A0A3Q0KQ58_SCHMA Loading...

J domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KQ58, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 110 aa.

						>A0A3Q0KQ58_SCHMA|A0A3Q0KQ58
MSTPVLLGLGMIAVGVAGRYITRNMNAGSMQKLFSISGLSGSKYYRGGFEQNMSRREAALILGVSQQSSKNKIRDAHKKIMILNHPDKGGSPYLAAKINQAKDILESNKN
					

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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	61.1	Low	80.3	Confident	234 Å²	234	109.3 Å²	109.3	100%	1.153	64%	0.637	S	S	*	*				0	40.9	0	-69.2	-168.8	146.7	0	0	112.3
2	S	69.9	Low	80.8	Confident	91 Å²	91	109.4 Å²	109.4	64%	0.636	63%	0.631	S	S	*	*			trans	-116.3	4.8	-168.7	32.5	0	0	0	0	114.2
3	T	78.7	Confident	81.5	Confident	104 Å²	104	105.9 Å²	105.9	64%	0.638	62%	0.623	S	S	*	*	H	α-helix	trans	-66.3	-37.9	-179.2	51.9	0	0	0	0	115.1	L6 L7	T3-L6 PolarHBondContact O-N 2.81Å; T3-L7 WeakPolarHBondContact O-CG 3.49Å; T3-L7 PolarHBondContact O-N 2.96Å
4	P	81	Confident	82.1	Confident	86 Å²	86	105.6 Å²	105.6	56%	0.558	62%	0.623	S	S	*	*	H	α-helix	trans	-71.6	-34.9	-177	26.6	-33.2	0	0	0	112.9	L6 L7 G8	P4-L6 VanDerWaalsContact C-N 3.35Å; P4-L7 PolarHBondContact O-N 3.42Å; P4-G8 PolarHBondContact O-N 2.82Å
5	V	82	Confident	82.5	Confident	99 Å²	99	101.5 Å²	101.5	60%	0.6	61%	0.612	S	S	*	*	H	α-helix	trans	-66.1	-40.2	179.1	-176.5	0	0	0	0	110.7	G8 L9	V5-G8 PolarHBondContact O-N 2.92Å; V5-L9 HydrophobicContact CG1-CD1 4.21Å; V5-L9 WeakPolarHBondContact O-CG 3.47Å; V5-L9 PolarHBondContact O-N 3.38Å
6	L	84.5	Confident	82.9	Confident	132 Å²	132	101.4 Å²	101.4	69%	0.691	61%	0.612	S	S	*	*	H	α-helix	trans	-66.5	-40.1	177.4	-173.4	60.9	0	0	0	112.2	T3 P4 G10	T3-L6 PolarHBondContact O-N 2.81Å; P4-L6 VanDerWaalsContact C-N 3.35Å; L6-G10 PolarHBondContact O-N 3.03Å; L6-G10 VanDerWaalsContact O-N 3.16Å
7	L	83.6	Confident	83.3	Confident	127 Å²	127	98.6 Å²	98.6	67%	0.665	60%	0.602	S	S	*	*	H	α-helix	trans	-63.3	-41.3	174.2	-72.1	169.1	0	0	0	111.9	T3 P4 G10 M11	T3-L7 WeakPolarHBondContact O-CG 3.49Å; T3-L7 PolarHBondContact O-N 2.96Å; P4-L7 PolarHBondContact O-N 3.42Å; L7-G10 PolarHBondContact O-N 3.38Å; L7-M11 PolarHBondContact O-N 3.4Å
8	G	81.7	Confident	83.4	Confident	37 Å²	37	94.9 Å²	94.9	38%	0.381	59%	0.586	S	S	.	*	H	α-helix	trans	-63.6	-46.6	178.2	0	0	0	0	0	113.1	P4 V5 G10 M11 I12	P4-G8 PolarHBondContact O-N 2.82Å; V5-G8 PolarHBondContact O-N 2.92Å; G8-G10 VanDerWaalsContact C-N 3.33Å; G8-G10 PolarHBondContact O-N 3.1Å; G8-M11 PolarHBondContact O-N 2.89Å; G8-I12 PolarHBondContact O-N 3.08Å
9	L	86.6	Confident	83.4	Confident	111 Å²	111	98.6 Å²	98.6	58%	0.581	59%	0.588	S	S	*	*	H	α-helix	trans	-63.6	-37.8	178	-72.1	168.1	0	0	0	112.3	V5 M11 I12 A13	V5-L9 HydrophobicContact CG1-CD1 4.21Å; V5-L9 WeakPolarHBondContact O-CG 3.47Å; V5-L9 PolarHBondContact O-N 3.38Å; L9-M11 PolarHBondContact O-N 3.3Å; L9-I12 PolarHBondContact O-N 3.3Å; L9-A13 PolarHBondContact O-N 2.97Å
10	G	85.1	Confident	83.5	Confident	39 Å²	39	103 Å²	103	40%	0.402	60%	0.595	S	S	.	*	H	α-helix	trans	-60.9	-41.6	176.2	0	0	0	0	0	113.2	L6 L7 G8 I12 A13 V14	L6-G10 PolarHBondContact O-N 3.03Å; L6-G10 VanDerWaalsContact O-N 3.16Å; L7-G10 PolarHBondContact O-N 3.38Å; G8-G10 VanDerWaalsContact C-N 3.33Å; G8-G10 PolarHBondContact O-N 3.1Å; G10-I12 VanDerWaalsContact C-N 3.35Å; G10-I12 PolarHBondContact O-N 3.47Å; G10-A13 PolarHBondContact O-N 3.19Å; G10-V14 WeakPolarHBondContact O-CG2 3.35Å; G10-V14 PolarHBondContact O-N 3.47Å
11	M	88.5	Confident	83.5	Confident	142 Å²	142	103.3 Å²	103.3	70%	0.7	59%	0.594	S	S	*	*	H	α-helix	trans	-66	-35.1	179.3	-71.8	-63.3	-72.9	0	0	112.9	L7 G8 L9 V14 G15	L7-M11 PolarHBondContact O-N 3.4Å; G8-M11 PolarHBondContact O-N 2.89Å; L9-M11 PolarHBondContact O-N 3.3Å; M11-V14 PolarHBondContact O-N 3.12Å; M11-G15 PolarHBondContact O-N 3.01Å
12	I	87.4	Confident	84.5	Confident	111 Å²	111	94.7 Å²	94.7	57%	0.569	55%	0.554	S	S	*	*	H	α-helix	trans	-64.1	-43.9	176.5	-62.7	173.9	0	0	0	110.4	G8 L9 G10 V14 G15 V16	G8-I12 PolarHBondContact O-N 3.08Å; L9-I12 PolarHBondContact O-N 3.3Å; G10-I12 VanDerWaalsContact C-N 3.35Å; G10-I12 PolarHBondContact O-N 3.47Å; I12-V14 VanDerWaalsContact C-N 3.34Å; I12-V14 PolarHBondContact O-N 3.16Å; I12-G15 PolarHBondContact O-N 3.3Å; I12-G15 VanDerWaalsContact O-N 3.15Å; I12-V16 HydrophobicContact CG2-CG2 4.41Å; I12-V16 WeakPolarHBondContact O-CG2 3.49Å; I12-V16 PolarHBondContact O-N 2.97Å
13	A	89.1	Confident	84.8	Confident	64 Å²	64	98.4 Å²	98.4	53%	0.529	55%	0.554	S	S	.	*	H	α-helix	trans	-60.2	-43.1	178.5	0	0	0	0	0	112.1	L9 G10 G15 V16 A17	L9-A13 PolarHBondContact O-N 2.97Å; G10-A13 PolarHBondContact O-N 3.19Å; A13-G15 VanDerWaalsContact C-N 3.35Å; A13-G15 PolarHBondContact O-N 3.27Å; A13-V16 PolarHBondContact O-N 3.48Å; A13-A17 WeakPolarHBondContact O-CB 3.36Å; A13-A17 PolarHBondContact O-N 3.14Å
14	V	90.5	Very high	84.8	Confident	101 Å²	101	100.9 Å²	100.9	61%	0.612	56%	0.564	S	S	*	*	H	α-helix	trans	-62.2	-41.8	174.9	176.8	0	0	0	0	111.3	G10 M11 I12 G18	G10-V14 WeakPolarHBondContact O-CG2 3.35Å; G10-V14 PolarHBondContact O-N 3.47Å; M11-V14 PolarHBondContact O-N 3.12Å; I12-V14 VanDerWaalsContact C-N 3.34Å; I12-V14 PolarHBondContact O-N 3.16Å; V14-G18 PolarHBondContact O-N 3.32Å
15	G	87.3	Confident	84.3	Confident	45 Å²	45	100 Å²	100	46%	0.464	55%	0.553	S	S	.	*	H	α-helix	trans	-63.6	-43.2	178	0	0	0	0	0	113.6	M11 I12 A13 R19	M11-G15 PolarHBondContact O-N 3.01Å; I12-G15 PolarHBondContact O-N 3.3Å; I12-G15 VanDerWaalsContact O-N 3.15Å; A13-G15 VanDerWaalsContact C-N 3.35Å; A13-G15 PolarHBondContact O-N 3.27Å; G15-R19 WeakPolarHBondContact O-CB 3.08Å; G15-R19 PolarHBondContact O-N 3Å
16	V	89.5	Confident	83.9	Confident	100 Å²	100	101.4 Å²	101.4	61%	0.606	56%	0.557	S	S	*	*	H	α-helix	trans	-68.1	-45	178.3	175.5	0	0	0	0	111.2	I12 A13 R19 Y20	I12-V16 HydrophobicContact CG2-CG2 4.41Å; I12-V16 WeakPolarHBondContact O-CG2 3.49Å; I12-V16 PolarHBondContact O-N 2.97Å; A13-V16 PolarHBondContact O-N 3.48Å; V16-R19 PolarHBondContact O-N 3.35Å; V16-Y20 PolarHBondContact O-N 3.1Å; V16-Y20 VanDerWaalsContact O-N 3.09Å
17	A	88.6	Confident	83.3	Confident	54 Å²	54	98.4 Å²	98.4	45%	0.446	55%	0.552	S	S	.	*	H	α-helix	trans	-61.9	-43.5	175.9	0	0	0	0	0	111.6	A13 R19 Y20 I21	A13-A17 WeakPolarHBondContact O-CB 3.36Å; A13-A17 PolarHBondContact O-N 3.14Å; A17-R19 PolarHBondContact O-N 3.16Å; A17-Y20 PolarHBondContact O-N 3.28Å; A17-I21 WeakPolarHBondContact O-CG1 3.5Å; A17-I21 PolarHBondContact O-N 2.84Å; A17-I21 VanDerWaalsContact O-N 3.16Å
18	G	86.2	Confident	82.5	Confident	31 Å²	31	94.4 Å²	94.4	32%	0.32	54%	0.541	S	S	.	.	H	α-helix	trans	-57.9	-46.8	174.2	0	0	0	0	0	112.2	V14 Y20 I21 T22	V14-G18 PolarHBondContact O-N 3.32Å; G18-Y20 VanDerWaalsContact C-N 3.29Å; G18-Y20 PolarHBondContact O-N 2.67Å; G18-I21 PolarHBondContact O-N 2.92Å; G18-T22 WeakPolarHBondContact O-CG2 3.45Å; G18-T22 PolarHBondContact O-N 3.1Å; G18-T22 PolarHBondContact O-OG1 3.29Å
