A0A077ZJI7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZJI7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 115 aa.

						>A0A077ZJI7_TRITR|A0A077ZJI7
MVRQTTSYRGMETTQQDKSVDVKLIPEYDGSARQSITEWLEKVELVCQLRGIDNVATVIPLRLTGGAFVVYMQLPVEDRKDAEKVKRALTAALAVDSFVAYEQFVSRKLKTDEPP
					

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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	44.9	Very low	50.8	Low	241 Å²	241	165.5 Å²	165.5	100%	1.187	84%	0.836	S	S	*	*				0	88.2	0	-156.4	169.9	-166.5	0	0	107.4
2	V	45.1	Very low	50.9	Low	144 Å²	144	162.8 Å²	162.8	87%	0.873	82%	0.818	S	S	*	*			trans	-90	111.5	-174.5	178.8	0	0	0	0	107.7	Q4	V2-Q4 PolarHBondContact O-N 3.49Å
3	R	39.9	Very low	51.1	Low	229 Å²	229	158.7 Å²	158.7	86%	0.864	81%	0.806	S	S	*	*			trans	-73	114.7	177.7	-72.3	-177.4	173.5	-177.6	-2.4	108.5	T5	R3-T5 PolarHBondContact O-N 3.23Å
4	Q	47.5	Very low	51.4	Low	178 Å²	178	156.6 Å²	156.6	83%	0.832	81%	0.805	S	S	*	*			trans	-72.8	108.5	167.4	-70.2	178	-20.6	0	0	108	V2 T6	V2-Q4 PolarHBondContact O-N 3.49Å; Q4-T6 PolarHBondContact O-N 3.27Å
5	T	48.6	Very low	51.5	Low	139 Å²	139	157.3 Å²	157.3	85%	0.853	80%	0.804	S	S	*	*			trans	-77.9	92.9	169.4	13.5	0	0	0	0	108.4	R3 S7	R3-T5 PolarHBondContact O-N 3.23Å; T5-S7 PolarHBondContact O-N 3.11Å
6	T	49.7	Very low	51.9	Low	131 Å²	131	158.3 Å²	158.3	80%	0.804	80%	0.804	S	S	*	*			trans	-78.1	99.6	165.7	44.2	0	0	0	0	108.3	Q4 Y8	Q4-T6 PolarHBondContact O-N 3.27Å; T6-Y8 PolarHBondContact O-N 3.32Å
7	S	58	Low	52.4	Low	108 Å²	108	157.5 Å²	157.5	76%	0.755	80%	0.802	S	S	*	*			trans	-78	117.8	172.7	-178.8	0	0	0	0	109.5	T5 R9	T5-S7 PolarHBondContact O-N 3.11Å; S7-R9 PolarHBondContact O-N 3.06Å
8	Y	54.3	Low	53.1	Low	233 Å²	233	156.6 Å²	156.6	91%	0.914	79%	0.792	S	S	*	*			trans	-81.8	51	174	-153.6	-91.1	0	0	0	110.1	T6 G10	T6-Y8 PolarHBondContact O-N 3.32Å; Y8-G10 VanDerWaalsContact C-N 3.3Å; Y8-G10 PolarHBondContact O-N 3.25Å; Y8-G10 VanDerWaalsContact O-N 3.11Å
9	R	64.6	Low	54.1	Low	185 Å²	185	153 Å²	153	70%	0.698	78%	0.783	S	S	*	*			trans	-80.1	92.9	165.6	-167.4	170.2	-171.3	162.9	1.4	105.9	S7 M11 E12	S7-R9 PolarHBondContact O-N 3.06Å; R9-M11 PolarHBondContact O-N 2.94Å; R9-E12 IonicContact CZ-OE1 3.68Å; R9-E12 IonicContact NE-OE1 2.64Å; R9-E12 PolarHBondContact NE-OE1 2.78Å; R9-E12 VanDerWaalsContact NE-OE1 3.17Å; R9-E12 IonicContact NH2-OE1 2.67Å; R9-E12 PolarHBondContact NH2-OE1 2.76Å
10	G	50.8	Low	55	Low	49 Å²	49	146.7 Å²	146.7	51%	0.505	75%	0.752	S	S	.	*			trans	-46.1	135.8	171.9	0	0	0	0	0	108.7	Y8 E12	Y8-G10 VanDerWaalsContact C-N 3.3Å; Y8-G10 PolarHBondContact O-N 3.25Å; Y8-G10 VanDerWaalsContact O-N 3.11Å; G10-E12 VanDerWaalsContact C-N 3.31Å; G10-E12 PolarHBondContact O-N 3.37Å
11	M	55.1	Low	56.3	Low	184 Å²	184	143.8 Å²	143.8	91%	0.906	74%	0.738	S	S	*	*			trans	-52.7	103	171.8	-74.2	172.4	175.3	0	0	106.7	R9 T13	R9-M11 PolarHBondContact O-N 2.94Å; M11-T13 PolarHBondContact O-N 3.17Å
12	E	52.1	Low	58	Low	133 Å²	133	134.3 Å²	134.3	62%	0.621	69%	0.693	S	S	*	*			trans	-62	88.2	161.9	-69.1	166.5	-144.1	0	0	103.2	R9 G10 T14	R9-E12 IonicContact CZ-OE1 3.68Å; R9-E12 IonicContact NE-OE1 2.64Å; R9-E12 PolarHBondContact NE-OE1 2.78Å; R9-E12 VanDerWaalsContact NE-OE1 3.17Å; R9-E12 IonicContact NH2-OE1 2.67Å; R9-E12 PolarHBondContact NH2-OE1 2.76Å; G10-E12 VanDerWaalsContact C-N 3.31Å; G10-E12 PolarHBondContact O-N 3.37Å; E12-T14 PolarHBondContact O-N 2.67Å
13	T	53.3	Low	60	Low	109 Å²	109	135.8 Å²	135.8	67%	0.669	69%	0.688	S	S	*	*			trans	-58.9	101.5	164.7	48.2	0	0	0	0	103.1	M11 Q15	M11-T13 PolarHBondContact O-N 3.17Å; T13-Q15 PolarHBondContact O-N 2.8Å
14	T	55.6	Low	62.4	Low	129 Å²	129	128.2 Å²	128.2	79%	0.791	66%	0.664	S	S	*	*			trans	-60.7	79.4	162.6	36.2	0	0	0	0	105.1	E12 Q16	E12-T14 PolarHBondContact O-N 2.67Å; T14-Q16 PolarHBondContact O-N 2.79Å
15	Q	53.8	Low	64.5	Low	168 Å²	168	119.8 Å²	119.8	79%	0.785	63%	0.625	S	S	*	*			trans	-56.7	93.1	150.2	-81.8	-178.4	-51.8	0	0	102.5	T13 D17	T13-Q15 PolarHBondContact O-N 2.8Å; Q15-D17 PolarHBondContact O-N 2.84Å
16	Q	57.8	Low	66.5	Low	173 Å²	173	115 Å²	115	81%	0.808	60%	0.596	S	S	*	*			trans	-51.1	106.3	158.7	-99.1	177.3	-43.6	0	0	103.8	T14 K18	T14-Q16 PolarHBondContact O-N 2.79Å; Q16-K18 VanDerWaalsContact C-N 3.26Å; Q16-K18 PolarHBondContact O-N 2.76Å
17	D	59.9	Low	68.7	Low	145 Å²	145	114 Å²	114	78%	0.775	58%	0.582	S	S	*	*			trans	-53	102.7	169.8	-93.5	-35.5	0	0	0	105.4	Q15 S19	Q15-D17 PolarHBondContact O-N 2.84Å; D17-S19 PolarHBondContact O-N 3.36Å; D17-S19 PolarHBondContact O-OG 2.71Å
18	K	65.1	Low	70.6	Confident	140 Å²	140	108.9 Å²	108.9	61%	0.609	55%	0.547	S	S	*	.			trans	-70.6	73.2	-178.7	-69.7	-176.6	171.6	-164.9	0	107.3	Q16 G51	Q16-K18 VanDerWaalsContact C-N 3.26Å; Q16-K18 PolarHBondContact O-N 2.76Å; K18-G51 WeakPolarHBondContact CD-O 3.44Å; K18-G51 WeakPolarHBondContact CE-O 3.47Å; K18-G51 PolarHBondContact NZ-O 3.18Å
19	S	71.6	Confident	72.5	Confident	89 Å²	89	101.4 Å²	101.4	62%	0.622	52%	0.522	S	S	*	.			trans	-97	137.4	175.4	54.9	0	0	0	0	108.1	D17	D17-S19 PolarHBondContact O-N 3.36Å; D17-S19 PolarHBondContact O-OG 2.71Å
20	V	71.7	Confident	73.7	Confident	26 Å²	26	93.7 Å²	93.7	16%	0.158	50%	0.5	C	S	.	.			trans	-106	120.8	171.1	164.8	0	0	0	0	108.2	V22 V46 R50 I52	V20-V22 VanDerWaalsContact C-N 3.25Å; V20-V22 WeakPolarHBondContact O-CG2 3.41Å; V20-V22 PolarHBondContact O-N 2.93Å; V20-V46 HydrophobicContact CG1-CG1 4.25Å; V20-R50 HydrophobicContact CG2-CB 3.42Å; V20-R50 VanDerWaalsContact CG2-CB 3.42Å; V20-R50 HydrophobicContact CG2-CG 3.76Å; V20-I52 HydrophobicContact CB-CD1 3.76Å; V20-I52 HydrophobicContact CG2-CD1 3.1Å; V20-I52 HydrophobicContact CG2-CG1 3.61Å
21	D	83.5	Confident	75.4	Confident	87 Å²	87	93 Å²	93	47%	0.465	49%	0.488	S	S	.	.			trans	-68.3	93.8	161.9	-176.7	6.9	0	0	0	107.9	K23 L24	D21-K23 PolarHBondContact O-N 3.18Å; D21-K23 VanDerWaalsContact OD1-CB 3.26Å; D21-K23 WeakPolarHBondContact OD1-CB 3.43Å; D21-K23 WeakPolarHBondContact OD1-CG 3.37Å; D21-K23 PolarHBondContact OD1-N 3.29Å; D21-L24 HydrophobicContact CB-CD1 4.18Å; D21-L24 HydrophobicContact CB-CG 4.23Å; D21-L24 WeakPolarHBondContact O-CB 3.43Å; D21-L24 WeakPolarHBondContact O-CG 3.26Å; D21-L24 PolarHBondContact O-N 2.82Å
22	V	81	Confident	76.5	Confident	42 Å²	42	88.2 Å²	88.2	26%	0.255	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	-63	-14	-175.9	-142.1	0	0	0	0	111.7	V20 L24 I25 L61 R62	V20-V22 VanDerWaalsContact C-N 3.25Å; V20-V22 WeakPolarHBondContact O-CG2 3.41Å; V20-V22 PolarHBondContact O-N 2.93Å; V22-L24 PolarHBondContact O-N 3Å; V22-I25 PolarHBondContact O-N 2.88Å; V22-I25 VanDerWaalsContact O-N 3.13Å; V22-I25 VanDerWaalsContact O-O 3.07Å; V22-L61 HydrophobicContact CG1-CB 3.98Å; V22-L61 HydrophobicContact CG1-CD1 4.2Å; V22-L61 HydrophobicContact CG2-CD1 4.39Å; V22-R62 HydrophobicContact CB-CG 4.45Å; V22-R62 HydrophobicContact CG1-CG 3.38Å; V22-R62 WeakPolarHBondContact O-CD 3.41Å; V22-R62 PolarHBondContact O-NE 2.89Å; V22-R62 VanDerWaalsContact O-NE 3.12Å
23	K	87.2	Confident	77.8	Confident	174 Å²	174	93.4 Å²	93.4	76%	0.757	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-68	-18.4	173.7	-60.9	-179	177.4	179.3	0	113.3	D21 I25	D21-K23 PolarHBondContact O-N 3.18Å; D21-K23 VanDerWaalsContact OD1-CB 3.26Å; D21-K23 WeakPolarHBondContact OD1-CB 3.43Å; D21-K23 WeakPolarHBondContact OD1-CG 3.37Å; D21-K23 PolarHBondContact OD1-N 3.29Å; K23-I25 PolarHBondContact O-N 2.95Å
