A0A077Z3N1_TRITR Loading...

PDZ domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z3N1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 168 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.3	Very low	44.4	Very low	240 Å²	240	139.8 Å²	139.8	100%	1.182	80%	0.796	S	S	*	*				0	127.7	0	-78.7	174.7	166.6	0	0	107.9
2	K	37.5	Very low	44.2	Very low	209 Å²	209	138.9 Å²	138.9	91%	0.909	81%	0.805	S	S	*	*			trans	42.3	137.5	149.1	-81	178.7	169.3	-179.1	0	118.4
3	A	43.7	Very low	44.5	Very low	78 Å²	78	134.2 Å²	134.2	65%	0.645	79%	0.793	S	S	*	*			cis	-179.3	163.2	7.6	0	0	0	0	0	108.1
4	S	50.3	Low	44.5	Very low	90 Å²	90	132.3 Å²	132.3	63%	0.629	80%	0.799	S	S	*	*			trans	65.7	114.6	139.7	-74.5	0	0	0	0	119.3
5	Q	47.5	Very low	44.6	Very low	161 Å²	161	134.7 Å²	134.7	75%	0.752	80%	0.798	S	S	*	*				71.1	130.6	82.9	-78.5	177.2	-38.4	0	0	110.2
6	D	43.7	Very low	44.3	Very low	131 Å²	131	133.7 Å²	133.7	70%	0.701	80%	0.801	S	S	*	*			cis	-158.5	150.6	39.2	-85.8	-54.9	0	0	0	112
7	S	41.5	Very low	44.7	Very low	102 Å²	102	133.1 Å²	133.1	71%	0.713	80%	0.797	S	S	*	*			trans	-60.5	144.1	158.7	37.3	0	0	0	0	113.4
8	F	47.9	Very low	44.7	Very low	210 Å²	210	131.8 Å²	131.8	92%	0.921	80%	0.796	S	S	*	*			trans	-146.2	130.1	146.9	-99.8	-80.5	0	0	0	112.3
9	S	44.2	Very low	45.6	Very low	105 Å²	105	131.7 Å²	131.7	73%	0.734	80%	0.796	S	S	*	*			trans	-97.3	144.2	171.9	176.9	0	0	0	0	108.9
10	V	49.7	Very low	45.5	Very low	144 Å²	144	131.6 Å²	131.6	87%	0.873	80%	0.798	S	S	*	*			trans	-177.5	133	150.5	-84.1	0	0	0	0	106
11	G	37.6	Very low	45.6	Very low	68 Å²	68	128.7 Å²	128.7	70%	0.701	80%	0.795	S	S	*	*			cis	114.2	112	30.5	0	0	0	0	0	108.4
12	S	42.2	Very low	45.6	Very low	129 Å²	129	124.5 Å²	124.5	90%	0.902	78%	0.783	S	S	*	*			trans	62.7	128.3	156.6	-67.7	0	0	0	0	120.5
13	A	47.9	Very low	46.3	Very low	78 Å²	78	125.9 Å²	125.9	65%	0.645	78%	0.782	S	S	*	*				158.2	119.5	91.6	0	0	0	0	0	110.6
14	A	44.2	Very low	46.2	Very low	107 Å²	107	127.5 Å²	127.5	88%	0.884	79%	0.789	S	S	*	*			trans	-64.9	128.8	160.1	0	0	0	0	0	108.8
15	Q	46.3	Very low	45.9	Very low	168 Å²	168	131.6 Å²	131.6	79%	0.785	80%	0.803	S	S	*	*			trans	-127.8	106.9	166.5	-76.1	-175.6	18.7	0	0	109.4
16	S	39.3	Very low	46.1	Very low	119 Å²	119	129.8 Å²	129.8	83%	0.832	80%	0.803	S	S	*	*			trans	-65.3	121.2	158	50.1	0	0	0	0	109
17	V	51.7	Low	45.9	Very low	123 Å²	123	131.1 Å²	131.1	75%	0.745	81%	0.809	S	S	*	*			trans	-118.9	109.1	162.6	166.1	0	0	0	0	108.3
18	S	43.6	Very low	46.1	Very low	111 Å²	111	131.9 Å²	131.9	78%	0.776	81%	0.814	S	S	*	*			trans	-74.1	132.9	164.9	42.6	0	0	0	0	110.8
19	T	61.6	Low	46.1	Very low	129 Å²	129	128.5 Å²	128.5	79%	0.791	81%	0.805	S	S	*	*			trans	-141.6	150.9	151.8	47.8	0	0	0	0	111.8
20	P	45.3	Very low	46.2	Very low	129 Å²	129	129.3 Å²	129.3	84%	0.838	81%	0.808	S	S	*	*			trans	-104	155.8	-155.2	37.2	-26.7	0	0	0	112.8
21	G	47.5	Very low	45.7	Very low	72 Å²	72	127.2 Å²	127.2	74%	0.742	80%	0.8	S	S	*	*			trans	169.2	51.5	175.4	0	0	0	0	0	114.3	R23	G21-R23 PolarHBondContact O-N 3.45Å; G21-R23 VanDerWaalsContact O-N 3.13Å
22	V	44.5	Very low	45.9	Very low	152 Å²	152	134 Å²	134	92%	0.921	80%	0.804	S	S	*	*			trans	-73.2	101	174.8	-114.9	0	0	0	0	109.2
23	R	52.6	Low	45.7	Very low	237 Å²	237	136.8 Å²	136.8	89%	0.894	81%	0.808	S	S	*	*			trans	-107.6	114.5	157.1	-67.9	-174.8	78.5	-178.4	4.2	107.5	G21 L25	G21-R23 PolarHBondContact O-N 3.45Å; G21-R23 VanDerWaalsContact O-N 3.13Å; R23-L25 PolarHBondContact O-N 2.95Å
24	S	41.2	Very low	45.5	Very low	113 Å²	113	136.4 Å²	136.4	79%	0.79	80%	0.801	S	S	*	*			trans	-45.7	126.3	177.7	-64.6	0	0	0	0	112.9
25	L	44.2	Very low	45.1	Very low	175 Å²	175	136.8 Å²	136.8	92%	0.916	80%	0.796	S	S	*	*			trans	-119	104.1	152.4	-71.2	175.3	0	0	0	107.7	R23	R23-L25 PolarHBondContact O-N 2.95Å
26	T	51.4	Low	44.9	Very low	124 Å²	124	135.9 Å²	135.9	76%	0.761	79%	0.792	S	S	*	*			trans	-58.3	126	171	34.9	0	0	0	0	111.7
27	L	39.9	Very low	45.6	Very low	159 Å²	159	131.8 Å²	131.8	83%	0.832	76%	0.76	S	S	*	*			trans	23.1	117.5	153.5	-75.8	103.8	0	0	0	119.5
28	S	46.3	Very low	45.9	Very low	117 Å²	117	127.6 Å²	127.6	82%	0.818	74%	0.735	S	S	*	*				-166.7	133.6	119.4	43.6	0	0	0	0	111.2
29	L	46	Very low	46.8	Very low	139 Å²	139	128.5 Å²	128.5	73%	0.728	73%	0.731	S	S	*	*			trans	-53.8	155	176.7	-86.1	66.3	0	0	0	112.3	S31	L29-S31 WeakPolarHBondContact CD2-OG 3.44Å
30	P	47.5	Very low	47.2	Very low	123 Å²	123	127.1 Å²	127.1	80%	0.799	73%	0.726	S	S	*	*				-129.1	90.6	128.2	35.3	-24	0	0	0	111.3	R32	P30-R32 PolarHBondContact O-N 2.91Å
31	S	39.7	Very low	48.8	Very low	100 Å²	100	121.7 Å²	121.7	70%	0.699	69%	0.69	S	S	*	*			trans	-76.7	63.7	159.2	-52.3	0	0	0	0	110	L29	L29-S31 WeakPolarHBondContact CD2-OG 3.44Å
32	R	40.7	Very low	50.7	Low	209 Å²	209	119.6 Å²	119.6	79%	0.789	66%	0.661	S	S	*	*			trans	-142	84.4	168.2	-74.2	-160.5	179.1	-119.7	-1.8	110.8	P30 S34	P30-R32 PolarHBondContact O-N 2.91Å; R32-S34 PolarHBondContact O-N 3.31Å
33	L	38	Very low	52.9	Low	189 Å²	189	116.2 Å²	116.2	99%	0.99	63%	0.634	S	S	*	*			trans	-64.9	72.7	146.8	-66.1	169.2	0	0	0	107.9
34	S	43.5	Very low	54.7	Low	70 Å²	70	108.5 Å²	108.5	49%	0.49	61%	0.613	S	S	.	*			trans	-99.5	104.9	160.5	51.3	0	0	0	0	106.3	R32 Q36	R32-S34 PolarHBondContact O-N 3.31Å; S34-Q36 PolarHBondContact O-N 2.82Å
35	C	36.8	Very low	57.1	Low	115 Å²	115	103.6 Å²	103.6	78%	0.777	58%	0.579	S	S	*	*			trans	-50.7	107.3	167.8	-9.3	0	0	0	0	107.4	L37	C35-L37 PolarHBondContact O-N 2.81Å; C35-L37 VanDerWaalsContact O-N 3.1Å
36	Q	41.4	Very low	59.3	Low	149 Å²	149	99.6 Å²	99.6	70%	0.696	56%	0.556	S	S	*	*			trans	-62.5	108.5	-175.3	-68.2	173.2	-16.2	0	0	108.5	S34 Y142 M146	S34-Q36 PolarHBondContact O-N 2.82Å; Q36-Y142 PolarHBondContact O-OH 2.85Å; Q36-M146 WeakPolarHBondContact O-CE 3.41Å
37	L	53.6	Low	61	Low	32 Å²	32	93.7 Å²	93.7	17%	0.168	52%	0.519	C	S	.	.			trans	-76.1	158.4	140.4	-77.2	112.3	0	0	0	106.8	C35 D39 I42 Y139 Y142	C35-L37 PolarHBondContact O-N 2.81Å; C35-L37 VanDerWaalsContact O-N 3.1Å; L37-D39 PolarHBondContact O-N 2.81Å; L37-I42 HydrophobicContact CB-CD1 3.83Å; L37-I42 HydrophobicContact CD1-CD1 4.45Å; L37-I42 HydrophobicContact CD2-CD1 4.48Å; L37-I42 HydrophobicContact CG-CD1 4.49Å; L37-Y139 HydrophobicContact CD2-CD2 3.96Å; L37-Y139 HydrophobicContact CD2-CE2 3.39Å; L37-Y142 HydrophobicContact CB-CE1 4.2Å; L37-Y142 HydrophobicContact CD2-CD1 3.8Å; L37-Y142 HydrophobicContact CD2-CE1 3.98Å; L37-Y142 HydrophobicContact CG-CD1 4.21Å; L37-Y142 HydrophobicContact CG-CE1 3.86Å
38	P	59.1	Low	63.1	Low	35 Å²	35	90.4 Å²	90.4	23%	0.227	51%	0.506	C	S	.	.			trans	-61.9	109	176.7	-13.3	29.3	0	0	0	106.5	C40 L41 Y142	P38-C40 WeakPolarHBondContact CB-SG 3.33Å; P38-C40 PolarHBondContact O-N 2.87Å; P38-L41 HydrophobicContact CB-CD1 4.35Å; P38-L41 HydrophobicContact CB-CG 4.3Å; P38-L41 HydrophobicContact CG-CD1 4.06Å; P38-L41 PolarHBondContact O-N 2.74Å; P38-Y142 HydrophobicContact CG-CD1 4.38Å; P38-Y142 HydrophobicContact CG-CD2 3.44Å; P38-Y142 VanDerWaalsContact CG-CD2 3.44Å; P38-Y142 HydrophobicContact CG-CE1 4.41Å; P38-Y142 HydrophobicContact CG-CE2 3.45Å; P38-Y142 VanDerWaalsContact CG-CE2 3.45Å; P38-Y142 HydrophobicContact CG-CG 3.92Å
39	D	61.2	Low	64.6	Low	130 Å²	130	86.7 Å²	86.7	70%	0.695	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-10.6	176.8	-70.3	-42.3	0	0	0	111.3	L37	L37-D39 PolarHBondContact O-N 2.81Å
40	C	70.5	Confident	65.6	Low	100 Å²	100	86.9 Å²	86.9	68%	0.676	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-23.1	170.7	63	0	0	0	0	114.8	P38	P38-C40 WeakPolarHBondContact CB-SG 3.33Å; P38-C40 PolarHBondContact O-N 2.87Å
41	L	79.7	Confident	66.4	Low	15 Å²	15	87.9 Å²	87.9	8%	0.079	47%	0.468	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-17.7	-178.2	-59.7	175.9	0	0	0	113.2	P38 P132 D135 K138	P38-L41 HydrophobicContact CB-CD1 4.35Å; P38-L41 HydrophobicContact CB-CG 4.3Å; P38-L41 HydrophobicContact CG-CD1 4.06Å; P38-L41 PolarHBondContact O-N 2.74Å; L41-P132 WeakPolarHBondContact O-CD 3.48Å; L41-D135 HydrophobicContact CB-CB 4.46Å; L41-D135 HydrophobicContact CD2-CB 3.8Å; L41-K138 HydrophobicContact CD1-CB 3.95Å; L41-K138 HydrophobicContact CD2-CB 3.98Å; L41-K138 HydrophobicContact CD2-CD 3.86Å
42	I	86.6	Confident	67.3	Low	28 Å²	28	88.3 Å²	88.3	14%	0.144	47%	0.468	C	S	.	.			trans	-104.9	121.1	-176.5	-57.7	173.8	0	0	0	108.8	L37 L98 M129 V131 Y139	L37-I42 HydrophobicContact CB-CD1 3.83Å; L37-I42 HydrophobicContact CD1-CD1 4.45Å; L37-I42 HydrophobicContact CD2-CD1 4.48Å; L37-I42 HydrophobicContact CG-CD1 4.49Å; I42-L98 HydrophobicContact CD1-CD1 3.89Å; I42-L98 HydrophobicContact CG1-CD1 4.02Å; I42-L98 HydrophobicContact CG2-CD1 4.34Å; I42-M129 HydrophobicContact CG2-CB 4.33Å; I42-M129 HydrophobicContact CG2-CE 4Å; I42-V131 HydrophobicContact CG1-CG2 4.09Å; I42-Y139 HydrophobicContact CD1-CE2 4.32Å; I42-Y139 HydrophobicContact CG1-CE2 4.41Å
43	K	90.2	Very high	68.1	Low	82 Å²	82	85.7 Å²	85.7	36%	0.357	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	142.5	174.7	-61.9	-173.7	-170.2	156.5	0	109.5	M129 Y130 P132 E134	K43-M129 WeakPolarHBondContact O-CA 3.36Å; K43-Y130 HydrophobicContact CB-CD1 4.29Å; K43-Y130 HydrophobicContact CB-CE1 3.69Å; K43-Y130 HydrophobicContact CB-CE2 4.22Å; K43-Y130 PolarHBondContact N-O 2.69Å; K43-Y130 WeakPolarHBondContact O-CD1 3.32Å; K43-Y130 PolarHBondContact O-N 3.31Å; K43-P132 HydrophobicContact CD-CG 3.49Å; K43-P132 VanDerWaalsContact CD-CG 3.49Å; K43-P132 HydrophobicContact CG-CG 3.93Å; K43-P132 VanDerWaalsContact NZ-CG 3.32Å; K43-E134 IonicContact NZ-OE1 3.49Å; K43-E134 PolarHBondContact NZ-OE1 3.27Å; K43-E134 VanDerWaalsContact NZ-OE1 3.11Å
