A0A077YYC3_TRITR Loading...

Small ribosomal subunit protein mS40

AlphaFold DB , UniProt , Accession A0A077YYC3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 238 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.7	Very low	41.9	Very low	233 Å²	233	162.5 Å²	162.5	100%	1.148	84%	0.842	S	S	*	*				0	117.1	0	-74.9	177.1	174.4	0	0	108	F3	M1-F3 PolarHBondContact O-N 3.15Å
2	V	40.1	Very low	41.1	Very low	142 Å²	142	159.8 Å²	159.8	86%	0.861	85%	0.845	S	S	*	*			trans	-82.9	109	-170.6	179.9	0	0	0	0	109.4	K4	V2-K4 PolarHBondContact O-N 3.05Å
3	F	41.6	Very low	40.2	Very low	197 Å²	197	155 Å²	155	86%	0.864	83%	0.833	S	S	*	*			trans	-75.9	110.2	169.1	-84	-89.6	0	0	0	109.1	M1	M1-F3 PolarHBondContact O-N 3.15Å
4	K	46.2	Very low	39.8	Very low	191 Å²	191	152.7 Å²	152.7	83%	0.83	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-69.9	130.4	168	-81.1	179.5	173.3	176.7	0	109.2	V2 C6	V2-K4 PolarHBondContact O-N 3.05Å; K4-C6 PolarHBondContact O-N 3.35Å
5	P	42.1	Very low	39	Very low	125 Å²	125	150.9 Å²	150.9	81%	0.812	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-74.5	120.2	172.7	29.7	-30.4	0	0	0	109.2	S7	P5-S7 PolarHBondContact O-N 3.24Å
6	C	44.4	Very low	38.6	Very low	123 Å²	123	147.9 Å²	147.9	83%	0.831	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-65.8	118.4	165.6	-102.8	0	0	0	0	108.6	K4 V8	K4-C6 PolarHBondContact O-N 3.35Å; C6-V8 PolarHBondContact O-N 3.01Å; C6-V8 VanDerWaalsContact O-N 3.09Å
7	S	37.3	Very low	38.1	Very low	98 Å²	98	148.4 Å²	148.4	69%	0.685	81%	0.807	S	S	*	*			trans	-59.1	105.9	176.2	176.8	0	0	0	0	111.2	P5 R9	P5-S7 PolarHBondContact O-N 3.24Å; S7-R9 PolarHBondContact O-N 3.39Å
8	V	45.8	Very low	37.6	Very low	124 Å²	124	150.2 Å²	150.2	75%	0.752	81%	0.809	S	S	*	*			trans	-92.2	75.2	167.5	-169.8	0	0	0	0	107.4	C6	C6-V8 PolarHBondContact O-N 3.01Å; C6-V8 VanDerWaalsContact O-N 3.09Å
9	R	41.9	Very low	37.1	Very low	213 Å²	213	151 Å²	151	80%	0.804	81%	0.807	S	S	*	*			trans	-116.4	13.7	-178.2	-79.1	-169	177.1	-172.1	0.2	115.7	S7	S7-R9 PolarHBondContact O-N 3.39Å
10	H	37.4	Very low	36.6	Very low	179 Å²	179	148 Å²	148	83%	0.829	79%	0.794	S	S	*	*	S	Bend	trans	-133.7	21.3	-175.7	-85.2	-50.3	0	0	0	117.5
11	L	40.6	Very low	36.4	Very low	162 Å²	162	148.7 Å²	148.7	85%	0.848	79%	0.793	S	S	*	*	S	Bend	trans	-117.7	4.8	-178.6	-78	158.6	0	0	0	115
12	C	32.2	Very low	35.8	Very low	130 Å²	130	142 Å²	142	88%	0.878	77%	0.769	S	S	*	*	S	Bend	trans	-140.5	69.5	-175.6	-154.5	0	0	0	0	111.3
13	S	29.6	Very low	35.5	Very low	98 Å²	98	144 Å²	144	69%	0.685	77%	0.769	S	S	*	*			trans	-173.9	84.4	163.6	55.8	0	0	0	0	109.6
14	T	34.3	Very low	35.5	Very low	123 Å²	123	140.9 Å²	140.9	76%	0.755	76%	0.761	S	S	*	*			trans	-172.9	111.6	138.3	41.3	0	0	0	0	107.8	T16	T14-T16 PolarHBondContact O-N 3.01Å
15	T	28.2	Very low	35.7	Very low	126 Å²	126	135.6 Å²	135.6	77%	0.773	75%	0.753	S	S	*	*			trans	-49.4	108.7	147.4	41.3	0	0	0	0	108.5
16	T	31.7	Very low	36.4	Very low	102 Å²	102	134.1 Å²	134.1	63%	0.626	75%	0.751	S	S	*	*			trans	-123.6	87.3	150.9	41.8	0	0	0	0	103.4	T14	T14-T16 PolarHBondContact O-N 3.01Å
17	E	31.1	Very low	37.5	Very low	157 Å²	157	132.5 Å²	132.5	73%	0.734	73%	0.734	S	S	*	*				32.6	94.3	83.7	-67.5	-176	-173.2	0	0	109.3	Q19	E17-Q19 VanDerWaalsContact C-N 3.31Å; E17-Q19 PolarHBondContact O-N 3.26Å
18	E	29	Very low	39.3	Very low	181 Å²	181	132.9 Å²	132.9	85%	0.846	73%	0.728	S	S	*	*			trans	27.6	63.2	134.8	-62.9	177.3	160.5	0	0	115.5	T20	E18-T20 PolarHBondContact O-N 3.14Å; E18-T20 VanDerWaalsContact O-N 3.14Å
19	Q	28.1	Very low	40.9	Very low	165 Å²	165	131.9 Å²	131.9	77%	0.771	72%	0.724	S	S	*	*			trans	-84.7	58.9	153.4	-72	-171.7	-12.8	0	0	108.3	E17	E17-Q19 VanDerWaalsContact C-N 3.31Å; E17-Q19 PolarHBondContact O-N 3.26Å
20	T	26.8	Very low	42.6	Very low	91 Å²	91	128.6 Å²	128.6	56%	0.558	72%	0.722	S	S	*	*			trans	-71.8	119.5	144.6	38.5	0	0	0	0	106.4	E18	E18-T20 PolarHBondContact O-N 3.14Å; E18-T20 VanDerWaalsContact O-N 3.14Å
21	Q	31.6	Very low	44.7	Very low	163 Å²	163	124.3 Å²	124.3	76%	0.762	71%	0.706	S	S	*	*	S	Bend	trans	63.3	70.2	149	-55.7	163.9	-0.6	0	0	115.4
22	S	31.7	Very low	46.7	Very low	92 Å²	92	118.7 Å²	118.7	64%	0.643	68%	0.676	S	S	*	*			trans	-158	60.8	162.3	69.3	0	0	0	0	112.2
23	E	34.3	Very low	49	Very low	185 Å²	185	112.6 Å²	112.6	86%	0.864	64%	0.635	S	S	*	*			trans	-164.4	53.4	152.5	-105.5	177.5	-142.9	0	0	107	A25	E23-A25 PolarHBondContact O-N 3.4Å
24	D	42.2	Very low	51.6	Low	130 Å²	130	109.7 Å²	109.7	70%	0.695	61%	0.613	S	S	*	*			trans	-75.9	67.7	177.5	-62.5	-38.9	0	0	0	110.1	A26	D24-A26 PolarHBondContact O-N 2.77Å
25	A	49.7	Very low	53.9	Low	81 Å²	81	106.4 Å²	106.4	67%	0.669	59%	0.591	S	S	*	*			trans	-66	109.1	144.6	0	0	0	0	0	104.7	E23 I27	E23-A25 PolarHBondContact O-N 3.4Å; A25-I27 WeakPolarHBondContact O-CG1 3.38Å; A25-I27 PolarHBondContact O-N 2.82Å
26	A	57.8	Low	56.5	Low	93 Å²	93	108.4 Å²	108.4	77%	0.769	60%	0.596	S	S	*	*			trans	-42.1	99.2	-174.3	0	0	0	0	0	110.9	D24 D28	D24-A26 PolarHBondContact O-N 2.77Å; A26-D28 PolarHBondContact O-N 2.82Å
27	I	67	Low	58.9	Low	90 Å²	90	105.7 Å²	105.7	46%	0.462	58%	0.579	S	S	.	*			trans	-72.3	115.9	-179.2	-60.1	165.9	0	0	0	104.9	A25 D31 L32 L44	A25-I27 WeakPolarHBondContact O-CG1 3.38Å; A25-I27 PolarHBondContact O-N 2.82Å; I27-D31 HydrophobicContact CG2-CB 4.39Å; I27-L32 HydrophobicContact CG2-CD2 3.85Å; I27-L32 HydrophobicContact CG2-CG 4.23Å; I27-L44 HydrophobicContact CD1-CD2 3.69Å; I27-L44 HydrophobicContact CG2-CD2 4.2Å
28	D	75	Confident	61.3	Low	106 Å²	106	102.3 Å²	102.3	57%	0.567	58%	0.578	S	S	*	*			trans	-53.7	127.8	177.9	-77.2	-38.2	0	0	0	109.2	A26 N30 D31	A26-D28 PolarHBondContact O-N 2.82Å; D28-N30 PolarHBondContact O-N 2.68Å; D28-D31 WeakPolarHBondContact O-CB 3.29Å; D28-D31 PolarHBondContact O-N 3.05Å
29	P	77.9	Confident	64	Low	102 Å²	102	101.3 Å²	101.3	66%	0.662	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-54.7	-24.1	-177.6	-28.6	34.6	0	0	0	113.9	D31 L32	P29-D31 VanDerWaalsContact C-N 3.35Å; P29-L32 PolarHBondContact O-N 3.03Å
30	N	79	Confident	66.8	Low	145 Å²	145	94.3 Å²	94.3	78%	0.775	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-73.8	-22.3	177.5	-67.1	-24.1	0	0	0	113.7	D28 L32 L43	D28-N30 PolarHBondContact O-N 2.68Å; N30-L32 VanDerWaalsContact C-N 3.28Å; N30-L43 WeakPolarHBondContact O-CD2 3.41Å
31	D	81.4	Confident	69.8	Low	89 Å²	89	96.3 Å²	96.3	48%	0.476	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-82.1	-9.1	177	-80.3	-6.6	0	0	0	112.4	I27 D28 P29 L43 L44	I27-D31 HydrophobicContact CG2-CB 4.39Å; D28-D31 WeakPolarHBondContact O-CB 3.29Å; D28-D31 PolarHBondContact O-N 3.05Å; P29-D31 VanDerWaalsContact C-N 3.35Å; D31-L43 CarbonylContact O-C 3.56Å; D31-L43 WeakPolarHBondContact O-CA 3.4Å; D31-L43 WeakPolarHBondContact O-CB 3.48Å; D31-L44 PolarHBondContact O-N 3.24Å
32	L	82.7	Confident	72.6	Confident	44 Å²	44	90.5 Å²	90.5	23%	0.23	52%	0.522	C	S	.	.	B	Isolated β-bridge	trans	-82.5	123.5	177	-61.8	176.1	0	0	0	111	I27 P29 N30 T34 L43 L44	I27-L32 HydrophobicContact CG2-CD2 3.85Å; I27-L32 HydrophobicContact CG2-CG 4.23Å; P29-L32 PolarHBondContact O-N 3.03Å; N30-L32 VanDerWaalsContact C-N 3.28Å; L32-T34 HydrophobicContact CB-CG2 3.96Å; L32-T34 PolarHBondContact O-N 3.4Å; L32-L43 WeakPolarHBondContact O-CD2 3.46Å; L32-L44 HydrophobicContact CD2-CB 4.26Å; L32-L44 HydrophobicContact CD2-CD2 3.99Å
33	G	79.3	Confident	75.4	Confident	1 Å²	1	87.6 Å²	87.6	1%	0.01	50%	0.5	C	S	.	.			trans	-81.5	58	176.7	0	0	0	0	0	112	L44 F100	G33-L44 PolarHBondContact N-O 3.14Å; G33-F100 WeakPolarHBondContact O-CE2 3.44Å
34	T	85.2	Confident	78.1	Confident	38 Å²	38	80.9 Å²	80.9	23%	0.233	47%	0.469	C	S	.	.			trans	-67	171.9	-179.1	61.2	0	0	0	0	112	L32 L36 V37 R40 E112	L32-T34 HydrophobicContact CB-CG2 3.96Å; L32-T34 PolarHBondContact O-N 3.4Å; T34-L36 PolarHBondContact O-N 2.9Å; T34-L36 VanDerWaalsContact O-N 3.11Å; T34-V37 PolarHBondContact O-N 2.88Å; T34-V37 VanDerWaalsContact O-N 3.1Å; T34-R40 PolarHBondContact O-NE 2.84Å; T34-E112 WeakPolarHBondContact CA-OE2 3.42Å
35	N	81.5	Confident	80.5	Confident	54 Å²	54	76.2 Å²	76.2	29%	0.289	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-27.9	-178.4	-82.8	-39.3	0	0	0	114.3	V37 R40 R110 D111	N35-V37 VanDerWaalsContact C-N 3.32Å; N35-V37 PolarHBondContact O-N 3.43Å; N35-R40 PolarHBondContact O-NH2 3.46Å; N35-R110 PolarHBondContact OD1-O 2.98Å; N35-D111 PolarHBondContact ND2-OD1 3.22Å
36	L	82.8	Confident	82.4	Confident	168 Å²	168	73.4 Å²	73.4	88%	0.88	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-23.4	-179.8	-57.9	175.8	0	0	0	113.5	T34 A38	T34-L36 PolarHBondContact O-N 2.9Å; T34-L36 VanDerWaalsContact O-N 3.11Å; L36-A38 PolarHBondContact O-N 2.89Å
37	V	83.2	Confident	83.8	Confident	44 Å²	44	76 Å²	76	27%	0.267	42%	0.416	S	S	.	.			trans	-83.9	119.7	-175	-176	0	0	0	0	110.6	T34 N35 K39 R40 L43	T34-V37 PolarHBondContact O-N 2.88Å; T34-V37 VanDerWaalsContact O-N 3.1Å; N35-V37 VanDerWaalsContact C-N 3.32Å; N35-V37 PolarHBondContact O-N 3.43Å; V37-K39 VanDerWaalsContact CG1-O 3.3Å; V37-K39 WeakPolarHBondContact CG1-O 3.38Å; V37-R40 HydrophobicContact CB-CG 4.29Å; V37-R40 HydrophobicContact CG1-CG 4.33Å; V37-R40 WeakPolarHBondContact O-CG 3.06Å; V37-R40 PolarHBondContact O-NE 3.25Å; V37-L43 HydrophobicContact CG1-CD2 4.24Å; V37-L43 HydrophobicContact CG2-CD2 4.49Å
38	A	81.3	Confident	85.1	Confident	87 Å²	87	74.4 Å²	74.4	72%	0.719	41%	0.407	S	S	*	.	S	Bend	trans	-68.8	-40	-179.4	0	0	0	0	0	113.5	L36	L36-A38 PolarHBondContact O-N 2.89Å
39	K	85.9	Confident	86.1	Confident	159 Å²	159	71.9 Å²	71.9	69%	0.691	40%	0.397	S	S	*	.			trans	-113.8	108.1	179.1	-69.6	179.9	-176.1	171.7	0	109.8	V37 L43	V37-K39 VanDerWaalsContact CG1-O 3.3Å; V37-K39 WeakPolarHBondContact CG1-O 3.38Å; K39-L43 WeakPolarHBondContact O-CD1 3.21Å
40	R	87.3	Confident	86.9	Confident	18 Å²	18	71.8 Å²	71.8	7%	0.068	38%	0.384	C	S	.	.			trans	-99.2	-8.3	-170.8	-59.3	-175.3	-163.4	167.4	1	115.1	T34 N35 V37 G42 L43 F100 R110	T34-R40 PolarHBondContact O-NE 2.84Å; N35-R40 PolarHBondContact O-NH2 3.46Å; V37-R40 HydrophobicContact CB-CG 4.29Å; V37-R40 HydrophobicContact CG1-CG 4.33Å; V37-R40 WeakPolarHBondContact O-CG 3.06Å; V37-R40 PolarHBondContact O-NE 3.25Å; R40-G42 PolarHBondContact O-N 2.98Å; R40-L43 WeakPolarHBondContact O-CB 3.08Å; R40-L43 WeakPolarHBondContact O-CD1 3.2Å; R40-L43 PolarHBondContact O-N 3.48Å; R40-F100 HydrophobicContact CB-CB 4.34Å; R40-F100 HydrophobicContact CB-CD2 3.65Å; R40-F100 HydrophobicContact CB-CE2 4.08Å; R40-F100 HydrophobicContact CB-CG 4Å; R40-F100 VanDerWaalsContact O-CB 3.23Å; R40-F100 WeakPolarHBondContact O-CB 3.47Å; R40-R110 VanDerWaalsContact NH1-C 3.27Å; R40-R110 VanDerWaalsContact NH1-CA 3.33Å; R40-R110 PolarHBondContact NH1-O 3.1Å
41	K	89.9	Confident	87.7	Confident	133 Å²	133	67.4 Å²	67.4	58%	0.578	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	127.1	-175.8	-178.8	-175.3	-179.9	-167.1	0	110.5	L43 F100 N103	K41-L43 VanDerWaalsContact C-N 3.31Å; K41-F100 WeakPolarHBondContact CA-O 3.41Å; K41-N103 WeakPolarHBondContact CB-OD1 3.41Å
42	G	89.3	Confident	88.4	Confident	41 Å²	41	65.6 Å²	65.6	42%	0.423	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.7	-22.8	-179.2	0	0	0	0	0	114.3	R40 R99 F100	R40-G42 PolarHBondContact O-N 2.98Å; G42-R99 WeakPolarHBondContact O-CD 3.36Å; G42-F100 PolarHBondContact N-O 3.02Å
43	L	90.8	Very high	89.1	Confident	32 Å²	32	63.5 Å²	63.5	17%	0.168	35%	0.346	C	S	.	.	S	Bend	trans	-76.2	153.7	177.5	-68.9	92.7	0	0	0	111.2	N30 D31 L32 V37 K39 R40 K41 R99 F100	N30-L43 WeakPolarHBondContact O-CD2 3.41Å; D31-L43 CarbonylContact O-C 3.56Å; D31-L43 WeakPolarHBondContact O-CA 3.4Å; D31-L43 WeakPolarHBondContact O-CB 3.48Å; L32-L43 WeakPolarHBondContact O-CD2 3.46Å; V37-L43 HydrophobicContact CG1-CD2 4.24Å; V37-L43 HydrophobicContact CG2-CD2 4.49Å; K39-L43 WeakPolarHBondContact O-CD1 3.21Å; R40-L43 WeakPolarHBondContact O-CB 3.08Å; R40-L43 WeakPolarHBondContact O-CD1 3.2Å; R40-L43 PolarHBondContact O-N 3.48Å; K41-L43 VanDerWaalsContact C-N 3.31Å; L43-R99 CarbonylContact O-C 3.59Å; L43-R99 VanDerWaalsContact O-CA 3.25Å; L43-R99 WeakPolarHBondContact O-CA 3.22Å; L43-F100 WeakPolarHBondContact O-CD2 3.47Å; L43-F100 PolarHBondContact O-N 3.09Å
44	L	91.7	Very high	89.9	Confident	43 Å²	43	65.3 Å²	65.3	23%	0.225	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-76.1	135.2	178.1	-170.1	74.1	0	0	0	110.2	I27 D31 L32 G33 P46 R99	I27-L44 HydrophobicContact CD1-CD2 3.69Å; I27-L44 HydrophobicContact CG2-CD2 4.2Å; D31-L44 PolarHBondContact O-N 3.24Å; L32-L44 HydrophobicContact CD2-CB 4.26Å; L32-L44 HydrophobicContact CD2-CD2 3.99Å; G33-L44 PolarHBondContact N-O 3.14Å; L44-P46 WeakPolarHBondContact O-CD 3.12Å; L44-R99 HydrophobicContact CD1-CG 4.21Å
45	R	91	Very high	90.5	Very high	33 Å²	33	73.2 Å²	73.2	13%	0.125	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-82.3	116.2	171.9	178.4	-179.1	173.5	-175.1	8.1	108.9	V94 G98 F100 I108 C109	R45-V94 HydrophobicContact CB-CG1 4.43Å; R45-G98 WeakPolarHBondContact CB-O 3.32Å; R45-G98 PolarHBondContact N-O 3.09Å; R45-F100 HydrophobicContact CB-CD2 4.43Å; R45-F100 HydrophobicContact CB-CE1 4.17Å; R45-F100 HydrophobicContact CB-CE2 3.76Å; R45-F100 HydrophobicContact CB-CZ 3.62Å; R45-F100 HydrophobicContact CG-CE1 4.28Å; R45-F100 HydrophobicContact CG-CE2 4.29Å; R45-F100 HydrophobicContact CG-CZ 3.71Å; R45-I108 PolarHBondContact NH2-O 3.48Å; R45-C109 PolarHBondContact NH1-SG 2.74Å; R45-C109 VanDerWaalsContact NH1-SG 3.44Å
46	P	89.7	Confident	91.3	Very high	21 Å²	21	71.8 Å²	71.8	14%	0.136	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-65.1	141.5	170.4	26.4	-31.6	0	0	0	110.5	L44 E112	L44-P46 WeakPolarHBondContact O-CD 3.12Å; P46-E112 HydrophobicContact CG-CB 3.83Å; P46-E112 HydrophobicContact CG-CG 4.42Å; P46-E112 WeakPolarHBondContact CG-OE2 3.45Å
