A0A087Y0M0_POEFO Loading...

Iron-sulfur cluster assembly 1 homolog, mitochondrial

AlphaFold DB (A0A3B3TV15), UniProt , Accession A0A087Y0M0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 136 aa.

						>A0A087Y0M0_POEFO|A0A087Y0M0
MNSNSINMSASLVRATVRAVNKRKILPTRAALTLTPSAVSKIRLLLQDKPEYIGLKVGVRTRGCNGLTYTLEYTTEKEKSDEEVLQDGVRVFIEKKAQLTLLGTEMDFVESKLSSEFVFNNPNIKGTCGCGESFNI
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	43.1	Very low	53.9	Low	251 Å²	251	143 Å²	143	100%	1.236	83%	0.833	S	S	*	*				0	120	0	-79.2	154	153.7	0	0	107.7
2	N	42.8	Very low	55.1	Low	148 Å²	148	144.6 Å²	144.6	79%	0.791	83%	0.834	S	S	*	*			trans	-50.8	153.3	177.2	-86.9	-11.4	0	0	0	114.1
3	S	48.8	Very low	56.2	Low	115 Å²	115	144.2 Å²	144.2	80%	0.804	84%	0.835	S	S	*	*				-175.2	96	121.2	-71.2	0	0	0	0	107.9
4	N	47.8	Very low	57.5	Low	154 Å²	154	150.6 Å²	150.6	82%	0.824	84%	0.838	S	S	*	*				89.4	111.6	96.5	-97.8	8.3	0	0	0	114.6
5	S	57	Low	59	Low	105 Å²	105	147.2 Å²	147.2	73%	0.734	84%	0.837	S	S	*	*			trans	-58.2	150.8	170	-45.2	0	0	0	0	113.2
6	I	57	Low	60.2	Low	161 Å²	161	145.3 Å²	145.3	83%	0.826	83%	0.83	S	S	*	*			trans	-139.4	91.1	143.5	-42.3	174.7	0	0	0	107.7	M8	I6-M8 PolarHBondContact O-N 2.99Å
7	N	56.2	Low	61.3	Low	153 Å²	153	145.5 Å²	145.5	82%	0.818	83%	0.833	S	S	*	*			trans	-75.5	112.7	166.7	-90.2	-20.7	0	0	0	108.3	S9	N7-S9 VanDerWaalsContact C-N 3.27Å; N7-S9 PolarHBondContact O-N 3.36Å
8	M	56.8	Low	62.3	Low	187 Å²	187	149.4 Å²	149.4	92%	0.921	83%	0.833	S	S	*	*			trans	-71.9	81.2	165.8	-81.3	-75.5	-170.8	0	0	109.5	I6 A10	I6-M8 PolarHBondContact O-N 2.99Å; M8-A10 PolarHBondContact O-N 2.79Å
9	S	57.8	Low	62.9	Low	102 Å²	102	147.2 Å²	147.2	71%	0.713	84%	0.835	S	S	*	*			trans	-91.3	87.4	166.9	177.4	0	0	0	0	108.7	N7 S11	N7-S9 VanDerWaalsContact C-N 3.27Å; N7-S9 PolarHBondContact O-N 3.36Å; S9-S11 VanDerWaalsContact C-N 3.33Å; S9-S11 PolarHBondContact O-N 3.33Å
10	A	62.4	Low	63.3	Low	89 Å²	89	145.8 Å²	145.8	74%	0.736	83%	0.829	S	S	*	*			trans	-64.2	100	163.8	0	0	0	0	0	107.8	M8 L12	M8-A10 PolarHBondContact O-N 2.79Å; A10-L12 PolarHBondContact O-N 2.81Å
11	S	62.8	Low	63.6	Low	108 Å²	108	146.3 Å²	146.3	76%	0.755	83%	0.83	S	S	*	*			trans	-67	96.2	175.7	-161.5	0	0	0	0	108.4	S9 V13	S9-S11 VanDerWaalsContact C-N 3.33Å; S9-S11 PolarHBondContact O-N 3.33Å; S11-V13 PolarHBondContact O-N 3.45Å
12	L	68.4	Low	64.4	Low	162 Å²	162	144.2 Å²	144.2	85%	0.848	81%	0.814	S	S	*	*			trans	-73.7	110.1	173	-74.5	168.1	0	0	0	108.4	A10 R14	A10-L12 PolarHBondContact O-N 2.81Å; L12-R14 PolarHBondContact O-N 2.72Å
13	V	68.9	Low	65.3	Low	139 Å²	139	147.2 Å²	147.2	84%	0.842	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-66.3	121.9	171.7	-178.5	0	0	0	0	108.5	S11 A15	S11-V13 PolarHBondContact O-N 3.45Å; V13-A15 PolarHBondContact O-N 2.76Å
14	R	75.1	Confident	65.5	Low	235 Å²	235	151.1 Å²	151.1	89%	0.887	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-78.2	117	-175.5	-145	175.7	-174.3	-173.9	1.9	109.8	L12	L12-R14 PolarHBondContact O-N 2.72Å
15	A	79.4	Confident	66.1	Low	99 Å²	99	150.8 Å²	150.8	82%	0.818	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-92.8	134.4	171.8	0	0	0	0	0	110.4	V13	V13-A15 PolarHBondContact O-N 2.76Å
16	T	78.4	Confident	66.1	Low	117 Å²	117	152.6 Å²	152.6	72%	0.718	81%	0.814	S	S	*	*			trans	-119.1	131	174	60.9	0	0	0	0	110
17	V	79.9	Confident	66	Low	148 Å²	148	150.4 Å²	150.4	90%	0.897	81%	0.81	S	S	*	*			trans	-94.1	140	173.3	-177.2	0	0	0	0	109.3
18	R	77.8	Confident	66	Low	217 Å²	217	148.7 Å²	148.7	82%	0.819	81%	0.806	S	S	*	*			trans	-118.8	138.2	170.5	-66.1	-175.8	-178.4	-162.4	0.4	109.5	V20	R18-V20 PolarHBondContact O-N 2.68Å
19	A	74.7	Confident	66.1	Low	107 Å²	107	150.3 Å²	150.3	88%	0.884	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-69	126.1	170.7	0	0	0	0	0	109.4
20	V	70.1	Confident	66.5	Low	118 Å²	118	147.7 Å²	147.7	72%	0.715	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-89.6	125.5	173.2	-154.5	0	0	0	0	107.5	R18 K22	R18-V20 PolarHBondContact O-N 2.68Å; V20-K22 PolarHBondContact O-N 2.92Å
21	N	70.6	Confident	67.3	Low	157 Å²	157	143.5 Å²	143.5	84%	0.84	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-58	136.6	177.4	-126.9	-4.6	0	0	0	109.3	R23	N21-R23 PolarHBondContact O-N 3.46Å
22	K	60.5	Low	68.8	Low	208 Å²	208	138.4 Å²	138.4	90%	0.904	72%	0.715	S	S	*	*			trans	-43.4	92.1	-172.1	-71.9	-179.4	179.6	179.1	0	111.6	V20 K24	V20-K22 PolarHBondContact O-N 2.92Å; K22-K24 PolarHBondContact O-N 2.99Å
23	R	59.9	Low	70.1	Confident	211 Å²	211	133.4 Å²	133.4	80%	0.796	69%	0.692	S	S	*	*			trans	-58.2	131.7	160.1	-79.5	-177.8	173.7	174.4	-2.4	104.7	N21 I25	N21-R23 PolarHBondContact O-N 3.46Å; R23-I25 VanDerWaalsContact C-N 3.29Å; R23-I25 PolarHBondContact O-N 3.08Å
24	K	53	Low	71.5	Confident	196 Å²	196	127.2 Å²	127.2	85%	0.852	65%	0.654	S	S	*	*			trans	-50.5	108.7	159.7	-81.7	-175.1	177.9	-178.2	0	104.3	K22 L26	K22-K24 PolarHBondContact O-N 2.99Å; K24-L26 PolarHBondContact O-N 3.06Å
25	I	60.8	Low	72.6	Confident	147 Å²	147	116.7 Å²	116.7	75%	0.754	62%	0.616	S	S	*	*			trans	-62.7	98.5	172.9	-59.4	-178.4	0	0	0	102.2	R23	R23-I25 VanDerWaalsContact C-N 3.29Å; R23-I25 PolarHBondContact O-N 3.08Å
26	L	58	Low	73.5	Confident	143 Å²	143	116.8 Å²	116.8	75%	0.749	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-52.8	132.9	160.3	-91.6	85.9	0	0	0	104	K24 T28	K24-L26 PolarHBondContact O-N 3.06Å; L26-T28 PolarHBondContact O-N 2.88Å
27	P	54.9	Low	74.5	Confident	116 Å²	116	113.5 Å²	113.5	75%	0.753	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-48	117.8	176.7	20	-30.3	0	0	0	106.1	R29	P27-R29 PolarHBondContact O-N 2.86Å
28	T	56.7	Low	75.4	Confident	117 Å²	117	106.5 Å²	106.5	72%	0.718	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-48.5	121.1	172.9	-31.3	0	0	0	0	103.8	L26 A30	L26-T28 PolarHBondContact O-N 2.88Å; T28-A30 PolarHBondContact O-N 2.77Å; T28-A30 VanDerWaalsContact O-N 3.08Å
29	R	58.8	Low	76.3	Confident	221 Å²	221	96.2 Å²	96.2	83%	0.834	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-47	128.9	176.2	-73.9	-178.8	176.6	176.1	-2.4	105.9	P27 A31	P27-R29 PolarHBondContact O-N 2.86Å; R29-A31 PolarHBondContact O-N 2.79Å
30	A	64.6	Low	77.5	Confident	47 Å²	47	94.3 Å²	94.3	39%	0.388	49%	0.489	S	S	.	.			trans	-44.5	135.4	-178.4	0	0	0	0	0	108.2	T28 L32 T33	T28-A30 PolarHBondContact O-N 2.77Å; T28-A30 VanDerWaalsContact O-N 3.08Å; A30-L32 WeakPolarHBondContact CB-O 3.42Å; A30-L32 PolarHBondContact O-N 3.48Å; A30-T33 HydrophobicContact CB-CG2 4.46Å
31	A	79.7	Confident	78.8	Confident	1 Å²	1	91 Å²	91	1%	0.008	47%	0.465	C	S	.	.	S	Bend	trans	-51.6	-39.2	-176.7	0	0	0	0	0	110	R29 E82 I93 L101 L102 G103 T104	R29-A31 PolarHBondContact O-N 2.79Å; A31-E82 WeakPolarHBondContact CB-OE1 3.16Å; A31-E82 WeakPolarHBondContact CB-OE2 3.44Å; A31-I93 HydrophobicContact CB-CD1 3.98Å; A31-L101 CarbonylContact O-C 3.29Å; A31-L101 VanDerWaalsContact O-C 3.29Å; A31-L102 HydrophobicContact CB-CD2 4.09Å; A31-G103 PolarHBondContact O-N 2.85Å; A31-T104 PolarHBondContact O-N 2.88Å
32	L	94.3	Very high	80.1	Confident	0 Å²	0	83.6 Å²	83.6	0%	0	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	138.1	175	-175.7	63.4	0	0	0	110.5	A30 L34 V57 V84 V91 I93 L101 T104 M106 F119	A30-L32 WeakPolarHBondContact CB-O 3.42Å; A30-L32 PolarHBondContact O-N 3.48Å; L32-L34 HydrophobicContact CD2-CD2 4.15Å; L32-L34 HydrophobicContact CG-CD2 4.15Å; L32-V57 HydrophobicContact CD2-CG2 4.19Å; L32-V84 HydrophobicContact CB-CG2 4.31Å; L32-V84 WeakPolarHBondContact O-CG1 3.49Å; L32-V91 HydrophobicContact CD2-CG1 4.1Å; L32-I93 HydrophobicContact CB-CD1 3.87Å; L32-L101 HydrophobicContact CD1-CD2 4.2Å; L32-T104 WeakPolarHBondContact CA-O 3.33Å; L32-T104 HydrophobicContact CD1-CG2 3.87Å; L32-T104 WeakPolarHBondContact CD1-O 3.45Å; L32-M106 HydrophobicContact CD1-CB 3.86Å; L32-M106 HydrophobicContact CD2-CB 4.31Å; L32-M106 HydrophobicContact CD2-CE 4.41Å; L32-M106 HydrophobicContact CG-CB 4.3Å; L32-F119 HydrophobicContact CD1-CD1 4.38Å
33	T	96.7	Very high	81.9	Confident	58 Å²	58	79.1 Å²	79.1	36%	0.356	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	153	166	54.8	0	0	0	0	110.4	A30 T104 E105 M106	A30-T33 HydrophobicContact CB-CG2 4.46Å; T33-T104 PolarHBondContact N-O 3.42Å; T33-E105 CarbonylContact O-C 3.55Å; T33-E105 WeakPolarHBondContact O-CA 3.46Å; T33-M106 PolarHBondContact O-N 2.6Å
34	L	97.9	Very high	83.6	Confident	9 Å²	9	73.9 Å²	73.9	5%	0.047	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	137.1	-179.2	-48	-175.4	0	0	0	110.4	L32 A38 V39 I42 Q86 V89 V91 M106	L32-L34 HydrophobicContact CD2-CD2 4.15Å; L32-L34 HydrophobicContact CG-CD2 4.15Å; L34-A38 HydrophobicContact CB-CB 4.4Å; L34-V39 HydrophobicContact CB-CG2 3.65Å; L34-V39 HydrophobicContact CD1-CG2 4.01Å; L34-V39 HydrophobicContact CG-CG2 4.48Å; L34-I42 HydrophobicContact CD1-CD1 4.11Å; L34-Q86 HydrophobicContact CD1-CB 4.2Å; L34-Q86 HydrophobicContact CG-CB 4.42Å; L34-Q86 PolarHBondContact O-NE2 2.91Å; L34-V89 HydrophobicContact CD1-CG2 3.66Å; L34-V91 HydrophobicContact CD1-CG2 3.98Å; L34-V91 HydrophobicContact CD2-CG2 4.34Å; L34-M106 HydrophobicContact CD2-CB 3.94Å; L34-M106 HydrophobicContact CD2-CE 3.35Å