44	T	91.3	Very high	69	Low	74 Å²	74	81.6 Å²	81.6	45%	0.454	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	128.8	174.7	-58.2	0	0	0	0	109.2	R127 V128 M129	T44-R127 HydrophobicContact CG2-CG 3.56Å; T44-V128 WeakPolarHBondContact CA-O 3.46Å; T44-M129 HydrophobicContact CG2-CG 4.14Å
45	V	90.9	Very high	69.4	Low	11 Å²	11	82.6 Å²	82.6	7%	0.067	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	144.4	178.2	-70.9	0	0	0	0	110.4	I47 R90 L91 R127 V128 Y130	V45-I47 HydrophobicContact CG2-CD1 4.29Å; V45-I47 HydrophobicContact CG2-CG1 4.26Å; V45-R90 HydrophobicContact CG1-CB 4.06Å; V45-L91 HydrophobicContact CG2-CD2 4.28Å; V45-L91 HydrophobicContact CG2-CG 4.34Å; V45-R127 CarbonylContact O-C 3.47Å; V45-R127 VanDerWaalsContact O-CA 3.29Å; V45-R127 WeakPolarHBondContact O-CA 3.39Å; V45-V128 HydrophobicContact CG2-CB 3.99Å; V45-V128 PolarHBondContact N-O 2.7Å; V45-V128 PolarHBondContact O-N 2.92Å; V45-Y130 HydrophobicContact CB-CE1 4.31Å; V45-Y130 HydrophobicContact CG1-CE1 3.72Å; V45-Y130 HydrophobicContact CG2-CD1 4.07Å; V45-Y130 HydrophobicContact CG2-CE1 3.73Å
46	E	90.3	Very high	70.3	Confident	91 Å²	91	79.3 Å²	79.3	43%	0.425	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	109.8	172	-175.8	169.2	-177.5	0	0	109.9	R90 S125 I126	E46-R90 VanDerWaalsContact C-NH2 3.29Å; E46-R90 PolarHBondContact O-NH2 2.86Å; E46-S125 VanDerWaalsContact OE1-CB 3.31Å; E46-S125 WeakPolarHBondContact OE1-CB 3.42Å; E46-S125 PolarHBondContact OE1-OG 2.9Å; E46-I126 CarbonylContact C-O 3.44Å; E46-I126 VanDerWaalsContact CA-O 3.3Å; E46-I126 WeakPolarHBondContact CA-O 3.39Å
47	I	87.3	Confident	71.3	Confident	0 Å²	0	77.2 Å²	77.2	0%	0	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	114.7	-174.6	-54.4	177.2	0	0	0	108	V45 Y59 A84 I85 D88 L91 S125 I126 V128	V45-I47 HydrophobicContact CG2-CD1 4.29Å; V45-I47 HydrophobicContact CG2-CG1 4.26Å; I47-Y59 HydrophobicContact CG2-CE1 4.01Å; I47-Y59 PolarHBondContact O-OH 3.39Å; I47-A84 HydrophobicContact CG2-CB 4.41Å; I47-I85 HydrophobicContact CD1-CB 4.46Å; I47-I85 HydrophobicContact CD1-CG1 3.8Å; I47-I85 HydrophobicContact CD1-CG2 4.33Å; I47-D88 HydrophobicContact CG2-CB 3.93Å; I47-L91 HydrophobicContact CD1-CD1 3.67Å; I47-L91 HydrophobicContact CD1-CG 4.29Å; I47-S125 WeakPolarHBondContact O-CA 3.32Å; I47-I126 HydrophobicContact CB-CG1 3.92Å; I47-I126 PolarHBondContact N-O 2.88Å; I47-I126 PolarHBondContact O-N 3.19Å; I47-V128 HydrophobicContact CD1-CG2 4.47Å
48	V	84.4	Confident	71.9	Confident	90 Å²	90	76.9 Å²	76.9	55%	0.545	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	134.4	178.5	-175.4	0	0	0	0	109.5	N50	V48-N50 PolarHBondContact O-N 3Å
49	K	77.8	Confident	72.6	Confident	39 Å²	39	75.2 Å²	75.2	17%	0.17	44%	0.437	C	S	.	.			trans	-68.4	104.3	171.9	-64	-173.3	-174	152.9	0	109.7	K51 V58 Y59 S121 L123 K124	K49-K51 VanDerWaalsContact C-N 3.29Å; K49-K51 PolarHBondContact O-N 2.96Å; K49-V58 HydrophobicContact CD-CG2 4.32Å; K49-V58 HydrophobicContact CG-CG1 4.46Å; K49-Y59 HydrophobicContact CD-CE2 4.29Å; K49-Y59 HydrophobicContact CG-CE2 4.12Å; K49-Y59 VanDerWaalsContact CG-OH 3.24Å; K49-Y59 WeakPolarHBondContact CG-OH 3.39Å; K49-S121 PolarHBondContact NZ-O 2.73Å; K49-L123 WeakPolarHBondContact CD-O 3.4Å; K49-L123 WeakPolarHBondContact CE-O 3.29Å; K49-L123 PolarHBondContact NZ-O 3.03Å; K49-K124 PolarHBondContact N-O 3.47Å
50	N	66.6	Low	73.1	Confident	143 Å²	143	70.7 Å²	70.7	77%	0.765	42%	0.416	S	S	*	.	S	Bend	trans	-71.7	-24.4	178.4	-168.4	-61.5	0	0	0	112.2	V48	V48-N50 PolarHBondContact O-N 3Å
51	K	64.4	Low	73.5	Confident	144 Å²	144	66.5 Å²	66.5	63%	0.626	39%	0.388	S	S	*	.			trans	-126.8	98.9	-175.8	-62.2	-176	-177.7	178.1	0	111.8	K49 N53 L54	K49-K51 VanDerWaalsContact C-N 3.29Å; K49-K51 PolarHBondContact O-N 2.96Å; K51-N53 PolarHBondContact O-N 3.16Å; K51-L54 HydrophobicContact CB-CB 4.44Å
52	P	59.6	Low	73.7	Confident	108 Å²	108	66 Å²	66	70%	0.701	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-23.8	176.4	27.9	-33.9	0	0	0	112.7
53	N	56.8	Low	73.8	Confident	154 Å²	154	68.5 Å²	68.5	82%	0.824	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-0.4	-170.4	-62.7	-40.2	0	0	0	114.6	K51 G55	K51-N53 PolarHBondContact O-N 3.16Å; N53-G55 PolarHBondContact O-N 3.06Å
54	L	56.1	Low	73.7	Confident	104 Å²	104	64.6 Å²	64.6	55%	0.545	38%	0.379	S	S	.	.	S	Bend	trans	-88.1	94.1	170.9	-153.7	74.1	0	0	0	106.3	K51 G56	K51-L54 HydrophobicContact CB-CB 4.44Å; L54-G56 PolarHBondContact O-N 2.72Å
55	G	52.5	Low	73.6	Confident	90 Å²	90	65.4 Å²	65.4	93%	0.928	38%	0.378	S	S	*	.			trans	-61.2	26.6	-174.6	0	0	0	0	0	116.6	N53	N53-G55 PolarHBondContact O-N 3.06Å
56	G	56.3	Low	73.2	Confident	46 Å²	46	67.4 Å²	67.4	47%	0.474	39%	0.388	S	S	.	.	S	Bend	trans	-96	146.2	171.7	0	0	0	0	0	111.6	L54 V58	L54-G56 PolarHBondContact O-N 2.72Å; G56-V58 VanDerWaalsContact C-N 3.28Å; G56-V58 VanDerWaalsContact O-CG2 3.3Å; G56-V58 WeakPolarHBondContact O-CG2 3.19Å; G56-V58 PolarHBondContact O-N 3.49Å
57	N	62.7	Low	72.3	Confident	106 Å²	106	64.4 Å²	64.4	57%	0.567	38%	0.381	S	S	*	.			trans	-68.2	86.3	173.9	-67.2	-41.5	0	0	0	110.3	Y59 S60 S61	N57-Y59 PolarHBondContact O-N 3.41Å; N57-S60 VanDerWaalsContact CB-CB 3.47Å; N57-S60 PolarHBondContact O-N 3.5Å; N57-S61 PolarHBondContact O-N 2.73Å
58	V	66.2	Low	71.4	Confident	24 Å²	24	74.5 Å²	74.5	15%	0.145	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-34.2	-168.6	-176.9	0	0	0	0	115	K49 G56 S61 G83 A84	K49-V58 HydrophobicContact CD-CG2 4.32Å; K49-V58 HydrophobicContact CG-CG1 4.46Å; G56-V58 VanDerWaalsContact C-N 3.28Å; G56-V58 VanDerWaalsContact O-CG2 3.3Å; G56-V58 WeakPolarHBondContact O-CG2 3.19Å; G56-V58 PolarHBondContact O-N 3.49Å; V58-S61 PolarHBondContact O-OG 3.33Å; V58-G83 WeakPolarHBondContact O-CA 3.46Å; V58-A84 HydrophobicContact CG1-CB 3.01Å
59	Y	73.9	Confident	70.4	Confident	0 Å²	0	76 Å²	76	0%	0	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-10.9	-179.9	-48	-55.6	0	0	0	113.1	I47 K49 N57 S61 A84 I85 C120 I126	I47-Y59 HydrophobicContact CG2-CE1 4.01Å; I47-Y59 PolarHBondContact O-OH 3.39Å; K49-Y59 HydrophobicContact CD-CE2 4.29Å; K49-Y59 HydrophobicContact CG-CE2 4.12Å; K49-Y59 VanDerWaalsContact CG-OH 3.24Å; K49-Y59 WeakPolarHBondContact CG-OH 3.39Å; N57-Y59 PolarHBondContact O-N 3.41Å; Y59-S61 PolarHBondContact O-N 2.78Å; Y59-A84 HydrophobicContact CE1-CB 4.3Å; Y59-I85 HydrophobicContact CD1-CD1 3.56Å; Y59-I85 HydrophobicContact CD1-CG1 3.67Å; Y59-I85 HydrophobicContact CE1-CD1 4.41Å; Y59-I85 HydrophobicContact CE1-CG1 4.14Å; Y59-I85 HydrophobicContact CG-CD1 4.25Å; Y59-C120 WeakPolarHBondContact CE2-O 3.33Å; Y59-I126 HydrophobicContact CD1-CD1 3.44Å; Y59-I126 VanDerWaalsContact CD1-CD1 3.44Å; Y59-I126 HydrophobicContact CD1-CG1 4.27Å; Y59-I126 HydrophobicContact CD2-CD1 3.91Å; Y59-I126 HydrophobicContact CD2-CG1 4.5Å; Y59-I126 HydrophobicContact CD2-CG2 3.85Å; Y59-I126 HydrophobicContact CE1-CD1 3.38Å; Y59-I126 HydrophobicContact CE1-CG1 3.7Å; Y59-I126 HydrophobicContact CE2-CB 4.25Å; Y59-I126 HydrophobicContact CE2-CD1 3.89Å; Y59-I126 HydrophobicContact CE2-CG1 3.99Å; Y59-I126 HydrophobicContact CE2-CG2 3.26Å; Y59-I126 HydrophobicContact CG-CD1 3.68Å
60	S	71.6	Confident	70	Confident	36 Å²	36	74.5 Å²	74.5	25%	0.252	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-8.5	174.6	-171	0	0	0	0	112.6	N57 I62	N57-S60 VanDerWaalsContact CB-CB 3.47Å; N57-S60 PolarHBondContact O-N 3.5Å; S60-I62 PolarHBondContact O-N 3.45Å
61	S	77.4	Confident	70.2	Confident	11 Å²	11	70.6 Å²	70.6	8%	0.077	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	9.8	173.5	54.1	0	0	0	0	114.1	N57 V58 Y59 D80	N57-S61 PolarHBondContact O-N 2.73Å; V58-S61 PolarHBondContact O-OG 3.33Å; Y59-S61 PolarHBondContact O-N 2.78Å; S61-D80 WeakPolarHBondContact CA-OD2 3.48Å; S61-D80 WeakPolarHBondContact CB-OD2 3.23Å; S61-D80 PolarHBondContact O-N 3.37Å; S61-D80 VanDerWaalsContact O-OD2 3.04Å
62	I	85.3	Confident	70.9	Confident	4 Å²	4	65.5 Å²	65.5	2%	0.021	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	129.6	173.2	-58.6	-164.3	0	0	0	110	S60 I64 I76 S78 V79 I85	S60-I62 PolarHBondContact O-N 3.45Å; I62-I64 HydrophobicContact CG2-CG1 3.98Å; I62-I76 HydrophobicContact CG2-CG1 4.26Å; I62-I76 HydrophobicContact CG2-CG2 3.89Å; I62-S78 WeakPolarHBondContact CA-O 3.34Å; I62-V79 HydrophobicContact CD1-CG1 4.35Å; I62-V79 HydrophobicContact CD1-CG2 4.31Å; I62-V79 HydrophobicContact CG1-CG1 4.18Å; I62-V79 HydrophobicContact CG1-CG2 4.4Å; I62-I85 HydrophobicContact CD1-CB 3.71Å; I62-I85 HydrophobicContact CD1-CD1 3.12Å; I62-I85 HydrophobicContact CD1-CG1 3.93Å; I62-I85 HydrophobicContact CD1-CG2 3.51Å; I62-I85 HydrophobicContact CG1-CB 4.49Å; I62-I85 HydrophobicContact CG1-CD1 3.96Å
63	Q	88	Confident	72.1	Confident	82 Å²	82	60.4 Å²	60.4	38%	0.383	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	120.5	167.2	-56.7	-168.4	12.3	0	0	109.2	K77 S78	Q63-K77 HydrophobicContact CB-CB 4.25Å; Q63-K77 WeakPolarHBondContact O-CB 3.36Å; Q63-K77 PolarHBondContact O-N 2.95Å; Q63-S78 PolarHBondContact N-O 3.17Å; Q63-S78 PolarHBondContact O-N 3.23Å