47	I	88.6	Confident	91.9	Very high	147 Å²	147	64.4 Å²	64.4	75%	0.754	33%	0.334	S	S	*	.			trans	-115.5	122.5	-179.1	-58.8	175	0	0	0	107.5
48	H	92.8	Very high	92.5	Very high	57 Å²	57	66.2 Å²	66.2	26%	0.264	34%	0.342	S	S	.	.			trans	-101.2	164.5	174.9	-65	-64.5	0	0	0	111.2	T52 Y113 V115	H48-T52 HydrophobicContact CB-CG2 4.24Å; H48-Y113 AromaticContact CD2-CD1 3.49Å; H48-Y113 VanDerWaalsContact CD2-CD1 3.49Å; H48-Y113 WeakPolarHBondContact CD2-CD1 3.5Å; H48-Y113 AromaticContact CD2-CE1 3.68Å; H48-Y113 AromaticContact CE1-CE1 3.89Å; H48-Y113 AromaticContact NE2-CD1 3.77Å; H48-Y113 AromaticContact NE2-CE1 3.44Å; H48-Y113 WeakPolarHBondContact NE2-CE1 3.4Å; H48-V115 HydrophobicContact CB-CG2 4.33Å; H48-V115 WeakPolarHBondContact O-CG2 3.43Å
49	S	95.9	Very high	93.2	Very high	53 Å²	53	63.6 Å²	63.6	37%	0.371	32%	0.319	S	S	.	.			trans	-72.4	155.7	172	68.3	0	0	0	0	111.3	S51 T52 S53	S49-S51 PolarHBondContact O-N 3.35Å; S49-S51 PolarHBondContact OG-OG 3.11Å; S49-T52 WeakPolarHBondContact O-CB 3.4Å; S49-T52 PolarHBondContact O-N 3.24Å; S49-T52 VanDerWaalsContact O-N 3.11Å; S49-T52 PolarHBondContact OG-N 3.15Å; S49-T52 PolarHBondContact OG-OG1 3.5Å; S49-S53 PolarHBondContact O-N 3.25Å
50	W	95.1	Very high	93.8	Very high	100 Å²	100	61 Å²	61	38%	0.379	31%	0.313	S	S	.	.	H	α-helix	trans	-57	-35.3	173.3	72.6	-93.1	0	0	0	112.6	T52 S53 V54 D117 R119	W50-T52 VanDerWaalsContact C-N 3.31Å; W50-T52 PolarHBondContact O-N 3.07Å; W50-S53 VanDerWaalsContact O-CB 3.31Å; W50-S53 WeakPolarHBondContact O-CB 3.49Å; W50-S53 PolarHBondContact O-N 3.15Å; W50-V54 HydrophobicContact CE3-CG2 4.12Å; W50-V54 HydrophobicContact CZ3-CG2 4.34Å; W50-V54 WeakPolarHBondContact O-CG2 3.47Å; W50-V54 PolarHBondContact O-N 3.27Å; W50-D117 HydrophobicContact CB-CB 4.01Å; W50-D117 WeakPolarHBondContact CB-OD2 3.23Å; W50-R119 HydrophobicContact CD2-CB 4.43Å; W50-R119 HydrophobicContact CE3-CB 3.87Å; W50-R119 HydrophobicContact CZ3-CB 4.01Å
51	S	96.4	Very high	94.2	Very high	54 Å²	54	63.7 Å²	63.7	38%	0.378	33%	0.331	S	S	.	.	H	α-helix	trans	-66.2	-34.5	178.8	57.7	0	0	0	0	112.2	S49 R55	S49-S51 PolarHBondContact O-N 3.35Å; S49-S51 PolarHBondContact OG-OG 3.11Å; S51-R55 PolarHBondContact O-N 2.77Å
52	T	96.8	Very high	94.5	Very high	51 Å²	51	58.4 Å²	58.4	31%	0.313	31%	0.308	S	S	.	.	H	α-helix	trans	-67.9	-40.9	174.3	-53	0	0	0	0	110.6	H48 S49 W50 V54 R55 Y56 Y113	H48-T52 HydrophobicContact CB-CG2 4.24Å; S49-T52 WeakPolarHBondContact O-CB 3.4Å; S49-T52 PolarHBondContact O-N 3.24Å; S49-T52 VanDerWaalsContact O-N 3.11Å; S49-T52 PolarHBondContact OG-N 3.15Å; S49-T52 PolarHBondContact OG-OG1 3.5Å; W50-T52 VanDerWaalsContact C-N 3.31Å; W50-T52 PolarHBondContact O-N 3.07Å; T52-V54 PolarHBondContact O-N 2.94Å; T52-R55 PolarHBondContact O-N 2.97Å; T52-Y56 WeakPolarHBondContact O-CB 3.48Å; T52-Y56 PolarHBondContact O-N 2.84Å; T52-Y113 HydrophobicContact CG2-CD1 4.26Å
53	S	96.3	Very high	94.8	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-58.8	-45.2	174.9	-178.1	0	0	0	0	112.1	S49 W50 R55 Y56 L57 Y113 V115 N120	S49-S53 PolarHBondContact O-N 3.25Å; W50-S53 VanDerWaalsContact O-CB 3.31Å; W50-S53 WeakPolarHBondContact O-CB 3.49Å; W50-S53 PolarHBondContact O-N 3.15Å; S53-R55 PolarHBondContact O-N 3.44Å; S53-Y56 WeakPolarHBondContact O-CB 3.25Å; S53-Y56 PolarHBondContact O-N 3.35Å; S53-L57 WeakPolarHBondContact O-CG 3.48Å; S53-L57 PolarHBondContact O-N 3.24Å; S53-Y113 VanDerWaalsContact CA-O 3.28Å; S53-Y113 WeakPolarHBondContact CA-O 3.36Å; S53-Y113 WeakPolarHBondContact CB-O 3.47Å; S53-Y113 PolarHBondContact OG-O 2.91Å; S53-V115 PolarHBondContact OG-N 3.29Å; S53-V115 PolarHBondContact OG-O 3.32Å; S53-N120 PolarHBondContact OG-ND2 2.91Å
54	V	97	Very high	95.1	Very high	39 Å²	39	68.3 Å²	68.3	24%	0.236	34%	0.341	C	S	.	.	H	α-helix	trans	-61.4	-45	177	174.7	0	0	0	0	111.3	W50 T52 Y56 L57 D58 N120	W50-V54 HydrophobicContact CE3-CG2 4.12Å; W50-V54 HydrophobicContact CZ3-CG2 4.34Å; W50-V54 WeakPolarHBondContact O-CG2 3.47Å; W50-V54 PolarHBondContact O-N 3.27Å; T52-V54 PolarHBondContact O-N 2.94Å; V54-Y56 VanDerWaalsContact C-N 3.3Å; V54-Y56 PolarHBondContact O-N 3.29Å; V54-L57 PolarHBondContact O-N 3.01Å; V54-D58 PolarHBondContact O-N 3.16Å; V54-N120 HydrophobicContact CG2-CB 4.25Å
55	R	97.6	Very high	95.3	Very high	204 Å²	204	70 Å²	70	77%	0.77	35%	0.353	S	S	*	.	H	α-helix	trans	-61.9	-37.7	175	-74.7	178.9	155.2	-170.1	-6.1	112.6	S51 T52 S53 D58 S59	S51-R55 PolarHBondContact O-N 2.77Å; T52-R55 PolarHBondContact O-N 2.97Å; S53-R55 PolarHBondContact O-N 3.44Å; R55-D58 PolarHBondContact O-N 3.3Å; R55-S59 PolarHBondContact O-N 3.27Å
56	Y	96.8	Very high	95.5	Very high	24 Å²	24	69.1 Å²	69.1	9%	0.094	35%	0.35	C	S	.	.	H	α-helix	trans	-64.2	-43.8	178	174.3	-110.6	0	0	0	111.9	T52 S53 V54 D58 S59 T61 Y62 D111 Y113 L114	T52-Y56 WeakPolarHBondContact O-CB 3.48Å; T52-Y56 PolarHBondContact O-N 2.84Å; S53-Y56 WeakPolarHBondContact O-CB 3.25Å; S53-Y56 PolarHBondContact O-N 3.35Å; V54-Y56 VanDerWaalsContact C-N 3.3Å; V54-Y56 PolarHBondContact O-N 3.29Å; Y56-D58 PolarHBondContact O-N 3.19Å; Y56-S59 VanDerWaalsContact O-CB 3.3Å; Y56-S59 WeakPolarHBondContact O-CB 3.4Å; Y56-S59 PolarHBondContact O-N 2.9Å; Y56-S59 PolarHBondContact O-OG 2.55Å; Y56-T61 WeakPolarHBondContact CE2-OG1 3.41Å; Y56-Y62 HydrophobicContact CD1-CD2 4.16Å; Y56-Y62 AromaticContact CE1-CD2 3.63Å; Y56-Y62 HydrophobicContact CE1-CD2 3.63Å; Y56-Y62 HydrophobicContact CE1-CG 4.43Å; Y56-Y62 WeakPolarHBondContact O-CB 3.48Å; Y56-D111 PolarHBondContact OH-OD2 3.3Å; Y56-Y113 HydrophobicContact CD1-CG 4.27Å; Y56-Y113 AromaticContact CD2-CD2 3.96Å; Y56-Y113 HydrophobicContact CD2-CD2 3.96Å; Y56-Y113 AromaticContact CD2-CG 3.96Å; Y56-Y113 HydrophobicContact CD2-CG 3.96Å; Y56-Y113 AromaticContact CE2-CD2 3.89Å; Y56-Y113 HydrophobicContact CE2-CD2 3.89Å; Y56-Y113 HydrophobicContact CE2-CG 4.32Å; Y56-Y113 VanDerWaalsContact CG-CB 3.45Å; Y56-Y113 HydrophobicContact CG-CD2 4.34Å; Y56-Y113 AromaticContact CG-CG 3.94Å; Y56-Y113 HydrophobicContact CG-CG 3.94Å; Y56-L114 HydrophobicContact CD1-CD2 4.18Å; Y56-L114 HydrophobicContact CE1-CD2 4.07Å; Y56-L114 HydrophobicContact CE1-CG 4.49Å
57	L	96.1	Very high	95.7	Very high	12 Å²	12	70 Å²	70	6%	0.063	36%	0.362	C	S	.	.	H	α-helix	trans	-61.5	-29.7	177.8	-67	173.8	0	0	0	113.2	S53 V54 Y62 L114 N120 K122 L123	S53-L57 WeakPolarHBondContact O-CG 3.48Å; S53-L57 PolarHBondContact O-N 3.24Å; V54-L57 PolarHBondContact O-N 3.01Å; L57-Y62 HydrophobicContact CD2-CD1 4.4Å; L57-Y62 HydrophobicContact CD2-CD2 3.73Å; L57-Y62 HydrophobicContact CD2-CE1 4.13Å; L57-Y62 HydrophobicContact CD2-CE2 3.38Å; L57-Y62 HydrophobicContact CD2-CG 4.24Å; L57-Y62 WeakPolarHBondContact O-CD1 3.36Å; L57-L114 HydrophobicContact CD2-CD2 3.87Å; L57-N120 WeakPolarHBondContact CD1-OD1 3.29Å; L57-K122 HydrophobicContact CD1-CB 3.91Å; L57-L123 HydrophobicContact CD1-CB 3.97Å
58	D	96.4	Very high	95.9	Very high	82 Å²	82	71.5 Å²	71.5	44%	0.439	37%	0.372	S	S	.	.	H	α-helix	trans	-84.4	-14.2	176.9	-73.6	-27.8	0	0	0	113.8	V54 R55 Y56 K122	V54-D58 PolarHBondContact O-N 3.16Å; R55-D58 PolarHBondContact O-N 3.3Å; Y56-D58 PolarHBondContact O-N 3.19Å; D58-K122 IonicContact OD1-NZ 3.68Å; D58-K122 PolarHBondContact OD1-NZ 2.97Å; D58-K122 IonicContact OD2-NZ 2.55Å; D58-K122 PolarHBondContact OD2-NZ 3.05Å
59	S	96.7	Very high	96	Very high	33 Å²	33	71.2 Å²	71.2	23%	0.231	38%	0.376	C	S	.	.	S	Bend	trans	-72	153.6	-178.6	78.6	0	0	0	0	112.7	R55 Y56 T61 Y62 K63	R55-S59 PolarHBondContact O-N 3.27Å; Y56-S59 VanDerWaalsContact O-CB 3.3Å; Y56-S59 WeakPolarHBondContact O-CB 3.4Å; Y56-S59 PolarHBondContact O-N 2.9Å; Y56-S59 PolarHBondContact O-OG 2.55Å; S59-T61 PolarHBondContact O-N 2.91Å; S59-T61 PolarHBondContact OG-OG1 3.45Å; S59-Y62 PolarHBondContact O-N 3.48Å; S59-Y62 PolarHBondContact OG-N 3.26Å; S59-K63 PolarHBondContact O-N 3.04Å
60	D	97.4	Very high	96	Very high	104 Å²	104	73.3 Å²	73.3	56%	0.556	38%	0.376	S	S	*	.	H	α-helix	trans	-66.9	-24.5	175	-61.1	-35.3	0	0	0	112.4	Y62 K63 Q64	D60-Y62 VanDerWaalsContact C-N 3.32Å; D60-Y62 PolarHBondContact O-N 2.88Å; D60-K63 PolarHBondContact O-N 3.1Å; D60-K63 IonicContact OD1-NZ 3.04Å; D60-K63 PolarHBondContact OD1-NZ 3.08Å; D60-Q64 VanDerWaalsContact O-CG 3.29Å; D60-Q64 WeakPolarHBondContact O-CG 3.3Å; D60-Q64 PolarHBondContact O-N 2.91Å
61	T	95.8	Very high	96	Very high	75 Å²	75	68.6 Å²	68.6	46%	0.46	36%	0.358	S	S	.	.	H	α-helix	trans	-62.9	-39.5	176	68	0	0	0	0	111.8	Y56 S59 Q64 T65	Y56-T61 WeakPolarHBondContact CE2-OG1 3.41Å; S59-T61 PolarHBondContact O-N 2.91Å; S59-T61 PolarHBondContact OG-OG1 3.45Å; T61-Q64 PolarHBondContact O-N 3.48Å; T61-T65 VanDerWaalsContact O-CG2 3.31Å; T61-T65 WeakPolarHBondContact O-CG2 3.35Å; T61-T65 PolarHBondContact O-N 3.07Å; T61-T65 PolarHBondContact O-OG1 3.49Å; T61-T65 VanDerWaalsContact O-OG1 3.07Å
62	Y	96.2	Very high	96	Very high	22 Å²	22	66.9 Å²	66.9	9%	0.086	34%	0.344	C	S	.	.	H	α-helix	trans	-66.9	-41.1	176.2	176.6	-93.2	0	0	0	111.5	Y56 L57 S59 D60 Q64 T65 Y66 V71 L114 Q126	Y56-Y62 HydrophobicContact CD1-CD2 4.16Å; Y56-Y62 AromaticContact CE1-CD2 3.63Å; Y56-Y62 HydrophobicContact CE1-CD2 3.63Å; Y56-Y62 HydrophobicContact CE1-CG 4.43Å; Y56-Y62 WeakPolarHBondContact O-CB 3.48Å; L57-Y62 HydrophobicContact CD2-CD1 4.4Å; L57-Y62 HydrophobicContact CD2-CD2 3.73Å; L57-Y62 HydrophobicContact CD2-CE1 4.13Å; L57-Y62 HydrophobicContact CD2-CE2 3.38Å; L57-Y62 HydrophobicContact CD2-CG 4.24Å; L57-Y62 WeakPolarHBondContact O-CD1 3.36Å; S59-Y62 PolarHBondContact O-N 3.48Å; S59-Y62 PolarHBondContact OG-N 3.26Å; D60-Y62 VanDerWaalsContact C-N 3.32Å; D60-Y62 PolarHBondContact O-N 2.88Å; Y62-Q64 VanDerWaalsContact C-N 3.35Å; Y62-Q64 PolarHBondContact O-N 2.81Å; Y62-T65 WeakPolarHBondContact CA-OG1 3.1Å; Y62-T65 PolarHBondContact O-N 3.26Å; Y62-T65 PolarHBondContact O-OG1 2.83Å; Y62-Y66 AromaticContact CD2-CD2 3.36Å; Y62-Y66 HydrophobicContact CD2-CD2 3.36Å; Y62-Y66 AromaticContact CD2-CE2 3.69Å; Y62-Y66 HydrophobicContact CD2-CE2 3.69Å; Y62-Y66 HydrophobicContact CD2-CG 4.43Å; Y62-Y66 AromaticContact CE2-CD2 3.23Å; Y62-Y66 HydrophobicContact CE2-CD2 3.23Å; Y62-Y66 AromaticContact CE2-CE2 3.63Å; Y62-Y66 HydrophobicContact CE2-CE2 3.63Å; Y62-Y66 AromaticContact CE2-CG 3.98Å; Y62-Y66 HydrophobicContact CE2-CG 3.98Å; Y62-Y66 HydrophobicContact CG-CD2 4.14Å; Y62-Y66 AromaticContact CZ-CD2 3.91Å; Y62-Y66 PolarHBondContact O-N 3.49Å; Y62-V71 HydrophobicContact CE2-CG2 4Å; Y62-V71 WeakPolarHBondContact OH-CG2 3.48Å; Y62-L114 HydrophobicContact CE2-CD2 4.32Å; Y62-Q126 PolarHBondContact OH-NE2 3.2Å
63	K	96.3	Very high	95.9	Very high	117 Å²	117	68.1 Å²	68.1	51%	0.509	35%	0.346	S	S	.	.	H	α-helix	trans	-64	-39.2	175.7	-62.5	177	-170	159	0	111.9	S59 D60 G67	S59-K63 PolarHBondContact O-N 3.04Å; D60-K63 PolarHBondContact O-N 3.1Å; D60-K63 IonicContact OD1-NZ 3.04Å; D60-K63 PolarHBondContact OD1-NZ 3.08Å; K63-G67 WeakPolarHBondContact O-CA 3.44Å; K63-G67 PolarHBondContact O-N 3.3Å
64	Q	96.5	Very high	95.7	Very high	164 Å²	164	72.8 Å²	72.8	77%	0.766	37%	0.37	S	S	*	.	H	α-helix	trans	-68.4	-34.8	176.7	-72.1	174.1	12.9	0	0	112.6	D60 T61 Y62	D60-Q64 VanDerWaalsContact O-CG 3.29Å; D60-Q64 WeakPolarHBondContact O-CG 3.3Å; D60-Q64 PolarHBondContact O-N 2.91Å; T61-Q64 PolarHBondContact O-N 3.48Å; Y62-Q64 VanDerWaalsContact C-N 3.35Å; Y62-Q64 PolarHBondContact O-N 2.81Å
65	T	94.9	Very high	95.6	Very high	79 Å²	79	72.2 Å²	72.2	49%	0.485	37%	0.365	S	S	.	.	H	α-helix	trans	-82	-40.3	-177.2	53	0	0	0	0	113.7	T61 Y62	T61-T65 VanDerWaalsContact O-CG2 3.31Å; T61-T65 WeakPolarHBondContact O-CG2 3.35Å; T61-T65 PolarHBondContact O-N 3.07Å; T61-T65 PolarHBondContact O-OG1 3.49Å; T61-T65 VanDerWaalsContact O-OG1 3.07Å; Y62-T65 WeakPolarHBondContact CA-OG1 3.1Å; Y62-T65 PolarHBondContact O-N 3.26Å; Y62-T65 PolarHBondContact O-OG1 2.83Å
66	Y	96	Very high	95.3	Very high	13 Å²	13	73 Å²	73	5%	0.051	37%	0.368	C	S	.	.	H	α-helix	trans	-109.4	-22.9	-175.4	-62	-80.7	0	0	0	113.9	Y62 S69 V71 L74 D111	Y62-Y66 AromaticContact CD2-CD2 3.36Å; Y62-Y66 HydrophobicContact CD2-CD2 3.36Å; Y62-Y66 AromaticContact CD2-CE2 3.69Å; Y62-Y66 HydrophobicContact CD2-CE2 3.69Å; Y62-Y66 HydrophobicContact CD2-CG 4.43Å; Y62-Y66 AromaticContact CE2-CD2 3.23Å; Y62-Y66 HydrophobicContact CE2-CD2 3.23Å; Y62-Y66 AromaticContact CE2-CE2 3.63Å; Y62-Y66 HydrophobicContact CE2-CE2 3.63Å; Y62-Y66 AromaticContact CE2-CG 3.98Å; Y62-Y66 HydrophobicContact CE2-CG 3.98Å; Y62-Y66 HydrophobicContact CG-CD2 4.14Å; Y62-Y66 AromaticContact CZ-CD2 3.91Å; Y62-Y66 PolarHBondContact O-N 3.49Å; Y66-S69 WeakPolarHBondContact O-CB 3.44Å; Y66-S69 PolarHBondContact O-N 3.44Å; Y66-V71 HydrophobicContact CD1-CB 4.45Å; Y66-V71 HydrophobicContact CD1-CG2 4.19Å; Y66-V71 HydrophobicContact CE1-CB 4.21Å; Y66-V71 HydrophobicContact CE1-CG1 4.08Å; Y66-V71 HydrophobicContact CE1-CG2 4.07Å; Y66-V71 HydrophobicContact CG-CG2 4.49Å; Y66-L74 HydrophobicContact CD1-CD1 4.02Å; Y66-D111 PolarHBondContact OH-OD2 3.31Å
67	G	93.8	Very high	95	Very high	39 Å²	39	74.6 Å²	74.6	40%	0.402	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	-136.7	-174	0	0	0	0	0	111.7	K63 S69	K63-G67 WeakPolarHBondContact O-CA 3.44Å; K63-G67 PolarHBondContact O-N 3.3Å; G67-S69 VanDerWaalsContact C-N 3.32Å
68	D	93.7	Very high	94.7	Very high	180 Å²	180	80 Å²	80	96%	0.963	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-2.7	176.2	-56.9	-38.2	0	0	0	112.9
69	S	94.9	Very high	94.3	Very high	50 Å²	50	80.6 Å²	80.6	35%	0.35	40%	0.401	S	S	.	.	S	Bend	trans	-81.6	154.5	-177.3	-59.4	0	0	0	0	111.9	Y66 G67 E73	Y66-S69 WeakPolarHBondContact O-CB 3.44Å; Y66-S69 PolarHBondContact O-N 3.44Å; G67-S69 VanDerWaalsContact C-N 3.32Å; S69-E73 WeakPolarHBondContact CB-OE2 3.41Å