24	L	88.6	Confident	79.3	Confident	71 Å²	71	91 Å²	91	37%	0.372	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-65.6	-23.8	172.1	-63.6	172.1	0	0	0	112	D21 V22 K42 V46	D21-L24 HydrophobicContact CB-CD1 4.18Å; D21-L24 HydrophobicContact CB-CG 4.23Å; D21-L24 WeakPolarHBondContact O-CB 3.43Å; D21-L24 WeakPolarHBondContact O-CG 3.26Å; D21-L24 PolarHBondContact O-N 2.82Å; V22-L24 PolarHBondContact O-N 3Å; L24-K42 WeakPolarHBondContact O-CE 3.4Å; L24-V46 HydrophobicContact CB-CG1 4.3Å; L24-V46 HydrophobicContact CB-CG2 4.38Å
25	I	91.5	Very high	81	Confident	0 Å²	0	87.1 Å²	87.1	0%	0	45%	0.451	C	S	.	.	S	Bend	trans	-96.4	120.3	175.8	-61.2	167.3	0	0	0	107.6	V22 K23 W39 V43 V46 V58 R62	V22-I25 PolarHBondContact O-N 2.88Å; V22-I25 VanDerWaalsContact O-N 3.13Å; V22-I25 VanDerWaalsContact O-O 3.07Å; K23-I25 PolarHBondContact O-N 2.95Å; I25-W39 HydrophobicContact CG2-CZ2 3.93Å; I25-V43 HydrophobicContact CD1-CB 4.49Å; I25-V43 HydrophobicContact CD1-CG1 4.25Å; I25-V43 HydrophobicContact CD1-CG2 4.27Å; I25-V43 HydrophobicContact CG1-CG2 4.47Å; I25-V43 HydrophobicContact CG2-CG2 3.6Å; I25-V46 HydrophobicContact CD1-CB 4.26Å; I25-V46 HydrophobicContact CD1-CG1 4.07Å; I25-V46 HydrophobicContact CG1-CB 4.05Å; I25-V46 HydrophobicContact CG1-CG1 4Å; I25-V46 HydrophobicContact CG1-CG2 4.1Å; I25-V58 HydrophobicContact CD1-CG1 3.41Å; I25-V58 VanDerWaalsContact CD1-CG1 3.41Å; I25-R62 HydrophobicContact CB-CG 3.96Å; I25-R62 HydrophobicContact CG2-CB 3.81Å; I25-R62 HydrophobicContact CG2-CG 3.76Å; I25-R62 PolarHBondContact O-NE 2.99Å; I25-R62 PolarHBondContact O-NH2 3.2Å
26	P	92.1	Very high	82.9	Confident	39 Å²	39	79.2 Å²	79.2	25%	0.253	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-64.8	155	175.1	27.8	-32.5	0	0	0	110.6	W39 K42	P26-W39 PolarHBondContact O-NE1 3.43Å; P26-K42 HydrophobicContact CG-CD 4.34Å
27	E	95.7	Very high	84.6	Confident	109 Å²	109	74 Å²	74	51%	0.509	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-67.9	145.2	171.3	-64.4	-177.8	-176.4	0	0	110.2	R62 T64	E27-R62 CarbonylContact C-O 3.48Å; E27-R62 VanDerWaalsContact CA-O 3.29Å; E27-R62 WeakPolarHBondContact CA-O 3.41Å; E27-R62 IonicContact OE1-CZ 3.76Å; E27-R62 IonicContact OE1-NH1 3.17Å; E27-R62 PolarHBondContact OE1-NH1 2.69Å; E27-R62 IonicContact OE1-NH2 3.64Å; E27-T64 HydrophobicContact CB-CG2 4.19Å; E27-T64 HydrophobicContact CG-CG2 4.27Å
28	Y	96.6	Very high	86.1	Confident	2 Å²	2	73.1 Å²	73.1	1%	0.008	39%	0.385	C	S	.	.	B	Isolated β-bridge	trans	-124.9	114.4	174.7	-169.8	-107.4	0	0	0	110.5	Q34 I36 W39 R62 L63 T64 A67 L93	Y28-Q34 HydrophobicContact CD2-CB 4.27Å; Y28-Q34 HydrophobicContact CD2-CG 4.17Å; Y28-Q34 HydrophobicContact CE2-CB 3.97Å; Y28-Q34 HydrophobicContact CE2-CG 4.09Å; Y28-Q34 WeakPolarHBondContact CE2-O 3.37Å; Y28-Q34 PolarHBondContact OH-O 3.43Å; Y28-I36 HydrophobicContact CD1-CD1 3.83Å; Y28-I36 HydrophobicContact CE1-CB 4.02Å; Y28-I36 HydrophobicContact CE1-CD1 3.47Å; Y28-I36 VanDerWaalsContact CE1-CD1 3.47Å; Y28-I36 HydrophobicContact CE1-CG1 4.21Å; Y28-I36 WeakPolarHBondContact OH-CB 3.42Å; Y28-I36 PolarHBondContact OH-N 3.21Å; Y28-W39 VanDerWaalsContact CB-CE2 3.43Å; Y28-W39 HydrophobicContact CD2-CB 4.13Å; Y28-W39 HydrophobicContact CD2-CD2 4.44Å; Y28-W39 AromaticContact CD2-CG 3.95Å; Y28-W39 HydrophobicContact CD2-CG 3.95Å; Y28-W39 HydrophobicContact CG-CD2 4.02Å; Y28-W39 HydrophobicContact CG-CE3 4.45Å; Y28-W39 HydrophobicContact CG-CG 4.01Å; Y28-R62 PolarHBondContact N-O 2.86Å; Y28-L63 HydrophobicContact CD1-CD2 4.14Å; Y28-L63 WeakPolarHBondContact O-CA 3.47Å; Y28-T64 PolarHBondContact O-N 2.92Å; Y28-A67 HydrophobicContact CD1-CB 3.73Å; Y28-A67 HydrophobicContact CE1-CB 4.14Å; Y28-L93 HydrophobicContact CD1-CD1 4.48Å; Y28-L93 HydrophobicContact CE1-CD1 3.73Å
29	D	95	Very high	87.6	Confident	75 Å²	75	66.5 Å²	66.5	40%	0.401	36%	0.357	S	S	.	.			trans	-94.5	-10	-177.6	65.8	-14.7	0	0	0	113.4	S31 T64 G66 A67	D29-S31 WeakPolarHBondContact OD1-CB 3.36Å; D29-S31 PolarHBondContact OD1-N 2.92Å; D29-S31 PolarHBondContact OD1-OG 3.13Å; D29-T64 WeakPolarHBondContact CA-O 3.36Å; D29-T64 WeakPolarHBondContact CA-OG1 3.24Å; D29-T64 WeakPolarHBondContact CB-OG1 3.38Å; D29-G66 PolarHBondContact O-N 3.03Å; D29-G66 VanDerWaalsContact O-N 3.07Å; D29-A67 PolarHBondContact O-N 3.44Å; D29-A67 VanDerWaalsContact O-N 3.14Å
30	G	90.8	Very high	88.8	Confident	23 Å²	23	62.9 Å²	62.9	24%	0.237	33%	0.33	C	S	.	.	S	Bend	trans	90.9	10.9	-172.7	0	0	0	0	0	114.1
31	S	86.1	Confident	89.9	Confident	36 Å²	36	67.1 Å²	67.1	25%	0.252	35%	0.348	S	S	.	.			trans	-74.4	144.9	176.8	66.6	0	0	0	0	112.3	D29 R33 Q34	D29-S31 WeakPolarHBondContact OD1-CB 3.36Å; D29-S31 PolarHBondContact OD1-N 2.92Å; D29-S31 PolarHBondContact OD1-OG 3.13Å; S31-R33 PolarHBondContact O-N 2.97Å; S31-Q34 PolarHBondContact O-N 3.11Å
32	A	77.5	Confident	90.4	Very high	82 Å²	82	67.6 Å²	67.6	68%	0.678	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-4.3	177.6	0	0	0	0	0	114.5	Q34	A32-Q34 PolarHBondContact O-N 3.24Å
33	R	79.6	Confident	91.1	Very high	242 Å²	242	65.6 Å²	65.6	91%	0.913	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-23.7	177	-62.7	-177.2	-176.8	-154.5	1.6	112.3	S31	S31-R33 PolarHBondContact O-N 2.97Å
34	Q	85	Confident	91.5	Very high	58 Å²	58	60.7 Å²	60.7	27%	0.271	31%	0.314	S	S	.	.	S	Bend	trans	-128.7	131.6	177.8	-177.6	169.4	33.4	0	0	109.1	Y28 S31 A32 I36 W39	Y28-Q34 HydrophobicContact CD2-CB 4.27Å; Y28-Q34 HydrophobicContact CD2-CG 4.17Å; Y28-Q34 HydrophobicContact CE2-CB 3.97Å; Y28-Q34 HydrophobicContact CE2-CG 4.09Å; Y28-Q34 WeakPolarHBondContact CE2-O 3.37Å; Y28-Q34 PolarHBondContact OH-O 3.43Å; S31-Q34 PolarHBondContact O-N 3.11Å; A32-Q34 PolarHBondContact O-N 3.24Å; Q34-I36 PolarHBondContact O-N 3.12Å; Q34-W39 HydrophobicContact CG-CB 4.37Å
35	S	90.1	Very high	91.8	Very high	48 Å²	48	61.6 Å²	61.6	34%	0.336	32%	0.319	S	S	.	.			trans	-67.9	128.8	174.1	172.9	0	0	0	0	109.9	T37 E38 W39	S35-T37 PolarHBondContact O-N 2.83Å; S35-T37 PolarHBondContact OG-N 3.13Å; S35-E38 PolarHBondContact O-N 3.01Å; S35-E38 PolarHBondContact OG-N 3.03Å; S35-W39 WeakPolarHBondContact O-CB 3.36Å; S35-W39 PolarHBondContact O-N 2.78Å
36	I	94	Very high	91.9	Very high	3 Å²	3	62.3 Å²	62.3	2%	0.015	32%	0.323	C	S	.	.	H	α-helix	trans	-58.5	-36.8	172.5	178.3	59.2	0	0	0	110.9	Y28 Q34 W39 L40 L89 L93 A94	Y28-I36 HydrophobicContact CD1-CD1 3.83Å; Y28-I36 HydrophobicContact CE1-CB 4.02Å; Y28-I36 HydrophobicContact CE1-CD1 3.47Å; Y28-I36 VanDerWaalsContact CE1-CD1 3.47Å; Y28-I36 HydrophobicContact CE1-CG1 4.21Å; Y28-I36 WeakPolarHBondContact OH-CB 3.42Å; Y28-I36 PolarHBondContact OH-N 3.21Å; Q34-I36 PolarHBondContact O-N 3.12Å; I36-W39 HydrophobicContact CD1-CE3 4.02Å; I36-W39 PolarHBondContact O-N 3.03Å; I36-L40 HydrophobicContact CD1-CD1 4.06Å; I36-L40 HydrophobicContact CD1-CD2 4.43Å; I36-L40 HydrophobicContact CD1-CG 3.89Å; I36-L40 HydrophobicContact CG1-CD1 3.92Å; I36-L40 HydrophobicContact CG1-CG 4.22Å; I36-L40 WeakPolarHBondContact O-CB 3.39Å; I36-L40 VanDerWaalsContact O-CG 3.28Å; I36-L40 WeakPolarHBondContact O-CG 3.33Å; I36-L40 PolarHBondContact O-N 2.84Å; I36-L89 HydrophobicContact CD1-CB 3.99Å; I36-L89 HydrophobicContact CD1-CD1 4.46Å; I36-L89 HydrophobicContact CG1-CB 4.15Å; I36-L93 HydrophobicContact CB-CB 4.47Å; I36-A94 HydrophobicContact CG2-CB 4.2Å
37	T	93.3	Very high	91.9	Very high	64 Å²	64	60.5 Å²	60.5	39%	0.393	31%	0.311	S	S	.	.	H	α-helix	trans	-63.9	-51.4	-179.8	-50.6	0	0	0	0	111	S35 W39 L40 E41	S35-T37 PolarHBondContact O-N 2.83Å; S35-T37 PolarHBondContact OG-N 3.13Å; T37-W39 VanDerWaalsContact C-N 3.27Å; T37-W39 PolarHBondContact O-N 3.34Å; T37-L40 PolarHBondContact O-N 2.7Å; T37-E41 WeakPolarHBondContact O-CG 3.34Å; T37-E41 PolarHBondContact O-N 3.33Å
38	E	92.8	Very high	91.8	Very high	126 Å²	126	62.5 Å²	62.5	59%	0.589	32%	0.321	S	S	*	.	H	α-helix	trans	-62.4	-37.3	177.8	-66	177.3	176.4	0	0	111.6	S35 K42	S35-E38 PolarHBondContact O-N 3.01Å; S35-E38 PolarHBondContact OG-N 3.03Å; E38-K42 WeakPolarHBondContact O-CB 3.04Å; E38-K42 PolarHBondContact O-N 3.23Å; E38-K42 VanDerWaalsContact O-N 3.08Å
