A0A077Z720_TRITR Loading...

EF-hand 7 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z720, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 202 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	56.2	Low	54.6	Low	242 Å²	242	187.5 Å²	187.5	100%	1.192	87%	0.868	S	S	*	*				0	96.8	0	-71.3	158.4	142.4	0	0	105.5
2	R	47.8	Very low	54.1	Low	232 Å²	232	182.1 Å²	182.1	88%	0.875	86%	0.858	S	S	*	*				48.5	115.7	66.5	-98.3	-171.8	-169.5	-171.4	4	109.3
3	K	57.7	Low	54.7	Low	180 Å²	180	178 Å²	178	78%	0.783	86%	0.862	S	S	*	*			cis	-162.7	145.6	34.2	-70.2	173	172.6	176.1	0	112.4
4	E	44.5	Very low	54.2	Low	192 Å²	192	175.6 Å²	175.6	90%	0.897	85%	0.854	S	S	*	*			trans	-70.4	150.7	147.1	-72.5	165.8	129.2	0	0	110.4
5	V	64.3	Low	54.5	Low	132 Å²	132	172.9 Å²	172.9	80%	0.8	86%	0.858	S	S	*	*			trans	-144.4	113.9	152.7	-174	0	0	0	0	109
6	E	44.2	Very low	54.2	Low	184 Å²	184	174.6 Å²	174.6	86%	0.86	86%	0.859	S	S	*	*			trans	-92.3	145.9	165.2	-160.2	171.8	-157.8	0	0	107.8
7	S	64.5	Low	54.1	Low	114 Å²	114	167.9 Å²	167.9	80%	0.797	85%	0.846	S	S	*	*			trans	-154	133.4	162	82.3	0	0	0	0	113.4
8	E	52.5	Low	54	Low	176 Å²	176	166 Å²	166	82%	0.822	84%	0.844	S	S	*	*			trans	-77.2	154.5	-165.6	-70.1	154.7	89.4	0	0	118
9	R	51.2	Low	54	Low	234 Å²	234	163.9 Å²	163.9	88%	0.883	84%	0.84	S	S	*	*			trans	9.6	146.2	134.5	-55.2	-178.2	176.9	-151.8	-1.1	121.4
10	R	61.7	Low	54.1	Low	239 Å²	239	161.8 Å²	161.8	90%	0.902	84%	0.841	S	S	*	*			trans	-163.7	113.3	140.5	-96.9	171.9	-141.6	177.3	4.5	109.2
11	D	55.8	Low	54	Low	137 Å²	137	159.8 Å²	159.8	73%	0.733	84%	0.838	S	S	*	*				65.6	100	97.2	-101.1	-61.6	0	0	0	115.5
12	T	48.6	Very low	54	Low	123 Å²	123	153.4 Å²	153.4	76%	0.755	82%	0.823	S	S	*	*				64	123.1	103.6	70.5	0	0	0	0	116.6
13	S	61.6	Low	54.1	Low	129 Å²	129	152.6 Å²	152.6	90%	0.902	83%	0.826	S	S	*	*				-179.2	149.5	123.9	61.2	0	0	0	0	111.7
14	L	48.6	Very low	53.6	Low	145 Å²	145	147.8 Å²	147.8	76%	0.759	83%	0.828	S	S	*	*			trans	-114.2	130.7	-164.2	178.3	82.9	0	0	0	108.2
15	C	58.8	Low	54	Low	135 Å²	135	145.3 Å²	145.3	91%	0.912	83%	0.826	S	S	*	*			trans	-142.1	124.6	158.9	-78.7	0	0	0	0	111.1
16	K	48.8	Very low	53.3	Low	199 Å²	199	143 Å²	143	87%	0.865	82%	0.816	S	S	*	*			trans	-99.5	144.1	171.6	-66	178.8	175.7	179.5	0	109.2
17	G	53.4	Low	53.7	Low	62 Å²	62	142.6 Å²	142.6	64%	0.639	81%	0.814	S	S	*	*			trans	-171	93	166.8	0	0	0	0	0	109
18	T	52.5	Low	53	Low	133 Å²	133	145.1 Å²	145.1	82%	0.816	81%	0.812	S	S	*	*				75.3	114.5	96.7	58.3	0	0	0	0	116.5
19	T	52.8	Low	52.7	Low	126 Å²	126	147.1 Å²	147.1	77%	0.773	81%	0.812	S	S	*	*			trans	76	101.8	133.1	55.6	0	0	0	0	122.3
20	S	57.4	Low	52.6	Low	122 Å²	122	139.7 Å²	139.7	85%	0.853	80%	0.795	S	S	*	*				75.2	153.8	114.9	-83.5	0	0	0	0	123.8
21	P	51.8	Low	51.9	Low	120 Å²	120	134.8 Å²	134.8	78%	0.779	79%	0.791	S	S	*	*			trans	-118.5	167.9	-144	41.6	-29.2	0	0	0	114.7
22	A	54.9	Low	51.8	Low	107 Å²	107	132.6 Å²	132.6	88%	0.884	79%	0.792	S	S	*	*			trans	-154	141.5	160.7	0	0	0	0	0	112.9
23	K	49.7	Very low	51.5	Low	216 Å²	216	132.6 Å²	132.6	94%	0.939	79%	0.794	S	S	*	*			trans	-76.6	156	-177.8	-62.3	169.6	175	179.5	0	112.1
24	G	48.6	Very low	51	Low	79 Å²	79	136.6 Å²	136.6	81%	0.814	80%	0.795	S	S	*	*			trans	174.6	134.5	163.1	0	0	0	0	0	113.7
25	T	51.7	Low	50.8	Low	139 Å²	139	139.5 Å²	139.5	85%	0.853	80%	0.802	S	S	*	*			trans	-98.2	152.1	-156.5	47.6	0	0	0	0	115.7
26	S	50.6	Low	50.2	Low	85 Å²	85	142.4 Å²	142.4	59%	0.594	80%	0.799	S	S	*	*			trans	51.3	122.7	142.4	-169.7	0	0	0	0	120.6
27	H	52.3	Low	49.8	Very low	175 Å²	175	140.9 Å²	140.9	81%	0.81	80%	0.8	S	S	*	*				173.6	119.5	108.7	-86.2	-63.7	0	0	0	112.9
28	H	49.5	Very low	49.2	Very low	167 Å²	167	149 Å²	149	77%	0.773	81%	0.811	S	S	*	*			trans	26.6	119.5	148.7	-104.7	-40.1	0	0	0	125.1
29	R	45.8	Very low	48.1	Very low	217 Å²	217	149.5 Å²	149.5	82%	0.819	81%	0.808	S	S	*	*				71.5	159.8	125.3	-110.6	-158.5	146.4	-147.2	-1.2	120
30	P	49.4	Very low	47.3	Very low	79 Å²	79	150.9 Å²	150.9	51%	0.513	82%	0.816	S	S	.	*				-137.8	-169.3	-56.2	31	-8.8	0	0	0	114.8
31	T	46.4	Very low	46	Very low	136 Å²	136	156 Å²	156	83%	0.834	82%	0.817	S	S	*	*			trans	95	135.7	160.6	77.4	0	0	0	0	114.3
32	A	54.8	Low	45	Very low	91 Å²	91	156 Å²	156	75%	0.752	82%	0.815	S	S	*	*			cis	-154.6	177.9	15.9	0	0	0	0	0	109.9
33	P	41.7	Very low	44	Very low	123 Å²	123	158 Å²	158	80%	0.799	81%	0.808	S	S	*	*			trans	-91.3	150.9	-153.2	36.5	-34.9	0	0	0	115.1
34	K	51.3	Low	43.2	Very low	212 Å²	212	156.2 Å²	156.2	92%	0.922	81%	0.808	S	S	*	*			trans	-133.4	122.6	162.2	-71.1	-168.7	177.3	-179.1	0	111.1
35	K	45	Very low	42.6	Very low	206 Å²	206	161.6 Å²	161.6	90%	0.896	80%	0.804	S	S	*	*			trans	-78.2	131.8	174.3	-66.7	178.3	176.1	179.7	0	110.8
36	K	45.6	Very low	41.8	Very low	197 Å²	197	162.3 Å²	162.3	86%	0.857	80%	0.796	S	S	*	*			trans	158	129.1	155.9	-98.3	174.1	177	-177	0	105.9
37	L	40.4	Very low	41.2	Very low	167 Å²	167	168.2 Å²	168.2	87%	0.874	81%	0.811	S	S	*	*			cis	-148.2	158.6	22.5	-84.3	122.3	0	0	0	110.3
38	R	40.5	Very low	40.8	Very low	233 Å²	233	168 Å²	168	88%	0.879	81%	0.808	S	S	*	*			trans	-65	146.3	178	-86.1	165	139.4	-179.5	-7.7	113.3
39	N	30.7	Very low	40.1	Very low	142 Å²	142	165.2 Å²	165.2	76%	0.759	80%	0.804	S	S	*	*			trans	57.2	92	146.1	-68.5	14.2	0	0	0	120
40	V	35.6	Very low	39.8	Very low	155 Å²	155	161.1 Å²	161.1	94%	0.939	80%	0.798	S	S	*	*			trans	-133.5	78.8	136.6	-173.5	0	0	0	0	107.1
41	R	30.4	Very low	39.6	Very low	230 Å²	230	162.2 Å²	162.2	87%	0.868	80%	0.803	S	S	*	*			trans	-117.9	131.7	167.5	-105	-176.4	176.6	177	-1.8	106.6
42	T	29.4	Very low	39.6	Very low	119 Å²	119	161.7 Å²	161.7	73%	0.73	79%	0.794	S	S	*	*			trans	75	103.6	174.3	-28.8	0	0	0	0	110.3
43	M	33.9	Very low	39.3	Very low	149 Å²	149	158.7 Å²	158.7	73%	0.734	77%	0.767	S	S	*	*				-163.9	87.8	78.4	-70.4	-107.4	-92.5	0	0	109.8
44	N	32.9	Very low	39.8	Very low	179 Å²	179	156.6 Å²	156.6	96%	0.957	75%	0.754	S	S	*	*			trans	-96.6	45.4	162.2	-144.4	79.8	0	0	0	108.6
45	R	36.7	Very low	39.8	Very low	192 Å²	192	151 Å²	151	73%	0.725	73%	0.731	S	S	*	*			trans	-117.4	0.3	-161.1	-160.5	167.3	-162.5	-148.9	3.4	116.9
46	F	35.5	Very low	40.4	Very low	154 Å²	154	143.3 Å²	143.3	68%	0.675	70%	0.699	S	S	*	*			trans	-141.3	70.7	174	-68.2	-81	0	0	0	111.6
47	K	38.5	Very low	40.9	Very low	209 Å²	209	141.5 Å²	141.5	91%	0.909	69%	0.694	S	S	*	*			trans	-102.5	85.3	145.8	-72.8	-168.3	175.6	-168	0	106.1
48	K	42.5	Very low	42	Very low	172 Å²	172	139.8 Å²	139.8	75%	0.748	69%	0.686	S	S	*	*			trans	-91.8	112.3	161.6	-77.5	-169.6	178	-178.5	0	106
49	P	35.4	Very low	43.4	Very low	108 Å²	108	130.3 Å²	130.3	70%	0.701	65%	0.652	S	S	*	*			trans	-71.3	135.2	176.3	31.2	-30.2	0	0	0	108.4	V51	P49-V51 WeakPolarHBondContact O-CG2 3.37Å; P49-V51 PolarHBondContact O-N 3.26Å
50	N	39.2	Very low	45.6	Very low	130 Å²	130	127.2 Å²	127.2	70%	0.695	64%	0.638	S	S	*	*			trans	14.9	80.3	159.3	-82.2	-38.5	0	0	0	115.8
51	V	44.3	Very low	47.6	Very low	102 Å²	102	126.5 Å²	126.5	62%	0.618	63%	0.625	S	S	*	*			trans	-106.9	106.6	162.7	-173.7	0	0	0	0	105.1	P49 P53	P49-V51 WeakPolarHBondContact O-CG2 3.37Å; P49-V51 PolarHBondContact O-N 3.26Å; V51-P53 WeakPolarHBondContact O-CD 3.21Å; V51-P53 VanDerWaalsContact O-N 3.07Å
52	I	47.9	Very low	49.7	Very low	125 Å²	125	121.5 Å²	121.5	64%	0.641	62%	0.615	S	S	*	*			trans	-50.3	117.7	163.7	-62	174.3	0	0	0	105.9	L56	I52-L56 HydrophobicContact CG2-CB 4.21Å; I52-L56 HydrophobicContact CG2-CD1 3.45Å; I52-L56 VanDerWaalsContact CG2-CD1 3.45Å; I52-L56 HydrophobicContact CG2-CG 3.96Å
53	P	47.6	Very low	51.9	Low	28 Å²	28	118.7 Å²	118.7	18%	0.182	59%	0.594	C	S	.	*			trans	-61.4	138.6	-175.4	-27.9	40	0	0	0	109.6	V51 E55 L56 I112 Q125	V51-P53 WeakPolarHBondContact O-CD 3.21Å; V51-P53 VanDerWaalsContact O-N 3.07Å; P53-E55 HydrophobicContact CB-CB 4.38Å; P53-E55 PolarHBondContact O-N 3.32Å; P53-L56 PolarHBondContact O-N 3Å; P53-I112 HydrophobicContact CG-CD1 4.26Å; P53-Q125 VanDerWaalsContact CG-NE2 3.35Å
54	P	52.8	Low	54.1	Low	80 Å²	80	113.9 Å²	113.9	52%	0.519	57%	0.571	S	S	.	*	G	3₁₀ helix	trans	-55.8	-15.1	179.1	22.3	-32.7	0	0	0	112.8	L56 E57	P54-L56 PolarHBondContact O-N 2.79Å; P54-L56 VanDerWaalsContact O-N 3.13Å; P54-E57 VanDerWaalsContact O-CB 3.24Å; P54-E57 WeakPolarHBondContact O-CB 3.19Å; P54-E57 WeakPolarHBondContact O-CG 3.49Å; P54-E57 PolarHBondContact O-N 2.93Å
55	E	51.3	Low	56.3	Low	94 Å²	94	108.8 Å²	108.8	44%	0.439	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-54.3	-22.5	169.8	-116.4	67.2	-151.6	0	0	115.7	P53 E57 K128 K132	P53-E55 HydrophobicContact CB-CB 4.38Å; P53-E55 PolarHBondContact O-N 3.32Å; E55-E57 VanDerWaalsContact C-N 3.31Å; E55-K128 WeakPolarHBondContact O-CD 3.23Å; E55-K128 PolarHBondContact O-NZ 3.06Å; E55-K132 IonicContact OE1-NZ 2.93Å; E55-K132 PolarHBondContact OE1-NZ 3.26Å
56	L	56.4	Low	58.3	Low	44 Å²	44	105.8 Å²	105.8	23%	0.23	54%	0.535	C	S	.	.	G	3₁₀ helix	trans	-78.8	-11.7	173.6	-60	-168.2	0	0	0	113.3	I52 P53 P54 N58 I59 C124 Q125	I52-L56 HydrophobicContact CG2-CB 4.21Å; I52-L56 HydrophobicContact CG2-CD1 3.45Å; I52-L56 VanDerWaalsContact CG2-CD1 3.45Å; I52-L56 HydrophobicContact CG2-CG 3.96Å; P53-L56 PolarHBondContact O-N 3Å; P54-L56 PolarHBondContact O-N 2.79Å; P54-L56 VanDerWaalsContact O-N 3.13Å; L56-N58 PolarHBondContact O-N 2.84Å; L56-N58 VanDerWaalsContact O-N 3.08Å; L56-I59 HydrophobicContact CD2-CD1 3.77Å; L56-I59 PolarHBondContact O-N 2.87Å; L56-C124 HydrophobicContact CD2-CB 4.1Å; L56-Q125 HydrophobicContact CD2-CB 4.45Å
57	E	57.2	Low	60.5	Low	160 Å²	160	98.7 Å²	98.7	75%	0.748	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-66	-14.2	-175	-67.5	-179.6	169.8	0	0	114	P54 E55	P54-E57 VanDerWaalsContact O-CB 3.24Å; P54-E57 WeakPolarHBondContact O-CB 3.19Å; P54-E57 WeakPolarHBondContact O-CG 3.49Å; P54-E57 PolarHBondContact O-N 2.93Å; E55-E57 VanDerWaalsContact C-N 3.31Å
58	N	63	Low	62.7	Low	131 Å²	131	94.1 Å²	94.1	70%	0.701	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-120.7	37.8	-179.2	-59.4	-45.1	0	0	0	112.9	L56 K128	L56-N58 PolarHBondContact O-N 2.84Å; L56-N58 VanDerWaalsContact O-N 3.08Å; N58-K128 PolarHBondContact O-NZ 3.16Å
59	I	69.6	Low	64.5	Low	34 Å²	34	91 Å²	91	17%	0.174	47%	0.47	C	S	.	.			trans	-91.5	120	167.5	-56.4	-178.6	0	0	0	106.7	L56 E63 L64 Y67 C124 K128	L56-I59 HydrophobicContact CD2-CD1 3.77Å; L56-I59 PolarHBondContact O-N 2.87Å; I59-E63 HydrophobicContact CG2-CB 3.71Å; I59-L64 HydrophobicContact CD1-CD1 4.49Å; I59-L64 HydrophobicContact CG2-CB 3.81Å; I59-L64 HydrophobicContact CG2-CD1 4.19Å; I59-Y67 HydrophobicContact CD1-CD2 4.3Å; I59-Y67 HydrophobicContact CD1-CE2 4.21Å; I59-Y67 HydrophobicContact CG2-CD2 4.17Å; I59-Y67 HydrophobicContact CG2-CE2 4.03Å; I59-C124 HydrophobicContact CD1-CB 3.85Å; I59-K128 HydrophobicContact CD1-CD 3.9Å; I59-K128 HydrophobicContact CD1-CG 4.44Å; I59-K128 HydrophobicContact CG1-CD 3.6Å; I59-K128 HydrophobicContact CG1-CG 4.38Å; I59-K128 VanDerWaalsContact N-NZ 3.19Å
60	T	76.8	Confident	66.7	Low	77 Å²	77	86.8 Å²	86.8	47%	0.472	44%	0.444	S	S	.	.			trans	-68	156.2	171.8	59.3	0	0	0	0	110.6	D62 E63 L64	T60-D62 PolarHBondContact O-N 3.02Å; T60-E63 PolarHBondContact N-OE2 2.83Å; T60-E63 PolarHBondContact O-N 2.76Å; T60-E63 WeakPolarHBondContact OG1-CB 3.32Å; T60-E63 WeakPolarHBondContact OG1-CG 3.47Å; T60-E63 PolarHBondContact OG1-N 2.86Å; T60-E63 PolarHBondContact OG1-OE2 3.37Å; T60-L64 WeakPolarHBondContact O-CB 3.44Å; T60-L64 PolarHBondContact O-N 3.06Å
61	E	77.3	Confident	68.8	Low	139 Å²	139	81.1 Å²	81.1	65%	0.65	41%	0.413	S	S	*	.	H	α-helix	trans	-59.5	-35	178.9	-171.4	64.9	-156.7	0	0	111.7	L64 Q65	E61-L64 PolarHBondContact O-N 2.96Å; E61-Q65 WeakPolarHBondContact O-CB 3.47Å; E61-Q65 PolarHBondContact O-N 2.76Å
62	D	75.6	Confident	70.7	Confident	125 Å²	125	84.1 Å²	84.1	67%	0.668	41%	0.413	S	S	*	.	H	α-helix	trans	-65.8	-47.5	176.5	-65.2	-29.9	0	0	0	111.5	T60 L64 Q65 E66	T60-D62 PolarHBondContact O-N 3.02Å; D62-L64 VanDerWaalsContact C-N 3.3Å; D62-L64 PolarHBondContact O-N 3.01Å; D62-Q65 WeakPolarHBondContact O-CB 3.44Å; D62-Q65 PolarHBondContact O-N 3.05Å; D62-E66 WeakPolarHBondContact O-CG 3.05Å; D62-E66 PolarHBondContact O-N 3.1Å
63	E	75.8	Confident	72.2	Confident	60 Å²	60	83.8 Å²	83.8	28%	0.28	41%	0.412	S	S	.	.	H	α-helix	trans	-61.2	-39.1	173.8	-74.4	170.6	121.7	0	0	111.9	I59 T60 Q65 E66 Y67	I59-E63 HydrophobicContact CG2-CB 3.71Å; T60-E63 PolarHBondContact N-OE2 2.83Å; T60-E63 PolarHBondContact O-N 2.76Å; T60-E63 WeakPolarHBondContact OG1-CB 3.32Å; T60-E63 WeakPolarHBondContact OG1-CG 3.47Å; T60-E63 PolarHBondContact OG1-N 2.86Å; T60-E63 PolarHBondContact OG1-OE2 3.37Å; E63-Q65 VanDerWaalsContact C-N 3.3Å; E63-Q65 PolarHBondContact O-N 3.13Å; E63-E66 PolarHBondContact O-N 2.93Å; E63-Y67 HydrophobicContact CB-CE2 4.26Å; E63-Y67 WeakPolarHBondContact O-CB 3.3Å; E63-Y67 WeakPolarHBondContact O-CD2 3.36Å; E63-Y67 PolarHBondContact O-N 3.27Å