70	R	95.3	Very high	93.8	Very high	98 Å²	98	86.7 Å²	86.7	37%	0.37	42%	0.424	S	S	.	.			trans	-71.6	149.9	174.4	-57.6	175.4	-178.3	98.1	2	110.1	W72 E73 Q126	R70-W72 HydrophobicContact CB-CZ2 4.46Å; R70-W72 VanDerWaalsContact CD-CZ2 3.47Å; R70-W72 PolarHBondContact O-N 3.27Å; R70-E73 HydrophobicContact CB-CG 4Å; R70-E73 WeakPolarHBondContact CD-OE1 3.44Å; R70-E73 IonicContact CZ-OE1 2.69Å; R70-E73 PolarHBondContact N-OE2 3.48Å; R70-E73 IonicContact NE-OE1 2.72Å; R70-E73 IonicContact NH1-OE1 3.94Å; R70-E73 PolarHBondContact NH1-OE1 3.48Å; R70-E73 WeakPolarHBondContact O-CB 3.31Å; R70-E73 PolarHBondContact O-N 3.27Å; R70-Q126 HydrophobicContact CB-CB 4.42Å; R70-Q126 HydrophobicContact CG-CB 4.42Å
71	V	95.8	Very high	93	Very high	0 Å²	0	84 Å²	84	0%	0	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-37.2	-177	163	0	0	0	0	113.5	Y62 Y66 P107 L114 L123	Y62-V71 HydrophobicContact CE2-CG2 4Å; Y62-V71 WeakPolarHBondContact OH-CG2 3.48Å; Y66-V71 HydrophobicContact CD1-CB 4.45Å; Y66-V71 HydrophobicContact CD1-CG2 4.19Å; Y66-V71 HydrophobicContact CE1-CB 4.21Å; Y66-V71 HydrophobicContact CE1-CG1 4.08Å; Y66-V71 HydrophobicContact CE1-CG2 4.07Å; Y66-V71 HydrophobicContact CG-CG2 4.49Å; V71-P107 HydrophobicContact CG1-CB 3.61Å; V71-L114 HydrophobicContact CB-CD1 4.32Å; V71-L114 HydrophobicContact CG1-CD1 3.49Å; V71-L114 VanDerWaalsContact CG1-CD1 3.49Å; V71-L114 HydrophobicContact CG2-CD1 3.8Å; V71-L123 HydrophobicContact CG2-CD1 4.35Å
72	W	95.1	Very high	92.3	Very high	19 Å²	19	89.8 Å²	89.8	7%	0.072	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-13.2	-175.4	54.5	-96.3	0	0	0	114.4	R70 F75 P107 Q126 F127 V136 K140 C141	R70-W72 HydrophobicContact CB-CZ2 4.46Å; R70-W72 VanDerWaalsContact CD-CZ2 3.47Å; R70-W72 PolarHBondContact O-N 3.27Å; W72-F75 PolarHBondContact O-N 3.2Å; W72-P107 HydrophobicContact CB-CG 4.13Å; W72-Q126 PolarHBondContact NE1-O 3.01Å; W72-F127 AromaticContact CD1-CD1 3.84Å; W72-F127 AromaticContact CD1-CE1 3.43Å; W72-F127 VanDerWaalsContact CD1-CE1 3.43Å; W72-F127 HydrophobicContact CG-CE1 4.24Å; W72-V136 HydrophobicContact CZ2-CG1 4.3Å; W72-V136 HydrophobicContact CZ2-CG2 4.43Å; W72-K140 HydrophobicContact CH2-CG 4.28Å; W72-K140 HydrophobicContact CZ3-CG 4.06Å; W72-C141 HydrophobicContact CB-CB 4.5Å; W72-C141 WeakPolarHBondContact CB-O 3.28Å; W72-C141 HydrophobicContact CG-CB 4.3Å
73	E	94.7	Very high	91.5	Very high	77 Å²	77	97.2 Å²	97.2	36%	0.36	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-37.2	-177.7	-74.6	170.4	174.6	0	0	112.2	S69 R70 F75	S69-E73 WeakPolarHBondContact CB-OE2 3.41Å; R70-E73 HydrophobicContact CB-CG 4Å; R70-E73 WeakPolarHBondContact CD-OE1 3.44Å; R70-E73 IonicContact CZ-OE1 2.69Å; R70-E73 PolarHBondContact N-OE2 3.48Å; R70-E73 IonicContact NE-OE1 2.72Å; R70-E73 IonicContact NH1-OE1 3.94Å; R70-E73 PolarHBondContact NH1-OE1 3.48Å; R70-E73 WeakPolarHBondContact O-CB 3.31Å; R70-E73 PolarHBondContact O-N 3.27Å; E73-F75 PolarHBondContact O-N 3.32Å
74	L	92.6	Very high	90.5	Very high	97 Å²	97	95.3 Å²	95.3	51%	0.508	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-3.7	179.2	-60.9	-179.9	0	0	0	113.6	Y66	Y66-L74 HydrophobicContact CD1-CD1 4.02Å
75	F	94.3	Very high	89.6	Confident	28 Å²	28	94.5 Å²	94.5	12%	0.123	47%	0.47	C	S	.	.			trans	-104.7	130.6	-175	-179.7	-87	0	0	0	112.5	W72 E73 R77 P105 P107 S142	W72-F75 PolarHBondContact O-N 3.2Å; E73-F75 PolarHBondContact O-N 3.32Å; F75-R77 HydrophobicContact CE1-CB 4.14Å; F75-P105 WeakPolarHBondContact CE2-O 3.5Å; F75-P105 WeakPolarHBondContact CZ-O 3.27Å; F75-P107 HydrophobicContact CB-CG 3.48Å; F75-P107 VanDerWaalsContact CB-CG 3.48Å; F75-P107 HydrophobicContact CD1-CG 4.02Å; F75-P107 HydrophobicContact CD2-CG 4.11Å; F75-P107 HydrophobicContact CG-CG 3.6Å; F75-S142 WeakPolarHBondContact CD1-OG 3.5Å; F75-S142 WeakPolarHBondContact CE1-OG 3.44Å
76	R	92.2	Very high	89	Confident	221 Å²	221	93.5 Å²	93.5	83%	0.834	47%	0.465	S	S	*	.			trans	-117.1	126.4	175.1	-170.2	175.7	-179.7	-178.6	0.9	110.7
77	R	91	Very high	88.5	Confident	56 Å²	56	95.9 Å²	95.9	21%	0.211	48%	0.482	C	S	.	.			trans	-84.1	133.8	175.4	-176.4	-179.7	169.8	-161	2.2	111	F75 F79 P87 K88 T89	F75-R77 HydrophobicContact CE1-CB 4.14Å; R77-F79 HydrophobicContact CB-CD1 4.39Å; R77-F79 HydrophobicContact CG-CD1 4.33Å; R77-F79 VanDerWaalsContact O-CD1 3.32Å; R77-F79 WeakPolarHBondContact O-CD1 3.49Å; R77-P87 PolarHBondContact NH1-O 3.04Å; R77-K88 PolarHBondContact NH1-O 3.15Å; R77-K88 VanDerWaalsContact NH1-O 3.15Å; R77-K88 PolarHBondContact NH2-O 2.8Å; R77-T89 VanDerWaalsContact NH1-CA 3.29Å
78	N	89.3	Confident	88.4	Confident	126 Å²	126	101.4 Å²	101.4	67%	0.674	50%	0.495	S	S	*	.			trans	-78.5	120.1	170.3	-61.2	-22.3	0	0	0	110.2
79	F	87.9	Confident	88.4	Confident	94 Å²	94	93.4 Å²	93.4	41%	0.412	45%	0.453	S	S	.	.			trans	-150.4	168.3	170	61.4	-88.8	0	0	0	109.5	R77 G81 P86 P87	R77-F79 HydrophobicContact CB-CD1 4.39Å; R77-F79 HydrophobicContact CG-CD1 4.33Å; R77-F79 VanDerWaalsContact O-CD1 3.32Å; R77-F79 WeakPolarHBondContact O-CD1 3.49Å; F79-G81 WeakPolarHBondContact CE2-O 3.41Å; F79-G81 PolarHBondContact O-N 3.19Å; F79-P86 HydrophobicContact CE2-CB 4.17Å; F79-P86 HydrophobicContact CZ-CB 4.08Å; F79-P87 HydrophobicContact CB-CG 4.1Å
80	K	85.6	Confident	88.4	Confident	162 Å²	162	93.4 Å²	93.4	70%	0.704	45%	0.445	S	S	*	.	S	Bend	trans	-72	91.3	-173.2	-172.3	-174.1	175.6	-158.5	0	111.7	H84	K80-H84 WeakPolarHBondContact CE-NE2 3.46Å; K80-H84 PolarHBondContact NZ-NE2 3.04Å; K80-H84 PolarHBondContact O-CD2 2.64Å
81	G	82.1	Confident	88.4	Confident	47 Å²	47	96.3 Å²	96.3	49%	0.485	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	178.2	165.5	0	0	0	0	0	116.8	F79	F79-G81 WeakPolarHBondContact CE2-O 3.41Å; F79-G81 PolarHBondContact O-N 3.19Å
82	Q	81	Confident	88.3	Confident	197 Å²	197	97.9 Å²	97.9	92%	0.921	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-20.1	174.5	-69.8	174.7	-30.9	0	0	113.1	H84	Q82-H84 PolarHBondContact O-N 3.25Å; Q82-H84 VanDerWaalsContact O-N 3.14Å
83	M	78	Confident	88.3	Confident	177 Å²	177	97 Å²	97	87%	0.872	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-27.9	-179.2	-171.4	-168.8	178.5	0	0	112.4
84	H	74.9	Confident	88.3	Confident	78 Å²	78	94.1 Å²	94.1	36%	0.361	45%	0.45	S	S	.	.	S	Bend	trans	-102.6	135.4	176.1	-59.7	-59.2	0	0	0	109.8	K80 Q82	K80-H84 WeakPolarHBondContact CE-NE2 3.46Å; K80-H84 PolarHBondContact NZ-NE2 3.04Å; K80-H84 PolarHBondContact O-CD2 2.64Å; Q82-H84 PolarHBondContact O-N 3.25Å; Q82-H84 VanDerWaalsContact O-N 3.14Å
85	M	78.1	Confident	88.3	Confident	146 Å²	146	91.8 Å²	91.8	72%	0.719	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-50.4	133.3	169.6	-174.8	-168.2	-72.3	0	0	108.6	P87	M85-P87 VanDerWaalsContact O-N 3.08Å
86	P	82.5	Confident	88.1	Confident	59 Å²	59	96.7 Å²	96.7	38%	0.383	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-54.5	122.1	-177	19.9	-32.6	0	0	0	109.6	F79	F79-P86 HydrophobicContact CE2-CB 4.17Å; F79-P86 HydrophobicContact CZ-CB 4.08Å
87	P	86.7	Confident	88	Confident	63 Å²	63	92.4 Å²	92.4	41%	0.409	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-65.2	156	-176.6	27	-34.5	0	0	0	109.7	R77 F79 M85 T89	R77-P87 PolarHBondContact NH1-O 3.04Å; F79-P87 HydrophobicContact CB-CG 4.1Å; M85-P87 VanDerWaalsContact O-N 3.08Å; P87-T89 PolarHBondContact O-N 3.36Å
88	K	91.5	Very high	88	Confident	155 Å²	155	90.6 Å²	90.6	67%	0.674	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-47.5	145.9	169	-66.1	-176.7	-179.7	178.8	0	110.1	R77	R77-K88 PolarHBondContact NH1-O 3.15Å; R77-K88 VanDerWaalsContact NH1-O 3.15Å; R77-K88 PolarHBondContact NH2-O 2.8Å
89	T	93.5	Very high	88.2	Confident	11 Å²	11	91.2 Å²	91.2	7%	0.067	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-61	154.3	177	55.4	0	0	0	0	110.8	R77 P87 C138 V143 Q145	R77-T89 VanDerWaalsContact NH1-CA 3.29Å; P87-T89 PolarHBondContact O-N 3.36Å; T89-C138 WeakPolarHBondContact CG2-O 3.46Å; T89-C138 PolarHBondContact OG1-SG 2.93Å; T89-V143 WeakPolarHBondContact CB-O 3.29Å; T89-V143 WeakPolarHBondContact CG2-O 3.15Å; T89-V143 PolarHBondContact OG1-O 3.4Å; T89-Q145 PolarHBondContact O-NE2 3.01Å; T89-Q145 WeakPolarHBondContact OG1-CG 3.47Å
90	R	93.7	Very high	88.5	Confident	51 Å²	51	87 Å²	87	19%	0.192	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-58.1	144.3	176.4	63.7	-167.5	124.8	168.7	-4.7	110.1	C93 T102 F104 C144 Q145	R90-C93 VanDerWaalsContact CD-SG 3.51Å; R90-C93 VanDerWaalsContact CZ-SG 3.54Å; R90-C93 PolarHBondContact NE-SG 3.42Å; R90-T102 PolarHBondContact NH1-OG1 3.4Å; R90-F104 PolarHBondContact NH1-O 3.19Å; R90-F104 PolarHBondContact NH2-O 3.46Å; R90-C144 HydrophobicContact CG-CB 3.93Å; R90-C144 WeakPolarHBondContact O-CA 3.04Å; R90-C144 WeakPolarHBondContact O-CB 3.48Å; R90-Q145 PolarHBondContact O-N 2.82Å
91	Y	95.1	Very high	88.9	Confident	158 Å²	158	87.2 Å²	87.2	62%	0.62	44%	0.437	S	S	*	.	S	Bend	trans	-56.8	-55	-179.7	-179.5	-104.5	0	0	0	111.7	Q145 V146	Y91-Q145 PolarHBondContact O-N 3.17Å; Y91-V146 HydrophobicContact CD1-CG2 4.36Å; Y91-V146 HydrophobicContact CE1-CG2 4.01Å; Y91-V146 HydrophobicContact CE2-CG2 4.4Å; Y91-V146 WeakPolarHBondContact O-CG2 3.27Å; Y91-V146 PolarHBondContact O-N 3.02Å
92	N	95	Very high	89.3	Confident	34 Å²	34	86.6 Å²	86.6	18%	0.182	43%	0.425	C	S	.	.			trans	-145.3	147.1	178.3	-160.5	-7.8	0	0	0	112.1	V94 V146	N92-V94 PolarHBondContact ND2-O 3.17Å; N92-V94 PolarHBondContact OD1-N 2.88Å; N92-V94 VanDerWaalsContact OD1-N 3.14Å; N92-V94 PolarHBondContact OD1-O 3.36Å; N92-V146 HydrophobicContact CB-CB 4.44Å; N92-V146 HydrophobicContact CB-CG2 3.96Å
93	C	94.6	Very high	89.8	Confident	0 Å²	0	80.3 Å²	80.3	0%	0	40%	0.397	C	S	.	.	S	Bend	trans	-92.4	-27.2	174.6	-67.5	0	0	0	0	112.7	R90 R101 P105 C106 C109	R90-C93 VanDerWaalsContact CD-SG 3.51Å; R90-C93 VanDerWaalsContact CZ-SG 3.54Å; R90-C93 PolarHBondContact NE-SG 3.42Å; C93-R101 WeakPolarHBondContact O-CB 3.37Å; C93-R101 PolarHBondContact O-N 3.03Å; C93-P105 HydrophobicContact CB-CB 4.22Å; C93-C106 PolarHBondContact SG-N 3.18Å; C93-C106 VanDerWaalsContact SG-N 3.43Å; C93-C106 VanDerWaalsContact SG-SG 3.62Å; C93-C109 HydrophobicContact CB-CB 3.94Å
94	V	94.1	Very high	90.4	Very high	17 Å²	17	78.4 Å²	78.4	10%	0.103	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-117.4	138.3	-175.2	-173.3	0	0	0	0	107.9	R45 N92 G98 R99 F100 C109	R45-V94 HydrophobicContact CB-CG1 4.43Å; N92-V94 PolarHBondContact ND2-O 3.17Å; N92-V94 PolarHBondContact OD1-N 2.88Å; N92-V94 VanDerWaalsContact OD1-N 3.14Å; N92-V94 PolarHBondContact OD1-O 3.36Å; V94-G98 VanDerWaalsContact CG1-C 3.42Å; V94-G98 WeakPolarHBondContact CG1-O 3.29Å; V94-R99 CarbonylContact C-O 3.52Å; V94-R99 WeakPolarHBondContact CA-O 3.13Å; V94-F100 HydrophobicContact CG2-CD1 4.06Å; V94-F100 HydrophobicContact CG2-CE1 4.1Å; V94-C109 HydrophobicContact CG2-CB 4.34Å
95	T	93.1	Very high	91.4	Very high	47 Å²	47	74.8 Å²	74.8	29%	0.288	37%	0.368	S	S	.	.			trans	-72.4	163.7	174.7	56.9	0	0	0	0	110.5	N97 G98 R99 R101	T95-N97 PolarHBondContact O-N 3.06Å; T95-N97 VanDerWaalsContact O-N 3.17Å; T95-G98 PolarHBondContact O-N 3.18Å; T95-R99 PolarHBondContact N-O 2.91Å; T95-R99 PolarHBondContact OG1-N 3.29Å; T95-R99 PolarHBondContact OG1-O 3.13Å; T95-R99 VanDerWaalsContact OG1-O 3.13Å; T95-R101 HydrophobicContact CG2-CB 4.35Å
96	P	91.1	Very high	92.2	Very high	132 Å²	132	67.9 Å²	67.9	86%	0.857	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-31.3	171.3	-27	36.4	0	0	0	112.9	G98	P96-G98 PolarHBondContact O-N 3.18Å; P96-G98 VanDerWaalsContact O-N 3.16Å
97	N	90.1	Very high	92.7	Very high	131 Å²	131	65 Å²	65	70%	0.701	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	10.5	177.7	-50.3	9	0	0	0	113.6	T95 R99	T95-N97 PolarHBondContact O-N 3.06Å; T95-N97 VanDerWaalsContact O-N 3.17Å; N97-R99 VanDerWaalsContact C-N 3.3Å; N97-R99 PolarHBondContact O-N 3.42Å
98	G	91	Very high	93.2	Very high	17 Å²	17	62.1 Å²	62.1	18%	0.175	30%	0.296	C	S	.	.	S	Bend	trans	77.9	1.7	178.1	0	0	0	0	0	116	R45 V94 T95 P96	R45-G98 WeakPolarHBondContact CB-O 3.32Å; R45-G98 PolarHBondContact N-O 3.09Å; V94-G98 VanDerWaalsContact CG1-C 3.42Å; V94-G98 WeakPolarHBondContact CG1-O 3.29Å; T95-G98 PolarHBondContact O-N 3.18Å; P96-G98 PolarHBondContact O-N 3.18Å; P96-G98 VanDerWaalsContact O-N 3.16Å
99	R	93.1	Very high	93.3	Very high	139 Å²	139	54.7 Å²	54.7	53%	0.525	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-91.8	146.4	-177.9	-63.2	179.5	-178	-158.8	1.9	112.6	G42 L43 L44 V94 T95 N97 R101	G42-R99 WeakPolarHBondContact O-CD 3.36Å; L43-R99 CarbonylContact O-C 3.59Å; L43-R99 VanDerWaalsContact O-CA 3.25Å; L43-R99 WeakPolarHBondContact O-CA 3.22Å; L44-R99 HydrophobicContact CD1-CG 4.21Å; V94-R99 CarbonylContact C-O 3.52Å; V94-R99 WeakPolarHBondContact CA-O 3.13Å; T95-R99 PolarHBondContact N-O 2.91Å; T95-R99 PolarHBondContact OG1-N 3.29Å; T95-R99 PolarHBondContact OG1-O 3.13Å; T95-R99 VanDerWaalsContact OG1-O 3.13Å; N97-R99 VanDerWaalsContact C-N 3.3Å; N97-R99 PolarHBondContact O-N 3.42Å; R99-R101 PolarHBondContact O-N 3.29Å
100	F	94.4	Very high	93.2	Very high	5 Å²	5	58 Å²	58	2%	0.022	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-69.9	125.4	177	-70.6	-72.5	0	0	0	111.9	G33 R40 K41 G42 L43 R45 V94 P105 C109	G33-F100 WeakPolarHBondContact O-CE2 3.44Å; R40-F100 HydrophobicContact CB-CB 4.34Å; R40-F100 HydrophobicContact CB-CD2 3.65Å; R40-F100 HydrophobicContact CB-CE2 4.08Å; R40-F100 HydrophobicContact CB-CG 4Å; R40-F100 VanDerWaalsContact O-CB 3.23Å; R40-F100 WeakPolarHBondContact O-CB 3.47Å; K41-F100 WeakPolarHBondContact CA-O 3.41Å; G42-F100 PolarHBondContact N-O 3.02Å; L43-F100 WeakPolarHBondContact O-CD2 3.47Å; L43-F100 PolarHBondContact O-N 3.09Å; R45-F100 HydrophobicContact CB-CD2 4.43Å; R45-F100 HydrophobicContact CB-CE1 4.17Å; R45-F100 HydrophobicContact CB-CE2 3.76Å; R45-F100 HydrophobicContact CB-CZ 3.62Å; R45-F100 HydrophobicContact CG-CE1 4.28Å; R45-F100 HydrophobicContact CG-CE2 4.29Å; R45-F100 HydrophobicContact CG-CZ 3.71Å; V94-F100 HydrophobicContact CG2-CD1 4.06Å; V94-F100 HydrophobicContact CG2-CE1 4.1Å; F100-P105 HydrophobicContact CD1-CB 4.07Å; F100-P105 HydrophobicContact CD1-CG 4.17Å; F100-P105 HydrophobicContact CE1-CB 4.03Å; F100-P105 HydrophobicContact CE1-CG 4Å; F100-C109 HydrophobicContact CE1-CB 4.46Å; F100-C109 WeakPolarHBondContact CE1-O 3.47Å; F100-C109 WeakPolarHBondContact CZ-O 3.2Å