35	T	98.4	Very high	85.7	Confident	13 Å²	13	66.6 Å²	66.6	8%	0.08	36%	0.36	C	S	.	.			trans	-72.3	161.5	167	67.7	0	0	0	0	110.7	S37 A38 V39 E105 M106 D107	T35-S37 PolarHBondContact O-N 2.99Å; T35-S37 PolarHBondContact OG1-OG 3.41Å; T35-A38 PolarHBondContact O-N 3.14Å; T35-A38 PolarHBondContact OG1-N 3.18Å; T35-A38 VanDerWaalsContact OG1-N 3.14Å; T35-V39 WeakPolarHBondContact O-CG2 3.23Å; T35-V39 PolarHBondContact O-N 3Å; T35-E105 VanDerWaalsContact CG2-CD 3.47Å; T35-E105 HydrophobicContact CG2-CG 3.67Å; T35-M106 PolarHBondContact N-O 3.27Å; T35-D107 WeakPolarHBondContact CB-OD1 3.27Å; T35-D107 HydrophobicContact CG2-CB 3.71Å; T35-D107 WeakPolarHBondContact OG1-CA 3.46Å; T35-D107 PolarHBondContact OG1-OD1 2.99Å
36	P	98.3	Very high	87.4	Confident	102 Å²	102	61 Å²	61	66%	0.662	33%	0.332	S	S	*	.	H	α-helix	trans	-57.2	-34.7	174	-26.4	35.9	0	0	0	113.9	S40	P36-S40 WeakPolarHBondContact O-CB 3.48Å; P36-S40 PolarHBondContact O-N 3.46Å; P36-S40 PolarHBondContact O-OG 3.11Å
37	S	98.3	Very high	89.2	Confident	48 Å²	48	60.7 Å²	60.7	34%	0.336	33%	0.326	S	S	.	.	H	α-helix	trans	-64.8	-47.1	174.9	23.4	0	0	0	0	111.4	T35 S40 K41 D107 F108	T35-S37 PolarHBondContact O-N 2.99Å; T35-S37 PolarHBondContact OG1-OG 3.41Å; S37-S40 PolarHBondContact O-N 2.88Å; S37-K41 WeakPolarHBondContact O-CB 3.34Å; S37-K41 PolarHBondContact O-N 2.79Å; S37-D107 PolarHBondContact OG-OD1 3.32Å; S37-F108 WeakPolarHBondContact CB-O 3.49Å
38	A	98.4	Very high	91.1	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60.7	-47.5	176.1	0	0	0	0	0	111.8	L34 T35 S40 K41 I42 M106 F108 F117	L34-A38 HydrophobicContact CB-CB 4.4Å; T35-A38 PolarHBondContact O-N 3.14Å; T35-A38 PolarHBondContact OG1-N 3.18Å; T35-A38 VanDerWaalsContact OG1-N 3.14Å; A38-S40 VanDerWaalsContact C-N 3.34Å; A38-S40 PolarHBondContact O-N 3.21Å; A38-K41 PolarHBondContact O-N 2.98Å; A38-I42 VanDerWaalsContact O-CG1 3.23Å; A38-I42 WeakPolarHBondContact O-CG1 3.39Å; A38-I42 PolarHBondContact O-N 2.9Å; A38-M106 VanDerWaalsContact CB-O 3.23Å; A38-M106 WeakPolarHBondContact CB-O 3.42Å; A38-F108 HydrophobicContact CB-CB 4.44Å; A38-F117 HydrophobicContact CB-CE1 4.34Å
39	V	98.4	Very high	92.9	Very high	2 Å²	2	59 Å²	59	1%	0.012	30%	0.304	C	S	.	.	H	α-helix	trans	-55.8	-49.9	176.1	169	0	0	0	0	110.8	L34 T35 K41 I42 R43 D87 V89	L34-V39 HydrophobicContact CB-CG2 3.65Å; L34-V39 HydrophobicContact CD1-CG2 4.01Å; L34-V39 HydrophobicContact CG-CG2 4.48Å; T35-V39 WeakPolarHBondContact O-CG2 3.23Å; T35-V39 PolarHBondContact O-N 3Å; V39-K41 VanDerWaalsContact C-N 3.33Å; V39-K41 PolarHBondContact O-N 3.03Å; V39-I42 PolarHBondContact O-N 3.28Å; V39-R43 WeakPolarHBondContact O-CG 3.23Å; V39-R43 PolarHBondContact O-N 2.91Å; V39-D87 HydrophobicContact CG1-CB 3.78Å; V39-D87 HydrophobicContact CG2-CB 4.42Å; V39-V89 HydrophobicContact CB-CG2 4.33Å; V39-V89 HydrophobicContact CG1-CG1 4.25Å; V39-V89 HydrophobicContact CG1-CG2 4.09Å; V39-V89 HydrophobicContact CG2-CG2 4.06Å
40	S	98.2	Very high	94.6	Very high	66 Å²	66	54.3 Å²	54.3	46%	0.462	30%	0.302	S	S	.	.	H	α-helix	trans	-62.2	-42.2	-178.5	-59.6	0	0	0	0	111.6	P36 S37 A38 R43 L44	P36-S40 WeakPolarHBondContact O-CB 3.48Å; P36-S40 PolarHBondContact O-N 3.46Å; P36-S40 PolarHBondContact O-OG 3.11Å; S37-S40 PolarHBondContact O-N 2.88Å; A38-S40 VanDerWaalsContact C-N 3.34Å; A38-S40 PolarHBondContact O-N 3.21Å; S40-R43 PolarHBondContact O-N 3.44Å; S40-L44 PolarHBondContact O-N 3.42Å; S40-L44 VanDerWaalsContact O-N 3.11Å
41	K	98.1	Very high	96.2	Very high	50 Å²	50	57.1 Å²	57.1	22%	0.217	31%	0.307	C	S	.	.	H	α-helix	trans	-65.4	-42.5	176.8	-171.3	66.9	172.7	-164.5	0	112.2	S37 A38 V39 R43 L44 L45 F108 F117	S37-K41 WeakPolarHBondContact O-CB 3.34Å; S37-K41 PolarHBondContact O-N 2.79Å; A38-K41 PolarHBondContact O-N 2.98Å; V39-K41 VanDerWaalsContact C-N 3.33Å; V39-K41 PolarHBondContact O-N 3.03Å; K41-R43 VanDerWaalsContact C-N 3.34Å; K41-R43 PolarHBondContact O-N 3.29Å; K41-L44 HydrophobicContact CD-CD2 4.46Å; K41-L44 WeakPolarHBondContact O-CB 3.48Å; K41-L44 PolarHBondContact O-N 3.41Å; K41-L45 HydrophobicContact CG-CD1 4.13Å; K41-L45 HydrophobicContact CG-CG 4.28Å; K41-L45 VanDerWaalsContact O-CG 3.31Å; K41-L45 WeakPolarHBondContact O-CG 3.35Å; K41-L45 PolarHBondContact O-N 2.99Å; K41-F108 HydrophobicContact CB-CB 4.03Å; K41-F108 HydrophobicContact CB-CD1 3.79Å; K41-F108 HydrophobicContact CB-CD2 4.11Å; K41-F108 HydrophobicContact CB-CE1 4.29Å; K41-F108 HydrophobicContact CB-CG 3.68Å; K41-F108 HydrophobicContact CD-CD1 3.94Å; K41-F108 HydrophobicContact CD-CD2 4.38Å; K41-F108 HydrophobicContact CD-CE1 3.53Å; K41-F108 HydrophobicContact CD-CE2 4.01Å; K41-F108 HydrophobicContact CD-CG 4.34Å; K41-F108 HydrophobicContact CD-CZ 3.56Å; K41-F108 HydrophobicContact CG-CD1 3.79Å; K41-F108 HydrophobicContact CG-CD2 3.65Å; K41-F108 HydrophobicContact CG-CE1 3.82Å; K41-F108 HydrophobicContact CG-CE2 3.68Å; K41-F108 HydrophobicContact CG-CG 3.69Å; K41-F108 HydrophobicContact CG-CZ 3.76Å; K41-F117 HydrophobicContact CB-CE1 4.41Å; K41-F117 HydrophobicContact CB-CZ 4.14Å; K41-F117 HydrophobicContact CG-CE2 4.38Å; K41-F117 HydrophobicContact CG-CZ 3.82Å
42	I	97.9	Very high	97.1	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-61	-44.2	177.8	-68.2	165	0	0	0	110.7	L34 A38 V39 L44 L45 L46 L55 V89 V91 M106 F117	L34-I42 HydrophobicContact CD1-CD1 4.11Å; A38-I42 VanDerWaalsContact O-CG1 3.23Å; A38-I42 WeakPolarHBondContact O-CG1 3.39Å; A38-I42 PolarHBondContact O-N 2.9Å; V39-I42 PolarHBondContact O-N 3.28Å; I42-L44 VanDerWaalsContact C-N 3.32Å; I42-L44 PolarHBondContact O-N 2.95Å; I42-L45 PolarHBondContact O-N 2.82Å; I42-L46 HydrophobicContact CG2-CD1 3.7Å; I42-L46 HydrophobicContact CG2-CG 4.44Å; I42-L46 WeakPolarHBondContact O-CG 3.31Å; I42-L46 PolarHBondContact O-N 3.08Å; I42-L46 VanDerWaalsContact O-N 3.08Å; I42-L55 HydrophobicContact CD1-CD1 4.47Å; I42-L55 HydrophobicContact CG1-CD1 3.86Å; I42-L55 HydrophobicContact CG2-CG 4.43Å; I42-V89 HydrophobicContact CB-CB 4.4Å; I42-V89 HydrophobicContact CB-CG1 4.2Å; I42-V89 HydrophobicContact CD1-CG2 4.46Å; I42-V89 HydrophobicContact CG2-CB 3.84Å; I42-V89 HydrophobicContact CG2-CG1 3.9Å; I42-V89 HydrophobicContact CG2-CG2 4.41Å; I42-V91 HydrophobicContact CD1-CG2 3.87Å; I42-M106 HydrophobicContact CD1-CE 3.7Å; I42-F117 HydrophobicContact CD1-CE1 4.46Å; I42-F117 HydrophobicContact CG1-CE1 4.05Å; I42-F117 HydrophobicContact CG1-CZ 4.02Å
43	R	97.7	Very high	97.2	Very high	115 Å²	115	64.2 Å²	64.2	43%	0.434	34%	0.338	S	S	.	.	H	α-helix	trans	-56.8	-47.4	174.8	-69.1	-168.8	-162.6	113.4	-4.9	111.4	V39 S40 K41 L45 L46 Q47 D87 V89	V39-R43 WeakPolarHBondContact O-CG 3.23Å; V39-R43 PolarHBondContact O-N 2.91Å; S40-R43 PolarHBondContact O-N 3.44Å; K41-R43 VanDerWaalsContact C-N 3.34Å; K41-R43 PolarHBondContact O-N 3.29Å; R43-L45 PolarHBondContact O-N 3.35Å; R43-L46 PolarHBondContact O-N 2.79Å; R43-Q47 PolarHBondContact O-N 3.29Å; R43-D87 PolarHBondContact NE-O 3.24Å; R43-D87 VanDerWaalsContact NH2-CB 3.31Å; R43-D87 PolarHBondContact NH2-O 3.44Å; R43-V89 HydrophobicContact CB-CG1 4.39Å; R43-V89 HydrophobicContact CG-CG1 3.27Å
44	L	97	Very high	97.2	Very high	100 Å²	100	61.4 Å²	61.4	52%	0.524	32%	0.321	S	S	.	.	H	α-helix	trans	-61.8	-42.4	178.6	-178.3	65.5	0	0	0	112	S40 K41 I42 L46 Q47	S40-L44 PolarHBondContact O-N 3.42Å; S40-L44 VanDerWaalsContact O-N 3.11Å; K41-L44 HydrophobicContact CD-CD2 4.46Å; K41-L44 WeakPolarHBondContact O-CB 3.48Å; K41-L44 PolarHBondContact O-N 3.41Å; I42-L44 VanDerWaalsContact C-N 3.32Å; I42-L44 PolarHBondContact O-N 2.95Å; L44-L46 VanDerWaalsContact C-N 3.26Å; L44-L46 PolarHBondContact O-N 3.47Å; L44-Q47 PolarHBondContact O-N 3.07Å
45	L	96.5	Very high	97.3	Very high	43 Å²	43	61.2 Å²	61.2	23%	0.225	32%	0.32	C	S	.	.	H	α-helix	trans	-64.7	-30.2	179.4	-72.2	176.1	0	0	0	113	K41 I42 R43 K49 Y73 F117	K41-L45 HydrophobicContact CG-CD1 4.13Å; K41-L45 HydrophobicContact CG-CG 4.28Å; K41-L45 VanDerWaalsContact O-CG 3.31Å; K41-L45 WeakPolarHBondContact O-CG 3.35Å; K41-L45 PolarHBondContact O-N 2.99Å; I42-L45 PolarHBondContact O-N 2.82Å; R43-L45 PolarHBondContact O-N 3.35Å; L45-K49 PolarHBondContact O-NZ 3.28Å; L45-Y73 HydrophobicContact CB-CE1 4.23Å; L45-F117 HydrophobicContact CD1-CE2 3.83Å; L45-F117 HydrophobicContact CD1-CZ 3.93Å
46	L	97.1	Very high	97.2	Very high	31 Å²	31	61.2 Å²	61.2	16%	0.162	32%	0.319	C	S	.	.	H	α-helix	trans	-95	-13.9	-178.5	-66.2	171.6	0	0	0	114	I42 R43 L44 D48 K49 Y73	I42-L46 HydrophobicContact CG2-CD1 3.7Å; I42-L46 HydrophobicContact CG2-CG 4.44Å; I42-L46 WeakPolarHBondContact O-CG 3.31Å; I42-L46 PolarHBondContact O-N 3.08Å; I42-L46 VanDerWaalsContact O-N 3.08Å; R43-L46 PolarHBondContact O-N 2.79Å; L44-L46 VanDerWaalsContact C-N 3.26Å; L44-L46 PolarHBondContact O-N 3.47Å; L46-D48 VanDerWaalsContact C-N 3.26Å; L46-D48 PolarHBondContact O-N 2.98Å; L46-D48 VanDerWaalsContact O-N 3.15Å; L46-K49 PolarHBondContact O-N 3.15Å; L46-Y73 HydrophobicContact CD2-CD1 3.8Å; L46-Y73 HydrophobicContact CD2-CE1 3.98Å