64	I	89.3	Confident	73.6	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	136.8	177.4	-62.5	179.7	0	0	0	109.6	I62 C74 K75 I97 R110 A113 L117	I62-I64 HydrophobicContact CG2-CG1 3.98Å; I64-C74 HydrophobicContact CD1-CB 4.43Å; I64-C74 HydrophobicContact CG2-CB 3.27Å; I64-C74 VanDerWaalsContact CG2-SG 3.6Å; I64-K75 CarbonylContact C-O 3.56Å; I64-K75 VanDerWaalsContact CA-O 3.29Å; I64-K75 WeakPolarHBondContact CA-O 3.38Å; I64-I97 HydrophobicContact CD1-CD1 4.04Å; I64-R110 PolarHBondContact O-NE 3.38Å; I64-R110 PolarHBondContact O-NH1 2.94Å; I64-R110 PolarHBondContact O-NH2 3.12Å; I64-A113 HydrophobicContact CD1-CB 4.29Å; I64-L117 HydrophobicContact CD1-CD1 3.47Å; I64-L117 VanDerWaalsContact CD1-CD1 3.47Å; I64-L117 HydrophobicContact CD1-CG 4.37Å; I64-L117 HydrophobicContact CG1-CD1 4.28Å
65	E	88.4	Confident	75.3	Confident	91 Å²	91	52.7 Å²	52.7	43%	0.425	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	142.2	171.4	-173.9	167	-178	0	0	110.6	K75 K77	E65-K75 PolarHBondContact N-O 3.17Å; E65-K75 PolarHBondContact O-N 3.32Å; E65-K77 HydrophobicContact CB-CB 4.29Å
66	L	82.6	Confident	77.1	Confident	52 Å²	52	48.4 Å²	48.4	27%	0.272	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	135.9	175	-87.5	78	0	0	0	108.6	A108 R110	L66-A108 WeakPolarHBondContact CD2-O 3.46Å; L66-R110 VanDerWaalsContact CD1-CA 3.45Å; L66-R110 HydrophobicContact CD1-CB 3.48Å; L66-R110 VanDerWaalsContact CD1-CB 3.48Å; L66-R110 HydrophobicContact CD1-CG 4.33Å
67	G	71.4	Confident	78.8	Confident	28 Å²	28	51.5 Å²	51.5	29%	0.289	26%	0.262	S	S	.	.			trans	-56.9	152.7	160.5	0	0	0	0	0	109.5	D69 G70	G67-D69 PolarHBondContact O-N 3.02Å; G67-G70 PolarHBondContact O-N 3.36Å
68	K	67.7	Low	80.1	Confident	213 Å²	213	48.1 Å²	48.1	93%	0.926	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.6	-25.2	-170.9	-69.4	-178.9	176.7	-178.1	0	114.8
69	D	64.7	Low	81.2	Confident	121 Å²	121	47.6 Å²	47.6	65%	0.647	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.3	-7.3	-179.5	-45.6	-48	0	0	0	113.6	G67 I71	G67-D69 PolarHBondContact O-N 3.02Å; D69-I71 HydrophobicContact CB-CB 4.01Å; D69-I71 HydrophobicContact CB-CD1 3.64Å; D69-I71 HydrophobicContact CB-CG1 3.56Å; D69-I71 WeakPolarHBondContact O-CG1 3.39Å; D69-I71 PolarHBondContact O-N 3.12Å
70	G	67.6	Low	81.8	Confident	8 Å²	8	50.5 Å²	50.5	8%	0.082	26%	0.259	C	S	.	.	S	Bend	trans	65.6	-17.7	-170.6	0	0	0	0	0	114.4	G67 N72 G73 Y107	G67-G70 PolarHBondContact O-N 3.36Å; G70-N72 VanDerWaalsContact C-N 3.3Å; G70-N72 PolarHBondContact O-N 3.37Å; G70-G73 PolarHBondContact O-N 2.89Å; G70-G73 VanDerWaalsContact O-N 3.17Å; G70-Y107 WeakPolarHBondContact O-CA 3.49Å; G70-Y107 PolarHBondContact O-N 2.88Å
71	I	72.4	Confident	82.4	Confident	61 Å²	61	53.3 Å²	53.3	31%	0.313	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-50.2	176.8	-59.8	-175.2	0	0	0	109.6	D69 G73 Y107 R143	D69-I71 HydrophobicContact CB-CB 4.01Å; D69-I71 HydrophobicContact CB-CD1 3.64Å; D69-I71 HydrophobicContact CB-CG1 3.56Å; D69-I71 WeakPolarHBondContact O-CG1 3.39Å; D69-I71 PolarHBondContact O-N 3.12Å; I71-G73 PolarHBondContact O-N 3.01Å; I71-Y107 HydrophobicContact CB-CD1 4.39Å; I71-Y107 HydrophobicContact CB-CE1 3.92Å; I71-Y107 HydrophobicContact CG1-CD1 4.1Å; I71-Y107 HydrophobicContact CG1-CE1 3.69Å; I71-Y107 HydrophobicContact CG2-CE1 3.9Å; I71-R143 PolarHBondContact O-NH1 3.03Å; I71-R143 PolarHBondContact O-NH2 2.79Å
72	N	78.3	Confident	82.6	Confident	37 Å²	37	57 Å²	57	20%	0.198	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-4.4	-173.5	-67.9	37.8	0	0	0	114.4	G70 L96 L98 R143	G70-N72 VanDerWaalsContact C-N 3.3Å; G70-N72 PolarHBondContact O-N 3.37Å; N72-L96 HydrophobicContact CB-CD2 4.27Å; N72-L96 WeakPolarHBondContact O-CD1 3.33Å; N72-L96 VanDerWaalsContact O-CD2 3.28Å; N72-L96 WeakPolarHBondContact O-CD2 3.35Å; N72-L96 WeakPolarHBondContact O-CG 3.27Å; N72-L98 VanDerWaalsContact O-CD2 3.27Å; N72-L98 WeakPolarHBondContact O-CD2 3.47Å; N72-R143 VanDerWaalsContact CA-NH1 3.33Å
73	G	85.3	Confident	82.4	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.01	30%	0.302	C	S	.	.			trans	90.5	-147.5	-174.9	0	0	0	0	0	112.2	G70 I71	G70-G73 PolarHBondContact O-N 2.89Å; G70-G73 VanDerWaalsContact O-N 3.17Å; I71-G73 PolarHBondContact O-N 3.01Å
74	C	88.9	Confident	82.2	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	109	-157.3	-89.2	0	0	0	0	111	I64 I97 L105	I64-C74 HydrophobicContact CD1-CB 4.43Å; I64-C74 HydrophobicContact CG2-CB 3.27Å; I64-C74 VanDerWaalsContact CG2-SG 3.6Å; C74-I97 HydrophobicContact CB-CB 4.37Å; C74-I97 PolarHBondContact N-O 3.45Å; C74-I97 PolarHBondContact O-N 3.47Å; C74-L105 HydrophobicContact CB-CB 4.29Å; C74-L105 HydrophobicContact CB-CD1 4.04Å
75	K	90.5	Very high	81.9	Confident	95 Å²	95	53.8 Å²	53.8	41%	0.413	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	137	-179	-170.9	174.9	179.9	177.5	0	111.5	I64 E65 K77 G94 D95 L96	I64-K75 CarbonylContact C-O 3.56Å; I64-K75 VanDerWaalsContact CA-O 3.29Å; I64-K75 WeakPolarHBondContact CA-O 3.38Å; E65-K75 PolarHBondContact N-O 3.17Å; E65-K75 PolarHBondContact O-N 3.32Å; K75-K77 PolarHBondContact O-N 3.12Å; K75-G94 VanDerWaalsContact CE-O 3.23Å; K75-G94 WeakPolarHBondContact CE-O 3.48Å; K75-D95 CarbonylContact C-O 3.52Å; K75-D95 WeakPolarHBondContact CA-O 3.38Å; K75-L96 HydrophobicContact CB-CD1 4.31Å
76	I	91.1	Very high	81.8	Confident	1 Å²	1	56 Å²	56	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	119	174.9	-60.2	-179.1	0	0	0	109.3	I62 V79 L91 G94 D95 I97	I62-I76 HydrophobicContact CG2-CG1 4.26Å; I62-I76 HydrophobicContact CG2-CG2 3.89Å; I76-V79 HydrophobicContact CG2-CG2 3.47Å; I76-V79 VanDerWaalsContact CG2-CG2 3.47Å; I76-L91 HydrophobicContact CD1-CB 4.05Å; I76-G94 PolarHBondContact O-N 2.84Å; I76-D95 HydrophobicContact CD1-CB 4.17Å; I76-D95 PolarHBondContact N-O 2.91Å; I76-I97 HydrophobicContact CD1-CD1 3.95Å; I76-I97 HydrophobicContact CD1-CG1 4.12Å; I76-I97 HydrophobicContact CG1-CD1 3.79Å; I76-I97 HydrophobicContact CG1-CG1 4Å
77	K	91.3	Very high	81.9	Confident	110 Å²	110	57.6 Å²	57.6	48%	0.478	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-39.7	177	-176.4	176.7	-177	169.4	0	112.6	Q63 E65 K75 I93	Q63-K77 HydrophobicContact CB-CB 4.25Å; Q63-K77 WeakPolarHBondContact O-CB 3.36Å; Q63-K77 PolarHBondContact O-N 2.95Å; E65-K77 HydrophobicContact CB-CB 4.29Å; K75-K77 PolarHBondContact O-N 3.12Å; K77-I93 WeakPolarHBondContact O-CG2 3.33Å
78	S	90.5	Very high	82.7	Confident	35 Å²	35	58.8 Å²	58.8	25%	0.245	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	149	-180	-175.2	0	0	0	0	109.6	I62 Q63	I62-S78 WeakPolarHBondContact CA-O 3.34Å; Q63-S78 PolarHBondContact N-O 3.17Å; Q63-S78 PolarHBondContact O-N 3.23Å
79	V	88.6	Confident	83.6	Confident	14 Å²	14	50.4 Å²	50.4	9%	0.085	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	121.6	175.2	-175	0	0	0	0	107.6	I62 I76 I85 Y86 I93	I62-V79 HydrophobicContact CD1-CG1 4.35Å; I62-V79 HydrophobicContact CD1-CG2 4.31Å; I62-V79 HydrophobicContact CG1-CG1 4.18Å; I62-V79 HydrophobicContact CG1-CG2 4.4Å; I76-V79 HydrophobicContact CG2-CG2 3.47Å; I76-V79 VanDerWaalsContact CG2-CG2 3.47Å; V79-I85 HydrophobicContact CG1-CG2 4.39Å; V79-Y86 HydrophobicContact CG1-CD2 4.34Å; V79-I93 HydrophobicContact CG2-CG1 4.41Å
80	D	87.2	Confident	84.7	Confident	61 Å²	61	49.2 Å²	49.2	33%	0.326	28%	0.277	S	S	.	.			trans	-76	138	178.2	-44.7	-42.6	0	0	0	110.6	S61 S82 G83 Y86	S61-D80 WeakPolarHBondContact CA-OD2 3.48Å; S61-D80 WeakPolarHBondContact CB-OD2 3.23Å; S61-D80 PolarHBondContact O-N 3.37Å; S61-D80 VanDerWaalsContact O-OD2 3.04Å; D80-S82 PolarHBondContact O-N 2.88Å; D80-S82 VanDerWaalsContact O-N 3.1Å; D80-G83 PolarHBondContact O-N 2.97Å; D80-Y86 WeakPolarHBondContact O-CB 3.32Å
81	P	84.2	Confident	85.8	Confident	94 Å²	94	49.1 Å²	49.1	61%	0.61	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-18.3	-173.9	24.9	-34.6	0	0	0	114.5	G83 Y86	P81-G83 VanDerWaalsContact C-N 3.3Å; P81-Y86 VanDerWaalsContact CA-CD1 3.49Å; P81-Y86 VanDerWaalsContact CA-CG 3.48Å; P81-Y86 HydrophobicContact CB-CD1 3.9Å; P81-Y86 HydrophobicContact CB-CD2 4.44Å; P81-Y86 HydrophobicContact CB-CE1 3.8Å; P81-Y86 HydrophobicContact CB-CE2 4.37Å; P81-Y86 HydrophobicContact CB-CG 4.22Å; P81-Y86 WeakPolarHBondContact O-CD1 3.34Å
82	S	81.6	Confident	86.6	Confident	88 Å²	88	51.5 Å²	51.5	62%	0.615	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-8.6	176.7	62	0	0	0	0	114	D80	D80-S82 PolarHBondContact O-N 2.88Å; D80-S82 VanDerWaalsContact O-N 3.1Å
83	G	81.3	Confident	87.3	Confident	2 Å²	2	55 Å²	55	2%	0.021	30%	0.302	C	S	.	.	S	Bend	trans	-82	153.7	-178.1	0	0	0	0	0	113.4	V58 D80 P81 I85 Y86 A87	V58-G83 WeakPolarHBondContact O-CA 3.46Å; D80-G83 PolarHBondContact O-N 2.97Å; P81-G83 VanDerWaalsContact C-N 3.3Å; G83-I85 PolarHBondContact O-N 2.8Å; G83-Y86 PolarHBondContact O-N 2.87Å; G83-A87 PolarHBondContact O-N 2.88Å
84	A	82.6	Confident	87.5	Confident	15 Å²	15	55.4 Å²	55.4	12%	0.124	31%	0.306	C	S	.	.	H	α-helix	trans	-69.1	-20	174.9	0	0	0	0	0	112.2	I47 V58 Y59 A87 D88	I47-A84 HydrophobicContact CG2-CB 4.41Å; V58-A84 HydrophobicContact CG1-CB 3.01Å; Y59-A84 HydrophobicContact CE1-CB 4.3Å; A84-A87 PolarHBondContact O-N 3.35Å; A84-D88 WeakPolarHBondContact O-CB 3.36Å; A84-D88 PolarHBondContact O-N 3.39Å