64	L	79.6	Confident	73.9	Confident	48 Å²	48	83.9 Å²	83.9	25%	0.251	41%	0.409	S	S	.	.	H	α-helix	trans	-65.2	-38.3	178.6	-169.8	67.2	0	0	0	111.1	I59 T60 E61 D62 Y67 R68 F120	I59-L64 HydrophobicContact CD1-CD1 4.49Å; I59-L64 HydrophobicContact CG2-CB 3.81Å; I59-L64 HydrophobicContact CG2-CD1 4.19Å; T60-L64 WeakPolarHBondContact O-CB 3.44Å; T60-L64 PolarHBondContact O-N 3.06Å; E61-L64 PolarHBondContact O-N 2.96Å; D62-L64 VanDerWaalsContact C-N 3.3Å; D62-L64 PolarHBondContact O-N 3.01Å; L64-Y67 PolarHBondContact O-N 3.22Å; L64-R68 VanDerWaalsContact O-CB 3.28Å; L64-R68 WeakPolarHBondContact O-CB 3.49Å; L64-R68 PolarHBondContact O-N 2.98Å; L64-F120 HydrophobicContact CD1-CE1 3.83Å; L64-F120 HydrophobicContact CD1-CZ 3.83Å; L64-F120 HydrophobicContact CG-CZ 4.4Å
65	Q	79.5	Confident	75.6	Confident	73 Å²	73	80.8 Å²	80.8	34%	0.341	39%	0.388	S	S	.	.	H	α-helix	trans	-65.9	-44.5	175	-179.6	59.5	26.8	0	0	111	E61 D62 E63 R68 E69	E61-Q65 WeakPolarHBondContact O-CB 3.47Å; E61-Q65 PolarHBondContact O-N 2.76Å; D62-Q65 WeakPolarHBondContact O-CB 3.44Å; D62-Q65 PolarHBondContact O-N 3.05Å; E63-Q65 VanDerWaalsContact C-N 3.3Å; E63-Q65 PolarHBondContact O-N 3.13Å; Q65-R68 PolarHBondContact O-N 3.48Å; Q65-E69 PolarHBondContact NE2-OE1 3.47Å; Q65-E69 WeakPolarHBondContact O-CG 3.5Å; Q65-E69 PolarHBondContact O-N 3.2Å
66	E	78	Confident	77	Confident	128 Å²	128	82.4 Å²	82.4	60%	0.598	39%	0.394	S	S	*	.	H	α-helix	trans	-59.9	-46.2	173.5	-72.4	-178.3	-158.3	0	0	111.8	D62 E63 R68 E69 A70	D62-E66 WeakPolarHBondContact O-CG 3.05Å; D62-E66 PolarHBondContact O-N 3.1Å; E63-E66 PolarHBondContact O-N 2.93Å; E66-R68 VanDerWaalsContact C-N 3.28Å; E66-R68 PolarHBondContact O-N 3.22Å; E66-E69 PolarHBondContact O-N 2.73Å; E66-A70 WeakPolarHBondContact O-CB 3.27Å; E66-A70 PolarHBondContact O-N 3.12Å
67	Y	83	Confident	78.4	Confident	6 Å²	6	85.4 Å²	85.4	2%	0.024	41%	0.411	C	S	.	.	H	α-helix	trans	-63.4	-35.1	176.7	-64.3	-18.6	0	0	0	111.9	I59 E63 L64 F71 F123 C124 M127 K128 N131	I59-Y67 HydrophobicContact CD1-CD2 4.3Å; I59-Y67 HydrophobicContact CD1-CE2 4.21Å; I59-Y67 HydrophobicContact CG2-CD2 4.17Å; I59-Y67 HydrophobicContact CG2-CE2 4.03Å; E63-Y67 HydrophobicContact CB-CE2 4.26Å; E63-Y67 WeakPolarHBondContact O-CB 3.3Å; E63-Y67 WeakPolarHBondContact O-CD2 3.36Å; E63-Y67 PolarHBondContact O-N 3.27Å; L64-Y67 PolarHBondContact O-N 3.22Å; Y67-F71 VanDerWaalsContact O-CB 3.28Å; Y67-F71 WeakPolarHBondContact O-CB 3.49Å; Y67-F71 PolarHBondContact O-N 3.48Å; Y67-F123 WeakPolarHBondContact O-CE1 3.23Å; Y67-C124 HydrophobicContact CD2-CB 4.4Å; Y67-M127 HydrophobicContact CD1-CB 3.81Å; Y67-M127 HydrophobicContact CD1-CE 3.93Å; Y67-M127 HydrophobicContact CD1-CG 4.06Å; Y67-M127 HydrophobicContact CD2-CB 4.47Å; Y67-M127 HydrophobicContact CE1-CB 3.66Å; Y67-M127 HydrophobicContact CE1-CE 4.09Å; Y67-M127 HydrophobicContact CE1-CG 4.35Å; Y67-M127 HydrophobicContact CE2-CB 4.36Å; Y67-M127 HydrophobicContact CG-CB 4.23Å; Y67-M127 HydrophobicContact CG-CG 4.48Å; Y67-K128 HydrophobicContact CE2-CG 4.07Å; Y67-N131 PolarHBondContact OH-ND2 3.04Å; Y67-N131 VanDerWaalsContact OH-ND2 3.1Å
68	R	83	Confident	79.9	Confident	113 Å²	113	80.5 Å²	80.5	43%	0.426	40%	0.403	S	S	.	.	H	α-helix	trans	-69	-39.7	175.4	-178.6	176.4	-90.3	-175.8	-4.9	112.1	L64 Q65 E66 R72 F120	L64-R68 VanDerWaalsContact O-CB 3.28Å; L64-R68 WeakPolarHBondContact O-CB 3.49Å; L64-R68 PolarHBondContact O-N 2.98Å; Q65-R68 PolarHBondContact O-N 3.48Å; E66-R68 VanDerWaalsContact C-N 3.28Å; E66-R68 PolarHBondContact O-N 3.22Å; R68-R72 WeakPolarHBondContact O-CG 3.24Å; R68-R72 PolarHBondContact O-N 2.93Å; R68-R72 VanDerWaalsContact O-N 3.14Å; R68-F120 HydrophobicContact CB-CE2 3.91Å; R68-F120 HydrophobicContact CB-CZ 3.86Å
69	E	80.8	Confident	81.1	Confident	107 Å²	107	78.2 Å²	78.2	50%	0.5	39%	0.39	S	S	.	.	H	α-helix	trans	-65.6	-44.6	174	-73	-179.2	-170.2	0	0	111.2	Q65 E66 R72 L73	Q65-E69 PolarHBondContact NE2-OE1 3.47Å; Q65-E69 WeakPolarHBondContact O-CG 3.5Å; Q65-E69 PolarHBondContact O-N 3.2Å; E66-E69 PolarHBondContact O-N 2.73Å; E69-R72 PolarHBondContact O-N 2.93Å; E69-L73 PolarHBondContact O-N 3.32Å
70	A	81.3	Confident	82	Confident	19 Å²	19	78.3 Å²	78.3	16%	0.157	40%	0.4	C	S	.	.	H	α-helix	trans	-57.1	-53.2	172.6	0	0	0	0	0	110.4	E66 R72 L73 F74 F123 M127	E66-A70 WeakPolarHBondContact O-CB 3.27Å; E66-A70 PolarHBondContact O-N 3.12Å; A70-R72 VanDerWaalsContact C-N 3.27Å; A70-R72 PolarHBondContact O-N 2.79Å; A70-L73 WeakPolarHBondContact O-CA 3.42Å; A70-L73 VanDerWaalsContact O-CB 3.24Å; A70-L73 WeakPolarHBondContact O-CB 3.35Å; A70-L73 PolarHBondContact O-N 3.04Å; A70-F74 WeakPolarHBondContact O-CD2 3.37Å; A70-F74 PolarHBondContact O-N 3.32Å; A70-F123 HydrophobicContact CB-CE1 4.03Å; A70-F123 HydrophobicContact CB-CZ 4.02Å; A70-M127 HydrophobicContact CB-CE 4.42Å
71	F	83.6	Confident	82.6	Confident	11 Å²	11	76.1 Å²	76.1	5%	0.048	39%	0.387	C	S	.	.	H	α-helix	trans	-51.3	-44.6	179.9	-173.4	-89.8	0	0	0	112.5	Y67 L73 F74 D75 G80 I82 F120 F123	Y67-F71 VanDerWaalsContact O-CB 3.28Å; Y67-F71 WeakPolarHBondContact O-CB 3.49Å; Y67-F71 PolarHBondContact O-N 3.48Å; F71-L73 PolarHBondContact O-N 2.91Å; F71-F74 PolarHBondContact O-N 3.03Å; F71-D75 HydrophobicContact CD1-CB 4.09Å; F71-D75 HydrophobicContact CE1-CB 3.76Å; F71-D75 HydrophobicContact CZ-CB 4.42Å; F71-D75 PolarHBondContact O-N 3.18Å; F71-G80 WeakPolarHBondContact CZ-O 3.49Å; F71-I82 HydrophobicContact CD2-CD1 3.47Å; F71-I82 VanDerWaalsContact CD2-CD1 3.47Å; F71-I82 HydrophobicContact CD2-CG1 4.12Å; F71-I82 HydrophobicContact CE2-CD1 3.41Å; F71-I82 VanDerWaalsContact CE2-CD1 3.41Å; F71-I82 HydrophobicContact CE2-CG1 3.65Å; F71-I82 HydrophobicContact CG-CD1 4.28Å; F71-I82 HydrophobicContact CZ-CD1 4.16Å; F71-I82 HydrophobicContact CZ-CG1 3.9Å; F71-F120 HydrophobicContact CB-CD2 3.85Å; F71-F120 HydrophobicContact CB-CE2 4.09Å; F71-F120 HydrophobicContact CD1-CD2 4.29Å; F71-F120 HydrophobicContact CD2-CB 4.4Å; F71-F120 AromaticContact CD2-CD2 3.85Å; F71-F120 HydrophobicContact CD2-CD2 3.85Å; F71-F120 HydrophobicContact CE2-CB 4.22Å; F71-F120 HydrophobicContact CE2-CD2 4.49Å; F71-F120 AromaticContact CG-CD2 3.73Å; F71-F120 HydrophobicContact CG-CD2 3.73Å; F71-F120 HydrophobicContact CG-CE2 4.46Å; F71-F120 HydrophobicContact CZ-CB 4.37Å; F71-F123 HydrophobicContact CB-CD1 4.02Å; F71-F123 HydrophobicContact CB-CE1 4.04Å; F71-F123 HydrophobicContact CD2-CB 3.6Å; F71-F123 AromaticContact CD2-CD1 3.84Å; F71-F123 HydrophobicContact CD2-CD1 3.84Å; F71-F123 HydrophobicContact CD2-CD2 4.02Å; F71-F123 AromaticContact CD2-CG 3.56Å; F71-F123 HydrophobicContact CD2-CG 3.56Å; F71-F123 HydrophobicContact CE2-CB 3.93Å; F71-F123 HydrophobicContact CE2-CG 4.29Å; F71-F123 HydrophobicContact CG-CD1 4.45Å
72	R	83.6	Confident	83.1	Confident	165 Å²	165	69.5 Å²	69.5	62%	0.623	36%	0.356	S	S	*	.	H	α-helix	trans	-64.1	-22.7	176.8	-73.3	174.7	176.4	175.8	0.7	114.1	R68 E69 A70	R68-R72 WeakPolarHBondContact O-CG 3.24Å; R68-R72 PolarHBondContact O-N 2.93Å; R68-R72 VanDerWaalsContact O-N 3.14Å; E69-R72 PolarHBondContact O-N 2.93Å; A70-R72 VanDerWaalsContact C-N 3.27Å; A70-R72 PolarHBondContact O-N 2.79Å
73	L	80	Confident	83.9	Confident	118 Å²	118	65.5 Å²	65.5	62%	0.618	34%	0.336	S	S	*	.	H	α-helix	trans	-75.4	-29.8	172.6	-64.5	170.9	0	0	0	111.7	E69 A70 F71 K76	E69-L73 PolarHBondContact O-N 3.32Å; A70-L73 WeakPolarHBondContact O-CA 3.42Å; A70-L73 VanDerWaalsContact O-CB 3.24Å; A70-L73 WeakPolarHBondContact O-CB 3.35Å; A70-L73 PolarHBondContact O-N 3.04Å; F71-L73 PolarHBondContact O-N 2.91Å; L73-K76 WeakPolarHBondContact O-CE 3.32Å; L73-K76 PolarHBondContact O-NZ 3.46Å
74	F	84	Confident	84.5	Confident	29 Å²	29	64.6 Å²	64.6	13%	0.127	33%	0.334	C	S	.	.	H	α-helix	trans	-82.5	-50.4	177.1	-67.5	-97.9	0	0	0	111.6	A70 F71 K76 I82 E86 L87 A90 F123	A70-F74 WeakPolarHBondContact O-CD2 3.37Å; A70-F74 PolarHBondContact O-N 3.32Å; F71-F74 PolarHBondContact O-N 3.03Å; F74-K76 PolarHBondContact O-N 3.39Å; F74-I82 HydrophobicContact CB-CD1 3.46Å; F74-I82 VanDerWaalsContact CB-CD1 3.46Å; F74-I82 HydrophobicContact CB-CG1 3.77Å; F74-I82 HydrophobicContact CB-CG2 4.14Å; F74-I82 HydrophobicContact CG-CD1 4.1Å; F74-E86 WeakPolarHBondContact O-CB 3.48Å; F74-L87 HydrophobicContact CD1-CD1 4.23Å; F74-L87 HydrophobicContact CE1-CD1 4.22Å; F74-A90 HydrophobicContact CD1-CB 3.04Å; F74-A90 HydrophobicContact CE1-CB 3.13Å; F74-A90 HydrophobicContact CG-CB 3.9Å; F74-A90 HydrophobicContact CZ-CB 4.04Å; F74-F123 AromaticContact CD2-CE2 3.75Å; F74-F123 HydrophobicContact CD2-CE2 3.75Å; F74-F123 AromaticContact CD2-CZ 3.79Å; F74-F123 HydrophobicContact CD2-CZ 3.79Å; F74-F123 AromaticContact CE2-CE2 3.92Å; F74-F123 HydrophobicContact CE2-CE2 3.92Å; F74-F123 AromaticContact CE2-CZ 3.77Å; F74-F123 HydrophobicContact CE2-CZ 3.77Å; F74-F123 HydrophobicContact CG-CE2 4.21Å; F74-F123 HydrophobicContact CZ-CE2 4.45Å
75	D	87.6	Confident	85.1	Confident	15 Å²	15	70.1 Å²	70.1	8%	0.08	36%	0.356	C	S	.	.			trans	-69.4	91.9	178	179.2	7.9	0	0	0	110.2	F71 D77 G78 N79 G80 I82	F71-D75 HydrophobicContact CD1-CB 4.09Å; F71-D75 HydrophobicContact CE1-CB 3.76Å; F71-D75 HydrophobicContact CZ-CB 4.42Å; F71-D75 PolarHBondContact O-N 3.18Å; D75-D77 VanDerWaalsContact OD1-OD1 3.04Å; D75-G78 VanDerWaalsContact CG-CA 3.49Å; D75-G78 WeakPolarHBondContact OD1-CA 3.33Å; D75-G78 PolarHBondContact OD1-N 3.06Å; D75-G78 VanDerWaalsContact OD2-C 3.29Å; D75-G78 VanDerWaalsContact OD2-CA 3.3Å; D75-G78 WeakPolarHBondContact OD2-CA 3.31Å; D75-N79 PolarHBondContact OD1-N 3.42Å; D75-N79 VanDerWaalsContact OD1-N 3.12Å; D75-N79 PolarHBondContact OD2-N 3.43Å; D75-G80 WeakPolarHBondContact OD2-CA 3.44Å; D75-G80 PolarHBondContact OD2-N 3.24Å; D75-I82 HydrophobicContact CB-CG1 4.35Å
76	K	81	Confident	85.6	Confident	128 Å²	128	67.2 Å²	67.2	56%	0.557	34%	0.343	S	S	*	.	S	Bend	trans	-78.5	-32.3	-171.8	-69.7	-51.9	-170.7	-164.9	0	111.9	L73 F74 E86	L73-K76 WeakPolarHBondContact O-CE 3.32Å; L73-K76 PolarHBondContact O-NZ 3.46Å; F74-K76 PolarHBondContact O-N 3.39Å; K76-E86 HydrophobicContact CB-CG 4.37Å; K76-E86 HydrophobicContact CG-CG 4.34Å; K76-E86 PolarHBondContact N-OE1 3.37Å
77	D	86.9	Confident	86	Confident	108 Å²	108	61.3 Å²	61.3	58%	0.578	32%	0.315	S	S	*	.	S	Bend	trans	-90.2	-11.9	179.4	72.5	8.4	0	0	0	112.8	D75 N79 E86	D75-D77 VanDerWaalsContact OD1-OD1 3.04Å; D77-N79 VanDerWaalsContact C-N 3.31Å; D77-N79 VanDerWaalsContact CG-ND2 3.27Å; D77-N79 WeakPolarHBondContact OD1-CB 3.5Å; D77-N79 PolarHBondContact OD1-N 2.95Å; D77-N79 PolarHBondContact OD1-ND2 2.97Å; D77-N79 PolarHBondContact OD2-ND2 2.94Å; D77-E86 PolarHBondContact N-OE1 3.07Å
78	G	87.1	Confident	86.1	Confident	57 Å²	57	61.1 Å²	61.1	59%	0.588	32%	0.316	S	S	*	.			trans	74.4	22.4	177	0	0	0	0	0	112.7	D75 G80	D75-G78 VanDerWaalsContact CG-CA 3.49Å; D75-G78 WeakPolarHBondContact OD1-CA 3.33Å; D75-G78 PolarHBondContact OD1-N 3.06Å; D75-G78 VanDerWaalsContact OD2-C 3.29Å; D75-G78 VanDerWaalsContact OD2-CA 3.3Å; D75-G78 WeakPolarHBondContact OD2-CA 3.31Å; G78-G80 PolarHBondContact O-N 3.25Å
79	N	88.8	Confident	86.3	Confident	82 Å²	82	60 Å²	60	44%	0.439	32%	0.317	S	S	.	.	S	Bend	trans	-78.5	-7.6	-176.2	74.4	27.4	0	0	0	113.2	D75 D77 T81	D75-N79 PolarHBondContact OD1-N 3.42Å; D75-N79 VanDerWaalsContact OD1-N 3.12Å; D75-N79 PolarHBondContact OD2-N 3.43Å; D77-N79 VanDerWaalsContact C-N 3.31Å; D77-N79 VanDerWaalsContact CG-ND2 3.27Å; D77-N79 WeakPolarHBondContact OD1-CB 3.5Å; D77-N79 PolarHBondContact OD1-N 2.95Å; D77-N79 PolarHBondContact OD1-ND2 2.97Å; D77-N79 PolarHBondContact OD2-ND2 2.94Å; N79-T81 WeakPolarHBondContact OD1-CA 3.28Å; N79-T81 WeakPolarHBondContact OD1-CB 3.32Å; N79-T81 PolarHBondContact OD1-N 2.83Å; N79-T81 PolarHBondContact OD1-O 2.92Å; N79-T81 VanDerWaalsContact OD1-O 3.06Å; N79-T81 PolarHBondContact OD1-OG1 2.83Å
80	G	87.7	Confident	86.2	Confident	36 Å²	36	55.4 Å²	55.4	37%	0.371	30%	0.297	S	S	.	.	S	Bend	trans	91.4	7.2	179.9	0	0	0	0	0	114.7	F71 D75 G78	F71-G80 WeakPolarHBondContact CZ-O 3.49Å; D75-G80 WeakPolarHBondContact OD2-CA 3.44Å; D75-G80 PolarHBondContact OD2-N 3.24Å; G78-G80 PolarHBondContact O-N 3.25Å
81	T	90.5	Very high	86.1	Confident	32 Å²	32	56.1 Å²	56.1	20%	0.196	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	148	179.2	68.7	0	0	0	0	110.4	N79 I118 E119	N79-T81 WeakPolarHBondContact OD1-CA 3.28Å; N79-T81 WeakPolarHBondContact OD1-CB 3.32Å; N79-T81 PolarHBondContact OD1-N 2.83Å; N79-T81 PolarHBondContact OD1-O 2.92Å; N79-T81 VanDerWaalsContact OD1-O 3.06Å; N79-T81 PolarHBondContact OD1-OG1 2.83Å; T81-I118 CarbonylContact C-O 3.58Å; T81-I118 WeakPolarHBondContact CA-O 3.32Å; T81-E119 HydrophobicContact CG2-CG 4.38Å
82	I	88.5	Confident	86	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	117.4	175.9	-59.8	162.4	0	0	0	108.7	F71 F74 D75 E86 L87 T117 I118 F123	F71-I82 HydrophobicContact CD2-CD1 3.47Å; F71-I82 VanDerWaalsContact CD2-CD1 3.47Å; F71-I82 HydrophobicContact CD2-CG1 4.12Å; F71-I82 HydrophobicContact CE2-CD1 3.41Å; F71-I82 VanDerWaalsContact CE2-CD1 3.41Å; F71-I82 HydrophobicContact CE2-CG1 3.65Å; F71-I82 HydrophobicContact CG-CD1 4.28Å; F71-I82 HydrophobicContact CZ-CD1 4.16Å; F71-I82 HydrophobicContact CZ-CG1 3.9Å; F74-I82 HydrophobicContact CB-CD1 3.46Å; F74-I82 VanDerWaalsContact CB-CD1 3.46Å; F74-I82 HydrophobicContact CB-CG1 3.77Å; F74-I82 HydrophobicContact CB-CG2 4.14Å; F74-I82 HydrophobicContact CG-CD1 4.1Å; D75-I82 HydrophobicContact CB-CG1 4.35Å; I82-E86 HydrophobicContact CG2-CB 3.91Å; I82-L87 HydrophobicContact CG2-CB 4.01Å; I82-T117 WeakPolarHBondContact O-CA 3.49Å; I82-I118 HydrophobicContact CB-CB 4.22Å; I82-I118 PolarHBondContact N-O 2.76Å; I82-I118 PolarHBondContact O-N 3.44Å; I82-F123 HydrophobicContact CD1-CD2 3.45Å; I82-F123 VanDerWaalsContact CD1-CD2 3.45Å; I82-F123 HydrophobicContact CD1-CE2 3.81Å; I82-F123 HydrophobicContact CD1-CG 4.22Å