47	Q	95.8	Very high	97.2	Very high	136 Å²	136	56.3 Å²	56.3	64%	0.636	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-42.7	-172.8	-178.3	174.1	-13.5	0	0	113.4	R43 L44	R43-Q47 PolarHBondContact O-N 3.29Å; L44-Q47 PolarHBondContact O-N 3.07Å
48	D	93.6	Very high	97.2	Very high	135 Å²	135	54 Å²	54	72%	0.722	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	20.1	-177.6	-57	-43.1	0	0	0	112.9	L46	L46-D48 VanDerWaalsContact C-N 3.26Å; L46-D48 PolarHBondContact O-N 2.98Å; L46-D48 VanDerWaalsContact O-N 3.15Å
49	K	96.1	Very high	97	Very high	62 Å²	62	54.8 Å²	54.8	27%	0.27	28%	0.276	S	S	.	.			trans	-133	68.4	-178.4	-49.3	-174.4	-176.7	64.7	0	112.1	L45 L46 E51 Y52 Y73	L45-K49 PolarHBondContact O-NZ 3.28Å; L46-K49 PolarHBondContact O-N 3.15Å; K49-E51 WeakPolarHBondContact CA-OE2 3.49Å; K49-E51 PolarHBondContact O-N 3.26Å; K49-E51 VanDerWaalsContact O-N 3.12Å; K49-Y52 HydrophobicContact CB-CD2 3.59Å; K49-Y52 HydrophobicContact CB-CE2 4.17Å; K49-Y52 HydrophobicContact CD-CD2 3.81Å; K49-Y52 HydrophobicContact CD-CE2 3.85Å; K49-Y52 HydrophobicContact CG-CD2 4.34Å; K49-Y52 PolarHBondContact O-N 2.79Å; K49-Y52 VanDerWaalsContact O-N 3.11Å; K49-Y73 HydrophobicContact CD-CD1 4.37Å; K49-Y73 HydrophobicContact CD-CE1 3.94Å; K49-Y73 PolarHBondContact NZ-OH 3.4Å
50	P	94.4	Very high	96.8	Very high	123 Å²	123	60.4 Å²	60.4	80%	0.799	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-17	-173.8	28.3	-36.9	0	0	0	114.2	Y52	P50-Y52 VanDerWaalsContact C-N 3.27Å; P50-Y52 PolarHBondContact O-N 3.07Å
51	E	97.1	Very high	96.5	Very high	105 Å²	105	62.5 Å²	62.5	49%	0.491	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-24.5	175.3	67.4	-86	-154.7	0	0	113.1	K49 T75	K49-E51 WeakPolarHBondContact CA-OE2 3.49Å; K49-E51 PolarHBondContact O-N 3.26Å; K49-E51 VanDerWaalsContact O-N 3.12Å; E51-T75 VanDerWaalsContact O-CG2 3.31Å; E51-T75 WeakPolarHBondContact O-CG2 3.48Å
52	Y	98.1	Very high	96	Very high	79 Å²	79	65.1 Å²	65.1	31%	0.31	32%	0.316	S	S	.	.			trans	-96.2	131.2	-179.1	-59.8	-62.5	0	0	0	111.5	K49 P50 Y73 T74 T75	K49-Y52 HydrophobicContact CB-CD2 3.59Å; K49-Y52 HydrophobicContact CB-CE2 4.17Å; K49-Y52 HydrophobicContact CD-CD2 3.81Å; K49-Y52 HydrophobicContact CD-CE2 3.85Å; K49-Y52 HydrophobicContact CG-CD2 4.34Å; K49-Y52 PolarHBondContact O-N 2.79Å; K49-Y52 VanDerWaalsContact O-N 3.11Å; P50-Y52 VanDerWaalsContact C-N 3.27Å; P50-Y52 PolarHBondContact O-N 3.07Å; Y52-Y73 VanDerWaalsContact CD1-CB 3.48Å; Y52-Y73 HydrophobicContact CD1-CG 4.49Å; Y52-Y73 AromaticContact CD2-CD1 3.88Å; Y52-Y73 HydrophobicContact CD2-CD1 3.88Å; Y52-Y73 AromaticContact CD2-CG 3.96Å; Y52-Y73 HydrophobicContact CD2-CG 3.96Å; Y52-Y73 HydrophobicContact CE2-CD1 4.41Å; Y52-Y73 HydrophobicContact CE2-CG 4.09Å; Y52-Y73 HydrophobicContact CG-CD1 4.14Å; Y52-Y73 HydrophobicContact CG-CG 4.19Å; Y52-T74 CarbonylContact C-O 3.48Å; Y52-T74 WeakPolarHBondContact CA-O 3.42Å; Y52-T75 HydrophobicContact CD1-CG2 3.58Å; Y52-T75 HydrophobicContact CE1-CG2 3.8Å
53	I	97.1	Very high	95.3	Very high	71 Å²	71	68.4 Å²	68.4	36%	0.364	35%	0.349	S	S	.	.			trans	-90.1	-6.7	-179.7	64.5	163.5	0	0	0	112.7	T74 T75 R90 F92	I53-T74 HydrophobicContact CG1-CG2 4.23Å; I53-T74 WeakPolarHBondContact CG1-O 3.38Å; I53-T74 PolarHBondContact N-O 2.81Å; I53-T75 WeakPolarHBondContact CG2-O 3.37Å; I53-R90 WeakPolarHBondContact O-CB 2.97Å; I53-R90 WeakPolarHBondContact O-CD 3.47Å; I53-F92 HydrophobicContact CD1-CE1 4.38Å; I53-F92 HydrophobicContact CD1-CE2 3.68Å; I53-F92 HydrophobicContact CD1-CZ 3.48Å; I53-F92 VanDerWaalsContact CD1-CZ 3.48Å; I53-F92 HydrophobicContact CG1-CE2 3.69Å; I53-F92 HydrophobicContact CG1-CZ 3.97Å
54	G	97.6	Very high	94.3	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.2	-168.4	-177.9	0	0	0	0	0	113.1	T74 R90	G54-T74 PolarHBondContact O-N 3.11Å; G54-R90 VanDerWaalsContact CA-O 3.28Å; G54-R90 WeakPolarHBondContact CA-O 3.42Å
55	L	98.2	Very high	93.4	Very high	5 Å²	5	71 Å²	71	3%	0.026	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	148.8	167.9	-59.2	-173.8	0	0	0	110.3	I42 L71 E72 Y73 R90 V91 F92 F117	I42-L55 HydrophobicContact CD1-CD1 4.47Å; I42-L55 HydrophobicContact CG1-CD1 3.86Å; I42-L55 HydrophobicContact CG2-CG 4.43Å; L55-L71 HydrophobicContact CB-CD2 4.33Å; L55-L71 HydrophobicContact CD1-CD2 4.31Å; L55-E72 CarbonylContact C-O 3.59Å; L55-E72 WeakPolarHBondContact CA-O 3.41Å; L55-Y73 HydrophobicContact CD2-CD1 3.51Å; L55-Y73 HydrophobicContact CD2-CE1 3.78Å; L55-Y73 HydrophobicContact CD2-CG 4.08Å; L55-R90 PolarHBondContact N-O 2.94Å; L55-V91 CarbonylContact O-C 3.57Å; L55-V91 VanDerWaalsContact O-CA 3.28Å; L55-V91 WeakPolarHBondContact O-CA 3.25Å; L55-F92 PolarHBondContact O-N 3.12Å; L55-F117 HydrophobicContact CD1-CZ 4.47Å
56	K	98.2	Very high	92.9	Very high	12 Å²	12	69.4 Å²	69.4	5%	0.052	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	126.2	172.8	-170.2	174.1	-60.7	-156.9	0	109.8	L71 E72 T74 E78 D81 F92 E94	K56-L71 WeakPolarHBondContact O-CA 3.43Å; K56-E72 PolarHBondContact N-O 3.02Å; K56-E72 PolarHBondContact O-N 2.91Å; K56-T74 HydrophobicContact CB-CG2 4.14Å; K56-T74 WeakPolarHBondContact CE-OG1 3.47Å; K56-E78 IonicContact NZ-OE1 3.69Å; K56-E78 PolarHBondContact NZ-OE1 3.08Å; K56-D81 VanDerWaalsContact CE-OD2 3.25Å; K56-D81 WeakPolarHBondContact CE-OD2 3.48Å; K56-D81 IonicContact NZ-OD2 3.8Å; K56-D81 PolarHBondContact NZ-OD2 2.85Å; K56-F92 CarbonylContact C-O 3.6Å; K56-F92 VanDerWaalsContact CA-O 3.25Å; K56-F92 WeakPolarHBondContact CA-O 3.34Å; K56-F92 HydrophobicContact CB-CB 4.37Å; K56-F92 HydrophobicContact CG-CB 4.18Å; K56-E94 HydrophobicContact CD-CG 3.81Å; K56-E94 HydrophobicContact CG-CG 4.02Å
57	V	98.1	Very high	92.6	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.7	173.8	-173.5	0	0	0	0	109.2	L32 Y69 T70 L71 V91 F92 E94 L101 F119	L32-V57 HydrophobicContact CD2-CG2 4.19Å; V57-Y69 HydrophobicContact CG1-CD1 4.35Å; V57-T70 VanDerWaalsContact CA-O 3.25Å; V57-T70 WeakPolarHBondContact CA-O 3.48Å; V57-L71 HydrophobicContact CG2-CD2 3.6Å; V57-V91 HydrophobicContact CG2-CG1 3.52Å; V57-F92 PolarHBondContact N-O 3.32Å; V57-E94 PolarHBondContact O-N 2.98Å; V57-L101 HydrophobicContact CB-CD1 4.24Å; V57-L101 HydrophobicContact CG1-CD1 3.68Å; V57-L101 HydrophobicContact CG1-CD2 4.47Å; V57-F119 HydrophobicContact CG1-CE1 4.04Å; V57-F119 HydrophobicContact CG1-CZ 4.23Å; V57-F119 HydrophobicContact CG2-CE1 4.35Å; V57-F119 HydrophobicContact CG2-CZ 4.44Å
58	G	96.8	Very high	92.5	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	-176.3	174.6	0	0	0	0	0	112.3	Y69 T70	G58-Y69 WeakPolarHBondContact O-CA 3.31Å; G58-T70 VanDerWaalsContact CA-OG1 3.27Å; G58-T70 WeakPolarHBondContact CA-OG1 3.47Å; G58-T70 PolarHBondContact N-O 2.59Å; G58-T70 PolarHBondContact N-OG1 2.78Å; G58-T70 PolarHBondContact O-N 3.01Å
59	V	95.6	Very high	92.5	Very high	16 Å²	16	60.1 Å²	60.1	10%	0.097	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	143.6	168.3	-72.5	0	0	0	0	110.4	T68 Y69 K96 A97	V59-T68 CarbonylContact C-O 3.54Å; V59-T68 WeakPolarHBondContact CA-O 3.38Å; V59-Y69 HydrophobicContact CG1-CD1 3.64Å; V59-Y69 HydrophobicContact CG1-CE1 3.82Å; V59-K96 HydrophobicContact CG2-CB 3.99Å; V59-A97 HydrophobicContact CG1-CB 3.88Å; V59-A97 HydrophobicContact CG2-CB 4.22Å
60	R	94.2	Very high	92.5	Very high	120 Å²	120	58.6 Å²	58.6	45%	0.453	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	147.6	172.8	-64.9	-70.1	-176.4	-116.2	-2.6	109.8	L67 T68 T70 E72	R60-L67 CarbonylContact O-C 3.51Å; R60-L67 WeakPolarHBondContact O-CA 3.36Å; R60-T68 PolarHBondContact N-O 2.98Å; R60-T68 PolarHBondContact O-N 3.03Å; R60-T70 HydrophobicContact CB-CG2 4.23Å; R60-T70 HydrophobicContact CG-CG2 3.46Å; R60-T70 VanDerWaalsContact CG-CG2 3.46Å; R60-E72 IonicContact NH2-OE1 3.18Å
61	T	91.8	Very high	92.7	Very high	109 Å²	109	55.5 Å²	55.5	67%	0.669	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	132.7	173.5	-52.6	0	0	0	0	109.8	G66	T61-G66 CarbonylContact C-O 3.46Å; T61-G66 WeakPolarHBondContact CA-O 3.28Å
62	R	88.2	Confident	92.7	Very high	106 Å²	106	54.7 Å²	54.7	40%	0.4	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	124.6	174.1	-169.8	178.1	-165.3	129.3	2.1	109.5	G66 T68 E132	R62-G66 PolarHBondContact N-O 2.8Å; R62-G66 CarbonylContact O-C 3.56Å; R62-G66 WeakPolarHBondContact O-CA 3.28Å; R62-G66 PolarHBondContact O-N 2.95Å; R62-G66 VanDerWaalsContact O-N 3.09Å; R62-T68 WeakPolarHBondContact CD-OG1 3.34Å; R62-E132 VanDerWaalsContact CZ-CD 3.45Å; R62-E132 IonicContact CZ-OE1 2.85Å; R62-E132 IonicContact CZ-OE2 3.86Å; R62-E132 IonicContact NE-OE2 3.28Å; R62-E132 PolarHBondContact NE-OE2 2.8Å; R62-E132 IonicContact NH2-OE1 2.88Å; R62-E132 PolarHBondContact NH2-OE1 3.09Å; R62-E132 IonicContact NH2-OE2 2.69Å; R62-E132 PolarHBondContact NH2-OE2 3.43Å