19	R	82.7	Confident	81.9	Confident	166 Å²	166	95.3 Å²	95.3	63%	0.626	54%	0.541	S	S	*	.	H	α-helix	trans	-62.4	-34.1	178.4	-171.6	173.3	-174.2	-176.5	2.4	112.8	G15 V16 A17 T22 R23	G15-R19 WeakPolarHBondContact O-CB 3.08Å; G15-R19 PolarHBondContact O-N 3Å; V16-R19 PolarHBondContact O-N 3.35Å; A17-R19 PolarHBondContact O-N 3.16Å; R19-T22 PolarHBondContact O-OG1 2.9Å; R19-R23 WeakPolarHBondContact O-CG 3.36Å; R19-R23 PolarHBondContact O-N 2.96Å
20	Y	86	Confident	80.8	Confident	186 Å²	186	94.8 Å²	94.8	73%	0.729	54%	0.537	S	S	*	.	H	α-helix	trans	-65.8	-47.5	175.8	-174.6	-96.4	0	0	0	111.2	V16 A17 G18 T22 R23	V16-Y20 PolarHBondContact O-N 3.1Å; V16-Y20 VanDerWaalsContact O-N 3.09Å; A17-Y20 PolarHBondContact O-N 3.28Å; G18-Y20 VanDerWaalsContact C-N 3.29Å; G18-Y20 PolarHBondContact O-N 2.67Å; Y20-T22 VanDerWaalsContact C-N 3.32Å; Y20-T22 PolarHBondContact O-N 2.89Å; Y20-R23 PolarHBondContact O-N 3.5Å
21	I	84.2	Confident	79.9	Confident	110 Å²	110	99.5 Å²	99.5	56%	0.564	55%	0.549	S	S	*	.	H	α-helix	trans	-62	-39.8	179.4	-63.7	164.5	0	0	0	110.9	A17 G18 R23 M25	A17-I21 WeakPolarHBondContact O-CG1 3.5Å; A17-I21 PolarHBondContact O-N 2.84Å; A17-I21 VanDerWaalsContact O-N 3.16Å; G18-I21 PolarHBondContact O-N 2.92Å; I21-R23 PolarHBondContact O-N 3.34Å; I21-M25 HydrophobicContact CG2-SD 3.85Å; I21-M25 WeakPolarHBondContact O-CG 3.49Å
22	T	80.5	Confident	78.7	Confident	52 Å²	52	99.5 Å²	99.5	32%	0.319	55%	0.545	S	S	.	.	H	α-helix	trans	-74.3	-18.6	-176.8	58.4	0	0	0	0	115	G18 R19 Y20 N24 M25	G18-T22 WeakPolarHBondContact O-CG2 3.45Å; G18-T22 PolarHBondContact O-N 3.1Å; G18-T22 PolarHBondContact O-OG1 3.29Å; R19-T22 PolarHBondContact O-OG1 2.9Å; Y20-T22 VanDerWaalsContact C-N 3.32Å; Y20-T22 PolarHBondContact O-N 2.89Å; T22-N24 PolarHBondContact O-N 3.35Å; T22-M25 PolarHBondContact O-N 3.42Å
23	R	77.4	Confident	77.8	Confident	169 Å²	169	99.3 Å²	99.3	64%	0.638	54%	0.544	S	S	*	.	H	α-helix	trans	-68	-33.9	-175.1	-82.8	170.9	-175.9	-163.5	2.5	113.6	R19 Y20 I21	R19-R23 WeakPolarHBondContact O-CG 3.36Å; R19-R23 PolarHBondContact O-N 2.96Å; Y20-R23 PolarHBondContact O-N 3.5Å; I21-R23 PolarHBondContact O-N 3.34Å
24	N	77.8	Confident	76.7	Confident	157 Å²	157	101.9 Å²	101.9	84%	0.84	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-0.5	176.6	-95.4	31.7	0	0	0	113.2	T22	T22-N24 PolarHBondContact O-N 3.35Å
25	M	71	Confident	75.5	Confident	66 Å²	66	99.6 Å²	99.6	33%	0.325	53%	0.533	S	S	.	.	S	Bend	trans	-90.4	123.1	178.4	-68.4	178.4	72.8	0	0	109.7	I21 T22	I21-M25 HydrophobicContact CG2-SD 3.85Å; I21-M25 WeakPolarHBondContact O-CG 3.49Å; T22-M25 PolarHBondContact O-N 3.42Å
26	N	73.3	Confident	74.5	Confident	129 Å²	129	103.7 Å²	103.7	69%	0.69	54%	0.542	S	S	*	.			trans	-54.5	146.8	172.8	-63.2	-17.7	0	0	0	110.5	G28 S29	N26-G28 PolarHBondContact O-N 2.82Å; N26-S29 PolarHBondContact O-N 3.41Å
27	A	71.3	Confident	73.5	Confident	70 Å²	70	102.8 Å²	102.8	58%	0.579	54%	0.541	S	S	*	.	H	α-helix	trans	-49.3	-32.3	-178.2	0	0	0	0	0	113.6	S29 M30 Q31	A27-S29 PolarHBondContact O-N 2.85Å; A27-M30 PolarHBondContact O-N 2.86Å; A27-Q31 WeakPolarHBondContact O-CG 3.34Å; A27-Q31 PolarHBondContact O-N 3.33Å; A27-Q31 VanDerWaalsContact O-N 3.11Å
28	G	68	Low	72.2	Confident	43 Å²	43	103.4 Å²	103.4	44%	0.443	55%	0.552	S	S	.	*	H	α-helix	trans	-63.7	-33.4	175.6	0	0	0	0	0	114.9	N26 K32	N26-G28 PolarHBondContact O-N 2.82Å; G28-K32 PolarHBondContact O-N 3.28Å; G28-K32 VanDerWaalsContact O-N 3.11Å
29	S	69.6	Low	71.3	Confident	55 Å²	55	107 Å²	107	39%	0.385	56%	0.563	S	S	.	*	H	α-helix	trans	-74.9	-33.6	177.3	-59.5	0	0	0	0	111.9	N26 A27 K32 L33	N26-S29 PolarHBondContact O-N 3.41Å; A27-S29 PolarHBondContact O-N 2.85Å; S29-K32 WeakPolarHBondContact O-CB 3.47Å; S29-K32 PolarHBondContact O-N 2.95Å; S29-L33 PolarHBondContact O-N 3.16Å
30	M	63.3	Low	70.4	Confident	101 Å²	101	103 Å²	103	50%	0.498	56%	0.561	S	S	.	*	H	α-helix	trans	-66.8	-40.6	173.8	-161.1	-159.9	-69.5	0	0	111	A27 K32 L33 F34	A27-M30 PolarHBondContact O-N 2.86Å; M30-K32 VanDerWaalsContact C-N 3.29Å; M30-K32 PolarHBondContact O-N 3.49Å; M30-L33 PolarHBondContact O-N 3Å; M30-F34 PolarHBondContact O-N 2.89Å
31	Q	65.5	Low	69.3	Low	138 Å²	138	97.1 Å²	97.1	65%	0.645	56%	0.557	S	S	*	*	H	α-helix	trans	-59.1	-40.2	172.1	-69.8	170.7	6.7	0	0	111.9	A27 F34 S35	A27-Q31 WeakPolarHBondContact O-CG 3.34Å; A27-Q31 PolarHBondContact O-N 3.33Å; A27-Q31 VanDerWaalsContact O-N 3.11Å; Q31-F34 PolarHBondContact O-N 3.49Å; Q31-S35 PolarHBondContact O-N 3.43Å; Q31-S35 PolarHBondContact O-OG 2.95Å
32	K	63.9	Low	68.3	Low	142 Å²	142	95.3 Å²	95.3	62%	0.617	55%	0.554	S	S	*	*	H	α-helix	trans	-65.7	-38.5	175.9	-163.6	177.7	-176	-178.3	0	112.4	G28 S29 M30 S35 I36	G28-K32 PolarHBondContact O-N 3.28Å; G28-K32 VanDerWaalsContact O-N 3.11Å; S29-K32 WeakPolarHBondContact O-CB 3.47Å; S29-K32 PolarHBondContact O-N 2.95Å; M30-K32 VanDerWaalsContact C-N 3.29Å; M30-K32 PolarHBondContact O-N 3.49Å; K32-S35 WeakPolarHBondContact CA-OG 2.82Å; K32-S35 PolarHBondContact O-N 3.34Å; K32-S35 PolarHBondContact O-OG 3.3Å; K32-I36 HydrophobicContact CG-CD1 4.28Å; K32-I36 WeakPolarHBondContact O-CD1 3.34Å; K32-I36 VanDerWaalsContact O-CG1 3.24Å; K32-I36 WeakPolarHBondContact O-CG1 3.3Å; K32-I36 PolarHBondContact O-N 2.99Å
33	L	67.4	Low	68	Low	106 Å²	106	102.5 Å²	102.5	56%	0.555	58%	0.581	S	S	*	*	H	α-helix	trans	-65.6	-41.4	176.4	-153	135.1	0	0	0	110.8	S29 M30 I36 S37	S29-L33 PolarHBondContact O-N 3.16Å; M30-L33 PolarHBondContact O-N 3Å; L33-I36 PolarHBondContact O-N 3.39Å; L33-S37 PolarHBondContact O-N 3.43Å; L33-S37 VanDerWaalsContact O-N 3.13Å; L33-S37 PolarHBondContact O-OG 2.95Å
34	F	66.8	Low	68.2	Low	118 Å²	118	103.7 Å²	103.7	52%	0.518	59%	0.586	S	S	.	*	H	α-helix	trans	-66.3	-35.7	175.9	-129.9	-100.3	0	0	0	113.3	M30 Q31 L39	M30-F34 PolarHBondContact O-N 2.89Å; Q31-F34 PolarHBondContact O-N 3.49Å; F34-L39 HydrophobicContact CD1-CB 4Å; F34-L39 HydrophobicContact CD1-CD2 3.87Å; F34-L39 HydrophobicContact CD1-CG 3.91Å; F34-L39 HydrophobicContact CE1-CB 4.1Å; F34-L39 HydrophobicContact CE1-CD2 3.14Å; F34-L39 HydrophobicContact CE1-CG 3.5Å; F34-L39 VanDerWaalsContact CE1-CG 3.5Å; F34-L39 HydrophobicContact CE2-CD2 4.35Å; F34-L39 HydrophobicContact CZ-CD2 3.43Å; F34-L39 VanDerWaalsContact CZ-CD2 3.43Å; F34-L39 HydrophobicContact CZ-CG 4.29Å
35	S	64.5	Low	68.5	Low	54 Å²	54	104.6 Å²	104.6	38%	0.378	58%	0.579	S	S	.	*	H	α-helix	trans	-72.5	-32.8	176.2	65.8	0	0	0	0	112.9	Q31 K32	Q31-S35 PolarHBondContact O-N 3.43Å; Q31-S35 PolarHBondContact O-OG 2.95Å; K32-S35 WeakPolarHBondContact CA-OG 2.82Å; K32-S35 PolarHBondContact O-N 3.34Å; K32-S35 PolarHBondContact O-OG 3.3Å
