A0A3Q0KBG4_SCHMA Loading...

Large ribosomal subunit protein mL50

AlphaFold DB , UniProt , Accession A0A3Q0KBG4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 211 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.9	Very low	35.6	Very low	224 Å²	224	154.1 Å²	154.1	100%	1.103	80%	0.799	S	S	*	*				0	86.4	0	-93.4	-173.2	176.4	0	0	109	R3	M1-R3 PolarHBondContact O-N 2.9Å
2	L	35	Very low	35.5	Very low	160 Å²	160	151.4 Å²	151.4	84%	0.838	79%	0.786	S	S	*	*			trans	-90.7	96.7	171.5	-84	145.3	0	0	0	107.4	Y4	L2-Y4 PolarHBondContact O-N 2.99Å; L2-Y4 VanDerWaalsContact O-N 3.13Å
3	R	31.4	Very low	35.2	Very low	223 Å²	223	155.5 Å²	155.5	84%	0.842	79%	0.794	S	S	*	*			trans	-72.1	100.3	175.3	-71.3	-173.4	175.9	-162.4	-0.5	107.9	M1 A5	M1-R3 PolarHBondContact O-N 2.9Å; R3-A5 PolarHBondContact O-N 3.15Å; R3-A5 VanDerWaalsContact O-N 3.12Å
4	Y	39.2	Very low	35.5	Very low	212 Å²	212	154.5 Å²	154.5	83%	0.831	79%	0.789	S	S	*	*			trans	-62.3	111.6	167.2	-73.7	-87.9	0	0	0	108.5	L2 V6	L2-Y4 PolarHBondContact O-N 2.99Å; L2-Y4 VanDerWaalsContact O-N 3.13Å; Y4-V6 PolarHBondContact O-N 2.84Å
5	A	38.6	Very low	35.6	Very low	99 Å²	99	150.2 Å²	150.2	82%	0.818	78%	0.775	S	S	*	*			trans	-68.8	97	170.3	0	0	0	0	0	107.9	R3 C7	R3-A5 PolarHBondContact O-N 3.15Å; R3-A5 VanDerWaalsContact O-N 3.12Å; A5-C7 VanDerWaalsContact C-N 3.31Å; A5-C7 PolarHBondContact O-N 2.74Å
6	V	39	Very low	35.6	Very low	128 Å²	128	150.2 Å²	150.2	78%	0.776	78%	0.775	S	S	*	*			trans	-67.2	96.3	167.6	-179.9	0	0	0	0	106.5	Y4 N8	Y4-V6 PolarHBondContact O-N 2.84Å; V6-N8 PolarHBondContact O-N 2.68Å
7	C	34	Very low	35.7	Very low	105 Å²	105	148 Å²	148	71%	0.709	76%	0.764	S	S	*	*			trans	-63.8	105	172	-165	0	0	0	0	107.4	A5 I9	A5-C7 VanDerWaalsContact C-N 3.31Å; A5-C7 PolarHBondContact O-N 2.74Å; C7-I9 PolarHBondContact O-N 3Å
8	N	29.6	Very low	36	Very low	124 Å²	124	145.2 Å²	145.2	66%	0.663	76%	0.759	S	S	*	*			trans	-74	75.7	-177	-145.4	-15.8	0	0	0	108	V6 K10	V6-N8 PolarHBondContact O-N 2.68Å; N8-K10 PolarHBondContact O-N 2.73Å
9	I	38.1	Very low	36	Very low	130 Å²	130	145.4 Å²	145.4	67%	0.667	76%	0.762	S	S	*	*			trans	-74.6	69.1	171.7	-56.6	170.6	0	0	0	107.5	C7 C11	C7-I9 PolarHBondContact O-N 3Å; I9-C11 PolarHBondContact O-N 2.9Å
10	K	34.5	Very low	35.7	Very low	173 Å²	173	143.4 Å²	143.4	75%	0.752	76%	0.759	S	S	*	*			trans	-83.4	65.5	160.4	-77.6	-177.7	177	-177.8	0	108.3	N8	N8-K10 PolarHBondContact O-N 2.73Å
11	C	33.4	Very low	35.6	Very low	117 Å²	117	144.7 Å²	144.7	79%	0.791	77%	0.765	S	S	*	*			trans	-173.1	41.2	164.5	-111.4	0	0	0	0	115.4	I9	I9-C11 PolarHBondContact O-N 2.9Å
12	L	34.6	Very low	35.3	Very low	122 Å²	122	138.9 Å²	138.9	64%	0.639	75%	0.747	S	S	*	*			trans	-137.5	70.4	157.2	-74.5	172.6	0	0	0	108.5	I14	L12-I14 PolarHBondContact O-N 2.99Å
13	K	31.6	Very low	35.2	Very low	205 Å²	205	136.5 Å²	136.5	89%	0.891	74%	0.739	S	S	*	*			trans	-61.8	95.6	154.5	-91.9	175.4	174.4	176.5	0	105.4	P15	K13-P15 WeakPolarHBondContact O-CD 3.5Å
14	I	38.7	Very low	35.5	Very low	141 Å²	141	130.7 Å²	130.7	72%	0.723	73%	0.732	S	S	*	*			trans	-66.2	109.2	157.2	-59.6	160.3	0	0	0	103.4	L12 I16	L12-I14 PolarHBondContact O-N 2.99Å; I14-I16 VanDerWaalsContact C-N 3.33Å; I14-I16 PolarHBondContact O-N 2.83Å
15	P	37.2	Very low	35.3	Very low	90 Å²	90	128.3 Å²	128.3	58%	0.584	73%	0.729	S	S	*	*			trans	-63.5	107	169.2	27.6	-30	0	0	0	105.5	K13 L17	K13-P15 WeakPolarHBondContact O-CD 3.5Å; P15-L17 HydrophobicContact CB-CD2 4.28Å; P15-L17 HydrophobicContact CB-CG 4.44Å; P15-L17 PolarHBondContact O-N 3.19Å
16	I	35.4	Very low	35.4	Very low	150 Å²	150	127.6 Å²	127.6	77%	0.769	72%	0.717	S	S	*	*			trans	-61.9	95.1	160.4	-53.9	165	0	0	0	103	I14 S18	I14-I16 VanDerWaalsContact C-N 3.33Å; I14-I16 PolarHBondContact O-N 2.83Å; I16-S18 PolarHBondContact O-N 2.73Å
17	L	38.3	Very low	35.6	Very low	113 Å²	113	129 Å²	129	59%	0.592	72%	0.721	S	S	*	*			trans	-70.1	73.6	178.4	-71.3	172.2	0	0	0	108.3	P15 N19	P15-L17 HydrophobicContact CB-CD2 4.28Å; P15-L17 HydrophobicContact CB-CG 4.44Å; P15-L17 PolarHBondContact O-N 3.19Å; L17-N19 PolarHBondContact O-N 3.33Å
18	S	41.1	Very low	35.9	Very low	97 Å²	97	131.5 Å²	131.5	68%	0.678	72%	0.722	S	S	*	*			trans	-73.4	77.4	152.9	60	0	0	0	0	107.1	I16	I16-S18 PolarHBondContact O-N 2.73Å
19	N	35.8	Very low	36.6	Very low	150 Å²	150	131 Å²	131	80%	0.802	73%	0.726	S	S	*	*			trans	167	76.4	158.2	-87.3	-8.9	0	0	0	110.3	L17	L17-N19 PolarHBondContact O-N 3.33Å
20	C	30.3	Very low	37	Very low	105 Å²	105	131.9 Å²	131.9	71%	0.709	72%	0.724	S	S	*	*			trans	-145.3	18.6	157.8	-91.5	0	0	0	0	113.1	S22	C20-S22 VanDerWaalsContact C-N 3.3Å
21	L	32	Very low	37.8	Very low	171 Å²	171	129.5 Å²	129.5	90%	0.895	72%	0.724	S	S	*	*			trans	-96.3	55.7	158.9	-82.6	118.5	0	0	0	109.6
22	S	33.5	Very low	39.2	Very low	102 Å²	102	132.3 Å²	132.3	71%	0.713	72%	0.72	S	S	*	*			trans	-90.9	90.7	157.6	43.1	0	0	0	0	107.5	C20 S24	C20-S22 VanDerWaalsContact C-N 3.3Å; S22-S24 PolarHBondContact O-N 2.81Å
23	T	33.2	Very low	40.8	Very low	109 Å²	109	127.6 Å²	127.6	67%	0.669	70%	0.7	S	S	*	*			trans	-73.7	80.1	167.7	50.3	0	0	0	0	109	H25	T23-H25 PolarHBondContact O-N 3.2Å; T23-H25 VanDerWaalsContact O-N 3.15Å
24	S	36.7	Very low	43.1	Very low	101 Å²	101	118.7 Å²	118.7	71%	0.706	66%	0.661	S	S	*	*			trans	-69.9	106.3	159.5	53.1	0	0	0	0	107.6	S22 S26	S22-S24 PolarHBondContact O-N 2.81Å; S24-S26 VanDerWaalsContact C-N 3.29Å; S24-S26 PolarHBondContact O-N 3.24Å
25	H	36.6	Very low	45	Very low	163 Å²	163	116.3 Å²	116.3	76%	0.755	65%	0.653	S	S	*	*			trans	-69.9	87.4	168.9	-85.1	57.6	0	0	0	108.6	T23	T23-H25 PolarHBondContact O-N 3.2Å; T23-H25 VanDerWaalsContact O-N 3.15Å
26	S	39.4	Very low	47.1	Very low	83 Å²	83	114.8 Å²	114.8	58%	0.58	65%	0.645	S	S	*	*			trans	-91	118.4	155.6	50.4	0	0	0	0	107.7	S24 E28	S24-S26 VanDerWaalsContact C-N 3.29Å; S24-S26 PolarHBondContact O-N 3.24Å; S26-E28 PolarHBondContact O-N 3.27Å
27	N	43.5	Very low	49.4	Very low	159 Å²	159	113.1 Å²	113.1	85%	0.85	63%	0.629	S	S	*	*			trans	-74.7	47.5	178.8	-70.1	-27.6	0	0	0	112
28	E	39.9	Very low	51.4	Low	156 Å²	156	108 Å²	108	73%	0.729	60%	0.602	S	S	*	*	S	Bend	trans	-88.1	141.1	161.9	-68.5	-162.9	169.4	0	0	108.3	S26 K30	S26-E28 PolarHBondContact O-N 3.27Å; E28-K30 PolarHBondContact O-N 2.85Å
29	P	45	Very low	53.4	Low	114 Å²	114	108.2 Å²	108.2	74%	0.74	59%	0.593	S	S	*	*			trans	-57.2	113.3	174.5	24.9	-31.8	0	0	0	106.9	V31	P29-V31 PolarHBondContact O-N 3.39Å
30	K	47.1	Very low	55.5	Low	148 Å²	148	102.5 Å²	102.5	64%	0.643	56%	0.564	S	S	*	*			trans	-65.8	87.6	173.4	-61.7	-179.1	-172.4	174.6	0	106.3	E28 Y32	E28-K30 PolarHBondContact O-N 2.85Å; K30-Y32 HydrophobicContact CB-CD2 3.8Å; K30-Y32 HydrophobicContact CB-CE2 3.41Å; K30-Y32 VanDerWaalsContact CB-CE2 3.41Å; K30-Y32 HydrophobicContact CD-CE2 3.85Å; K30-Y32 WeakPolarHBondContact CD-OH 3.42Å; K30-Y32 HydrophobicContact CG-CE2 4.29Å; K30-Y32 WeakPolarHBondContact O-CD2 3.11Å; K30-Y32 PolarHBondContact O-N 3.01Å
31	V	50.6	Low	57.6	Low	124 Å²	124	98.7 Å²	98.7	75%	0.752	54%	0.537	S	S	*	.			trans	-69.6	89.2	166.7	-177.8	0	0	0	0	104.2	P29 G33	P29-V31 PolarHBondContact O-N 3.39Å; V31-G33 PolarHBondContact O-N 3.28Å
32	Y	61.7	Low	59.6	Low	176 Å²	176	93 Å²	93	69%	0.69	51%	0.509	S	S	*	.			trans	-68	70.7	167.9	-68.4	-82.5	0	0	0	107.3	K30	K30-Y32 HydrophobicContact CB-CD2 3.8Å; K30-Y32 HydrophobicContact CB-CE2 3.41Å; K30-Y32 VanDerWaalsContact CB-CE2 3.41Å; K30-Y32 HydrophobicContact CD-CE2 3.85Å; K30-Y32 WeakPolarHBondContact CD-OH 3.42Å; K30-Y32 HydrophobicContact CG-CE2 4.29Å; K30-Y32 WeakPolarHBondContact O-CD2 3.11Å; K30-Y32 PolarHBondContact O-N 3.01Å
33	G	69	Low	61.5	Low	22 Å²	22	91 Å²	91	23%	0.227	49%	0.49	C	S	.	.			trans	-73.2	146.8	173.6	0	0	0	0	0	109.4	V31 T35 S36	V31-G33 PolarHBondContact O-N 3.28Å; G33-T35 PolarHBondContact O-N 3.24Å; G33-T35 VanDerWaalsContact O-N 3.1Å; G33-S36 WeakPolarHBondContact O-CB 3.08Å; G33-S36 PolarHBondContact O-N 3.1Å; G33-S36 PolarHBondContact O-OG 3.47Å
34	F	80.3	Confident	62.9	Low	18 Å²	18	93 Å²	93	8%	0.079	49%	0.489	C	S	.	.	H	α-helix	trans	-39.2	-44.3	167.5	166.9	-124.3	0	0	0	113.2	S36 R37 L38 Y113 E116 I117 Y126	F34-S36 VanDerWaalsContact C-N 3.31Å; F34-S36 PolarHBondContact O-N 2.91Å; F34-R37 WeakPolarHBondContact O-CB 3.25Å; F34-R37 PolarHBondContact O-N 3.26Å; F34-L38 HydrophobicContact CD1-CD1 3.85Å; F34-L38 HydrophobicContact CD2-CD1 4.21Å; F34-L38 HydrophobicContact CD2-CD2 4.36Å; F34-L38 HydrophobicContact CD2-CG 4.01Å; F34-L38 HydrophobicContact CE1-CD1 3.24Å; F34-L38 HydrophobicContact CE1-CG 4.08Å; F34-L38 HydrophobicContact CE2-CD1 3.65Å; F34-L38 HydrophobicContact CE2-CD2 3.49Å; F34-L38 VanDerWaalsContact CE2-CD2 3.49Å; F34-L38 HydrophobicContact CE2-CG 3.51Å; F34-L38 HydrophobicContact CG-CD1 4.29Å; F34-L38 HydrophobicContact CG-CG 4.48Å; F34-L38 HydrophobicContact CZ-CD1 3.1Å; F34-L38 HydrophobicContact CZ-CD2 3.64Å; F34-L38 HydrophobicContact CZ-CG 3.54Å; F34-L38 PolarHBondContact O-N 3.35Å; F34-Y113 AromaticContact CD2-CD1 3.21Å; F34-Y113 HydrophobicContact CD2-CD1 3.21Å; F34-Y113 AromaticContact CD2-CE1 3.4Å; F34-Y113 HydrophobicContact CD2-CE1 3.4Å; F34-Y113 HydrophobicContact CD2-CG 4.18Å; F34-Y113 AromaticContact CE2-CD1 3.24Å; F34-Y113 HydrophobicContact CE2-CD1 3.24Å; F34-Y113 AromaticContact CE2-CE1 3.46Å; F34-Y113 HydrophobicContact CE2-CE1 3.46Å; F34-Y113 VanDerWaalsContact CE2-CE1 3.46Å; F34-Y113 AromaticContact CE2-CG 3.81Å; F34-Y113 HydrophobicContact CE2-CG 3.81Å; F34-E116 WeakPolarHBondContact CA-OE2 3.38Å; F34-E116 HydrophobicContact CB-CB 4.06Å; F34-E116 WeakPolarHBondContact CB-OE2 3.41Å; F34-E116 VanDerWaalsContact CD2-OE2 3.26Å; F34-E116 WeakPolarHBondContact CD2-OE2 3.49Å; F34-E116 HydrophobicContact CG-CB 4.41Å; F34-I117 HydrophobicContact CZ-CG1 4.4Å; F34-Y126 AromaticContact CE2-CD2 3.81Å; F34-Y126 HydrophobicContact CE2-CD2 3.81Å; F34-Y126 AromaticContact CZ-CD2 3.59Å; F34-Y126 HydrophobicContact CZ-CD2 3.59Å; F34-Y126 HydrophobicContact CZ-CG 4.15Å
35	T	79.3	Confident	63.8	Low	91 Å²	91	91.7 Å²	91.7	56%	0.558	48%	0.48	S	S	*	.	H	α-helix	trans	-57.7	-37.1	178.8	55.5	0	0	0	0	113.5	G33 R37 L38 Q39	G33-T35 PolarHBondContact O-N 3.24Å; G33-T35 VanDerWaalsContact O-N 3.1Å; T35-R37 VanDerWaalsContact C-N 3.28Å; T35-R37 PolarHBondContact O-N 3.42Å; T35-L38 PolarHBondContact O-N 3.39Å; T35-Q39 WeakPolarHBondContact O-CB 3.44Å; T35-Q39 PolarHBondContact O-N 2.89Å
36	S	81.4	Confident	64.8	Low	58 Å²	58	90.6 Å²	90.6	41%	0.406	47%	0.474	S	S	.	.	H	α-helix	trans	-66	-33.3	177	71.5	0	0	0	0	112.1	G33 F34 S40	G33-S36 WeakPolarHBondContact O-CB 3.08Å; G33-S36 PolarHBondContact O-N 3.1Å; G33-S36 PolarHBondContact O-OG 3.47Å; F34-S36 VanDerWaalsContact C-N 3.31Å; F34-S36 PolarHBondContact O-N 2.91Å; S36-S40 PolarHBondContact O-N 3.12Å; S36-S40 VanDerWaalsContact O-N 3.12Å
37	R	81.7	Confident	65.5	Low	116 Å²	116	90.5 Å²	90.5	44%	0.438	47%	0.466	S	S	.	.	H	α-helix	trans	-76.4	-40.1	176.9	-165	177.3	-179.4	170.9	2.7	111.3	F34 T35 Q39 S40 L41 S112 Y113	F34-R37 WeakPolarHBondContact O-CB 3.25Å; F34-R37 PolarHBondContact O-N 3.26Å; T35-R37 VanDerWaalsContact C-N 3.28Å; T35-R37 PolarHBondContact O-N 3.42Å; R37-Q39 VanDerWaalsContact C-N 3.31Å; R37-Q39 PolarHBondContact O-N 2.87Å; R37-S40 WeakPolarHBondContact O-CB 2.95Å; R37-S40 PolarHBondContact O-N 3.27Å; R37-S40 VanDerWaalsContact O-N 3.1Å; R37-S40 PolarHBondContact O-OG 3.48Å; R37-L41 PolarHBondContact O-N 2.64Å; R37-S112 PolarHBondContact NH1-OG 3.27Å; R37-Y113 HydrophobicContact CB-CE1 4.31Å; R37-Y113 WeakPolarHBondContact CD-OH 3.44Å; R37-Y113 HydrophobicContact CG-CE1 4.21Å; R37-Y113 VanDerWaalsContact CG-OH 3.31Å; R37-Y113 WeakPolarHBondContact CG-OH 3.47Å
38	L	82.1	Confident	66.2	Low	6 Å²	6	89.2 Å²	89.2	3%	0.031	46%	0.458	C	S	.	.	H	α-helix	trans	-58.2	-44.8	170.2	-66.7	177	0	0	0	111.5	F34 T35 S40 L41 V42 Y126 T129	F34-L38 HydrophobicContact CD1-CD1 3.85Å; F34-L38 HydrophobicContact CD2-CD1 4.21Å; F34-L38 HydrophobicContact CD2-CD2 4.36Å; F34-L38 HydrophobicContact CD2-CG 4.01Å; F34-L38 HydrophobicContact CE1-CD1 3.24Å; F34-L38 HydrophobicContact CE1-CG 4.08Å; F34-L38 HydrophobicContact CE2-CD1 3.65Å; F34-L38 HydrophobicContact CE2-CD2 3.49Å; F34-L38 VanDerWaalsContact CE2-CD2 3.49Å; F34-L38 HydrophobicContact CE2-CG 3.51Å; F34-L38 HydrophobicContact CG-CD1 4.29Å; F34-L38 HydrophobicContact CG-CG 4.48Å; F34-L38 HydrophobicContact CZ-CD1 3.1Å; F34-L38 HydrophobicContact CZ-CD2 3.64Å; F34-L38 HydrophobicContact CZ-CG 3.54Å; F34-L38 PolarHBondContact O-N 3.35Å; T35-L38 PolarHBondContact O-N 3.39Å; L38-S40 PolarHBondContact O-N 3.1Å; L38-L41 HydrophobicContact CD2-CD1 4.37Å; L38-L41 WeakPolarHBondContact O-CB 3.21Å; L38-L41 PolarHBondContact O-N 2.92Å; L38-V42 PolarHBondContact O-N 2.76Å; L38-Y126 HydrophobicContact CD2-CD2 4.14Å; L38-T129 HydrophobicContact CB-CG2 3.79Å; L38-T129 HydrophobicContact CD1-CG2 3.58Å; L38-T129 HydrophobicContact CD2-CG2 4.19Å; L38-T129 WeakPolarHBondContact CD2-OG1 3.4Å; L38-T129 HydrophobicContact CG-CG2 4.05Å