101	R	93.4	Very high	93.3	Very high	167 Å²	167	55.7 Å²	55.7	63%	0.63	27%	0.267	S	S	*	.	S	Bend	trans	-78.2	-27.1	173.7	-172.4	175.4	-179.7	177.7	2	112.4	C93 T95 R99	C93-R101 WeakPolarHBondContact O-CB 3.37Å; C93-R101 PolarHBondContact O-N 3.03Å; T95-R101 HydrophobicContact CG2-CB 4.35Å; R99-R101 PolarHBondContact O-N 3.29Å
102	T	91.4	Very high	93.1	Very high	35 Å²	35	48.9 Å²	48.9	22%	0.215	24%	0.241	C	C	.	.	S	Bend	trans	-125	146.4	-171	56.2	0	0	0	0	111.6	R90	R90-T102 PolarHBondContact NH1-OG1 3.4Å
103	N	91	Very high	93.1	Very high	64 Å²	64	50.8 Å²	50.8	34%	0.342	25%	0.246	S	C	.	.	S	Bend	trans	-66	-38.4	175	-72.7	-35.9	0	0	0	113.1	K41 P105	K41-N103 WeakPolarHBondContact CB-OD1 3.41Å; N103-P105 VanDerWaalsContact C-CD 3.43Å; N103-P105 WeakPolarHBondContact O-CD 3.31Å
104	F	91.3	Very high	93.2	Very high	137 Å²	137	50.8 Å²	50.8	60%	0.601	25%	0.246	S	C	*	.	S	Bend	trans	-111.7	76.6	-178.8	-62.9	-76.1	0	0	0	110	R90	R90-F104 PolarHBondContact NH1-O 3.19Å; R90-F104 PolarHBondContact NH2-O 3.46Å
105	P	94.1	Very high	93.3	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.019	25%	0.248	C	C	.	.			trans	-58.9	164.1	177.7	25.9	-34	0	0	0	111.9	F75 C93 F100 N103 C109 R110	F75-P105 WeakPolarHBondContact CE2-O 3.5Å; F75-P105 WeakPolarHBondContact CZ-O 3.27Å; C93-P105 HydrophobicContact CB-CB 4.22Å; F100-P105 HydrophobicContact CD1-CB 4.07Å; F100-P105 HydrophobicContact CD1-CG 4.17Å; F100-P105 HydrophobicContact CE1-CB 4.03Å; F100-P105 HydrophobicContact CE1-CG 4Å; N103-P105 VanDerWaalsContact C-CD 3.43Å; N103-P105 WeakPolarHBondContact O-CD 3.31Å; P105-C109 HydrophobicContact CB-CB 3.76Å; P105-R110 HydrophobicContact CG-CB 3.91Å; P105-R110 HydrophobicContact CG-CG 4.35Å
106	C	94.8	Very high	93.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.24	C	C	.	.			trans	-66.5	164.9	174.3	62.5	0	0	0	0	111.8	C93 I108 C109 R110 V143	C93-C106 PolarHBondContact SG-N 3.18Å; C93-C106 VanDerWaalsContact SG-N 3.43Å; C93-C106 VanDerWaalsContact SG-SG 3.62Å; C106-I108 VanDerWaalsContact C-N 3.32Å; C106-I108 PolarHBondContact O-N 3.22Å; C106-I108 VanDerWaalsContact O-N 3.16Å; C106-C109 CarbonylContact O-C 3.52Å; C106-C109 PolarHBondContact O-N 2.93Å; C106-C109 VanDerWaalsContact SG-CB 3.6Å; C106-C109 VanDerWaalsContact SG-SG 3.62Å; C106-R110 WeakPolarHBondContact O-CB 3.46Å; C106-R110 PolarHBondContact O-N 3.05Å; C106-V143 HydrophobicContact CB-CB 4.45Å
107	P	94.9	Very high	93.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-48.5	-49.2	-174.4	-28.7	34	0	0	0	114.1	V71 W72 F75 C109 R110 D111	V71-P107 HydrophobicContact CG1-CB 3.61Å; W72-P107 HydrophobicContact CB-CG 4.13Å; F75-P107 HydrophobicContact CB-CG 3.48Å; F75-P107 VanDerWaalsContact CB-CG 3.48Å; F75-P107 HydrophobicContact CD1-CG 4.02Å; F75-P107 HydrophobicContact CD2-CG 4.11Å; F75-P107 HydrophobicContact CG-CG 3.6Å; P107-C109 VanDerWaalsContact C-N 3.35Å; P107-C109 PolarHBondContact O-N 3.47Å; P107-R110 PolarHBondContact O-N 3.44Å; P107-D111 PolarHBondContact O-N 3.34Å; P107-D111 VanDerWaalsContact O-N 3.12Å
108	I	95.7	Very high	94.2	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-67.1	-32.1	179.3	-59.5	172.5	0	0	0	113.1	R45 C106 V116 F127 V143 I151	R45-I108 PolarHBondContact NH2-O 3.48Å; C106-I108 VanDerWaalsContact C-N 3.32Å; C106-I108 PolarHBondContact O-N 3.22Å; C106-I108 VanDerWaalsContact O-N 3.16Å; I108-V116 HydrophobicContact CD1-CG2 4.05Å; I108-V116 HydrophobicContact CG2-CG2 3.67Å; I108-F127 HydrophobicContact CD1-CE1 4.24Å; I108-F127 HydrophobicContact CD1-CE2 4.17Å; I108-F127 HydrophobicContact CD1-CZ 3.6Å; I108-F127 HydrophobicContact CG1-CZ 4.02Å; I108-V143 HydrophobicContact CD1-CG1 3.8Å; I108-V143 HydrophobicContact CG1-CG1 4.23Å; I108-I151 HydrophobicContact CD1-CD1 3.31Å; I108-I151 HydrophobicContact CD1-CG1 4.06Å
109	C	94.1	Very high	94.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-86	-25.5	179	-76.9	0	0	0	0	111.8	R45 C93 V94 F100 P105 C106 P107	R45-C109 PolarHBondContact NH1-SG 2.74Å; R45-C109 VanDerWaalsContact NH1-SG 3.44Å; C93-C109 HydrophobicContact CB-CB 3.94Å; V94-C109 HydrophobicContact CG2-CB 4.34Å; F100-C109 HydrophobicContact CE1-CB 4.46Å; F100-C109 WeakPolarHBondContact CE1-O 3.47Å; F100-C109 WeakPolarHBondContact CZ-O 3.2Å; P105-C109 HydrophobicContact CB-CB 3.76Å; C106-C109 CarbonylContact O-C 3.52Å; C106-C109 PolarHBondContact O-N 2.93Å; C106-C109 VanDerWaalsContact SG-CB 3.6Å; C106-C109 VanDerWaalsContact SG-SG 3.62Å; P107-C109 VanDerWaalsContact C-N 3.35Å; P107-C109 PolarHBondContact O-N 3.47Å
110	R	92.4	Very high	94.7	Very high	80 Å²	80	38.2 Å²	38.2	30%	0.302	17%	0.167	S	C	.	.	H	α-helix	trans	-66.5	-54.5	174.9	-173	-176.6	65.6	179.8	-0.5	108.4	N35 R40 P105 C106 P107 E112	N35-R110 PolarHBondContact OD1-O 2.98Å; R40-R110 VanDerWaalsContact NH1-C 3.27Å; R40-R110 VanDerWaalsContact NH1-CA 3.33Å; R40-R110 PolarHBondContact NH1-O 3.1Å; P105-R110 HydrophobicContact CG-CB 3.91Å; P105-R110 HydrophobicContact CG-CG 4.35Å; C106-R110 WeakPolarHBondContact O-CB 3.46Å; C106-R110 PolarHBondContact O-N 3.05Å; P107-R110 PolarHBondContact O-N 3.44Å; R110-E112 PolarHBondContact O-N 2.87Å
111	D	94.2	Very high	94.8	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.016	18%	0.175	C	C	.	.			trans	-80.7	124.9	-179.4	-153.7	-20.3	0	0	0	110.9	N35 Y56 Y66 P107 Y113 L114	N35-D111 PolarHBondContact ND2-OD1 3.22Å; Y56-D111 PolarHBondContact OH-OD2 3.3Å; Y66-D111 PolarHBondContact OH-OD2 3.31Å; P107-D111 PolarHBondContact O-N 3.34Å; P107-D111 VanDerWaalsContact O-N 3.12Å; D111-Y113 PolarHBondContact OD1-N 2.84Å; D111-L114 HydrophobicContact CB-CB 4.13Å; D111-L114 HydrophobicContact CB-CD1 3.67Å; D111-L114 HydrophobicContact CB-CG 3.67Å
112	E	92	Very high	94.9	Very high	15 Å²	15	36.3 Å²	36.3	7%	0.07	17%	0.166	C	C	.	.	S	Bend	trans	-71.5	-34.6	179.4	61.6	-156.2	165.7	0	0	112.2	T34 P46 R110 L114	T34-E112 WeakPolarHBondContact CA-OE2 3.42Å; P46-E112 HydrophobicContact CG-CB 3.83Å; P46-E112 HydrophobicContact CG-CG 4.42Å; P46-E112 WeakPolarHBondContact CG-OE2 3.45Å; R110-E112 PolarHBondContact O-N 2.87Å; E112-L114 VanDerWaalsContact C-N 3.29Å; E112-L114 PolarHBondContact O-N 3.42Å
113	Y	95.5	Very high	95.2	Very high	74 Å²	74	34.7 Å²	34.7	29%	0.29	16%	0.156	S	C	.	.	S	Bend	trans	-76.3	-18	-176.9	-59.8	-67.8	0	0	0	112.8	H48 T52 S53 Y56 D111 V115	H48-Y113 AromaticContact CD2-CD1 3.49Å; H48-Y113 VanDerWaalsContact CD2-CD1 3.49Å; H48-Y113 WeakPolarHBondContact CD2-CD1 3.5Å; H48-Y113 AromaticContact CD2-CE1 3.68Å; H48-Y113 AromaticContact CE1-CE1 3.89Å; H48-Y113 AromaticContact NE2-CD1 3.77Å; H48-Y113 AromaticContact NE2-CE1 3.44Å; H48-Y113 WeakPolarHBondContact NE2-CE1 3.4Å; T52-Y113 HydrophobicContact CG2-CD1 4.26Å; S53-Y113 VanDerWaalsContact CA-O 3.28Å; S53-Y113 WeakPolarHBondContact CA-O 3.36Å; S53-Y113 WeakPolarHBondContact CB-O 3.47Å; S53-Y113 PolarHBondContact OG-O 2.91Å; Y56-Y113 HydrophobicContact CD1-CG 4.27Å; Y56-Y113 AromaticContact CD2-CD2 3.96Å; Y56-Y113 HydrophobicContact CD2-CD2 3.96Å; Y56-Y113 AromaticContact CD2-CG 3.96Å; Y56-Y113 HydrophobicContact CD2-CG 3.96Å; Y56-Y113 AromaticContact CE2-CD2 3.89Å; Y56-Y113 HydrophobicContact CE2-CD2 3.89Å; Y56-Y113 HydrophobicContact CE2-CG 4.32Å; Y56-Y113 VanDerWaalsContact CG-CB 3.45Å; Y56-Y113 HydrophobicContact CG-CD2 4.34Å; Y56-Y113 AromaticContact CG-CG 3.94Å; Y56-Y113 HydrophobicContact CG-CG 3.94Å; D111-Y113 PolarHBondContact OD1-N 2.84Å; Y113-V115 PolarHBondContact O-N 2.99Å
114	L	95.8	Very high	95.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	14%	0.14	C	C	.	.			trans	-80	86.6	177.9	-63.1	-176.1	0	0	0	111.2	Y56 L57 Y62 V71 D111 E112 L123	Y56-L114 HydrophobicContact CD1-CD2 4.18Å; Y56-L114 HydrophobicContact CE1-CD2 4.07Å; Y56-L114 HydrophobicContact CE1-CG 4.49Å; L57-L114 HydrophobicContact CD2-CD2 3.87Å; Y62-L114 HydrophobicContact CE2-CD2 4.32Å; V71-L114 HydrophobicContact CB-CD1 4.32Å; V71-L114 HydrophobicContact CG1-CD1 3.49Å; V71-L114 VanDerWaalsContact CG1-CD1 3.49Å; V71-L114 HydrophobicContact CG2-CD1 3.8Å; D111-L114 HydrophobicContact CB-CB 4.13Å; D111-L114 HydrophobicContact CB-CD1 3.67Å; D111-L114 HydrophobicContact CB-CG 3.67Å; E112-L114 VanDerWaalsContact C-N 3.29Å; E112-L114 PolarHBondContact O-N 3.42Å; L114-L123 HydrophobicContact CB-CD2 4.48Å; L114-L123 HydrophobicContact CD2-CD1 4.08Å
115	V	96.1	Very high	95.7	Very high	25 Å²	25	30.1 Å²	30.1	15%	0.152	14%	0.135	C	C	.	.			trans	-94	125.1	175.1	-168.7	0	0	0	0	109.9	H48 S53 Y113 D117 N120 L123	H48-V115 HydrophobicContact CB-CG2 4.33Å; H48-V115 WeakPolarHBondContact O-CG2 3.43Å; S53-V115 PolarHBondContact OG-N 3.29Å; S53-V115 PolarHBondContact OG-O 3.32Å; Y113-V115 PolarHBondContact O-N 2.99Å; V115-D117 WeakPolarHBondContact CG1-OD2 3.44Å; V115-N120 PolarHBondContact O-ND2 3.26Å; V115-L123 WeakPolarHBondContact O-CD2 3.37Å
116	V	96.8	Very high	95.9	Very high	19 Å²	19	31.4 Å²	31.4	12%	0.115	14%	0.14	C	C	.	.			trans	-87.1	106.3	179.3	-179.2	0	0	0	0	109.1	I108 L123 L124 I151 E154	I108-V116 HydrophobicContact CD1-CG2 4.05Å; I108-V116 HydrophobicContact CG2-CG2 3.67Å; V116-L123 HydrophobicContact CG2-CD2 4.49Å; V116-L124 HydrophobicContact CG1-CD2 4.11Å; V116-I151 HydrophobicContact CG1-CB 4.38Å; V116-I151 HydrophobicContact CG1-CG1 3.77Å; V116-I151 HydrophobicContact CG2-CG1 4.13Å; V116-E154 HydrophobicContact CG1-CB 4.22Å; V116-E154 HydrophobicContact CG1-CG 4.06Å
117	D	97.6	Very high	96	Very high	42 Å²	42	31.5 Å²	31.5	23%	0.225	14%	0.141	C	C	.	.			trans	-142.9	147.5	177.9	-84.2	-66.8	0	0	0	110.2	W50 V115 R119 N120 L124	W50-D117 HydrophobicContact CB-CB 4.01Å; W50-D117 WeakPolarHBondContact CB-OD2 3.23Å; V115-D117 WeakPolarHBondContact CG1-OD2 3.44Å; D117-R119 PolarHBondContact O-N 3.28Å; D117-R119 VanDerWaalsContact O-N 3.1Å; D117-N120 PolarHBondContact O-N 3.11Å; D117-L124 WeakPolarHBondContact O-CD1 3.35Å
118	Y	98	Very high	96.1	Very high	28 Å²	28	32.7 Å²	32.7	11%	0.11	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-24.6	177.7	68.9	-86.9	0	0	0	114.4	N120 E154 K157 R161 Y163	Y118-N120 VanDerWaalsContact C-N 3.33Å; Y118-E154 WeakPolarHBondContact CB-O 3.47Å; Y118-E154 WeakPolarHBondContact CB-OE2 3.36Å; Y118-E154 VanDerWaalsContact CD1-OE2 3.27Å; Y118-E154 WeakPolarHBondContact CD1-OE2 3.45Å; Y118-E154 PolarHBondContact N-OE2 2.91Å; Y118-K157 HydrophobicContact CG-CB 4.43Å; Y118-R161 PolarHBondContact OH-NH1 2.8Å; Y118-Y163 AromaticContact CD2-CD2 3.85Å; Y118-Y163 HydrophobicContact CD2-CD2 3.85Å; Y118-Y163 AromaticContact CD2-CE2 3.66Å; Y118-Y163 HydrophobicContact CD2-CE2 3.66Å; Y118-Y163 HydrophobicContact CE2-CD2 4.33Å; Y118-Y163 AromaticContact CE2-CE2 3.67Å; Y118-Y163 HydrophobicContact CE2-CE2 3.67Å
119	R	97.5	Very high	96.1	Very high	102 Å²	102	35 Å²	35	39%	0.385	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-22.1	177.8	-61.1	-176.6	-178.5	176.1	-0	112.5	W50 D117 V121	W50-R119 HydrophobicContact CD2-CB 4.43Å; W50-R119 HydrophobicContact CE3-CB 3.87Å; W50-R119 HydrophobicContact CZ3-CB 4.01Å; D117-R119 PolarHBondContact O-N 3.28Å; D117-R119 VanDerWaalsContact O-N 3.1Å; R119-V121 VanDerWaalsContact C-N 3.34Å; R119-V121 PolarHBondContact O-N 3.06Å; R119-V121 VanDerWaalsContact O-N 3.13Å
120	N	97	Very high	96	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.011	19%	0.192	C	C	.	.			trans	-89.6	73.5	-176.8	-169.4	1.1	0	0	0	110.9	S53 V54 L57 V115 D117 Y118 K122 L123 L124	S53-N120 PolarHBondContact OG-ND2 2.91Å; V54-N120 HydrophobicContact CG2-CB 4.25Å; L57-N120 WeakPolarHBondContact CD1-OD1 3.29Å; V115-N120 PolarHBondContact O-ND2 3.26Å; D117-N120 PolarHBondContact O-N 3.11Å; Y118-N120 VanDerWaalsContact C-N 3.33Å; N120-K122 PolarHBondContact O-N 3.4Å; N120-L123 HydrophobicContact CB-CB 4.45Å; N120-L123 WeakPolarHBondContact ND2-CB 3.44Å; N120-L123 PolarHBondContact O-N 3.49Å; N120-L124 WeakPolarHBondContact O-CG 3.26Å; N120-L124 PolarHBondContact O-N 2.97Å
121	V	96.5	Very high	96.1	Very high	32 Å²	32	45 Å²	45	19%	0.194	22%	0.218	C	C	.	.	H	α-helix	trans	-59.5	-45.1	-174.6	179.6	0	0	0	0	111.6	R119 L123 L124 E125 Y163 I164	R119-V121 VanDerWaalsContact C-N 3.34Å; R119-V121 PolarHBondContact O-N 3.06Å; R119-V121 VanDerWaalsContact O-N 3.13Å; V121-L123 PolarHBondContact O-N 2.86Å; V121-L124 PolarHBondContact O-N 3.27Å; V121-E125 HydrophobicContact CG1-CG 3.94Å; V121-E125 VanDerWaalsContact CG1-OE1 3.25Å; V121-E125 WeakPolarHBondContact CG1-OE1 3.36Å; V121-E125 WeakPolarHBondContact O-CG 3.03Å; V121-E125 PolarHBondContact O-N 3.32Å; V121-Y163 HydrophobicContact CG2-CD1 4.38Å; V121-I164 HydrophobicContact CG1-CG1 4.18Å
122	K	96.5	Very high	96.1	Very high	101 Å²	101	49 Å²	49	44%	0.439	24%	0.243	S	C	.	.	H	α-helix	trans	-56.1	-35.7	-179.7	-68.3	178.8	-179.5	171.2	0	113.5	L57 D58 N120 Q126	L57-K122 HydrophobicContact CD1-CB 3.91Å; D58-K122 IonicContact OD1-NZ 3.68Å; D58-K122 PolarHBondContact OD1-NZ 2.97Å; D58-K122 IonicContact OD2-NZ 2.55Å; D58-K122 PolarHBondContact OD2-NZ 3.05Å; N120-K122 PolarHBondContact O-N 3.4Å; K122-Q126 WeakPolarHBondContact O-CG 3.4Å; K122-Q126 PolarHBondContact O-NE2 2.88Å
123	L	97.3	Very high	96.2	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-77.4	-44	176	-176.5	59.9	0	0	0	111.8	L57 V71 L114 V115 V116 N120 V121 Q126 F127	L57-L123 HydrophobicContact CD1-CB 3.97Å; V71-L123 HydrophobicContact CG2-CD1 4.35Å; L114-L123 HydrophobicContact CB-CD2 4.48Å; L114-L123 HydrophobicContact CD2-CD1 4.08Å; V115-L123 WeakPolarHBondContact O-CD2 3.37Å; V116-L123 HydrophobicContact CG2-CD2 4.49Å; N120-L123 HydrophobicContact CB-CB 4.45Å; N120-L123 WeakPolarHBondContact ND2-CB 3.44Å; N120-L123 PolarHBondContact O-N 3.49Å; V121-L123 PolarHBondContact O-N 2.86Å; L123-Q126 WeakPolarHBondContact O-CB 3.48Å; L123-Q126 PolarHBondContact O-N 3.42Å; L123-F127 HydrophobicContact CD1-CE2 4.23Å; L123-F127 HydrophobicContact CG-CE2 4.38Å; L123-F127 WeakPolarHBondContact O-CD2 3.49Å
