A0A096MTE1_PAPAN Loading...

Dual specificity phosphatase 14

AlphaFold DB (A0A2K5UEN9), UniProt , Accession A0A096MTE1, Species PAPAN (Papio anubis, Olive baboon), Gene DUSP14, Length 198 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	38.8	Very low	39.1	Very low	242 Å²	242	157.1 Å²	157.1	100%	1.192	86%	0.856	S	S	*	*				0	88.2	0	-66.9	163.1	81.2	0	0	106.7
2	S	44.1	Very low	39.4	Very low	117 Å²	117	154.8 Å²	154.8	82%	0.818	85%	0.851	S	S	*	*				60	106.1	109.8	-167	0	0	0	0	114.6
3	S	37.8	Very low	39.6	Very low	119 Å²	119	155.8 Å²	155.8	83%	0.832	85%	0.853	S	S	*	*			trans	-157.2	120	135.2	62.5	0	0	0	0	110.3
4	R	43.9	Very low	39.5	Very low	244 Å²	244	157.3 Å²	157.3	92%	0.921	85%	0.854	S	S	*	*			trans	-68.1	143.6	173.4	-64	173.1	179.2	-170.8	-1.8	110.1
5	G	37.1	Very low	39.5	Very low	74 Å²	74	152.5 Å²	152.5	76%	0.763	84%	0.844	S	S	*	*			trans	-141.2	122	166	0	0	0	0	0	109.2
6	H	38	Very low	39.3	Very low	180 Å²	180	150.3 Å²	150.3	83%	0.833	84%	0.839	S	S	*	*			trans	-59.5	130.3	-167	-79.8	-91.7	0	0	0	114.9	T8	H6-T8 PolarHBondContact O-N 3.39Å
7	S	38.9	Very low	39.6	Very low	115 Å²	115	155.4 Å²	155.4	80%	0.804	84%	0.842	S	S	*	*			trans	-80.3	100.3	162.5	58.6	0	0	0	0	110
8	T	38.9	Very low	39.5	Very low	131 Å²	131	157.2 Å²	157.2	80%	0.804	85%	0.847	S	S	*	*			trans	-92.3	99.1	165.4	34.2	0	0	0	0	109	H6	H6-T8 PolarHBondContact O-N 3.39Å
9	L	38.8	Very low	39.6	Very low	157 Å²	157	155.9 Å²	155.9	82%	0.822	84%	0.838	S	S	*	*			trans	-65.3	135.6	165.2	-72.7	164.6	0	0	0	108.7	R11	L9-R11 PolarHBondContact O-N 3.23Å
10	P	34.8	Very low	39.8	Very low	114 Å²	114	152.7 Å²	152.7	74%	0.74	83%	0.828	S	S	*	*			trans	-67.1	122.7	171.8	-8.1	22.8	0	0	0	108.3	T12	P10-T12 VanDerWaalsContact C-N 3.35Å; P10-T12 PolarHBondContact O-N 2.93Å
11	R	38.6	Very low	40	Very low	235 Å²	235	153.7 Å²	153.7	89%	0.887	83%	0.827	S	S	*	*			trans	-57	103.4	159.7	-90.9	178.7	169.7	-178.5	-3.2	106.7	L9 L13	L9-R11 PolarHBondContact O-N 3.23Å; R11-L13 PolarHBondContact O-N 2.97Å
12	T	42.6	Very low	40.3	Very low	129 Å²	129	143 Å²	143	79%	0.791	78%	0.78	S	S	*	*			trans	-55.2	106.6	163.3	1.6	0	0	0	0	106.4	P10 M14	P10-T12 VanDerWaalsContact C-N 3.35Å; P10-T12 PolarHBondContact O-N 2.93Å; T12-M14 PolarHBondContact O-N 2.93Å
13	L	43	Very low	40.3	Very low	168 Å²	168	142.3 Å²	142.3	88%	0.88	77%	0.767	S	S	*	*			trans	-53.2	112.4	162.9	-90.1	108.7	0	0	0	105.8	R11 A15	R11-L13 PolarHBondContact O-N 2.97Å; L13-A15 PolarHBondContact O-N 2.93Å
14	M	38.1	Very low	40.9	Very low	177 Å²	177	145 Å²	145	87%	0.872	77%	0.771	S	S	*	*			trans	-49.4	110.6	164.9	-75.9	-94.6	131.7	0	0	106.2	T12	T12-M14 PolarHBondContact O-N 2.93Å
15	A	39.5	Very low	42.3	Very low	85 Å²	85	135.2 Å²	135.2	70%	0.702	75%	0.746	S	S	*	*			trans	-51.5	136.6	173.3	0	0	0	0	0	107.7	L13 R17	L13-A15 PolarHBondContact O-N 2.93Å; A15-R17 PolarHBondContact O-N 2.86Å; A15-R17 VanDerWaalsContact O-N 3.09Å
16	P	35.9	Very low	44.8	Very low	117 Å²	117	132.1 Å²	132.1	76%	0.76	71%	0.714	S	S	*	*			trans	-55.5	125.3	176.1	23.4	-31.3	0	0	0	107.3	M18	P16-M18 PolarHBondContact O-N 3.09Å
17	R	44.2	Very low	47.6	Very low	238 Å²	238	123.8 Å²	123.8	90%	0.898	68%	0.676	S	S	*	*			trans	-48.9	114.1	169.4	-95.7	179.9	169.9	175.5	-2.7	106.2	A15 I19	A15-R17 PolarHBondContact O-N 2.86Å; A15-R17 VanDerWaalsContact O-N 3.09Å; R17-I19 PolarHBondContact O-N 2.92Å
18	M	37.4	Very low	50.4	Low	187 Å²	187	118.6 Å²	118.6	92%	0.921	64%	0.64	S	S	*	*			trans	-58.4	106.9	171.8	-66.2	-164.4	109.6	0	0	106.5	P16 S20	P16-M18 PolarHBondContact O-N 3.09Å; M18-S20 PolarHBondContact O-N 2.97Å
19	I	41.4	Very low	53.2	Low	134 Å²	134	117.5 Å²	117.5	69%	0.687	63%	0.626	S	S	*	*			trans	-62.6	110.5	171.1	-61	172.5	0	0	0	104.1	R17 E21 D23	R17-I19 PolarHBondContact O-N 2.92Å; I19-E21 PolarHBondContact O-N 3.1Å; I19-D23 HydrophobicContact CG2-CB 3.91Å
20	S	44	Very low	56.1	Low	91 Å²	91	110.1 Å²	110.1	64%	0.636	59%	0.587	S	S	*	*			trans	-56.6	141.7	175.5	90.4	0	0	0	0	108.1	M18 G22 D23	M18-S20 PolarHBondContact O-N 2.97Å; S20-G22 PolarHBondContact O-N 3.44Å; S20-G22 PolarHBondContact OG-N 3.5Å; S20-D23 PolarHBondContact O-N 3.48Å
21	E	45.1	Very low	59.1	Low	173 Å²	173	105.2 Å²	105.2	81%	0.808	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-51.5	-8.9	179.3	-64.8	-177.1	153.4	0	0	114.8	I19 D23 G25	I19-E21 PolarHBondContact O-N 3.1Å; E21-D23 VanDerWaalsContact C-N 3.33Å; E21-D23 PolarHBondContact O-N 3.22Å; E21-G25 PolarHBondContact O-N 3.04Å
22	G	43.9	Very low	61.9	Low	19 Å²	19	99.1 Å²	99.1	20%	0.196	55%	0.548	C	S	.	.	G	3₁₀ helix	trans	-65.8	-20.4	176.2	0	0	0	0	0	116.4	S20	S20-G22 PolarHBondContact O-N 3.44Å; S20-G22 PolarHBondContact OG-N 3.5Å
23	D	43.8	Very low	64.6	Low	102 Å²	102	93.3 Å²	93.3	55%	0.545	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-83.4	-22.6	-173.4	-136.1	16.1	0	0	0	113.7	I19 S20 E21	I19-D23 HydrophobicContact CG2-CB 3.91Å; S20-D23 PolarHBondContact O-N 3.48Å; E21-D23 VanDerWaalsContact C-N 3.33Å; E21-D23 PolarHBondContact O-N 3.22Å
24	L	52	Low	67.3	Low	174 Å²	174	85.3 Å²	85.3	91%	0.911	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	-21.9	176.5	-70.2	164.4	0	0	0	113.4	G26	L24-G26 PolarHBondContact O-N 2.73Å
25	G	71.5	Confident	70.1	Confident	40 Å²	40	77.3 Å²	77.3	41%	0.412	43%	0.432	S	S	.	.	S	Bend	trans	-84.5	0.7	-167.9	0	0	0	0	0	117.1	E21 I27 V41	E21-G25 PolarHBondContact O-N 3.04Å; G25-I27 PolarHBondContact O-N 3.29Å; G25-V41 WeakPolarHBondContact O-CG2 3.35Å
26	G	90.3	Very high	73	Confident	9 Å²	9	73.2 Å²	73.2	9%	0.093	40%	0.398	C	S	.	.	S	Bend	trans	66.6	5.2	178.3	0	0	0	0	0	115.7	L24 G37 R38	L24-G26 PolarHBondContact O-N 2.73Å; G26-G37 CarbonylContact O-C 3.59Å; G26-G37 WeakPolarHBondContact O-CA 3.34Å; G26-R38 PolarHBondContact O-N 3.37Å
27	I	96.6	Very high	75.9	Confident	5 Å²	5	67.7 Å²	67.7	3%	0.026	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	139.5	177.2	-171.8	168.5	0	0	0	110	G25 F35 L36 V41 L47 I53 L108	G25-I27 PolarHBondContact O-N 3.29Å; I27-F35 HydrophobicContact CD1-CB 4.03Å; I27-F35 HydrophobicContact CD1-CD1 4.2Å; I27-F35 HydrophobicContact CD1-CG 4.35Å; I27-F35 HydrophobicContact CG1-CB 4.11Å; I27-F35 HydrophobicContact CG1-CD1 4.26Å; I27-L36 CarbonylContact C-O 3.56Å; I27-L36 WeakPolarHBondContact CA-O 3.44Å; I27-V41 HydrophobicContact CB-CG1 4.01Å; I27-V41 HydrophobicContact CB-CG2 4.34Å; I27-V41 HydrophobicContact CD1-CG1 3.97Å; I27-V41 HydrophobicContact CG2-CG1 4.32Å; I27-L47 HydrophobicContact CG2-CD2 4.01Å; I27-I53 HydrophobicContact CD1-CD1 4.16Å; I27-L108 HydrophobicContact CD1-CD1 4.01Å; I27-L108 HydrophobicContact CG1-CD1 4.32Å
28	A	97.8	Very high	78.5	Confident	6 Å²	6	61.8 Å²	61.8	5%	0.05	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	135.8	178	0	0	0	0	0	110	I30 F35 L36 R144 R145	A28-I30 HydrophobicContact CB-CD1 4.45Å; A28-F35 CarbonylContact O-C 3.53Å; A28-F35 WeakPolarHBondContact O-CA 3.42Å; A28-L36 PolarHBondContact N-O 3.28Å; A28-L36 PolarHBondContact O-N 3.22Å; A28-R144 WeakPolarHBondContact CB-O 3.36Å; A28-R145 HydrophobicContact CB-CB 3.88Å; A28-R145 HydrophobicContact CB-CG 4.39Å
29	Q	98.4	Very high	81.2	Confident	107 Å²	107	53.2 Å²	53.2	50%	0.5	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	123.3	172.7	-171.8	172.4	7.1	0	0	109.5	T31 F35 R144	Q29-T31 WeakPolarHBondContact CG-O 3.46Å; Q29-T31 PolarHBondContact NE2-O 3.45Å; Q29-T31 VanDerWaalsContact NE2-O 3.1Å; Q29-F35 HydrophobicContact CB-CD1 3.8Å; Q29-F35 HydrophobicContact CB-CE1 3.55Å; Q29-F35 HydrophobicContact CB-CZ 4.37Å; Q29-F35 HydrophobicContact CG-CD1 4.08Å; Q29-F35 HydrophobicContact CG-CE1 3.59Å; Q29-F35 HydrophobicContact CG-CZ 3.91Å; Q29-R144 VanDerWaalsContact O-CD 3.25Å; Q29-R144 WeakPolarHBondContact O-CD 3.44Å
30	I	98.7	Very high	83.7	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.01	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-47.4	-180	-53.9	-52	0	0	0	110.6	A28 L34 L36 L126 W140 V141 R144	A28-I30 HydrophobicContact CB-CD1 4.45Å; I30-L34 HydrophobicContact CB-CB 4.43Å; I30-L34 HydrophobicContact CB-CD2 4.16Å; I30-L34 HydrophobicContact CB-CG 4.1Å; I30-L34 HydrophobicContact CG2-CD2 4.16Å; I30-L34 PolarHBondContact N-O 2.96Å; I30-L36 HydrophobicContact CD1-CB 4.01Å; I30-L36 HydrophobicContact CD1-CD1 4.47Å; I30-L36 HydrophobicContact CG1-CB 3.84Å; I30-L126 HydrophobicContact CG2-CD1 3.98Å; I30-L126 HydrophobicContact CG2-CD2 4.32Å; I30-L126 HydrophobicContact CG2-CG 4.43Å; I30-W140 PolarHBondContact O-NE1 3.44Å; I30-V141 HydrophobicContact CD1-CG1 3.91Å; I30-V141 HydrophobicContact CG2-CG2 4.1Å; I30-R144 HydrophobicContact CD1-CB 4.17Å; I30-R144 PolarHBondContact O-NE 3.25Å
31	T	98.6	Very high	86	Confident	12 Å²	12	46.9 Å²	46.9	7%	0.074	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	-178.8	173.7	74.7	0	0	0	0	109.5	Q29 S33 L34 Y125 L126 W140	Q29-T31 WeakPolarHBondContact CG-O 3.46Å; Q29-T31 PolarHBondContact NE2-O 3.45Å; Q29-T31 VanDerWaalsContact NE2-O 3.1Å; T31-S33 PolarHBondContact O-N 3.44Å; T31-S33 PolarHBondContact OG1-N 3.41Å; T31-L34 HydrophobicContact CG2-CB 4.4Å; T31-L34 PolarHBondContact N-O 3.38Å; T31-L34 VanDerWaalsContact OG1-CB 3.32Å; T31-L34 WeakPolarHBondContact OG1-CB 3.44Å; T31-L34 PolarHBondContact OG1-N 3.04Å; T31-L34 VanDerWaalsContact OG1-N 3.13Å; T31-Y125 HydrophobicContact CG2-CE1 4.3Å; T31-L126 HydrophobicContact CG2-CD2 3.82Å; T31-W140 HydrophobicContact CG2-CZ2 4.46Å
32	S	97.9	Very high	88.3	Confident	106 Å²	106	38.7 Å²	38.7	74%	0.741	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-27.5	172.9	51.8	0	0	0	0	113.2
33	S	98.3	Very high	90.5	Very high	8 Å²	8	39.9 Å²	39.9	6%	0.056	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.7	13.6	-175.1	67.9	0	0	0	0	114.4	T31 S101 G105 A106 T107	T31-S33 PolarHBondContact O-N 3.44Å; T31-S33 PolarHBondContact OG1-N 3.41Å; S33-S101 WeakPolarHBondContact CB-OG 3.37Å; S33-S101 WeakPolarHBondContact OG-CB 3.44Å; S33-S101 PolarHBondContact OG-OG 3Å; S33-G105 WeakPolarHBondContact CB-O 3.37Å; S33-A106 WeakPolarHBondContact O-CA 3.47Å; S33-T107 PolarHBondContact O-N 3.29Å
34	L	98.9	Very high	93	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	128.6	-179.7	177.6	62.5	0	0	0	111.1	I30 T31 I97 T107 V109 C122 Y125	I30-L34 HydrophobicContact CB-CB 4.43Å; I30-L34 HydrophobicContact CB-CD2 4.16Å; I30-L34 HydrophobicContact CB-CG 4.1Å; I30-L34 HydrophobicContact CG2-CD2 4.16Å; I30-L34 PolarHBondContact N-O 2.96Å; T31-L34 HydrophobicContact CG2-CB 4.4Å; T31-L34 PolarHBondContact N-O 3.38Å; T31-L34 VanDerWaalsContact OG1-CB 3.32Å; T31-L34 WeakPolarHBondContact OG1-CB 3.44Å; T31-L34 PolarHBondContact OG1-N 3.04Å; T31-L34 VanDerWaalsContact OG1-N 3.13Å; L34-I97 HydrophobicContact CB-CG2 4.31Å; L34-I97 HydrophobicContact CD1-CD1 3.94Å; L34-I97 HydrophobicContact CD1-CG1 4.2Å; L34-I97 HydrophobicContact CD1-CG2 3.98Å; L34-I97 HydrophobicContact CD2-CG2 4.43Å; L34-I97 HydrophobicContact CG-CG2 4.47Å; L34-T107 CarbonylContact C-O 3.52Å; L34-T107 WeakPolarHBondContact CA-O 3.25Å; L34-V109 HydrophobicContact CD1-CG2 3.68Å; L34-C122 HydrophobicContact CD2-CB 4.25Å; L34-Y125 HydrophobicContact CD2-CD1 3.38Å; L34-Y125 HydrophobicContact CD2-CE1 3.69Å; L34-Y125 HydrophobicContact CD2-CG 4.24Å
35	F	98.8	Very high	95	Very high	8 Å²	8	34.8 Å²	34.8	4%	0.035	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	146	173.9	-63.5	-96	0	0	0	110.6	I27 A28 Q29 R51 I53 A106 T107 L108 V109	I27-F35 HydrophobicContact CD1-CB 4.03Å; I27-F35 HydrophobicContact CD1-CD1 4.2Å; I27-F35 HydrophobicContact CD1-CG 4.35Å; I27-F35 HydrophobicContact CG1-CB 4.11Å; I27-F35 HydrophobicContact CG1-CD1 4.26Å; A28-F35 CarbonylContact O-C 3.53Å; A28-F35 WeakPolarHBondContact O-CA 3.42Å; Q29-F35 HydrophobicContact CB-CD1 3.8Å; Q29-F35 HydrophobicContact CB-CE1 3.55Å; Q29-F35 HydrophobicContact CB-CZ 4.37Å; Q29-F35 HydrophobicContact CG-CD1 4.08Å; Q29-F35 HydrophobicContact CG-CE1 3.59Å; Q29-F35 HydrophobicContact CG-CZ 3.91Å; F35-R51 HydrophobicContact CE1-CB 4.13Å; F35-R51 HydrophobicContact CE1-CG 3.9Å; F35-R51 HydrophobicContact CE2-CB 4.15Å; F35-R51 HydrophobicContact CZ-CB 3.78Å; F35-R51 HydrophobicContact CZ-CG 4.01Å; F35-I53 HydrophobicContact CB-CD1 4.33Å; F35-I53 HydrophobicContact CD2-CD1 3.85Å; F35-I53 HydrophobicContact CD2-CG1 3.76Å; F35-I53 HydrophobicContact CE2-CD1 4.36Å; F35-I53 HydrophobicContact CE2-CG1 4.06Å; F35-I53 HydrophobicContact CG-CD1 4.07Å; F35-I53 HydrophobicContact CG-CG1 4.47Å; F35-A106 HydrophobicContact CD2-CB 4.22Å; F35-A106 HydrophobicContact CE2-CB 3.88Å; F35-T107 PolarHBondContact N-O 3.14Å; F35-L108 HydrophobicContact CB-CD1 4.08Å; F35-V109 PolarHBondContact O-N 3.2Å
36	L	98.8	Very high	96.2	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.8	173.2	-173.3	175.6	0	0	0	108.6	I27 A28 I30 V109 G114 A119 V141 I148	I27-L36 CarbonylContact C-O 3.56Å; I27-L36 WeakPolarHBondContact CA-O 3.44Å; A28-L36 PolarHBondContact N-O 3.28Å; A28-L36 PolarHBondContact O-N 3.22Å; I30-L36 HydrophobicContact CD1-CB 4.01Å; I30-L36 HydrophobicContact CD1-CD1 4.47Å; I30-L36 HydrophobicContact CG1-CB 3.84Å; L36-V109 WeakPolarHBondContact CA-O 3.06Å; L36-G114 WeakPolarHBondContact CD2-O 3.2Å; L36-A119 HydrophobicContact CD1-CB 3.92Å; L36-V141 HydrophobicContact CD1-CG1 3.53Å; L36-I148 HydrophobicContact CD1-CG2 4.02Å
37	G	97.8	Very high	96.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	175.5	179.3	0	0	0	0	0	117.7	G26 V109 H110 C111 G114	G26-G37 CarbonylContact O-C 3.59Å; G26-G37 WeakPolarHBondContact O-CA 3.34Å; G37-V109 PolarHBondContact N-O 3.37Å; G37-H110 VanDerWaalsContact O-CA 3.32Å; G37-H110 WeakPolarHBondContact O-CA 3.43Å; G37-H110 WeakPolarHBondContact O-CB 3.32Å; G37-C111 PolarHBondContact O-N 2.92Å; G37-G114 VanDerWaalsContact O-CA 3.22Å; G37-G114 WeakPolarHBondContact O-CA 3.33Å
38	R	97.7	Very high	96.5	Very high	115 Å²	115	41.3 Å²	41.3	43%	0.434	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	158.5	166	-62.3	-178.6	73.4	115.7	-2	110.7	G26 S40 V41 C111 A113	G26-R38 PolarHBondContact O-N 3.37Å; R38-S40 PolarHBondContact O-N 2.98Å; R38-V41 PolarHBondContact O-N 3.17Å; R38-V41 VanDerWaalsContact O-N 3.1Å; R38-C111 CarbonylContact C-O 3.56Å; R38-A113 WeakPolarHBondContact CG-O 3.28Å
39	G	95.1	Very high	96.5	Very high	6 Å²	6	45.3 Å²	45.3	6%	0.062	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-62.5	-32.2	176.4	0	0	0	0	0	112.5	V41 A42 C111 A112	G39-V41 PolarHBondContact O-N 3.13Å; G39-A42 WeakPolarHBondContact O-CB 3.47Å; G39-A42 PolarHBondContact O-N 3.27Å; G39-A42 VanDerWaalsContact O-N 3.1Å; G39-C111 WeakPolarHBondContact CA-O 3.16Å; G39-C111 PolarHBondContact N-O 3.36Å; G39-A112 PolarHBondContact N-O 3.02Å; G39-A112 VanDerWaalsContact N-O 3.1Å
40	S	94.4	Very high	96.4	Very high	81 Å²	81	43.8 Å²	43.8	57%	0.566	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-61.8	-24.9	176.3	58.9	0	0	0	0	113.6	R38 S43	R38-S40 PolarHBondContact O-N 2.98Å; S40-S43 PolarHBondContact O-OG 3.15Å
41	V	92.6	Very high	96.4	Very high	11 Å²	11	47.5 Å²	47.5	7%	0.067	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-81.3	-26.2	178.1	179.2	0	0	0	0	111.7	G25 I27 R38 G39 S43 N44 L47 L48	G25-V41 WeakPolarHBondContact O-CG2 3.35Å; I27-V41 HydrophobicContact CB-CG1 4.01Å; I27-V41 HydrophobicContact CB-CG2 4.34Å; I27-V41 HydrophobicContact CD1-CG1 3.97Å; I27-V41 HydrophobicContact CG2-CG1 4.32Å; R38-V41 PolarHBondContact O-N 3.17Å; R38-V41 VanDerWaalsContact O-N 3.1Å; G39-V41 PolarHBondContact O-N 3.13Å; V41-S43 PolarHBondContact O-N 3.47Å; V41-S43 VanDerWaalsContact O-N 3.13Å; V41-N44 PolarHBondContact O-N 3.41Å; V41-L47 HydrophobicContact CG1-CD2 3.47Å; V41-L47 VanDerWaalsContact CG1-CD2 3.47Å; V41-L48 HydrophobicContact CG1-CD2 4.42Å