39	Q	81.5	Confident	67.1	Low	101 Å²	101	89.2 Å²	89.2	47%	0.472	46%	0.462	S	S	.	.	H	α-helix	trans	-58.8	-37.2	175.1	-171.7	60.2	42.9	0	0	111.5	T35 R37 L41 V42 D43	T35-Q39 WeakPolarHBondContact O-CB 3.44Å; T35-Q39 PolarHBondContact O-N 2.89Å; R37-Q39 VanDerWaalsContact C-N 3.31Å; R37-Q39 PolarHBondContact O-N 2.87Å; Q39-L41 VanDerWaalsContact C-N 3.26Å; Q39-L41 PolarHBondContact O-N 3.02Å; Q39-V42 WeakPolarHBondContact O-CB 3.19Å; Q39-V42 PolarHBondContact O-N 3.19Å; Q39-D43 PolarHBondContact NE2-OD1 3.35Å; Q39-D43 WeakPolarHBondContact O-CB 3.39Å; Q39-D43 PolarHBondContact O-N 2.79Å
40	S	79.9	Confident	67.9	Low	29 Å²	29	88.8 Å²	88.8	20%	0.203	45%	0.452	C	S	.	.	H	α-helix	trans	-67.3	-23.4	175.6	82.2	0	0	0	0	114.5	S36 R37 L38	S36-S40 PolarHBondContact O-N 3.12Å; S36-S40 VanDerWaalsContact O-N 3.12Å; R37-S40 WeakPolarHBondContact O-CB 2.95Å; R37-S40 PolarHBondContact O-N 3.27Å; R37-S40 VanDerWaalsContact O-N 3.1Å; R37-S40 PolarHBondContact O-OG 3.48Å; L38-S40 PolarHBondContact O-N 3.1Å
41	L	74.9	Confident	68.8	Low	26 Å²	26	88.7 Å²	88.7	14%	0.136	46%	0.459	C	S	.	.	H	α-helix	trans	-76.4	-32.9	173.2	-67	173	0	0	0	111.4	R37 L38 Q39 V131	R37-L41 PolarHBondContact O-N 2.64Å; L38-L41 HydrophobicContact CD2-CD1 4.37Å; L38-L41 WeakPolarHBondContact O-CB 3.21Å; L38-L41 PolarHBondContact O-N 2.92Å; Q39-L41 VanDerWaalsContact C-N 3.26Å; Q39-L41 PolarHBondContact O-N 3.02Å; L41-V131 HydrophobicContact CD1-CG2 4.33Å
42	V	75	Confident	70	Confident	51 Å²	51	86.7 Å²	86.7	31%	0.309	44%	0.441	S	S	.	.	H	α-helix	trans	-70.8	-40.4	171.4	-178.8	0	0	0	0	110.6	L38 Q39 K44 P130	L38-V42 PolarHBondContact O-N 2.76Å; Q39-V42 WeakPolarHBondContact O-CB 3.19Å; Q39-V42 PolarHBondContact O-N 3.19Å; V42-K44 PolarHBondContact O-N 2.84Å; V42-P130 HydrophobicContact CG2-CG 4.17Å
43	D	72.2	Confident	70.8	Confident	61 Å²	61	83.6 Å²	83.6	33%	0.326	44%	0.436	S	S	.	.			trans	-74.8	93.8	-178.4	-66.7	-9.3	0	0	0	111.5	Q39 S45	Q39-D43 PolarHBondContact NE2-OD1 3.35Å; Q39-D43 WeakPolarHBondContact O-CB 3.39Å; Q39-D43 PolarHBondContact O-N 2.79Å; D43-S45 PolarHBondContact O-N 2.83Å
44	K	62.3	Low	71.5	Confident	149 Å²	149	86.3 Å²	86.3	65%	0.648	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-40	-24.1	178.5	-67.8	167.7	179.5	167.7	0	117.5	V42 E132	V42-K44 PolarHBondContact O-N 2.84Å; K44-E132 WeakPolarHBondContact CE-OE1 3.1Å; K44-E132 WeakPolarHBondContact CE-OE2 2.78Å; K44-E132 IonicContact NZ-OE1 3.47Å; K44-E132 PolarHBondContact NZ-OE1 2.89Å
45	S	57.2	Low	71.9	Confident	74 Å²	74	86.3 Å²	86.3	52%	0.517	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-14.6	-162.4	59.5	0	0	0	0	115.9	D43	D43-S45 PolarHBondContact O-N 2.83Å
46	K	56	Low	72.3	Confident	141 Å²	141	87 Å²	87	61%	0.613	46%	0.457	S	S	*	.	S	Bend	trans	-109.7	-17.9	-162.2	-65.1	-176.8	-175.5	168	0	117.2
47	N	55.7	Low	72.8	Confident	80 Å²	80	85.8 Å²	85.8	43%	0.428	45%	0.448	S	S	.	.			trans	-136.9	74.2	-173.7	-80.3	-44	0	0	0	113.7	L49	N47-L49 PolarHBondContact O-N 3.05Å
48	I	57.3	Low	73.3	Confident	133 Å²	133	82.3 Å²	82.3	68%	0.682	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-20.9	174.6	-57.4	160.5	0	0	0	111.6
49	L	58.4	Low	73.7	Confident	155 Å²	155	91.2 Å²	91.2	81%	0.812	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-10.6	-168.1	-63.5	173.2	0	0	0	114.9	N47	N47-L49 PolarHBondContact O-N 3.05Å
50	M	61.3	Low	74.2	Confident	105 Å²	105	90.1 Å²	90.1	52%	0.517	48%	0.48	S	S	.	.			trans	-109.1	110.5	-174.6	-61.8	-62.7	164.7	0	0	110.3	H52 P134	M50-H52 WeakPolarHBondContact CB-NE2 3.45Å; M50-H52 PolarHBondContact O-N 2.77Å; M50-P134 WeakPolarHBondContact O-CG 3.33Å
51	N	66.4	Low	74.9	Confident	147 Å²	147	88.8 Å²	88.8	79%	0.786	47%	0.47	S	S	*	.			trans	-71.6	96.6	170.7	-66.6	-11.8	0	0	0	108.4
52	H	75.3	Confident	75.8	Confident	81 Å²	81	91.3 Å²	91.3	38%	0.375	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-96.2	145	167.2	-67.1	-65.8	0	0	0	109.4	M50 V131 T133	M50-H52 WeakPolarHBondContact CB-NE2 3.45Å; M50-H52 PolarHBondContact O-N 2.77Å; H52-V131 HydrophobicContact CB-CG1 3.91Å; H52-T133 WeakPolarHBondContact O-CG2 3.21Å
53	D	80.3	Confident	76.6	Confident	111 Å²	111	93.9 Å²	93.9	59%	0.594	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-66.1	136.1	171.1	-64.4	-35	0	0	0	109.1	Y55	D53-Y55 PolarHBondContact O-N 3.2Å
54	P	82.9	Confident	77.6	Confident	79 Å²	79	95.4 Å²	95.4	51%	0.513	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-67.2	138.2	178.1	26.7	-27.1	0	0	0	108.7	V131 T133	P54-V131 WeakPolarHBondContact CA-O 3.13Å; P54-T133 HydrophobicContact CB-CG2 3.49Å; P54-T133 VanDerWaalsContact CB-CG2 3.49Å; P54-T133 HydrophobicContact CG-CG2 3.57Å
55	Y	88.4	Confident	79.1	Confident	19 Å²	19	88.3 Å²	88.3	8%	0.075	46%	0.464	C	S	.	.	B	Isolated β-bridge	trans	-136.9	121.2	177.5	179.9	-111.2	0	0	0	110.4	D53 P57 F105 H107 F127 V131	D53-Y55 PolarHBondContact O-N 3.2Å; Y55-P57 HydrophobicContact CE1-CB 4.09Å; Y55-F105 HydrophobicContact CE2-CB 4.25Å; Y55-H107 HydrophobicContact CD2-CB 3.46Å; Y55-H107 VanDerWaalsContact CD2-CB 3.46Å; Y55-H107 AromaticContact CD2-CG 3.47Å; Y55-H107 VanDerWaalsContact CD2-CG 3.47Å; Y55-H107 AromaticContact CD2-ND1 3.71Å; Y55-H107 HydrophobicContact CE2-CB 3.52Å; Y55-H107 AromaticContact CE2-CG 3.89Å; Y55-H107 HydrophobicContact CG-CB 4.18Å; Y55-H107 AromaticContact CG-CD2 3.95Å; Y55-H107 AromaticContact CG-CE1 3.92Å; Y55-H107 AromaticContact CG-CG 3.66Å; Y55-H107 AromaticContact CG-ND1 3.65Å; Y55-F127 VanDerWaalsContact CE1-O 3.27Å; Y55-F127 WeakPolarHBondContact CE1-O 3.42Å; Y55-F127 PolarHBondContact OH-O 3.43Å; Y55-V131 PolarHBondContact N-O 3.31Å; Y55-V131 PolarHBondContact O-N 2.51Å
56	S	88	Confident	80.8	Confident	104 Å²	104	86.5 Å²	86.5	73%	0.727	45%	0.447	S	S	*	.			trans	-105.1	117.3	169.4	-171.3	0	0	0	0	108.1	P58	S56-P58 WeakPolarHBondContact O-CD 3.3Å
57	P	91.4	Very high	82.5	Confident	33 Å²	33	82.3 Å²	82.3	21%	0.214	44%	0.439	C	S	.	.			trans	-65.4	133	178.5	28.9	-35.6	0	0	0	109.7	Y55 V61 F127 P130	Y55-P57 HydrophobicContact CE1-CB 4.09Å; P57-V61 HydrophobicContact CB-CG2 4.35Å; P57-F127 VanDerWaalsContact CB-O 3.27Å; P57-F127 WeakPolarHBondContact CB-O 3.5Å; P57-P130 HydrophobicContact CG-CB 4.33Å
58	P	92.2	Very high	84.3	Confident	44 Å²	44	79.6 Å²	79.6	29%	0.286	42%	0.424	S	S	.	.			trans	-63	154.4	166.5	-22.6	32.9	0	0	0	111.9	S56 D60 V61 F105	S56-P58 WeakPolarHBondContact O-CD 3.3Å; P58-D60 PolarHBondContact O-N 3.15Å; P58-V61 HydrophobicContact CB-CG2 4.17Å; P58-V61 HydrophobicContact CG-CG2 4.26Å; P58-V61 WeakPolarHBondContact O-CG2 3.32Å; P58-F105 HydrophobicContact CG-CD1 4Å; P58-F105 HydrophobicContact CG-CE1 4.17Å
59	E	90.6	Very high	85.9	Confident	192 Å²	192	73.3 Å²	73.3	90%	0.897	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-32.5	175	-63.8	-179.9	179.4	0	0	111.8	V61	E59-V61 VanDerWaalsContact C-N 3.33Å; E59-V61 PolarHBondContact O-N 2.7Å
60	D	93.4	Very high	87.5	Confident	79 Å²	79	69.9 Å²	69.9	42%	0.422	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	21.2	-175.5	-54.7	-44.5	0	0	0	114.5	P58 E62 L63 R64	P58-D60 PolarHBondContact O-N 3.15Å; D60-E62 VanDerWaalsContact C-N 3.33Å; D60-E62 PolarHBondContact O-N 3.45Å; D60-L63 HydrophobicContact CB-CD1 4.46Å; D60-L63 PolarHBondContact O-N 3.49Å; D60-R64 WeakPolarHBondContact O-CG 3.43Å; D60-R64 PolarHBondContact O-N 2.99Å
61	V	93.8	Very high	88.9	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-55.7	-47.1	-176.6	164.5	0	0	0	0	111.6	P57 P58 E59 L63 R64 I65 F105 F127 M128	P57-V61 HydrophobicContact CB-CG2 4.35Å; P58-V61 HydrophobicContact CB-CG2 4.17Å; P58-V61 HydrophobicContact CG-CG2 4.26Å; P58-V61 WeakPolarHBondContact O-CG2 3.32Å; E59-V61 VanDerWaalsContact C-N 3.33Å; E59-V61 PolarHBondContact O-N 2.7Å; V61-L63 PolarHBondContact O-N 3.39Å; V61-R64 PolarHBondContact O-N 2.72Å; V61-I65 HydrophobicContact CG1-CD1 3.54Å; V61-I65 WeakPolarHBondContact O-CD1 3.44Å; V61-I65 VanDerWaalsContact O-CG1 3.31Å; V61-I65 WeakPolarHBondContact O-CG1 3.32Å; V61-I65 PolarHBondContact O-N 2.85Å; V61-F105 HydrophobicContact CB-CE1 4.31Å; V61-F105 HydrophobicContact CB-CZ 4.25Å; V61-F105 HydrophobicContact CG1-CZ 4.1Å; V61-F105 HydrophobicContact CG2-CD1 4.42Å; V61-F105 HydrophobicContact CG2-CE1 3.7Å; V61-F105 HydrophobicContact CG2-CZ 4.09Å; V61-F127 HydrophobicContact CG1-CB 3.76Å; V61-M128 HydrophobicContact CB-CG 4.42Å; V61-M128 HydrophobicContact CB-SD 3.64Å; V61-M128 HydrophobicContact CG1-CG 4Å; V61-M128 HydrophobicContact CG1-SD 3.89Å; V61-M128 HydrophobicContact CG2-SD 4.19Å
62	E	92.8	Very high	90	Very high	80 Å²	80	67.8 Å²	67.8	37%	0.374	36%	0.356	S	S	.	.	H	α-helix	trans	-61.4	-44.9	-179.3	-58.3	-157.5	145.2	0	0	112.1	D60 R64 I65 E66 K84 I124	D60-E62 VanDerWaalsContact C-N 3.33Å; D60-E62 PolarHBondContact O-N 3.45Å; E62-R64 PolarHBondContact O-N 3.45Å; E62-I65 PolarHBondContact O-N 3.49Å; E62-E66 WeakPolarHBondContact O-CB 3.31Å; E62-E66 PolarHBondContact O-N 3.24Å; E62-K84 IonicContact OE1-NZ 2.81Å; E62-K84 PolarHBondContact OE1-NZ 3.45Å; E62-K84 IonicContact OE2-NZ 2.73Å; E62-K84 PolarHBondContact OE2-NZ 2.68Å; E62-I124 HydrophobicContact CG-CG2 3.92Å
63	L	92.6	Very high	90.5	Very high	105 Å²	105	65.6 Å²	65.6	55%	0.55	35%	0.345	S	S	.	.	H	α-helix	trans	-65.7	-39.2	-178.1	-62.8	175.7	0	0	0	111.7	D60 V61 E66 A67	D60-L63 HydrophobicContact CB-CD1 4.46Å; D60-L63 PolarHBondContact O-N 3.49Å; V61-L63 PolarHBondContact O-N 3.39Å; L63-E66 WeakPolarHBondContact O-CB 3.44Å; L63-E66 PolarHBondContact O-N 3.49Å; L63-A67 PolarHBondContact O-N 3.03Å
64	R	93.9	Very high	90.6	Very high	92 Å²	92	67 Å²	67	35%	0.347	35%	0.353	S	S	.	.	H	α-helix	trans	-68.3	-43.1	177	-69.1	-178.5	-169.6	-144.8	10.1	111.7	D60 V61 E62 E66 A67 L68 E104 F105	D60-R64 WeakPolarHBondContact O-CG 3.43Å; D60-R64 PolarHBondContact O-N 2.99Å; V61-R64 PolarHBondContact O-N 2.72Å; E62-R64 PolarHBondContact O-N 3.45Å; R64-E66 VanDerWaalsContact C-N 3.31Å; R64-E66 PolarHBondContact O-N 3.27Å; R64-A67 PolarHBondContact O-N 3.38Å; R64-L68 WeakPolarHBondContact O-CG 3.37Å; R64-L68 PolarHBondContact O-N 3.06Å; R64-E104 IonicContact CZ-OE1 3.76Å; R64-E104 IonicContact NE-OE1 4Å; R64-E104 IonicContact NH1-OE1 2.83Å; R64-E104 PolarHBondContact NH1-OE1 2.97Å; R64-F105 HydrophobicContact CB-CE1 4.47Å; R64-F105 HydrophobicContact CB-CZ 4Å
65	I	93.9	Very high	90.4	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-65.3	-39.1	175.9	-66.1	162	0	0	0	110.4	V61 E62 A67 L68 S69 W83 F105 I120 L123 I124 F127	V61-I65 HydrophobicContact CG1-CD1 3.54Å; V61-I65 WeakPolarHBondContact O-CD1 3.44Å; V61-I65 VanDerWaalsContact O-CG1 3.31Å; V61-I65 WeakPolarHBondContact O-CG1 3.32Å; V61-I65 PolarHBondContact O-N 2.85Å; E62-I65 PolarHBondContact O-N 3.49Å; I65-A67 VanDerWaalsContact C-N 3.35Å; I65-A67 PolarHBondContact O-N 3.03Å; I65-L68 PolarHBondContact O-N 3.48Å; I65-S69 VanDerWaalsContact O-CB 3.32Å; I65-S69 WeakPolarHBondContact O-CB 3.11Å; I65-S69 PolarHBondContact O-N 2.82Å; I65-S69 PolarHBondContact O-OG 3.34Å; I65-W83 HydrophobicContact CG2-CZ3 4.24Å; I65-F105 HydrophobicContact CD1-CE2 4.26Å; I65-F105 HydrophobicContact CD1-CZ 4.42Å; I65-F105 HydrophobicContact CG1-CE2 3.92Å; I65-F105 HydrophobicContact CG1-CZ 4.12Å; I65-I120 HydrophobicContact CG2-CG2 3.91Å; I65-L123 HydrophobicContact CD1-CD2 3.58Å; I65-L123 HydrophobicContact CG1-CD2 3.87Å; I65-L123 HydrophobicContact CG2-CD2 3.8Å; I65-I124 HydrophobicContact CB-CG1 4.36Å; I65-I124 HydrophobicContact CD1-CB 4.34Å; I65-I124 HydrophobicContact CD1-CG1 3.74Å; I65-I124 HydrophobicContact CG2-CG1 4.04Å; I65-F127 HydrophobicContact CD1-CB 4.41Å; I65-F127 HydrophobicContact CD1-CD2 4.46Å
66	E	92.3	Very high	89.4	Confident	36 Å²	36	68.5 Å²	68.5	17%	0.168	37%	0.366	C	S	.	.	H	α-helix	trans	-57.1	-48.7	173.7	-170.3	-169.2	160.8	0	0	110.8	E62 L63 R64 L68 S69 K70 S77 W83	E62-E66 WeakPolarHBondContact O-CB 3.31Å; E62-E66 PolarHBondContact O-N 3.24Å; L63-E66 WeakPolarHBondContact O-CB 3.44Å; L63-E66 PolarHBondContact O-N 3.49Å; R64-E66 VanDerWaalsContact C-N 3.31Å; R64-E66 PolarHBondContact O-N 3.27Å; E66-L68 PolarHBondContact O-N 3.35Å; E66-S69 PolarHBondContact O-N 3.36Å; E66-S69 PolarHBondContact O-OG 3.43Å; E66-K70 WeakPolarHBondContact O-CG 3.35Å; E66-K70 PolarHBondContact O-N 3.45Å; E66-K70 VanDerWaalsContact OE1-CE 3.3Å; E66-K70 WeakPolarHBondContact OE1-CE 3.4Å; E66-K70 IonicContact OE1-NZ 2.7Å; E66-K70 PolarHBondContact OE1-NZ 3.06Å; E66-S77 WeakPolarHBondContact CG-OG 3.36Å; E66-S77 WeakPolarHBondContact OE1-CB 3.21Å; E66-S77 PolarHBondContact OE1-OG 3Å; E66-W83 HydrophobicContact CB-CH2 3.57Å; E66-W83 HydrophobicContact CB-CZ2 3.72Å; E66-W83 HydrophobicContact CB-CZ3 4.07Å; E66-W83 HydrophobicContact CG-CD2 4.33Å; E66-W83 HydrophobicContact CG-CH2 4.08Å; E66-W83 HydrophobicContact CG-CZ2 3.79Å; E66-W83 HydrophobicContact CG-CZ3 4.46Å