85	I	84.1	Confident	87.7	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-71.1	-39.5	175.8	-65.1	170.1	0	0	0	110.4	I47 Y59 I62 V79 G83 G89 L91 I126	I47-I85 HydrophobicContact CD1-CB 4.46Å; I47-I85 HydrophobicContact CD1-CG1 3.8Å; I47-I85 HydrophobicContact CD1-CG2 4.33Å; Y59-I85 HydrophobicContact CD1-CD1 3.56Å; Y59-I85 HydrophobicContact CD1-CG1 3.67Å; Y59-I85 HydrophobicContact CE1-CD1 4.41Å; Y59-I85 HydrophobicContact CE1-CG1 4.14Å; Y59-I85 HydrophobicContact CG-CD1 4.25Å; I62-I85 HydrophobicContact CD1-CB 3.71Å; I62-I85 HydrophobicContact CD1-CD1 3.12Å; I62-I85 HydrophobicContact CD1-CG1 3.93Å; I62-I85 HydrophobicContact CD1-CG2 3.51Å; I62-I85 HydrophobicContact CG1-CB 4.49Å; I62-I85 HydrophobicContact CG1-CD1 3.96Å; V79-I85 HydrophobicContact CG1-CG2 4.39Å; G83-I85 PolarHBondContact O-N 2.8Å; I85-G89 PolarHBondContact O-N 3.14Å; I85-G89 VanDerWaalsContact O-N 3.15Å; I85-L91 HydrophobicContact CG2-CB 3.58Å; I85-L91 HydrophobicContact CG2-CD1 3.67Å; I85-L91 HydrophobicContact CG2-CG 4.12Å; I85-I126 HydrophobicContact CD1-CD1 4.25Å
86	Y	86.1	Confident	87.7	Confident	137 Å²	137	51.6 Å²	51.6	54%	0.537	29%	0.29	S	S	.	.	H	α-helix	trans	-65.8	-44.8	171.4	-172.5	-93.4	0	0	0	111.3	V79 D80 P81 G83 D88 G89	V79-Y86 HydrophobicContact CG1-CD2 4.34Å; D80-Y86 WeakPolarHBondContact O-CB 3.32Å; P81-Y86 VanDerWaalsContact CA-CD1 3.49Å; P81-Y86 VanDerWaalsContact CA-CG 3.48Å; P81-Y86 HydrophobicContact CB-CD1 3.9Å; P81-Y86 HydrophobicContact CB-CD2 4.44Å; P81-Y86 HydrophobicContact CB-CE1 3.8Å; P81-Y86 HydrophobicContact CB-CE2 4.37Å; P81-Y86 HydrophobicContact CB-CG 4.22Å; P81-Y86 WeakPolarHBondContact O-CD1 3.34Å; G83-Y86 PolarHBondContact O-N 2.87Å; Y86-D88 VanDerWaalsContact C-N 3.27Å; Y86-D88 PolarHBondContact O-N 2.76Å; Y86-G89 PolarHBondContact O-N 3.46Å; Y86-G89 VanDerWaalsContact O-N 3.13Å
87	A	85.3	Confident	87.7	Confident	86 Å²	86	51.7 Å²	51.7	71%	0.711	29%	0.29	S	S	*	.	H	α-helix	trans	-63.3	-31.4	178.6	0	0	0	0	0	113.5	G83 A84	G83-A87 PolarHBondContact O-N 2.88Å; A84-A87 PolarHBondContact O-N 3.35Å
88	D	86.7	Confident	87.6	Confident	54 Å²	54	46.9 Å²	46.9	29%	0.289	27%	0.27	S	S	.	.	H	α-helix	trans	-76.1	-28.1	175.7	-176.4	89	0	0	0	112.2	I47 A84 Y86 R90	I47-D88 HydrophobicContact CG2-CB 3.93Å; A84-D88 WeakPolarHBondContact O-CB 3.36Å; A84-D88 PolarHBondContact O-N 3.39Å; Y86-D88 VanDerWaalsContact C-N 3.27Å; Y86-D88 PolarHBondContact O-N 2.76Å; D88-R90 VanDerWaalsContact CG-NH2 3.3Å; D88-R90 PolarHBondContact O-N 3.22Å; D88-R90 IonicContact OD1-CZ 3.47Å; D88-R90 IonicContact OD1-NE 3.06Å; D88-R90 PolarHBondContact OD1-NE 2.84Å; D88-R90 IonicContact OD1-NH2 2.78Å; D88-R90 PolarHBondContact OD1-NH2 3.27Å; D88-R90 WeakPolarHBondContact OD2-CB 3.33Å; D88-R90 WeakPolarHBondContact OD2-CG 3.29Å; D88-R90 IonicContact OD2-CZ 3.33Å; D88-R90 IonicContact OD2-NE 3.11Å; D88-R90 PolarHBondContact OD2-NE 3.42Å; D88-R90 IonicContact OD2-NH2 3.69Å; D88-R90 PolarHBondContact OD2-NH2 2.91Å
89	G	86.6	Confident	87.6	Confident	37 Å²	37	49.3 Å²	49.3	38%	0.381	27%	0.273	S	S	.	.			trans	67.7	5.9	170.2	0	0	0	0	0	115.7	I85 Y86 H92	I85-G89 PolarHBondContact O-N 3.14Å; I85-G89 VanDerWaalsContact O-N 3.15Å; Y86-G89 PolarHBondContact O-N 3.46Å; Y86-G89 VanDerWaalsContact O-N 3.13Å; G89-H92 PolarHBondContact O-CE1 3.39Å; G89-H92 PolarHBondContact O-NE2 3.49Å
90	R	88.6	Confident	87.7	Confident	95 Å²	95	48.7 Å²	48.7	36%	0.358	27%	0.27	S	S	.	.			trans	-89.6	-22.3	179.6	-66	-176.5	-66.1	-170.8	-10.3	114	V45 E46 D88 Y130	V45-R90 HydrophobicContact CG1-CB 4.06Å; E46-R90 VanDerWaalsContact C-NH2 3.29Å; E46-R90 PolarHBondContact O-NH2 2.86Å; D88-R90 VanDerWaalsContact CG-NH2 3.3Å; D88-R90 PolarHBondContact O-N 3.22Å; D88-R90 IonicContact OD1-CZ 3.47Å; D88-R90 IonicContact OD1-NE 3.06Å; D88-R90 PolarHBondContact OD1-NE 2.84Å; D88-R90 IonicContact OD1-NH2 2.78Å; D88-R90 PolarHBondContact OD1-NH2 3.27Å; D88-R90 WeakPolarHBondContact OD2-CB 3.33Å; D88-R90 WeakPolarHBondContact OD2-CG 3.29Å; D88-R90 IonicContact OD2-CZ 3.33Å; D88-R90 IonicContact OD2-NE 3.11Å; D88-R90 PolarHBondContact OD2-NE 3.42Å; D88-R90 IonicContact OD2-NH2 3.69Å; D88-R90 PolarHBondContact OD2-NH2 2.91Å; R90-Y130 PolarHBondContact O-OH 2.86Å
91	L	89.9	Confident	87.8	Confident	6 Å²	6	47.4 Å²	47.4	3%	0.031	26%	0.263	C	S	.	.	S	Bend	trans	-106.9	127.7	176.9	-65.6	175.4	0	0	0	109.7	V45 I47 I76 I85 V128 Y130	V45-L91 HydrophobicContact CG2-CD2 4.28Å; V45-L91 HydrophobicContact CG2-CG 4.34Å; I47-L91 HydrophobicContact CD1-CD1 3.67Å; I47-L91 HydrophobicContact CD1-CG 4.29Å; I76-L91 HydrophobicContact CD1-CB 4.05Å; I85-L91 HydrophobicContact CG2-CB 3.58Å; I85-L91 HydrophobicContact CG2-CD1 3.67Å; I85-L91 HydrophobicContact CG2-CG 4.12Å; L91-V128 HydrophobicContact CD1-CB 4.33Å; L91-V128 HydrophobicContact CD1-CG1 4.1Å; L91-V128 HydrophobicContact CD1-CG2 4.34Å; L91-V128 HydrophobicContact CD2-CG1 4.48Å; L91-Y130 HydrophobicContact CD2-CD1 3.4Å; L91-Y130 VanDerWaalsContact CD2-CD1 3.4Å; L91-Y130 HydrophobicContact CD2-CD2 3.74Å; L91-Y130 HydrophobicContact CD2-CE1 3.62Å; L91-Y130 HydrophobicContact CD2-CE2 3.95Å; L91-Y130 HydrophobicContact CD2-CG 3.47Å; L91-Y130 VanDerWaalsContact CD2-CG 3.47Å
92	H	89.9	Confident	87.9	Confident	111 Å²	111	49.2 Å²	49.2	51%	0.514	27%	0.267	S	S	.	.			trans	-118.3	164.2	-175.9	-62.4	90.6	0	0	0	111.9	G89 G94 D95	G89-H92 PolarHBondContact O-CE1 3.39Å; G89-H92 PolarHBondContact O-NE2 3.49Å; H92-G94 PolarHBondContact O-N 3.41Å; H92-D95 PolarHBondContact N-OD2 3.48Å; H92-D95 WeakPolarHBondContact O-CB 3.37Å; H92-D95 PolarHBondContact O-N 2.81Å
93	I	92	Very high	88.3	Confident	112 Å²	112	50 Å²	50	57%	0.574	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	129.6	170.1	-59.8	170.3	0	0	0	108.1	K77 V79	K77-I93 WeakPolarHBondContact O-CG2 3.33Å; V79-I93 HydrophobicContact CG2-CG1 4.41Å
94	G	90.7	Very high	88.6	Confident	9 Å²	9	52.8 Å²	52.8	9%	0.093	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	106.1	-22	-177.1	0	0	0	0	0	114.3	K75 I76 H92 I136	K75-G94 VanDerWaalsContact CE-O 3.23Å; K75-G94 WeakPolarHBondContact CE-O 3.48Å; I76-G94 PolarHBondContact O-N 2.84Å; H92-G94 PolarHBondContact O-N 3.41Å; G94-I136 WeakPolarHBondContact O-CD1 3.28Å
95	D	92	Very high	88.8	Confident	9 Å²	9	52.1 Å²	52.1	5%	0.048	27%	0.27	C	S	.	.			trans	-68.4	148.2	-178.2	-67.8	-20.6	0	0	0	112.3	K75 I76 H92 Y130 P132 A133	K75-D95 CarbonylContact C-O 3.52Å; K75-D95 WeakPolarHBondContact CA-O 3.38Å; I76-D95 HydrophobicContact CD1-CB 4.17Å; I76-D95 PolarHBondContact N-O 2.91Å; H92-D95 PolarHBondContact N-OD2 3.48Å; H92-D95 WeakPolarHBondContact O-CB 3.37Å; H92-D95 PolarHBondContact O-N 2.81Å; D95-Y130 HydrophobicContact CB-CD2 3.98Å; D95-P132 WeakPolarHBondContact OD1-CA 3.41Å; D95-A133 PolarHBondContact OD1-N 3.44Å
96	L	90.6	Very high	88.8	Confident	5 Å²	5	56.4 Å²	56.4	3%	0.026	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	106.2	-175.8	-178.4	73.3	0	0	0	110.7	N72 K75 L98 Y130 V131 I136 Y139	N72-L96 HydrophobicContact CB-CD2 4.27Å; N72-L96 WeakPolarHBondContact O-CD1 3.33Å; N72-L96 VanDerWaalsContact O-CD2 3.28Å; N72-L96 WeakPolarHBondContact O-CD2 3.35Å; N72-L96 WeakPolarHBondContact O-CG 3.27Å; K75-L96 HydrophobicContact CB-CD1 4.31Å; L96-L98 HydrophobicContact CD2-CD2 4.15Å; L96-L98 HydrophobicContact CG-CD2 4.2Å; L96-L98 PolarHBondContact O-N 3.45Å; L96-Y130 CarbonylContact O-C 3.48Å; L96-Y130 WeakPolarHBondContact O-CA 3.43Å; L96-Y130 WeakPolarHBondContact O-CB 3.39Å; L96-V131 HydrophobicContact CB-CB 4.2Å; L96-V131 HydrophobicContact CD2-CB 4.45Å; L96-V131 PolarHBondContact N-O 2.93Å; L96-V131 PolarHBondContact O-N 3.12Å; L96-I136 HydrophobicContact CB-CD1 3.84Å; L96-I136 HydrophobicContact CB-CG1 4.01Å; L96-Y139 HydrophobicContact CD2-CD1 3.89Å; L96-Y139 HydrophobicContact CD2-CE1 3.97Å
97	I	90.9	Very high	88.6	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.015	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	123.4	178.1	-51.3	171.4	0	0	0	109.6	I64 C74 I76 I100 L105 V128	I64-I97 HydrophobicContact CD1-CD1 4.04Å; C74-I97 HydrophobicContact CB-CB 4.37Å; C74-I97 PolarHBondContact N-O 3.45Å; C74-I97 PolarHBondContact O-N 3.47Å; I76-I97 HydrophobicContact CD1-CD1 3.95Å; I76-I97 HydrophobicContact CD1-CG1 4.12Å; I76-I97 HydrophobicContact CG1-CD1 3.79Å; I76-I97 HydrophobicContact CG1-CG1 4Å; I97-I100 HydrophobicContact CG2-CD1 4.14Å; I97-I100 HydrophobicContact CG2-CG1 3.74Å; I97-L105 HydrophobicContact CB-CD1 4.22Å; I97-L105 HydrophobicContact CG2-CD1 3.7Å; I97-V128 HydrophobicContact CG1-CG1 4.41Å; I97-V128 HydrophobicContact CG2-CG1 3.73Å
98	L	89.2	Confident	88.5	Confident	9 Å²	9	53.2 Å²	53.2	5%	0.047	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-39.8	178.3	-59.2	-177.4	0	0	0	112.1	I42 N72 L96 L105 R106 M129 V131 Y139	I42-L98 HydrophobicContact CD1-CD1 3.89Å; I42-L98 HydrophobicContact CG1-CD1 4.02Å; I42-L98 HydrophobicContact CG2-CD1 4.34Å; N72-L98 VanDerWaalsContact O-CD2 3.27Å; N72-L98 WeakPolarHBondContact O-CD2 3.47Å; L96-L98 HydrophobicContact CD2-CD2 4.15Å; L96-L98 HydrophobicContact CG-CD2 4.2Å; L96-L98 PolarHBondContact O-N 3.45Å; L98-L105 PolarHBondContact O-N 3.26Å; L98-R106 HydrophobicContact CD2-CG 4.48Å; L98-R106 PolarHBondContact O-N 2.66Å; L98-M129 PolarHBondContact N-O 2.77Å; L98-V131 HydrophobicContact CD1-CG2 3.68Å; L98-V131 HydrophobicContact CG-CG2 4.12Å; L98-Y139 HydrophobicContact CD1-CE2 3.68Å; L98-Y139 HydrophobicContact CD2-CE1 4.06Å; L98-Y139 HydrophobicContact CD2-CE2 4.35Å; L98-Y139 WeakPolarHBondContact CD2-OH 3.38Å