39	W	95.7	Very high	91.5	Very high	1 Å²	1	68.4 Å²	68.4	0%	0.004	35%	0.352	C	S	.	.	H	α-helix	trans	-64.2	-45.4	176.2	-176.1	88	0	0	0	111.8	I25 P26 Y28 Q34 S35 I36 T37 K42 V43 I59 R62 L63	I25-W39 HydrophobicContact CG2-CZ2 3.93Å; P26-W39 PolarHBondContact O-NE1 3.43Å; Y28-W39 VanDerWaalsContact CB-CE2 3.43Å; Y28-W39 HydrophobicContact CD2-CB 4.13Å; Y28-W39 HydrophobicContact CD2-CD2 4.44Å; Y28-W39 AromaticContact CD2-CG 3.95Å; Y28-W39 HydrophobicContact CD2-CG 3.95Å; Y28-W39 HydrophobicContact CG-CD2 4.02Å; Y28-W39 HydrophobicContact CG-CE3 4.45Å; Y28-W39 HydrophobicContact CG-CG 4.01Å; Q34-W39 HydrophobicContact CG-CB 4.37Å; S35-W39 WeakPolarHBondContact O-CB 3.36Å; S35-W39 PolarHBondContact O-N 2.78Å; I36-W39 HydrophobicContact CD1-CE3 4.02Å; I36-W39 PolarHBondContact O-N 3.03Å; T37-W39 VanDerWaalsContact C-N 3.27Å; T37-W39 PolarHBondContact O-N 3.34Å; W39-K42 WeakPolarHBondContact O-CB 3.12Å; W39-K42 PolarHBondContact O-N 3.16Å; W39-V43 HydrophobicContact CD2-CG2 3.98Å; W39-V43 HydrophobicContact CE3-CG2 3.95Å; W39-V43 HydrophobicContact CH2-CG2 3.76Å; W39-V43 HydrophobicContact CZ2-CG2 3.78Å; W39-V43 HydrophobicContact CZ3-CG2 3.84Å; W39-V43 WeakPolarHBondContact O-CG2 3.46Å; W39-V43 PolarHBondContact O-N 2.95Å; W39-I59 HydrophobicContact CH2-CG2 4.17Å; W39-I59 HydrophobicContact CZ3-CG2 4.12Å; W39-R62 HydrophobicContact CZ2-CB 3.83Å; W39-L63 HydrophobicContact CH2-CD2 3.48Å; W39-L63 VanDerWaalsContact CH2-CD2 3.48Å; W39-L63 HydrophobicContact CH2-CG 4.16Å; W39-L63 HydrophobicContact CZ2-CD2 4.16Å; W39-L63 HydrophobicContact CZ3-CD2 3.74Å
40	L	96.8	Very high	91.3	Very high	12 Å²	12	70.7 Å²	70.7	6%	0.063	36%	0.355	C	S	.	.	H	α-helix	trans	-63.5	-43.6	177	-74.5	174.3	0	0	0	112.2	I36 T37 K42 V43 E44 I59 K86 L89	I36-L40 HydrophobicContact CD1-CD1 4.06Å; I36-L40 HydrophobicContact CD1-CD2 4.43Å; I36-L40 HydrophobicContact CD1-CG 3.89Å; I36-L40 HydrophobicContact CG1-CD1 3.92Å; I36-L40 HydrophobicContact CG1-CG 4.22Å; I36-L40 WeakPolarHBondContact O-CB 3.39Å; I36-L40 VanDerWaalsContact O-CG 3.28Å; I36-L40 WeakPolarHBondContact O-CG 3.33Å; I36-L40 PolarHBondContact O-N 2.84Å; T37-L40 PolarHBondContact O-N 2.7Å; L40-K42 VanDerWaalsContact C-N 3.25Å; L40-K42 PolarHBondContact O-N 2.87Å; L40-V43 WeakPolarHBondContact O-CB 3.42Å; L40-V43 PolarHBondContact O-N 3.16Å; L40-V43 VanDerWaalsContact O-N 3.11Å; L40-E44 WeakPolarHBondContact O-CG 3.48Å; L40-E44 PolarHBondContact O-N 3.01Å; L40-I59 HydrophobicContact CD2-CD1 4.13Å; L40-I59 HydrophobicContact CD2-CG1 4.36Å; L40-K86 HydrophobicContact CD1-CB 4.1Å; L40-K86 HydrophobicContact CD1-CD 4.48Å; L40-K86 HydrophobicContact CD1-CG 3.94Å; L40-K86 HydrophobicContact CD2-CG 3.94Å; L40-K86 HydrophobicContact CG-CG 4.48Å; L40-L89 HydrophobicContact CD2-CD1 4.49Å
41	E	95.4	Very high	91.3	Very high	115 Å²	115	70.9 Å²	70.9	54%	0.537	36%	0.357	S	S	.	.	H	α-helix	trans	-57.5	-41	174.7	-73.9	174.1	-176.4	0	0	111.4	T37 E44 L45	T37-E41 WeakPolarHBondContact O-CG 3.34Å; T37-E41 PolarHBondContact O-N 3.33Å; E41-E44 PolarHBondContact O-N 3.16Å; E41-L45 WeakPolarHBondContact O-CB 3.46Å; E41-L45 PolarHBondContact O-N 3.38Å
42	K	94.1	Very high	91.4	Very high	97 Å²	97	70.8 Å²	70.8	42%	0.422	35%	0.353	S	S	.	.	H	α-helix	trans	-66.1	-40.4	176	-172.5	171.5	-178.7	174.4	0	112.2	L24 P26 E38 W39 L40 L45 V46	L24-K42 WeakPolarHBondContact O-CE 3.4Å; P26-K42 HydrophobicContact CG-CD 4.34Å; E38-K42 WeakPolarHBondContact O-CB 3.04Å; E38-K42 PolarHBondContact O-N 3.23Å; E38-K42 VanDerWaalsContact O-N 3.08Å; W39-K42 WeakPolarHBondContact O-CB 3.12Å; W39-K42 PolarHBondContact O-N 3.16Å; L40-K42 VanDerWaalsContact C-N 3.25Å; L40-K42 PolarHBondContact O-N 2.87Å; K42-L45 PolarHBondContact O-N 2.92Å; K42-V46 VanDerWaalsContact O-CG2 3.29Å; K42-V46 WeakPolarHBondContact O-CG2 3.45Å; K42-V46 PolarHBondContact O-N 3.14Å
43	V	95.4	Very high	92	Very high	1 Å²	1	73.8 Å²	73.8	1%	0.006	36%	0.357	C	S	.	.	H	α-helix	trans	-59.9	-48.1	174.9	172.8	0	0	0	0	110.4	I25 W39 L40 V46 C47 V55 V58 I59	I25-V43 HydrophobicContact CD1-CB 4.49Å; I25-V43 HydrophobicContact CD1-CG1 4.25Å; I25-V43 HydrophobicContact CD1-CG2 4.27Å; I25-V43 HydrophobicContact CG1-CG2 4.47Å; I25-V43 HydrophobicContact CG2-CG2 3.6Å; W39-V43 HydrophobicContact CD2-CG2 3.98Å; W39-V43 HydrophobicContact CE3-CG2 3.95Å; W39-V43 HydrophobicContact CH2-CG2 3.76Å; W39-V43 HydrophobicContact CZ2-CG2 3.78Å; W39-V43 HydrophobicContact CZ3-CG2 3.84Å; W39-V43 WeakPolarHBondContact O-CG2 3.46Å; W39-V43 PolarHBondContact O-N 2.95Å; L40-V43 WeakPolarHBondContact O-CB 3.42Å; L40-V43 PolarHBondContact O-N 3.16Å; L40-V43 VanDerWaalsContact O-N 3.11Å; V43-V46 PolarHBondContact O-N 3.07Å; V43-C47 PolarHBondContact O-N 3.28Å; V43-C47 PolarHBondContact O-SG 3.32Å; V43-V55 HydrophobicContact CG1-CG1 3.94Å; V43-V58 HydrophobicContact CG1-CG1 4.17Å; V43-I59 HydrophobicContact CG1-CG1 4.01Å
44	E	95	Very high	92.6	Very high	70 Å²	70	66.1 Å²	66.1	33%	0.327	34%	0.335	S	S	.	.	H	α-helix	trans	-61.7	-46.2	179.3	-72	-178.7	164.6	0	0	111.9	L40 E41 V46 C47 Q48 V55 K86	L40-E44 WeakPolarHBondContact O-CG 3.48Å; L40-E44 PolarHBondContact O-N 3.01Å; E41-E44 PolarHBondContact O-N 3.16Å; E44-V46 VanDerWaalsContact C-N 3.34Å; E44-V46 PolarHBondContact O-N 3.35Å; E44-C47 PolarHBondContact O-N 3.17Å; E44-Q48 WeakPolarHBondContact O-CB 3.29Å; E44-Q48 PolarHBondContact O-N 3.17Å; E44-V55 HydrophobicContact CG-CG1 4.3Å; E44-K86 VanDerWaalsContact OE1-CD 3.24Å; E44-K86 WeakPolarHBondContact OE1-CD 3.24Å; E44-K86 WeakPolarHBondContact OE1-CE 3.26Å; E44-K86 IonicContact OE1-NZ 2.78Å; E44-K86 PolarHBondContact OE1-NZ 3.35Å
45	L	94.6	Very high	93	Very high	91 Å²	91	64.5 Å²	64.5	48%	0.476	33%	0.329	S	S	.	.	H	α-helix	trans	-59.8	-44.7	177.2	179.5	61.9	0	0	0	111.6	E41 K42 C47 Q48 L49	E41-L45 WeakPolarHBondContact O-CB 3.46Å; E41-L45 PolarHBondContact O-N 3.38Å; K42-L45 PolarHBondContact O-N 2.92Å; L45-C47 VanDerWaalsContact C-N 3.35Å; L45-C47 PolarHBondContact O-N 3.38Å; L45-Q48 PolarHBondContact O-N 3.31Å; L45-L49 HydrophobicContact CD1-CD1 4.13Å; L45-L49 HydrophobicContact CD1-CG 4.2Å; L45-L49 HydrophobicContact CG-CD1 4.03Å; L45-L49 HydrophobicContact CG-CG 4.5Å; L45-L49 WeakPolarHBondContact O-CB 3.5Å; L45-L49 VanDerWaalsContact O-CG 3.26Å; L45-L49 WeakPolarHBondContact O-CG 3.41Å; L45-L49 PolarHBondContact O-N 3.16Å
46	V	93.6	Very high	93.3	Very high	15 Å²	15	62.3 Å²	62.3	9%	0.091	31%	0.313	C	S	.	.	H	α-helix	trans	-63.6	-41.9	177	172	0	0	0	0	110.9	V20 L24 I25 K42 V43 E44 L49 R50	V20-V46 HydrophobicContact CG1-CG1 4.25Å; L24-V46 HydrophobicContact CB-CG1 4.3Å; L24-V46 HydrophobicContact CB-CG2 4.38Å; I25-V46 HydrophobicContact CD1-CB 4.26Å; I25-V46 HydrophobicContact CD1-CG1 4.07Å; I25-V46 HydrophobicContact CG1-CB 4.05Å; I25-V46 HydrophobicContact CG1-CG1 4Å; I25-V46 HydrophobicContact CG1-CG2 4.1Å; K42-V46 VanDerWaalsContact O-CG2 3.29Å; K42-V46 WeakPolarHBondContact O-CG2 3.45Å; K42-V46 PolarHBondContact O-N 3.14Å; V43-V46 PolarHBondContact O-N 3.07Å; E44-V46 VanDerWaalsContact C-N 3.34Å; E44-V46 PolarHBondContact O-N 3.35Å; V46-L49 PolarHBondContact O-N 3.3Å; V46-R50 HydrophobicContact CG1-CG 4.41Å; V46-R50 WeakPolarHBondContact O-CB 3.29Å; V46-R50 WeakPolarHBondContact O-CG 3.26Å; V46-R50 PolarHBondContact O-N 3.47Å