67	A	92.6	Very high	88.2	Confident	53 Å²	53	65.1 Å²	65.1	44%	0.438	34%	0.342	S	S	.	.	H	α-helix	trans	-60.1	-45.7	177.4	0	0	0	0	0	112.5	L63 R64 I65 S69 K70 E71	L63-A67 PolarHBondContact O-N 3.03Å; R64-A67 PolarHBondContact O-N 3.38Å; I65-A67 VanDerWaalsContact C-N 3.35Å; I65-A67 PolarHBondContact O-N 3.03Å; A67-S69 VanDerWaalsContact C-N 3.32Å; A67-S69 PolarHBondContact O-N 3.24Å; A67-K70 WeakPolarHBondContact O-CB 3.3Å; A67-K70 PolarHBondContact O-N 2.85Å; A67-E71 PolarHBondContact O-N 3.24Å
68	L	92.8	Very high	86.8	Confident	23 Å²	23	67.5 Å²	67.5	12%	0.12	36%	0.359	C	S	.	.	H	α-helix	trans	-63	-38.1	176.1	-68.7	175.3	0	0	0	112.2	R64 I65 E66 E71 L72 I97 A100 E104	R64-L68 WeakPolarHBondContact O-CG 3.37Å; R64-L68 PolarHBondContact O-N 3.06Å; I65-L68 PolarHBondContact O-N 3.48Å; E66-L68 PolarHBondContact O-N 3.35Å; L68-E71 PolarHBondContact O-N 3.14Å; L68-L72 WeakPolarHBondContact O-CB 3.27Å; L68-L72 WeakPolarHBondContact O-CG 3.2Å; L68-L72 PolarHBondContact O-N 2.91Å; L68-I97 HydrophobicContact CB-CD1 3.86Å; L68-A100 HydrophobicContact CD1-CB 4.32Å; L68-A100 HydrophobicContact CD2-CB 4.16Å; L68-E104 HydrophobicContact CD1-CB 4.47Å
69	S	91.4	Very high	85.3	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-68.6	-35.2	178.5	79	0	0	0	0	112.3	I65 E66 A67 F73	I65-S69 VanDerWaalsContact O-CB 3.32Å; I65-S69 WeakPolarHBondContact O-CB 3.11Å; I65-S69 PolarHBondContact O-N 2.82Å; I65-S69 PolarHBondContact O-OG 3.34Å; E66-S69 PolarHBondContact O-N 3.36Å; E66-S69 PolarHBondContact O-OG 3.43Å; A67-S69 VanDerWaalsContact C-N 3.32Å; A67-S69 PolarHBondContact O-N 3.24Å; S69-F73 WeakPolarHBondContact O-CB 3.45Å; S69-F73 PolarHBondContact O-N 3.25Å
70	K	90.8	Very high	84.3	Confident	84 Å²	84	69.2 Å²	69.2	37%	0.365	37%	0.372	S	S	.	.	H	α-helix	trans	-65	-46.1	171.8	-74.8	171.4	-175.4	167.6	0	111.1	E66 A67 N74 L75 S77	E66-K70 WeakPolarHBondContact O-CG 3.35Å; E66-K70 PolarHBondContact O-N 3.45Å; E66-K70 VanDerWaalsContact OE1-CE 3.3Å; E66-K70 WeakPolarHBondContact OE1-CE 3.4Å; E66-K70 IonicContact OE1-NZ 2.7Å; E66-K70 PolarHBondContact OE1-NZ 3.06Å; A67-K70 WeakPolarHBondContact O-CB 3.3Å; A67-K70 PolarHBondContact O-N 2.85Å; K70-N74 VanDerWaalsContact O-CA 3.24Å; K70-N74 WeakPolarHBondContact O-CA 3.4Å; K70-N74 PolarHBondContact O-N 3.48Å; K70-L75 VanDerWaalsContact CG-O 3.32Å; K70-L75 WeakPolarHBondContact CG-O 3.42Å; K70-S77 VanDerWaalsContact CE-CB 3.49Å; K70-S77 WeakPolarHBondContact CE-OG 3.34Å; K70-S77 PolarHBondContact NZ-OG 3.05Å
71	E	90.8	Very high	83.3	Confident	145 Å²	145	70.4 Å²	70.4	68%	0.678	38%	0.379	S	S	*	.	H	α-helix	trans	-63.8	-44.2	-178.5	-173.3	-176.8	164	0	0	112.3	A67 L68	A67-E71 PolarHBondContact O-N 3.24Å; L68-E71 PolarHBondContact O-N 3.14Å
72	L	89.5	Confident	82.8	Confident	62 Å²	62	77 Å²	77	33%	0.325	41%	0.41	S	S	.	.	H	α-helix	trans	-87.9	-37.6	-172.5	-65.6	178	0	0	0	114	L68 K96 I97 A100	L68-L72 WeakPolarHBondContact O-CB 3.27Å; L68-L72 WeakPolarHBondContact O-CG 3.2Å; L68-L72 PolarHBondContact O-N 2.91Å; L72-K96 HydrophobicContact CD1-CB 4.4Å; L72-I97 HydrophobicContact CD1-CB 4.18Å; L72-I97 HydrophobicContact CD1-CD1 3.81Å; L72-A100 HydrophobicContact CD1-CB 4.32Å
73	F	86.7	Confident	82.5	Confident	35 Å²	35	74.1 Å²	74.1	15%	0.154	40%	0.395	C	S	.	.	H	α-helix	trans	-117	-1.3	-170.9	-55.1	-52.3	0	0	0	113.5	S69 L75 Y86 F88 E93 I97	S69-F73 WeakPolarHBondContact O-CB 3.45Å; S69-F73 PolarHBondContact O-N 3.25Å; F73-L75 HydrophobicContact CB-CD1 3.96Å; F73-L75 HydrophobicContact CB-CG 3.74Å; F73-L75 HydrophobicContact CD2-CD1 4.18Å; F73-L75 PolarHBondContact O-N 3.13Å; F73-L75 VanDerWaalsContact O-N 3.17Å; F73-Y86 HydrophobicContact CD2-CE1 4.48Å; F73-F88 HydrophobicContact CE2-CD1 4.42Å; F73-F88 HydrophobicContact CE2-CE1 4.06Å; F73-F88 HydrophobicContact CZ-CD1 4.42Å; F73-F88 HydrophobicContact CZ-CE1 4.41Å; F73-E93 HydrophobicContact CD1-CG 4.43Å; F73-E93 HydrophobicContact CE1-CB 3.55Å; F73-E93 HydrophobicContact CE1-CG 3.72Å; F73-E93 HydrophobicContact CZ-CB 3.85Å; F73-I97 HydrophobicContact CE2-CB 3.97Å; F73-I97 HydrophobicContact CE2-CD1 4.36Å; F73-I97 HydrophobicContact CE2-CG1 4.27Å; F73-I97 HydrophobicContact CE2-CG2 4.38Å; F73-I97 HydrophobicContact CZ-CB 4.01Å; F73-I97 HydrophobicContact CZ-CG2 4.27Å
74	N	82.7	Confident	82.3	Confident	140 Å²	140	70.8 Å²	70.8	75%	0.749	38%	0.376	S	S	*	.			trans	53.4	30.9	-174.1	-58.3	-52.6	0	0	0	113	K70 S76	K70-N74 VanDerWaalsContact O-CA 3.24Å; K70-N74 WeakPolarHBondContact O-CA 3.4Å; K70-N74 PolarHBondContact O-N 3.48Å; N74-S76 PolarHBondContact O-N 3.35Å; N74-S76 VanDerWaalsContact O-N 3.15Å
75	L	77.2	Confident	82	Confident	31 Å²	31	69.4 Å²	69.4	16%	0.162	38%	0.384	C	S	.	.			trans	-68.8	112.8	177.7	-67.8	171.1	0	0	0	108.8	K70 F73 S77 W83 Y86 I120	K70-L75 VanDerWaalsContact CG-O 3.32Å; K70-L75 WeakPolarHBondContact CG-O 3.42Å; F73-L75 HydrophobicContact CB-CD1 3.96Å; F73-L75 HydrophobicContact CB-CG 3.74Å; F73-L75 HydrophobicContact CD2-CD1 4.18Å; F73-L75 PolarHBondContact O-N 3.13Å; F73-L75 VanDerWaalsContact O-N 3.17Å; L75-S77 PolarHBondContact O-N 2.69Å; L75-W83 HydrophobicContact CB-CB 4.46Å; L75-Y86 HydrophobicContact CD1-CD1 3.83Å; L75-Y86 HydrophobicContact CD1-CD2 4.3Å; L75-Y86 HydrophobicContact CD1-CE1 4.34Å; L75-Y86 HydrophobicContact CD1-CG 3.79Å; L75-Y86 HydrophobicContact CD2-CD2 3.74Å; L75-Y86 HydrophobicContact CD2-CE2 4.03Å; L75-Y86 HydrophobicContact CD2-CG 4.09Å; L75-I120 HydrophobicContact CD1-CD1 3.53Å
76	S	67.5	Low	81.8	Confident	100 Å²	100	71.9 Å²	71.9	70%	0.699	39%	0.394	S	S	*	.			trans	-73.1	124.3	178.2	-175	0	0	0	0	110.1	N74 S78	N74-S76 PolarHBondContact O-N 3.35Å; N74-S76 VanDerWaalsContact O-N 3.15Å; S76-S78 PolarHBondContact O-N 3.32Å
77	S	64.6	Low	81.8	Confident	33 Å²	33	78.6 Å²	78.6	23%	0.231	42%	0.418	C	S	.	.			trans	-73.4	49.1	171.6	-67.4	0	0	0	0	112.7	E66 K70 L75 N79	E66-S77 WeakPolarHBondContact CG-OG 3.36Å; E66-S77 WeakPolarHBondContact OE1-CB 3.21Å; E66-S77 PolarHBondContact OE1-OG 3Å; K70-S77 VanDerWaalsContact CE-CB 3.49Å; K70-S77 WeakPolarHBondContact CE-OG 3.34Å; K70-S77 PolarHBondContact NZ-OG 3.05Å; L75-S77 PolarHBondContact O-N 2.69Å; S77-N79 VanDerWaalsContact C-N 3.28Å; S77-N79 PolarHBondContact O-N 3.29Å
78	S	60.9	Low	81.8	Confident	82 Å²	82	77 Å²	77	57%	0.573	40%	0.401	S	S	*	.			trans	-70.8	90.5	174.9	-160.4	0	0	0	0	108.7	S76 N80	S76-S78 PolarHBondContact O-N 3.32Å; S78-N80 PolarHBondContact O-N 3.11Å
79	N	61.8	Low	81.6	Confident	157 Å²	157	82.3 Å²	82.3	84%	0.84	43%	0.425	S	S	*	.	S	Bend	trans	35.5	-9	165.4	-81.1	0.4	0	0	0	122.8	S77	S77-N79 VanDerWaalsContact C-N 3.28Å; S77-N79 PolarHBondContact O-N 3.29Å
80	N	68.5	Low	81.6	Confident	116 Å²	116	86.6 Å²	86.6	62%	0.62	45%	0.448	S	S	*	.	S	Bend	trans	-115.7	23.5	-167	-75.4	-29.6	0	0	0	114.3	S78 Q82	S78-N80 PolarHBondContact O-N 3.11Å; N80-Q82 HydrophobicContact CB-CG 3.9Å; N80-Q82 WeakPolarHBondContact O-CG 3.27Å; N80-Q82 PolarHBondContact O-N 3.17Å
81	N	73.5	Confident	81.7	Confident	104 Å²	104	88.9 Å²	88.9	56%	0.556	46%	0.464	S	S	*	.	S	Bend	trans	50.7	12.6	-178.3	-71.2	-26.9	0	0	0	114.9	W83 K84	N81-W83 PolarHBondContact O-N 3.18Å; N81-K84 WeakPolarHBondContact O-CB 3.27Å; N81-K84 PolarHBondContact O-N 3.16Å
82	Q	81.7	Confident	81.8	Confident	139 Å²	139	87.6 Å²	87.6	65%	0.65	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-25.3	-174.9	-72.5	179.2	-41.1	0	0	111.5	N80 K84 A85	N80-Q82 HydrophobicContact CB-CG 3.9Å; N80-Q82 WeakPolarHBondContact O-CG 3.27Å; N80-Q82 PolarHBondContact O-N 3.17Å; Q82-K84 VanDerWaalsContact C-N 3.26Å; Q82-K84 PolarHBondContact O-N 3.24Å; Q82-A85 PolarHBondContact O-N 2.95Å
83	W	86.6	Confident	81.9	Confident	18 Å²	18	86.6 Å²	86.6	7%	0.068	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-31.3	174.4	70.9	-93	0	0	0	112.3	I65 E66 L75 N81 A85 Y86 I120 I124	I65-W83 HydrophobicContact CG2-CZ3 4.24Å; E66-W83 HydrophobicContact CB-CH2 3.57Å; E66-W83 HydrophobicContact CB-CZ2 3.72Å; E66-W83 HydrophobicContact CB-CZ3 4.07Å; E66-W83 HydrophobicContact CG-CD2 4.33Å; E66-W83 HydrophobicContact CG-CH2 4.08Å; E66-W83 HydrophobicContact CG-CZ2 3.79Å; E66-W83 HydrophobicContact CG-CZ3 4.46Å; L75-W83 HydrophobicContact CB-CB 4.46Å; N81-W83 PolarHBondContact O-N 3.18Å; W83-A85 VanDerWaalsContact C-N 3.35Å; W83-Y86 WeakPolarHBondContact O-CB 3.44Å; W83-Y86 PolarHBondContact O-N 3.13Å; W83-I120 HydrophobicContact CE3-CG2 3.82Å; W83-I120 HydrophobicContact CZ3-CG2 3.56Å; W83-I124 HydrophobicContact CH2-CD1 3.67Å; W83-I124 HydrophobicContact CZ3-CD1 3.87Å
84	K	88.5	Confident	82.3	Confident	35 Å²	35	86.1 Å²	86.1	15%	0.152	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-39.1	176.9	-61.4	-169.4	177.8	-172.5	0	111.3	E62 N81 Q82 Y86 E121 I124	E62-K84 IonicContact OE1-NZ 2.81Å; E62-K84 PolarHBondContact OE1-NZ 3.45Å; E62-K84 IonicContact OE2-NZ 2.73Å; E62-K84 PolarHBondContact OE2-NZ 2.68Å; N81-K84 WeakPolarHBondContact O-CB 3.27Å; N81-K84 PolarHBondContact O-N 3.16Å; Q82-K84 VanDerWaalsContact C-N 3.26Å; Q82-K84 PolarHBondContact O-N 3.24Å; K84-Y86 PolarHBondContact O-N 3.16Å; K84-E121 HydrophobicContact CB-CB 4.32Å; K84-E121 WeakPolarHBondContact O-CB 3.03Å; K84-E121 PolarHBondContact O-N 3.38Å; K84-I124 HydrophobicContact CD-CD1 3.98Å; K84-I124 HydrophobicContact CG-CD1 3.89Å
85	A	88.2	Confident	82.8	Confident	63 Å²	63	87.1 Å²	87.1	52%	0.521	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-0.7	178.6	0	0	0	0	0	113.8	Q82 W83 R87	Q82-A85 PolarHBondContact O-N 2.95Å; W83-A85 VanDerWaalsContact C-N 3.35Å; A85-R87 PolarHBondContact O-N 3.29Å
86	Y	89.6	Confident	83.7	Confident	54 Å²	54	91.5 Å²	91.5	21%	0.212	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-62.2	125.1	177.2	-179.4	-100.4	0	0	0	110.5	F73 L75 W83 K84 F88 S119 I120	F73-Y86 HydrophobicContact CD2-CE1 4.48Å; L75-Y86 HydrophobicContact CD1-CD1 3.83Å; L75-Y86 HydrophobicContact CD1-CD2 4.3Å; L75-Y86 HydrophobicContact CD1-CE1 4.34Å; L75-Y86 HydrophobicContact CD1-CG 3.79Å; L75-Y86 HydrophobicContact CD2-CD2 3.74Å; L75-Y86 HydrophobicContact CD2-CE2 4.03Å; L75-Y86 HydrophobicContact CD2-CG 4.09Å; W83-Y86 WeakPolarHBondContact O-CB 3.44Å; W83-Y86 PolarHBondContact O-N 3.13Å; K84-Y86 PolarHBondContact O-N 3.16Å; Y86-F88 HydrophobicContact CD1-CD1 4.42Å; Y86-F88 HydrophobicContact CE1-CD1 4.2Å; Y86-S119 VanDerWaalsContact O-CA 3.27Å; Y86-S119 WeakPolarHBondContact O-CA 3.3Å; Y86-I120 HydrophobicContact CD1-CD1 3.83Å; Y86-I120 HydrophobicContact CD1-CG1 4.18Å; Y86-I120 HydrophobicContact CG-CD1 4.33Å; Y86-I120 PolarHBondContact O-N 3.19Å
87	R	92.1	Very high	85	Confident	176 Å²	176	86.8 Å²	86.8	66%	0.664	43%	0.433	S	S	*	.	B	Isolated β-bridge	trans	-97.6	134.3	174.4	-72.3	-170.1	168.4	109.3	2.3	110.2	A85 Q89 N118	A85-R87 PolarHBondContact O-N 3.29Å; R87-Q89 PolarHBondContact O-N 3.31Å; R87-Q89 PolarHBondContact O-NE2 3.23Å; R87-N118 WeakPolarHBondContact CA-O 3.2Å
88	F	91.8	Very high	86.4	Confident	21 Å²	21	85.9 Å²	85.9	9%	0.092	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-66	131.9	177.2	-53.1	-63.1	0	0	0	110.2	F73 Y86 K94 I97 F98 I117 N118 I120	F73-F88 HydrophobicContact CE2-CD1 4.42Å; F73-F88 HydrophobicContact CE2-CE1 4.06Å; F73-F88 HydrophobicContact CZ-CD1 4.42Å; F73-F88 HydrophobicContact CZ-CE1 4.41Å; Y86-F88 HydrophobicContact CD1-CD1 4.42Å; Y86-F88 HydrophobicContact CE1-CD1 4.2Å; F88-K94 HydrophobicContact CB-CD 4.08Å; F88-K94 HydrophobicContact CB-CG 3.47Å; F88-K94 VanDerWaalsContact CB-CG 3.47Å; F88-K94 HydrophobicContact CD1-CG 4.46Å; F88-K94 HydrophobicContact CD2-CD 4.25Å; F88-K94 HydrophobicContact CD2-CG 3.71Å; F88-K94 HydrophobicContact CG-CD 4.45Å; F88-K94 HydrophobicContact CG-CG 3.62Å; F88-I97 HydrophobicContact CD1-CG2 4.45Å; F88-I97 HydrophobicContact CE1-CG2 3.76Å; F88-I97 HydrophobicContact CZ-CG2 3.95Å; F88-F98 HydrophobicContact CE2-CE1 4.32Å; F88-I117 HydrophobicContact CE2-CG2 4.45Å; F88-N118 WeakPolarHBondContact CD2-O 3.36Å; F88-N118 PolarHBondContact N-O 3.24Å; F88-I120 HydrophobicContact CE1-CD1 4.49Å; F88-I120 HydrophobicContact CE1-CG1 3.77Å; F88-I120 HydrophobicContact CZ-CG1 3.75Å
89	Q	89.4	Confident	88.1	Confident	133 Å²	133	84.4 Å²	84.4	62%	0.621	41%	0.412	S	S	*	.			trans	-90.4	-34.7	-177.6	-58	-57.4	-45.6	0	0	111.2	R87 E93	R87-Q89 PolarHBondContact O-N 3.31Å; R87-Q89 PolarHBondContact O-NE2 3.23Å; Q89-E93 PolarHBondContact N-OE2 2.97Å
