2-CB 4.04Å; F332-D384 HydrophobicContact CE2-CB 3.9Å; F332-D384 WeakPolarHBondContact CE2-O 3.09Å; F332-D384 VanDerWaalsContact CZ-C 3.48Å; F332-D384 HydrophobicContact CZ-CB 3.72Å; F332-D384 WeakPolarHBondContact CZ-O 3.4Å; D384-L388 VanDerWaalsContact O-CB 3.28Å; D384-L388 WeakPolarHBondContact O-CB 3.44Å; D384-L388 PolarHBondContact O-N 3.3Å
385	L	98.3	Very high	96.2	Very high	22 Å²	22	34.3 Å²	34.3	12%	0.115	19%	0.189	C	C	.	.	H	α-helix	trans	-73.8	-33.9	-178.9	-169.2	70.5	0	0	0	111.9	F332 S383 L388 A389 L449 K453 T456 L457 M460	F332-L385 HydrophobicContact CE1-CB 4.47Å; F332-L385 HydrophobicContact CE1-CD1 3.72Å; F332-L385 HydrophobicContact CZ-CB 4.24Å; F332-L385 HydrophobicContact CZ-CD1 4.12Å; S383-L385 PolarHBondContact O-N 2.86Å; L385-L388 HydrophobicContact CD1-CD2 4.43Å; L385-A389 WeakPolarHBondContact O-CB 3.21Å; L385-A389 PolarHBondContact O-N 3.32Å; L385-L449 HydrophobicContact CD1-CD2 3.93Å; L385-K453 HydrophobicContact CD1-CB 4.39Å; L385-K453 HydrophobicContact CD2-CB 4.31Å; L385-K453 HydrophobicContact CD2-CG 4.37Å; L385-T456 HydrophobicContact CD2-CG2 3.82Å; L385-L457 HydrophobicContact CD1-CB 4.17Å; L385-L457 HydrophobicContact CD1-CD1 4.03Å; L385-M460 HydrophobicContact CD2-CE 4.19Å; L385-M460 HydrophobicContact CG-CE 3.92Å; L385-M460 WeakPolarHBondContact O-CE 3.41Å
386	E	98.5	Very high	96.4	Very high	12 Å²	12	33.8 Å²	33.8	6%	0.056	18%	0.184	C	C	.	.	H	α-helix	trans	-72.7	-41.6	174	-76.1	151.1	145.9	0	0	110.9	F382 S383 L388 A389 V390 M460 R503 L507	F382-E386 HydrophobicContact CB-CB 4.22Å; F382-E386 HydrophobicContact CD1-CB 4.48Å; S383-E386 WeakPolarHBondContact CA-OE2 3.35Å; S383-E386 WeakPolarHBondContact CB-OE2 3.24Å; S383-E386 PolarHBondContact N-OE2 3.32Å; S383-E386 PolarHBondContact O-N 2.95Å; S383-E386 PolarHBondContact OG-N 3.33Å; S383-E386 PolarHBondContact OG-OE2 3.37Å; E386-L388 VanDerWaalsContact C-N 3.34Å; E386-L388 PolarHBondContact O-N 3.2Å; E386-A389 PolarHBondContact O-N 3.15Å; E386-A389 VanDerWaalsContact O-N 3.12Å; E386-V390 PolarHBondContact O-N 3.44Å; E386-M460 HydrophobicContact CB-SD 4.44Å; E386-M460 HydrophobicContact CG-CE 4.05Å; E386-M460 HydrophobicContact CG-SD 3.45Å; E386-M460 WeakPolarHBondContact CG-SD 3.49Å; E386-R503 VanDerWaalsContact CD-NH2 3.33Å; E386-R503 IonicContact OE1-CZ 2.96Å; E386-R503 IonicContact OE1-NE 3.89Å; E386-R503 PolarHBondContact OE1-NE 2.78Å; E386-R503 IonicContact OE1-NH2 3.16Å; E386-R503 PolarHBondContact OE1-NH2 3.34Å; E386-R503 IonicContact OE2-CZ 3.49Å; E386-R503 IonicContact OE2-NE 3.46Å; E386-R503 IonicContact OE2-NH2 2.88Å; E386-R503 PolarHBondContact OE2-NH2 2.94Å; E386-L507 HydrophobicContact CB-CD1 3.84Å; E386-L507 HydrophobicContact CG-CD1 4.09Å
387	I	98.7	Very high	96.7	Very high	23 Å²	23	26.7 Å²	26.7	12%	0.118	15%	0.151	C	C	.	.	H	α-helix	trans	-58.9	-47.2	173	-66.6	170.7	0	0	0	110.3	L328 L373 F382 S383 A389 V390 L391	L328-I387 HydrophobicContact CD1-CG2 4.37Å; L328-I387 HydrophobicContact CD2-CG2 4.38Å; L373-I387 HydrophobicContact CD1-CG2 4.05Å; L373-I387 HydrophobicContact CD2-CG1 4.28Å; F382-I387 HydrophobicContact CB-CD1 4.4Å; F382-I387 HydrophobicContact CB-CG1 3.91Å; S383-I387 PolarHBondContact O-N 3.25Å; I387-A389 VanDerWaalsContact C-N 3.3Å; I387-A389 PolarHBondContact O-N 3.33Å; I387-V390 WeakPolarHBondContact O-CG1 3.33Å; I387-L391 HydrophobicContact CG2-CD1 3.83Å; I387-L391 WeakPolarHBondContact O-CB 3.47Å; I387-L391 VanDerWaalsContact O-CG 3.28Å; I387-L391 WeakPolarHBondContact O-CG 3.42Å; I387-L391 PolarHBondContact O-N 2.84Å; I387-L391 VanDerWaalsContact O-N 3.15Å
388	L	98.8	Very high	97.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-57.6	-44	173.8	174.9	62.2	0	0	0	111.5	F323 L328 F332 D384 L385 E386 F392 F446 L449 L457	F323-L388 HydrophobicContact CD1-CD1 4.49Å; F323-L388 HydrophobicContact CE1-CD1 3.44Å; F323-L388 VanDerWaalsContact CE1-CD1 3.44Å; F323-L388 HydrophobicContact CZ-CD1 3.8Å; L328-L388 HydrophobicContact CD2-CB 4.44Å; F332-L388 HydrophobicContact CB-CD2 4.49Å; F332-L388 HydrophobicContact CD1-CD2 3.97Å; F332-L388 HydrophobicContact CD2-CB 4.32Å; F332-L388 HydrophobicContact CD2-CD2 3.61Å; F332-L388 HydrophobicContact CD2-CG 4.38Å; F332-L388 HydrophobicContact CE1-CD2 4.09Å; F332-L388 HydrophobicContact CE2-CB 3.78Å; F332-L388 HydrophobicContact CE2-CD2 3.73Å; F332-L388 HydrophobicContact CE2-CG 4.3Å; F332-L388 HydrophobicContact CG-CD2 3.74Å; F332-L388 HydrophobicContact CZ-CB 4.22Å; F332-L388 HydrophobicContact CZ-CD2 3.98Å; D384-L388 VanDerWaalsContact O-CB 3.28Å; D384-L388 WeakPolarHBondContact O-CB 3.44Å; D384-L388 PolarHBondContact O-N 3.3Å; L385-L388 HydrophobicContact CD1-CD2 4.43Å; E386-L388 VanDerWaalsContact C-N 3.34Å; E386-L388 PolarHBondContact O-N 3.2Å; L388-F392 WeakPolarHBondContact O-CB 3.3Å; L388-F392 PolarHBondContact O-N 2.64Å; L388-F446 HydrophobicContact CD1-CE1 4.18Å; L388-F446 HydrophobicContact CD2-CD1 4.33Å; L388-F446 HydrophobicContact CD2-CE1 3.9Å; L388-F446 HydrophobicContact CG-CE1 4.21Å; L388-L449 HydrophobicContact CD2-CD2 4.46Å; L388-L457 HydrophobicContact CD2-CD1 3.43Å; L388-L457 VanDerWaalsContact CD2-CD1 3.43Å; L388-L457 HydrophobicContact CG-CD1 3.84Å
389	A	98.8	Very high	97.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-66.8	-44.4	-177.1	0	0	0	0	0	112.9	L385 E386 I387 F392 A393 M460 V461 L464	L385-A389 WeakPolarHBondContact O-CB 3.21Å; L385-A389 PolarHBondContact O-N 3.32Å; E386-A389 PolarHBondContact O-N 3.15Å; E386-A389 VanDerWaalsContact O-N 3.12Å; I387-A389 VanDerWaalsContact C-N 3.3Å; I387-A389 PolarHBondContact O-N 3.33Å; A389-F392 PolarHBondContact O-N 2.91Å; A389-A393 WeakPolarHBondContact O-CB 3.38Å; A389-A393 PolarHBondContact O-N 3.25Å; A389-M460 HydrophobicContact CB-CB 3.9Å; A389-M460 HydrophobicContact CB-CE 3.75Å; A389-V461 HydrophobicContact CB-CG2 3.93Å; A389-L464 HydrophobicContact CB-CD1 4.26Å
390	V	98.9	Very high	97.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-70.2	-37.7	-179.9	71.9	0	0	0	0	112.6	L373 E386 I387 A393 A394 L464 L507 I511	L373-V390 HydrophobicContact CD1-CG1 3.79Å; L373-V390 HydrophobicContact CD2-CG1 4.24Å; L373-V390 HydrophobicContact CG-CG1 4.34Å; E386-V390 PolarHBondContact O-N 3.44Å; I387-V390 WeakPolarHBondContact O-CG1 3.33Å; V390-A393 PolarHBondContact O-N 3.25Å; V390-A394 WeakPolarHBondContact O-CB 3.22Å; V390-A394 PolarHBondContact O-N 2.92Å; V390-L464 HydrophobicContact CB-CD1 4.15Å; V390-L464 HydrophobicContact CG2-CD2 4.44Å; V390-L507 HydrophobicContact CB-CD2 4.18Å; V390-L507 HydrophobicContact CG1-CD2 4.13Å; V390-L507 HydrophobicContact CG2-CD2 4.4Å; V390-I511 HydrophobicContact CG2-CB 4.27Å
391	L	98.9	Very high	98.3	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-69	-42.6	174.8	-65	173.2	0	0	0	111.2	I322 F323 L328 L366 H370 L373 I387 A394 A395	I322-L391 HydrophobicContact CG2-CD1 3.89Å; I322-L391 HydrophobicContact CG2-CD2 4.35Å; F323-L391 HydrophobicContact CE2-CB 4.11Å; L328-L391 HydrophobicContact CD1-CD1 3.79Å; L366-L391 HydrophobicContact CD1-CB 3.89Å; L366-L391 HydrophobicContact CD1-CD2 3.84Å; L366-L391 HydrophobicContact CD1-CG 4.47Å; L366-L391 VanDerWaalsContact CD1-O 3.22Å; L366-L391 WeakPolarHBondContact CD1-O 3.38Å; H370-L391 HydrophobicContact CB-CD2 3.88Å; L373-L391 HydrophobicContact CD1-CD1 4.36Å; L373-L391 HydrophobicContact CD1-CD2 4.04Å; L373-L391 HydrophobicContact CD1-CG 4.08Å; I387-L391 HydrophobicContact CG2-CD1 3.83Å; I387-L391 WeakPolarHBondContact O-CB 3.47Å; I387-L391 VanDerWaalsContact O-CG 3.28Å; I387-L391 WeakPolarHBondContact O-CG 3.42Å; I387-L391 PolarHBondContact O-N 2.84Å; I387-L391 VanDerWaalsContact O-N 3.15Å; L391-A394 PolarHBondContact O-N 3.38Å; L391-A395 PolarHBondContact O-N 2.84Å; L391-A395 VanDerWaalsContact O-N 3.1Å
392	F	98.9	Very high	98.6	Very high	5 Å²	5	15.4 Å²	15.4	2%	0.022	9%	0.087	C	C	.	.	H	α-helix	trans	-62	-45.3	174.1	180	-99.9	0	0	0	111.6	Y342 L388 A389 A394 A395 I396 F435 I445 F446 V461	Y342-F392 HydrophobicContact CE1-CD2 4.39Å; Y342-F392 AromaticContact CE1-CE2 3.47Å; Y342-F392 HydrophobicContact CE1-CE2 3.47Å; Y342-F392 VanDerWaalsContact CE1-CE2 3.47Å; Y342-F392 HydrophobicContact CE1-CZ 4.21Å; Y342-F392 AromaticContact CZ-CE2 3.6Å; Y342-F392 AromaticContact CZ-CZ 3.86Å; Y342-F392 VanDerWaalsContact OH-CE2 3.3Å; Y342-F392 WeakPolarHBondContact OH-CE2 3.35Å; Y342-F392 WeakPolarHBondContact OH-CZ 3.23Å; L388-F392 WeakPolarHBondContact O-CB 3.3Å; L388-F392 PolarHBondContact O-N 2.64Å; A389-F392 PolarHBondContact O-N 2.91Å; F392-A394 PolarHBondContact O-N 3.13Å; F392-A395 PolarHBondContact O-N 2.91Å; F392-I396 HydrophobicContact CD1-CD1 4.06Å; F392-I396 HydrophobicContact CD1-CG1 4.5Å; F392-I396 HydrophobicContact CE1-CD1 3.6Å; F392-I396 HydrophobicContact CE1-CG1 4.38Å; F392-I396 HydrophobicContact CE1-CG2 4.43Å; F392-I396 HydrophobicContact CE2-CG2 4.28Å; F392-I396 HydrophobicContact CZ-CD1 4.25Å; F392-I396 HydrophobicContact CZ-CG2 4.18Å; F392-I396 WeakPolarHBondContact O-CG1 3.42Å; F392-I396 PolarHBondContact O-N 3.43Å; F392-F435 HydrophobicContact CE1-CZ 4.45Å; F392-I445 HydrophobicContact CD2-CD1 3.88Å; F392-I445 HydrophobicContact CE2-CD1 3.73Å; F392-F446 HydrophobicContact CB-CZ 4.43Å; F392-F446 HydrophobicContact CD1-CE2 4.32Å; F392-F446 HydrophobicContact CD1-CZ 4.11Å; F392-F446 HydrophobicContact CD2-CE2 4.13Å; F392-F446 AromaticContact CD2-CZ 3.59Å; F392-F446 HydrophobicContact CD2-CZ 3.59Å; F392-F446 AromaticContact CE1-CE2 3.98Å; F392-F446 HydrophobicContact CE1-CE2 3.98Å; F392-F446 HydrophobicContact CE1-CZ 4.21Å; F392-F446 AromaticContact CE2-CE2 3.76Å; F392-F446 HydrophobicContact CE2-CE2 3.76Å; F392-F446 AromaticContact CE2-CZ 3.69Å; F392-F446 HydrophobicContact CE2-CZ 3.69Å; F392-F446 HydrophobicContact CG-CE2 4.37Å; F392-F446 AromaticContact CG-CZ 3.78Å; F392-F446 HydrophobicContact CG-CZ 3.78Å; F392-F446 AromaticContact CZ-CE2 3.68Å; F392-F446 HydrophobicContact CZ-CE2 3.68Å; F392-F446 HydrophobicContact CZ-CZ 4.01Å; F392-V461 HydrophobicContact CD1-CB 4.42Å; F392-V461 HydrophobicContact CD1-CG1 3.79Å; F392-V461 HydrophobicContact CD1-CG2 3.73Å; F392-V461 HydrophobicContact CE1-CG1 3.97Å; F392-V461 HydrophobicContact CE1-CG2 4.43Å
393	A	99	Very high	98.7	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-57.7	-48.4	176.8	0	0	0	0	0	111.4	A389 V390 A395 I396 H397 V461 L464 V465 I511	A389-A393 WeakPolarHBondContact O-CB 3.38Å; A389-A393 PolarHBondContact O-N 3.25Å; V390-A393 PolarHBondContact O-N 3.25Å; A393-A395 VanDerWaalsContact C-N 3.28Å; A393-A395 PolarHBondContact O-N 3.38Å; A393-I396 WeakPolarHBondContact O-CG1 3.37Å; A393-I396 PolarHBondContact O-N 3.44Å; A393-H397 WeakPolarHBondContact O-CB 3.43Å; A393-H397 PolarHBondContact O-N 3.07Å; A393-V461 HydrophobicContact CB-CG1 4.29Å; A393-L464 HydrophobicContact CB-CB 3.72Å; A393-L464 HydrophobicContact CB-CD1 4.06Å; A393-V465 HydrophobicContact CB-CG2 3.92Å; A393-I511 HydrophobicContact CB-CD1 3.75Å
394	A	98.9	Very high	98.8	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-58.1	-38.4	177.3	0	0	0	0	0	112.8	V365 L366 A369 V390 L391 F392 I396 H397 I511	V365-A394 HydrophobicContact CG1-CB 4.09Å; L366-A394 HydrophobicContact CB-CB 4.29Å; L366-A394 HydrophobicContact CD1-CB 4.36Å; A369-A394 HydrophobicContact CB-CB 4.17Å; V390-A394 WeakPolarHBondContact O-CB 3.22Å; V390-A394 PolarHBondContact O-N 2.92Å; L391-A394 PolarHBondContact O-N 3.38Å; F392-A394 PolarHBondContact O-N 3.13Å; A394-I396 VanDerWaalsContact C-N 3.27Å; A394-I396 PolarHBondContact O-N 2.91Å; A394-H397 PolarHBondContact O-ND1 3.39Å; A394-I511 HydrophobicContact CB-CD1 4.14Å; A394-I511 HydrophobicContact CB-CG1 4.38Å
395	A	98.9	Very high	98.8	Very high	6 Å²	6	10.5 Å²	10.5	5%	0.05	6%	0.061	C	C	.	.	H	α-helix	trans	-69.5	-20.5	178.1	0	0	0	0	0	114.4	L315 Y350 L366 L391 F392 A393	L315-A395 HydrophobicContact CD1-CB 4.1Å; Y350-A395 PolarHBondContact OH-O 3.32Å; L366-A395 HydrophobicContact CD2-CB 4.15Å; L391-A395 PolarHBondContact O-N 2.84Å; L391-A395 VanDerWaalsContact O-N 3.1Å; F392-A395 PolarHBondContact O-N 2.91Å; A393-A395 VanDerWaalsContact C-N 3.28Å; A393-A395 PolarHBondContact O-N 3.38Å
396	I	98.9	Very high	98.7	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	6%	0.062	C	C	.	.	H	α-helix	trans	-117.6	-4.8	-173.3	69.3	160	0	0	0	114.1	V346 F392 A393 A394 D398 V399 L431 A434 V461 V465	V346-I396 HydrophobicContact CG1-CG2 4.29Å; V346-I396 HydrophobicContact CG2-CG2 4.46Å; F392-I396 HydrophobicContact CD1-CD1 4.06Å; F392-I396 HydrophobicContact CD1-CG1 4.5Å; F392-I396 HydrophobicContact CE1-CD1 3.6Å; F392-I396 HydrophobicContact CE1-CG1 4.38Å; F392-I396 HydrophobicContact CE1-CG2 4.43Å; F392-I396 HydrophobicContact CE2-CG2 4.28Å; F392-I396 HydrophobicContact CZ-CD1 4.25Å; F392-I396 HydrophobicContact CZ-CG2 4.18Å; F392-I396 WeakPolarHBondContact O-CG1 3.42Å; F392-I396 PolarHBondContact O-N 3.43Å; A393-I396 WeakPolarHBondContact O-CG1 3.37Å; A393-I396 PolarHBondContact O-N 3.44Å; A394-I396 VanDerWaalsContact C-N 3.27Å; A394-I396 PolarHBondContact O-N 2.91Å; I396-D398 PolarHBondContact O-N 3.19Å; I396-V399 HydrophobicContact CB-CG1 4.48Å; I396-V399 WeakPolarHBondContact O-CG1 3.41Å; I396-V399 PolarHBondContact O-N 2.91Å; I396-V399 VanDerWaalsContact O-N 3.1Å; I396-L431 HydrophobicContact CD1-CD2 4.45Å; I396-A434 HydrophobicContact CB-CB 3.7Å; I396-A434 HydrophobicContact CD1-CB 3.36Å; I396-A434 HydrophobicContact CG1-CB 4.09Å; I396-A434 HydrophobicContact CG2-CB 3.82Å; I396-V461 HydrophobicContact CD1-CG1 3.85Å; I396-V465 HydrophobicContact CD1-CG2 4.28Å; I396-V465 HydrophobicContact CG1-CG2 4.17Å
397	H	98.9	Very high	98.6	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-22.1	-162.9	73.6	-71.5	0	0	0	114.1	H361 A393 A394 H430 V465 T468	H361-H397 AromaticContact CD2-CE1 3.97Å; H361-H397 AromaticContact CD2-NE2 3.84Å; H361-H397 AromaticContact NE2-CE1 3.79Å; H361-H397 AromaticContact NE2-NE2 3.33Å; H361-H397 PolarHBondContact NE2-NE2 3.11Å; A393-H397 WeakPolarHBondContact O-CB 3.43Å; A393-H397 PolarHBondContact O-N 3.07Å; A394-H397 PolarHBondContact O-ND1 3.39Å; H397-H430 VanDerWaalsContact O-CB 3.25Å; H397-H430 WeakPolarHBondContact O-CB 2.94Å; H397-H430 PolarHBondContact O-CD2 3.01Å; H397-V465 HydrophobicContact CB-CG1 4.27Å; H397-V465 HydrophobicContact CB-CG2 4.33Å; H397-T468 HydrophobicContact CB-CG2 4.25Å
398	D	98.9	Very high	98.6	Very high	11 Å²	11	13.5 Å²	13.5	6%	0.059	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125	16.5	-178.8	-80.1	-21.8	0	0	0	113.9	Y350 H357 H361 I396 D400 H401 H430	Y350-D398 HydrophobicContact CE1-CB 3.65Å; Y350-D398 WeakPolarHBondContact CE1-O 3.43Å; Y350-D398 PolarHBondContact OH-N 2.68Å; H357-D398 IonicContact CD2-OD2 3.76Å; H357-D398 PolarHBondContact CD2-OD2 3.14Å; H357-D398 VanDerWaalsContact CD2-OD2 3.32Å; H361-D398 IonicContact CD2-OD2 2.66Å; H361-D398 PolarHBondContact CD2-OD2 3.1Å; H361-D398 IonicContact NE2-OD2 3.84Å; H361-D398 PolarHBondContact NE2-OD2 3.33Å; I396-D398 PolarHBondContact O-N 3.19Å; D398-D400 PolarHBondContact O-N 3.2Å; D398-H401 HydrophobicContact CB-CB 4.41Å; D398-H401 VanDerWaalsContact O-CB 3.27Å; D398-H401 WeakPolarHBondContact O-CB 3.46Å; D398-H401 PolarHBondContact O-N 3.39Å; D398-H401 VanDerWaalsContact O-N 3.08Å; D398-H430 IonicContact OD1-CD2 3.4Å; D398-H430 IonicContact OD1-NE2 2.7Å
399	V	98.9	Very high	98.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	132.9	-175.1	68.2	0	0	0	0	110.6	V346 T349 Y350 I396 H430 M433 A434	V346-V399 HydrophobicContact CG1-CB 4.42Å; V346-V399 HydrophobicContact CG1-CG2 4.01Å; T349-V399 HydrophobicContact CG2-CG2 3.82Å; Y350-V399 HydrophobicContact CD2-CB 4.24Å; Y350-V399 HydrophobicContact CD2-CG2 4.02Å; Y350-V399 HydrophobicContact CE2-CB 3.72Å; Y350-V399 HydrophobicContact CE2-CG2 3.96Å; Y350-V399 VanDerWaalsContact CZ-CA 3.49Å; Y350-V399 VanDerWaalsContact CZ-N 3.34Å; Y350-V399 PolarHBondContact OH-N 3.39Å; I396-V399 HydrophobicContact CB-CG1 4.48Å; I396-V399 WeakPolarHBondContact O-CG1 3.41Å; I396-V399 PolarHBondContact O-N 2.91Å; I396-V399 VanDerWaalsContact O-N 3.1Å; V399-H430 HydrophobicContact CG1-CB 4.31Å; V399-H430 WeakPolarHBondContact CG1-O 3.38Å; V399-H430 PolarHBondContact O-ND1 3.07Å; V399-M433 HydrophobicContact CG1-CB 4.03Å; V399-A434 HydrophobicContact CG1-CB 4.05Å
400	D	98.9	Very high	98.4	Very high	35 Å²	35	15.8 Å²	15.8	19%	0.187	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	25	-174.1	-149.1	40	0	0	0	115.1	T349 H351 D398 H429 M433	T349-D400 HydrophobicContact CG2-CB 3.88Å; T349-D400 WeakPolarHBondContact O-CA 3.45Å; T349-D400 PolarHBondContact O-N 2.93Å; H351-D400 IonicContact CD2-OD1 2.79Å; H351-D400 IonicContact CE1-OD1 2.74Å; H351-D400 IonicContact NE2-OD1 3.6Å; H351-D400 PolarHBondContact NE2-OD1 2.77Å; D398-D400 PolarHBondContact O-N 3.2Å; D400-H429 IonicContact OD2-CD2 2.86Å; D400-H429 IonicContact OD2-CE1 3.3Å; D400-H429 PolarHBondContact OD2-CE1 3.15Å; D400-H429 IonicContact OD2-NE2 2.86Å; D400-H429 PolarHBondContact OD2-NE2 3.17Å; D400-M433 HydrophobicContact CB-CB 4.45Å; D400-M433 HydrophobicContact CB-CE 4.43Å; D400-M433 HydrophobicContact CB-CG 3.97Å
401	H	98.9	Very high	98.3	Very high	10 Å²	10	19.9 Å²	19.9	5%	0.046	11%	0.108	C	C	.	.			trans	-64.4	125.1	175.3	-168.1	-81.6	0	0	0	112.4	H357 D398 G403 H430 E536	H357-H401 HydrophobicContact CB-CB 3.79Å; H357-H401 VanDerWaalsContact CB-CG 3.49Å; H357-H401 WeakPolarHBondContact CB-ND1 3.49Å; H357-H401 AromaticContact CE1-CE1 3.98Å; H357-H401 AromaticContact CG-CE1 3.64Å; H357-H401 AromaticContact CG-CG 3.91Å; H357-H401 AromaticContact CG-ND1 3.65Å; H357-H401 AromaticContact CG-NE2 3.9Å; H357-H401 AromaticContact ND1-CE1 3.38Å; H357-H401 PolarHBondContact ND1-CE1 3.01Å; H357-H401 AromaticContact ND1-ND1 3.73Å; H357-H401 AromaticContact ND1-NE2 3.87Å; D398-H401 HydrophobicContact CB-CB 4.41Å; D398-H401 VanDerWaalsContact O-CB 3.27Å; D398-H401 WeakPolarHBondContact O-CB 3.46Å; D398-H401 PolarHBondContact O-N 3.39Å; D398-H401 VanDerWaalsContact O-N 3.08Å; H401-G403 VanDerWaalsContact C-N 3.29Å; H401-G403 PolarHBondContact ND1-N 3.12Å; H401-G403 PolarHBondContact O-N 3.44Å; H401-H430 AromaticContact CD2-CE1 3.89Å; H401-H430 AromaticContact CD2-NE2 3.75Å; H401-E536 IonicContact CE1-OE1 3.46Å; H401-E536 IonicContact ND1-OE1 3.82Å
402	P	98.7	Very high	98.2	Very high	38 Å²	38	22.2 Å²	22.2	25%	0.247	12%	0.122	C	C	.	.			trans	-85	5.6	-172.7	34	-36.6	0	0	0	114.8	V404 L426	P402-V404 HydrophobicContact CB-CG2 4.26Å; P402-V404 HydrophobicContact CG-CG2 3.78Å; P402-L426 VanDerWaalsContact CD-CD2 3.46Å; P402-L426 HydrophobicContact CG-CD2 3.91Å
403	G	98.7	Very high	98.1	Very high	5 Å²	5	23.9 Å²	23.9	5%	0.052	14%	0.141	C	C	.	.	S	Bend	trans	74.4	27.8	-179.6	0	0	0	0	0	114.5	H401 E536	H401-G403 VanDerWaalsContact C-N 3.29Å; H401-G403 PolarHBondContact ND1-N 3.12Å; H401-G403 PolarHBondContact O-N 3.44Å; G403-E536 VanDerWaalsContact CA-OE1 3.23Å; G403-E536 WeakPolarHBondContact CA-OE1 3.3Å
404	V	98.7	Very high	98.1	Very high	6 Å²	6	27.8 Å²	27.8	4%	0.036	16%	0.159	C	C	.	.	S	Bend	trans	-144.1	154.3	177.4	-65.9	0	0	0	0	109.9	P402 F408 L409 L426 Q540 K543	P402-V404 HydrophobicContact CB-CG2 4.26Å; P402-V404 HydrophobicContact CG-CG2 3.78Å; V404-F408 HydrophobicContact CB-CB 4.13Å; V404-F408 HydrophobicContact CB-CD1 3.59Å; V404-F408 HydrophobicContact CB-CE1 4.2Å; V404-F408 HydrophobicContact CB-CG 3.93Å; V404-F408 HydrophobicContact CG1-CD1 3.86Å; V404-F408 HydrophobicContact CG1-CE1 3.99Å; V404-F408 HydrophobicContact CG1-CG 4.23Å; V404-F408 HydrophobicContact CG1-CZ 4.46Å; V404-F408 HydrophobicContact CG2-CD1 3.58Å; V404-F408 HydrophobicContact CG2-CE1 4.09Å; V404-F408 HydrophobicContact CG2-CG 4.38Å; V404-L409 HydrophobicContact CG2-CD2 3.76Å; V404-L409 HydrophobicContact CG2-CG 4.28Å; V404-L426 WeakPolarHBondContact O-CD1 3.11Å; V404-Q540 HydrophobicContact CB-CG 4.41Å; V404-Q540 HydrophobicContact CG1-CB 4.14Å; V404-Q540 HydrophobicContact CG1-CG 4.06Å; V404-K543 HydrophobicContact CG1-CD 4Å
405	T	98.2	Very high	98.1	Very high	46 Å²	46	34 Å²	34	28%	0.282	19%	0.188	S	C	.	.			trans	-77	162.3	-175.7	66.2	0	0	0	0	113.8	Q407 F408 L409 Q540	T405-Q407 PolarHBondContact O-N 3.29Å; T405-F408 WeakPolarHBondContact O-CB 3.06Å; T405-F408 PolarHBondContact O-N 3.06Å; T405-F408 VanDerWaalsContact O-N 3.12Å; T405-F408 PolarHBondContact OG1-N 2.8Å; T405-L409 PolarHBondContact O-N 2.88Å; T405-L409 VanDerWaalsContact O-N 3.17Å; T405-Q540 PolarHBondContact OG1-NE2 2.84Å
406	N	96.9	Very high	98	Very high	28 Å²	28	34.7 Å²	34.7	15%	0.15	19%	0.191	C	C	.	.	H	α-helix	trans	-49.1	-46.1	168.7	-78.8	-27.4	0	0	0	111.6	F408 L409 I410 V425 L426 E427	N406-F408 VanDerWaalsContact C-N 3.34Å; N406-F408 PolarHBondContact O-N 2.65Å; N406-L409 WeakPolarHBondContact O-CB 3.37Å; N406-L409 PolarHBondContact O-N 3.4Å; N406-L409 VanDerWaalsContact O-N 3.15Å; N406-I410 VanDerWaalsContact O-CG1 3.3Å; N406-I410 WeakPolarHBondContact O-CG1 3.19Å; N406-I410 PolarHBondContact O-N 3Å; N406-V425 WeakPolarHBondContact OD1-CB 3.46Å; N406-V425 PolarHBondContact OD1-N 3.46Å; N406-L426 VanDerWaalsContact OD1-CB 3.23Å; N406-L426 WeakPolarHBondContact OD1-CB 3.48Å; N406-L426 WeakPolarHBondContact OD1-CD1 3.37Å; N406-L426 WeakPolarHBondContact OD1-CG 3.32Å; N406-L426 PolarHBondContact OD1-N 3.39Å; N406-E427 PolarHBondContact ND2-OE1 3.47Å; N406-E427 PolarHBondContact ND2-OE2 3.25Å; N406-E427 VanDerWaalsContact ND2-OE2 3.1Å
407	Q	96.1	Very high	98	Very high	76 Å²	76	34.6 Å²	34.6	36%	0.355	19%	0.19	S	C	.	.	H	α-helix	trans	-63	-37.9	-179.5	-167.7	60.9	52.7	0	0	112.8	T405 I410 N411	T405-Q407 PolarHBondContact O-N 3.29Å; Q407-I410 PolarHBondContact O-N 3.42Å; Q407-N411 PolarHBondContact NE2-OD1 2.95Å; Q407-N411 VanDerWaalsContact O-CB 3.29Å; Q407-N411 WeakPolarHBondContact O-CB 3.44Å; Q407-N411 PolarHBondContact O-N 3.39Å; Q407-N411 PolarHBondContact O-ND2 3.08Å; Q407-N411 PolarHBondContact O-OD1 3.15Å
408	F	97.9	Very high	97.9	Very high	17 Å²	17	39.5 Å²	39.5	8%	0.075	22%	0.216	C	C	.	.	H	α-helix	trans	-62.7	-44.2	174	176.9	-86.5	0	0	0	111.5	V404 T405 N406 I410 N411 T412 Q540 K543 E544 L547	V404-F408 HydrophobicContact CB-CB 4.13Å; V404-F408 HydrophobicContact CB-CD1 3.59Å; V404-F408 HydrophobicContact CB-CE1 4.2Å; V404-F408 HydrophobicContact CB-CG 3.93Å; V404-F408 HydrophobicContact CG1-CD1 3.86Å; V404-F408 HydrophobicContact CG1-CE1 3.99Å; V404-F408 HydrophobicContact CG1-CG 4.23Å; V404-F408 HydrophobicContact CG1-CZ 4.46Å; V404-F408 HydrophobicContact CG2-CD1 3.58Å; V404-F408 HydrophobicContact CG2-CE1 4.09Å; V404-F408 HydrophobicContact CG2-CG 4.38Å; T405-F408 WeakPolarHBondContact O-CB 3.06Å; T405-F408 PolarHBondContact O-N 3.06Å; T405-F408 VanDerWaalsContact O-N 3.12Å; T405-F408 PolarHBondContact OG1-N 2.8Å; N406-F408 VanDerWaalsContact C-N 3.34Å; N406-F408 PolarHBondContact O-N 2.65Å; F408-I410 VanDerWaalsContact C-N 3.32Å; F408-I410 PolarHBondContact O-N 3.23Å; F408-N411 PolarHBondContact O-N 3.45Å; F408-T412 HydrophobicContact CD1-CG2 4.27Å; F408-T412 HydrophobicContact CD2-CG2 4.42Å; F408-T412 HydrophobicContact CE1-CG2 3.89Å; F408-T412 HydrophobicContact CE2-CG2 4.05Å; F408-T412 HydrophobicContact CZ-CG2 3.77Å; F408-T412 WeakPolarHBondContact O-CB 3.2Å; F408-T412 WeakPolarHBondContact O-CG2 3.4Å; F408-T412 PolarHBondContact O-N 2.83Å; F408-T412 PolarHBondContact O-OG1 3.03Å; F408-Q540 HydrophobicContact CB-CG 4.41Å; F408-Q540 HydrophobicContact CD2-CG 3.8Å; F408-Q540 HydrophobicContact CE2-CG 4.39Å; F408-Q540 HydrophobicContact CG-CG 4.22Å; F408-K543 HydrophobicContact CE2-CB 4.09Å; F408-K543 HydrophobicContact CZ-CB 4.05Å; F408-K543 HydrophobicContact CZ-CD 4.4Å; F408-E544 HydrophobicContact CD2-CG 3.6Å; F408-E544 HydrophobicContact CE2-CG 3.67Å; F408-L547 HydrophobicContact CE2-CD1 4.32Å; F408-L547 HydrophobicContact CZ-CD1 3.98Å
409	L	98.3	Very high	97.9	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-61.8	-41.2	178	-61.5	179	0	0	0	111.7	V404 T405 N406 T412 G413 H414 L416 A417 V425 L426	V404-L409 HydrophobicContact CG2-CD2 3.76Å; V404-L409 HydrophobicContact CG2-CG 4.28Å; T405-L409 PolarHBondContact O-N 2.88Å; T405-L409 VanDerWaalsContact O-N 3.17Å; N406-L409 WeakPolarHBondContact O-CB 3.37Å; N406-L409 PolarHBondContact O-N 3.4Å; N406-L409 VanDerWaalsContact O-N 3.15Å; L409-T412 PolarHBondContact O-OG1 3.09Å; L409-G413 PolarHBondContact O-N 3.06Å; L409-H414 HydrophobicContact CB-CB 4.09Å; L409-H414 HydrophobicContact CD2-CB 3.93Å; L409-H414 WeakPolarHBondContact O-CB 3.3Å; L409-H414 PolarHBondContact O-N 3.11Å; L409-L416 HydrophobicContact CD1-CD1 4.44Å; L409-A417 HydrophobicContact CB-CB 4.25Å; L409-A417 WeakPolarHBondContact O-CB 2.98Å; L409-V425 HydrophobicContact CD1-CG1 3.8Å; L409-L426 HydrophobicContact CD1-CD1 4.46Å; L409-L426 HydrophobicContact CD1-CD2 3.69Å; L409-L426 HydrophobicContact CD1-CG 3.84Å