36	I	67.4	Low	69	Low	131 Å²	131	112.8 Å²	112.8	67%	0.672	61%	0.607	S	S	*	*	H	α-helix	trans	-67.4	-37.4	173.2	-69	164.7	0	0	0	111.4	K32 L33 G38	K32-I36 HydrophobicContact CG-CD1 4.28Å; K32-I36 WeakPolarHBondContact O-CD1 3.34Å; K32-I36 VanDerWaalsContact O-CG1 3.24Å; K32-I36 WeakPolarHBondContact O-CG1 3.3Å; K32-I36 PolarHBondContact O-N 2.99Å; L33-I36 PolarHBondContact O-N 3.39Å; I36-G38 PolarHBondContact O-N 3.44Å
37	S	68.9	Low	69.8	Low	81 Å²	81	110.2 Å²	110.2	57%	0.566	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	8.4	179.1	-56.5	0	0	0	0	114.7	L33 L39	L33-S37 PolarHBondContact O-N 3.43Å; L33-S37 VanDerWaalsContact O-N 3.13Å; L33-S37 PolarHBondContact O-OG 2.95Å; S37-L39 PolarHBondContact O-N 3.49Å
38	G	61.2	Low	70.8	Confident	66 Å²	66	110.5 Å²	110.5	68%	0.68	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	66	5.2	-175.6	0	0	0	0	0	113.4	I36 S40	I36-G38 PolarHBondContact O-N 3.44Å; G38-S40 PolarHBondContact O-N 3.42Å
39	L	65.7	Low	72	Confident	108 Å²	108	112 Å²	112	57%	0.565	62%	0.615	S	S	*	*			trans	-92.6	19.2	178.5	-161.6	56.1	0	0	0	111.2	F34 S37	F34-L39 HydrophobicContact CD1-CB 4Å; F34-L39 HydrophobicContact CD1-CD2 3.87Å; F34-L39 HydrophobicContact CD1-CG 3.91Å; F34-L39 HydrophobicContact CE1-CB 4.1Å; F34-L39 HydrophobicContact CE1-CD2 3.14Å; F34-L39 HydrophobicContact CE1-CG 3.5Å; F34-L39 VanDerWaalsContact CE1-CG 3.5Å; F34-L39 HydrophobicContact CE2-CD2 4.35Å; F34-L39 HydrophobicContact CZ-CD2 3.43Å; F34-L39 VanDerWaalsContact CZ-CD2 3.43Å; F34-L39 HydrophobicContact CZ-CG 4.29Å; S37-L39 PolarHBondContact O-N 3.49Å
40	S	65.5	Low	73.2	Confident	81 Å²	81	113.5 Å²	113.5	57%	0.566	62%	0.616	S	S	*	*			trans	-67.3	141.5	169.9	-160.2	0	0	0	0	110.1	G38	G38-S40 PolarHBondContact O-N 3.42Å
41	G	63.1	Low	74.7	Confident	63 Å²	63	117.7 Å²	117.7	65%	0.649	63%	0.634	S	S	*	*	S	Bend	trans	-53.8	150.3	-162.9	0	0	0	0	0	115.9
42	S	63.2	Low	76.1	Confident	72 Å²	72	117.8 Å²	117.8	50%	0.503	64%	0.639	S	S	.	*			trans	26.5	106	173.3	60.7	0	0	0	0	116.1	Y44	S42-Y44 PolarHBondContact O-N 2.69Å
43	K	72.4	Confident	77.6	Confident	203 Å²	203	111.8 Å²	111.8	88%	0.883	61%	0.613	S	S	*	*	S	Bend	trans	-59.4	3.8	170.5	-57.8	-172.7	-168.5	-174.9	0	114.9
44	Y	81.5	Confident	79	Confident	193 Å²	193	108.6 Å²	108.6	76%	0.757	60%	0.6	S	S	*	*	S	Bend	trans	-115.5	137.9	-173.8	-55.2	-70.7	0	0	0	110.1	S42	S42-Y44 PolarHBondContact O-N 2.69Å
45	Y	84.2	Confident	80.4	Confident	177 Å²	177	105.9 Å²	105.9	69%	0.694	59%	0.586	S	S	*	*			trans	-68.4	130	168.4	-63.4	-77.9	0	0	0	108.8	L60	Y45-L60 HydrophobicContact CD1-CD1 4.11Å; Y45-L60 HydrophobicContact CD2-CD1 4.41Å; Y45-L60 HydrophobicContact CE1-CD1 4Å; Y45-L60 HydrophobicContact CE1-CD2 4.08Å; Y45-L60 HydrophobicContact CE2-CB 4.19Å; Y45-L60 HydrophobicContact CE2-CD1 4.3Å; Y45-L60 HydrophobicContact CE2-CD2 3.96Å; Y45-L60 HydrophobicContact CE2-CG 4.37Å; Y45-L60 HydrophobicContact CG-CD1 4.33Å; Y45-L60 WeakPolarHBondContact OH-CD2 3.35Å
46	R	83.1	Confident	81.8	Confident	238 Å²	238	111.5 Å²	111.5	90%	0.898	60%	0.599	S	S	*	*	S	Bend	trans	-75.9	135	177.2	-66.9	-172	177.9	-141.3	1	109.6
47	G	89	Confident	83.2	Confident	75 Å²	75	106.1 Å²	106.1	77%	0.773	57%	0.571	S	S	*	*	S	Bend	trans	122.4	175.2	178.9	0	0	0	0	0	112.6
48	G	91.8	Very high	84.6	Confident	75 Å²	75	102.3 Å²	102.3	77%	0.773	54%	0.544	S	S	*	.			trans	-92.6	-175	169	0	0	0	0	0	111.5
49	F	94.4	Very high	86.3	Confident	75 Å²	75	99.4 Å²	99.4	33%	0.329	51%	0.514	S	S	.	.			trans	-66.6	145.3	169.3	-66.2	-74.6	0	0	0	111	E57 I61 Y93 L94 K97	F49-E57 WeakPolarHBondContact CA-OE1 3.32Å; F49-E57 VanDerWaalsContact CD1-OE1 3.32Å; F49-E57 WeakPolarHBondContact CD1-OE1 3.06Å; F49-I61 HydrophobicContact CD1-CD1 3.92Å; F49-I61 HydrophobicContact CE1-CD1 3.68Å; F49-I61 HydrophobicContact CE1-CG1 4.08Å; F49-Y93 AromaticContact CD2-CE1 3.75Å; F49-Y93 HydrophobicContact CD2-CE1 3.75Å; F49-Y93 AromaticContact CE2-CE1 3.85Å; F49-Y93 HydrophobicContact CE2-CE1 3.85Å; F49-L94 HydrophobicContact CE2-CD2 3.74Å; F49-L94 HydrophobicContact CZ-CD2 3.75Å; F49-K97 HydrophobicContact CB-CD 4.23Å; F49-K97 HydrophobicContact CD1-CB 4.45Å; F49-K97 HydrophobicContact CD1-CD 3.92Å; F49-K97 HydrophobicContact CD1-CG 4.13Å; F49-K97 HydrophobicContact CD2-CD 4.3Å; F49-K97 HydrophobicContact CD2-CG 4.1Å; F49-K97 HydrophobicContact CE1-CB 4.04Å; F49-K97 HydrophobicContact CE1-CD 4.36Å; F49-K97 HydrophobicContact CE1-CG 4.11Å; F49-K97 HydrophobicContact CE2-CG 4.06Å; F49-K97 HydrophobicContact CG-CD 3.89Å; F49-K97 HydrophobicContact CG-CG 4.13Å; F49-K97 HydrophobicContact CZ-CB 4.1Å; F49-K97 HydrophobicContact CZ-CG 4.08Å
50	E	94.2	Very high	87.7	Confident	87 Å²	87	97.3 Å²	97.3	41%	0.407	50%	0.503	S	S	.	.			trans	-64.4	147.8	170.7	-56.8	176.7	167.4	0	0	109.4	N52 S54 E57 K97	E50-N52 VanDerWaalsContact C-N 3.34Å; E50-N52 WeakPolarHBondContact CB-O 3.27Å; E50-S54 WeakPolarHBondContact OE2-CB 3.14Å; E50-S54 PolarHBondContact OE2-N 2.98Å; E50-S54 PolarHBondContact OE2-OG 3.22Å; E50-E57 VanDerWaalsContact CB-OE2 3.31Å; E50-E57 WeakPolarHBondContact CB-OE2 3.43Å; E50-E57 PolarHBondContact N-OE1 2.94Å; E50-E57 PolarHBondContact N-OE2 3.47Å; E50-K97 PolarHBondContact O-NZ 3.43Å
51	Q	94.3	Very high	89.1	Confident	188 Å²	188	95.3 Å²	95.3	88%	0.879	49%	0.486	S	S	*	.	S	Bend	trans	-60.9	-48	176.5	-66.1	-179	17.3	0	0	110.2
52	N	95.2	Very high	90.7	Very high	141 Å²	141	92.6 Å²	92.6	75%	0.754	46%	0.456	S	S	*	.	S	Bend	trans	-108	115	168.5	-67.7	-58.3	0	0	0	108.1	E50 S54	E50-N52 VanDerWaalsContact C-N 3.34Å; E50-N52 WeakPolarHBondContact CB-O 3.27Å; N52-S54 PolarHBondContact O-N 3.28Å
53	M	95.9	Very high	92.3	Very high	16 Å²	16	92.3 Å²	92.3	8%	0.079	47%	0.465	C	S	.	.			trans	-67.7	118.5	-175.3	177.7	177.6	-60.5	0	0	110.9	E57 A58 I61 K97 Q100 A101 I104	M53-E57 VanDerWaalsContact CA-OE2 3.22Å; M53-E57 WeakPolarHBondContact CA-OE2 3.5Å; M53-E57 WeakPolarHBondContact CB-OE2 3.39Å; M53-E57 HydrophobicContact CG-CB 4.17Å; M53-E57 HydrophobicContact CG-CG 4.24Å; M53-E57 VanDerWaalsContact CG-OE2 3.28Å; M53-E57 WeakPolarHBondContact CG-OE2 3.33Å; M53-A58 HydrophobicContact CG-CB 4.24Å; M53-A58 HydrophobicContact SD-CB 4.01Å; M53-I61 HydrophobicContact CE-CD1 3.4Å; M53-I61 VanDerWaalsContact CE-CD1 3.4Å; M53-I61 HydrophobicContact SD-CD1 3.93Å; M53-K97 HydrophobicContact CE-CB 4.26Å; M53-K97 HydrophobicContact CE-CD 3.53Å; M53-Q100 HydrophobicContact CB-CG 4.33Å; M53-Q100 HydrophobicContact CE-CB 4.08Å; M53-Q100 HydrophobicContact CE-CG 4.06Å; M53-Q100 HydrophobicContact SD-CB 4.14Å; M53-Q100 HydrophobicContact SD-CG 3.88Å; M53-A101 WeakPolarHBondContact SD-CA 3.36Å; M53-A101 HydrophobicContact SD-CB 3.73Å; M53-A101 PolarHBondContact SD-N 2.97Å; M53-A101 VanDerWaalsContact SD-N 3.44Å; M53-I104 HydrophobicContact CB-CD1 3.55Å; M53-I104 HydrophobicContact CG-CD1 3.49Å; M53-I104 VanDerWaalsContact CG-CD1 3.49Å; M53-I104 WeakPolarHBondContact O-CD1 3.49Å; M53-I104 HydrophobicContact SD-CD1 3.7Å