90	N	91.8	Very high	89.7	Confident	91 Å²	91	77.9 Å²	77.9	49%	0.487	38%	0.38	S	S	.	.	S	Bend	trans	-126.7	151.6	-175.1	-62	-57.2	0	0	0	112.2	D92 E93 K94	N90-D92 PolarHBondContact O-N 2.88Å; N90-E93 HydrophobicContact CB-CG 4.21Å; N90-E93 PolarHBondContact N-OE2 3.19Å; N90-E93 WeakPolarHBondContact O-CB 3.26Å; N90-E93 PolarHBondContact O-N 3Å; N90-K94 PolarHBondContact O-N 2.61Å
91	N	92.6	Very high	91	Very high	131 Å²	131	72.3 Å²	72.3	70%	0.701	35%	0.351	S	S	*	.	H	α-helix	trans	-64.6	-28.5	173.6	-72.3	-20.8	0	0	0	112.4	E93 K94 Y95	N91-E93 VanDerWaalsContact C-N 3.34Å; N91-K94 WeakPolarHBondContact O-CB 3.33Å; N91-K94 PolarHBondContact O-N 2.83Å; N91-Y95 WeakPolarHBondContact O-CB 3.44Å; N91-Y95 PolarHBondContact O-N 2.86Å
92	D	93.4	Very high	92	Very high	119 Å²	119	69.4 Å²	69.4	64%	0.636	34%	0.335	S	S	*	.	H	α-helix	trans	-66.1	-37.4	176.1	-63	-28.4	0	0	0	111.9	N90 Y95 K96	N90-D92 PolarHBondContact O-N 2.88Å; D92-Y95 PolarHBondContact O-N 3.02Å; D92-K96 VanDerWaalsContact O-CG 3.29Å; D92-K96 WeakPolarHBondContact O-CG 3.14Å; D92-K96 PolarHBondContact O-N 3.3Å
93	E	92	Very high	92.7	Very high	41 Å²	41	67.8 Å²	67.8	19%	0.192	33%	0.334	C	S	.	.	H	α-helix	trans	-64.7	-47.8	173.9	-67	173.4	178.1	0	0	110.2	F73 Q89 N90 N91 Y95 K96 I97	F73-E93 HydrophobicContact CD1-CG 4.43Å; F73-E93 HydrophobicContact CE1-CB 3.55Å; F73-E93 HydrophobicContact CE1-CG 3.72Å; F73-E93 HydrophobicContact CZ-CB 3.85Å; Q89-E93 PolarHBondContact N-OE2 2.97Å; N90-E93 HydrophobicContact CB-CG 4.21Å; N90-E93 PolarHBondContact N-OE2 3.19Å; N90-E93 WeakPolarHBondContact O-CB 3.26Å; N90-E93 PolarHBondContact O-N 3Å; N91-E93 VanDerWaalsContact C-N 3.34Å; E93-Y95 VanDerWaalsContact C-N 3.31Å; E93-Y95 PolarHBondContact O-N 2.75Å; E93-K96 PolarHBondContact O-N 3.21Å; E93-I97 WeakPolarHBondContact O-CG2 3.41Å; E93-I97 PolarHBondContact O-N 2.93Å
94	K	93.3	Very high	93.1	Very high	24 Å²	24	70.9 Å²	70.9	10%	0.104	35%	0.35	C	S	.	.	H	α-helix	trans	-55.5	-46.3	175	-68.1	-176.7	64.2	165.7	0	111.5	F88 N90 N91 I97 F98 L114 I117 N118	F88-K94 HydrophobicContact CB-CD 4.08Å; F88-K94 HydrophobicContact CB-CG 3.47Å; F88-K94 VanDerWaalsContact CB-CG 3.47Å; F88-K94 HydrophobicContact CD1-CG 4.46Å; F88-K94 HydrophobicContact CD2-CD 4.25Å; F88-K94 HydrophobicContact CD2-CG 3.71Å; F88-K94 HydrophobicContact CG-CD 4.45Å; F88-K94 HydrophobicContact CG-CG 3.62Å; N90-K94 PolarHBondContact O-N 2.61Å; N91-K94 WeakPolarHBondContact O-CB 3.33Å; N91-K94 PolarHBondContact O-N 2.83Å; K94-I97 WeakPolarHBondContact O-CG2 3.46Å; K94-F98 HydrophobicContact CB-CZ 4.47Å; K94-F98 WeakPolarHBondContact O-CB 3.36Å; K94-F98 WeakPolarHBondContact O-CD1 3.46Å; K94-F98 WeakPolarHBondContact O-CG 3.31Å; K94-F98 PolarHBondContact O-N 3.17Å; K94-L114 PolarHBondContact NZ-O 3.38Å; K94-I117 VanDerWaalsContact CE-O 3.22Å; K94-I117 WeakPolarHBondContact CE-O 3.31Å; K94-I117 PolarHBondContact NZ-O 3.49Å; K94-N118 PolarHBondContact NZ-OD1 2.93Å
95	Y	94.8	Very high	93.3	Very high	162 Å²	162	70.1 Å²	70.1	64%	0.635	35%	0.346	S	S	*	.	H	α-helix	trans	-62.6	-46.1	-179.7	179.2	-102.8	0	0	0	112	N91 D92 E93 F98 T99	N91-Y95 WeakPolarHBondContact O-CB 3.44Å; N91-Y95 PolarHBondContact O-N 2.86Å; D92-Y95 PolarHBondContact O-N 3.02Å; E93-Y95 VanDerWaalsContact C-N 3.31Å; E93-Y95 PolarHBondContact O-N 2.75Å; Y95-F98 PolarHBondContact O-N 3.05Å; Y95-T99 HydrophobicContact CD1-CG2 4.43Å; Y95-T99 HydrophobicContact CD2-CG2 4.06Å; Y95-T99 HydrophobicContact CE1-CG2 4.03Å; Y95-T99 HydrophobicContact CE2-CG2 3.62Å; Y95-T99 HydrophobicContact CG-CG2 4.45Å; Y95-T99 WeakPolarHBondContact O-CB 3.24Å; Y95-T99 WeakPolarHBondContact O-CG2 3.37Å; Y95-T99 PolarHBondContact O-N 2.99Å; Y95-T99 PolarHBondContact O-OG1 3.28Å
96	K	94.5	Very high	93.5	Very high	122 Å²	122	76 Å²	76	53%	0.53	36%	0.36	S	S	.	.	H	α-helix	trans	-61	-48.2	179.4	-73.2	174	-176	-179.8	0	112.2	L72 D92 E93 T99 A100	L72-K96 HydrophobicContact CD1-CB 4.4Å; D92-K96 VanDerWaalsContact O-CG 3.29Å; D92-K96 WeakPolarHBondContact O-CG 3.14Å; D92-K96 PolarHBondContact O-N 3.3Å; E93-K96 PolarHBondContact O-N 3.21Å; K96-T99 PolarHBondContact O-OG1 3.27Å; K96-A100 WeakPolarHBondContact O-CB 3.41Å; K96-A100 PolarHBondContact O-N 3.47Å; K96-A100 VanDerWaalsContact O-N 3.13Å
97	I	94.8	Very high	93.7	Very high	2 Å²	2	74.3 Å²	74.3	1%	0.01	35%	0.354	C	S	.	.	H	α-helix	trans	-68.9	-41.4	179.7	-170.5	67.1	0	0	0	111.5	L68 L72 F73 F88 E93 K94 T99 A100 C101 L123	L68-I97 HydrophobicContact CB-CD1 3.86Å; L72-I97 HydrophobicContact CD1-CB 4.18Å; L72-I97 HydrophobicContact CD1-CD1 3.81Å; F73-I97 HydrophobicContact CE2-CB 3.97Å; F73-I97 HydrophobicContact CE2-CD1 4.36Å; F73-I97 HydrophobicContact CE2-CG1 4.27Å; F73-I97 HydrophobicContact CE2-CG2 4.38Å; F73-I97 HydrophobicContact CZ-CB 4.01Å; F73-I97 HydrophobicContact CZ-CG2 4.27Å; F88-I97 HydrophobicContact CD1-CG2 4.45Å; F88-I97 HydrophobicContact CE1-CG2 3.76Å; F88-I97 HydrophobicContact CZ-CG2 3.95Å; E93-I97 WeakPolarHBondContact O-CG2 3.41Å; E93-I97 PolarHBondContact O-N 2.93Å; K94-I97 WeakPolarHBondContact O-CG2 3.46Å; I97-T99 PolarHBondContact O-N 3.33Å; I97-A100 PolarHBondContact O-N 3.36Å; I97-C101 WeakPolarHBondContact O-CB 3.45Å; I97-C101 PolarHBondContact O-N 2.85Å; I97-C101 PolarHBondContact O-SG 2.83Å; I97-L123 HydrophobicContact CG1-CD1 4.34Å
98	F	95.6	Very high	93.7	Very high	13 Å²	13	71.7 Å²	71.7	6%	0.057	35%	0.349	C	S	.	.	H	α-helix	trans	-63.8	-43.6	179.4	-72.5	5.4	0	0	0	111.7	F88 K94 Y95 C101 I102 I109 L114 I117 L123	F88-F98 HydrophobicContact CE2-CE1 4.32Å; K94-F98 HydrophobicContact CB-CZ 4.47Å; K94-F98 WeakPolarHBondContact O-CB 3.36Å; K94-F98 WeakPolarHBondContact O-CD1 3.46Å; K94-F98 WeakPolarHBondContact O-CG 3.31Å; K94-F98 PolarHBondContact O-N 3.17Å; Y95-F98 PolarHBondContact O-N 3.05Å; F98-C101 PolarHBondContact O-N 2.99Å; F98-I102 WeakPolarHBondContact O-CB 3.44Å; F98-I102 WeakPolarHBondContact O-CD1 3.33Å; F98-I102 WeakPolarHBondContact O-CG1 3.41Å; F98-I102 PolarHBondContact O-N 2.98Å; F98-I109 HydrophobicContact CB-CD1 3.85Å; F98-I109 HydrophobicContact CD1-CD1 3.86Å; F98-I109 HydrophobicContact CD2-CD1 3.95Å; F98-I109 HydrophobicContact CE1-CD1 4.46Å; F98-I109 HydrophobicContact CE2-CD1 4.5Å; F98-I109 HydrophobicContact CG-CD1 3.6Å; F98-L114 HydrophobicContact CD2-CD2 3.61Å; F98-L114 HydrophobicContact CE2-CD2 3.58Å; F98-I117 HydrophobicContact CE1-CG2 3.85Å; F98-I117 HydrophobicContact CZ-CB 3.95Å; F98-I117 HydrophobicContact CZ-CG2 3.64Å; F98-L123 HydrophobicContact CD1-CD1 3.47Å; F98-L123 VanDerWaalsContact CD1-CD1 3.47Å; F98-L123 HydrophobicContact CE1-CD1 3.48Å; F98-L123 VanDerWaalsContact CE1-CD1 3.48Å
99	T	95.8	Very high	93.7	Very high	51 Å²	51	71.5 Å²	71.5	31%	0.313	35%	0.349	S	S	.	.	H	α-helix	trans	-62.8	-42.8	176.9	48.2	0	0	0	0	111.9	Y95 K96 I97 I102 T103	Y95-T99 HydrophobicContact CD1-CG2 4.43Å; Y95-T99 HydrophobicContact CD2-CG2 4.06Å; Y95-T99 HydrophobicContact CE1-CG2 4.03Å; Y95-T99 HydrophobicContact CE2-CG2 3.62Å; Y95-T99 HydrophobicContact CG-CG2 4.45Å; Y95-T99 WeakPolarHBondContact O-CB 3.24Å; Y95-T99 WeakPolarHBondContact O-CG2 3.37Å; Y95-T99 PolarHBondContact O-N 2.99Å; Y95-T99 PolarHBondContact O-OG1 3.28Å; K96-T99 PolarHBondContact O-OG1 3.27Å; I97-T99 PolarHBondContact O-N 3.33Å; T99-I102 PolarHBondContact O-N 3.38Å; T99-T103 WeakPolarHBondContact O-CG2 3.47Å; T99-T103 PolarHBondContact O-N 3.25Å; T99-T103 PolarHBondContact O-OG1 3.22Å
100	A	95.8	Very high	93.7	Very high	20 Å²	20	67.2 Å²	67.2	17%	0.165	34%	0.336	C	S	.	.	H	α-helix	trans	-61.4	-45	174.6	0	0	0	0	0	112.5	L68 L72 K96 I97 I102 T103 E104	L68-A100 HydrophobicContact CD1-CB 4.32Å; L68-A100 HydrophobicContact CD2-CB 4.16Å; L72-A100 HydrophobicContact CD1-CB 4.32Å; K96-A100 WeakPolarHBondContact O-CB 3.41Å; K96-A100 PolarHBondContact O-N 3.47Å; K96-A100 VanDerWaalsContact O-N 3.13Å; I97-A100 PolarHBondContact O-N 3.36Å; A100-I102 PolarHBondContact O-N 3.01Å; A100-T103 WeakPolarHBondContact CA-OG1 3.32Å; A100-T103 PolarHBondContact O-N 3.29Å; A100-T103 PolarHBondContact O-OG1 3.43Å; A100-E104 WeakPolarHBondContact O-CB 3.35Å; A100-E104 PolarHBondContact O-N 2.91Å
101	C	95.3	Very high	93.6	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-65	-39.5	176.9	-65.5	0	0	0	0	112.4	I97 F98 T103 E104 F105 F127	I97-C101 WeakPolarHBondContact O-CB 3.45Å; I97-C101 PolarHBondContact O-N 2.85Å; I97-C101 PolarHBondContact O-SG 2.83Å; F98-C101 PolarHBondContact O-N 2.99Å; C101-T103 VanDerWaalsContact C-N 3.3Å; C101-T103 PolarHBondContact O-N 3.01Å; C101-E104 PolarHBondContact O-N 3.46Å; C101-F105 HydrophobicContact CB-CD2 4.26Å; C101-F105 WeakPolarHBondContact O-CD2 3.44Å; C101-F105 PolarHBondContact O-N 2.92Å; C101-F127 HydrophobicContact CB-CD2 4.42Å; C101-F127 HydrophobicContact CB-CE2 3.52Å; C101-F127 HydrophobicContact CB-CZ 3.61Å
102	I	95.3	Very high	93.3	Very high	42 Å²	42	64.9 Å²	64.9	22%	0.215	33%	0.327	C	S	.	.	H	α-helix	trans	-61.8	-41	176.5	-70	164	0	0	0	110.4	F98 T99 A100 K106 H107 I109	F98-I102 WeakPolarHBondContact O-CB 3.44Å; F98-I102 WeakPolarHBondContact O-CD1 3.33Å; F98-I102 WeakPolarHBondContact O-CG1 3.41Å; F98-I102 PolarHBondContact O-N 2.98Å; T99-I102 PolarHBondContact O-N 3.38Å; A100-I102 PolarHBondContact O-N 3.01Å; I102-K106 WeakPolarHBondContact O-CA 3.22Å; I102-K106 PolarHBondContact O-N 2.87Å; I102-H107 WeakPolarHBondContact CG1-O 3.3Å; I102-I109 HydrophobicContact CD1-CG1 4.4Å; I102-I109 HydrophobicContact CG1-CG1 4.21Å
103	T	95.3	Very high	93.2	Very high	105 Å²	105	59.7 Å²	59.7	64%	0.644	30%	0.298	S	S	*	.	H	α-helix	trans	-68.9	-38.7	177.4	49.6	0	0	0	0	112.7	T99 A100 C101	T99-T103 WeakPolarHBondContact O-CG2 3.47Å; T99-T103 PolarHBondContact O-N 3.25Å; T99-T103 PolarHBondContact O-OG1 3.22Å; A100-T103 WeakPolarHBondContact CA-OG1 3.32Å; A100-T103 PolarHBondContact O-N 3.29Å; A100-T103 PolarHBondContact O-OG1 3.43Å; C101-T103 VanDerWaalsContact C-N 3.3Å; C101-T103 PolarHBondContact O-N 3.01Å
104	E	94.1	Very high	93.2	Very high	84 Å²	84	60.6 Å²	60.6	39%	0.393	30%	0.304	S	S	.	.	H	α-helix	trans	-71.6	-49.1	-177	-175	60.4	-158	0	0	112	R64 L68 A100 C101	R64-E104 IonicContact CZ-OE1 3.76Å; R64-E104 IonicContact NE-OE1 4Å; R64-E104 IonicContact NH1-OE1 2.83Å; R64-E104 PolarHBondContact NH1-OE1 2.97Å; L68-E104 HydrophobicContact CD1-CB 4.47Å; A100-E104 WeakPolarHBondContact O-CB 3.35Å; A100-E104 PolarHBondContact O-N 2.91Å; C101-E104 PolarHBondContact O-N 3.46Å
105	F	94.6	Very high	93	Very high	18 Å²	18	65.6 Å²	65.6	8%	0.079	33%	0.328	C	S	.	.	H	α-helix	trans	-90	-7.8	-177.6	-62.7	-64.3	0	0	0	113.8	Y55 P58 V61 R64 I65 C101 H107 F127	Y55-F105 HydrophobicContact CE2-CB 4.25Å; P58-F105 HydrophobicContact CG-CD1 4Å; P58-F105 HydrophobicContact CG-CE1 4.17Å; V61-F105 HydrophobicContact CB-CE1 4.31Å; V61-F105 HydrophobicContact CB-CZ 4.25Å; V61-F105 HydrophobicContact CG1-CZ 4.1Å; V61-F105 HydrophobicContact CG2-CD1 4.42Å; V61-F105 HydrophobicContact CG2-CE1 3.7Å; V61-F105 HydrophobicContact CG2-CZ 4.09Å; R64-F105 HydrophobicContact CB-CE1 4.47Å; R64-F105 HydrophobicContact CB-CZ 4Å; I65-F105 HydrophobicContact CD1-CE2 4.26Å; I65-F105 HydrophobicContact CD1-CZ 4.42Å; I65-F105 HydrophobicContact CG1-CE2 3.92Å; I65-F105 HydrophobicContact CG1-CZ 4.12Å; C101-F105 HydrophobicContact CB-CD2 4.26Å; C101-F105 WeakPolarHBondContact O-CD2 3.44Å; C101-F105 PolarHBondContact O-N 2.92Å; F105-H107 HydrophobicContact CB-CB 4.38Å; F105-H107 PolarHBondContact O-N 3.4Å; F105-H107 VanDerWaalsContact O-N 3.13Å; F105-F127 HydrophobicContact CB-CD1 4.1Å; F105-F127 HydrophobicContact CB-CE1 4.05Å; F105-F127 AromaticContact CD2-CD1 3.64Å; F105-F127 HydrophobicContact CD2-CD1 3.64Å; F105-F127 HydrophobicContact CD2-CD2 4.33Å; F105-F127 AromaticContact CD2-CE1 3.81Å; F105-F127 HydrophobicContact CD2-CE1 3.81Å; F105-F127 HydrophobicContact CD2-CE2 4.49Å; F105-F127 AromaticContact CD2-CG 3.92Å; F105-F127 HydrophobicContact CD2-CG 3.92Å; F105-F127 HydrophobicContact CD2-CZ 4.24Å; F105-F127 HydrophobicContact CE2-CB 4.45Å; F105-F127 HydrophobicContact CE2-CD1 4.33Å; F105-F127 HydrophobicContact CE2-CD2 4.41Å; F105-F127 HydrophobicContact CE2-CG 4.16Å; F105-F127 HydrophobicContact CG-CD1 4.01Å; F105-F127 HydrophobicContact CG-CE1 4.27Å
106	K	92.6	Very high	92.8	Very high	187 Å²	187	60.3 Å²	60.3	81%	0.813	31%	0.309	S	S	*	.			trans	51.5	31.7	-173.2	-58.7	178.8	-178.8	174.8	0	112.7	I102	I102-K106 WeakPolarHBondContact O-CA 3.22Å; I102-K106 PolarHBondContact O-N 2.87Å