83	T	90.9	Very high	85.5	Confident	41 Å²	41	57.8 Å²	57.8	25%	0.252	32%	0.318	S	S	.	.			trans	-78.2	161.9	174	62.3	0	0	0	0	112.2	K85 E86 L87 T117	T83-K85 PolarHBondContact O-N 3.06Å; T83-K85 VanDerWaalsContact O-N 3.11Å; T83-E86 WeakPolarHBondContact CB-OE2 3.27Å; T83-E86 WeakPolarHBondContact CG2-OE2 3.17Å; T83-E86 PolarHBondContact N-OE2 3.01Å; T83-E86 PolarHBondContact O-N 3.17Å; T83-E86 VanDerWaalsContact O-N 3.07Å; T83-E86 WeakPolarHBondContact OG1-CG 3.22Å; T83-E86 PolarHBondContact OG1-N 3.41Å; T83-E86 PolarHBondContact OG1-OE2 2.82Å; T83-L87 PolarHBondContact O-N 3.37Å; T83-T117 HydrophobicContact CG2-CG2 4.08Å
84	T	90.2	Very high	84.9	Confident	41 Å²	41	58.2 Å²	58.2	25%	0.252	32%	0.32	S	S	.	.	H	α-helix	trans	-48.7	-39.1	170.8	50.4	0	0	0	0	112.8	G88 M104 I107	T84-G88 PolarHBondContact O-N 2.99Å; T84-M104 HydrophobicContact CG2-CG 4.19Å; T84-I107 HydrophobicContact CG2-CD1 3.52Å; T84-I107 HydrophobicContact CG2-CG1 4.48Å
85	K	90.4	Very high	84.4	Confident	163 Å²	163	60 Å²	60	71%	0.709	35%	0.347	S	S	*	.	H	α-helix	trans	-68.5	-45.1	-179.9	-68.5	-179.8	-179.1	174.4	0	111.8	T83 G88 I89	T83-K85 PolarHBondContact O-N 3.06Å; T83-K85 VanDerWaalsContact O-N 3.11Å; K85-G88 PolarHBondContact O-N 3.35Å; K85-I89 WeakPolarHBondContact O-CG1 3.21Å; K85-I89 PolarHBondContact O-N 3.4Å
86	E	90.2	Very high	83.8	Confident	13 Å²	13	64.9 Å²	64.9	6%	0.061	37%	0.369	C	S	.	.	H	α-helix	trans	-65.1	-44.6	178.7	-76.9	167.6	132.6	0	0	111.8	F74 K76 D77 I82 T83 G88 I89 A90	F74-E86 WeakPolarHBondContact O-CB 3.48Å; K76-E86 HydrophobicContact CB-CG 4.37Å; K76-E86 HydrophobicContact CG-CG 4.34Å; K76-E86 PolarHBondContact N-OE1 3.37Å; D77-E86 PolarHBondContact N-OE1 3.07Å; I82-E86 HydrophobicContact CG2-CB 3.91Å; T83-E86 WeakPolarHBondContact CB-OE2 3.27Å; T83-E86 WeakPolarHBondContact CG2-OE2 3.17Å; T83-E86 PolarHBondContact N-OE2 3.01Å; T83-E86 PolarHBondContact O-N 3.17Å; T83-E86 VanDerWaalsContact O-N 3.07Å; T83-E86 WeakPolarHBondContact OG1-CG 3.22Å; T83-E86 PolarHBondContact OG1-N 3.41Å; T83-E86 PolarHBondContact OG1-OE2 2.82Å; E86-G88 VanDerWaalsContact C-N 3.29Å; E86-G88 PolarHBondContact O-N 3.48Å; E86-I89 PolarHBondContact O-N 2.76Å; E86-A90 PolarHBondContact O-N 3.18Å
87	L	86.4	Confident	83.8	Confident	3 Å²	3	64.9 Å²	64.9	2%	0.016	38%	0.375	C	S	.	.	H	α-helix	trans	-56.2	-46.3	172.1	-176.1	62	0	0	0	110.8	F74 I82 T83 I89 A90 M91 L103 M106 I107 I118	F74-L87 HydrophobicContact CD1-CD1 4.23Å; F74-L87 HydrophobicContact CE1-CD1 4.22Å; I82-L87 HydrophobicContact CG2-CB 4.01Å; T83-L87 PolarHBondContact O-N 3.37Å; L87-I89 PolarHBondContact O-N 2.79Å; L87-A90 PolarHBondContact O-N 3.43Å; L87-M91 HydrophobicContact CD1-CG 4.35Å; L87-M91 WeakPolarHBondContact O-CG 3.21Å; L87-M91 PolarHBondContact O-N 3.01Å; L87-L103 HydrophobicContact CB-CD2 4.27Å; L87-L103 HydrophobicContact CD2-CD2 3.93Å; L87-L103 HydrophobicContact CG-CD2 3.78Å; L87-M106 HydrophobicContact CD2-CB 4.23Å; L87-I107 HydrophobicContact CD2-CD1 4.43Å; L87-I107 HydrophobicContact CD2-CG1 3.9Å; L87-I118 HydrophobicContact CD2-CD1 4.29Å
88	G	86.2	Confident	83.6	Confident	3 Å²	3	60.3 Å²	60.3	3%	0.031	35%	0.351	C	S	.	.	H	α-helix	trans	-62.1	-38.8	177.7	0	0	0	0	0	114.2	T84 K85 E86 R92	T84-G88 PolarHBondContact O-N 2.99Å; K85-G88 PolarHBondContact O-N 3.35Å; E86-G88 VanDerWaalsContact C-N 3.29Å; E86-G88 PolarHBondContact O-N 3.48Å; G88-R92 WeakPolarHBondContact O-CB 3.45Å; G88-R92 VanDerWaalsContact O-CG 3.27Å; G88-R92 WeakPolarHBondContact O-CG 3.25Å; G88-R92 PolarHBondContact O-N 3.28Å; G88-R92 VanDerWaalsContact O-N 3.13Å
89	I	86.4	Confident	83.8	Confident	89 Å²	89	61.2 Å²	61.2	46%	0.456	35%	0.346	S	S	.	.	H	α-helix	trans	-65	-44.3	175.4	-70.2	164.1	0	0	0	110.2	K85 E86 L87 R92 S93	K85-I89 WeakPolarHBondContact O-CG1 3.21Å; K85-I89 PolarHBondContact O-N 3.4Å; E86-I89 PolarHBondContact O-N 2.76Å; L87-I89 PolarHBondContact O-N 2.79Å; I89-R92 PolarHBondContact O-N 2.96Å; I89-S93 WeakPolarHBondContact O-CB 3.26Å; I89-S93 PolarHBondContact O-N 3.49Å; I89-S93 PolarHBondContact O-OG 2.86Å
90	A	80	Confident	83.8	Confident	10 Å²	10	63.7 Å²	63.7	8%	0.083	36%	0.355	C	S	.	.	H	α-helix	trans	-68.7	-44.7	-178.1	0	0	0	0	0	112.3	F74 E86 L87 R92 S93 L94	F74-A90 HydrophobicContact CD1-CB 3.04Å; F74-A90 HydrophobicContact CE1-CB 3.13Å; F74-A90 HydrophobicContact CG-CB 3.9Å; F74-A90 HydrophobicContact CZ-CB 4.04Å; E86-A90 PolarHBondContact O-N 3.18Å; L87-A90 PolarHBondContact O-N 3.43Å; A90-R92 VanDerWaalsContact C-N 3.29Å; A90-R92 PolarHBondContact O-N 3.32Å; A90-S93 WeakPolarHBondContact O-CA 3.36Å; A90-S93 WeakPolarHBondContact O-CB 3.45Å; A90-S93 PolarHBondContact O-N 3.24Å; A90-L94 WeakPolarHBondContact O-CG 3.45Å; A90-L94 PolarHBondContact O-N 3.38Å
91	M	78	Confident	83.9	Confident	34 Å²	34	67.4 Å²	67.4	17%	0.167	36%	0.362	C	S	.	.	H	α-helix	trans	-59.5	-40.8	174.7	-70.8	-156	86.2	0	0	112.1	L87 S93 L94 G95 Q96 P98 L103 M106	L87-M91 HydrophobicContact CD1-CG 4.35Å; L87-M91 WeakPolarHBondContact O-CG 3.21Å; L87-M91 PolarHBondContact O-N 3.01Å; M91-S93 VanDerWaalsContact C-N 3.3Å; M91-S93 PolarHBondContact O-N 2.71Å; M91-L94 CarbonylContact O-C 3.57Å; M91-L94 PolarHBondContact O-N 3.27Å; M91-L94 VanDerWaalsContact O-N 3.15Å; M91-G95 PolarHBondContact O-N 3.4Å; M91-Q96 HydrophobicContact CB-CB 4.27Å; M91-Q96 HydrophobicContact CE-CB 4.2Å; M91-Q96 HydrophobicContact CE-CG 4.27Å; M91-Q96 WeakPolarHBondContact O-CB 3.36Å; M91-Q96 PolarHBondContact O-N 3.44Å; M91-P98 HydrophobicContact CB-CG 3.77Å; M91-P98 HydrophobicContact CG-CG 4.35Å; M91-P98 HydrophobicContact SD-CB 4.22Å; M91-P98 HydrophobicContact SD-CG 3.8Å; M91-L103 HydrophobicContact SD-CD2 4.03Å; M91-M106 HydrophobicContact CE-CE 3.95Å; M91-M106 HydrophobicContact CE-SD 4.19Å; M91-M106 HydrophobicContact SD-CE 3.64Å; M91-M106 HydrophobicContact SD-SD 3.58Å
92	R	82.1	Confident	83.6	Confident	118 Å²	118	70.5 Å²	70.5	45%	0.445	37%	0.374	S	S	.	.	H	α-helix	trans	-63.8	-34.6	172.6	-71.9	-176	-126.4	-81.3	-5.2	113.4	G88 I89 A90 L94 G95 Q96 N97 P98	G88-R92 WeakPolarHBondContact O-CB 3.45Å; G88-R92 VanDerWaalsContact O-CG 3.27Å; G88-R92 WeakPolarHBondContact O-CG 3.25Å; G88-R92 PolarHBondContact O-N 3.28Å; G88-R92 VanDerWaalsContact O-N 3.13Å; I89-R92 PolarHBondContact O-N 2.96Å; A90-R92 VanDerWaalsContact C-N 3.29Å; A90-R92 PolarHBondContact O-N 3.32Å; R92-L94 VanDerWaalsContact C-N 3.26Å; R92-L94 PolarHBondContact O-N 3.02Å; R92-G95 PolarHBondContact O-N 2.84Å; R92-G95 VanDerWaalsContact O-N 3.16Å; R92-Q96 WeakPolarHBondContact CA-O 3.28Å; R92-N97 PolarHBondContact NH1-OD1 2.79Å; R92-P98 PolarHBondContact NH1-O 3.07Å; R92-P98 PolarHBondContact NH2-O 2.94Å
93	S	72.5	Confident	83.5	Confident	93 Å²	93	70.9 Å²	70.9	65%	0.65	38%	0.376	S	S	*	.	H	α-helix	trans	-68.5	-27.1	174.9	-55.8	0	0	0	0	112.4	I89 A90 M91 G95	I89-S93 WeakPolarHBondContact O-CB 3.26Å; I89-S93 PolarHBondContact O-N 3.49Å; I89-S93 PolarHBondContact O-OG 2.86Å; A90-S93 WeakPolarHBondContact O-CA 3.36Å; A90-S93 WeakPolarHBondContact O-CB 3.45Å; A90-S93 PolarHBondContact O-N 3.24Å; M91-S93 VanDerWaalsContact C-N 3.3Å; M91-S93 PolarHBondContact O-N 2.71Å; S93-G95 VanDerWaalsContact C-N 3.27Å
94	L	66.7	Low	83.3	Confident	128 Å²	128	72.1 Å²	72.1	67%	0.67	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	7.2	173.6	-64	173	0	0	0	113.5	A90 M91 R92 Q96	A90-L94 WeakPolarHBondContact O-CG 3.45Å; A90-L94 PolarHBondContact O-N 3.38Å; M91-L94 CarbonylContact O-C 3.57Å; M91-L94 PolarHBondContact O-N 3.27Å; M91-L94 VanDerWaalsContact O-N 3.15Å; R92-L94 VanDerWaalsContact C-N 3.26Å; R92-L94 PolarHBondContact O-N 3.02Å; L94-Q96 VanDerWaalsContact C-N 3.34Å
95	G	73.4	Confident	83.1	Confident	67 Å²	67	73.5 Å²	73.5	69%	0.691	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	4	178.8	0	0	0	0	0	115.2	M91 R92 S93	M91-G95 PolarHBondContact O-N 3.4Å; R92-G95 PolarHBondContact O-N 2.84Å; R92-G95 VanDerWaalsContact O-N 3.16Å; S93-G95 VanDerWaalsContact C-N 3.27Å
96	Q	75.7	Confident	82.7	Confident	117 Å²	117	68.1 Å²	68.1	55%	0.547	36%	0.364	S	S	.	.			trans	-84.9	156	172.7	-58.4	-59.6	-39.2	0	0	110.4	M91 R92 L94	M91-Q96 HydrophobicContact CB-CB 4.27Å; M91-Q96 HydrophobicContact CE-CB 4.2Å; M91-Q96 HydrophobicContact CE-CG 4.27Å; M91-Q96 WeakPolarHBondContact O-CB 3.36Å; M91-Q96 PolarHBondContact O-N 3.44Å; R92-Q96 WeakPolarHBondContact CA-O 3.28Å; L94-Q96 VanDerWaalsContact C-N 3.34Å
97	N	81.4	Confident	82.4	Confident	127 Å²	127	67.6 Å²	67.6	68%	0.679	36%	0.362	S	S	*	.			trans	-131.5	67.6	176.9	-169.5	45.4	0	0	0	112	R92	R92-N97 PolarHBondContact NH1-OD1 2.79Å
98	P	82.9	Confident	82.3	Confident	12 Å²	12	72.5 Å²	72.5	8%	0.078	39%	0.388	C	S	.	.			trans	-68.6	146.2	-177.5	31.9	-37.9	0	0	0	111.3	M91 R92 E102 L103	M91-P98 HydrophobicContact CB-CG 3.77Å; M91-P98 HydrophobicContact CG-CG 4.35Å; M91-P98 HydrophobicContact SD-CB 4.22Å; M91-P98 HydrophobicContact SD-CG 3.8Å; R92-P98 PolarHBondContact NH1-O 3.07Å; R92-P98 PolarHBondContact NH2-O 2.94Å; P98-E102 WeakPolarHBondContact CA-OE2 3.3Å; P98-E102 HydrophobicContact CB-CB 4.3Å; P98-L103 HydrophobicContact CB-CD2 4Å; P98-L103 HydrophobicContact CB-CG 4Å; P98-L103 HydrophobicContact CG-CD1 4.28Å; P98-L103 HydrophobicContact CG-CD2 3.64Å; P98-L103 HydrophobicContact CG-CG 3.95Å
99	T	90.1	Very high	82.1	Confident	76 Å²	76	78.9 Å²	78.9	47%	0.466	42%	0.417	S	S	.	.			trans	-72.3	161.1	167	64.1	0	0	0	0	110.4	Q101 E102 L103	T99-Q101 PolarHBondContact O-N 3.27Å; T99-E102 WeakPolarHBondContact CB-OE2 3.41Å; T99-E102 WeakPolarHBondContact CG2-OE2 3.49Å; T99-E102 PolarHBondContact N-OE2 2.95Å; T99-E102 PolarHBondContact O-N 3.25Å; T99-E102 VanDerWaalsContact OG1-CD 3.31Å; T99-E102 VanDerWaalsContact OG1-CG 3.26Å; T99-E102 WeakPolarHBondContact OG1-CG 3.48Å; T99-E102 PolarHBondContact OG1-N 3.29Å; T99-E102 PolarHBondContact OG1-OE2 3.08Å; T99-L103 WeakPolarHBondContact O-CG 3.48Å; T99-L103 PolarHBondContact O-N 3.36Å; T99-L103 VanDerWaalsContact O-N 3.08Å
100	E	90	Very high	81.8	Confident	135 Å²	135	74.9 Å²	74.9	63%	0.631	40%	0.397	S	S	*	.	H	α-helix	trans	-61.7	-34.7	176.2	-175.6	170.6	-167.9	0	0	112	L103 M104	E100-L103 PolarHBondContact O-N 3.24Å; E100-M104 HydrophobicContact CG-CE 3.74Å; E100-M104 WeakPolarHBondContact O-CG 3.04Å; E100-M104 PolarHBondContact O-N 2.96Å
101	Q	89.5	Confident	82.1	Confident	113 Å²	113	75.3 Å²	75.3	53%	0.528	40%	0.398	S	S	.	.	H	α-helix	trans	-65.9	-45.7	176.3	-172.2	61.4	48.9	0	0	111.5	T99 L103 M104 D105	T99-Q101 PolarHBondContact O-N 3.27Å; Q101-L103 VanDerWaalsContact C-N 3.3Å; Q101-L103 PolarHBondContact O-N 3.38Å; Q101-M104 PolarHBondContact O-N 3.1Å; Q101-D105 PolarHBondContact NE2-OD1 3.04Å; Q101-D105 WeakPolarHBondContact O-CB 3.5Å; Q101-D105 PolarHBondContact O-N 2.93Å
102	E	84.7	Confident	82.1	Confident	97 Å²	97	77.6 Å²	77.6	45%	0.453	41%	0.41	S	S	.	.	H	α-helix	trans	-60.4	-40.6	176.5	-73.5	162.6	140.8	0	0	111.5	P98 T99 D105 M106	P98-E102 WeakPolarHBondContact CA-OE2 3.3Å; P98-E102 HydrophobicContact CB-CB 4.3Å; T99-E102 WeakPolarHBondContact CB-OE2 3.41Å; T99-E102 WeakPolarHBondContact CG2-OE2 3.49Å; T99-E102 PolarHBondContact N-OE2 2.95Å; T99-E102 PolarHBondContact O-N 3.25Å; T99-E102 VanDerWaalsContact OG1-CD 3.31Å; T99-E102 VanDerWaalsContact OG1-CG 3.26Å; T99-E102 WeakPolarHBondContact OG1-CG 3.48Å; T99-E102 PolarHBondContact OG1-N 3.29Å; T99-E102 PolarHBondContact OG1-OE2 3.08Å; E102-D105 PolarHBondContact O-N 2.84Å; E102-M106 WeakPolarHBondContact O-CB 3.05Å; E102-M106 WeakPolarHBondContact O-CG 3.41Å; E102-M106 PolarHBondContact O-N 2.77Å
103	L	85.8	Confident	82.1	Confident	8 Å²	8	75.7 Å²	75.7	4%	0.042	41%	0.408	C	S	.	.	H	α-helix	trans	-63.6	-42.1	175.7	-68.2	170.3	0	0	0	112.2	L87 M91 P98 T99 E100 Q101 M106 I107	L87-L103 HydrophobicContact CB-CD2 4.27Å; L87-L103 HydrophobicContact CD2-CD2 3.93Å; L87-L103 HydrophobicContact CG-CD2 3.78Å; M91-L103 HydrophobicContact SD-CD2 4.03Å; P98-L103 HydrophobicContact CB-CD2 4Å; P98-L103 HydrophobicContact CB-CG 4Å; P98-L103 HydrophobicContact CG-CD1 4.28Å; P98-L103 HydrophobicContact CG-CD2 3.64Å; P98-L103 HydrophobicContact CG-CG 3.95Å; T99-L103 WeakPolarHBondContact O-CG 3.48Å; T99-L103 PolarHBondContact O-N 3.36Å; T99-L103 VanDerWaalsContact O-N 3.08Å; E100-L103 PolarHBondContact O-N 3.24Å; Q101-L103 VanDerWaalsContact C-N 3.3Å; Q101-L103 PolarHBondContact O-N 3.38Å; L103-M106 PolarHBondContact O-N 3.29Å; L103-I107 WeakPolarHBondContact O-CG1 3.27Å; L103-I107 PolarHBondContact O-N 2.81Å