54	S	96.5	Very high	93.4	Very high	39 Å²	39	83.5 Å²	83.5	27%	0.273	43%	0.428	S	S	.	.			trans	-75.3	160.2	173.6	65.2	0	0	0	0	112	E50 N52 R56 E57 A58	E50-S54 WeakPolarHBondContact OE2-CB 3.14Å; E50-S54 PolarHBondContact OE2-N 2.98Å; E50-S54 PolarHBondContact OE2-OG 3.22Å; N52-S54 PolarHBondContact O-N 3.28Å; S54-R56 PolarHBondContact O-N 3.12Å; S54-E57 PolarHBondContact O-N 3.46Å; S54-E57 PolarHBondContact OG-N 3.44Å; S54-E57 VanDerWaalsContact OG-N 3.12Å; S54-A58 WeakPolarHBondContact O-CB 3.44Å; S54-A58 PolarHBondContact O-N 2.99Å
55	R	95.7	Very high	94.1	Very high	61 Å²	61	77.2 Å²	77.2	23%	0.23	41%	0.412	C	S	.	.	H	α-helix	trans	-58.7	-31.5	171.8	-167.9	178.8	-178.1	80.5	6.4	112.1	A59 Q66 I104 L105	R55-A59 WeakPolarHBondContact O-CB 3.47Å; R55-A59 PolarHBondContact O-N 3.19Å; R55-A59 VanDerWaalsContact O-N 3.12Å; R55-Q66 PolarHBondContact NE-O 2.96Å; R55-Q66 PolarHBondContact NH2-O 3.04Å; R55-I104 HydrophobicContact CB-CG2 4.27Å; R55-I104 PolarHBondContact NH1-O 3.33Å; R55-I104 VanDerWaalsContact NH1-O 3.16Å; R55-L105 HydrophobicContact CG-CD2 3.81Å; R55-L105 PolarHBondContact NH1-O 3.4Å; R55-L105 PolarHBondContact NH2-O 3.35Å
56	R	95.7	Very high	94.6	Very high	172 Å²	172	72 Å²	72	65%	0.649	39%	0.394	S	S	*	.	H	α-helix	trans	-66.4	-51.8	175.3	-177.9	-178.8	179.7	176.8	-0.2	110.5	S54 A58 A59 L60	S54-R56 PolarHBondContact O-N 3.12Å; R56-A58 VanDerWaalsContact C-N 3.33Å; R56-A58 PolarHBondContact O-N 3.22Å; R56-A59 WeakPolarHBondContact O-CB 3.47Å; R56-A59 PolarHBondContact O-N 2.69Å; R56-L60 WeakPolarHBondContact O-CG 3.24Å; R56-L60 PolarHBondContact O-N 3.21Å
57	E	96.5	Very high	95.1	Very high	18 Å²	18	67.5 Å²	67.5	8%	0.084	38%	0.383	C	S	.	.	H	α-helix	trans	-58.3	-45.8	177.3	-176.2	-175.6	-154.5	0	0	111.2	F49 E50 M53 S54 A59 L60 I61	F49-E57 WeakPolarHBondContact CA-OE1 3.32Å; F49-E57 VanDerWaalsContact CD1-OE1 3.32Å; F49-E57 WeakPolarHBondContact CD1-OE1 3.06Å; E50-E57 VanDerWaalsContact CB-OE2 3.31Å; E50-E57 WeakPolarHBondContact CB-OE2 3.43Å; E50-E57 PolarHBondContact N-OE1 2.94Å; E50-E57 PolarHBondContact N-OE2 3.47Å; M53-E57 VanDerWaalsContact CA-OE2 3.22Å; M53-E57 WeakPolarHBondContact CA-OE2 3.5Å; M53-E57 WeakPolarHBondContact CB-OE2 3.39Å; M53-E57 HydrophobicContact CG-CB 4.17Å; M53-E57 HydrophobicContact CG-CG 4.24Å; M53-E57 VanDerWaalsContact CG-OE2 3.28Å; M53-E57 WeakPolarHBondContact CG-OE2 3.33Å; S54-E57 PolarHBondContact O-N 3.46Å; S54-E57 PolarHBondContact OG-N 3.44Å; S54-E57 VanDerWaalsContact OG-N 3.12Å; E57-A59 VanDerWaalsContact C-N 3.28Å; E57-A59 PolarHBondContact O-N 3.03Å; E57-L60 WeakPolarHBondContact O-CA 3.43Å; E57-L60 WeakPolarHBondContact O-CB 3.18Å; E57-L60 PolarHBondContact O-N 3.22Å; E57-I61 HydrophobicContact CG-CD1 3.84Å; E57-I61 HydrophobicContact CG-CG1 4.28Å; E57-I61 WeakPolarHBondContact O-CG1 3.46Å; E57-I61 PolarHBondContact O-N 3.16Å
58	A	97.2	Very high	95.4	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-56.1	-42.5	177.2	0	0	0	0	0	112.8	M53 S54 R56 I61 L62 A101 I104 L105	M53-A58 HydrophobicContact CG-CB 4.24Å; M53-A58 HydrophobicContact SD-CB 4.01Å; S54-A58 WeakPolarHBondContact O-CB 3.44Å; S54-A58 PolarHBondContact O-N 2.99Å; R56-A58 VanDerWaalsContact C-N 3.33Å; R56-A58 PolarHBondContact O-N 3.22Å; A58-I61 PolarHBondContact O-N 3.12Å; A58-L62 PolarHBondContact O-N 3.29Å; A58-L62 VanDerWaalsContact O-N 3.12Å; A58-A101 HydrophobicContact CB-CB 3.85Å; A58-I104 HydrophobicContact CB-CB 4.2Å; A58-I104 HydrophobicContact CB-CG2 4.04Å; A58-L105 HydrophobicContact CB-CD1 4.09Å; A58-L105 HydrophobicContact CB-CD2 4.37Å; A58-L105 HydrophobicContact CB-CG 3.85Å
59	A	96.9	Very high	95.6	Very high	5 Å²	5	64.1 Å²	64.1	4%	0.041	34%	0.336	C	S	.	.	H	α-helix	trans	-65	-39	175.8	0	0	0	0	0	112.4	R55 R56 E57 G63 V64 Q66 L105	R55-A59 WeakPolarHBondContact O-CB 3.47Å; R55-A59 PolarHBondContact O-N 3.19Å; R55-A59 VanDerWaalsContact O-N 3.12Å; R56-A59 WeakPolarHBondContact O-CB 3.47Å; R56-A59 PolarHBondContact O-N 2.69Å; E57-A59 VanDerWaalsContact C-N 3.28Å; E57-A59 PolarHBondContact O-N 3.03Å; A59-G63 PolarHBondContact O-N 3.48Å; A59-V64 CarbonylContact C-O 3.54Å; A59-V64 WeakPolarHBondContact CB-O 3.48Å; A59-V64 PolarHBondContact O-N 3.13Å; A59-V64 VanDerWaalsContact O-O 3.08Å; A59-Q66 HydrophobicContact CB-CB 4.39Å; A59-Q66 HydrophobicContact CB-CG 3.55Å; A59-L105 HydrophobicContact CB-CD2 4.27Å
60	L	95.6	Very high	95.6	Very high	65 Å²	65	63.4 Å²	63.4	34%	0.34	33%	0.332	S	S	.	.	H	α-helix	trans	-67.1	-43	175.5	-65.1	-178	0	0	0	112.2	Y45 R56 E57 L62 G63	Y45-L60 HydrophobicContact CD1-CD1 4.11Å; Y45-L60 HydrophobicContact CD2-CD1 4.41Å; Y45-L60 HydrophobicContact CE1-CD1 4Å; Y45-L60 HydrophobicContact CE1-CD2 4.08Å; Y45-L60 HydrophobicContact CE2-CB 4.19Å; Y45-L60 HydrophobicContact CE2-CD1 4.3Å; Y45-L60 HydrophobicContact CE2-CD2 3.96Å; Y45-L60 HydrophobicContact CE2-CG 4.37Å; Y45-L60 HydrophobicContact CG-CD1 4.33Å; Y45-L60 WeakPolarHBondContact OH-CD2 3.35Å; R56-L60 WeakPolarHBondContact O-CG 3.24Å; R56-L60 PolarHBondContact O-N 3.21Å; E57-L60 WeakPolarHBondContact O-CA 3.43Å; E57-L60 WeakPolarHBondContact O-CB 3.18Å; E57-L60 PolarHBondContact O-N 3.22Å; L60-L62 VanDerWaalsContact C-N 3.34Å; L60-L62 PolarHBondContact O-N 3.05Å; L60-G63 PolarHBondContact O-N 2.91Å
61	I	96.1	Very high	95.7	Very high	39 Å²	39	64.4 Å²	64.4	20%	0.2	34%	0.341	C	S	.	.	H	α-helix	trans	-59.9	-44.9	177.5	-69.2	168.4	0	0	0	110.7	F49 M53 E57 A58 G63 I98 A101	F49-I61 HydrophobicContact CD1-CD1 3.92Å; F49-I61 HydrophobicContact CE1-CD1 3.68Å; F49-I61 HydrophobicContact CE1-CG1 4.08Å; M53-I61 HydrophobicContact CE-CD1 3.4Å; M53-I61 VanDerWaalsContact CE-CD1 3.4Å; M53-I61 HydrophobicContact SD-CD1 3.93Å; E57-I61 HydrophobicContact CG-CD1 3.84Å; E57-I61 HydrophobicContact CG-CG1 4.28Å; E57-I61 WeakPolarHBondContact O-CG1 3.46Å; E57-I61 PolarHBondContact O-N 3.16Å; A58-I61 PolarHBondContact O-N 3.12Å; I61-G63 VanDerWaalsContact C-N 3.32Å; I61-I98 HydrophobicContact CG2-CG1 4.15Å; I61-A101 HydrophobicContact CB-CB 4.1Å; I61-A101 HydrophobicContact CD1-CB 4.3Å; I61-A101 HydrophobicContact CG2-CB 4Å
62	L	96.6	Very high	95.8	Very high	5 Å²	5	60.9 Å²	60.9	3%	0.026	32%	0.322	C	S	.	.	H	α-helix	trans	-82	-7.2	179.4	-66.9	-170	0	0	0	114.1	A58 L60 V64 I73 H77 I80 I98 A101 K102 L105	A58-L62 PolarHBondContact O-N 3.29Å; A58-L62 VanDerWaalsContact O-N 3.12Å; L60-L62 VanDerWaalsContact C-N 3.34Å; L60-L62 PolarHBondContact O-N 3.05Å; L62-V64 VanDerWaalsContact C-N 3.29Å; L62-V64 HydrophobicContact CB-CG1 4.49Å; L62-V64 HydrophobicContact CB-CG2 3.9Å; L62-V64 PolarHBondContact O-N 3.49Å; L62-I73 HydrophobicContact CD1-CG2 3.88Å; L62-H77 HydrophobicContact CD1-CB 4.49Å; L62-H77 HydrophobicContact CD2-CB 4.27Å; L62-I80 HydrophobicContact CD2-CD1 4.32Å; L62-I80 WeakPolarHBondContact O-CD1 3.46Å; L62-I98 HydrophobicContact CD2-CG2 4.07Å; L62-A101 HydrophobicContact CD2-CB 4.49Å; L62-A101 HydrophobicContact CG-CB 4.1Å; L62-K102 HydrophobicContact CD1-CB 4.33Å; L62-L105 HydrophobicContact CD1-CD1 3.72Å; L62-L105 HydrophobicContact CG-CD1 4.36Å