107	H	92.3	Very high	92.7	Very high	19 Å²	19	54.5 Å²	54.5	9%	0.088	28%	0.284	C	S	.	.			trans	-126.3	127.9	-178.1	-177.1	65.3	0	0	0	110	Y55 I102 F105 Y126 F127	Y55-H107 HydrophobicContact CD2-CB 3.46Å; Y55-H107 VanDerWaalsContact CD2-CB 3.46Å; Y55-H107 AromaticContact CD2-CG 3.47Å; Y55-H107 VanDerWaalsContact CD2-CG 3.47Å; Y55-H107 AromaticContact CD2-ND1 3.71Å; Y55-H107 HydrophobicContact CE2-CB 3.52Å; Y55-H107 AromaticContact CE2-CG 3.89Å; Y55-H107 HydrophobicContact CG-CB 4.18Å; Y55-H107 AromaticContact CG-CD2 3.95Å; Y55-H107 AromaticContact CG-CE1 3.92Å; Y55-H107 AromaticContact CG-CG 3.66Å; Y55-H107 AromaticContact CG-ND1 3.65Å; I102-H107 WeakPolarHBondContact CG1-O 3.3Å; F105-H107 HydrophobicContact CB-CB 4.38Å; F105-H107 PolarHBondContact O-N 3.4Å; F105-H107 VanDerWaalsContact O-N 3.13Å; H107-Y126 AromaticContact CD2-CE1 3.75Å; H107-Y126 AromaticContact NE2-CE1 3.85Å; H107-Y126 AromaticContact NE2-CZ 3.84Å; H107-Y126 PolarHBondContact NE2-OH 3.08Å; H107-F127 HydrophobicContact CB-CE1 4.25Å
108	H	91.9	Very high	92.6	Very high	121 Å²	121	58 Å²	58	56%	0.56	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-82	144.9	-175.4	-67.5	-66.9	0	0	0	111.8	Y126	H108-Y126 PolarHBondContact O-OH 2.79Å
109	I	92.4	Very high	92.5	Very high	17 Å²	17	57.7 Å²	57.7	9%	0.087	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-91.2	121	170.7	-54.4	175.5	0	0	0	108.4	F98 I102 L114 I117 Y126 F127	F98-I109 HydrophobicContact CB-CD1 3.85Å; F98-I109 HydrophobicContact CD1-CD1 3.86Å; F98-I109 HydrophobicContact CD2-CD1 3.95Å; F98-I109 HydrophobicContact CE1-CD1 4.46Å; F98-I109 HydrophobicContact CE2-CD1 4.5Å; F98-I109 HydrophobicContact CG-CD1 3.6Å; I102-I109 HydrophobicContact CD1-CG1 4.4Å; I102-I109 HydrophobicContact CG1-CG1 4.21Å; I109-L114 HydrophobicContact CB-CD2 4.26Å; I109-L114 HydrophobicContact CG2-CD2 3.71Å; I109-I117 HydrophobicContact CG2-CD1 4.04Å; I109-Y126 WeakPolarHBondContact CA-OH 3.4Å; I109-Y126 HydrophobicContact CB-CE1 4.32Å; I109-Y126 HydrophobicContact CG1-CD1 4.26Å; I109-Y126 HydrophobicContact CG1-CE1 3.78Å; I109-Y126 HydrophobicContact CG2-CE1 4.41Å; I109-F127 HydrophobicContact CD1-CE2 4.06Å; I109-F127 HydrophobicContact CD1-CZ 3.98Å; I109-F127 HydrophobicContact CG1-CE2 4.38Å; I109-F127 HydrophobicContact CG1-CZ 3.91Å
110	A	88.7	Confident	92.3	Very high	42 Å²	42	55.4 Å²	55.4	35%	0.347	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-68.9	145.5	179.7	0	0	0	0	0	111.8	S112 Y113	A110-S112 PolarHBondContact O-N 3.28Å; A110-S112 VanDerWaalsContact O-N 3.1Å; A110-Y113 HydrophobicContact CB-CD2 3.76Å; A110-Y113 HydrophobicContact CB-CE2 4.2Å; A110-Y113 PolarHBondContact O-N 3.04Å
111	N	89.7	Confident	92.2	Very high	133 Å²	133	59.1 Å²	59.1	71%	0.711	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-54.8	-34.6	-179.1	-171.8	37.6	0	0	0	112.9	Y113 L114	N111-Y113 PolarHBondContact O-N 3Å; N111-L114 PolarHBondContact O-N 3.45Å; N111-L114 WeakPolarHBondContact OD1-CD1 3.41Å
112	S	87.9	Confident	92.1	Very high	40 Å²	40	61.2 Å²	61.2	28%	0.28	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-62	-26	177.4	55	0	0	0	0	113.8	R37 A110 H115	R37-S112 PolarHBondContact NH1-OG 3.27Å; A110-S112 PolarHBondContact O-N 3.28Å; A110-S112 VanDerWaalsContact O-N 3.1Å; S112-H115 PolarHBondContact O-CE1 2.84Å; S112-H115 PolarHBondContact O-ND1 3.26Å
113	Y	90.1	Very high	92	Very high	10 Å²	10	59.2 Å²	59.2	4%	0.039	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-93	-15.5	-177.7	-63.2	-57.6	0	0	0	113.5	F34 R37 A110 N111 H115 E116 I117 Y126	F34-Y113 AromaticContact CD2-CD1 3.21Å; F34-Y113 HydrophobicContact CD2-CD1 3.21Å; F34-Y113 AromaticContact CD2-CE1 3.4Å; F34-Y113 HydrophobicContact CD2-CE1 3.4Å; F34-Y113 HydrophobicContact CD2-CG 4.18Å; F34-Y113 AromaticContact CE2-CD1 3.24Å; F34-Y113 HydrophobicContact CE2-CD1 3.24Å; F34-Y113 AromaticContact CE2-CE1 3.46Å; F34-Y113 HydrophobicContact CE2-CE1 3.46Å; F34-Y113 VanDerWaalsContact CE2-CE1 3.46Å; F34-Y113 AromaticContact CE2-CG 3.81Å; F34-Y113 HydrophobicContact CE2-CG 3.81Å; R37-Y113 HydrophobicContact CB-CE1 4.31Å; R37-Y113 WeakPolarHBondContact CD-OH 3.44Å; R37-Y113 HydrophobicContact CG-CE1 4.21Å; R37-Y113 VanDerWaalsContact CG-OH 3.31Å; R37-Y113 WeakPolarHBondContact CG-OH 3.47Å; A110-Y113 HydrophobicContact CB-CD2 3.76Å; A110-Y113 HydrophobicContact CB-CE2 4.2Å; A110-Y113 PolarHBondContact O-N 3.04Å; N111-Y113 PolarHBondContact O-N 3Å; Y113-H115 PolarHBondContact O-N 2.84Å; Y113-H115 VanDerWaalsContact O-N 3.16Å; Y113-E116 WeakPolarHBondContact CD1-OE2 3.42Å; Y113-E116 PolarHBondContact O-N 2.85Å; Y113-I117 WeakPolarHBondContact O-CG1 3.28Å; Y113-I117 PolarHBondContact O-N 2.88Å; Y113-I117 VanDerWaalsContact O-N 3.08Å; Y113-Y126 HydrophobicContact CD2-CD2 4.34Å; Y113-Y126 AromaticContact CD2-CE2 3.57Å; Y113-Y126 HydrophobicContact CD2-CE2 3.57Å; Y113-Y126 AromaticContact CE2-CE2 3.97Å; Y113-Y126 HydrophobicContact CE2-CE2 3.97Å; Y113-Y126 HydrophobicContact CG-CE2 4.13Å
114	L	92	Very high	92	Very high	61 Å²	61	54.4 Å²	54.4	32%	0.319	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-33.7	-174.3	-63.9	-179.4	0	0	0	113.5	K94 F98 I109 N111	K94-L114 PolarHBondContact NZ-O 3.38Å; F98-L114 HydrophobicContact CD2-CD2 3.61Å; F98-L114 HydrophobicContact CE2-CD2 3.58Å; I109-L114 HydrophobicContact CB-CD2 4.26Å; I109-L114 HydrophobicContact CG2-CD2 3.71Å; N111-L114 PolarHBondContact O-N 3.45Å; N111-L114 WeakPolarHBondContact OD1-CD1 3.41Å
115	H	90.2	Very high	91.9	Very high	129 Å²	129	53.4 Å²	53.4	60%	0.597	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-21.3	179.9	73.3	-77.7	0	0	0	113.3	S112 Y113 N118	S112-H115 PolarHBondContact O-CE1 2.84Å; S112-H115 PolarHBondContact O-ND1 3.26Å; Y113-H115 PolarHBondContact O-N 2.84Å; Y113-H115 VanDerWaalsContact O-N 3.16Å; H115-N118 PolarHBondContact O-ND2 3.05Å
116	E	90.3	Very high	91.9	Very high	51 Å²	51	53.2 Å²	53.2	24%	0.238	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-38.5	-179	-62.2	178.3	171.3	0	0	111.1	F34 Y113 N118	F34-E116 WeakPolarHBondContact CA-OE2 3.38Å; F34-E116 HydrophobicContact CB-CB 4.06Å; F34-E116 WeakPolarHBondContact CB-OE2 3.41Å; F34-E116 VanDerWaalsContact CD2-OE2 3.26Å; F34-E116 WeakPolarHBondContact CD2-OE2 3.49Å; F34-E116 HydrophobicContact CG-CB 4.41Å; Y113-E116 WeakPolarHBondContact CD1-OE2 3.42Å; Y113-E116 PolarHBondContact O-N 2.85Å; E116-N118 PolarHBondContact O-N 2.9Å; E116-N118 VanDerWaalsContact O-N 3.13Å; E116-N118 PolarHBondContact O-ND2 3.33Å; E116-N118 VanDerWaalsContact O-ND2 3.16Å
117	I	92.9	Very high	92	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.23	C	C	.	.			trans	-74.4	103	179.6	-59.6	168.1	0	0	0	109.6	F34 F88 K94 F98 I109 Y113 D122 L123 Y126	F34-I117 HydrophobicContact CZ-CG1 4.4Å; F88-I117 HydrophobicContact CE2-CG2 4.45Å; K94-I117 VanDerWaalsContact CE-O 3.22Å; K94-I117 WeakPolarHBondContact CE-O 3.31Å; K94-I117 PolarHBondContact NZ-O 3.49Å; F98-I117 HydrophobicContact CE1-CG2 3.85Å; F98-I117 HydrophobicContact CZ-CB 3.95Å; F98-I117 HydrophobicContact CZ-CG2 3.64Å; I109-I117 HydrophobicContact CG2-CD1 4.04Å; Y113-I117 WeakPolarHBondContact O-CG1 3.28Å; Y113-I117 PolarHBondContact O-N 2.88Å; Y113-I117 VanDerWaalsContact O-N 3.08Å; I117-D122 HydrophobicContact CB-CB 4.43Å; I117-D122 HydrophobicContact CG2-CB 4.07Å; I117-L123 HydrophobicContact CG2-CB 3.92Å; I117-Y126 HydrophobicContact CD1-CD2 4.2Å; I117-Y126 HydrophobicContact CD1-CG 4.14Å
118	N	92.6	Very high	92.1	Very high	74 Å²	74	47.2 Å²	47.2	40%	0.396	25%	0.245	S	C	.	.			trans	-120.4	-15.5	-177	-66.9	-48.2	0	0	0	113.6	R87 F88 K94 H115 E116 D122	R87-N118 WeakPolarHBondContact CA-O 3.2Å; F88-N118 WeakPolarHBondContact CD2-O 3.36Å; F88-N118 PolarHBondContact N-O 3.24Å; K94-N118 PolarHBondContact NZ-OD1 2.93Å; H115-N118 PolarHBondContact O-ND2 3.05Å; E116-N118 PolarHBondContact O-N 2.9Å; E116-N118 VanDerWaalsContact O-N 3.13Å; E116-N118 PolarHBondContact O-ND2 3.33Å; E116-N118 VanDerWaalsContact O-ND2 3.16Å; N118-D122 PolarHBondContact N-OD2 2.88Å
119	S	92.4	Very high	92.1	Very high	8 Å²	8	42.5 Å²	42.5	6%	0.056	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-121.2	163.8	174.4	66.8	0	0	0	0	112.3	Y86 E121 D122 L123	Y86-S119 VanDerWaalsContact O-CA 3.27Å; Y86-S119 WeakPolarHBondContact O-CA 3.3Å; S119-E121 VanDerWaalsContact C-N 3.26Å; S119-D122 PolarHBondContact N-OD2 3.16Å; S119-D122 PolarHBondContact O-N 3.05Å; S119-D122 PolarHBondContact OG-N 3.44Å; S119-D122 VanDerWaalsContact OG-N 3.13Å; S119-D122 PolarHBondContact OG-OD2 3.32Å; S119-L123 PolarHBondContact O-N 3.1Å
120	I	92.9	Very high	92	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-64.5	-35.7	172.2	-64.7	-177	0	0	0	110.5	I65 L75 W83 Y86 F88 D122 L123 I124	I65-I120 HydrophobicContact CG2-CG2 3.91Å; L75-I120 HydrophobicContact CD1-CD1 3.53Å; W83-I120 HydrophobicContact CE3-CG2 3.82Å; W83-I120 HydrophobicContact CZ3-CG2 3.56Å; Y86-I120 HydrophobicContact CD1-CD1 3.83Å; Y86-I120 HydrophobicContact CD1-CG1 4.18Å; Y86-I120 HydrophobicContact CG-CD1 4.33Å; Y86-I120 PolarHBondContact O-N 3.19Å; F88-I120 HydrophobicContact CE1-CD1 4.49Å; F88-I120 HydrophobicContact CE1-CG1 3.77Å; F88-I120 HydrophobicContact CZ-CG1 3.75Å; I120-D122 PolarHBondContact O-N 3.48Å; I120-L123 WeakPolarHBondContact O-CB 3.33Å; I120-L123 PolarHBondContact O-N 3.49Å; I120-L123 VanDerWaalsContact O-N 3.14Å; I120-I124 HydrophobicContact CG2-CD1 4Å; I120-I124 HydrophobicContact CG2-CG1 4.32Å; I120-I124 WeakPolarHBondContact O-CG1 3.45Å; I120-I124 PolarHBondContact O-N 3.36Å
121	E	93	Very high	91.9	Very high	98 Å²	98	42.9 Å²	42.9	46%	0.458	23%	0.225	S	C	.	.	H	α-helix	trans	-57.8	-45.5	173.4	-176.6	174.9	-169.7	0	0	112.1	K84 S119 L123 I124 N125	K84-E121 HydrophobicContact CB-CB 4.32Å; K84-E121 WeakPolarHBondContact O-CB 3.03Å; K84-E121 PolarHBondContact O-N 3.38Å; S119-E121 VanDerWaalsContact C-N 3.26Å; E121-L123 VanDerWaalsContact C-N 3.26Å; E121-L123 PolarHBondContact O-N 2.91Å; E121-I124 PolarHBondContact O-N 3.07Å; E121-N125 WeakPolarHBondContact O-CB 3.4Å; E121-N125 VanDerWaalsContact O-CG 3.27Å; E121-N125 PolarHBondContact O-N 3.3Å; E121-N125 PolarHBondContact O-ND2 3.12Å
122	D	93	Very high	91.4	Very high	44 Å²	44	40.5 Å²	40.5	24%	0.235	21%	0.209	C	C	.	.	H	α-helix	trans	-61.2	-37.8	175.7	-58.5	-43	0	0	0	111.7	I117 N118 S119 I120 N125 Y126	I117-D122 HydrophobicContact CB-CB 4.43Å; I117-D122 HydrophobicContact CG2-CB 4.07Å; N118-D122 PolarHBondContact N-OD2 2.88Å; S119-D122 PolarHBondContact N-OD2 3.16Å; S119-D122 PolarHBondContact O-N 3.05Å; S119-D122 PolarHBondContact OG-N 3.44Å; S119-D122 VanDerWaalsContact OG-N 3.13Å; S119-D122 PolarHBondContact OG-OD2 3.32Å; I120-D122 PolarHBondContact O-N 3.48Å; D122-N125 PolarHBondContact O-N 3.1Å; D122-Y126 PolarHBondContact O-N 3.4Å
123	L	93.7	Very high	90.8	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-69.3	-41.7	177.8	-178.2	146.2	0	0	0	111.7	I65 I97 F98 I117 S119 I120 E121 N125 Y126 F127	I65-L123 HydrophobicContact CD1-CD2 3.58Å; I65-L123 HydrophobicContact CG1-CD2 3.87Å; I65-L123 HydrophobicContact CG2-CD2 3.8Å; I97-L123 HydrophobicContact CG1-CD1 4.34Å; F98-L123 HydrophobicContact CD1-CD1 3.47Å; F98-L123 VanDerWaalsContact CD1-CD1 3.47Å; F98-L123 HydrophobicContact CE1-CD1 3.48Å; F98-L123 VanDerWaalsContact CE1-CD1 3.48Å; I117-L123 HydrophobicContact CG2-CB 3.92Å; S119-L123 PolarHBondContact O-N 3.1Å; I120-L123 WeakPolarHBondContact O-CB 3.33Å; I120-L123 PolarHBondContact O-N 3.49Å; I120-L123 VanDerWaalsContact O-N 3.14Å; E121-L123 VanDerWaalsContact C-N 3.26Å; E121-L123 PolarHBondContact O-N 2.91Å; L123-N125 VanDerWaalsContact C-N 3.31Å; L123-Y126 WeakPolarHBondContact O-CB 3.46Å; L123-Y126 PolarHBondContact O-N 3.32Å; L123-F127 HydrophobicContact CD1-CE2 4.38Å; L123-F127 HydrophobicContact CD2-CD2 3.77Å; L123-F127 HydrophobicContact CD2-CE2 4.03Å; L123-F127 HydrophobicContact CG-CD2 3.96Å; L123-F127 HydrophobicContact CG-CE2 3.97Å; L123-F127 WeakPolarHBondContact O-CD2 3.45Å; L123-F127 PolarHBondContact O-N 3.29Å
124	I	94.1	Very high	90	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.015	22%	0.215	C	C	.	.	H	α-helix	trans	-59.4	-47.4	173.2	-68.4	165.3	0	0	0	109.2	E62 I65 W83 K84 I120 E121 Y126 F127 M128	E62-I124 HydrophobicContact CG-CG2 3.92Å; I65-I124 HydrophobicContact CB-CG1 4.36Å; I65-I124 HydrophobicContact CD1-CB 4.34Å; I65-I124 HydrophobicContact CD1-CG1 3.74Å; I65-I124 HydrophobicContact CG2-CG1 4.04Å; W83-I124 HydrophobicContact CH2-CD1 3.67Å; W83-I124 HydrophobicContact CZ3-CD1 3.87Å; K84-I124 HydrophobicContact CD-CD1 3.98Å; K84-I124 HydrophobicContact CG-CD1 3.89Å; I120-I124 HydrophobicContact CG2-CD1 4Å; I120-I124 HydrophobicContact CG2-CG1 4.32Å; I120-I124 WeakPolarHBondContact O-CG1 3.45Å; I120-I124 PolarHBondContact O-N 3.36Å; E121-I124 PolarHBondContact O-N 3.07Å; I124-Y126 VanDerWaalsContact C-N 3.29Å; I124-Y126 PolarHBondContact O-N 3.47Å; I124-F127 PolarHBondContact O-N 2.91Å; I124-M128 HydrophobicContact CG2-CG 3.96Å; I124-M128 VanDerWaalsContact O-CB 3.3Å; I124-M128 WeakPolarHBondContact O-CB 3.37Å; I124-M128 VanDerWaalsContact O-CG 3.25Å; I124-M128 WeakPolarHBondContact O-CG 3.1Å; I124-M128 PolarHBondContact O-N 2.91Å