42	A	91.5	Very high	96.3	Very high	1 Å²	1	49 Å²	49	1%	0.008	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.5	-176.9	0	0	0	0	0	113.5	G39 L108	G39-A42 WeakPolarHBondContact O-CB 3.47Å; G39-A42 PolarHBondContact O-N 3.27Å; G39-A42 VanDerWaalsContact O-N 3.1Å; A42-L108 HydrophobicContact CB-CD2 4.47Å
43	S	91.3	Very high	96.4	Very high	45 Å²	45	44.2 Å²	44.2	32%	0.315	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-16.8	174	60	0	0	0	0	114.1	S40 V41 R45 F66 W68	S40-S43 PolarHBondContact O-OG 3.15Å; V41-S43 PolarHBondContact O-N 3.47Å; V41-S43 VanDerWaalsContact O-N 3.13Å; S43-R45 VanDerWaalsContact C-N 3.33Å; S43-R45 PolarHBondContact O-N 3.2Å; S43-F66 VanDerWaalsContact CB-CZ 3.47Å; S43-W68 PolarHBondContact O-NE1 3.47Å
44	N	95.1	Very high	96.4	Very high	77 Å²	77	46.9 Å²	46.9	41%	0.412	26%	0.255	S	S	.	.			trans	-81.9	77.9	-175.5	-170.4	-23.2	0	0	0	111.1	V41 H46 L47 L48	V41-N44 PolarHBondContact O-N 3.41Å; N44-H46 VanDerWaalsContact C-N 3.28Å; N44-H46 PolarHBondContact O-N 3.23Å; N44-L47 HydrophobicContact CB-CB 4.03Å; N44-L47 VanDerWaalsContact CG-CB 3.49Å; N44-L47 WeakPolarHBondContact O-CB 3.37Å; N44-L47 PolarHBondContact O-N 3.34Å; N44-L47 VanDerWaalsContact O-N 3.13Å; N44-L47 WeakPolarHBondContact OD1-CB 3.32Å; N44-L47 PolarHBondContact OD1-N 2.85Å; N44-L47 VanDerWaalsContact OD1-N 3.17Å; N44-L48 WeakPolarHBondContact O-CG 3.46Å; N44-L48 PolarHBondContact O-N 3.41Å; N44-L48 VanDerWaalsContact O-N 3.15Å
45	R	95.9	Very high	96.4	Very high	92 Å²	92	46.9 Å²	46.9	35%	0.347	26%	0.255	S	S	.	.	H	α-helix	trans	-50.3	-44.1	-177.3	176.1	178.3	160.6	-171.1	-2.1	113.4	S43 L47 L48 Q49 F71	S43-R45 VanDerWaalsContact C-N 3.33Å; S43-R45 PolarHBondContact O-N 3.2Å; R45-L47 PolarHBondContact O-N 2.96Å; R45-L48 PolarHBondContact O-N 2.83Å; R45-Q49 HydrophobicContact CG-CG 4.37Å; R45-Q49 WeakPolarHBondContact O-CG 3.42Å; R45-Q49 PolarHBondContact O-N 2.8Å; R45-F71 HydrophobicContact CB-CE2 4.4Å; R45-F71 HydrophobicContact CG-CE2 4.07Å; R45-F71 HydrophobicContact CG-CZ 4.08Å
46	H	96	Very high	96.4	Very high	150 Å²	150	46.5 Å²	46.5	69%	0.694	25%	0.253	S	S	*	.	H	α-helix	trans	-62.3	-44.7	-178.3	-175	76	0	0	0	111.7	N44 L48 Q49 A50	N44-H46 VanDerWaalsContact C-N 3.28Å; N44-H46 PolarHBondContact O-N 3.23Å; H46-L48 VanDerWaalsContact C-N 3.32Å; H46-L48 PolarHBondContact O-N 3.18Å; H46-Q49 PolarHBondContact O-N 3.18Å; H46-A50 WeakPolarHBondContact O-CB 3.39Å; H46-A50 PolarHBondContact O-N 3.13Å
47	L	95.9	Very high	96.4	Very high	40 Å²	40	46.5 Å²	46.5	21%	0.209	25%	0.253	C	S	.	.	H	α-helix	trans	-61.2	-40.4	176.9	-168.8	80.6	0	0	0	112.5	I27 V41 N44 R45 R51	I27-L47 HydrophobicContact CG2-CD2 4.01Å; V41-L47 HydrophobicContact CG1-CD2 3.47Å; V41-L47 VanDerWaalsContact CG1-CD2 3.47Å; N44-L47 HydrophobicContact CB-CB 4.03Å; N44-L47 VanDerWaalsContact CG-CB 3.49Å; N44-L47 WeakPolarHBondContact O-CB 3.37Å; N44-L47 PolarHBondContact O-N 3.34Å; N44-L47 VanDerWaalsContact O-N 3.13Å; N44-L47 WeakPolarHBondContact OD1-CB 3.32Å; N44-L47 PolarHBondContact OD1-N 2.85Å; N44-L47 VanDerWaalsContact OD1-N 3.17Å; R45-L47 PolarHBondContact O-N 2.96Å; L47-R51 VanDerWaalsContact CG-NH1 3.34Å; L47-R51 PolarHBondContact O-N 3.43Å
48	L	97.3	Very high	96.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67.2	-45	179.5	-60.5	178	0	0	0	111.2	V41 N44 R45 H46 R51 G52 I53 I56 F71 L108	V41-L48 HydrophobicContact CG1-CD2 4.42Å; N44-L48 WeakPolarHBondContact O-CG 3.46Å; N44-L48 PolarHBondContact O-N 3.41Å; N44-L48 VanDerWaalsContact O-N 3.15Å; R45-L48 PolarHBondContact O-N 2.83Å; H46-L48 VanDerWaalsContact C-N 3.32Å; H46-L48 PolarHBondContact O-N 3.18Å; L48-R51 PolarHBondContact O-N 2.89Å; L48-G52 PolarHBondContact O-N 3.2Å; L48-I53 HydrophobicContact CB-CB 4.29Å; L48-I53 HydrophobicContact CB-CD1 4.44Å; L48-I53 HydrophobicContact CD2-CD1 3.67Å; L48-I53 WeakPolarHBondContact O-CB 3.37Å; L48-I53 PolarHBondContact O-N 2.85Å; L48-I56 HydrophobicContact CD1-CD1 3.65Å; L48-F71 HydrophobicContact CB-CE1 3.91Å; L48-F71 HydrophobicContact CB-CE2 4.21Å; L48-F71 HydrophobicContact CB-CZ 3.54Å; L48-F71 HydrophobicContact CD1-CD2 4.29Å; L48-F71 HydrophobicContact CD1-CE2 3.77Å; L48-F71 HydrophobicContact CD1-CZ 3.99Å; L48-F71 HydrophobicContact CG-CZ 4.41Å; L48-L108 HydrophobicContact CD2-CD2 3.59Å
49	Q	97.3	Very high	96.5	Very high	91 Å²	91	41 Å²	41	43%	0.425	23%	0.233	S	C	.	.	H	α-helix	trans	-64	-42.1	176.1	-67.9	-175	-78.6	0	0	111.8	R45 H46 R51 G52 F71	R45-Q49 HydrophobicContact CG-CG 4.37Å; R45-Q49 WeakPolarHBondContact O-CG 3.42Å; R45-Q49 PolarHBondContact O-N 2.8Å; H46-Q49 PolarHBondContact O-N 3.18Å; Q49-R51 PolarHBondContact O-N 3.24Å; Q49-R51 VanDerWaalsContact O-N 3.14Å; Q49-G52 PolarHBondContact O-N 3Å; Q49-F71 HydrophobicContact CG-CE1 4.08Å; Q49-F71 HydrophobicContact CG-CZ 3.9Å
50	A	97	Very high	96.7	Very high	74 Å²	74	40.7 Å²	40.7	61%	0.612	23%	0.23	S	C	*	.	H	α-helix	trans	-60.9	-22.7	176.8	0	0	0	0	0	113.4	H46	H46-A50 WeakPolarHBondContact O-CB 3.39Å; H46-A50 PolarHBondContact O-N 3.13Å
51	R	97.4	Very high	96.8	Very high	81 Å²	81	42 Å²	42	31%	0.306	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	5.5	176	-77	166.3	173.2	64.2	-0.1	113.7	F35 L47 L48 Q49 I53	F35-R51 HydrophobicContact CE1-CB 4.13Å; F35-R51 HydrophobicContact CE1-CG 3.9Å; F35-R51 HydrophobicContact CE2-CB 4.15Å; F35-R51 HydrophobicContact CZ-CB 3.78Å; F35-R51 HydrophobicContact CZ-CG 4.01Å; L47-R51 VanDerWaalsContact CG-NH1 3.34Å; L47-R51 PolarHBondContact O-N 3.43Å; L48-R51 PolarHBondContact O-N 2.89Å; Q49-R51 PolarHBondContact O-N 3.24Å; Q49-R51 VanDerWaalsContact O-N 3.14Å; R51-I53 HydrophobicContact CB-CD1 3.86Å; R51-I53 HydrophobicContact CB-CG1 4.09Å; R51-I53 PolarHBondContact O-N 3.04Å
52	G	97.9	Very high	97.1	Very high	43 Å²	43	46.1 Å²	46.1	44%	0.443	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	23.2	-177.3	0	0	0	0	0	113.7	L48 Q49 T54 A106	L48-G52 PolarHBondContact O-N 3.2Å; Q49-G52 PolarHBondContact O-N 3Å; G52-T54 PolarHBondContact O-N 3.08Å; G52-A106 PolarHBondContact O-N 3.24Å
53	I	98.7	Very high	97.3	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.026	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	127.4	178.9	-68.7	160	0	0	0	109	I27 F35 L48 R51 C55 I56 F71 A106 L108	I27-I53 HydrophobicContact CD1-CD1 4.16Å; F35-I53 HydrophobicContact CB-CD1 4.33Å; F35-I53 HydrophobicContact CD2-CD1 3.85Å; F35-I53 HydrophobicContact CD2-CG1 3.76Å; F35-I53 HydrophobicContact CE2-CD1 4.36Å; F35-I53 HydrophobicContact CE2-CG1 4.06Å; F35-I53 HydrophobicContact CG-CD1 4.07Å; F35-I53 HydrophobicContact CG-CG1 4.47Å; L48-I53 HydrophobicContact CB-CB 4.29Å; L48-I53 HydrophobicContact CB-CD1 4.44Å; L48-I53 HydrophobicContact CD2-CD1 3.67Å; L48-I53 WeakPolarHBondContact O-CB 3.37Å; L48-I53 PolarHBondContact O-N 2.85Å; R51-I53 HydrophobicContact CB-CD1 3.86Å; R51-I53 HydrophobicContact CB-CG1 4.09Å; R51-I53 PolarHBondContact O-N 3.04Å; I53-C55 WeakPolarHBondContact CG2-O 3.27Å; I53-I56 HydrophobicContact CG2-CG1 4.28Å; I53-F71 VanDerWaalsContact O-CD1 3.27Å; I53-F71 WeakPolarHBondContact O-CD1 3.49Å; I53-F71 WeakPolarHBondContact O-CE1 3.4Å; I53-A106 CarbonylContact C-O 3.57Å; I53-A106 WeakPolarHBondContact CA-O 3.46Å; I53-A106 HydrophobicContact CG1-CB 4.25Å; I53-L108 HydrophobicContact CD1-CB 4.11Å; I53-L108 HydrophobicContact CG2-CB 4.02Å
54	T	98.8	Very high	97.6	Very high	64 Å²	64	50.3 Å²	50.3	39%	0.393	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	-15.6	179	58	0	0	0	0	112.4	G52 F71 E72 G105 A106	G52-T54 PolarHBondContact O-N 3.08Å; T54-F71 WeakPolarHBondContact O-CA 3.3Å; T54-E72 PolarHBondContact O-N 2.8Å; T54-G105 WeakPolarHBondContact OG1-CA 3.49Å; T54-A106 PolarHBondContact N-O 3.15Å
55	C	98.8	Very high	97.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	139.6	177.9	-175.9	0	0	0	0	111.7	I53 E72 K96 V100 A106 T107 L108	I53-C55 WeakPolarHBondContact CG2-O 3.27Å; C55-E72 CarbonylContact C-O 3.52Å; C55-E72 WeakPolarHBondContact CA-O 3.48Å; C55-K96 VanDerWaalsContact SG-CE 3.59Å; C55-V100 HydrophobicContact CB-CB 4.49Å; C55-V100 HydrophobicContact CB-CG1 4.16Å; C55-V100 HydrophobicContact CB-CG2 3.62Å; C55-A106 PolarHBondContact N-O 2.83Å; C55-T107 HydrophobicContact CB-CG2 4.36Å; C55-T107 CarbonylContact O-C 3.55Å; C55-T107 VanDerWaalsContact O-CA 3.31Å; C55-T107 WeakPolarHBondContact O-CA 3.34Å; C55-L108 PolarHBondContact O-N 3.03Å
56	I	98.9	Very high	97.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	114.4	177.6	-57.7	175	0	0	0	109	L48 I53 F71 E72 Y73 V74 L108	L48-I56 HydrophobicContact CD1-CD1 3.65Å; I53-I56 HydrophobicContact CG2-CG1 4.28Å; I56-F71 HydrophobicContact CD1-CB 3.83Å; I56-F71 HydrophobicContact CD1-CD2 3.6Å; I56-F71 HydrophobicContact CD1-CE2 4.36Å; I56-F71 HydrophobicContact CD1-CG 3.78Å; I56-F71 HydrophobicContact CG1-CB 4.07Å; I56-F71 HydrophobicContact CG1-CG 4.3Å; I56-E72 PolarHBondContact N-O 3.22Å; I56-Y73 HydrophobicContact CB-CD1 3.91Å; I56-Y73 HydrophobicContact CB-CE1 3.97Å; I56-Y73 HydrophobicContact CD1-CD1 4.44Å; I56-Y73 HydrophobicContact CD1-CE1 3.66Å; I56-Y73 HydrophobicContact CG1-CE1 4.37Å; I56-Y73 HydrophobicContact CG2-CD1 4.13Å; I56-Y73 HydrophobicContact CG2-CE1 4.09Å; I56-Y73 WeakPolarHBondContact O-CA 3.4Å; I56-V74 PolarHBondContact O-N 3.46Å; I56-L108 CarbonylContact C-O 3.14Å; I56-L108 WeakPolarHBondContact CA-O 3.24Å; I56-L108 HydrophobicContact CG2-CD2 4.44Å
57	V	98.9	Very high	97.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	110.7	170	-179	0	0	0	0	108.4	V74 V76 V93 T107 L108 V109 H110	V57-V74 CarbonylContact C-O 3.37Å; V57-V74 WeakPolarHBondContact CA-O 3.45Å; V57-V74 HydrophobicContact CG2-CB 4.22Å; V57-V76 HydrophobicContact CG1-CG2 4.09Å; V57-V93 HydrophobicContact CG1-CG1 4.1Å; V57-V93 HydrophobicContact CG1-CG2 4.32Å; V57-V93 HydrophobicContact CG2-CG1 4.47Å; V57-T107 HydrophobicContact CG2-CG2 3.69Å; V57-L108 PolarHBondContact N-O 3.45Å; V57-V109 HydrophobicContact CB-CB 4.43Å; V57-V109 HydrophobicContact CB-CG1 4.29Å; V57-V109 HydrophobicContact CB-CG2 4.09Å; V57-V109 HydrophobicContact CG1-CG1 4.24Å; V57-V109 HydrophobicContact CG2-CG2 4.37Å; V57-V109 WeakPolarHBondContact O-CA 3.41Å; V57-H110 PolarHBondContact O-N 3.23Å
58	N	98.8	Very high	97.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	98.1	177.4	-178.8	-3	0	0	0	110.3	T60 I63 N65 V74 K75 V76 H110	N58-T60 PolarHBondContact O-N 3.03Å; N58-T60 VanDerWaalsContact O-N 3.14Å; N58-T60 WeakPolarHBondContact OD1-CB 3.32Å; N58-T60 PolarHBondContact OD1-N 2.94Å; N58-T60 PolarHBondContact OD1-OG1 3.13Å; N58-I63 PolarHBondContact ND2-O 3.23Å; N58-N65 VanDerWaalsContact CB-OD1 3.26Å; N58-N65 WeakPolarHBondContact CB-OD1 3.22Å; N58-N65 PolarHBondContact ND2-OD1 2.86Å; N58-V74 PolarHBondContact N-O 2.83Å; N58-K75 HydrophobicContact CB-CD 4.08Å; N58-K75 PolarHBondContact ND2-NZ 3.39Å; N58-V76 PolarHBondContact O-N 2.89Å; N58-H110 WeakPolarHBondContact CB-NE2 3.41Å; N58-H110 PolarHBondContact OD1-CE1 3.41Å; N58-H110 VanDerWaalsContact OD1-CE1 3.24Å
59	A	98.8	Very high	97.6	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.304	C	S	.	.			trans	-88.3	52.2	-179.4	0	0	0	0	0	112.4	V76 H110 C111 R117 L121	A59-V76 CarbonylContact C-O 3.51Å; A59-V76 WeakPolarHBondContact CA-O 3.49Å; A59-V76 HydrophobicContact CB-CB 4.48Å; A59-H110 WeakPolarHBondContact CB-O 3.08Å; A59-H110 PolarHBondContact N-O 3Å; A59-C111 HydrophobicContact CB-CB 4.49Å; A59-R117 HydrophobicContact CB-CB 4.22Å; A59-R117 VanDerWaalsContact O-CD 3.26Å; A59-R117 WeakPolarHBondContact O-CD 3.37Å; A59-L121 HydrophobicContact CB-CD1 3.61Å
60	T	98.6	Very high	97.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.3	C	S	.	.			trans	-138.6	152.5	177.4	71.4	0	0	0	0	110.7	N58 E62 I63 K75 V76 P77 C111	N58-T60 PolarHBondContact O-N 3.03Å; N58-T60 VanDerWaalsContact O-N 3.14Å; N58-T60 WeakPolarHBondContact OD1-CB 3.32Å; N58-T60 PolarHBondContact OD1-N 2.94Å; N58-T60 PolarHBondContact OD1-OG1 3.13Å; T60-E62 WeakPolarHBondContact CB-OE2 3.25Å; T60-I63 HydrophobicContact CG2-CB 4.39Å; T60-I63 HydrophobicContact CG2-CD1 4.05Å; T60-I63 HydrophobicContact CG2-CG1 4.09Å; T60-I63 VanDerWaalsContact OG1-CB 3.31Å; T60-I63 WeakPolarHBondContact OG1-CB 3.31Å; T60-I63 PolarHBondContact OG1-N 2.99Å; T60-I63 VanDerWaalsContact OG1-N 3.15Å; T60-I63 PolarHBondContact OG1-O 3Å; T60-K75 WeakPolarHBondContact O-CE 3.39Å; T60-K75 PolarHBondContact O-NZ 2.9Å; T60-K75 PolarHBondContact OG1-NZ 3.14Å; T60-V76 PolarHBondContact N-O 3.41Å; T60-V76 VanDerWaalsContact N-O 3.15Å; T60-P77 WeakPolarHBondContact O-CA 3.23Å; T60-C111 VanDerWaalsContact CG2-CA 3.5Å; T60-C111 HydrophobicContact CG2-CB 4.01Å
61	I	97.8	Very high	97.7	Very high	107 Å²	107	51.3 Å²	51.3	55%	0.549	27%	0.274	S	S	.	.	S	Bend	trans	-85	-38.7	162.9	-169.9	166.5	0	0	0	109.9	K75 P77 L78 A79	I61-K75 PolarHBondContact O-NZ 3.34Å; I61-P77 HydrophobicContact CB-CB 4.48Å; I61-P77 HydrophobicContact CG1-CB 4.38Å; I61-L78 PolarHBondContact N-O 3.24Å; I61-A79 HydrophobicContact CG2-CB 4.44Å
62	E	97.6	Very high	97.7	Very high	98 Å²	98	52.2 Å²	52.2	46%	0.458	28%	0.282	S	S	.	.	S	Bend	trans	-82.3	-22.5	-165.5	70.7	-76.3	-176.6	0	0	115.7	T60 R117	T60-E62 WeakPolarHBondContact CB-OE2 3.25Å; E62-R117 VanDerWaalsContact CD-NH1 3.3Å; E62-R117 IonicContact OE1-CZ 3.55Å; E62-R117 VanDerWaalsContact OE1-CZ 3.27Å; E62-R117 IonicContact OE1-NH1 3.27Å; E62-R117 PolarHBondContact OE1-NH1 2.9Å; E62-R117 IonicContact OE1-NH2 2.76Å; E62-R117 PolarHBondContact OE1-NH2 3.3Å; E62-R117 IonicContact OE2-CZ 2.74Å; E62-R117 IonicContact OE2-NH1 3.92Å; E62-R117 PolarHBondContact OE2-NH1 3.26Å
63	I	97	Very high	97.7	Very high	35 Å²	35	52.1 Å²	52.1	18%	0.179	27%	0.268	C	S	.	.	S	Bend	trans	-100.9	117.2	-177.5	-51.7	-173.7	0	0	0	109.8	N58 T60 K75 A112	N58-I63 PolarHBondContact ND2-O 3.23Å; T60-I63 HydrophobicContact CG2-CB 4.39Å; T60-I63 HydrophobicContact CG2-CD1 4.05Å; T60-I63 HydrophobicContact CG2-CG1 4.09Å; T60-I63 VanDerWaalsContact OG1-CB 3.31Å; T60-I63 WeakPolarHBondContact OG1-CB 3.31Å; T60-I63 PolarHBondContact OG1-N 2.99Å; T60-I63 VanDerWaalsContact OG1-N 3.15Å; T60-I63 PolarHBondContact OG1-O 3Å; I63-K75 PolarHBondContact O-NZ 3.42Å; I63-A112 HydrophobicContact CD1-CB 4.05Å
64	P	97.3	Very high	97.7	Very high	99 Å²	99	53.8 Å²	53.8	64%	0.643	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-65.7	157.5	175.9	28.3	-34.4	0	0	0	111.8
65	N	97.6	Very high	97.7	Very high	40 Å²	40	54 Å²	54	21%	0.214	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-72.8	139.9	168.8	-68.5	-19.5	0	0	0	109.4	N58 N67 Y73	N58-N65 VanDerWaalsContact CB-OD1 3.26Å; N58-N65 WeakPolarHBondContact CB-OD1 3.22Å; N58-N65 PolarHBondContact ND2-OD1 2.86Å; N65-N67 WeakPolarHBondContact CB-OD1 3.33Å; N65-N67 PolarHBondContact O-N 3.5Å; N65-Y73 HydrophobicContact CB-CD1 3.66Å; N65-Y73 HydrophobicContact CB-CE1 4.07Å; N65-Y73 HydrophobicContact CB-CG 4.15Å
66	F	94.9	Very high	97.7	Very high	98 Å²	98	54.1 Å²	54.1	43%	0.43	28%	0.275	S	S	.	.			trans	-74.3	-14.4	174.8	-73.2	-85	0	0	0	113	S43 W68	S43-F66 VanDerWaalsContact CB-CZ 3.47Å; F66-W68 PolarHBondContact O-N 2.94Å
67	N	95.7	Very high	97.7	Very high	114 Å²	114	57 Å²	57	61%	0.61	29%	0.293	S	S	*	.			trans	53.3	36	173.8	-67.2	-17.7	0	0	0	114.7	N65	N65-N67 WeakPolarHBondContact CB-OD1 3.33Å; N65-N67 PolarHBondContact O-N 3.5Å
68	W	96.1	Very high	97.6	Very high	89 Å²	89	57.4 Å²	57.4	34%	0.337	30%	0.295	S	S	.	.			trans	-59.6	127.6	168.6	-63.8	119.6	0	0	0	111	S43 F66 Q70 F71 Y73	S43-W68 PolarHBondContact O-NE1 3.47Å; F66-W68 PolarHBondContact O-N 2.94Å; W68-Q70 PolarHBondContact O-N 3.29Å; W68-F71 HydrophobicContact CB-CD2 3.69Å; W68-F71 HydrophobicContact CB-CE2 3.91Å; W68-F71 HydrophobicContact CG-CD2 4.32Å; W68-F71 HydrophobicContact CG-CE2 4.22Å; W68-F71 PolarHBondContact O-N 2.83Å; W68-F71 VanDerWaalsContact O-N 3.14Å; W68-Y73 PolarHBondContact N-OH 3.34Å