410	I	96.3	Very high	97.8	Very high	45 Å²	45	45.2 Å²	45.2	23%	0.231	24%	0.241	C	C	.	.	H	α-helix	trans	-65.3	-50.7	176.8	-65	163.3	0	0	0	110.4	N406 Q407 F408 T412 G413 A417 D422 V425	N406-I410 VanDerWaalsContact O-CG1 3.3Å; N406-I410 WeakPolarHBondContact O-CG1 3.19Å; N406-I410 PolarHBondContact O-N 3Å; Q407-I410 PolarHBondContact O-N 3.42Å; F408-I410 VanDerWaalsContact C-N 3.32Å; F408-I410 PolarHBondContact O-N 3.23Å; I410-T412 PolarHBondContact O-N 2.67Å; I410-G413 PolarHBondContact O-N 3.06Å; I410-A417 HydrophobicContact CG1-CB 4.12Å; I410-D422 HydrophobicContact CD1-CB 3.83Å; I410-D422 HydrophobicContact CG1-CB 3.85Å; I410-D422 HydrophobicContact CG2-CB 4.42Å; I410-V425 HydrophobicContact CG1-CG2 4.45Å
411	N	95.7	Very high	97.6	Very high	87 Å²	87	49.2 Å²	49.2	47%	0.465	26%	0.262	S	S	.	.	H	α-helix	trans	-61.6	-31.6	-177.8	-72.5	-9.2	0	0	0	112.9	Q407 F408	Q407-N411 PolarHBondContact NE2-OD1 2.95Å; Q407-N411 VanDerWaalsContact O-CB 3.29Å; Q407-N411 WeakPolarHBondContact O-CB 3.44Å; Q407-N411 PolarHBondContact O-N 3.39Å; Q407-N411 PolarHBondContact O-ND2 3.08Å; Q407-N411 PolarHBondContact O-OD1 3.15Å; F408-N411 PolarHBondContact O-N 3.45Å
412	T	97.9	Very high	97.5	Very high	49 Å²	49	50.8 Å²	50.8	30%	0.301	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-5.5	178.4	55.1	0	0	0	0	113.6	F408 L409 I410 H414 L547 L549	F408-T412 HydrophobicContact CD1-CG2 4.27Å; F408-T412 HydrophobicContact CD2-CG2 4.42Å; F408-T412 HydrophobicContact CE1-CG2 3.89Å; F408-T412 HydrophobicContact CE2-CG2 4.05Å; F408-T412 HydrophobicContact CZ-CG2 3.77Å; F408-T412 WeakPolarHBondContact O-CB 3.2Å; F408-T412 WeakPolarHBondContact O-CG2 3.4Å; F408-T412 PolarHBondContact O-N 2.83Å; F408-T412 PolarHBondContact O-OG1 3.03Å; L409-T412 PolarHBondContact O-OG1 3.09Å; I410-T412 PolarHBondContact O-N 2.67Å; T412-H414 PolarHBondContact O-N 3.47Å; T412-L547 HydrophobicContact CG2-CD1 3.82Å; T412-L549 HydrophobicContact CG2-CD1 3.78Å
413	G	96.8	Very high	97.2	Very high	40 Å²	40	49.4 Å²	49.4	41%	0.412	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	35.2	-173.8	0	0	0	0	0	112.2	L409 I410	L409-G413 PolarHBondContact O-N 3.06Å; I410-G413 PolarHBondContact O-N 3.06Å
414	H	98.4	Very high	97	Very high	81 Å²	81	49.4 Å²	49.4	38%	0.375	26%	0.262	S	S	.	.			trans	-62.4	149.4	-177.3	-172.2	-95.5	0	0	0	111.5	L409 T412 L416 A417 L418	L409-H414 HydrophobicContact CB-CB 4.09Å; L409-H414 HydrophobicContact CD2-CB 3.93Å; L409-H414 WeakPolarHBondContact O-CB 3.3Å; L409-H414 PolarHBondContact O-N 3.11Å; T412-H414 PolarHBondContact O-N 3.47Å; H414-L416 PolarHBondContact ND1-N 3.21Å; H414-L416 PolarHBondContact O-N 3.12Å; H414-L416 VanDerWaalsContact O-N 3.13Å; H414-A417 WeakPolarHBondContact O-CA 3.28Å; H414-A417 WeakPolarHBondContact O-CB 3.41Å; H414-A417 PolarHBondContact O-N 2.66Å; H414-L418 PolarHBondContact O-N 2.91Å; H414-L418 VanDerWaalsContact O-N 3.07Å
415	E	98.4	Very high	97	Very high	131 Å²	131	49.2 Å²	49.2	61%	0.612	26%	0.261	S	S	*	.	H	α-helix	trans	-54.2	-38.4	-176.7	-172.9	63.3	-155.7	0	0	112.7	L418 Q419	E415-L418 PolarHBondContact O-N 3.41Å; E415-Q419 VanDerWaalsContact O-CB 3.27Å; E415-Q419 WeakPolarHBondContact O-CB 3.43Å; E415-Q419 PolarHBondContact O-N 3.49Å
416	L	98.3	Very high	97	Very high	20 Å²	20	47.2 Å²	47.2	11%	0.105	25%	0.249	C	C	.	.	H	α-helix	trans	-62.8	-42.1	175.5	-66.1	176.3	0	0	0	112.3	L409 H414 L418 Q419 Y420 V425 H429	L409-L416 HydrophobicContact CD1-CD1 4.44Å; H414-L416 PolarHBondContact ND1-N 3.21Å; H414-L416 PolarHBondContact O-N 3.12Å; H414-L416 VanDerWaalsContact O-N 3.13Å; L416-L418 VanDerWaalsContact C-N 3.33Å; L416-L418 PolarHBondContact O-N 3.37Å; L416-Q419 PolarHBondContact O-N 3.47Å; L416-Y420 HydrophobicContact CB-CD2 4.49Å; L416-Y420 HydrophobicContact CD2-CE2 4.03Å; L416-Y420 WeakPolarHBondContact O-CB 3.23Å; L416-Y420 VanDerWaalsContact O-CD2 3.28Å; L416-Y420 WeakPolarHBondContact O-CD2 3.42Å; L416-Y420 PolarHBondContact O-N 2.93Å; L416-V425 VanDerWaalsContact C-CG1 3.48Å; L416-V425 HydrophobicContact CB-CG1 3.65Å; L416-H429 HydrophobicContact CD2-CB 4.32Å; L416-H429 WeakPolarHBondContact CD2-ND1 3.42Å
417	A	97.8	Very high	97.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.8	-40.8	177.9	0	0	0	0	0	110.8	L409 I410 H414 N421 D422 V425	L409-A417 HydrophobicContact CB-CB 4.25Å; L409-A417 WeakPolarHBondContact O-CB 2.98Å; I410-A417 HydrophobicContact CG1-CB 4.12Å; H414-A417 WeakPolarHBondContact O-CA 3.28Å; H414-A417 WeakPolarHBondContact O-CB 3.41Å; H414-A417 PolarHBondContact O-N 2.66Å; A417-N421 WeakPolarHBondContact O-CA 3.46Å; A417-N421 PolarHBondContact O-N 2.8Å; A417-D422 PolarHBondContact O-N 3.32Å; A417-V425 HydrophobicContact CB-CG1 4.46Å; A417-V425 HydrophobicContact CB-CG2 4.36Å
418	L	97.4	Very high	97.2	Very high	103 Å²	103	45.1 Å²	45.1	54%	0.539	24%	0.239	S	C	.	.	H	α-helix	trans	-63.3	-44.5	173.5	-60.6	179.3	0	0	0	112.1	H414 E415 L416	H414-L418 PolarHBondContact O-N 2.91Å; H414-L418 VanDerWaalsContact O-N 3.07Å; E415-L418 PolarHBondContact O-N 3.41Å; L416-L418 VanDerWaalsContact C-N 3.33Å; L416-L418 PolarHBondContact O-N 3.37Å
419	Q	97.9	Very high	97.3	Very high	94 Å²	94	45 Å²	45	44%	0.439	24%	0.239	S	C	.	.	H	α-helix	trans	-63.7	-42.1	-179.4	179.4	178.4	-7	0	0	112	E415 L416	E415-Q419 VanDerWaalsContact O-CB 3.27Å; E415-Q419 WeakPolarHBondContact O-CB 3.43Å; E415-Q419 PolarHBondContact O-N 3.49Å; L416-Q419 PolarHBondContact O-N 3.47Å
420	Y	96.9	Very high	97.3	Very high	36 Å²	36	44.9 Å²	44.9	14%	0.141	24%	0.238	C	C	.	.	H	α-helix	trans	-99	7.9	-176.4	-62.8	-61.5	0	0	0	113.9	L416 D422 A423 V425 N428 H429 Y432	L416-Y420 HydrophobicContact CB-CD2 4.49Å; L416-Y420 HydrophobicContact CD2-CE2 4.03Å; L416-Y420 WeakPolarHBondContact O-CB 3.23Å; L416-Y420 VanDerWaalsContact O-CD2 3.28Å; L416-Y420 WeakPolarHBondContact O-CD2 3.42Å; L416-Y420 PolarHBondContact O-N 2.93Å; Y420-D422 VanDerWaalsContact C-N 3.28Å; Y420-D422 PolarHBondContact O-N 3.13Å; Y420-A423 PolarHBondContact O-N 2.99Å; Y420-V425 HydrophobicContact CD2-CG1 4.25Å; Y420-V425 WeakPolarHBondContact CD2-O 3.46Å; Y420-N428 HydrophobicContact CD1-CB 3.52Å; Y420-N428 HydrophobicContact CD2-CB 4.28Å; Y420-N428 HydrophobicContact CE1-CB 3.59Å; Y420-N428 HydrophobicContact CE2-CB 4.35Å; Y420-N428 HydrophobicContact CG-CB 3.88Å; Y420-H429 HydrophobicContact CE2-CB 3.8Å; Y420-Y432 WeakPolarHBondContact OH-CB 3.28Å
421	N	96.1	Very high	97.4	Very high	119 Å²	119	43.1 Å²	43.1	64%	0.636	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	44.5	176.1	-52.5	-85.7	0	0	0	112.9	A417 A423	A417-N421 WeakPolarHBondContact O-CA 3.46Å; A417-N421 PolarHBondContact O-N 2.8Å; N421-A423 PolarHBondContact O-N 3Å; N421-A423 VanDerWaalsContact O-N 3.11Å
422	D	95.3	Very high	97.6	Very high	44 Å²	44	43.9 Å²	43.9	24%	0.235	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	7.8	178.6	-47.7	-32.8	0	0	0	116	K160 I410 A417 Y420	K160-D422 IonicContact NZ-OD2 3.37Å; K160-D422 PolarHBondContact NZ-OD2 3.04Å; I410-D422 HydrophobicContact CD1-CB 3.83Å; I410-D422 HydrophobicContact CG1-CB 3.85Å; I410-D422 HydrophobicContact CG2-CB 4.42Å; A417-D422 PolarHBondContact O-N 3.32Å; Y420-D422 VanDerWaalsContact C-N 3.28Å; Y420-D422 PolarHBondContact O-N 3.13Å
423	A	92.6	Very high	97.6	Very high	8 Å²	8	43 Å²	43	7%	0.066	22%	0.22	C	C	.	.	S	Bend	trans	-109.4	116.2	-174.5	0	0	0	0	0	112.4	T164 Y420 N421 V425 N428	T164-A423 HydrophobicContact CG2-CB 3.36Å; Y420-A423 PolarHBondContact O-N 2.99Å; N421-A423 PolarHBondContact O-N 3Å; N421-A423 VanDerWaalsContact O-N 3.11Å; A423-V425 VanDerWaalsContact C-N 3.26Å; A423-V425 PolarHBondContact O-N 3.24Å; A423-N428 PolarHBondContact O-ND2 3.47Å; A423-N428 VanDerWaalsContact O-ND2 3.08Å
424	S	95.8	Very high	97.7	Very high	6 Å²	6	41.1 Å²	41.1	4%	0.042	20%	0.2	C	C	.	.	S	Bend	trans	41.5	55.4	-175.6	-55	0	0	0	0	111.3	L426 E427 N428 D469 K472	S424-L426 PolarHBondContact O-N 3.17Å; S424-E427 WeakPolarHBondContact CA-OE2 3.35Å; S424-E427 WeakPolarHBondContact CB-OE2 3.38Å; S424-E427 PolarHBondContact O-N 3.02Å; S424-N428 WeakPolarHBondContact O-CB 3.19Å; S424-N428 PolarHBondContact O-N 3.02Å; S424-N428 PolarHBondContact O-ND2 2.93Å; S424-D469 WeakPolarHBondContact CA-OD2 3.33Å; S424-D469 VanDerWaalsContact CB-OD2 3.28Å; S424-D469 WeakPolarHBondContact CB-OD2 3.43Å; S424-D469 PolarHBondContact OG-OD2 3.09Å; S424-K472 WeakPolarHBondContact OG-CE 3.46Å; S424-K472 PolarHBondContact OG-NZ 3.12Å; S424-K472 VanDerWaalsContact OG-NZ 3.12Å
425	V	98.1	Very high	97.7	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-60.6	-50.6	-165	174.3	0	0	0	0	110.8	N406 L409 I410 L416 A417 Y420 A423 H429	N406-V425 WeakPolarHBondContact OD1-CB 3.46Å; N406-V425 PolarHBondContact OD1-N 3.46Å; L409-V425 HydrophobicContact CD1-CG1 3.8Å; I410-V425 HydrophobicContact CG1-CG2 4.45Å; L416-V425 VanDerWaalsContact C-CG1 3.48Å; L416-V425 HydrophobicContact CB-CG1 3.65Å; A417-V425 HydrophobicContact CB-CG1 4.46Å; A417-V425 HydrophobicContact CB-CG2 4.36Å; Y420-V425 HydrophobicContact CD2-CG1 4.25Å; Y420-V425 WeakPolarHBondContact CD2-O 3.46Å; A423-V425 VanDerWaalsContact C-N 3.26Å; A423-V425 PolarHBondContact O-N 3.24Å; V425-H429 WeakPolarHBondContact O-CB 3.34Å; V425-H429 PolarHBondContact O-N 3.46Å
426	L	98.7	Very high	97.7	Very high	5 Å²	5	37 Å²	37	3%	0.026	18%	0.179	C	C	.	.	H	α-helix	trans	-68.7	-46.3	-179.8	-75.1	170.5	0	0	0	111.2	P402 V404 N406 L409 S424 N428 H429 H430	P402-L426 VanDerWaalsContact CD-CD2 3.46Å; P402-L426 HydrophobicContact CG-CD2 3.91Å; V404-L426 WeakPolarHBondContact O-CD1 3.11Å; N406-L426 VanDerWaalsContact OD1-CB 3.23Å; N406-L426 WeakPolarHBondContact OD1-CB 3.48Å; N406-L426 WeakPolarHBondContact OD1-CD1 3.37Å; N406-L426 WeakPolarHBondContact OD1-CG 3.32Å; N406-L426 PolarHBondContact OD1-N 3.39Å; L409-L426 HydrophobicContact CD1-CD1 4.46Å; L409-L426 HydrophobicContact CD1-CD2 3.69Å; L409-L426 HydrophobicContact CD1-CG 3.84Å; S424-L426 PolarHBondContact O-N 3.17Å; L426-N428 VanDerWaalsContact C-N 3.33Å; L426-N428 PolarHBondContact O-N 3.45Å; L426-H429 CarbonylContact O-C 3.06Å; L426-H429 WeakPolarHBondContact O-CA 3.39Å; L426-H429 VanDerWaalsContact O-CB 3.26Å; L426-H429 WeakPolarHBondContact O-CB 3.5Å; L426-H429 PolarHBondContact O-N 2.99Å; L426-H430 WeakPolarHBondContact CB-NE2 3.39Å; L426-H430 PolarHBondContact O-CD2 2.86Å; L426-H430 PolarHBondContact O-N 3.24Å; L426-H430 PolarHBondContact O-ND1 3.47Å; L426-H430 PolarHBondContact O-NE2 3.32Å
427	E	98.6	Very high	97.7	Very high	16 Å²	16	36.2 Å²	36.2	8%	0.075	18%	0.175	C	C	.	.	H	α-helix	trans	-64.2	-38.2	-176.1	-57	76.6	-168.9	0	0	111.6	N406 S424 H429 L431 V465 L466 D469	N406-E427 PolarHBondContact ND2-OE1 3.47Å; N406-E427 PolarHBondContact ND2-OE2 3.25Å; N406-E427 VanDerWaalsContact ND2-OE2 3.1Å; S424-E427 WeakPolarHBondContact CA-OE2 3.35Å; S424-E427 WeakPolarHBondContact CB-OE2 3.38Å; S424-E427 PolarHBondContact O-N 3.02Å; E427-H429 VanDerWaalsContact C-N 3.35Å; E427-L431 WeakPolarHBondContact O-CG 3.29Å; E427-L431 PolarHBondContact O-N 3.01Å; E427-L431 VanDerWaalsContact O-N 3.14Å; E427-V465 HydrophobicContact CB-CG1 4.4Å; E427-L466 HydrophobicContact CB-CD2 4.05Å; E427-D469 HydrophobicContact CG-CB 3.88Å; E427-D469 WeakPolarHBondContact OE1-CA 3.36Å
428	N	98.4	Very high	97.8	Very high	44 Å²	44	36.9 Å²	36.9	24%	0.235	18%	0.178	C	C	.	.	H	α-helix	trans	-65.6	-37.2	170.7	-83.1	-69.9	0	0	0	112.5	Y420 A423 S424 L426 Y432	Y420-N428 HydrophobicContact CD1-CB 3.52Å; Y420-N428 HydrophobicContact CD2-CB 4.28Å; Y420-N428 HydrophobicContact CE1-CB 3.59Å; Y420-N428 HydrophobicContact CE2-CB 4.35Å; Y420-N428 HydrophobicContact CG-CB 3.88Å; A423-N428 PolarHBondContact O-ND2 3.47Å; A423-N428 VanDerWaalsContact O-ND2 3.08Å; S424-N428 WeakPolarHBondContact O-CB 3.19Å; S424-N428 PolarHBondContact O-N 3.02Å; S424-N428 PolarHBondContact O-ND2 2.93Å; L426-N428 VanDerWaalsContact C-N 3.33Å; L426-N428 PolarHBondContact O-N 3.45Å; N428-Y432 WeakPolarHBondContact O-CB 3.12Å; N428-Y432 PolarHBondContact O-N 2.9Å
429	H	98.8	Very high	97.8	Very high	13 Å²	13	37.5 Å²	37.5	6%	0.06	19%	0.186	C	C	.	.	H	α-helix	trans	-66.9	-45.6	176.6	-175.8	57.1	0	0	0	111.9	D400 L416 Y420 V425 L426 E427 L431 Y432 M433	D400-H429 IonicContact OD2-CD2 2.86Å; D400-H429 IonicContact OD2-CE1 3.3Å; D400-H429 PolarHBondContact OD2-CE1 3.15Å; D400-H429 IonicContact OD2-NE2 2.86Å; D400-H429 PolarHBondContact OD2-NE2 3.17Å; L416-H429 HydrophobicContact CD2-CB 4.32Å; L416-H429 WeakPolarHBondContact CD2-ND1 3.42Å; Y420-H429 HydrophobicContact CE2-CB 3.8Å; V425-H429 WeakPolarHBondContact O-CB 3.34Å; V425-H429 PolarHBondContact O-N 3.46Å; L426-H429 CarbonylContact O-C 3.06Å; L426-H429 WeakPolarHBondContact O-CA 3.39Å; L426-H429 VanDerWaalsContact O-CB 3.26Å; L426-H429 WeakPolarHBondContact O-CB 3.5Å; L426-H429 PolarHBondContact O-N 2.99Å; E427-H429 VanDerWaalsContact C-N 3.35Å; H429-L431 VanDerWaalsContact C-N 3.33Å; H429-L431 PolarHBondContact O-N 3.29Å; H429-Y432 WeakPolarHBondContact O-CB 3.46Å; H429-Y432 PolarHBondContact O-N 3.33Å; H429-Y432 VanDerWaalsContact O-N 3.09Å; H429-M433 VanDerWaalsContact CE1-CG 3.45Å; H429-M433 WeakPolarHBondContact CE1-CG 3.44Å; H429-M433 WeakPolarHBondContact O-CG 3.38Å; H429-M433 PolarHBondContact O-N 3.13Å
430	H	98.9	Very high	97.9	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-55.7	-48.4	175.7	-56.2	-35.6	0	0	0	110.9	H397 D398 V399 H401 L426 Y432 M433 A434 V465	H397-H430 VanDerWaalsContact O-CB 3.25Å; H397-H430 WeakPolarHBondContact O-CB 2.94Å; H397-H430 PolarHBondContact O-CD2 3.01Å; D398-H430 IonicContact OD1-CD2 3.4Å; D398-H430 IonicContact OD1-NE2 2.7Å; V399-H430 HydrophobicContact CG1-CB 4.31Å; V399-H430 WeakPolarHBondContact CG1-O 3.38Å; V399-H430 PolarHBondContact O-ND1 3.07Å; H401-H430 AromaticContact CD2-CE1 3.89Å; H401-H430 AromaticContact CD2-NE2 3.75Å; L426-H430 WeakPolarHBondContact CB-NE2 3.39Å; L426-H430 PolarHBondContact O-CD2 2.86Å; L426-H430 PolarHBondContact O-N 3.24Å; L426-H430 PolarHBondContact O-ND1 3.47Å; L426-H430 PolarHBondContact O-NE2 3.32Å; H430-Y432 PolarHBondContact O-N 3.4Å; H430-M433 PolarHBondContact O-N 3Å; H430-A434 WeakPolarHBondContact O-CB 3.49Å; H430-A434 PolarHBondContact O-N 3.13Å; H430-V465 HydrophobicContact CB-CG1 4.39Å
431	L	98.9	Very high	97.9	Very high	8 Å²	8	42.6 Å²	42.6	4%	0.042	21%	0.209	C	C	.	.	H	α-helix	trans	-58.9	-47.8	173.6	-76.7	166.3	0	0	0	112.3	I396 E427 H429 M433 F435 V461 I462 V465 L466	I396-L431 HydrophobicContact CD1-CD2 4.45Å; E427-L431 WeakPolarHBondContact O-CG 3.29Å; E427-L431 PolarHBondContact O-N 3.01Å; E427-L431 VanDerWaalsContact O-N 3.14Å; H429-L431 VanDerWaalsContact C-N 3.33Å; H429-L431 PolarHBondContact O-N 3.29Å; L431-M433 PolarHBondContact O-N 3.43Å; L431-F435 HydrophobicContact CD2-CD2 4.31Å; L431-F435 HydrophobicContact CD2-CE2 3.81Å; L431-F435 WeakPolarHBondContact O-CB 3.38Å; L431-F435 WeakPolarHBondContact O-CD2 3.49Å; L431-F435 PolarHBondContact O-N 3.2Å; L431-V461 HydrophobicContact CD2-CG1 4.03Å; L431-I462 HydrophobicContact CD1-CB 4.32Å; L431-I462 HydrophobicContact CD1-CG1 4.25Å; L431-I462 HydrophobicContact CD1-CG2 4.18Å; L431-I462 HydrophobicContact CD2-CG1 4.06Å; L431-V465 HydrophobicContact CD1-CB 4.08Å; L431-V465 HydrophobicContact CD1-CG1 4.28Å; L431-V465 HydrophobicContact CD2-CB 3.77Å; L431-V465 HydrophobicContact CD2-CG1 4.28Å; L431-V465 HydrophobicContact CD2-CG2 3.83Å; L431-V465 HydrophobicContact CG-CB 3.78Å; L431-V465 HydrophobicContact CG-CG1 3.82Å; L431-V465 HydrophobicContact CG-CG2 4.31Å; L431-L466 HydrophobicContact CD1-CD2 4.02Å; L431-L466 HydrophobicContact CD1-CG 3.88Å
432	Y	98.8	Very high	98	Very high	102 Å²	102	40.6 Å²	40.6	40%	0.4	20%	0.198	S	C	.	.	H	α-helix	trans	-58.2	-49.5	179.3	162.6	-107.2	0	0	0	111.4	Y420 N428 H429 H430 K436	Y420-Y432 WeakPolarHBondContact OH-CB 3.28Å; N428-Y432 WeakPolarHBondContact O-CB 3.12Å; N428-Y432 PolarHBondContact O-N 2.9Å; H429-Y432 WeakPolarHBondContact O-CB 3.46Å; H429-Y432 PolarHBondContact O-N 3.33Å; H429-Y432 VanDerWaalsContact O-N 3.09Å; H430-Y432 PolarHBondContact O-N 3.4Å; Y432-K436 HydrophobicContact CE1-CD 4.21Å; Y432-K436 HydrophobicContact CE2-CD 4.17Å; Y432-K436 WeakPolarHBondContact O-CB 3.48Å; Y432-K436 PolarHBondContact O-N 3.29Å; Y432-K436 PolarHBondContact OH-NZ 3.11Å; Y432-K436 VanDerWaalsContact OH-NZ 3.16Å
433	M	98.8	Very high	98.1	Very high	32 Å²	32	38.6 Å²	38.6	16%	0.158	19%	0.187	C	C	.	.	H	α-helix	trans	-62.7	-49.6	-178.4	-71.3	-57.9	-69.8	0	0	111.5	T349 V399 D400 H429 H430 L431 F435 K436 I437	T349-M433 HydrophobicContact CG2-CE 3.72Å; V399-M433 HydrophobicContact CG1-CB 4.03Å; D400-M433 HydrophobicContact CB-CB 4.45Å; D400-M433 HydrophobicContact CB-CE 4.43Å; D400-M433 HydrophobicContact CB-CG 3.97Å; H429-M433 VanDerWaalsContact CE1-CG 3.45Å; H429-M433 WeakPolarHBondContact CE1-CG 3.44Å; H429-M433 WeakPolarHBondContact O-CG 3.38Å; H429-M433 PolarHBondContact O-N 3.13Å; H430-M433 PolarHBondContact O-N 3Å; L431-M433 PolarHBondContact O-N 3.43Å; M433-F435 PolarHBondContact O-N 3.47Å; M433-K436 WeakPolarHBondContact O-CB 3.44Å; M433-K436 PolarHBondContact O-N 3.35Å; M433-I437 VanDerWaalsContact O-CG1 3.28Å; M433-I437 WeakPolarHBondContact O-CG1 3.12Å; M433-I437 PolarHBondContact O-N 2.72Å
434	A	98.8	Very high	98.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.6	-49.4	178.8	0	0	0	0	0	113	Y342 I396 V399 H430 K436 I437 L438	Y342-A434 PolarHBondContact OH-O 3.05Å; I396-A434 HydrophobicContact CB-CB 3.7Å; I396-A434 HydrophobicContact CD1-CB 3.36Å; I396-A434 HydrophobicContact CG1-CB 4.09Å; I396-A434 HydrophobicContact CG2-CB 3.82Å; V399-A434 HydrophobicContact CG1-CB 4.05Å; H430-A434 WeakPolarHBondContact O-CB 3.49Å; H430-A434 PolarHBondContact O-N 3.13Å; A434-K436 VanDerWaalsContact C-N 3.28Å; A434-K436 PolarHBondContact O-N 3.42Å; A434-I437 PolarHBondContact O-N 2.73Å; A434-L438 PolarHBondContact O-N 3.27Å
435	F	98.7	Very high	98.6	Very high	28 Å²	28	40.1 Å²	40.1	12%	0.123	19%	0.194	C	C	.	.	H	α-helix	trans	-69.3	-27.3	179.4	-79.4	-69.6	0	0	0	112.7	F392 L431 M433 L438 R458 V461 I462	F392-F435 HydrophobicContact CE1-CZ 4.45Å; L431-F435 HydrophobicContact CD2-CD2 4.31Å; L431-F435 HydrophobicContact CD2-CE2 3.81Å; L431-F435 WeakPolarHBondContact O-CB 3.38Å; L431-F435 WeakPolarHBondContact O-CD2 3.49Å; L431-F435 PolarHBondContact O-N 3.2Å; M433-F435 PolarHBondContact O-N 3.47Å; F435-L438 HydrophobicContact CD1-CD1 3.69Å; F435-L438 HydrophobicContact CE1-CD1 4.24Å; F435-R458 HydrophobicContact CE1-CB 4.33Å; F435-R458 HydrophobicContact CE1-CG 4.11Å; F435-R458 HydrophobicContact CE2-CG 4.49Å; F435-R458 HydrophobicContact CZ-CB 4.3Å; F435-R458 HydrophobicContact CZ-CG 3.95Å; F435-V461 HydrophobicContact CE2-CB 4.5Å; F435-V461 HydrophobicContact CE2-CG1 3.96Å; F435-V461 HydrophobicContact CZ-CB 4.05Å; F435-V461 HydrophobicContact CZ-CG1 3.83Å; F435-I462 HydrophobicContact CE2-CG1 4.22Å
436	K	98.7	Very high	98.6	Very high	98 Å²	98	40.3 Å²	40.3	43%	0.426	20%	0.195	S	C	.	.	H	α-helix	trans	-69.3	-39.6	172.4	-179.7	-179.8	177.4	-179.9	0	111.5	Y432 M433 A434 L438 T439	Y432-K436 HydrophobicContact CE1-CD 4.21Å; Y432-K436 HydrophobicContact CE2-CD 4.17Å; Y432-K436 WeakPolarHBondContact O-CB 3.48Å; Y432-K436 PolarHBondContact O-N 3.29Å; Y432-K436 PolarHBondContact OH-NZ 3.11Å; Y432-K436 VanDerWaalsContact OH-NZ 3.16Å; M433-K436 WeakPolarHBondContact O-CB 3.44Å; M433-K436 PolarHBondContact O-N 3.35Å; A434-K436 VanDerWaalsContact C-N 3.28Å; A434-K436 PolarHBondContact O-N 3.42Å; K436-L438 PolarHBondContact O-N 3.15Å; K436-T439 WeakPolarHBondContact O-CB 3.38Å; K436-T439 PolarHBondContact O-N 2.95Å; K436-T439 PolarHBondContact O-OG1 3.32Å
437	I	98.8	Very high	98.6	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.015	22%	0.215	C	C	.	.	H	α-helix	trans	-59.7	-33.5	178	-67.4	162.7	0	0	0	111.2	Y342 R345 V346 T349 M433 A434 T439 E440 C443	Y342-I437 HydrophobicContact CD2-CB 4.45Å; Y342-I437 HydrophobicContact CD2-CG2 3.7Å; Y342-I437 HydrophobicContact CE2-CB 3.94Å; Y342-I437 HydrophobicContact CE2-CG2 3.65Å; R345-I437 HydrophobicContact CB-CG2 3.5Å; R345-I437 VanDerWaalsContact CB-CG2 3.5Å; R345-I437 HydrophobicContact CG-CG2 4.48Å; V346-I437 HydrophobicContact CG2-CD1 4.03Å; V346-I437 HydrophobicContact CG2-CG2 4.47Å; T349-I437 HydrophobicContact CG2-CD1 4.46Å; M433-I437 VanDerWaalsContact O-CG1 3.28Å; M433-I437 WeakPolarHBondContact O-CG1 3.12Å; M433-I437 PolarHBondContact O-N 2.72Å; A434-I437 PolarHBondContact O-N 2.73Å; I437-T439 PolarHBondContact O-N 3.01Å; I437-T439 VanDerWaalsContact O-N 3.1Å; I437-E440 VanDerWaalsContact O-CB 3.28Å; I437-E440 WeakPolarHBondContact O-CB 3.41Å; I437-E440 WeakPolarHBondContact O-CG 3.49Å; I437-E440 PolarHBondContact O-N 2.91Å; I437-C443 VanDerWaalsContact O-CB 3.28Å; I437-C443 WeakPolarHBondContact O-CB 3.48Å
438	L	98.6	Very high	98.5	Very high	13 Å²	13	47.4 Å²	47.4	7%	0.068	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-22.9	173.4	-66.4	170	0	0	0	113.6	Y342 A434 F435 K436 E440 D444 I445 F446	Y342-L438 HydrophobicContact CD2-CD2 3.62Å; Y342-L438 HydrophobicContact CD2-CG 4.23Å; Y342-L438 HydrophobicContact CE2-CB 4.45Å; Y342-L438 HydrophobicContact CE2-CD2 3.38Å; Y342-L438 HydrophobicContact CE2-CG 3.6Å; Y342-L438 HydrophobicContact CG-CD2 4.4Å; A434-L438 PolarHBondContact O-N 3.27Å; F435-L438 HydrophobicContact CD1-CD1 3.69Å; F435-L438 HydrophobicContact CE1-CD1 4.24Å; K436-L438 PolarHBondContact O-N 3.15Å; L438-E440 VanDerWaalsContact C-N 3.34Å; L438-D444 WeakPolarHBondContact O-CB 3.4Å; L438-D444 PolarHBondContact O-N 2.67Å; L438-I445 HydrophobicContact CD2-CG1 3.71Å; L438-F446 HydrophobicContact CD1-CD2 3.81Å; L438-F446 HydrophobicContact CD1-CE2 4.02Å; L438-F446 HydrophobicContact CD2-CD2 4.1Å; L438-F446 HydrophobicContact CD2-CE2 4.28Å
439	T	98.4	Very high	98.5	Very high	116 Å²	116	45.8 Å²	45.8	71%	0.712	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-11.6	178.3	73.5	0	0	0	0	113.2	K436 I437	K436-T439 WeakPolarHBondContact O-CB 3.38Å; K436-T439 PolarHBondContact O-N 2.95Å; K436-T439 PolarHBondContact O-OG1 3.32Å; I437-T439 PolarHBondContact O-N 3.01Å; I437-T439 VanDerWaalsContact O-N 3.1Å
440	E	98.5	Very high	98.3	Very high	66 Å²	66	47.4 Å²	47.4	31%	0.308	25%	0.253	S	S	.	.	S	Bend	trans	-66.1	157.8	173.9	-61.9	-178	-173.9	0	0	110.8	R345 I437 L438 D442 C443	R345-E440 WeakPolarHBondContact CG-OE2 3.45Å; R345-E440 IonicContact CZ-OE1 3.98Å; R345-E440 IonicContact CZ-OE2 3.73Å; R345-E440 IonicContact NE-OE1 3.7Å; R345-E440 IonicContact NE-OE2 3.56Å; R345-E440 PolarHBondContact NE-OE2 3.37Å; R345-E440 IonicContact NH2-OE1 3.66Å; R345-E440 PolarHBondContact NH2-OE1 3.28Å; R345-E440 IonicContact NH2-OE2 2.74Å; R345-E440 PolarHBondContact NH2-OE2 2.88Å; I437-E440 VanDerWaalsContact O-CB 3.28Å; I437-E440 WeakPolarHBondContact O-CB 3.41Å; I437-E440 WeakPolarHBondContact O-CG 3.49Å; I437-E440 PolarHBondContact O-N 2.91Å; L438-E440 VanDerWaalsContact C-N 3.34Å; E440-D442 PolarHBondContact O-N 3.33Å; E440-C443 HydrophobicContact CB-CB 4.1Å; E440-C443 PolarHBondContact O-N 2.85Å
441	K	98.1	Very high	98.2	Very high	171 Å²	171	50.3 Å²	50.3	74%	0.743	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	123.4	-174.9	-177.2	-175.1	172.8	-174.1	0	111.1	C443	K441-C443 VanDerWaalsContact C-N 3.27Å; K441-C443 PolarHBondContact O-N 3.12Å
442	D	97.7	Very high	98	Very high	77 Å²	77	55.9 Å²	55.9	41%	0.412	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	35.3	178.9	-43.7	-37.4	0	0	0	113.3	V338 R341 E440	V338-D442 WeakPolarHBondContact CG1-O 3.46Å; R341-D442 WeakPolarHBondContact CD-O 3.31Å; R341-D442 IonicContact CZ-OD2 2.67Å; R341-D442 IonicContact NH1-OD2 2.83Å; R341-D442 PolarHBondContact NH1-OD2 3.1Å; E440-D442 PolarHBondContact O-N 3.33Å
443	C	98.6	Very high	97.9	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.014	31%	0.311	C	S	.	.			trans	-114.7	-4	177.8	-69.9	0	0	0	0	114	Y342 I437 E440 K441 I445	Y342-C443 HydrophobicContact CD2-CB 4.26Å; Y342-C443 VanDerWaalsContact CD2-O 3.29Å; Y342-C443 WeakPolarHBondContact CD2-O 3.45Å; I437-C443 VanDerWaalsContact O-CB 3.28Å; I437-C443 WeakPolarHBondContact O-CB 3.48Å; E440-C443 HydrophobicContact CB-CB 4.1Å; E440-C443 PolarHBondContact O-N 2.85Å; K441-C443 VanDerWaalsContact C-N 3.27Å; K441-C443 PolarHBondContact O-N 3.12Å; C443-I445 PolarHBondContact O-N 3.49Å