124	L	97.5	Very high	96.2	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-66.7	-37.6	-176.2	-68.2	-177.2	0	0	0	112.6	V116 D117 N120 V121 Q126 F127 I151 E154 I155 A158 I164	V116-L124 HydrophobicContact CG1-CD2 4.11Å; D117-L124 WeakPolarHBondContact O-CD1 3.35Å; N120-L124 WeakPolarHBondContact O-CG 3.26Å; N120-L124 PolarHBondContact O-N 2.97Å; V121-L124 PolarHBondContact O-N 3.27Å; L124-Q126 PolarHBondContact O-N 3.07Å; L124-F127 PolarHBondContact O-N 2.89Å; L124-I151 HydrophobicContact CD2-CG2 4.48Å; L124-E154 HydrophobicContact CD1-CB 4.41Å; L124-E154 HydrophobicContact CD2-CB 4.38Å; L124-I155 HydrophobicContact CB-CG1 4.26Å; L124-I155 HydrophobicContact CD1-CG1 4.4Å; L124-I155 HydrophobicContact CD2-CG1 4.08Å; L124-I155 HydrophobicContact CG-CG1 4.49Å; L124-A158 HydrophobicContact CD1-CB 4.21Å; L124-I164 HydrophobicContact CB-CD1 3.93Å; L124-I164 HydrophobicContact CD1-CD1 4.12Å
125	E	96.5	Very high	96.2	Very high	105 Å²	105	54.5 Å²	54.5	49%	0.491	28%	0.282	S	S	.	.	H	α-helix	trans	-56.8	-31.5	176.5	-76.4	175.7	167.5	0	0	112.6	V121 F127 I128	V121-E125 HydrophobicContact CG1-CG 3.94Å; V121-E125 VanDerWaalsContact CG1-OE1 3.25Å; V121-E125 WeakPolarHBondContact CG1-OE1 3.36Å; V121-E125 WeakPolarHBondContact O-CG 3.03Å; V121-E125 PolarHBondContact O-N 3.32Å; E125-F127 PolarHBondContact O-N 2.93Å; E125-F127 VanDerWaalsContact O-N 3.15Å; E125-I128 PolarHBondContact O-N 2.69Å
126	Q	96.4	Very high	96.2	Very high	29 Å²	29	53.7 Å²	53.7	14%	0.136	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.5	176.7	-56.7	-179.5	19.8	0	0	113.6	Y62 R70 W72 K122 L123 L124	Y62-Q126 PolarHBondContact OH-NE2 3.2Å; R70-Q126 HydrophobicContact CB-CB 4.42Å; R70-Q126 HydrophobicContact CG-CB 4.42Å; W72-Q126 PolarHBondContact NE1-O 3.01Å; K122-Q126 WeakPolarHBondContact O-CG 3.4Å; K122-Q126 PolarHBondContact O-NE2 2.88Å; L123-Q126 WeakPolarHBondContact O-CB 3.48Å; L123-Q126 PolarHBondContact O-N 3.42Å; L124-Q126 PolarHBondContact O-N 3.07Å
127	F	97.3	Very high	96.1	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.009	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	3.1	177.7	-63	-77.9	0	0	0	112.7	W72 I108 L123 L124 E125 I135 V136 C141 V143 I151 I155	W72-F127 AromaticContact CD1-CD1 3.84Å; W72-F127 AromaticContact CD1-CE1 3.43Å; W72-F127 VanDerWaalsContact CD1-CE1 3.43Å; W72-F127 HydrophobicContact CG-CE1 4.24Å; I108-F127 HydrophobicContact CD1-CE1 4.24Å; I108-F127 HydrophobicContact CD1-CE2 4.17Å; I108-F127 HydrophobicContact CD1-CZ 3.6Å; I108-F127 HydrophobicContact CG1-CZ 4.02Å; L123-F127 HydrophobicContact CD1-CE2 4.23Å; L123-F127 HydrophobicContact CG-CE2 4.38Å; L123-F127 WeakPolarHBondContact O-CD2 3.49Å; L124-F127 PolarHBondContact O-N 2.89Å; E125-F127 PolarHBondContact O-N 2.93Å; E125-F127 VanDerWaalsContact O-N 3.15Å; F127-I135 WeakPolarHBondContact O-CA 3.17Å; F127-V136 WeakPolarHBondContact O-CG2 3.42Å; F127-V136 PolarHBondContact O-N 3Å; F127-C141 HydrophobicContact CD1-CB 4.38Å; F127-C141 HydrophobicContact CE1-CB 4.29Å; F127-V143 HydrophobicContact CE1-CG1 4.39Å; F127-I151 HydrophobicContact CB-CG2 3.96Å; F127-I151 HydrophobicContact CD1-CD1 4.12Å; F127-I151 HydrophobicContact CD2-CD1 4.39Å; F127-I151 HydrophobicContact CD2-CG2 4.22Å; F127-I151 HydrophobicContact CE1-CD1 4.02Å; F127-I151 HydrophobicContact CE2-CD1 4.29Å; F127-I151 HydrophobicContact CG-CD1 4.32Å; F127-I151 HydrophobicContact CG-CG2 4.03Å; F127-I151 HydrophobicContact CZ-CD1 4.12Å; F127-I155 HydrophobicContact CB-CD1 4.36Å
128	I	97.1	Very high	95.9	Very high	25 Å²	25	58.1 Å²	58.1	13%	0.128	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-108.4	135.5	177.6	-59.7	172.7	0	0	0	109	E125 E134 I155 I164	E125-I128 PolarHBondContact O-N 2.69Å; I128-E134 WeakPolarHBondContact CA-O 3.48Å; I128-I155 HydrophobicContact CD1-CD1 4.32Å; I128-I155 HydrophobicContact CD1-CG1 4.47Å; I128-I155 HydrophobicContact CD1-CG2 4.15Å; I128-I155 HydrophobicContact CG1-CD1 3.96Å; I128-I164 HydrophobicContact CD1-CD1 3.97Å; I128-I164 HydrophobicContact CD1-CG2 3.93Å
129	I	95.6	Very high	95.6	Very high	50 Å²	50	62.4 Å²	62.4	26%	0.256	31%	0.313	S	S	.	.			trans	-78	120.5	173.6	-58.9	173.8	0	0	0	107.6	Q131 T132 G133 E134 V136	I129-Q131 VanDerWaalsContact C-N 3.29Å; I129-Q131 PolarHBondContact O-N 2.86Å; I129-T132 PolarHBondContact O-N 2.97Å; I129-G133 WeakPolarHBondContact O-CA 3.34Å; I129-G133 PolarHBondContact O-N 2.97Å; I129-E134 PolarHBondContact N-O 3.21Å; I129-V136 HydrophobicContact CD1-CG2 4.45Å; I129-V136 HydrophobicContact CG1-CG2 3.69Å
130	P	93.3	Very high	95.4	Very high	107 Å²	107	63.9 Å²	63.9	70%	0.695	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-30.8	-171.4	24.3	-34.3	0	0	0	113.5
131	Q	93.4	Very high	95.3	Very high	184 Å²	184	63.8 Å²	63.8	86%	0.86	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-43.9	-178.1	-66.6	175.4	-33	0	0	112.7	I129	I129-Q131 VanDerWaalsContact C-N 3.29Å; I129-Q131 PolarHBondContact O-N 2.86Å
132	T	94	Very high	95.1	Very high	87 Å²	87	62.9 Å²	62.9	53%	0.534	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-23.3	-173.6	-36.5	0	0	0	0	112.4	I129 E134	I129-T132 PolarHBondContact O-N 2.97Å; T132-E134 HydrophobicContact CG2-CB 4.24Å; T132-E134 HydrophobicContact CG2-CG 3.66Å; T132-E134 PolarHBondContact O-N 2.84Å
133	G	93.9	Very high	95.1	Very high	35 Å²	35	58.1 Å²	58.1	36%	0.361	30%	0.296	S	S	.	.			trans	71.5	7.9	-171.4	0	0	0	0	0	114.2	I129	I129-G133 WeakPolarHBondContact O-CA 3.34Å; I129-G133 PolarHBondContact O-N 2.97Å
134	E	95.3	Very high	95	Very high	121 Å²	121	58.1 Å²	58.1	57%	0.565	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-82.6	154.7	177.7	-73.8	-177.8	-178.2	0	0	112	I128 I129 T132	I128-E134 WeakPolarHBondContact CA-O 3.48Å; I129-E134 PolarHBondContact N-O 3.21Å; T132-E134 HydrophobicContact CG2-CB 4.24Å; T132-E134 HydrophobicContact CG2-CG 3.66Å; T132-E134 PolarHBondContact O-N 2.84Å
135	I	96.9	Very high	95	Very high	48 Å²	48	61.4 Å²	61.4	25%	0.246	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-80.3	131.3	177.4	-56.5	173.7	0	0	0	108.6	F127 E137 Y148 C152 I155	F127-I135 WeakPolarHBondContact O-CA 3.17Å; I135-E137 PolarHBondContact O-N 3.25Å; I135-Y148 HydrophobicContact CG2-CE2 4.19Å; I135-C152 HydrophobicContact CD1-CB 4.22Å; I135-I155 HydrophobicContact CD1-CB 4.36Å; I135-I155 HydrophobicContact CD1-CD1 4.07Å; I135-I155 HydrophobicContact CD1-CG2 4.15Å; I135-I155 HydrophobicContact CG1-CD1 4Å; I135-I155 HydrophobicContact CG1-CG2 4.38Å; I135-I155 HydrophobicContact CG2-CD1 4.26Å
136	V	95.9	Very high	94.9	Very high	7 Å²	7	57.8 Å²	57.8	4%	0.042	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-61.3	127.9	178.9	-178.4	0	0	0	0	110.2	W72 F127 I129 K140 C141 Y148	W72-V136 HydrophobicContact CZ2-CG1 4.3Å; W72-V136 HydrophobicContact CZ2-CG2 4.43Å; F127-V136 WeakPolarHBondContact O-CG2 3.42Å; F127-V136 PolarHBondContact O-N 3Å; I129-V136 HydrophobicContact CD1-CG2 4.45Å; I129-V136 HydrophobicContact CG1-CG2 3.69Å; V136-K140 HydrophobicContact CG1-CB 3.89Å; V136-K140 HydrophobicContact CG1-CD 3.81Å; V136-K140 HydrophobicContact CG1-CG 3.85Å; V136-C141 WeakPolarHBondContact CB-SG 3.32Å; V136-C141 WeakPolarHBondContact CG1-SG 3.26Å; V136-Y148 WeakPolarHBondContact O-CE2 3.5Å
137	E	94.2	Very high	94.9	Very high	133 Å²	133	56.8 Å²	56.8	62%	0.621	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-53.4	142.9	-177.4	-64.5	-176.2	-179	0	0	113.9	I135 R139 K140 C141	I135-E137 PolarHBondContact O-N 3.25Å; E137-R139 PolarHBondContact O-N 3.48Å; E137-K140 PolarHBondContact O-N 3.4Å; E137-C141 PolarHBondContact O-N 3.19Å; E137-C141 VanDerWaalsContact O-N 3.11Å
138	C	94.5	Very high	94.9	Very high	21 Å²	21	59.4 Å²	59.4	14%	0.142	30%	0.302	C	S	.	.	H	α-helix	trans	-53.4	-33.3	179.9	-167.4	0	0	0	0	113.8	T89 S142 Y148	T89-C138 WeakPolarHBondContact CG2-O 3.46Å; T89-C138 PolarHBondContact OG1-SG 2.93Å; C138-S142 WeakPolarHBondContact O-CA 3.25Å; C138-S142 PolarHBondContact O-N 2.83Å; C138-Y148 HydrophobicContact CB-CD1 3.85Å; C138-Y148 HydrophobicContact CB-CD2 3.7Å; C138-Y148 HydrophobicContact CB-CE1 4.02Å; C138-Y148 HydrophobicContact CB-CE2 3.88Å; C138-Y148 HydrophobicContact CB-CG 3.68Å
139	R	92.1	Very high	95	Very high	119 Å²	119	63.5 Å²	63.5	45%	0.449	32%	0.323	S	S	.	.	H	α-helix	trans	-67.6	-37.3	178.1	-68.5	-177.6	-178.9	-174.8	-1	112.4	E137	E137-R139 PolarHBondContact O-N 3.48Å
140	K	92.7	Very high	95	Very high	133 Å²	133	67.6 Å²	67.6	58%	0.578	34%	0.335	S	S	*	.	H	α-helix	trans	-76.1	-45.7	-179.7	-176.6	168.9	173.9	-176.2	0	111.3	W72 V136 E137 S142	W72-K140 HydrophobicContact CH2-CG 4.28Å; W72-K140 HydrophobicContact CZ3-CG 4.06Å; V136-K140 HydrophobicContact CG1-CB 3.89Å; V136-K140 HydrophobicContact CG1-CD 3.81Å; V136-K140 HydrophobicContact CG1-CG 3.85Å; E137-K140 PolarHBondContact O-N 3.4Å; K140-S142 VanDerWaalsContact C-N 3.25Å; K140-S142 PolarHBondContact O-N 2.85Å
141	C	94.3	Very high	95.2	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-68.9	-22	174.7	-64.9	0	0	0	0	113.6	W72 F127 V136 E137 V143	W72-C141 HydrophobicContact CB-CB 4.5Å; W72-C141 WeakPolarHBondContact CB-O 3.28Å; W72-C141 HydrophobicContact CG-CB 4.3Å; F127-C141 HydrophobicContact CD1-CB 4.38Å; F127-C141 HydrophobicContact CE1-CB 4.29Å; V136-C141 WeakPolarHBondContact CB-SG 3.32Å; V136-C141 WeakPolarHBondContact CG1-SG 3.26Å; E137-C141 PolarHBondContact O-N 3.19Å; E137-C141 VanDerWaalsContact O-N 3.11Å; C141-V143 HydrophobicContact CB-CG1 4.32Å; C141-V143 HydrophobicContact CB-CG2 4.06Å; C141-V143 PolarHBondContact O-N 3.28Å; C141-V143 VanDerWaalsContact O-N 3.12Å
142	S	93.3	Very high	95.5	Very high	13 Å²	13	55.4 Å²	55.4	9%	0.091	27%	0.273	C	S	.	.			trans	56.9	24.1	-179.5	75	0	0	0	0	115.8	F75 C138 K140	F75-S142 WeakPolarHBondContact CD1-OG 3.5Å; F75-S142 WeakPolarHBondContact CE1-OG 3.44Å; C138-S142 WeakPolarHBondContact O-CA 3.25Å; C138-S142 PolarHBondContact O-N 2.83Å; K140-S142 VanDerWaalsContact C-N 3.25Å; K140-S142 PolarHBondContact O-N 2.85Å
143	V	96.2	Very high	95.7	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.006	27%	0.266	C	S	.	.			trans	-77.1	159	174.5	-66.8	0	0	0	0	112.4	T89 C106 I108 F127 C141 Y148 I151	T89-V143 WeakPolarHBondContact CB-O 3.29Å; T89-V143 WeakPolarHBondContact CG2-O 3.15Å; T89-V143 PolarHBondContact OG1-O 3.4Å; C106-V143 HydrophobicContact CB-CB 4.45Å; I108-V143 HydrophobicContact CD1-CG1 3.8Å; I108-V143 HydrophobicContact CG1-CG1 4.23Å; F127-V143 HydrophobicContact CE1-CG1 4.39Å; C141-V143 HydrophobicContact CB-CG1 4.32Å; C141-V143 HydrophobicContact CB-CG2 4.06Å; C141-V143 PolarHBondContact O-N 3.28Å; C141-V143 VanDerWaalsContact O-N 3.12Å; V143-Y148 HydrophobicContact CG2-CD2 3.99Å; V143-Y148 HydrophobicContact CG2-CG 4.38Å; V143-I151 HydrophobicContact CG2-CD1 4.49Å
144	C	95.8	Very high	95.9	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.253	C	S	.	.			trans	-69	154.4	171.4	62.4	0	0	0	0	111.2	R90 V146 Q147 Y148	R90-C144 HydrophobicContact CG-CB 3.93Å; R90-C144 WeakPolarHBondContact O-CA 3.04Å; R90-C144 WeakPolarHBondContact O-CB 3.48Å; C144-V146 VanDerWaalsContact C-N 3.28Å; C144-V146 PolarHBondContact O-N 2.99Å; C144-Q147 PolarHBondContact O-N 2.72Å; C144-Q147 VanDerWaalsContact O-N 3.16Å; C144-Q147 VanDerWaalsContact SG-CB 3.57Å; C144-Q147 WeakPolarHBondContact SG-CG 3.46Å; C144-Y148 PolarHBondContact O-N 3.14Å
145	Q	96.2	Very high	96	Very high	70 Å²	70	47.9 Å²	47.9	33%	0.327	23%	0.226	S	C	.	.	H	α-helix	trans	-60.7	-38	-175.1	-62.2	176.9	-5.1	0	0	112.4	T89 R90 Y91 Y148 L149	T89-Q145 PolarHBondContact O-NE2 3.01Å; T89-Q145 WeakPolarHBondContact OG1-CG 3.47Å; R90-Q145 PolarHBondContact O-N 2.82Å; Y91-Q145 PolarHBondContact O-N 3.17Å; Q145-Y148 PolarHBondContact O-N 2.92Å; Q145-L149 WeakPolarHBondContact O-CB 3.13Å; Q145-L149 PolarHBondContact O-N 3.4Å
146	V	95.5	Very high	96	Very high	28 Å²	28	50.3 Å²	50.3	17%	0.17	24%	0.237	C	C	.	.	H	α-helix	trans	-62.4	-46.4	176	171.7	0	0	0	0	111.7	Y91 N92 C144 L149 R150	Y91-V146 HydrophobicContact CD1-CG2 4.36Å; Y91-V146 HydrophobicContact CE1-CG2 4.01Å; Y91-V146 HydrophobicContact CE2-CG2 4.4Å; Y91-V146 WeakPolarHBondContact O-CG2 3.27Å; Y91-V146 PolarHBondContact O-N 3.02Å; N92-V146 HydrophobicContact CB-CB 4.44Å; N92-V146 HydrophobicContact CB-CG2 3.96Å; C144-V146 VanDerWaalsContact C-N 3.28Å; C144-V146 PolarHBondContact O-N 2.99Å; V146-L149 PolarHBondContact O-N 3.29Å; V146-R150 WeakPolarHBondContact O-CG 3.48Å; V146-R150 PolarHBondContact O-N 3.43Å
147	Q	96.2	Very high	96.1	Very high	9 Å²	9	53.7 Å²	53.7	4%	0.042	25%	0.251	C	S	.	.	H	α-helix	trans	-69.1	-37.5	178.3	-68.9	-65.8	-9	0	0	111.4	C144 L149 R150 I151	C144-Q147 PolarHBondContact O-N 2.72Å; C144-Q147 VanDerWaalsContact O-N 3.16Å; C144-Q147 VanDerWaalsContact SG-CB 3.57Å; C144-Q147 WeakPolarHBondContact SG-CG 3.46Å; Q147-L149 VanDerWaalsContact C-N 3.34Å; Q147-L149 PolarHBondContact O-N 2.79Å; Q147-R150 WeakPolarHBondContact O-CB 2.92Å; Q147-R150 PolarHBondContact O-N 3.33Å; Q147-I151 VanDerWaalsContact O-CG1 3.25Å; Q147-I151 WeakPolarHBondContact O-CG1 3.13Å; Q147-I151 PolarHBondContact O-N 3.45Å
148	Y	97.6	Very high	96.3	Very high	57 Å²	57	47.4 Å²	47.4	22%	0.224	22%	0.221	C	C	.	.	H	α-helix	trans	-57.9	-47.5	173.7	-175.2	-106.2	0	0	0	111.9	I135 V136 C138 V143 C144 Q145 R150 I151 C152	I135-Y148 HydrophobicContact CG2-CE2 4.19Å; V136-Y148 WeakPolarHBondContact O-CE2 3.5Å; C138-Y148 HydrophobicContact CB-CD1 3.85Å; C138-Y148 HydrophobicContact CB-CD2 3.7Å; C138-Y148 HydrophobicContact CB-CE1 4.02Å; C138-Y148 HydrophobicContact CB-CE2 3.88Å; C138-Y148 HydrophobicContact CB-CG 3.68Å; V143-Y148 HydrophobicContact CG2-CD2 3.99Å; V143-Y148 HydrophobicContact CG2-CG 4.38Å; C144-Y148 PolarHBondContact O-N 3.14Å; Q145-Y148 PolarHBondContact O-N 2.92Å; Y148-R150 VanDerWaalsContact C-N 3.3Å; Y148-R150 PolarHBondContact O-N 2.84Å; Y148-I151 WeakPolarHBondContact O-CB 3.5Å; Y148-I151 PolarHBondContact O-N 3.36Å; Y148-C152 PolarHBondContact O-N 2.95Å; Y148-C152 PolarHBondContact O-SG 3.04Å