47	C	93.2	Very high	93.2	Very high	1 Å²	1	65.8 Å²	65.8	1%	0.007	34%	0.335	C	S	.	.	H	α-helix	trans	-61.6	-45.1	176.5	-66.9	0	0	0	0	111.4	V43 E44 L45 R50 G51 I52 V55	V43-C47 PolarHBondContact O-N 3.28Å; V43-C47 PolarHBondContact O-SG 3.32Å; E44-C47 PolarHBondContact O-N 3.17Å; L45-C47 VanDerWaalsContact C-N 3.35Å; L45-C47 PolarHBondContact O-N 3.38Å; C47-R50 CarbonylContact O-C 3.6Å; C47-R50 PolarHBondContact O-N 3.08Å; C47-R50 VanDerWaalsContact O-N 3.15Å; C47-G51 PolarHBondContact O-N 3.38Å; C47-I52 HydrophobicContact CB-CB 4.1Å; C47-I52 HydrophobicContact CB-CG2 4.41Å; C47-I52 PolarHBondContact O-N 3.14Å; C47-V55 HydrophobicContact CB-CG2 4.04Å
48	Q	92.8	Very high	93.3	Very high	151 Å²	151	63 Å²	63	71%	0.706	32%	0.317	S	S	*	.	H	α-helix	trans	-60.3	-48.3	177.4	-175.6	-176.4	-0.1	0	0	111.7	E44 L45 R50 G51	E44-Q48 WeakPolarHBondContact O-CB 3.29Å; E44-Q48 PolarHBondContact O-N 3.17Å; L45-Q48 PolarHBondContact O-N 3.31Å; Q48-R50 PolarHBondContact O-N 3.46Å; Q48-R50 VanDerWaalsContact O-N 3.13Å; Q48-G51 PolarHBondContact O-N 3.35Å
49	L	91.8	Very high	93.5	Very high	126 Å²	126	57 Å²	57	66%	0.66	29%	0.289	S	S	*	.	H	α-helix	trans	-64.6	-16.5	178.9	-70.5	173.7	0	0	0	113.4	L45 V46	L45-L49 HydrophobicContact CD1-CD1 4.13Å; L45-L49 HydrophobicContact CD1-CG 4.2Å; L45-L49 HydrophobicContact CG-CD1 4.03Å; L45-L49 HydrophobicContact CG-CG 4.5Å; L45-L49 WeakPolarHBondContact O-CB 3.5Å; L45-L49 VanDerWaalsContact O-CG 3.26Å; L45-L49 WeakPolarHBondContact O-CG 3.41Å; L45-L49 PolarHBondContact O-N 3.16Å; V46-L49 PolarHBondContact O-N 3.3Å
50	R	90.3	Very high	93.5	Very high	123 Å²	123	57.9 Å²	57.9	46%	0.464	30%	0.296	S	S	.	.	H	α-helix	trans	-111.2	1	-178.3	-60.7	-71.3	-175	-154.7	1.4	113	V20 V46 C47 Q48 I52	V20-R50 HydrophobicContact CG2-CB 3.42Å; V20-R50 VanDerWaalsContact CG2-CB 3.42Å; V20-R50 HydrophobicContact CG2-CG 3.76Å; V46-R50 HydrophobicContact CG1-CG 4.41Å; V46-R50 WeakPolarHBondContact O-CB 3.29Å; V46-R50 WeakPolarHBondContact O-CG 3.26Å; V46-R50 PolarHBondContact O-N 3.47Å; C47-R50 CarbonylContact O-C 3.6Å; C47-R50 PolarHBondContact O-N 3.08Å; C47-R50 VanDerWaalsContact O-N 3.15Å; Q48-R50 PolarHBondContact O-N 3.46Å; Q48-R50 VanDerWaalsContact O-N 3.13Å; R50-I52 VanDerWaalsContact C-N 3.28Å; R50-I52 PolarHBondContact O-N 3.34Å
51	G	90	Very high	93.4	Very high	27 Å²	27	62.6 Å²	62.6	28%	0.278	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	29.9	179.8	0	0	0	0	0	113.9	K18 C47 Q48	K18-G51 WeakPolarHBondContact CD-O 3.44Å; K18-G51 WeakPolarHBondContact CE-O 3.47Å; K18-G51 PolarHBondContact NZ-O 3.18Å; C47-G51 PolarHBondContact O-N 3.38Å; Q48-G51 PolarHBondContact O-N 3.35Å
52	I	89.5	Confident	93.5	Very high	34 Å²	34	59.1 Å²	59.1	17%	0.174	30%	0.302	C	S	.	.			trans	-86.4	118.6	169	-66.3	-161.6	0	0	0	108.7	V20 C47 R50 V58	V20-I52 HydrophobicContact CB-CD1 3.76Å; V20-I52 HydrophobicContact CG2-CD1 3.1Å; V20-I52 HydrophobicContact CG2-CG1 3.61Å; C47-I52 HydrophobicContact CB-CB 4.1Å; C47-I52 HydrophobicContact CB-CG2 4.41Å; C47-I52 PolarHBondContact O-N 3.14Å; R50-I52 VanDerWaalsContact C-N 3.28Å; R50-I52 PolarHBondContact O-N 3.34Å; I52-V58 HydrophobicContact CD1-CG2 3.87Å; I52-V58 HydrophobicContact CG2-CG2 3.97Å
53	D	89.6	Confident	93.6	Very high	145 Å²	145	54.9 Å²	54.9	78%	0.775	28%	0.284	S	S	*	.			trans	-85.4	-30.6	177.5	-52.6	-49.5	0	0	0	111.9	V55	D53-V55 PolarHBondContact O-N 3.15Å
54	N	91.6	Very high	93.7	Very high	81 Å²	81	57 Å²	57	43%	0.433	30%	0.297	S	S	.	.			trans	-94.2	84.2	-176.9	-168.3	-10.1	0	0	0	111.9	A56 T57	N54-A56 PolarHBondContact O-N 3.13Å; N54-A56 WeakPolarHBondContact OD1-CB 3.49Å; N54-A56 PolarHBondContact OD1-N 2.94Å; N54-T57 HydrophobicContact CB-CG2 4.42Å; N54-T57 WeakPolarHBondContact ND2-CG2 3.48Å; N54-T57 PolarHBondContact O-N 3.44Å; N54-T57 PolarHBondContact O-OG1 2.86Å
55	V	94.2	Very high	93.7	Very high	24 Å²	24	56.1 Å²	56.1	15%	0.145	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-64.8	-27.5	179.3	-175.5	0	0	0	0	112.2	V43 E44 C47 D53 T57 V58 I59 A82	V43-V55 HydrophobicContact CG1-CG1 3.94Å; E44-V55 HydrophobicContact CG-CG1 4.3Å; C47-V55 HydrophobicContact CB-CG2 4.04Å; D53-V55 PolarHBondContact O-N 3.15Å; V55-T57 PolarHBondContact O-N 2.94Å; V55-T57 VanDerWaalsContact O-N 3.17Å; V55-V58 PolarHBondContact O-N 3.36Å; V55-I59 HydrophobicContact CG1-CD1 4.05Å; V55-I59 HydrophobicContact CG1-CG1 4.1Å; V55-I59 PolarHBondContact O-N 3.18Å; V55-A82 HydrophobicContact CB-CB 4.21Å
56	A	95.4	Very high	93.6	Very high	2 Å²	2	53.8 Å²	53.8	2%	0.017	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-62	-25.9	-179	0	0	0	0	0	113	N54 P60 A82	N54-A56 PolarHBondContact O-N 3.13Å; N54-A56 WeakPolarHBondContact OD1-CB 3.49Å; N54-A56 PolarHBondContact OD1-N 2.94Å; A56-P60 WeakPolarHBondContact O-CD 3.49Å; A56-A82 HydrophobicContact CB-CB 4.03Å
57	T	93	Very high	93.8	Very high	75 Å²	75	53 Å²	53	46%	0.46	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-81.6	-21.7	176.6	61.7	0	0	0	0	112.8	N54 V55 L61	N54-T57 HydrophobicContact CB-CG2 4.42Å; N54-T57 WeakPolarHBondContact ND2-CG2 3.48Å; N54-T57 PolarHBondContact O-N 3.44Å; N54-T57 PolarHBondContact O-OG1 2.86Å; V55-T57 PolarHBondContact O-N 2.94Å; V55-T57 VanDerWaalsContact O-N 3.17Å; T57-L61 WeakPolarHBondContact O-CG 3.14Å
58	V	94.4	Very high	94	Very high	5 Å²	5	56.8 Å²	56.8	3%	0.03	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-42.2	-176.6	-178.8	0	0	0	0	111.4	I25 V43 I52 V55 L61	I25-V58 HydrophobicContact CD1-CG1 3.41Å; I25-V58 VanDerWaalsContact CD1-CG1 3.41Å; V43-V58 HydrophobicContact CG1-CG1 4.17Å; I52-V58 HydrophobicContact CD1-CG2 3.87Å; I52-V58 HydrophobicContact CG2-CG2 3.97Å; V55-V58 PolarHBondContact O-N 3.36Å; V58-L61 WeakPolarHBondContact O-CB 3.38Å; V58-L61 PolarHBondContact O-N 3.21Å; V58-L61 VanDerWaalsContact O-N 3.13Å
59	I	96.7	Very high	94.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-46	-59.3	179.3	-69.2	168.7	0	0	0	112	W39 L40 V43 V55 L61 R62 L63 V85 K86 L89	W39-I59 HydrophobicContact CH2-CG2 4.17Å; W39-I59 HydrophobicContact CZ3-CG2 4.12Å; L40-I59 HydrophobicContact CD2-CD1 4.13Å; L40-I59 HydrophobicContact CD2-CG1 4.36Å; V43-I59 HydrophobicContact CG1-CG1 4.01Å; V55-I59 HydrophobicContact CG1-CD1 4.05Å; V55-I59 HydrophobicContact CG1-CG1 4.1Å; V55-I59 PolarHBondContact O-N 3.18Å; I59-L61 PolarHBondContact O-N 3.39Å; I59-L61 VanDerWaalsContact O-N 3.11Å; I59-R62 PolarHBondContact O-N 3.19Å; I59-L63 HydrophobicContact CG2-CD1 3.82Å; I59-L63 HydrophobicContact CG2-CD2 4.39Å; I59-L63 HydrophobicContact CG2-CG 4.05Å; I59-L63 WeakPolarHBondContact O-CG 3.36Å; I59-L63 PolarHBondContact O-N 3.5Å; I59-V85 HydrophobicContact CB-CG1 4.47Å; I59-V85 HydrophobicContact CD1-CG1 4.03Å; I59-V85 HydrophobicContact CG2-CG1 3.85Å; I59-K86 HydrophobicContact CD1-CG 4.13Å; I59-L89 HydrophobicContact CG2-CD1 3.77Å
60	P	96.3	Very high	94.5	Very high	21 Å²	21	48.3 Å²	48.3	14%	0.136	28%	0.28	C	S	.	.	H	α-helix	trans	-65.3	-20.3	-173.6	27.1	-36.7	0	0	0	114.1	A56 R62 Y71	A56-P60 WeakPolarHBondContact O-CD 3.49Å; P60-R62 PolarHBondContact O-N 3.45Å; P60-Y71 HydrophobicContact CB-CD1 3.98Å; P60-Y71 HydrophobicContact CB-CD2 4.29Å; P60-Y71 HydrophobicContact CB-CE1 3.63Å; P60-Y71 HydrophobicContact CB-CE2 3.96Å; P60-Y71 HydrophobicContact CB-CG 4.3Å; P60-Y71 HydrophobicContact CG-CE1 4.29Å; P60-Y71 HydrophobicContact CG-CE2 4.1Å
61	L	95.3	Very high	94.9	Very high	110 Å²	110	44 Å²	44	58%	0.576	26%	0.264	S	S	*	.	H	α-helix	trans	-66.2	-21.7	179.4	-60	176.9	0	0	0	112.8	V22 T57 V58 I59	V22-L61 HydrophobicContact CG1-CB 3.98Å; V22-L61 HydrophobicContact CG1-CD1 4.2Å; V22-L61 HydrophobicContact CG2-CD1 4.39Å; T57-L61 WeakPolarHBondContact O-CG 3.14Å; V58-L61 WeakPolarHBondContact O-CB 3.38Å; V58-L61 PolarHBondContact O-N 3.21Å; V58-L61 VanDerWaalsContact O-N 3.13Å; I59-L61 PolarHBondContact O-N 3.39Å; I59-L61 VanDerWaalsContact O-N 3.11Å