63	G	82.1	Confident	92.7	Very high	68 Å²	68	54.8 Å²	54.8	70%	0.701	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	-161.5	-174.2	0	0	0	0	0	112.9	N65	G63-N65 PolarHBondContact O-N 2.82Å
64	C	77.7	Confident	92.7	Very high	123 Å²	123	52.1 Å²	52.1	83%	0.831	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-37.6	-174.2	-61.3	0	0	0	0	113.4
65	N	76.7	Confident	92.7	Very high	147 Å²	147	55.9 Å²	55.9	79%	0.786	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.6	7.3	-172	-62.4	-55.5	0	0	0	114.1	G63	G63-N65 PolarHBondContact O-N 2.82Å
66	G	86.5	Confident	92.6	Very high	10 Å²	10	61.7 Å²	61.7	10%	0.103	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	150.5	-176.9	0	0	0	0	0	112.3	T61 R62	T61-G66 CarbonylContact C-O 3.46Å; T61-G66 WeakPolarHBondContact CA-O 3.28Å; R62-G66 PolarHBondContact N-O 2.8Å; R62-G66 CarbonylContact O-C 3.56Å; R62-G66 WeakPolarHBondContact O-CA 3.28Å; R62-G66 PolarHBondContact O-N 2.95Å; R62-G66 VanDerWaalsContact O-N 3.09Å
67	L	90.6	Very high	92.5	Very high	46 Å²	46	65.8 Å²	65.8	24%	0.241	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	150.2	169.5	-63.3	177.1	0	0	0	110.3	R60 T100 S133 F134	R60-L67 CarbonylContact O-C 3.51Å; R60-L67 WeakPolarHBondContact O-CA 3.36Å; L67-T100 HydrophobicContact CD1-CG2 4.17Å; L67-S133 CarbonylContact O-C 3.48Å; L67-S133 WeakPolarHBondContact O-CA 3.32Å; L67-S133 WeakPolarHBondContact O-CB 3.31Å; L67-F134 HydrophobicContact CB-CD2 4.41Å; L67-F134 HydrophobicContact CB-CE1 4.14Å; L67-F134 HydrophobicContact CB-CE2 3.93Å; L67-F134 HydrophobicContact CB-CZ 3.77Å; L67-F134 HydrophobicContact CD1-CE2 4.38Å; L67-F134 PolarHBondContact N-O 3.28Å; L67-F134 WeakPolarHBondContact O-CD1 3.16Å; L67-F134 WeakPolarHBondContact O-CE1 3.4Å; L67-F134 PolarHBondContact O-N 3.37Å
68	T	92.9	Very high	92.3	Very high	33 Å²	33	70.7 Å²	70.7	20%	0.202	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	138	171.9	-59.6	0	0	0	0	108.3	V59 R60 R62 E132	V59-T68 CarbonylContact C-O 3.54Å; V59-T68 WeakPolarHBondContact CA-O 3.38Å; R60-T68 PolarHBondContact N-O 2.98Å; R60-T68 PolarHBondContact O-N 3.03Å; R62-T68 WeakPolarHBondContact CD-OG1 3.34Å; T68-E132 PolarHBondContact OG1-O 2.88Å
69	Y	95	Very high	92.2	Very high	28 Å²	28	81 Å²	81	11%	0.11	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	143.6	171.9	-64.4	-61.1	0	0	0	110.9	V57 G58 V59 T100 L101 F119 N121 F134	V57-Y69 HydrophobicContact CG1-CD1 4.35Å; G58-Y69 WeakPolarHBondContact O-CA 3.31Å; V59-Y69 HydrophobicContact CG1-CD1 3.64Å; V59-Y69 HydrophobicContact CG1-CE1 3.82Å; Y69-T100 PolarHBondContact OH-O 2.8Å; Y69-L101 HydrophobicContact CD1-CD2 4.01Å; Y69-L101 HydrophobicContact CD1-CG 4.42Å; Y69-L101 HydrophobicContact CE1-CD1 4.5Å; Y69-L101 HydrophobicContact CE1-CD2 3.46Å; Y69-L101 VanDerWaalsContact CE1-CD2 3.46Å; Y69-L101 HydrophobicContact CE1-CG 3.74Å; Y69-L101 HydrophobicContact CE2-CD2 4.33Å; Y69-F119 HydrophobicContact CD2-CB 3.71Å; Y69-F119 HydrophobicContact CD2-CD1 4.04Å; Y69-F119 AromaticContact CD2-CD2 3.9Å; Y69-F119 HydrophobicContact CD2-CD2 3.9Å; Y69-F119 AromaticContact CD2-CG 3.61Å; Y69-F119 HydrophobicContact CD2-CG 3.61Å; Y69-F119 HydrophobicContact CE2-CB 3.76Å; Y69-F119 HydrophobicContact CE2-CD1 4.36Å; Y69-F119 HydrophobicContact CE2-CG 4.07Å; Y69-F119 HydrophobicContact CG-CD1 4.35Å; Y69-F119 HydrophobicContact CG-CD2 4.35Å; Y69-F119 HydrophobicContact CG-CG 4.24Å; Y69-N121 PolarHBondContact OH-ND2 3.44Å; Y69-F134 HydrophobicContact CD1-CE1 4.31Å; Y69-F134 HydrophobicContact CD1-CZ 4.13Å; Y69-F134 HydrophobicContact CD2-CD1 4.48Å; Y69-F134 AromaticContact CD2-CE1 3.58Å; Y69-F134 HydrophobicContact CD2-CE1 3.58Å; Y69-F134 HydrophobicContact CD2-CZ 4.02Å; Y69-F134 HydrophobicContact CE1-CE1 4.16Å; Y69-F134 AromaticContact CE1-CZ 3.61Å; Y69-F134 HydrophobicContact CE1-CZ 3.61Å; Y69-F134 HydrophobicContact CE2-CD1 4.24Å; Y69-F134 AromaticContact CE2-CE1 3.4Å; Y69-F134 HydrophobicContact CE2-CE1 3.4Å; Y69-F134 VanDerWaalsContact CE2-CE1 3.4Å; Y69-F134 HydrophobicContact CE2-CE2 4.37Å; Y69-F134 AromaticContact CE2-CZ 3.49Å; Y69-F134 HydrophobicContact CE2-CZ 3.49Å; Y69-F134 VanDerWaalsContact CE2-CZ 3.49Å; Y69-F134 HydrophobicContact CG-CE1 4.04Å; Y69-F134 HydrophobicContact CG-CZ 4.31Å; Y69-F134 AromaticContact CZ-CE1 3.72Å; Y69-F134 AromaticContact CZ-CZ 3.26Å
70	T	96.4	Very high	92.2	Very high	29 Å²	29	83 Å²	83	18%	0.178	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	150.9	172.8	56	0	0	0	0	110.5	V57 G58 R60	V57-T70 VanDerWaalsContact CA-O 3.25Å; V57-T70 WeakPolarHBondContact CA-O 3.48Å; G58-T70 VanDerWaalsContact CA-OG1 3.27Å; G58-T70 WeakPolarHBondContact CA-OG1 3.47Å; G58-T70 PolarHBondContact N-O 2.59Å; G58-T70 PolarHBondContact N-OG1 2.78Å; G58-T70 PolarHBondContact O-N 3.01Å; R60-T70 HydrophobicContact CB-CG2 4.23Å; R60-T70 HydrophobicContact CG-CG2 3.46Å; R60-T70 VanDerWaalsContact CG-CG2 3.46Å
71	L	97.3	Very high	92.2	Very high	59 Å²	59	77.9 Å²	77.9	31%	0.309	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	120.4	173.5	-80.1	169.6	0	0	0	108.8	L55 K56 V57 M106 F117 F119	L55-L71 HydrophobicContact CB-CD2 4.33Å; L55-L71 HydrophobicContact CD1-CD2 4.31Å; K56-L71 WeakPolarHBondContact O-CA 3.43Å; V57-L71 HydrophobicContact CG2-CD2 3.6Å; L71-M106 HydrophobicContact CD1-SD 4.26Å; L71-M106 HydrophobicContact CD2-SD 4.18Å; L71-F117 HydrophobicContact CD1-CB 3.57Å; L71-F117 HydrophobicContact CD1-CD1 4.34Å; L71-F117 HydrophobicContact CD1-CD2 3.49Å; L71-F117 VanDerWaalsContact CD1-CD2 3.49Å; L71-F117 HydrophobicContact CD1-CE2 4.24Å; L71-F117 HydrophobicContact CD1-CG 3.54Å; L71-F119 HydrophobicContact CD1-CE2 4.21Å; L71-F119 HydrophobicContact CD1-CZ 4.11Å; L71-F119 HydrophobicContact CD2-CZ 4.31Å; L71-F119 HydrophobicContact CG-CZ 4.16Å
72	E	97.3	Very high	92.4	Very high	87 Å²	87	75.9 Å²	75.9	41%	0.407	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	144	-179	-64	178.4	-167.8	0	0	109.6	L55 K56 R60	L55-E72 CarbonylContact C-O 3.59Å; L55-E72 WeakPolarHBondContact CA-O 3.41Å; K56-E72 PolarHBondContact N-O 3.02Å; K56-E72 PolarHBondContact O-N 2.91Å; R60-E72 IonicContact NH2-OE1 3.18Å
73	Y	98.1	Very high	92.8	Very high	81 Å²	81	73.8 Å²	73.8	32%	0.318	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	144.2	168.3	-66.7	-82.5	0	0	0	109.6	L45 L46 K49 Y52 L55	L45-Y73 HydrophobicContact CB-CE1 4.23Å; L46-Y73 HydrophobicContact CD2-CD1 3.8Å; L46-Y73 HydrophobicContact CD2-CE1 3.98Å; K49-Y73 HydrophobicContact CD-CD1 4.37Å; K49-Y73 HydrophobicContact CD-CE1 3.94Å; K49-Y73 PolarHBondContact NZ-OH 3.4Å; Y52-Y73 VanDerWaalsContact CD1-CB 3.48Å; Y52-Y73 HydrophobicContact CD1-CG 4.49Å; Y52-Y73 AromaticContact CD2-CD1 3.88Å; Y52-Y73 HydrophobicContact CD2-CD1 3.88Å; Y52-Y73 AromaticContact CD2-CG 3.96Å; Y52-Y73 HydrophobicContact CD2-CG 3.96Å; Y52-Y73 HydrophobicContact CE2-CD1 4.41Å; Y52-Y73 HydrophobicContact CE2-CG 4.09Å; Y52-Y73 HydrophobicContact CG-CD1 4.14Å; Y52-Y73 HydrophobicContact CG-CG 4.19Å; L55-Y73 HydrophobicContact CD2-CD1 3.51Å; L55-Y73 HydrophobicContact CD2-CE1 3.78Å; L55-Y73 HydrophobicContact CD2-CG 4.08Å
74	T	97.6	Very high	93.4	Very high	15 Å²	15	71 Å²	71	9%	0.092	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	140.6	179.3	-161.6	0	0	0	0	112.5	Y52 I53 G54 K56 E76 F92	Y52-T74 CarbonylContact C-O 3.48Å; Y52-T74 WeakPolarHBondContact CA-O 3.42Å; I53-T74 HydrophobicContact CG1-CG2 4.23Å; I53-T74 WeakPolarHBondContact CG1-O 3.38Å; I53-T74 PolarHBondContact N-O 2.81Å; G54-T74 PolarHBondContact O-N 3.11Å; K56-T74 HydrophobicContact CB-CG2 4.14Å; K56-T74 WeakPolarHBondContact CE-OG1 3.47Å; T74-E76 PolarHBondContact OG1-O 2.89Å; T74-F92 HydrophobicContact CG2-CD2 3.36Å; T74-F92 HydrophobicContact CG2-CE2 3.81Å; T74-F92 HydrophobicContact CG2-CG 4.25Å
75	T	97.6	Very high	94.3	Very high	80 Å²	80	70.2 Å²	70.2	49%	0.491	35%	0.351	S	S	.	.	S	Bend	trans	-95.8	-14.5	179	58	0	0	0	0	111.8	E51 Y52 I53	E51-T75 VanDerWaalsContact O-CG2 3.31Å; E51-T75 WeakPolarHBondContact O-CG2 3.48Å; Y52-T75 HydrophobicContact CD1-CG2 3.58Å; Y52-T75 HydrophobicContact CE1-CG2 3.8Å; I53-T75 WeakPolarHBondContact CG2-O 3.37Å
76	E	95.8	Very high	95.2	Very high	127 Å²	127	65.5 Å²	65.5	59%	0.593	32%	0.324	S	S	*	.	S	Bend	trans	-147.7	154.6	-176.7	65.8	178.8	-177.7	0	0	113.1	T74	T74-E76 PolarHBondContact OG1-O 2.89Å
77	K	95.6	Very high	95.6	Very high	97 Å²	97	69.7 Å²	69.7	42%	0.422	34%	0.344	S	S	.	.			trans	-92.7	123.9	170.9	179	-174.7	-176.1	170.6	0	109	D81 E83 F92	K77-D81 WeakPolarHBondContact CE-O 3.47Å; K77-D81 HydrophobicContact CG-CB 4.13Å; K77-E83 HydrophobicContact CD-CB 4.33Å; K77-E83 IonicContact NZ-OE2 2.73Å; K77-E83 PolarHBondContact NZ-OE2 3.43Å; K77-F92 HydrophobicContact CB-CD1 3.84Å; K77-F92 HydrophobicContact CB-CE1 3.59Å; K77-F92 HydrophobicContact CB-CZ 4.34Å; K77-F92 HydrophobicContact CD-CD1 4.15Å; K77-F92 HydrophobicContact CD-CE1 3.91Å; K77-F92 HydrophobicContact CG-CD1 3.69Å; K77-F92 HydrophobicContact CG-CE1 3.77Å