149	L	97.5	Very high	96.4	Very high	111 Å²	111	48.2 Å²	48.2	58%	0.581	22%	0.222	S	C	*	.	H	α-helix	trans	-61.4	-40	176.6	-175.6	136.3	0	0	0	111.6	Q145 V146 Q147 C152 V153	Q145-L149 WeakPolarHBondContact O-CB 3.13Å; Q145-L149 PolarHBondContact O-N 3.4Å; V146-L149 PolarHBondContact O-N 3.29Å; Q147-L149 VanDerWaalsContact C-N 3.34Å; Q147-L149 PolarHBondContact O-N 2.79Å; L149-C152 PolarHBondContact O-N 3.4Å; L149-V153 HydrophobicContact CD2-CG2 4.33Å; L149-V153 VanDerWaalsContact O-CG2 3.29Å; L149-V153 WeakPolarHBondContact O-CG2 3.45Å; L149-V153 PolarHBondContact O-N 2.95Å
150	R	97.2	Very high	96.7	Very high	135 Å²	135	48 Å²	48	51%	0.509	23%	0.23	S	C	.	.	H	α-helix	trans	-60.5	-47.5	173.2	-72.1	176.8	-178.7	-167.7	-1.2	111.9	V146 Q147 Y148 C152 V153 E154	V146-R150 WeakPolarHBondContact O-CG 3.48Å; V146-R150 PolarHBondContact O-N 3.43Å; Q147-R150 WeakPolarHBondContact O-CB 2.92Å; Q147-R150 PolarHBondContact O-N 3.33Å; Y148-R150 VanDerWaalsContact C-N 3.3Å; Y148-R150 PolarHBondContact O-N 2.84Å; R150-C152 VanDerWaalsContact C-N 3.32Å; R150-C152 PolarHBondContact O-N 2.86Å; R150-V153 PolarHBondContact O-N 3.2Å; R150-E154 WeakPolarHBondContact O-CB 3.39Å; R150-E154 WeakPolarHBondContact O-CG 3.32Å; R150-E154 PolarHBondContact O-N 3.18Å
151	I	97.7	Very high	96.9	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-56.9	-47.4	176.3	-64.8	161.3	0	0	0	110.4	I108 V116 L124 F127 V143 Q147 Y148 V153 E154 I155	I108-I151 HydrophobicContact CD1-CD1 3.31Å; I108-I151 HydrophobicContact CD1-CG1 4.06Å; V116-I151 HydrophobicContact CG1-CB 4.38Å; V116-I151 HydrophobicContact CG1-CG1 3.77Å; V116-I151 HydrophobicContact CG2-CG1 4.13Å; L124-I151 HydrophobicContact CD2-CG2 4.48Å; F127-I151 HydrophobicContact CB-CG2 3.96Å; F127-I151 HydrophobicContact CD1-CD1 4.12Å; F127-I151 HydrophobicContact CD2-CD1 4.39Å; F127-I151 HydrophobicContact CD2-CG2 4.22Å; F127-I151 HydrophobicContact CE1-CD1 4.02Å; F127-I151 HydrophobicContact CE2-CD1 4.29Å; F127-I151 HydrophobicContact CG-CD1 4.32Å; F127-I151 HydrophobicContact CG-CG2 4.03Å; F127-I151 HydrophobicContact CZ-CD1 4.12Å; V143-I151 HydrophobicContact CG2-CD1 4.49Å; Q147-I151 VanDerWaalsContact O-CG1 3.25Å; Q147-I151 WeakPolarHBondContact O-CG1 3.13Å; Q147-I151 PolarHBondContact O-N 3.45Å; Y148-I151 WeakPolarHBondContact O-CB 3.5Å; Y148-I151 PolarHBondContact O-N 3.36Å; I151-V153 VanDerWaalsContact C-N 3.33Å; I151-V153 PolarHBondContact O-N 3.42Å; I151-E154 PolarHBondContact O-N 3.09Å; I151-I155 HydrophobicContact CG2-CD1 3.58Å; I151-I155 HydrophobicContact CG2-CG1 4.2Å; I151-I155 WeakPolarHBondContact O-CB 3.44Å; I151-I155 VanDerWaalsContact O-CG1 3.26Å; I151-I155 WeakPolarHBondContact O-CG1 3.38Å; I151-I155 PolarHBondContact O-N 3.19Å
152	C	97.9	Very high	97	Very high	35 Å²	35	51.3 Å²	51.3	24%	0.236	26%	0.259	C	S	.	.	H	α-helix	trans	-59.5	-43.9	178.1	-64.6	0	0	0	0	112.3	I135 Y148 L149 R150 Q156	I135-C152 HydrophobicContact CD1-CB 4.22Å; Y148-C152 PolarHBondContact O-N 2.95Å; Y148-C152 PolarHBondContact O-SG 3.04Å; L149-C152 PolarHBondContact O-N 3.4Å; R150-C152 VanDerWaalsContact C-N 3.32Å; R150-C152 PolarHBondContact O-N 2.86Å; C152-Q156 WeakPolarHBondContact O-CB 3.37Å; C152-Q156 PolarHBondContact O-N 3.37Å
153	V	98.3	Very high	97.1	Very high	63 Å²	63	55.9 Å²	55.9	38%	0.382	28%	0.275	S	S	.	.	H	α-helix	trans	-64.3	-45.3	177.7	169.5	0	0	0	0	111.1	L149 R150 I151 Q156 K157	L149-V153 HydrophobicContact CD2-CG2 4.33Å; L149-V153 VanDerWaalsContact O-CG2 3.29Å; L149-V153 WeakPolarHBondContact O-CG2 3.45Å; L149-V153 PolarHBondContact O-N 2.95Å; R150-V153 PolarHBondContact O-N 3.2Å; I151-V153 VanDerWaalsContact C-N 3.33Å; I151-V153 PolarHBondContact O-N 3.42Å; V153-Q156 PolarHBondContact O-N 3.35Å; V153-K157 HydrophobicContact CG1-CD 4.2Å; V153-K157 WeakPolarHBondContact O-CG 3.3Å; V153-K157 PolarHBondContact O-N 2.93Å
154	E	98.2	Very high	97.1	Very high	21 Å²	21	56.3 Å²	56.3	10%	0.098	28%	0.276	C	S	.	.	H	α-helix	trans	-69.1	-36.4	-179.7	-67.4	-51.8	129.8	0	0	112.4	V116 Y118 L124 R150 I151 K157 A158	V116-E154 HydrophobicContact CG1-CB 4.22Å; V116-E154 HydrophobicContact CG1-CG 4.06Å; Y118-E154 WeakPolarHBondContact CB-O 3.47Å; Y118-E154 WeakPolarHBondContact CB-OE2 3.36Å; Y118-E154 VanDerWaalsContact CD1-OE2 3.27Å; Y118-E154 WeakPolarHBondContact CD1-OE2 3.45Å; Y118-E154 PolarHBondContact N-OE2 2.91Å; L124-E154 HydrophobicContact CD1-CB 4.41Å; L124-E154 HydrophobicContact CD2-CB 4.38Å; R150-E154 WeakPolarHBondContact O-CB 3.39Å; R150-E154 WeakPolarHBondContact O-CG 3.32Å; R150-E154 PolarHBondContact O-N 3.18Å; I151-E154 PolarHBondContact O-N 3.09Å; E154-K157 PolarHBondContact O-N 3.12Å; E154-K157 IonicContact OE1-NZ 3.57Å; E154-K157 PolarHBondContact OE1-NZ 2.97Å; E154-A158 VanDerWaalsContact O-CB 3.27Å; E154-A158 WeakPolarHBondContact O-CB 3.47Å; E154-A158 PolarHBondContact O-N 3.11Å
155	I	98.1	Very high	97	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-62.4	-44.6	171	-71.1	172.3	0	0	0	110.3	L124 F127 I128 I135 I151 A158 K159	L124-I155 HydrophobicContact CB-CG1 4.26Å; L124-I155 HydrophobicContact CD1-CG1 4.4Å; L124-I155 HydrophobicContact CD2-CG1 4.08Å; L124-I155 HydrophobicContact CG-CG1 4.49Å; F127-I155 HydrophobicContact CB-CD1 4.36Å; I128-I155 HydrophobicContact CD1-CD1 4.32Å; I128-I155 HydrophobicContact CD1-CG1 4.47Å; I128-I155 HydrophobicContact CD1-CG2 4.15Å; I128-I155 HydrophobicContact CG1-CD1 3.96Å; I135-I155 HydrophobicContact CD1-CB 4.36Å; I135-I155 HydrophobicContact CD1-CD1 4.07Å; I135-I155 HydrophobicContact CD1-CG2 4.15Å; I135-I155 HydrophobicContact CG1-CD1 4Å; I135-I155 HydrophobicContact CG1-CG2 4.38Å; I135-I155 HydrophobicContact CG2-CD1 4.26Å; I151-I155 HydrophobicContact CG2-CD1 3.58Å; I151-I155 HydrophobicContact CG2-CG1 4.2Å; I151-I155 WeakPolarHBondContact O-CB 3.44Å; I151-I155 VanDerWaalsContact O-CG1 3.26Å; I151-I155 WeakPolarHBondContact O-CG1 3.38Å; I151-I155 PolarHBondContact O-N 3.19Å; I155-A158 WeakPolarHBondContact O-CB 3.32Å; I155-A158 PolarHBondContact O-N 3.04Å; I155-K159 HydrophobicContact CG2-CD 4.36Å; I155-K159 WeakPolarHBondContact O-CG 3.36Å; I155-K159 PolarHBondContact O-N 3.07Å
156	Q	97.2	Very high	96.9	Very high	100 Å²	100	64.2 Å²	64.2	47%	0.467	32%	0.322	S	S	.	.	H	α-helix	trans	-62.7	-46.2	177.9	-172.7	59	40.4	0	0	111.2	C152 V153 A158 K159 D160	C152-Q156 WeakPolarHBondContact O-CB 3.37Å; C152-Q156 PolarHBondContact O-N 3.37Å; V153-Q156 PolarHBondContact O-N 3.35Å; Q156-A158 VanDerWaalsContact C-N 3.27Å; Q156-A158 PolarHBondContact O-N 3.11Å; Q156-K159 WeakPolarHBondContact O-CB 3.08Å; Q156-K159 PolarHBondContact O-N 2.57Å; Q156-D160 PolarHBondContact NE2-OD1 3.32Å; Q156-D160 PolarHBondContact O-N 3.47Å
157	K	98.2	Very high	96.7	Very high	78 Å²	78	69.4 Å²	69.4	34%	0.339	35%	0.354	S	S	.	.	H	α-helix	trans	-58.6	-38.9	173.9	-72.7	173.4	-177.1	172	0	112.3	Y118 V153 E154 D160 R161	Y118-K157 HydrophobicContact CG-CB 4.43Å; V153-K157 HydrophobicContact CG1-CD 4.2Å; V153-K157 WeakPolarHBondContact O-CG 3.3Å; V153-K157 PolarHBondContact O-N 2.93Å; E154-K157 PolarHBondContact O-N 3.12Å; E154-K157 IonicContact OE1-NZ 3.57Å; E154-K157 PolarHBondContact OE1-NZ 2.97Å; K157-D160 PolarHBondContact O-N 3.12Å; K157-R161 WeakPolarHBondContact O-CB 3.1Å; K157-R161 VanDerWaalsContact O-CG 3.29Å; K157-R161 WeakPolarHBondContact O-CG 3.4Å; K157-R161 PolarHBondContact O-N 2.78Å; K157-R161 VanDerWaalsContact O-N 3.07Å
158	A	97.9	Very high	96.5	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-67.2	-40.4	178.2	0	0	0	0	0	111.7	L124 E154 I155 Q156 R161 G162 Y163 I164	L124-A158 HydrophobicContact CD1-CB 4.21Å; E154-A158 VanDerWaalsContact O-CB 3.27Å; E154-A158 WeakPolarHBondContact O-CB 3.47Å; E154-A158 PolarHBondContact O-N 3.11Å; I155-A158 WeakPolarHBondContact O-CB 3.32Å; I155-A158 PolarHBondContact O-N 3.04Å; Q156-A158 VanDerWaalsContact C-N 3.27Å; Q156-A158 PolarHBondContact O-N 3.11Å; A158-R161 PolarHBondContact O-N 3.45Å; A158-G162 PolarHBondContact O-N 3.42Å; A158-G162 VanDerWaalsContact O-N 3.08Å; A158-Y163 PolarHBondContact O-N 3.16Å; A158-I164 HydrophobicContact CB-CB 4.43Å; A158-I164 HydrophobicContact CB-CD1 3.64Å; A158-I164 HydrophobicContact CB-CG1 3.89Å
159	K	96.7	Very high	96	Very high	38 Å²	38	75.6 Å²	75.6	17%	0.165	40%	0.4	C	S	.	.	H	α-helix	trans	-62	-48.5	172.2	-72	-179.8	178.4	-173.7	0	111.3	I155 Q156 R161 G162 F166	I155-K159 HydrophobicContact CG2-CD 4.36Å; I155-K159 WeakPolarHBondContact O-CG 3.36Å; I155-K159 PolarHBondContact O-N 3.07Å; Q156-K159 WeakPolarHBondContact O-CB 3.08Å; Q156-K159 PolarHBondContact O-N 2.57Å; K159-R161 PolarHBondContact O-N 3.17Å; K159-G162 PolarHBondContact O-N 2.9Å; K159-G162 VanDerWaalsContact O-N 3.1Å; K159-F166 HydrophobicContact CB-CD1 3.81Å; K159-F166 HydrophobicContact CB-CE1 3.85Å; K159-F166 HydrophobicContact CB-CG 4.45Å; K159-F166 HydrophobicContact CD-CB 4.18Å; K159-F166 HydrophobicContact CD-CD1 4.26Å; K159-F166 HydrophobicContact CD-CG 4.1Å; K159-F166 HydrophobicContact CG-CB 4.36Å; K159-F166 HydrophobicContact CG-CD1 3.8Å; K159-F166 HydrophobicContact CG-CE1 4.37Å; K159-F166 HydrophobicContact CG-CG 4.14Å; K159-F166 WeakPolarHBondContact O-CE1 3.32Å
160	D	97.1	Very high	95.5	Very high	115 Å²	115	80 Å²	80	62%	0.615	41%	0.414	S	S	*	.	H	α-helix	trans	-61.6	-33.2	-179.1	-62.9	-19.2	0	0	0	112.5	Q156 K157	Q156-D160 PolarHBondContact NE2-OD1 3.32Å; Q156-D160 PolarHBondContact O-N 3.47Å; K157-D160 PolarHBondContact O-N 3.12Å
161	R	97.3	Very high	94.8	Very high	141 Å²	141	82.7 Å²	82.7	53%	0.532	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-2.9	179.1	-66.9	175.6	-171.2	-146.7	4.5	114.1	Y118 K157 A158 K159 Y163	Y118-R161 PolarHBondContact OH-NH1 2.8Å; K157-R161 WeakPolarHBondContact O-CB 3.1Å; K157-R161 VanDerWaalsContact O-CG 3.29Å; K157-R161 WeakPolarHBondContact O-CG 3.4Å; K157-R161 PolarHBondContact O-N 2.78Å; K157-R161 VanDerWaalsContact O-N 3.07Å; A158-R161 PolarHBondContact O-N 3.45Å; K159-R161 PolarHBondContact O-N 3.17Å; R161-Y163 HydrophobicContact CB-CD2 3.6Å; R161-Y163 HydrophobicContact CB-CE2 3.73Å
162	G	96.2	Very high	93.9	Very high	62 Å²	62	90.7 Å²	90.7	64%	0.639	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	22.2	-179.8	0	0	0	0	0	115.5	A158 K159	A158-G162 PolarHBondContact O-N 3.42Å; A158-G162 VanDerWaalsContact O-N 3.08Å; K159-G162 PolarHBondContact O-N 2.9Å; K159-G162 VanDerWaalsContact O-N 3.1Å
163	Y	97.1	Very high	92.8	Very high	109 Å²	109	94.1 Å²	94.1	43%	0.427	47%	0.468	S	S	.	.	S	Bend	trans	-76.6	-29.6	172.3	-74.8	-81.5	0	0	0	112.5	Y118 V121 A158 R161	Y118-Y163 AromaticContact CD2-CD2 3.85Å; Y118-Y163 HydrophobicContact CD2-CD2 3.85Å; Y118-Y163 AromaticContact CD2-CE2 3.66Å; Y118-Y163 HydrophobicContact CD2-CE2 3.66Å; Y118-Y163 HydrophobicContact CE2-CD2 4.33Å; Y118-Y163 AromaticContact CE2-CE2 3.67Å; Y118-Y163 HydrophobicContact CE2-CE2 3.67Å; V121-Y163 HydrophobicContact CG2-CD1 4.38Å; A158-Y163 PolarHBondContact O-N 3.16Å; R161-Y163 HydrophobicContact CB-CD2 3.6Å; R161-Y163 HydrophobicContact CB-CE2 3.73Å
164	I	95.8	Very high	91.8	Very high	9 Å²	9	95.5 Å²	95.5	5%	0.046	47%	0.474	C	S	.	.	S	Bend	trans	-118.9	132.9	179.7	-65.5	175.3	0	0	0	108.7	V121 L124 I128 A158	V121-I164 HydrophobicContact CG1-CG1 4.18Å; L124-I164 HydrophobicContact CB-CD1 3.93Å; L124-I164 HydrophobicContact CD1-CD1 4.12Å; I128-I164 HydrophobicContact CD1-CD1 3.97Å; I128-I164 HydrophobicContact CD1-CG2 3.93Å; A158-I164 HydrophobicContact CB-CB 4.43Å; A158-I164 HydrophobicContact CB-CD1 3.64Å; A158-I164 HydrophobicContact CB-CG1 3.89Å
165	T	93.6	Very high	90.7	Very high	138 Å²	138	96.7 Å²	96.7	85%	0.847	48%	0.477	S	S	*	.			trans	-72.9	137.6	174.7	53.9	0	0	0	0	111.1
166	F	93.8	Very high	89.6	Confident	99 Å²	99	99.1 Å²	99.1	43%	0.434	49%	0.494	S	S	.	.			trans	-149.6	158.8	175.1	69.6	-80	0	0	0	110.6	K159 V168	K159-F166 HydrophobicContact CB-CD1 3.81Å; K159-F166 HydrophobicContact CB-CE1 3.85Å; K159-F166 HydrophobicContact CB-CG 4.45Å; K159-F166 HydrophobicContact CD-CB 4.18Å; K159-F166 HydrophobicContact CD-CD1 4.26Å; K159-F166 HydrophobicContact CD-CG 4.1Å; K159-F166 HydrophobicContact CG-CB 4.36Å; K159-F166 HydrophobicContact CG-CD1 3.8Å; K159-F166 HydrophobicContact CG-CE1 4.37Å; K159-F166 HydrophobicContact CG-CG 4.14Å; K159-F166 WeakPolarHBondContact O-CE1 3.32Å; F166-V168 HydrophobicContact CD2-CG2 4.17Å; F166-V168 HydrophobicContact CE2-CG2 3.55Å; F166-V168 HydrophobicContact CZ-CG2 3.79Å; F166-V168 PolarHBondContact O-N 2.89Å
167	T	91.7	Very high	88.7	Confident	136 Å²	136	98.3 Å²	98.3	83%	0.834	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-75.8	121	177.4	-49.4	0	0	0	0	110.5
168	V	90.7	Very high	87.7	Confident	94 Å²	94	101.9 Å²	101.9	57%	0.57	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-95.8	120.7	174.2	-179.1	0	0	0	0	108.6	F166	F166-V168 HydrophobicContact CD2-CG2 4.17Å; F166-V168 HydrophobicContact CE2-CG2 3.55Å; F166-V168 HydrophobicContact CZ-CG2 3.79Å; F166-V168 PolarHBondContact O-N 2.89Å
169	P	88.4	Confident	86.8	Confident	103 Å²	103	104.8 Å²	104.8	67%	0.669	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-70.2	134.4	178.7	28.5	-33.8	0	0	0	110.8
170	F	86	Confident	85.8	Confident	202 Å²	202	108.9 Å²	108.9	89%	0.886	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-70.9	135	171.8	-69.5	-78	0	0	0	110.7