69	P	96.4	Very high	97.5	Very high	116 Å²	116	59.4 Å²	59.4	75%	0.753	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-18.9	-176.7	-26.6	34.1	0	0	0	115.5	F71	P69-F71 VanDerWaalsContact C-N 3.3Å
70	Q	96.4	Very high	97.5	Very high	74 Å²	74	62.1 Å²	62.1	35%	0.346	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-15.8	-178.1	-61.4	74.9	25	0	0	113.3	W68	W68-Q70 PolarHBondContact O-N 3.29Å
71	F	98.3	Very high	97.5	Very high	14 Å²	14	66.3 Å²	66.3	6%	0.061	35%	0.347	C	S	.	.	S	Bend	trans	-122.7	139.5	-174.5	-45	-59.9	0	0	0	110.8	R45 L48 Q49 I53 T54 I56 W68 P69 Y73	R45-F71 HydrophobicContact CB-CE2 4.4Å; R45-F71 HydrophobicContact CG-CE2 4.07Å; R45-F71 HydrophobicContact CG-CZ 4.08Å; L48-F71 HydrophobicContact CB-CE1 3.91Å; L48-F71 HydrophobicContact CB-CE2 4.21Å; L48-F71 HydrophobicContact CB-CZ 3.54Å; L48-F71 HydrophobicContact CD1-CD2 4.29Å; L48-F71 HydrophobicContact CD1-CE2 3.77Å; L48-F71 HydrophobicContact CD1-CZ 3.99Å; L48-F71 HydrophobicContact CG-CZ 4.41Å; Q49-F71 HydrophobicContact CG-CE1 4.08Å; Q49-F71 HydrophobicContact CG-CZ 3.9Å; I53-F71 VanDerWaalsContact O-CD1 3.27Å; I53-F71 WeakPolarHBondContact O-CD1 3.49Å; I53-F71 WeakPolarHBondContact O-CE1 3.4Å; T54-F71 WeakPolarHBondContact O-CA 3.3Å; I56-F71 HydrophobicContact CD1-CB 3.83Å; I56-F71 HydrophobicContact CD1-CD2 3.6Å; I56-F71 HydrophobicContact CD1-CE2 4.36Å; I56-F71 HydrophobicContact CD1-CG 3.78Å; I56-F71 HydrophobicContact CG1-CB 4.07Å; I56-F71 HydrophobicContact CG1-CG 4.3Å; W68-F71 HydrophobicContact CB-CD2 3.69Å; W68-F71 HydrophobicContact CB-CE2 3.91Å; W68-F71 HydrophobicContact CG-CD2 4.32Å; W68-F71 HydrophobicContact CG-CE2 4.22Å; W68-F71 PolarHBondContact O-N 2.83Å; W68-F71 VanDerWaalsContact O-N 3.14Å; P69-F71 VanDerWaalsContact C-N 3.3Å; F71-Y73 HydrophobicContact CB-CD2 4.47Å; F71-Y73 HydrophobicContact CB-CE2 3.88Å; F71-Y73 VanDerWaalsContact O-CD2 3.26Å; F71-Y73 WeakPolarHBondContact O-CD2 3.42Å; F71-Y73 WeakPolarHBondContact O-CE2 3.37Å
72	E	98.4	Very high	97.5	Very high	101 Å²	101	63.6 Å²	63.6	47%	0.472	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	138.3	163.8	-171.1	-174.3	166	0	0	109.7	T54 C55 I56 K96	T54-E72 PolarHBondContact O-N 2.8Å; C55-E72 CarbonylContact C-O 3.52Å; C55-E72 WeakPolarHBondContact CA-O 3.48Å; I56-E72 PolarHBondContact N-O 3.22Å; E72-K96 WeakPolarHBondContact OE1-CE 3.45Å; E72-K96 IonicContact OE1-NZ 2.6Å; E72-K96 PolarHBondContact OE1-NZ 2.6Å; E72-K96 WeakPolarHBondContact OE2-CE 3.33Å; E72-K96 IonicContact OE2-NZ 2.67Å; E72-K96 PolarHBondContact OE2-NZ 3.26Å
73	Y	98.6	Very high	97.5	Very high	41 Å²	41	66 Å²	66	16%	0.161	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	134.9	178.6	-71	-99.2	0	0	0	112	I56 N65 W68 F71	I56-Y73 HydrophobicContact CB-CD1 3.91Å; I56-Y73 HydrophobicContact CB-CE1 3.97Å; I56-Y73 HydrophobicContact CD1-CD1 4.44Å; I56-Y73 HydrophobicContact CD1-CE1 3.66Å; I56-Y73 HydrophobicContact CG1-CE1 4.37Å; I56-Y73 HydrophobicContact CG2-CD1 4.13Å; I56-Y73 HydrophobicContact CG2-CE1 4.09Å; I56-Y73 WeakPolarHBondContact O-CA 3.4Å; N65-Y73 HydrophobicContact CB-CD1 3.66Å; N65-Y73 HydrophobicContact CB-CE1 4.07Å; N65-Y73 HydrophobicContact CB-CG 4.15Å; W68-Y73 PolarHBondContact N-OH 3.34Å; F71-Y73 HydrophobicContact CB-CD2 4.47Å; F71-Y73 HydrophobicContact CB-CE2 3.88Å; F71-Y73 VanDerWaalsContact O-CD2 3.26Å; F71-Y73 WeakPolarHBondContact O-CD2 3.42Å; F71-Y73 WeakPolarHBondContact O-CE2 3.37Å
74	V	98.7	Very high	97.6	Very high	39 Å²	39	64.8 Å²	64.8	24%	0.236	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	119.7	169.7	178.6	0	0	0	0	108.3	I56 V57 N58 V76 K96	I56-V74 PolarHBondContact O-N 3.46Å; V57-V74 CarbonylContact C-O 3.37Å; V57-V74 WeakPolarHBondContact CA-O 3.45Å; V57-V74 HydrophobicContact CG2-CB 4.22Å; N58-V74 PolarHBondContact N-O 2.83Å; V74-V76 HydrophobicContact CG1-CG2 4.49Å; V74-K96 HydrophobicContact CG2-CD 4.31Å; V74-K96 HydrophobicContact CG2-CG 4.14Å
75	K	98.6	Very high	97.6	Very high	70 Å²	70	63.1 Å²	63.1	30%	0.304	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	126.5	178.8	-173.6	66.2	162.3	169.7	0	109.6	N58 T60 I61 I63	N58-K75 HydrophobicContact CB-CD 4.08Å; N58-K75 PolarHBondContact ND2-NZ 3.39Å; T60-K75 WeakPolarHBondContact O-CE 3.39Å; T60-K75 PolarHBondContact O-NZ 2.9Å; T60-K75 PolarHBondContact OG1-NZ 3.14Å; I61-K75 PolarHBondContact O-NZ 3.34Å; I63-K75 PolarHBondContact O-NZ 3.42Å
76	V	98.6	Very high	97.7	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.012	32%	0.321	C	S	.	.			trans	-116.5	91.2	172	176.5	0	0	0	0	107.1	V57 N58 A59 T60 V74 L78 Y89 V93	V57-V76 HydrophobicContact CG1-CG2 4.09Å; N58-V76 PolarHBondContact O-N 2.89Å; A59-V76 CarbonylContact C-O 3.51Å; A59-V76 WeakPolarHBondContact CA-O 3.49Å; A59-V76 HydrophobicContact CB-CB 4.48Å; T60-V76 PolarHBondContact N-O 3.41Å; T60-V76 VanDerWaalsContact N-O 3.15Å; V74-V76 HydrophobicContact CG1-CG2 4.49Å; V76-L78 VanDerWaalsContact C-N 3.29Å; V76-L78 HydrophobicContact CG1-CD1 3.51Å; V76-L78 HydrophobicContact CG1-CG 3.88Å; V76-L78 PolarHBondContact O-N 3.18Å; V76-Y89 HydrophobicContact CB-CD1 4.35Å; V76-Y89 HydrophobicContact CG1-CD1 3.71Å; V76-Y89 HydrophobicContact CG1-CD2 3.82Å; V76-Y89 HydrophobicContact CG1-CE1 4.04Å; V76-Y89 HydrophobicContact CG1-CE2 4.13Å; V76-Y89 HydrophobicContact CG1-CG 3.58Å; V76-Y89 HydrophobicContact CG2-CD1 3.97Å; V76-Y89 HydrophobicContact CG2-CE1 4.46Å; V76-Y89 HydrophobicContact CG2-CG 4.45Å; V76-V93 HydrophobicContact CG2-CG2 3.75Å
77	P	98.1	Very high	97.9	Very high	59 Å²	59	57.7 Å²	57.7	38%	0.383	31%	0.313	S	S	.	.			trans	-78.5	72.2	-165.6	33.3	-36.9	0	0	0	112.4	T60 I61	T60-P77 WeakPolarHBondContact O-CA 3.23Å; I61-P77 HydrophobicContact CB-CB 4.48Å; I61-P77 HydrophobicContact CG1-CB 4.38Å
78	L	96.5	Very high	98	Very high	9 Å²	9	58.8 Å²	58.8	5%	0.047	32%	0.318	C	S	.	.			trans	-116.2	138.2	-177.6	-64.8	171	0	0	0	112.4	I61 V76 A84 P85 I86 Y89 R117	I61-L78 PolarHBondContact N-O 3.24Å; V76-L78 VanDerWaalsContact C-N 3.29Å; V76-L78 HydrophobicContact CG1-CD1 3.51Å; V76-L78 HydrophobicContact CG1-CG 3.88Å; V76-L78 PolarHBondContact O-N 3.18Å; L78-A84 HydrophobicContact CD2-CB 4.31Å; L78-P85 HydrophobicContact CD2-CG 4.46Å; L78-I86 HydrophobicContact CD1-CB 3.72Å; L78-I86 HydrophobicContact CD1-CD1 4.11Å; L78-I86 HydrophobicContact CD1-CG1 3.58Å; L78-Y89 HydrophobicContact CD1-CD2 3.85Å; L78-Y89 HydrophobicContact CD1-CE2 4.09Å; L78-Y89 HydrophobicContact CD2-CD2 4.47Å; L78-Y89 HydrophobicContact CD2-CE2 3.96Å; L78-Y89 HydrophobicContact CG-CD2 4.41Å; L78-Y89 HydrophobicContact CG-CE2 4.14Å; L78-R117 WeakPolarHBondContact O-CD 3.43Å; L78-R117 PolarHBondContact O-NH1 3.3Å
79	A	97.9	Very high	98.2	Very high	42 Å²	42	57.7 Å²	57.7	35%	0.347	31%	0.314	S	S	.	.			trans	-76.4	156.8	162.4	0	0	0	0	0	110.9	I61 M81 A84	I61-A79 HydrophobicContact CG2-CB 4.44Å; A79-M81 HydrophobicContact CB-CG 3.97Å; A79-M81 PolarHBondContact O-N 3.13Å; A79-A84 WeakPolarHBondContact O-CB 3.4Å
80	D	98.4	Very high	98.3	Very high	57 Å²	57	52.3 Å²	52.3	31%	0.305	28%	0.279	S	S	.	.	S	Bend	trans	-83.1	54.3	177.7	-151.1	-21.3	0	0	0	112.3	S116 R117 N151 F154	D80-S116 VanDerWaalsContact OD1-CB 3.24Å; D80-S116 WeakPolarHBondContact OD1-CB 3.16Å; D80-S116 PolarHBondContact OD1-OG 2.93Å; D80-S116 VanDerWaalsContact OD2-CB 3.26Å; D80-S116 WeakPolarHBondContact OD2-CB 3.24Å; D80-R117 HydrophobicContact CB-CG 4.23Å; D80-R117 IonicContact OD2-NE 3.66Å; D80-N151 PolarHBondContact OD1-ND2 3.35Å; D80-N151 VanDerWaalsContact OD1-ND2 3.07Å; D80-F154 WeakPolarHBondContact OD1-CE2 3.41Å
81	M	98.5	Very high	98.4	Very high	88 Å²	88	52 Å²	52	43%	0.433	28%	0.279	S	S	.	.			trans	-113.3	144.7	-174.1	-63.3	-57.9	-72.7	0	0	111	A79 H83 A84 F154	A79-M81 HydrophobicContact CB-CG 3.97Å; A79-M81 PolarHBondContact O-N 3.13Å; M81-H83 PolarHBondContact O-N 3.27Å; M81-H83 VanDerWaalsContact O-N 3.1Å; M81-A84 HydrophobicContact CB-CB 4.47Å; M81-A84 WeakPolarHBondContact O-CB 3.28Å; M81-A84 PolarHBondContact O-N 3.47Å; M81-F154 WeakPolarHBondContact O-CE1 3.31Å
82	P	97.9	Very high	98.4	Very high	50 Å²	50	55.5 Å²	55.5	33%	0.325	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-25.9	179	-27.6	35.6	0	0	0	115.5	N151 V152 G153	P82-N151 WeakPolarHBondContact CA-OD1 3.44Å; P82-V152 HydrophobicContact CB-CG2 4.45Å; P82-V152 HydrophobicContact CG-CG2 4.4Å; P82-G153 VanDerWaalsContact O-CA 3.3Å; P82-G153 WeakPolarHBondContact O-CA 3.33Å
83	H	97.9	Very high	98.4	Very high	150 Å²	150	50.8 Å²	50.8	69%	0.694	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-4.8	178.5	57	-96.5	0	0	0	113.3	M81	M81-H83 PolarHBondContact O-N 3.27Å; M81-H83 VanDerWaalsContact O-N 3.1Å
84	A	98.6	Very high	98.5	Very high	8 Å²	8	48.9 Å²	48.9	7%	0.066	27%	0.273	C	S	.	.	S	Bend	trans	-68.2	131.2	177.5	0	0	0	0	0	109.8	L78 A79 M81 I86 F154 Q157	L78-A84 HydrophobicContact CD2-CB 4.31Å; A79-A84 WeakPolarHBondContact O-CB 3.4Å; M81-A84 HydrophobicContact CB-CB 4.47Å; M81-A84 WeakPolarHBondContact O-CB 3.28Å; M81-A84 PolarHBondContact O-N 3.47Å; A84-I86 PolarHBondContact O-N 3.34Å; A84-F154 HydrophobicContact CB-CE1 4.09Å; A84-F154 HydrophobicContact CB-CZ 4.4Å; A84-Q157 PolarHBondContact O-NE2 2.83Å
85	P	98.5	Very high	98.5	Very high	64 Å²	64	50.3 Å²	50.3	42%	0.416	28%	0.279	S	S	.	.			trans	-83.5	60.2	-170.1	35.6	-38.5	0	0	0	111.8	L78 G87 L88	L78-P85 HydrophobicContact CD2-CG 4.46Å; P85-G87 PolarHBondContact O-N 2.85Å; P85-L88 HydrophobicContact CB-CD1 3.78Å; P85-L88 HydrophobicContact CB-CG 4.06Å; P85-L88 HydrophobicContact CG-CD1 4.08Å; P85-L88 WeakPolarHBondContact O-CB 3.26Å; P85-L88 PolarHBondContact O-N 3.29Å
86	I	98.9	Very high	98.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-60.8	-26.8	-178.4	-164	159.6	0	0	0	113.4	L78 A84 L88 Y89 F90 R117 T120 L121 F154	L78-I86 HydrophobicContact CD1-CB 3.72Å; L78-I86 HydrophobicContact CD1-CD1 4.11Å; L78-I86 HydrophobicContact CD1-CG1 3.58Å; A84-I86 PolarHBondContact O-N 3.34Å; I86-L88 PolarHBondContact O-N 3.14Å; I86-Y89 WeakPolarHBondContact O-CB 3.35Å; I86-Y89 PolarHBondContact O-N 3.4Å; I86-F90 HydrophobicContact CB-CE1 4.49Å; I86-F90 HydrophobicContact CG1-CE1 4.15Å; I86-F90 HydrophobicContact CG2-CE1 3.93Å; I86-F90 HydrophobicContact CG2-CZ 4.03Å; I86-F90 WeakPolarHBondContact O-CD1 3.5Å; I86-R117 HydrophobicContact CD1-CB 4.28Å; I86-R117 HydrophobicContact CD1-CG 4.39Å; I86-T120 HydrophobicContact CD1-CG2 4.08Å; I86-T120 HydrophobicContact CG1-CG2 4.49Å; I86-T120 HydrophobicContact CG2-CG2 4.07Å; I86-L121 HydrophobicContact CD1-CD2 4.34Å; I86-L121 HydrophobicContact CD1-CG 4.2Å; I86-L121 HydrophobicContact CG1-CD2 3.92Å; I86-L121 HydrophobicContact CG1-CG 4.33Å; I86-F154 HydrophobicContact CB-CD1 4.01Å; I86-F154 HydrophobicContact CB-CE1 3.81Å; I86-F154 HydrophobicContact CB-CZ 4.25Å; I86-F154 HydrophobicContact CD1-CD2 4.11Å; I86-F154 HydrophobicContact CD1-CE1 4.31Å; I86-F154 HydrophobicContact CD1-CE2 3.86Å; I86-F154 HydrophobicContact CD1-CG 4.47Å; I86-F154 HydrophobicContact CD1-CZ 3.96Å; I86-F154 HydrophobicContact CG2-CB 4.26Å; I86-F154 HydrophobicContact CG2-CD1 3.27Å; I86-F154 HydrophobicContact CG2-CD2 4.45Å; I86-F154 HydrophobicContact CG2-CE1 3.62Å; I86-F154 HydrophobicContact CG2-CG 3.75Å; I86-F154 HydrophobicContact CG2-CZ 4.36Å
87	G	98.7	Very high	98.5	Very high	25 Å²	25	48.8 Å²	48.8	26%	0.258	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-62.2	-28.2	178.6	0	0	0	0	0	113.7	P85 Y89 F90	P85-G87 PolarHBondContact O-N 2.85Å; G87-Y89 PolarHBondContact O-N 3.41Å; G87-Y89 VanDerWaalsContact O-N 3.1Å; G87-F90 PolarHBondContact O-N 2.82Å; G87-F90 VanDerWaalsContact O-N 3.15Å
88	L	98.7	Very high	98.5	Very high	136 Å²	136	49 Å²	49	71%	0.712	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-62.6	-17.5	173.9	-61.3	179.7	0	0	0	112.8	P85 I86	P85-L88 HydrophobicContact CB-CD1 3.78Å; P85-L88 HydrophobicContact CB-CG 4.06Å; P85-L88 HydrophobicContact CG-CD1 4.08Å; P85-L88 WeakPolarHBondContact O-CB 3.26Å; P85-L88 PolarHBondContact O-N 3.29Å; I86-L88 PolarHBondContact O-N 3.14Å
89	Y	98.9	Very high	98.6	Very high	66 Å²	66	50.7 Å²	50.7	26%	0.259	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-104.7	-1.8	-179.1	-63.1	-86.5	0	0	0	113.4	V76 L78 I86 G87 T92 V93	V76-Y89 HydrophobicContact CB-CD1 4.35Å; V76-Y89 HydrophobicContact CG1-CD1 3.71Å; V76-Y89 HydrophobicContact CG1-CD2 3.82Å; V76-Y89 HydrophobicContact CG1-CE1 4.04Å; V76-Y89 HydrophobicContact CG1-CE2 4.13Å; V76-Y89 HydrophobicContact CG1-CG 3.58Å; V76-Y89 HydrophobicContact CG2-CD1 3.97Å; V76-Y89 HydrophobicContact CG2-CE1 4.46Å; V76-Y89 HydrophobicContact CG2-CG 4.45Å; L78-Y89 HydrophobicContact CD1-CD2 3.85Å; L78-Y89 HydrophobicContact CD1-CE2 4.09Å; L78-Y89 HydrophobicContact CD2-CD2 4.47Å; L78-Y89 HydrophobicContact CD2-CE2 3.96Å; L78-Y89 HydrophobicContact CG-CD2 4.41Å; L78-Y89 HydrophobicContact CG-CE2 4.14Å; I86-Y89 WeakPolarHBondContact O-CB 3.35Å; I86-Y89 PolarHBondContact O-N 3.4Å; G87-Y89 PolarHBondContact O-N 3.41Å; G87-Y89 VanDerWaalsContact O-N 3.1Å; Y89-T92 PolarHBondContact O-OG1 2.98Å; Y89-V93 WeakPolarHBondContact O-CB 3.34Å; Y89-V93 VanDerWaalsContact O-CG2 3.26Å; Y89-V93 WeakPolarHBondContact O-CG2 3.41Å; Y89-V93 PolarHBondContact O-N 3.29Å
90	F	98.9	Very high	98.7	Very high	3 Å²	3	49 Å²	49	1%	0.013	27%	0.266	C	S	.	.	H	α-helix	trans	-60.4	-53.5	-176.4	-71.8	-12.9	0	0	0	112	I86 G87 A94 T120 L121 A124 Q157 L158 Y161	I86-F90 HydrophobicContact CB-CE1 4.49Å; I86-F90 HydrophobicContact CG1-CE1 4.15Å; I86-F90 HydrophobicContact CG2-CE1 3.93Å; I86-F90 HydrophobicContact CG2-CZ 4.03Å; I86-F90 WeakPolarHBondContact O-CD1 3.5Å; G87-F90 PolarHBondContact O-N 2.82Å; G87-F90 VanDerWaalsContact O-N 3.15Å; F90-A94 WeakPolarHBondContact O-CB 3.35Å; F90-A94 PolarHBondContact O-N 3.41Å; F90-T120 HydrophobicContact CE1-CG2 3.71Å; F90-T120 HydrophobicContact CZ-CG2 3.85Å; F90-L121 HydrophobicContact CD1-CD2 4.01Å; F90-L121 HydrophobicContact CE1-CD2 4.36Å; F90-A124 HydrophobicContact CB-CB 4.02Å; F90-A124 HydrophobicContact CD1-CB 3.64Å; F90-A124 HydrophobicContact CD2-CB 4.22Å; F90-A124 HydrophobicContact CE1-CB 4.1Å; F90-A124 HydrophobicContact CG-CB 3.7Å; F90-Q157 HydrophobicContact CE2-CB 4.19Å; F90-Q157 HydrophobicContact CZ-CB 4.17Å; F90-L158 HydrophobicContact CE1-CD2 4.34Å; F90-L158 HydrophobicContact CE2-CD2 4.04Å; F90-L158 HydrophobicContact CE2-CG 4.42Å; F90-L158 HydrophobicContact CZ-CD2 3.74Å; F90-L158 HydrophobicContact CZ-CG 3.98Å; F90-Y161 HydrophobicContact CB-CD1 4.25Å; F90-Y161 HydrophobicContact CB-CD2 4.3Å; F90-Y161 HydrophobicContact CB-CE1 3.97Å; F90-Y161 HydrophobicContact CB-CE2 4Å; F90-Y161 HydrophobicContact CB-CG 4.42Å; F90-Y161 AromaticContact CD2-CD1 3.65Å; F90-Y161 HydrophobicContact CD2-CD1 3.65Å; F90-Y161 AromaticContact CD2-CD2 3.87Å; F90-Y161 HydrophobicContact CD2-CD2 3.87Å; F90-Y161 HydrophobicContact CD2-CE1 4.24Å; F90-Y161 HydrophobicContact CD2-CE2 4.41Å; F90-Y161 AromaticContact CD2-CG 3.45Å; F90-Y161 HydrophobicContact CD2-CG 3.45Å; F90-Y161 VanDerWaalsContact CD2-CG 3.45Å; F90-Y161 HydrophobicContact CE2-CD1 4.32Å; F90-Y161 HydrophobicContact CE2-CG 4.11Å; F90-Y161 HydrophobicContact CG-CD1 4.24Å; F90-Y161 HydrophobicContact CG-CE1 4.41Å; F90-Y161 HydrophobicContact CG-CG 4.35Å
91	D	98.9	Very high	98.7	Very high	68 Å²	68	48 Å²	48	36%	0.364	26%	0.264	S	S	.	.	H	α-helix	trans	-65.8	-49.7	179.9	-72	-48.6	0	0	0	112.1	V93 A94 D95 K128 Y161	D91-V93 PolarHBondContact O-N 3.44Å; D91-A94 PolarHBondContact O-N 2.92Å; D91-D95 VanDerWaalsContact O-CB 3.24Å; D91-D95 WeakPolarHBondContact O-CB 3.31Å; D91-D95 PolarHBondContact O-N 3.03Å; D91-K128 WeakPolarHBondContact OD1-CE 3.22Å; D91-K128 IonicContact OD1-NZ 3.22Å; D91-K128 PolarHBondContact OD1-NZ 2.76Å; D91-Y161 PolarHBondContact OD1-OH 2.87Å