63	G	95.1	Very high	96	Very high	67 Å²	67	54.1 Å²	54.1	69%	0.691	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	33.5	-176.6	0	0	0	0	0	113.4	A59 L60 I61	A59-G63 PolarHBondContact O-N 3.48Å; L60-G63 PolarHBondContact O-N 2.91Å; I61-G63 VanDerWaalsContact C-N 3.32Å
64	V	96.9	Very high	96	Very high	18 Å²	18	57.8 Å²	57.8	11%	0.109	30%	0.299	C	S	.	.	S	Bend	trans	-123.4	161.4	-178.9	-61.8	0	0	0	0	111.1	A59 L62 K72 I73 A76 L105	A59-V64 CarbonylContact C-O 3.54Å; A59-V64 WeakPolarHBondContact CB-O 3.48Å; A59-V64 PolarHBondContact O-N 3.13Å; A59-V64 VanDerWaalsContact O-O 3.08Å; L62-V64 VanDerWaalsContact C-N 3.29Å; L62-V64 HydrophobicContact CB-CG1 4.49Å; L62-V64 HydrophobicContact CB-CG2 3.9Å; L62-V64 PolarHBondContact O-N 3.49Å; V64-K72 HydrophobicContact CG1-CG 4.4Å; V64-I73 HydrophobicContact CG2-CG1 4.43Å; V64-A76 HydrophobicContact CG1-CB 3.53Å; V64-L105 HydrophobicContact CG2-CD1 4.03Å
65	S	96.1	Very high	96.1	Very high	60 Å²	60	59.8 Å²	59.8	42%	0.42	31%	0.307	S	S	.	.			trans	-70.6	147	168.9	164.7	0	0	0	0	110.4	Q67 S68	S65-Q67 PolarHBondContact O-N 3.16Å; S65-Q67 VanDerWaalsContact O-N 3.1Å; S65-Q67 PolarHBondContact OG-N 2.9Å; S65-Q67 PolarHBondContact OG-OE1 3.22Å; S65-S68 WeakPolarHBondContact CA-OG 3.22Å; S65-S68 WeakPolarHBondContact CB-OG 3.46Å; S65-S68 PolarHBondContact N-OG 3.31Å; S65-S68 WeakPolarHBondContact O-CB 3.28Å; S65-S68 PolarHBondContact O-N 2.98Å; S65-S68 PolarHBondContact O-OG 2.93Å
66	Q	94.8	Very high	96.2	Very high	68 Å²	68	57.6 Å²	57.6	32%	0.318	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-24.7	175.9	-64.8	-177.7	44.7	0	0	113	R55 A59	R55-Q66 PolarHBondContact NE-O 2.96Å; R55-Q66 PolarHBondContact NH2-O 3.04Å; A59-Q66 HydrophobicContact CB-CB 4.39Å; A59-Q66 HydrophobicContact CB-CG 3.55Å
67	Q	93.7	Very high	96.3	Very high	143 Å²	143	50.6 Å²	50.6	67%	0.668	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-5.1	179	-65.3	74.7	22.5	0	0	113.3	S65 K109	S65-Q67 PolarHBondContact O-N 3.16Å; S65-Q67 VanDerWaalsContact O-N 3.1Å; S65-Q67 PolarHBondContact OG-N 2.9Å; S65-Q67 PolarHBondContact OG-OE1 3.22Å; Q67-K109 PolarHBondContact O-NZ 2.98Å
68	S	95	Very high	96.4	Very high	12 Å²	12	55.8 Å²	55.8	8%	0.084	30%	0.299	C	S	.	.			trans	-51.7	140.7	-175.4	-61.2	0	0	0	0	113.3	S65 I73 K109	S65-S68 WeakPolarHBondContact CA-OG 3.22Å; S65-S68 WeakPolarHBondContact CB-OG 3.46Å; S65-S68 PolarHBondContact N-OG 3.31Å; S65-S68 WeakPolarHBondContact O-CB 3.28Å; S65-S68 PolarHBondContact O-N 2.98Å; S65-S68 PolarHBondContact O-OG 2.93Å; S68-I73 VanDerWaalsContact O-CD1 3.3Å; S68-I73 WeakPolarHBondContact O-CD1 3.42Å; S68-K109 WeakPolarHBondContact O-CE 3.31Å; S68-K109 PolarHBondContact O-NZ 3.15Å
69	S	95.2	Very high	96.5	Very high	67 Å²	67	62.9 Å²	62.9	47%	0.469	33%	0.329	S	S	.	.			trans	-56.8	156.3	178.6	65	0	0	0	0	113	N71 K72 I73	S69-N71 VanDerWaalsContact C-N 3.27Å; S69-N71 PolarHBondContact O-N 3.42Å; S69-K72 PolarHBondContact O-N 3.12Å; S69-K72 VanDerWaalsContact O-N 3.1Å; S69-K72 PolarHBondContact OG-N 2.97Å; S69-I73 WeakPolarHBondContact O-CG1 3.4Å; S69-I73 PolarHBondContact O-N 3Å
70	K	95.1	Very high	96.5	Very high	60 Å²	60	64.6 Å²	64.6	26%	0.261	34%	0.337	S	S	.	.	H	α-helix	trans	-56.7	-41	-179.6	-159.4	175.9	-154.5	164.8	0	112	I73 R74 E106 K109	K70-I73 PolarHBondContact O-N 3.18Å; K70-R74 WeakPolarHBondContact O-CG 3.06Å; K70-R74 PolarHBondContact O-N 2.89Å; K70-E106 WeakPolarHBondContact CE-OE2 3.48Å; K70-E106 HydrophobicContact CG-CG 4.21Å; K70-K109 PolarHBondContact NZ-O 3.28Å
71	N	96.1	Very high	96.6	Very high	108 Å²	108	62.6 Å²	62.6	58%	0.578	33%	0.327	S	S	*	.	H	α-helix	trans	-61.7	-46	176.6	-64.1	-11.3	0	0	0	111.5	S69 I73 R74 D75	S69-N71 VanDerWaalsContact C-N 3.27Å; S69-N71 PolarHBondContact O-N 3.42Å; N71-I73 VanDerWaalsContact C-N 3.32Å; N71-I73 PolarHBondContact O-N 2.85Å; N71-R74 PolarHBondContact O-N 3.45Å; N71-D75 VanDerWaalsContact O-CG 3.23Å; N71-D75 PolarHBondContact O-N 2.95Å
72	K	96.9	Very high	96.7	Very high	114 Å²	114	65.4 Å²	65.4	50%	0.496	34%	0.341	S	S	.	.	H	α-helix	trans	-62.4	-38.8	177.5	-175.3	171.5	-179.5	176.6	0	112.4	V64 S69 A76	V64-K72 HydrophobicContact CG1-CG 4.4Å; S69-K72 PolarHBondContact O-N 3.12Å; S69-K72 VanDerWaalsContact O-N 3.1Å; S69-K72 PolarHBondContact OG-N 2.97Å; K72-A76 WeakPolarHBondContact O-CB 3.37Å; K72-A76 PolarHBondContact O-N 3.05Å
73	I	97.7	Very high	96.6	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-61.7	-46.7	175.2	-68.3	159.7	0	0	0	110.4	L62 V64 S68 S69 K70 N71 A76 H77 K102 L105 E106 K109	L62-I73 HydrophobicContact CD1-CG2 3.88Å; V64-I73 HydrophobicContact CG2-CG1 4.43Å; S68-I73 VanDerWaalsContact O-CD1 3.3Å; S68-I73 WeakPolarHBondContact O-CD1 3.42Å; S69-I73 WeakPolarHBondContact O-CG1 3.4Å; S69-I73 PolarHBondContact O-N 3Å; K70-I73 PolarHBondContact O-N 3.18Å; N71-I73 VanDerWaalsContact C-N 3.32Å; N71-I73 PolarHBondContact O-N 2.85Å; I73-A76 PolarHBondContact O-N 3.26Å; I73-H77 VanDerWaalsContact O-CB 3.32Å; I73-H77 WeakPolarHBondContact O-CB 3.41Å; I73-H77 PolarHBondContact O-N 3.12Å; I73-K102 HydrophobicContact CG2-CG 4.32Å; I73-L105 HydrophobicContact CD1-CB 3.87Å; I73-L105 HydrophobicContact CG1-CB 4.35Å; I73-L105 HydrophobicContact CG2-CB 4.13Å; I73-E106 HydrophobicContact CG2-CG 4.24Å; I73-K109 HydrophobicContact CD1-CD 3.71Å
74	R	97.3	Very high	96.7	Very high	93 Å²	93	71 Å²	71	35%	0.351	35%	0.354	S	S	.	.	H	α-helix	trans	-64.9	-41.1	179.1	-72.1	170.5	177.8	167.7	-10.5	112.7	K70 N71 H77 K78 E106	K70-R74 WeakPolarHBondContact O-CG 3.06Å; K70-R74 PolarHBondContact O-N 2.89Å; N71-R74 PolarHBondContact O-N 3.45Å; R74-H77 PolarHBondContact O-N 2.8Å; R74-K78 WeakPolarHBondContact O-CB 3.22Å; R74-K78 VanDerWaalsContact O-CG 3.27Å; R74-K78 WeakPolarHBondContact O-CG 3.42Å; R74-K78 PolarHBondContact O-N 3.04Å; R74-E106 WeakPolarHBondContact CG-OE1 3.41Å; R74-E106 IonicContact CZ-OE1 3.67Å; R74-E106 IonicContact CZ-OE2 3.51Å; R74-E106 IonicContact NE-OE1 2.81Å; R74-E106 PolarHBondContact NE-OE1 3.03Å; R74-E106 IonicContact NE-OE2 3.42Å; R74-E106 PolarHBondContact NE-OE2 3.04Å; R74-E106 IonicContact NH2-OE1 3.72Å; R74-E106 IonicContact NH2-OE2 2.82Å; R74-E106 PolarHBondContact NH2-OE2 2.89Å
75	D	98.1	Very high	96.8	Very high	80 Å²	80	73 Å²	73	43%	0.428	36%	0.363	S	S	.	.	H	α-helix	trans	-66.9	-40.7	178.1	-66.5	-21.9	0	0	0	111.4	N71 K79	N71-D75 VanDerWaalsContact O-CG 3.23Å; N71-D75 PolarHBondContact O-N 2.95Å; D75-K79 VanDerWaalsContact O-CG 3.24Å; D75-K79 WeakPolarHBondContact O-CG 3.45Å; D75-K79 PolarHBondContact O-N 3.07Å; D75-K79 VanDerWaalsContact O-N 3.1Å