125	N	93.6	Very high	89.4	Confident	64 Å²	64	41.8 Å²	41.8	34%	0.342	22%	0.218	S	C	.	.	H	α-helix	trans	-58.6	-41	177.4	-70.7	-29	0	0	0	111.7	E121 D122 L123 M128 T129	E121-N125 WeakPolarHBondContact O-CB 3.4Å; E121-N125 VanDerWaalsContact O-CG 3.27Å; E121-N125 PolarHBondContact O-N 3.3Å; E121-N125 PolarHBondContact O-ND2 3.12Å; D122-N125 PolarHBondContact O-N 3.1Å; L123-N125 VanDerWaalsContact C-N 3.31Å; N125-M128 PolarHBondContact O-N 3Å; N125-T129 WeakPolarHBondContact O-CG2 3.16Å; N125-T129 PolarHBondContact O-N 2.99Å
126	Y	94.2	Very high	89	Confident	13 Å²	13	41.7 Å²	41.7	5%	0.051	22%	0.215	C	C	.	.	H	α-helix	trans	-57.9	-55.1	174.2	-176.5	-97.5	0	0	0	111.9	F34 L38 H107 H108 I109 Y113 I117 D122 L123 I124 M128 T129	F34-Y126 AromaticContact CE2-CD2 3.81Å; F34-Y126 HydrophobicContact CE2-CD2 3.81Å; F34-Y126 AromaticContact CZ-CD2 3.59Å; F34-Y126 HydrophobicContact CZ-CD2 3.59Å; F34-Y126 HydrophobicContact CZ-CG 4.15Å; L38-Y126 HydrophobicContact CD2-CD2 4.14Å; H107-Y126 AromaticContact CD2-CE1 3.75Å; H107-Y126 AromaticContact NE2-CE1 3.85Å; H107-Y126 AromaticContact NE2-CZ 3.84Å; H107-Y126 PolarHBondContact NE2-OH 3.08Å; H108-Y126 PolarHBondContact O-OH 2.79Å; I109-Y126 WeakPolarHBondContact CA-OH 3.4Å; I109-Y126 HydrophobicContact CB-CE1 4.32Å; I109-Y126 HydrophobicContact CG1-CD1 4.26Å; I109-Y126 HydrophobicContact CG1-CE1 3.78Å; I109-Y126 HydrophobicContact CG2-CE1 4.41Å; Y113-Y126 HydrophobicContact CD2-CD2 4.34Å; Y113-Y126 AromaticContact CD2-CE2 3.57Å; Y113-Y126 HydrophobicContact CD2-CE2 3.57Å; Y113-Y126 AromaticContact CE2-CE2 3.97Å; Y113-Y126 HydrophobicContact CE2-CE2 3.97Å; Y113-Y126 HydrophobicContact CG-CE2 4.13Å; I117-Y126 HydrophobicContact CD1-CD2 4.2Å; I117-Y126 HydrophobicContact CD1-CG 4.14Å; D122-Y126 PolarHBondContact O-N 3.4Å; L123-Y126 WeakPolarHBondContact O-CB 3.46Å; L123-Y126 PolarHBondContact O-N 3.32Å; I124-Y126 VanDerWaalsContact C-N 3.29Å; I124-Y126 PolarHBondContact O-N 3.47Å; Y126-M128 VanDerWaalsContact C-N 3.29Å; Y126-M128 PolarHBondContact O-N 3.3Å; Y126-T129 PolarHBondContact O-N 2.74Å; Y126-T129 VanDerWaalsContact O-N 3.16Å; Y126-T129 PolarHBondContact O-OG1 2.95Å
127	F	94.7	Very high	88.8	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-76.2	-12.9	-177.2	-74.2	-72.2	0	0	0	114.2	Y55 P57 V61 I65 C101 F105 H107 I109 L123 I124	Y55-F127 VanDerWaalsContact CE1-O 3.27Å; Y55-F127 WeakPolarHBondContact CE1-O 3.42Å; Y55-F127 PolarHBondContact OH-O 3.43Å; P57-F127 VanDerWaalsContact CB-O 3.27Å; P57-F127 WeakPolarHBondContact CB-O 3.5Å; V61-F127 HydrophobicContact CG1-CB 3.76Å; I65-F127 HydrophobicContact CD1-CB 4.41Å; I65-F127 HydrophobicContact CD1-CD2 4.46Å; C101-F127 HydrophobicContact CB-CD2 4.42Å; C101-F127 HydrophobicContact CB-CE2 3.52Å; C101-F127 HydrophobicContact CB-CZ 3.61Å; F105-F127 HydrophobicContact CB-CD1 4.1Å; F105-F127 HydrophobicContact CB-CE1 4.05Å; F105-F127 AromaticContact CD2-CD1 3.64Å; F105-F127 HydrophobicContact CD2-CD1 3.64Å; F105-F127 HydrophobicContact CD2-CD2 4.33Å; F105-F127 AromaticContact CD2-CE1 3.81Å; F105-F127 HydrophobicContact CD2-CE1 3.81Å; F105-F127 HydrophobicContact CD2-CE2 4.49Å; F105-F127 AromaticContact CD2-CG 3.92Å; F105-F127 HydrophobicContact CD2-CG 3.92Å; F105-F127 HydrophobicContact CD2-CZ 4.24Å; F105-F127 HydrophobicContact CE2-CB 4.45Å; F105-F127 HydrophobicContact CE2-CD1 4.33Å; F105-F127 HydrophobicContact CE2-CD2 4.41Å; F105-F127 HydrophobicContact CE2-CG 4.16Å; F105-F127 HydrophobicContact CG-CD1 4.01Å; F105-F127 HydrophobicContact CG-CE1 4.27Å; H107-F127 HydrophobicContact CB-CE1 4.25Å; I109-F127 HydrophobicContact CD1-CE2 4.06Å; I109-F127 HydrophobicContact CD1-CZ 3.98Å; I109-F127 HydrophobicContact CG1-CE2 4.38Å; I109-F127 HydrophobicContact CG1-CZ 3.91Å; L123-F127 HydrophobicContact CD1-CE2 4.38Å; L123-F127 HydrophobicContact CD2-CD2 3.77Å; L123-F127 HydrophobicContact CD2-CE2 4.03Å; L123-F127 HydrophobicContact CG-CD2 3.96Å; L123-F127 HydrophobicContact CG-CE2 3.97Å; L123-F127 WeakPolarHBondContact O-CD2 3.45Å; L123-F127 PolarHBondContact O-N 3.29Å; I124-F127 PolarHBondContact O-N 2.91Å
128	M	93.9	Very high	88.3	Confident	81 Å²	81	48.4 Å²	48.4	40%	0.399	25%	0.245	S	C	.	.	H	α-helix	trans	-82.6	-16.7	169.6	-75.8	-63.7	-68.8	0	0	112.5	V61 I124 N125 Y126 P130	V61-M128 HydrophobicContact CB-CG 4.42Å; V61-M128 HydrophobicContact CB-SD 3.64Å; V61-M128 HydrophobicContact CG1-CG 4Å; V61-M128 HydrophobicContact CG1-SD 3.89Å; V61-M128 HydrophobicContact CG2-SD 4.19Å; I124-M128 HydrophobicContact CG2-CG 3.96Å; I124-M128 VanDerWaalsContact O-CB 3.3Å; I124-M128 WeakPolarHBondContact O-CB 3.37Å; I124-M128 VanDerWaalsContact O-CG 3.25Å; I124-M128 WeakPolarHBondContact O-CG 3.1Å; I124-M128 PolarHBondContact O-N 2.91Å; N125-M128 PolarHBondContact O-N 3Å; Y126-M128 VanDerWaalsContact C-N 3.29Å; Y126-M128 PolarHBondContact O-N 3.3Å; M128-P130 WeakPolarHBondContact O-CD 3.33Å
129	T	91.5	Very high	87.9	Confident	22 Å²	22	47.4 Å²	47.4	14%	0.135	24%	0.237	C	C	.	.	S	Bend	trans	-79.7	120.4	-178.7	59.9	0	0	0	0	111.4	L38 N125 Y126	L38-T129 HydrophobicContact CB-CG2 3.79Å; L38-T129 HydrophobicContact CD1-CG2 3.58Å; L38-T129 HydrophobicContact CD2-CG2 4.19Å; L38-T129 WeakPolarHBondContact CD2-OG1 3.4Å; L38-T129 HydrophobicContact CG-CG2 4.05Å; N125-T129 WeakPolarHBondContact O-CG2 3.16Å; N125-T129 PolarHBondContact O-N 2.99Å; Y126-T129 PolarHBondContact O-N 2.74Å; Y126-T129 VanDerWaalsContact O-N 3.16Å; Y126-T129 PolarHBondContact O-OG1 2.95Å
130	P	90.2	Very high	87.6	Confident	55 Å²	55	49.4 Å²	49.4	36%	0.357	25%	0.247	S	C	.	.			trans	-71.4	142.2	174.1	29.7	-32.8	0	0	0	110.3	V42 P57 M128	V42-P130 HydrophobicContact CG2-CG 4.17Å; P57-P130 HydrophobicContact CG-CB 4.33Å; M128-P130 WeakPolarHBondContact O-CD 3.33Å
131	V	86	Confident	87.3	Confident	12 Å²	12	50.6 Å²	50.6	7%	0.073	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-118.5	113.5	176	-175	0	0	0	0	108.3	L41 H52 P54 Y55	L41-V131 HydrophobicContact CD1-CG2 4.33Å; H52-V131 HydrophobicContact CB-CG1 3.91Å; P54-V131 WeakPolarHBondContact CA-O 3.13Å; Y55-V131 PolarHBondContact N-O 3.31Å; Y55-V131 PolarHBondContact O-N 2.51Å
132	E	79.2	Confident	86.9	Confident	82 Å²	82	48.3 Å²	48.3	38%	0.383	25%	0.249	S	C	.	.			trans	-87.4	141	171.7	-69.1	-165.8	-163.6	0	0	110.6	K44 K139	K44-E132 WeakPolarHBondContact CE-OE1 3.1Å; K44-E132 WeakPolarHBondContact CE-OE2 2.78Å; K44-E132 IonicContact NZ-OE1 3.47Å; K44-E132 PolarHBondContact NZ-OE1 2.89Å; E132-K139 IonicContact OE2-NZ 2.75Å; E132-K139 PolarHBondContact OE2-NZ 3.22Å
133	T	76.6	Confident	86.6	Confident	21 Å²	21	47.9 Å²	47.9	13%	0.129	25%	0.247	C	C	.	.			trans	-75.2	141.1	169.2	48.1	0	0	0	0	111	H52 P54 D135	H52-T133 WeakPolarHBondContact O-CG2 3.21Å; P54-T133 HydrophobicContact CB-CG2 3.49Å; P54-T133 VanDerWaalsContact CB-CG2 3.49Å; P54-T133 HydrophobicContact CG-CG2 3.57Å; T133-D135 PolarHBondContact O-N 3.49Å
134	P	72.7	Confident	86.3	Confident	50 Å²	50	49 Å²	49	33%	0.325	26%	0.256	S	S	.	.	S	Bend	trans	-71	-16.2	168.2	31.4	-35.8	0	0	0	112.6	M50 F136	M50-P134 WeakPolarHBondContact O-CG 3.33Å; P134-F136 PolarHBondContact O-N 2.96Å; P134-F136 VanDerWaalsContact O-N 3.1Å
135	D	80.2	Confident	85.9	Confident	68 Å²	68	56.1 Å²	56.1	36%	0.364	29%	0.289	S	S	.	.			trans	-70.8	107.9	179.2	-166.3	-20.3	0	0	0	111	T133 L137 Y138 K139	T133-D135 PolarHBondContact O-N 3.49Å; D135-L137 PolarHBondContact O-N 3.13Å; D135-L137 WeakPolarHBondContact OD1-CB 3.49Å; D135-L137 PolarHBondContact OD1-N 3.06Å; D135-Y138 HydrophobicContact CB-CD2 3.82Å; D135-Y138 PolarHBondContact O-N 3.32Å; D135-Y138 WeakPolarHBondContact OD2-CD2 3.42Å; D135-Y138 WeakPolarHBondContact OD2-CE2 3.46Å; D135-K139 PolarHBondContact O-N 3.27Å; D135-K139 VanDerWaalsContact O-N 3.1Å
136	F	82.3	Confident	85.5	Confident	126 Å²	126	58.1 Å²	58.1	55%	0.553	30%	0.3	S	S	*	.	H	α-helix	trans	-60.1	-31.8	179.4	-173.6	-100.3	0	0	0	112.6	P134 K139 L140	P134-F136 PolarHBondContact O-N 2.96Å; P134-F136 VanDerWaalsContact O-N 3.1Å; F136-K139 PolarHBondContact O-N 3.38Å; F136-L140 HydrophobicContact CD1-CD1 4.41Å; F136-L140 HydrophobicContact CE1-CD1 3.57Å; F136-L140 HydrophobicContact CZ-CD1 3.93Å; F136-L140 VanDerWaalsContact O-CB 3.28Å; F136-L140 WeakPolarHBondContact O-CB 3.48Å; F136-L140 PolarHBondContact O-N 2.96Å
137	L	84.5	Confident	84.9	Confident	78 Å²	78	64.6 Å²	64.6	41%	0.408	34%	0.335	S	S	.	.	H	α-helix	trans	-68.9	-43.9	-179.5	-170.1	70.4	0	0	0	111.3	D135 L140 T141 I157 L159	D135-L137 PolarHBondContact O-N 3.13Å; D135-L137 WeakPolarHBondContact OD1-CB 3.49Å; D135-L137 PolarHBondContact OD1-N 3.06Å; L137-L140 PolarHBondContact O-N 3.13Å; L137-T141 PolarHBondContact O-N 3.36Å; L137-T141 PolarHBondContact O-OG1 3.36Å; L137-I157 HydrophobicContact CD1-CG2 3.69Å; L137-I157 HydrophobicContact CG-CG2 4.05Å; L137-L159 HydrophobicContact CD2-CD2 4.39Å; L137-L159 HydrophobicContact CG-CD2 4.33Å
138	Y	83.6	Confident	84.4	Confident	114 Å²	114	70 Å²	70	45%	0.447	36%	0.363	S	S	.	.	H	α-helix	trans	-62.5	-46.8	174.5	-82.8	-90.1	0	0	0	110.8	D135 L140 T141 S142 L159	D135-Y138 HydrophobicContact CB-CD2 3.82Å; D135-Y138 PolarHBondContact O-N 3.32Å; D135-Y138 WeakPolarHBondContact OD2-CD2 3.42Å; D135-Y138 WeakPolarHBondContact OD2-CE2 3.46Å; Y138-L140 PolarHBondContact O-N 2.93Å; Y138-T141 WeakPolarHBondContact O-CB 3.48Å; Y138-T141 PolarHBondContact O-N 2.88Å; Y138-T141 VanDerWaalsContact O-N 3.12Å; Y138-S142 PolarHBondContact O-N 2.9Å; Y138-S142 PolarHBondContact O-OG 2.93Å; Y138-L159 HydrophobicContact CD1-CD2 3.77Å; Y138-L159 HydrophobicContact CD2-CD2 4.08Å; Y138-L159 HydrophobicContact CE1-CD2 3.83Å; Y138-L159 HydrophobicContact CE2-CD2 4.15Å; Y138-L159 HydrophobicContact CG-CD2 3.91Å
139	K	83.6	Confident	84	Confident	53 Å²	53	68.9 Å²	68.9	23%	0.23	36%	0.363	C	S	.	.	H	α-helix	trans	-57.5	-48	177.3	-177.8	170.1	-174.1	152.5	0	112.4	E132 D135 F136 T141 S142 D143	E132-K139 IonicContact OE2-NZ 2.75Å; E132-K139 PolarHBondContact OE2-NZ 3.22Å; D135-K139 PolarHBondContact O-N 3.27Å; D135-K139 VanDerWaalsContact O-N 3.1Å; F136-K139 PolarHBondContact O-N 3.38Å; K139-T141 PolarHBondContact O-N 3.44Å; K139-S142 WeakPolarHBondContact CA-OG 3.45Å; K139-S142 PolarHBondContact O-N 3.46Å; K139-S142 PolarHBondContact O-OG 3.45Å; K139-D143 VanDerWaalsContact O-CB 3.3Å; K139-D143 WeakPolarHBondContact O-CB 3.38Å; K139-D143 PolarHBondContact O-N 2.93Å
140	L	86.1	Confident	83.7	Confident	50 Å²	50	77.1 Å²	77.1	26%	0.262	40%	0.4	S	S	.	.	H	α-helix	trans	-62.5	-35.5	179.2	-162.3	151.6	0	0	0	111	F136 L137 Y138 A144 L151 I157	F136-L140 HydrophobicContact CD1-CD1 4.41Å; F136-L140 HydrophobicContact CE1-CD1 3.57Å; F136-L140 HydrophobicContact CZ-CD1 3.93Å; F136-L140 VanDerWaalsContact O-CB 3.28Å; F136-L140 WeakPolarHBondContact O-CB 3.48Å; F136-L140 PolarHBondContact O-N 2.96Å; L137-L140 PolarHBondContact O-N 3.13Å; Y138-L140 PolarHBondContact O-N 2.93Å; L140-A144 VanDerWaalsContact O-CB 3.3Å; L140-A144 WeakPolarHBondContact O-CB 3.49Å; L140-A144 PolarHBondContact O-N 2.86Å; L140-L151 HydrophobicContact CD2-CD1 3.87Å; L140-L151 HydrophobicContact CD2-CD2 4.17Å; L140-L151 HydrophobicContact CD2-CG 4.09Å; L140-I157 HydrophobicContact CD2-CD1 3.16Å; L140-I157 HydrophobicContact CD2-CG1 4.45Å; L140-I157 HydrophobicContact CG-CD1 4.45Å
141	T	86.9	Confident	83.6	Confident	28 Å²	28	76.7 Å²	76.7	17%	0.172	39%	0.394	C	S	.	.	H	α-helix	trans	-70.4	-43.3	176	-49.7	0	0	0	0	112.5	L137 Y138 K139 A144 Q145 I157 L159	L137-T141 PolarHBondContact O-N 3.36Å; L137-T141 PolarHBondContact O-OG1 3.36Å; Y138-T141 WeakPolarHBondContact O-CB 3.48Å; Y138-T141 PolarHBondContact O-N 2.88Å; Y138-T141 VanDerWaalsContact O-N 3.12Å; K139-T141 PolarHBondContact O-N 3.44Å; T141-A144 WeakPolarHBondContact O-CB 3.21Å; T141-A144 PolarHBondContact O-N 3.34Å; T141-Q145 PolarHBondContact O-N 3.33Å; T141-I157 WeakPolarHBondContact OG1-CG2 3.41Å; T141-L159 HydrophobicContact CG2-CD1 3.7Å; T141-L159 HydrophobicContact CG2-CG 4.34Å
142	S	84.5	Confident	83.8	Confident	49 Å²	49	79.6 Å²	79.6	34%	0.343	41%	0.413	S	S	.	.	H	α-helix	trans	-64.9	-41.7	175.7	58.2	0	0	0	0	111.8	Y138 K139 A144 Q145 N146	Y138-S142 PolarHBondContact O-N 2.9Å; Y138-S142 PolarHBondContact O-OG 2.93Å; K139-S142 WeakPolarHBondContact CA-OG 3.45Å; K139-S142 PolarHBondContact O-N 3.46Å; K139-S142 PolarHBondContact O-OG 3.45Å; S142-A144 VanDerWaalsContact C-N 3.3Å; S142-A144 PolarHBondContact O-N 3.22Å; S142-Q145 PolarHBondContact O-N 2.81Å; S142-N146 WeakPolarHBondContact O-CB 3.38Å; S142-N146 VanDerWaalsContact O-CG 3.29Å; S142-N146 PolarHBondContact O-N 3.1Å; S142-N146 PolarHBondContact O-ND2 3.12Å