92	T	98.8	Very high	98.7	Very high	87 Å²	87	52.8 Å²	52.8	53%	0.534	28%	0.277	S	S	.	.	H	α-helix	trans	-62	-40.5	-176.4	54.2	0	0	0	0	112.8	Y89 K96	Y89-T92 PolarHBondContact O-OG1 2.98Å; T92-K96 WeakPolarHBondContact O-CB 3.39Å; T92-K96 PolarHBondContact O-N 2.83Å; T92-K96 VanDerWaalsContact O-N 3.08Å
93	V	98.9	Very high	98.7	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.018	29%	0.294	C	S	.	.	H	α-helix	trans	-74.1	-43	177	174.6	0	0	0	0	111.3	V57 V76 Y89 D91 D95 K96 I97 L121	V57-V93 HydrophobicContact CG1-CG1 4.1Å; V57-V93 HydrophobicContact CG1-CG2 4.32Å; V57-V93 HydrophobicContact CG2-CG1 4.47Å; V76-V93 HydrophobicContact CG2-CG2 3.75Å; Y89-V93 WeakPolarHBondContact O-CB 3.34Å; Y89-V93 VanDerWaalsContact O-CG2 3.26Å; Y89-V93 WeakPolarHBondContact O-CG2 3.41Å; Y89-V93 PolarHBondContact O-N 3.29Å; D91-V93 PolarHBondContact O-N 3.44Å; V93-D95 VanDerWaalsContact C-N 3.33Å; V93-D95 PolarHBondContact O-N 3.08Å; V93-K96 PolarHBondContact O-N 2.87Å; V93-I97 HydrophobicContact CG1-CD1 3.82Å; V93-I97 HydrophobicContact CG1-CG1 4.38Å; V93-I97 VanDerWaalsContact O-CG1 3.28Å; V93-I97 WeakPolarHBondContact O-CG1 3.38Å; V93-I97 PolarHBondContact O-N 2.83Å; V93-L121 HydrophobicContact CB-CD2 4.28Å; V93-L121 HydrophobicContact CG1-CB 4.18Å; V93-L121 HydrophobicContact CG1-CD1 4.27Å; V93-L121 HydrophobicContact CG1-CD2 4.43Å; V93-L121 HydrophobicContact CG2-CD1 4.34Å; V93-L121 HydrophobicContact CG2-CD2 4.23Å
94	A	98.9	Very high	98.7	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.008	30%	0.301	C	S	.	.	H	α-helix	trans	-60.5	-45.6	177.7	0	0	0	0	0	111.1	F90 D91 K96 I97 H98 Y125 K128 F129	F90-A94 WeakPolarHBondContact O-CB 3.35Å; F90-A94 PolarHBondContact O-N 3.41Å; D91-A94 PolarHBondContact O-N 2.92Å; A94-K96 VanDerWaalsContact C-N 3.29Å; A94-K96 PolarHBondContact O-N 2.67Å; A94-I97 PolarHBondContact O-N 2.76Å; A94-H98 WeakPolarHBondContact O-CB 3.38Å; A94-H98 PolarHBondContact O-N 2.79Å; A94-Y125 HydrophobicContact CB-CD2 4.21Å; A94-K128 HydrophobicContact CB-CB 4.44Å; A94-K128 HydrophobicContact CB-CD 3.94Å; A94-F129 VanDerWaalsContact C-CE2 3.42Å; A94-F129 HydrophobicContact CB-CD2 4.02Å; A94-F129 HydrophobicContact CB-CE2 3.86Å; A94-F129 WeakPolarHBondContact O-CE2 3.41Å
95	D	98.9	Very high	98.7	Very high	68 Å²	68	59.5 Å²	59.5	36%	0.364	30%	0.303	S	S	.	.	H	α-helix	trans	-64	-37.6	178.7	-65.8	-13.7	0	0	0	110.9	D91 V93 H98 S99 K128 F129	D91-D95 VanDerWaalsContact O-CB 3.24Å; D91-D95 WeakPolarHBondContact O-CB 3.31Å; D91-D95 PolarHBondContact O-N 3.03Å; V93-D95 VanDerWaalsContact C-N 3.33Å; V93-D95 PolarHBondContact O-N 3.08Å; D95-H98 PolarHBondContact O-N 3.3Å; D95-S99 VanDerWaalsContact O-CB 3.26Å; D95-S99 WeakPolarHBondContact O-CB 3.45Å; D95-S99 PolarHBondContact O-N 3.23Å; D95-K128 VanDerWaalsContact CG-NZ 3.3Å; D95-K128 WeakPolarHBondContact OD1-CE 3.48Å; D95-K128 IonicContact OD1-NZ 2.61Å; D95-K128 PolarHBondContact OD1-NZ 2.76Å; D95-K128 IonicContact OD2-NZ 2.8Å; D95-K128 PolarHBondContact OD2-NZ 2.84Å; D95-F129 VanDerWaalsContact OD1-CE2 3.28Å; D95-F129 WeakPolarHBondContact OD1-CE2 3.32Å; D95-F129 WeakPolarHBondContact OD1-CZ 3.37Å
96	K	98.9	Very high	98.7	Very high	40 Å²	40	56.7 Å²	56.7	17%	0.174	29%	0.285	C	S	.	.	H	α-helix	trans	-63.2	-47.9	174	-178.6	65.7	-171.5	178	0	112.1	C55 E72 V74 T92 V93 A94 H98 S99 V100	C55-K96 VanDerWaalsContact SG-CE 3.59Å; E72-K96 WeakPolarHBondContact OE1-CE 3.45Å; E72-K96 IonicContact OE1-NZ 2.6Å; E72-K96 PolarHBondContact OE1-NZ 2.6Å; E72-K96 WeakPolarHBondContact OE2-CE 3.33Å; E72-K96 IonicContact OE2-NZ 2.67Å; E72-K96 PolarHBondContact OE2-NZ 3.26Å; V74-K96 HydrophobicContact CG2-CD 4.31Å; V74-K96 HydrophobicContact CG2-CG 4.14Å; T92-K96 WeakPolarHBondContact O-CB 3.39Å; T92-K96 PolarHBondContact O-N 2.83Å; T92-K96 VanDerWaalsContact O-N 3.08Å; V93-K96 PolarHBondContact O-N 2.87Å; A94-K96 VanDerWaalsContact C-N 3.29Å; A94-K96 PolarHBondContact O-N 2.67Å; K96-H98 VanDerWaalsContact C-N 3.3Å; K96-H98 PolarHBondContact O-N 3.1Å; K96-S99 PolarHBondContact O-N 3.17Å; K96-V100 HydrophobicContact CD-CG2 4.46Å; K96-V100 WeakPolarHBondContact O-CG2 3.18Å; K96-V100 PolarHBondContact O-N 3.17Å
97	I	98.9	Very high	98.7	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58.8	-45.5	176.9	-64.8	160.1	0	0	0	109.9	L34 V93 A94 V100 S101 T107 V109 Y125	L34-I97 HydrophobicContact CB-CG2 4.31Å; L34-I97 HydrophobicContact CD1-CD1 3.94Å; L34-I97 HydrophobicContact CD1-CG1 4.2Å; L34-I97 HydrophobicContact CD1-CG2 3.98Å; L34-I97 HydrophobicContact CD2-CG2 4.43Å; L34-I97 HydrophobicContact CG-CG2 4.47Å; V93-I97 HydrophobicContact CG1-CD1 3.82Å; V93-I97 HydrophobicContact CG1-CG1 4.38Å; V93-I97 VanDerWaalsContact O-CG1 3.28Å; V93-I97 WeakPolarHBondContact O-CG1 3.38Å; V93-I97 PolarHBondContact O-N 2.83Å; A94-I97 PolarHBondContact O-N 2.76Å; I97-V100 PolarHBondContact O-N 3.42Å; I97-S101 WeakPolarHBondContact O-CB 3.33Å; I97-S101 PolarHBondContact O-N 2.9Å; I97-T107 HydrophobicContact CG1-CG2 3.93Å; I97-V109 HydrophobicContact CD1-CG2 3.84Å; I97-V109 HydrophobicContact CG1-CG2 4.31Å; I97-Y125 HydrophobicContact CB-CD2 3.71Å; I97-Y125 HydrophobicContact CB-CE2 3.83Å; I97-Y125 HydrophobicContact CB-CG 4.31Å; I97-Y125 HydrophobicContact CD1-CD2 4.15Å; I97-Y125 HydrophobicContact CD1-CG 3.97Å; I97-Y125 HydrophobicContact CG2-CD1 4.25Å; I97-Y125 HydrophobicContact CG2-CD2 3.65Å; I97-Y125 HydrophobicContact CG2-CE1 4.03Å; I97-Y125 HydrophobicContact CG2-CE2 3.41Å; I97-Y125 VanDerWaalsContact CG2-CE2 3.41Å; I97-Y125 HydrophobicContact CG2-CG 4.06Å
98	H	98.8	Very high	98.7	Very high	63 Å²	63	55.5 Å²	55.5	29%	0.292	27%	0.273	S	S	.	.	H	α-helix	trans	-63.8	-42.8	178.3	-173	71.4	0	0	0	112.3	A94 D95 K96 V100 S101 R102 Y125 F129	A94-H98 WeakPolarHBondContact O-CB 3.38Å; A94-H98 PolarHBondContact O-N 2.79Å; D95-H98 PolarHBondContact O-N 3.3Å; K96-H98 VanDerWaalsContact C-N 3.3Å; K96-H98 PolarHBondContact O-N 3.1Å; H98-V100 PolarHBondContact O-N 3.21Å; H98-S101 WeakPolarHBondContact O-CB 3.26Å; H98-S101 PolarHBondContact O-N 3.1Å; H98-R102 WeakPolarHBondContact NE2-CD 3.39Å; H98-R102 WeakPolarHBondContact O-CG 3.43Å; H98-R102 PolarHBondContact O-N 3.44Å; H98-Y125 HydrophobicContact CB-CE2 4.26Å; H98-F129 HydrophobicContact CB-CD1 3.88Å; H98-F129 HydrophobicContact CB-CD2 3.85Å; H98-F129 HydrophobicContact CB-CE1 3.7Å; H98-F129 HydrophobicContact CB-CE2 3.66Å; H98-F129 HydrophobicContact CB-CG 3.94Å; H98-F129 HydrophobicContact CB-CZ 3.58Å; H98-F129 AromaticContact CD2-CD1 3.84Å; H98-F129 AromaticContact CD2-CE1 3.37Å; H98-F129 WeakPolarHBondContact CD2-CE1 3.47Å; H98-F129 AromaticContact CD2-CZ 3.92Å; H98-F129 AromaticContact CE1-CD1 3.71Å; H98-F129 AromaticContact CE1-CE1 3.99Å; H98-F129 AromaticContact CG-CD1 3.41Å; H98-F129 VanDerWaalsContact CG-CD1 3.41Å; H98-F129 AromaticContact CG-CE1 3.31Å; H98-F129 AromaticContact CG-CG 3.92Å; H98-F129 AromaticContact CG-CZ 3.73Å; H98-F129 AromaticContact ND1-CD1 3.33Å; H98-F129 VanDerWaalsContact ND1-CD1 3.33Å; H98-F129 WeakPolarHBondContact ND1-CD1 3.36Å; H98-F129 AromaticContact ND1-CE1 3.72Å; H98-F129 AromaticContact ND1-CG 3.82Å; H98-F129 AromaticContact NE2-CE1 3.83Å
99	S	98.8	Very high	98.7	Very high	45 Å²	45	49 Å²	49	32%	0.315	24%	0.239	S	C	.	.	H	α-helix	trans	-60.4	-43.4	176.4	-175.6	0	0	0	0	112.4	D95 K96 R102 K103	D95-S99 VanDerWaalsContact O-CB 3.26Å; D95-S99 WeakPolarHBondContact O-CB 3.45Å; D95-S99 PolarHBondContact O-N 3.23Å; K96-S99 PolarHBondContact O-N 3.17Å; S99-R102 PolarHBondContact O-N 2.85Å; S99-K103 WeakPolarHBondContact O-CG 3.35Å; S99-K103 PolarHBondContact O-N 2.87Å
100	V	98.8	Very high	98.7	Very high	7 Å²	7	46 Å²	46	4%	0.042	23%	0.227	C	C	.	.	H	α-helix	trans	-63.9	-44.3	176	170.8	0	0	0	0	111	C55 K96 I97 H98 R102 K103 H104 G105 T107	C55-V100 HydrophobicContact CB-CB 4.49Å; C55-V100 HydrophobicContact CB-CG1 4.16Å; C55-V100 HydrophobicContact CB-CG2 3.62Å; K96-V100 HydrophobicContact CD-CG2 4.46Å; K96-V100 WeakPolarHBondContact O-CG2 3.18Å; K96-V100 PolarHBondContact O-N 3.17Å; I97-V100 PolarHBondContact O-N 3.42Å; H98-V100 PolarHBondContact O-N 3.21Å; V100-R102 PolarHBondContact O-N 3.22Å; V100-K103 CarbonylContact O-C 3.6Å; V100-K103 PolarHBondContact O-N 3.13Å; V100-K103 VanDerWaalsContact O-N 3.08Å; V100-H104 PolarHBondContact O-N 2.91Å; V100-G105 PolarHBondContact O-N 3.05Å; V100-T107 WeakPolarHBondContact CB-OG1 3.48Å; V100-T107 WeakPolarHBondContact CG1-OG1 3.4Å
101	S	98.6	Very high	98.7	Very high	36 Å²	36	45.9 Å²	45.9	25%	0.252	23%	0.226	S	C	.	.	H	α-helix	trans	-57.1	-46.4	175.9	-172.8	0	0	0	0	112.1	S33 I97 H98 K103 H104	S33-S101 WeakPolarHBondContact CB-OG 3.37Å; S33-S101 WeakPolarHBondContact OG-CB 3.44Å; S33-S101 PolarHBondContact OG-OG 3Å; I97-S101 WeakPolarHBondContact O-CB 3.33Å; I97-S101 PolarHBondContact O-N 2.9Å; H98-S101 WeakPolarHBondContact O-CB 3.26Å; H98-S101 PolarHBondContact O-N 3.1Å; S101-K103 PolarHBondContact O-N 3.2Å; S101-H104 PolarHBondContact O-N 3.3Å
102	R	98.5	Very high	98.7	Very high	189 Å²	189	44.5 Å²	44.5	71%	0.713	22%	0.224	S	C	*	.	H	α-helix	trans	-64.7	-20	177.5	-73.4	-166.7	65.4	-165.3	-1	114.1	H98 S99 V100 H104	H98-R102 WeakPolarHBondContact NE2-CD 3.39Å; H98-R102 WeakPolarHBondContact O-CG 3.43Å; H98-R102 PolarHBondContact O-N 3.44Å; S99-R102 PolarHBondContact O-N 2.85Å; V100-R102 PolarHBondContact O-N 3.22Å; R102-H104 VanDerWaalsContact C-N 3.3Å
103	K	98.3	Very high	98.6	Very high	157 Å²	157	42.1 Å²	42.1	68%	0.683	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.2	17.3	173.8	-66.5	176.8	-178.7	-177.6	0	112.5	S99 V100 S101 G105	S99-K103 WeakPolarHBondContact O-CG 3.35Å; S99-K103 PolarHBondContact O-N 2.87Å; V100-K103 CarbonylContact O-C 3.6Å; V100-K103 PolarHBondContact O-N 3.13Å; V100-K103 VanDerWaalsContact O-N 3.08Å; S101-K103 PolarHBondContact O-N 3.2Å; K103-G105 PolarHBondContact O-N 3.37Å
104	H	98	Very high	98.5	Very high	183 Å²	183	42 Å²	42	85%	0.847	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	25.3	-179.5	-49.3	-69.5	0	0	0	114.1	V100 S101 R102	V100-H104 PolarHBondContact O-N 2.91Å; S101-H104 PolarHBondContact O-N 3.3Å; R102-H104 VanDerWaalsContact C-N 3.3Å
105	G	98.4	Very high	98.5	Very high	9 Å²	9	43.8 Å²	43.8	9%	0.093	22%	0.223	C	C	.	.			trans	-103.1	175.9	171.7	0	0	0	0	0	112.5	S33 T54 V100 K103	S33-G105 WeakPolarHBondContact CB-O 3.37Å; T54-G105 WeakPolarHBondContact OG1-CA 3.49Å; V100-G105 PolarHBondContact O-N 3.05Å; K103-G105 PolarHBondContact O-N 3.37Å
106	A	98.8	Very high	98.5	Very high	5 Å²	5	40.8 Å²	40.8	4%	0.041	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	149.4	170.5	0	0	0	0	0	112.2	S33 F35 G52 I53 T54 C55	S33-A106 WeakPolarHBondContact O-CA 3.47Å; F35-A106 HydrophobicContact CD2-CB 4.22Å; F35-A106 HydrophobicContact CE2-CB 3.88Å; G52-A106 PolarHBondContact O-N 3.24Å; I53-A106 CarbonylContact C-O 3.57Å; I53-A106 WeakPolarHBondContact CA-O 3.46Å; I53-A106 HydrophobicContact CG1-CB 4.25Å; T54-A106 PolarHBondContact N-O 3.15Å; C55-A106 PolarHBondContact N-O 2.83Å
107	T	98.9	Very high	98.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	131.9	178.5	-59.1	0	0	0	0	110.9	S33 L34 F35 C55 V57 I97 V100 V109	S33-T107 PolarHBondContact O-N 3.29Å; L34-T107 CarbonylContact C-O 3.52Å; L34-T107 WeakPolarHBondContact CA-O 3.25Å; F35-T107 PolarHBondContact N-O 3.14Å; C55-T107 HydrophobicContact CB-CG2 4.36Å; C55-T107 CarbonylContact O-C 3.55Å; C55-T107 VanDerWaalsContact O-CA 3.31Å; C55-T107 WeakPolarHBondContact O-CA 3.34Å; V57-T107 HydrophobicContact CG2-CG2 3.69Å; I97-T107 HydrophobicContact CG1-CG2 3.93Å; V100-T107 WeakPolarHBondContact CB-OG1 3.48Å; V100-T107 WeakPolarHBondContact CG1-OG1 3.4Å; T107-V109 HydrophobicContact CG2-CG2 4.18Å
108	L	98.9	Very high	98.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	123.3	161	171.3	62.9	0	0	0	109.4	I27 F35 A42 L48 I53 C55 I56 V57 H110	I27-L108 HydrophobicContact CD1-CD1 4.01Å; I27-L108 HydrophobicContact CG1-CD1 4.32Å; F35-L108 HydrophobicContact CB-CD1 4.08Å; A42-L108 HydrophobicContact CB-CD2 4.47Å; L48-L108 HydrophobicContact CD2-CD2 3.59Å; I53-L108 HydrophobicContact CD1-CB 4.11Å; I53-L108 HydrophobicContact CG2-CB 4.02Å; C55-L108 PolarHBondContact O-N 3.03Å; I56-L108 CarbonylContact C-O 3.14Å; I56-L108 WeakPolarHBondContact CA-O 3.24Å; I56-L108 HydrophobicContact CG2-CD2 4.44Å; V57-L108 PolarHBondContact N-O 3.45Å; L108-H110 HydrophobicContact CD1-CB 4.4Å; L108-H110 HydrophobicContact CD2-CB 4.42Å; L108-H110 HydrophobicContact CG-CB 4.26Å
109	V	98.9	Very high	98.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	116.1	164.2	-172.5	0	0	0	0	108.2	L34 F35 L36 G37 V57 I97 T107 S118 L121	L34-V109 HydrophobicContact CD1-CG2 3.68Å; F35-V109 PolarHBondContact O-N 3.2Å; L36-V109 WeakPolarHBondContact CA-O 3.06Å; G37-V109 PolarHBondContact N-O 3.37Å; V57-V109 HydrophobicContact CB-CB 4.43Å; V57-V109 HydrophobicContact CB-CG1 4.29Å; V57-V109 HydrophobicContact CB-CG2 4.09Å; V57-V109 HydrophobicContact CG1-CG1 4.24Å; V57-V109 HydrophobicContact CG2-CG2 4.37Å; V57-V109 WeakPolarHBondContact O-CA 3.41Å; I97-V109 HydrophobicContact CD1-CG2 3.84Å; I97-V109 HydrophobicContact CG1-CG2 4.31Å; T107-V109 HydrophobicContact CG2-CG2 4.18Å; V109-S118 WeakPolarHBondContact O-CB 3.22Å; V109-L121 HydrophobicContact CG1-CB 4.13Å; V109-L121 HydrophobicContact CG1-CD1 4.1Å
110	H	98.8	Very high	98.5	Very high	3 Å²	3	34.2 Å²	34.2	1%	0.014	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	155	178.3	80.5	88.9	0	0	0	112.1	G37 V57 N58 A59 L108	G37-H110 VanDerWaalsContact O-CA 3.32Å; G37-H110 WeakPolarHBondContact O-CA 3.43Å; G37-H110 WeakPolarHBondContact O-CB 3.32Å; V57-H110 PolarHBondContact O-N 3.23Å; N58-H110 WeakPolarHBondContact CB-NE2 3.41Å; N58-H110 PolarHBondContact OD1-CE1 3.41Å; N58-H110 VanDerWaalsContact OD1-CE1 3.24Å; A59-H110 WeakPolarHBondContact CB-O 3.08Å; A59-H110 PolarHBondContact N-O 3Å; L108-H110 HydrophobicContact CD1-CB 4.4Å; L108-H110 HydrophobicContact CD2-CB 4.42Å; L108-H110 HydrophobicContact CG-CB 4.26Å
111	C	98.3	Very high	98.5	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	-160.8	162.1	68.1	0	0	0	0	108.7	G37 R38 G39 A59 T60 G114 R117 S118	G37-C111 PolarHBondContact O-N 2.92Å; R38-C111 CarbonylContact C-O 3.56Å; G39-C111 WeakPolarHBondContact CA-O 3.16Å; G39-C111 PolarHBondContact N-O 3.36Å; A59-C111 HydrophobicContact CB-CB 4.49Å; T60-C111 VanDerWaalsContact CG2-CA 3.5Å; T60-C111 HydrophobicContact CG2-CB 4.01Å; C111-G114 PolarHBondContact SG-N 2.68Å; C111-R117 HydrophobicContact CB-CB 3.73Å; C111-S118 PolarHBondContact SG-OG 3.5Å; C111-S118 VanDerWaalsContact SG-OG 3.32Å
112	A	97.6	Very high	98.5	Very high	38 Å²	38	32.2 Å²	32.2	31%	0.314	16%	0.159	S	C	.	.	S	Bend	trans	-61.5	-60.8	177.9	0	0	0	0	0	112.6	G39 I63	G39-A112 PolarHBondContact N-O 3.02Å; G39-A112 VanDerWaalsContact N-O 3.1Å; I63-A112 HydrophobicContact CD1-CB 4.05Å
113	A	97.4	Very high	98.6	Very high	37 Å²	37	23.2 Å²	23.2	31%	0.306	13%	0.125	S	C	.	.	S	Bend	trans	-96.7	-9.2	-175.4	0	0	0	0	0	114.3	R38 V115 R145	R38-A113 WeakPolarHBondContact CG-O 3.28Å; A113-V115 VanDerWaalsContact C-N 3.29Å; A113-V115 HydrophobicContact CB-CB 4.17Å; A113-V115 HydrophobicContact CB-CG2 3.77Å; A113-V115 PolarHBondContact O-N 3.13Å; A113-R145 PolarHBondContact O-NH2 2.91Å
114	G	97.8	Very high	98.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	61.4	38.7	-170.6	0	0	0	0	0	112.3	L36 G37 C111 S118 R145	L36-G114 WeakPolarHBondContact CD2-O 3.2Å; G37-G114 VanDerWaalsContact O-CA 3.22Å; G37-G114 WeakPolarHBondContact O-CA 3.33Å; C111-G114 PolarHBondContact SG-N 2.68Å; G114-S118 WeakPolarHBondContact CA-OG 3.32Å; G114-R145 PolarHBondContact O-NE 2.71Å