76	A	98	Very high	96.8	Very high	15 Å²	15	72.3 Å²	72.3	12%	0.124	36%	0.357	C	S	.	.	H	α-helix	trans	-64.4	-45.4	173.7	0	0	0	0	0	111.9	V64 K72 I73 K78 K79 I80	V64-A76 HydrophobicContact CG1-CB 3.53Å; K72-A76 WeakPolarHBondContact O-CB 3.37Å; K72-A76 PolarHBondContact O-N 3.05Å; I73-A76 PolarHBondContact O-N 3.26Å; A76-K78 PolarHBondContact O-N 2.94Å; A76-K79 PolarHBondContact O-N 2.94Å; A76-I80 WeakPolarHBondContact O-CG1 3.44Å; A76-I80 PolarHBondContact O-N 3.13Å
77	H	98.3	Very high	96.9	Very high	26 Å²	26	75.9 Å²	75.9	12%	0.12	38%	0.378	C	S	.	.	H	α-helix	trans	-57.3	-49.6	175.7	171.1	-97.6	0	0	0	111.6	L62 I73 R74 K79 I80 M81 N99 K102	L62-H77 HydrophobicContact CD1-CB 4.49Å; L62-H77 HydrophobicContact CD2-CB 4.27Å; I73-H77 VanDerWaalsContact O-CB 3.32Å; I73-H77 WeakPolarHBondContact O-CB 3.41Å; I73-H77 PolarHBondContact O-N 3.12Å; R74-H77 PolarHBondContact O-N 2.8Å; H77-K79 PolarHBondContact O-N 3.47Å; H77-I80 PolarHBondContact O-N 2.83Å; H77-M81 WeakPolarHBondContact O-CB 3.33Å; H77-M81 PolarHBondContact O-N 3.37Å; H77-N99 PolarHBondContact NE2-OD1 3.44Å; H77-K102 HydrophobicContact CB-CB 4.23Å; H77-K102 HydrophobicContact CB-CD 4.44Å; H77-K102 HydrophobicContact CB-CG 3.99Å
78	K	98.3	Very high	97	Very high	126 Å²	126	76 Å²	76	55%	0.548	38%	0.376	S	S	.	.	H	α-helix	trans	-56.8	-48.6	176.8	-73.9	172.5	-176.4	178.1	0	111.9	R74 A76 I80 M81 I82	R74-K78 WeakPolarHBondContact O-CB 3.22Å; R74-K78 VanDerWaalsContact O-CG 3.27Å; R74-K78 WeakPolarHBondContact O-CG 3.42Å; R74-K78 PolarHBondContact O-N 3.04Å; A76-K78 PolarHBondContact O-N 2.94Å; K78-I80 PolarHBondContact O-N 3.39Å; K78-M81 PolarHBondContact O-N 3.03Å; K78-I82 WeakPolarHBondContact O-CD1 3.44Å; K78-I82 WeakPolarHBondContact O-CG1 3.48Å; K78-I82 PolarHBondContact O-N 3.38Å
79	K	98.1	Very high	97.1	Very high	149 Å²	149	79.1 Å²	79.1	65%	0.648	41%	0.41	S	S	*	.	H	α-helix	trans	-59.5	-48	-179.9	-73.6	170.5	-176.5	-179.6	0	111.9	D75 A76 H77	D75-K79 VanDerWaalsContact O-CG 3.24Å; D75-K79 WeakPolarHBondContact O-CG 3.45Å; D75-K79 PolarHBondContact O-N 3.07Å; D75-K79 VanDerWaalsContact O-N 3.1Å; A76-K79 PolarHBondContact O-N 2.94Å; H77-K79 PolarHBondContact O-N 3.47Å
80	I	97.3	Very high	97.1	Very high	41 Å²	41	76.8 Å²	76.8	21%	0.21	40%	0.397	C	S	.	.	H	α-helix	trans	-72.9	-37.8	-176.9	-68.8	169.4	0	0	0	111.2	L62 A76 H77 K78 L83 N84 I98	L62-I80 HydrophobicContact CD2-CD1 4.32Å; L62-I80 WeakPolarHBondContact O-CD1 3.46Å; A76-I80 WeakPolarHBondContact O-CG1 3.44Å; A76-I80 PolarHBondContact O-N 3.13Å; H77-I80 PolarHBondContact O-N 2.83Å; K78-I80 PolarHBondContact O-N 3.39Å; I80-L83 PolarHBondContact O-N 3Å; I80-N84 PolarHBondContact O-N 3.21Å; I80-N84 VanDerWaalsContact O-N 3.12Å; I80-N84 PolarHBondContact O-ND2 3.41Å; I80-I98 HydrophobicContact CG2-CD1 3.67Å; I80-I98 HydrophobicContact CG2-CG1 3.94Å; I80-I98 HydrophobicContact CG2-CG2 4.19Å
81	M	98.1	Very high	97.2	Very high	23 Å²	23	76.2 Å²	76.2	11%	0.113	40%	0.4	C	S	.	.	H	α-helix	trans	-64.1	-41.4	177.8	-176.6	58.2	71	0	0	111.8	H77 K78 L83 N84 H85 A95 I98 N99	H77-M81 WeakPolarHBondContact O-CB 3.33Å; H77-M81 PolarHBondContact O-N 3.37Å; K78-M81 PolarHBondContact O-N 3.03Å; M81-L83 PolarHBondContact O-N 2.96Å; M81-N84 CarbonylContact O-C 3.51Å; M81-N84 PolarHBondContact O-N 3.02Å; M81-N84 VanDerWaalsContact O-N 3.13Å; M81-H85 WeakPolarHBondContact O-CA 3.29Å; M81-H85 WeakPolarHBondContact O-CB 3.35Å; M81-H85 PolarHBondContact O-N 3.28Å; M81-A95 HydrophobicContact CE-CB 4.32Å; M81-A95 HydrophobicContact SD-CB 4.02Å; M81-I98 HydrophobicContact CE-CB 4.05Å; M81-I98 HydrophobicContact CE-CG2 3.8Å; M81-N99 WeakPolarHBondContact CE-OD1 3.47Å
82	I	97.4	Very high	97.3	Very high	98 Å²	98	75.5 Å²	75.5	50%	0.503	40%	0.401	S	S	.	.	H	α-helix	trans	-57.7	-35.4	177.2	-73.9	165.5	0	0	0	111.7	K78 K88	K78-I82 WeakPolarHBondContact O-CD1 3.44Å; K78-I82 WeakPolarHBondContact O-CG1 3.48Å; K78-I82 PolarHBondContact O-N 3.38Å; I82-K88 WeakPolarHBondContact O-CD 3.38Å
83	L	96	Very high	97.3	Very high	139 Å²	139	76.2 Å²	76.2	73%	0.728	40%	0.402	S	S	*	.	H	α-helix	trans	-80.3	-26.8	179.8	-63.2	172.8	0	0	0	113.3	I80 M81	I80-L83 PolarHBondContact O-N 3Å; M81-L83 PolarHBondContact O-N 2.96Å
84	N	97.1	Very high	97.2	Very high	50 Å²	50	79.1 Å²	79.1	27%	0.267	42%	0.417	S	S	.	.	H	α-helix	trans	-111.3	14.5	-175	-69	-88.1	0	0	0	112.9	I80 M81 G90 I98	I80-N84 PolarHBondContact O-N 3.21Å; I80-N84 VanDerWaalsContact O-N 3.12Å; I80-N84 PolarHBondContact O-ND2 3.41Å; M81-N84 CarbonylContact O-C 3.51Å; M81-N84 PolarHBondContact O-N 3.02Å; M81-N84 VanDerWaalsContact O-N 3.13Å; N84-G90 WeakPolarHBondContact O-CA 3.43Å; N84-I98 HydrophobicContact CB-CD1 3.54Å
85	H	97.4	Very high	97.3	Very high	62 Å²	62	75 Å²	75	29%	0.287	40%	0.403	S	S	.	.			trans	-66.8	136.5	-175.2	-163.1	-84.5	0	0	0	111.3	M81 D87 K88 G90	M81-H85 WeakPolarHBondContact O-CA 3.29Å; M81-H85 WeakPolarHBondContact O-CB 3.35Å; M81-H85 PolarHBondContact O-N 3.28Å; H85-D87 VanDerWaalsContact C-N 3.32Å; H85-D87 VanDerWaalsContact CE1-CG 3.42Å; H85-D87 IonicContact CE1-OD1 3.8Å; H85-D87 IonicContact CE1-OD2 3.22Å; H85-D87 PolarHBondContact CE1-OD2 3.46Å; H85-D87 WeakPolarHBondContact ND1-CB 3.44Å; H85-D87 PolarHBondContact ND1-N 3.11Å; H85-D87 VanDerWaalsContact ND1-N 3.16Å; H85-D87 IonicContact ND1-OD1 3.94Å; H85-D87 IonicContact ND1-OD2 3.69Å; H85-D87 PolarHBondContact O-N 2.85Å; H85-K88 HydrophobicContact CB-CB 4.31Å; H85-K88 HydrophobicContact CB-CD 4.31Å; H85-K88 HydrophobicContact CB-CG 4.28Å; H85-K88 PolarHBondContact O-N 3.36Å; H85-G90 WeakPolarHBondContact O-CA 3.26Å; H85-G90 PolarHBondContact O-N 3.42Å
86	P	97.6	Very high	97.3	Very high	45 Å²	45	73.8 Å²	73.8	29%	0.292	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-53.1	-45.7	179.1	-29.1	37.3	0	0	0	113.7	K88 G89 G90 P92 A95	P86-K88 PolarHBondContact O-N 3.11Å; P86-K88 VanDerWaalsContact O-N 3.07Å; P86-G89 PolarHBondContact O-N 2.95Å; P86-G90 WeakPolarHBondContact CA-O 3.49Å; P86-P92 HydrophobicContact CB-CG 4.24Å; P86-P92 HydrophobicContact CG-CB 4.48Å; P86-P92 HydrophobicContact CG-CG 4.34Å; P86-A95 HydrophobicContact CG-CB 4.09Å
87	D	97.2	Very high	97.3	Very high	143 Å²	143	74 Å²	74	77%	0.765	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-66.7	-11.1	179.6	-52.1	-5.3	0	0	0	114.2	H85	H85-D87 VanDerWaalsContact C-N 3.32Å; H85-D87 VanDerWaalsContact CE1-CG 3.42Å; H85-D87 IonicContact CE1-OD1 3.8Å; H85-D87 IonicContact CE1-OD2 3.22Å; H85-D87 PolarHBondContact CE1-OD2 3.46Å; H85-D87 WeakPolarHBondContact ND1-CB 3.44Å; H85-D87 PolarHBondContact ND1-N 3.11Å; H85-D87 VanDerWaalsContact ND1-N 3.16Å; H85-D87 IonicContact ND1-OD1 3.94Å; H85-D87 IonicContact ND1-OD2 3.69Å; H85-D87 PolarHBondContact O-N 2.85Å