62	R	96	Very high	95.2	Very high	42 Å²	42	46.9 Å²	46.9	16%	0.158	27%	0.271	C	S	.	.	H	α-helix	trans	-122.2	2.6	-175.4	-57	-57.6	-71	143.6	-3.7	113.2	V22 I25 E27 Y28 W39 I59 P60	V22-R62 HydrophobicContact CB-CG 4.45Å; V22-R62 HydrophobicContact CG1-CG 3.38Å; V22-R62 WeakPolarHBondContact O-CD 3.41Å; V22-R62 PolarHBondContact O-NE 2.89Å; V22-R62 VanDerWaalsContact O-NE 3.12Å; I25-R62 HydrophobicContact CB-CG 3.96Å; I25-R62 HydrophobicContact CG2-CB 3.81Å; I25-R62 HydrophobicContact CG2-CG 3.76Å; I25-R62 PolarHBondContact O-NE 2.99Å; I25-R62 PolarHBondContact O-NH2 3.2Å; E27-R62 CarbonylContact C-O 3.48Å; E27-R62 VanDerWaalsContact CA-O 3.29Å; E27-R62 WeakPolarHBondContact CA-O 3.41Å; E27-R62 IonicContact OE1-CZ 3.76Å; E27-R62 IonicContact OE1-NH1 3.17Å; E27-R62 PolarHBondContact OE1-NH1 2.69Å; E27-R62 IonicContact OE1-NH2 3.64Å; Y28-R62 PolarHBondContact N-O 2.86Å; W39-R62 HydrophobicContact CZ2-CB 3.83Å; I59-R62 PolarHBondContact O-N 3.19Å; P60-R62 PolarHBondContact O-N 3.45Å
63	L	97.3	Very high	95.6	Very high	9 Å²	9	52.3 Å²	52.3	5%	0.047	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-77.2	138.9	166.3	-64.7	-176.7	0	0	0	109.8	Y28 W39 I59 A67 F68 Y71 L89	Y28-L63 HydrophobicContact CD1-CD2 4.14Å; Y28-L63 WeakPolarHBondContact O-CA 3.47Å; W39-L63 HydrophobicContact CH2-CD2 3.48Å; W39-L63 VanDerWaalsContact CH2-CD2 3.48Å; W39-L63 HydrophobicContact CH2-CG 4.16Å; W39-L63 HydrophobicContact CZ2-CD2 4.16Å; W39-L63 HydrophobicContact CZ3-CD2 3.74Å; I59-L63 HydrophobicContact CG2-CD1 3.82Å; I59-L63 HydrophobicContact CG2-CD2 4.39Å; I59-L63 HydrophobicContact CG2-CG 4.05Å; I59-L63 WeakPolarHBondContact O-CG 3.36Å; I59-L63 PolarHBondContact O-N 3.5Å; L63-A67 HydrophobicContact CD2-CB 3.88Å; L63-F68 HydrophobicContact CB-CB 4.07Å; L63-F68 HydrophobicContact CB-CD2 4.16Å; L63-Y71 HydrophobicContact CD1-CG 4.28Å; L63-L89 HydrophobicContact CD1-CD1 4.04Å; L63-L89 HydrophobicContact CD1-CD2 3.99Å; L63-L89 HydrophobicContact CD2-CD1 4.39Å
64	T	96.7	Very high	96	Very high	45 Å²	45	46.7 Å²	46.7	28%	0.276	27%	0.265	S	S	.	.			trans	-134.6	176.9	172.5	61	0	0	0	0	109.3	E27 Y28 D29 G66 A67 F68	E27-T64 HydrophobicContact CB-CG2 4.19Å; E27-T64 HydrophobicContact CG-CG2 4.27Å; Y28-T64 PolarHBondContact O-N 2.92Å; D29-T64 WeakPolarHBondContact CA-O 3.36Å; D29-T64 WeakPolarHBondContact CA-OG1 3.24Å; D29-T64 WeakPolarHBondContact CB-OG1 3.38Å; T64-G66 PolarHBondContact O-N 3.29Å; T64-A67 PolarHBondContact O-N 3.37Å; T64-F68 PolarHBondContact O-N 3.16Å; T64-F68 VanDerWaalsContact O-N 3.08Å
65	G	95	Very high	96.3	Very high	51 Å²	51	46.5 Å²	46.5	53%	0.526	27%	0.269	S	S	.	.	H	α-helix	trans	50.3	-133.7	171.4	0	0	0	0	0	114.5	A67 F68 V69	G65-A67 VanDerWaalsContact C-N 3.33Å; G65-A67 PolarHBondContact O-N 3.23Å; G65-F68 PolarHBondContact O-N 3.32Å; G65-V69 PolarHBondContact O-N 2.99Å
66	G	93.7	Very high	96.4	Very high	42 Å²	42	49.7 Å²	49.7	43%	0.433	29%	0.288	S	S	.	.	H	α-helix	trans	-65.1	-34.2	-177.9	0	0	0	0	0	113.1	D29 T64 F68 V69 V70	D29-G66 PolarHBondContact O-N 3.03Å; D29-G66 VanDerWaalsContact O-N 3.07Å; T64-G66 PolarHBondContact O-N 3.29Å; G66-F68 PolarHBondContact O-N 2.91Å; G66-V69 WeakPolarHBondContact O-CB 3.43Å; G66-V69 PolarHBondContact O-N 3.3Å; G66-V69 VanDerWaalsContact O-N 3.16Å; G66-V70 PolarHBondContact O-N 3.06Å
67	A	96.7	Very high	96.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-65.3	-39.2	178.4	0	0	0	0	0	112.5	Y28 D29 L63 T64 G65 V69 V70 Y71 L93	Y28-A67 HydrophobicContact CD1-CB 3.73Å; Y28-A67 HydrophobicContact CE1-CB 4.14Å; D29-A67 PolarHBondContact O-N 3.44Å; D29-A67 VanDerWaalsContact O-N 3.14Å; L63-A67 HydrophobicContact CD2-CB 3.88Å; T64-A67 PolarHBondContact O-N 3.37Å; G65-A67 VanDerWaalsContact C-N 3.33Å; G65-A67 PolarHBondContact O-N 3.23Å; A67-V69 VanDerWaalsContact C-N 3.31Å; A67-V69 PolarHBondContact O-N 3.48Å; A67-V70 PolarHBondContact O-N 3.34Å; A67-Y71 PolarHBondContact O-N 2.93Å; A67-Y71 VanDerWaalsContact O-N 3.16Å; A67-L93 HydrophobicContact CB-CD1 3.6Å
68	F	97.8	Very high	96.6	Very high	80 Å²	80	53.9 Å²	53.9	35%	0.351	30%	0.303	S	S	.	.	H	α-helix	trans	-65.7	-35	173.8	-172.3	-105.2	0	0	0	112	L63 T64 G65 G66 Y71 M72	L63-F68 HydrophobicContact CB-CB 4.07Å; L63-F68 HydrophobicContact CB-CD2 4.16Å; T64-F68 PolarHBondContact O-N 3.16Å; T64-F68 VanDerWaalsContact O-N 3.08Å; G65-F68 PolarHBondContact O-N 3.32Å; G66-F68 PolarHBondContact O-N 2.91Å; F68-Y71 HydrophobicContact CD2-CD1 4.49Å; F68-Y71 HydrophobicContact CE2-CD1 4.25Å; F68-Y71 PolarHBondContact O-N 3.4Å; F68-M72 HydrophobicContact CD1-CG 3.88Å; F68-M72 HydrophobicContact CE1-CG 3.47Å; F68-M72 VanDerWaalsContact CE1-CG 3.47Å; F68-M72 HydrophobicContact CE1-SD 4.1Å; F68-M72 HydrophobicContact CE2-CG 4.35Å; F68-M72 HydrophobicContact CG-CG 4.48Å; F68-M72 HydrophobicContact CZ-CG 3.74Å; F68-M72 HydrophobicContact CZ-SD 3.84Å; F68-M72 WeakPolarHBondContact O-CB 3.46Å; F68-M72 WeakPolarHBondContact O-CG 3.44Å; F68-M72 PolarHBondContact O-N 3.11Å
69	V	97.7	Very high	96.7	Very high	75 Å²	75	56.1 Å²	56.1	46%	0.455	31%	0.311	S	S	.	.	H	α-helix	trans	-62.5	-44	174.8	174.9	0	0	0	0	111.2	G65 G66 A67 Y71 M72 Q73	G65-V69 PolarHBondContact O-N 2.99Å; G66-V69 WeakPolarHBondContact O-CB 3.43Å; G66-V69 PolarHBondContact O-N 3.3Å; G66-V69 VanDerWaalsContact O-N 3.16Å; A67-V69 VanDerWaalsContact C-N 3.31Å; A67-V69 PolarHBondContact O-N 3.48Å; V69-Y71 VanDerWaalsContact C-N 3.34Å; V69-Y71 PolarHBondContact O-N 3.45Å; V69-M72 CarbonylContact O-C 3.56Å; V69-M72 PolarHBondContact O-N 3.34Å; V69-M72 VanDerWaalsContact O-N 3.14Å; V69-Q73 WeakPolarHBondContact O-CG 3.33Å; V69-Q73 PolarHBondContact O-N 2.92Å
70	V	97.4	Very high	96.6	Very high	23 Å²	23	62.3 Å²	62.3	14%	0.139	34%	0.338	C	S	.	.	H	α-helix	trans	-57.6	-47.7	174.9	174.1	0	0	0	0	110.7	G66 A67 M72 Q73 L89 A92 L93	G66-V70 PolarHBondContact O-N 3.06Å; A67-V70 PolarHBondContact O-N 3.34Å; V70-M72 VanDerWaalsContact C-N 3.31Å; V70-M72 PolarHBondContact O-N 3.5Å; V70-Q73 PolarHBondContact O-N 3.42Å; V70-Q73 VanDerWaalsContact O-N 3.16Å; V70-L89 HydrophobicContact CB-CD2 4.16Å; V70-L89 HydrophobicContact CG1-CD2 4.03Å; V70-A92 HydrophobicContact CB-CB 4.43Å; V70-A92 HydrophobicContact CG1-CB 3.78Å; V70-A92 HydrophobicContact CG2-CB 3.71Å; V70-L93 HydrophobicContact CG2-CD2 4.47Å
71	Y	98	Very high	96.6	Very high	32 Å²	32	64.2 Å²	64.2	13%	0.125	35%	0.347	C	S	.	.	H	α-helix	trans	-58.6	-42.4	175.9	173.9	-95.1	0	0	0	112.2	P60 L63 A67 F68 V69 Q73 L74 R79 V85	P60-Y71 HydrophobicContact CB-CD1 3.98Å; P60-Y71 HydrophobicContact CB-CD2 4.29Å; P60-Y71 HydrophobicContact CB-CE1 3.63Å; P60-Y71 HydrophobicContact CB-CE2 3.96Å; P60-Y71 HydrophobicContact CB-CG 4.3Å; P60-Y71 HydrophobicContact CG-CE1 4.29Å; P60-Y71 HydrophobicContact CG-CE2 4.1Å; L63-Y71 HydrophobicContact CD1-CG 4.28Å; A67-Y71 PolarHBondContact O-N 2.93Å; A67-Y71 VanDerWaalsContact O-N 3.16Å; F68-Y71 HydrophobicContact CD2-CD1 4.49Å; F68-Y71 HydrophobicContact CE2-CD1 4.25Å; F68-Y71 PolarHBondContact O-N 3.4Å; V69-Y71 VanDerWaalsContact C-N 3.34Å; V69-Y71 PolarHBondContact O-N 3.45Å; Y71-Q73 VanDerWaalsContact C-N 3.26Å; Y71-Q73 PolarHBondContact O-N 3.07Å; Y71-L74 WeakPolarHBondContact O-CB 3.37Å; Y71-L74 PolarHBondContact O-N 3.14Å; Y71-R79 HydrophobicContact CE1-CG 4.41Å; Y71-R79 HydrophobicContact CE2-CB 4.04Å; Y71-R79 HydrophobicContact CE2-CG 3.95Å; Y71-V85 HydrophobicContact CD2-CG1 3.94Å; Y71-V85 HydrophobicContact CD2-CG2 4.23Å; Y71-V85 HydrophobicContact CE2-CG1 4.31Å; Y71-V85 HydrophobicContact CE2-CG2 4.02Å