99	R	90.5	Very high	88.4	Confident	86 Å²	86	56.4 Å²	56.4	33%	0.325	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	143.1	-174.8	-174.6	-178.9	-171	161.6	10.2	111	N101 N102 Q103 D104 M129	R99-N101 PolarHBondContact NE-O 2.76Å; R99-N102 PolarHBondContact NH2-O 3Å; R99-Q103 WeakPolarHBondContact CA-O 3.27Å; R99-Q103 VanDerWaalsContact CG-O 3.27Å; R99-Q103 WeakPolarHBondContact CG-O 3.41Å; R99-D104 WeakPolarHBondContact CD-OD1 3.16Å; R99-D104 WeakPolarHBondContact CG-OD1 3.1Å; R99-D104 IonicContact CZ-OD1 2.75Å; R99-D104 IonicContact NE-OD1 2.7Å; R99-D104 PolarHBondContact NE-OD1 3.18Å; R99-M129 HydrophobicContact CB-CB 4.04Å; R99-M129 HydrophobicContact CB-CG 4.24Å; R99-M129 HydrophobicContact CB-SD 4.13Å; R99-M129 HydrophobicContact CG-SD 4.43Å; R99-M129 PolarHBondContact N-O 2.84Å; R99-M129 PolarHBondContact O-N 2.81Å
100	I	90.6	Very high	88.4	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	120.4	171.7	-55.4	-175.8	0	0	0	108.6	I97 N102 Q103 L105 I116 L117 C120 R127 V128	I97-I100 HydrophobicContact CG2-CD1 4.14Å; I97-I100 HydrophobicContact CG2-CG1 3.74Å; I100-N102 PolarHBondContact O-N 2.85Å; I100-N102 VanDerWaalsContact O-N 3.12Å; I100-Q103 PolarHBondContact N-O 3.17Å; I100-Q103 WeakPolarHBondContact O-CA 3.46Å; I100-Q103 WeakPolarHBondContact O-CB 3.4Å; I100-Q103 PolarHBondContact O-N 2.81Å; I100-L105 HydrophobicContact CD1-CD1 3.66Å; I100-L105 HydrophobicContact CG1-CD1 3.82Å; I100-L105 HydrophobicContact CG1-CG 4.31Å; I100-I116 HydrophobicContact CB-CG2 4.25Å; I100-L117 HydrophobicContact CD1-CD2 3.38Å; I100-L117 HydrophobicContact CD1-CG 3.97Å; I100-C120 HydrophobicContact CG2-CB 4.4Å; I100-R127 CarbonylContact C-O 3.5Å; I100-R127 WeakPolarHBondContact CA-O 3.3Å; I100-V128 HydrophobicContact CG1-CG1 4.47Å; I100-V128 HydrophobicContact CG2-CG2 4.49Å
101	N	89.6	Confident	88.3	Confident	34 Å²	34	57.8 Å²	57.8	18%	0.182	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	-114.6	-171.8	-67.4	-40.6	0	0	0	109.9	R99 C120 L123 I126 R127	R99-N101 PolarHBondContact NE-O 2.76Å; N101-C120 PolarHBondContact ND2-SG 2.78Å; N101-C120 VanDerWaalsContact ND2-SG 3.43Å; N101-L123 VanDerWaalsContact ND2-CD1 3.33Å; N101-L123 WeakPolarHBondContact ND2-CD1 3.44Å; N101-I126 WeakPolarHBondContact OD1-CA 3.33Å; N101-R127 PolarHBondContact N-O 2.76Å; N101-R127 PolarHBondContact OD1-N 3.1Å
102	N	88	Confident	88.2	Confident	132 Å²	132	61.9 Å²	61.9	71%	0.706	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	2.9	180	-64.9	-5	0	0	0	112.7	R99 I100	R99-N102 PolarHBondContact NH2-O 3Å; I100-N102 PolarHBondContact O-N 2.85Å; I100-N102 VanDerWaalsContact O-N 3.12Å
103	Q	89.6	Confident	88	Confident	105 Å²	105	56.6 Å²	56.6	49%	0.491	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	118.2	-174	-60.3	-65	-40.3	0	0	111.3	R99 I100 I116	R99-Q103 WeakPolarHBondContact CA-O 3.27Å; R99-Q103 VanDerWaalsContact CG-O 3.27Å; R99-Q103 WeakPolarHBondContact CG-O 3.41Å; I100-Q103 PolarHBondContact N-O 3.17Å; I100-Q103 WeakPolarHBondContact O-CA 3.46Å; I100-Q103 WeakPolarHBondContact O-CB 3.4Å; I100-Q103 PolarHBondContact O-N 2.81Å; Q103-I116 HydrophobicContact CB-CD1 4.07Å; Q103-I116 HydrophobicContact CB-CG1 4.38Å; Q103-I116 HydrophobicContact CB-CG2 3.88Å; Q103-I116 HydrophobicContact CG-CG2 4.2Å
104	D	87.5	Confident	87.8	Confident	61 Å²	61	55 Å²	55	33%	0.326	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	134.7	174.3	-78.2	-6.7	0	0	0	110.6	R99 R106	R99-D104 WeakPolarHBondContact CD-OD1 3.16Å; R99-D104 WeakPolarHBondContact CG-OD1 3.1Å; R99-D104 IonicContact CZ-OD1 2.75Å; R99-D104 IonicContact NE-OD1 2.7Å; R99-D104 PolarHBondContact NE-OD1 3.18Å; D104-R106 IonicContact OD2-CZ 3.91Å; D104-R106 IonicContact OD2-NE 3.64Å; D104-R106 IonicContact OD2-NH2 3.45Å; D104-R106 PolarHBondContact OD2-NH2 3.21Å
105	L	86.8	Confident	87.7	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.274	C	S	.	.			trans	-99.7	-2.2	174.4	-63.5	-170	0	0	0	112.9	C74 I97 L98 I100 Y107 A108 A113 I116	C74-L105 HydrophobicContact CB-CB 4.29Å; C74-L105 HydrophobicContact CB-CD1 4.04Å; I97-L105 HydrophobicContact CB-CD1 4.22Å; I97-L105 HydrophobicContact CG2-CD1 3.7Å; L98-L105 PolarHBondContact O-N 3.26Å; I100-L105 HydrophobicContact CD1-CD1 3.66Å; I100-L105 HydrophobicContact CG1-CD1 3.82Å; I100-L105 HydrophobicContact CG1-CG 4.31Å; L105-Y107 PolarHBondContact O-N 3.48Å; L105-A108 HydrophobicContact CB-CB 4.47Å; L105-A108 HydrophobicContact CD2-CB 4.27Å; L105-A108 WeakPolarHBondContact O-CB 3.37Å; L105-A108 PolarHBondContact O-N 2.81Å; L105-A108 VanDerWaalsContact O-N 3.12Å; L105-A113 HydrophobicContact CD1-CB 4.28Å; L105-A113 HydrophobicContact CD2-CB 3.99Å; L105-I116 HydrophobicContact CD2-CB 4.35Å; L105-I116 HydrophobicContact CD2-CD1 3.42Å; L105-I116 VanDerWaalsContact CD2-CD1 3.42Å; L105-I116 HydrophobicContact CD2-CG1 4.48Å; L105-I116 HydrophobicContact CD2-CG2 4.39Å
106	R	84.2	Confident	87.5	Confident	92 Å²	92	56 Å²	56	35%	0.347	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	127.9	169.8	-61.3	179.3	-67.7	177	-0.1	108	L98 D104 A108	L98-R106 HydrophobicContact CD2-CG 4.48Å; L98-R106 PolarHBondContact O-N 2.66Å; D104-R106 IonicContact OD2-CZ 3.91Å; D104-R106 IonicContact OD2-NE 3.64Å; D104-R106 IonicContact OD2-NH2 3.45Å; D104-R106 PolarHBondContact OD2-NH2 3.21Å; R106-A108 PolarHBondContact O-N 2.91Å
107	Y	81.7	Confident	87.4	Confident	155 Å²	155	55.9 Å²	55.9	61%	0.608	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	8.2	-174.9	-43	-84.4	0	0	0	115.4	G70 I71 L105 R143	G70-Y107 WeakPolarHBondContact O-CA 3.49Å; G70-Y107 PolarHBondContact O-N 2.88Å; I71-Y107 HydrophobicContact CB-CD1 4.39Å; I71-Y107 HydrophobicContact CB-CE1 3.92Å; I71-Y107 HydrophobicContact CG1-CD1 4.1Å; I71-Y107 HydrophobicContact CG1-CE1 3.69Å; I71-Y107 HydrophobicContact CG2-CE1 3.9Å; L105-Y107 PolarHBondContact O-N 3.48Å; Y107-R143 VanDerWaalsContact CZ-NH2 3.32Å; Y107-R143 PolarHBondContact OH-NH2 2.93Å
108	A	83.6	Confident	87.2	Confident	2 Å²	2	63 Å²	63	2%	0.017	30%	0.299	C	S	.	.			trans	-80.8	138.6	177.8	0	0	0	0	0	111.5	L66 L105 R106 Q112	L66-A108 WeakPolarHBondContact CD2-O 3.46Å; L105-A108 HydrophobicContact CB-CB 4.47Å; L105-A108 HydrophobicContact CD2-CB 4.27Å; L105-A108 WeakPolarHBondContact O-CB 3.37Å; L105-A108 PolarHBondContact O-N 2.81Å; L105-A108 VanDerWaalsContact O-N 3.12Å; R106-A108 PolarHBondContact O-N 2.91Å; A108-Q112 HydrophobicContact CB-CB 4.32Å; A108-Q112 HydrophobicContact CB-CG 4.2Å
109	L	84.7	Confident	87	Confident	121 Å²	121	70.5 Å²	70.5	63%	0.634	33%	0.327	S	S	*	.			trans	-68.4	158.1	172.5	-70.9	163.7	0	0	0	111.4	A111 Q112 A113	L109-A111 PolarHBondContact O-N 2.85Å; L109-Q112 HydrophobicContact CB-CB 4.35Å; L109-Q112 WeakPolarHBondContact O-CA 3.48Å; L109-Q112 WeakPolarHBondContact O-CB 2.98Å; L109-Q112 PolarHBondContact O-N 3.4Å; L109-A113 PolarHBondContact O-N 3.41Å
110	R	85	Confident	86.8	Confident	85 Å²	85	66.7 Å²	66.7	32%	0.321	31%	0.314	S	S	.	.	H	α-helix	trans	-54.9	-42.2	179.3	-172	177	173.8	115.2	7	111.4	I64 L66 K114	I64-R110 PolarHBondContact O-NE 3.38Å; I64-R110 PolarHBondContact O-NH1 2.94Å; I64-R110 PolarHBondContact O-NH2 3.12Å; L66-R110 VanDerWaalsContact CD1-CA 3.45Å; L66-R110 HydrophobicContact CD1-CB 3.48Å; L66-R110 VanDerWaalsContact CD1-CB 3.48Å; L66-R110 HydrophobicContact CD1-CG 4.33Å; R110-K114 WeakPolarHBondContact O-CB 3.3Å; R110-K114 WeakPolarHBondContact O-CG 3.25Å; R110-K114 PolarHBondContact O-N 3.27Å
111	A	86.9	Confident	86.3	Confident	75 Å²	75	67.3 Å²	67.3	62%	0.62	32%	0.318	S	S	*	.	H	α-helix	trans	-64.2	-40.8	178	0	0	0	0	0	111.9	L109 K114 A115	L109-A111 PolarHBondContact O-N 2.85Å; A111-K114 PolarHBondContact O-N 2.85Å; A111-A115 WeakPolarHBondContact O-CB 3.19Å; A111-A115 PolarHBondContact O-N 2.97Å
112	Q	88.7	Confident	85.9	Confident	93 Å²	93	72.9 Å²	72.9	44%	0.435	35%	0.347	S	S	.	.	H	α-helix	trans	-66.2	-46.1	177.5	-174.8	-178.7	-0.1	0	0	111.4	A108 L109 K114 A115 I116	A108-Q112 HydrophobicContact CB-CB 4.32Å; A108-Q112 HydrophobicContact CB-CG 4.2Å; L109-Q112 HydrophobicContact CB-CB 4.35Å; L109-Q112 WeakPolarHBondContact O-CA 3.48Å; L109-Q112 WeakPolarHBondContact O-CB 2.98Å; L109-Q112 PolarHBondContact O-N 3.4Å; Q112-K114 PolarHBondContact O-N 3.45Å; Q112-A115 WeakPolarHBondContact O-CB 3.18Å; Q112-A115 PolarHBondContact O-N 3.11Å; Q112-A115 VanDerWaalsContact O-N 3.14Å; Q112-I116 HydrophobicContact CG-CD1 4.07Å; Q112-I116 WeakPolarHBondContact O-CG1 3.44Å; Q112-I116 PolarHBondContact O-N 3.23Å
113	A	86.2	Confident	85.7	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-59.7	-45.1	175.9	0	0	0	0	0	111.8	I64 L105 L109 A115 I116 L117	I64-A113 HydrophobicContact CD1-CB 4.29Å; L105-A113 HydrophobicContact CD1-CB 4.28Å; L105-A113 HydrophobicContact CD2-CB 3.99Å; L109-A113 PolarHBondContact O-N 3.41Å; A113-A115 VanDerWaalsContact C-N 3.35Å; A113-A115 PolarHBondContact O-N 3.21Å; A113-I116 PolarHBondContact O-N 3.29Å; A113-L117 PolarHBondContact O-N 2.87Å