115	V	98.5	Very high	98.6	Very high	39 Å²	39	7.2 Å²	7.2	24%	0.236	5%	0.053	C	C	.	.	S	Bend	trans	-116.9	-50.5	-172.7	168.9	0	0	0	0	112	A113 A119 V147 I148 R149	A113-V115 VanDerWaalsContact C-N 3.29Å; A113-V115 HydrophobicContact CB-CB 4.17Å; A113-V115 HydrophobicContact CB-CG2 3.77Å; A113-V115 PolarHBondContact O-N 3.13Å; V115-A119 WeakPolarHBondContact O-CB 3.4Å; V115-V147 WeakPolarHBondContact CG1-O 3.22Å; V115-V147 HydrophobicContact CG2-CG2 4.34Å; V115-I148 WeakPolarHBondContact O-CA 3.48Å; V115-R149 HydrophobicContact CG1-CB 3.84Å; V115-R149 CarbonylContact O-C 3.57Å; V115-R149 PolarHBondContact O-N 3.31Å
116	S	98.8	Very high	98.7	Very high	5 Å²	5	6.8 Å²	6.8	4%	0.035	5%	0.048	C	C	.	.	S	Bend	trans	-115.6	-71.4	-170.1	166	0	0	0	0	112.8	D80 S118 A119 T120 N151 F154	D80-S116 VanDerWaalsContact OD1-CB 3.24Å; D80-S116 WeakPolarHBondContact OD1-CB 3.16Å; D80-S116 PolarHBondContact OD1-OG 2.93Å; D80-S116 VanDerWaalsContact OD2-CB 3.26Å; D80-S116 WeakPolarHBondContact OD2-CB 3.24Å; S116-S118 PolarHBondContact O-N 2.76Å; S116-A119 PolarHBondContact O-N 3Å; S116-T120 WeakPolarHBondContact O-CB 3.49Å; S116-T120 PolarHBondContact O-N 3.08Å; S116-T120 PolarHBondContact O-OG1 3.29Å; S116-N151 PolarHBondContact OG-N 3.47Å; S116-N151 VanDerWaalsContact OG-N 3.14Å; S116-F154 WeakPolarHBondContact OG-CD2 3.31Å; S116-F154 WeakPolarHBondContact OG-CE2 3.27Å
117	R	98.9	Very high	98.7	Very high	10 Å²	10	6.6 Å²	6.6	4%	0.038	5%	0.046	C	C	.	.	H	α-helix	trans	-53.3	-56.2	-177.6	-70.8	168.4	-74.8	174.6	-0.6	114.3	A59 E62 L78 D80 I86 C111 A119 T120 L121 F154	A59-R117 HydrophobicContact CB-CB 4.22Å; A59-R117 VanDerWaalsContact O-CD 3.26Å; A59-R117 WeakPolarHBondContact O-CD 3.37Å; E62-R117 VanDerWaalsContact CD-NH1 3.3Å; E62-R117 IonicContact OE1-CZ 3.55Å; E62-R117 VanDerWaalsContact OE1-CZ 3.27Å; E62-R117 IonicContact OE1-NH1 3.27Å; E62-R117 PolarHBondContact OE1-NH1 2.9Å; E62-R117 IonicContact OE1-NH2 2.76Å; E62-R117 PolarHBondContact OE1-NH2 3.3Å; E62-R117 IonicContact OE2-CZ 2.74Å; E62-R117 IonicContact OE2-NH1 3.92Å; E62-R117 PolarHBondContact OE2-NH1 3.26Å; L78-R117 WeakPolarHBondContact O-CD 3.43Å; L78-R117 PolarHBondContact O-NH1 3.3Å; D80-R117 HydrophobicContact CB-CG 4.23Å; D80-R117 IonicContact OD2-NE 3.66Å; I86-R117 HydrophobicContact CD1-CB 4.28Å; I86-R117 HydrophobicContact CD1-CG 4.39Å; C111-R117 HydrophobicContact CB-CB 3.73Å; R117-A119 PolarHBondContact O-N 3.25Å; R117-T120 WeakPolarHBondContact O-CB 3.34Å; R117-T120 PolarHBondContact O-N 3.47Å; R117-L121 PolarHBondContact O-N 2.95Å; R117-F154 HydrophobicContact CB-CE2 4.29Å; R117-F154 HydrophobicContact CG-CE2 3.5Å; R117-F154 VanDerWaalsContact CG-CE2 3.5Å; R117-F154 HydrophobicContact CG-CZ 3.85Å
118	S	98.8	Very high	98.7	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-65.2	-40.3	-179.4	54.7	0	0	0	0	112.8	V109 C111 G114 S116 T120 L121 C122	V109-S118 WeakPolarHBondContact O-CB 3.22Å; C111-S118 PolarHBondContact SG-OG 3.5Å; C111-S118 VanDerWaalsContact SG-OG 3.32Å; G114-S118 WeakPolarHBondContact CA-OG 3.32Å; S116-S118 PolarHBondContact O-N 2.76Å; S118-T120 VanDerWaalsContact C-N 3.3Å; S118-T120 PolarHBondContact O-N 2.82Å; S118-L121 PolarHBondContact O-N 3.33Å; S118-C122 PolarHBondContact O-N 3.41Å; S118-C122 PolarHBondContact O-SG 3.49Å
119	A	98.9	Very high	98.7	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-59.2	-42.8	175.6	0	0	0	0	0	111.7	L36 V115 S116 R117 L121 C122 I123 I148 P150	L36-A119 HydrophobicContact CD1-CB 3.92Å; V115-A119 WeakPolarHBondContact O-CB 3.4Å; S116-A119 PolarHBondContact O-N 3Å; R117-A119 PolarHBondContact O-N 3.25Å; A119-L121 PolarHBondContact O-N 2.94Å; A119-C122 PolarHBondContact O-N 3.42Å; A119-I123 VanDerWaalsContact O-CG1 3.22Å; A119-I123 WeakPolarHBondContact O-CG1 3.48Å; A119-I123 PolarHBondContact O-N 3.26Å; A119-I148 HydrophobicContact CB-CB 3.87Å; A119-I148 HydrophobicContact CB-CG2 3.65Å; A119-P150 HydrophobicContact CB-CG 4.36Å
120	T	98.9	Very high	98.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-58.8	-47.8	178.1	-53.6	0	0	0	0	111.3	I86 F90 S116 R117 S118 C122 I123 A124 F154 L158	I86-T120 HydrophobicContact CD1-CG2 4.08Å; I86-T120 HydrophobicContact CG1-CG2 4.49Å; I86-T120 HydrophobicContact CG2-CG2 4.07Å; F90-T120 HydrophobicContact CE1-CG2 3.71Å; F90-T120 HydrophobicContact CZ-CG2 3.85Å; S116-T120 WeakPolarHBondContact O-CB 3.49Å; S116-T120 PolarHBondContact O-N 3.08Å; S116-T120 PolarHBondContact O-OG1 3.29Å; R117-T120 WeakPolarHBondContact O-CB 3.34Å; R117-T120 PolarHBondContact O-N 3.47Å; S118-T120 VanDerWaalsContact C-N 3.3Å; S118-T120 PolarHBondContact O-N 2.82Å; T120-C122 PolarHBondContact O-N 3.32Å; T120-I123 PolarHBondContact O-N 3.32Å; T120-A124 PolarHBondContact O-N 3.49Å; T120-F154 HydrophobicContact CG2-CB 3.82Å; T120-F154 HydrophobicContact CG2-CD2 4.39Å; T120-F154 HydrophobicContact CG2-CG 4.25Å; T120-F154 WeakPolarHBondContact OG1-CD2 3.48Å; T120-L158 HydrophobicContact CG2-CD1 3.76Å; T120-L158 HydrophobicContact CG2-CD2 4.09Å; T120-L158 HydrophobicContact CG2-CG 3.8Å
121	L	98.9	Very high	98.6	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-65.5	-38.4	178.1	-65.4	173.1	0	0	0	112.3	A59 I86 F90 V93 V109 R117 S118 A119 A124 Y125	A59-L121 HydrophobicContact CB-CD1 3.61Å; I86-L121 HydrophobicContact CD1-CD2 4.34Å; I86-L121 HydrophobicContact CD1-CG 4.2Å; I86-L121 HydrophobicContact CG1-CD2 3.92Å; I86-L121 HydrophobicContact CG1-CG 4.33Å; F90-L121 HydrophobicContact CD1-CD2 4.01Å; F90-L121 HydrophobicContact CE1-CD2 4.36Å; V93-L121 HydrophobicContact CB-CD2 4.28Å; V93-L121 HydrophobicContact CG1-CB 4.18Å; V93-L121 HydrophobicContact CG1-CD1 4.27Å; V93-L121 HydrophobicContact CG1-CD2 4.43Å; V93-L121 HydrophobicContact CG2-CD1 4.34Å; V93-L121 HydrophobicContact CG2-CD2 4.23Å; V109-L121 HydrophobicContact CG1-CB 4.13Å; V109-L121 HydrophobicContact CG1-CD1 4.1Å; R117-L121 PolarHBondContact O-N 2.95Å; S118-L121 PolarHBondContact O-N 3.33Å; A119-L121 PolarHBondContact O-N 2.94Å; L121-A124 PolarHBondContact O-N 3.3Å; L121-Y125 PolarHBondContact O-N 3.42Å
122	C	98.9	Very high	98.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.2	-42.1	174.1	-67.7	0	0	0	0	112.2	L34 S118 A119 T120 Y125 L126 V141	L34-C122 HydrophobicContact CD2-CB 4.25Å; S118-C122 PolarHBondContact O-N 3.41Å; S118-C122 PolarHBondContact O-SG 3.49Å; A119-C122 PolarHBondContact O-N 3.42Å; T120-C122 PolarHBondContact O-N 3.32Å; C122-Y125 PolarHBondContact O-N 2.76Å; C122-L126 WeakPolarHBondContact O-CG 3.49Å; C122-L126 PolarHBondContact O-N 2.87Å; C122-V141 HydrophobicContact CB-CG2 4.33Å
123	I	98.9	Very high	98.7	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.2	-46.1	177.4	-69.2	164.7	0	0	0	110.2	A119 T120 Y125 L126 M127 L134 A137 Y138 V141 P150 L158	A119-I123 VanDerWaalsContact O-CG1 3.22Å; A119-I123 WeakPolarHBondContact O-CG1 3.48Å; A119-I123 PolarHBondContact O-N 3.26Å; T120-I123 PolarHBondContact O-N 3.32Å; I123-Y125 VanDerWaalsContact C-N 3.33Å; I123-Y125 PolarHBondContact O-N 3.06Å; I123-L126 PolarHBondContact O-N 2.94Å; I123-M127 HydrophobicContact CG2-CE 4.39Å; I123-M127 PolarHBondContact O-N 2.81Å; I123-L134 HydrophobicContact CG2-CD1 3.5Å; I123-L134 VanDerWaalsContact CG2-CD1 3.5Å; I123-A137 HydrophobicContact CG2-CB 3.83Å; I123-Y138 HydrophobicContact CD1-CD2 4Å; I123-V141 HydrophobicContact CG1-CB 4.4Å; I123-V141 HydrophobicContact CG1-CG2 3.93Å; I123-P150 HydrophobicContact CD1-CG 4.2Å; I123-L158 HydrophobicContact CB-CD1 4.39Å; I123-L158 HydrophobicContact CB-CD2 4.35Å; I123-L158 HydrophobicContact CD1-CD1 4.42Å; I123-L158 HydrophobicContact CG2-CD1 4.03Å; I123-L158 HydrophobicContact CG2-CD2 3.95Å
124	A	98.9	Very high	98.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-58.1	-43.8	175.9	0	0	0	0	0	112.2	F90 T120 L121 M127 K128 L158 Y161	F90-A124 HydrophobicContact CB-CB 4.02Å; F90-A124 HydrophobicContact CD1-CB 3.64Å; F90-A124 HydrophobicContact CD2-CB 4.22Å; F90-A124 HydrophobicContact CE1-CB 4.1Å; F90-A124 HydrophobicContact CG-CB 3.7Å; T120-A124 PolarHBondContact O-N 3.49Å; L121-A124 PolarHBondContact O-N 3.3Å; A124-M127 PolarHBondContact O-N 2.88Å; A124-K128 PolarHBondContact O-N 3.24Å; A124-L158 HydrophobicContact CB-CD2 4.03Å; A124-Y161 HydrophobicContact CB-CD1 4.12Å; A124-Y161 HydrophobicContact CB-CE1 3.97Å
125	Y	98.9	Very high	98.8	Very high	4 Å²	4	23 Å²	23	2%	0.016	12%	0.118	C	C	.	.	H	α-helix	trans	-60.6	-45.4	174.9	163	-96.3	0	0	0	113	T31 L34 A94 I97 H98 L121 C122 I123 M127 K128 F129 H130	T31-Y125 HydrophobicContact CG2-CE1 4.3Å; L34-Y125 HydrophobicContact CD2-CD1 3.38Å; L34-Y125 HydrophobicContact CD2-CE1 3.69Å; L34-Y125 HydrophobicContact CD2-CG 4.24Å; A94-Y125 HydrophobicContact CB-CD2 4.21Å; I97-Y125 HydrophobicContact CB-CD2 3.71Å; I97-Y125 HydrophobicContact CB-CE2 3.83Å; I97-Y125 HydrophobicContact CB-CG 4.31Å; I97-Y125 HydrophobicContact CD1-CD2 4.15Å; I97-Y125 HydrophobicContact CD1-CG 3.97Å; I97-Y125 HydrophobicContact CG2-CD1 4.25Å; I97-Y125 HydrophobicContact CG2-CD2 3.65Å; I97-Y125 HydrophobicContact CG2-CE1 4.03Å; I97-Y125 HydrophobicContact CG2-CE2 3.41Å; I97-Y125 VanDerWaalsContact CG2-CE2 3.41Å; I97-Y125 HydrophobicContact CG2-CG 4.06Å; H98-Y125 HydrophobicContact CB-CE2 4.26Å; L121-Y125 PolarHBondContact O-N 3.42Å; C122-Y125 PolarHBondContact O-N 2.76Å; I123-Y125 VanDerWaalsContact C-N 3.33Å; I123-Y125 PolarHBondContact O-N 3.06Å; Y125-M127 VanDerWaalsContact C-N 3.31Å; Y125-M127 PolarHBondContact O-N 3.1Å; Y125-K128 PolarHBondContact O-N 3.29Å; Y125-F129 HydrophobicContact CD2-CB 4.2Å; Y125-F129 AromaticContact CD2-CD2 3.71Å; Y125-F129 HydrophobicContact CD2-CD2 3.71Å; Y125-F129 HydrophobicContact CD2-CG 4.35Å; Y125-F129 HydrophobicContact CE2-CB 3.78Å; Y125-F129 AromaticContact CE2-CD2 3.82Å; Y125-F129 HydrophobicContact CE2-CD2 3.82Å; Y125-F129 HydrophobicContact CE2-CG 4.06Å; Y125-F129 PolarHBondContact O-N 3.15Å; Y125-H130 AromaticContact CE1-CD2 3.64Å; Y125-H130 AromaticContact CE1-NE2 3.5Å; Y125-H130 AromaticContact CZ-CD2 3.87Å; Y125-H130 AromaticContact CZ-NE2 3.58Å; Y125-H130 PolarHBondContact OH-NE2 2.87Å; Y125-H130 VanDerWaalsContact OH-NE2 3.13Å
126	L	98.9	Very high	98.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.4	-42.5	178.8	-72	175.7	0	0	0	110.9	I30 T31 C122 I123 H130 N131 V132 A137 W140 V141	I30-L126 HydrophobicContact CG2-CD1 3.98Å; I30-L126 HydrophobicContact CG2-CD2 4.32Å; I30-L126 HydrophobicContact CG2-CG 4.43Å; T31-L126 HydrophobicContact CG2-CD2 3.82Å; C122-L126 WeakPolarHBondContact O-CG 3.49Å; C122-L126 PolarHBondContact O-N 2.87Å; I123-L126 PolarHBondContact O-N 2.94Å; L126-H130 HydrophobicContact CD2-CB 4.35Å; L126-H130 CarbonylContact O-C 3.4Å; L126-H130 VanDerWaalsContact O-CA 3.31Å; L126-H130 WeakPolarHBondContact O-CA 3.44Å; L126-H130 VanDerWaalsContact O-CB 3.25Å; L126-H130 WeakPolarHBondContact O-CB 3.37Å; L126-H130 PolarHBondContact O-N 2.81Å; L126-N131 PolarHBondContact O-N 2.8Å; L126-V132 HydrophobicContact CB-CG2 4.02Å; L126-V132 WeakPolarHBondContact O-CG2 3.15Å; L126-A137 HydrophobicContact CB-CB 3.91Å; L126-A137 HydrophobicContact CD1-CB 4.41Å; L126-W140 HydrophobicContact CD1-CB 4.04Å; L126-W140 HydrophobicContact CD1-CD2 4.27Å; L126-W140 HydrophobicContact CD1-CG 3.87Å; L126-W140 HydrophobicContact CD2-CD2 4.47Å; L126-V141 HydrophobicContact CD1-CG2 3.57Å
127	M	98.9	Very high	98.8	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-58.9	-52.4	174.6	-67.9	-169.4	-67.6	0	0	111.6	I123 A124 Y125 N131 V132 L134 A137 L158 Y161 E162 L165 F166	I123-M127 HydrophobicContact CG2-CE 4.39Å; I123-M127 PolarHBondContact O-N 2.81Å; A124-M127 PolarHBondContact O-N 2.88Å; Y125-M127 VanDerWaalsContact C-N 3.31Å; Y125-M127 PolarHBondContact O-N 3.1Å; M127-N131 PolarHBondContact O-N 3.45Å; M127-V132 WeakPolarHBondContact CA-O 3.26Å; M127-V132 WeakPolarHBondContact CG-O 3.35Å; M127-L134 HydrophobicContact CE-CD1 4.07Å; M127-L134 WeakPolarHBondContact SD-CA 3.21Å; M127-L134 HydrophobicContact SD-CB 3.61Å; M127-L134 HydrophobicContact SD-CD1 3.91Å; M127-L134 HydrophobicContact SD-CG 4.32Å; M127-A137 HydrophobicContact CG-CB 3.89Å; M127-L158 HydrophobicContact CE-CD2 3.76Å; M127-Y161 HydrophobicContact CE-CD1 3.75Å; M127-Y161 HydrophobicContact CE-CE1 4.5Å; M127-E162 HydrophobicContact SD-CB 3.92Å; M127-E162 HydrophobicContact SD-CG 4.06Å; M127-L165 HydrophobicContact CB-CD1 3.82Å; M127-F166 HydrophobicContact CB-CE2 4.09Å; M127-F166 HydrophobicContact CB-CZ 4.4Å; M127-F166 HydrophobicContact CG-CE2 4.45Å; M127-F166 WeakPolarHBondContact O-CZ 3.44Å
128	K	98.9	Very high	98.8	Very high	59 Å²	59	25.5 Å²	25.5	26%	0.257	13%	0.127	S	C	.	.	H	α-helix	trans	-65	-44.7	-175.5	-173.9	176.8	-172.5	170.3	0	113.8	D91 A94 D95 A124 Y125 Y161 L165	D91-K128 WeakPolarHBondContact OD1-CE 3.22Å; D91-K128 IonicContact OD1-NZ 3.22Å; D91-K128 PolarHBondContact OD1-NZ 2.76Å; A94-K128 HydrophobicContact CB-CB 4.44Å; A94-K128 HydrophobicContact CB-CD 3.94Å; D95-K128 VanDerWaalsContact CG-NZ 3.3Å; D95-K128 WeakPolarHBondContact OD1-CE 3.48Å; D95-K128 IonicContact OD1-NZ 2.61Å; D95-K128 PolarHBondContact OD1-NZ 2.76Å; D95-K128 IonicContact OD2-NZ 2.8Å; D95-K128 PolarHBondContact OD2-NZ 2.84Å; A124-K128 PolarHBondContact O-N 3.24Å; Y125-K128 PolarHBondContact O-N 3.29Å; K128-Y161 WeakPolarHBondContact CD-OH 3.36Å; K128-L165 HydrophobicContact CB-CD1 4.32Å
129	F	98.8	Very high	98.8	Very high	62 Å²	62	29.3 Å²	29.3	27%	0.272	15%	0.147	S	C	.	.	H	α-helix	trans	-111.2	-12.9	-167.8	-76.5	-71.6	0	0	0	115.3	A94 D95 H98 Y125	A94-F129 VanDerWaalsContact C-CE2 3.42Å; A94-F129 HydrophobicContact CB-CD2 4.02Å; A94-F129 HydrophobicContact CB-CE2 3.86Å; A94-F129 WeakPolarHBondContact O-CE2 3.41Å; D95-F129 VanDerWaalsContact OD1-CE2 3.28Å; D95-F129 WeakPolarHBondContact OD1-CE2 3.32Å; D95-F129 WeakPolarHBondContact OD1-CZ 3.37Å; H98-F129 HydrophobicContact CB-CD1 3.88Å; H98-F129 HydrophobicContact CB-CD2 3.85Å; H98-F129 HydrophobicContact CB-CE1 3.7Å; H98-F129 HydrophobicContact CB-CE2 3.66Å; H98-F129 HydrophobicContact CB-CG 3.94Å; H98-F129 HydrophobicContact CB-CZ 3.58Å; H98-F129 AromaticContact CD2-CD1 3.84Å; H98-F129 AromaticContact CD2-CE1 3.37Å; H98-F129 WeakPolarHBondContact CD2-CE1 3.47Å; H98-F129 AromaticContact CD2-CZ 3.92Å; H98-F129 AromaticContact CE1-CD1 3.71Å; H98-F129 AromaticContact CE1-CE1 3.99Å; H98-F129 AromaticContact CG-CD1 3.41Å; H98-F129 VanDerWaalsContact CG-CD1 3.41Å; H98-F129 AromaticContact CG-CE1 3.31Å; H98-F129 AromaticContact CG-CG 3.92Å; H98-F129 AromaticContact CG-CZ 3.73Å; H98-F129 AromaticContact ND1-CD1 3.33Å; H98-F129 VanDerWaalsContact ND1-CD1 3.33Å; H98-F129 WeakPolarHBondContact ND1-CD1 3.36Å; H98-F129 AromaticContact ND1-CE1 3.72Å; H98-F129 AromaticContact ND1-CG 3.82Å; H98-F129 AromaticContact NE2-CE1 3.83Å; Y125-F129 HydrophobicContact CD2-CB 4.2Å; Y125-F129 AromaticContact CD2-CD2 3.71Å; Y125-F129 HydrophobicContact CD2-CD2 3.71Å; Y125-F129 HydrophobicContact CD2-CG 4.35Å; Y125-F129 HydrophobicContact CE2-CB 3.78Å; Y125-F129 AromaticContact CE2-CD2 3.82Å; Y125-F129 HydrophobicContact CE2-CD2 3.82Å; Y125-F129 HydrophobicContact CE2-CG 4.06Å; Y125-F129 PolarHBondContact O-N 3.15Å
130	H	98.5	Very high	98.8	Very high	67 Å²	67	32.8 Å²	32.8	31%	0.31	16%	0.16	S	C	.	.	H	α-helix	trans	-108.6	1.5	172.7	-68.2	-106.5	0	0	0	112.3	Y125 L126 V132	Y125-H130 AromaticContact CE1-CD2 3.64Å; Y125-H130 AromaticContact CE1-NE2 3.5Å; Y125-H130 AromaticContact CZ-CD2 3.87Å; Y125-H130 AromaticContact CZ-NE2 3.58Å; Y125-H130 PolarHBondContact OH-NE2 2.87Å; Y125-H130 VanDerWaalsContact OH-NE2 3.13Å; L126-H130 HydrophobicContact CD2-CB 4.35Å; L126-H130 CarbonylContact O-C 3.4Å; L126-H130 VanDerWaalsContact O-CA 3.31Å; L126-H130 WeakPolarHBondContact O-CA 3.44Å; L126-H130 VanDerWaalsContact O-CB 3.25Å; L126-H130 WeakPolarHBondContact O-CB 3.37Å; L126-H130 PolarHBondContact O-N 2.81Å; H130-V132 HydrophobicContact CB-CG2 4.35Å; H130-V132 PolarHBondContact O-N 3.28Å