72	M	97.8	Very high	96.6	Very high	89 Å²	89	60 Å²	60	44%	0.438	33%	0.328	S	S	.	.	H	α-helix	trans	-71.9	-15.7	179.7	-73.5	-62.3	-69	0	0	114.2	F68 V69 V70 R79	F68-M72 HydrophobicContact CD1-CG 3.88Å; F68-M72 HydrophobicContact CE1-CG 3.47Å; F68-M72 VanDerWaalsContact CE1-CG 3.47Å; F68-M72 HydrophobicContact CE1-SD 4.1Å; F68-M72 HydrophobicContact CE2-CG 4.35Å; F68-M72 HydrophobicContact CG-CG 4.48Å; F68-M72 HydrophobicContact CZ-CG 3.74Å; F68-M72 HydrophobicContact CZ-SD 3.84Å; F68-M72 WeakPolarHBondContact O-CB 3.46Å; F68-M72 WeakPolarHBondContact O-CG 3.44Å; F68-M72 PolarHBondContact O-N 3.11Å; V69-M72 CarbonylContact O-C 3.56Å; V69-M72 PolarHBondContact O-N 3.34Å; V69-M72 VanDerWaalsContact O-N 3.14Å; V70-M72 VanDerWaalsContact C-N 3.31Å; V70-M72 PolarHBondContact O-N 3.5Å; M72-R79 PolarHBondContact O-NH2 2.72Å; M72-R79 PolarHBondContact SD-NH1 3.08Å
73	Q	97.6	Very high	96.7	Very high	148 Å²	148	62.3 Å²	62.3	69%	0.692	34%	0.341	S	S	*	.	H	α-helix	trans	-82.9	-15.3	173.1	-72.7	172.8	-3.7	0	0	112.7	V69 V70 Y71	V69-Q73 WeakPolarHBondContact O-CG 3.33Å; V69-Q73 PolarHBondContact O-N 2.92Å; V70-Q73 PolarHBondContact O-N 3.42Å; V70-Q73 VanDerWaalsContact O-N 3.16Å; Y71-Q73 VanDerWaalsContact C-N 3.26Å; Y71-Q73 PolarHBondContact O-N 3.07Å
74	L	97.7	Very high	96.7	Very high	26 Å²	26	66.1 Å²	66.1	14%	0.136	36%	0.357	C	S	.	.	S	Bend	trans	-68.2	144.4	177	-69.6	173.2	0	0	0	112	Y71 R79 V85 A88	Y71-L74 WeakPolarHBondContact O-CB 3.37Å; Y71-L74 PolarHBondContact O-N 3.14Å; L74-R79 HydrophobicContact CB-CG 3.93Å; L74-R79 VanDerWaalsContact O-CZ 3.3Å; L74-R79 PolarHBondContact O-NE 3.26Å; L74-R79 PolarHBondContact O-NH2 2.88Å; L74-V85 HydrophobicContact CD1-CB 4.46Å; L74-V85 HydrophobicContact CD1-CG2 4.03Å; L74-A88 HydrophobicContact CD1-CB 3.93Å; L74-A88 HydrophobicContact CD2-CB 3.62Å; L74-A88 HydrophobicContact CG-CB 4.17Å
75	P	97.2	Very high	96.8	Very high	77 Å²	77	64 Å²	64	50%	0.5	34%	0.344	S	S	.	.			trans	-54	144.5	166.1	-23.4	33.8	0	0	0	111.3	E77 D78 R79	P75-E77 PolarHBondContact O-N 2.8Å; P75-E77 VanDerWaalsContact O-N 3.16Å; P75-D78 HydrophobicContact CB-CB 4.44Å; P75-D78 PolarHBondContact O-N 3Å; P75-R79 PolarHBondContact O-N 3.21Å; P75-R79 VanDerWaalsContact O-N 3.16Å
76	V	96.1	Very high	96.9	Very high	92 Å²	92	63 Å²	63	56%	0.558	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-33.6	-177.4	177.1	0	0	0	0	112	D78 R79	V76-D78 VanDerWaalsContact C-N 3.33Å; V76-R79 PolarHBondContact O-N 2.88Å
77	E	95.7	Very high	97.1	Very high	123 Å²	123	69.5 Å²	69.5	58%	0.575	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-32.3	176.8	-57.9	-48.1	146.4	0	0	112.9	P75 K80	P75-E77 PolarHBondContact O-N 2.8Å; P75-E77 VanDerWaalsContact O-N 3.16Å; E77-K80 IonicContact OE1-NZ 2.94Å; E77-K80 IonicContact OE2-NZ 3.52Å; E77-K80 PolarHBondContact OE2-NZ 3.42Å
78	D	97.1	Very high	97.1	Very high	41 Å²	41	70.6 Å²	70.6	22%	0.219	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-77.1	-27.4	178.6	-66.8	-13.9	0	0	0	111.9	P75 V76 K80 D81 K84	P75-D78 HydrophobicContact CB-CB 4.44Å; P75-D78 PolarHBondContact O-N 3Å; V76-D78 VanDerWaalsContact C-N 3.33Å; D78-K80 PolarHBondContact O-N 2.97Å; D78-D81 PolarHBondContact O-N 2.94Å; D78-D81 VanDerWaalsContact O-N 3.07Å; D78-K84 HydrophobicContact CB-CB 4.18Å; D78-K84 HydrophobicContact CB-CD 3.79Å; D78-K84 VanDerWaalsContact CG-CD 3.5Å; D78-K84 WeakPolarHBondContact OD1-CD 3.37Å; D78-K84 WeakPolarHBondContact OD1-CE 3.29Å; D78-K84 IonicContact OD1-NZ 2.82Å; D78-K84 PolarHBondContact OD1-NZ 2.64Å
79	R	97.3	Very high	97	Very high	53 Å²	53	66.8 Å²	66.8	20%	0.2	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-65.1	-20.2	176.9	-66.9	-179.6	-155.3	-167.7	3	114	Y71 M72 L74 P75 V76 D81	Y71-R79 HydrophobicContact CE1-CG 4.41Å; Y71-R79 HydrophobicContact CE2-CB 4.04Å; Y71-R79 HydrophobicContact CE2-CG 3.95Å; M72-R79 PolarHBondContact O-NH2 2.72Å; M72-R79 PolarHBondContact SD-NH1 3.08Å; L74-R79 HydrophobicContact CB-CG 3.93Å; L74-R79 VanDerWaalsContact O-CZ 3.3Å; L74-R79 PolarHBondContact O-NE 3.26Å; L74-R79 PolarHBondContact O-NH2 2.88Å; P75-R79 PolarHBondContact O-N 3.21Å; P75-R79 VanDerWaalsContact O-N 3.16Å; V76-R79 PolarHBondContact O-N 2.88Å; R79-D81 VanDerWaalsContact C-N 3.31Å
80	K	94.6	Very high	96.9	Very high	129 Å²	129	65.5 Å²	65.5	56%	0.561	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-83.5	-12.2	176.8	-60.7	172.6	-168.4	159.3	0	112.2	E77 D78	E77-K80 IonicContact OE1-NZ 2.94Å; E77-K80 IonicContact OE2-NZ 3.52Å; E77-K80 PolarHBondContact OE2-NZ 3.42Å; D78-K80 PolarHBondContact O-N 2.97Å
81	D	96.2	Very high	96.8	Very high	61 Å²	61	68.8 Å²	68.8	33%	0.326	35%	0.351	S	S	.	.			trans	-106.2	111.6	-176.8	-176.6	-22.8	0	0	0	109.6	D78 R79 E83 K84 V85	D78-D81 PolarHBondContact O-N 2.94Å; D78-D81 VanDerWaalsContact O-N 3.07Å; R79-D81 VanDerWaalsContact C-N 3.31Å; D81-E83 VanDerWaalsContact C-N 3.25Å; D81-E83 PolarHBondContact O-N 3.35Å; D81-E83 WeakPolarHBondContact OD1-CB 3.42Å; D81-E83 PolarHBondContact OD1-N 2.84Å; D81-K84 HydrophobicContact CB-CB 4.09Å; D81-K84 HydrophobicContact CB-CD 3.98Å; D81-K84 HydrophobicContact CB-CG 4.02Å; D81-K84 PolarHBondContact O-N 2.99Å; D81-K84 PolarHBondContact OD1-N 3.29Å; D81-K84 WeakPolarHBondContact OD2-CE 3.17Å; D81-K84 WeakPolarHBondContact OD2-CG 3.5Å; D81-V85 WeakPolarHBondContact O-CG2 3.49Å; D81-V85 PolarHBondContact O-N 3.44Å
82	A	96.1	Very high	96.6	Very high	22 Å²	22	70.1 Å²	70.1	18%	0.182	37%	0.368	C	S	.	.	H	α-helix	trans	-59.5	-37.2	-178	0	0	0	0	0	111.9	V55 A56 V85 K86	V55-A82 HydrophobicContact CB-CB 4.21Å; A56-A82 HydrophobicContact CB-CB 4.03Å; A82-V85 PolarHBondContact O-N 2.86Å; A82-K86 WeakPolarHBondContact O-CB 3.37Å; A82-K86 VanDerWaalsContact O-CG 3.24Å; A82-K86 WeakPolarHBondContact O-CG 3.18Å; A82-K86 PolarHBondContact O-N 3.45Å
83	E	97	Very high	96.3	Very high	90 Å²	90	67.6 Å²	67.6	42%	0.421	36%	0.357	S	S	.	.	H	α-helix	trans	-67.1	-40.9	-179.8	-70.1	-58.1	135.5	0	0	111.5	D81 K86 R87	D81-E83 VanDerWaalsContact C-N 3.25Å; D81-E83 PolarHBondContact O-N 3.35Å; D81-E83 WeakPolarHBondContact OD1-CB 3.42Å; D81-E83 PolarHBondContact OD1-N 2.84Å; E83-K86 WeakPolarHBondContact OE1-CE 3.28Å; E83-K86 IonicContact OE1-NZ 3.6Å; E83-K86 PolarHBondContact OE1-NZ 3.37Å; E83-K86 IonicContact OE2-NZ 2.67Å; E83-R87 WeakPolarHBondContact O-CB 3.16Å; E83-R87 WeakPolarHBondContact O-CG 3.39Å; E83-R87 PolarHBondContact O-N 3.04Å
84	K	97.9	Very high	95.9	Very high	89 Å²	89	62.9 Å²	62.9	39%	0.387	34%	0.343	S	S	.	.	H	α-helix	trans	-67.6	-42.6	177	-67.6	-176.3	-176.2	177.1	0	112	D78 D81 R87 A88	D78-K84 HydrophobicContact CB-CB 4.18Å; D78-K84 HydrophobicContact CB-CD 3.79Å; D78-K84 VanDerWaalsContact CG-CD 3.5Å; D78-K84 WeakPolarHBondContact OD1-CD 3.37Å; D78-K84 WeakPolarHBondContact OD1-CE 3.29Å; D78-K84 IonicContact OD1-NZ 2.82Å; D78-K84 PolarHBondContact OD1-NZ 2.64Å; D81-K84 HydrophobicContact CB-CB 4.09Å; D81-K84 HydrophobicContact CB-CD 3.98Å; D81-K84 HydrophobicContact CB-CG 4.02Å; D81-K84 PolarHBondContact O-N 2.99Å; D81-K84 PolarHBondContact OD1-N 3.29Å; D81-K84 WeakPolarHBondContact OD2-CE 3.17Å; D81-K84 WeakPolarHBondContact OD2-CG 3.5Å; K84-R87 PolarHBondContact O-N 2.88Å; K84-A88 WeakPolarHBondContact O-CB 3.2Å; K84-A88 PolarHBondContact O-N 2.67Å
85	V	97.9	Very high	95.2	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-60.2	-49.3	175.5	173.1	0	0	0	0	110.8	I59 Y71 L74 D81 A82 R87 A88 L89	I59-V85 HydrophobicContact CB-CG1 4.47Å; I59-V85 HydrophobicContact CD1-CG1 4.03Å; I59-V85 HydrophobicContact CG2-CG1 3.85Å; Y71-V85 HydrophobicContact CD2-CG1 3.94Å; Y71-V85 HydrophobicContact CD2-CG2 4.23Å; Y71-V85 HydrophobicContact CE2-CG1 4.31Å; Y71-V85 HydrophobicContact CE2-CG2 4.02Å; L74-V85 HydrophobicContact CD1-CB 4.46Å; L74-V85 HydrophobicContact CD1-CG2 4.03Å; D81-V85 WeakPolarHBondContact O-CG2 3.49Å; D81-V85 PolarHBondContact O-N 3.44Å; A82-V85 PolarHBondContact O-N 2.86Å; V85-R87 PolarHBondContact O-N 3.49Å; V85-A88 PolarHBondContact O-N 3.31Å; V85-L89 HydrophobicContact CG1-CD1 3.84Å; V85-L89 HydrophobicContact CG1-CG 4.44Å; V85-L89 WeakPolarHBondContact O-CG 3.45Å; V85-L89 PolarHBondContact O-N 3.3Å