444	D	98.7	Very high	97.9	Very high	43 Å²	43	59.4 Å²	59.4	23%	0.23	32%	0.32	C	S	.	.			trans	-75.7	84.4	-179.7	-170.1	1	0	0	0	111.4	L438 F446 A447 R454	L438-D444 WeakPolarHBondContact O-CB 3.4Å; L438-D444 PolarHBondContact O-N 2.67Å; D444-F446 PolarHBondContact O-N 2.83Å; D444-F446 VanDerWaalsContact O-N 3.08Å; D444-F446 PolarHBondContact OD1-N 2.86Å; D444-F446 VanDerWaalsContact OD1-N 3.12Å; D444-A447 HydrophobicContact CB-CB 4.15Å; D444-A447 VanDerWaalsContact O-CB 3.31Å; D444-A447 WeakPolarHBondContact O-CB 3.48Å; D444-A447 PolarHBondContact O-N 3.17Å; D444-A447 VanDerWaalsContact O-N 3.12Å; D444-A447 PolarHBondContact OD1-N 2.76Å; D444-R454 VanDerWaalsContact CG-NH2 3.26Å; D444-R454 IonicContact OD1-CZ 2.76Å; D444-R454 IonicContact OD1-NH2 3.97Å; D444-R454 PolarHBondContact OD1-NH2 3.07Å; D444-R454 IonicContact OD2-CZ 3.68Å; D444-R454 IonicContact OD2-NH1 2.71Å; D444-R454 IonicContact OD2-NH2 3.49Å; D444-R454 PolarHBondContact OD2-NH2 3.21Å
445	I	98.7	Very high	97.8	Very high	3 Å²	3	65.2 Å²	65.2	2%	0.015	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-12.5	177.3	64.6	166.9	0	0	0	112.9	I334 V338 F339 Y342 F392 L438 C443	I334-I445 WeakPolarHBondContact CG1-O 3.3Å; I334-I445 HydrophobicContact CG2-CB 3.88Å; I334-I445 HydrophobicContact CG2-CG2 4.29Å; V338-I445 HydrophobicContact CG1-CG2 4.08Å; F339-I445 HydrophobicContact CB-CG2 4.41Å; F339-I445 HydrophobicContact CD2-CB 4.27Å; F339-I445 HydrophobicContact CD2-CD1 4.07Å; F339-I445 HydrophobicContact CD2-CG2 3.89Å; F339-I445 HydrophobicContact CE2-CD1 4Å; Y342-I445 VanDerWaalsContact CB-CG2 3.49Å; Y342-I445 HydrophobicContact CD1-CD1 4.01Å; Y342-I445 HydrophobicContact CD1-CG1 4.48Å; Y342-I445 HydrophobicContact CD1-CG2 4.17Å; Y342-I445 HydrophobicContact CE1-CD1 4.2Å; Y342-I445 HydrophobicContact CG-CG2 3.84Å; F392-I445 HydrophobicContact CD2-CD1 3.88Å; F392-I445 HydrophobicContact CE2-CD1 3.73Å; L438-I445 HydrophobicContact CD2-CG1 3.71Å; C443-I445 PolarHBondContact O-N 3.49Å
446	F	98.5	Very high	97.7	Very high	5 Å²	5	65.5 Å²	65.5	2%	0.022	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	12.6	178.8	-53.5	-50.8	0	0	0	113.3	L388 F392 L438 D444 N448 L449 R454 L457	L388-F446 HydrophobicContact CD1-CE1 4.18Å; L388-F446 HydrophobicContact CD2-CD1 4.33Å; L388-F446 HydrophobicContact CD2-CE1 3.9Å; L388-F446 HydrophobicContact CG-CE1 4.21Å; F392-F446 HydrophobicContact CB-CZ 4.43Å; F392-F446 HydrophobicContact CD1-CE2 4.32Å; F392-F446 HydrophobicContact CD1-CZ 4.11Å; F392-F446 HydrophobicContact CD2-CE2 4.13Å; F392-F446 AromaticContact CD2-CZ 3.59Å; F392-F446 HydrophobicContact CD2-CZ 3.59Å; F392-F446 AromaticContact CE1-CE2 3.98Å; F392-F446 HydrophobicContact CE1-CE2 3.98Å; F392-F446 HydrophobicContact CE1-CZ 4.21Å; F392-F446 AromaticContact CE2-CE2 3.76Å; F392-F446 HydrophobicContact CE2-CE2 3.76Å; F392-F446 AromaticContact CE2-CZ 3.69Å; F392-F446 HydrophobicContact CE2-CZ 3.69Å; F392-F446 HydrophobicContact CG-CE2 4.37Å; F392-F446 AromaticContact CG-CZ 3.78Å; F392-F446 HydrophobicContact CG-CZ 3.78Å; F392-F446 AromaticContact CZ-CE2 3.68Å; F392-F446 HydrophobicContact CZ-CE2 3.68Å; F392-F446 HydrophobicContact CZ-CZ 4.01Å; L438-F446 HydrophobicContact CD1-CD2 3.81Å; L438-F446 HydrophobicContact CD1-CE2 4.02Å; L438-F446 HydrophobicContact CD2-CD2 4.1Å; L438-F446 HydrophobicContact CD2-CE2 4.28Å; D444-F446 PolarHBondContact O-N 2.83Å; D444-F446 VanDerWaalsContact O-N 3.08Å; D444-F446 PolarHBondContact OD1-N 2.86Å; D444-F446 VanDerWaalsContact OD1-N 3.12Å; F446-N448 PolarHBondContact O-N 2.95Å; F446-L449 HydrophobicContact CB-CD1 4.43Å; F446-L449 HydrophobicContact CD1-CD1 4.36Å; F446-L449 HydrophobicContact CD1-CD2 4.31Å; F446-L449 PolarHBondContact O-N 3.29Å; F446-L449 VanDerWaalsContact O-N 3.11Å; F446-R454 WeakPolarHBondContact O-CD 3.42Å; F446-R454 PolarHBondContact O-NE 2.86Å; F446-L457 HydrophobicContact CD1-CD1 3.96Å; F446-L457 HydrophobicContact CD2-CD2 4.12Å; F446-L457 HydrophobicContact CE1-CD1 3.68Å; F446-L457 HydrophobicContact CE1-CD2 4.33Å; F446-L457 HydrophobicContact CE2-CD2 3.74Å; F446-L457 HydrophobicContact CZ-CD1 3.98Å; F446-L457 HydrophobicContact CZ-CD2 3.85Å
447	A	97.9	Very high	97.7	Very high	55 Å²	55	60.9 Å²	60.9	46%	0.455	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-35.3	-177	0	0	0	0	0	113.3	D444	D444-A447 HydrophobicContact CB-CB 4.15Å; D444-A447 VanDerWaalsContact O-CB 3.31Å; D444-A447 WeakPolarHBondContact O-CB 3.48Å; D444-A447 PolarHBondContact O-N 3.17Å; D444-A447 VanDerWaalsContact O-N 3.12Å; D444-A447 PolarHBondContact OD1-N 2.76Å
448	N	98	Very high	97.7	Very high	115 Å²	115	66.4 Å²	66.4	62%	0.615	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-2.9	-176.6	-66.9	-29.7	0	0	0	114	C333 F446	C333-N448 HydrophobicContact CB-CB 4.04Å; C333-N448 PolarHBondContact O-ND2 3.13Å; F446-N448 PolarHBondContact O-N 2.95Å
449	L	96.9	Very high	97.6	Very high	11 Å²	11	67.1 Å²	67.1	6%	0.058	35%	0.354	C	S	.	.	S	Bend	trans	-76.9	131.8	171.8	-83.1	67.1	0	0	0	109.9	F332 L385 L388 F446 K453 R454 L457	F332-L449 HydrophobicContact CB-CD1 3.96Å; F332-L449 HydrophobicContact CD1-CD1 3.92Å; F332-L449 HydrophobicContact CD1-CD2 4.29Å; F332-L449 HydrophobicContact CD1-CG 4.09Å; F332-L449 HydrophobicContact CG-CD1 4.33Å; L385-L449 HydrophobicContact CD1-CD2 3.93Å; L388-L449 HydrophobicContact CD2-CD2 4.46Å; F446-L449 HydrophobicContact CB-CD1 4.43Å; F446-L449 HydrophobicContact CD1-CD1 4.36Å; F446-L449 HydrophobicContact CD1-CD2 4.31Å; F446-L449 PolarHBondContact O-N 3.29Å; F446-L449 VanDerWaalsContact O-N 3.11Å; L449-K453 HydrophobicContact CB-CB 4.26Å; L449-K453 HydrophobicContact CD2-CB 4.23Å; L449-K453 HydrophobicContact CG-CB 4.38Å; L449-R454 HydrophobicContact CB-CG 3.45Å; L449-R454 VanDerWaalsContact CB-CG 3.45Å; L449-R454 HydrophobicContact CD2-CG 4.49Å; L449-R454 VanDerWaalsContact O-CD 3.28Å; L449-R454 WeakPolarHBondContact O-CD 3.5Å; L449-R454 WeakPolarHBondContact O-CG 3.39Å; L449-L457 HydrophobicContact CD2-CD1 3.91Å
450	G	95.6	Very high	97.6	Very high	47 Å²	47	61.8 Å²	61.8	49%	0.485	32%	0.321	S	S	.	.			trans	-59	152.1	170.7	0	0	0	0	0	112.3	K452 K453 R454	G450-K452 VanDerWaalsContact C-N 3.28Å; G450-K452 PolarHBondContact O-N 3.36Å; G450-K452 VanDerWaalsContact O-N 3.1Å; G450-K453 PolarHBondContact O-N 3.16Å; G450-R454 PolarHBondContact O-N 2.67Å
451	G	96.1	Very high	97.6	Very high	61 Å²	61	58.6 Å²	58.6	63%	0.629	31%	0.306	S	S	*	.	H	α-helix	trans	-51.8	-40.1	-171.3	0	0	0	0	0	114.9	R454 Q455	G451-R454 PolarHBondContact O-N 2.86Å; G451-Q455 WeakPolarHBondContact O-CB 3.39Å; G451-Q455 PolarHBondContact O-N 3.33Å
452	K	95.6	Very high	97.6	Very high	125 Å²	125	51.6 Å²	51.6	54%	0.543	28%	0.277	S	S	.	.	H	α-helix	trans	-65.4	-40.7	176.8	-168	175.1	-177.1	179.4	0	112.6	G450 Q455 T456	G450-K452 VanDerWaalsContact C-N 3.28Å; G450-K452 PolarHBondContact O-N 3.36Å; G450-K452 VanDerWaalsContact O-N 3.1Å; K452-Q455 PolarHBondContact O-N 2.91Å; K452-T456 PolarHBondContact O-N 3.01Å; K452-T456 PolarHBondContact O-OG1 2.96Å
453	K	97.1	Very high	97.6	Very high	114 Å²	114	48 Å²	48	50%	0.496	26%	0.257	S	S	.	.	H	α-helix	trans	-66.3	-43.7	176.2	-73.3	-171.3	177.1	-174.7	0	110.9	L385 L449 G450 Q455 T456 L457	L385-K453 HydrophobicContact CD1-CB 4.39Å; L385-K453 HydrophobicContact CD2-CB 4.31Å; L385-K453 HydrophobicContact CD2-CG 4.37Å; L449-K453 HydrophobicContact CB-CB 4.26Å; L449-K453 HydrophobicContact CD2-CB 4.23Å; L449-K453 HydrophobicContact CG-CB 4.38Å; G450-K453 PolarHBondContact O-N 3.16Å; K453-Q455 VanDerWaalsContact C-N 3.32Å; K453-Q455 PolarHBondContact O-N 3.34Å; K453-T456 PolarHBondContact O-N 3.42Å; K453-L457 WeakPolarHBondContact O-CB 3.32Å; K453-L457 PolarHBondContact O-N 3.33Å
454	R	97.9	Very high	97.6	Very high	95 Å²	95	47.9 Å²	47.9	36%	0.358	26%	0.257	S	S	.	.	H	α-helix	trans	-60.2	-41.6	175.8	-66.1	-175.6	76.5	-179.4	10.6	112	D444 F446 L449 G450 G451 R458	D444-R454 VanDerWaalsContact CG-NH2 3.26Å; D444-R454 IonicContact OD1-CZ 2.76Å; D444-R454 IonicContact OD1-NH2 3.97Å; D444-R454 PolarHBondContact OD1-NH2 3.07Å; D444-R454 IonicContact OD2-CZ 3.68Å; D444-R454 IonicContact OD2-NH1 2.71Å; D444-R454 IonicContact OD2-NH2 3.49Å; D444-R454 PolarHBondContact OD2-NH2 3.21Å; F446-R454 WeakPolarHBondContact O-CD 3.42Å; F446-R454 PolarHBondContact O-NE 2.86Å; L449-R454 HydrophobicContact CB-CG 3.45Å; L449-R454 VanDerWaalsContact CB-CG 3.45Å; L449-R454 HydrophobicContact CD2-CG 4.49Å; L449-R454 VanDerWaalsContact O-CD 3.28Å; L449-R454 WeakPolarHBondContact O-CD 3.5Å; L449-R454 WeakPolarHBondContact O-CG 3.39Å; G450-R454 PolarHBondContact O-N 2.67Å; G451-R454 PolarHBondContact O-N 2.86Å; R454-R458 VanDerWaalsContact O-CB 3.27Å; R454-R458 WeakPolarHBondContact O-CB 3.46Å; R454-R458 PolarHBondContact O-N 3.32Å
455	Q	96.8	Very high	97.6	Very high	121 Å²	121	45.9 Å²	45.9	57%	0.565	25%	0.246	S	C	*	.	H	α-helix	trans	-64.1	-45.2	176.9	-171.7	-177.1	39.6	0	0	112	G451 K452 K453 R459	G451-Q455 WeakPolarHBondContact O-CB 3.39Å; G451-Q455 PolarHBondContact O-N 3.33Å; K452-Q455 PolarHBondContact O-N 2.91Å; K453-Q455 VanDerWaalsContact C-N 3.32Å; K453-Q455 PolarHBondContact O-N 3.34Å; Q455-R459 WeakPolarHBondContact O-CB 3.12Å; Q455-R459 PolarHBondContact O-N 3.44Å
456	T	96.7	Very high	97.6	Very high	34 Å²	34	46.2 Å²	46.2	21%	0.209	25%	0.247	C	C	.	.	H	α-helix	trans	-64.5	-45.9	176.6	-69.7	0	0	0	0	111.8	L385 K452 K453 R458 R459 M460	L385-T456 HydrophobicContact CD2-CG2 3.82Å; K452-T456 PolarHBondContact O-N 3.01Å; K452-T456 PolarHBondContact O-OG1 2.96Å; K453-T456 PolarHBondContact O-N 3.42Å; T456-R458 PolarHBondContact O-N 3.23Å; T456-R459 PolarHBondContact O-N 2.92Å; T456-R459 PolarHBondContact OG1-NH2 3.47Å; T456-M460 HydrophobicContact CG2-CE 3.86Å; T456-M460 HydrophobicContact CG2-SD 4.18Å; T456-M460 WeakPolarHBondContact O-CG 3.18Å; T456-M460 PolarHBondContact O-N 3.11Å
457	L	98.4	Very high	97.5	Very high	2 Å²	2	46 Å²	46	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-57.9	-50.3	175.4	-178.2	151.1	0	0	0	111.2	L385 L388 F446 L449 K453 R459 M460 V461	L385-L457 HydrophobicContact CD1-CB 4.17Å; L385-L457 HydrophobicContact CD1-CD1 4.03Å; L388-L457 HydrophobicContact CD2-CD1 3.43Å; L388-L457 VanDerWaalsContact CD2-CD1 3.43Å; L388-L457 HydrophobicContact CG-CD1 3.84Å; F446-L457 HydrophobicContact CD1-CD1 3.96Å; F446-L457 HydrophobicContact CD2-CD2 4.12Å; F446-L457 HydrophobicContact CE1-CD1 3.68Å; F446-L457 HydrophobicContact CE1-CD2 4.33Å; F446-L457 HydrophobicContact CE2-CD2 3.74Å; F446-L457 HydrophobicContact CZ-CD1 3.98Å; F446-L457 HydrophobicContact CZ-CD2 3.85Å; L449-L457 HydrophobicContact CD2-CD1 3.91Å; K453-L457 WeakPolarHBondContact O-CB 3.32Å; K453-L457 PolarHBondContact O-N 3.33Å; L457-R459 VanDerWaalsContact C-N 3.27Å; L457-R459 PolarHBondContact O-N 3.27Å; L457-M460 PolarHBondContact O-N 3.41Å; L457-V461 HydrophobicContact CD2-CG2 3.91Å; L457-V461 HydrophobicContact CG-CG2 4.29Å; L457-V461 VanDerWaalsContact O-CG2 3.31Å; L457-V461 WeakPolarHBondContact O-CG2 3.48Å; L457-V461 PolarHBondContact O-N 3.03Å
458	R	98.2	Very high	97.5	Very high	118 Å²	118	43.7 Å²	43.7	45%	0.445	23%	0.227	S	C	.	.	H	α-helix	trans	-57.3	-42.4	179	177.4	173.6	176.2	75.9	0.5	111.6	F435 R454 T456 I462	F435-R458 HydrophobicContact CE1-CB 4.33Å; F435-R458 HydrophobicContact CE1-CG 4.11Å; F435-R458 HydrophobicContact CE2-CG 4.49Å; F435-R458 HydrophobicContact CZ-CB 4.3Å; F435-R458 HydrophobicContact CZ-CG 3.95Å; R454-R458 VanDerWaalsContact O-CB 3.27Å; R454-R458 WeakPolarHBondContact O-CB 3.46Å; R454-R458 PolarHBondContact O-N 3.32Å; T456-R458 PolarHBondContact O-N 3.23Å; R458-I462 HydrophobicContact CG-CD1 3.83Å; R458-I462 WeakPolarHBondContact O-CD1 3.4Å; R458-I462 WeakPolarHBondContact O-CG1 3.31Å; R458-I462 PolarHBondContact O-N 3Å; R458-I462 VanDerWaalsContact O-N 3.12Å
459	R	97	Very high	97.5	Very high	29 Å²	29	38.7 Å²	38.7	11%	0.109	20%	0.2	C	C	.	.	H	α-helix	trans	-62.6	-51.3	177.5	-176.3	-176	57.3	-104.9	-4.8	110.9	Q455 T456 L457 V461 I462 E463 Y500	Q455-R459 WeakPolarHBondContact O-CB 3.12Å; Q455-R459 PolarHBondContact O-N 3.44Å; T456-R459 PolarHBondContact O-N 2.92Å; T456-R459 PolarHBondContact OG1-NH2 3.47Å; L457-R459 VanDerWaalsContact C-N 3.27Å; L457-R459 PolarHBondContact O-N 3.27Å; R459-V461 PolarHBondContact O-N 2.77Å; R459-I462 PolarHBondContact O-N 2.78Å; R459-E463 WeakPolarHBondContact CG-OE1 3.38Å; R459-E463 IonicContact NE-OE1 3.86Å; R459-E463 WeakPolarHBondContact O-CG 3.25Å; R459-E463 PolarHBondContact O-N 2.92Å; R459-Y500 PolarHBondContact NE-OH 3.1Å; R459-Y500 VanDerWaalsContact NE-OH 3.13Å
460	M	98.3	Very high	97.4	Very high	3 Å²	3	40 Å²	40	2%	0.015	21%	0.206	C	C	.	.	H	α-helix	trans	-58.7	-48.1	179.6	-68.7	-176.4	-54.7	0	0	111.8	L385 E386 A389 T456 L457 I462 E463 L464 Y500 I504	L385-M460 HydrophobicContact CD2-CE 4.19Å; L385-M460 HydrophobicContact CG-CE 3.92Å; L385-M460 WeakPolarHBondContact O-CE 3.41Å; E386-M460 HydrophobicContact CB-SD 4.44Å; E386-M460 HydrophobicContact CG-CE 4.05Å; E386-M460 HydrophobicContact CG-SD 3.45Å; E386-M460 WeakPolarHBondContact CG-SD 3.49Å; A389-M460 HydrophobicContact CB-CB 3.9Å; A389-M460 HydrophobicContact CB-CE 3.75Å; T456-M460 HydrophobicContact CG2-CE 3.86Å; T456-M460 HydrophobicContact CG2-SD 4.18Å; T456-M460 WeakPolarHBondContact O-CG 3.18Å; T456-M460 PolarHBondContact O-N 3.11Å; L457-M460 PolarHBondContact O-N 3.41Å; M460-I462 VanDerWaalsContact C-N 3.3Å; M460-I462 PolarHBondContact O-N 3.44Å; M460-E463 PolarHBondContact O-N 3.17Å; M460-E463 VanDerWaalsContact O-N 3.09Å; M460-L464 HydrophobicContact CB-CD1 4.47Å; M460-L464 WeakPolarHBondContact O-CB 3.47Å; M460-L464 WeakPolarHBondContact O-CD1 2.97Å; M460-L464 WeakPolarHBondContact O-CG 3.34Å; M460-L464 PolarHBondContact O-N 3.14Å; M460-Y500 HydrophobicContact CG-CE2 3.73Å; M460-Y500 VanDerWaalsContact CG-OH 3.29Å; M460-Y500 WeakPolarHBondContact CG-OH 3.46Å; M460-Y500 HydrophobicContact SD-CE2 3.91Å; M460-I504 HydrophobicContact CB-CD1 4.14Å; M460-I504 HydrophobicContact CG-CD1 4.14Å
461	V	98.8	Very high	97.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.8	-40.6	179.6	172.9	0	0	0	0	111.8	A389 F392 A393 I396 L431 F435 L457 R459 L464 V465	A389-V461 HydrophobicContact CB-CG2 3.93Å; F392-V461 HydrophobicContact CD1-CB 4.42Å; F392-V461 HydrophobicContact CD1-CG1 3.79Å; F392-V461 HydrophobicContact CD1-CG2 3.73Å; F392-V461 HydrophobicContact CE1-CG1 3.97Å; F392-V461 HydrophobicContact CE1-CG2 4.43Å; A393-V461 HydrophobicContact CB-CG1 4.29Å; I396-V461 HydrophobicContact CD1-CG1 3.85Å; L431-V461 HydrophobicContact CD2-CG1 4.03Å; F435-V461 HydrophobicContact CE2-CB 4.5Å; F435-V461 HydrophobicContact CE2-CG1 3.96Å; F435-V461 HydrophobicContact CZ-CB 4.05Å; F435-V461 HydrophobicContact CZ-CG1 3.83Å; L457-V461 HydrophobicContact CD2-CG2 3.91Å; L457-V461 HydrophobicContact CG-CG2 4.29Å; L457-V461 VanDerWaalsContact O-CG2 3.31Å; L457-V461 WeakPolarHBondContact O-CG2 3.48Å; L457-V461 PolarHBondContact O-N 3.03Å; R459-V461 PolarHBondContact O-N 2.77Å; V461-L464 PolarHBondContact O-N 3.24Å; V461-V465 HydrophobicContact CG1-CG2 4.37Å; V461-V465 WeakPolarHBondContact O-CG2 3.44Å; V461-V465 PolarHBondContact O-N 2.8Å
462	I	98.4	Very high	97	Very high	24 Å²	24	36.4 Å²	36.4	12%	0.123	16%	0.162	C	C	.	.	H	α-helix	trans	-61.5	-47	174.6	-70.4	165.5	0	0	0	110.5	L431 F435 R458 R459 M460 L464 L466	L431-I462 HydrophobicContact CD1-CB 4.32Å; L431-I462 HydrophobicContact CD1-CG1 4.25Å; L431-I462 HydrophobicContact CD1-CG2 4.18Å; L431-I462 HydrophobicContact CD2-CG1 4.06Å; F435-I462 HydrophobicContact CE2-CG1 4.22Å; R458-I462 HydrophobicContact CG-CD1 3.83Å; R458-I462 WeakPolarHBondContact O-CD1 3.4Å; R458-I462 WeakPolarHBondContact O-CG1 3.31Å; R458-I462 PolarHBondContact O-N 3Å; R458-I462 VanDerWaalsContact O-N 3.12Å; R459-I462 PolarHBondContact O-N 2.78Å; M460-I462 VanDerWaalsContact C-N 3.3Å; M460-I462 PolarHBondContact O-N 3.44Å; I462-L464 VanDerWaalsContact C-N 3.26Å; I462-L464 PolarHBondContact O-N 2.88Å; I462-L466 HydrophobicContact CG2-CD1 3.71Å; I462-L466 HydrophobicContact CG2-CG 4.27Å; I462-L466 VanDerWaalsContact O-CB 3.28Å; I462-L466 WeakPolarHBondContact O-CB 3.47Å; I462-L466 VanDerWaalsContact O-CG 3.22Å; I462-L466 WeakPolarHBondContact O-CG 3.46Å; I462-L466 PolarHBondContact O-N 3.47Å
463	E	97.6	Very high	96.9	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-62.4	-33.7	178.7	-66.8	-177.1	-98.1	0	0	112.5	L172 R176 R459 M460 A467 Y500 I504 Q508	L172-E463 HydrophobicContact CD1-CG 3.88Å; L172-E463 HydrophobicContact CD2-CG 3.8Å; L172-E463 HydrophobicContact CG-CG 4.36Å; R176-E463 IonicContact CZ-OE2 3.95Å; R176-E463 VanDerWaalsContact CZ-OE2 3.24Å; R176-E463 IonicContact NE-OE2 2.67Å; R176-E463 PolarHBondContact NE-OE2 2.84Å; R176-E463 IonicContact NH2-OE2 3.32Å; R176-E463 PolarHBondContact NH2-OE2 3.4Å; R459-E463 WeakPolarHBondContact CG-OE1 3.38Å; R459-E463 IonicContact NE-OE1 3.86Å; R459-E463 WeakPolarHBondContact O-CG 3.25Å; R459-E463 PolarHBondContact O-N 2.92Å; M460-E463 PolarHBondContact O-N 3.17Å; M460-E463 VanDerWaalsContact O-N 3.09Å; E463-A467 WeakPolarHBondContact O-CB 3.38Å; E463-A467 PolarHBondContact O-N 2.74Å; E463-Y500 PolarHBondContact OE1-OH 2.91Å; E463-I504 HydrophobicContact CB-CD1 4.36Å; E463-I504 HydrophobicContact CB-CG1 4.1Å; E463-Q508 PolarHBondContact O-NE2 3.16Å
464	L	98.7	Very high	96.4	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-75.6	-48.8	-179	-68.2	163.9	0	0	0	112.7	A389 V390 A393 M460 V461 I462 A467 I504 L507 Q508 I511	A389-L464 HydrophobicContact CB-CD1 4.26Å; V390-L464 HydrophobicContact CB-CD1 4.15Å; V390-L464 HydrophobicContact CG2-CD2 4.44Å; A393-L464 HydrophobicContact CB-CB 3.72Å; A393-L464 HydrophobicContact CB-CD1 4.06Å; M460-L464 HydrophobicContact CB-CD1 4.47Å; M460-L464 WeakPolarHBondContact O-CB 3.47Å; M460-L464 WeakPolarHBondContact O-CD1 2.97Å; M460-L464 WeakPolarHBondContact O-CG 3.34Å; M460-L464 PolarHBondContact O-N 3.14Å; V461-L464 PolarHBondContact O-N 3.24Å; I462-L464 VanDerWaalsContact C-N 3.26Å; I462-L464 PolarHBondContact O-N 2.88Å; L464-A467 WeakPolarHBondContact O-CB 3.39Å; L464-A467 PolarHBondContact O-N 2.93Å; L464-I504 HydrophobicContact CD1-CD1 4.45Å; L464-I504 HydrophobicContact CD2-CD1 4.03Å; L464-I504 HydrophobicContact CG-CD1 4.02Å; L464-L507 HydrophobicContact CD2-CB 3.57Å; L464-L507 WeakPolarHBondContact CD2-O 3.33Å; L464-Q508 HydrophobicContact CD2-CG 4.01Å; L464-I511 HydrophobicContact CB-CG2 4.43Å; L464-I511 HydrophobicContact CD2-CG2 4.21Å
465	V	98.8	Very high	96	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-70.5	-36.7	178.9	179.2	0	0	0	0	110.8	A393 I396 H397 E427 H430 L431 V461 A467 T468	A393-V465 HydrophobicContact CB-CG2 3.92Å; I396-V465 HydrophobicContact CD1-CG2 4.28Å; I396-V465 HydrophobicContact CG1-CG2 4.17Å; H397-V465 HydrophobicContact CB-CG1 4.27Å; H397-V465 HydrophobicContact CB-CG2 4.33Å; E427-V465 HydrophobicContact CB-CG1 4.4Å; H430-V465 HydrophobicContact CB-CG1 4.39Å; L431-V465 HydrophobicContact CD1-CB 4.08Å; L431-V465 HydrophobicContact CD1-CG1 4.28Å; L431-V465 HydrophobicContact CD2-CB 3.77Å; L431-V465 HydrophobicContact CD2-CG1 4.28Å; L431-V465 HydrophobicContact CD2-CG2 3.83Å; L431-V465 HydrophobicContact CG-CB 3.78Å; L431-V465 HydrophobicContact CG-CG1 3.82Å; L431-V465 HydrophobicContact CG-CG2 4.31Å; V461-V465 HydrophobicContact CG1-CG2 4.37Å; V461-V465 WeakPolarHBondContact O-CG2 3.44Å; V461-V465 PolarHBondContact O-N 2.8Å; V465-A467 PolarHBondContact O-N 2.68Å; V465-A467 VanDerWaalsContact O-N 3.14Å; V465-T468 PolarHBondContact O-N 3.27Å; V465-T468 PolarHBondContact O-OG1 2.84Å
466	L	97.8	Very high	95.7	Very high	10 Å²	10	16.9 Å²	16.9	5%	0.052	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-16.1	173.6	-70	180	0	0	0	113.4	I168 E427 L431 I462 K472	I168-L466 HydrophobicContact CG2-CD1 4.18Å; E427-L466 HydrophobicContact CB-CD2 4.05Å; L431-L466 HydrophobicContact CD1-CD2 4.02Å; L431-L466 HydrophobicContact CD1-CG 3.88Å; I462-L466 HydrophobicContact CG2-CD1 3.71Å; I462-L466 HydrophobicContact CG2-CG 4.27Å; I462-L466 VanDerWaalsContact O-CB 3.28Å; I462-L466 WeakPolarHBondContact O-CB 3.47Å; I462-L466 VanDerWaalsContact O-CG 3.22Å; I462-L466 WeakPolarHBondContact O-CG 3.46Å; I462-L466 PolarHBondContact O-N 3.47Å; L466-K472 VanDerWaalsContact O-CD 3.32Å; L466-K472 WeakPolarHBondContact O-CD 3.42Å; L466-K472 WeakPolarHBondContact O-CE 3.31Å; L466-K472 PolarHBondContact O-NZ 2.81Å
467	A	97.3	Very high	95.5	Very high	2 Å²	2	15.4 Å²	15.4	2%	0.017	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-7.7	174.8	0	0	0	0	0	113.1	E463 L464 V465 D469 L476 Q508	E463-A467 WeakPolarHBondContact O-CB 3.38Å; E463-A467 PolarHBondContact O-N 2.74Å; L464-A467 WeakPolarHBondContact O-CB 3.39Å; L464-A467 PolarHBondContact O-N 2.93Å; V465-A467 PolarHBondContact O-N 2.68Å; V465-A467 VanDerWaalsContact O-N 3.14Å; A467-D469 VanDerWaalsContact C-N 3.26Å; A467-L476 HydrophobicContact CB-CD1 4.09Å; A467-L476 HydrophobicContact CB-CD2 4.11Å; A467-L476 WeakPolarHBondContact O-CD1 3.37Å; A467-Q508 HydrophobicContact CB-CB 3.76Å; A467-Q508 HydrophobicContact CB-CG 3.72Å
468	T	98.3	Very high	94.8	Very high	5 Å²	5	15.5 Å²	15.5	3%	0.031	8%	0.075	C	C	.	.			trans	-82.7	-6.4	171.2	66.1	0	0	0	0	112.2	H397 V465 M470 I511	H397-T468 HydrophobicContact CB-CG2 4.25Å; V465-T468 PolarHBondContact O-N 3.27Å; V465-T468 PolarHBondContact O-OG1 2.84Å; T468-M470 WeakPolarHBondContact O-CE 3.43Å; T468-M470 PolarHBondContact O-N 2.66Å; T468-I511 HydrophobicContact CG2-CD1 4.13Å; T468-I511 HydrophobicContact CG2-CG1 4.05Å; T468-I511 HydrophobicContact CG2-CG2 4.25Å
469	D	97.3	Very high	94.3	Very high	11 Å²	11	11 Å²	11	6%	0.059	6%	0.059	C	C	.	.			trans	-60	113.1	169	-175.9	-23	0	0	0	109.6	S424 E427 A467 S471 K472	S424-D469 WeakPolarHBondContact CA-OD2 3.33Å; S424-D469 VanDerWaalsContact CB-OD2 3.28Å; S424-D469 WeakPolarHBondContact CB-OD2 3.43Å; S424-D469 PolarHBondContact OG-OD2 3.09Å; E427-D469 HydrophobicContact CG-CB 3.88Å; E427-D469 WeakPolarHBondContact OE1-CA 3.36Å; A467-D469 VanDerWaalsContact C-N 3.26Å; D469-S471 PolarHBondContact O-N 3.32Å; D469-S471 VanDerWaalsContact O-N 3.09Å; D469-S471 WeakPolarHBondContact OD1-CB 3.47Å; D469-S471 PolarHBondContact OD1-N 3.03Å; D469-S471 PolarHBondContact OD1-OG 3.37Å; D469-S471 PolarHBondContact OD2-OG 3.49Å; D469-K472 HydrophobicContact CB-CD 4.2Å; D469-K472 HydrophobicContact CB-CG 4.22Å; D469-K472 WeakPolarHBondContact O-CB 3.46Å; D469-K472 PolarHBondContact O-N 2.87Å
470	M	94.8	Very high	93.9	Very high	37 Å²	37	9.6 Å²	9.6	18%	0.182	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-59.6	-27.3	-172.8	-66.8	-63.2	152.2	0	0	112.8	T154 F155 T468 K472 H473 D515 L516	T154-M470 HydrophobicContact CG2-CB 3.86Å; T154-M470 HydrophobicContact CG2-CG 4.45Å; T154-M470 CarbonylContact O-C 3.6Å; T154-M470 WeakPolarHBondContact O-CB 3.48Å; F155-M470 WeakPolarHBondContact CA-O 3.16Å; F155-M470 HydrophobicContact CD1-CB 4.08Å; F155-M470 HydrophobicContact CD1-SD 4.33Å; F155-M470 HydrophobicContact CE1-CB 3.93Å; F155-M470 HydrophobicContact CE1-CG 4.09Å; F155-M470 HydrophobicContact CE1-SD 3.57Å; F155-M470 VanDerWaalsContact CE1-SD 3.57Å; F155-M470 HydrophobicContact CZ-SD 4.34Å; T468-M470 WeakPolarHBondContact O-CE 3.43Å; T468-M470 PolarHBondContact O-N 2.66Å; M470-K472 PolarHBondContact O-N 3.32Å; M470-K472 VanDerWaalsContact O-N 3.15Å; M470-H473 WeakPolarHBondContact O-CB 3.14Å; M470-H473 PolarHBondContact O-N 3.11Å; M470-D515 WeakPolarHBondContact CE-OD2 3.31Å; M470-L516 HydrophobicContact CE-CD2 3.85Å; M470-L516 HydrophobicContact CE-CG 4.28Å; M470-L516 HydrophobicContact SD-CD1 4.25Å; M470-L516 HydrophobicContact SD-CD2 3.83Å; M470-L516 HydrophobicContact SD-CG 4.28Å
471	S	92.6	Very high	93.4	Very high	11 Å²	11	11.8 Å²	11.8	8%	0.077	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-60	-27.4	177	67.4	0	0	0	0	112.2	T154 E157 D469 H473	T154-S471 WeakPolarHBondContact O-CA 3.49Å; T154-S471 PolarHBondContact O-N 2.95Å; E157-S471 WeakPolarHBondContact CG-O 3.31Å; E157-S471 PolarHBondContact N-O 3.1Å; D469-S471 PolarHBondContact O-N 3.32Å; D469-S471 VanDerWaalsContact O-N 3.09Å; D469-S471 WeakPolarHBondContact OD1-CB 3.47Å; D469-S471 PolarHBondContact OD1-N 3.03Å; D469-S471 PolarHBondContact OD1-OG 3.37Å; D469-S471 PolarHBondContact OD2-OG 3.49Å; S471-H473 VanDerWaalsContact C-N 3.33Å; S471-H473 PolarHBondContact O-N 3.41Å