78	E	95.6	Very high	95.8	Very high	103 Å²	103	70.8 Å²	70.8	48%	0.481	37%	0.366	S	S	.	.			trans	-76.3	154.8	171.9	-65.8	173.6	-136.9	0	0	111	K56 S80 D81	K56-E78 IonicContact NZ-OE1 3.69Å; K56-E78 PolarHBondContact NZ-OE1 3.08Å; E78-S80 PolarHBondContact O-N 3.48Å; E78-D81 WeakPolarHBondContact CB-OD2 3.26Å; E78-D81 PolarHBondContact N-OD2 2.77Å; E78-D81 WeakPolarHBondContact O-CB 3.24Å; E78-D81 PolarHBondContact O-N 3.44Å
79	K	94.8	Very high	96	Very high	216 Å²	216	69.5 Å²	69.5	94%	0.939	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-30.9	-177.1	-176.9	176.3	179.3	179.1	0	113.9
80	S	94.1	Very high	96.1	Very high	60 Å²	60	73.2 Å²	73.2	42%	0.42	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-0.8	-178.4	-57.9	0	0	0	0	113.5	E78 Q98	E78-S80 PolarHBondContact O-N 3.48Å; S80-Q98 PolarHBondContact O-NE2 2.68Å
81	D	95.6	Very high	96.2	Very high	12 Å²	12	71.8 Å²	71.8	6%	0.064	36%	0.364	C	S	.	.			trans	-76.5	139	179.2	-67	-16.3	0	0	0	110.4	K56 K77 E78 F92 I93	K56-D81 VanDerWaalsContact CE-OD2 3.25Å; K56-D81 WeakPolarHBondContact CE-OD2 3.48Å; K56-D81 IonicContact NZ-OD2 3.8Å; K56-D81 PolarHBondContact NZ-OD2 2.85Å; K77-D81 WeakPolarHBondContact CE-O 3.47Å; K77-D81 HydrophobicContact CG-CB 4.13Å; E78-D81 WeakPolarHBondContact CB-OD2 3.26Å; E78-D81 PolarHBondContact N-OD2 2.77Å; E78-D81 WeakPolarHBondContact O-CB 3.24Å; E78-D81 PolarHBondContact O-N 3.44Å; D81-F92 HydrophobicContact CB-CB 4.42Å; D81-I93 WeakPolarHBondContact CA-O 3.32Å
82	E	95.1	Very high	96.2	Very high	66 Å²	66	69 Å²	69	31%	0.308	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	137.3	167.2	-175.1	177	168.9	0	0	108.4	A31 F92 I93 Q98	A31-E82 WeakPolarHBondContact CB-OE1 3.16Å; A31-E82 WeakPolarHBondContact CB-OE2 3.44Å; E82-F92 CarbonylContact O-C 3.49Å; E82-F92 VanDerWaalsContact O-CA 3.31Å; E82-F92 WeakPolarHBondContact O-CA 3.44Å; E82-I93 HydrophobicContact CB-CB 4.26Å; E82-I93 PolarHBondContact N-O 2.72Å; E82-I93 PolarHBondContact O-N 3.05Å; E82-Q98 HydrophobicContact CB-CG 4.15Å
83	E	95.9	Very high	96.2	Very high	63 Å²	63	64.9 Å²	64.9	29%	0.294	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	123.1	179.1	177.5	177.5	-173.7	0	0	109.5	K77 R90 F92	K77-E83 HydrophobicContact CD-CB 4.33Å; K77-E83 IonicContact NZ-OE2 2.73Å; K77-E83 PolarHBondContact NZ-OE2 3.43Å; E83-R90 IonicContact OE1-CZ 3.47Å; E83-R90 IonicContact OE1-NE 2.87Å; E83-R90 IonicContact OE1-NH1 2.77Å; E83-R90 PolarHBondContact OE1-NH1 3.06Å; E83-F92 HydrophobicContact CB-CD1 4.07Å; E83-F92 HydrophobicContact CB-CE1 4.02Å; E83-F92 HydrophobicContact CG-CD1 4.17Å; E83-F92 HydrophobicContact CG-CE1 3.7Å; E83-F92 HydrophobicContact CG-CZ 4.45Å
84	V	95.9	Very high	96.2	Very high	10 Å²	10	62.5 Å²	62.5	6%	0.061	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	108.9	170.7	178.7	0	0	0	0	107.5	L32 R90 V91 I93	L32-V84 HydrophobicContact CB-CG2 4.31Å; L32-V84 WeakPolarHBondContact O-CG1 3.49Å; V84-R90 WeakPolarHBondContact O-CA 3.27Å; V84-V91 HydrophobicContact CB-CB 4.4Å; V84-V91 PolarHBondContact N-O 3.02Å; V84-V91 PolarHBondContact O-N 3.18Å; V84-I93 HydrophobicContact CG2-CD1 3.8Å; V84-I93 HydrophobicContact CG2-CG1 4.47Å
85	L	95.5	Very high	96.1	Very high	106 Å²	106	68.6 Å²	68.6	56%	0.555	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.6	111.2	172	177.1	65.3	0	0	0	108.4	V89 R90	L85-V89 WeakPolarHBondContact CA-O 3.37Å; L85-R90 HydrophobicContact CD1-CG 3.76Å
86	Q	96.3	Very high	95.9	Very high	48 Å²	48	72.6 Å²	72.6	22%	0.224	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	128.8	177.8	-160.9	-170.6	-66.7	0	0	109.5	L34 G88 V89	L34-Q86 HydrophobicContact CD1-CB 4.2Å; L34-Q86 HydrophobicContact CG-CB 4.42Å; L34-Q86 PolarHBondContact O-NE2 2.91Å; Q86-G88 PolarHBondContact O-N 3.39Å; Q86-V89 PolarHBondContact N-O 3.41Å; Q86-V89 WeakPolarHBondContact O-CG2 3.39Å; Q86-V89 PolarHBondContact O-N 3.24Å
87	D	95.8	Very high	95.8	Very high	98 Å²	98	66.6 Å²	66.6	52%	0.524	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	33.8	176.6	-52.2	-49.7	0	0	0	113.6	V39 R43 V89	V39-D87 HydrophobicContact CG1-CB 3.78Å; V39-D87 HydrophobicContact CG2-CB 4.42Å; R43-D87 PolarHBondContact NE-O 3.24Å; R43-D87 VanDerWaalsContact NH2-CB 3.31Å; R43-D87 PolarHBondContact NH2-O 3.44Å; D87-V89 VanDerWaalsContact C-N 3.3Å; D87-V89 PolarHBondContact O-N 3.26Å
88	G	94.6	Very high	95.7	Very high	68 Å²	68	64.1 Å²	64.1	70%	0.701	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	-0.2	180	0	0	0	0	0	115.9	Q86	Q86-G88 PolarHBondContact O-N 3.39Å
89	V	96.9	Very high	95.5	Very high	6 Å²	6	65.6 Å²	65.6	4%	0.036	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	147.1	167	-60.3	0	0	0	0	111.1	L34 V39 I42 R43 L85 Q86 D87	L34-V89 HydrophobicContact CD1-CG2 3.66Å; V39-V89 HydrophobicContact CB-CG2 4.33Å; V39-V89 HydrophobicContact CG1-CG1 4.25Å; V39-V89 HydrophobicContact CG1-CG2 4.09Å; V39-V89 HydrophobicContact CG2-CG2 4.06Å; I42-V89 HydrophobicContact CB-CB 4.4Å; I42-V89 HydrophobicContact CB-CG1 4.2Å; I42-V89 HydrophobicContact CD1-CG2 4.46Å; I42-V89 HydrophobicContact CG2-CB 3.84Å; I42-V89 HydrophobicContact CG2-CG1 3.9Å; I42-V89 HydrophobicContact CG2-CG2 4.41Å; R43-V89 HydrophobicContact CB-CG1 4.39Å; R43-V89 HydrophobicContact CG-CG1 3.27Å; L85-V89 WeakPolarHBondContact CA-O 3.37Å; Q86-V89 PolarHBondContact N-O 3.41Å; Q86-V89 WeakPolarHBondContact O-CG2 3.39Å; Q86-V89 PolarHBondContact O-N 3.24Å; D87-V89 VanDerWaalsContact C-N 3.3Å; D87-V89 PolarHBondContact O-N 3.26Å
90	R	97.1	Very high	95.3	Very high	106 Å²	106	55.9 Å²	55.9	40%	0.4	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	131.5	178	-64.8	174.7	-175	-126.6	-2.8	110.4	I53 G54 L55 E83 V84 L85 F92	I53-R90 WeakPolarHBondContact O-CB 2.97Å; I53-R90 WeakPolarHBondContact O-CD 3.47Å; G54-R90 VanDerWaalsContact CA-O 3.28Å; G54-R90 WeakPolarHBondContact CA-O 3.42Å; L55-R90 PolarHBondContact N-O 2.94Å; E83-R90 IonicContact OE1-CZ 3.47Å; E83-R90 IonicContact OE1-NE 2.87Å; E83-R90 IonicContact OE1-NH1 2.77Å; E83-R90 PolarHBondContact OE1-NH1 3.06Å; V84-R90 WeakPolarHBondContact O-CA 3.27Å; L85-R90 HydrophobicContact CD1-CG 3.76Å; R90-F92 HydrophobicContact CB-CE2 3.99Å; R90-F92 HydrophobicContact CB-CZ 4.03Å
91	V	97.9	Very high	95.3	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.3	168.3	178.6	0	0	0	0	108.3	L32 L34 I42 L55 V57 V84 M106	L32-V91 HydrophobicContact CD2-CG1 4.1Å; L34-V91 HydrophobicContact CD1-CG2 3.98Å; L34-V91 HydrophobicContact CD2-CG2 4.34Å; I42-V91 HydrophobicContact CD1-CG2 3.87Å; L55-V91 CarbonylContact O-C 3.57Å; L55-V91 VanDerWaalsContact O-CA 3.28Å; L55-V91 WeakPolarHBondContact O-CA 3.25Å; V57-V91 HydrophobicContact CG2-CG1 3.52Å; V84-V91 HydrophobicContact CB-CB 4.4Å; V84-V91 PolarHBondContact N-O 3.02Å; V84-V91 PolarHBondContact O-N 3.18Å; V91-M106 HydrophobicContact CG2-CE 4Å
92	F	97.9	Very high	95.1	Very high	1 Å²	1	56.1 Å²	56.1	0%	0.004	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	139.5	176.9	-58.5	-79.8	0	0	0	109.2	I53 L55 K56 V57 T74 K77 D81 E82 E83 R90	I53-F92 HydrophobicContact CD1-CE1 4.38Å; I53-F92 HydrophobicContact CD1-CE2 3.68Å; I53-F92 HydrophobicContact CD1-CZ 3.48Å; I53-F92 VanDerWaalsContact CD1-CZ 3.48Å; I53-F92 HydrophobicContact CG1-CE2 3.69Å; I53-F92 HydrophobicContact CG1-CZ 3.97Å; L55-F92 PolarHBondContact O-N 3.12Å; K56-F92 CarbonylContact C-O 3.6Å; K56-F92 VanDerWaalsContact CA-O 3.25Å; K56-F92 WeakPolarHBondContact CA-O 3.34Å; K56-F92 HydrophobicContact CB-CB 4.37Å; K56-F92 HydrophobicContact CG-CB 4.18Å; V57-F92 PolarHBondContact N-O 3.32Å; T74-F92 HydrophobicContact CG2-CD2 3.36Å; T74-F92 HydrophobicContact CG2-CE2 3.81Å; T74-F92 HydrophobicContact CG2-CG 4.25Å; K77-F92 HydrophobicContact CB-CD1 3.84Å; K77-F92 HydrophobicContact CB-CE1 3.59Å; K77-F92 HydrophobicContact CB-CZ 4.34Å; K77-F92 HydrophobicContact CD-CD1 4.15Å; K77-F92 HydrophobicContact CD-CE1 3.91Å; K77-F92 HydrophobicContact CG-CD1 3.69Å; K77-F92 HydrophobicContact CG-CE1 3.77Å; D81-F92 HydrophobicContact CB-CB 4.42Å; E82-F92 CarbonylContact O-C 3.49Å; E82-F92 VanDerWaalsContact O-CA 3.31Å; E82-F92 WeakPolarHBondContact O-CA 3.44Å; E83-F92 HydrophobicContact CB-CD1 4.07Å; E83-F92 HydrophobicContact CB-CE1 4.02Å; E83-F92 HydrophobicContact CG-CD1 4.17Å; E83-F92 HydrophobicContact CG-CE1 3.7Å; E83-F92 HydrophobicContact CG-CZ 4.45Å; R90-F92 HydrophobicContact CB-CE2 3.99Å; R90-F92 HydrophobicContact CB-CZ 4.03Å
93	I	97.6	Very high	94.9	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	116.5	-179	-55.2	172.9	0	0	0	108.4	A31 L32 D81 E82 V84 A97 Q98 L101	A31-I93 HydrophobicContact CB-CD1 3.98Å; L32-I93 HydrophobicContact CB-CD1 3.87Å; D81-I93 WeakPolarHBondContact CA-O 3.32Å; E82-I93 HydrophobicContact CB-CB 4.26Å; E82-I93 PolarHBondContact N-O 2.72Å; E82-I93 PolarHBondContact O-N 3.05Å; V84-I93 HydrophobicContact CG2-CD1 3.8Å; V84-I93 HydrophobicContact CG2-CG1 4.47Å; I93-A97 HydrophobicContact CG2-CB 3.88Å; I93-Q98 HydrophobicContact CB-CG 4.28Å; I93-Q98 HydrophobicContact CG2-CB 4.42Å; I93-Q98 HydrophobicContact CG2-CG 3.75Å; I93-Q98 PolarHBondContact O-NE2 2.72Å; I93-L101 HydrophobicContact CB-CD1 4.46Å; I93-L101 HydrophobicContact CD1-CD1 4.18Å; I93-L101 HydrophobicContact CG1-CD1 4.22Å; I93-L101 HydrophobicContact CG2-CD1 3.45Å; I93-L101 VanDerWaalsContact CG2-CD1 3.45Å