131	N	98.3	Very high	98.8	Very high	130 Å²	130	32.8 Å²	32.8	70%	0.695	16%	0.16	S	C	*	.			trans	53.1	39.6	174.9	-165	50.2	0	0	0	113.2	L126 M127 F166	L126-N131 PolarHBondContact O-N 2.8Å; M127-N131 PolarHBondContact O-N 3.45Å; N131-F166 WeakPolarHBondContact OD1-CE1 3.06Å
132	V	98.8	Very high	98.8	Very high	22 Å²	22	34.7 Å²	34.7	13%	0.133	17%	0.169	C	C	.	.			trans	-107.2	149.5	175.7	-69.1	0	0	0	0	109.8	L126 M127 H130 E136 A137 W140 F166	L126-V132 HydrophobicContact CB-CG2 4.02Å; L126-V132 WeakPolarHBondContact O-CG2 3.15Å; M127-V132 WeakPolarHBondContact CA-O 3.26Å; M127-V132 WeakPolarHBondContact CG-O 3.35Å; H130-V132 HydrophobicContact CB-CG2 4.35Å; H130-V132 PolarHBondContact O-N 3.28Å; V132-E136 HydrophobicContact CB-CB 3.96Å; V132-A137 HydrophobicContact CG2-CB 3.96Å; V132-W140 HydrophobicContact CG1-CZ3 4.48Å; V132-F166 WeakPolarHBondContact O-CE2 3.38Å
133	C	98.8	Very high	98.7	Very high	26 Å²	26	38.5 Å²	38.5	18%	0.176	20%	0.2	C	C	.	.			trans	-72.4	169.7	176.9	72.1	0	0	0	0	111.9	L135 E136 A137 E162 T170	C133-L135 VanDerWaalsContact C-N 3.34Å; C133-L135 PolarHBondContact O-N 2.61Å; C133-E136 PolarHBondContact N-OE2 3.33Å; C133-E136 PolarHBondContact O-N 2.82Å; C133-E136 WeakPolarHBondContact SG-CG 3.3Å; C133-E136 PolarHBondContact SG-OE2 3.4Å; C133-A137 WeakPolarHBondContact O-CB 3.41Å; C133-A137 PolarHBondContact O-N 3.35Å; C133-E162 WeakPolarHBondContact CB-OE1 3.37Å; C133-T170 HydrophobicContact CB-CG2 3.62Å
134	L	98.9	Very high	98.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-59.2	-42.9	-177.8	177.3	54.3	0	0	0	112.5	I123 M127 A137 Y138 W155 L158 I159 E162 T170 V171	I123-L134 HydrophobicContact CG2-CD1 3.5Å; I123-L134 VanDerWaalsContact CG2-CD1 3.5Å; M127-L134 HydrophobicContact CE-CD1 4.07Å; M127-L134 WeakPolarHBondContact SD-CA 3.21Å; M127-L134 HydrophobicContact SD-CB 3.61Å; M127-L134 HydrophobicContact SD-CD1 3.91Å; M127-L134 HydrophobicContact SD-CG 4.32Å; L134-A137 PolarHBondContact O-N 3.41Å; L134-Y138 WeakPolarHBondContact O-CB 3.34Å; L134-Y138 PolarHBondContact O-N 3.06Å; L134-W155 HydrophobicContact CD1-CZ3 4.02Å; L134-W155 HydrophobicContact CD2-CE3 4.27Å; L134-W155 HydrophobicContact CD2-CZ3 4.08Å; L134-W155 HydrophobicContact CG-CZ3 3.98Å; L134-L158 HydrophobicContact CD1-CB 3.84Å; L134-L158 HydrophobicContact CD1-CD1 4.14Å; L134-L158 HydrophobicContact CD1-CD2 4.43Å; L134-L158 HydrophobicContact CD1-CG 4.37Å; L134-L158 HydrophobicContact CD2-CB 4.09Å; L134-I159 HydrophobicContact CD2-CB 4.36Å; L134-I159 HydrophobicContact CD2-CG1 3.61Å; L134-E162 HydrophobicContact CB-CB 4.16Å; L134-E162 HydrophobicContact CB-CG 3.95Å; L134-E162 WeakPolarHBondContact CB-OE1 3.46Å; L134-E162 WeakPolarHBondContact CB-OE2 3.37Å; L134-E162 PolarHBondContact N-OE1 2.86Å; L134-T170 PolarHBondContact N-OG1 2.94Å; L134-V171 HydrophobicContact CB-CG2 4.4Å; L134-V171 HydrophobicContact CD2-CB 3.91Å; L134-V171 HydrophobicContact CD2-CG2 4.07Å; L134-V171 HydrophobicContact CG-CB 4.32Å; L134-V171 HydrophobicContact CG-CG2 3.91Å
135	L	98.8	Very high	98.6	Very high	57 Å²	57	44.5 Å²	44.5	30%	0.298	22%	0.222	S	C	.	.	H	α-helix	trans	-61.8	-44.6	178	179.7	60.3	0	0	0	111.5	C133 N139 T170 V171 V184	C133-L135 VanDerWaalsContact C-N 3.34Å; C133-L135 PolarHBondContact O-N 2.61Å; L135-N139 WeakPolarHBondContact O-CB 3.5Å; L135-N139 PolarHBondContact O-N 3.45Å; L135-N139 PolarHBondContact O-ND2 3.05Å; L135-T170 PolarHBondContact N-OG1 3.43Å; L135-V171 HydrophobicContact CB-CG2 4.1Å; L135-V171 HydrophobicContact CD1-CG2 4.44Å; L135-V184 HydrophobicContact CD1-CG1 3.51Å
136	E	98.8	Very high	98.5	Very high	106 Å²	106	47.4 Å²	47.4	50%	0.495	24%	0.242	S	C	.	.	H	α-helix	trans	-65.4	-46.1	177.1	-72.5	167.8	148.9	0	0	111.7	V132 C133 Y138 N139 W140	V132-E136 HydrophobicContact CB-CB 3.96Å; C133-E136 PolarHBondContact N-OE2 3.33Å; C133-E136 PolarHBondContact O-N 2.82Å; C133-E136 WeakPolarHBondContact SG-CG 3.3Å; C133-E136 PolarHBondContact SG-OE2 3.4Å; E136-Y138 PolarHBondContact O-N 3.38Å; E136-N139 PolarHBondContact O-N 2.71Å; E136-W140 VanDerWaalsContact O-CB 3.32Å; E136-W140 WeakPolarHBondContact O-CB 3.49Å; E136-W140 PolarHBondContact O-N 3.36Å
137	A	98.9	Very high	98.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.6	-43.8	177.3	0	0	0	0	0	111.7	I123 L126 M127 V132 C133 L134 W140 V141	I123-A137 HydrophobicContact CG2-CB 3.83Å; L126-A137 HydrophobicContact CB-CB 3.91Å; L126-A137 HydrophobicContact CD1-CB 4.41Å; M127-A137 HydrophobicContact CG-CB 3.89Å; V132-A137 HydrophobicContact CG2-CB 3.96Å; C133-A137 WeakPolarHBondContact O-CB 3.41Å; C133-A137 PolarHBondContact O-N 3.35Å; L134-A137 PolarHBondContact O-N 3.41Å; A137-W140 WeakPolarHBondContact O-CB 3.41Å; A137-W140 PolarHBondContact O-N 2.99Å; A137-V141 WeakPolarHBondContact O-CG2 3.4Å; A137-V141 PolarHBondContact O-N 2.94Å
138	Y	98.9	Very high	98.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.4	-51.9	174	172.5	-104.9	0	0	0	111.4	I123 L134 E136 W140 V141 K142 I148 W155 V184 Y185 E188	I123-Y138 HydrophobicContact CD1-CD2 4Å; L134-Y138 WeakPolarHBondContact O-CB 3.34Å; L134-Y138 PolarHBondContact O-N 3.06Å; E136-Y138 PolarHBondContact O-N 3.38Å; Y138-W140 VanDerWaalsContact C-N 3.28Å; Y138-W140 PolarHBondContact O-N 3.49Å; Y138-V141 PolarHBondContact O-N 3.11Å; Y138-K142 HydrophobicContact CE1-CB 4.4Å; Y138-K142 HydrophobicContact CE1-CG 4.36Å; Y138-K142 HydrophobicContact CE2-CD 4.47Å; Y138-K142 VanDerWaalsContact O-CB 3.24Å; Y138-K142 WeakPolarHBondContact O-CB 3.42Å; Y138-K142 PolarHBondContact O-N 3.42Å; Y138-K142 VanDerWaalsContact OH-CE 3.31Å; Y138-K142 WeakPolarHBondContact OH-CE 3.29Å; Y138-I148 HydrophobicContact CD2-CD1 3.98Å; Y138-I148 HydrophobicContact CE2-CD1 3.84Å; Y138-I148 HydrophobicContact CE2-CG1 4.18Å; Y138-W155 HydrophobicContact CD1-CH2 4.15Å; Y138-W155 AromaticContact CD2-CH2 3.46Å; Y138-W155 HydrophobicContact CD2-CH2 3.46Å; Y138-W155 VanDerWaalsContact CD2-CH2 3.46Å; Y138-W155 AromaticContact CD2-CZ2 3.42Å; Y138-W155 HydrophobicContact CD2-CZ2 3.42Å; Y138-W155 VanDerWaalsContact CD2-CZ2 3.42Å; Y138-W155 HydrophobicContact CE2-CH2 4.04Å; Y138-W155 AromaticContact CE2-CZ2 3.56Å; Y138-W155 HydrophobicContact CE2-CZ2 3.56Å; Y138-W155 AromaticContact CG-CH2 3.52Å; Y138-W155 HydrophobicContact CG-CH2 3.52Å; Y138-W155 AromaticContact CG-CZ2 3.95Å; Y138-W155 HydrophobicContact CG-CZ2 3.95Å; Y138-V184 HydrophobicContact CD1-CG2 4.46Å; Y138-V184 HydrophobicContact CE1-CB 4.4Å; Y138-V184 HydrophobicContact CE1-CG2 4.2Å; Y138-Y185 HydrophobicContact CE2-CE1 4.41Å; Y138-E188 PolarHBondContact OH-OE1 2.61Å; Y138-E188 VanDerWaalsContact OH-OE1 3.13Å
139	N	98.7	Very high	98.3	Very high	80 Å²	80	55.5 Å²	55.5	43%	0.428	28%	0.279	S	S	.	.	H	α-helix	trans	-61.1	-37.8	-179.7	-72.2	-22.9	0	0	0	112	L135 E136 K142 A143	L135-N139 WeakPolarHBondContact O-CB 3.5Å; L135-N139 PolarHBondContact O-N 3.45Å; L135-N139 PolarHBondContact O-ND2 3.05Å; E136-N139 PolarHBondContact O-N 2.71Å; N139-K142 PolarHBondContact O-N 3.11Å; N139-A143 VanDerWaalsContact O-CB 3.3Å; N139-A143 WeakPolarHBondContact O-CB 3.31Å; N139-A143 PolarHBondContact O-N 3.49Å
140	W	98.8	Very high	98.3	Very high	73 Å²	73	52.6 Å²	52.6	28%	0.277	27%	0.267	S	S	.	.	H	α-helix	trans	-58	-50.8	176.1	-173.9	-50.7	0	0	0	111.5	I30 T31 L126 V132 E136 A137 Y138 R144	I30-W140 PolarHBondContact O-NE1 3.44Å; T31-W140 HydrophobicContact CG2-CZ2 4.46Å; L126-W140 HydrophobicContact CD1-CB 4.04Å; L126-W140 HydrophobicContact CD1-CD2 4.27Å; L126-W140 HydrophobicContact CD1-CG 3.87Å; L126-W140 HydrophobicContact CD2-CD2 4.47Å; V132-W140 HydrophobicContact CG1-CZ3 4.48Å; E136-W140 VanDerWaalsContact O-CB 3.32Å; E136-W140 WeakPolarHBondContact O-CB 3.49Å; E136-W140 PolarHBondContact O-N 3.36Å; A137-W140 WeakPolarHBondContact O-CB 3.41Å; A137-W140 PolarHBondContact O-N 2.99Å; Y138-W140 VanDerWaalsContact C-N 3.28Å; Y138-W140 PolarHBondContact O-N 3.49Å; W140-R144 WeakPolarHBondContact O-CD 3.41Å; W140-R144 PolarHBondContact O-NH1 3.06Å
141	V	98.8	Very high	98.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-70.5	-41.2	-179.9	-174.6	0	0	0	0	110.1	I30 L36 C122 I123 L126 A137 Y138 A143 R144 R145 I148	I30-V141 HydrophobicContact CD1-CG1 3.91Å; I30-V141 HydrophobicContact CG2-CG2 4.1Å; L36-V141 HydrophobicContact CD1-CG1 3.53Å; C122-V141 HydrophobicContact CB-CG2 4.33Å; I123-V141 HydrophobicContact CG1-CB 4.4Å; I123-V141 HydrophobicContact CG1-CG2 3.93Å; L126-V141 HydrophobicContact CD1-CG2 3.57Å; A137-V141 WeakPolarHBondContact O-CG2 3.4Å; A137-V141 PolarHBondContact O-N 2.94Å; Y138-V141 PolarHBondContact O-N 3.11Å; V141-A143 VanDerWaalsContact C-N 3.34Å; V141-A143 PolarHBondContact O-N 2.67Å; V141-R144 PolarHBondContact O-N 3.22Å; V141-R144 VanDerWaalsContact O-N 3.14Å; V141-R145 PolarHBondContact O-N 2.91Å; V141-I148 HydrophobicContact CB-CD1 3.74Å; V141-I148 HydrophobicContact CG1-CD1 3.68Å; V141-I148 HydrophobicContact CG1-CG2 4.04Å
142	K	98.2	Very high	98.3	Very high	43 Å²	43	46.4 Å²	46.4	19%	0.187	24%	0.237	C	C	.	.	H	α-helix	trans	-59	-42.2	178.5	-170.7	68.6	162.3	177.6	0	112.1	Y138 N139 R144 R145 P146 I148	Y138-K142 HydrophobicContact CE1-CB 4.4Å; Y138-K142 HydrophobicContact CE1-CG 4.36Å; Y138-K142 HydrophobicContact CE2-CD 4.47Å; Y138-K142 VanDerWaalsContact O-CB 3.24Å; Y138-K142 WeakPolarHBondContact O-CB 3.42Å; Y138-K142 PolarHBondContact O-N 3.42Å; Y138-K142 VanDerWaalsContact OH-CE 3.31Å; Y138-K142 WeakPolarHBondContact OH-CE 3.29Å; N139-K142 PolarHBondContact O-N 3.11Å; K142-R144 PolarHBondContact O-N 2.76Å; K142-R145 CarbonylContact O-C 3.59Å; K142-R145 PolarHBondContact O-N 2.73Å; K142-P146 WeakPolarHBondContact CD-O 3.23Å; K142-P146 VanDerWaalsContact CE-O 3.27Å; K142-P146 WeakPolarHBondContact CE-O 3.18Å; K142-P146 PolarHBondContact NZ-O 2.99Å; K142-P146 VanDerWaalsContact O-CA 3.23Å; K142-P146 WeakPolarHBondContact O-CA 3.47Å; K142-P146 VanDerWaalsContact O-N 3.1Å; K142-I148 HydrophobicContact CB-CD1 3.94Å; K142-I148 HydrophobicContact CB-CG1 4.15Å; K142-I148 HydrophobicContact CD-CD1 4.23Å; K142-I148 HydrophobicContact CD-CG1 3.54Å; K142-I148 HydrophobicContact CG-CG1 4.47Å; K142-I148 PolarHBondContact NZ-O 3.46Å
143	A	97.8	Very high	98.3	Very high	79 Å²	79	45.4 Å²	45.4	65%	0.653	23%	0.232	S	C	*	.	H	α-helix	trans	-62.5	-30	178.4	0	0	0	0	0	113.3	N139 V141	N139-A143 VanDerWaalsContact O-CB 3.3Å; N139-A143 WeakPolarHBondContact O-CB 3.31Å; N139-A143 PolarHBondContact O-N 3.49Å; V141-A143 VanDerWaalsContact C-N 3.34Å; V141-A143 PolarHBondContact O-N 2.67Å
144	R	97.7	Very high	98.3	Very high	111 Å²	111	44.2 Å²	44.2	42%	0.419	22%	0.224	S	C	.	.	H	α-helix	trans	-95.5	-21.9	-179.6	-70.7	155.6	170.8	86.3	-1.2	113	A28 Q29 I30 W140 V141 K142	A28-R144 WeakPolarHBondContact CB-O 3.36Å; Q29-R144 VanDerWaalsContact O-CD 3.25Å; Q29-R144 WeakPolarHBondContact O-CD 3.44Å; I30-R144 HydrophobicContact CD1-CB 4.17Å; I30-R144 PolarHBondContact O-NE 3.25Å; W140-R144 WeakPolarHBondContact O-CD 3.41Å; W140-R144 PolarHBondContact O-NH1 3.06Å; V141-R144 PolarHBondContact O-N 3.22Å; V141-R144 VanDerWaalsContact O-N 3.14Å; K142-R144 PolarHBondContact O-N 2.76Å
145	R	97.3	Very high	98.3	Very high	15 Å²	15	44.2 Å²	44.2	6%	0.057	22%	0.224	C	C	.	.			trans	-142.9	85.7	175.8	-169.1	169.1	-178.8	74.5	4.7	109.9	A28 A113 G114 V141 K142 V147 I148	A28-R145 HydrophobicContact CB-CB 3.88Å; A28-R145 HydrophobicContact CB-CG 4.39Å; A113-R145 PolarHBondContact O-NH2 2.91Å; G114-R145 PolarHBondContact O-NE 2.71Å; V141-R145 PolarHBondContact O-N 2.91Å; K142-R145 CarbonylContact O-C 3.59Å; K142-R145 PolarHBondContact O-N 2.73Å; R145-V147 HydrophobicContact CG-CG2 3.74Å; R145-V147 PolarHBondContact O-N 3.41Å; R145-I148 HydrophobicContact CB-CG2 4.01Å; R145-I148 HydrophobicContact CG-CG2 3.99Å; R145-I148 WeakPolarHBondContact O-CG2 3.46Å; R145-I148 PolarHBondContact O-N 3.34Å; R145-I148 VanDerWaalsContact O-N 3.08Å
146	P	96.7	Very high	98.4	Very high	66 Å²	66	46.3 Å²	46.3	43%	0.429	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.6	-173	-28	36.6	0	0	0	114.4	K142 I148	K142-P146 WeakPolarHBondContact CD-O 3.23Å; K142-P146 VanDerWaalsContact CE-O 3.27Å; K142-P146 WeakPolarHBondContact CE-O 3.18Å; K142-P146 PolarHBondContact NZ-O 2.99Å; K142-P146 VanDerWaalsContact O-CA 3.23Å; K142-P146 WeakPolarHBondContact O-CA 3.47Å; K142-P146 VanDerWaalsContact O-N 3.1Å; P146-I148 VanDerWaalsContact C-N 3.26Å; P146-I148 PolarHBondContact O-N 3.29Å
147	V	96.8	Very high	98.4	Very high	78 Å²	78	43 Å²	43	47%	0.473	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-7.8	179.9	-59.5	0	0	0	0	114.4	V115 R145 R149	V115-V147 WeakPolarHBondContact CG1-O 3.22Å; V115-V147 HydrophobicContact CG2-CG2 4.34Å; R145-V147 HydrophobicContact CG-CG2 3.74Å; R145-V147 PolarHBondContact O-N 3.41Å; V147-R149 PolarHBondContact O-N 3.23Å
148	I	98.4	Very high	98.4	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.212	C	C	.	.			trans	-60.3	139.8	179.6	68.7	167.6	0	0	0	111	L36 V115 A119 Y138 V141 K142 R145 P146	L36-I148 HydrophobicContact CD1-CG2 4.02Å; V115-I148 WeakPolarHBondContact O-CA 3.48Å; A119-I148 HydrophobicContact CB-CB 3.87Å; A119-I148 HydrophobicContact CB-CG2 3.65Å; Y138-I148 HydrophobicContact CD2-CD1 3.98Å; Y138-I148 HydrophobicContact CE2-CD1 3.84Å; Y138-I148 HydrophobicContact CE2-CG1 4.18Å; V141-I148 HydrophobicContact CB-CD1 3.74Å; V141-I148 HydrophobicContact CG1-CD1 3.68Å; V141-I148 HydrophobicContact CG1-CG2 4.04Å; K142-I148 HydrophobicContact CB-CD1 3.94Å; K142-I148 HydrophobicContact CB-CG1 4.15Å; K142-I148 HydrophobicContact CD-CD1 4.23Å; K142-I148 HydrophobicContact CD-CG1 3.54Å; K142-I148 HydrophobicContact CG-CG1 4.47Å; K142-I148 PolarHBondContact NZ-O 3.46Å; R145-I148 HydrophobicContact CB-CG2 4.01Å; R145-I148 HydrophobicContact CG-CG2 3.99Å; R145-I148 WeakPolarHBondContact O-CG2 3.46Å; R145-I148 PolarHBondContact O-N 3.34Å; R145-I148 VanDerWaalsContact O-N 3.08Å; P146-I148 VanDerWaalsContact C-N 3.26Å; P146-I148 PolarHBondContact O-N 3.29Å
149	R	98.4	Very high	98.4	Very high	150 Å²	150	43.3 Å²	43.3	57%	0.566	21%	0.214	S	C	*	.			trans	-160.7	75.4	179	-161.7	174.2	-177.8	130.2	-0.4	109.5	V115 V147 N151 Y185	V115-R149 HydrophobicContact CG1-CB 3.84Å; V115-R149 CarbonylContact O-C 3.57Å; V115-R149 PolarHBondContact O-N 3.31Å; V147-R149 PolarHBondContact O-N 3.23Å; R149-N151 PolarHBondContact O-N 3.15Å; R149-Y185 WeakPolarHBondContact CA-OH 3.33Å; R149-Y185 HydrophobicContact CG-CE1 4.25Å; R149-Y185 HydrophobicContact CG-CE2 3.94Å; R149-Y185 VanDerWaalsContact CG-OH 3.31Å; R149-Y185 WeakPolarHBondContact CG-OH 3.46Å
150	P	98.8	Very high	98.4	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	21%	0.211	C	C	.	.			trans	-48.1	141.3	170.4	-26.8	34.8	0	0	0	112	A119 I123 F154 W155 Y185	A119-P150 HydrophobicContact CB-CG 4.36Å; I123-P150 HydrophobicContact CD1-CG 4.2Å; P150-F154 HydrophobicContact CB-CB 4.36Å; P150-W155 VanDerWaalsContact O-CD1 3.32Å; P150-W155 PolarHBondContact O-NE1 2.81Å; P150-Y185 VanDerWaalsContact CD-OH 3.29Å; P150-Y185 WeakPolarHBondContact CD-OH 3.3Å; P150-Y185 VanDerWaalsContact N-OH 3.1Å; P150-Y185 PolarHBondContact O-OH 3.01Å