88	K	95.8	Very high	97.3	Very high	145 Å²	145	73.2 Å²	73.2	63%	0.63	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-107.7	18.4	176.9	-63.2	-177.5	177.4	-176.7	0	112.3	I82 H85 P86	I82-K88 WeakPolarHBondContact O-CD 3.38Å; H85-K88 HydrophobicContact CB-CB 4.31Å; H85-K88 HydrophobicContact CB-CD 4.31Å; H85-K88 HydrophobicContact CB-CG 4.28Å; H85-K88 PolarHBondContact O-N 3.36Å; P86-K88 PolarHBondContact O-N 3.11Å; P86-K88 VanDerWaalsContact O-N 3.07Å
89	G	95.1	Very high	97.2	Very high	77 Å²	77	70 Å²	70	79%	0.794	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.3	11.1	-177.4	0	0	0	0	0	114.2	P86	P86-G89 PolarHBondContact O-N 2.95Å
90	G	96.2	Very high	97.2	Very high	18 Å²	18	66.3 Å²	66.3	19%	0.186	37%	0.373	C	S	.	.			trans	-75	165.5	171.2	0	0	0	0	0	112.7	N84 H85 P86	N84-G90 WeakPolarHBondContact O-CA 3.43Å; H85-G90 WeakPolarHBondContact O-CA 3.26Å; H85-G90 PolarHBondContact O-N 3.42Å; P86-G90 WeakPolarHBondContact CA-O 3.49Å
91	S	97.3	Very high	97.3	Very high	48 Å²	48	64.3 Å²	64.3	34%	0.336	36%	0.363	S	S	.	.			trans	-86.6	129.8	175.9	175.3	0	0	0	0	110.7	Y93 L94 A95	S91-Y93 PolarHBondContact O-N 3.02Å; S91-Y93 VanDerWaalsContact O-N 3.16Å; S91-Y93 PolarHBondContact OG-N 3.34Å; S91-L94 PolarHBondContact O-N 3.38Å; S91-A95 PolarHBondContact O-N 3.23Å
92	P	97.8	Very high	97.2	Very high	93 Å²	93	65.3 Å²	65.3	60%	0.604	37%	0.366	S	S	*	.	H	α-helix	trans	-52.1	-35.1	170.1	-26.9	34.2	0	0	0	112.9	P86 A96	P86-P92 HydrophobicContact CB-CG 4.24Å; P86-P92 HydrophobicContact CG-CB 4.48Å; P86-P92 HydrophobicContact CG-CG 4.34Å; P92-A96 WeakPolarHBondContact O-CB 3.32Å; P92-A96 PolarHBondContact O-N 3.4Å
93	Y	97.2	Very high	97.2	Very high	129 Å²	129	64.7 Å²	64.7	51%	0.506	36%	0.364	S	S	.	.	H	α-helix	trans	-67.1	-43.8	177	177.2	-106.9	0	0	0	112.5	F49 S91 A96 K97	F49-Y93 AromaticContact CD2-CE1 3.75Å; F49-Y93 HydrophobicContact CD2-CE1 3.75Å; F49-Y93 AromaticContact CE2-CE1 3.85Å; F49-Y93 HydrophobicContact CE2-CE1 3.85Å; S91-Y93 PolarHBondContact O-N 3.02Å; S91-Y93 VanDerWaalsContact O-N 3.16Å; S91-Y93 PolarHBondContact OG-N 3.34Å; Y93-A96 WeakPolarHBondContact O-CB 3.13Å; Y93-A96 PolarHBondContact O-N 3.28Å; Y93-K97 HydrophobicContact CE1-CG 4.34Å; Y93-K97 HydrophobicContact CE2-CG 4.45Å; Y93-K97 PolarHBondContact O-N 3.28Å; Y93-K97 VanDerWaalsContact OH-CE 3.26Å; Y93-K97 WeakPolarHBondContact OH-CE 3.38Å
94	L	96.5	Very high	97.2	Very high	61 Å²	61	60.1 Å²	60.1	32%	0.319	34%	0.34	S	S	.	.	H	α-helix	trans	-66.4	-41.9	176.4	-67.4	178.4	0	0	0	111.4	F49 S91 A96 K97 I98	F49-L94 HydrophobicContact CE2-CD2 3.74Å; F49-L94 HydrophobicContact CZ-CD2 3.75Å; S91-L94 PolarHBondContact O-N 3.38Å; L94-A96 VanDerWaalsContact C-N 3.31Å; L94-A96 PolarHBondContact O-N 3.47Å; L94-K97 PolarHBondContact O-N 3.24Å; L94-K97 VanDerWaalsContact O-N 3.16Å; L94-I98 WeakPolarHBondContact O-CD1 3.43Å; L94-I98 VanDerWaalsContact O-CG1 3.29Å; L94-I98 WeakPolarHBondContact O-CG1 3.24Å; L94-I98 PolarHBondContact O-N 3.34Å
95	A	98.3	Very high	97.2	Very high	7 Å²	7	57.7 Å²	57.7	6%	0.058	33%	0.327	C	S	.	.	H	α-helix	trans	-59.2	-42.8	174.7	0	0	0	0	0	111.4	M81 P86 S91 K97 I98 N99	M81-A95 HydrophobicContact CE-CB 4.32Å; M81-A95 HydrophobicContact SD-CB 4.02Å; P86-A95 HydrophobicContact CG-CB 4.09Å; S91-A95 PolarHBondContact O-N 3.23Å; A95-K97 PolarHBondContact O-N 3.43Å; A95-I98 PolarHBondContact O-N 3.16Å; A95-N99 PolarHBondContact O-N 3.32Å; A95-N99 PolarHBondContact O-ND2 3.04Å
96	A	97.8	Very high	97.1	Very high	55 Å²	55	56.3 Å²	56.3	46%	0.455	32%	0.321	S	S	.	.	H	α-helix	trans	-60.4	-43.7	173.7	0	0	0	0	0	112.2	P92 Y93 L94 I98 N99 Q100	P92-A96 WeakPolarHBondContact O-CB 3.32Å; P92-A96 PolarHBondContact O-N 3.4Å; Y93-A96 WeakPolarHBondContact O-CB 3.13Å; Y93-A96 PolarHBondContact O-N 3.28Å; L94-A96 VanDerWaalsContact C-N 3.31Å; L94-A96 PolarHBondContact O-N 3.47Å; A96-I98 PolarHBondContact O-N 3.36Å; A96-N99 PolarHBondContact O-N 3.44Å; A96-Q100 WeakPolarHBondContact O-CB 3.37Å; A96-Q100 PolarHBondContact O-N 3.46Å
97	K	97.9	Very high	96.6	Very high	20 Å²	20	58.5 Å²	58.5	9%	0.087	34%	0.337	C	S	.	.	H	α-helix	trans	-63.5	-39.1	175.4	-73.6	-71	180	-177	0	112.8	F49 E50 M53 Y93 L94 A95 Q100 A101	F49-K97 HydrophobicContact CB-CD 4.23Å; F49-K97 HydrophobicContact CD1-CB 4.45Å; F49-K97 HydrophobicContact CD1-CD 3.92Å; F49-K97 HydrophobicContact CD1-CG 4.13Å; F49-K97 HydrophobicContact CD2-CD 4.3Å; F49-K97 HydrophobicContact CD2-CG 4.1Å; F49-K97 HydrophobicContact CE1-CB 4.04Å; F49-K97 HydrophobicContact CE1-CD 4.36Å; F49-K97 HydrophobicContact CE1-CG 4.11Å; F49-K97 HydrophobicContact CE2-CG 4.06Å; F49-K97 HydrophobicContact CG-CD 3.89Å; F49-K97 HydrophobicContact CG-CG 4.13Å; F49-K97 HydrophobicContact CZ-CB 4.1Å; F49-K97 HydrophobicContact CZ-CG 4.08Å; E50-K97 PolarHBondContact O-NZ 3.43Å; M53-K97 HydrophobicContact CE-CB 4.26Å; M53-K97 HydrophobicContact CE-CD 3.53Å; Y93-K97 HydrophobicContact CE1-CG 4.34Å; Y93-K97 HydrophobicContact CE2-CG 4.45Å; Y93-K97 PolarHBondContact O-N 3.28Å; Y93-K97 VanDerWaalsContact OH-CE 3.26Å; Y93-K97 WeakPolarHBondContact OH-CE 3.38Å; L94-K97 PolarHBondContact O-N 3.24Å; L94-K97 VanDerWaalsContact O-N 3.16Å; A95-K97 PolarHBondContact O-N 3.43Å; K97-Q100 PolarHBondContact O-N 3.49Å; K97-A101 WeakPolarHBondContact O-CB 3.43Å; K97-A101 PolarHBondContact O-N 3.16Å
98	I	98.3	Very high	95.6	Very high	8 Å²	8	57.8 Å²	57.8	4%	0.041	33%	0.333	C	S	.	.	H	α-helix	trans	-64.9	-40.6	175.3	-67.4	157.3	0	0	0	111.1	I61 L62 I80 M81 N84 L94 A95 A96 A101 K102	I61-I98 HydrophobicContact CG2-CG1 4.15Å; L62-I98 HydrophobicContact CD2-CG2 4.07Å; I80-I98 HydrophobicContact CG2-CD1 3.67Å; I80-I98 HydrophobicContact CG2-CG1 3.94Å; I80-I98 HydrophobicContact CG2-CG2 4.19Å; M81-I98 HydrophobicContact CE-CB 4.05Å; M81-I98 HydrophobicContact CE-CG2 3.8Å; N84-I98 HydrophobicContact CB-CD1 3.54Å; L94-I98 WeakPolarHBondContact O-CD1 3.43Å; L94-I98 VanDerWaalsContact O-CG1 3.29Å; L94-I98 WeakPolarHBondContact O-CG1 3.24Å; L94-I98 PolarHBondContact O-N 3.34Å; A95-I98 PolarHBondContact O-N 3.16Å; A96-I98 PolarHBondContact O-N 3.36Å; I98-A101 PolarHBondContact O-N 3.47Å; I98-K102 PolarHBondContact O-N 3.09Å; I98-K102 VanDerWaalsContact O-N 3.14Å
99	N	98	Very high	94.5	Very high	60 Å²	60	53 Å²	53	32%	0.321	31%	0.313	S	S	.	.	H	α-helix	trans	-64.3	-47.3	174.8	-74.3	-29.6	0	0	0	111.8	H77 M81 A95 A96 A101 K102 D103	H77-N99 PolarHBondContact NE2-OD1 3.44Å; M81-N99 WeakPolarHBondContact CE-OD1 3.47Å; A95-N99 PolarHBondContact O-N 3.32Å; A95-N99 PolarHBondContact O-ND2 3.04Å; A96-N99 PolarHBondContact O-N 3.44Å; N99-A101 VanDerWaalsContact C-N 3.27Å; N99-A101 PolarHBondContact O-N 3.01Å; N99-K102 WeakPolarHBondContact O-CB 3.48Å; N99-K102 PolarHBondContact O-N 3.46Å; N99-K102 VanDerWaalsContact O-N 3.12Å; N99-D103 PolarHBondContact O-N 3.39Å