104	M	87	Confident	82.7	Confident	68 Å²	68	74 Å²	74	34%	0.335	41%	0.406	S	S	.	.	H	α-helix	trans	-64.5	-43	175.9	-73.7	178.6	-176.5	0	0	111.3	T84 E100 Q101 I107 N108	T84-M104 HydrophobicContact CG2-CG 4.19Å; E100-M104 HydrophobicContact CG-CE 3.74Å; E100-M104 WeakPolarHBondContact O-CG 3.04Å; E100-M104 PolarHBondContact O-N 2.96Å; Q101-M104 PolarHBondContact O-N 3.1Å; M104-I107 PolarHBondContact O-N 2.71Å; M104-N108 WeakPolarHBondContact O-CB 3.24Å; M104-N108 PolarHBondContact O-N 2.8Å; M104-N108 PolarHBondContact O-ND2 3.24Å
105	D	85.3	Confident	83.7	Confident	70 Å²	70	70.5 Å²	70.5	37%	0.374	39%	0.392	S	S	.	.	H	α-helix	trans	-62.2	-45	178.5	-65.6	-19.8	0	0	0	110.4	Q101 E102 I107 N108 E109	Q101-D105 PolarHBondContact NE2-OD1 3.04Å; Q101-D105 WeakPolarHBondContact O-CB 3.5Å; Q101-D105 PolarHBondContact O-N 2.93Å; E102-D105 PolarHBondContact O-N 2.84Å; D105-I107 PolarHBondContact O-N 3.09Å; D105-N108 PolarHBondContact O-N 3.39Å; D105-E109 WeakPolarHBondContact O-CG 3.22Å; D105-E109 PolarHBondContact O-N 3Å
106	M	81.6	Confident	84.2	Confident	50 Å²	50	69 Å²	69	25%	0.246	38%	0.377	C	S	.	.	H	α-helix	trans	-58.4	-43	174.5	-71.8	175.1	74.5	0	0	112.9	L87 M91 E102 L103	L87-M106 HydrophobicContact CD2-CB 4.23Å; M91-M106 HydrophobicContact CE-CE 3.95Å; M91-M106 HydrophobicContact CE-SD 4.19Å; M91-M106 HydrophobicContact SD-CE 3.64Å; M91-M106 HydrophobicContact SD-SD 3.58Å; E102-M106 WeakPolarHBondContact O-CB 3.05Å; E102-M106 WeakPolarHBondContact O-CG 3.41Å; E102-M106 PolarHBondContact O-N 2.77Å; L103-M106 PolarHBondContact O-N 3.29Å
107	I	84.7	Confident	84.9	Confident	2 Å²	2	64.8 Å²	64.8	1%	0.01	36%	0.359	C	S	.	.	H	α-helix	trans	-65.3	-49.8	175.8	-69.3	-166.8	0	0	0	110.2	T84 L87 L103 M104 D105 E109 V110 D111 I118	T84-I107 HydrophobicContact CG2-CD1 3.52Å; T84-I107 HydrophobicContact CG2-CG1 4.48Å; L87-I107 HydrophobicContact CD2-CD1 4.43Å; L87-I107 HydrophobicContact CD2-CG1 3.9Å; L103-I107 WeakPolarHBondContact O-CG1 3.27Å; L103-I107 PolarHBondContact O-N 2.81Å; M104-I107 PolarHBondContact O-N 2.71Å; D105-I107 PolarHBondContact O-N 3.09Å; I107-E109 PolarHBondContact O-N 3.49Å; I107-E109 VanDerWaalsContact O-N 3.08Å; I107-V110 WeakPolarHBondContact O-CG2 3.3Å; I107-V110 PolarHBondContact O-N 2.85Å; I107-D111 HydrophobicContact CG2-CB 3.91Å; I107-D111 WeakPolarHBondContact O-CB 3.23Å; I107-D111 PolarHBondContact O-N 3.39Å; I107-I118 HydrophobicContact CB-CG1 4.46Å; I107-I118 HydrophobicContact CD1-CG1 4.31Å; I107-I118 HydrophobicContact CG1-CD1 3.94Å; I107-I118 HydrophobicContact CG1-CG1 3.91Å; I107-I118 HydrophobicContact CG2-CG1 4.33Å
108	N	84.9	Confident	85.1	Confident	106 Å²	106	58.8 Å²	58.8	57%	0.567	33%	0.327	S	S	*	.	H	α-helix	trans	-60.5	-23.2	-177.7	-69.2	-35.6	0	0	0	113.5	M104 D105 V110	M104-N108 WeakPolarHBondContact O-CB 3.24Å; M104-N108 PolarHBondContact O-N 2.8Å; M104-N108 PolarHBondContact O-ND2 3.24Å; D105-N108 PolarHBondContact O-N 3.39Å; N108-V110 VanDerWaalsContact C-N 3.33Å
109	E	81.9	Confident	85.5	Confident	137 Å²	137	62.2 Å²	62.2	64%	0.64	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-21.6	176.1	-78.7	-176.4	-177.5	0	0	114.4	D105 I107 R129	D105-E109 WeakPolarHBondContact O-CG 3.22Å; D105-E109 PolarHBondContact O-N 3Å; I107-E109 PolarHBondContact O-N 3.49Å; I107-E109 VanDerWaalsContact O-N 3.08Å; E109-R129 PolarHBondContact O-NH1 3.38Å
110	V	79	Confident	85.3	Confident	5 Å²	5	61 Å²	61	3%	0.03	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.5	-17.6	-175.9	-57.6	0	0	0	0	113.7	I107 N108 I112 I118 E122 M126	I107-V110 WeakPolarHBondContact O-CG2 3.3Å; I107-V110 PolarHBondContact O-N 2.85Å; N108-V110 VanDerWaalsContact C-N 3.33Å; V110-I112 WeakPolarHBondContact O-CG1 3.46Å; V110-I112 PolarHBondContact O-N 3.17Å; V110-I118 HydrophobicContact CG2-CD1 3.89Å; V110-I118 HydrophobicContact CG2-CG1 3.87Å; V110-I118 HydrophobicContact CG2-CG2 4.18Å; V110-E122 HydrophobicContact CB-CB 4.5Å; V110-E122 WeakPolarHBondContact O-CB 3.17Å; V110-E122 WeakPolarHBondContact O-CG 3.44Å; V110-M126 HydrophobicContact CG1-CB 3.95Å; V110-M126 HydrophobicContact CG1-CG 4.17Å
111	D	86.3	Confident	85	Confident	18 Å²	18	56.8 Å²	56.8	10%	0.096	32%	0.318	C	S	.	.			trans	-72.6	86.6	174.8	179.5	14.2	0	0	0	109.8	I107 D113 G114 S115 G116 E122	I107-D111 HydrophobicContact CG2-CB 3.91Å; I107-D111 WeakPolarHBondContact O-CB 3.23Å; I107-D111 PolarHBondContact O-N 3.39Å; D111-D113 VanDerWaalsContact C-N 3.34Å; D111-G114 VanDerWaalsContact CG-CA 3.5Å; D111-G114 WeakPolarHBondContact OD1-CA 3.46Å; D111-G114 PolarHBondContact OD1-N 2.93Å; D111-G114 VanDerWaalsContact OD2-C 3.28Å; D111-G114 VanDerWaalsContact OD2-CA 3.28Å; D111-G114 WeakPolarHBondContact OD2-CA 3.48Å; D111-S115 PolarHBondContact OD1-N 3.48Å; D111-S115 PolarHBondContact OD1-OG 3.14Å; D111-S115 PolarHBondContact OD2-N 2.75Å; D111-G116 VanDerWaalsContact OD2-CA 3.3Å; D111-G116 WeakPolarHBondContact OD2-CA 3.5Å; D111-G116 PolarHBondContact OD2-N 3.47Å; D111-E122 WeakPolarHBondContact CA-OE1 3.07Å
112	I	77.9	Confident	84.9	Confident	83 Å²	83	51.9 Å²	51.9	43%	0.426	30%	0.295	S	S	.	.	S	Bend	trans	-73.6	-34	-175.4	-63.5	169.9	0	0	0	109.8	P53 V110 E122	P53-I112 HydrophobicContact CG-CD1 4.26Å; V110-I112 WeakPolarHBondContact O-CG1 3.46Å; V110-I112 PolarHBondContact O-N 3.17Å; I112-E122 PolarHBondContact N-OE1 3.26Å
113	D	83.4	Confident	84.9	Confident	78 Å²	78	47.3 Å²	47.3	42%	0.417	27%	0.274	S	S	.	.	S	Bend	trans	-88.8	-13.8	-176	86.3	-29.8	0	0	0	113.3	D111 S115	D111-D113 VanDerWaalsContact C-N 3.34Å; D113-S115 WeakPolarHBondContact OD1-CB 3.38Å; D113-S115 PolarHBondContact OD1-N 2.94Å; D113-S115 PolarHBondContact OD1-OG 2.66Å
114	G	84.5	Confident	84.8	Confident	58 Å²	58	47 Å²	47	60%	0.598	27%	0.273	S	S	*	.			trans	75.7	26.5	179.5	0	0	0	0	0	112.4	D111 G116	D111-G114 VanDerWaalsContact CG-CA 3.5Å; D111-G114 WeakPolarHBondContact OD1-CA 3.46Å; D111-G114 PolarHBondContact OD1-N 2.93Å; D111-G114 VanDerWaalsContact OD2-C 3.28Å; D111-G114 VanDerWaalsContact OD2-CA 3.28Å; D111-G114 WeakPolarHBondContact OD2-CA 3.48Å; G114-G116 PolarHBondContact O-N 3.06Å
115	S	87.2	Confident	84.4	Confident	54 Å²	54	44.6 Å²	44.6	38%	0.378	26%	0.26	S	S	.	.			trans	-67.4	-21.9	178.4	62.3	0	0	0	0	112.9	D111 D113 T117	D111-S115 PolarHBondContact OD1-N 3.48Å; D111-S115 PolarHBondContact OD1-OG 3.14Å; D111-S115 PolarHBondContact OD2-N 2.75Å; D113-S115 WeakPolarHBondContact OD1-CB 3.38Å; D113-S115 PolarHBondContact OD1-N 2.94Å; D113-S115 PolarHBondContact OD1-OG 2.66Å; S115-T117 VanDerWaalsContact C-N 3.26Å; S115-T117 PolarHBondContact OG-N 3.22Å; S115-T117 PolarHBondContact OG-O 2.61Å; S115-T117 VanDerWaalsContact OG-O 3.04Å; S115-T117 PolarHBondContact OG-OG1 2.96Å
116	G	85.6	Confident	84.1	Confident	36 Å²	36	42 Å²	42	37%	0.371	25%	0.247	S	C	.	.	S	Bend	trans	78	11.5	-170.5	0	0	0	0	0	113.3	D111 G114	D111-G116 VanDerWaalsContact OD2-CA 3.3Å; D111-G116 WeakPolarHBondContact OD2-CA 3.5Å; D111-G116 PolarHBondContact OD2-N 3.47Å; G114-G116 PolarHBondContact O-N 3.06Å
117	T	88.4	Confident	83.8	Confident	28 Å²	28	41.4 Å²	41.4	17%	0.172	24%	0.244	C	C	.	.	S	Bend	trans	-134	159.8	178.3	55.7	0	0	0	0	109.9	I82 T83 S115	I82-T117 WeakPolarHBondContact O-CA 3.49Å; T83-T117 HydrophobicContact CG2-CG2 4.08Å; S115-T117 VanDerWaalsContact C-N 3.26Å; S115-T117 PolarHBondContact OG-N 3.22Å; S115-T117 PolarHBondContact OG-O 2.61Å; S115-T117 VanDerWaalsContact OG-O 3.04Å; S115-T117 PolarHBondContact OG-OG1 2.96Å
118	I	87.2	Confident	83.2	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	114	175.4	-52.6	176.8	0	0	0	108.9	T81 I82 L87 I107 V110 E122 F123 M126	T81-I118 CarbonylContact C-O 3.58Å; T81-I118 WeakPolarHBondContact CA-O 3.32Å; I82-I118 HydrophobicContact CB-CB 4.22Å; I82-I118 PolarHBondContact N-O 2.76Å; I82-I118 PolarHBondContact O-N 3.44Å; L87-I118 HydrophobicContact CD2-CD1 4.29Å; I107-I118 HydrophobicContact CB-CG1 4.46Å; I107-I118 HydrophobicContact CD1-CG1 4.31Å; I107-I118 HydrophobicContact CG1-CD1 3.94Å; I107-I118 HydrophobicContact CG1-CG1 3.91Å; I107-I118 HydrophobicContact CG2-CG1 4.33Å; V110-I118 HydrophobicContact CG2-CD1 3.89Å; V110-I118 HydrophobicContact CG2-CG1 3.87Å; V110-I118 HydrophobicContact CG2-CG2 4.18Å; I118-E122 HydrophobicContact CG2-CB 3.76Å; I118-F123 HydrophobicContact CG2-CB 3.78Å; I118-F123 VanDerWaalsContact CG2-N 3.32Å; I118-M126 HydrophobicContact CD1-SD 4.04Å
119	E	90	Very high	82.5	Confident	84 Å²	84	42.3 Å²	42.3	39%	0.393	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	161.8	169.7	-61.1	-171.5	161.7	0	0	111.3	T81 A121 E122 F123	T81-E119 HydrophobicContact CG2-CG 4.38Å; E119-A121 PolarHBondContact O-N 3.18Å; E119-A121 VanDerWaalsContact O-N 3.14Å; E119-E122 HydrophobicContact CB-CG 4.44Å; E119-E122 PolarHBondContact N-OE2 2.98Å; E119-E122 WeakPolarHBondContact O-CB 3.33Å; E119-E122 PolarHBondContact O-N 2.95Å; E119-F123 PolarHBondContact O-N 3.46Å
120	F	86	Confident	81.7	Confident	52 Å²	52	39.4 Å²	39.4	23%	0.228	23%	0.227	C	C	.	.	H	α-helix	trans	-54.6	-38.1	-178.7	-179.1	-113.9	0	0	0	113.8	L64 R68 F71 E122 F123 C124	L64-F120 HydrophobicContact CD1-CE1 3.83Å; L64-F120 HydrophobicContact CD1-CZ 3.83Å; L64-F120 HydrophobicContact CG-CZ 4.4Å; R68-F120 HydrophobicContact CB-CE2 3.91Å; R68-F120 HydrophobicContact CB-CZ 3.86Å; F71-F120 HydrophobicContact CB-CD2 3.85Å; F71-F120 HydrophobicContact CB-CE2 4.09Å; F71-F120 HydrophobicContact CD1-CD2 4.29Å; F71-F120 HydrophobicContact CD2-CB 4.4Å; F71-F120 AromaticContact CD2-CD2 3.85Å; F71-F120 HydrophobicContact CD2-CD2 3.85Å; F71-F120 HydrophobicContact CE2-CB 4.22Å; F71-F120 HydrophobicContact CE2-CD2 4.49Å; F71-F120 AromaticContact CG-CD2 3.73Å; F71-F120 HydrophobicContact CG-CD2 3.73Å; F71-F120 HydrophobicContact CG-CE2 4.46Å; F71-F120 HydrophobicContact CZ-CB 4.37Å; F120-E122 VanDerWaalsContact C-N 3.35Å; F120-F123 PolarHBondContact O-N 3.46Å; F120-C124 VanDerWaalsContact CZ-SG 3.51Å; F120-C124 PolarHBondContact O-N 3.34Å; F120-C124 PolarHBondContact O-SG 3.47Å
121	A	85.1	Confident	81	Confident	46 Å²	46	42 Å²	42	38%	0.38	24%	0.241	S	C	.	.	H	α-helix	trans	-65.4	-39.1	178.1	0	0	0	0	0	112.3	E119 C124 Q125	E119-A121 PolarHBondContact O-N 3.18Å; E119-A121 VanDerWaalsContact O-N 3.14Å; A121-C124 PolarHBondContact O-N 3.45Å; A121-Q125 PolarHBondContact O-N 2.77Å; A121-Q125 VanDerWaalsContact O-N 3.17Å
122	E	86.2	Confident	80	Confident	10 Å²	10	46.6 Å²	46.6	5%	0.047	26%	0.26	C	S	.	.	H	α-helix	trans	-71.5	-38.5	177.3	-61	175.2	142.9	0	0	110.7	V110 D111 I112 I118 E119 F120 C124 Q125 M126	V110-E122 HydrophobicContact CB-CB 4.5Å; V110-E122 WeakPolarHBondContact O-CB 3.17Å; V110-E122 WeakPolarHBondContact O-CG 3.44Å; D111-E122 WeakPolarHBondContact CA-OE1 3.07Å; I112-E122 PolarHBondContact N-OE1 3.26Å; I118-E122 HydrophobicContact CG2-CB 3.76Å; E119-E122 HydrophobicContact CB-CG 4.44Å; E119-E122 PolarHBondContact N-OE2 2.98Å; E119-E122 WeakPolarHBondContact O-CB 3.33Å; E119-E122 PolarHBondContact O-N 2.95Å; F120-E122 VanDerWaalsContact C-N 3.35Å; E122-C124 PolarHBondContact O-N 2.83Å; E122-Q125 WeakPolarHBondContact O-CB 3.42Å; E122-Q125 PolarHBondContact O-N 3.47Å; E122-Q125 VanDerWaalsContact O-N 3.12Å; E122-M126 PolarHBondContact O-N 3.3Å
123	F	85.5	Confident	79.2	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.5	-43.4	173.2	-176.5	-95	0	0	0	111.9	Y67 A70 F71 F74 I82 I118 E119 F120 Q125 M126 M127	Y67-F123 WeakPolarHBondContact O-CE1 3.23Å; A70-F123 HydrophobicContact CB-CE1 4.03Å; A70-F123 HydrophobicContact CB-CZ 4.02Å; F71-F123 HydrophobicContact CB-CD1 4.02Å; F71-F123 HydrophobicContact CB-CE1 4.04Å; F71-F123 HydrophobicContact CD2-CB 3.6Å; F71-F123 AromaticContact CD2-CD1 3.84Å; F71-F123 HydrophobicContact CD2-CD1 3.84Å; F71-F123 HydrophobicContact CD2-CD2 4.02Å; F71-F123 AromaticContact CD2-CG 3.56Å; F71-F123 HydrophobicContact CD2-CG 3.56Å; F71-F123 HydrophobicContact CE2-CB 3.93Å; F71-F123 HydrophobicContact CE2-CG 4.29Å; F71-F123 HydrophobicContact CG-CD1 4.45Å; F74-F123 AromaticContact CD2-CE2 3.75Å; F74-F123 HydrophobicContact CD2-CE2 3.75Å; F74-F123 AromaticContact CD2-CZ 3.79Å; F74-F123 HydrophobicContact CD2-CZ 3.79Å; F74-F123 AromaticContact CE2-CE2 3.92Å; F74-F123 HydrophobicContact CE2-CE2 3.92Å; F74-F123 AromaticContact CE2-CZ 3.77Å; F74-F123 HydrophobicContact CE2-CZ 3.77Å; F74-F123 HydrophobicContact CG-CE2 4.21Å; F74-F123 HydrophobicContact CZ-CE2 4.45Å; I82-F123 HydrophobicContact CD1-CD2 3.45Å; I82-F123 VanDerWaalsContact CD1-CD2 3.45Å; I82-F123 HydrophobicContact CD1-CE2 3.81Å; I82-F123 HydrophobicContact CD1-CG 4.22Å; I118-F123 HydrophobicContact CG2-CB 3.78Å; I118-F123 VanDerWaalsContact CG2-N 3.32Å; E119-F123 PolarHBondContact O-N 3.46Å; F120-F123 PolarHBondContact O-N 3.46Å; F123-Q125 VanDerWaalsContact C-N 3.27Å; F123-Q125 PolarHBondContact O-N 3.37Å; F123-M126 HydrophobicContact CD2-CE 3.53Å; F123-M126 HydrophobicContact CE2-CE 3.55Å; F123-M126 HydrophobicContact CG-CE 4.47Å; F123-M126 HydrophobicContact CZ-CE 4.49Å; F123-M126 WeakPolarHBondContact O-CB 3.25Å; F123-M126 PolarHBondContact O-N 2.93Å; F123-M126 VanDerWaalsContact O-N 3.15Å; F123-M127 HydrophobicContact CD1-CG 3.81Å; F123-M127 HydrophobicContact CE1-CG 3.41Å; F123-M127 VanDerWaalsContact CE1-CG 3.41Å; F123-M127 HydrophobicContact CE1-SD 4.04Å; F123-M127 HydrophobicContact CE2-CG 4.39Å; F123-M127 HydrophobicContact CE2-SD 4.44Å; F123-M127 HydrophobicContact CG-CG 4.44Å; F123-M127 HydrophobicContact CZ-CG 3.73Å; F123-M127 HydrophobicContact CZ-SD 3.78Å; F123-M127 WeakPolarHBondContact O-CG 3.49Å; F123-M127 PolarHBondContact O-N 2.67Å