151	N	98.7	Very high	98.4	Very high	26 Å²	26	39.6 Å²	39.6	14%	0.139	20%	0.199	C	C	.	.			trans	-68.1	160.9	174.9	76.3	57.9	0	0	0	110.9	D80 P82 S116 R149 G153 F154 W155	D80-N151 PolarHBondContact OD1-ND2 3.35Å; D80-N151 VanDerWaalsContact OD1-ND2 3.07Å; P82-N151 WeakPolarHBondContact CA-OD1 3.44Å; S116-N151 PolarHBondContact OG-N 3.47Å; S116-N151 VanDerWaalsContact OG-N 3.14Å; R149-N151 PolarHBondContact O-N 3.15Å; N151-G153 PolarHBondContact O-N 2.96Å; N151-G153 WeakPolarHBondContact OD1-CA 3.24Å; N151-G153 PolarHBondContact OD1-N 3.35Å; N151-F154 WeakPolarHBondContact ND2-CD2 3.44Å; N151-F154 WeakPolarHBondContact ND2-CE2 3.48Å; N151-F154 WeakPolarHBondContact ND2-CG 3.26Å; N151-F154 VanDerWaalsContact ND2-CZ 3.29Å; N151-F154 WeakPolarHBondContact ND2-CZ 3.26Å; N151-F154 PolarHBondContact O-N 2.89Å; N151-F154 VanDerWaalsContact O-N 3.12Å; N151-F154 PolarHBondContact OD1-N 2.61Å; N151-W155 PolarHBondContact O-N 3.14Å; N151-W155 VanDerWaalsContact O-N 3.09Å
152	V	98.5	Very high	98.4	Very high	41 Å²	41	39.6 Å²	39.6	25%	0.248	20%	0.199	C	C	.	.	H	α-helix	trans	-63.5	-25.3	-173.2	-62.1	0	0	0	0	114.2	P82 R156 M173 I180 V181	P82-V152 HydrophobicContact CB-CG2 4.45Å; P82-V152 HydrophobicContact CG-CG2 4.4Å; V152-R156 PolarHBondContact O-N 2.86Å; V152-M173 HydrophobicContact CB-CE 4.18Å; V152-I180 WeakPolarHBondContact CG1-O 3.46Å; V152-V181 HydrophobicContact CG1-CG1 4.3Å
153	G	98.8	Very high	98.4	Very high	2 Å²	2	43.1 Å²	43.1	2%	0.021	21%	0.211	C	C	.	.	H	α-helix	trans	-75.9	-36.2	175.7	0	0	0	0	0	112.7	P82 N151 W155 R156 Q157	P82-G153 VanDerWaalsContact O-CA 3.3Å; P82-G153 WeakPolarHBondContact O-CA 3.33Å; N151-G153 PolarHBondContact O-N 2.96Å; N151-G153 WeakPolarHBondContact OD1-CA 3.24Å; N151-G153 PolarHBondContact OD1-N 3.35Å; G153-W155 VanDerWaalsContact C-N 3.34Å; G153-R156 PolarHBondContact O-N 2.89Å; G153-Q157 WeakPolarHBondContact O-CG 3.26Å; G153-Q157 PolarHBondContact O-N 3.15Å; G153-Q157 PolarHBondContact O-NE2 3.49Å
154	F	98.9	Very high	98.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-68.5	-35	172.9	-65.5	-7.4	0	0	0	111.9	D80 M81 A84 I86 S116 R117 T120 P150 N151 Q157 L158	D80-F154 WeakPolarHBondContact OD1-CE2 3.41Å; M81-F154 WeakPolarHBondContact O-CE1 3.31Å; A84-F154 HydrophobicContact CB-CE1 4.09Å; A84-F154 HydrophobicContact CB-CZ 4.4Å; I86-F154 HydrophobicContact CB-CD1 4.01Å; I86-F154 HydrophobicContact CB-CE1 3.81Å; I86-F154 HydrophobicContact CB-CZ 4.25Å; I86-F154 HydrophobicContact CD1-CD2 4.11Å; I86-F154 HydrophobicContact CD1-CE1 4.31Å; I86-F154 HydrophobicContact CD1-CE2 3.86Å; I86-F154 HydrophobicContact CD1-CG 4.47Å; I86-F154 HydrophobicContact CD1-CZ 3.96Å; I86-F154 HydrophobicContact CG2-CB 4.26Å; I86-F154 HydrophobicContact CG2-CD1 3.27Å; I86-F154 HydrophobicContact CG2-CD2 4.45Å; I86-F154 HydrophobicContact CG2-CE1 3.62Å; I86-F154 HydrophobicContact CG2-CG 3.75Å; I86-F154 HydrophobicContact CG2-CZ 4.36Å; S116-F154 WeakPolarHBondContact OG-CD2 3.31Å; S116-F154 WeakPolarHBondContact OG-CE2 3.27Å; R117-F154 HydrophobicContact CB-CE2 4.29Å; R117-F154 HydrophobicContact CG-CE2 3.5Å; R117-F154 VanDerWaalsContact CG-CE2 3.5Å; R117-F154 HydrophobicContact CG-CZ 3.85Å; T120-F154 HydrophobicContact CG2-CB 3.82Å; T120-F154 HydrophobicContact CG2-CD2 4.39Å; T120-F154 HydrophobicContact CG2-CG 4.25Å; T120-F154 WeakPolarHBondContact OG1-CD2 3.48Å; P150-F154 HydrophobicContact CB-CB 4.36Å; N151-F154 WeakPolarHBondContact ND2-CD2 3.44Å; N151-F154 WeakPolarHBondContact ND2-CE2 3.48Å; N151-F154 WeakPolarHBondContact ND2-CG 3.26Å; N151-F154 VanDerWaalsContact ND2-CZ 3.29Å; N151-F154 WeakPolarHBondContact ND2-CZ 3.26Å; N151-F154 PolarHBondContact O-N 2.89Å; N151-F154 VanDerWaalsContact O-N 3.12Å; N151-F154 PolarHBondContact OD1-N 2.61Å; F154-Q157 PolarHBondContact O-N 2.85Å; F154-L158 WeakPolarHBondContact O-CB 3.07Å; F154-L158 WeakPolarHBondContact O-CG 3.14Å; F154-L158 PolarHBondContact O-N 3.14Å
155	W	98.9	Very high	98.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59.7	-44.7	170.6	-85.2	106.8	0	0	0	112.9	L134 Y138 P150 N151 G153 Q157 L158 I159 V171 M173 P182 V184 Y185	L134-W155 HydrophobicContact CD1-CZ3 4.02Å; L134-W155 HydrophobicContact CD2-CE3 4.27Å; L134-W155 HydrophobicContact CD2-CZ3 4.08Å; L134-W155 HydrophobicContact CG-CZ3 3.98Å; Y138-W155 HydrophobicContact CD1-CH2 4.15Å; Y138-W155 AromaticContact CD2-CH2 3.46Å; Y138-W155 HydrophobicContact CD2-CH2 3.46Å; Y138-W155 VanDerWaalsContact CD2-CH2 3.46Å; Y138-W155 AromaticContact CD2-CZ2 3.42Å; Y138-W155 HydrophobicContact CD2-CZ2 3.42Å; Y138-W155 VanDerWaalsContact CD2-CZ2 3.42Å; Y138-W155 HydrophobicContact CE2-CH2 4.04Å; Y138-W155 AromaticContact CE2-CZ2 3.56Å; Y138-W155 HydrophobicContact CE2-CZ2 3.56Å; Y138-W155 AromaticContact CG-CH2 3.52Å; Y138-W155 HydrophobicContact CG-CH2 3.52Å; Y138-W155 AromaticContact CG-CZ2 3.95Å; Y138-W155 HydrophobicContact CG-CZ2 3.95Å; P150-W155 VanDerWaalsContact O-CD1 3.32Å; P150-W155 PolarHBondContact O-NE1 2.81Å; N151-W155 PolarHBondContact O-N 3.14Å; N151-W155 VanDerWaalsContact O-N 3.09Å; G153-W155 VanDerWaalsContact C-N 3.34Å; W155-Q157 VanDerWaalsContact C-N 3.32Å; W155-Q157 PolarHBondContact O-N 3.45Å; W155-L158 PolarHBondContact O-N 2.74Å; W155-I159 VanDerWaalsContact O-CG1 3.25Å; W155-I159 WeakPolarHBondContact O-CG1 3.19Å; W155-I159 PolarHBondContact O-N 3.15Å; W155-V171 HydrophobicContact CE3-CG1 3.97Å; W155-V171 HydrophobicContact CZ3-CB 4.29Å; W155-V171 HydrophobicContact CZ3-CG1 3.8Å; W155-V171 HydrophobicContact CZ3-CG2 4.05Å; W155-M173 HydrophobicContact CB-SD 4Å; W155-P182 HydrophobicContact CB-CB 4.45Å; W155-P182 HydrophobicContact CB-CG 4.48Å; W155-P182 HydrophobicContact CD2-CB 3.83Å; W155-P182 HydrophobicContact CD2-CG 3.77Å; W155-P182 HydrophobicContact CE3-CB 4.09Å; W155-P182 HydrophobicContact CE3-CG 4.49Å; W155-P182 HydrophobicContact CG-CB 4.01Å; W155-P182 HydrophobicContact CG-CG 3.75Å; W155-P182 HydrophobicContact CZ2-CG 4.29Å; W155-V184 HydrophobicContact CH2-CG2 3.75Å; W155-V184 HydrophobicContact CZ2-CG2 3.78Å; W155-Y185 HydrophobicContact CZ2-CE1 4.12Å; W155-Y185 AromaticContact NE1-CE1 3.88Å; W155-Y185 AromaticContact NE1-CE2 3.69Å; W155-Y185 AromaticContact NE1-CZ 3.23Å; W155-Y185 PolarHBondContact NE1-OH 3.3Å
156	R	98.9	Very high	98.6	Very high	101 Å²	101	46 Å²	46	38%	0.381	22%	0.217	S	C	.	.	H	α-helix	trans	-56.9	-48	174.8	-75.6	-175.2	-76.8	-93.4	4.9	111.4	V152 G153 L158 I159 D160 M173	V152-R156 PolarHBondContact O-N 2.86Å; G153-R156 PolarHBondContact O-N 2.89Å; R156-L158 PolarHBondContact O-N 3.35Å; R156-I159 PolarHBondContact O-N 3.32Å; R156-D160 PolarHBondContact O-N 3.34Å; R156-M173 HydrophobicContact CG-CE 4.31Å; R156-M173 HydrophobicContact CG-CG 3.95Å; R156-M173 HydrophobicContact CG-SD 4.14Å
157	Q	98.9	Very high	98.6	Very high	38 Å²	38	46.3 Å²	46.3	18%	0.178	23%	0.232	C	C	.	.	H	α-helix	trans	-63.6	-38.7	178.7	-67.5	174.7	65.2	0	0	112.3	A84 F90 G153 F154 W155 D160 Y161	A84-Q157 PolarHBondContact O-NE2 2.83Å; F90-Q157 HydrophobicContact CE2-CB 4.19Å; F90-Q157 HydrophobicContact CZ-CB 4.17Å; G153-Q157 WeakPolarHBondContact O-CG 3.26Å; G153-Q157 PolarHBondContact O-N 3.15Å; G153-Q157 PolarHBondContact O-NE2 3.49Å; F154-Q157 PolarHBondContact O-N 2.85Å; W155-Q157 VanDerWaalsContact C-N 3.32Å; W155-Q157 PolarHBondContact O-N 3.45Å; Q157-D160 PolarHBondContact O-N 2.64Å; Q157-Y161 WeakPolarHBondContact O-CB 3.45Å; Q157-Y161 PolarHBondContact O-N 2.6Å
158	L	98.9	Very high	98.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.8	-40.4	174.5	-78.4	171	0	0	0	112.6	F90 T120 I123 A124 M127 L134 F154 W155 R156 D160 Y161 E162	F90-L158 HydrophobicContact CE1-CD2 4.34Å; F90-L158 HydrophobicContact CE2-CD2 4.04Å; F90-L158 HydrophobicContact CE2-CG 4.42Å; F90-L158 HydrophobicContact CZ-CD2 3.74Å; F90-L158 HydrophobicContact CZ-CG 3.98Å; T120-L158 HydrophobicContact CG2-CD1 3.76Å; T120-L158 HydrophobicContact CG2-CD2 4.09Å; T120-L158 HydrophobicContact CG2-CG 3.8Å; I123-L158 HydrophobicContact CB-CD1 4.39Å; I123-L158 HydrophobicContact CB-CD2 4.35Å; I123-L158 HydrophobicContact CD1-CD1 4.42Å; I123-L158 HydrophobicContact CG2-CD1 4.03Å; I123-L158 HydrophobicContact CG2-CD2 3.95Å; A124-L158 HydrophobicContact CB-CD2 4.03Å; M127-L158 HydrophobicContact CE-CD2 3.76Å; L134-L158 HydrophobicContact CD1-CB 3.84Å; L134-L158 HydrophobicContact CD1-CD1 4.14Å; L134-L158 HydrophobicContact CD1-CD2 4.43Å; L134-L158 HydrophobicContact CD1-CG 4.37Å; L134-L158 HydrophobicContact CD2-CB 4.09Å; F154-L158 WeakPolarHBondContact O-CB 3.07Å; F154-L158 WeakPolarHBondContact O-CG 3.14Å; F154-L158 PolarHBondContact O-N 3.14Å; W155-L158 PolarHBondContact O-N 2.74Å; R156-L158 PolarHBondContact O-N 3.35Å; L158-D160 VanDerWaalsContact C-N 3.35Å; L158-Y161 PolarHBondContact O-N 2.66Å; L158-E162 WeakPolarHBondContact O-CB 3.25Å; L158-E162 PolarHBondContact O-N 3.43Å
159	I	98.9	Very high	98.6	Very high	6 Å²	6	51.1 Å²	51.1	3%	0.031	25%	0.251	C	S	.	.	H	α-helix	trans	-63.9	-42.5	175.7	-69.2	164.6	0	0	0	110.2	L134 W155 R156 Y161 E162 R163 V171 M173	L134-I159 HydrophobicContact CD2-CB 4.36Å; L134-I159 HydrophobicContact CD2-CG1 3.61Å; W155-I159 VanDerWaalsContact O-CG1 3.25Å; W155-I159 WeakPolarHBondContact O-CG1 3.19Å; W155-I159 PolarHBondContact O-N 3.15Å; R156-I159 PolarHBondContact O-N 3.32Å; I159-Y161 VanDerWaalsContact C-N 3.33Å; I159-E162 PolarHBondContact O-N 3.27Å; I159-R163 WeakPolarHBondContact O-CG 3.39Å; I159-R163 PolarHBondContact O-N 3.17Å; I159-R163 VanDerWaalsContact O-N 3.09Å; I159-V171 HydrophobicContact CD1-CB 4.47Å; I159-V171 HydrophobicContact CD1-CG1 4.16Å; I159-V171 HydrophobicContact CG1-CB 4.28Å; I159-V171 HydrophobicContact CG1-CG1 4.42Å; I159-M173 HydrophobicContact CD1-CG 3.87Å; I159-M173 HydrophobicContact CD1-SD 3.68Å
160	D	98.9	Very high	98.7	Very high	68 Å²	68	46.2 Å²	46.2	36%	0.364	24%	0.238	S	C	.	.	H	α-helix	trans	-59.3	-44.8	173	-74.4	-41.5	0	0	0	111.7	R156 Q157 L158 R163 Q164	R156-D160 PolarHBondContact O-N 3.34Å; Q157-D160 PolarHBondContact O-N 2.64Å; L158-D160 VanDerWaalsContact C-N 3.35Å; D160-R163 WeakPolarHBondContact O-CB 3.47Å; D160-R163 PolarHBondContact O-N 2.8Å; D160-R163 IonicContact OD1-CZ 3.47Å; D160-R163 IonicContact OD1-NE 3.52Å; D160-R163 IonicContact OD1-NH2 2.86Å; D160-R163 PolarHBondContact OD1-NH2 3.04Å; D160-Q164 WeakPolarHBondContact O-CG 3.44Å; D160-Q164 PolarHBondContact O-N 3.41Å
161	Y	98.9	Very high	98.6	Very high	6 Å²	6	46.1 Å²	46.1	2%	0.024	24%	0.238	C	C	.	.	H	α-helix	trans	-66.9	-39.8	179.7	-169.5	-123.8	0	0	0	112.6	F90 D91 A124 M127 K128 Q157 L158 I159 R163 Q164 L165	F90-Y161 HydrophobicContact CB-CD1 4.25Å; F90-Y161 HydrophobicContact CB-CD2 4.3Å; F90-Y161 HydrophobicContact CB-CE1 3.97Å; F90-Y161 HydrophobicContact CB-CE2 4Å; F90-Y161 HydrophobicContact CB-CG 4.42Å; F90-Y161 AromaticContact CD2-CD1 3.65Å; F90-Y161 HydrophobicContact CD2-CD1 3.65Å; F90-Y161 AromaticContact CD2-CD2 3.87Å; F90-Y161 HydrophobicContact CD2-CD2 3.87Å; F90-Y161 HydrophobicContact CD2-CE1 4.24Å; F90-Y161 HydrophobicContact CD2-CE2 4.41Å; F90-Y161 AromaticContact CD2-CG 3.45Å; F90-Y161 HydrophobicContact CD2-CG 3.45Å; F90-Y161 VanDerWaalsContact CD2-CG 3.45Å; F90-Y161 HydrophobicContact CE2-CD1 4.32Å; F90-Y161 HydrophobicContact CE2-CG 4.11Å; F90-Y161 HydrophobicContact CG-CD1 4.24Å; F90-Y161 HydrophobicContact CG-CE1 4.41Å; F90-Y161 HydrophobicContact CG-CG 4.35Å; D91-Y161 PolarHBondContact OD1-OH 2.87Å; A124-Y161 HydrophobicContact CB-CD1 4.12Å; A124-Y161 HydrophobicContact CB-CE1 3.97Å; M127-Y161 HydrophobicContact CE-CD1 3.75Å; M127-Y161 HydrophobicContact CE-CE1 4.5Å; K128-Y161 WeakPolarHBondContact CD-OH 3.36Å; Q157-Y161 WeakPolarHBondContact O-CB 3.45Å; Q157-Y161 PolarHBondContact O-N 2.6Å; L158-Y161 PolarHBondContact O-N 2.66Å; I159-Y161 VanDerWaalsContact C-N 3.33Å; Y161-R163 VanDerWaalsContact C-N 3.31Å; Y161-R163 PolarHBondContact O-N 3.14Å; Y161-Q164 WeakPolarHBondContact O-CB 3.35Å; Y161-Q164 PolarHBondContact O-N 3.27Å; Y161-Q164 VanDerWaalsContact O-N 3.14Å; Y161-L165 HydrophobicContact CD1-CD1 3.9Å; Y161-L165 HydrophobicContact CD1-CG 4.5Å; Y161-L165 HydrophobicContact CE1-CD1 3.55Å; Y161-L165 HydrophobicContact CE1-CG 4.26Å; Y161-L165 HydrophobicContact CE2-CD2 4.45Å; Y161-L165 HydrophobicContact CE2-CG 4.41Å; Y161-L165 WeakPolarHBondContact O-CG 3.47Å; Y161-L165 PolarHBondContact O-N 3.45Å
162	E	98.9	Very high	98.6	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-59.1	-42.7	172.7	-169	-172.5	-158.2	0	0	111.5	M127 C133 L134 L158 I159 Q164 L165 F166 K168 S169 T170	M127-E162 HydrophobicContact SD-CB 3.92Å; M127-E162 HydrophobicContact SD-CG 4.06Å; C133-E162 WeakPolarHBondContact CB-OE1 3.37Å; L134-E162 HydrophobicContact CB-CB 4.16Å; L134-E162 HydrophobicContact CB-CG 3.95Å; L134-E162 WeakPolarHBondContact CB-OE1 3.46Å; L134-E162 WeakPolarHBondContact CB-OE2 3.37Å; L134-E162 PolarHBondContact N-OE1 2.86Å; L158-E162 WeakPolarHBondContact O-CB 3.25Å; L158-E162 PolarHBondContact O-N 3.43Å; I159-E162 PolarHBondContact O-N 3.27Å; E162-Q164 VanDerWaalsContact C-N 3.31Å; E162-Q164 PolarHBondContact O-N 2.64Å; E162-L165 PolarHBondContact O-N 3.47Å; E162-F166 HydrophobicContact CG-CD2 3.73Å; E162-F166 HydrophobicContact CG-CE2 4.31Å; E162-F166 PolarHBondContact O-N 3.09Å; E162-K168 CarbonylContact C-O 3.46Å; E162-S169 WeakPolarHBondContact OE2-CA 3.44Å; E162-T170 WeakPolarHBondContact OE1-CB 3.33Å; E162-T170 WeakPolarHBondContact OE1-CG2 3.29Å; E162-T170 PolarHBondContact OE1-N 2.95Å; E162-T170 PolarHBondContact OE1-OG1 2.95Å; E162-T170 PolarHBondContact OE2-N 3.28Å; E162-T170 PolarHBondContact OE2-OG1 3.4Å
163	R	98.8	Very high	98.6	Very high	117 Å²	117	52.1 Å²	52.1	44%	0.442	26%	0.26	S	S	.	.	H	α-helix	trans	-61.6	-39.2	174.9	-73.4	-172.6	-78	-121.9	8.2	112.3	I159 D160 Y161 G167	I159-R163 WeakPolarHBondContact O-CG 3.39Å; I159-R163 PolarHBondContact O-N 3.17Å; I159-R163 VanDerWaalsContact O-N 3.09Å; D160-R163 WeakPolarHBondContact O-CB 3.47Å; D160-R163 PolarHBondContact O-N 2.8Å; D160-R163 IonicContact OD1-CZ 3.47Å; D160-R163 IonicContact OD1-NE 3.52Å; D160-R163 IonicContact OD1-NH2 2.86Å; D160-R163 PolarHBondContact OD1-NH2 3.04Å; Y161-R163 VanDerWaalsContact C-N 3.31Å; Y161-R163 PolarHBondContact O-N 3.14Å; R163-G167 WeakPolarHBondContact O-CA 3.15Å; R163-G167 PolarHBondContact O-N 2.86Å
164	Q	98.8	Very high	98.6	Very high	145 Å²	145	54.1 Å²	54.1	68%	0.678	27%	0.272	S	S	*	.	H	α-helix	trans	-66	-40.8	176.4	-68.5	168.6	25.5	0	0	111.9	D160 Y161 E162	D160-Q164 WeakPolarHBondContact O-CG 3.44Å; D160-Q164 PolarHBondContact O-N 3.41Å; Y161-Q164 WeakPolarHBondContact O-CB 3.35Å; Y161-Q164 PolarHBondContact O-N 3.27Å; Y161-Q164 VanDerWaalsContact O-N 3.14Å; E162-Q164 VanDerWaalsContact C-N 3.31Å; E162-Q164 PolarHBondContact O-N 2.64Å
165	L	98.6	Very high	98.5	Very high	60 Å²	60	60.7 Å²	60.7	31%	0.314	30%	0.303	S	S	.	.	H	α-helix	trans	-75.2	-38.9	-178.9	-68.1	178.3	0	0	0	113.4	M127 K128 Y161 E162	M127-L165 HydrophobicContact CB-CD1 3.82Å; K128-L165 HydrophobicContact CB-CD1 4.32Å; Y161-L165 HydrophobicContact CD1-CD1 3.9Å; Y161-L165 HydrophobicContact CD1-CG 4.5Å; Y161-L165 HydrophobicContact CE1-CD1 3.55Å; Y161-L165 HydrophobicContact CE1-CG 4.26Å; Y161-L165 HydrophobicContact CE2-CD2 4.45Å; Y161-L165 HydrophobicContact CE2-CG 4.41Å; Y161-L165 WeakPolarHBondContact O-CG 3.47Å; Y161-L165 PolarHBondContact O-N 3.45Å; E162-L165 PolarHBondContact O-N 3.47Å
166	F	98.6	Very high	98.3	Very high	61 Å²	61	61.7 Å²	61.7	27%	0.268	31%	0.309	S	S	.	.	H	α-helix	trans	-126.9	-0.4	-166.5	-52.5	-60.5	0	0	0	114.9	M127 N131 V132 E162 K168	M127-F166 HydrophobicContact CB-CE2 4.09Å; M127-F166 HydrophobicContact CB-CZ 4.4Å; M127-F166 HydrophobicContact CG-CE2 4.45Å; M127-F166 WeakPolarHBondContact O-CZ 3.44Å; N131-F166 WeakPolarHBondContact OD1-CE1 3.06Å; V132-F166 WeakPolarHBondContact O-CE2 3.38Å; E162-F166 HydrophobicContact CG-CD2 3.73Å; E162-F166 HydrophobicContact CG-CE2 4.31Å; E162-F166 PolarHBondContact O-N 3.09Å; F166-K168 HydrophobicContact CB-CG 4.43Å; F166-K168 PolarHBondContact O-N 3.45Å; F166-K168 VanDerWaalsContact O-N 3.15Å