114	K	87	Confident	85.5	Confident	78 Å²	78	74.2 Å²	74.2	34%	0.339	35%	0.348	S	S	.	.	H	α-helix	trans	-60.9	-41.4	173.2	-77.4	-174.2	172.9	-168.6	0	112.4	R110 A111 Q112 I116 L117 R118	R110-K114 WeakPolarHBondContact O-CB 3.3Å; R110-K114 WeakPolarHBondContact O-CG 3.25Å; R110-K114 PolarHBondContact O-N 3.27Å; A111-K114 PolarHBondContact O-N 2.85Å; Q112-K114 PolarHBondContact O-N 3.45Å; K114-I116 VanDerWaalsContact C-N 3.34Å; K114-L117 PolarHBondContact O-N 2.75Å; K114-R118 WeakPolarHBondContact O-CB 3.16Å; K114-R118 VanDerWaalsContact O-CG 3.3Å; K114-R118 WeakPolarHBondContact O-CG 3.3Å; K114-R118 PolarHBondContact O-N 3.37Å
115	A	88.4	Confident	85.5	Confident	32 Å²	32	73.3 Å²	73.3	26%	0.264	35%	0.347	S	S	.	.	H	α-helix	trans	-64.3	-39.4	177.1	0	0	0	0	0	111.8	A111 Q112 A113 R118 R119	A111-A115 WeakPolarHBondContact O-CB 3.19Å; A111-A115 PolarHBondContact O-N 2.97Å; Q112-A115 WeakPolarHBondContact O-CB 3.18Å; Q112-A115 PolarHBondContact O-N 3.11Å; Q112-A115 VanDerWaalsContact O-N 3.14Å; A113-A115 VanDerWaalsContact C-N 3.35Å; A113-A115 PolarHBondContact O-N 3.21Å; A115-R118 PolarHBondContact O-N 2.82Å; A115-R119 WeakPolarHBondContact O-CG 3.3Å; A115-R119 PolarHBondContact O-N 3.26Å
116	I	88.7	Confident	85.6	Confident	6 Å²	6	73.3 Å²	73.3	3%	0.031	35%	0.347	C	S	.	.	H	α-helix	trans	-63.5	-47.3	174.7	-68.7	162.5	0	0	0	110.4	I100 Q103 L105 Q112 A113 K114 R118 R119 C120	I100-I116 HydrophobicContact CB-CG2 4.25Å; Q103-I116 HydrophobicContact CB-CD1 4.07Å; Q103-I116 HydrophobicContact CB-CG1 4.38Å; Q103-I116 HydrophobicContact CB-CG2 3.88Å; Q103-I116 HydrophobicContact CG-CG2 4.2Å; L105-I116 HydrophobicContact CD2-CB 4.35Å; L105-I116 HydrophobicContact CD2-CD1 3.42Å; L105-I116 VanDerWaalsContact CD2-CD1 3.42Å; L105-I116 HydrophobicContact CD2-CG1 4.48Å; L105-I116 HydrophobicContact CD2-CG2 4.39Å; Q112-I116 HydrophobicContact CG-CD1 4.07Å; Q112-I116 WeakPolarHBondContact O-CG1 3.44Å; Q112-I116 PolarHBondContact O-N 3.23Å; A113-I116 PolarHBondContact O-N 3.29Å; K114-I116 VanDerWaalsContact C-N 3.34Å; I116-R118 VanDerWaalsContact C-N 3.33Å; I116-R118 PolarHBondContact O-N 3.27Å; I116-R119 PolarHBondContact O-N 3.41Å; I116-C120 WeakPolarHBondContact O-CB 3.5Å; I116-C120 PolarHBondContact O-N 3.36Å; I116-C120 PolarHBondContact O-SG 3.32Å
117	L	87.1	Confident	85.9	Confident	3 Å²	3	75.2 Å²	75.2	2%	0.016	35%	0.354	C	S	.	.	H	α-helix	trans	-59.1	-42.1	175.3	-77	174.8	0	0	0	112.7	I64 I100 A113 K114 C120 S121	I64-L117 HydrophobicContact CD1-CD1 3.47Å; I64-L117 VanDerWaalsContact CD1-CD1 3.47Å; I64-L117 HydrophobicContact CD1-CG 4.37Å; I64-L117 HydrophobicContact CG1-CD1 4.28Å; I100-L117 HydrophobicContact CD1-CD2 3.38Å; I100-L117 HydrophobicContact CD1-CG 3.97Å; A113-L117 PolarHBondContact O-N 2.87Å; K114-L117 PolarHBondContact O-N 2.75Å; L117-C120 CarbonylContact O-C 3.52Å; L117-C120 PolarHBondContact O-N 3.22Å; L117-S121 PolarHBondContact O-N 3.32Å; L117-S121 PolarHBondContact O-OG 3Å
118	R	86.5	Confident	86.4	Confident	152 Å²	152	68 Å²	68	57%	0.574	33%	0.326	S	S	*	.	H	α-helix	trans	-61.5	-45.1	175.3	-76	176	176.7	-177.9	-2.8	111.7	K114 A115 I116 S121	K114-R118 WeakPolarHBondContact O-CB 3.16Å; K114-R118 VanDerWaalsContact O-CG 3.3Å; K114-R118 WeakPolarHBondContact O-CG 3.3Å; K114-R118 PolarHBondContact O-N 3.37Å; A115-R118 PolarHBondContact O-N 2.82Å; I116-R118 VanDerWaalsContact C-N 3.33Å; I116-R118 PolarHBondContact O-N 3.27Å; R118-S121 WeakPolarHBondContact O-CA 3.45Å; R118-S121 VanDerWaalsContact O-CB 3.22Å; R118-S121 WeakPolarHBondContact O-CB 3.41Å; R118-S121 PolarHBondContact O-N 2.93Å; R118-S121 VanDerWaalsContact O-N 3.11Å
119	R	86.8	Confident	86.8	Confident	167 Å²	167	70.5 Å²	70.5	63%	0.63	34%	0.338	S	S	*	.	H	α-helix	trans	-62.5	-42.8	174.3	-70.6	179.5	-174.2	111.4	-2.7	111.8	A115 I116 S121 L122	A115-R119 WeakPolarHBondContact O-CG 3.3Å; A115-R119 PolarHBondContact O-N 3.26Å; I116-R119 PolarHBondContact O-N 3.41Å; R119-S121 PolarHBondContact O-N 3.48Å; R119-L122 WeakPolarHBondContact O-CB 3.49Å; R119-L122 PolarHBondContact O-N 3.42Å; R119-L122 VanDerWaalsContact O-N 3.07Å
120	C	84.9	Confident	87.1	Confident	7 Å²	7	65.6 Å²	65.6	5%	0.047	31%	0.311	C	S	.	.	H	α-helix	trans	-65.5	-23.5	176	-64.8	0	0	0	0	112	Y59 I100 N101 I116 L117 L122 L123 I126	Y59-C120 WeakPolarHBondContact CE2-O 3.33Å; I100-C120 HydrophobicContact CG2-CB 4.4Å; N101-C120 PolarHBondContact ND2-SG 2.78Å; N101-C120 VanDerWaalsContact ND2-SG 3.43Å; I116-C120 WeakPolarHBondContact O-CB 3.5Å; I116-C120 PolarHBondContact O-N 3.36Å; I116-C120 PolarHBondContact O-SG 3.32Å; L117-C120 CarbonylContact O-C 3.52Å; L117-C120 PolarHBondContact O-N 3.22Å; C120-L122 PolarHBondContact O-N 3.5Å; C120-L122 VanDerWaalsContact O-N 3.09Å; C120-L123 WeakPolarHBondContact O-CB 3.22Å; C120-L123 PolarHBondContact O-N 2.86Å; C120-I126 HydrophobicContact CB-CG2 3.78Å
121	S	79.8	Confident	87.3	Confident	13 Å²	13	61.5 Å²	61.5	9%	0.091	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	0.7	172.3	-56	0	0	0	0	113.6	K49 L117 R118 R119	K49-S121 PolarHBondContact NZ-O 2.73Å; L117-S121 PolarHBondContact O-N 3.32Å; L117-S121 PolarHBondContact O-OG 3Å; R118-S121 WeakPolarHBondContact O-CA 3.45Å; R118-S121 VanDerWaalsContact O-CB 3.22Å; R118-S121 WeakPolarHBondContact O-CB 3.41Å; R118-S121 PolarHBondContact O-N 2.93Å; R118-S121 VanDerWaalsContact O-N 3.11Å; R119-S121 PolarHBondContact O-N 3.48Å
122	L	82	Confident	87.5	Confident	151 Å²	151	58.3 Å²	58.3	79%	0.791	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-17	166.8	-56.8	174.9	0	0	0	113	R119 C120	R119-L122 WeakPolarHBondContact O-CB 3.49Å; R119-L122 PolarHBondContact O-N 3.42Å; R119-L122 VanDerWaalsContact O-N 3.07Å; C120-L122 PolarHBondContact O-N 3.5Å; C120-L122 VanDerWaalsContact O-N 3.09Å
123	L	84.7	Confident	87.5	Confident	83 Å²	83	56.2 Å²	56.2	44%	0.435	27%	0.268	S	S	.	.	S	Bend	trans	-86.3	147.4	-175.6	-57.8	175.1	0	0	0	112.4	K49 N101 C120 S125	K49-L123 WeakPolarHBondContact CD-O 3.4Å; K49-L123 WeakPolarHBondContact CE-O 3.29Å; K49-L123 PolarHBondContact NZ-O 3.03Å; N101-L123 VanDerWaalsContact ND2-CD1 3.33Å; N101-L123 WeakPolarHBondContact ND2-CD1 3.44Å; C120-L123 WeakPolarHBondContact O-CB 3.22Å; C120-L123 PolarHBondContact O-N 2.86Å; L123-S125 WeakPolarHBondContact CB-O 3.45Å
124	K	84.8	Confident	87.6	Confident	182 Å²	182	62.5 Å²	62.5	79%	0.791	30%	0.297	S	S	*	.	S	Bend	trans	-70.1	-35.8	177.9	-68.5	-176.1	-179.1	179.7	0	112.8	K49	K49-K124 PolarHBondContact N-O 3.47Å
125	S	87	Confident	87.6	Confident	42 Å²	42	59.5 Å²	59.5	29%	0.294	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	150.2	174.4	66.1	0	0	0	0	110.8	E46 I47 L123	E46-S125 VanDerWaalsContact OE1-CB 3.31Å; E46-S125 WeakPolarHBondContact OE1-CB 3.42Å; E46-S125 PolarHBondContact OE1-OG 2.9Å; I47-S125 WeakPolarHBondContact O-CA 3.32Å; L123-S125 WeakPolarHBondContact CB-O 3.45Å
126	I	89.3	Confident	87.5	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134.3	171.5	66	167.5	0	0	0	109.5	E46 I47 Y59 I85 N101 C120 V128	E46-I126 CarbonylContact C-O 3.44Å; E46-I126 VanDerWaalsContact CA-O 3.3Å; E46-I126 WeakPolarHBondContact CA-O 3.39Å; I47-I126 HydrophobicContact CB-CG1 3.92Å; I47-I126 PolarHBondContact N-O 2.88Å; I47-I126 PolarHBondContact O-N 3.19Å; Y59-I126 HydrophobicContact CD1-CD1 3.44Å; Y59-I126 VanDerWaalsContact CD1-CD1 3.44Å; Y59-I126 HydrophobicContact CD1-CG1 4.27Å; Y59-I126 HydrophobicContact CD2-CD1 3.91Å; Y59-I126 HydrophobicContact CD2-CG1 4.5Å; Y59-I126 HydrophobicContact CD2-CG2 3.85Å; Y59-I126 HydrophobicContact CE1-CD1 3.38Å; Y59-I126 HydrophobicContact CE1-CG1 3.7Å; Y59-I126 HydrophobicContact CE2-CB 4.25Å; Y59-I126 HydrophobicContact CE2-CD1 3.89Å; Y59-I126 HydrophobicContact CE2-CG1 3.99Å; Y59-I126 HydrophobicContact CE2-CG2 3.26Å; Y59-I126 HydrophobicContact CG-CD1 3.68Å; I85-I126 HydrophobicContact CD1-CD1 4.25Å; N101-I126 WeakPolarHBondContact OD1-CA 3.33Å; C120-I126 HydrophobicContact CB-CG2 3.78Å; I126-V128 HydrophobicContact CD1-CG2 3.8Å; I126-V128 HydrophobicContact CG1-CG2 4.13Å
127	R	91	Very high	87.3	Confident	132 Å²	132	66.8 Å²	66.8	50%	0.498	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	122.9	169.7	-175.7	-179.5	-65	-143.6	-2.3	108.8	T44 V45 I100 N101	T44-R127 HydrophobicContact CG2-CG 3.56Å; V45-R127 CarbonylContact O-C 3.47Å; V45-R127 VanDerWaalsContact O-CA 3.29Å; V45-R127 WeakPolarHBondContact O-CA 3.39Å; I100-R127 CarbonylContact C-O 3.5Å; I100-R127 WeakPolarHBondContact CA-O 3.3Å; N101-R127 PolarHBondContact N-O 2.76Å; N101-R127 PolarHBondContact OD1-N 3.1Å
128	V	91.1	Very high	87.1	Confident	3 Å²	3	72.1 Å²	72.1	2%	0.018	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.2	177.4	-175.3	0	0	0	0	108.3	T44 V45 I47 L91 I97 I100 I126	T44-V128 WeakPolarHBondContact CA-O 3.46Å; V45-V128 HydrophobicContact CG2-CB 3.99Å; V45-V128 PolarHBondContact N-O 2.7Å; V45-V128 PolarHBondContact O-N 2.92Å; I47-V128 HydrophobicContact CD1-CG2 4.47Å; L91-V128 HydrophobicContact CD1-CB 4.33Å; L91-V128 HydrophobicContact CD1-CG1 4.1Å; L91-V128 HydrophobicContact CD1-CG2 4.34Å; L91-V128 HydrophobicContact CD2-CG1 4.48Å; I97-V128 HydrophobicContact CG1-CG1 4.41Å; I97-V128 HydrophobicContact CG2-CG1 3.73Å; I100-V128 HydrophobicContact CG1-CG1 4.47Å; I100-V128 HydrophobicContact CG2-CG2 4.49Å; I126-V128 HydrophobicContact CD1-CG2 3.8Å; I126-V128 HydrophobicContact CG1-CG2 4.13Å