472	K	91.6	Very high	92.6	Very high	23 Å²	23	12.3 Å²	12.3	10%	0.1	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	-84.7	-3.6	-178.9	-55.6	-174.1	-169.6	171.4	0	113.9	N165 S424 L466 D469 M470 M474 S475 L476	N165-K472 WeakPolarHBondContact OD1-CE 3.47Å; S424-K472 WeakPolarHBondContact OG-CE 3.46Å; S424-K472 PolarHBondContact OG-NZ 3.12Å; S424-K472 VanDerWaalsContact OG-NZ 3.12Å; L466-K472 VanDerWaalsContact O-CD 3.32Å; L466-K472 WeakPolarHBondContact O-CD 3.42Å; L466-K472 WeakPolarHBondContact O-CE 3.31Å; L466-K472 PolarHBondContact O-NZ 2.81Å; D469-K472 HydrophobicContact CB-CD 4.2Å; D469-K472 HydrophobicContact CB-CG 4.22Å; D469-K472 WeakPolarHBondContact O-CB 3.46Å; D469-K472 PolarHBondContact O-N 2.87Å; M470-K472 PolarHBondContact O-N 3.32Å; M470-K472 VanDerWaalsContact O-N 3.15Å; K472-M474 PolarHBondContact O-N 3.29Å; K472-M474 VanDerWaalsContact O-N 3.13Å; K472-S475 WeakPolarHBondContact O-CB 3.47Å; K472-S475 PolarHBondContact O-N 3.44Å; K472-L476 HydrophobicContact CB-CD1 4.47Å; K472-L476 PolarHBondContact O-N 3.3Å
473	H	93.3	Very high	91.9	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-48.5	-45.6	-177.1	173.7	102.5	0	0	0	112.5	F155 M470 S471 S475 L476 L477 H512 V573	F155-H473 HydrophobicContact CB-CB 4.36Å; F155-H473 HydrophobicContact CD1-CB 3.82Å; F155-H473 AromaticContact CD1-CG 3.98Å; M470-H473 WeakPolarHBondContact O-CB 3.14Å; M470-H473 PolarHBondContact O-N 3.11Å; S471-H473 VanDerWaalsContact C-N 3.33Å; S471-H473 PolarHBondContact O-N 3.41Å; H473-S475 PolarHBondContact O-N 3.27Å; H473-L476 PolarHBondContact O-N 3.39Å; H473-L477 WeakPolarHBondContact O-CB 3.24Å; H473-L477 PolarHBondContact O-N 3.02Å; H473-H512 AromaticContact CG-NE2 3.6Å; H473-H512 AromaticContact ND1-CD2 3.92Å; H473-H512 AromaticContact ND1-NE2 3.11Å; H473-H512 PolarHBondContact ND1-NE2 3.15Å; H473-H512 VanDerWaalsContact ND1-NE2 3.11Å; H473-V573 WeakPolarHBondContact CE1-CG1 3.31Å
474	M	87.3	Confident	91.2	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-67.8	-35.8	-177.7	-64.8	-55.5	151.8	0	0	113.2	F123 F126 L130 F155 L156 K472 A478	F123-M474 HydrophobicContact CD2-CB 3.83Å; F123-M474 HydrophobicContact CE2-CB 3.6Å; F126-M474 HydrophobicContact CD1-SD 3.49Å; F126-M474 WeakPolarHBondContact CD1-SD 3.2Å; F126-M474 HydrophobicContact CE1-CE 4.31Å; F126-M474 HydrophobicContact CE1-SD 3.31Å; F126-M474 WeakPolarHBondContact CE1-SD 3.39Å; L130-M474 HydrophobicContact CD2-CE 3.23Å; L130-M474 HydrophobicContact CD2-SD 3.77Å; F155-M474 HydrophobicContact CB-CE 4.12Å; F155-M474 WeakPolarHBondContact O-CG 3.47Å; L156-M474 HydrophobicContact CD2-CE 4.17Å; L156-M474 HydrophobicContact CD2-CG 3.56Å; L156-M474 HydrophobicContact CD2-SD 4.39Å; K472-M474 PolarHBondContact O-N 3.29Å; K472-M474 VanDerWaalsContact O-N 3.13Å; M474-A478 WeakPolarHBondContact O-CB 3.48Å; M474-A478 PolarHBondContact O-N 2.96Å
475	S	87.5	Confident	90.3	Very high	36 Å²	36	13.6 Å²	13.6	25%	0.252	7%	0.071	S	C	.	.	H	α-helix	trans	-66.2	-47.4	176.6	-176.5	0	0	0	0	110.1	K472 H473 L477 A478 D479	K472-S475 WeakPolarHBondContact O-CB 3.47Å; K472-S475 PolarHBondContact O-N 3.44Å; H473-S475 PolarHBondContact O-N 3.27Å; S475-L477 PolarHBondContact O-N 3.02Å; S475-A478 WeakPolarHBondContact O-CB 3.39Å; S475-A478 PolarHBondContact O-N 2.93Å; S475-A478 VanDerWaalsContact O-N 3.17Å; S475-D479 PolarHBondContact O-N 3.38Å
476	L	91.9	Very high	89.2	Confident	9 Å²	9	14.8 Å²	14.8	5%	0.047	8%	0.079	C	C	.	.	H	α-helix	trans	-59.3	-44.3	176	-66.2	170.6	0	0	0	112.5	A467 K472 H473 A478 D479 L480 Q508 N509 H512	A467-L476 HydrophobicContact CB-CD1 4.09Å; A467-L476 HydrophobicContact CB-CD2 4.11Å; A467-L476 WeakPolarHBondContact O-CD1 3.37Å; K472-L476 HydrophobicContact CB-CD1 4.47Å; K472-L476 PolarHBondContact O-N 3.3Å; H473-L476 PolarHBondContact O-N 3.39Å; L476-A478 VanDerWaalsContact C-N 3.34Å; L476-A478 PolarHBondContact O-N 2.82Å; L476-D479 WeakPolarHBondContact O-CB 3.44Å; L476-D479 PolarHBondContact O-N 3.31Å; L476-L480 WeakPolarHBondContact O-CB 3.47Å; L476-L480 PolarHBondContact O-N 2.82Å; L476-Q508 HydrophobicContact CD2-CB 3.93Å; L476-N509 PolarHBondContact O-ND2 3.02Å; L476-N509 PolarHBondContact O-OD1 3.49Å; L476-N509 VanDerWaalsContact O-OD1 3.12Å; L476-H512 HydrophobicContact CD1-CB 4.18Å
477	L	91.2	Very high	88	Confident	2 Å²	2	15.8 Å²	15.8	1%	0.01	8%	0.082	C	C	.	.	H	α-helix	trans	-64.5	-37.6	177.6	-178.8	57.3	0	0	0	112.2	F126 H473 S475 L480 R481 P576 L577 T580	F126-L477 HydrophobicContact CE1-CD2 4.09Å; F126-L477 HydrophobicContact CE2-CD2 4.32Å; F126-L477 HydrophobicContact CZ-CD2 3.84Å; H473-L477 WeakPolarHBondContact O-CB 3.24Å; H473-L477 PolarHBondContact O-N 3.02Å; S475-L477 PolarHBondContact O-N 3.02Å; L477-L480 PolarHBondContact O-N 3.38Å; L477-R481 HydrophobicContact CD1-CG 4.37Å; L477-R481 WeakPolarHBondContact O-CB 3.44Å; L477-R481 WeakPolarHBondContact O-CG 3.49Å; L477-R481 PolarHBondContact O-N 2.81Å; L477-P576 HydrophobicContact CD2-CB 4.04Å; L477-L577 HydrophobicContact CD1-CD1 4.4Å; L477-T580 HydrophobicContact CD1-CG2 4.28Å; L477-T580 WeakPolarHBondContact CD1-OG1 3.41Å
478	A	85.4	Confident	86.9	Confident	5 Å²	5	21.8 Å²	21.8	4%	0.041	11%	0.108	C	C	.	.	H	α-helix	trans	-66.2	-43.3	176.5	0	0	0	0	0	111.9	A122 F123 M474 S475 L476 R481 T482	A122-A478 HydrophobicContact CB-CB 4.13Å; F123-A478 HydrophobicContact CB-CB 3.85Å; M474-A478 WeakPolarHBondContact O-CB 3.48Å; M474-A478 PolarHBondContact O-N 2.96Å; S475-A478 WeakPolarHBondContact O-CB 3.39Å; S475-A478 PolarHBondContact O-N 2.93Å; S475-A478 VanDerWaalsContact O-N 3.17Å; L476-A478 VanDerWaalsContact C-N 3.34Å; L476-A478 PolarHBondContact O-N 2.82Å; A478-R481 PolarHBondContact O-N 3.34Å; A478-T482 WeakPolarHBondContact O-CB 3.39Å; A478-T482 PolarHBondContact O-N 3.34Å; A478-T482 PolarHBondContact O-OG1 2.89Å
479	D	86.2	Confident	85.4	Confident	23 Å²	23	25.1 Å²	25.1	12%	0.123	13%	0.128	C	C	.	.	H	α-helix	trans	-58.4	-49.2	172.9	-81.7	-7.8	0	0	0	110.6	S119 S475 L476 R481 T482 M483 Q505	S119-D479 WeakPolarHBondContact CB-OD1 3.35Å; S119-D479 PolarHBondContact OG-N 2.7Å; S119-D479 PolarHBondContact OG-OD1 3.31Å; S475-D479 PolarHBondContact O-N 3.38Å; L476-D479 WeakPolarHBondContact O-CB 3.44Å; L476-D479 PolarHBondContact O-N 3.31Å; D479-R481 PolarHBondContact O-N 2.79Å; D479-T482 PolarHBondContact O-N 3.15Å; D479-M483 PolarHBondContact O-N 3.16Å; D479-Q505 VanDerWaalsContact CG-NE2 3.28Å; D479-Q505 PolarHBondContact OD2-NE2 3.07Å
480	L	89.7	Confident	83.8	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.7	-45	-179.3	-168	65.9	0	0	0	112.1	L476 L477 T482 M483 V484 N509 L577 T580 W581 L584	L476-L480 WeakPolarHBondContact O-CB 3.47Å; L476-L480 PolarHBondContact O-N 2.82Å; L477-L480 PolarHBondContact O-N 3.38Å; L480-T482 VanDerWaalsContact C-N 3.35Å; L480-T482 PolarHBondContact O-N 2.8Å; L480-M483 WeakPolarHBondContact O-CB 3.36Å; L480-M483 PolarHBondContact O-N 3.38Å; L480-V484 WeakPolarHBondContact O-CG2 3.31Å; L480-V484 PolarHBondContact O-N 2.92Å; L480-N509 HydrophobicContact CD1-CB 3.93Å; L480-N509 HydrophobicContact CD2-CB 4.26Å; L480-L577 HydrophobicContact CD2-CD1 4.29Å; L480-T580 HydrophobicContact CB-CG2 4.08Å; L480-T580 HydrophobicContact CD2-CG2 3.77Å; L480-T580 HydrophobicContact CG-CG2 3.68Å; L480-W581 HydrophobicContact CD1-CE3 4.34Å; L480-W581 HydrophobicContact CD2-CB 4.39Å; L480-W581 HydrophobicContact CD2-CE3 4.43Å; L480-L584 HydrophobicContact CD1-CD2 3.72Å
481	R	86.3	Confident	82	Confident	49 Å²	49	29.3 Å²	29.3	19%	0.185	17%	0.174	C	C	.	.	H	α-helix	trans	-60.8	-43.9	176.5	-79.1	-176.7	179.1	-93.3	-10.3	111.7	L477 A478 D479 M483 V484 E485 T580	L477-R481 HydrophobicContact CD1-CG 4.37Å; L477-R481 WeakPolarHBondContact O-CB 3.44Å; L477-R481 WeakPolarHBondContact O-CG 3.49Å; L477-R481 PolarHBondContact O-N 2.81Å; A478-R481 PolarHBondContact O-N 3.34Å; D479-R481 PolarHBondContact O-N 2.79Å; R481-M483 VanDerWaalsContact C-N 3.27Å; R481-M483 PolarHBondContact O-N 2.55Å; R481-V484 PolarHBondContact O-N 3.11Å; R481-E485 WeakPolarHBondContact O-CG 3.31Å; R481-E485 PolarHBondContact O-N 2.81Å; R481-T580 HydrophobicContact CB-CG2 4.24Å; R481-T580 HydrophobicContact CG-CG2 3.47Å; R481-T580 VanDerWaalsContact CG-CG2 3.47Å; R481-T580 PolarHBondContact NH2-OG1 3.04Å
482	T	82.8	Confident	80.5	Confident	10 Å²	10	33 Å²	33	6%	0.061	20%	0.199	C	C	.	.	H	α-helix	trans	-59.8	-42.1	177.6	-58.2	0	0	0	0	110.8	Q113 V118 A478 D479 L480 E485 T486	Q113-T482 VanDerWaalsContact O-CG2 3.31Å; Q113-T482 WeakPolarHBondContact O-CG2 3.49Å; V118-T482 HydrophobicContact CB-CG2 4.26Å; V118-T482 HydrophobicContact CG1-CG2 3.67Å; A478-T482 WeakPolarHBondContact O-CB 3.39Å; A478-T482 PolarHBondContact O-N 3.34Å; A478-T482 PolarHBondContact O-OG1 2.89Å; D479-T482 PolarHBondContact O-N 3.15Å; L480-T482 VanDerWaalsContact C-N 3.35Å; L480-T482 PolarHBondContact O-N 2.8Å; T482-E485 PolarHBondContact O-N 3.32Å; T482-T486 PolarHBondContact O-N 3.32Å; T482-T486 PolarHBondContact O-OG1 2.99Å; T482-T486 VanDerWaalsContact O-OG1 3.13Å
483	M	83.1	Confident	78.9	Confident	17 Å²	17	34.4 Å²	34.4	8%	0.084	22%	0.22	C	C	.	.	H	α-helix	trans	-66.2	-41.2	178.1	-163	177	-64.9	0	0	113.1	D479 L480 R481 E485 T486 K487 L495 L497 D502 Q505 I506 L584	D479-M483 PolarHBondContact O-N 3.16Å; L480-M483 WeakPolarHBondContact O-CB 3.36Å; L480-M483 PolarHBondContact O-N 3.38Å; R481-M483 VanDerWaalsContact C-N 3.27Å; R481-M483 PolarHBondContact O-N 2.55Å; M483-E485 VanDerWaalsContact C-N 3.33Å; M483-E485 PolarHBondContact O-N 3.07Å; M483-T486 PolarHBondContact O-N 3.07Å; M483-K487 PolarHBondContact O-N 3.14Å; M483-L495 HydrophobicContact CG-CD2 4.36Å; M483-L497 HydrophobicContact SD-CD2 4.15Å; M483-D502 HydrophobicContact CE-CB 4.13Å; M483-D502 WeakPolarHBondContact CE-O 3.28Å; M483-Q505 HydrophobicContact CE-CB 3.81Å; M483-I506 HydrophobicContact CE-CG1 3.91Å; M483-I506 HydrophobicContact SD-CD1 3.5Å; M483-I506 WeakPolarHBondContact SD-CD1 3.35Å; M483-I506 HydrophobicContact SD-CG1 3.24Å; M483-I506 WeakPolarHBondContact SD-CG1 3.34Å; M483-L584 HydrophobicContact CG-CD1 4.37Å; M483-L584 HydrophobicContact SD-CD1 4.49Å
484	V	84.5	Confident	77.2	Confident	5 Å²	5	41.2 Å²	41.2	3%	0.03	25%	0.254	C	S	.	.	H	α-helix	trans	-59.2	-43.9	173.2	167.2	0	0	0	0	111.3	L480 R481 K487 K488 T580 D583 L584	L480-V484 WeakPolarHBondContact O-CG2 3.31Å; L480-V484 PolarHBondContact O-N 2.92Å; R481-V484 PolarHBondContact O-N 3.11Å; V484-K487 WeakPolarHBondContact O-CB 3.43Å; V484-K487 PolarHBondContact O-N 2.91Å; V484-K488 HydrophobicContact CG1-CD 4.12Å; V484-K488 WeakPolarHBondContact O-CG 3.49Å; V484-K488 PolarHBondContact O-N 2.78Å; V484-T580 HydrophobicContact CG2-CG2 4.07Å; V484-D583 HydrophobicContact CG1-CB 3.8Å; V484-D583 HydrophobicContact CG2-CB 4.23Å; V484-L584 HydrophobicContact CG2-CB 3.75Å; V484-L584 HydrophobicContact CG2-CD1 4.01Å
485	E	79.9	Confident	76.2	Confident	31 Å²	31	42.2 Å²	42.2	15%	0.145	26%	0.259	C	S	.	.	H	α-helix	trans	-63.7	-45	177.8	-71.3	180	168.6	0	0	111.4	T42 A45 R481 T482 M483 K487 K488 V489	T42-E485 WeakPolarHBondContact CB-OE2 3.43Å; T42-E485 WeakPolarHBondContact CG2-OE1 3.31Å; T42-E485 WeakPolarHBondContact CG2-OE2 3.37Å; T42-E485 PolarHBondContact N-OE1 3.04Å; T42-E485 PolarHBondContact OG1-OE2 3.16Å; A45-E485 VanDerWaalsContact CB-OE2 3.29Å; A45-E485 WeakPolarHBondContact CB-OE2 3.3Å; R481-E485 WeakPolarHBondContact O-CG 3.31Å; R481-E485 PolarHBondContact O-N 2.81Å; T482-E485 PolarHBondContact O-N 3.32Å; M483-E485 VanDerWaalsContact C-N 3.33Å; M483-E485 PolarHBondContact O-N 3.07Å; E485-K487 VanDerWaalsContact C-N 3.32Å; E485-K487 PolarHBondContact O-N 3.49Å; E485-K488 PolarHBondContact O-N 3.01Å; E485-V489 PolarHBondContact O-N 3.19Å; E485-V489 VanDerWaalsContact O-N 3.13Å
486	T	73.8	Confident	75.2	Confident	25 Å²	25	45.3 Å²	45.3	15%	0.153	27%	0.272	C	S	.	.	H	α-helix	trans	-61.5	-38.7	175.7	-58.4	0	0	0	0	112.1	T114 T482 M483 V489 S490	T114-T486 HydrophobicContact CG2-CG2 4.09Å; T482-T486 PolarHBondContact O-N 3.32Å; T482-T486 PolarHBondContact O-OG1 2.99Å; T482-T486 VanDerWaalsContact O-OG1 3.13Å; M483-T486 PolarHBondContact O-N 3.07Å; T486-V489 WeakPolarHBondContact O-CG2 3.13Å; T486-V489 PolarHBondContact O-N 2.83Å; T486-S490 PolarHBondContact O-N 2.97Å; T486-S490 VanDerWaalsContact O-N 3.15Å; T486-S490 PolarHBondContact O-OG 2.91Å
487	K	74.4	Confident	74.4	Confident	31 Å²	31	45.4 Å²	45.4	14%	0.135	27%	0.273	C	S	.	.	H	α-helix	trans	-60.3	-47	173.8	-171.8	-167.6	-178.6	-178.3	0	111.5	M483 V484 E485 V489 S490 G493 L495 L584	M483-K487 PolarHBondContact O-N 3.14Å; V484-K487 WeakPolarHBondContact O-CB 3.43Å; V484-K487 PolarHBondContact O-N 2.91Å; E485-K487 VanDerWaalsContact C-N 3.32Å; E485-K487 PolarHBondContact O-N 3.49Å; K487-V489 VanDerWaalsContact C-N 3.33Å; K487-V489 PolarHBondContact O-N 3.34Å; K487-S490 PolarHBondContact O-N 3.4Å; K487-G493 WeakPolarHBondContact CE-O 3.32Å; K487-L495 HydrophobicContact CB-CD2 3.73Å; K487-L495 HydrophobicContact CD-CD2 3.74Å; K487-L495 HydrophobicContact CD-CG 3.85Å; K487-L495 HydrophobicContact CG-CD2 3.7Å; K487-L495 HydrophobicContact CG-CG 4.07Å; K487-L584 PolarHBondContact NZ-O 2.93Å
488	K	73.2	Confident	73.6	Confident	127 Å²	127	52 Å²	52	55%	0.552	31%	0.308	S	S	*	.	H	α-helix	trans	-63.7	-36.8	-177.5	-74.2	172.9	-178.3	172	0	112	V484 E485 D583	V484-K488 HydrophobicContact CG1-CD 4.12Å; V484-K488 WeakPolarHBondContact O-CG 3.49Å; V484-K488 PolarHBondContact O-N 2.78Å; E485-K488 PolarHBondContact O-N 3.01Å; K488-D583 IonicContact NZ-OD2 2.86Å; K488-D583 PolarHBondContact NZ-OD2 2.93Å
489	V	66	Low	73.4	Confident	75 Å²	75	54.8 Å²	54.8	46%	0.455	32%	0.322	S	S	.	.	H	α-helix	trans	-76.7	-27.6	177.7	-60.9	0	0	0	0	113.5	E485 T486 K487 G491	E485-V489 PolarHBondContact O-N 3.19Å; E485-V489 VanDerWaalsContact O-N 3.13Å; T486-V489 WeakPolarHBondContact O-CG2 3.13Å; T486-V489 PolarHBondContact O-N 2.83Å; K487-V489 VanDerWaalsContact C-N 3.33Å; K487-V489 PolarHBondContact O-N 3.34Å; V489-G491 PolarHBondContact O-N 3.41Å; V489-G491 VanDerWaalsContact O-N 3.11Å
490	S	64.9	Low	73.6	Confident	66 Å²	66	55.4 Å²	55.4	46%	0.462	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-11.3	-176.1	-61.2	0	0	0	0	114.4	T486 K487 S492	T486-S490 PolarHBondContact O-N 2.97Å; T486-S490 VanDerWaalsContact O-N 3.15Å; T486-S490 PolarHBondContact O-OG 2.91Å; K487-S490 PolarHBondContact O-N 3.4Å; S490-S492 PolarHBondContact O-N 3.17Å
491	G	57.3	Low	73.5	Confident	71 Å²	71	56.9 Å²	56.9	73%	0.732	34%	0.335	S	S	*	.	S	Bend	trans	67.6	-19.1	170.9	0	0	0	0	0	116.5	V489 G493	V489-G491 PolarHBondContact O-N 3.41Å; V489-G491 VanDerWaalsContact O-N 3.11Å; G491-G493 VanDerWaalsContact C-N 3.33Å
492	S	60.7	Low	73.5	Confident	88 Å²	88	55.3 Å²	55.3	62%	0.615	33%	0.331	S	S	*	.	S	Bend	trans	-79.4	-11.5	-179.2	-170	0	0	0	0	113.7	S490 M494	S490-S492 PolarHBondContact O-N 3.17Å; S492-M494 PolarHBondContact O-N 2.86Å
493	G	57.8	Low	74	Confident	52 Å²	52	56.7 Å²	56.7	54%	0.536	34%	0.335	S	S	.	.	S	Bend	trans	67.7	-18.7	-172.4	0	0	0	0	0	114.9	K487 G491	K487-G493 WeakPolarHBondContact CE-O 3.32Å; G491-G493 VanDerWaalsContact C-N 3.33Å
494	M	57	Low	74.5	Confident	144 Å²	144	56 Å²	56	71%	0.709	33%	0.331	S	S	*	.	S	Bend	trans	-84.9	138	173	-73	-178.2	72.4	0	0	111.2	S492 N496	S492-M494 PolarHBondContact O-N 2.86Å; M494-N496 PolarHBondContact O-N 3.21Å
495	L	66.6	Low	74.9	Confident	21 Å²	21	57.7 Å²	57.7	11%	0.11	34%	0.339	C	S	.	.			trans	-71.6	112.8	169.3	-75.8	163.6	0	0	0	108.6	L378 M483 K487 L497 I506 L584	L378-L495 HydrophobicContact CD2-CD1 4.17Å; M483-L495 HydrophobicContact CG-CD2 4.36Å; K487-L495 HydrophobicContact CB-CD2 3.73Å; K487-L495 HydrophobicContact CD-CD2 3.74Å; K487-L495 HydrophobicContact CD-CG 3.85Å; K487-L495 HydrophobicContact CG-CD2 3.7Å; K487-L495 HydrophobicContact CG-CG 4.07Å; L495-L497 HydrophobicContact CB-CD1 3.66Å; L495-L497 HydrophobicContact CB-CD2 4.45Å; L495-L497 HydrophobicContact CB-CG 3.78Å; L495-L497 HydrophobicContact CD1-CD1 4.2Å; L495-L497 HydrophobicContact CG-CD1 4.48Å; L495-L497 PolarHBondContact O-N 3.41Å; L495-L497 VanDerWaalsContact O-N 3.15Å; L495-I506 HydrophobicContact CD1-CD1 4.32Å; L495-L584 HydrophobicContact CD1-CD1 3.73Å; L495-L584 HydrophobicContact CD1-CG 4.03Å; L495-L584 HydrophobicContact CD2-CD1 3.61Å; L495-L584 HydrophobicContact CG-CD1 4.25Å
496	N	66.7	Low	75.6	Confident	100 Å²	100	56.2 Å²	56.2	54%	0.535	33%	0.332	S	S	.	.			trans	-73.6	104.8	165.8	-178.6	-38	0	0	0	107.5	M494 D498	M494-N496 PolarHBondContact O-N 3.21Å; N496-D498 PolarHBondContact ND2-OD2 2.85Å; N496-D498 VanDerWaalsContact OD1-CB 3.32Å; N496-D498 WeakPolarHBondContact OD1-CB 3.29Å; N496-D498 PolarHBondContact OD1-N 3.02Å; N496-D498 VanDerWaalsContact OD1-N 3.17Å; N496-D498 PolarHBondContact OD1-OD1 3.23Å; N496-D498 PolarHBondContact OD1-OD2 3.24Å
497	L	74.9	Confident	76.8	Confident	12 Å²	12	55 Å²	55	6%	0.063	33%	0.325	C	S	.	.			trans	-119.5	48.3	-179.6	-62.9	166.3	0	0	0	109.8	V381 M483 L495 N499 D502 R503 I506	V381-L497 HydrophobicContact CB-CD1 4.43Å; V381-L497 HydrophobicContact CG1-CB 4.31Å; V381-L497 HydrophobicContact CG1-CD1 3.37Å; V381-L497 HydrophobicContact CG1-CG 4.48Å; V381-L497 HydrophobicContact CG2-CD1 4.16Å; M483-L497 HydrophobicContact SD-CD2 4.15Å; L495-L497 HydrophobicContact CB-CD1 3.66Å; L495-L497 HydrophobicContact CB-CD2 4.45Å; L495-L497 HydrophobicContact CB-CG 3.78Å; L495-L497 HydrophobicContact CD1-CD1 4.2Å; L495-L497 HydrophobicContact CG-CD1 4.48Å; L495-L497 PolarHBondContact O-N 3.41Å; L495-L497 VanDerWaalsContact O-N 3.15Å; L497-N499 PolarHBondContact O-N 2.9Å; L497-D502 HydrophobicContact CD2-CB 3.55Å; L497-R503 HydrophobicContact CB-CG 3.91Å; L497-R503 WeakPolarHBondContact O-CD 3.34Å; L497-R503 WeakPolarHBondContact O-CG 3.47Å; L497-I506 HydrophobicContact CD1-CD1 3.31Å; L497-I506 HydrophobicContact CD2-CD1 3.49Å; L497-I506 VanDerWaalsContact CD2-CD1 3.49Å; L497-I506 HydrophobicContact CG-CD1 4.03Å
498	D	74.1	Confident	77.9	Confident	139 Å²	139	54.7 Å²	54.7	74%	0.743	32%	0.324	S	S	*	.			trans	-68.3	-20.9	-175.6	-69.1	-15.9	0	0	0	112.4	N496	N496-D498 PolarHBondContact ND2-OD2 2.85Å; N496-D498 VanDerWaalsContact OD1-CB 3.32Å; N496-D498 WeakPolarHBondContact OD1-CB 3.29Å; N496-D498 PolarHBondContact OD1-N 3.02Å; N496-D498 VanDerWaalsContact OD1-N 3.17Å; N496-D498 PolarHBondContact OD1-OD1 3.23Å; N496-D498 PolarHBondContact OD1-OD2 3.24Å
499	N	82.7	Confident	79.1	Confident	64 Å²	64	48.7 Å²	48.7	34%	0.342	30%	0.298	S	S	.	.	S	Bend	trans	-113.3	153.8	-176.2	77.9	62.8	0	0	0	113	L497 A501 D502 R503	L497-N499 PolarHBondContact O-N 2.9Å; N499-A501 VanDerWaalsContact C-N 3.29Å; N499-A501 PolarHBondContact O-N 3.31Å; N499-A501 WeakPolarHBondContact OD1-CA 3.4Å; N499-A501 WeakPolarHBondContact OD1-CB 3.47Å; N499-A501 PolarHBondContact OD1-N 2.96Å; N499-D502 PolarHBondContact ND2-OD2 3.24Å; N499-D502 PolarHBondContact OD1-N 3.19Å; N499-D502 PolarHBondContact OD1-OD2 3.36Å; N499-R503 VanDerWaalsContact O-CD 3.23Å; N499-R503 WeakPolarHBondContact O-CD 3.48Å; N499-R503 VanDerWaalsContact O-CG 3.24Å; N499-R503 WeakPolarHBondContact O-CG 3.4Å; N499-R503 PolarHBondContact O-N 2.8Å
500	Y	88.6	Confident	80.7	Confident	36 Å²	36	45.1 Å²	45.1	14%	0.141	28%	0.276	C	S	.	.	H	α-helix	trans	-60.5	-35	-179.6	172.7	-93.3	0	0	0	113.5	R176 R459 M460 E463 R503 I504	R176-Y500 HydrophobicContact CG-CD1 4.1Å; R176-Y500 HydrophobicContact CG-CE1 3.78Å; R459-Y500 PolarHBondContact NE-OH 3.1Å; R459-Y500 VanDerWaalsContact NE-OH 3.13Å; M460-Y500 HydrophobicContact CG-CE2 3.73Å; M460-Y500 VanDerWaalsContact CG-OH 3.29Å; M460-Y500 WeakPolarHBondContact CG-OH 3.46Å; M460-Y500 HydrophobicContact SD-CE2 3.91Å; E463-Y500 PolarHBondContact OE1-OH 2.91Å; Y500-R503 PolarHBondContact O-N 3.18Å; Y500-I504 HydrophobicContact CD1-CG2 4.29Å; Y500-I504 HydrophobicContact CE1-CB 4.25Å; Y500-I504 HydrophobicContact CE1-CG2 3.99Å; Y500-I504 WeakPolarHBondContact O-CG2 3.44Å; Y500-I504 PolarHBondContact O-N 3.38Å
501	A	87.6	Confident	82.3	Confident	31 Å²	31	42 Å²	42	26%	0.256	25%	0.254	S	S	.	.	H	α-helix	trans	-66.7	-44.6	-173.8	0	0	0	0	0	111.3	N499 R503 I504 Q505	N499-A501 VanDerWaalsContact C-N 3.29Å; N499-A501 PolarHBondContact O-N 3.31Å; N499-A501 WeakPolarHBondContact OD1-CA 3.4Å; N499-A501 WeakPolarHBondContact OD1-CB 3.47Å; N499-A501 PolarHBondContact OD1-N 2.96Å; A501-R503 VanDerWaalsContact C-N 3.33Å; A501-R503 PolarHBondContact O-N 3.33Å; A501-I504 VanDerWaalsContact O-CG2 3.28Å; A501-I504 WeakPolarHBondContact O-CG2 3.43Å; A501-Q505 WeakPolarHBondContact O-CG 3.38Å; A501-Q505 PolarHBondContact O-N 2.76Å; A501-Q505 VanDerWaalsContact O-N 3.1Å
502	D	86.8	Confident	84.3	Confident	17 Å²	17	38.6 Å²	38.6	9%	0.091	22%	0.219	C	C	.	.	H	α-helix	trans	-66.8	-39.6	177.5	-56.8	-27.7	0	0	0	110.7	M483 L497 N499 Q505 I506	M483-D502 HydrophobicContact CE-CB 4.13Å; M483-D502 WeakPolarHBondContact CE-O 3.28Å; L497-D502 HydrophobicContact CD2-CB 3.55Å; N499-D502 PolarHBondContact ND2-OD2 3.24Å; N499-D502 PolarHBondContact OD1-N 3.19Å; N499-D502 PolarHBondContact OD1-OD2 3.36Å; D502-Q505 PolarHBondContact O-N 2.68Å; D502-I506 PolarHBondContact O-N 3.42Å; D502-I506 VanDerWaalsContact O-N 3.13Å
503	R	93	Very high	86.1	Confident	39 Å²	39	34.4 Å²	34.4	15%	0.147	19%	0.19	C	C	.	.	H	α-helix	trans	-64.8	-45.6	179.8	-63.2	162.3	71.2	80.9	-0.7	112.1	V381 F382 E386 L497 N499 Y500 A501 Q505 I506 L507	V381-R503 PolarHBondContact O-NH1 3.15Å; V381-R503 PolarHBondContact O-NH2 2.96Å; F382-R503 HydrophobicContact CE1-CB 4.35Å; E386-R503 VanDerWaalsContact CD-NH2 3.33Å; E386-R503 IonicContact OE1-CZ 2.96Å; E386-R503 IonicContact OE1-NE 3.89Å; E386-R503 PolarHBondContact OE1-NE 2.78Å; E386-R503 IonicContact OE1-NH2 3.16Å; E386-R503 PolarHBondContact OE1-NH2 3.34Å; E386-R503 IonicContact OE2-CZ 3.49Å; E386-R503 IonicContact OE2-NE 3.46Å; E386-R503 IonicContact OE2-NH2 2.88Å; E386-R503 PolarHBondContact OE2-NH2 2.94Å; L497-R503 HydrophobicContact CB-CG 3.91Å; L497-R503 WeakPolarHBondContact O-CD 3.34Å; L497-R503 WeakPolarHBondContact O-CG 3.47Å; N499-R503 VanDerWaalsContact O-CD 3.23Å; N499-R503 WeakPolarHBondContact O-CD 3.48Å; N499-R503 VanDerWaalsContact O-CG 3.24Å; N499-R503 WeakPolarHBondContact O-CG 3.4Å; N499-R503 PolarHBondContact O-N 2.8Å; Y500-R503 PolarHBondContact O-N 3.18Å; A501-R503 VanDerWaalsContact C-N 3.33Å; A501-R503 PolarHBondContact O-N 3.33Å; R503-Q505 VanDerWaalsContact C-N 3.33Å; R503-I506 PolarHBondContact O-N 3.2Å; R503-L507 WeakPolarHBondContact O-CG 3.45Å; R503-L507 PolarHBondContact O-N 2.95Å; R503-L507 VanDerWaalsContact O-N 3.12Å
504	I	94.6	Very high	88	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-67.6	-35.5	179	-166.2	62	0	0	0	111.2	M460 E463 L464 Y500 A501 I506 L507 Q508	M460-I504 HydrophobicContact CB-CD1 4.14Å; M460-I504 HydrophobicContact CG-CD1 4.14Å; E463-I504 HydrophobicContact CB-CD1 4.36Å; E463-I504 HydrophobicContact CB-CG1 4.1Å; L464-I504 HydrophobicContact CD1-CD1 4.45Å; L464-I504 HydrophobicContact CD2-CD1 4.03Å; L464-I504 HydrophobicContact CG-CD1 4.02Å; Y500-I504 HydrophobicContact CD1-CG2 4.29Å; Y500-I504 HydrophobicContact CE1-CB 4.25Å; Y500-I504 HydrophobicContact CE1-CG2 3.99Å; Y500-I504 WeakPolarHBondContact O-CG2 3.44Å; Y500-I504 PolarHBondContact O-N 3.38Å; A501-I504 VanDerWaalsContact O-CG2 3.28Å; A501-I504 WeakPolarHBondContact O-CG2 3.43Å; I504-I506 PolarHBondContact O-N 3.47Å; I504-L507 HydrophobicContact CD1-CD1 4.5Å; I504-L507 PolarHBondContact O-N 3.37Å; I504-Q508 HydrophobicContact CG1-CG 4.35Å; I504-Q508 WeakPolarHBondContact O-CB 3.42Å; I504-Q508 VanDerWaalsContact O-CG 3.28Å; I504-Q508 WeakPolarHBondContact O-CG 3.34Å; I504-Q508 PolarHBondContact O-N 3.34Å
505	Q	93.2	Very high	90	Very high	41 Å²	41	25.4 Å²	25.4	19%	0.192	13%	0.133	C	C	.	.	H	α-helix	trans	-61.2	-40.6	174.4	-80.6	179.2	-16.3	0	0	112.8	D479 M483 A501 D502 R503 N509	D479-Q505 VanDerWaalsContact CG-NE2 3.28Å; D479-Q505 PolarHBondContact OD2-NE2 3.07Å; M483-Q505 HydrophobicContact CE-CB 3.81Å; A501-Q505 WeakPolarHBondContact O-CG 3.38Å; A501-Q505 PolarHBondContact O-N 2.76Å; A501-Q505 VanDerWaalsContact O-N 3.1Å; D502-Q505 PolarHBondContact O-N 2.68Å; R503-Q505 VanDerWaalsContact C-N 3.33Å; Q505-N509 PolarHBondContact O-N 3.43Å; Q505-N509 PolarHBondContact O-ND2 3.39Å