171	R	83.6	Confident	84.7	Confident	193 Å²	193	106.7 Å²	106.7	73%	0.728	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-99.2	124.2	173.8	-69.1	-177.8	179.5	169.1	0.1	109.5	Y173	R171-Y173 HydrophobicContact CB-CD2 4.5Å; R171-Y173 HydrophobicContact CB-CE2 3.79Å; R171-Y173 WeakPolarHBondContact CD-OH 3.5Å
172	K	77.2	Confident	83.4	Confident	168 Å²	168	101.4 Å²	101.4	73%	0.73	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-90.1	122.7	171.5	-61.1	-176.7	-178.9	-177.3	0	108.2	V191	K172-V191 PolarHBondContact NZ-O 2.92Å
173	Y	74.9	Confident	82.1	Confident	108 Å²	108	100.9 Å²	100.9	42%	0.424	50%	0.503	S	S	.	.			trans	-104.9	136.8	177.3	-64.7	-83.6	0	0	0	110.2	R171 Y175	R171-Y173 HydrophobicContact CB-CD2 4.5Å; R171-Y173 HydrophobicContact CB-CE2 3.79Å; R171-Y173 WeakPolarHBondContact CD-OH 3.5Å; Y173-Y175 WeakPolarHBondContact O-CD2 3.37Å; Y173-Y175 PolarHBondContact O-N 3.16Å
174	N	77.5	Confident	80.6	Confident	92 Å²	92	100.7 Å²	100.7	49%	0.492	51%	0.514	S	S	.	.			trans	-83.3	99.1	164.8	-173.4	2.3	0	0	0	109.1	S176 S177	N174-S176 PolarHBondContact ND2-OG 3.3Å; N174-S176 PolarHBondContact O-N 3.41Å; N174-S176 PolarHBondContact OD1-N 3.28Å; N174-S176 PolarHBondContact OD1-OG 3.1Å; N174-S177 PolarHBondContact O-N 3.05Å; N174-S177 PolarHBondContact O-OG 3.36Å
175	Y	74.9	Confident	78.9	Confident	45 Å²	45	108.9 Å²	108.9	18%	0.176	55%	0.553	C	S	.	*	G	3₁₀ helix	trans	-62.9	-22.6	-177.8	-70.7	-87.2	0	0	0	113.7	Y173 S177 Y178 Y179 W188 Y209 P210	Y173-Y175 WeakPolarHBondContact O-CD2 3.37Å; Y173-Y175 PolarHBondContact O-N 3.16Å; Y175-S177 PolarHBondContact O-N 3.43Å; Y175-S177 VanDerWaalsContact O-N 3.16Å; Y175-Y178 PolarHBondContact O-N 2.95Å; Y175-Y179 HydrophobicContact CD1-CD2 4.16Å; Y175-Y179 AromaticContact CD1-CE2 3.94Å; Y175-Y179 HydrophobicContact CD1-CE2 3.94Å; Y175-Y179 WeakPolarHBondContact O-CD2 3.39Å; Y175-Y179 PolarHBondContact O-N 3.44Å; Y175-W188 AromaticContact CD2-CE2 3.96Å; Y175-W188 HydrophobicContact CD2-CH2 4.45Å; Y175-W188 AromaticContact CD2-CZ2 3.43Å; Y175-W188 HydrophobicContact CD2-CZ2 3.43Å; Y175-W188 VanDerWaalsContact CD2-CZ2 3.43Å; Y175-W188 AromaticContact CD2-NE1 3.96Å; Y175-W188 HydrophobicContact CE2-CH2 4.11Å; Y175-W188 AromaticContact CE2-CZ2 3.47Å; Y175-W188 HydrophobicContact CE2-CZ2 3.47Å; Y175-W188 VanDerWaalsContact CE2-CZ2 3.47Å; Y175-Y209 HydrophobicContact CE1-CD1 4.12Å; Y175-Y209 AromaticContact CE2-CD1 3.64Å; Y175-Y209 HydrophobicContact CE2-CD1 3.64Å; Y175-Y209 AromaticContact CE2-CE1 3.83Å; Y175-Y209 HydrophobicContact CE2-CE1 3.83Å; Y175-Y209 AromaticContact CZ-CD1 3.37Å; Y175-Y209 AromaticContact CZ-CE1 3.82Å; Y175-Y209 WeakPolarHBondContact OH-CD1 3.38Å; Y175-Y209 VanDerWaalsContact OH-CE1 3.32Å; Y175-Y209 WeakPolarHBondContact OH-CE1 3.46Å; Y175-P210 HydrophobicContact CD1-CG 4.22Å
176	S	74.8	Confident	77.2	Confident	51 Å²	51	108.7 Å²	108.7	36%	0.357	54%	0.54	S	S	.	.	G	3₁₀ helix	trans	-63.3	-21.9	179.4	78	0	0	0	0	113.4	N174 Y178	N174-S176 PolarHBondContact ND2-OG 3.3Å; N174-S176 PolarHBondContact O-N 3.41Å; N174-S176 PolarHBondContact OD1-N 3.28Å; N174-S176 PolarHBondContact OD1-OG 3.1Å; S176-Y178 VanDerWaalsContact C-N 3.32Å
177	S	78.5	Confident	75.2	Confident	83 Å²	83	112.2 Å²	112.2	58%	0.58	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-76	-20	176.1	61.1	0	0	0	0	113.6	N174 Y175	N174-S177 PolarHBondContact O-N 3.05Å; N174-S177 PolarHBondContact O-OG 3.36Å; Y175-S177 PolarHBondContact O-N 3.43Å; Y175-S177 VanDerWaalsContact O-N 3.16Å
178	Y	77.4	Confident	73.4	Confident	153 Å²	153	110.3 Å²	110.3	60%	0.6	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	-27.4	-179.1	-58.8	-80.7	0	0	0	112.1	Y175 S176	Y175-Y178 PolarHBondContact O-N 2.95Å; S176-Y178 VanDerWaalsContact C-N 3.32Å
179	Y	78.6	Confident	71.5	Confident	61 Å²	61	114.3 Å²	114.3	24%	0.239	55%	0.545	C	S	.	.			trans	-124.9	92.5	-175.8	-58.4	-76	0	0	0	109.5	Y175 W181 W182 P210 V211	Y175-Y179 HydrophobicContact CD1-CD2 4.16Å; Y175-Y179 AromaticContact CD1-CE2 3.94Å; Y175-Y179 HydrophobicContact CD1-CE2 3.94Å; Y175-Y179 WeakPolarHBondContact O-CD2 3.39Å; Y175-Y179 PolarHBondContact O-N 3.44Å; Y179-W181 AromaticContact CD1-CE2 3.87Å; Y179-W181 AromaticContact CD1-CZ2 3.6Å; Y179-W181 HydrophobicContact CD1-CZ2 3.6Å; Y179-W181 AromaticContact CD1-NE1 3.75Å; Y179-W181 HydrophobicContact CE1-CZ2 4.36Å; Y179-W181 HydrophobicContact CG-CZ2 4.04Å; Y179-W181 PolarHBondContact O-N 3.36Å; Y179-W181 VanDerWaalsContact O-N 3.15Å; Y179-W182 VanDerWaalsContact O-CB 3.23Å; Y179-W182 WeakPolarHBondContact O-CB 3.3Å; Y179-W182 PolarHBondContact O-N 3.4Å; Y179-P210 HydrophobicContact CD2-CG 4.02Å; Y179-P210 HydrophobicContact CE2-CG 4.22Å; Y179-P210 HydrophobicContact CG-CG 4.45Å; Y179-P210 VanDerWaalsContact CZ-O 3.31Å; Y179-P210 PolarHBondContact OH-O 2.85Å; Y179-V211 PolarHBondContact OH-O 2.85Å
180	P	77.5	Confident	69.6	Low	124 Å²	124	114.1 Å²	114.1	81%	0.805	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-23.5	-177.4	-25.8	35.1	0	0	0	114.6	W182	P180-W182 VanDerWaalsContact C-N 3.34Å
181	W	72.9	Confident	68.1	Low	69 Å²	69	108.8 Å²	108.8	26%	0.261	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-7.7	176.9	55.7	-92.7	0	0	0	113.1	Y179 P183 P210 H212 H213 P214	Y179-W181 AromaticContact CD1-CE2 3.87Å; Y179-W181 AromaticContact CD1-CZ2 3.6Å; Y179-W181 HydrophobicContact CD1-CZ2 3.6Å; Y179-W181 AromaticContact CD1-NE1 3.75Å; Y179-W181 HydrophobicContact CE1-CZ2 4.36Å; Y179-W181 HydrophobicContact CG-CZ2 4.04Å; Y179-W181 PolarHBondContact O-N 3.36Å; Y179-W181 VanDerWaalsContact O-N 3.15Å; W181-P183 WeakPolarHBondContact O-CD 3.39Å; W181-P210 HydrophobicContact CH2-CB 3.32Å; W181-P210 HydrophobicContact CH2-CG 4.46Å; W181-P210 HydrophobicContact CZ2-CB 3.88Å; W181-P210 HydrophobicContact CZ3-CB 4.19Å; W181-H212 WeakPolarHBondContact CH2-O 3.33Å; W181-H212 VanDerWaalsContact CZ2-C 3.48Å; W181-H212 WeakPolarHBondContact CZ2-O 3.32Å; W181-H213 AromaticContact CD1-CD2 3.11Å; W181-H213 AromaticContact CD1-CG 3.92Å; W181-H213 AromaticContact CD1-NE2 3.83Å; W181-H213 AromaticContact CD2-CD2 3.92Å; W181-H213 AromaticContact CG-CD2 3.33Å; W181-H213 AromaticContact CG-NE2 3.64Å; W181-H213 VanDerWaalsContact CZ2-CA 3.42Å; W181-H213 HydrophobicContact CZ2-CB 4.34Å; W181-H213 AromaticContact NE1-CD2 3.53Å; W181-H213 AromaticContact NE1-CG 3.91Å; W181-P214 VanDerWaalsContact CE3-CD 3.49Å; W181-P214 HydrophobicContact CE3-CG 4.18Å; W181-P214 HydrophobicContact CZ3-CG 4.11Å
182	W	69.3	Low	66.4	Low	31 Å²	31	107.3 Å²	107.3	12%	0.117	53%	0.531	C	S	.	.	S	Bend	trans	-69.4	122.1	179	-174.7	-99.9	0	0	0	109.7	Y179 P180 K186 P210	Y179-W182 VanDerWaalsContact O-CB 3.23Å; Y179-W182 WeakPolarHBondContact O-CB 3.3Å; Y179-W182 PolarHBondContact O-N 3.4Å; P180-W182 VanDerWaalsContact C-N 3.34Å; W182-K186 HydrophobicContact CH2-CD 4.37Å; W182-K186 HydrophobicContact CZ2-CB 4.21Å; W182-K186 HydrophobicContact CZ2-CD 4.12Å; W182-P210 HydrophobicContact CD2-CG 4.07Å; W182-P210 HydrophobicContact CE3-CB 3.7Å; W182-P210 HydrophobicContact CE3-CG 3.49Å; W182-P210 VanDerWaalsContact CE3-CG 3.49Å; W182-P210 HydrophobicContact CH2-CG 4.15Å; W182-P210 HydrophobicContact CZ3-CB 3.63Å; W182-P210 HydrophobicContact CZ3-CG 3.53Å
183	P	69.2	Low	65.1	Low	51 Å²	51	106.7 Å²	106.7	33%	0.331	54%	0.536	S	S	.	.			trans	-61.2	129.3	-173.6	-13.2	21	0	0	0	110.6	W181 E185 K186	W181-P183 WeakPolarHBondContact O-CD 3.39Å; P183-E185 PolarHBondContact O-N 3.28Å; P183-E185 VanDerWaalsContact O-N 3.15Å; P183-K186 HydrophobicContact CG-CD 4.49Å; P183-K186 PolarHBondContact O-N 2.75Å
184	P	65.5	Low	64	Low	104 Å²	104	109.1 Å²	109.1	68%	0.675	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-19.5	177.3	26.7	-33.6	0	0	0	112.1	K186 K187	P184-K186 VanDerWaalsContact C-N 3.33Å; P184-K187 WeakPolarHBondContact O-CB 3.23Å; P184-K187 PolarHBondContact O-N 3.23Å
185	E	61.8	Low	62.6	Low	182 Å²	182	112.4 Å²	112.4	85%	0.85	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-22.7	-179.4	-63	173.2	-163.1	0	0	113.2	P183 K187	P183-E185 PolarHBondContact O-N 3.28Å; P183-E185 VanDerWaalsContact O-N 3.15Å; E185-K187 PolarHBondContact O-N 2.88Å; E185-K187 VanDerWaalsContact O-N 3.11Å
186	K	57	Low	61.3	Low	133 Å²	133	120 Å²	120	58%	0.578	60%	0.601	S	S	*	*	S	Bend	trans	-84.7	38.7	169.4	-66.7	-175.4	-179.2	178.5	0	111.2	W182 P183 P184 W188	W182-K186 HydrophobicContact CH2-CD 4.37Å; W182-K186 HydrophobicContact CZ2-CB 4.21Å; W182-K186 HydrophobicContact CZ2-CD 4.12Å; P183-K186 HydrophobicContact CG-CD 4.49Å; P183-K186 PolarHBondContact O-N 2.75Å; P184-K186 VanDerWaalsContact C-N 3.33Å; K186-W188 PolarHBondContact O-N 2.92Å
187	K	52.6	Low	60.3	Low	174 Å²	174	124.6 Å²	124.6	76%	0.757	62%	0.621	S	S	*	*			trans	-68	119.5	174.6	-144.3	172.2	-179.1	179.1	0	107.1	P184 E185 Q189	P184-K187 WeakPolarHBondContact O-CB 3.23Å; P184-K187 PolarHBondContact O-N 3.23Å; E185-K187 PolarHBondContact O-N 2.88Å; E185-K187 VanDerWaalsContact O-N 3.11Å; K187-Q189 PolarHBondContact O-N 3.15Å
188	W	52.2	Low	58.8	Low	95 Å²	95	129.1 Å²	129.1	36%	0.36	63%	0.633	S	S	.	*			trans	-40.6	115.7	177.5	-53.4	83.3	0	0	0	110.6	Y175 K186 S190 I207 Y209	Y175-W188 AromaticContact CD2-CE2 3.96Å; Y175-W188 HydrophobicContact CD2-CH2 4.45Å; Y175-W188 AromaticContact CD2-CZ2 3.43Å; Y175-W188 HydrophobicContact CD2-CZ2 3.43Å; Y175-W188 VanDerWaalsContact CD2-CZ2 3.43Å; Y175-W188 AromaticContact CD2-NE1 3.96Å; Y175-W188 HydrophobicContact CE2-CH2 4.11Å; Y175-W188 AromaticContact CE2-CZ2 3.47Å; Y175-W188 HydrophobicContact CE2-CZ2 3.47Å; Y175-W188 VanDerWaalsContact CE2-CZ2 3.47Å; K186-W188 PolarHBondContact O-N 2.92Å; W188-S190 PolarHBondContact O-N 3.48Å; W188-I207 HydrophobicContact CE3-CD1 4.01Å; W188-I207 HydrophobicContact CH2-CB 4.35Å; W188-I207 HydrophobicContact CH2-CD1 4.35Å; W188-I207 HydrophobicContact CH2-CG2 3.48Å; W188-I207 VanDerWaalsContact CH2-CG2 3.48Å; W188-I207 HydrophobicContact CZ2-CG2 4.45Å; W188-I207 HydrophobicContact CZ3-CB 4.25Å; W188-I207 HydrophobicContact CZ3-CD1 3.45Å; W188-I207 VanDerWaalsContact CZ3-CD1 3.45Å; W188-I207 HydrophobicContact CZ3-CG1 4.4Å; W188-I207 HydrophobicContact CZ3-CG2 3.73Å; W188-Y209 AromaticContact CH2-CD1 3.85Å; W188-Y209 HydrophobicContact CH2-CD1 3.85Å; W188-Y209 AromaticContact CH2-CE1 3.31Å; W188-Y209 HydrophobicContact CH2-CE1 3.31Å; W188-Y209 HydrophobicContact CZ2-CD1 4.34Å; W188-Y209 HydrophobicContact CZ2-CE1 4.08Å; W188-Y209 HydrophobicContact CZ3-CE1 4.09Å
189	Q	51.1	Low	57.1	Low	179 Å²	179	129 Å²	129	84%	0.836	65%	0.647	S	S	*	*			trans	-61.9	126.4	155	-77	173.5	-16.1	0	0	105.4	K187 V191	K187-Q189 PolarHBondContact O-N 3.15Å; Q189-V191 VanDerWaalsContact C-N 3.33Å; Q189-V191 PolarHBondContact O-N 3.49Å
190	S	48.1	Very low	55.5	Low	99 Å²	99	133.7 Å²	133.7	69%	0.692	68%	0.676	S	S	*	*			trans	-57.1	102.1	172.5	-61.9	0	0	0	0	107.3	W188 E192	W188-S190 PolarHBondContact O-N 3.48Å; S190-E192 PolarHBondContact O-N 3.1Å
191	V	54.8	Low	53.8	Low	89 Å²	89	136.5 Å²	136.5	54%	0.539	68%	0.678	S	S	.	*			trans	-68.3	97.1	156.1	-173.6	0	0	0	0	103.1	K172 Q189 E194	K172-V191 PolarHBondContact NZ-O 2.92Å; Q189-V191 VanDerWaalsContact C-N 3.33Å; Q189-V191 PolarHBondContact O-N 3.49Å; V191-E194 HydrophobicContact CG1-CG 3.93Å
192	E	48.8	Very low	52.3	Low	162 Å²	162	144.6 Å²	144.6	76%	0.757	71%	0.709	S	S	*	*			trans	-53.2	143.2	158.7	-66	177.6	172.5	0	0	106.3	S190 E194	S190-E192 PolarHBondContact O-N 3.1Å; E192-E194 PolarHBondContact O-N 3.31Å
193	D	50.3	Low	51	Low	156 Å²	156	152.1 Å²	152.1	83%	0.834	75%	0.745	S	S	*	*			trans	-54	104.1	-177.1	-62.2	-48.4	0	0	0	108.2	E195	D193-E195 PolarHBondContact O-N 2.8Å
194	E	50.4	Low	49.7	Very low	159 Å²	159	152 Å²	152	74%	0.743	75%	0.745	S	S	*	*			trans	-54.2	128.5	-176.5	-74	-77.2	166.9	0	0	108.5	V191 E192 E196	V191-E194 HydrophobicContact CG1-CG 3.93Å; E192-E194 PolarHBondContact O-N 3.31Å; E194-E196 PolarHBondContact O-N 2.72Å
195	E	49.9	Very low	48.3	Very low	160 Å²	160	152 Å²	152	75%	0.748	75%	0.748	S	S	*	*			trans	-52.9	132.1	168.8	-75.4	-177.5	153.2	0	0	108.3	D193 L197	D193-E195 PolarHBondContact O-N 2.8Å; E195-L197 VanDerWaalsContact C-N 3.28Å; E195-L197 PolarHBondContact O-N 3.43Å
196	E	47.6	Very low	47.8	Very low	205 Å²	205	152.7 Å²	152.7	96%	0.958	75%	0.745	S	S	*	*			trans	-60.8	88.2	179.9	-135.4	176	-170.9	0	0	109	E194	E194-E196 PolarHBondContact O-N 2.72Å
197	L	52.9	Low	47.5	Very low	147 Å²	147	150.3 Å²	150.3	77%	0.77	74%	0.737	S	S	*	*			trans	-111.5	143.8	178.9	-77.8	175.8	0	0	0	112.1	E195	E195-L197 VanDerWaalsContact C-N 3.28Å; E195-L197 PolarHBondContact O-N 3.43Å
198	E	46.7	Very low	47.7	Very low	178 Å²	178	148 Å²	148	83%	0.832	73%	0.732	S	S	*	*			trans	-55.1	142.7	-164.9	-70.8	175.2	139.5	0	0	114.4	L200	E198-L200 PolarHBondContact O-N 3.47Å
199	V	42.5	Very low	48	Very low	150 Å²	150	149.3 Å²	149.3	91%	0.909	74%	0.738	S	S	*	*			trans	-27	89.4	170.6	-170.5	0	0	0	0	114.1
200	L	44.3	Very low	48.4	Very low	160 Å²	160	141.1 Å²	141.1	84%	0.838	70%	0.7	S	S	*	*			trans	-123.2	108.2	157.4	-85.1	167.1	0	0	0	107.8	E198 R202	E198-L200 PolarHBondContact O-N 3.47Å; L200-R202 PolarHBondContact O-N 2.87Å
201	E	42.7	Very low	48.9	Very low	184 Å²	184	141.2 Å²	141.2	86%	0.86	70%	0.696	S	S	*	*			trans	15.9	88.2	166.4	-63.6	-178	166.8	0	0	115.8	Q203	E201-Q203 VanDerWaalsContact C-N 3.28Å; E201-Q203 PolarHBondContact O-N 3Å
202	R	40.8	Very low	49	Very low	239 Å²	239	141.3 Å²	141.3	90%	0.902	69%	0.69	S	S	*	*			trans	-64.1	85.9	174.8	-148.7	177.4	-159.8	127.3	1.8	109.4	L200 S204	L200-R202 PolarHBondContact O-N 2.87Å; R202-S204 PolarHBondContact O-N 3.19Å
203	Q	41.4	Very low	49.5	Very low	188 Å²	188	136.6 Å²	136.6	88%	0.879	67%	0.668	S	S	*	*			trans	-61.8	87.7	147.3	-83.4	-173.3	-10.2	0	0	105.3	E201 S205	E201-Q203 VanDerWaalsContact C-N 3.28Å; E201-Q203 PolarHBondContact O-N 3Å; Q203-S205 PolarHBondContact O-N 2.84Å