94	E	97.1	Very high	94.8	Very high	31 Å²	31	52 Å²	52	15%	0.145	28%	0.276	C	S	.	.			trans	-54.2	142.8	174.2	-71.3	-174.9	-177.4	0	0	110.2	K56 V57 K96 A97 Q98	K56-E94 HydrophobicContact CD-CG 3.81Å; K56-E94 HydrophobicContact CG-CG 4.02Å; V57-E94 PolarHBondContact O-N 2.98Å; E94-K96 PolarHBondContact O-N 2.73Å; E94-A97 HydrophobicContact CB-CB 4.46Å; E94-A97 PolarHBondContact O-N 2.87Å; E94-Q98 PolarHBondContact O-N 3.43Å
95	K	95.1	Very high	94.9	Very high	142 Å²	142	55.2 Å²	55.2	62%	0.617	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.7	-38.5	177.7	-172.5	-178.9	-177.8	174.2	0	114.1	A97	K95-A97 VanDerWaalsContact C-N 3.33Å
96	K	93.8	Very high	95	Very high	165 Å²	165	50.2 Å²	50.2	72%	0.717	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-26	-178.8	-66.3	179.4	-178.5	173.9	0	113	V59 E94	V59-K96 HydrophobicContact CG2-CB 3.99Å; E94-K96 PolarHBondContact O-N 2.73Å
97	A	94.6	Very high	95.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-23.8	-177.5	0	0	0	0	0	113	V59 I93 E94 K95 L99 T100 L101	V59-A97 HydrophobicContact CG1-CB 3.88Å; V59-A97 HydrophobicContact CG2-CB 4.22Å; I93-A97 HydrophobicContact CG2-CB 3.88Å; E94-A97 HydrophobicContact CB-CB 4.46Å; E94-A97 PolarHBondContact O-N 2.87Å; K95-A97 VanDerWaalsContact C-N 3.33Å; A97-L99 PolarHBondContact O-N 3.18Å; A97-T100 PolarHBondContact O-N 2.99Å; A97-T100 PolarHBondContact O-OG1 3.33Å; A97-L101 HydrophobicContact CB-CD1 3.98Å; A97-L101 PolarHBondContact O-N 2.9Å
98	Q	92.9	Very high	95.2	Very high	45 Å²	45	45.9 Å²	45.9	21%	0.21	24%	0.242	C	C	.	.	H	α-helix	trans	-48.4	-54	-173.7	-74	171	12.1	0	0	113.8	S80 E82 I93 E94 T100 L101 L102	S80-Q98 PolarHBondContact O-NE2 2.68Å; E82-Q98 HydrophobicContact CB-CG 4.15Å; I93-Q98 HydrophobicContact CB-CG 4.28Å; I93-Q98 HydrophobicContact CG2-CB 4.42Å; I93-Q98 HydrophobicContact CG2-CG 3.75Å; I93-Q98 PolarHBondContact O-NE2 2.72Å; E94-Q98 PolarHBondContact O-N 3.43Å; Q98-T100 VanDerWaalsContact C-N 3.31Å; Q98-T100 PolarHBondContact O-N 2.79Å; Q98-L101 PolarHBondContact O-N 3.14Å; Q98-L102 PolarHBondContact O-N 3.23Å
99	L	90.7	Very high	95.3	Very high	135 Å²	135	45.4 Å²	45.4	71%	0.707	23%	0.226	S	C	*	.	H	α-helix	trans	-66.2	-35	-178.9	-65.6	-178.7	0	0	0	112.6	A97 L101 L102	A97-L99 PolarHBondContact O-N 3.18Å; L99-L101 PolarHBondContact O-N 3.22Å; L99-L102 HydrophobicContact CD2-CD1 4.12Å
100	T	91.4	Very high	95.1	Very high	12 Å²	12	51.7 Å²	51.7	7%	0.074	25%	0.254	C	S	.	.	H	α-helix	trans	-71.3	-22.1	178.8	67.2	0	0	0	0	112	L67 Y69 A97 Q98 N121 I136	L67-T100 HydrophobicContact CD1-CG2 4.17Å; Y69-T100 PolarHBondContact OH-O 2.8Å; A97-T100 PolarHBondContact O-N 2.99Å; A97-T100 PolarHBondContact O-OG1 3.33Å; Q98-T100 VanDerWaalsContact C-N 3.31Å; Q98-T100 PolarHBondContact O-N 2.79Å; T100-N121 PolarHBondContact O-ND2 2.88Å; T100-I136 HydrophobicContact CG2-CD1 4.34Å
101	L	93.9	Very high	94.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-92.4	-12.9	-177	-75.8	163.3	0	0	0	113.4	A31 L32 V57 Y69 I93 A97 Q98 L99 G103 T104 F119	A31-L101 CarbonylContact O-C 3.29Å; A31-L101 VanDerWaalsContact O-C 3.29Å; L32-L101 HydrophobicContact CD1-CD2 4.2Å; V57-L101 HydrophobicContact CB-CD1 4.24Å; V57-L101 HydrophobicContact CG1-CD1 3.68Å; V57-L101 HydrophobicContact CG1-CD2 4.47Å; Y69-L101 HydrophobicContact CD1-CD2 4.01Å; Y69-L101 HydrophobicContact CD1-CG 4.42Å; Y69-L101 HydrophobicContact CE1-CD1 4.5Å; Y69-L101 HydrophobicContact CE1-CD2 3.46Å; Y69-L101 VanDerWaalsContact CE1-CD2 3.46Å; Y69-L101 HydrophobicContact CE1-CG 3.74Å; Y69-L101 HydrophobicContact CE2-CD2 4.33Å; I93-L101 HydrophobicContact CB-CD1 4.46Å; I93-L101 HydrophobicContact CD1-CD1 4.18Å; I93-L101 HydrophobicContact CG1-CD1 4.22Å; I93-L101 HydrophobicContact CG2-CD1 3.45Å; I93-L101 VanDerWaalsContact CG2-CD1 3.45Å; A97-L101 HydrophobicContact CB-CD1 3.98Å; A97-L101 PolarHBondContact O-N 2.9Å; Q98-L101 PolarHBondContact O-N 3.14Å; L99-L101 PolarHBondContact O-N 3.22Å; L101-G103 PolarHBondContact O-N 2.7Å; L101-T104 HydrophobicContact CD2-CG2 4.04Å; L101-T104 WeakPolarHBondContact O-CA 3.25Å; L101-T104 WeakPolarHBondContact O-CB 3.25Å; L101-T104 PolarHBondContact O-N 2.93Å; L101-T104 PolarHBondContact O-OG1 3.03Å; L101-F119 HydrophobicContact CD2-CD1 3.93Å; L101-F119 HydrophobicContact CD2-CE1 4.22Å
102	L	91.3	Very high	94.6	Very high	77 Å²	77	59.6 Å²	59.6	40%	0.403	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	113.9	-172.9	-69	176.1	0	0	0	114.5	A31 Q98 L99 T104 N123	A31-L102 HydrophobicContact CB-CD2 4.09Å; Q98-L102 PolarHBondContact O-N 3.23Å; L99-L102 HydrophobicContact CD2-CD1 4.12Å; L102-T104 VanDerWaalsContact C-N 3.3Å; L102-N123 PolarHBondContact O-ND2 3.27Å
103	G	89.9	Confident	94.3	Very high	41 Å²	41	67.8 Å²	67.8	42%	0.423	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	14.6	179.7	0	0	0	0	0	114.1	A31 L101 P122	A31-G103 PolarHBondContact O-N 2.85Å; L101-G103 PolarHBondContact O-N 2.7Å; G103-P122 VanDerWaalsContact O-CD 3.26Å; G103-P122 WeakPolarHBondContact O-CD 3.38Å
104	T	95.3	Very high	94	Very high	0 Å²	0	70 Å²	70	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	143.6	174.6	-59.2	0	0	0	0	109.9	A31 L32 T33 L101 L102 F119 N120 N121	A31-T104 PolarHBondContact O-N 2.88Å; L32-T104 WeakPolarHBondContact CA-O 3.33Å; L32-T104 HydrophobicContact CD1-CG2 3.87Å; L32-T104 WeakPolarHBondContact CD1-O 3.45Å; T33-T104 PolarHBondContact N-O 3.42Å; L101-T104 HydrophobicContact CD2-CG2 4.04Å; L101-T104 WeakPolarHBondContact O-CA 3.25Å; L101-T104 WeakPolarHBondContact O-CB 3.25Å; L101-T104 PolarHBondContact O-N 2.93Å; L101-T104 PolarHBondContact O-OG1 3.03Å; L102-T104 VanDerWaalsContact C-N 3.3Å; T104-F119 HydrophobicContact CG2-CB 3.96Å; T104-F119 HydrophobicContact CG2-CD1 4.07Å; T104-N120 WeakPolarHBondContact CA-O 3.08Å; T104-N121 HydrophobicContact CG2-CB 3.96Å; T104-N121 VanDerWaalsContact OG1-CB 3.27Å; T104-N121 WeakPolarHBondContact OG1-CB 3.37Å
105	E	97.1	Very high	93.9	Very high	79 Å²	79	71.7 Å²	71.7	37%	0.369	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	130.6	166.7	-178.9	-175	72.5	0	0	109.5	T33 T35 N120	T33-E105 CarbonylContact O-C 3.55Å; T33-E105 WeakPolarHBondContact O-CA 3.46Å; T35-E105 VanDerWaalsContact CG2-CD 3.47Å; T35-E105 HydrophobicContact CG2-CG 3.67Å; E105-N120 HydrophobicContact CB-CB 4.31Å; E105-N120 PolarHBondContact N-O 3.36Å; E105-N120 VanDerWaalsContact N-O 3.08Å; E105-N120 PolarHBondContact O-N 3.19Å; E105-N120 PolarHBondContact OE1-ND2 2.9Å
106	M	97.9	Very high	93.9	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	123	169.8	-178.6	170.4	66.3	0	0	109.7	L32 T33 L34 T35 A38 I42 L71 V91 F117 V118 F119	L32-M106 HydrophobicContact CD1-CB 3.86Å; L32-M106 HydrophobicContact CD2-CB 4.31Å; L32-M106 HydrophobicContact CD2-CE 4.41Å; L32-M106 HydrophobicContact CG-CB 4.3Å; T33-M106 PolarHBondContact O-N 2.6Å; L34-M106 HydrophobicContact CD2-CB 3.94Å; L34-M106 HydrophobicContact CD2-CE 3.35Å; T35-M106 PolarHBondContact N-O 3.27Å; A38-M106 VanDerWaalsContact CB-O 3.23Å; A38-M106 WeakPolarHBondContact CB-O 3.42Å; I42-M106 HydrophobicContact CD1-CE 3.7Å; L71-M106 HydrophobicContact CD1-SD 4.26Å; L71-M106 HydrophobicContact CD2-SD 4.18Å; V91-M106 HydrophobicContact CG2-CE 4Å; M106-F117 HydrophobicContact CG-CD1 4Å; M106-F117 HydrophobicContact SD-CD1 3.92Å; M106-F117 HydrophobicContact SD-CG 4.44Å; M106-V118 CarbonylContact C-O 3.59Å; M106-V118 WeakPolarHBondContact CA-O 3.34Å; M106-F119 HydrophobicContact CB-CD1 4.23Å; M106-F119 HydrophobicContact CB-CE1 4.1Å; M106-F119 HydrophobicContact CG-CD1 4.37Å; M106-F119 HydrophobicContact CG-CE1 3.98Å; M106-F119 HydrophobicContact CG-CZ 4.07Å; M106-F119 HydrophobicContact SD-CE1 3.66Å; M106-F119 HydrophobicContact SD-CE2 4.28Å; M106-F119 HydrophobicContact SD-CZ 3.47Å; M106-F119 WeakPolarHBondContact SD-CZ 3.42Å
107	D	98.1	Very high	94	Very high	32 Å²	32	63.9 Å²	63.9	17%	0.171	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	163.5	174.8	-163.8	12.2	0	0	0	111.3	T35 S37 F117 V118	T35-D107 WeakPolarHBondContact CB-OD1 3.27Å; T35-D107 HydrophobicContact CG2-CB 3.71Å; T35-D107 WeakPolarHBondContact OG1-CA 3.46Å; T35-D107 PolarHBondContact OG1-OD1 2.99Å; S37-D107 PolarHBondContact OG-OD1 3.32Å; D107-F117 CarbonylContact O-C 3.51Å; D107-F117 VanDerWaalsContact O-CA 3.24Å; D107-F117 WeakPolarHBondContact O-CA 3.42Å; D107-F117 WeakPolarHBondContact O-CD1 3.41Å; D107-V118 PolarHBondContact N-O 2.99Å; D107-V118 PolarHBondContact O-N 2.97Å