124	C	83.7	Confident	78.1	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.02	27%	0.272	C	S	.	.	H	α-helix	trans	-59.1	-39.9	173.4	-74.4	0	0	0	0	111.6	L56 I59 Y67 F120 A121 E122 K128	L56-C124 HydrophobicContact CD2-CB 4.1Å; I59-C124 HydrophobicContact CD1-CB 3.85Å; Y67-C124 HydrophobicContact CD2-CB 4.4Å; F120-C124 VanDerWaalsContact CZ-SG 3.51Å; F120-C124 PolarHBondContact O-N 3.34Å; F120-C124 PolarHBondContact O-SG 3.47Å; A121-C124 PolarHBondContact O-N 3.45Å; E122-C124 PolarHBondContact O-N 2.83Å; C124-K128 WeakPolarHBondContact O-CB 3.44Å; C124-K128 WeakPolarHBondContact O-CG 3.33Å; C124-K128 PolarHBondContact O-N 3.42Å
125	Q	78.2	Confident	77.5	Confident	16 Å²	16	50.2 Å²	50.2	8%	0.075	26%	0.262	C	S	.	.	H	α-helix	trans	-64.4	-44.1	174.3	-175.1	177.2	40	0	0	111.7	P53 L56 A121 E122 F123 K128 R129	P53-Q125 VanDerWaalsContact CG-NE2 3.35Å; L56-Q125 HydrophobicContact CD2-CB 4.45Å; A121-Q125 PolarHBondContact O-N 2.77Å; A121-Q125 VanDerWaalsContact O-N 3.17Å; E122-Q125 WeakPolarHBondContact O-CB 3.42Å; E122-Q125 PolarHBondContact O-N 3.47Å; E122-Q125 VanDerWaalsContact O-N 3.12Å; F123-Q125 VanDerWaalsContact C-N 3.27Å; F123-Q125 PolarHBondContact O-N 3.37Å; Q125-K128 PolarHBondContact O-N 2.83Å; Q125-R129 WeakPolarHBondContact O-CG 3.33Å; Q125-R129 PolarHBondContact O-N 3.14Å
126	M	78.4	Confident	76.7	Confident	17 Å²	17	49.3 Å²	49.3	8%	0.084	26%	0.256	C	S	.	.	H	α-helix	trans	-57.3	-51.9	176.4	-169.2	-176.5	69.9	0	0	111	V110 I118 E122 F123 K128 R129 M130	V110-M126 HydrophobicContact CG1-CB 3.95Å; V110-M126 HydrophobicContact CG1-CG 4.17Å; I118-M126 HydrophobicContact CD1-SD 4.04Å; E122-M126 PolarHBondContact O-N 3.3Å; F123-M126 HydrophobicContact CD2-CE 3.53Å; F123-M126 HydrophobicContact CE2-CE 3.55Å; F123-M126 HydrophobicContact CG-CE 4.47Å; F123-M126 HydrophobicContact CZ-CE 4.49Å; F123-M126 WeakPolarHBondContact O-CB 3.25Å; F123-M126 PolarHBondContact O-N 2.93Å; F123-M126 VanDerWaalsContact O-N 3.15Å; M126-K128 VanDerWaalsContact C-N 3.33Å; M126-K128 PolarHBondContact O-N 3.48Å; M126-R129 WeakPolarHBondContact O-CB 3.3Å; M126-R129 PolarHBondContact O-N 2.89Å; M126-R129 VanDerWaalsContact O-N 3.1Å; M126-M130 HydrophobicContact CG-SD 4.36Å; M126-M130 WeakPolarHBondContact O-CG 3.32Å; M126-M130 PolarHBondContact O-N 3.37Å
127	M	76.3	Confident	76.2	Confident	37 Å²	37	52.1 Å²	52.1	18%	0.182	26%	0.259	C	S	.	.	H	α-helix	trans	-60.9	-40.8	179.9	-69.9	-65.4	-74.4	0	0	111.9	Y67 A70 F123 R129 M130 N131	Y67-M127 HydrophobicContact CD1-CB 3.81Å; Y67-M127 HydrophobicContact CD1-CE 3.93Å; Y67-M127 HydrophobicContact CD1-CG 4.06Å; Y67-M127 HydrophobicContact CD2-CB 4.47Å; Y67-M127 HydrophobicContact CE1-CB 3.66Å; Y67-M127 HydrophobicContact CE1-CE 4.09Å; Y67-M127 HydrophobicContact CE1-CG 4.35Å; Y67-M127 HydrophobicContact CE2-CB 4.36Å; Y67-M127 HydrophobicContact CG-CB 4.23Å; Y67-M127 HydrophobicContact CG-CG 4.48Å; A70-M127 HydrophobicContact CB-CE 4.42Å; F123-M127 HydrophobicContact CD1-CG 3.81Å; F123-M127 HydrophobicContact CE1-CG 3.41Å; F123-M127 VanDerWaalsContact CE1-CG 3.41Å; F123-M127 HydrophobicContact CE1-SD 4.04Å; F123-M127 HydrophobicContact CE2-CG 4.39Å; F123-M127 HydrophobicContact CE2-SD 4.44Å; F123-M127 HydrophobicContact CG-CG 4.44Å; F123-M127 HydrophobicContact CZ-CG 3.73Å; F123-M127 HydrophobicContact CZ-SD 3.78Å; F123-M127 WeakPolarHBondContact O-CG 3.49Å; F123-M127 PolarHBondContact O-N 2.67Å; M127-R129 PolarHBondContact O-N 3.45Å; M127-M130 PolarHBondContact O-N 2.9Å; M127-N131 WeakPolarHBondContact O-CB 3.48Å; M127-N131 PolarHBondContact O-N 3.01Å
128	K	72.7	Confident	75.4	Confident	22 Å²	22	56.5 Å²	56.5	10%	0.096	28%	0.279	C	S	.	.	H	α-helix	trans	-63.5	-38.7	174.3	-78.5	-167	126	171.5	0	113.1	E55 N58 I59 Y67 C124 Q125 M126 K132	E55-K128 WeakPolarHBondContact O-CD 3.23Å; E55-K128 PolarHBondContact O-NZ 3.06Å; N58-K128 PolarHBondContact O-NZ 3.16Å; I59-K128 HydrophobicContact CD1-CD 3.9Å; I59-K128 HydrophobicContact CD1-CG 4.44Å; I59-K128 HydrophobicContact CG1-CD 3.6Å; I59-K128 HydrophobicContact CG1-CG 4.38Å; I59-K128 VanDerWaalsContact N-NZ 3.19Å; Y67-K128 HydrophobicContact CE2-CG 4.07Å; C124-K128 WeakPolarHBondContact O-CB 3.44Å; C124-K128 WeakPolarHBondContact O-CG 3.33Å; C124-K128 PolarHBondContact O-N 3.42Å; Q125-K128 PolarHBondContact O-N 2.83Å; M126-K128 VanDerWaalsContact C-N 3.33Å; M126-K128 PolarHBondContact O-N 3.48Å; K128-K132 WeakPolarHBondContact O-CB 3.18Å; K128-K132 WeakPolarHBondContact O-CG 3.27Å; K128-K132 PolarHBondContact O-N 2.97Å
129	R	69.9	Low	75	Confident	104 Å²	104	57 Å²	57	39%	0.392	28%	0.282	S	S	.	.	H	α-helix	trans	-65.9	-47	175.3	-72.7	-176.6	-173.9	164.7	8.4	110.7	E109 Q125 M126 M127 N131 K132 E133	E109-R129 PolarHBondContact O-NH1 3.38Å; Q125-R129 WeakPolarHBondContact O-CG 3.33Å; Q125-R129 PolarHBondContact O-N 3.14Å; M126-R129 WeakPolarHBondContact O-CB 3.3Å; M126-R129 PolarHBondContact O-N 2.89Å; M126-R129 VanDerWaalsContact O-N 3.1Å; M127-R129 PolarHBondContact O-N 3.45Å; R129-N131 PolarHBondContact O-N 3.15Å; R129-K132 PolarHBondContact O-N 2.72Å; R129-E133 WeakPolarHBondContact O-CG 3.39Å; R129-E133 PolarHBondContact O-N 3.4Å
130	M	63.9	Low	74.7	Confident	76 Å²	76	57.3 Å²	57.3	37%	0.374	28%	0.279	S	S	.	.	H	α-helix	trans	-61.7	-41.4	177.9	-68.8	-175.5	73.8	0	0	112.3	M126 M127 E133 N134	M126-M130 HydrophobicContact CG-SD 4.36Å; M126-M130 WeakPolarHBondContact O-CG 3.32Å; M126-M130 PolarHBondContact O-N 3.37Å; M127-M130 PolarHBondContact O-N 2.9Å; M130-E133 PolarHBondContact O-N 3.44Å; M130-N134 WeakPolarHBondContact O-CB 3.49Å; M130-N134 PolarHBondContact O-N 3.44Å; M130-N134 PolarHBondContact O-ND2 3.2Å
131	N	65.8	Low	74.5	Confident	61 Å²	61	59.2 Å²	59.2	33%	0.326	29%	0.289	S	S	.	.	H	α-helix	trans	-63.9	-43.6	174.8	-79.3	-4	0	0	0	111.2	Y67 M127 R129 E133 N134 D135	Y67-N131 PolarHBondContact OH-ND2 3.04Å; Y67-N131 VanDerWaalsContact OH-ND2 3.1Å; M127-N131 WeakPolarHBondContact O-CB 3.48Å; M127-N131 PolarHBondContact O-N 3.01Å; R129-N131 PolarHBondContact O-N 3.15Å; N131-E133 VanDerWaalsContact C-N 3.32Å; N131-E133 PolarHBondContact O-N 2.77Å; N131-N134 PolarHBondContact O-N 3.31Å; N131-D135 VanDerWaalsContact O-CB 3.25Å; N131-D135 WeakPolarHBondContact O-CB 3.38Å; N131-D135 PolarHBondContact O-N 3.31Å
132	K	64.5	Low	74.3	Confident	114 Å²	114	58.2 Å²	58.2	50%	0.496	28%	0.28	S	S	.	.	H	α-helix	trans	-61.3	-38.2	174	-75.9	-178.9	179	-173.5	0	112.8	E55 K128 R129 S136	E55-K132 IonicContact OE1-NZ 2.93Å; E55-K132 PolarHBondContact OE1-NZ 3.26Å; K128-K132 WeakPolarHBondContact O-CB 3.18Å; K128-K132 WeakPolarHBondContact O-CG 3.27Å; K128-K132 PolarHBondContact O-N 2.97Å; R129-K132 PolarHBondContact O-N 2.72Å; K132-S136 WeakPolarHBondContact O-CB 3.35Å; K132-S136 PolarHBondContact O-N 3.18Å
133	E	61.9	Low	74.2	Confident	126 Å²	126	58.3 Å²	58.3	59%	0.589	28%	0.281	S	S	*	.	H	α-helix	trans	-69.8	-45	177.1	-74.7	177.4	172.9	0	0	111.7	R129 M130 N131 S136 E137	R129-E133 WeakPolarHBondContact O-CG 3.39Å; R129-E133 PolarHBondContact O-N 3.4Å; M130-E133 PolarHBondContact O-N 3.44Å; N131-E133 VanDerWaalsContact C-N 3.32Å; N131-E133 PolarHBondContact O-N 2.77Å; E133-S136 WeakPolarHBondContact O-CB 3.4Å; E133-S136 PolarHBondContact O-N 2.84Å; E133-S136 VanDerWaalsContact O-N 3.14Å; E133-E137 PolarHBondContact O-N 3.38Å
134	N	59.5	Low	74.2	Confident	96 Å²	96	65.9 Å²	65.9	51%	0.513	31%	0.309	S	S	.	.	H	α-helix	trans	-62	-43.4	174.2	-72.9	-26.6	0	0	0	111.3	M130 N131 S136 E137 M138	M130-N134 WeakPolarHBondContact O-CB 3.49Å; M130-N134 PolarHBondContact O-N 3.44Å; M130-N134 PolarHBondContact O-ND2 3.2Å; N131-N134 PolarHBondContact O-N 3.31Å; N134-S136 VanDerWaalsContact C-N 3.3Å; N134-S136 PolarHBondContact O-N 2.76Å; N134-E137 PolarHBondContact O-N 2.85Å; N134-M138 WeakPolarHBondContact O-CB 3.43Å; N134-M138 PolarHBondContact O-N 2.9Å
135	D	71	Confident	74.2	Confident	72 Å²	72	69.5 Å²	69.5	39%	0.385	33%	0.331	S	S	.	.	H	α-helix	trans	-60.3	-42.8	173	-72.9	-23.1	0	0	0	109.8	N131 M138 I139	N131-D135 VanDerWaalsContact O-CB 3.25Å; N131-D135 WeakPolarHBondContact O-CB 3.38Å; N131-D135 PolarHBondContact O-N 3.31Å; D135-M138 PolarHBondContact O-N 2.88Å; D135-I139 HydrophobicContact CB-CD1 4.48Å; D135-I139 WeakPolarHBondContact O-CB 3.47Å; D135-I139 WeakPolarHBondContact O-CD1 3.46Å; D135-I139 WeakPolarHBondContact O-CG1 3.2Å; D135-I139 PolarHBondContact O-N 3.19Å
136	S	72.1	Confident	74.5	Confident	35 Å²	35	69.1 Å²	69.1	25%	0.245	33%	0.329	C	S	.	.	H	α-helix	trans	-64	-45.4	177.5	-172.7	0	0	0	0	112.7	K132 E133 N134 I139 R140	K132-S136 WeakPolarHBondContact O-CB 3.35Å; K132-S136 PolarHBondContact O-N 3.18Å; E133-S136 WeakPolarHBondContact O-CB 3.4Å; E133-S136 PolarHBondContact O-N 2.84Å; E133-S136 VanDerWaalsContact O-N 3.14Å; N134-S136 VanDerWaalsContact C-N 3.3Å; N134-S136 PolarHBondContact O-N 2.76Å; S136-I139 PolarHBondContact O-N 3.03Å; S136-R140 WeakPolarHBondContact O-CB 3.48Å; S136-R140 VanDerWaalsContact O-CG 3.3Å; S136-R140 WeakPolarHBondContact O-CG 3.33Å; S136-R140 PolarHBondContact O-N 2.97Å; S136-R140 PolarHBondContact OG-NE 2.87Å; S136-R140 PolarHBondContact OG-NH2 2.77Å
137	E	73.8	Confident	74.9	Confident	96 Å²	96	69 Å²	69	45%	0.449	33%	0.329	S	S	.	.	H	α-helix	trans	-64.3	-43.4	175.3	-70.2	-64.1	135.4	0	0	111	E133 N134 I139 R140 E141	E133-E137 PolarHBondContact O-N 3.38Å; N134-E137 PolarHBondContact O-N 2.85Å; E137-I139 PolarHBondContact O-N 3.36Å; E137-R140 WeakPolarHBondContact O-CB 3.26Å; E137-R140 PolarHBondContact O-N 3.08Å; E137-R140 IonicContact OE1-CZ 3.22Å; E137-R140 IonicContact OE1-NH1 2.83Å; E137-R140 PolarHBondContact OE1-NH1 2.89Å; E137-R140 IonicContact OE1-NH2 2.61Å; E137-R140 PolarHBondContact OE1-NH2 3.33Å; E137-R140 IonicContact OE2-NH1 3.72Å; E137-E141 WeakPolarHBondContact O-CG 3.44Å; E137-E141 PolarHBondContact O-N 3Å
138	M	71.7	Confident	75.2	Confident	119 Å²	119	74.5 Å²	74.5	59%	0.586	35%	0.348	S	S	*	.	H	α-helix	trans	-62.6	-42.7	176.7	-175.7	-175.2	68.9	0	0	111.6	N134 D135 R140 E141 A142	N134-M138 WeakPolarHBondContact O-CB 3.43Å; N134-M138 PolarHBondContact O-N 2.9Å; D135-M138 PolarHBondContact O-N 2.88Å; M138-R140 VanDerWaalsContact C-N 3.34Å; M138-E141 PolarHBondContact O-N 2.93Å; M138-A142 VanDerWaalsContact O-CB 3.27Å; M138-A142 WeakPolarHBondContact O-CB 3.49Å; M138-A142 PolarHBondContact O-N 2.93Å
139	I	79.4	Confident	75.9	Confident	11 Å²	11	78.5 Å²	78.5	6%	0.056	37%	0.37	C	S	.	.	H	α-helix	trans	-65.1	-39.8	176.3	-70.8	164.1	0	0	0	110.1	D135 S136 E137 A142 F143 F195 V196 M199 T200	D135-I139 HydrophobicContact CB-CD1 4.48Å; D135-I139 WeakPolarHBondContact O-CB 3.47Å; D135-I139 WeakPolarHBondContact O-CD1 3.46Å; D135-I139 WeakPolarHBondContact O-CG1 3.2Å; D135-I139 PolarHBondContact O-N 3.19Å; S136-I139 PolarHBondContact O-N 3.03Å; E137-I139 PolarHBondContact O-N 3.36Å; I139-A142 PolarHBondContact O-N 3.2Å; I139-F143 WeakPolarHBondContact O-CB 3.39Å; I139-F143 PolarHBondContact O-N 3.43Å; I139-F195 HydrophobicContact CG2-CD1 3.75Å; I139-F195 HydrophobicContact CG2-CE1 3.91Å; I139-V196 HydrophobicContact CG2-CG2 3.73Å; I139-M199 HydrophobicContact CD1-CB 3.8Å; I139-M199 HydrophobicContact CG1-CB 3.84Å; I139-M199 HydrophobicContact CG1-CG 4.19Å; I139-T200 HydrophobicContact CD1-CG2 4.14Å
140	R	82.8	Confident	76.8	Confident	91 Å²	91	76.3 Å²	76.3	34%	0.343	38%	0.38	S	S	.	.	H	α-helix	trans	-63.4	-46	174.1	-76.6	-178.3	-126.9	153.7	10.4	112.3	S136 E137 M138 F143 R144 Y192	S136-R140 WeakPolarHBondContact O-CB 3.48Å; S136-R140 VanDerWaalsContact O-CG 3.3Å; S136-R140 WeakPolarHBondContact O-CG 3.33Å; S136-R140 PolarHBondContact O-N 2.97Å; S136-R140 PolarHBondContact OG-NE 2.87Å; S136-R140 PolarHBondContact OG-NH2 2.77Å; E137-R140 WeakPolarHBondContact O-CB 3.26Å; E137-R140 PolarHBondContact O-N 3.08Å; E137-R140 IonicContact OE1-CZ 3.22Å; E137-R140 IonicContact OE1-NH1 2.83Å; E137-R140 PolarHBondContact OE1-NH1 2.89Å; E137-R140 IonicContact OE1-NH2 2.61Å; E137-R140 PolarHBondContact OE1-NH2 3.33Å; E137-R140 IonicContact OE2-NH1 3.72Å; M138-R140 VanDerWaalsContact C-N 3.34Å; R140-F143 PolarHBondContact O-N 3.13Å; R140-R144 WeakPolarHBondContact O-CG 3.38Å; R140-R144 PolarHBondContact O-N 3.44Å; R140-Y192 HydrophobicContact CB-CE2 4.47Å; R140-Y192 HydrophobicContact CG-CE2 3.65Å; R140-Y192 WeakPolarHBondContact CG-OH 3.34Å
141	E	81.7	Confident	78.1	Confident	92 Å²	92	76 Å²	76	43%	0.43	38%	0.38	S	S	.	.	H	α-helix	trans	-63.2	-45.4	176.6	-73.6	-60	130.7	0	0	110.5	E137 M138 F143 R144 V145	E137-E141 WeakPolarHBondContact O-CG 3.44Å; E137-E141 PolarHBondContact O-N 3Å; M138-E141 PolarHBondContact O-N 2.93Å; E141-F143 PolarHBondContact O-N 3.45Å; E141-R144 WeakPolarHBondContact O-CB 3.49Å; E141-R144 PolarHBondContact O-N 3.4Å; E141-R144 IonicContact OE1-CZ 2.99Å; E141-R144 IonicContact OE1-NH1 3.48Å; E141-R144 PolarHBondContact OE1-NH1 3.24Å; E141-V145 WeakPolarHBondContact O-CG2 3.41Å; E141-V145 PolarHBondContact O-N 2.99Å