506	I	95.1	Very high	91.5	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64.4	-44.9	173.7	-63.9	173.5	0	0	0	110.4	L378 F382 M483 L495 L497 D502 R503 I504 Q508 N509 M510 W581 L584	L378-I506 HydrophobicContact CD2-CG2 4.45Å; F382-I506 HydrophobicContact CZ-CB 4.08Å; F382-I506 HydrophobicContact CZ-CG2 3.72Å; M483-I506 HydrophobicContact CE-CG1 3.91Å; M483-I506 HydrophobicContact SD-CD1 3.5Å; M483-I506 WeakPolarHBondContact SD-CD1 3.35Å; M483-I506 HydrophobicContact SD-CG1 3.24Å; M483-I506 WeakPolarHBondContact SD-CG1 3.34Å; L495-I506 HydrophobicContact CD1-CD1 4.32Å; L497-I506 HydrophobicContact CD1-CD1 3.31Å; L497-I506 HydrophobicContact CD2-CD1 3.49Å; L497-I506 VanDerWaalsContact CD2-CD1 3.49Å; L497-I506 HydrophobicContact CG-CD1 4.03Å; D502-I506 PolarHBondContact O-N 3.42Å; D502-I506 VanDerWaalsContact O-N 3.13Å; R503-I506 PolarHBondContact O-N 3.2Å; I504-I506 PolarHBondContact O-N 3.47Å; I506-Q508 VanDerWaalsContact C-N 3.33Å; I506-Q508 PolarHBondContact O-N 3.08Å; I506-N509 CarbonylContact O-C 3.59Å; I506-N509 PolarHBondContact O-N 3.41Å; I506-M510 WeakPolarHBondContact O-CB 3.34Å; I506-M510 PolarHBondContact O-N 2.91Å; I506-W581 HydrophobicContact CG2-CH2 4.03Å; I506-W581 HydrophobicContact CG2-CZ3 4.06Å; I506-L584 HydrophobicContact CD1-CD2 4.43Å; I506-L584 HydrophobicContact CG1-CD2 4.24Å; I506-L584 HydrophobicContact CG2-CD2 4.28Å
507	L	98	Very high	93.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-66	-36.2	-179.1	-65.4	168.6	0	0	0	112.1	L373 F382 E386 V390 L464 R503 I504 M510 I511	L373-L507 HydrophobicContact CD2-CD2 4.42Å; F382-L507 HydrophobicContact CD1-CD1 3.9Å; F382-L507 HydrophobicContact CD1-CD2 3.79Å; F382-L507 HydrophobicContact CD1-CG 3.92Å; F382-L507 HydrophobicContact CD2-CD2 4.13Å; F382-L507 HydrophobicContact CE1-CD1 3.93Å; F382-L507 HydrophobicContact CE1-CD2 3.6Å; F382-L507 HydrophobicContact CE1-CG 3.52Å; F382-L507 HydrophobicContact CE2-CD2 3.96Å; F382-L507 HydrophobicContact CG-CD2 4.05Å; F382-L507 HydrophobicContact CZ-CD2 3.69Å; F382-L507 HydrophobicContact CZ-CG 3.95Å; E386-L507 HydrophobicContact CB-CD1 3.84Å; E386-L507 HydrophobicContact CG-CD1 4.09Å; V390-L507 HydrophobicContact CB-CD2 4.18Å; V390-L507 HydrophobicContact CG1-CD2 4.13Å; V390-L507 HydrophobicContact CG2-CD2 4.4Å; L464-L507 HydrophobicContact CD2-CB 3.57Å; L464-L507 WeakPolarHBondContact CD2-O 3.33Å; R503-L507 WeakPolarHBondContact O-CG 3.45Å; R503-L507 PolarHBondContact O-N 2.95Å; R503-L507 VanDerWaalsContact O-N 3.12Å; I504-L507 HydrophobicContact CD1-CD1 4.5Å; I504-L507 PolarHBondContact O-N 3.37Å; L507-M510 HydrophobicContact CD2-SD 4.44Å; L507-M510 WeakPolarHBondContact O-CB 3.49Å; L507-M510 PolarHBondContact O-N 3.12Å; L507-I511 WeakPolarHBondContact O-CG2 3.4Å; L507-I511 PolarHBondContact O-N 3.49Å
508	Q	98.2	Very high	94.2	Very high	24 Å²	24	20.2 Å²	20.2	11%	0.112	11%	0.105	C	C	.	.	H	α-helix	trans	-62.8	-47	172.7	-74.8	174.8	-54.8	0	0	111.1	E463 L464 A467 L476 I504 I506 M510 I511 H512	E463-Q508 PolarHBondContact O-NE2 3.16Å; L464-Q508 HydrophobicContact CD2-CG 4.01Å; A467-Q508 HydrophobicContact CB-CB 3.76Å; A467-Q508 HydrophobicContact CB-CG 3.72Å; L476-Q508 HydrophobicContact CD2-CB 3.93Å; I504-Q508 HydrophobicContact CG1-CG 4.35Å; I504-Q508 WeakPolarHBondContact O-CB 3.42Å; I504-Q508 VanDerWaalsContact O-CG 3.28Å; I504-Q508 WeakPolarHBondContact O-CG 3.34Å; I504-Q508 PolarHBondContact O-N 3.34Å; I506-Q508 VanDerWaalsContact C-N 3.33Å; I506-Q508 PolarHBondContact O-N 3.08Å; Q508-M510 VanDerWaalsContact C-N 3.29Å; Q508-M510 PolarHBondContact O-N 3.02Å; Q508-I511 VanDerWaalsContact O-CG2 3.24Å; Q508-I511 WeakPolarHBondContact O-CG2 3.43Å; Q508-H512 VanDerWaalsContact O-CB 3.3Å; Q508-H512 WeakPolarHBondContact O-CB 3.46Å; Q508-H512 PolarHBondContact O-N 2.65Å
509	N	98	Very high	95.4	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-65.2	-33.2	174	-83.7	-82.5	0	0	0	112.4	L476 L480 Q505 I506 H512 C513 W581	L476-N509 PolarHBondContact O-ND2 3.02Å; L476-N509 PolarHBondContact O-OD1 3.49Å; L476-N509 VanDerWaalsContact O-OD1 3.12Å; L480-N509 HydrophobicContact CD1-CB 3.93Å; L480-N509 HydrophobicContact CD2-CB 4.26Å; Q505-N509 PolarHBondContact O-N 3.43Å; Q505-N509 PolarHBondContact O-ND2 3.39Å; I506-N509 CarbonylContact O-C 3.59Å; I506-N509 PolarHBondContact O-N 3.41Å; N509-H512 PolarHBondContact O-N 3.29Å; N509-C513 WeakPolarHBondContact O-CB 3.47Å; N509-C513 PolarHBondContact O-N 3.47Å; N509-C513 PolarHBondContact O-SG 3.19Å; N509-W581 HydrophobicContact CB-CE3 4.47Å; N509-W581 HydrophobicContact CB-CZ3 4.32Å
510	M	98.6	Very high	96.1	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-65.6	-48.7	178.7	-175.9	-177.7	-73.4	0	0	111.8	L372 L373 L378 F382 I506 L507 Q508 H512 C513 A514 W581	L372-M510 HydrophobicContact CB-CE 4.3Å; L372-M510 HydrophobicContact CB-CG 3.72Å; L372-M510 HydrophobicContact CB-SD 4.05Å; L372-M510 HydrophobicContact CD1-CG 3.92Å; L372-M510 HydrophobicContact CG-CG 4.49Å; L373-M510 HydrophobicContact CD2-CE 3.94Å; L373-M510 HydrophobicContact CD2-SD 3.72Å; L373-M510 HydrophobicContact CG-CE 4.24Å; L373-M510 HydrophobicContact CG-SD 3.63Å; L378-M510 HydrophobicContact CD1-CE 3.57Å; F382-M510 HydrophobicContact CE2-CE 4.09Å; I506-M510 WeakPolarHBondContact O-CB 3.34Å; I506-M510 PolarHBondContact O-N 2.91Å; L507-M510 HydrophobicContact CD2-SD 4.44Å; L507-M510 WeakPolarHBondContact O-CB 3.49Å; L507-M510 PolarHBondContact O-N 3.12Å; Q508-M510 VanDerWaalsContact C-N 3.29Å; Q508-M510 PolarHBondContact O-N 3.02Å; M510-H512 VanDerWaalsContact C-N 3.32Å; M510-C513 PolarHBondContact O-N 3.05Å; M510-A514 WeakPolarHBondContact O-CB 3.46Å; M510-A514 PolarHBondContact O-N 2.95Å; M510-W581 HydrophobicContact CB-CH2 3.63Å; M510-W581 HydrophobicContact CB-CZ2 4.46Å; M510-W581 HydrophobicContact CB-CZ3 3.99Å; M510-W581 HydrophobicContact CE-CH2 3.64Å; M510-W581 HydrophobicContact CE-CZ2 4Å; M510-W581 HydrophobicContact CG-CH2 3.9Å; M510-W581 HydrophobicContact CG-CZ2 4.29Å
511	I	98.8	Very high	96.6	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-66.3	-37.7	176.8	-169.3	171.2	0	0	0	110.9	V365 V390 A393 A394 L464 T468 L507 Q508 A514 D515	V365-I511 HydrophobicContact CG1-CG1 4.4Å; V390-I511 HydrophobicContact CG2-CB 4.27Å; A393-I511 HydrophobicContact CB-CD1 3.75Å; A394-I511 HydrophobicContact CB-CD1 4.14Å; A394-I511 HydrophobicContact CB-CG1 4.38Å; L464-I511 HydrophobicContact CB-CG2 4.43Å; L464-I511 HydrophobicContact CD2-CG2 4.21Å; T468-I511 HydrophobicContact CG2-CD1 4.13Å; T468-I511 HydrophobicContact CG2-CG1 4.05Å; T468-I511 HydrophobicContact CG2-CG2 4.25Å; L507-I511 WeakPolarHBondContact O-CG2 3.4Å; L507-I511 PolarHBondContact O-N 3.49Å; Q508-I511 VanDerWaalsContact O-CG2 3.24Å; Q508-I511 WeakPolarHBondContact O-CG2 3.43Å; I511-A514 WeakPolarHBondContact O-CB 3.41Å; I511-A514 PolarHBondContact O-N 3.34Å; I511-D515 WeakPolarHBondContact O-CB 3.21Å; I511-D515 PolarHBondContact O-N 2.92Å
512	H	98.5	Very high	97.1	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-64.8	-39.7	174.9	-166.2	51.9	0	0	0	113	H473 L476 Q508 N509 M510 D515 L516	H473-H512 AromaticContact CG-NE2 3.6Å; H473-H512 AromaticContact ND1-CD2 3.92Å; H473-H512 AromaticContact ND1-NE2 3.11Å; H473-H512 PolarHBondContact ND1-NE2 3.15Å; H473-H512 VanDerWaalsContact ND1-NE2 3.11Å; L476-H512 HydrophobicContact CD1-CB 4.18Å; Q508-H512 VanDerWaalsContact O-CB 3.3Å; Q508-H512 WeakPolarHBondContact O-CB 3.46Å; Q508-H512 PolarHBondContact O-N 2.65Å; N509-H512 PolarHBondContact O-N 3.29Å; M510-H512 VanDerWaalsContact C-N 3.32Å; H512-D515 PolarHBondContact O-N 3.36Å; H512-L516 WeakPolarHBondContact O-CB 3.46Å; H512-L516 PolarHBondContact O-N 2.84Å
513	C	98.7	Very high	97.7	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-64.4	-41.8	171.6	-70.8	0	0	0	0	111.1	L372 N509 M510 D515 L516 S517 W578	L372-C513 HydrophobicContact CD1-CB 4.17Å; N509-C513 WeakPolarHBondContact O-CB 3.47Å; N509-C513 PolarHBondContact O-N 3.47Å; N509-C513 PolarHBondContact O-SG 3.19Å; M510-C513 PolarHBondContact O-N 3.05Å; C513-D515 VanDerWaalsContact C-N 3.29Å; C513-D515 PolarHBondContact O-N 3.11Å; C513-L516 CarbonylContact O-C 3.51Å; C513-L516 VanDerWaalsContact O-C 3.29Å; C513-L516 PolarHBondContact O-N 3.33Å; C513-S517 WeakPolarHBondContact O-CA 3.48Å; C513-S517 WeakPolarHBondContact O-CB 3.38Å; C513-S517 PolarHBondContact O-N 3.04Å; C513-S517 VanDerWaalsContact O-N 3.11Å; C513-W578 HydrophobicContact CB-CH2 3.88Å; C513-W578 HydrophobicContact CB-CZ2 3.96Å; C513-W578 HydrophobicContact CB-CZ3 4.28Å; C513-W578 WeakPolarHBondContact O-CZ2 3.35Å
514	A	98.8	Very high	98	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.7	-39.5	177.9	0	0	0	0	0	111.9	V365 T368 A369 L372 M510 I511 S517	V365-A514 HydrophobicContact CG1-CB 3.87Å; T368-A514 HydrophobicContact CG2-CB 3.86Å; A369-A514 HydrophobicContact CB-CB 4.14Å; L372-A514 HydrophobicContact CD1-CB 4.17Å; M510-A514 WeakPolarHBondContact O-CB 3.46Å; M510-A514 PolarHBondContact O-N 2.95Å; I511-A514 WeakPolarHBondContact O-CB 3.41Å; I511-A514 PolarHBondContact O-N 3.34Å; A514-S517 WeakPolarHBondContact O-CB 3.46Å; A514-S517 PolarHBondContact O-N 3.15Å; A514-S517 PolarHBondContact O-OG 3.31Å
515	D	98.8	Very high	98.2	Very high	8 Å²	8	16 Å²	16	4%	0.043	8%	0.077	C	C	.	.	H	α-helix	trans	-66.2	-46.8	174.7	-168.7	3.3	0	0	0	111.5	H361 V365 M470 I511 H512 C513 S517	H361-D515 IonicContact CE1-OD1 3.54Å; H361-D515 PolarHBondContact CE1-OD1 3.11Å; H361-D515 IonicContact NE2-OD1 2.73Å; H361-D515 PolarHBondContact NE2-OD1 3.32Å; V365-D515 HydrophobicContact CG1-CB 4.47Å; V365-D515 HydrophobicContact CG2-CB 4.45Å; M470-D515 WeakPolarHBondContact CE-OD2 3.31Å; I511-D515 WeakPolarHBondContact O-CB 3.21Å; I511-D515 PolarHBondContact O-N 2.92Å; H512-D515 PolarHBondContact O-N 3.36Å; C513-D515 VanDerWaalsContact C-N 3.29Å; C513-D515 PolarHBondContact O-N 3.11Å; D515-S517 PolarHBondContact O-N 3.04Å; D515-S517 VanDerWaalsContact O-N 3.09Å
516	L	98.6	Very high	98.4	Very high	12 Å²	12	14.2 Å²	14.2	6%	0.063	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	31.5	175.9	-60.9	-174.6	0	0	0	114.2	F155 M470 H512 C513 F569 V573 L577 W578	F155-L516 HydrophobicContact CE1-CD1 4.4Å; M470-L516 HydrophobicContact CE-CD2 3.85Å; M470-L516 HydrophobicContact CE-CG 4.28Å; M470-L516 HydrophobicContact SD-CD1 4.25Å; M470-L516 HydrophobicContact SD-CD2 3.83Å; M470-L516 HydrophobicContact SD-CG 4.28Å; H512-L516 WeakPolarHBondContact O-CB 3.46Å; H512-L516 PolarHBondContact O-N 2.84Å; C513-L516 CarbonylContact O-C 3.51Å; C513-L516 VanDerWaalsContact O-C 3.29Å; C513-L516 PolarHBondContact O-N 3.33Å; L516-F569 HydrophobicContact CD2-CZ 4.1Å; L516-V573 HydrophobicContact CD1-CG1 4.24Å; L516-L577 HydrophobicContact CB-CD2 4.2Å; L516-L577 HydrophobicContact CD1-CD2 3.84Å; L516-W578 PolarHBondContact O-NE1 3.16Å
517	S	98.8	Very high	98.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-23.4	-173.4	67.1	0	0	0	0	114.8	C513 A514 D515 P519 A520 K521	C513-S517 WeakPolarHBondContact O-CA 3.48Å; C513-S517 WeakPolarHBondContact O-CB 3.38Å; C513-S517 PolarHBondContact O-N 3.04Å; C513-S517 VanDerWaalsContact O-N 3.11Å; A514-S517 WeakPolarHBondContact O-CB 3.46Å; A514-S517 PolarHBondContact O-N 3.15Å; A514-S517 PolarHBondContact O-OG 3.31Å; D515-S517 PolarHBondContact O-N 3.04Å; D515-S517 VanDerWaalsContact O-N 3.09Å; S517-P519 VanDerWaalsContact C-CD 3.5Å; S517-P519 VanDerWaalsContact C-N 3.34Å; S517-A520 WeakPolarHBondContact O-CA 3.4Å; S517-A520 PolarHBondContact O-N 2.95Å; S517-K521 WeakPolarHBondContact O-CG 3.48Å; S517-K521 PolarHBondContact O-N 3.21Å; S517-K521 PolarHBondContact OG-NZ 2.94Å
518	N	98.6	Very high	98.6	Very high	12 Å²	12	23.8 Å²	23.8	6%	0.064	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-57.1	-40.5	-168.9	-34.1	99.4	0	0	0	113.5	Y356 D364 A520 K521 Y526 W529	Y356-N518 PolarHBondContact OH-OD1 3.5Å; D364-N518 PolarHBondContact OD2-ND2 3.03Å; D364-N518 VanDerWaalsContact OD2-ND2 3.14Å; N518-A520 PolarHBondContact O-N 2.76Å; N518-A520 VanDerWaalsContact O-N 3.15Å; N518-K521 WeakPolarHBondContact O-CB 3.5Å; N518-K521 PolarHBondContact O-N 2.74Å; N518-Y526 HydrophobicContact CB-CD2 4.22Å; N518-Y526 VanDerWaalsContact O-CB 3.25Å; N518-Y526 WeakPolarHBondContact O-CB 3.45Å; N518-Y526 WeakPolarHBondContact O-CD2 3.49Å; N518-W529 HydrophobicContact CB-CB 3.77Å; N518-W529 HydrophobicContact CB-CG 3.94Å; N518-W529 VanDerWaalsContact ND2-CD1 3.27Å; N518-W529 PolarHBondContact ND2-NE1 3.42Å
519	P	98.8	Very high	98.7	Very high	4 Å²	4	22.8 Å²	22.8	3%	0.026	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-61.3	-20.6	176.6	-26.4	37.7	0	0	0	115.1	S517 Y526 F569 I570 L596 N599	S517-P519 VanDerWaalsContact C-CD 3.5Å; S517-P519 VanDerWaalsContact C-N 3.34Å; P519-Y526 HydrophobicContact CB-CD2 4.45Å; P519-Y526 HydrophobicContact CB-CE1 3.97Å; P519-Y526 HydrophobicContact CB-CE2 3.87Å; P519-Y526 HydrophobicContact CG-CD2 4.4Å; P519-Y526 HydrophobicContact CG-CE2 3.68Å; P519-F569 HydrophobicContact CG-CD1 4.22Å; P519-F569 HydrophobicContact CG-CE1 3.96Å; P519-I570 HydrophobicContact CB-CD1 4.14Å; P519-I570 HydrophobicContact CB-CG1 3.91Å; P519-L596 HydrophobicContact CB-CD1 3.61Å; P519-L596 WeakPolarHBondContact O-CD1 3.49Å; P519-N599 PolarHBondContact O-ND2 3.33Å
520	A	98.7	Very high	98.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-100.4	1.6	177.5	0	0	0	0	0	113.2	W299 S517 N518 I592 T595 L596	W299-A520 HydrophobicContact CZ2-CB 3.94Å; W299-A520 PolarHBondContact NE1-O 2.99Å; S517-A520 WeakPolarHBondContact O-CA 3.4Å; S517-A520 PolarHBondContact O-N 2.95Å; N518-A520 PolarHBondContact O-N 2.76Å; N518-A520 VanDerWaalsContact O-N 3.15Å; A520-I592 HydrophobicContact CB-CG2 3.49Å; A520-I592 VanDerWaalsContact CB-CG2 3.49Å; A520-T595 WeakPolarHBondContact O-CB 3.25Å; A520-T595 VanDerWaalsContact O-CG2 3.23Å; A520-T595 WeakPolarHBondContact O-CG2 3.41Å; A520-L596 HydrophobicContact CB-CB 3.95Å; A520-L596 HydrophobicContact CB-CD1 4.18Å
521	K	98.8	Very high	98.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-80.7	161	173.4	-62.1	-76.8	170	64.7	0	110.5	W299 D364 T368 S517 N518 L523 L525 N599	W299-K521 HydrophobicContact CD2-CD 4.33Å; W299-K521 HydrophobicContact CH2-CD 4.48Å; W299-K521 HydrophobicContact CZ2-CD 3.83Å; W299-K521 HydrophobicContact CZ2-CG 4.26Å; D364-K521 VanDerWaalsContact CG-NZ 3.31Å; D364-K521 IonicContact OD1-NZ 3.68Å; D364-K521 PolarHBondContact OD1-NZ 3.44Å; D364-K521 IonicContact OD2-NZ 3.97Å; D364-K521 PolarHBondContact OD2-NZ 3.1Å; T368-K521 WeakPolarHBondContact OG1-CE 3.23Å; T368-K521 PolarHBondContact OG1-NZ 3.38Å; S517-K521 WeakPolarHBondContact O-CG 3.48Å; S517-K521 PolarHBondContact O-N 3.21Å; S517-K521 PolarHBondContact OG-NZ 2.94Å; N518-K521 WeakPolarHBondContact O-CB 3.5Å; N518-K521 PolarHBondContact O-N 2.74Å; K521-L523 PolarHBondContact O-N 3.27Å; K521-L525 HydrophobicContact CB-CB 4.31Å; K521-N599 PolarHBondContact O-ND2 3.4Å
522	P	98.7	Very high	98.7	Very high	54 Å²	54	28.2 Å²	28.2	35%	0.351	14%	0.137	S	C	.	.			trans	-47.8	134.2	173.7	-29.8	34.6	0	0	0	112.7	R524 L525 Y526	P522-R524 PolarHBondContact O-N 2.9Å; P522-L525 WeakPolarHBondContact O-CA 3.36Å; P522-L525 WeakPolarHBondContact O-CB 3.33Å; P522-L525 PolarHBondContact O-N 3.21Å; P522-Y526 PolarHBondContact O-N 3.47Å; P522-Y526 VanDerWaalsContact O-N 3.14Å
523	L	98.7	Very high	98.7	Very high	46 Å²	46	29.7 Å²	29.7	24%	0.241	14%	0.144	C	C	.	.	H	α-helix	trans	-46.2	-38.4	-168.9	-178	63.7	0	0	0	114.9	K521 L525 Y526 R527 N599 W602 Y603	K521-L523 PolarHBondContact O-N 3.27Å; L523-L525 VanDerWaalsContact C-N 3.34Å; L523-L525 PolarHBondContact O-N 2.99Å; L523-Y526 PolarHBondContact O-N 2.92Å; L523-R527 HydrophobicContact CD1-CG 3.97Å; L523-R527 HydrophobicContact CG-CG 4.28Å; L523-R527 WeakPolarHBondContact O-CB 3.3Å; L523-R527 VanDerWaalsContact O-CG 3.23Å; L523-R527 WeakPolarHBondContact O-CG 3.49Å; L523-R527 PolarHBondContact O-N 3.3Å; L523-N599 WeakPolarHBondContact CA-OD1 3.14Å; L523-N599 WeakPolarHBondContact CB-OD1 3.09Å; L523-W602 HydrophobicContact CD1-CB 4.43Å; L523-W602 HydrophobicContact CD1-CD2 3.83Å; L523-W602 HydrophobicContact CD1-CE3 3.85Å; L523-W602 HydrophobicContact CD1-CG 4.08Å; L523-W602 HydrophobicContact CD2-CB 4.41Å; L523-W602 VanDerWaalsContact CD2-CD1 3.43Å; L523-W602 HydrophobicContact CD2-CD2 3.65Å; L523-W602 HydrophobicContact CD2-CE3 4.45Å; L523-W602 HydrophobicContact CD2-CG 3.57Å; L523-W602 HydrophobicContact CD2-CZ2 4.4Å; L523-W602 HydrophobicContact CG-CD2 4.34Å; L523-W602 HydrophobicContact CG-CG 4.49Å; L523-Y603 HydrophobicContact CD1-CE2 4.34Å
524	R	98.7	Very high	98.7	Very high	130 Å²	130	30.4 Å²	30.4	49%	0.491	15%	0.148	S	C	.	.	H	α-helix	trans	-60.8	-41.7	177.6	-175.7	-171.2	62	91.4	7.8	112.3	D302 P522 K528	D302-R524 IonicContact OD1-NH1 2.73Å; D302-R524 IonicContact OD1-NH2 3.04Å; D302-R524 IonicContact OD2-CZ 3.89Å; D302-R524 IonicContact OD2-NH1 3.76Å; D302-R524 PolarHBondContact OD2-NH1 2.86Å; D302-R524 IonicContact OD2-NH2 3.28Å; D302-R524 PolarHBondContact OD2-NH2 3.17Å; P522-R524 PolarHBondContact O-N 2.9Å; R524-K528 PolarHBondContact O-N 2.9Å
525	L	98.8	Very high	98.7	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-72.3	-46.9	177.5	-62	-178.9	0	0	0	110.4	G300 V301 D302 F304 K521 P522 L523 R527 K528 W529	G300-L525 WeakPolarHBondContact O-CD1 3.44Å; V301-L525 WeakPolarHBondContact O-CD1 3.41Å; D302-L525 HydrophobicContact CB-CD2 4.14Å; D302-L525 WeakPolarHBondContact OD1-CD2 3.41Å; F304-L525 HydrophobicContact CD2-CD2 3.78Å; F304-L525 HydrophobicContact CE2-CD2 3.94Å; K521-L525 HydrophobicContact CB-CB 4.31Å; P522-L525 WeakPolarHBondContact O-CA 3.36Å; P522-L525 WeakPolarHBondContact O-CB 3.33Å; P522-L525 PolarHBondContact O-N 3.21Å; L523-L525 VanDerWaalsContact C-N 3.34Å; L523-L525 PolarHBondContact O-N 2.99Å; L525-R527 VanDerWaalsContact C-N 3.32Å; L525-R527 PolarHBondContact O-N 3.44Å; L525-K528 WeakPolarHBondContact O-CB 3.48Å; L525-K528 PolarHBondContact O-N 3.11Å; L525-K528 VanDerWaalsContact O-N 3.08Å; L525-W529 PolarHBondContact O-N 3.34Å
526	Y	98.8	Very high	98.7	Very high	3 Å²	3	33.5 Å²	33.5	1%	0.012	16%	0.162	C	C	.	.	H	α-helix	trans	-54	-49.4	177.5	179.1	-158.6	0	0	0	111.3	N518 P519 P522 L523 K528 W529 T530 Q566 I570 N599 Y603	N518-Y526 HydrophobicContact CB-CD2 4.22Å; N518-Y526 VanDerWaalsContact O-CB 3.25Å; N518-Y526 WeakPolarHBondContact O-CB 3.45Å; N518-Y526 WeakPolarHBondContact O-CD2 3.49Å; P519-Y526 HydrophobicContact CB-CD2 4.45Å; P519-Y526 HydrophobicContact CB-CE1 3.97Å; P519-Y526 HydrophobicContact CB-CE2 3.87Å; P519-Y526 HydrophobicContact CG-CD2 4.4Å; P519-Y526 HydrophobicContact CG-CE2 3.68Å; P522-Y526 PolarHBondContact O-N 3.47Å; P522-Y526 VanDerWaalsContact O-N 3.14Å; L523-Y526 PolarHBondContact O-N 2.92Å; Y526-K528 VanDerWaalsContact C-N 3.3Å; Y526-K528 PolarHBondContact O-N 3.37Å; Y526-W529 WeakPolarHBondContact O-CA 3.45Å; Y526-W529 WeakPolarHBondContact O-CB 3.16Å; Y526-W529 PolarHBondContact O-N 3.16Å; Y526-T530 WeakPolarHBondContact CD2-OG1 3.44Å; Y526-T530 WeakPolarHBondContact CE2-OG1 3.49Å; Y526-T530 PolarHBondContact O-N 3.22Å; Y526-T530 PolarHBondContact O-OG1 2.96Å; Y526-Q566 VanDerWaalsContact CE2-OE1 3.26Å; Y526-Q566 PolarHBondContact OH-OE1 2.93Å; Y526-I570 HydrophobicContact CE1-CD1 4.19Å; Y526-N599 HydrophobicContact CD1-CB 3.92Å; Y526-N599 HydrophobicContact CE1-CB 4.1Å; Y526-Y603 HydrophobicContact CD1-CD2 4.44Å; Y526-Y603 AromaticContact CD1-CE2 3.63Å; Y526-Y603 HydrophobicContact CD1-CE2 3.63Å; Y526-Y603 AromaticContact CE1-CD2 3.76Å; Y526-Y603 HydrophobicContact CE1-CD2 3.76Å; Y526-Y603 AromaticContact CE1-CE2 3.19Å; Y526-Y603 HydrophobicContact CE1-CE2 3.19Å; Y526-Y603 AromaticContact CZ-CE2 3.78Å
527	R	98.5	Very high	98.6	Very high	114 Å²	114	33.8 Å²	33.8	43%	0.43	16%	0.163	S	C	.	.	H	α-helix	trans	-59.6	-35.8	178.6	-72.8	173.3	57.9	68.2	-0.4	113.7	L523 L525 G531 W602	L523-R527 HydrophobicContact CD1-CG 3.97Å; L523-R527 HydrophobicContact CG-CG 4.28Å; L523-R527 WeakPolarHBondContact O-CB 3.3Å; L523-R527 VanDerWaalsContact O-CG 3.23Å; L523-R527 WeakPolarHBondContact O-CG 3.49Å; L523-R527 PolarHBondContact O-N 3.3Å; L525-R527 VanDerWaalsContact C-N 3.32Å; L525-R527 PolarHBondContact O-N 3.44Å; R527-G531 PolarHBondContact O-N 3.4Å; R527-W602 VanDerWaalsContact NH1-CZ3 3.25Å
528	K	98.7	Very high	98.6	Very high	87 Å²	87	35.1 Å²	35.1	38%	0.378	17%	0.169	S	C	.	.	H	α-helix	trans	-66.7	-43.6	174.3	-78.4	-178.5	176.3	179.1	0	111	F304 R524 L525 Y526 G531 R532	F304-K528 HydrophobicContact CD1-CD 4.37Å; F304-K528 HydrophobicContact CD2-CB 4.36Å; F304-K528 HydrophobicContact CD2-CD 3.49Å; F304-K528 VanDerWaalsContact CD2-CD 3.49Å; F304-K528 HydrophobicContact CE1-CB 4.2Å; F304-K528 HydrophobicContact CE1-CD 4.48Å; F304-K528 HydrophobicContact CE2-CB 3.62Å; F304-K528 HydrophobicContact CE2-CD 3.61Å; F304-K528 HydrophobicContact CE2-CG 4.3Å; F304-K528 HydrophobicContact CG-CD 3.88Å; F304-K528 HydrophobicContact CZ-CB 3.51Å; F304-K528 HydrophobicContact CZ-CD 4.11Å; R524-K528 PolarHBondContact O-N 2.9Å; L525-K528 WeakPolarHBondContact O-CB 3.48Å; L525-K528 PolarHBondContact O-N 3.11Å; L525-K528 VanDerWaalsContact O-N 3.08Å; Y526-K528 VanDerWaalsContact C-N 3.3Å; Y526-K528 PolarHBondContact O-N 3.37Å; K528-G531 PolarHBondContact O-N 2.93Å; K528-R532 WeakPolarHBondContact O-CG 3.32Å; K528-R532 PolarHBondContact O-N 2.9Å; K528-R532 VanDerWaalsContact O-N 3.12Å
529	W	98.8	Very high	98.6	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.015	18%	0.183	C	C	.	.	H	α-helix	trans	-62.6	-47.9	176.3	-77.2	126.3	0	0	0	112.1	F304 Y356 M360 H361 D364 N518 L525 Y526 G531 R532 L533	F304-W529 HydrophobicContact CE1-CD2 4.22Å; F304-W529 HydrophobicContact CE1-CE3 4.37Å; F304-W529 HydrophobicContact CE1-CH2 4.13Å; F304-W529 HydrophobicContact CE1-CZ2 4.01Å; F304-W529 HydrophobicContact CE1-CZ3 4.33Å; F304-W529 HydrophobicContact CE2-CD2 4.49Å; F304-W529 HydrophobicContact CE2-CZ2 4.48Å; F304-W529 AromaticContact CE2-NE1 3.88Å; F304-W529 AromaticContact CZ-CD1 3.9Å; F304-W529 AromaticContact CZ-CD2 3.59Å; F304-W529 HydrophobicContact CZ-CD2 3.59Å; F304-W529 AromaticContact CZ-CE2 3.42Å; F304-W529 VanDerWaalsContact CZ-CE2 3.42Å; F304-W529 HydrophobicContact CZ-CE3 4.15Å; F304-W529 AromaticContact CZ-CG 3.88Å; F304-W529 HydrophobicContact CZ-CG 3.88Å; F304-W529 HydrophobicContact CZ-CH2 4.31Å; F304-W529 AromaticContact CZ-CZ2 3.81Å; F304-W529 HydrophobicContact CZ-CZ2 3.81Å; F304-W529 HydrophobicContact CZ-CZ3 4.49Å; F304-W529 AromaticContact CZ-NE1 3.68Å; Y356-W529 AromaticContact CD2-CE3 3.65Å; Y356-W529 HydrophobicContact CD2-CE3 3.65Å; Y356-W529 HydrophobicContact CD2-CZ3 4.17Å; Y356-W529 HydrophobicContact CE2-CB 4.37Å; Y356-W529 HydrophobicContact CE2-CD2 4.28Å; Y356-W529 AromaticContact CE2-CE3 3.56Å; Y356-W529 HydrophobicContact CE2-CE3 3.56Å; Y356-W529 HydrophobicContact CE2-CZ3 4.24Å; M360-W529 HydrophobicContact CB-CH2 4.08Å; H361-W529 VanDerWaalsContact CA-CH2 3.48Å; H361-W529 HydrophobicContact CB-CH2 3.88Å; H361-W529 HydrophobicContact CB-CZ3 3.9Å; D364-W529 HydrophobicContact CB-CZ2 3.79Å; D364-W529 PolarHBondContact OD2-NE1 2.96Å; N518-W529 HydrophobicContact CB-CB 3.77Å; N518-W529 HydrophobicContact CB-CG 3.94Å; N518-W529 VanDerWaalsContact ND2-CD1 3.27Å; N518-W529 PolarHBondContact ND2-NE1 3.42Å; L525-W529 PolarHBondContact O-N 3.34Å; Y526-W529 WeakPolarHBondContact O-CA 3.45Å; Y526-W529 WeakPolarHBondContact O-CB 3.16Å; Y526-W529 PolarHBondContact O-N 3.16Å; W529-G531 VanDerWaalsContact C-N 3.3Å; W529-G531 PolarHBondContact O-N 3.42Å; W529-R532 WeakPolarHBondContact O-CB 3.42Å; W529-R532 PolarHBondContact O-N 3.4Å; W529-R532 VanDerWaalsContact O-N 3.11Å; W529-L533 PolarHBondContact O-N 2.89Å
530	T	98.6	Very high	98.6	Very high	7 Å²	7	39.1 Å²	39.1	4%	0.043	18%	0.183	C	C	.	.	H	α-helix	trans	-55.4	-45.6	174.2	-54.6	0	0	0	0	111.4	Y526 R532 L533 I534 V562 Q566 Y603	Y526-T530 WeakPolarHBondContact CD2-OG1 3.44Å; Y526-T530 WeakPolarHBondContact CE2-OG1 3.49Å; Y526-T530 PolarHBondContact O-N 3.22Å; Y526-T530 PolarHBondContact O-OG1 2.96Å; T530-R532 VanDerWaalsContact C-N 3.29Å; T530-R532 PolarHBondContact O-N 3.17Å; T530-L533 PolarHBondContact O-N 2.8Å; T530-I534 HydrophobicContact CG2-CG1 4.09Å; T530-I534 WeakPolarHBondContact O-CB 3.31Å; T530-I534 VanDerWaalsContact O-CG1 3.25Å; T530-I534 WeakPolarHBondContact O-CG1 3.41Å; T530-I534 PolarHBondContact O-N 3.09Å; T530-V562 HydrophobicContact CG2-CG1 3.85Å; T530-Q566 VanDerWaalsContact CG2-CD 3.47Å; T530-Q566 HydrophobicContact CG2-CG 3.88Å; T530-Q566 VanDerWaalsContact CG2-OE1 3.24Å; T530-Q566 PolarHBondContact OG1-OE1 3.22Å; T530-Y603 PolarHBondContact OG1-OH 2.96Å
531	G	98.3	Very high	98.6	Very high	44 Å²	44	39.1 Å²	39.1	45%	0.454	18%	0.183	S	C	.	.	H	α-helix	trans	-60.4	-38.4	179.1	0	0	0	0	0	113.1	R527 K528 W529 E535	R527-G531 PolarHBondContact O-N 3.4Å; K528-G531 PolarHBondContact O-N 2.93Å; W529-G531 VanDerWaalsContact C-N 3.3Å; W529-G531 PolarHBondContact O-N 3.42Å; G531-E535 WeakPolarHBondContact O-CB 3.26Å; G531-E535 PolarHBondContact O-N 3.43Å; G531-E535 VanDerWaalsContact O-N 3.15Å