129	M	91.6	Very high	87	Confident	56 Å²	56	65 Å²	65	28%	0.276	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	122.6	167.6	-55.3	-179.2	64.6	0	0	108.3	I42 K43 T44 L98 R99	I42-M129 HydrophobicContact CG2-CB 4.33Å; I42-M129 HydrophobicContact CG2-CE 4Å; K43-M129 WeakPolarHBondContact O-CA 3.36Å; T44-M129 HydrophobicContact CG2-CG 4.14Å; L98-M129 PolarHBondContact N-O 2.77Å; R99-M129 HydrophobicContact CB-CB 4.04Å; R99-M129 HydrophobicContact CB-CG 4.24Å; R99-M129 HydrophobicContact CB-SD 4.13Å; R99-M129 HydrophobicContact CG-SD 4.43Å; R99-M129 PolarHBondContact N-O 2.84Å; R99-M129 PolarHBondContact O-N 2.81Å
130	Y	91.3	Very high	86.8	Confident	17 Å²	17	58.9 Å²	58.9	7%	0.067	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	161.9	-175.7	72.1	-77.7	0	0	0	111.2	K43 V45 R90 L91 D95 L96 P132	K43-Y130 HydrophobicContact CB-CD1 4.29Å; K43-Y130 HydrophobicContact CB-CE1 3.69Å; K43-Y130 HydrophobicContact CB-CE2 4.22Å; K43-Y130 PolarHBondContact N-O 2.69Å; K43-Y130 WeakPolarHBondContact O-CD1 3.32Å; K43-Y130 PolarHBondContact O-N 3.31Å; V45-Y130 HydrophobicContact CB-CE1 4.31Å; V45-Y130 HydrophobicContact CG1-CE1 3.72Å; V45-Y130 HydrophobicContact CG2-CD1 4.07Å; V45-Y130 HydrophobicContact CG2-CE1 3.73Å; R90-Y130 PolarHBondContact O-OH 2.86Å; L91-Y130 HydrophobicContact CD2-CD1 3.4Å; L91-Y130 VanDerWaalsContact CD2-CD1 3.4Å; L91-Y130 HydrophobicContact CD2-CD2 3.74Å; L91-Y130 HydrophobicContact CD2-CE1 3.62Å; L91-Y130 HydrophobicContact CD2-CE2 3.95Å; L91-Y130 HydrophobicContact CD2-CG 3.47Å; L91-Y130 VanDerWaalsContact CD2-CG 3.47Å; D95-Y130 HydrophobicContact CB-CD2 3.98Å; L96-Y130 CarbonylContact O-C 3.48Å; L96-Y130 WeakPolarHBondContact O-CA 3.43Å; L96-Y130 WeakPolarHBondContact O-CB 3.39Å; Y130-P132 HydrophobicContact CE2-CG 4.06Å
131	V	90.4	Very high	86.7	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	121.9	170.2	178.8	0	0	0	0	106.9	I42 L96 L98 D135 I136 Y139	I42-V131 HydrophobicContact CG1-CG2 4.09Å; L96-V131 HydrophobicContact CB-CB 4.2Å; L96-V131 HydrophobicContact CD2-CB 4.45Å; L96-V131 PolarHBondContact N-O 2.93Å; L96-V131 PolarHBondContact O-N 3.12Å; L98-V131 HydrophobicContact CD1-CG2 3.68Å; L98-V131 HydrophobicContact CG-CG2 4.12Å; V131-D135 HydrophobicContact CG1-CB 3.87Å; V131-I136 HydrophobicContact CG1-CG1 4.19Å; V131-Y139 HydrophobicContact CG1-CD2 4.49Å; V131-Y139 HydrophobicContact CG1-CG 4.26Å; V131-Y139 HydrophobicContact CG2-CD1 4.48Å; V131-Y139 HydrophobicContact CG2-CD2 3.55Å; V131-Y139 HydrophobicContact CG2-CE2 3.8Å; V131-Y139 HydrophobicContact CG2-CG 3.92Å
132	P	90.7	Very high	86.6	Confident	7 Å²	7	66.2 Å²	66.2	5%	0.045	33%	0.327	C	S	.	.			trans	-54.7	147.3	173.7	-25.8	35	0	0	0	112.2	L41 K43 D95 Y130 E134 D135 I136	L41-P132 WeakPolarHBondContact O-CD 3.48Å; K43-P132 HydrophobicContact CD-CG 3.49Å; K43-P132 VanDerWaalsContact CD-CG 3.49Å; K43-P132 HydrophobicContact CG-CG 3.93Å; K43-P132 VanDerWaalsContact NZ-CG 3.32Å; D95-P132 WeakPolarHBondContact OD1-CA 3.41Å; Y130-P132 HydrophobicContact CE2-CG 4.06Å; P132-E134 HydrophobicContact CB-CG 3.65Å; P132-E134 PolarHBondContact O-N 3.07Å; P132-E134 VanDerWaalsContact O-N 3.12Å; P132-D135 PolarHBondContact O-N 2.96Å; P132-I136 WeakPolarHBondContact O-CG1 3.37Å; P132-I136 PolarHBondContact O-N 3.43Å
133	A	89.3	Confident	86.4	Confident	50 Å²	50	60.9 Å²	60.9	41%	0.413	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-50.1	-39.2	179.2	0	0	0	0	0	114.2	D95 D135 I136	D95-A133 PolarHBondContact OD1-N 3.44Å; A133-D135 PolarHBondContact O-N 2.58Å; A133-I136 HydrophobicContact CB-CD1 4.49Å; A133-I136 PolarHBondContact O-N 3.09Å
134	E	87	Confident	85.9	Confident	132 Å²	132	63.3 Å²	63.3	62%	0.617	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-59.2	-28.7	176.6	56	-174.5	-178.5	0	0	114.2	K43 P132	K43-E134 IonicContact NZ-OE1 3.49Å; K43-E134 PolarHBondContact NZ-OE1 3.27Å; K43-E134 VanDerWaalsContact NZ-OE1 3.11Å; P132-E134 HydrophobicContact CB-CG 3.65Å; P132-E134 PolarHBondContact O-N 3.07Å; P132-E134 VanDerWaalsContact O-N 3.12Å
135	D	87.3	Confident	85.2	Confident	14 Å²	14	58.8 Å²	58.8	8%	0.075	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-107	-0.4	-172.8	-75.1	-34.2	0	0	0	112.7	L41 V131 P132 A133 E137 K138 Y139	L41-D135 HydrophobicContact CB-CB 4.46Å; L41-D135 HydrophobicContact CD2-CB 3.8Å; V131-D135 HydrophobicContact CG1-CB 3.87Å; P132-D135 PolarHBondContact O-N 2.96Å; A133-D135 PolarHBondContact O-N 2.58Å; D135-E137 VanDerWaalsContact C-N 3.31Å; D135-E137 PolarHBondContact O-N 3.03Å; D135-K138 PolarHBondContact O-N 2.78Å; D135-K138 IonicContact OD1-NZ 2.75Å; D135-K138 PolarHBondContact OD1-NZ 2.8Å; D135-Y139 VanDerWaalsContact O-CB 3.3Å; D135-Y139 WeakPolarHBondContact O-CB 3.42Å; D135-Y139 PolarHBondContact O-N 2.91Å
136	I	86.3	Confident	84.1	Confident	36 Å²	36	60.6 Å²	60.6	19%	0.185	29%	0.293	C	S	.	.	H	α-helix	trans	-60.8	-40.9	-178.8	-68.2	179.2	0	0	0	111.6	G94 L96 V131 P132 A133 Y139 A140	G94-I136 WeakPolarHBondContact O-CD1 3.28Å; L96-I136 HydrophobicContact CB-CD1 3.84Å; L96-I136 HydrophobicContact CB-CG1 4.01Å; V131-I136 HydrophobicContact CG1-CG1 4.19Å; P132-I136 WeakPolarHBondContact O-CG1 3.37Å; P132-I136 PolarHBondContact O-N 3.43Å; A133-I136 HydrophobicContact CB-CD1 4.49Å; A133-I136 PolarHBondContact O-N 3.09Å; I136-Y139 PolarHBondContact O-N 2.91Å; I136-A140 WeakPolarHBondContact O-CB 3.3Å; I136-A140 PolarHBondContact O-N 3.1Å
137	E	83.4	Confident	82.6	Confident	155 Å²	155	64 Å²	64	72%	0.724	32%	0.317	S	S	*	.	H	α-helix	trans	-65.4	-45.9	178.7	-66.4	-176	179.5	0	0	111.2	D135 Y139 A140 L141	D135-E137 VanDerWaalsContact C-N 3.31Å; D135-E137 PolarHBondContact O-N 3.03Å; E137-Y139 VanDerWaalsContact C-N 3.31Å; E137-Y139 PolarHBondContact O-N 2.86Å; E137-A140 PolarHBondContact O-N 3.24Å; E137-L141 WeakPolarHBondContact O-CB 3.42Å; E137-L141 WeakPolarHBondContact O-CG 3.29Å; E137-L141 PolarHBondContact O-N 3.12Å
138	K	84.7	Confident	80.8	Confident	116 Å²	116	61.8 Å²	61.8	50%	0.504	32%	0.315	S	S	.	.	H	α-helix	trans	-60.6	-42.3	175.1	-60.3	177.9	-163.2	152.4	0	111	L41 D135 L141 Y142	L41-K138 HydrophobicContact CD1-CB 3.95Å; L41-K138 HydrophobicContact CD2-CB 3.98Å; L41-K138 HydrophobicContact CD2-CD 3.86Å; D135-K138 PolarHBondContact O-N 2.78Å; D135-K138 IonicContact OD1-NZ 2.75Å; D135-K138 PolarHBondContact OD1-NZ 2.8Å; K138-L141 PolarHBondContact O-N 2.82Å; K138-Y142 VanDerWaalsContact O-CB 3.25Å; K138-Y142 WeakPolarHBondContact O-CB 3.24Å; K138-Y142 PolarHBondContact O-N 2.84Å
139	Y	84.3	Confident	78.8	Confident	2 Å²	2	69.6 Å²	69.6	1%	0.008	35%	0.351	C	S	.	.	H	α-helix	trans	-63	-42.8	176.1	178.9	-92.3	0	0	0	111.9	L37 I42 L96 L98 V131 D135 I136 E137 Y142 R143	L37-Y139 HydrophobicContact CD2-CD2 3.96Å; L37-Y139 HydrophobicContact CD2-CE2 3.39Å; I42-Y139 HydrophobicContact CD1-CE2 4.32Å; I42-Y139 HydrophobicContact CG1-CE2 4.41Å; L96-Y139 HydrophobicContact CD2-CD1 3.89Å; L96-Y139 HydrophobicContact CD2-CE1 3.97Å; L98-Y139 HydrophobicContact CD1-CE2 3.68Å; L98-Y139 HydrophobicContact CD2-CE1 4.06Å; L98-Y139 HydrophobicContact CD2-CE2 4.35Å; L98-Y139 WeakPolarHBondContact CD2-OH 3.38Å; V131-Y139 HydrophobicContact CG1-CD2 4.49Å; V131-Y139 HydrophobicContact CG1-CG 4.26Å; V131-Y139 HydrophobicContact CG2-CD1 4.48Å; V131-Y139 HydrophobicContact CG2-CD2 3.55Å; V131-Y139 HydrophobicContact CG2-CE2 3.8Å; V131-Y139 HydrophobicContact CG2-CG 3.92Å; D135-Y139 VanDerWaalsContact O-CB 3.3Å; D135-Y139 WeakPolarHBondContact O-CB 3.42Å; D135-Y139 PolarHBondContact O-N 2.91Å; I136-Y139 PolarHBondContact O-N 2.91Å; E137-Y139 VanDerWaalsContact C-N 3.31Å; E137-Y139 PolarHBondContact O-N 2.86Å; Y139-Y142 PolarHBondContact O-N 2.91Å; Y139-R143 WeakPolarHBondContact O-CB 2.9Å; Y139-R143 PolarHBondContact O-N 3.05Å
140	A	82.5	Confident	76.8	Confident	38 Å²	38	72.1 Å²	72.1	31%	0.314	37%	0.374	S	S	.	.	H	α-helix	trans	-65.5	-43.1	176.7	0	0	0	0	0	111.8	I136 E137 R143 K144	I136-A140 WeakPolarHBondContact O-CB 3.3Å; I136-A140 PolarHBondContact O-N 3.1Å; E137-A140 PolarHBondContact O-N 3.24Å; A140-R143 PolarHBondContact O-N 3.15Å; A140-K144 WeakPolarHBondContact O-CB 3.49Å; A140-K144 PolarHBondContact O-N 2.78Å
141	L	81.8	Confident	74.5	Confident	106 Å²	106	74.3 Å²	74.3	56%	0.555	39%	0.392	S	S	*	.	H	α-helix	trans	-62.3	-47.7	174.2	-73.5	172.7	0	0	0	111.5	E137 K138 R143 K144 N145	E137-L141 WeakPolarHBondContact O-CB 3.42Å; E137-L141 WeakPolarHBondContact O-CG 3.29Å; E137-L141 PolarHBondContact O-N 3.12Å; K138-L141 PolarHBondContact O-N 2.82Å; L141-R143 VanDerWaalsContact C-N 3.31Å; L141-R143 PolarHBondContact O-N 2.91Å; L141-K144 PolarHBondContact O-N 2.76Å; L141-N145 WeakPolarHBondContact O-CB 3.42Å; L141-N145 PolarHBondContact O-N 2.91Å; L141-N145 PolarHBondContact O-ND2 3.27Å