142	A	80.9	Confident	79.2	Confident	24 Å²	24	74.6 Å²	74.6	20%	0.198	38%	0.379	C	S	.	.	H	α-helix	trans	-55.7	-51.4	174.4	0	0	0	0	0	111	M138 I139 R144 V145 F146 F195	M138-A142 VanDerWaalsContact O-CB 3.27Å; M138-A142 WeakPolarHBondContact O-CB 3.49Å; M138-A142 PolarHBondContact O-N 2.93Å; I139-A142 PolarHBondContact O-N 3.2Å; A142-R144 VanDerWaalsContact C-N 3.28Å; A142-R144 PolarHBondContact O-N 2.89Å; A142-V145 WeakPolarHBondContact O-CA 3.35Å; A142-V145 PolarHBondContact O-N 2.99Å; A142-F146 VanDerWaalsContact O-CD2 3.25Å; A142-F146 WeakPolarHBondContact O-CD2 3.35Å; A142-F146 PolarHBondContact O-N 3.47Å; A142-F195 HydrophobicContact CB-CE1 4.02Å; A142-F195 HydrophobicContact CB-CZ 4.02Å
143	F	85.1	Confident	80.5	Confident	13 Å²	13	72.6 Å²	72.6	6%	0.057	37%	0.371	C	S	.	.	H	α-helix	trans	-53.4	-45.6	177.6	-171.3	-88.8	0	0	0	111.7	I139 R140 E141 V145 F146 D147 G152 I154 Y192 F195	I139-F143 WeakPolarHBondContact O-CB 3.39Å; I139-F143 PolarHBondContact O-N 3.43Å; R140-F143 PolarHBondContact O-N 3.13Å; E141-F143 PolarHBondContact O-N 3.45Å; F143-V145 VanDerWaalsContact C-N 3.27Å; F143-V145 PolarHBondContact O-N 3.1Å; F143-F146 PolarHBondContact O-N 3.36Å; F143-D147 HydrophobicContact CD1-CB 4.17Å; F143-D147 HydrophobicContact CE1-CB 3.83Å; F143-D147 HydrophobicContact CZ-CB 4.4Å; F143-D147 WeakPolarHBondContact O-CB 3.4Å; F143-D147 PolarHBondContact O-N 3.35Å; F143-G152 WeakPolarHBondContact CZ-O 3.24Å; F143-I154 HydrophobicContact CD2-CD1 3.46Å; F143-I154 VanDerWaalsContact CD2-CD1 3.46Å; F143-I154 HydrophobicContact CD2-CG1 4.09Å; F143-I154 HydrophobicContact CE2-CD1 3.46Å; F143-I154 VanDerWaalsContact CE2-CD1 3.46Å; F143-I154 HydrophobicContact CE2-CG1 3.67Å; F143-I154 HydrophobicContact CG-CD1 4.27Å; F143-I154 HydrophobicContact CZ-CD1 4.26Å; F143-I154 HydrophobicContact CZ-CG1 4Å; F143-Y192 HydrophobicContact CB-CD2 4.1Å; F143-Y192 HydrophobicContact CB-CE2 4.42Å; F143-Y192 HydrophobicContact CD1-CD2 4.17Å; F143-Y192 HydrophobicContact CD2-CD2 4.02Å; F143-Y192 AromaticContact CG-CD2 3.81Å; F143-Y192 HydrophobicContact CG-CD2 3.81Å; F143-F195 HydrophobicContact CB-CD1 3.97Å; F143-F195 HydrophobicContact CB-CE1 4.02Å; F143-F195 HydrophobicContact CD2-CB 3.62Å; F143-F195 AromaticContact CD2-CD1 3.76Å; F143-F195 HydrophobicContact CD2-CD1 3.76Å; F143-F195 HydrophobicContact CD2-CD2 4.26Å; F143-F195 HydrophobicContact CD2-CE1 4.45Å; F143-F195 AromaticContact CD2-CG 3.64Å; F143-F195 HydrophobicContact CD2-CG 3.64Å; F143-F195 HydrophobicContact CE2-CB 3.94Å; F143-F195 HydrophobicContact CE2-CG 4.35Å; F143-F195 HydrophobicContact CG-CD1 4.38Å
144	R	85.3	Confident	81.8	Confident	158 Å²	158	66.6 Å²	66.6	60%	0.596	34%	0.343	S	S	*	.	H	α-helix	trans	-63.4	-28.1	176.1	-71.3	174.6	-176.8	170.3	0.8	113.9	R140 E141 A142	R140-R144 WeakPolarHBondContact O-CG 3.38Å; R140-R144 PolarHBondContact O-N 3.44Å; E141-R144 WeakPolarHBondContact O-CB 3.49Å; E141-R144 PolarHBondContact O-N 3.4Å; E141-R144 IonicContact OE1-CZ 2.99Å; E141-R144 IonicContact OE1-NH1 3.48Å; E141-R144 PolarHBondContact OE1-NH1 3.24Å; A142-R144 VanDerWaalsContact C-N 3.28Å; A142-R144 PolarHBondContact O-N 2.89Å
145	V	82.9	Confident	83.2	Confident	79 Å²	79	63.8 Å²	63.8	48%	0.479	33%	0.329	S	S	.	.	H	α-helix	trans	-78.6	-32.4	176	-165.5	0	0	0	0	111.4	E141 A142 F143 F162	E141-V145 WeakPolarHBondContact O-CG2 3.41Å; E141-V145 PolarHBondContact O-N 2.99Å; A142-V145 WeakPolarHBondContact O-CA 3.35Å; A142-V145 PolarHBondContact O-N 2.99Å; F143-V145 VanDerWaalsContact C-N 3.27Å; F143-V145 PolarHBondContact O-N 3.1Å; V145-F162 HydrophobicContact CB-CD2 4.44Å; V145-F162 HydrophobicContact CB-CE2 3.86Å; V145-F162 HydrophobicContact CG1-CD2 3.94Å; V145-F162 HydrophobicContact CG1-CE2 3.45Å; V145-F162 VanDerWaalsContact CG1-CE2 3.45Å
146	F	84.3	Confident	83.9	Confident	8 Å²	8	61.7 Å²	61.7	4%	0.035	32%	0.322	C	S	.	.	H	α-helix	trans	-72.5	-52.4	173.9	-80.8	-87.3	0	0	0	112	A142 F143 R148 I154 E158 F159 F162 F195	A142-F146 VanDerWaalsContact O-CD2 3.25Å; A142-F146 WeakPolarHBondContact O-CD2 3.35Å; A142-F146 PolarHBondContact O-N 3.47Å; F143-F146 PolarHBondContact O-N 3.36Å; F146-R148 PolarHBondContact O-N 3.41Å; F146-I154 HydrophobicContact CB-CD1 3.43Å; F146-I154 VanDerWaalsContact CB-CD1 3.43Å; F146-I154 HydrophobicContact CB-CG1 3.7Å; F146-I154 HydrophobicContact CB-CG2 4Å; F146-I154 HydrophobicContact CD1-CG2 4.27Å; F146-I154 HydrophobicContact CG-CD1 4.04Å; F146-E158 WeakPolarHBondContact O-CB 3.5Å; F146-F159 HydrophobicContact CD1-CD2 4.03Å; F146-F159 AromaticContact CE1-CD2 3.65Å; F146-F159 HydrophobicContact CE1-CD2 3.65Å; F146-F159 AromaticContact CE1-CE2 3.9Å; F146-F159 HydrophobicContact CE1-CE2 3.9Å; F146-F159 HydrophobicContact CE1-CG 4.32Å; F146-F159 HydrophobicContact CZ-CE2 4.34Å; F146-F162 HydrophobicContact CD1-CB 3.47Å; F146-F162 VanDerWaalsContact CD1-CB 3.47Å; F146-F162 AromaticContact CD1-CD1 3.79Å; F146-F162 HydrophobicContact CD1-CD1 3.79Å; F146-F162 HydrophobicContact CD1-CD2 4.3Å; F146-F162 AromaticContact CD1-CG 3.59Å; F146-F162 HydrophobicContact CD1-CG 3.59Å; F146-F162 HydrophobicContact CD2-CD1 4.17Å; F146-F162 HydrophobicContact CD2-CD2 4.43Å; F146-F162 HydrophobicContact CD2-CE1 4.18Å; F146-F162 HydrophobicContact CD2-CE2 4.5Å; F146-F162 HydrophobicContact CD2-CG 4.26Å; F146-F162 HydrophobicContact CD2-CZ 4.36Å; F146-F162 HydrophobicContact CE1-CB 3.49Å; F146-F162 VanDerWaalsContact CE1-CB 3.49Å; F146-F162 AromaticContact CE1-CD1 3.13Å; F146-F162 HydrophobicContact CE1-CD1 3.13Å; F146-F162 HydrophobicContact CE1-CD2 4.44Å; F146-F162 AromaticContact CE1-CE1 3.9Å; F146-F162 HydrophobicContact CE1-CE1 3.9Å; F146-F162 AromaticContact CE1-CG 3.43Å; F146-F162 HydrophobicContact CE1-CG 3.43Å; F146-F162 VanDerWaalsContact CE1-CG 3.43Å; F146-F162 AromaticContact CE2-CD1 3.54Å; F146-F162 HydrophobicContact CE2-CD1 3.54Å; F146-F162 AromaticContact CE2-CE1 3.39Å; F146-F162 HydrophobicContact CE2-CE1 3.39Å; F146-F162 HydrophobicContact CE2-CE2 4.44Å; F146-F162 HydrophobicContact CE2-CG 4.09Å; F146-F162 AromaticContact CE2-CZ 3.89Å; F146-F162 HydrophobicContact CE2-CZ 3.89Å; F146-F162 HydrophobicContact CG-CB 4.27Å; F146-F162 HydrophobicContact CG-CD1 4.28Å; F146-F162 HydrophobicContact CG-CD2 4.32Å; F146-F162 HydrophobicContact CG-CG 4.03Å; F146-F162 HydrophobicContact CZ-CB 4.26Å; F146-F162 AromaticContact CZ-CD1 2.98Å; F146-F162 HydrophobicContact CZ-CD1 2.98Å; F146-F162 AromaticContact CZ-CE1 3.24Å; F146-F162 HydrophobicContact CZ-CE1 3.24Å; F146-F162 AromaticContact CZ-CG 3.7Å; F146-F162 HydrophobicContact CZ-CG 3.7Å; F146-F162 HydrophobicContact CZ-CZ 4.18Å; F146-F195 AromaticContact CD2-CE2 3.81Å; F146-F195 HydrophobicContact CD2-CE2 3.81Å; F146-F195 AromaticContact CD2-CZ 3.73Å; F146-F195 HydrophobicContact CD2-CZ 3.73Å; F146-F195 AromaticContact CE2-CE2 3.87Å; F146-F195 HydrophobicContact CE2-CE2 3.87Å; F146-F195 AromaticContact CE2-CZ 3.77Å; F146-F195 HydrophobicContact CE2-CZ 3.77Å; F146-F195 HydrophobicContact CG-CE2 4.38Å; F146-F195 HydrophobicContact CZ-CE2 4.43Å
147	D	88.1	Confident	84.6	Confident	15 Å²	15	65.8 Å²	65.8	8%	0.08	34%	0.337	C	S	.	.			trans	-72.7	86.8	178.3	176.2	11.9	0	0	0	110.2	F143 G150 N151 G152 I154	F143-D147 HydrophobicContact CD1-CB 4.17Å; F143-D147 HydrophobicContact CE1-CB 3.83Å; F143-D147 HydrophobicContact CZ-CB 4.4Å; F143-D147 WeakPolarHBondContact O-CB 3.4Å; F143-D147 PolarHBondContact O-N 3.35Å; D147-G150 WeakPolarHBondContact OD1-CA 3.46Å; D147-G150 PolarHBondContact OD1-N 3.5Å; D147-G150 WeakPolarHBondContact OD2-CA 3.37Å; D147-N151 PolarHBondContact OD1-N 2.99Å; D147-N151 PolarHBondContact OD2-N 2.84Å; D147-G152 VanDerWaalsContact OD2-CA 3.32Å; D147-G152 WeakPolarHBondContact OD2-CA 3.45Å; D147-G152 PolarHBondContact OD2-N 3Å; D147-I154 HydrophobicContact CB-CG1 4.25Å
148	R	81.8	Confident	85.2	Confident	153 Å²	153	62.1 Å²	62.1	58%	0.577	32%	0.32	S	S	*	.	S	Bend	trans	-77	-32.8	-170.1	-82	-168.7	159.1	-150.3	-12.3	112.7	F146 E158 Y161	F146-R148 PolarHBondContact O-N 3.41Å; R148-E158 PolarHBondContact N-OE1 3.04Å; R148-Y161 PolarHBondContact NH1-OH 2.84Å; R148-Y161 VanDerWaalsContact NH2-CZ 3.29Å; R148-Y161 PolarHBondContact NH2-OH 2.83Å
149	D	88.1	Confident	85.8	Confident	106 Å²	106	56.7 Å²	56.7	57%	0.567	29%	0.293	S	S	*	.	S	Bend	trans	-86.1	-13.1	178	73.2	3.5	0	0	0	112.4	N151	D149-N151 VanDerWaalsContact C-N 3.34Å; D149-N151 VanDerWaalsContact CG-ND2 3.29Å; D149-N151 WeakPolarHBondContact OD1-CB 3.39Å; D149-N151 PolarHBondContact OD1-N 3.05Å; D149-N151 PolarHBondContact OD1-ND2 3.4Å; D149-N151 PolarHBondContact OD2-ND2 3.29Å
150	G	88.1	Confident	85.9	Confident	58 Å²	58	58.9 Å²	58.9	60%	0.598	30%	0.301	S	S	*	.			trans	74.9	25.3	175.8	0	0	0	0	0	112.5	D147 G152	D147-G150 WeakPolarHBondContact OD1-CA 3.46Å; D147-G150 PolarHBondContact OD1-N 3.5Å; D147-G150 WeakPolarHBondContact OD2-CA 3.37Å; G150-G152 VanDerWaalsContact C-N 3.28Å
151	N	90.6	Very high	85.8	Confident	69 Å²	69	58.7 Å²	58.7	37%	0.369	30%	0.301	S	S	.	.	S	Bend	trans	-81.4	-8.1	-176.2	73.8	24.4	0	0	0	113	D147 D149 F153	D147-N151 PolarHBondContact OD1-N 2.99Å; D147-N151 PolarHBondContact OD2-N 2.84Å; D149-N151 VanDerWaalsContact C-N 3.34Å; D149-N151 VanDerWaalsContact CG-ND2 3.29Å; D149-N151 WeakPolarHBondContact OD1-CB 3.39Å; D149-N151 PolarHBondContact OD1-N 3.05Å; D149-N151 PolarHBondContact OD1-ND2 3.4Å; D149-N151 PolarHBondContact OD2-ND2 3.29Å; N151-F153 WeakPolarHBondContact O-CD2 3.33Å; N151-F153 WeakPolarHBondContact OD1-CA 3.37Å; N151-F153 VanDerWaalsContact OD1-CB 3.3Å; N151-F153 WeakPolarHBondContact OD1-CB 3.34Å; N151-F153 PolarHBondContact OD1-N 3.1Å; N151-F153 PolarHBondContact OD1-O 3.39Å; N151-F153 VanDerWaalsContact OD1-O 3.06Å
152	G	89.5	Confident	85.5	Confident	31 Å²	31	56.1 Å²	56.1	32%	0.32	29%	0.288	S	S	.	.	S	Bend	trans	91.6	8.4	-178.3	0	0	0	0	0	114.8	F143 D147 G150	F143-G152 WeakPolarHBondContact CZ-O 3.24Å; D147-G152 VanDerWaalsContact OD2-CA 3.32Å; D147-G152 WeakPolarHBondContact OD2-CA 3.45Å; D147-G152 PolarHBondContact OD2-N 3Å; G150-G152 VanDerWaalsContact C-N 3.28Å
153	F	92	Very high	85	Confident	72 Å²	72	56 Å²	56	32%	0.316	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	138.6	-178.5	-57.8	-92.5	0	0	0	110.1	N151 Q189 I190 N191	N151-F153 WeakPolarHBondContact O-CD2 3.33Å; N151-F153 WeakPolarHBondContact OD1-CA 3.37Å; N151-F153 VanDerWaalsContact OD1-CB 3.3Å; N151-F153 WeakPolarHBondContact OD1-CB 3.34Å; N151-F153 PolarHBondContact OD1-N 3.1Å; N151-F153 PolarHBondContact OD1-O 3.39Å; N151-F153 VanDerWaalsContact OD1-O 3.06Å; F153-Q189 HydrophobicContact CB-CB 4.07Å; F153-Q189 HydrophobicContact CD1-CB 4.39Å; F153-I190 WeakPolarHBondContact CA-O 3.41Å; F153-N191 HydrophobicContact CD1-CB 3.92Å; F153-N191 HydrophobicContact CE1-CB 3.94Å
154	I	88.7	Confident	84.4	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	113.3	173.5	-57.8	164.5	0	0	0	107.9	F143 F146 D147 E158 F159 I190 F195	F143-I154 HydrophobicContact CD2-CD1 3.46Å; F143-I154 VanDerWaalsContact CD2-CD1 3.46Å; F143-I154 HydrophobicContact CD2-CG1 4.09Å; F143-I154 HydrophobicContact CE2-CD1 3.46Å; F143-I154 VanDerWaalsContact CE2-CD1 3.46Å; F143-I154 HydrophobicContact CE2-CG1 3.67Å; F143-I154 HydrophobicContact CG-CD1 4.27Å; F143-I154 HydrophobicContact CZ-CD1 4.26Å; F143-I154 HydrophobicContact CZ-CG1 4Å; F146-I154 HydrophobicContact CB-CD1 3.43Å; F146-I154 VanDerWaalsContact CB-CD1 3.43Å; F146-I154 HydrophobicContact CB-CG1 3.7Å; F146-I154 HydrophobicContact CB-CG2 4Å; F146-I154 HydrophobicContact CD1-CG2 4.27Å; F146-I154 HydrophobicContact CG-CD1 4.04Å; D147-I154 HydrophobicContact CB-CG1 4.25Å; I154-E158 HydrophobicContact CG2-CB 4.1Å; I154-F159 HydrophobicContact CG2-CB 4.01Å; I154-F159 HydrophobicContact CG2-CD2 4.4Å; I154-I190 HydrophobicContact CB-CB 4.27Å; I154-I190 PolarHBondContact N-O 3.39Å; I154-I190 PolarHBondContact O-N 2.85Å; I154-F195 HydrophobicContact CD1-CD2 3.51Å; I154-F195 HydrophobicContact CD1-CE2 3.78Å; I154-F195 HydrophobicContact CD1-CG 4.12Å
155	T	89	Confident	83.6	Confident	37 Å²	37	57.5 Å²	57.5	23%	0.227	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	159.7	174.4	62.1	0	0	0	0	111.5	Q157 E158 F159 Q189	T155-Q157 PolarHBondContact O-N 3.01Å; T155-Q157 VanDerWaalsContact O-N 3.13Å; T155-E158 WeakPolarHBondContact CB-OE2 3.12Å; T155-E158 WeakPolarHBondContact CG2-OE2 3.4Å; T155-E158 PolarHBondContact N-OE2 2.99Å; T155-E158 PolarHBondContact O-N 3.24Å; T155-E158 WeakPolarHBondContact OG1-CG 3.41Å; T155-E158 PolarHBondContact OG1-N 2.86Å; T155-E158 PolarHBondContact OG1-OE2 3.17Å; T155-F159 PolarHBondContact O-N 3.08Å; T155-Q189 HydrophobicContact CG2-CG 4.38Å
156	A	86.4	Confident	82.6	Confident	27 Å²	27	59.4 Å²	59.4	22%	0.223	31%	0.308	C	S	.	.	H	α-helix	trans	-53.4	-35.7	172.8	0	0	0	0	0	113.5	R160 I179	A156-R160 VanDerWaalsContact O-CB 3.24Å; A156-R160 WeakPolarHBondContact O-CB 3.28Å; A156-R160 PolarHBondContact O-N 2.83Å; A156-I179 HydrophobicContact CB-CD1 3.24Å