86	K	97.4	Very high	94.4	Very high	32 Å²	32	65.1 Å²	65.1	14%	0.139	35%	0.353	C	S	.	.	H	α-helix	trans	-57.6	-50.1	177.1	-75.2	-172.8	-63.3	174.7	0	111.6	L40 E44 I59 A82 E83 A88 L89 T90	L40-K86 HydrophobicContact CD1-CB 4.1Å; L40-K86 HydrophobicContact CD1-CD 4.48Å; L40-K86 HydrophobicContact CD1-CG 3.94Å; L40-K86 HydrophobicContact CD2-CG 3.94Å; L40-K86 HydrophobicContact CG-CG 4.48Å; E44-K86 VanDerWaalsContact OE1-CD 3.24Å; E44-K86 WeakPolarHBondContact OE1-CD 3.24Å; E44-K86 WeakPolarHBondContact OE1-CE 3.26Å; E44-K86 IonicContact OE1-NZ 2.78Å; E44-K86 PolarHBondContact OE1-NZ 3.35Å; I59-K86 HydrophobicContact CD1-CG 4.13Å; A82-K86 WeakPolarHBondContact O-CB 3.37Å; A82-K86 VanDerWaalsContact O-CG 3.24Å; A82-K86 WeakPolarHBondContact O-CG 3.18Å; A82-K86 PolarHBondContact O-N 3.45Å; E83-K86 WeakPolarHBondContact OE1-CE 3.28Å; E83-K86 IonicContact OE1-NZ 3.6Å; E83-K86 PolarHBondContact OE1-NZ 3.37Å; E83-K86 IonicContact OE2-NZ 2.67Å; K86-A88 VanDerWaalsContact C-N 3.31Å; K86-A88 PolarHBondContact O-N 3.41Å; K86-L89 PolarHBondContact O-N 3.35Å; K86-T90 WeakPolarHBondContact O-CB 3.4Å; K86-T90 PolarHBondContact O-N 3.45Å; K86-T90 PolarHBondContact O-OG1 3.27Å
87	R	97	Very high	93.7	Very high	178 Å²	178	64.9 Å²	64.9	67%	0.672	36%	0.355	S	S	*	.	H	α-helix	trans	-58.2	-42.9	179.1	-74.8	175.3	-162.8	-163.7	5.4	112.2	E83 K84 V85 A91	E83-R87 WeakPolarHBondContact O-CB 3.16Å; E83-R87 WeakPolarHBondContact O-CG 3.39Å; E83-R87 PolarHBondContact O-N 3.04Å; K84-R87 PolarHBondContact O-N 2.88Å; V85-R87 PolarHBondContact O-N 3.49Å; R87-A91 WeakPolarHBondContact O-CB 3.42Å; R87-A91 PolarHBondContact O-N 3Å
88	A	97.2	Very high	93.1	Very high	23 Å²	23	66.5 Å²	66.5	19%	0.19	36%	0.361	C	S	.	.	H	α-helix	trans	-66.8	-43.7	179.5	0	0	0	0	0	112.6	L74 K84 V85 K86 A91 A92	L74-A88 HydrophobicContact CD1-CB 3.93Å; L74-A88 HydrophobicContact CD2-CB 3.62Å; L74-A88 HydrophobicContact CG-CB 4.17Å; K84-A88 WeakPolarHBondContact O-CB 3.2Å; K84-A88 PolarHBondContact O-N 2.67Å; V85-A88 PolarHBondContact O-N 3.31Å; K86-A88 VanDerWaalsContact C-N 3.31Å; K86-A88 PolarHBondContact O-N 3.41Å; A88-A91 PolarHBondContact O-N 3.47Å; A88-A92 VanDerWaalsContact O-CB 3.29Å; A88-A92 WeakPolarHBondContact O-CB 3.46Å; A88-A92 PolarHBondContact O-N 2.94Å
89	L	96.8	Very high	92.4	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-63.2	-47	176.2	-69.9	170	0	0	0	111.2	I36 L40 I59 L63 V70 V85 K86 A92 L93	I36-L89 HydrophobicContact CD1-CB 3.99Å; I36-L89 HydrophobicContact CD1-CD1 4.46Å; I36-L89 HydrophobicContact CG1-CB 4.15Å; L40-L89 HydrophobicContact CD2-CD1 4.49Å; I59-L89 HydrophobicContact CG2-CD1 3.77Å; L63-L89 HydrophobicContact CD1-CD1 4.04Å; L63-L89 HydrophobicContact CD1-CD2 3.99Å; L63-L89 HydrophobicContact CD2-CD1 4.39Å; V70-L89 HydrophobicContact CB-CD2 4.16Å; V70-L89 HydrophobicContact CG1-CD2 4.03Å; V85-L89 HydrophobicContact CG1-CD1 3.84Å; V85-L89 HydrophobicContact CG1-CG 4.44Å; V85-L89 WeakPolarHBondContact O-CG 3.45Å; V85-L89 PolarHBondContact O-N 3.3Å; K86-L89 PolarHBondContact O-N 3.35Å; L89-A92 PolarHBondContact O-N 3.3Å; L89-L93 HydrophobicContact CD2-CD1 4Å; L89-L93 VanDerWaalsContact O-CB 3.26Å; L89-L93 WeakPolarHBondContact O-CB 3.4Å; L89-L93 PolarHBondContact O-N 3.44Å
90	T	95.4	Very high	91.8	Very high	48 Å²	48	67.4 Å²	67.4	29%	0.294	38%	0.378	S	S	.	.	H	α-helix	trans	-62.4	-45.5	176.8	-57	0	0	0	0	111	K86 A92 L93 A94	K86-T90 WeakPolarHBondContact O-CB 3.4Å; K86-T90 PolarHBondContact O-N 3.45Å; K86-T90 PolarHBondContact O-OG1 3.27Å; T90-A92 VanDerWaalsContact C-N 3.26Å; T90-A92 PolarHBondContact O-N 2.96Å; T90-L93 PolarHBondContact O-N 3.29Å; T90-A94 HydrophobicContact CG2-CB 3.93Å; T90-A94 WeakPolarHBondContact O-CA 3.49Å; T90-A94 WeakPolarHBondContact O-CB 2.96Å; T90-A94 PolarHBondContact O-N 2.89Å
91	A	94.1	Very high	91.4	Very high	92 Å²	92	68.1 Å²	68.1	76%	0.76	38%	0.378	S	S	*	.	H	α-helix	trans	-62.7	-32.9	178.9	0	0	0	0	0	113.1	R87 A88	R87-A91 WeakPolarHBondContact O-CB 3.42Å; R87-A91 PolarHBondContact O-N 3Å; A88-A91 PolarHBondContact O-N 3.47Å
92	A	93.6	Very high	91	Very high	59 Å²	59	71 Å²	71	49%	0.488	39%	0.39	S	S	.	.	H	α-helix	trans	-88	-30	-178.5	0	0	0	0	0	114.1	V70 A88 L89 T90	V70-A92 HydrophobicContact CB-CB 4.43Å; V70-A92 HydrophobicContact CG1-CB 3.78Å; V70-A92 HydrophobicContact CG2-CB 3.71Å; A88-A92 VanDerWaalsContact O-CB 3.29Å; A88-A92 WeakPolarHBondContact O-CB 3.46Å; A88-A92 PolarHBondContact O-N 2.94Å; L89-A92 PolarHBondContact O-N 3.3Å; T90-A92 VanDerWaalsContact C-N 3.26Å; T90-A92 PolarHBondContact O-N 2.96Å
93	L	92.7	Very high	90.6	Very high	36 Å²	36	74.8 Å²	74.8	19%	0.188	40%	0.404	C	S	.	.	H	α-helix	trans	-121.6	-10.6	-166.7	-56	169.9	0	0	0	113.8	Y28 I36 A67 V70 L89 T90	Y28-L93 HydrophobicContact CD1-CD1 4.48Å; Y28-L93 HydrophobicContact CE1-CD1 3.73Å; I36-L93 HydrophobicContact CB-CB 4.47Å; A67-L93 HydrophobicContact CB-CD1 3.6Å; V70-L93 HydrophobicContact CG2-CD2 4.47Å; L89-L93 HydrophobicContact CD2-CD1 4Å; L89-L93 VanDerWaalsContact O-CB 3.26Å; L89-L93 WeakPolarHBondContact O-CB 3.4Å; L89-L93 PolarHBondContact O-N 3.44Å; T90-L93 PolarHBondContact O-N 3.29Å
94	A	89.3	Confident	90.2	Very high	49 Å²	49	78 Å²	78	41%	0.405	42%	0.417	S	S	.	.	S	Bend	trans	-67.3	137	174.6	0	0	0	0	0	110.4	I36 T90 D96	I36-A94 HydrophobicContact CG2-CB 4.2Å; T90-A94 HydrophobicContact CG2-CB 3.93Å; T90-A94 WeakPolarHBondContact O-CA 3.49Å; T90-A94 WeakPolarHBondContact O-CB 2.96Å; T90-A94 PolarHBondContact O-N 2.89Å; A94-D96 PolarHBondContact O-N 3.32Å
95	V	82.7	Confident	89.8	Confident	67 Å²	67	77.7 Å²	77.7	41%	0.406	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-68.7	122.8	172.6	-177.5	0	0	0	0	107.9	V99 A100	V95-V99 HydrophobicContact CG1-CB 3.82Å; V95-V99 HydrophobicContact CG1-CG1 3.72Å; V95-A100 HydrophobicContact CG1-CB 4.1Å
96	D	80.2	Confident	89.4	Confident	84 Å²	84	81.7 Å²	81.7	45%	0.449	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-59.7	147.5	176.2	174.1	-92.3	0	0	0	111.4	A94 F98 V99 A100	A94-D96 PolarHBondContact O-N 3.32Å; D96-F98 PolarHBondContact O-N 3.04Å; D96-F98 WeakPolarHBondContact OD1-CA 3.43Å; D96-F98 WeakPolarHBondContact OD1-CB 3.41Å; D96-F98 VanDerWaalsContact OD1-CD2 3.26Å; D96-F98 WeakPolarHBondContact OD1-CD2 3.47Å; D96-F98 PolarHBondContact OD1-N 3.38Å; D96-V99 HydrophobicContact CB-CG2 4.19Å; D96-V99 PolarHBondContact O-N 3.22Å; D96-A100 PolarHBondContact O-N 2.85Å
97	S	81.3	Confident	89	Confident	86 Å²	86	87.7 Å²	87.7	60%	0.601	47%	0.472	S	S	*	.	H	α-helix	trans	-58.9	-33.7	-176.3	50.9	0	0	0	0	113.7	Y101	S97-Y101 WeakPolarHBondContact O-CB 3.26Å; S97-Y101 PolarHBondContact O-N 3.49Å
98	F	83.7	Confident	88.6	Confident	157 Å²	157	88 Å²	88	69%	0.689	48%	0.478	S	S	*	.	H	α-helix	trans	-69	-43.4	175.8	-65.2	-82.6	0	0	0	110.4	D96 A100 Y101 E102	D96-F98 PolarHBondContact O-N 3.04Å; D96-F98 WeakPolarHBondContact OD1-CA 3.43Å; D96-F98 WeakPolarHBondContact OD1-CB 3.41Å; D96-F98 VanDerWaalsContact OD1-CD2 3.26Å; D96-F98 WeakPolarHBondContact OD1-CD2 3.47Å; D96-F98 PolarHBondContact OD1-N 3.38Å; F98-A100 PolarHBondContact O-N 3.12Å; F98-Y101 PolarHBondContact O-N 2.98Å; F98-E102 WeakPolarHBondContact O-CG 3.39Å; F98-E102 PolarHBondContact O-N 2.91Å