108	F	98.1	Very high	94.1	Very high	23 Å²	23	66 Å²	66	10%	0.101	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	114	165.4	-176.3	-99.9	0	0	0	109	S37 A38 K41 E110 E116 F117	S37-F108 WeakPolarHBondContact CB-O 3.49Å; A38-F108 HydrophobicContact CB-CB 4.44Å; K41-F108 HydrophobicContact CB-CB 4.03Å; K41-F108 HydrophobicContact CB-CD1 3.79Å; K41-F108 HydrophobicContact CB-CD2 4.11Å; K41-F108 HydrophobicContact CB-CE1 4.29Å; K41-F108 HydrophobicContact CB-CG 3.68Å; K41-F108 HydrophobicContact CD-CD1 3.94Å; K41-F108 HydrophobicContact CD-CD2 4.38Å; K41-F108 HydrophobicContact CD-CE1 3.53Å; K41-F108 HydrophobicContact CD-CE2 4.01Å; K41-F108 HydrophobicContact CD-CG 4.34Å; K41-F108 HydrophobicContact CD-CZ 3.56Å; K41-F108 HydrophobicContact CG-CD1 3.79Å; K41-F108 HydrophobicContact CG-CD2 3.65Å; K41-F108 HydrophobicContact CG-CE1 3.82Å; K41-F108 HydrophobicContact CG-CE2 3.68Å; K41-F108 HydrophobicContact CG-CG 3.69Å; K41-F108 HydrophobicContact CG-CZ 3.76Å; F108-E110 HydrophobicContact CE1-CB 4.25Å; F108-E116 WeakPolarHBondContact CA-O 3.37Å; F108-E116 WeakPolarHBondContact CD2-O 3.02Å; F108-F117 HydrophobicContact CB-CD1 4.11Å; F108-F117 HydrophobicContact CB-CE1 4.04Å; F108-F117 AromaticContact CD2-CD1 3.96Å; F108-F117 HydrophobicContact CD2-CD1 3.96Å; F108-F117 AromaticContact CD2-CD2 3.98Å; F108-F117 HydrophobicContact CD2-CD2 3.98Å; F108-F117 AromaticContact CD2-CE1 3.93Å; F108-F117 HydrophobicContact CD2-CE1 3.93Å; F108-F117 AromaticContact CD2-CE2 3.95Å; F108-F117 HydrophobicContact CD2-CE2 3.95Å; F108-F117 AromaticContact CD2-CG 4Å; F108-F117 HydrophobicContact CD2-CG 4Å; F108-F117 AromaticContact CD2-CZ 3.93Å; F108-F117 HydrophobicContact CD2-CZ 3.93Å; F108-F117 HydrophobicContact CE2-CD2 4.38Å; F108-F117 HydrophobicContact CE2-CE2 4.27Å; F108-F117 HydrophobicContact CG-CE1 4.37Å
109	V	96.3	Very high	94.2	Very high	59 Å²	59	65.6 Å²	65.6	36%	0.358	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	128.2	-177.1	-179.2	0	0	0	0	108.8	S115 E116 V118	V109-S115 WeakPolarHBondContact O-CA 3.28Å; V109-E116 PolarHBondContact N-O 2.68Å; V109-E116 PolarHBondContact O-N 2.84Å; V109-V118 HydrophobicContact CB-CG2 4.14Å; V109-V118 HydrophobicContact CG2-CB 4.36Å; V109-V118 HydrophobicContact CG2-CG2 3.78Å
110	E	93.9	Very high	94.4	Very high	137 Å²	137	62.8 Å²	62.8	64%	0.64	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.5	122.3	176.3	-169.7	163.4	173.7	0	0	109.6	F108	F108-E110 HydrophobicContact CE1-CB 4.25Å
111	S	91.6	Very high	94.4	Very high	58 Å²	58	63 Å²	63	41%	0.406	34%	0.337	S	S	.	.			trans	-120.3	175.7	176.8	83.2	0	0	0	0	109.8	L113 S114	S111-L113 PolarHBondContact O-N 3.31Å; S111-L113 PolarHBondContact OG-N 3.25Å; S111-S114 PolarHBondContact N-O 3.4Å; S111-S114 PolarHBondContact OG-N 3Å; S111-S114 PolarHBondContact OG-O 3Å; S111-S114 PolarHBondContact OG-OG 3.35Å
112	K	92.8	Very high	94.2	Very high	215 Å²	215	67.6 Å²	67.6	94%	0.935	37%	0.367	S	S	*	.	S	Bend	trans	-62.9	-20.7	174.8	-68.6	-175.7	179.8	179.5	0	113.4
113	L	91.8	Very high	94	Very high	172 Å²	172	67.8 Å²	67.8	90%	0.901	37%	0.369	S	S	*	.	S	Bend	trans	-116.3	-19.3	-171.3	-61	177	0	0	0	113.2	S111	S111-L113 PolarHBondContact O-N 3.31Å; S111-L113 PolarHBondContact OG-N 3.25Å
114	S	90.9	Very high	93.9	Very high	46 Å²	46	68.2 Å²	68.2	32%	0.322	36%	0.361	S	S	.	.			trans	-147.8	154.5	-174.4	64	0	0	0	0	111.9	S111	S111-S114 PolarHBondContact N-O 3.4Å; S111-S114 PolarHBondContact OG-N 3Å; S111-S114 PolarHBondContact OG-O 3Å; S111-S114 PolarHBondContact OG-OG 3.35Å
115	S	94.1	Very high	93.5	Very high	67 Å²	67	76.1 Å²	76.1	47%	0.469	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	115.4	166.2	-35.7	0	0	0	0	108	V109	V109-S115 WeakPolarHBondContact O-CA 3.28Å
116	E	95.4	Very high	92.8	Very high	103 Å²	103	73.7 Å²	73.7	48%	0.481	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	154.6	-169	67.5	-167.3	135	0	0	112.5	F108 V109 V118	F108-E116 WeakPolarHBondContact CA-O 3.37Å; F108-E116 WeakPolarHBondContact CD2-O 3.02Å; V109-E116 PolarHBondContact N-O 2.68Å; V109-E116 PolarHBondContact O-N 2.84Å; E116-V118 HydrophobicContact CG-CG2 3.93Å
117	F	96.9	Very high	92.3	Very high	41 Å²	41	78.3 Å²	78.3	18%	0.18	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	129.3	166.9	-73.6	-82.2	0	0	0	109.4	A38 K41 I42 L45 L55 L71 M106 D107 F108 F119	A38-F117 HydrophobicContact CB-CE1 4.34Å; K41-F117 HydrophobicContact CB-CE1 4.41Å; K41-F117 HydrophobicContact CB-CZ 4.14Å; K41-F117 HydrophobicContact CG-CE2 4.38Å; K41-F117 HydrophobicContact CG-CZ 3.82Å; I42-F117 HydrophobicContact CD1-CE1 4.46Å; I42-F117 HydrophobicContact CG1-CE1 4.05Å; I42-F117 HydrophobicContact CG1-CZ 4.02Å; L45-F117 HydrophobicContact CD1-CE2 3.83Å; L45-F117 HydrophobicContact CD1-CZ 3.93Å; L55-F117 HydrophobicContact CD1-CZ 4.47Å; L71-F117 HydrophobicContact CD1-CB 3.57Å; L71-F117 HydrophobicContact CD1-CD1 4.34Å; L71-F117 HydrophobicContact CD1-CD2 3.49Å; L71-F117 VanDerWaalsContact CD1-CD2 3.49Å; L71-F117 HydrophobicContact CD1-CE2 4.24Å; L71-F117 HydrophobicContact CD1-CG 3.54Å; M106-F117 HydrophobicContact CG-CD1 4Å; M106-F117 HydrophobicContact SD-CD1 3.92Å; M106-F117 HydrophobicContact SD-CG 4.44Å; D107-F117 CarbonylContact O-C 3.51Å; D107-F117 VanDerWaalsContact O-CA 3.24Å; D107-F117 WeakPolarHBondContact O-CA 3.42Å; D107-F117 WeakPolarHBondContact O-CD1 3.41Å; F108-F117 HydrophobicContact CB-CD1 4.11Å; F108-F117 HydrophobicContact CB-CE1 4.04Å; F108-F117 AromaticContact CD2-CD1 3.96Å; F108-F117 HydrophobicContact CD2-CD1 3.96Å; F108-F117 AromaticContact CD2-CD2 3.98Å; F108-F117 HydrophobicContact CD2-CD2 3.98Å; F108-F117 AromaticContact CD2-CE1 3.93Å; F108-F117 HydrophobicContact CD2-CE1 3.93Å; F108-F117 AromaticContact CD2-CE2 3.95Å; F108-F117 HydrophobicContact CD2-CE2 3.95Å; F108-F117 AromaticContact CD2-CG 4Å; F108-F117 HydrophobicContact CD2-CG 4Å; F108-F117 AromaticContact CD2-CZ 3.93Å; F108-F117 HydrophobicContact CD2-CZ 3.93Å; F108-F117 HydrophobicContact CE2-CD2 4.38Å; F108-F117 HydrophobicContact CE2-CE2 4.27Å; F108-F117 HydrophobicContact CG-CE1 4.37Å; F117-F119 HydrophobicContact CB-CE2 4.32Å
118	V	95.1	Very high	91.5	Very high	45 Å²	45	78.8 Å²	78.8	27%	0.273	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	134.4	-178.7	-179	0	0	0	0	108.9	M106 D107 V109 E116	M106-V118 CarbonylContact C-O 3.59Å; M106-V118 WeakPolarHBondContact CA-O 3.34Å; D107-V118 PolarHBondContact N-O 2.99Å; D107-V118 PolarHBondContact O-N 2.97Å; V109-V118 HydrophobicContact CB-CG2 4.14Å; V109-V118 HydrophobicContact CG2-CB 4.36Å; V109-V118 HydrophobicContact CG2-CG2 3.78Å; E116-V118 HydrophobicContact CG-CG2 3.93Å
119	F	95.4	Very high	90.5	Very high	36 Å²	36	82.4 Å²	82.4	16%	0.158	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	105.3	179.5	-68.2	-98	0	0	0	109.9	L32 V57 Y69 L71 L101 T104 M106 F117 N121	L32-F119 HydrophobicContact CD1-CD1 4.38Å; V57-F119 HydrophobicContact CG1-CE1 4.04Å; V57-F119 HydrophobicContact CG1-CZ 4.23Å; V57-F119 HydrophobicContact CG2-CE1 4.35Å; V57-F119 HydrophobicContact CG2-CZ 4.44Å; Y69-F119 HydrophobicContact CD2-CB 3.71Å; Y69-F119 HydrophobicContact CD2-CD1 4.04Å; Y69-F119 AromaticContact CD2-CD2 3.9Å; Y69-F119 HydrophobicContact CD2-CD2 3.9Å; Y69-F119 AromaticContact CD2-CG 3.61Å; Y69-F119 HydrophobicContact CD2-CG 3.61Å; Y69-F119 HydrophobicContact CE2-CB 3.76Å; Y69-F119 HydrophobicContact CE2-CD1 4.36Å; Y69-F119 HydrophobicContact CE2-CG 4.07Å; Y69-F119 HydrophobicContact CG-CD1 4.35Å; Y69-F119 HydrophobicContact CG-CD2 4.35Å; Y69-F119 HydrophobicContact CG-CG 4.24Å; L71-F119 HydrophobicContact CD1-CE2 4.21Å; L71-F119 HydrophobicContact CD1-CZ 4.11Å; L71-F119 HydrophobicContact CD2-CZ 4.31Å; L71-F119 HydrophobicContact CG-CZ 4.16Å; L101-F119 HydrophobicContact CD2-CD1 3.93Å; L101-F119 HydrophobicContact CD2-CE1 4.22Å; T104-F119 HydrophobicContact CG2-CB 3.96Å; T104-F119 HydrophobicContact CG2-CD1 4.07Å; M106-F119 HydrophobicContact CB-CD1 4.23Å; M106-F119 HydrophobicContact CB-CE1 4.1Å; M106-F119 HydrophobicContact CG-CD1 4.37Å; M106-F119 HydrophobicContact CG-CE1 3.98Å; M106-F119 HydrophobicContact CG-CZ 4.07Å; M106-F119 HydrophobicContact SD-CE1 3.66Å; M106-F119 HydrophobicContact SD-CE2 4.28Å; M106-F119 HydrophobicContact SD-CZ 3.47Å; M106-F119 WeakPolarHBondContact SD-CZ 3.42Å; F117-F119 HydrophobicContact CB-CE2 4.32Å; F119-N121 PolarHBondContact O-N 2.66Å
120	N	94.1	Very high	89.6	Confident	76 Å²	76	83.8 Å²	83.8	41%	0.406	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	87.8	177.6	-61.2	-43.6	0	0	0	109.3	T104 E105	T104-N120 WeakPolarHBondContact CA-O 3.08Å; E105-N120 HydrophobicContact CB-CB 4.31Å; E105-N120 PolarHBondContact N-O 3.36Å; E105-N120 VanDerWaalsContact N-O 3.08Å; E105-N120 PolarHBondContact O-N 3.19Å; E105-N120 PolarHBondContact OE1-ND2 2.9Å
121	N	92.8	Very high	88.8	Confident	15 Å²	15	79.8 Å²	79.8	8%	0.08	48%	0.475	C	S	.	.			trans	-102.1	114.4	-176.9	-178.8	-9.5	0	0	0	111.7	Y69 T100 T104 F119 N123 I124	Y69-N121 PolarHBondContact OH-ND2 3.44Å; T100-N121 PolarHBondContact O-ND2 2.88Å; T104-N121 HydrophobicContact CG2-CB 3.96Å; T104-N121 VanDerWaalsContact OG1-CB 3.27Å; T104-N121 WeakPolarHBondContact OG1-CB 3.37Å; F119-N121 PolarHBondContact O-N 2.66Å; N121-N123 PolarHBondContact O-N 2.94Å; N121-N123 VanDerWaalsContact O-N 3.14Å; N121-N123 WeakPolarHBondContact OD1-CB 3.33Å; N121-N123 PolarHBondContact OD1-N 2.93Å; N121-N123 PolarHBondContact OD1-ND2 2.87Å; N121-I124 HydrophobicContact CB-CD1 3.66Å; N121-I124 HydrophobicContact CB-CG1 3.8Å; N121-I124 PolarHBondContact O-N 2.96Å