157	Q	86.7	Confident	81.3	Confident	121 Å²	121	62.1 Å²	62.1	57%	0.565	34%	0.338	S	S	*	.	H	α-helix	trans	-70.2	-38.2	179.9	-174.2	57.3	70.2	0	0	112.2	T155 Y161	T155-Q157 PolarHBondContact O-N 3.01Å; T155-Q157 VanDerWaalsContact O-N 3.13Å; Q157-Y161 VanDerWaalsContact O-CB 3.27Å; Q157-Y161 WeakPolarHBondContact O-CB 3.42Å; Q157-Y161 PolarHBondContact O-N 2.98Å
158	E	86.6	Confident	80.1	Confident	20 Å²	20	66.4 Å²	66.4	9%	0.093	36%	0.358	C	S	.	.	H	α-helix	trans	-70.4	-44.6	175.6	-77	167.4	133.7	0	0	111.8	F146 R148 I154 T155 R160 Y161 F162	F146-E158 WeakPolarHBondContact O-CB 3.5Å; R148-E158 PolarHBondContact N-OE1 3.04Å; I154-E158 HydrophobicContact CG2-CB 4.1Å; T155-E158 WeakPolarHBondContact CB-OE2 3.12Å; T155-E158 WeakPolarHBondContact CG2-OE2 3.4Å; T155-E158 PolarHBondContact N-OE2 2.99Å; T155-E158 PolarHBondContact O-N 3.24Å; T155-E158 WeakPolarHBondContact OG1-CG 3.41Å; T155-E158 PolarHBondContact OG1-N 2.86Å; T155-E158 PolarHBondContact OG1-OE2 3.17Å; E158-R160 PolarHBondContact O-N 2.75Å; E158-Y161 WeakPolarHBondContact O-CB 3.5Å; E158-Y161 PolarHBondContact O-N 2.99Å; E158-F162 PolarHBondContact O-N 3.49Å
159	F	84.1	Confident	79.1	Confident	5 Å²	5	67.9 Å²	67.9	2%	0.022	37%	0.371	C	S	.	.	H	α-helix	trans	-56.8	-50.9	174.8	-167.8	-91.1	0	0	0	111.3	F146 I154 T155 Y161 F162 M163 V175 I178 I190 M198	F146-F159 HydrophobicContact CD1-CD2 4.03Å; F146-F159 AromaticContact CE1-CD2 3.65Å; F146-F159 HydrophobicContact CE1-CD2 3.65Å; F146-F159 AromaticContact CE1-CE2 3.9Å; F146-F159 HydrophobicContact CE1-CE2 3.9Å; F146-F159 HydrophobicContact CE1-CG 4.32Å; F146-F159 HydrophobicContact CZ-CE2 4.34Å; I154-F159 HydrophobicContact CG2-CB 4.01Å; I154-F159 HydrophobicContact CG2-CD2 4.4Å; T155-F159 PolarHBondContact O-N 3.08Å; F159-Y161 VanDerWaalsContact C-N 3.33Å; F159-Y161 PolarHBondContact O-N 3.18Å; F159-F162 PolarHBondContact O-N 3.37Å; F159-M163 HydrophobicContact CD1-CG 3.95Å; F159-M163 HydrophobicContact CE1-CE 3.94Å; F159-M163 HydrophobicContact CE1-CG 3.67Å; F159-M163 HydrophobicContact CE1-SD 4.4Å; F159-M163 HydrophobicContact CZ-CE 3.82Å; F159-M163 HydrophobicContact CZ-CG 4.14Å; F159-M163 HydrophobicContact CZ-SD 4.33Å; F159-M163 WeakPolarHBondContact O-CG 3.43Å; F159-M163 PolarHBondContact O-N 3.32Å; F159-V175 HydrophobicContact CD1-CG1 3.85Å; F159-V175 HydrophobicContact CD1-CG2 4.34Å; F159-I178 HydrophobicContact CE1-CD1 4.16Å; F159-I178 HydrophobicContact CE1-CG2 4.14Å; F159-I178 HydrophobicContact CZ-CD1 4.49Å; F159-I178 HydrophobicContact CZ-CG2 3.84Å; F159-I190 HydrophobicContact CD2-CD1 4.4Å; F159-M198 HydrophobicContact CE2-CE 4.31Å; F159-M198 HydrophobicContact CE2-SD 4.36Å
160	R	80.8	Confident	78.2	Confident	56 Å²	56	65.9 Å²	65.9	21%	0.211	36%	0.358	C	S	.	.	H	α-helix	trans	-59.1	-44.2	177.1	-172.3	-177.9	-56.3	-179.1	-2.9	112.3	A156 E158 F162 T164 D172 V175	A156-R160 VanDerWaalsContact O-CB 3.24Å; A156-R160 WeakPolarHBondContact O-CB 3.28Å; A156-R160 PolarHBondContact O-N 2.83Å; E158-R160 PolarHBondContact O-N 2.75Å; R160-F162 VanDerWaalsContact C-N 3.33Å; R160-F162 PolarHBondContact O-N 3.23Å; R160-T164 WeakPolarHBondContact O-CB 3.48Å; R160-T164 PolarHBondContact O-N 3.28Å; R160-T164 VanDerWaalsContact O-N 3.12Å; R160-T164 PolarHBondContact O-OG1 3.38Å; R160-D172 IonicContact CZ-OD1 3.32Å; R160-D172 IonicContact CZ-OD2 2.71Å; R160-D172 IonicContact NE-OD1 3.67Å; R160-D172 PolarHBondContact NE-OD1 3.49Å; R160-D172 IonicContact NH1-OD1 3.42Å; R160-D172 PolarHBondContact NH1-OD1 2.95Å; R160-D172 IonicContact NH1-OD2 2.79Å; R160-D172 PolarHBondContact NH1-OD2 3.37Å; R160-D172 VanDerWaalsContact NH2-CG 3.26Å; R160-D172 IonicContact NH2-OD1 3.34Å; R160-D172 PolarHBondContact NH2-OD1 3.4Å; R160-D172 IonicContact NH2-OD2 3.96Å; R160-D172 PolarHBondContact NH2-OD2 2.86Å; R160-V175 HydrophobicContact CB-CG1 4.45Å; R160-V175 HydrophobicContact CB-CG2 4.4Å; R160-V175 HydrophobicContact CG-CG2 4.46Å
161	Y	81.8	Confident	77.8	Confident	87 Å²	87	66.3 Å²	66.3	34%	0.341	35%	0.349	S	S	.	.	H	α-helix	trans	-58.4	-48.9	177.8	-178.2	-75.3	0	0	0	110.1	R148 Q157 E158 F159 T164 H165	R148-Y161 PolarHBondContact NH1-OH 2.84Å; R148-Y161 VanDerWaalsContact NH2-CZ 3.29Å; R148-Y161 PolarHBondContact NH2-OH 2.83Å; Q157-Y161 VanDerWaalsContact O-CB 3.27Å; Q157-Y161 WeakPolarHBondContact O-CB 3.42Å; Q157-Y161 PolarHBondContact O-N 2.98Å; E158-Y161 WeakPolarHBondContact O-CB 3.5Å; E158-Y161 PolarHBondContact O-N 2.99Å; F159-Y161 VanDerWaalsContact C-N 3.33Å; F159-Y161 PolarHBondContact O-N 3.18Å; Y161-T164 PolarHBondContact O-N 2.81Å; Y161-H165 AromaticContact CD1-CE1 3.71Å; Y161-H165 AromaticContact CD1-ND1 3.58Å; Y161-H165 AromaticContact CD2-CE1 3.96Å; Y161-H165 AromaticContact CE1-CD2 3.9Å; Y161-H165 AromaticContact CE1-CE1 3.05Å; Y161-H165 WeakPolarHBondContact CE1-CE1 3.42Å; Y161-H165 AromaticContact CE1-CG 3.78Å; Y161-H165 AromaticContact CE1-ND1 3.23Å; Y161-H165 WeakPolarHBondContact CE1-ND1 3.38Å; Y161-H165 AromaticContact CE1-NE2 3.44Å; Y161-H165 WeakPolarHBondContact CE1-NE2 3.39Å; Y161-H165 AromaticContact CE2-CE1 3.47Å; Y161-H165 VanDerWaalsContact CE2-CE1 3.47Å; Y161-H165 WeakPolarHBondContact CE2-CE1 3.46Å; Y161-H165 AromaticContact CZ-CE1 2.96Å; Y161-H165 AromaticContact CZ-ND1 3.68Å; Y161-H165 AromaticContact CZ-NE2 3.24Å; Y161-H165 PolarHBondContact O-N 3.46Å; Y161-H165 PolarHBondContact O-ND1 3.39Å; Y161-H165 PolarHBondContact OH-CE1 3.31Å; Y161-H165 VanDerWaalsContact OH-CE1 3.22Å; Y161-H165 PolarHBondContact OH-NE2 3.07Å
162	F	75.7	Confident	77.3	Confident	38 Å²	38	66.7 Å²	66.7	17%	0.167	35%	0.351	C	S	.	.	H	α-helix	trans	-64.8	-45.7	-177.4	-174.5	-87.8	0	0	0	112.4	V145 F146 E158 F159 R160 T164 H165 M166	V145-F162 HydrophobicContact CB-CD2 4.44Å; V145-F162 HydrophobicContact CB-CE2 3.86Å; V145-F162 HydrophobicContact CG1-CD2 3.94Å; V145-F162 HydrophobicContact CG1-CE2 3.45Å; V145-F162 VanDerWaalsContact CG1-CE2 3.45Å; F146-F162 HydrophobicContact CD1-CB 3.47Å; F146-F162 VanDerWaalsContact CD1-CB 3.47Å; F146-F162 AromaticContact CD1-CD1 3.79Å; F146-F162 HydrophobicContact CD1-CD1 3.79Å; F146-F162 HydrophobicContact CD1-CD2 4.3Å; F146-F162 AromaticContact CD1-CG 3.59Å; F146-F162 HydrophobicContact CD1-CG 3.59Å; F146-F162 HydrophobicContact CD2-CD1 4.17Å; F146-F162 HydrophobicContact CD2-CD2 4.43Å; F146-F162 HydrophobicContact CD2-CE1 4.18Å; F146-F162 HydrophobicContact CD2-CE2 4.5Å; F146-F162 HydrophobicContact CD2-CG 4.26Å; F146-F162 HydrophobicContact CD2-CZ 4.36Å; F146-F162 HydrophobicContact CE1-CB 3.49Å; F146-F162 VanDerWaalsContact CE1-CB 3.49Å; F146-F162 AromaticContact CE1-CD1 3.13Å; F146-F162 HydrophobicContact CE1-CD1 3.13Å; F146-F162 HydrophobicContact CE1-CD2 4.44Å; F146-F162 AromaticContact CE1-CE1 3.9Å; F146-F162 HydrophobicContact CE1-CE1 3.9Å; F146-F162 AromaticContact CE1-CG 3.43Å; F146-F162 HydrophobicContact CE1-CG 3.43Å; F146-F162 VanDerWaalsContact CE1-CG 3.43Å; F146-F162 AromaticContact CE2-CD1 3.54Å; F146-F162 HydrophobicContact CE2-CD1 3.54Å; F146-F162 AromaticContact CE2-CE1 3.39Å; F146-F162 HydrophobicContact CE2-CE1 3.39Å; F146-F162 HydrophobicContact CE2-CE2 4.44Å; F146-F162 HydrophobicContact CE2-CG 4.09Å; F146-F162 AromaticContact CE2-CZ 3.89Å; F146-F162 HydrophobicContact CE2-CZ 3.89Å; F146-F162 HydrophobicContact CG-CB 4.27Å; F146-F162 HydrophobicContact CG-CD1 4.28Å; F146-F162 HydrophobicContact CG-CD2 4.32Å; F146-F162 HydrophobicContact CG-CG 4.03Å; F146-F162 HydrophobicContact CZ-CB 4.26Å; F146-F162 AromaticContact CZ-CD1 2.98Å; F146-F162 HydrophobicContact CZ-CD1 2.98Å; F146-F162 AromaticContact CZ-CE1 3.24Å; F146-F162 HydrophobicContact CZ-CE1 3.24Å; F146-F162 AromaticContact CZ-CG 3.7Å; F146-F162 HydrophobicContact CZ-CG 3.7Å; F146-F162 HydrophobicContact CZ-CZ 4.18Å; E158-F162 PolarHBondContact O-N 3.49Å; F159-F162 PolarHBondContact O-N 3.37Å; R160-F162 VanDerWaalsContact C-N 3.33Å; R160-F162 PolarHBondContact O-N 3.23Å; F162-T164 VanDerWaalsContact C-N 3.31Å; F162-T164 PolarHBondContact O-N 2.94Å; F162-H165 WeakPolarHBondContact O-CA 3.36Å; F162-H165 WeakPolarHBondContact O-CB 3.2Å; F162-H165 PolarHBondContact O-N 3.22Å; F162-M166 HydrophobicContact CD1-CG 3.81Å; F162-M166 HydrophobicContact CE1-CE 3.87Å; F162-M166 HydrophobicContact CE1-CG 3.41Å; F162-M166 VanDerWaalsContact CE1-CG 3.41Å; F162-M166 HydrophobicContact CE1-SD 3.64Å; F162-M166 HydrophobicContact CZ-CG 3.95Å; F162-M166 HydrophobicContact CZ-SD 3.92Å; F162-M166 PolarHBondContact O-N 3.11Å
163	M	70.4	Confident	77.1	Confident	21 Å²	21	71.6 Å²	71.6	10%	0.103	37%	0.365	C	S	.	.	H	α-helix	trans	-60.2	-42.3	179.4	-67.4	-61.2	-114.3	0	0	111.9	F159 H165 M166 G167 E168 F170	F159-M163 HydrophobicContact CD1-CG 3.95Å; F159-M163 HydrophobicContact CE1-CE 3.94Å; F159-M163 HydrophobicContact CE1-CG 3.67Å; F159-M163 HydrophobicContact CE1-SD 4.4Å; F159-M163 HydrophobicContact CZ-CE 3.82Å; F159-M163 HydrophobicContact CZ-CG 4.14Å; F159-M163 HydrophobicContact CZ-SD 4.33Å; F159-M163 WeakPolarHBondContact O-CG 3.43Å; F159-M163 PolarHBondContact O-N 3.32Å; M163-H165 PolarHBondContact O-N 3.27Å; M163-M166 PolarHBondContact O-N 2.95Å; M163-M166 VanDerWaalsContact O-N 3.07Å; M163-G167 PolarHBondContact O-N 2.9Å; M163-E168 CarbonylContact C-O 3.26Å; M163-E168 VanDerWaalsContact C-O 3.26Å; M163-E168 PolarHBondContact O-N 2.85Å; M163-F170 HydrophobicContact CB-CD2 4Å; M163-F170 HydrophobicContact CE-CD2 3.71Å; M163-F170 HydrophobicContact CE-CE2 3.13Å; M163-F170 HydrophobicContact CE-CZ 3.67Å; M163-F170 HydrophobicContact CG-CD2 4.18Å; M163-F170 HydrophobicContact CG-CE2 4.46Å; M163-F170 HydrophobicContact SD-CD2 4.47Å; M163-F170 HydrophobicContact SD-CE2 4.17Å
164	T	72.3	Confident	76.7	Confident	83 Å²	83	72.5 Å²	72.5	51%	0.509	37%	0.371	S	S	.	.	H	α-helix	trans	-59.1	-34.2	174.8	-52.7	0	0	0	0	112.2	R160 Y161 F162 G167	R160-T164 WeakPolarHBondContact O-CB 3.48Å; R160-T164 PolarHBondContact O-N 3.28Å; R160-T164 VanDerWaalsContact O-N 3.12Å; R160-T164 PolarHBondContact O-OG1 3.38Å; Y161-T164 PolarHBondContact O-N 2.81Å; F162-T164 VanDerWaalsContact C-N 3.31Å; F162-T164 PolarHBondContact O-N 2.94Å; T164-G167 PolarHBondContact O-N 2.82Å
165	H	68	Low	76.4	Confident	121 Å²	121	72.5 Å²	72.5	56%	0.56	37%	0.371	S	S	*	.	H	α-helix	trans	-80.1	-24.2	178.5	-73.4	67.6	0	0	0	113.3	Y161 F162 M163 G167	Y161-H165 AromaticContact CD1-CE1 3.71Å; Y161-H165 AromaticContact CD1-ND1 3.58Å; Y161-H165 AromaticContact CD2-CE1 3.96Å; Y161-H165 AromaticContact CE1-CD2 3.9Å; Y161-H165 AromaticContact CE1-CE1 3.05Å; Y161-H165 WeakPolarHBondContact CE1-CE1 3.42Å; Y161-H165 AromaticContact CE1-CG 3.78Å; Y161-H165 AromaticContact CE1-ND1 3.23Å; Y161-H165 WeakPolarHBondContact CE1-ND1 3.38Å; Y161-H165 AromaticContact CE1-NE2 3.44Å; Y161-H165 WeakPolarHBondContact CE1-NE2 3.39Å; Y161-H165 AromaticContact CE2-CE1 3.47Å; Y161-H165 VanDerWaalsContact CE2-CE1 3.47Å; Y161-H165 WeakPolarHBondContact CE2-CE1 3.46Å; Y161-H165 AromaticContact CZ-CE1 2.96Å; Y161-H165 AromaticContact CZ-ND1 3.68Å; Y161-H165 AromaticContact CZ-NE2 3.24Å; Y161-H165 PolarHBondContact O-N 3.46Å; Y161-H165 PolarHBondContact O-ND1 3.39Å; Y161-H165 PolarHBondContact OH-CE1 3.31Å; Y161-H165 VanDerWaalsContact OH-CE1 3.22Å; Y161-H165 PolarHBondContact OH-NE2 3.07Å; F162-H165 WeakPolarHBondContact O-CA 3.36Å; F162-H165 WeakPolarHBondContact O-CB 3.2Å; F162-H165 PolarHBondContact O-N 3.22Å; M163-H165 PolarHBondContact O-N 3.27Å; H165-G167 PolarHBondContact O-N 3.2Å
166	M	61.8	Low	76.2	Confident	118 Å²	118	74.1 Å²	74.1	58%	0.581	38%	0.378	S	S	*	.	H	α-helix	trans	-75.2	-6.5	171.8	-71.7	-109.4	-72.3	0	0	112.9	F162 M163 E168	F162-M166 HydrophobicContact CD1-CG 3.81Å; F162-M166 HydrophobicContact CE1-CE 3.87Å; F162-M166 HydrophobicContact CE1-CG 3.41Å; F162-M166 VanDerWaalsContact CE1-CG 3.41Å; F162-M166 HydrophobicContact CE1-SD 3.64Å; F162-M166 HydrophobicContact CZ-CG 3.95Å; F162-M166 HydrophobicContact CZ-SD 3.92Å; F162-M166 PolarHBondContact O-N 3.11Å; M163-M166 PolarHBondContact O-N 2.95Å; M163-M166 VanDerWaalsContact O-N 3.07Å; M166-E168 VanDerWaalsContact C-N 3.28Å
167	G	56.9	Low	76.2	Confident	65 Å²	65	77 Å²	77	67%	0.67	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	2.2	179.9	0	0	0	0	0	113.9	M163 T164 H165	M163-G167 PolarHBondContact O-N 2.9Å; T164-G167 PolarHBondContact O-N 2.82Å; H165-G167 PolarHBondContact O-N 3.2Å
168	E	62.9	Low	76	Confident	105 Å²	105	73 Å²	73	49%	0.491	37%	0.369	S	S	.	.			trans	-91	121.6	169.8	-66.1	-170.3	157.9	0	0	109.2	M163 M166 F170	M163-E168 CarbonylContact C-O 3.26Å; M163-E168 VanDerWaalsContact C-O 3.26Å; M163-E168 PolarHBondContact O-N 2.85Å; M166-E168 VanDerWaalsContact C-N 3.28Å; E168-F170 HydrophobicContact CB-CD2 4.16Å; E168-F170 HydrophobicContact CB-CE2 3.67Å; E168-F170 WeakPolarHBondContact OE2-CE2 3.47Å
169	Q	59.9	Low	75.9	Confident	184 Å²	184	72.6 Å²	72.6	86%	0.86	37%	0.367	S	S	*	.			trans	-95.6	105.7	175.9	-66.8	-176.7	41	0	0	108.1