99	V	82.7	Confident	88.1	Confident	70 Å²	70	91.4 Å²	91.4	42%	0.424	49%	0.492	S	S	.	.	H	α-helix	trans	-64.3	-41.8	177.1	-179.7	0	0	0	0	111	V95 D96 Y101 E102 Q103	V95-V99 HydrophobicContact CG1-CB 3.82Å; V95-V99 HydrophobicContact CG1-CG1 3.72Å; D96-V99 HydrophobicContact CB-CG2 4.19Å; D96-V99 PolarHBondContact O-N 3.22Å; V99-Y101 VanDerWaalsContact C-N 3.34Å; V99-Y101 PolarHBondContact O-N 3.49Å; V99-E102 PolarHBondContact O-N 2.92Å; V99-Q103 HydrophobicContact CG1-CG 4.46Å; V99-Q103 WeakPolarHBondContact O-CB 3.32Å; V99-Q103 VanDerWaalsContact O-CG 3.26Å; V99-Q103 WeakPolarHBondContact O-CG 3.26Å; V99-Q103 PolarHBondContact O-N 3.29Å
100	A	84	Confident	87.6	Confident	43 Å²	43	98.6 Å²	98.6	36%	0.355	52%	0.524	S	S	.	.	H	α-helix	trans	-62	-41.9	176.4	0	0	0	0	0	111.7	V95 D96 F98 Q103 F104	V95-A100 HydrophobicContact CG1-CB 4.1Å; D96-A100 PolarHBondContact O-N 2.85Å; F98-A100 PolarHBondContact O-N 3.12Å; A100-Q103 PolarHBondContact O-N 2.67Å; A100-F104 WeakPolarHBondContact O-CB 3.22Å; A100-F104 PolarHBondContact O-N 3.34Å
101	Y	86.7	Confident	87.3	Confident	144 Å²	144	103.9 Å²	103.9	57%	0.565	56%	0.556	S	S	*	*	H	α-helix	trans	-64.6	-47.1	175.4	179.8	-102.1	0	0	0	112.1	S97 F98 V99 Q103 F104 V105	S97-Y101 WeakPolarHBondContact O-CB 3.26Å; S97-Y101 PolarHBondContact O-N 3.49Å; F98-Y101 PolarHBondContact O-N 2.98Å; V99-Y101 VanDerWaalsContact C-N 3.34Å; V99-Y101 PolarHBondContact O-N 3.49Å; Y101-Q103 VanDerWaalsContact C-N 3.31Å; Y101-Q103 PolarHBondContact O-N 2.97Å; Y101-F104 WeakPolarHBondContact O-CB 3.47Å; Y101-F104 PolarHBondContact O-N 2.8Å; Y101-F104 VanDerWaalsContact O-N 3.09Å; Y101-V105 HydrophobicContact CD1-CG2 4.18Å; Y101-V105 HydrophobicContact CD2-CG2 4.18Å; Y101-V105 HydrophobicContact CE1-CG2 3.73Å; Y101-V105 HydrophobicContact CE2-CG2 3.72Å; Y101-V105 HydrophobicContact CG-CG2 4.4Å; Y101-V105 VanDerWaalsContact CZ-CG2 3.47Å; Y101-V105 WeakPolarHBondContact O-CG2 3.41Å; Y101-V105 PolarHBondContact O-N 3.01Å
102	E	87.6	Confident	87.2	Confident	123 Å²	123	106.2 Å²	106.2	58%	0.575	56%	0.556	S	S	*	*	H	α-helix	trans	-59.6	-41.3	176.6	-74.5	-63.2	141.8	0	0	111.7	F98 V99 F104 V105 S106	F98-E102 WeakPolarHBondContact O-CG 3.39Å; F98-E102 PolarHBondContact O-N 2.91Å; V99-E102 PolarHBondContact O-N 2.92Å; E102-F104 VanDerWaalsContact C-N 3.34Å; E102-F104 PolarHBondContact O-N 3.38Å; E102-V105 PolarHBondContact O-N 2.98Å; E102-S106 WeakPolarHBondContact O-CB 3.19Å; E102-S106 PolarHBondContact O-N 3.47Å; E102-S106 PolarHBondContact O-OG 2.66Å
103	Q	86.7	Confident	86.8	Confident	101 Å²	101	106.5 Å²	106.5	47%	0.472	55%	0.547	S	S	.	.	H	α-helix	trans	-62.9	-39.8	174	-74.3	174.7	-2.3	0	0	112.2	V99 A100 Y101 S106 R107	V99-Q103 HydrophobicContact CG1-CG 4.46Å; V99-Q103 WeakPolarHBondContact O-CB 3.32Å; V99-Q103 VanDerWaalsContact O-CG 3.26Å; V99-Q103 WeakPolarHBondContact O-CG 3.26Å; V99-Q103 PolarHBondContact O-N 3.29Å; A100-Q103 PolarHBondContact O-N 2.67Å; Y101-Q103 VanDerWaalsContact C-N 3.31Å; Y101-Q103 PolarHBondContact O-N 2.97Å; Q103-S106 WeakPolarHBondContact CA-OG 3.43Å; Q103-S106 PolarHBondContact O-OG 2.89Å; Q103-R107 WeakPolarHBondContact O-CB 3.43Å; Q103-R107 PolarHBondContact O-N 3.09Å; Q103-R107 VanDerWaalsContact O-N 3.12Å
104	F	88.3	Confident	86.3	Confident	157 Å²	157	109.6 Å²	109.6	69%	0.689	57%	0.57	S	S	*	*	H	α-helix	trans	-66.3	-46.2	177.6	178.4	-102.3	0	0	0	112.1	A100 Y101 E102 R107	A100-F104 WeakPolarHBondContact O-CB 3.22Å; A100-F104 PolarHBondContact O-N 3.34Å; Y101-F104 WeakPolarHBondContact O-CB 3.47Å; Y101-F104 PolarHBondContact O-N 2.8Å; Y101-F104 VanDerWaalsContact O-N 3.09Å; E102-F104 VanDerWaalsContact C-N 3.34Å; E102-F104 PolarHBondContact O-N 3.38Å; F104-R107 WeakPolarHBondContact O-CB 3.43Å; F104-R107 PolarHBondContact O-N 3.29Å
105	V	91.4	Very high	85.7	Confident	83 Å²	83	115.8 Å²	115.8	50%	0.503	61%	0.606	S	S	.	*	H	α-helix	trans	-73.2	-34.3	-178.3	177.7	0	0	0	0	112.1	Y101 E102 R107	Y101-V105 HydrophobicContact CD1-CG2 4.18Å; Y101-V105 HydrophobicContact CD2-CG2 4.18Å; Y101-V105 HydrophobicContact CE1-CG2 3.73Å; Y101-V105 HydrophobicContact CE2-CG2 3.72Å; Y101-V105 HydrophobicContact CG-CG2 4.4Å; Y101-V105 VanDerWaalsContact CZ-CG2 3.47Å; Y101-V105 WeakPolarHBondContact O-CG2 3.41Å; Y101-V105 PolarHBondContact O-N 3.01Å; E102-V105 PolarHBondContact O-N 2.98Å; V105-R107 VanDerWaalsContact C-N 3.3Å
106	S	89.5	Confident	85.9	Confident	84 Å²	84	118.3 Å²	118.3	59%	0.587	62%	0.616	S	S	*	*	H	α-helix	trans	-76.6	-17.2	176.7	61.6	0	0	0	0	113.4	E102 Q103 K108	E102-S106 WeakPolarHBondContact O-CB 3.19Å; E102-S106 PolarHBondContact O-N 3.47Å; E102-S106 PolarHBondContact O-OG 2.66Å; Q103-S106 WeakPolarHBondContact CA-OG 3.43Å; Q103-S106 PolarHBondContact O-OG 2.89Å; S106-K108 PolarHBondContact O-N 3.48Å
107	R	88.3	Confident	86.2	Confident	158 Å²	158	120.1 Å²	120.1	60%	0.596	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-63.3	123.9	176.6	-176.6	-179.2	176.6	144	-4.5	109.7	Q103 F104 V105 E113	Q103-R107 WeakPolarHBondContact O-CB 3.43Å; Q103-R107 PolarHBondContact O-N 3.09Å; Q103-R107 VanDerWaalsContact O-N 3.12Å; F104-R107 WeakPolarHBondContact O-CB 3.43Å; F104-R107 PolarHBondContact O-N 3.29Å; V105-R107 VanDerWaalsContact C-N 3.3Å; R107-E113 IonicContact CZ-OE1 3.62Å; R107-E113 IonicContact NH2-OE1 2.69Å; R107-E113 PolarHBondContact NH2-OE1 2.9Å; R107-E113 IonicContact NH2-OE2 3.66Å
108	K	87.7	Confident	86.5	Confident	183 Å²	183	121.9 Å²	121.9	80%	0.796	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-100.1	136.9	166.7	-64.4	-171.8	177.4	-176.9	0	109	S106	S106-K108 PolarHBondContact O-N 3.48Å
109	L	86.5	Confident	86.6	Confident	95 Å²	95	119.9 Å²	119.9	50%	0.497	62%	0.622	S	S	.	*	P	Polyproline II helix	trans	-57.6	140	170.6	-70	168.3	0	0	0	109.5	E113 P115	L109-E113 HydrophobicContact CB-CB 4.39Å; L109-E113 HydrophobicContact CD2-CB 4.01Å; L109-E113 HydrophobicContact CD2-CG 3.79Å; L109-P115 HydrophobicContact CD1-CB 4.38Å
110	K	88	Confident	86.9	Confident	151 Å²	151	123 Å²	123	66%	0.657	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-73.6	158.3	169.2	-65	178.5	-178.7	173.2	0	109.5	D112 E113	K110-D112 WeakPolarHBondContact CB-OD1 3.42Å; K110-D112 PolarHBondContact O-N 3.41Å; K110-E113 HydrophobicContact CB-CB 4.33Å; K110-E113 PolarHBondContact N-OE2 3.27Å; K110-E113 PolarHBondContact O-N 3.48Å
111	T	88.9	Confident	87.1	Confident	160 Å²	160	128.3 Å²	128.3	98%	0.982	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.3	-23.5	-175.3	-45.8	0	0	0	0	113.7
112	D	90.8	Very high	87.1	Confident	140 Å²	140	127.2 Å²	127.2	75%	0.749	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.7	0.9	-177.7	60.1	-36	0	0	0	114.1	K110	K110-D112 WeakPolarHBondContact CB-OD1 3.42Å; K110-D112 PolarHBondContact O-N 3.41Å
113	E	87	Confident	87	Confident	66 Å²	66	127.5 Å²	127.5	31%	0.308	67%	0.666	S	S	.	*	S	Bend	trans	-88.2	128.1	179.9	-156.8	170.5	-165.5	0	0	109.7	R107 L109 K110	R107-E113 IonicContact CZ-OE1 3.62Å; R107-E113 IonicContact NH2-OE1 2.69Å; R107-E113 PolarHBondContact NH2-OE1 2.9Å; R107-E113 IonicContact NH2-OE2 3.66Å; L109-E113 HydrophobicContact CB-CB 4.39Å; L109-E113 HydrophobicContact CD2-CB 4.01Å; L109-E113 HydrophobicContact CD2-CG 3.79Å; K110-E113 HydrophobicContact CB-CB 4.33Å; K110-E113 PolarHBondContact N-OE2 3.27Å; K110-E113 PolarHBondContact O-N 3.48Å
114	P	80.9	Confident	87.1	Confident	101 Å²	101	129.8 Å²	129.8	66%	0.656	68%	0.682	S	S	*	*			trans	-66.3	149	176.6	27.6	-33	0	0	0	110.8
115	P	77.7	Confident	87	Confident	179 Å²	179	127.3 Å²	127.3	100%	1.162	68%	0.681	S	S	*	*			trans	-68.3	0	174.4	30.4	-34.8	0	0	0	113	L109	L109-P115 HydrophobicContact CD1-CB 4.38Å

Retrieved 115 of 115 residues in 144.2 ms (Link to these results)

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