532	R	98.8	Very high	98.6	Very high	64 Å²	64	42.1 Å²	42.1	24%	0.242	20%	0.199	C	C	.	.	H	α-helix	trans	-69.3	-47.3	175.9	-73.6	174.1	172.1	-138.6	3.3	112.2	F304 P355 Y356 M360 K528 W529 T530 I534 E535 E536	F304-R532 VanDerWaalsContact CE1-CZ 3.48Å; P355-R532 HydrophobicContact CB-CB 4.45Å; P355-R532 WeakPolarHBondContact CB-O 3.24Å; P355-R532 WeakPolarHBondContact O-CB 3.16Å; P355-R532 WeakPolarHBondContact O-CD 3.01Å; Y356-R532 HydrophobicContact CD2-CB 4.29Å; M360-R532 PolarHBondContact SD-NH1 2.91Å; M360-R532 PolarHBondContact SD-NH2 3.04Å; K528-R532 WeakPolarHBondContact O-CG 3.32Å; K528-R532 PolarHBondContact O-N 2.9Å; K528-R532 VanDerWaalsContact O-N 3.12Å; W529-R532 WeakPolarHBondContact O-CB 3.42Å; W529-R532 PolarHBondContact O-N 3.4Å; W529-R532 VanDerWaalsContact O-N 3.11Å; T530-R532 VanDerWaalsContact C-N 3.29Å; T530-R532 PolarHBondContact O-N 3.17Å; R532-I534 PolarHBondContact O-N 3.04Å; R532-E535 PolarHBondContact O-N 3.1Å; R532-E536 PolarHBondContact O-N 2.82Å
533	L	98.5	Very high	98.6	Very high	31 Å²	31	43.4 Å²	43.4	16%	0.162	20%	0.199	C	C	.	.	H	α-helix	trans	-62.1	-44.5	-179.5	-174.3	61.6	0	0	0	111.5	Y356 W529 T530 E535 E536 F537	Y356-L533 HydrophobicContact CD1-CD1 3.95Å; Y356-L533 HydrophobicContact CD2-CB 3.63Å; Y356-L533 HydrophobicContact CD2-CD1 4.12Å; Y356-L533 HydrophobicContact CD2-CG 4.4Å; Y356-L533 HydrophobicContact CE1-CD1 4.34Å; Y356-L533 HydrophobicContact CE2-CB 4.13Å; Y356-L533 HydrophobicContact CE2-CD1 4.48Å; Y356-L533 HydrophobicContact CG-CB 4.09Å; Y356-L533 HydrophobicContact CG-CD1 3.84Å; W529-L533 PolarHBondContact O-N 2.89Å; T530-L533 PolarHBondContact O-N 2.8Å; L533-E535 PolarHBondContact O-N 2.99Å; L533-E536 WeakPolarHBondContact O-CB 3.36Å; L533-E536 PolarHBondContact O-N 3.45Å; L533-F537 HydrophobicContact CD1-CD1 4.34Å; L533-F537 HydrophobicContact CD1-CE1 3.69Å; L533-F537 HydrophobicContact CD1-CE2 4.33Å; L533-F537 HydrophobicContact CD1-CZ 3.69Å; L533-F537 HydrophobicContact CD2-CE2 4.15Å; L533-F537 HydrophobicContact CD2-CZ 4.03Å; L533-F537 HydrophobicContact CG-CD2 4.39Å; L533-F537 HydrophobicContact CG-CE1 4.14Å; L533-F537 HydrophobicContact CG-CE2 3.87Å; L533-F537 HydrophobicContact CG-CZ 3.74Å; L533-F537 WeakPolarHBondContact O-CG 3.39Å; L533-F537 PolarHBondContact O-N 3.44Å
534	I	98.2	Very high	98.6	Very high	14 Å²	14	41.3 Å²	41.3	7%	0.072	19%	0.188	C	C	.	.	H	α-helix	trans	-64.8	-40.2	177.8	-66.5	-63.4	0	0	0	111.6	T530 R532 E536 F537 F538 M554 V562	T530-I534 HydrophobicContact CG2-CG1 4.09Å; T530-I534 WeakPolarHBondContact O-CB 3.31Å; T530-I534 VanDerWaalsContact O-CG1 3.25Å; T530-I534 WeakPolarHBondContact O-CG1 3.41Å; T530-I534 PolarHBondContact O-N 3.09Å; R532-I534 PolarHBondContact O-N 3.04Å; I534-E536 VanDerWaalsContact C-N 3.27Å; I534-E536 PolarHBondContact O-N 3.39Å; I534-F537 HydrophobicContact CD1-CD2 4.26Å; I534-F537 PolarHBondContact O-N 2.99Å; I534-F538 HydrophobicContact CG2-CD1 4.21Å; I534-F538 HydrophobicContact CG2-CD2 3.92Å; I534-F538 HydrophobicContact CG2-CE1 3.75Å; I534-F538 HydrophobicContact CG2-CE2 3.45Å; I534-F538 VanDerWaalsContact CG2-CE2 3.45Å; I534-F538 HydrophobicContact CG2-CG 4.28Å; I534-F538 HydrophobicContact CG2-CZ 3.35Å; I534-F538 WeakPolarHBondContact O-CB 3.36Å; I534-F538 WeakPolarHBondContact O-CD1 3.38Å; I534-F538 WeakPolarHBondContact O-CG 3.31Å; I534-F538 PolarHBondContact O-N 3.31Å; I534-M554 HydrophobicContact CD1-CE 4.16Å; I534-V562 HydrophobicContact CD1-CG2 4.38Å; I534-V562 HydrophobicContact CG1-CG1 4.22Å; I534-V562 HydrophobicContact CG1-CG2 4.29Å; I534-V562 HydrophobicContact CG2-CG2 4.18Å
535	E	98.6	Very high	98.5	Very high	67 Å²	67	40 Å²	40	31%	0.313	18%	0.183	S	C	.	.	H	α-helix	trans	-62	-37.3	174.5	175.3	59.2	-162.1	0	0	111.7	P355 G531 R532 L533 F538 R539	P355-E535 HydrophobicContact CB-CB 4.31Å; P355-E535 HydrophobicContact CB-CG 4.18Å; P355-E535 HydrophobicContact CG-CB 4.36Å; P355-E535 HydrophobicContact CG-CG 3.82Å; G531-E535 WeakPolarHBondContact O-CB 3.26Å; G531-E535 PolarHBondContact O-N 3.43Å; G531-E535 VanDerWaalsContact O-N 3.15Å; R532-E535 PolarHBondContact O-N 3.1Å; L533-E535 PolarHBondContact O-N 2.99Å; E535-F538 PolarHBondContact O-N 2.82Å; E535-R539 VanDerWaalsContact O-CG 3.31Å; E535-R539 WeakPolarHBondContact O-CG 3.48Å; E535-R539 PolarHBondContact O-N 3.32Å; E535-R539 IonicContact OE1-CZ 2.73Å; E535-R539 IonicContact OE1-NE 3.78Å; E535-R539 PolarHBondContact OE1-NE 2.88Å; E535-R539 IonicContact OE1-NH2 3.61Å; E535-R539 PolarHBondContact OE1-NH2 2.95Å
536	E	98.8	Very high	98.5	Very high	6 Å²	6	47.7 Å²	47.7	3%	0.028	22%	0.219	C	C	.	.	H	α-helix	trans	-67.2	-46.8	175.3	-167.2	168.9	136.4	0	0	112.5	V354 P355 Y356 H357 H401 G403 R532 L533 I534 F538 R539 Q540	V354-E536 HydrophobicContact CG1-CG 4.48Å; V354-E536 WeakPolarHBondContact CG1-OE2 3.5Å; P355-E536 HydrophobicContact CB-CB 4.23Å; P355-E536 HydrophobicContact CG-CB 4.12Å; Y356-E536 WeakPolarHBondContact CA-OE2 3.47Å; Y356-E536 VanDerWaalsContact CB-OE2 3.31Å; Y356-E536 WeakPolarHBondContact CB-OE2 3.44Å; Y356-E536 PolarHBondContact N-OE2 3.37Å; H357-E536 IonicContact CE1-OE1 2.88Å; H357-E536 IonicContact CG-OE1 3.49Å; H357-E536 PolarHBondContact N-OE2 3.41Å; H357-E536 VanDerWaalsContact N-OE2 3.16Å; H357-E536 IonicContact ND1-OE1 3.65Å; H357-E536 PolarHBondContact ND1-OE1 3.07Å; H357-E536 IonicContact ND1-OE2 2.99Å; H401-E536 IonicContact CE1-OE1 3.46Å; H401-E536 IonicContact ND1-OE1 3.82Å; G403-E536 VanDerWaalsContact CA-OE1 3.23Å; G403-E536 WeakPolarHBondContact CA-OE1 3.3Å; R532-E536 PolarHBondContact O-N 2.82Å; L533-E536 WeakPolarHBondContact O-CB 3.36Å; L533-E536 PolarHBondContact O-N 3.45Å; I534-E536 VanDerWaalsContact C-N 3.27Å; I534-E536 PolarHBondContact O-N 3.39Å; E536-F538 VanDerWaalsContact C-N 3.27Å; E536-F538 PolarHBondContact O-N 3.4Å; E536-R539 WeakPolarHBondContact O-CB 3.5Å; E536-R539 PolarHBondContact O-N 3.44Å; E536-R539 VanDerWaalsContact O-N 3.11Å; E536-Q540 PolarHBondContact O-N 3.42Å
537	F	98.3	Very high	98.5	Very high	19 Å²	19	52.1 Å²	52.1	8%	0.083	24%	0.242	C	C	.	.	H	α-helix	trans	-56.9	-42.4	173.6	-69.8	-12.8	0	0	0	111.9	Y150 L533 I534 R539 Q540 G541 M554 C555	Y150-F537 HydrophobicContact CE2-CE2 4.32Å; Y150-F537 HydrophobicContact CE2-CZ 4.19Å; L533-F537 HydrophobicContact CD1-CD1 4.34Å; L533-F537 HydrophobicContact CD1-CE1 3.69Å; L533-F537 HydrophobicContact CD1-CE2 4.33Å; L533-F537 HydrophobicContact CD1-CZ 3.69Å; L533-F537 HydrophobicContact CD2-CE2 4.15Å; L533-F537 HydrophobicContact CD2-CZ 4.03Å; L533-F537 HydrophobicContact CG-CD2 4.39Å; L533-F537 HydrophobicContact CG-CE1 4.14Å; L533-F537 HydrophobicContact CG-CE2 3.87Å; L533-F537 HydrophobicContact CG-CZ 3.74Å; L533-F537 WeakPolarHBondContact O-CG 3.39Å; L533-F537 PolarHBondContact O-N 3.44Å; I534-F537 HydrophobicContact CD1-CD2 4.26Å; I534-F537 PolarHBondContact O-N 2.99Å; F537-R539 VanDerWaalsContact C-N 3.33Å; F537-R539 PolarHBondContact O-N 3.49Å; F537-Q540 WeakPolarHBondContact O-CB 3.46Å; F537-Q540 PolarHBondContact O-N 3.27Å; F537-G541 PolarHBondContact O-N 3.36Å; F537-M554 HydrophobicContact CD2-CB 4.05Å; F537-M554 HydrophobicContact CE2-CB 4.33Å; F537-C555 WeakPolarHBondContact O-CA 3.32Å; F537-C555 VanDerWaalsContact O-CB 3.3Å; F537-C555 WeakPolarHBondContact O-CB 3.18Å
538	F	98.6	Very high	98.4	Very high	28 Å²	28	52 Å²	52	12%	0.123	26%	0.259	C	S	.	.	H	α-helix	trans	-66.1	-36.1	178	-68.6	-7.3	0	0	0	112.5	I534 E535 E536 G541 D542 R557 V560	I534-F538 HydrophobicContact CG2-CD1 4.21Å; I534-F538 HydrophobicContact CG2-CD2 3.92Å; I534-F538 HydrophobicContact CG2-CE1 3.75Å; I534-F538 HydrophobicContact CG2-CE2 3.45Å; I534-F538 VanDerWaalsContact CG2-CE2 3.45Å; I534-F538 HydrophobicContact CG2-CG 4.28Å; I534-F538 HydrophobicContact CG2-CZ 3.35Å; I534-F538 WeakPolarHBondContact O-CB 3.36Å; I534-F538 WeakPolarHBondContact O-CD1 3.38Å; I534-F538 WeakPolarHBondContact O-CG 3.31Å; I534-F538 PolarHBondContact O-N 3.31Å; E535-F538 PolarHBondContact O-N 2.82Å; E536-F538 VanDerWaalsContact C-N 3.27Å; E536-F538 PolarHBondContact O-N 3.4Å; F538-G541 PolarHBondContact O-N 3.25Å; F538-D542 PolarHBondContact O-N 2.96Å; F538-R557 HydrophobicContact CB-CB 4.08Å; F538-R557 HydrophobicContact CD1-CB 3.82Å; F538-R557 HydrophobicContact CD2-CB 3.44Å; F538-R557 VanDerWaalsContact CD2-CB 3.44Å; F538-R557 HydrophobicContact CE1-CB 4.03Å; F538-R557 HydrophobicContact CE2-CB 3.65Å; F538-R557 HydrophobicContact CG-CB 3.52Å; F538-R557 HydrophobicContact CZ-CB 3.95Å; F538-V560 HydrophobicContact CE1-CB 3.96Å; F538-V560 HydrophobicContact CE1-CG1 4.32Å; F538-V560 HydrophobicContact CE1-CG2 4.08Å; F538-V560 HydrophobicContact CZ-CB 4.19Å; F538-V560 HydrophobicContact CZ-CG1 4.47Å
539	R	98.7	Very high	98.3	Very high	96 Å²	96	50.8 Å²	50.8	36%	0.362	26%	0.256	S	S	.	.	H	α-helix	trans	-66.8	-36	173.3	-72.3	175.4	-173.8	-167.7	7.4	112.4	D353 E535 E536 F537 K543	D353-R539 PolarHBondContact O-NH1 3.34Å; E535-R539 VanDerWaalsContact O-CG 3.31Å; E535-R539 WeakPolarHBondContact O-CG 3.48Å; E535-R539 PolarHBondContact O-N 3.32Å; E535-R539 IonicContact OE1-CZ 2.73Å; E535-R539 IonicContact OE1-NE 3.78Å; E535-R539 PolarHBondContact OE1-NE 2.88Å; E535-R539 IonicContact OE1-NH2 3.61Å; E535-R539 PolarHBondContact OE1-NH2 2.95Å; E536-R539 WeakPolarHBondContact O-CB 3.5Å; E536-R539 PolarHBondContact O-N 3.44Å; E536-R539 VanDerWaalsContact O-N 3.11Å; F537-R539 VanDerWaalsContact C-N 3.33Å; F537-R539 PolarHBondContact O-N 3.49Å; R539-K543 WeakPolarHBondContact O-CG 3.25Å; R539-K543 PolarHBondContact O-N 2.84Å
540	Q	98.7	Very high	98.1	Very high	3 Å²	3	59.2 Å²	59.2	1%	0.014	30%	0.296	C	S	.	.	H	α-helix	trans	-63	-47.8	170.1	178.4	176.1	-49.3	0	0	110.8	V404 T405 F408 E536 F537 D542 K543 E544	V404-Q540 HydrophobicContact CB-CG 4.41Å; V404-Q540 HydrophobicContact CG1-CB 4.14Å; V404-Q540 HydrophobicContact CG1-CG 4.06Å; T405-Q540 PolarHBondContact OG1-NE2 2.84Å; F408-Q540 HydrophobicContact CB-CG 4.41Å; F408-Q540 HydrophobicContact CD2-CG 3.8Å; F408-Q540 HydrophobicContact CE2-CG 4.39Å; F408-Q540 HydrophobicContact CG-CG 4.22Å; E536-Q540 PolarHBondContact O-N 3.42Å; F537-Q540 WeakPolarHBondContact O-CB 3.46Å; F537-Q540 PolarHBondContact O-N 3.27Å; Q540-D542 PolarHBondContact O-N 3.5Å; Q540-K543 CarbonylContact O-C 3.29Å; Q540-K543 WeakPolarHBondContact O-CA 3.13Å; Q540-K543 WeakPolarHBondContact O-CB 3.37Å; Q540-K543 PolarHBondContact O-N 2.98Å; Q540-E544 HydrophobicContact CG-CG 4.29Å; Q540-E544 WeakPolarHBondContact CG-OE1 3.39Å; Q540-E544 PolarHBondContact NE2-OE1 3.45Å; Q540-E544 WeakPolarHBondContact O-CG 3.37Å; Q540-E544 PolarHBondContact O-N 2.7Å
541	G	98.4	Very high	98	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-60.3	-33.7	178.7	0	0	0	0	0	113.5	F537 F538 E544 R545	F537-G541 PolarHBondContact O-N 3.36Å; F538-G541 PolarHBondContact O-N 3.25Å; G541-E544 PolarHBondContact O-N 2.98Å; G541-R545 WeakPolarHBondContact O-CB 3.5Å; G541-R545 PolarHBondContact O-N 3.07Å
542	D	98.5	Very high	97.9	Very high	62 Å²	62	59.3 Å²	59.3	33%	0.332	29%	0.286	S	S	.	.	H	α-helix	trans	-65.5	-42.5	172.4	-63.1	-23.5	0	0	0	111.6	F538 Q540 R545 E546 R557	F538-D542 PolarHBondContact O-N 2.96Å; Q540-D542 PolarHBondContact O-N 3.5Å; D542-R545 PolarHBondContact O-N 2.81Å; D542-E546 PolarHBondContact O-N 2.92Å; D542-R557 IonicContact OD1-CZ 3.2Å; D542-R557 IonicContact OD1-NE 3.17Å; D542-R557 PolarHBondContact OD1-NE 3.36Å; D542-R557 IonicContact OD1-NH2 3.76Å; D542-R557 IonicContact OD2-CZ 3.6Å; D542-R557 IonicContact OD2-NE 2.85Å; D542-R557 PolarHBondContact OD2-NE 3.05Å; D542-R557 IonicContact OD2-NH2 3.73Å; D542-R557 PolarHBondContact OD2-NH2 3.21Å
543	K	98.5	Very high	97.6	Very high	81 Å²	81	57.3 Å²	57.3	35%	0.352	28%	0.281	S	S	.	.	H	α-helix	trans	-64	-42.8	174.7	-67.1	169.4	-177.3	174.6	0	111.4	V404 F408 R539 Q540 R545 E546 L547	V404-K543 HydrophobicContact CG1-CD 4Å; F408-K543 HydrophobicContact CE2-CB 4.09Å; F408-K543 HydrophobicContact CZ-CB 4.05Å; F408-K543 HydrophobicContact CZ-CD 4.4Å; R539-K543 WeakPolarHBondContact O-CG 3.25Å; R539-K543 PolarHBondContact O-N 2.84Å; Q540-K543 CarbonylContact O-C 3.29Å; Q540-K543 WeakPolarHBondContact O-CA 3.13Å; Q540-K543 WeakPolarHBondContact O-CB 3.37Å; Q540-K543 PolarHBondContact O-N 2.98Å; K543-R545 VanDerWaalsContact C-N 3.32Å; K543-R545 PolarHBondContact O-N 2.99Å; K543-E546 PolarHBondContact O-N 3.37Å; K543-L547 WeakPolarHBondContact O-CB 3.47Å; K543-L547 WeakPolarHBondContact O-CG 3.35Å; K543-L547 PolarHBondContact O-N 3.25Å
544	E	98.5	Very high	97.3	Very high	2 Å²	2	56 Å²	56	1%	0.009	28%	0.275	C	S	.	.	H	α-helix	trans	-60.1	-44.2	176.1	-71.3	166.8	170.2	0	0	111	F408 Q540 G541 L547 S548 L549 I551 S552	F408-E544 HydrophobicContact CD2-CG 3.6Å; F408-E544 HydrophobicContact CE2-CG 3.67Å; Q540-E544 HydrophobicContact CG-CG 4.29Å; Q540-E544 WeakPolarHBondContact CG-OE1 3.39Å; Q540-E544 PolarHBondContact NE2-OE1 3.45Å; Q540-E544 WeakPolarHBondContact O-CG 3.37Å; Q540-E544 PolarHBondContact O-N 2.7Å; G541-E544 PolarHBondContact O-N 2.98Å; E544-L547 CarbonylContact O-C 3.56Å; E544-L547 PolarHBondContact O-N 3.14Å; E544-S548 PolarHBondContact O-N 3.07Å; E544-L549 HydrophobicContact CB-CB 4.31Å; E544-L549 PolarHBondContact O-N 3.44Å; E544-I551 HydrophobicContact CB-CG1 4.31Å; E544-I551 VanDerWaalsContact OE2-CA 3.31Å; E544-I551 WeakPolarHBondContact OE2-CA 3.37Å; E544-S552 WeakPolarHBondContact OE1-CB 3.49Å; E544-S552 PolarHBondContact OE1-OG 2.79Å; E544-S552 VanDerWaalsContact OE1-OG 3.12Å; E544-S552 PolarHBondContact OE2-N 2.92Å
545	R	97.6	Very high	97.3	Very high	104 Å²	104	55.6 Å²	55.6	39%	0.392	27%	0.273	S	S	.	.	H	α-helix	trans	-62.2	-43.3	175.5	-168.1	-176	-56.2	-86.5	5.2	112.1	G541 D542 K543 L547 S548 I551 D556	G541-R545 WeakPolarHBondContact O-CB 3.5Å; G541-R545 PolarHBondContact O-N 3.07Å; D542-R545 PolarHBondContact O-N 2.81Å; K543-R545 VanDerWaalsContact C-N 3.32Å; K543-R545 PolarHBondContact O-N 2.99Å; R545-L547 VanDerWaalsContact C-N 3.34Å; R545-S548 PolarHBondContact O-N 2.83Å; R545-I551 HydrophobicContact CB-CD1 4.11Å; R545-I551 HydrophobicContact CG-CD1 4.42Å; R545-D556 IonicContact NH2-OD1 3.9Å; R545-D556 PolarHBondContact NH2-OD1 3.44Å; R545-D556 IonicContact NH2-OD2 3.7Å
546	E	98.1	Very high	97.1	Very high	164 Å²	164	53.9 Å²	53.9	77%	0.766	27%	0.266	S	S	*	.	H	α-helix	trans	-61.2	-42.5	175.8	-176.9	178.6	-176	0	0	111.7	D542 K543 S548	D542-E546 PolarHBondContact O-N 2.92Å; K543-E546 PolarHBondContact O-N 3.37Å; E546-S548 PolarHBondContact O-N 3.33Å
547	L	97.9	Very high	97	Very high	96 Å²	96	58.5 Å²	58.5	50%	0.503	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	0.2	177.8	-65.9	172.3	0	0	0	113.6	F408 T412 K543 E544 R545 L549	F408-L547 HydrophobicContact CE2-CD1 4.32Å; F408-L547 HydrophobicContact CZ-CD1 3.98Å; T412-L547 HydrophobicContact CG2-CD1 3.82Å; K543-L547 WeakPolarHBondContact O-CB 3.47Å; K543-L547 WeakPolarHBondContact O-CG 3.35Å; K543-L547 PolarHBondContact O-N 3.25Å; E544-L547 CarbonylContact O-C 3.56Å; E544-L547 PolarHBondContact O-N 3.14Å; R545-L547 VanDerWaalsContact C-N 3.34Å; L547-L549 HydrophobicContact CB-CD1 4.2Å; L547-L549 HydrophobicContact CB-CG 4.02Å; L547-L549 HydrophobicContact CD1-CD1 4.4Å; L547-L549 PolarHBondContact O-N 2.99Å
548	S	97.1	Very high	96.6	Very high	111 Å²	111	65.1 Å²	65.1	78%	0.776	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	34.8	-176.2	-54.4	0	0	0	0	113.5	E544 R545 E546	E544-S548 PolarHBondContact O-N 3.07Å; R545-S548 PolarHBondContact O-N 2.83Å; E546-S548 PolarHBondContact O-N 3.33Å
549	L	96.2	Very high	96.3	Very high	62 Å²	62	65.4 Å²	65.4	33%	0.325	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-86.4	161.5	170.7	-62.5	178.3	0	0	0	110.5	T412 E544 L547 I551	T412-L549 HydrophobicContact CG2-CD1 3.78Å; E544-L549 HydrophobicContact CB-CB 4.31Å; E544-L549 PolarHBondContact O-N 3.44Å; L547-L549 HydrophobicContact CB-CD1 4.2Å; L547-L549 HydrophobicContact CB-CG 4.02Å; L547-L549 HydrophobicContact CD1-CD1 4.4Å; L547-L549 PolarHBondContact O-N 2.99Å; L549-I551 PolarHBondContact O-N 3.32Å
550	E	95.2	Very high	96	Very high	181 Å²	181	61.9 Å²	61.9	85%	0.846	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-63.3	129.1	164.2	-177	168.8	-166.7	0	0	108.7	S552	E550-S552 PolarHBondContact O-N 3.18Å
551	I	96.7	Very high	95.7	Very high	39 Å²	39	65.5 Å²	65.5	20%	0.2	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-74.8	125.7	-177.9	-61	174	0	0	0	108.3	E544 R545 L549 C555 D556	E544-I551 HydrophobicContact CB-CG1 4.31Å; E544-I551 VanDerWaalsContact OE2-CA 3.31Å; E544-I551 WeakPolarHBondContact OE2-CA 3.37Å; R545-I551 HydrophobicContact CB-CD1 4.11Å; R545-I551 HydrophobicContact CG-CD1 4.42Å; L549-I551 PolarHBondContact O-N 3.32Å; I551-C555 HydrophobicContact CG2-CB 3.96Å; I551-D556 HydrophobicContact CG2-CB 3.85Å
552	S	95.6	Very high	95.5	Very high	14 Å²	14	67.1 Å²	67.1	10%	0.098	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-57	149.2	-178.5	-83	0	0	0	0	111.5	E544 E550 M554 C555	E544-S552 WeakPolarHBondContact OE1-CB 3.49Å; E544-S552 PolarHBondContact OE1-OG 2.79Å; E544-S552 VanDerWaalsContact OE1-OG 3.12Å; E544-S552 PolarHBondContact OE2-N 2.92Å; E550-S552 PolarHBondContact O-N 3.18Å; S552-M554 PolarHBondContact O-N 2.77Å; S552-C555 WeakPolarHBondContact O-CB 3.25Å; S552-C555 PolarHBondContact O-N 2.78Å
553	P	93.1	Very high	95.4	Very high	22 Å²	22	67.1 Å²	67.1	14%	0.143	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.8	142.2	167.7	-27.6	36.7	0	0	0	110.9	Q146 A149 E153 C555	Q146-P553 HydrophobicContact CG-CB 4.19Å; Q146-P553 WeakPolarHBondContact O-CB 3.41Å; A149-P553 HydrophobicContact CB-CB 4.26Å; A149-P553 HydrophobicContact CB-CG 3.73Å; E153-P553 WeakPolarHBondContact OE2-CD 3.23Å; E153-P553 WeakPolarHBondContact OE2-CG 3.38Å; P553-C555 PolarHBondContact O-N 3.34Å; P553-C555 VanDerWaalsContact O-N 3.09Å
554	M	93	Very high	95.2	Very high	5 Å²	5	64.6 Å²	64.6	3%	0.025	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	-4.3	-177.1	-59.1	-60.5	-59.4	0	0	116.9	I147 Y150 I534 F537 S552 V560 S565	I147-M554 HydrophobicContact CG1-SD 4.34Å; Y150-M554 HydrophobicContact CD1-CG 3.91Å; Y150-M554 HydrophobicContact CD2-CB 4.13Å; Y150-M554 HydrophobicContact CD2-CG 3.78Å; Y150-M554 HydrophobicContact CE2-CG 4.45Å; Y150-M554 HydrophobicContact CG-CB 4.33Å; Y150-M554 HydrophobicContact CG-CG 3.48Å; Y150-M554 VanDerWaalsContact CG-CG 3.48Å; I534-M554 HydrophobicContact CD1-CE 4.16Å; F537-M554 HydrophobicContact CD2-CB 4.05Å; F537-M554 HydrophobicContact CE2-CB 4.33Å; S552-M554 PolarHBondContact O-N 2.77Å; M554-V560 HydrophobicContact CE-CG1 3.62Å; M554-V560 WeakPolarHBondContact O-CG2 3.42Å; M554-V560 HydrophobicContact SD-CG1 4.27Å; M554-S565 VanDerWaalsContact CE-OG 3.25Å; M554-S565 WeakPolarHBondContact CE-OG 3.39Å; M554-S565 PolarHBondContact SD-OG 3.31Å; M554-S565 VanDerWaalsContact SD-OG 3.36Å
555	C	96.8	Very high	95	Very high	5 Å²	5	64.8 Å²	64.8	3%	0.034	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-12.8	-177.5	-62.7	0	0	0	0	114.3	F537 I551 S552 P553 R557	F537-C555 WeakPolarHBondContact O-CA 3.32Å; F537-C555 VanDerWaalsContact O-CB 3.3Å; F537-C555 WeakPolarHBondContact O-CB 3.18Å; I551-C555 HydrophobicContact CG2-CB 3.96Å; S552-C555 WeakPolarHBondContact O-CB 3.25Å; S552-C555 PolarHBondContact O-N 2.78Å; P553-C555 PolarHBondContact O-N 3.34Å; P553-C555 VanDerWaalsContact O-N 3.09Å; C555-R557 PolarHBondContact O-N 3.48Å
556	D	95.9	Very high	95	Very high	31 Å²	31	60.5 Å²	60.5	17%	0.166	31%	0.309	C	S	.	.			trans	-84.3	103.4	178.3	-170.7	3.9	0	0	0	112.5	R545 I551 E558 S559 V560	R545-D556 IonicContact NH2-OD1 3.9Å; R545-D556 PolarHBondContact NH2-OD1 3.44Å; R545-D556 IonicContact NH2-OD2 3.7Å; I551-D556 HydrophobicContact CG2-CB 3.85Å; D556-E558 PolarHBondContact O-N 2.97Å; D556-E558 WeakPolarHBondContact OD1-CB 3.16Å; D556-E558 PolarHBondContact OD1-N 3.46Å; D556-S559 PolarHBondContact O-N 2.9Å; D556-V560 VanDerWaalsContact O-CG2 3.27Å; D556-V560 WeakPolarHBondContact O-CG2 3.43Å; D556-V560 PolarHBondContact O-N 2.93Å; D556-V560 VanDerWaalsContact O-N 3.17Å
557	R	95.6	Very high	94.9	Very high	103 Å²	103	53 Å²	53	39%	0.389	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-16.4	176.4	65.6	174.7	68.6	-122.2	2.9	114.8	F538 D542 C555	F538-R557 HydrophobicContact CB-CB 4.08Å; F538-R557 HydrophobicContact CD1-CB 3.82Å; F538-R557 HydrophobicContact CD2-CB 3.44Å; F538-R557 VanDerWaalsContact CD2-CB 3.44Å; F538-R557 HydrophobicContact CE1-CB 4.03Å; F538-R557 HydrophobicContact CE2-CB 3.65Å; F538-R557 HydrophobicContact CG-CB 3.52Å; F538-R557 HydrophobicContact CZ-CB 3.95Å; D542-R557 IonicContact OD1-CZ 3.2Å; D542-R557 IonicContact OD1-NE 3.17Å; D542-R557 PolarHBondContact OD1-NE 3.36Å; D542-R557 IonicContact OD1-NH2 3.76Å; D542-R557 IonicContact OD2-CZ 3.6Å; D542-R557 IonicContact OD2-NE 2.85Å; D542-R557 PolarHBondContact OD2-NE 3.05Å; D542-R557 IonicContact OD2-NH2 3.73Å; D542-R557 PolarHBondContact OD2-NH2 3.21Å; C555-R557 PolarHBondContact O-N 3.48Å
558	E	91.2	Very high	94.7	Very high	157 Å²	157	48.8 Å²	48.8	73%	0.734	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-16.2	178	-58.5	-176.1	179.8	0	0	113.5	D556	D556-E558 PolarHBondContact O-N 2.97Å; D556-E558 WeakPolarHBondContact OD1-CB 3.16Å; D556-E558 PolarHBondContact OD1-N 3.46Å
559	S	91.3	Very high	94.7	Very high	35 Å²	35	44.7 Å²	44.7	25%	0.245	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-23.2	-172.1	88.3	0	0	0	0	115	Q146 D556 E561	Q146-S559 PolarHBondContact NE2-OG 3.47Å; Q146-S559 PolarHBondContact OE1-OG 2.97Å; Q146-S559 VanDerWaalsContact OE1-OG 3.1Å; D556-S559 PolarHBondContact O-N 2.9Å; S559-E561 PolarHBondContact O-N 3.16Å
560	V	91.5	Very high	94.8	Very high	21 Å²	21	41.8 Å²	41.8	13%	0.127	21%	0.205	C	C	.	.			trans	-73.4	124.7	-167.7	170.3	0	0	0	0	112.1	F538 M554 D556 V562	F538-V560 HydrophobicContact CE1-CB 3.96Å; F538-V560 HydrophobicContact CE1-CG1 4.32Å; F538-V560 HydrophobicContact CE1-CG2 4.08Å; F538-V560 HydrophobicContact CZ-CB 4.19Å; F538-V560 HydrophobicContact CZ-CG1 4.47Å; M554-V560 HydrophobicContact CE-CG1 3.62Å; M554-V560 WeakPolarHBondContact O-CG2 3.42Å; M554-V560 HydrophobicContact SD-CG1 4.27Å; D556-V560 VanDerWaalsContact O-CG2 3.27Å; D556-V560 WeakPolarHBondContact O-CG2 3.43Å; D556-V560 PolarHBondContact O-N 2.93Å; D556-V560 VanDerWaalsContact O-N 3.17Å; V560-V562 HydrophobicContact CG1-CG2 4.18Å
561	E	93.1	Very high	94.7	Very high	79 Å²	79	36 Å²	36	37%	0.369	18%	0.18	S	C	.	.			trans	-93.3	93.7	169	-67.8	-173.4	84.6	0	0	109.3	S143 S559 E563 K564 S565	S143-E561 WeakPolarHBondContact CB-OE2 3.33Å; S143-E561 PolarHBondContact OG-OE2 2.79Å; S559-E561 PolarHBondContact O-N 3.16Å; E561-E563 PolarHBondContact O-N 3.05Å; E561-K564 HydrophobicContact CB-CB 4.11Å; E561-K564 HydrophobicContact CB-CD 4.04Å; E561-K564 HydrophobicContact CB-CG 4.27Å; E561-K564 HydrophobicContact CG-CD 4.44Å; E561-K564 PolarHBondContact O-N 3.4Å; E561-K564 WeakPolarHBondContact OE1-CE 3.26Å; E561-K564 IonicContact OE1-NZ 3.71Å; E561-K564 PolarHBondContact OE1-NZ 3.28Å; E561-K564 WeakPolarHBondContact OE2-CD 3.45Å; E561-K564 WeakPolarHBondContact OE2-CE 3.41Å; E561-K564 IonicContact OE2-NZ 3.32Å; E561-K564 PolarHBondContact OE2-NZ 3Å; E561-S565 WeakPolarHBondContact O-CB 3.47Å; E561-S565 PolarHBondContact O-N 2.98Å; E561-S565 PolarHBondContact O-OG 3.5Å
562	V	94.7	Very high	94.5	Very high	35 Å²	35	35.5 Å²	35.5	21%	0.212	18%	0.177	C	C	.	.	H	α-helix	trans	-55.7	-51.9	-172.1	177.2	0	0	0	0	111.8	T530 I534 V560 K564 S565 Q566	T530-V562 HydrophobicContact CG2-CG1 3.85Å; I534-V562 HydrophobicContact CD1-CG2 4.38Å; I534-V562 HydrophobicContact CG1-CG1 4.22Å; I534-V562 HydrophobicContact CG1-CG2 4.29Å; I534-V562 HydrophobicContact CG2-CG2 4.18Å; V560-V562 HydrophobicContact CG1-CG2 4.18Å; V562-K564 PolarHBondContact O-N 2.88Å; V562-S565 WeakPolarHBondContact O-CB 3.42Å; V562-S565 PolarHBondContact O-N 3.17Å; V562-S565 VanDerWaalsContact O-N 3.13Å; V562-Q566 HydrophobicContact CG1-CG 4.38Å; V562-Q566 WeakPolarHBondContact O-CG 3.27Å; V562-Q566 PolarHBondContact O-N 2.97Å