142	Y	78.8	Confident	72	Confident	68 Å²	68	77.9 Å²	77.9	27%	0.267	42%	0.416	S	S	.	.	H	α-helix	trans	-57	-47.1	177.2	-178.2	-88.9	0	0	0	111.1	Q36 L37 P38 K138 Y139 N145 M146	Q36-Y142 PolarHBondContact O-OH 2.85Å; L37-Y142 HydrophobicContact CB-CE1 4.2Å; L37-Y142 HydrophobicContact CD2-CD1 3.8Å; L37-Y142 HydrophobicContact CD2-CE1 3.98Å; L37-Y142 HydrophobicContact CG-CD1 4.21Å; L37-Y142 HydrophobicContact CG-CE1 3.86Å; P38-Y142 HydrophobicContact CG-CD1 4.38Å; P38-Y142 HydrophobicContact CG-CD2 3.44Å; P38-Y142 VanDerWaalsContact CG-CD2 3.44Å; P38-Y142 HydrophobicContact CG-CE1 4.41Å; P38-Y142 HydrophobicContact CG-CE2 3.45Å; P38-Y142 VanDerWaalsContact CG-CE2 3.45Å; P38-Y142 HydrophobicContact CG-CG 3.92Å; K138-Y142 VanDerWaalsContact O-CB 3.25Å; K138-Y142 WeakPolarHBondContact O-CB 3.24Å; K138-Y142 PolarHBondContact O-N 2.84Å; Y139-Y142 PolarHBondContact O-N 2.91Å; Y142-N145 PolarHBondContact O-N 2.97Å; Y142-M146 HydrophobicContact CE1-CE 4.07Å; Y142-M146 HydrophobicContact CE1-CG 4.08Å; Y142-M146 HydrophobicContact CE1-SD 3.67Å; Y142-M146 PolarHBondContact O-N 2.9Å; Y142-M146 VanDerWaalsContact OH-CE 3.3Å; Y142-M146 WeakPolarHBondContact OH-CE 3.47Å
143	R	76.7	Confident	69.9	Low	39 Å²	39	81.3 Å²	81.3	15%	0.147	44%	0.44	C	S	.	.	H	α-helix	trans	-65.1	-42.9	179.2	-168.8	179.9	-167.8	154.5	-7.8	112.4	I71 N72 Y107 Y139 A140 L141 N145 M146 S147	I71-R143 PolarHBondContact O-NH1 3.03Å; I71-R143 PolarHBondContact O-NH2 2.79Å; N72-R143 VanDerWaalsContact CA-NH1 3.33Å; Y107-R143 VanDerWaalsContact CZ-NH2 3.32Å; Y107-R143 PolarHBondContact OH-NH2 2.93Å; Y139-R143 WeakPolarHBondContact O-CB 2.9Å; Y139-R143 PolarHBondContact O-N 3.05Å; A140-R143 PolarHBondContact O-N 3.15Å; L141-R143 VanDerWaalsContact C-N 3.31Å; L141-R143 PolarHBondContact O-N 2.91Å; R143-N145 VanDerWaalsContact C-N 3.28Å; R143-N145 PolarHBondContact O-N 3.11Å; R143-M146 PolarHBondContact O-N 3.29Å; R143-S147 PolarHBondContact O-N 3.05Å; R143-S147 PolarHBondContact O-OG 3.13Å
144	K	75.4	Confident	68.1	Low	134 Å²	134	83.6 Å²	83.6	58%	0.583	45%	0.453	S	S	*	.	H	α-helix	trans	-61.3	-39.6	175.3	-171.4	177.1	-179.5	-179.9	0	111	A140 L141 S147 N148	A140-K144 WeakPolarHBondContact O-CB 3.49Å; A140-K144 PolarHBondContact O-N 2.78Å; L141-K144 PolarHBondContact O-N 2.76Å; K144-S147 WeakPolarHBondContact CA-OG 3.38Å; K144-S147 PolarHBondContact O-N 2.62Å; K144-S147 PolarHBondContact O-OG 3.01Å; K144-N148 PolarHBondContact O-N 3.26Å; K144-N148 PolarHBondContact O-ND2 3.06Å; K144-N148 VanDerWaalsContact O-ND2 3.16Å
145	N	70.1	Confident	66.2	Low	87 Å²	87	82.6 Å²	82.6	47%	0.465	45%	0.451	S	S	.	.	H	α-helix	trans	-68.6	-35.7	176.1	-70.4	-11.2	0	0	0	112.1	L141 Y142 R143 N148 H149	L141-N145 WeakPolarHBondContact O-CB 3.42Å; L141-N145 PolarHBondContact O-N 2.91Å; L141-N145 PolarHBondContact O-ND2 3.27Å; Y142-N145 PolarHBondContact O-N 2.97Å; R143-N145 VanDerWaalsContact C-N 3.28Å; R143-N145 PolarHBondContact O-N 3.11Å; N145-N148 CarbonylContact O-C 3.56Å; N145-N148 PolarHBondContact O-N 3.07Å; N145-N148 VanDerWaalsContact O-N 3.17Å; N145-H149 PolarHBondContact O-N 2.75Å
146	M	63	Low	64.4	Low	80 Å²	80	85.3 Å²	85.3	39%	0.394	48%	0.476	S	S	.	.	H	α-helix	trans	-66.3	-38.7	173.9	-112.2	-168.6	174.4	0	0	112.7	Q36 Y142 R143 N148 H149 S150	Q36-M146 WeakPolarHBondContact O-CE 3.41Å; Y142-M146 HydrophobicContact CE1-CE 4.07Å; Y142-M146 HydrophobicContact CE1-CG 4.08Å; Y142-M146 HydrophobicContact CE1-SD 3.67Å; Y142-M146 PolarHBondContact O-N 2.9Å; Y142-M146 VanDerWaalsContact OH-CE 3.3Å; Y142-M146 WeakPolarHBondContact OH-CE 3.47Å; R143-M146 PolarHBondContact O-N 3.29Å; M146-N148 VanDerWaalsContact C-N 3.26Å; M146-N148 PolarHBondContact O-N 3.36Å; M146-H149 PolarHBondContact O-N 3.34Å; M146-S150 PolarHBondContact O-N 2.87Å; M146-S150 PolarHBondContact O-OG 3.48Å; M146-S150 VanDerWaalsContact O-OG 3.12Å
147	S	58.5	Low	62.7	Low	73 Å²	73	92.8 Å²	92.8	51%	0.51	51%	0.507	S	S	.	.	H	α-helix	trans	-64.6	-33.9	171.2	46	0	0	0	0	111.9	R143 K144	R143-S147 PolarHBondContact O-N 3.05Å; R143-S147 PolarHBondContact O-OG 3.13Å; K144-S147 WeakPolarHBondContact CA-OG 3.38Å; K144-S147 PolarHBondContact O-N 2.62Å; K144-S147 PolarHBondContact O-OG 3.01Å
148	N	53.3	Low	60.8	Low	84 Å²	84	91.5 Å²	91.5	45%	0.449	51%	0.505	S	S	.	.	H	α-helix	trans	-77.5	-22.7	178.5	-65.5	-20.8	0	0	0	113.5	K144 N145 M146 S151	K144-N148 PolarHBondContact O-N 3.26Å; K144-N148 PolarHBondContact O-ND2 3.06Å; K144-N148 VanDerWaalsContact O-ND2 3.16Å; N145-N148 CarbonylContact O-C 3.56Å; N145-N148 PolarHBondContact O-N 3.07Å; N145-N148 VanDerWaalsContact O-N 3.17Å; M146-N148 VanDerWaalsContact C-N 3.26Å; M146-N148 PolarHBondContact O-N 3.36Å; N148-S151 VanDerWaalsContact O-O 3.06Å; N148-S151 PolarHBondContact O-OG 2.71Å
149	H	48.1	Very low	58.9	Low	168 Å²	168	89.5 Å²	89.5	78%	0.778	51%	0.506	S	S	*	.	H	α-helix	trans	-87.1	-6.4	175.4	-94.5	-82.3	0	0	0	114.3	N145 M146	N145-H149 PolarHBondContact O-N 2.75Å; M146-H149 PolarHBondContact O-N 3.34Å
150	S	48.6	Very low	57.1	Low	108 Å²	108	96.6 Å²	96.6	76%	0.755	54%	0.543	S	S	*	.	S	Bend	trans	-83.7	-19.6	167.6	-50	0	0	0	0	112	M146	M146-S150 PolarHBondContact O-N 2.87Å; M146-S150 PolarHBondContact O-OG 3.48Å; M146-S150 VanDerWaalsContact O-OG 3.12Å
151	S	44.6	Very low	55.5	Low	63 Å²	63	105.7 Å²	105.7	44%	0.441	57%	0.569	S	S	.	*	S	Bend	trans	-91.4	99.5	164.9	43.3	0	0	0	0	108.3	N148 S153	N148-S151 VanDerWaalsContact O-O 3.06Å; N148-S151 PolarHBondContact O-OG 2.71Å; S151-S153 PolarHBondContact O-N 3.49Å
152	C	37.4	Very low	53.6	Low	75 Å²	75	105.7 Å²	105.7	51%	0.507	58%	0.578	S	S	.	*			trans	-67.3	66.1	166.1	-156.2	0	0	0	0	110.9	S154 L155 A156	C152-S154 PolarHBondContact O-N 3.42Å; C152-L155 HydrophobicContact CB-CB 4.5Å; C152-L155 WeakPolarHBondContact SG-CB 3.12Å; C152-L155 WeakPolarHBondContact SG-CD1 3.31Å; C152-L155 WeakPolarHBondContact SG-CG 3.36Å; C152-A156 PolarHBondContact O-N 2.7Å
153	S	47.4	Very low	52.3	Low	80 Å²	80	110.7 Å²	110.7	56%	0.559	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-14	174.9	56.9	0	0	0	0	111.9	S151	S151-S153 PolarHBondContact O-N 3.49Å
154	S	50.2	Low	51.4	Low	98 Å²	98	114.1 Å²	114.1	69%	0.685	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-15.8	173.7	-55.1	0	0	0	0	113.8	C152	C152-S154 PolarHBondContact O-N 3.42Å
155	L	48.4	Very low	50.4	Low	110 Å²	110	115.6 Å²	115.6	58%	0.576	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-15.7	163.7	-67.3	177.5	0	0	0	112.7	C152 K157 L158	C152-L155 HydrophobicContact CB-CB 4.5Å; C152-L155 WeakPolarHBondContact SG-CB 3.12Å; C152-L155 WeakPolarHBondContact SG-CD1 3.31Å; C152-L155 WeakPolarHBondContact SG-CG 3.36Å; L155-K157 PolarHBondContact O-N 3.04Å; L155-L158 HydrophobicContact CD2-CB 4.29Å; L155-L158 HydrophobicContact CD2-CD1 3.54Å; L155-L158 HydrophobicContact CD2-CG 4.39Å; L155-L158 CarbonylContact O-C 3.53Å; L155-L158 PolarHBondContact O-N 3.47Å
156	A	48.6	Very low	49.1	Very low	72 Å²	72	121.9 Å²	121.9	60%	0.595	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-65.9	-21.4	169.4	0	0	0	0	0	112.7	C152	C152-A156 PolarHBondContact O-N 2.7Å
157	K	50.7	Low	48.1	Very low	192 Å²	192	128.9 Å²	128.9	84%	0.835	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-90	-3.4	169.4	-84.2	-178.4	177	176.4	0	114.5	L155 S159	L155-K157 PolarHBondContact O-N 3.04Å; K157-S159 VanDerWaalsContact C-N 3.34Å
158	L	42.9	Very low	47.7	Very low	129 Å²	129	138.5 Å²	138.5	68%	0.675	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-101.7	20.9	167.2	-66	176.8	0	0	0	111.4	L155 L160	L155-L158 HydrophobicContact CD2-CB 4.29Å; L155-L158 HydrophobicContact CD2-CD1 3.54Å; L155-L158 HydrophobicContact CD2-CG 4.39Å; L155-L158 CarbonylContact O-C 3.53Å; L155-L158 PolarHBondContact O-N 3.47Å; L158-L160 VanDerWaalsContact C-N 3.27Å; L158-L160 PolarHBondContact O-N 2.92Å
159	S	45.4	Very low	47.5	Very low	74 Å²	74	141.3 Å²	141.3	52%	0.517	74%	0.736	S	S	.	*			trans	-71.3	84.4	165.4	-176.3	0	0	0	0	109.4	K157 R161	K157-S159 VanDerWaalsContact C-N 3.34Å; S159-R161 PolarHBondContact O-N 2.83Å
160	L	46	Very low	47.4	Very low	151 Å²	151	139.8 Å²	139.8	79%	0.791	73%	0.733	S	S	*	*			trans	-71.7	66.3	155.8	-72.2	169.7	0	0	0	108.4	L158	L158-L160 VanDerWaalsContact C-N 3.27Å; L158-L160 PolarHBondContact O-N 2.92Å
161	R	48.6	Very low	47.4	Very low	228 Å²	228	141.6 Å²	141.6	86%	0.86	73%	0.732	S	S	*	*			trans	-131.4	39.6	170.1	-90.1	-179	165.5	-112.6	0.5	110.9	S159	S159-R161 PolarHBondContact O-N 2.83Å
162	S	43.3	Very low	47.5	Very low	106 Å²	106	146.2 Å²	146.2	74%	0.741	75%	0.749	S	S	*	*			trans	-119.4	75	155.8	70	0	0	0	0	108.4
163	F	51.2	Low	48.2	Very low	174 Å²	174	150.7 Å²	150.7	76%	0.763	77%	0.765	S	S	*	*			trans	-92.8	117.4	153.7	-75.2	-73.4	0	0	0	106
164	P	57.3	Low	48.2	Very low	110 Å²	110	155.4 Å²	155.4	71%	0.714	78%	0.778	S	S	*	*			trans	-60.2	138.1	174.9	24.6	-30.6	0	0	0	109.1	Y166	P164-Y166 PolarHBondContact O-N 3.13Å
165	D	55.1	Low	48.1	Very low	165 Å²	165	159.5 Å²	159.5	88%	0.882	79%	0.785	S	S	*	*			trans	-51.7	105.6	177.1	-69.3	-60.4	0	0	0	110.3	Y167	D165-Y167 VanDerWaalsContact C-N 3.31Å; D165-Y167 PolarHBondContact O-N 3.42Å
166	Y	42.3	Very low	48	Very low	219 Å²	219	163.3 Å²	163.3	86%	0.859	80%	0.801	S	S	*	*			trans	-98	53	174.6	-144.9	-82.8	0	0	0	109.3	P164	P164-Y166 PolarHBondContact O-N 3.13Å
167	Y	42	Very low	48	Very low	228 Å²	228	170.9 Å²	170.9	89%	0.894	82%	0.818	S	S	*	*			trans	-155.9	83.2	170.5	-76.5	-71.9	0	0	0	110.6	D165	D165-Y167 VanDerWaalsContact C-N 3.31Å; D165-Y167 PolarHBondContact O-N 3.42Å
168	Q	51.1	Low	47.7	Very low	275 Å²	275	169 Å²	169	100%	1.285	82%	0.817	S	S	*	*			trans	-148.4	0	143.6	-84.9	-155.7	-29.4	0	0	109

Retrieved 168 of 168 residues in 147.8 ms (Link to these results)

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