204	S	42.3	Very low	50.1	Low	48 Å²	48	131.2 Å²	131.2	34%	0.336	64%	0.642	S	S	.	*			trans	-58.5	108.6	175.6	173.2	0	0	0	0	107.5	R202 Y206	R202-S204 PolarHBondContact O-N 3.19Å; S204-Y206 PolarHBondContact O-N 2.79Å; S204-Y206 WeakPolarHBondContact OG-CD1 3.48Å; S204-Y206 WeakPolarHBondContact OG-CD2 3.42Å; S204-Y206 WeakPolarHBondContact OG-CE1 3.32Å; S204-Y206 WeakPolarHBondContact OG-CE2 3.39Å; S204-Y206 VanDerWaalsContact OG-CG 3.25Å; S204-Y206 PolarHBondContact OG-N 3.14Å
205	S	36.2	Very low	50.8	Low	106 Å²	106	129.9 Å²	129.9	74%	0.741	64%	0.64	S	S	*	*			trans	-68.3	72.8	159.5	48.8	0	0	0	0	107.1	Q203 I207	Q203-S205 PolarHBondContact O-N 2.84Å; S205-I207 VanDerWaalsContact C-N 3.29Å; S205-I207 PolarHBondContact O-N 2.83Å
206	Y	51.1	Low	51.5	Low	196 Å²	196	126.6 Å²	126.6	77%	0.769	63%	0.631	S	S	*	*			trans	-60.6	101.5	165.5	-70.8	-70.8	0	0	0	106.4	S204 I208	S204-Y206 PolarHBondContact O-N 2.79Å; S204-Y206 WeakPolarHBondContact OG-CD1 3.48Å; S204-Y206 WeakPolarHBondContact OG-CD2 3.42Å; S204-Y206 WeakPolarHBondContact OG-CE1 3.32Å; S204-Y206 WeakPolarHBondContact OG-CE2 3.39Å; S204-Y206 VanDerWaalsContact OG-CG 3.25Å; S204-Y206 PolarHBondContact OG-N 3.14Å; Y206-I208 PolarHBondContact O-N 2.93Å
207	I	51.8	Low	52	Low	82 Å²	82	121.5 Å²	121.5	42%	0.421	61%	0.606	S	S	.	*			trans	-64.5	106.3	168.1	-61.5	169.9	0	0	0	105.3	W188 S205 Y209	W188-I207 HydrophobicContact CE3-CD1 4.01Å; W188-I207 HydrophobicContact CH2-CB 4.35Å; W188-I207 HydrophobicContact CH2-CD1 4.35Å; W188-I207 HydrophobicContact CH2-CG2 3.48Å; W188-I207 VanDerWaalsContact CH2-CG2 3.48Å; W188-I207 HydrophobicContact CZ2-CG2 4.45Å; W188-I207 HydrophobicContact CZ3-CB 4.25Å; W188-I207 HydrophobicContact CZ3-CD1 3.45Å; W188-I207 VanDerWaalsContact CZ3-CD1 3.45Å; W188-I207 HydrophobicContact CZ3-CG1 4.4Å; W188-I207 HydrophobicContact CZ3-CG2 3.73Å; S205-I207 VanDerWaalsContact C-N 3.29Å; S205-I207 PolarHBondContact O-N 2.83Å; I207-Y209 WeakPolarHBondContact O-CD2 3.46Å; I207-Y209 WeakPolarHBondContact O-CE2 3.25Å; I207-Y209 PolarHBondContact O-N 3.19Å
208	I	57.1	Low	52.3	Low	127 Å²	127	118.7 Å²	118.7	65%	0.651	60%	0.596	S	S	*	*			trans	-66.8	105.2	177.3	-59.1	173.1	0	0	0	106.9	Y206	Y206-I208 PolarHBondContact O-N 2.93Å
209	Y	58	Low	52.9	Low	121 Å²	121	114.7 Å²	114.7	48%	0.475	58%	0.581	S	S	.	*			trans	-71.2	136.4	176.4	-61.5	-82.3	0	0	0	110	Y175 W188 I207 V211	Y175-Y209 HydrophobicContact CE1-CD1 4.12Å; Y175-Y209 AromaticContact CE2-CD1 3.64Å; Y175-Y209 HydrophobicContact CE2-CD1 3.64Å; Y175-Y209 AromaticContact CE2-CE1 3.83Å; Y175-Y209 HydrophobicContact CE2-CE1 3.83Å; Y175-Y209 AromaticContact CZ-CD1 3.37Å; Y175-Y209 AromaticContact CZ-CE1 3.82Å; Y175-Y209 WeakPolarHBondContact OH-CD1 3.38Å; Y175-Y209 VanDerWaalsContact OH-CE1 3.32Å; Y175-Y209 WeakPolarHBondContact OH-CE1 3.46Å; W188-Y209 AromaticContact CH2-CD1 3.85Å; W188-Y209 HydrophobicContact CH2-CD1 3.85Å; W188-Y209 AromaticContact CH2-CE1 3.31Å; W188-Y209 HydrophobicContact CH2-CE1 3.31Å; W188-Y209 HydrophobicContact CZ2-CD1 4.34Å; W188-Y209 HydrophobicContact CZ2-CE1 4.08Å; W188-Y209 HydrophobicContact CZ3-CE1 4.09Å; I207-Y209 WeakPolarHBondContact O-CD2 3.46Å; I207-Y209 WeakPolarHBondContact O-CE2 3.25Å; I207-Y209 PolarHBondContact O-N 3.19Å; Y209-V211 PolarHBondContact O-N 3.45Å; Y209-V211 VanDerWaalsContact O-N 3.09Å
210	P	59	Low	53.5	Low	7 Å²	7	110.1 Å²	110.1	5%	0.045	56%	0.556	C	S	.	*			trans	-67.5	110	176.7	28.1	-33.6	0	0	0	109.6	Y175 Y179 W181 W182	Y175-P210 HydrophobicContact CD1-CG 4.22Å; Y179-P210 HydrophobicContact CD2-CG 4.02Å; Y179-P210 HydrophobicContact CE2-CG 4.22Å; Y179-P210 HydrophobicContact CG-CG 4.45Å; Y179-P210 VanDerWaalsContact CZ-O 3.31Å; Y179-P210 PolarHBondContact OH-O 2.85Å; W181-P210 HydrophobicContact CH2-CB 3.32Å; W181-P210 HydrophobicContact CH2-CG 4.46Å; W181-P210 HydrophobicContact CZ2-CB 3.88Å; W181-P210 HydrophobicContact CZ3-CB 4.19Å; W182-P210 HydrophobicContact CD2-CG 4.07Å; W182-P210 HydrophobicContact CE3-CB 3.7Å; W182-P210 HydrophobicContact CE3-CG 3.49Å; W182-P210 VanDerWaalsContact CE3-CG 3.49Å; W182-P210 HydrophobicContact CH2-CG 4.15Å; W182-P210 HydrophobicContact CZ3-CB 3.63Å; W182-P210 HydrophobicContact CZ3-CG 3.53Å
211	V	58.6	Low	53.8	Low	102 Å²	102	107.2 Å²	107.2	62%	0.618	54%	0.539	S	S	*	.	S	Bend	trans	-82.1	-36.3	172.4	-167.5	0	0	0	0	109.9	Y179 Y209	Y179-V211 PolarHBondContact OH-O 2.85Å; Y209-V211 PolarHBondContact O-N 3.45Å; Y209-V211 VanDerWaalsContact O-N 3.09Å
212	H	56.9	Low	54.3	Low	90 Å²	90	105.6 Å²	105.6	42%	0.417	53%	0.525	S	S	.	.	S	Bend	trans	-146.1	164.6	-177.9	-58.1	-65.5	0	0	0	111.6	W181 F217	W181-H212 WeakPolarHBondContact CH2-O 3.33Å; W181-H212 VanDerWaalsContact CZ2-C 3.48Å; W181-H212 WeakPolarHBondContact CZ2-O 3.32Å; H212-F217 HydrophobicContact CB-CD2 3.46Å; H212-F217 VanDerWaalsContact CB-CD2 3.46Å; H212-F217 HydrophobicContact CB-CE2 3.98Å; H212-F217 AromaticContact CD2-CD2 3.57Å; H212-F217 AromaticContact CD2-CE2 3.68Å; H212-F217 AromaticContact CG-CD2 3.49Å; H212-F217 VanDerWaalsContact CG-CD2 3.49Å; H212-F217 AromaticContact CG-CE2 3.58Å; H212-F217 AromaticContact ND1-CE2 3.93Å
213	H	59.1	Low	54.8	Low	63 Å²	63	100.5 Å²	100.5	29%	0.292	52%	0.523	S	S	.	.			trans	-56.8	133.7	171.2	-165	-67.1	0	0	0	109.4	W181 D215 T216 F217	W181-H213 AromaticContact CD1-CD2 3.11Å; W181-H213 AromaticContact CD1-CG 3.92Å; W181-H213 AromaticContact CD1-NE2 3.83Å; W181-H213 AromaticContact CD2-CD2 3.92Å; W181-H213 AromaticContact CG-CD2 3.33Å; W181-H213 AromaticContact CG-NE2 3.64Å; W181-H213 VanDerWaalsContact CZ2-CA 3.42Å; W181-H213 HydrophobicContact CZ2-CB 4.34Å; W181-H213 AromaticContact NE1-CD2 3.53Å; W181-H213 AromaticContact NE1-CG 3.91Å; H213-D215 IonicContact CE1-OD1 3.09Å; H213-D215 IonicContact CE1-OD2 3.78Å; H213-D215 PolarHBondContact CE1-OD2 2.82Å; H213-D215 WeakPolarHBondContact ND1-CB 2.94Å; H213-D215 PolarHBondContact ND1-N 3.2Å; H213-D215 IonicContact ND1-OD1 3.48Å; H213-D215 IonicContact ND1-OD2 3.79Å; H213-D215 PolarHBondContact O-N 2.78Å; H213-D215 VanDerWaalsContact O-N 3.14Å; H213-T216 WeakPolarHBondContact CB-OG1 3.49Å; H213-T216 PolarHBondContact O-N 3.28Å; H213-F217 PolarHBondContact O-N 3.17Å
214	P	63.2	Low	55.5	Low	43 Å²	43	95.8 Å²	95.8	28%	0.279	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-38.8	-178.6	15.3	-29.1	0	0	0	112.1	W181 T216 F217 P218 M221	W181-P214 VanDerWaalsContact CE3-CD 3.49Å; W181-P214 HydrophobicContact CE3-CG 4.18Å; W181-P214 HydrophobicContact CZ3-CG 4.11Å; P214-T216 VanDerWaalsContact C-N 3.33Å; P214-T216 PolarHBondContact O-N 2.88Å; P214-F217 CarbonylContact O-C 3.32Å; P214-F217 PolarHBondContact O-N 3.13Å; P214-P218 WeakPolarHBondContact O-CA 3.44Å; P214-M221 HydrophobicContact CB-CE 3.92Å
215	D	66.1	Low	55.9	Low	131 Å²	131	98.4 Å²	98.4	70%	0.701	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-24.9	177.6	-53.5	-2.2	0	0	0	114.7	H213	H213-D215 IonicContact CE1-OD1 3.09Å; H213-D215 IonicContact CE1-OD2 3.78Å; H213-D215 PolarHBondContact CE1-OD2 2.82Å; H213-D215 WeakPolarHBondContact ND1-CB 2.94Å; H213-D215 PolarHBondContact ND1-N 3.2Å; H213-D215 IonicContact ND1-OD1 3.48Å; H213-D215 IonicContact ND1-OD2 3.79Å; H213-D215 PolarHBondContact O-N 2.78Å; H213-D215 VanDerWaalsContact O-N 3.14Å
216	T	64	Low	56.7	Low	91 Å²	91	97.4 Å²	97.4	56%	0.558	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-30.4	179.5	-43.4	0	0	0	0	111.7	H213 P214	H213-T216 WeakPolarHBondContact CB-OG1 3.49Å; H213-T216 PolarHBondContact O-N 3.28Å; P214-T216 VanDerWaalsContact C-N 3.33Å; P214-T216 PolarHBondContact O-N 2.88Å
217	F	58.7	Low	56.7	Low	99 Å²	99	91.7 Å²	91.7	43%	0.434	51%	0.507	S	S	.	.			trans	-141.8	73.4	179.9	-64	-83.1	0	0	0	110.9	H212 H213 P214 D219 S220	H212-F217 HydrophobicContact CB-CD2 3.46Å; H212-F217 VanDerWaalsContact CB-CD2 3.46Å; H212-F217 HydrophobicContact CB-CE2 3.98Å; H212-F217 AromaticContact CD2-CD2 3.57Å; H212-F217 AromaticContact CD2-CE2 3.68Å; H212-F217 AromaticContact CG-CD2 3.49Å; H212-F217 VanDerWaalsContact CG-CD2 3.49Å; H212-F217 AromaticContact CG-CE2 3.58Å; H212-F217 AromaticContact ND1-CE2 3.93Å; H213-F217 PolarHBondContact O-N 3.17Å; P214-F217 CarbonylContact O-C 3.32Å; P214-F217 PolarHBondContact O-N 3.13Å; F217-D219 PolarHBondContact O-N 3Å; F217-D219 VanDerWaalsContact O-N 3.14Å; F217-S220 WeakPolarHBondContact O-CB 3.47Å; F217-S220 PolarHBondContact O-N 3.18Å; F217-S220 PolarHBondContact O-OG 3.16Å
218	P	59.2	Low	56.5	Low	88 Å²	88	96.7 Å²	96.7	57%	0.571	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-60.6	-26.9	-178	23.3	-33.6	0	0	0	112.7	P214 S220	P214-P218 WeakPolarHBondContact O-CA 3.44Å; P218-S220 VanDerWaalsContact C-N 3.35Å
219	D	57.5	Low	56.2	Low	94 Å²	94	98.6 Å²	98.6	50%	0.503	53%	0.53	S	S	.	.	G	3₁₀ helix	trans	-78.4	-16.5	179.8	-66.3	-33.4	0	0	0	113.9	F217 M221 R222	F217-D219 PolarHBondContact O-N 3Å; F217-D219 VanDerWaalsContact O-N 3.14Å; D219-M221 PolarHBondContact O-N 2.83Å; D219-R222 PolarHBondContact O-N 3.14Å; D219-R222 IonicContact OD1-CZ 3.86Å; D219-R222 IonicContact OD1-NE 3.54Å; D219-R222 IonicContact OD1-NH2 3.86Å
220	S	55.2	Low	55.9	Low	54 Å²	54	98.8 Å²	98.8	38%	0.378	54%	0.544	S	S	.	.	G	3₁₀ helix	trans	-71	-13.3	179.5	68.2	0	0	0	0	113.7	F217 P218	F217-S220 WeakPolarHBondContact O-CB 3.47Å; F217-S220 PolarHBondContact O-N 3.18Å; F217-S220 PolarHBondContact O-OG 3.16Å; P218-S220 VanDerWaalsContact C-N 3.35Å
221	M	51.4	Low	55.3	Low	99 Å²	99	104.1 Å²	104.1	49%	0.488	58%	0.576	S	S	.	*	G	3₁₀ helix	trans	-99.4	1.5	180	-63.6	-137.4	-177	0	0	113.9	P214 D219 P223	P214-M221 HydrophobicContact CB-CE 3.92Å; D219-M221 PolarHBondContact O-N 2.83Å; M221-P223 WeakPolarHBondContact O-CD 3.42Å
222	R	54	Low	54.4	Low	149 Å²	149	105 Å²	105	56%	0.562	58%	0.584	S	S	*	*	S	Bend	trans	-79.7	119.8	178.8	-69	-174.1	-175.7	-154.7	4.4	110.7	D219 G224 L225	D219-R222 PolarHBondContact O-N 3.14Å; D219-R222 IonicContact OD1-CZ 3.86Å; D219-R222 IonicContact OD1-NE 3.54Å; D219-R222 IonicContact OD1-NH2 3.86Å; R222-G224 PolarHBondContact O-N 2.86Å; R222-L225 HydrophobicContact CB-CB 4.41Å; R222-L225 HydrophobicContact CB-CD1 3.84Å; R222-L225 PolarHBondContact O-N 3.23Å
223	P	51.3	Low	53.8	Low	133 Å²	133	111 Å²	111	86%	0.864	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.2	125.7	173.7	-20.3	31.6	0	0	0	110.2	M221	M221-P223 WeakPolarHBondContact O-CD 3.42Å
224	G	54.5	Low	53	Low	89 Å²	89	118.1 Å²	118.1	92%	0.918	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	93.9	-5.8	175.2	0	0	0	0	0	116.7	R222	R222-G224 PolarHBondContact O-N 2.86Å
225	L	51.1	Low	51.9	Low	103 Å²	103	128.2 Å²	128.2	54%	0.539	66%	0.661	S	S	.	*			trans	-95.8	115.1	169	-90.5	120.3	0	0	0	110.2	R222 P227	R222-L225 HydrophobicContact CB-CB 4.41Å; R222-L225 HydrophobicContact CB-CD1 3.84Å; R222-L225 PolarHBondContact O-N 3.23Å; L225-P227 VanDerWaalsContact O-CD 3.29Å; L225-P227 WeakPolarHBondContact O-CD 3.38Å
226	N	52.2	Low	50.8	Low	84 Å²	84	127.3 Å²	127.3	45%	0.449	67%	0.665	S	S	.	*			trans	-77.2	113.1	165	-178	-17.1	0	0	0	107.7	F228 K229	N226-F228 PolarHBondContact O-N 2.88Å; N226-F228 WeakPolarHBondContact OD1-CD2 3.43Å; N226-F228 PolarHBondContact OD1-N 3.36Å; N226-K229 HydrophobicContact CB-CB 4.29Å; N226-K229 HydrophobicContact CB-CD 4.37Å; N226-K229 HydrophobicContact CB-CG 4.3Å; N226-K229 PolarHBondContact O-N 3.03Å
227	P	52.5	Low	49.6	Very low	76 Å²	76	134.1 Å²	134.1	49%	0.494	68%	0.68	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.8	-13.9	-176.3	24.8	-33.2	0	0	0	113.4	L225	L225-P227 VanDerWaalsContact O-CD 3.29Å; L225-P227 WeakPolarHBondContact O-CD 3.38Å
228	F	48.1	Very low	48.9	Very low	187 Å²	187	142.3 Å²	142.3	82%	0.82	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-4.5	178	-54.9	-72.6	0	0	0	114	N226 V230	N226-F228 PolarHBondContact O-N 2.88Å; N226-F228 WeakPolarHBondContact OD1-CD2 3.43Å; N226-F228 PolarHBondContact OD1-N 3.36Å; F228-V230 PolarHBondContact O-N 2.95Å
229	K	49.5	Very low	48.4	Very low	168 Å²	168	145 Å²	145	73%	0.73	73%	0.727	S	S	*	*			trans	-93	77.6	172.1	-85.1	-174.5	173.2	179.1	0	110	N226	N226-K229 HydrophobicContact CB-CB 4.29Å; N226-K229 HydrophobicContact CB-CD 4.37Å; N226-K229 HydrophobicContact CB-CG 4.3Å; N226-K229 PolarHBondContact O-N 3.03Å
230	V	51.7	Low	47.9	Very low	125 Å²	125	147.7 Å²	147.7	76%	0.758	74%	0.738	S	S	*	*			trans	-88.3	112.2	167.5	-170.4	0	0	0	0	108.6	F228	F228-V230 PolarHBondContact O-N 2.95Å
231	V	47.6	Very low	47.5	Very low	119 Å²	119	152.9 Å²	152.9	72%	0.721	76%	0.759	S	S	*	*			trans	-73.2	131.3	169.8	-148	0	0	0	0	107.7	Y233	V231-Y233 PolarHBondContact O-N 3.49Å
232	P	39.5	Very low	47.3	Very low	121 Å²	121	156.1 Å²	156.1	79%	0.786	77%	0.774	S	S	*	*			trans	-75.8	103.1	-176.7	29.9	-31.4	0	0	0	108.9
233	Y	43.7	Very low	46.9	Very low	214 Å²	214	156.5 Å²	156.5	84%	0.839	79%	0.788	S	S	*	*			trans	-89.2	118.4	178.3	-147.5	-95.2	0	0	0	112.4	V231	V231-Y233 PolarHBondContact O-N 3.49Å
234	R	43	Very low	46.6	Very low	214 Å²	214	158.1 Å²	158.1	81%	0.808	78%	0.783	S	S	*	*			trans	-34	134.4	172.1	-74	172.3	173.6	-172.2	-2.3	114.7	S236	R234-S236 PolarHBondContact O-N 3.1Å; R234-S236 VanDerWaalsContact O-N 3.15Å
235	R	38.4	Very low	46	Very low	255 Å²	255	163 Å²	163	96%	0.962	77%	0.773	S	S	*	*			trans	-65.2	104.2	154.9	-84.9	-178.8	171.4	177.6	-3.5	109.2
236	S	43.6	Very low	45.6	Very low	112 Å²	112	167.6 Å²	167.6	78%	0.783	79%	0.791	S	S	*	*			trans	-80.3	122.2	162.6	55.3	0	0	0	0	109.3	R234	R234-S236 PolarHBondContact O-N 3.1Å; R234-S236 VanDerWaalsContact O-N 3.15Å
237	R	38.2	Very low	45.1	Very low	234 Å²	234	174.6 Å²	174.6	88%	0.883	82%	0.819	S	S	*	*			trans	-71.2	129.5	169.7	-73.1	177.7	172.4	179.8	-3.3	109.7
238	H	45.2	Very low	44.4	Very low	270 Å²	270	183.5 Å²	183.5	100%	1.25	85%	0.849	S	S	*	*			trans	-155.2	0	138.3	-96.8	-63.5	0	0	0	108

Retrieved 238 of 238 residues in 61.7 ms (Link to these results)

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