143	D	86.7	Confident	84.3	Confident	35 Å²	35	82.1 Å²	82.1	19%	0.187	44%	0.44	C	S	.	.	H	α-helix	trans	-65.7	-35.9	178.4	-68.3	-7.2	0	0	0	111.2	K139 N147 I148 C149	K139-D143 VanDerWaalsContact O-CB 3.3Å; K139-D143 WeakPolarHBondContact O-CB 3.38Å; K139-D143 PolarHBondContact O-N 2.93Å; D143-N147 PolarHBondContact O-N 3.13Å; D143-I148 HydrophobicContact CB-CB 4.29Å; D143-I148 PolarHBondContact O-N 3.04Å; D143-C149 HydrophobicContact CB-CB 4.07Å; D143-C149 PolarHBondContact O-N 3.46Å
144	A	87.2	Confident	85	Confident	24 Å²	24	88.2 Å²	88.2	20%	0.198	47%	0.472	C	S	.	.	H	α-helix	trans	-62.2	-49.7	172.2	0	0	0	0	0	111.8	L140 T141 S142 N146 N147 L151	L140-A144 VanDerWaalsContact O-CB 3.3Å; L140-A144 WeakPolarHBondContact O-CB 3.49Å; L140-A144 PolarHBondContact O-N 2.86Å; T141-A144 WeakPolarHBondContact O-CB 3.21Å; T141-A144 PolarHBondContact O-N 3.34Å; S142-A144 VanDerWaalsContact C-N 3.3Å; S142-A144 PolarHBondContact O-N 3.22Å; A144-N146 VanDerWaalsContact C-N 3.32Å; A144-N146 PolarHBondContact O-N 2.77Å; A144-N147 PolarHBondContact O-N 3Å; A144-N147 VanDerWaalsContact O-N 3.11Å; A144-L151 HydrophobicContact CB-CD1 3.33Å; A144-L151 HydrophobicContact CB-CD2 3.67Å; A144-L151 HydrophobicContact CB-CG 4.1Å
145	Q	84.9	Confident	85.8	Confident	154 Å²	154	89.7 Å²	89.7	72%	0.72	48%	0.477	S	S	*	.	H	α-helix	trans	-64.9	-37.2	-178.8	-177.4	175.4	-12.5	0	0	112	T141 S142 N147	T141-Q145 PolarHBondContact O-N 3.33Å; S142-Q145 PolarHBondContact O-N 2.81Å; Q145-N147 PolarHBondContact O-N 3.22Å
146	N	85.6	Confident	86.2	Confident	106 Å²	106	92.7 Å²	92.7	57%	0.567	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	4.4	176.5	-67.2	-31	0	0	0	113.3	S142 A144 I148	S142-N146 WeakPolarHBondContact O-CB 3.38Å; S142-N146 VanDerWaalsContact O-CG 3.29Å; S142-N146 PolarHBondContact O-N 3.1Å; S142-N146 PolarHBondContact O-ND2 3.12Å; A144-N146 VanDerWaalsContact C-N 3.32Å; A144-N146 PolarHBondContact O-N 2.77Å; N146-I148 HydrophobicContact CB-CD1 3.83Å; N146-I148 HydrophobicContact CB-CG1 3.91Å; N146-I148 PolarHBondContact O-N 3Å; N146-I148 VanDerWaalsContact O-N 3.17Å
147	N	81.9	Confident	86.5	Confident	148 Å²	148	88.3 Å²	88.3	79%	0.791	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	23.6	-177.2	-56.4	-68.9	0	0	0	114.6	D143 A144 Q145	D143-N147 PolarHBondContact O-N 3.13Å; A144-N147 PolarHBondContact O-N 3Å; A144-N147 VanDerWaalsContact O-N 3.11Å; Q145-N147 PolarHBondContact O-N 3.22Å
148	I	85.2	Confident	86.6	Confident	115 Å²	115	90.5 Å²	90.5	59%	0.59	48%	0.483	S	S	*	.	S	Bend	trans	-77	-40.6	176.3	-58.6	169.6	0	0	0	109.5	D143 N146	D143-I148 HydrophobicContact CB-CB 4.29Å; D143-I148 PolarHBondContact O-N 3.04Å; N146-I148 HydrophobicContact CB-CD1 3.83Å; N146-I148 HydrophobicContact CB-CG1 3.91Å; N146-I148 PolarHBondContact O-N 3Å; N146-I148 VanDerWaalsContact O-N 3.17Å
149	C	83.5	Confident	86.7	Confident	57 Å²	57	88 Å²	88	39%	0.385	48%	0.477	S	S	.	.	S	Bend	trans	-121	118.1	-179.9	-71.6	0	0	0	0	109.8	D143 L151	D143-C149 HydrophobicContact CB-CB 4.07Å; D143-C149 PolarHBondContact O-N 3.46Å; C149-L151 WeakPolarHBondContact O-CD1 3.29Å; C149-L151 PolarHBondContact O-N 3.06Å
150	Q	85.9	Confident	86.8	Confident	195 Å²	195	91.5 Å²	91.5	91%	0.911	49%	0.494	S	S	*	.			trans	-76.9	114.6	174.4	-172.4	169.2	2.6	0	0	110.2
151	L	88.3	Confident	86.7	Confident	45 Å²	45	93.1 Å²	93.1	24%	0.236	51%	0.507	C	S	.	.			trans	-73.4	144.4	174.9	-87.7	53	0	0	0	110.4	L140 A144 C149 L155 I157	L140-L151 HydrophobicContact CD2-CD1 3.87Å; L140-L151 HydrophobicContact CD2-CD2 4.17Å; L140-L151 HydrophobicContact CD2-CG 4.09Å; A144-L151 HydrophobicContact CB-CD1 3.33Å; A144-L151 HydrophobicContact CB-CD2 3.67Å; A144-L151 HydrophobicContact CB-CG 4.1Å; C149-L151 WeakPolarHBondContact O-CD1 3.29Å; C149-L151 PolarHBondContact O-N 3.06Å; L151-L155 HydrophobicContact CB-CD2 4.44Å; L151-L155 HydrophobicContact CD2-CD2 3.77Å; L151-L155 HydrophobicContact CG-CD2 3.91Å; L151-I157 HydrophobicContact CD2-CD1 3.57Å; L151-I157 HydrophobicContact CD2-CG1 4.17Å
152	P	91.2	Very high	86.6	Confident	73 Å²	73	94.9 Å²	94.9	47%	0.474	52%	0.518	S	S	.	.			trans	-54.8	142.1	168.8	-24.1	33.8	0	0	0	111.1	N154 L155	P152-N154 VanDerWaalsContact CB-OD1 3.31Å; P152-N154 WeakPolarHBondContact CB-OD1 3.5Å; P152-N154 PolarHBondContact O-N 2.75Å; P152-L155 HydrophobicContact CB-CB 4.09Å; P152-L155 HydrophobicContact CG-CB 4.33Å; P152-L155 HydrophobicContact CG-CD1 4.48Å; P152-L155 WeakPolarHBondContact O-CB 3.35Å; P152-L155 PolarHBondContact O-N 3.43Å
153	S	89.5	Confident	86.6	Confident	136 Å²	136	95.7 Å²	95.7	95%	0.951	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.9	-175.9	54.9	0	0	0	0	114.4
154	N	91.7	Very high	86.6	Confident	148 Å²	148	96.3 Å²	96.3	79%	0.791	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	5.7	175.7	66.9	-34	0	0	0	113.8	P152	P152-N154 VanDerWaalsContact CB-OD1 3.31Å; P152-N154 WeakPolarHBondContact CB-OD1 3.5Å; P152-N154 PolarHBondContact O-N 2.75Å
155	L	89.4	Confident	86.6	Confident	82 Å²	82	95.9 Å²	95.9	43%	0.429	51%	0.508	S	S	.	.			trans	-108.7	112.5	-177	-167	142.4	0	0	0	109.9	L151 P152 I157	L151-L155 HydrophobicContact CB-CD2 4.44Å; L151-L155 HydrophobicContact CD2-CD2 3.77Å; L151-L155 HydrophobicContact CG-CD2 3.91Å; P152-L155 HydrophobicContact CB-CB 4.09Å; P152-L155 HydrophobicContact CG-CB 4.33Å; P152-L155 HydrophobicContact CG-CD1 4.48Å; P152-L155 WeakPolarHBondContact O-CB 3.35Å; P152-L155 PolarHBondContact O-N 3.43Å; L155-I157 HydrophobicContact CD2-CD1 4Å; L155-I157 HydrophobicContact CD2-CG1 3.65Å
156	N	87.2	Confident	86.5	Confident	131 Å²	131	90.9 Å²	90.9	70%	0.701	49%	0.489	S	S	*	.			trans	-115.4	131.9	172	179.9	43	0	0	0	109.2
157	I	89.4	Confident	86.4	Confident	33 Å²	33	92.1 Å²	92.1	17%	0.169	50%	0.495	C	S	.	.			trans	-102.7	123.9	-177	-57.6	169.3	0	0	0	109.2	L137 L140 T141 L151 L155	L137-I157 HydrophobicContact CD1-CG2 3.69Å; L137-I157 HydrophobicContact CG-CG2 4.05Å; L140-I157 HydrophobicContact CD2-CD1 3.16Å; L140-I157 HydrophobicContact CD2-CG1 4.45Å; L140-I157 HydrophobicContact CG-CD1 4.45Å; T141-I157 WeakPolarHBondContact OG1-CG2 3.41Å; L151-I157 HydrophobicContact CD2-CD1 3.57Å; L151-I157 HydrophobicContact CD2-CG1 4.17Å; L155-I157 HydrophobicContact CD2-CD1 4Å; L155-I157 HydrophobicContact CD2-CG1 3.65Å
158	Q	86.7	Confident	86.5	Confident	124 Å²	124	89.2 Å²	89.2	58%	0.579	48%	0.477	S	S	*	.			trans	-106.3	100.7	174.4	-67	179.1	-20.1	0	0	108.7
159	L	85.6	Confident	85.9	Confident	62 Å²	62	91.8 Å²	91.8	33%	0.325	49%	0.492	S	S	.	.	S	Bend	trans	-68.9	-39.7	175.1	-72.9	159.6	0	0	0	111.3	L137 Y138 T141	L137-L159 HydrophobicContact CD2-CD2 4.39Å; L137-L159 HydrophobicContact CG-CD2 4.33Å; Y138-L159 HydrophobicContact CD1-CD2 3.77Å; Y138-L159 HydrophobicContact CD2-CD2 4.08Å; Y138-L159 HydrophobicContact CE1-CD2 3.83Å; Y138-L159 HydrophobicContact CE2-CD2 4.15Å; Y138-L159 HydrophobicContact CG-CD2 3.91Å; T141-L159 HydrophobicContact CG2-CD1 3.7Å; T141-L159 HydrophobicContact CG2-CG 4.34Å
160	E	85.5	Confident	85.6	Confident	127 Å²	127	92.3 Å²	92.3	59%	0.593	49%	0.491	S	S	*	.	S	Bend	trans	-96.8	126.2	-178.9	-57.5	-146.6	115.7	0	0	111.3	V162 K192	E160-V162 PolarHBondContact O-N 3.22Å; E160-K192 IonicContact OE1-NZ 3.62Å; E160-K192 PolarHBondContact OE1-NZ 2.72Å
161	P	83.6	Confident	85.5	Confident	83 Å²	83	90.7 Å²	90.7	54%	0.539	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-68.6	120	175.5	27.3	-32.6	0	0	0	109.9	H193	P161-H193 PolarHBondContact O-CE1 3.06Å
162	V	85	Confident	85.4	Confident	65 Å²	65	92.8 Å²	92.8	39%	0.394	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-78.9	124	171.5	-177.1	0	0	0	0	108.1	E160 N170 F171 F172	E160-V162 PolarHBondContact O-N 3.22Å; V162-N170 HydrophobicContact CG1-CB 4.49Å; V162-F171 HydrophobicContact CG1-CB 4.22Å; V162-F172 HydrophobicContact CB-CD2 4.48Å; V162-F172 HydrophobicContact CB-CE2 3.94Å; V162-F172 HydrophobicContact CG1-CD2 3.93Å; V162-F172 HydrophobicContact CG1-CE2 3.88Å; V162-F172 WeakPolarHBondContact O-CE2 3.31Å
163	R	85.4	Confident	85	Confident	66 Å²	66	98.8 Å²	98.8	25%	0.249	51%	0.507	C	S	.	.			trans	-107.7	146.8	178.2	-166.3	175.2	-177.7	-114.1	5.4	110	N165 T182 V184 P194	R163-N165 PolarHBondContact O-N 2.83Å; R163-T182 PolarHBondContact NH1-O 2.9Å; R163-T182 PolarHBondContact NH2-O 3.35Å; R163-V184 VanDerWaalsContact NH1-CG2 3.3Å; R163-V184 VanDerWaalsContact NH2-CG2 3.3Å; R163-P194 PolarHBondContact NH1-O 3.43Å
164	Y	86.6	Confident	84.7	Confident	48 Å²	48	95.6 Å²	95.6	19%	0.188	49%	0.489	C	S	.	.			trans	-63.6	123.3	168.9	172.8	-97.1	0	0	0	111	P166 F172 A174 N175	Y164-P166 HydrophobicContact CE1-CB 4.28Å; Y164-P166 HydrophobicContact CE1-CG 4.13Å; Y164-F172 HydrophobicContact CD2-CB 4.04Å; Y164-F172 VanDerWaalsContact CD2-O 3.31Å; Y164-F172 WeakPolarHBondContact CD2-O 3.22Å; Y164-A174 VanDerWaalsContact CD2-C 3.49Å; Y164-N175 HydrophobicContact CD1-CB 3.52Å; Y164-N175 HydrophobicContact CD2-CB 4.49Å; Y164-N175 HydrophobicContact CE1-CB 3.73Å; Y164-N175 HydrophobicContact CG-CB 3.89Å
165	N	85.4	Confident	84.4	Confident	16 Å²	16	89.7 Å²	89.7	9%	0.086	46%	0.457	C	S	.	.			trans	-135.4	119.7	165.8	-177.2	-5.9	0	0	0	107.5	R163 N167 E168	R163-N165 PolarHBondContact O-N 2.83Å; N165-N167 PolarHBondContact O-N 3.47Å; N165-N167 PolarHBondContact OD1-N 3.22Å; N165-N167 VanDerWaalsContact OD1-N 3.13Å; N165-E168 HydrophobicContact CB-CB 4.11Å; N165-E168 HydrophobicContact CB-CG 4.19Å; N165-E168 PolarHBondContact ND2-OE1 3.45Å; N165-E168 PolarHBondContact O-N 3.37Å
166	P	83.4	Confident	84.1	Confident	49 Å²	49	90.1 Å²	90.1	32%	0.318	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-13.6	-177.2	26.6	-32.1	0	0	0	114.2	Y164 Y196	Y164-P166 HydrophobicContact CE1-CB 4.28Å; Y164-P166 HydrophobicContact CE1-CG 4.13Å; P166-Y196 HydrophobicContact CG-CD1 3.62Å; P166-Y196 HydrophobicContact CG-CD2 3.6Å; P166-Y196 HydrophobicContact CG-CE1 3.3Å; P166-Y196 HydrophobicContact CG-CE2 3.29Å; P166-Y196 HydrophobicContact CG-CG 3.75Å
167	N	84.3	Confident	84.1	Confident	131 Å²	131	92.1 Å²	92.1	70%	0.701	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-19	174.8	-60.9	-19.8	0	0	0	111.8	N165	N165-N167 PolarHBondContact O-N 3.47Å; N165-N167 PolarHBondContact OD1-N 3.22Å; N165-N167 VanDerWaalsContact OD1-N 3.13Å
168	E	83.4	Confident	83.8	Confident	87 Å²	87	94.7 Å²	94.7	41%	0.407	49%	0.491	S	S	.	.	S	Bend	trans	-103.1	129.2	177.9	-65.4	166.1	-156.3	0	0	107.5	N165 N170	N165-E168 HydrophobicContact CB-CB 4.11Å; N165-E168 HydrophobicContact CB-CG 4.19Å; N165-E168 PolarHBondContact ND2-OE1 3.45Å; N165-E168 PolarHBondContact O-N 3.37Å; E168-N170 PolarHBondContact O-N 3.18Å; E168-N170 PolarHBondContact OE2-ND2 3.29Å
169	D	73.6	Confident	83.6	Confident	170 Å²	170	89.5 Å²	89.5	91%	0.909	47%	0.471	S	S	*	.			trans	-78.3	60.5	174.8	-166.2	24.4	0	0	0	110.3
170	N	77.2	Confident	83.7	Confident	67 Å²	67	93.5 Å²	93.5	36%	0.358	48%	0.481	S	S	.	.			trans	-88.4	171.9	179.8	-73.5	-19.7	0	0	0	111.1	V162 E168 F172	V162-N170 HydrophobicContact CG1-CB 4.49Å; E168-N170 PolarHBondContact O-N 3.18Å; E168-N170 PolarHBondContact OE2-ND2 3.29Å; N170-F172 PolarHBondContact O-N 2.83Å
171	F	82.6	Confident	84	Confident	162 Å²	162	89.5 Å²	89.5	71%	0.711	47%	0.467	S	S	*	.	S	Bend	trans	-42.4	-34.2	-179.1	-174.1	-100.1	0	0	0	115.9	V162	V162-F171 HydrophobicContact CG1-CB 4.22Å
172	F	85.7	Confident	84.3	Confident	89 Å²	89	86.9 Å²	86.9	39%	0.39	45%	0.45	S	S	.	.			trans	-94.6	115.8	-178.4	-63.2	-72.6	0	0	0	112.3	V162 Y164 N170	V162-F172 HydrophobicContact CB-CD2 4.48Å; V162-F172 HydrophobicContact CB-CE2 3.94Å; V162-F172 HydrophobicContact CG1-CD2 3.93Å; V162-F172 HydrophobicContact CG1-CE2 3.88Å; V162-F172 WeakPolarHBondContact O-CE2 3.31Å; Y164-F172 HydrophobicContact CD2-CB 4.04Å; Y164-F172 VanDerWaalsContact CD2-O 3.31Å; Y164-F172 WeakPolarHBondContact CD2-O 3.22Å; N170-F172 PolarHBondContact O-N 2.83Å
173	K	83.8	Confident	84.6	Confident	199 Å²	199	88.1 Å²	88.1	87%	0.865	45%	0.453	S	S	*	.	S	Bend	trans	-80	-24.8	176.1	-62	-176.7	180	-176.4	0	114.3
174	A	82.7	Confident	84.8	Confident	69 Å²	69	86.1 Å²	86.1	57%	0.57	45%	0.448	S	S	*	.	S	Bend	trans	-139.3	150.5	179	0	0	0	0	0	110	Y164	Y164-A174 VanDerWaalsContact CD2-C 3.49Å
175	N	85.7	Confident	85.1	Confident	23 Å²	23	88.8 Å²	88.8	12%	0.123	47%	0.474	C	S	.	.			trans	-80.4	161.6	167.7	58.1	-4.9	0	0	0	110.9	Y164 Y177 P178 R180 T182	Y164-N175 HydrophobicContact CD1-CB 3.52Å; Y164-N175 HydrophobicContact CD2-CB 4.49Å; Y164-N175 HydrophobicContact CE1-CB 3.73Å; Y164-N175 HydrophobicContact CG-CB 3.89Å; N175-Y177 VanDerWaalsContact CG-O 3.3Å; N175-Y177 PolarHBondContact ND2-O 3.31Å; N175-Y177 PolarHBondContact O-N 2.76Å; N175-Y177 VanDerWaalsContact O-N 3.13Å; N175-Y177 VanDerWaalsContact OD1-C 3.3Å; N175-Y177 PolarHBondContact OD1-O 2.74Å; N175-P178 WeakPolarHBondContact OD1-CA 3.27Å; N175-R180 PolarHBondContact ND2-O 3.31Å; N175-T182 HydrophobicContact CB-CG2 4.32Å