563	E	95.3	Very high	94.4	Very high	63 Å²	63	34.9 Å²	34.9	29%	0.294	17%	0.172	S	C	.	.	H	α-helix	trans	-62.7	-43.1	-175.6	-68.2	70	-162.9	0	0	112.4	E561 S565 Q566 V567 Y603 H606 I607	E561-E563 PolarHBondContact O-N 3.05Å; E563-S565 VanDerWaalsContact C-N 3.28Å; E563-S565 PolarHBondContact O-N 3.47Å; E563-Q566 PolarHBondContact O-N 2.87Å; E563-V567 PolarHBondContact O-N 3.36Å; E563-V567 VanDerWaalsContact O-N 3.11Å; E563-Y603 HydrophobicContact CB-CD1 4.08Å; E563-Y603 HydrophobicContact CG-CD1 3.93Å; E563-Y603 HydrophobicContact CG-CE1 4.47Å; E563-H606 HydrophobicContact CG-CB 4.08Å; E563-I607 HydrophobicContact CB-CD1 4.39Å; E563-I607 HydrophobicContact CB-CG1 3.58Å
564	K	94.1	Very high	94.6	Very high	27 Å²	27	33.8 Å²	33.8	12%	0.117	17%	0.165	C	C	.	.	H	α-helix	trans	-59.8	-42.6	175.2	-75.4	-174.9	-176.1	175.6	0	111.4	D141 S143 I147 E561 V562 Q566 V567 S568 I607	D141-K564 IonicContact OD2-NZ 3.17Å; S143-K564 WeakPolarHBondContact OG-CD 3.31Å; I147-K564 HydrophobicContact CD1-CB 4.07Å; E561-K564 HydrophobicContact CB-CB 4.11Å; E561-K564 HydrophobicContact CB-CD 4.04Å; E561-K564 HydrophobicContact CB-CG 4.27Å; E561-K564 HydrophobicContact CG-CD 4.44Å; E561-K564 PolarHBondContact O-N 3.4Å; E561-K564 WeakPolarHBondContact OE1-CE 3.26Å; E561-K564 IonicContact OE1-NZ 3.71Å; E561-K564 PolarHBondContact OE1-NZ 3.28Å; E561-K564 WeakPolarHBondContact OE2-CD 3.45Å; E561-K564 WeakPolarHBondContact OE2-CE 3.41Å; E561-K564 IonicContact OE2-NZ 3.32Å; E561-K564 PolarHBondContact OE2-NZ 3Å; V562-K564 PolarHBondContact O-N 2.88Å; K564-Q566 VanDerWaalsContact C-N 3.34Å; K564-V567 PolarHBondContact O-N 3.33Å; K564-S568 PolarHBondContact O-N 3.49Å; K564-S568 PolarHBondContact O-OG 2.84Å; K564-I607 HydrophobicContact CB-CD1 4.27Å; K564-I607 HydrophobicContact CG-CD1 3.81Å; K564-I607 HydrophobicContact CG-CG1 4.06Å; K564-I607 HydrophobicContact CG-CG2 4.06Å
565	S	95.1	Very high	94.8	Very high	6 Å²	6	35 Å²	35	4%	0.042	17%	0.171	C	C	.	.	H	α-helix	trans	-66	-38.9	-178.4	-51.5	0	0	0	0	111.5	M554 E561 V562 E563 S568 F569	M554-S565 VanDerWaalsContact CE-OG 3.25Å; M554-S565 WeakPolarHBondContact CE-OG 3.39Å; M554-S565 PolarHBondContact SD-OG 3.31Å; M554-S565 VanDerWaalsContact SD-OG 3.36Å; E561-S565 WeakPolarHBondContact O-CB 3.47Å; E561-S565 PolarHBondContact O-N 2.98Å; E561-S565 PolarHBondContact O-OG 3.5Å; V562-S565 WeakPolarHBondContact O-CB 3.42Å; V562-S565 PolarHBondContact O-N 3.17Å; V562-S565 VanDerWaalsContact O-N 3.13Å; E563-S565 VanDerWaalsContact C-N 3.28Å; E563-S565 PolarHBondContact O-N 3.47Å; S565-S568 PolarHBondContact O-N 3.43Å; S565-F569 WeakPolarHBondContact O-CB 3.17Å; S565-F569 PolarHBondContact O-N 2.9Å
566	Q	97.5	Very high	94.7	Very high	15 Å²	15	35.6 Å²	35.6	7%	0.07	18%	0.175	C	C	.	.	H	α-helix	trans	-64.9	-43.1	174.1	-63.8	-55.5	-95.2	0	0	112.3	Y526 T530 V562 E563 K564 S568 F569 I570 Y603	Y526-Q566 VanDerWaalsContact CE2-OE1 3.26Å; Y526-Q566 PolarHBondContact OH-OE1 2.93Å; T530-Q566 VanDerWaalsContact CG2-CD 3.47Å; T530-Q566 HydrophobicContact CG2-CG 3.88Å; T530-Q566 VanDerWaalsContact CG2-OE1 3.24Å; T530-Q566 PolarHBondContact OG1-OE1 3.22Å; V562-Q566 HydrophobicContact CG1-CG 4.38Å; V562-Q566 WeakPolarHBondContact O-CG 3.27Å; V562-Q566 PolarHBondContact O-N 2.97Å; E563-Q566 PolarHBondContact O-N 2.87Å; K564-Q566 VanDerWaalsContact C-N 3.34Å; Q566-S568 PolarHBondContact O-N 3.26Å; Q566-F569 PolarHBondContact O-N 3.45Å; Q566-I570 VanDerWaalsContact O-CG1 3.3Å; Q566-I570 WeakPolarHBondContact O-CG1 3.47Å; Q566-I570 PolarHBondContact O-N 2.92Å; Q566-Y603 HydrophobicContact CB-CD1 3.87Å; Q566-Y603 HydrophobicContact CB-CD2 4.2Å; Q566-Y603 HydrophobicContact CB-CE1 4.05Å; Q566-Y603 HydrophobicContact CB-CE2 4.43Å; Q566-Y603 HydrophobicContact CB-CG 3.94Å; Q566-Y603 HydrophobicContact CG-CD1 4.07Å; Q566-Y603 HydrophobicContact CG-CE1 3.74Å
567	V	96.6	Very high	94.8	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.03	17%	0.167	C	C	.	.	H	α-helix	trans	-59.8	-49.1	176.1	173.6	0	0	0	0	110.8	E563 K564 I570 D571 E604 I607	E563-V567 PolarHBondContact O-N 3.36Å; E563-V567 VanDerWaalsContact O-N 3.11Å; K564-V567 PolarHBondContact O-N 3.33Å; V567-I570 PolarHBondContact O-N 3.36Å; V567-D571 WeakPolarHBondContact O-CB 3.48Å; V567-D571 VanDerWaalsContact O-CG 3.28Å; V567-D571 PolarHBondContact O-N 3.47Å; V567-E604 HydrophobicContact CG2-CB 4Å; V567-I607 HydrophobicContact CB-CD1 4.39Å; V567-I607 HydrophobicContact CG2-CD1 3.76Å
568	S	94.1	Very high	94.9	Very high	9 Å²	9	29.2 Å²	29.2	6%	0.063	15%	0.148	C	C	.	.	H	α-helix	trans	-68.1	-36.7	-179.2	-60	0	0	0	0	113	F137 K564 S565 Q566 I570 D571 F572	F137-S568 WeakPolarHBondContact CZ-OG 3.25Å; K564-S568 PolarHBondContact O-N 3.49Å; K564-S568 PolarHBondContact O-OG 2.84Å; S565-S568 PolarHBondContact O-N 3.43Å; Q566-S568 PolarHBondContact O-N 3.26Å; S568-I570 VanDerWaalsContact C-N 3.3Å; S568-I570 PolarHBondContact O-N 3.34Å; S568-D571 PolarHBondContact O-N 2.89Å; S568-F572 WeakPolarHBondContact O-CB 3.15Å; S568-F572 WeakPolarHBondContact O-CD2 3.48Å; S568-F572 PolarHBondContact O-N 2.97Å
569	F	95.8	Very high	95.1	Very high	25 Å²	25	25 Å²	25	11%	0.11	13%	0.128	C	C	.	.	H	α-helix	trans	-61.1	-41.5	173.7	-179.8	-119.4	0	0	0	111.5	Y150 F155 L516 P519 S565 Q566 V573 C574	Y150-F569 HydrophobicContact CE1-CD2 4.41Å; F155-F569 HydrophobicContact CE1-CE2 4.23Å; F155-F569 HydrophobicContact CE2-CD2 4.36Å; F155-F569 AromaticContact CE2-CE2 3.83Å; F155-F569 HydrophobicContact CE2-CE2 3.83Å; F155-F569 HydrophobicContact CZ-CD2 4.4Å; F155-F569 AromaticContact CZ-CE2 3.46Å; F155-F569 HydrophobicContact CZ-CE2 3.46Å; F155-F569 VanDerWaalsContact CZ-CE2 3.46Å; F155-F569 HydrophobicContact CZ-CZ 4.19Å; L516-F569 HydrophobicContact CD2-CZ 4.1Å; P519-F569 HydrophobicContact CG-CD1 4.22Å; P519-F569 HydrophobicContact CG-CE1 3.96Å; S565-F569 WeakPolarHBondContact O-CB 3.17Å; S565-F569 PolarHBondContact O-N 2.9Å; Q566-F569 PolarHBondContact O-N 3.45Å; F569-V573 HydrophobicContact CD2-CB 3.88Å; F569-V573 HydrophobicContact CD2-CG1 4.4Å; F569-V573 HydrophobicContact CD2-CG2 3.98Å; F569-V573 HydrophobicContact CE2-CB 3.74Å; F569-V573 HydrophobicContact CE2-CG1 3.76Å; F569-V573 HydrophobicContact CE2-CG2 4.09Å; F569-V573 HydrophobicContact CZ-CG1 4.39Å; F569-V573 WeakPolarHBondContact O-CA 3.46Å; F569-V573 WeakPolarHBondContact O-CB 3.3Å; F569-V573 PolarHBondContact O-N 3.46Å; F569-C574 WeakPolarHBondContact CE1-SG 3.41Å; F569-C574 VanDerWaalsContact CZ-SG 3.56Å; F569-C574 PolarHBondContact O-N 3.47Å; F569-C574 VanDerWaalsContact O-N 3.1Å
570	I	98	Very high	95.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.118	C	C	.	.	I	π-helix	trans	-64.9	-51	173.8	-64.5	167.7	0	0	0	110.8	P519 Y526 Q566 V567 S568 F572 H575 L596 R600	P519-I570 HydrophobicContact CB-CD1 4.14Å; P519-I570 HydrophobicContact CB-CG1 3.91Å; Y526-I570 HydrophobicContact CE1-CD1 4.19Å; Q566-I570 VanDerWaalsContact O-CG1 3.3Å; Q566-I570 WeakPolarHBondContact O-CG1 3.47Å; Q566-I570 PolarHBondContact O-N 2.92Å; V567-I570 PolarHBondContact O-N 3.36Å; S568-I570 VanDerWaalsContact C-N 3.3Å; S568-I570 PolarHBondContact O-N 3.34Å; I570-F572 VanDerWaalsContact C-N 3.34Å; I570-F572 PolarHBondContact O-N 3.46Å; I570-H575 HydrophobicContact CG2-CB 4.05Å; I570-H575 WeakPolarHBondContact O-CB 3.46Å; I570-H575 PolarHBondContact O-N 3.14Å; I570-L596 HydrophobicContact CD1-CD1 4.18Å; I570-L596 HydrophobicContact CG1-CD1 4Å; I570-L596 HydrophobicContact CG2-CD1 3.75Å; I570-L596 HydrophobicContact CG2-CD2 4.33Å; I570-L596 HydrophobicContact CG2-CG 3.89Å; I570-R600 HydrophobicContact CB-CB 4.39Å; I570-R600 HydrophobicContact CB-CG 4.13Å; I570-R600 HydrophobicContact CD1-CB 3.74Å; I570-R600 HydrophobicContact CD1-CG 4.23Å; I570-R600 HydrophobicContact CG2-CB 3.93Å; I570-R600 HydrophobicContact CG2-CG 3.85Å
571	D	94.6	Very high	95.5	Very high	60 Å²	60	22.6 Å²	22.6	32%	0.321	11%	0.113	S	C	.	.	I	π-helix	trans	-62.5	-38.1	-174.4	-71.2	-8.6	0	0	0	112.5	V567 S568 R600	V567-D571 WeakPolarHBondContact O-CB 3.48Å; V567-D571 VanDerWaalsContact O-CG 3.28Å; V567-D571 PolarHBondContact O-N 3.47Å; S568-D571 PolarHBondContact O-N 2.89Å; D571-R600 IonicContact OD1-CZ 3.3Å; D571-R600 IonicContact OD1-NE 3.15Å; D571-R600 PolarHBondContact OD1-NE 3.31Å; D571-R600 IonicContact OD1-NH2 3.79Å; D571-R600 PolarHBondContact OD1-NH2 2.79Å; D571-R600 IonicContact OD2-CZ 3.32Å; D571-R600 IonicContact OD2-NE 3.55Å; D571-R600 IonicContact OD2-NH2 3.74Å; D571-R600 PolarHBondContact OD2-NH2 2.86Å
572	F	91.5	Very high	95.6	Very high	29 Å²	29	19.3 Å²	19.3	13%	0.127	10%	0.098	C	C	.	.	I	π-helix	trans	-100.5	-21.4	-173.5	-66.5	-62.6	0	0	0	115.3	L130 E133 L134 F137 I151 S568 I570	L130-F572 HydrophobicContact CD1-CB 4.46Å; L130-F572 HydrophobicContact CD1-CD1 3.99Å; E133-F572 HydrophobicContact CB-CE1 4.4Å; L134-F572 HydrophobicContact CD2-CD1 4.02Å; L134-F572 HydrophobicContact CD2-CD2 3.88Å; L134-F572 HydrophobicContact CD2-CE1 4.17Å; L134-F572 HydrophobicContact CD2-CE2 4.05Å; L134-F572 HydrophobicContact CD2-CG 3.89Å; L134-F572 HydrophobicContact CD2-CZ 4.19Å; F137-F572 HydrophobicContact CB-CZ 4.19Å; F137-F572 AromaticContact CD1-CE2 3.96Å; F137-F572 HydrophobicContact CD1-CE2 3.96Å; F137-F572 HydrophobicContact CD1-CZ 4.34Å; F137-F572 HydrophobicContact CD2-CE2 4.06Å; F137-F572 HydrophobicContact CD2-CZ 4.02Å; F137-F572 HydrophobicContact CE1-CE2 4.06Å; F137-F572 HydrophobicContact CE2-CE2 4.15Å; F137-F572 AromaticContact CG-CE2 3.96Å; F137-F572 HydrophobicContact CG-CE2 3.96Å; F137-F572 AromaticContact CG-CZ 3.93Å; F137-F572 HydrophobicContact CG-CZ 3.93Å; F137-F572 HydrophobicContact CZ-CE2 4.15Å; I151-F572 HydrophobicContact CD1-CB 3.84Å; I151-F572 HydrophobicContact CD1-CD2 3.83Å; I151-F572 HydrophobicContact CD1-CG 4.18Å; S568-F572 WeakPolarHBondContact O-CB 3.15Å; S568-F572 WeakPolarHBondContact O-CD2 3.48Å; S568-F572 PolarHBondContact O-N 2.97Å; I570-F572 VanDerWaalsContact C-N 3.34Å; I570-F572 PolarHBondContact O-N 3.46Å
573	V	94.7	Very high	95.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.105	C	C	.	.	I	π-helix	trans	-125.3	-63.3	-173.2	-174.5	0	0	0	0	111.8	I151 F155 H473 L516 F569 P576 L577	I151-V573 HydrophobicContact CG1-CG2 4.33Å; I151-V573 HydrophobicContact CG2-CG2 4.08Å; F155-V573 HydrophobicContact CD1-CG1 3.76Å; F155-V573 HydrophobicContact CD2-CG2 4.02Å; F155-V573 HydrophobicContact CE1-CG1 3.7Å; F155-V573 HydrophobicContact CE2-CG1 4.5Å; F155-V573 HydrophobicContact CE2-CG2 4.27Å; F155-V573 HydrophobicContact CG-CG1 4.2Å; F155-V573 HydrophobicContact CG-CG2 4.2Å; F155-V573 HydrophobicContact CZ-CG1 4.12Å; H473-V573 WeakPolarHBondContact CE1-CG1 3.31Å; L516-V573 HydrophobicContact CD1-CG1 4.24Å; F569-V573 HydrophobicContact CD2-CB 3.88Å; F569-V573 HydrophobicContact CD2-CG1 4.4Å; F569-V573 HydrophobicContact CD2-CG2 3.98Å; F569-V573 HydrophobicContact CE2-CB 3.74Å; F569-V573 HydrophobicContact CE2-CG1 3.76Å; F569-V573 HydrophobicContact CE2-CG2 4.09Å; F569-V573 HydrophobicContact CZ-CG1 4.39Å; F569-V573 WeakPolarHBondContact O-CA 3.46Å; F569-V573 WeakPolarHBondContact O-CB 3.3Å; F569-V573 PolarHBondContact O-N 3.46Å; V573-P576 WeakPolarHBondContact O-CD 3.49Å; V573-L577 PolarHBondContact O-N 3.29Å
574	C	97	Very high	95.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.091	C	C	.	.	I	π-helix	trans	-69.8	-45.5	-172.3	-72.1	0	0	0	0	113.2	F569 L577 W578 L596	F569-C574 WeakPolarHBondContact CE1-SG 3.41Å; F569-C574 VanDerWaalsContact CZ-SG 3.56Å; F569-C574 PolarHBondContact O-N 3.47Å; F569-C574 VanDerWaalsContact O-N 3.1Å; C574-L577 PolarHBondContact O-N 2.79Å; C574-W578 WeakPolarHBondContact O-CB 3.21Å; C574-W578 VanDerWaalsContact O-CD1 3.31Å; C574-W578 PolarHBondContact O-N 3.14Å; C574-L596 HydrophobicContact CB-CD1 4.37Å; C574-L596 HydrophobicContact CB-CD2 4.49Å
575	H	96.9	Very high	95.3	Very high	30 Å²	30	16.6 Å²	16.6	14%	0.139	9%	0.085	C	C	.	.	H	α-helix	trans	-65.4	-46	-176.6	-170.7	-64.8	0	0	0	112.2	I570 L577 W578 E579 L596 E597	I570-H575 HydrophobicContact CG2-CB 4.05Å; I570-H575 WeakPolarHBondContact O-CB 3.46Å; I570-H575 PolarHBondContact O-N 3.14Å; H575-L577 VanDerWaalsContact C-N 3.25Å; H575-L577 PolarHBondContact O-N 3.13Å; H575-W578 PolarHBondContact O-N 3.14Å; H575-E579 IonicContact ND1-OE2 3.69Å; H575-E579 WeakPolarHBondContact O-CB 3.32Å; H575-E579 PolarHBondContact O-N 3.33Å; H575-L596 HydrophobicContact CB-CD2 4.07Å; H575-E597 IonicContact NE2-OE1 3.44Å
576	P	95.2	Very high	95	Very high	18 Å²	18	22 Å²	22	12%	0.117	11%	0.11	C	C	.	.	H	α-helix	trans	-57.2	-37.2	174.8	-27.3	36.1	0	0	0	113.8	L477 V573 T580	L477-P576 HydrophobicContact CD2-CB 4.04Å; V573-P576 WeakPolarHBondContact O-CD 3.49Å; P576-T580 WeakPolarHBondContact O-CB 3.24Å; P576-T580 PolarHBondContact O-N 3.27Å; P576-T580 PolarHBondContact O-OG1 3.06Å
577	L	96.7	Very high	94.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-68.4	-55.3	176.2	177.3	63.2	0	0	0	111.6	L477 L480 L516 V573 C574 H575 E579 T580 W581	L477-L577 HydrophobicContact CD1-CD1 4.4Å; L480-L577 HydrophobicContact CD2-CD1 4.29Å; L516-L577 HydrophobicContact CB-CD2 4.2Å; L516-L577 HydrophobicContact CD1-CD2 3.84Å; V573-L577 PolarHBondContact O-N 3.29Å; C574-L577 PolarHBondContact O-N 2.79Å; H575-L577 VanDerWaalsContact C-N 3.25Å; H575-L577 PolarHBondContact O-N 3.13Å; L577-E579 PolarHBondContact O-N 3.2Å; L577-T580 PolarHBondContact O-N 3.28Å; L577-T580 VanDerWaalsContact O-N 3.16Å; L577-W581 PolarHBondContact O-N 2.98Å
578	W	98.1	Very high	94.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-66.2	-35.6	-177.3	-82.2	109	0	0	0	113	W299 L372 C513 L516 C574 H575 T580 W581 C582 I592 L593 L596	W299-W578 AromaticContact CH2-CH2 3.51Å; W299-W578 HydrophobicContact CH2-CH2 3.51Å; W299-W578 AromaticContact CH2-CZ2 3.67Å; W299-W578 HydrophobicContact CH2-CZ2 3.67Å; W299-W578 HydrophobicContact CH2-CZ3 4.43Å; W299-W578 HydrophobicContact CZ2-CH2 4.49Å; W299-W578 HydrophobicContact CZ2-CZ2 4.45Å; W299-W578 AromaticContact CZ3-CH2 3.95Å; W299-W578 HydrophobicContact CZ3-CH2 3.95Å; L372-W578 HydrophobicContact CD1-CH2 4.23Å; L372-W578 HydrophobicContact CD2-CH2 3.97Å; L372-W578 HydrophobicContact CD2-CZ3 3.99Å; C513-W578 HydrophobicContact CB-CH2 3.88Å; C513-W578 HydrophobicContact CB-CZ2 3.96Å; C513-W578 HydrophobicContact CB-CZ3 4.28Å; C513-W578 WeakPolarHBondContact O-CZ2 3.35Å; L516-W578 PolarHBondContact O-NE1 3.16Å; C574-W578 WeakPolarHBondContact O-CB 3.21Å; C574-W578 VanDerWaalsContact O-CD1 3.31Å; C574-W578 PolarHBondContact O-N 3.14Å; H575-W578 PolarHBondContact O-N 3.14Å; W578-T580 VanDerWaalsContact C-N 3.34Å; W578-W581 HydrophobicContact CE3-CB 4.36Å; W578-W581 AromaticContact CE3-CD1 3.96Å; W578-W581 HydrophobicContact CE3-CG 4.35Å; W578-W581 AromaticContact CZ3-CD1 3.72Å; W578-W581 HydrophobicContact CZ3-CG 4.32Å; W578-W581 PolarHBondContact O-N 3.15Å; W578-C582 VanDerWaalsContact O-CB 3.32Å; W578-C582 WeakPolarHBondContact O-CB 3.23Å; W578-C582 PolarHBondContact O-N 3.41Å; W578-C582 PolarHBondContact O-SG 2.95Å; W578-I592 HydrophobicContact CD2-CG2 3.84Å; W578-I592 HydrophobicContact CE3-CB 4.43Å; W578-I592 HydrophobicContact CE3-CD1 4.39Å; W578-I592 HydrophobicContact CE3-CG2 3.57Å; W578-I592 HydrophobicContact CH2-CD1 4.12Å; W578-I592 HydrophobicContact CH2-CG2 4.05Å; W578-I592 HydrophobicContact CZ2-CG2 4.28Å; W578-I592 HydrophobicContact CZ3-CB 4.48Å; W578-I592 HydrophobicContact CZ3-CD1 3.65Å; W578-I592 HydrophobicContact CZ3-CG2 3.7Å; W578-L593 HydrophobicContact CB-CD1 4.32Å; W578-L596 HydrophobicContact CB-CD2 3.95Å; W578-L596 HydrophobicContact CG-CD2 4.26Å
579	E	96.4	Very high	94.4	Very high	67 Å²	67	27.3 Å²	27.3	31%	0.313	15%	0.146	S	C	.	.	H	α-helix	trans	-59.7	-46.5	172.1	-178.2	-175	-160.9	0	0	110.5	H575 L577 C582 D583 L593	H575-E579 IonicContact ND1-OE2 3.69Å; H575-E579 WeakPolarHBondContact O-CB 3.32Å; H575-E579 PolarHBondContact O-N 3.33Å; L577-E579 PolarHBondContact O-N 3.2Å; E579-C582 PolarHBondContact O-N 2.95Å; E579-D583 WeakPolarHBondContact O-CB 3.46Å; E579-D583 PolarHBondContact O-N 3.47Å; E579-L593 HydrophobicContact CB-CD1 4.42Å
580	T	94.1	Very high	94.3	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.031	16%	0.16	C	C	.	.	H	α-helix	trans	-66.9	-40.1	179.6	-51.4	0	0	0	0	111.4	L477 L480 R481 V484 P576 L577 W578 D583 L584	L477-T580 HydrophobicContact CD1-CG2 4.28Å; L477-T580 WeakPolarHBondContact CD1-OG1 3.41Å; L480-T580 HydrophobicContact CB-CG2 4.08Å; L480-T580 HydrophobicContact CD2-CG2 3.77Å; L480-T580 HydrophobicContact CG-CG2 3.68Å; R481-T580 HydrophobicContact CB-CG2 4.24Å; R481-T580 HydrophobicContact CG-CG2 3.47Å; R481-T580 VanDerWaalsContact CG-CG2 3.47Å; R481-T580 PolarHBondContact NH2-OG1 3.04Å; V484-T580 HydrophobicContact CG2-CG2 4.07Å; P576-T580 WeakPolarHBondContact O-CB 3.24Å; P576-T580 PolarHBondContact O-N 3.27Å; P576-T580 PolarHBondContact O-OG1 3.06Å; L577-T580 PolarHBondContact O-N 3.28Å; L577-T580 VanDerWaalsContact O-N 3.16Å; W578-T580 VanDerWaalsContact C-N 3.34Å; T580-D583 WeakPolarHBondContact O-CB 3.29Å; T580-D583 PolarHBondContact O-N 3.28Å; T580-L584 PolarHBondContact O-N 3.44Å
581	W	96.6	Very high	94.2	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.008	19%	0.186	C	C	.	.	H	α-helix	trans	-61.6	-46	173	-178.4	-94.6	0	0	0	111.7	L372 L378 L480 I506 N509 M510 L577 W578 D583 L584 V585	L372-W581 HydrophobicContact CB-CZ2 4.24Å; L372-W581 HydrophobicContact CD2-CZ2 4.36Å; L378-W581 HydrophobicContact CD1-CH2 4.23Å; L378-W581 HydrophobicContact CD1-CZ2 4.15Å; L480-W581 HydrophobicContact CD1-CE3 4.34Å; L480-W581 HydrophobicContact CD2-CB 4.39Å; L480-W581 HydrophobicContact CD2-CE3 4.43Å; I506-W581 HydrophobicContact CG2-CH2 4.03Å; I506-W581 HydrophobicContact CG2-CZ3 4.06Å; N509-W581 HydrophobicContact CB-CE3 4.47Å; N509-W581 HydrophobicContact CB-CZ3 4.32Å; M510-W581 HydrophobicContact CB-CH2 3.63Å; M510-W581 HydrophobicContact CB-CZ2 4.46Å; M510-W581 HydrophobicContact CB-CZ3 3.99Å; M510-W581 HydrophobicContact CE-CH2 3.64Å; M510-W581 HydrophobicContact CE-CZ2 4Å; M510-W581 HydrophobicContact CG-CH2 3.9Å; M510-W581 HydrophobicContact CG-CZ2 4.29Å; L577-W581 PolarHBondContact O-N 2.98Å; W578-W581 HydrophobicContact CE3-CB 4.36Å; W578-W581 AromaticContact CE3-CD1 3.96Å; W578-W581 HydrophobicContact CE3-CG 4.35Å; W578-W581 AromaticContact CZ3-CD1 3.72Å; W578-W581 HydrophobicContact CZ3-CG 4.32Å; W578-W581 PolarHBondContact O-N 3.15Å; W581-D583 VanDerWaalsContact C-N 3.3Å; W581-D583 PolarHBondContact O-N 3.41Å; W581-L584 HydrophobicContact CE3-CD2 4.47Å; W581-L584 HydrophobicContact CZ3-CD2 4.34Å; W581-L584 WeakPolarHBondContact O-CA 3.41Å; W581-L584 VanDerWaalsContact O-CB 3.31Å; W581-L584 WeakPolarHBondContact O-CB 3.4Å; W581-L584 PolarHBondContact O-N 3.13Å; W581-V585 HydrophobicContact CZ2-CG1 4.18Å; W581-V585 WeakPolarHBondContact O-CG2 3.43Å; W581-V585 PolarHBondContact O-N 2.97Å
582	C	95.3	Very high	94.4	Very high	9 Å²	9	32.4 Å²	32.4	6%	0.061	17%	0.172	C	C	.	.	H	α-helix	trans	-60.6	-39.8	177.2	-70	0	0	0	0	112	W578 E579 L584 V585 H586 A589	W578-C582 VanDerWaalsContact O-CB 3.32Å; W578-C582 WeakPolarHBondContact O-CB 3.23Å; W578-C582 PolarHBondContact O-N 3.41Å; W578-C582 PolarHBondContact O-SG 2.95Å; E579-C582 PolarHBondContact O-N 2.95Å; C582-L584 VanDerWaalsContact C-N 3.29Å; C582-L584 PolarHBondContact O-N 3.27Å; C582-V585 CarbonylContact O-C 3.55Å; C582-V585 PolarHBondContact O-N 3.23Å; C582-H586 VanDerWaalsContact O-CA 3.24Å; C582-H586 WeakPolarHBondContact O-CA 3.4Å; C582-H586 VanDerWaalsContact O-CB 3.31Å; C582-H586 WeakPolarHBondContact O-CB 3.47Å; C582-H586 PolarHBondContact O-N 3.06Å; C582-A589 HydrophobicContact CB-CB 4.32Å; C582-A589 WeakPolarHBondContact SG-CB 3.38Å; C582-A589 PolarHBondContact SG-O 2.72Å; C582-A589 VanDerWaalsContact SG-O 3.4Å
583	D	92.3	Very high	94.7	Very high	67 Å²	67	31.8 Å²	31.8	36%	0.358	17%	0.17	S	C	.	.	H	α-helix	trans	-61	-37.6	172.8	-100.6	7.9	0	0	0	112.3	V484 K488 E579 T580 W581	V484-D583 HydrophobicContact CG1-CB 3.8Å; V484-D583 HydrophobicContact CG2-CB 4.23Å; K488-D583 IonicContact NZ-OD2 2.86Å; K488-D583 PolarHBondContact NZ-OD2 2.93Å; E579-D583 WeakPolarHBondContact O-CB 3.46Å; E579-D583 PolarHBondContact O-N 3.47Å; T580-D583 WeakPolarHBondContact O-CB 3.29Å; T580-D583 PolarHBondContact O-N 3.28Å; W581-D583 VanDerWaalsContact C-N 3.3Å; W581-D583 PolarHBondContact O-N 3.41Å
584	L	91.2	Very high	94.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67	-44.6	177.3	-174.7	70.4	0	0	0	111.7	L480 M483 V484 K487 L495 I506 T580 W581 C582	L480-L584 HydrophobicContact CD1-CD2 3.72Å; M483-L584 HydrophobicContact CG-CD1 4.37Å; M483-L584 HydrophobicContact SD-CD1 4.49Å; V484-L584 HydrophobicContact CG2-CB 3.75Å; V484-L584 HydrophobicContact CG2-CD1 4.01Å; K487-L584 PolarHBondContact NZ-O 2.93Å; L495-L584 HydrophobicContact CD1-CD1 3.73Å; L495-L584 HydrophobicContact CD1-CG 4.03Å; L495-L584 HydrophobicContact CD2-CD1 3.61Å; L495-L584 HydrophobicContact CG-CD1 4.25Å; I506-L584 HydrophobicContact CD1-CD2 4.43Å; I506-L584 HydrophobicContact CG1-CD2 4.24Å; I506-L584 HydrophobicContact CG2-CD2 4.28Å; T580-L584 PolarHBondContact O-N 3.44Å; W581-L584 HydrophobicContact CE3-CD2 4.47Å; W581-L584 HydrophobicContact CZ3-CD2 4.34Å; W581-L584 WeakPolarHBondContact O-CA 3.41Å; W581-L584 VanDerWaalsContact O-CB 3.31Å; W581-L584 WeakPolarHBondContact O-CB 3.4Å; W581-L584 PolarHBondContact O-N 3.13Å; C582-L584 VanDerWaalsContact C-N 3.29Å; C582-L584 PolarHBondContact O-N 3.27Å
585	V	93	Very high	94.9	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-105.1	15.7	-174.1	-56.2	0	0	0	0	114	A375 A377 L378 W581 C582 C588 A589	A375-V585 HydrophobicContact CB-CB 4.16Å; A375-V585 HydrophobicContact CB-CG1 4.26Å; A377-V585 HydrophobicContact CB-CB 4.11Å; A377-V585 HydrophobicContact CB-CG1 4.45Å; L378-V585 HydrophobicContact CD1-CG1 4.02Å; L378-V585 HydrophobicContact CD2-CG1 4.36Å; L378-V585 HydrophobicContact CG-CG1 4.07Å; W581-V585 HydrophobicContact CZ2-CG1 4.18Å; W581-V585 WeakPolarHBondContact O-CG2 3.43Å; W581-V585 PolarHBondContact O-N 2.97Å; C582-V585 CarbonylContact O-C 3.55Å; C582-V585 PolarHBondContact O-N 3.23Å; V585-C588 HydrophobicContact CB-CB 4.49Å; V585-C588 HydrophobicContact CG2-CB 4.38Å; V585-C588 VanDerWaalsContact O-CB 3.31Å; V585-C588 WeakPolarHBondContact O-CB 3.26Å; V585-C588 PolarHBondContact O-N 3.43Å; V585-C588 PolarHBondContact O-SG 3.1Å; V585-C588 VanDerWaalsContact O-SG 3.37Å; V585-A589 HydrophobicContact CG2-CB 3.62Å
586	H	90	Very high	95	Very high	120 Å²	120	35 Å²	35	56%	0.556	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	131.6	-176.4	176.1	-77.8	0	0	0	111.7	C582	C582-H586 VanDerWaalsContact O-CA 3.24Å; C582-H586 WeakPolarHBondContact O-CA 3.4Å; C582-H586 VanDerWaalsContact O-CB 3.31Å; C582-H586 WeakPolarHBondContact O-CB 3.47Å; C582-H586 PolarHBondContact O-N 3.06Å
587	P	91.4	Very high	95.1	Very high	86 Å²	86	38.2 Å²	38.2	56%	0.558	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	cis	-96.5	8.9	8.5	37.3	-35.2	0	0	0	115.5	A589 Q590	P587-A589 VanDerWaalsContact C-N 3.27Å; P587-A589 PolarHBondContact O-N 3.43Å; P587-A589 VanDerWaalsContact O-N 3.1Å; P587-Q590 PolarHBondContact O-N 3.05Å
588	C	90.6	Very high	95.2	Very high	49 Å²	49	43.8 Å²	43.8	33%	0.331	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-22	-162.4	-55.8	0	0	0	0	115.7	A375 V585	A375-C588 HydrophobicContact CB-CB 3.93Å; V585-C588 HydrophobicContact CB-CB 4.49Å; V585-C588 HydrophobicContact CG2-CB 4.38Å; V585-C588 VanDerWaalsContact O-CB 3.31Å; V585-C588 WeakPolarHBondContact O-CB 3.26Å; V585-C588 PolarHBondContact O-N 3.43Å; V585-C588 PolarHBondContact O-SG 3.1Å; V585-C588 VanDerWaalsContact O-SG 3.37Å
589	A	93	Very high	95.3	Very high	5 Å²	5	44.1 Å²	44.1	4%	0.041	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	10.4	-173.2	0	0	0	0	0	114.5	C582 V585 P587 L591 I592 L593	C582-A589 HydrophobicContact CB-CB 4.32Å; C582-A589 WeakPolarHBondContact SG-CB 3.38Å; C582-A589 PolarHBondContact SG-O 2.72Å; C582-A589 VanDerWaalsContact SG-O 3.4Å; V585-A589 HydrophobicContact CG2-CB 3.62Å; P587-A589 VanDerWaalsContact C-N 3.27Å; P587-A589 PolarHBondContact O-N 3.43Å; P587-A589 VanDerWaalsContact O-N 3.1Å; A589-L591 VanDerWaalsContact C-N 3.28Å; A589-L591 PolarHBondContact O-N 3.41Å; A589-I592 HydrophobicContact CB-CD1 4.1Å; A589-I592 WeakPolarHBondContact O-CB 3.19Å; A589-I592 PolarHBondContact O-N 3.32Å; A589-L593 PolarHBondContact O-N 3.03Å
590	Q	94.2	Very high	95.4	Very high	85 Å²	85	43.1 Å²	43.1	40%	0.397	23%	0.227	S	C	.	.	H	α-helix	trans	-57.2	-39.4	-175.6	-169.9	62.2	52.1	0	0	113.1	P587 I592 L593 D594	P587-Q590 PolarHBondContact O-N 3.05Å; Q590-I592 PolarHBondContact O-N 3.11Å; Q590-L593 PolarHBondContact O-N 3.18Å; Q590-L593 VanDerWaalsContact O-N 3.16Å; Q590-D594 PolarHBondContact NE2-OD1 3.23Å; Q590-D594 VanDerWaalsContact O-CG 3.26Å; Q590-D594 PolarHBondContact O-N 3.37Å