122	P	89.6	Confident	88.3	Confident	98 Å²	98	81.5 Å²	81.5	64%	0.636	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-10.8	-177.4	30.1	-36.4	0	0	0	114.1	G103	G103-P122 VanDerWaalsContact O-CD 3.26Å; G103-P122 WeakPolarHBondContact O-CD 3.38Å
123	N	87.4	Confident	87.9	Confident	81 Å²	81	72 Å²	72	43%	0.433	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-3.5	-178.5	-50.9	-68.8	0	0	0	113.6	L102 N121 K125	L102-N123 PolarHBondContact O-ND2 3.27Å; N121-N123 PolarHBondContact O-N 2.94Å; N121-N123 VanDerWaalsContact O-N 3.14Å; N121-N123 WeakPolarHBondContact OD1-CB 3.33Å; N121-N123 PolarHBondContact OD1-N 2.93Å; N121-N123 PolarHBondContact OD1-ND2 2.87Å; N123-K125 PolarHBondContact O-N 2.85Å
124	I	88.1	Confident	87.6	Confident	50 Å²	50	64.5 Å²	64.5	26%	0.256	40%	0.397	S	S	.	.			trans	-68.1	125.3	176.8	-71.4	175.2	0	0	0	109.4	N121 G126 T127 F134 I136	N121-I124 HydrophobicContact CB-CD1 3.66Å; N121-I124 HydrophobicContact CB-CG1 3.8Å; N121-I124 PolarHBondContact O-N 2.96Å; I124-G126 WeakPolarHBondContact CG2-O 3.35Å; I124-T127 HydrophobicContact CG2-CG2 4.13Å; I124-F134 HydrophobicContact CD1-CB 3.81Å; I124-F134 HydrophobicContact CD1-CD1 4.26Å; I124-F134 HydrophobicContact CD1-CD2 3.88Å; I124-F134 HydrophobicContact CD1-CG 3.72Å; I124-F134 HydrophobicContact CG1-CB 4.12Å; I124-F134 HydrophobicContact CG1-CD2 3.79Å; I124-F134 HydrophobicContact CG1-CG 4.08Å; I124-F134 HydrophobicContact CG2-CB 3.91Å; I124-I136 HydrophobicContact CG1-CG2 4.37Å
125	K	85.9	Confident	87.3	Confident	166 Å²	166	66.1 Å²	66.1	72%	0.722	40%	0.403	S	S	*	.			trans	-89.5	-23.5	178.7	-68.6	-179.1	-177.8	135.8	0	113	N123 N135 I136	N123-K125 PolarHBondContact O-N 2.85Å; K125-N135 PolarHBondContact N-O 3.08Å; K125-I136 VanDerWaalsContact CD-OXT 3.28Å; K125-I136 WeakPolarHBondContact CD-OXT 3.46Å; K125-I136 WeakPolarHBondContact CE-OXT 3.4Å; K125-I136 PolarHBondContact NZ-O 3.48Å; K125-I136 PolarHBondContact NZ-OXT 3.42Å
126	G	83	Confident	86.5	Confident	28 Å²	28	67.2 Å²	67.2	29%	0.289	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.8	156.6	-179.7	0	0	0	0	0	112.6	I124 F134 N135	I124-G126 WeakPolarHBondContact CG2-O 3.35Å; G126-F134 VanDerWaalsContact O-CA 3.32Å; G126-F134 WeakPolarHBondContact O-CA 3.3Å; G126-N135 VanDerWaalsContact CA-OD1 3.3Å; G126-N135 WeakPolarHBondContact CA-OD1 3.19Å; G126-N135 PolarHBondContact N-OD1 2.69Å; G126-N135 VanDerWaalsContact N-OD1 3.08Å; G126-N135 PolarHBondContact O-N 3.03Å; G126-N135 PolarHBondContact O-OD1 2.88Å
127	T	86.1	Confident	86.1	Confident	97 Å²	97	65.4 Å²	65.4	60%	0.595	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.1	152.2	173.3	57.5	0	0	0	0	109.3	I124 S133 F134	I124-T127 HydrophobicContact CG2-CG2 4.13Å; T127-S133 CarbonylContact C-O 3.47Å; T127-S133 VanDerWaalsContact CA-O 3.29Å; T127-S133 WeakPolarHBondContact CA-O 3.29Å; T127-F134 HydrophobicContact CG2-CB 4.34Å
128	C	82.6	Confident	85.5	Confident	42 Å²	42	66.7 Å²	66.7	28%	0.284	41%	0.41	S	S	.	.			trans	-65.4	160.1	170.9	65.6	0	0	0	0	110.8	C130 G131 E132 S133	C128-C130 PolarHBondContact O-N 3.39Å; C128-C130 VanDerWaalsContact O-N 3.08Å; C128-C130 PolarHBondContact SG-SG 2.87Å; C128-G131 PolarHBondContact O-N 2.67Å; C128-E132 PolarHBondContact SG-N 3.32Å; C128-S133 PolarHBondContact N-O 3.42Å; C128-S133 PolarHBondContact SG-N 3.08Å; C128-S133 PolarHBondContact SG-OG 2.95Å
129	G	75.6	Confident	85	Confident	98 Å²	98	67.9 Å²	67.9	100%	1.01	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-21	-175.2	0	0	0	0	0	115
130	C	78.6	Confident	84.4	Confident	88 Å²	88	69.8 Å²	69.8	60%	0.595	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-2.1	173.1	56.5	0	0	0	0	114	C128 E132	C128-C130 PolarHBondContact O-N 3.39Å; C128-C130 VanDerWaalsContact O-N 3.08Å; C128-C130 PolarHBondContact SG-SG 2.87Å; C130-E132 HydrophobicContact CB-CG 4.2Å; C130-E132 PolarHBondContact O-N 3.26Å; C130-E132 PolarHBondContact SG-OE2 2.98Å; C130-E132 VanDerWaalsContact SG-OE2 3.37Å
131	G	77.5	Confident	83.7	Confident	53 Å²	53	69.4 Å²	69.4	55%	0.546	43%	0.434	S	S	.	.	S	Bend	trans	75.7	-0.4	177.7	0	0	0	0	0	115.7	C128 S133	C128-G131 PolarHBondContact O-N 2.67Å; G131-S133 VanDerWaalsContact C-N 3.32Å; G131-S133 PolarHBondContact O-N 3.23Å
132	E	81.3	Confident	83.1	Confident	95 Å²	95	73 Å²	73	44%	0.444	46%	0.458	S	S	.	.	S	Bend	trans	-79.9	-10.9	-172.4	-56.7	-178.9	124.5	0	0	114.5	R62 T68 C128 C130	R62-E132 VanDerWaalsContact CZ-CD 3.45Å; R62-E132 IonicContact CZ-OE1 2.85Å; R62-E132 IonicContact CZ-OE2 3.86Å; R62-E132 IonicContact NE-OE2 3.28Å; R62-E132 PolarHBondContact NE-OE2 2.8Å; R62-E132 IonicContact NH2-OE1 2.88Å; R62-E132 PolarHBondContact NH2-OE1 3.09Å; R62-E132 IonicContact NH2-OE2 2.69Å; R62-E132 PolarHBondContact NH2-OE2 3.43Å; T68-E132 PolarHBondContact OG1-O 2.88Å; C128-E132 PolarHBondContact SG-N 3.32Å; C130-E132 HydrophobicContact CB-CG 4.2Å; C130-E132 PolarHBondContact O-N 3.26Å; C130-E132 PolarHBondContact SG-OE2 2.98Å; C130-E132 VanDerWaalsContact SG-OE2 3.37Å
133	S	84.6	Confident	82.7	Confident	15 Å²	15	71.2 Å²	71.2	11%	0.105	45%	0.445	C	S	.	.			trans	-149.4	158.9	179.9	64.4	0	0	0	0	112.8	L67 T127 C128 G131	L67-S133 CarbonylContact O-C 3.48Å; L67-S133 WeakPolarHBondContact O-CA 3.32Å; L67-S133 WeakPolarHBondContact O-CB 3.31Å; T127-S133 CarbonylContact C-O 3.47Å; T127-S133 VanDerWaalsContact CA-O 3.29Å; T127-S133 WeakPolarHBondContact CA-O 3.29Å; C128-S133 PolarHBondContact N-O 3.42Å; C128-S133 PolarHBondContact SG-N 3.08Å; C128-S133 PolarHBondContact SG-OG 2.95Å; G131-S133 VanDerWaalsContact C-N 3.32Å; G131-S133 PolarHBondContact O-N 3.23Å
134	F	84.7	Confident	82.3	Confident	14 Å²	14	70.5 Å²	70.5	6%	0.061	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	165.3	-176.1	65.1	-90.9	0	0	0	112.7	L67 Y69 I124 G126 T127 I136	L67-F134 HydrophobicContact CB-CD2 4.41Å; L67-F134 HydrophobicContact CB-CE1 4.14Å; L67-F134 HydrophobicContact CB-CE2 3.93Å; L67-F134 HydrophobicContact CB-CZ 3.77Å; L67-F134 HydrophobicContact CD1-CE2 4.38Å; L67-F134 PolarHBondContact N-O 3.28Å; L67-F134 WeakPolarHBondContact O-CD1 3.16Å; L67-F134 WeakPolarHBondContact O-CE1 3.4Å; L67-F134 PolarHBondContact O-N 3.37Å; Y69-F134 HydrophobicContact CD1-CE1 4.31Å; Y69-F134 HydrophobicContact CD1-CZ 4.13Å; Y69-F134 HydrophobicContact CD2-CD1 4.48Å; Y69-F134 AromaticContact CD2-CE1 3.58Å; Y69-F134 HydrophobicContact CD2-CE1 3.58Å; Y69-F134 HydrophobicContact CD2-CZ 4.02Å; Y69-F134 HydrophobicContact CE1-CE1 4.16Å; Y69-F134 AromaticContact CE1-CZ 3.61Å; Y69-F134 HydrophobicContact CE1-CZ 3.61Å; Y69-F134 HydrophobicContact CE2-CD1 4.24Å; Y69-F134 AromaticContact CE2-CE1 3.4Å; Y69-F134 HydrophobicContact CE2-CE1 3.4Å; Y69-F134 VanDerWaalsContact CE2-CE1 3.4Å; Y69-F134 HydrophobicContact CE2-CE2 4.37Å; Y69-F134 AromaticContact CE2-CZ 3.49Å; Y69-F134 HydrophobicContact CE2-CZ 3.49Å; Y69-F134 VanDerWaalsContact CE2-CZ 3.49Å; Y69-F134 HydrophobicContact CG-CE1 4.04Å; Y69-F134 HydrophobicContact CG-CZ 4.31Å; Y69-F134 AromaticContact CZ-CE1 3.72Å; Y69-F134 AromaticContact CZ-CZ 3.26Å; I124-F134 HydrophobicContact CD1-CB 3.81Å; I124-F134 HydrophobicContact CD1-CD1 4.26Å; I124-F134 HydrophobicContact CD1-CD2 3.88Å; I124-F134 HydrophobicContact CD1-CG 3.72Å; I124-F134 HydrophobicContact CG1-CB 4.12Å; I124-F134 HydrophobicContact CG1-CD2 3.79Å; I124-F134 HydrophobicContact CG1-CG 4.08Å; I124-F134 HydrophobicContact CG2-CB 3.91Å; G126-F134 VanDerWaalsContact O-CA 3.32Å; G126-F134 WeakPolarHBondContact O-CA 3.3Å; T127-F134 HydrophobicContact CG2-CB 4.34Å; F134-I136 HydrophobicContact CD2-CG2 4.05Å; F134-I136 HydrophobicContact CE2-CG2 4.01Å
135	N	83.8	Confident	81.8	Confident	81 Å²	81	72.2 Å²	72.2	43%	0.433	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	150.5	164.7	67.5	-29.8	0	0	0	110.9	K125 G126	K125-N135 PolarHBondContact N-O 3.08Å; G126-N135 VanDerWaalsContact CA-OD1 3.3Å; G126-N135 WeakPolarHBondContact CA-OD1 3.19Å; G126-N135 PolarHBondContact N-OD1 2.69Å; G126-N135 VanDerWaalsContact N-OD1 3.08Å; G126-N135 PolarHBondContact O-N 3.03Å; G126-N135 PolarHBondContact O-OD1 2.88Å
136	I	78.4	Confident	81.5	Confident	89 Å²	89	63.6 Å²	63.6	46%	0.456	44%	0.438	S	S	.	.			trans	-110	0	177.3	64.7	155.6	0	0	0	112.2	T100 I124 K125 F134	T100-I136 HydrophobicContact CG2-CD1 4.34Å; I124-I136 HydrophobicContact CG1-CG2 4.37Å; K125-I136 VanDerWaalsContact CD-OXT 3.28Å; K125-I136 WeakPolarHBondContact CD-OXT 3.46Å; K125-I136 WeakPolarHBondContact CE-OXT 3.4Å; K125-I136 PolarHBondContact NZ-O 3.48Å; K125-I136 PolarHBondContact NZ-OXT 3.42Å; F134-I136 HydrophobicContact CD2-CG2 4.05Å; F134-I136 HydrophobicContact CE2-CG2 4.01Å

Retrieved 136 of 136 residues in 143 ms (Link to these results)

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