176	A	83.5	Confident	85.4	Confident	91 Å²	91	93.2 Å²	93.2	75%	0.752	50%	0.498	S	S	*	.	S	Bend	trans	-61.8	-17.4	174.3	0	0	0	0	0	113.9
177	Y	86.1	Confident	85.8	Confident	173 Å²	173	98.2 Å²	98.2	68%	0.678	52%	0.521	S	S	*	.	S	Bend	trans	-130.3	82.7	-177.6	-57.4	-76	0	0	0	110.5	N175 G179 R180	N175-Y177 VanDerWaalsContact CG-O 3.3Å; N175-Y177 PolarHBondContact ND2-O 3.31Å; N175-Y177 PolarHBondContact O-N 2.76Å; N175-Y177 VanDerWaalsContact O-N 3.13Å; N175-Y177 VanDerWaalsContact OD1-C 3.3Å; N175-Y177 PolarHBondContact OD1-O 2.74Å; Y177-G179 PolarHBondContact O-N 3.19Å; Y177-R180 WeakPolarHBondContact O-CB 3.3Å; Y177-R180 PolarHBondContact O-N 3.37Å
178	P	82.8	Confident	86	Confident	88 Å²	88	95.9 Å²	95.9	57%	0.571	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	137.1	-177	22.5	-32.4	0	0	0	111.4	N175 R180	N175-P178 WeakPolarHBondContact OD1-CA 3.27Å; P178-R180 PolarHBondContact O-N 2.88Å
179	G	84.3	Confident	86.3	Confident	15 Å²	15	93.4 Å²	93.4	16%	0.155	51%	0.514	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	-6.2	-176.8	0	0	0	0	0	115.8	Y177 K202 R203	Y177-G179 PolarHBondContact O-N 3.19Å; G179-K202 WeakPolarHBondContact CA-O 3.34Å; G179-R203 WeakPolarHBondContact O-CA 3.41Å
180	R	87.5	Confident	87.1	Confident	146 Å²	146	87.5 Å²	87.5	55%	0.551	49%	0.489	S	S	*	.	S	Bend	trans	-91.9	143.7	173.7	-65.2	-73.9	-172.3	155.6	0.5	111.8	N175 Y177 P178 V198	N175-R180 PolarHBondContact ND2-O 3.31Å; Y177-R180 WeakPolarHBondContact O-CB 3.3Å; Y177-R180 PolarHBondContact O-N 3.37Å; P178-R180 PolarHBondContact O-N 2.88Å; R180-V198 VanDerWaalsContact O-CG2 3.3Å; R180-V198 WeakPolarHBondContact O-CG2 3.19Å
181	S	90.3	Very high	87.7	Confident	42 Å²	42	93.4 Å²	93.4	29%	0.294	51%	0.511	S	S	.	.			trans	-69.4	135.3	172.9	-59.9	0	0	0	0	111.5	I183 Y196 V198	S181-I183 PolarHBondContact O-N 2.8Å; S181-Y196 CarbonylContact C-O 3.58Å; S181-V198 PolarHBondContact OG-N 3.25Å
182	T	89.7	Confident	87.9	Confident	29 Å²	29	90.4 Å²	90.4	18%	0.178	50%	0.498	C	S	.	.	B	Isolated β-bridge	trans	-96.8	82	174.6	37.2	0	0	0	0	110.2	R163 N175 Y196	R163-T182 PolarHBondContact NH1-O 2.9Å; R163-T182 PolarHBondContact NH2-O 3.35Å; N175-T182 HydrophobicContact CB-CG2 4.32Å; T182-Y196 CarbonylContact C-O 3.47Å; T182-Y196 PolarHBondContact N-O 3.06Å; T182-Y196 PolarHBondContact O-N 3.44Å
183	I	91.7	Very high	88	Confident	91 Å²	91	88 Å²	88	47%	0.467	49%	0.488	S	S	.	.			trans	-90.2	134.8	-178.5	-56.8	172.7	0	0	0	109.9	S181 R197	S181-I183 PolarHBondContact O-N 2.8Å; I183-R197 HydrophobicContact CG1-CG 4.43Å
184	V	91.1	Very high	88.2	Confident	24 Å²	24	82 Å²	82	15%	0.145	47%	0.469	C	S	.	.			trans	-99.7	118	171.4	-174.9	0	0	0	0	107.8	R163 A189 A190 H193	R163-V184 VanDerWaalsContact NH1-CG2 3.3Å; R163-V184 VanDerWaalsContact NH2-CG2 3.3Å; V184-A189 HydrophobicContact CG1-CB 3.43Å; V184-A189 VanDerWaalsContact CG1-CB 3.43Å; V184-A190 HydrophobicContact CB-CB 4.48Å; V184-A190 HydrophobicContact CG1-CB 4.17Å; V184-H193 HydrophobicContact CG2-CB 4.28Å
185	S	92.2	Very high	88.6	Confident	104 Å²	104	81.5 Å²	81.5	73%	0.727	46%	0.462	S	S	*	.			trans	-84.2	-39.1	180	49.4	0	0	0	0	112.8
186	N	91.2	Very high	88.8	Confident	109 Å²	109	82.6 Å²	82.6	58%	0.583	46%	0.464	S	S	*	.	S	Bend	trans	-75.6	131	-169.8	-61.2	5.9	0	0	0	110.4	A188 A189 A190	N186-A188 VanDerWaalsContact C-N 3.33Å; N186-A188 PolarHBondContact O-N 3.2Å; N186-A189 HydrophobicContact CB-CB 4.13Å; N186-A189 PolarHBondContact O-N 3.03Å; N186-A190 VanDerWaalsContact O-CB 3.27Å; N186-A190 WeakPolarHBondContact O-CB 3.35Å; N186-A190 PolarHBondContact O-N 3.17Å
187	L	92.2	Very high	89.2	Confident	153 Å²	153	86.1 Å²	86.1	80%	0.801	46%	0.458	S	S	*	.	H	α-helix	trans	-55.1	-44.5	-178	-70.5	162.9	0	0	0	113	A190 K191	L187-A190 PolarHBondContact O-N 3.13Å; L187-K191 PolarHBondContact O-N 2.94Å
188	A	88.3	Confident	89.3	Confident	82 Å²	82	78.6 Å²	78.6	68%	0.678	43%	0.43	S	S	*	.	H	α-helix	trans	-64.3	-46.6	179	0	0	0	0	0	111.9	N186 A190 K191	N186-A188 VanDerWaalsContact C-N 3.33Å; N186-A188 PolarHBondContact O-N 3.2Å; A188-A190 VanDerWaalsContact C-N 3.31Å; A188-A190 PolarHBondContact O-N 3.28Å; A188-K191 PolarHBondContact O-N 3.13Å
189	A	89.2	Confident	89.6	Confident	35 Å²	35	77.2 Å²	77.2	29%	0.289	42%	0.423	S	S	.	.	H	α-helix	trans	-67.9	-32.5	177.8	0	0	0	0	0	112	V184 N186 K191 K192 H193	V184-A189 HydrophobicContact CG1-CB 3.43Å; V184-A189 VanDerWaalsContact CG1-CB 3.43Å; N186-A189 HydrophobicContact CB-CB 4.13Å; N186-A189 PolarHBondContact O-N 3.03Å; A189-K191 VanDerWaalsContact C-N 3.31Å; A189-K191 PolarHBondContact O-N 2.94Å; A189-K192 PolarHBondContact O-N 2.99Å; A189-H193 PolarHBondContact O-N 3.18Å
190	A	91.1	Very high	89.7	Confident	46 Å²	46	86.4 Å²	86.4	38%	0.38	45%	0.453	S	S	.	.	H	α-helix	trans	-69.1	-27.8	179.1	0	0	0	0	0	112.7	V184 N186 L187 A188	V184-A190 HydrophobicContact CB-CB 4.48Å; V184-A190 HydrophobicContact CG1-CB 4.17Å; N186-A190 VanDerWaalsContact O-CB 3.27Å; N186-A190 WeakPolarHBondContact O-CB 3.35Å; N186-A190 PolarHBondContact O-N 3.17Å; L187-A190 PolarHBondContact O-N 3.13Å; A188-A190 VanDerWaalsContact C-N 3.31Å; A188-A190 PolarHBondContact O-N 3.28Å
191	K	89.5	Confident	89.5	Confident	191 Å²	191	87.6 Å²	87.6	83%	0.83	47%	0.469	S	S	*	.	H	α-helix	trans	-66.8	-38.4	170.8	-71.9	-178.6	178.9	-174.7	0	112.1	L187 A188 A189	L187-K191 PolarHBondContact O-N 2.94Å; A188-K191 PolarHBondContact O-N 3.13Å; A189-K191 VanDerWaalsContact C-N 3.31Å; A189-K191 PolarHBondContact O-N 2.94Å
192	K	87.6	Confident	88.9	Confident	100 Å²	100	92.2 Å²	92.2	44%	0.435	48%	0.484	S	S	.	.	H	α-helix	trans	-82.2	-38.5	-178.8	-172.5	173.1	-179.4	151.1	0	112.7	E160 A189	E160-K192 IonicContact OE1-NZ 3.62Å; E160-K192 PolarHBondContact OE1-NZ 2.72Å; A189-K192 PolarHBondContact O-N 2.99Å
193	H	87	Confident	88.5	Confident	38 Å²	38	97.6 Å²	97.6	18%	0.176	50%	0.501	C	S	.	.	S	Bend	trans	-128.7	121.1	-172.8	-56.3	-65.1	0	0	0	111.4	P161 V184 A189	P161-H193 PolarHBondContact O-CE1 3.06Å; V184-H193 HydrophobicContact CG2-CB 4.28Å; A189-H193 PolarHBondContact O-N 3.18Å
194	P	87.7	Confident	87.9	Confident	73 Å²	73	97.2 Å²	97.2	47%	0.474	50%	0.503	S	S	.	.			trans	-67.4	144.8	177.5	27.4	-33.5	0	0	0	111.4	R163	R163-P194 PolarHBondContact NH1-O 3.43Å
195	S	91.5	Very high	87.1	Confident	58 Å²	58	105.5 Å²	105.5	41%	0.406	53%	0.531	S	S	.	.			trans	-72.6	131.3	170.2	67.1	0	0	0	0	110
196	Y	90.3	Very high	86.1	Confident	46 Å²	46	103.8 Å²	103.8	18%	0.18	52%	0.516	C	S	.	.	B	Isolated β-bridge	trans	-107.2	127.8	173	177.7	-99.5	0	0	0	110.6	P166 S181 T182 V198	P166-Y196 HydrophobicContact CG-CD1 3.62Å; P166-Y196 HydrophobicContact CG-CD2 3.6Å; P166-Y196 HydrophobicContact CG-CE1 3.3Å; P166-Y196 HydrophobicContact CG-CE2 3.29Å; P166-Y196 HydrophobicContact CG-CG 3.75Å; S181-Y196 CarbonylContact C-O 3.58Å; T182-Y196 CarbonylContact C-O 3.47Å; T182-Y196 PolarHBondContact N-O 3.06Å; T182-Y196 PolarHBondContact O-N 3.44Å; Y196-V198 HydrophobicContact CD1-CG2 4.12Å; Y196-V198 HydrophobicContact CE1-CB 4.44Å; Y196-V198 HydrophobicContact CE1-CG2 3.58Å
197	R	90.7	Very high	85.4	Confident	165 Å²	165	102.5 Å²	102.5	62%	0.623	51%	0.507	S	S	*	.			trans	-108.8	122.6	176.5	-72.1	-169.9	171.8	87.7	-1.2	109.9	I183	I183-R197 HydrophobicContact CG1-CG 4.43Å
198	V	88.8	Confident	84.6	Confident	16 Å²	16	104.9 Å²	104.9	10%	0.097	51%	0.506	C	S	.	.			trans	-75.2	141	175	179.7	0	0	0	0	109.3	R180 S181 Y196 K202	R180-V198 VanDerWaalsContact O-CG2 3.3Å; R180-V198 WeakPolarHBondContact O-CG2 3.19Å; S181-V198 PolarHBondContact OG-N 3.25Å; Y196-V198 HydrophobicContact CD1-CG2 4.12Å; Y196-V198 HydrophobicContact CE1-CB 4.44Å; Y196-V198 HydrophobicContact CE1-CG2 3.58Å; V198-K202 HydrophobicContact CG1-CB 3.41Å; V198-K202 VanDerWaalsContact CG1-CB 3.41Å
199	S	89.3	Confident	84.2	Confident	58 Å²	58	109.6 Å²	109.6	41%	0.406	51%	0.514	S	S	.	.			trans	-61.1	149.9	173.9	69.6	0	0	0	0	110.9	L201 K202 R203	S199-L201 PolarHBondContact O-N 3.37Å; S199-L201 VanDerWaalsContact O-N 3.17Å; S199-K202 PolarHBondContact O-N 3.19Å; S199-K202 WeakPolarHBondContact OG-CG 3.49Å; S199-R203 PolarHBondContact O-N 3.15Å
200	R	86	Confident	83.3	Confident	208 Å²	208	113.8 Å²	113.8	79%	0.785	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-55.9	-36.2	-179.9	-66.3	-165.4	-177.7	-166.4	1.8	112.6	K202 R203	R200-K202 VanDerWaalsContact C-N 3.3Å; R200-K202 PolarHBondContact O-N 3.07Å; R200-R203 PolarHBondContact O-N 3.42Å
201	L	83.3	Confident	81.9	Confident	172 Å²	172	120.4 Å²	120.4	90%	0.901	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-66.4	-29.2	-179.7	-58	176.6	0	0	0	113.5	S199	S199-L201 PolarHBondContact O-N 3.37Å; S199-L201 VanDerWaalsContact O-N 3.17Å
202	K	78.8	Confident	81.5	Confident	139 Å²	139	116.9 Å²	116.9	60%	0.604	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-89.8	-1.4	179.1	-74.2	-177.2	178.8	-175.9	0	112.9	G179 V198 S199 R200 V204	G179-K202 WeakPolarHBondContact CA-O 3.34Å; V198-K202 HydrophobicContact CG1-CB 3.41Å; V198-K202 VanDerWaalsContact CG1-CB 3.41Å; S199-K202 PolarHBondContact O-N 3.19Å; S199-K202 WeakPolarHBondContact OG-CG 3.49Å; R200-K202 VanDerWaalsContact C-N 3.3Å; R200-K202 PolarHBondContact O-N 3.07Å; K202-V204 PolarHBondContact O-N 3.17Å
203	R	81.6	Confident	81.2	Confident	142 Å²	142	117.7 Å²	117.7	54%	0.536	55%	0.549	S	S	.	.			trans	-74.8	117.2	178.8	-65	-173.3	-153.3	169.7	1.6	110	G179 S199 R200	G179-R203 WeakPolarHBondContact O-CA 3.41Å; S199-R203 PolarHBondContact O-N 3.15Å; R200-R203 PolarHBondContact O-N 3.42Å
204	V	78.2	Confident	80.9	Confident	82 Å²	82	122.2 Å²	122.2	50%	0.497	57%	0.57	S	S	.	*			trans	-79	126.5	167.1	-178.7	0	0	0	0	107.7	K202 V206	K202-V204 PolarHBondContact O-N 3.17Å; V204-V206 HydrophobicContact CG1-CG2 4.47Å
205	R	74.6	Confident	80.5	Confident	198 Å²	198	125.1 Å²	125.1	75%	0.747	58%	0.576	S	S	*	*			trans	-83.4	113.9	167.7	-172.6	172	173.7	147.1	-0	106.3	E207	R205-E207 WeakPolarHBondContact CD-OE1 3.32Å; R205-E207 WeakPolarHBondContact CG-OE1 3.11Å; R205-E207 IonicContact CZ-OE1 3.88Å; R205-E207 IonicContact NE-OE1 3.93Å; R205-E207 PolarHBondContact NE-OE1 3.46Å; R205-E207 IonicContact NE-OE2 2.72Å; R205-E207 IonicContact NH2-OE1 2.69Å
206	V	70.6	Confident	79.8	Confident	68 Å²	68	129.3 Å²	129.3	41%	0.412	59%	0.586	S	S	.	*			trans	-90.5	119	171.6	-177.9	0	0	0	0	105.5	V204 D210 M211	V204-V206 HydrophobicContact CG1-CG2 4.47Å; V206-D210 HydrophobicContact CG1-CB 4.12Å; V206-M211 HydrophobicContact CG1-CG 4.32Å
207	E	76.4	Confident	79.1	Confident	83 Å²	83	134.8 Å²	134.8	39%	0.388	61%	0.613	S	S	.	*			trans	-81.3	159.2	175.1	-64.1	-60	155.4	0	0	109.9	R205 E209 D210	R205-E207 WeakPolarHBondContact CD-OE1 3.32Å; R205-E207 WeakPolarHBondContact CG-OE1 3.11Å; R205-E207 IonicContact CZ-OE1 3.88Å; R205-E207 IonicContact NE-OE1 3.93Å; R205-E207 PolarHBondContact NE-OE1 3.46Å; R205-E207 IonicContact NE-OE2 2.72Å; R205-E207 IonicContact NH2-OE1 2.69Å; E207-E209 PolarHBondContact O-N 3.31Å; E207-D210 PolarHBondContact O-N 3.26Å; E207-D210 VanDerWaalsContact O-N 3.15Å
208	Y	76.6	Confident	78.3	Confident	202 Å²	202	132.6 Å²	132.6	79%	0.792	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-61.3	-24.3	-179.9	-78.9	-82.2	0	0	0	113.3	D210 M211	Y208-D210 PolarHBondContact O-N 2.69Å; Y208-M211 HydrophobicContact CD1-CE 3.51Å; Y208-M211 HydrophobicContact CE1-CE 3.98Å; Y208-M211 HydrophobicContact CG-CE 4.25Å
209	E	78.3	Confident	77.4	Confident	181 Å²	181	141.6 Å²	141.6	85%	0.846	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-68.8	-18.4	178.2	-58.3	-75.4	158	0	0	113.2	E207	E207-E209 PolarHBondContact O-N 3.31Å
210	D	71.7	Confident	76.5	Confident	123 Å²	123	148.6 Å²	148.6	66%	0.658	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-97.1	1.2	-174.6	-63	-34.9	0	0	0	114.2	V206 E207 Y208	V206-D210 HydrophobicContact CG1-CB 4.12Å; E207-D210 PolarHBondContact O-N 3.26Å; E207-D210 VanDerWaalsContact O-N 3.15Å; Y208-D210 PolarHBondContact O-N 2.69Å
211	M	61.3	Low	75.6	Confident	185 Å²	185	143.2 Å²	143.2	91%	0.911	66%	0.663	S	S	*	*			trans	-100.7	0	-179.5	-72	-170.4	-72.7	0	0	112.3	V206 Y208	V206-M211 HydrophobicContact CG1-CG 4.32Å; Y208-M211 HydrophobicContact CD1-CE 3.51Å; Y208-M211 HydrophobicContact CE1-CE 3.98Å; Y208-M211 HydrophobicContact CG-CE 4.25Å

Retrieved 211 of 211 residues in 423.2 ms (Link to these results)

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