591	L	96	Very high	95.6	Very high	104 Å²	104	47 Å²	47	55%	0.545	25%	0.247	S	C	.	.	H	α-helix	trans	-55	-37.3	175.6	173.8	64.7	0	0	0	112.7	A589 T595	A589-L591 VanDerWaalsContact C-N 3.28Å; A589-L591 PolarHBondContact O-N 3.41Å; L591-T595 WeakPolarHBondContact O-CB 3.44Å; L591-T595 PolarHBondContact O-N 3.18Å; L591-T595 PolarHBondContact O-OG1 3.01Å
592	I	98.2	Very high	95.6	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.015	26%	0.259	C	S	.	.	H	α-helix	trans	-68	-45.4	-178.4	-55.6	178.6	0	0	0	109.5	W299 F371 L372 A520 W578 A589 Q590 T595 L596	W299-I592 HydrophobicContact CD2-CD1 4.18Å; W299-I592 HydrophobicContact CD2-CG1 3.98Å; W299-I592 HydrophobicContact CE3-CD1 3.85Å; W299-I592 HydrophobicContact CE3-CG1 4.18Å; W299-I592 HydrophobicContact CG-CG1 4.4Å; W299-I592 HydrophobicContact CH2-CD1 4.08Å; W299-I592 HydrophobicContact CH2-CG1 4.45Å; W299-I592 HydrophobicContact CH2-CG2 4.02Å; W299-I592 HydrophobicContact CZ2-CD1 4.45Å; W299-I592 HydrophobicContact CZ2-CG1 4.32Å; W299-I592 HydrophobicContact CZ2-CG2 3.73Å; W299-I592 HydrophobicContact CZ3-CD1 3.74Å; W299-I592 HydrophobicContact CZ3-CG1 4.36Å; F371-I592 HydrophobicContact CE1-CD1 4.16Å; L372-I592 HydrophobicContact CD2-CD1 4.18Å; A520-I592 HydrophobicContact CB-CG2 3.49Å; A520-I592 VanDerWaalsContact CB-CG2 3.49Å; W578-I592 HydrophobicContact CD2-CG2 3.84Å; W578-I592 HydrophobicContact CE3-CB 4.43Å; W578-I592 HydrophobicContact CE3-CD1 4.39Å; W578-I592 HydrophobicContact CE3-CG2 3.57Å; W578-I592 HydrophobicContact CH2-CD1 4.12Å; W578-I592 HydrophobicContact CH2-CG2 4.05Å; W578-I592 HydrophobicContact CZ2-CG2 4.28Å; W578-I592 HydrophobicContact CZ3-CB 4.48Å; W578-I592 HydrophobicContact CZ3-CD1 3.65Å; W578-I592 HydrophobicContact CZ3-CG2 3.7Å; A589-I592 HydrophobicContact CB-CD1 4.1Å; A589-I592 WeakPolarHBondContact O-CB 3.19Å; A589-I592 PolarHBondContact O-N 3.32Å; Q590-I592 PolarHBondContact O-N 3.11Å; I592-T595 PolarHBondContact O-N 2.85Å; I592-L596 WeakPolarHBondContact O-CB 3.47Å; I592-L596 PolarHBondContact O-N 3.43Å
593	L	97.3	Very high	95.8	Very high	17 Å²	17	49.7 Å²	49.7	9%	0.089	26%	0.256	C	S	.	.	H	α-helix	trans	-67.6	-43.7	-179.8	-162.5	64.2	0	0	0	111.6	W578 E579 A589 Q590 T595 L596 E597	W578-L593 HydrophobicContact CB-CD1 4.32Å; E579-L593 HydrophobicContact CB-CD1 4.42Å; A589-L593 PolarHBondContact O-N 3.03Å; Q590-L593 PolarHBondContact O-N 3.18Å; Q590-L593 VanDerWaalsContact O-N 3.16Å; L593-T595 VanDerWaalsContact C-N 3.32Å; L593-T595 PolarHBondContact O-N 3.41Å; L593-L596 HydrophobicContact CD1-CD2 4.4Å; L593-L596 WeakPolarHBondContact O-CB 3.37Å; L593-L596 PolarHBondContact O-N 3.31Å; L593-L596 VanDerWaalsContact O-N 3.16Å; L593-E597 WeakPolarHBondContact O-CG 3.48Å; L593-E597 PolarHBondContact O-N 3.24Å
594	D	98.1	Very high	95.9	Very high	73 Å²	73	48.8 Å²	48.8	39%	0.39	25%	0.25	S	S	.	.	H	α-helix	trans	-59.3	-44.2	176.1	-63.6	-8.4	0	0	0	110.8	Q590 L596 E597 D598	Q590-D594 PolarHBondContact NE2-OD1 3.23Å; Q590-D594 VanDerWaalsContact O-CG 3.26Å; Q590-D594 PolarHBondContact O-N 3.37Å; D594-L596 VanDerWaalsContact C-N 3.34Å; D594-L596 PolarHBondContact O-N 2.86Å; D594-E597 PolarHBondContact O-N 3.29Å; D594-D598 PolarHBondContact O-N 2.83Å
595	T	98.6	Very high	96.1	Very high	24 Å²	24	51.7 Å²	51.7	15%	0.147	27%	0.27	C	S	.	.	H	α-helix	trans	-65.6	-37	177.6	-55	0	0	0	0	112	A520 L591 I592 L593 N599	A520-T595 WeakPolarHBondContact O-CB 3.25Å; A520-T595 VanDerWaalsContact O-CG2 3.23Å; A520-T595 WeakPolarHBondContact O-CG2 3.41Å; L591-T595 WeakPolarHBondContact O-CB 3.44Å; L591-T595 PolarHBondContact O-N 3.18Å; L591-T595 PolarHBondContact O-OG1 3.01Å; I592-T595 PolarHBondContact O-N 2.85Å; L593-T595 VanDerWaalsContact C-N 3.32Å; L593-T595 PolarHBondContact O-N 3.41Å; T595-N599 VanDerWaalsContact O-CB 3.31Å; T595-N599 WeakPolarHBondContact O-CB 3.46Å; T595-N599 PolarHBondContact O-N 2.96Å; T595-N599 PolarHBondContact O-ND2 2.9Å
596	L	98.7	Very high	96.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64	-44.8	176.3	-178.1	63.1	0	0	0	111.4	P519 A520 I570 C574 H575 W578 I592 L593 D594 N599 R600	P519-L596 HydrophobicContact CB-CD1 3.61Å; P519-L596 WeakPolarHBondContact O-CD1 3.49Å; A520-L596 HydrophobicContact CB-CB 3.95Å; A520-L596 HydrophobicContact CB-CD1 4.18Å; I570-L596 HydrophobicContact CD1-CD1 4.18Å; I570-L596 HydrophobicContact CG1-CD1 4Å; I570-L596 HydrophobicContact CG2-CD1 3.75Å; I570-L596 HydrophobicContact CG2-CD2 4.33Å; I570-L596 HydrophobicContact CG2-CG 3.89Å; C574-L596 HydrophobicContact CB-CD1 4.37Å; C574-L596 HydrophobicContact CB-CD2 4.49Å; H575-L596 HydrophobicContact CB-CD2 4.07Å; W578-L596 HydrophobicContact CB-CD2 3.95Å; W578-L596 HydrophobicContact CG-CD2 4.26Å; I592-L596 WeakPolarHBondContact O-CB 3.47Å; I592-L596 PolarHBondContact O-N 3.43Å; L593-L596 HydrophobicContact CD1-CD2 4.4Å; L593-L596 WeakPolarHBondContact O-CB 3.37Å; L593-L596 PolarHBondContact O-N 3.31Å; L593-L596 VanDerWaalsContact O-N 3.16Å; D594-L596 VanDerWaalsContact C-N 3.34Å; D594-L596 PolarHBondContact O-N 2.86Å; L596-N599 PolarHBondContact O-N 3.44Å; L596-R600 VanDerWaalsContact O-CB 3.26Å; L596-R600 WeakPolarHBondContact O-CB 3.49Å; L596-R600 PolarHBondContact O-N 2.95Å
597	E	98.5	Very high	96.1	Very high	86 Å²	86	49.1 Å²	49.1	40%	0.402	26%	0.258	S	S	.	.	H	α-helix	trans	-62.9	-47	176.3	-70.3	-179.8	-174.7	0	0	111.5	H575 L593 D594 N599 R600 D601	H575-E597 IonicContact NE2-OE1 3.44Å; L593-E597 WeakPolarHBondContact O-CG 3.48Å; L593-E597 PolarHBondContact O-N 3.24Å; D594-E597 PolarHBondContact O-N 3.29Å; E597-N599 PolarHBondContact O-N 2.84Å; E597-R600 WeakPolarHBondContact O-CB 3.17Å; E597-R600 PolarHBondContact O-N 3.38Å; E597-D601 PolarHBondContact O-N 3.3Å
598	D	98.7	Very high	95.5	Very high	117 Å²	117	50.5 Å²	50.5	63%	0.626	26%	0.255	S	S	*	.	H	α-helix	trans	-59.2	-45.4	176.8	-82.3	-15.5	0	0	0	111.9	D594 D601 W602	D594-D598 PolarHBondContact O-N 2.83Å; D598-D601 PolarHBondContact O-N 2.83Å; D598-W602 WeakPolarHBondContact O-CB 3.38Å; D598-W602 PolarHBondContact O-N 3.31Å
599	N	98.7	Very high	94.9	Very high	6 Å²	6	52.6 Å²	52.6	3%	0.032	26%	0.26	C	S	.	.	H	α-helix	trans	-64.1	-42.6	177.4	-76.6	-20.6	0	0	0	111.6	P519 K521 L523 Y526 T595 L596 E597 W602 Y603	P519-N599 PolarHBondContact O-ND2 3.33Å; K521-N599 PolarHBondContact O-ND2 3.4Å; L523-N599 WeakPolarHBondContact CA-OD1 3.14Å; L523-N599 WeakPolarHBondContact CB-OD1 3.09Å; Y526-N599 HydrophobicContact CD1-CB 3.92Å; Y526-N599 HydrophobicContact CE1-CB 4.1Å; T595-N599 VanDerWaalsContact O-CB 3.31Å; T595-N599 WeakPolarHBondContact O-CB 3.46Å; T595-N599 PolarHBondContact O-N 2.96Å; T595-N599 PolarHBondContact O-ND2 2.9Å; L596-N599 PolarHBondContact O-N 3.44Å; E597-N599 PolarHBondContact O-N 2.84Å; N599-W602 WeakPolarHBondContact O-CB 3.46Å; N599-W602 PolarHBondContact O-N 2.78Å; N599-Y603 VanDerWaalsContact O-CD2 3.29Å; N599-Y603 WeakPolarHBondContact O-CD2 3.41Å; N599-Y603 PolarHBondContact O-N 3.45Å
600	R	98.4	Very high	94	Very high	47 Å²	47	55.1 Å²	55.1	18%	0.177	28%	0.278	C	S	.	.	H	α-helix	trans	-59.2	-47.3	176.9	-177.8	-93.9	-176.5	-141.2	-9.4	111.3	I570 D571 L596 E597 W602 Y603 E604	I570-R600 HydrophobicContact CB-CB 4.39Å; I570-R600 HydrophobicContact CB-CG 4.13Å; I570-R600 HydrophobicContact CD1-CB 3.74Å; I570-R600 HydrophobicContact CD1-CG 4.23Å; I570-R600 HydrophobicContact CG2-CB 3.93Å; I570-R600 HydrophobicContact CG2-CG 3.85Å; D571-R600 IonicContact OD1-CZ 3.3Å; D571-R600 IonicContact OD1-NE 3.15Å; D571-R600 PolarHBondContact OD1-NE 3.31Å; D571-R600 IonicContact OD1-NH2 3.79Å; D571-R600 PolarHBondContact OD1-NH2 2.79Å; D571-R600 IonicContact OD2-CZ 3.32Å; D571-R600 IonicContact OD2-NE 3.55Å; D571-R600 IonicContact OD2-NH2 3.74Å; D571-R600 PolarHBondContact OD2-NH2 2.86Å; L596-R600 VanDerWaalsContact O-CB 3.26Å; L596-R600 WeakPolarHBondContact O-CB 3.49Å; L596-R600 PolarHBondContact O-N 2.95Å; E597-R600 WeakPolarHBondContact O-CB 3.17Å; E597-R600 PolarHBondContact O-N 3.38Å; R600-W602 VanDerWaalsContact C-N 3.32Å; R600-W602 PolarHBondContact O-N 3.4Å; R600-Y603 PolarHBondContact O-N 3.12Å; R600-E604 PolarHBondContact O-N 3.22Å
601	D	98.1	Very high	92.9	Very high	85 Å²	85	56.6 Å²	56.6	46%	0.455	28%	0.283	S	S	.	.	H	α-helix	trans	-68.3	-32.4	178.6	-82.4	-7	0	0	0	112.7	E597 D598 E604 C605	E597-D601 PolarHBondContact O-N 3.3Å; D598-D601 PolarHBondContact O-N 2.83Å; D601-E604 PolarHBondContact O-N 2.82Å; D601-C605 WeakPolarHBondContact O-CB 3.49Å; D601-C605 PolarHBondContact O-N 3.19Å; D601-C605 PolarHBondContact O-SG 2.93Å
602	W	98.3	Very high	91.4	Very high	64 Å²	64	57.9 Å²	57.9	24%	0.242	29%	0.288	C	S	.	.	H	α-helix	trans	-59.6	-49.2	171	-173.8	93.1	0	0	0	111.3	L523 R527 D598 N599 R600 C605 H606	L523-W602 HydrophobicContact CD1-CB 4.43Å; L523-W602 HydrophobicContact CD1-CD2 3.83Å; L523-W602 HydrophobicContact CD1-CE3 3.85Å; L523-W602 HydrophobicContact CD1-CG 4.08Å; L523-W602 HydrophobicContact CD2-CB 4.41Å; L523-W602 VanDerWaalsContact CD2-CD1 3.43Å; L523-W602 HydrophobicContact CD2-CD2 3.65Å; L523-W602 HydrophobicContact CD2-CE3 4.45Å; L523-W602 HydrophobicContact CD2-CG 3.57Å; L523-W602 HydrophobicContact CD2-CZ2 4.4Å; L523-W602 HydrophobicContact CG-CD2 4.34Å; L523-W602 HydrophobicContact CG-CG 4.49Å; R527-W602 VanDerWaalsContact NH1-CZ3 3.25Å; D598-W602 WeakPolarHBondContact O-CB 3.38Å; D598-W602 PolarHBondContact O-N 3.31Å; N599-W602 WeakPolarHBondContact O-CB 3.46Å; N599-W602 PolarHBondContact O-N 2.78Å; R600-W602 VanDerWaalsContact C-N 3.32Å; R600-W602 PolarHBondContact O-N 3.4Å; W602-C605 PolarHBondContact O-N 3.37Å; W602-H606 AromaticContact CD1-CE1 3.96Å; W602-H606 AromaticContact CD2-CE1 3.67Å; W602-H606 AromaticContact CD2-ND1 3.6Å; W602-H606 AromaticContact CE2-CE1 3.05Å; W602-H606 AromaticContact CE2-ND1 3.48Å; W602-H606 AromaticContact CE2-NE2 3.64Å; W602-H606 AromaticContact CE3-ND1 3.84Å; W602-H606 AromaticContact CH2-CD2 3.57Å; W602-H606 AromaticContact CH2-CE1 3.62Å; W602-H606 AromaticContact CH2-CG 3.67Å; W602-H606 AromaticContact CH2-ND1 3.67Å; W602-H606 AromaticContact CH2-NE2 3.53Å; W602-H606 AromaticContact CZ2-CD2 3.72Å; W602-H606 AromaticContact CZ2-CE1 3.09Å; W602-H606 WeakPolarHBondContact CZ2-CE1 2.88Å; W602-H606 AromaticContact CZ2-CG 3.97Å; W602-H606 AromaticContact CZ2-ND1 3.58Å; W602-H606 AromaticContact CZ2-NE2 3.14Å; W602-H606 WeakPolarHBondContact CZ2-NE2 3.09Å; W602-H606 HydrophobicContact CZ3-CB 4.49Å; W602-H606 AromaticContact CZ3-CG 3.93Å; W602-H606 AromaticContact CZ3-ND1 3.85Å; W602-H606 AromaticContact NE1-CE1 3.31Å; W602-H606 PolarHBondContact NE1-CE1 3.22Å; W602-H606 VanDerWaalsContact NE1-CE1 3.31Å; W602-H606 AromaticContact NE1-ND1 3.98Å; W602-H606 PolarHBondContact O-N 3.45Å; W602-H606 PolarHBondContact O-ND1 3.04Å
603	Y	97.7	Very high	89.8	Confident	4 Å²	4	64 Å²	64	2%	0.016	31%	0.314	C	S	.	.	H	α-helix	trans	-63.9	-42.4	177.1	-84	-79.2	0	0	0	111.9	L523 Y526 T530 E563 Q566 N599 R600 C605 H606 I607	L523-Y603 HydrophobicContact CD1-CE2 4.34Å; Y526-Y603 HydrophobicContact CD1-CD2 4.44Å; Y526-Y603 AromaticContact CD1-CE2 3.63Å; Y526-Y603 HydrophobicContact CD1-CE2 3.63Å; Y526-Y603 AromaticContact CE1-CD2 3.76Å; Y526-Y603 HydrophobicContact CE1-CD2 3.76Å; Y526-Y603 AromaticContact CE1-CE2 3.19Å; Y526-Y603 HydrophobicContact CE1-CE2 3.19Å; Y526-Y603 AromaticContact CZ-CE2 3.78Å; T530-Y603 PolarHBondContact OG1-OH 2.96Å; E563-Y603 HydrophobicContact CB-CD1 4.08Å; E563-Y603 HydrophobicContact CG-CD1 3.93Å; E563-Y603 HydrophobicContact CG-CE1 4.47Å; Q566-Y603 HydrophobicContact CB-CD1 3.87Å; Q566-Y603 HydrophobicContact CB-CD2 4.2Å; Q566-Y603 HydrophobicContact CB-CE1 4.05Å; Q566-Y603 HydrophobicContact CB-CE2 4.43Å; Q566-Y603 HydrophobicContact CB-CG 3.94Å; Q566-Y603 HydrophobicContact CG-CD1 4.07Å; Q566-Y603 HydrophobicContact CG-CE1 3.74Å; N599-Y603 VanDerWaalsContact O-CD2 3.29Å; N599-Y603 WeakPolarHBondContact O-CD2 3.41Å; N599-Y603 PolarHBondContact O-N 3.45Å; R600-Y603 PolarHBondContact O-N 3.12Å; Y603-C605 VanDerWaalsContact C-N 3.31Å; Y603-C605 PolarHBondContact O-N 3.35Å; Y603-H606 PolarHBondContact O-N 3.42Å; Y603-H606 VanDerWaalsContact O-N 3.09Å; Y603-I607 WeakPolarHBondContact O-CG1 3.44Å; Y603-I607 PolarHBondContact O-N 3.17Å; Y603-I607 VanDerWaalsContact O-N 3.12Å
604	E	96.2	Very high	88.2	Confident	48 Å²	48	68 Å²	68	22%	0.224	34%	0.339	C	S	.	.	H	α-helix	trans	-59.9	-39.2	176.5	175.4	60.7	-159.7	0	0	112.4	V567 R600 D601 I607 K608	V567-E604 HydrophobicContact CG2-CB 4Å; R600-E604 PolarHBondContact O-N 3.22Å; D601-E604 PolarHBondContact O-N 2.82Å; E604-I607 PolarHBondContact O-N 3.19Å; E604-K608 PolarHBondContact O-N 3.13Å; E604-K608 WeakPolarHBondContact OE1-CE 3.05Å; E604-K608 IonicContact OE1-NZ 3.17Å; E604-K608 PolarHBondContact OE1-NZ 3.09Å; E604-K608 VanDerWaalsContact OE1-NZ 3.17Å
605	C	95.3	Very high	86.5	Confident	62 Å²	62	69.1 Å²	69.1	42%	0.419	35%	0.349	S	S	.	.	H	α-helix	trans	-64.1	-39.9	174.2	-70.4	0	0	0	0	112.1	D601 W602 Y603 I607 K608 E609	D601-C605 WeakPolarHBondContact O-CB 3.49Å; D601-C605 PolarHBondContact O-N 3.19Å; D601-C605 PolarHBondContact O-SG 2.93Å; W602-C605 PolarHBondContact O-N 3.37Å; Y603-C605 VanDerWaalsContact C-N 3.31Å; Y603-C605 PolarHBondContact O-N 3.35Å; C605-I607 VanDerWaalsContact C-N 3.32Å; C605-I607 PolarHBondContact O-N 3.13Å; C605-K608 WeakPolarHBondContact O-CB 3.48Å; C605-K608 PolarHBondContact O-N 3.41Å; C605-K608 VanDerWaalsContact O-N 3.11Å; C605-E609 PolarHBondContact O-N 3.46Å
606	H	92.9	Very high	84.5	Confident	51 Å²	51	75.3 Å²	75.3	24%	0.236	38%	0.376	C	S	.	.	H	α-helix	trans	-70.7	-24.8	-179.5	-74.5	69.5	0	0	0	113.4	E563 W602 Y603 S610	E563-H606 HydrophobicContact CG-CB 4.08Å; W602-H606 AromaticContact CD1-CE1 3.96Å; W602-H606 AromaticContact CD2-CE1 3.67Å; W602-H606 AromaticContact CD2-ND1 3.6Å; W602-H606 AromaticContact CE2-CE1 3.05Å; W602-H606 AromaticContact CE2-ND1 3.48Å; W602-H606 AromaticContact CE2-NE2 3.64Å; W602-H606 AromaticContact CE3-ND1 3.84Å; W602-H606 AromaticContact CH2-CD2 3.57Å; W602-H606 AromaticContact CH2-CE1 3.62Å; W602-H606 AromaticContact CH2-CG 3.67Å; W602-H606 AromaticContact CH2-ND1 3.67Å; W602-H606 AromaticContact CH2-NE2 3.53Å; W602-H606 AromaticContact CZ2-CD2 3.72Å; W602-H606 AromaticContact CZ2-CE1 3.09Å; W602-H606 WeakPolarHBondContact CZ2-CE1 2.88Å; W602-H606 AromaticContact CZ2-CG 3.97Å; W602-H606 AromaticContact CZ2-ND1 3.58Å; W602-H606 AromaticContact CZ2-NE2 3.14Å; W602-H606 WeakPolarHBondContact CZ2-NE2 3.09Å; W602-H606 HydrophobicContact CZ3-CB 4.49Å; W602-H606 AromaticContact CZ3-CG 3.93Å; W602-H606 AromaticContact CZ3-ND1 3.85Å; W602-H606 AromaticContact NE1-CE1 3.31Å; W602-H606 PolarHBondContact NE1-CE1 3.22Å; W602-H606 VanDerWaalsContact NE1-CE1 3.31Å; W602-H606 AromaticContact NE1-ND1 3.98Å; W602-H606 PolarHBondContact O-N 3.45Å; W602-H606 PolarHBondContact O-ND1 3.04Å; Y603-H606 PolarHBondContact O-N 3.42Å; Y603-H606 VanDerWaalsContact O-N 3.09Å; H606-S610 WeakPolarHBondContact O-CB 3.46Å; H606-S610 PolarHBondContact O-N 3.19Å; H606-S610 VanDerWaalsContact O-N 3.13Å; H606-S610 PolarHBondContact O-OG 2.68Å
607	I	89	Confident	82.4	Confident	16 Å²	16	82.6 Å²	82.6	8%	0.082	41%	0.414	C	S	.	.	H	α-helix	trans	-63.5	-45.5	168.3	-60.7	164.9	0	0	0	110.1	E563 K564 V567 Y603 E604 C605 S610 K611	E563-I607 HydrophobicContact CB-CD1 4.39Å; E563-I607 HydrophobicContact CB-CG1 3.58Å; K564-I607 HydrophobicContact CB-CD1 4.27Å; K564-I607 HydrophobicContact CG-CD1 3.81Å; K564-I607 HydrophobicContact CG-CG1 4.06Å; K564-I607 HydrophobicContact CG-CG2 4.06Å; V567-I607 HydrophobicContact CB-CD1 4.39Å; V567-I607 HydrophobicContact CG2-CD1 3.76Å; Y603-I607 WeakPolarHBondContact O-CG1 3.44Å; Y603-I607 PolarHBondContact O-N 3.17Å; Y603-I607 VanDerWaalsContact O-N 3.12Å; E604-I607 PolarHBondContact O-N 3.19Å; C605-I607 VanDerWaalsContact C-N 3.32Å; C605-I607 PolarHBondContact O-N 3.13Å; I607-S610 PolarHBondContact O-N 3.48Å; I607-K611 WeakPolarHBondContact O-CG 3.37Å; I607-K611 PolarHBondContact O-N 3Å; I607-K611 VanDerWaalsContact O-N 3.15Å
608	K	78.8	Confident	80.1	Confident	114 Å²	114	82 Å²	82	50%	0.496	42%	0.424	S	S	.	.	H	α-helix	trans	-67	-43	-178.1	-68.2	169.8	-176.1	152.3	0	111.6	E604 C605 K611 M612	E604-K608 PolarHBondContact O-N 3.13Å; E604-K608 WeakPolarHBondContact OE1-CE 3.05Å; E604-K608 IonicContact OE1-NZ 3.17Å; E604-K608 PolarHBondContact OE1-NZ 3.09Å; E604-K608 VanDerWaalsContact OE1-NZ 3.17Å; C605-K608 WeakPolarHBondContact O-CB 3.48Å; C605-K608 PolarHBondContact O-N 3.41Å; C605-K608 VanDerWaalsContact O-N 3.11Å; K608-K611 PolarHBondContact O-N 3.11Å; K608-M612 WeakPolarHBondContact O-CG 3.47Å; K608-M612 PolarHBondContact O-N 3.47Å
609	E	78.2	Confident	77.3	Confident	93 Å²	93	86.4 Å²	86.4	44%	0.435	43%	0.432	S	S	.	.	H	α-helix	trans	-62.8	-42.1	177	-70.9	-173.2	-175.9	0	0	112.5	C605 K611 M612 K613	C605-E609 PolarHBondContact O-N 3.46Å; E609-K611 VanDerWaalsContact C-N 3.33Å; E609-K611 PolarHBondContact O-N 3.36Å; E609-M612 PolarHBondContact O-N 3.34Å; E609-M612 VanDerWaalsContact O-N 3.16Å; E609-K613 PolarHBondContact O-N 3.15Å
610	S	74.9	Confident	74.6	Confident	59 Å²	59	91 Å²	91	41%	0.413	46%	0.462	S	S	.	.	H	α-helix	trans	-62	-42	177.5	-61.2	0	0	0	0	111.3	H606 I607 M612 K613 V614	H606-S610 WeakPolarHBondContact O-CB 3.46Å; H606-S610 PolarHBondContact O-N 3.19Å; H606-S610 VanDerWaalsContact O-N 3.13Å; H606-S610 PolarHBondContact O-OG 2.68Å; I607-S610 PolarHBondContact O-N 3.48Å; S610-M612 PolarHBondContact O-N 2.94Å; S610-K613 PolarHBondContact O-N 3.16Å; S610-V614 WeakPolarHBondContact O-CG2 3.45Å; S610-V614 PolarHBondContact O-N 3.05Å; S610-V614 VanDerWaalsContact O-N 3.13Å
611	K	70.9	Confident	72	Confident	116 Å²	116	98.7 Å²	98.7	50%	0.504	50%	0.497	S	S	.	.	H	α-helix	trans	-62.5	-39.8	172.8	-72.5	179.6	179	-179.5	0	112.7	I607 K608 E609 T615	I607-K611 WeakPolarHBondContact O-CG 3.37Å; I607-K611 PolarHBondContact O-N 3Å; I607-K611 VanDerWaalsContact O-N 3.15Å; K608-K611 PolarHBondContact O-N 3.11Å; E609-K611 VanDerWaalsContact C-N 3.33Å; E609-K611 PolarHBondContact O-N 3.36Å; K611-T615 WeakPolarHBondContact O-CB 3.47Å; K611-T615 PolarHBondContact O-N 2.74Å; K611-T615 PolarHBondContact O-OG1 3.14Å
612	M	64.8	Low	69.2	Low	130 Å²	130	102 Å²	102	64%	0.64	51%	0.514	S	S	*	.	H	α-helix	trans	-66.3	-41.6	178	-76.9	-170.7	147.2	0	0	112.5	K608 E609 S610 T615 Q616	K608-M612 WeakPolarHBondContact O-CG 3.47Å; K608-M612 PolarHBondContact O-N 3.47Å; E609-M612 PolarHBondContact O-N 3.34Å; E609-M612 VanDerWaalsContact O-N 3.16Å; S610-M612 PolarHBondContact O-N 2.94Å; M612-T615 PolarHBondContact O-N 3.01Å; M612-Q616 WeakPolarHBondContact O-CG 3.33Å; M612-Q616 PolarHBondContact O-N 3.33Å
613	K	64.1	Low	66.2	Low	133 Å²	133	103 Å²	103	58%	0.578	54%	0.536	S	S	*	.	H	α-helix	trans	-62.6	-43.7	176.1	-74.3	176.5	-178.1	168	0	111.7	E609 S610 T615 Q616 L617	E609-K613 PolarHBondContact O-N 3.15Å; S610-K613 PolarHBondContact O-N 3.16Å; K613-T615 VanDerWaalsContact C-N 3.35Å; K613-T615 PolarHBondContact O-N 3.48Å; K613-Q616 PolarHBondContact O-N 3.01Å; K613-L617 PolarHBondContact O-N 3.3Å; K613-L617 VanDerWaalsContact O-N 3.14Å
614	V	62.6	Low	63.3	Low	99 Å²	99	109.9 Å²	109.9	60%	0.6	58%	0.578	S	S	*	*	H	α-helix	trans	-62.9	-41.6	175.8	174.9	0	0	0	0	111.3	S610 Q616 L617 A618	S610-V614 WeakPolarHBondContact O-CG2 3.45Å; S610-V614 PolarHBondContact O-N 3.05Å; S610-V614 VanDerWaalsContact O-N 3.13Å; V614-Q616 VanDerWaalsContact C-N 3.34Å; V614-Q616 PolarHBondContact O-N 3.29Å; V614-L617 PolarHBondContact O-N 3.43Å; V614-A618 WeakPolarHBondContact O-CB 3.47Å; V614-A618 PolarHBondContact O-N 2.96Å
615	T	62.2	Low	60.3	Low	97 Å²	97	111.8 Å²	111.8	60%	0.595	60%	0.602	S	S	*	*	H	α-helix	trans	-66.7	-33.1	179	-51	0	0	0	0	112.6	K611 M612 K613	K611-T615 WeakPolarHBondContact O-CB 3.47Å; K611-T615 PolarHBondContact O-N 2.74Å; K611-T615 PolarHBondContact O-OG1 3.14Å; M612-T615 PolarHBondContact O-N 3.01Å; K613-T615 VanDerWaalsContact C-N 3.35Å; K613-T615 PolarHBondContact O-N 3.48Å
616	Q	56.8	Low	57.4	Low	154 Å²	154	113.3 Å²	113.3	72%	0.72	62%	0.619	S	S	*	*	H	α-helix	trans	-72.3	-34.5	175.3	-73.1	-177.8	12.2	0	0	112.7	M612 K613 V614	M612-Q616 WeakPolarHBondContact O-CG 3.33Å; M612-Q616 PolarHBondContact O-N 3.33Å; K613-Q616 PolarHBondContact O-N 3.01Å; V614-Q616 VanDerWaalsContact C-N 3.34Å; V614-Q616 PolarHBondContact O-N 3.29Å
617	L	54.5	Low	54.6	Low	153 Å²	153	120.3 Å²	120.3	80%	0.801	65%	0.652	S	S	*	*	H	α-helix	trans	-75.4	-29.1	175.6	-78.1	154.9	0	0	0	112.9	K613 V614	K613-L617 PolarHBondContact O-N 3.3Å; K613-L617 VanDerWaalsContact O-N 3.14Å; V614-L617 PolarHBondContact O-N 3.43Å
618	A	49.8	Very low	52.1	Low	75 Å²	75	126.8 Å²	126.8	62%	0.62	69%	0.687	S	S	*	*	S	Bend	trans	-84.5	-3.5	-179.3	0	0	0	0	0	114.6	V614 P620	V614-A618 WeakPolarHBondContact O-CB 3.47Å; V614-A618 PolarHBondContact O-N 2.96Å; A618-P620 VanDerWaalsContact O-CD 3.32Å; A618-P620 WeakPolarHBondContact O-CD 3.32Å
619	R	41.6	Very low	50.1	Low	208 Å²	208	128.8 Å²	128.8	79%	0.785	70%	0.703	S	S	*	*	S	Bend	trans	-71	115.7	173.1	-126.8	179	-174.9	178.2	1.3	108	K621	R619-K621 PolarHBondContact O-N 2.82Å
620	P	41.8	Very low	48.2	Very low	102 Å²	102	132.5 Å²	132.5	66%	0.662	72%	0.721	S	S	*	*			trans	-59.5	134.9	171.8	26.4	-31	0	0	0	106.8	A618 L622	A618-P620 VanDerWaalsContact O-CD 3.32Å; A618-P620 WeakPolarHBondContact O-CD 3.32Å; P620-L622 VanDerWaalsContact C-N 3.35Å; P620-L622 PolarHBondContact O-N 3.28Å
621	K	42.8	Very low	46.2	Very low	210 Å²	210	138.9 Å²	138.9	91%	0.913	74%	0.744	S	S	*	*			trans	-49.4	109.5	165.2	-77.1	-177.2	177.1	179.2	0	105.5	R619 A623	R619-K621 PolarHBondContact O-N 2.82Å; K621-A623 PolarHBondContact O-N 3Å
622	L	38.7	Very low	44.7	Very low	155 Å²	155	140.2 Å²	140.2	81%	0.812	76%	0.755	S	S	*	*			trans	-53.7	114.2	170.7	-121.1	89.3	0	0	0	104.7	P620 T624	P620-L622 VanDerWaalsContact C-N 3.35Å; P620-L622 PolarHBondContact O-N 3.28Å; L622-T624 PolarHBondContact O-N 2.91Å
623	A	36.1	Very low	43.4	Very low	85 Å²	85	138.2 Å²	138.2	70%	0.702	75%	0.754	S	S	*	*			trans	-56.1	111.7	167.1	0	0	0	0	0	106.1	K621 A625	K621-A623 PolarHBondContact O-N 3Å; A623-A625 PolarHBondContact O-N 2.95Å
624	T	36.5	Very low	42	Very low	147 Å²	147	137.4 Å²	137.4	90%	0.902	76%	0.76	S	S	*	*			trans	-64.6	91.4	158.5	46.8	0	0	0	0	106.1	L622	L622-T624 PolarHBondContact O-N 2.91Å
625	A	34.3	Very low	40.7	Very low	89 Å²	89	138.9 Å²	138.9	74%	0.736	77%	0.769	S	S	*	*			trans	-112.3	102.2	168.6	0	0	0	0	0	107	A623	A623-A625 PolarHBondContact O-N 2.95Å
626	A	34.5	Very low	39.6	Very low	94 Å²	94	140.3 Å²	140.3	78%	0.777	78%	0.784	S	S	*	*			trans	163.3	71.9	147.7	0	0	0	0	0	110
627	E	34.3	Very low	38.9	Very low	197 Å²	197	136.2 Å²	136.2	92%	0.921	78%	0.783	S	S	*	*			trans	-140.7	73.5	147.1	-74.6	-168.5	174.7	0	0	106.3
628	D	34.9	Very low	38.4	Very low	152 Å²	152	136.3 Å²	136.3	81%	0.813	78%	0.784	S	S	*	*			trans	-99.6	150.9	155.6	-77.3	-37	0	0	0	107.1
629	D	37.9	Very low	38.2	Very low	157 Å²	157	142.9 Å²	142.9	84%	0.84	82%	0.816	S	S	*	*			trans	94.4	81.7	174.6	-54.6	-23.8	0	0	0	116.6
630	E	38	Very low	38	Very low	171 Å²	171	139.6 Å²	139.6	80%	0.799	82%	0.818	S	S	*	*				174.3	115.3	84.1	-99.1	-167.9	166.2	0	0	111
631	E	32.2	Very low	37.8	Very low	192 Å²	192	141.6 Å²	141.6	90%	0.897	83%	0.826	S	S	*	*			trans	-89.9	104.1	164.1	-157.5	-178.1	-150.1	0	0	107.6
632	I	40.3	Very low	37.5	Very low	145 Å²	145	137.8 Å²	137.8	74%	0.744	82%	0.821	S	S	*	*			trans	-119.2	101.8	159.4	-65.5	-178.6	0	0	0	108.3
633	S	37.3	Very low	37.4	Very low	87 Å²	87	136.8 Å²	136.8	61%	0.608	82%	0.822	S	S	*	*			trans	-82.2	139	168.3	88.6	0	0	0	0	110.8
634	T	34.1	Very low	37.5	Very low	117 Å²	117	140 Å²	140	72%	0.718	83%	0.829	S	S	*	*			trans	83.2	129.1	146.8	66	0	0	0	0	121.7
635	T	35.7	Very low	37.6	Very low	129 Å²	129	139.5 Å²	139.5	79%	0.791	83%	0.825	S	S	*	*			trans	89.4	115.3	137.4	38.1	0	0	0	0	121.4
636	S	40.2	Very low	37.8	Very low	128 Å²	128	143.1 Å²	143.1	90%	0.895	83%	0.831	S	S	*	*			trans	118.5	128	153.2	68.5	0	0	0	0	110.8
637	G	40.9	Very low	38.1	Very low	68 Å²	68	146.9 Å²	146.9	70%	0.701	84%	0.835	S	S	*	*			cis	145.7	130.7	14.3	0	0	0	0	0	106.8
638	N	44.2	Very low	38.4	Very low	154 Å²	154	142.8 Å²	142.8	82%	0.824	83%	0.828	S	S	*	*			trans	80.3	128	160	-72.7	-5.3	0	0	0	122.3
639	T	44.9	Very low	38.7	Very low	213 Å²	213	141.9 Å²	141.9	100%	1.307	83%	0.829	S	S	*	*			trans	76.5	0	141.8	49	0	0	0	0	119.8

Retrieved 639 of 639 residues in 246.4 ms (Link to these results)

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