167	G	98.5	Very high	98.1	Very high	71 Å²	71	63 Å²	63	73%	0.732	33%	0.331	S	S	*	.	S	Bend	trans	69.6	5	-178.9	0	0	0	0	0	115	R163	R163-G167 WeakPolarHBondContact O-CA 3.15Å; R163-G167 PolarHBondContact O-N 2.86Å
168	K	97.3	Very high	97.7	Very high	142 Å²	142	71.2 Å²	71.2	62%	0.617	36%	0.361	S	S	*	.	S	Bend	trans	-149.2	164.6	-179	65.9	-173.3	177.9	-175	0	110.7	E162 F166	E162-K168 CarbonylContact C-O 3.46Å; F166-K168 HydrophobicContact CB-CG 4.43Å; F166-K168 PolarHBondContact O-N 3.45Å; F166-K168 VanDerWaalsContact O-N 3.15Å
169	S	97.9	Very high	97.5	Very high	38 Å²	38	72.4 Å²	72.4	27%	0.266	37%	0.374	S	S	.	.			trans	-123.7	138.2	174.2	62.6	0	0	0	0	112.4	E162	E162-S169 WeakPolarHBondContact OE2-CA 3.44Å
170	T	98.7	Very high	97.5	Very high	46 Å²	46	76.1 Å²	76.1	28%	0.282	39%	0.393	S	S	.	.	S	Bend	trans	-98.5	-12	178.5	57.7	0	0	0	0	113.8	C133 L134 L135 E162	C133-T170 HydrophobicContact CB-CG2 3.62Å; L134-T170 PolarHBondContact N-OG1 2.94Å; L135-T170 PolarHBondContact N-OG1 3.43Å; E162-T170 WeakPolarHBondContact OE1-CB 3.33Å; E162-T170 WeakPolarHBondContact OE1-CG2 3.29Å; E162-T170 PolarHBondContact OE1-N 2.95Å; E162-T170 PolarHBondContact OE1-OG1 2.95Å; E162-T170 PolarHBondContact OE2-N 3.28Å; E162-T170 PolarHBondContact OE2-OG1 3.4Å
171	V	98.6	Very high	97.4	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	38%	0.383	C	S	.	.			trans	-118.8	143.9	174.5	177.8	0	0	0	0	109.3	L134 L135 W155 I159 P182 D183 V184	L134-V171 HydrophobicContact CB-CG2 4.4Å; L134-V171 HydrophobicContact CD2-CB 3.91Å; L134-V171 HydrophobicContact CD2-CG2 4.07Å; L134-V171 HydrophobicContact CG-CB 4.32Å; L134-V171 HydrophobicContact CG-CG2 3.91Å; L135-V171 HydrophobicContact CB-CG2 4.1Å; L135-V171 HydrophobicContact CD1-CG2 4.44Å; W155-V171 HydrophobicContact CE3-CG1 3.97Å; W155-V171 HydrophobicContact CZ3-CB 4.29Å; W155-V171 HydrophobicContact CZ3-CG1 3.8Å; W155-V171 HydrophobicContact CZ3-CG2 4.05Å; I159-V171 HydrophobicContact CD1-CB 4.47Å; I159-V171 HydrophobicContact CD1-CG1 4.16Å; I159-V171 HydrophobicContact CG1-CB 4.28Å; I159-V171 HydrophobicContact CG1-CG1 4.42Å; V171-P182 HydrophobicContact CG1-CB 3.72Å; V171-D183 WeakPolarHBondContact CG1-OD1 3.37Å; V171-V184 HydrophobicContact CG2-CG1 4.29Å
172	K	98.1	Very high	97.4	Very high	139 Å²	139	73.9 Å²	73.9	60%	0.604	38%	0.382	S	S	*	.			trans	-125	146.5	178.3	-65.8	-178.8	-177	177.6	0	110.7	P182 D183	K172-P182 CarbonylContact O-C 3.57Å; K172-P182 WeakPolarHBondContact O-CA 3.36Å; K172-D183 PolarHBondContact N-OD1 3.12Å; K172-D183 VanDerWaalsContact N-OD1 3.17Å; K172-D183 PolarHBondContact O-N 2.93Å
173	M	98.4	Very high	97.3	Very high	53 Å²	53	75 Å²	75	26%	0.261	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	130.5	167.6	-57.4	-56.2	-63.5	0	0	109.1	V152 W155 R156 I159 I180 V181 P182	V152-M173 HydrophobicContact CB-CE 4.18Å; W155-M173 HydrophobicContact CB-SD 4Å; R156-M173 HydrophobicContact CG-CE 4.31Å; R156-M173 HydrophobicContact CG-CG 3.95Å; R156-M173 HydrophobicContact CG-SD 4.14Å; I159-M173 HydrophobicContact CD1-CG 3.87Å; I159-M173 HydrophobicContact CD1-SD 3.68Å; M173-I180 HydrophobicContact CB-CG2 3.86Å; M173-I180 HydrophobicContact CE-CG2 3.86Å; M173-V181 CarbonylContact C-O 3.57Å; M173-V181 WeakPolarHBondContact CA-O 3.43Å; M173-P182 HydrophobicContact SD-CB 4.25Å
174	V	98	Very high	97.3	Very high	45 Å²	45	69.9 Å²	69.9	27%	0.273	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	146.3	-178.6	-62.7	0	0	0	0	110.7	T176 I180 V181 D183 E186	V174-T176 HydrophobicContact CG2-CG2 4.49Å; V174-I180 WeakPolarHBondContact O-CA 3.39Å; V174-V181 HydrophobicContact CG2-CG2 4.25Å; V174-V181 PolarHBondContact N-O 3.09Å; V174-V181 PolarHBondContact O-N 2.86Å; V174-D183 HydrophobicContact CG1-CB 3.95Å; V174-D183 HydrophobicContact CG2-CB 4.22Å; V174-E186 HydrophobicContact CG2-CB 4Å; V174-E186 HydrophobicContact CG2-CG 4.22Å
175	Q	97.3	Very high	97.2	Very high	138 Å²	138	63.8 Å²	63.8	65%	0.645	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	130.9	174.5	-177	65.6	49.2	0	0	109.8
176	T	95.3	Very high	97	Very high	21 Å²	21	63 Å²	63	13%	0.129	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	169	170.7	73.1	0	0	0	0	109.9	V174 Y178 G179 V181 E186	V174-T176 HydrophobicContact CG2-CG2 4.49Å; T176-Y178 PolarHBondContact O-N 3.24Å; T176-Y178 VanDerWaalsContact O-N 3.1Å; T176-Y178 PolarHBondContact OG1-N 3.43Å; T176-G179 PolarHBondContact N-O 3.31Å; T176-G179 PolarHBondContact O-N 3.25Å; T176-G179 VanDerWaalsContact O-N 3.11Å; T176-G179 PolarHBondContact OG1-N 3.44Å; T176-G179 PolarHBondContact OG1-O 2.9Å; T176-V181 HydrophobicContact CG2-CG2 3.57Å; T176-E186 HydrophobicContact CG2-CB 4.31Å; T176-E186 HydrophobicContact CG2-CG 3.81Å
177	P	94.1	Very high	96.6	Very high	128 Å²	128	65 Å²	65	83%	0.831	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-22.1	171.7	-26.8	36.5	0	0	0	114
178	Y	91.2	Very high	96.2	Very high	211 Å²	211	64.4 Å²	64.4	83%	0.827	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	8.1	-178.1	-48.7	-68.8	0	0	0	113.3	T176	T176-Y178 PolarHBondContact O-N 3.24Å; T176-Y178 VanDerWaalsContact O-N 3.1Å; T176-Y178 PolarHBondContact OG1-N 3.43Å
179	G	94.4	Very high	95.5	Very high	25 Å²	25	60.1 Å²	60.1	26%	0.258	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	114.4	-176.3	179.4	0	0	0	0	0	114.3	T176	T176-G179 PolarHBondContact N-O 3.31Å; T176-G179 PolarHBondContact O-N 3.25Å; T176-G179 VanDerWaalsContact O-N 3.11Å; T176-G179 PolarHBondContact OG1-N 3.44Å; T176-G179 PolarHBondContact OG1-O 2.9Å
180	I	97.6	Very high	94.7	Very high	83 Å²	83	65.8 Å²	65.8	43%	0.426	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	121.3	-178.3	-60.5	172.5	0	0	0	110	V152 M173 V174	V152-I180 WeakPolarHBondContact CG1-O 3.46Å; M173-I180 HydrophobicContact CB-CG2 3.86Å; M173-I180 HydrophobicContact CE-CG2 3.86Å; V174-I180 WeakPolarHBondContact O-CA 3.39Å
181	V	98.1	Very high	93.1	Very high	27 Å²	27	71.5 Å²	71.5	16%	0.164	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	160.6	-178.8	-62.3	0	0	0	0	110.3	V152 M173 V174 T176 Y185 E186	V152-V181 HydrophobicContact CG1-CG1 4.3Å; M173-V181 CarbonylContact C-O 3.57Å; M173-V181 WeakPolarHBondContact CA-O 3.43Å; V174-V181 HydrophobicContact CG2-CG2 4.25Å; V174-V181 PolarHBondContact N-O 3.09Å; V174-V181 PolarHBondContact O-N 2.86Å; T176-V181 HydrophobicContact CG2-CG2 3.57Å; V181-Y185 HydrophobicContact CB-CD2 4.41Å; V181-E186 HydrophobicContact CG2-CB 4.31Å
182	P	98.2	Very high	91.5	Very high	0 Å²	0	78.3 Å²	78.3	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	145.9	167.2	33.4	-41.2	0	0	0	110.1	W155 V171 K172 M173 V184 Y185	W155-P182 HydrophobicContact CB-CB 4.45Å; W155-P182 HydrophobicContact CB-CG 4.48Å; W155-P182 HydrophobicContact CD2-CB 3.83Å; W155-P182 HydrophobicContact CD2-CG 3.77Å; W155-P182 HydrophobicContact CE3-CB 4.09Å; W155-P182 HydrophobicContact CE3-CG 4.49Å; W155-P182 HydrophobicContact CG-CB 4.01Å; W155-P182 HydrophobicContact CG-CG 3.75Å; W155-P182 HydrophobicContact CZ2-CG 4.29Å; V171-P182 HydrophobicContact CG1-CB 3.72Å; K172-P182 CarbonylContact O-C 3.57Å; K172-P182 WeakPolarHBondContact O-CA 3.36Å; M173-P182 HydrophobicContact SD-CB 4.25Å; P182-V184 HydrophobicContact CB-CG2 3.97Å; P182-V184 HydrophobicContact CG-CG2 3.97Å; P182-V184 PolarHBondContact O-N 3.01Å; P182-V184 VanDerWaalsContact O-N 3.11Å; P182-Y185 HydrophobicContact CG-CD1 4.1Å; P182-Y185 HydrophobicContact CG-CD2 3.61Å; P182-Y185 HydrophobicContact CG-CE1 4.35Å; P182-Y185 HydrophobicContact CG-CE2 3.91Å; P182-Y185 HydrophobicContact CG-CG 3.71Å; P182-Y185 PolarHBondContact O-N 3.19Å
183	D	97.8	Very high	89.5	Confident	24 Å²	24	77.7 Å²	77.7	13%	0.128	39%	0.385	C	S	.	.	H	α-helix	trans	-58.1	-25.7	-178.7	69.4	-38.9	0	0	0	113.3	V171 K172 V174 Y185 E186 K187	V171-D183 WeakPolarHBondContact CG1-OD1 3.37Å; K172-D183 PolarHBondContact N-OD1 3.12Å; K172-D183 VanDerWaalsContact N-OD1 3.17Å; K172-D183 PolarHBondContact O-N 2.93Å; V174-D183 HydrophobicContact CG1-CB 3.95Å; V174-D183 HydrophobicContact CG2-CB 4.22Å; D183-Y185 VanDerWaalsContact C-N 3.33Å; D183-Y185 PolarHBondContact O-N 3.1Å; D183-E186 PolarHBondContact O-N 3.23Å; D183-K187 VanDerWaalsContact O-CG 3.3Å; D183-K187 WeakPolarHBondContact O-CG 3.45Å; D183-K187 PolarHBondContact O-N 3.07Å; D183-K187 IonicContact OD2-NZ 2.68Å; D183-K187 PolarHBondContact OD2-NZ 2.98Å
184	V	97.3	Very high	87.2	Confident	11 Å²	11	79.5 Å²	79.5	7%	0.067	40%	0.401	C	S	.	.	H	α-helix	trans	-60.9	-37.8	171.7	-62.2	0	0	0	0	113.1	L135 Y138 W155 V171 P182 K187 E188	L135-V184 HydrophobicContact CD1-CG1 3.51Å; Y138-V184 HydrophobicContact CD1-CG2 4.46Å; Y138-V184 HydrophobicContact CE1-CB 4.4Å; Y138-V184 HydrophobicContact CE1-CG2 4.2Å; W155-V184 HydrophobicContact CH2-CG2 3.75Å; W155-V184 HydrophobicContact CZ2-CG2 3.78Å; V171-V184 HydrophobicContact CG2-CG1 4.29Å; P182-V184 HydrophobicContact CB-CG2 3.97Å; P182-V184 HydrophobicContact CG-CG2 3.97Å; P182-V184 PolarHBondContact O-N 3.01Å; P182-V184 VanDerWaalsContact O-N 3.11Å; V184-K187 PolarHBondContact O-N 2.88Å; V184-E188 WeakPolarHBondContact O-CG 3.5Å; V184-E188 PolarHBondContact O-N 3.22Å
185	Y	96.4	Very high	84.7	Confident	16 Å²	16	88.6 Å²	88.6	6%	0.063	43%	0.432	C	S	.	.	H	α-helix	trans	-73.7	-31.6	178	-70.9	-4.2	0	0	0	112.2	Y138 R149 P150 W155 V181 P182 D183 S189	Y138-Y185 HydrophobicContact CE2-CE1 4.41Å; R149-Y185 WeakPolarHBondContact CA-OH 3.33Å; R149-Y185 HydrophobicContact CG-CE1 4.25Å; R149-Y185 HydrophobicContact CG-CE2 3.94Å; R149-Y185 VanDerWaalsContact CG-OH 3.31Å; R149-Y185 WeakPolarHBondContact CG-OH 3.46Å; P150-Y185 VanDerWaalsContact CD-OH 3.29Å; P150-Y185 WeakPolarHBondContact CD-OH 3.3Å; P150-Y185 VanDerWaalsContact N-OH 3.1Å; P150-Y185 PolarHBondContact O-OH 3.01Å; W155-Y185 HydrophobicContact CZ2-CE1 4.12Å; W155-Y185 AromaticContact NE1-CE1 3.88Å; W155-Y185 AromaticContact NE1-CE2 3.69Å; W155-Y185 AromaticContact NE1-CZ 3.23Å; W155-Y185 PolarHBondContact NE1-OH 3.3Å; V181-Y185 HydrophobicContact CB-CD2 4.41Å; P182-Y185 HydrophobicContact CG-CD1 4.1Å; P182-Y185 HydrophobicContact CG-CD2 3.61Å; P182-Y185 HydrophobicContact CG-CE1 4.35Å; P182-Y185 HydrophobicContact CG-CE2 3.91Å; P182-Y185 HydrophobicContact CG-CG 3.71Å; P182-Y185 PolarHBondContact O-N 3.19Å; D183-Y185 VanDerWaalsContact C-N 3.33Å; D183-Y185 PolarHBondContact O-N 3.1Å; Y185-S189 PolarHBondContact O-N 3Å; Y185-S189 VanDerWaalsContact O-N 3.11Å
186	E	94.2	Very high	82.3	Confident	45 Å²	45	92.6 Å²	92.6	21%	0.21	44%	0.442	C	S	.	.	H	α-helix	trans	-69.5	-38.5	176	-168.2	-93.8	171.6	0	0	111.2	V174 T176 V181 D183 S189 R190	V174-E186 HydrophobicContact CG2-CB 4Å; V174-E186 HydrophobicContact CG2-CG 4.22Å; T176-E186 HydrophobicContact CG2-CB 4.31Å; T176-E186 HydrophobicContact CG2-CG 3.81Å; V181-E186 HydrophobicContact CG2-CB 4.31Å; D183-E186 PolarHBondContact O-N 3.23Å; E186-S189 PolarHBondContact O-N 2.8Å; E186-S189 PolarHBondContact O-OG 3.21Å; E186-R190 WeakPolarHBondContact O-CG 3.34Å; E186-R190 PolarHBondContact O-N 3.18Å; E186-R190 IonicContact OE1-CZ 2.89Å; E186-R190 IonicContact OE1-NE 2.64Å; E186-R190 PolarHBondContact OE1-NE 3.34Å; E186-R190 IonicContact OE1-NH2 3.11Å; E186-R190 PolarHBondContact OE1-NH2 3.39Å; E186-R190 IonicContact OE2-CZ 2.86Å; E186-R190 IonicContact OE2-NE 3.66Å; E186-R190 PolarHBondContact OE2-NE 3.27Å; E186-R190 IonicContact OE2-NH2 3.74Å
187	K	91.8	Very high	80.1	Confident	101 Å²	101	95 Å²	95	44%	0.439	47%	0.471	S	S	.	.	H	α-helix	trans	-65.9	-43	171.9	-68.7	164.6	-173	165.1	0	112.2	D183 V184 S189 R190 H191	D183-K187 VanDerWaalsContact O-CG 3.3Å; D183-K187 WeakPolarHBondContact O-CG 3.45Å; D183-K187 PolarHBondContact O-N 3.07Å; D183-K187 IonicContact OD2-NZ 2.68Å; D183-K187 PolarHBondContact OD2-NZ 2.98Å; V184-K187 PolarHBondContact O-N 2.88Å; K187-S189 VanDerWaalsContact C-N 3.33Å; K187-S189 PolarHBondContact O-N 3.01Å; K187-R190 PolarHBondContact O-N 3.31Å; K187-H191 PolarHBondContact O-CD2 3.1Å
188	E	89.9	Confident	77.5	Confident	59 Å²	59	100.4 Å²	100.4	28%	0.276	49%	0.49	S	S	.	.	H	α-helix	trans	-60.6	-39.5	177	-76.6	179.1	-178.7	0	0	112.5	Y138 V184 H191	Y138-E188 PolarHBondContact OH-OE1 2.61Å; Y138-E188 VanDerWaalsContact OH-OE1 3.13Å; V184-E188 WeakPolarHBondContact O-CG 3.5Å; V184-E188 PolarHBondContact O-N 3.22Å; E188-H191 PolarHBondContact O-N 3.11Å
189	S	83.1	Confident	76.8	Confident	53 Å²	53	94.9 Å²	94.9	37%	0.371	47%	0.473	S	S	.	.	H	α-helix	trans	-71.6	-32.3	-178.7	65.8	0	0	0	0	113.4	Y185 E186 K187 H191 L192 M193	Y185-S189 PolarHBondContact O-N 3Å; Y185-S189 VanDerWaalsContact O-N 3.11Å; E186-S189 PolarHBondContact O-N 2.8Å; E186-S189 PolarHBondContact O-OG 3.21Å; K187-S189 VanDerWaalsContact C-N 3.33Å; K187-S189 PolarHBondContact O-N 3.01Å; S189-H191 PolarHBondContact O-N 3.24Å; S189-L192 PolarHBondContact O-N 2.72Å; S189-M193 PolarHBondContact O-N 3.41Å
190	R	79.5	Confident	75.9	Confident	156 Å²	156	98.6 Å²	98.6	59%	0.589	49%	0.485	S	S	*	.	H	α-helix	trans	-61.4	-31.8	174.9	-71	173.7	-179.1	-151.1	2.9	112.7	E186 K187 L192	E186-R190 WeakPolarHBondContact O-CG 3.34Å; E186-R190 PolarHBondContact O-N 3.18Å; E186-R190 IonicContact OE1-CZ 2.89Å; E186-R190 IonicContact OE1-NE 2.64Å; E186-R190 PolarHBondContact OE1-NE 3.34Å; E186-R190 IonicContact OE1-NH2 3.11Å; E186-R190 PolarHBondContact OE1-NH2 3.39Å; E186-R190 IonicContact OE2-CZ 2.86Å; E186-R190 IonicContact OE2-NE 3.66Å; E186-R190 PolarHBondContact OE2-NE 3.27Å; E186-R190 IonicContact OE2-NH2 3.74Å; K187-R190 PolarHBondContact O-N 3.31Å; R190-L192 VanDerWaalsContact C-N 3.31Å
191	H	66	Low	74.7	Confident	167 Å²	167	99.4 Å²	99.4	77%	0.773	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-13.8	176.3	-63.8	-52.7	0	0	0	113.7	K187 E188 S189	K187-H191 PolarHBondContact O-CD2 3.1Å; E188-H191 PolarHBondContact O-N 3.11Å; S189-H191 PolarHBondContact O-N 3.24Å
192	L	64	Low	73.3	Confident	143 Å²	143	103.7 Å²	103.7	75%	0.749	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-11.2	178.3	-68.2	170	0	0	0	113	S189 R190 P194	S189-L192 PolarHBondContact O-N 2.72Å; R190-L192 VanDerWaalsContact C-N 3.31Å; L192-P194 VanDerWaalsContact O-CD 3.23Å; L192-P194 WeakPolarHBondContact O-CD 3.41Å
193	M	56.1	Low	71.8	Confident	125 Å²	125	110.2 Å²	110.2	62%	0.616	54%	0.539	S	S	*	.	S	Bend	trans	-83.5	112.8	171.3	-69.6	-146.2	-103	0	0	109.3	S189 Y195	S189-M193 PolarHBondContact O-N 3.41Å; M193-Y195 PolarHBondContact O-N 2.95Å
194	P	50.3	Low	70	Confident	92 Å²	92	115.9 Å²	115.9	60%	0.597	57%	0.566	S	S	*	*			trans	-58.8	134.1	169.1	20.3	-26.9	0	0	0	108.6	L192 W196	L192-P194 VanDerWaalsContact O-CD 3.23Å; L192-P194 WeakPolarHBondContact O-CD 3.41Å; P194-W196 PolarHBondContact O-N 2.92Å
195	Y	47.1	Very low	68.1	Low	235 Å²	235	123.4 Å²	123.4	92%	0.922	60%	0.602	S	S	*	*			trans	-60.6	76.7	168.3	-80.2	-94	0	0	0	109.4	M193 G197	M193-Y195 PolarHBondContact O-N 2.95Å; Y195-G197 VanDerWaalsContact C-N 3.34Å; Y195-G197 PolarHBondContact O-N 3.1Å
196	W	45.6	Very low	65.9	Low	223 Å²	223	131.7 Å²	131.7	85%	0.845	64%	0.643	S	S	*	*			trans	-87.6	90.7	155.5	-63.2	99.7	0	0	0	105.1	P194 I198	P194-W196 PolarHBondContact O-N 2.92Å; W196-I198 PolarHBondContact O-N 2.97Å
197	G	49.5	Very low	63.5	Low	71 Å²	71	138.9 Å²	138.9	73%	0.732	68%	0.679	S	S	*	*			trans	-55.9	132	170.7	0	0	0	0	0	109.8	Y195	Y195-G197 VanDerWaalsContact C-N 3.34Å; Y195-G197 PolarHBondContact O-N 3.1Å
198	I	39.7	Very low	61	Low	242 Å²	242	142.4 Å²	142.4	100%	1.241	70%	0.701	S	S	*	*			trans	-137.8	0	149.1	-52.2	179.8	0	0	0	105.5	W196	W196-I198 PolarHBondContact O-N 2.97Å

Retrieved 198 of 198 residues in 1823.1 ms (Link to these results)

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