100	Q	97.7	Very high	92.6	Very high	70 Å²	70	59.7 Å²	59.7	33%	0.327	33%	0.33	S	S	.	.	H	α-helix	trans	-55.4	-43.6	175.4	-173.6	179.1	13.5	0	0	111.3	M53 A96 K97 K102 D103 I104	M53-Q100 HydrophobicContact CB-CG 4.33Å; M53-Q100 HydrophobicContact CE-CB 4.08Å; M53-Q100 HydrophobicContact CE-CG 4.06Å; M53-Q100 HydrophobicContact SD-CB 4.14Å; M53-Q100 HydrophobicContact SD-CG 3.88Å; A96-Q100 WeakPolarHBondContact O-CB 3.37Å; A96-Q100 PolarHBondContact O-N 3.46Å; K97-Q100 PolarHBondContact O-N 3.49Å; Q100-K102 PolarHBondContact O-N 3.28Å; Q100-D103 PolarHBondContact O-N 3Å; Q100-I104 HydrophobicContact CG-CD1 3.84Å; Q100-I104 WeakPolarHBondContact O-CD1 3.35Å; Q100-I104 WeakPolarHBondContact O-CG1 3.49Å; Q100-I104 PolarHBondContact O-N 2.87Å
101	A	98	Very high	92.4	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-61.5	-43.3	177.7	0	0	0	0	0	112.6	M53 A58 I61 L62 K97 I98 N99 L105	M53-A101 WeakPolarHBondContact SD-CA 3.36Å; M53-A101 HydrophobicContact SD-CB 3.73Å; M53-A101 PolarHBondContact SD-N 2.97Å; M53-A101 VanDerWaalsContact SD-N 3.44Å; A58-A101 HydrophobicContact CB-CB 3.85Å; I61-A101 HydrophobicContact CB-CB 4.1Å; I61-A101 HydrophobicContact CD1-CB 4.3Å; I61-A101 HydrophobicContact CG2-CB 4Å; L62-A101 HydrophobicContact CD2-CB 4.49Å; L62-A101 HydrophobicContact CG-CB 4.1Å; K97-A101 WeakPolarHBondContact O-CB 3.43Å; K97-A101 PolarHBondContact O-N 3.16Å; I98-A101 PolarHBondContact O-N 3.47Å; N99-A101 VanDerWaalsContact C-N 3.27Å; N99-A101 PolarHBondContact O-N 3.01Å; A101-L105 WeakPolarHBondContact O-CB 3.4Å; A101-L105 WeakPolarHBondContact O-CG 3.38Å; A101-L105 PolarHBondContact O-N 3.24Å; A101-L105 VanDerWaalsContact O-N 3.16Å
102	K	97.5	Very high	92.2	Very high	43 Å²	43	62.5 Å²	62.5	19%	0.187	34%	0.337	C	S	.	.	H	α-helix	trans	-62	-46.6	175.6	-178.7	-138.7	71	-162.3	0	111	L62 I73 H77 I98 N99 Q100 I104 L105 E106	L62-K102 HydrophobicContact CD1-CB 4.33Å; I73-K102 HydrophobicContact CG2-CG 4.32Å; H77-K102 HydrophobicContact CB-CB 4.23Å; H77-K102 HydrophobicContact CB-CD 4.44Å; H77-K102 HydrophobicContact CB-CG 3.99Å; I98-K102 PolarHBondContact O-N 3.09Å; I98-K102 VanDerWaalsContact O-N 3.14Å; N99-K102 WeakPolarHBondContact O-CB 3.48Å; N99-K102 PolarHBondContact O-N 3.46Å; N99-K102 VanDerWaalsContact O-N 3.12Å; Q100-K102 PolarHBondContact O-N 3.28Å; K102-I104 PolarHBondContact O-N 3.42Å; K102-L105 PolarHBondContact O-N 3.49Å; K102-E106 WeakPolarHBondContact O-CB 3.33Å; K102-E106 WeakPolarHBondContact O-CG 3.47Å; K102-E106 PolarHBondContact O-N 3.18Å
103	D	96.9	Very high	91.9	Very high	85 Å²	85	60.8 Å²	60.8	46%	0.455	32%	0.323	S	S	.	.	H	α-helix	trans	-63.2	-43.3	-178.3	-63.7	-28.8	0	0	0	111.9	N99 Q100 L105 E106 S107	N99-D103 PolarHBondContact O-N 3.39Å; Q100-D103 PolarHBondContact O-N 3Å; D103-L105 VanDerWaalsContact C-N 3.32Å; D103-L105 PolarHBondContact O-N 3.44Å; D103-E106 PolarHBondContact O-N 3.16Å; D103-S107 WeakPolarHBondContact O-CB 3.4Å; D103-S107 PolarHBondContact O-N 3.07Å
104	I	96.3	Very high	91.6	Very high	43 Å²	43	56.8 Å²	56.8	22%	0.221	31%	0.312	C	S	.	.	H	α-helix	trans	-62.1	-39.9	176.8	-71.7	163.5	0	0	0	111.9	M53 R55 A58 Q100 K102	M53-I104 HydrophobicContact CB-CD1 3.55Å; M53-I104 HydrophobicContact CG-CD1 3.49Å; M53-I104 VanDerWaalsContact CG-CD1 3.49Å; M53-I104 WeakPolarHBondContact O-CD1 3.49Å; M53-I104 HydrophobicContact SD-CD1 3.7Å; R55-I104 HydrophobicContact CB-CG2 4.27Å; R55-I104 PolarHBondContact NH1-O 3.33Å; R55-I104 VanDerWaalsContact NH1-O 3.16Å; A58-I104 HydrophobicContact CB-CB 4.2Å; A58-I104 HydrophobicContact CB-CG2 4.04Å; Q100-I104 HydrophobicContact CG-CD1 3.84Å; Q100-I104 WeakPolarHBondContact O-CD1 3.35Å; Q100-I104 WeakPolarHBondContact O-CG1 3.49Å; Q100-I104 PolarHBondContact O-N 2.87Å; K102-I104 PolarHBondContact O-N 3.42Å
105	L	96.1	Very high	91.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-75.2	-33.8	-178.6	-72.4	170	0	0	0	112.7	R55 A58 A59 L62 V64 I73 A101 K102 D103	R55-L105 HydrophobicContact CG-CD2 3.81Å; R55-L105 PolarHBondContact NH1-O 3.4Å; R55-L105 PolarHBondContact NH2-O 3.35Å; A58-L105 HydrophobicContact CB-CD1 4.09Å; A58-L105 HydrophobicContact CB-CD2 4.37Å; A58-L105 HydrophobicContact CB-CG 3.85Å; A59-L105 HydrophobicContact CB-CD2 4.27Å; L62-L105 HydrophobicContact CD1-CD1 3.72Å; L62-L105 HydrophobicContact CG-CD1 4.36Å; V64-L105 HydrophobicContact CG2-CD1 4.03Å; I73-L105 HydrophobicContact CD1-CB 3.87Å; I73-L105 HydrophobicContact CG1-CB 4.35Å; I73-L105 HydrophobicContact CG2-CB 4.13Å; A101-L105 WeakPolarHBondContact O-CB 3.4Å; A101-L105 WeakPolarHBondContact O-CG 3.38Å; A101-L105 PolarHBondContact O-N 3.24Å; A101-L105 VanDerWaalsContact O-N 3.16Å; K102-L105 PolarHBondContact O-N 3.49Å; D103-L105 VanDerWaalsContact C-N 3.32Å; D103-L105 PolarHBondContact O-N 3.44Å
106	E	95.1	Very high	90.8	Very high	33 Å²	33	59.9 Å²	59.9	15%	0.154	33%	0.328	C	S	.	.	H	α-helix	trans	-77.8	-31	176.7	-73.6	-161.8	-163.9	0	0	113.9	K70 I73 R74 K102 D103 N108 K109	K70-E106 WeakPolarHBondContact CE-OE2 3.48Å; K70-E106 HydrophobicContact CG-CG 4.21Å; I73-E106 HydrophobicContact CG2-CG 4.24Å; R74-E106 WeakPolarHBondContact CG-OE1 3.41Å; R74-E106 IonicContact CZ-OE1 3.67Å; R74-E106 IonicContact CZ-OE2 3.51Å; R74-E106 IonicContact NE-OE1 2.81Å; R74-E106 PolarHBondContact NE-OE1 3.03Å; R74-E106 IonicContact NE-OE2 3.42Å; R74-E106 PolarHBondContact NE-OE2 3.04Å; R74-E106 IonicContact NH2-OE1 3.72Å; R74-E106 IonicContact NH2-OE2 2.82Å; R74-E106 PolarHBondContact NH2-OE2 2.89Å; K102-E106 WeakPolarHBondContact O-CB 3.33Å; K102-E106 WeakPolarHBondContact O-CG 3.47Å; K102-E106 PolarHBondContact O-N 3.18Å; D103-E106 PolarHBondContact O-N 3.16Å; E106-N108 PolarHBondContact O-N 3.35Å; E106-N108 VanDerWaalsContact O-N 3.08Å; E106-K109 PolarHBondContact O-N 3.35Å
107	S	88.7	Confident	90.3	Very high	91 Å²	91	60.2 Å²	60.2	64%	0.636	32%	0.319	S	S	*	.	H	α-helix	trans	-51.4	-37	-174.1	179.6	0	0	0	0	114.2	D103	D103-S107 WeakPolarHBondContact O-CB 3.4Å; D103-S107 PolarHBondContact O-N 3.07Å
108	N	75.1	Confident	89.7	Confident	128 Å²	128	63.3 Å²	63.3	68%	0.684	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	10.6	179.1	-75.9	-27.1	0	0	0	114.7	E106	E106-N108 PolarHBondContact O-N 3.35Å; E106-N108 VanDerWaalsContact O-N 3.08Å
109	K	72.1	Confident	89	Confident	45 Å²	45	67.9 Å²	67.9	20%	0.196	36%	0.362	C	S	.	.			trans	-111.1	88.4	179.4	-77	176.5	177.6	-89.1	0	109.5	Q67 S68 K70 I73 E106	Q67-K109 PolarHBondContact O-NZ 2.98Å; S68-K109 WeakPolarHBondContact O-CE 3.31Å; S68-K109 PolarHBondContact O-NZ 3.15Å; K70-K109 PolarHBondContact NZ-O 3.28Å; I73-K109 HydrophobicContact CD1-CD 3.71Å; E106-K109 PolarHBondContact O-N 3.35Å
110	N	56.3	Low	88.2	Confident	217 Å²	217	68.6 Å²	68.6	100%	1.16	37%	0.365	S	S	*	.			trans	-52.1	0	164.3	-64.6	-15.8	0	0	0	109

Retrieved 110 of 110 residues in 83.1 ms (Link to these results)

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