170	F	69.9	Low	76.1	Confident	65 Å²	65	79.5 Å²	79.5	29%	0.285	39%	0.393	S	S	.	.			trans	-94	141.3	164.9	-69.5	-90.3	0	0	0	108.8	M163 E168 E174 V175 I178	M163-F170 HydrophobicContact CB-CD2 4Å; M163-F170 HydrophobicContact CE-CD2 3.71Å; M163-F170 HydrophobicContact CE-CE2 3.13Å; M163-F170 HydrophobicContact CE-CZ 3.67Å; M163-F170 HydrophobicContact CG-CD2 4.18Å; M163-F170 HydrophobicContact CG-CE2 4.46Å; M163-F170 HydrophobicContact SD-CD2 4.47Å; M163-F170 HydrophobicContact SD-CE2 4.17Å; E168-F170 HydrophobicContact CB-CD2 4.16Å; E168-F170 HydrophobicContact CB-CE2 3.67Å; E168-F170 WeakPolarHBondContact OE2-CE2 3.47Å; F170-E174 VanDerWaalsContact CA-OE2 3.22Å; F170-E174 WeakPolarHBondContact CA-OE2 3.46Å; F170-E174 HydrophobicContact CB-CB 4.1Å; F170-E174 HydrophobicContact CD1-CB 3.89Å; F170-V175 HydrophobicContact CB-CG2 3.76Å; F170-I178 HydrophobicContact CD1-CD1 3.97Å; F170-I178 HydrophobicContact CE1-CD1 3.95Å
171	T	80.2	Confident	76.3	Confident	67 Å²	67	83 Å²	83	41%	0.411	41%	0.412	S	S	.	.			trans	-70.2	161.2	169.1	81.1	0	0	0	0	110	E173 E174 V175	T171-E173 WeakPolarHBondContact CB-OE2 3.41Å; T171-E173 PolarHBondContact O-N 2.86Å; T171-E173 PolarHBondContact OG1-N 2.86Å; T171-E173 PolarHBondContact OG1-OE2 3.38Å; T171-E174 PolarHBondContact N-OE2 3.15Å; T171-E174 PolarHBondContact O-N 3.08Å; T171-E174 VanDerWaalsContact O-N 3.07Å; T171-E174 PolarHBondContact OG1-N 3.12Å; T171-V175 PolarHBondContact O-N 2.78Å
172	D	80.8	Confident	76.5	Confident	77 Å²	77	79.7 Å²	79.7	41%	0.412	40%	0.401	S	S	.	.	H	α-helix	trans	-54.7	-39.1	175.4	-76.8	14	0	0	0	110.8	R160 V175 D176	R160-D172 IonicContact CZ-OD1 3.32Å; R160-D172 IonicContact CZ-OD2 2.71Å; R160-D172 IonicContact NE-OD1 3.67Å; R160-D172 PolarHBondContact NE-OD1 3.49Å; R160-D172 IonicContact NH1-OD1 3.42Å; R160-D172 PolarHBondContact NH1-OD1 2.95Å; R160-D172 IonicContact NH1-OD2 2.79Å; R160-D172 PolarHBondContact NH1-OD2 3.37Å; R160-D172 VanDerWaalsContact NH2-CG 3.26Å; R160-D172 IonicContact NH2-OD1 3.34Å; R160-D172 PolarHBondContact NH2-OD1 3.4Å; R160-D172 IonicContact NH2-OD2 3.96Å; R160-D172 PolarHBondContact NH2-OD2 2.86Å; D172-V175 PolarHBondContact O-N 3.17Å; D172-D176 WeakPolarHBondContact O-CB 3.3Å; D172-D176 PolarHBondContact O-N 3.49Å
173	E	84.6	Confident	77.1	Confident	133 Å²	133	79 Å²	79	62%	0.621	40%	0.399	S	S	*	.	H	α-helix	trans	-66.3	-37.8	177.2	-57.9	77.1	-167	0	0	112.9	T171 D176 E177	T171-E173 WeakPolarHBondContact CB-OE2 3.41Å; T171-E173 PolarHBondContact O-N 2.86Å; T171-E173 PolarHBondContact OG1-N 2.86Å; T171-E173 PolarHBondContact OG1-OE2 3.38Å; E173-D176 PolarHBondContact O-N 2.78Å; E173-E177 WeakPolarHBondContact O-CB 3.28Å; E173-E177 PolarHBondContact O-N 3.4Å
174	E	83.4	Confident	77.9	Confident	91 Å²	91	83.1 Å²	83.1	43%	0.425	42%	0.42	S	S	.	.	H	α-helix	trans	-69.5	-40.2	177.1	-68.7	174.2	140.2	0	0	111.4	F170 T171 E177 I178	F170-E174 VanDerWaalsContact CA-OE2 3.22Å; F170-E174 WeakPolarHBondContact CA-OE2 3.46Å; F170-E174 HydrophobicContact CB-CB 4.1Å; F170-E174 HydrophobicContact CD1-CB 3.89Å; T171-E174 PolarHBondContact N-OE2 3.15Å; T171-E174 PolarHBondContact O-N 3.08Å; T171-E174 VanDerWaalsContact O-N 3.07Å; T171-E174 PolarHBondContact OG1-N 3.12Å; E174-E177 PolarHBondContact O-N 2.75Å; E174-I178 VanDerWaalsContact O-CG1 3.26Å; E174-I178 WeakPolarHBondContact O-CG1 3.12Å; E174-I178 PolarHBondContact O-N 3.26Å
175	V	82.9	Confident	78.7	Confident	1 Å²	1	83.8 Å²	83.8	1%	0.006	42%	0.421	C	S	.	.	H	α-helix	trans	-62.3	-45.8	173.8	172.4	0	0	0	0	110.5	F159 R160 F170 T171 D172 E177 I178 I179	F159-V175 HydrophobicContact CD1-CG1 3.85Å; F159-V175 HydrophobicContact CD1-CG2 4.34Å; R160-V175 HydrophobicContact CB-CG1 4.45Å; R160-V175 HydrophobicContact CB-CG2 4.4Å; R160-V175 HydrophobicContact CG-CG2 4.46Å; F170-V175 HydrophobicContact CB-CG2 3.76Å; T171-V175 PolarHBondContact O-N 2.78Å; D172-V175 PolarHBondContact O-N 3.17Å; V175-E177 VanDerWaalsContact C-N 3.26Å; V175-E177 PolarHBondContact O-N 3.02Å; V175-I178 PolarHBondContact O-N 2.81Å; V175-I179 HydrophobicContact CG1-CD1 3.7Å; V175-I179 HydrophobicContact CG1-CG1 4.42Å; V175-I179 VanDerWaalsContact O-CG1 3.28Å; V175-I179 WeakPolarHBondContact O-CG1 3.32Å; V175-I179 PolarHBondContact O-N 2.9Å
176	D	84.5	Confident	79.7	Confident	72 Å²	72	80.9 Å²	80.9	39%	0.385	42%	0.423	S	S	.	.	H	α-helix	trans	-64.6	-32.2	178.9	-70.7	-10.3	0	0	0	112	D172 E173 R180	D172-D176 WeakPolarHBondContact O-CB 3.3Å; D172-D176 PolarHBondContact O-N 3.49Å; E173-D176 PolarHBondContact O-N 2.78Å; D176-R180 VanDerWaalsContact O-CB 3.3Å; D176-R180 WeakPolarHBondContact O-CB 3.39Å; D176-R180 PolarHBondContact O-N 3.04Å; D176-R180 VanDerWaalsContact O-N 3.1Å
177	E	86	Confident	81	Confident	86 Å²	86	78.5 Å²	78.5	40%	0.402	41%	0.413	S	S	.	.	H	α-helix	trans	-68.4	-48.2	173.1	-162.5	65.8	-132.4	0	0	111.3	E173 E174 V175 I179 R180 E181	E173-E177 WeakPolarHBondContact O-CB 3.28Å; E173-E177 PolarHBondContact O-N 3.4Å; E174-E177 PolarHBondContact O-N 2.75Å; V175-E177 VanDerWaalsContact C-N 3.26Å; V175-E177 PolarHBondContact O-N 3.02Å; E177-I179 VanDerWaalsContact C-N 3.3Å; E177-I179 PolarHBondContact O-N 2.87Å; E177-R180 PolarHBondContact O-N 2.88Å; E177-R180 VanDerWaalsContact O-N 3.14Å; E177-R180 IonicContact OE1-NH1 3.12Å; E177-R180 PolarHBondContact OE1-NH1 3.13Å; E177-R180 IonicContact OE2-CZ 2.66Å; E177-R180 IonicContact OE2-NH1 3.06Å; E177-R180 PolarHBondContact OE2-NH1 3.25Å; E177-E181 WeakPolarHBondContact O-CG 3.33Å; E177-E181 PolarHBondContact O-N 2.95Å
178	I	82.3	Confident	82.4	Confident	37 Å²	37	77.2 Å²	77.2	19%	0.19	40%	0.399	C	S	.	.	H	α-helix	trans	-57.9	-45.7	178.4	-68.4	163.5	0	0	0	110.5	F159 F170 E174 V175 R180 E181 V182 M198	F159-I178 HydrophobicContact CE1-CD1 4.16Å; F159-I178 HydrophobicContact CE1-CG2 4.14Å; F159-I178 HydrophobicContact CZ-CD1 4.49Å; F159-I178 HydrophobicContact CZ-CG2 3.84Å; F170-I178 HydrophobicContact CD1-CD1 3.97Å; F170-I178 HydrophobicContact CE1-CD1 3.95Å; E174-I178 VanDerWaalsContact O-CG1 3.26Å; E174-I178 WeakPolarHBondContact O-CG1 3.12Å; E174-I178 PolarHBondContact O-N 3.26Å; V175-I178 PolarHBondContact O-N 2.81Å; I178-R180 VanDerWaalsContact C-N 3.35Å; I178-R180 PolarHBondContact O-N 2.82Å; I178-E181 PolarHBondContact O-N 3.33Å; I178-V182 HydrophobicContact CG2-CG2 4.48Å; I178-V182 WeakPolarHBondContact O-CB 3.48Å; I178-V182 VanDerWaalsContact O-CG2 3.24Å; I178-V182 WeakPolarHBondContact O-CG2 3.19Å; I178-V182 PolarHBondContact O-N 3.36Å; I178-M198 HydrophobicContact CG2-SD 4.35Å
179	I	85.5	Confident	83.7	Confident	12 Å²	12	74.9 Å²	74.9	6%	0.062	39%	0.389	C	S	.	.	H	α-helix	trans	-62.2	-46.7	178.6	-66.4	165.9	0	0	0	109.7	A156 V175 E177 E181 V182 D183 I190	A156-I179 HydrophobicContact CB-CD1 3.24Å; V175-I179 HydrophobicContact CG1-CD1 3.7Å; V175-I179 HydrophobicContact CG1-CG1 4.42Å; V175-I179 VanDerWaalsContact O-CG1 3.28Å; V175-I179 WeakPolarHBondContact O-CG1 3.32Å; V175-I179 PolarHBondContact O-N 2.9Å; E177-I179 VanDerWaalsContact C-N 3.3Å; E177-I179 PolarHBondContact O-N 2.87Å; I179-E181 PolarHBondContact O-N 3.46Å; I179-V182 PolarHBondContact O-N 3Å; I179-V182 VanDerWaalsContact O-N 3.08Å; I179-D183 HydrophobicContact CG2-CB 4.27Å; I179-D183 WeakPolarHBondContact O-CB 3.24Å; I179-D183 PolarHBondContact O-N 2.88Å; I179-I190 HydrophobicContact CG1-CD1 4.16Å
180	R	87.2	Confident	85.1	Confident	150 Å²	150	66.1 Å²	66.1	57%	0.566	35%	0.348	S	S	*	.	H	α-helix	trans	-62.8	-29.1	179.5	-163.4	-173.2	-51.2	122.5	10.8	113.5	D176 E177 I178	D176-R180 VanDerWaalsContact O-CB 3.3Å; D176-R180 WeakPolarHBondContact O-CB 3.39Å; D176-R180 PolarHBondContact O-N 3.04Å; D176-R180 VanDerWaalsContact O-N 3.1Å; E177-R180 PolarHBondContact O-N 2.88Å; E177-R180 VanDerWaalsContact O-N 3.14Å; E177-R180 IonicContact OE1-NH1 3.12Å; E177-R180 PolarHBondContact OE1-NH1 3.13Å; E177-R180 IonicContact OE2-CZ 2.66Å; E177-R180 IonicContact OE2-NH1 3.06Å; E177-R180 PolarHBondContact OE2-NH1 3.25Å; I178-R180 VanDerWaalsContact C-N 3.35Å; I178-R180 PolarHBondContact O-N 2.82Å
181	E	86.1	Confident	86.2	Confident	131 Å²	131	64.5 Å²	64.5	61%	0.612	34%	0.342	S	S	*	.	H	α-helix	trans	-75.9	-26.7	176.1	-74.2	-170.5	173.8	0	0	113.4	E177 I178 I179	E177-E181 WeakPolarHBondContact O-CG 3.33Å; E177-E181 PolarHBondContact O-N 2.95Å; I178-E181 PolarHBondContact O-N 3.33Å; I179-E181 PolarHBondContact O-N 3.46Å
182	V	84.9	Confident	86.6	Confident	16 Å²	16	65 Å²	65	10%	0.097	34%	0.337	C	S	.	.	H	α-helix	trans	-103.4	-32.6	-171.3	175.1	0	0	0	0	112.6	I178 I179 I184 I190 E194 M198	I178-V182 HydrophobicContact CG2-CG2 4.48Å; I178-V182 WeakPolarHBondContact O-CB 3.48Å; I178-V182 VanDerWaalsContact O-CG2 3.24Å; I178-V182 WeakPolarHBondContact O-CG2 3.19Å; I178-V182 PolarHBondContact O-N 3.36Å; I179-V182 PolarHBondContact O-N 3Å; I179-V182 VanDerWaalsContact O-N 3.08Å; V182-I184 WeakPolarHBondContact O-CG1 3.44Å; V182-I184 PolarHBondContact O-N 3.14Å; V182-I184 VanDerWaalsContact O-N 3.09Å; V182-I190 HydrophobicContact CB-CD1 4.39Å; V182-I190 HydrophobicContact CG1-CD1 4.1Å; V182-I190 HydrophobicContact CG1-CG1 4.15Å; V182-I190 HydrophobicContact CG1-CG2 3.86Å; V182-E194 HydrophobicContact CG1-CB 4Å; V182-M198 HydrophobicContact CG1-CB 3.82Å; V182-M198 HydrophobicContact CG1-CG 4.34Å; V182-M198 HydrophobicContact CG1-SD 4.29Å; V182-M198 HydrophobicContact CG2-CB 3.88Å; V182-M198 HydrophobicContact CG2-CG 3.64Å; V182-M198 HydrophobicContact CG2-SD 3.83Å
183	D	89.5	Confident	87	Confident	25 Å²	25	68.1 Å²	68.1	13%	0.134	35%	0.349	C	S	.	.			trans	-69.5	95.7	175.9	178.2	10.5	0	0	0	109.6	I179 G186 D187 G188	I179-D183 HydrophobicContact CG2-CB 4.27Å; I179-D183 WeakPolarHBondContact O-CB 3.24Å; I179-D183 PolarHBondContact O-N 2.88Å; D183-G186 VanDerWaalsContact CG-CA 3.49Å; D183-G186 WeakPolarHBondContact OD1-CA 3.4Å; D183-G186 PolarHBondContact OD1-N 2.91Å; D183-G186 VanDerWaalsContact OD2-C 3.29Å; D183-G186 VanDerWaalsContact OD2-CA 3.27Å; D183-G186 WeakPolarHBondContact OD2-CA 3.36Å; D183-D187 PolarHBondContact OD1-N 3.21Å; D183-D187 VanDerWaalsContact OD1-N 3.17Å; D183-D187 PolarHBondContact OD2-N 2.89Å; D183-G188 VanDerWaalsContact OD2-CA 3.28Å; D183-G188 WeakPolarHBondContact OD2-CA 3.41Å; D183-G188 PolarHBondContact OD2-N 3.25Å
184	I	87	Confident	87.2	Confident	106 Å²	106	62 Å²	62	54%	0.544	32%	0.321	S	S	.	.	S	Bend	trans	-81.7	-35.3	-175.5	-66.4	168.1	0	0	0	110	V182 E194 Q197	V182-I184 WeakPolarHBondContact O-CG1 3.44Å; V182-I184 PolarHBondContact O-N 3.14Å; V182-I184 VanDerWaalsContact O-N 3.09Å; I184-E194 HydrophobicContact CB-CG 4.43Å; I184-E194 HydrophobicContact CD1-CG 4.31Å; I184-E194 HydrophobicContact CG1-CG 4.4Å; I184-E194 PolarHBondContact N-OE1 3.22Å; I184-Q197 VanDerWaalsContact CD1-OE1 3.29Å
185	D	89.1	Confident	87.4	Confident	98 Å²	98	57.7 Å²	57.7	52%	0.524	30%	0.3	S	S	.	.	S	Bend	trans	-86.8	-13.8	-178.4	72.7	18.8	0	0	0	113.8	D187 E194	D185-D187 VanDerWaalsContact OD1-CB 3.32Å; D185-D187 WeakPolarHBondContact OD1-CB 3.28Å; D185-D187 PolarHBondContact OD1-N 2.92Å; D185-E194 PolarHBondContact N-OE1 2.86Å
186	G	88.5	Confident	87.4	Confident	59 Å²	59	59.6 Å²	59.6	61%	0.608	31%	0.312	S	S	*	.			trans	78	22.6	174.2	0	0	0	0	0	113.5	D183 G188	D183-G186 VanDerWaalsContact CG-CA 3.49Å; D183-G186 WeakPolarHBondContact OD1-CA 3.4Å; D183-G186 PolarHBondContact OD1-N 2.91Å; D183-G186 VanDerWaalsContact OD2-C 3.29Å; D183-G186 VanDerWaalsContact OD2-CA 3.27Å; D183-G186 WeakPolarHBondContact OD2-CA 3.36Å; G186-G188 VanDerWaalsContact C-N 3.26Å
187	D	89.6	Confident	87.3	Confident	68 Å²	68	60 Å²	60	36%	0.364	31%	0.311	S	S	.	.	S	Bend	trans	-80	-6.8	-179.1	91.1	-18.3	0	0	0	113.7	D183 D185 Q189	D183-D187 PolarHBondContact OD1-N 3.21Å; D183-D187 VanDerWaalsContact OD1-N 3.17Å; D183-D187 PolarHBondContact OD2-N 2.89Å; D185-D187 VanDerWaalsContact OD1-CB 3.32Å; D185-D187 WeakPolarHBondContact OD1-CB 3.28Å; D185-D187 PolarHBondContact OD1-N 2.92Å; D187-Q189 VanDerWaalsContact C-N 3.35Å; D187-Q189 WeakPolarHBondContact OD1-CA 3.45Å; D187-Q189 VanDerWaalsContact OD1-CB 3.31Å; D187-Q189 WeakPolarHBondContact OD1-CB 3.42Å; D187-Q189 PolarHBondContact OD1-N 3.36Å; D187-Q189 PolarHBondContact OD2-NE2 2.75Å; D187-Q189 VanDerWaalsContact OD2-NE2 3.1Å
188	G	86.6	Confident	87.1	Confident	38 Å²	38	58 Å²	58	39%	0.392	30%	0.302	S	S	.	.	S	Bend	trans	81.8	10.9	-179.5	0	0	0	0	0	114.1	D183 G186	D183-G188 VanDerWaalsContact OD2-CA 3.28Å; D183-G188 WeakPolarHBondContact OD2-CA 3.41Å; D183-G188 PolarHBondContact OD2-N 3.25Å; G186-G188 VanDerWaalsContact C-N 3.26Å
189	Q	89.3	Confident	86.8	Confident	56 Å²	56	60.1 Å²	60.1	26%	0.262	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	166.7	178.3	-51.2	174.3	105.9	0	0	109.2	F153 T155 D187	F153-Q189 HydrophobicContact CB-CB 4.07Å; F153-Q189 HydrophobicContact CD1-CB 4.39Å; T155-Q189 HydrophobicContact CG2-CG 4.38Å; D187-Q189 VanDerWaalsContact C-N 3.35Å; D187-Q189 WeakPolarHBondContact OD1-CA 3.45Å; D187-Q189 VanDerWaalsContact OD1-CB 3.31Å; D187-Q189 WeakPolarHBondContact OD1-CB 3.42Å; D187-Q189 PolarHBondContact OD1-N 3.36Å; D187-Q189 PolarHBondContact OD2-NE2 2.75Å; D187-Q189 VanDerWaalsContact OD2-NE2 3.1Å
190	I	90.5	Very high	86	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	111.2	177.8	-58.4	171.8	0	0	0	108.1	F153 I154 F159 I179 V182 E194 F195	F153-I190 WeakPolarHBondContact CA-O 3.41Å; I154-I190 HydrophobicContact CB-CB 4.27Å; I154-I190 PolarHBondContact N-O 3.39Å; I154-I190 PolarHBondContact O-N 2.85Å; F159-I190 HydrophobicContact CD2-CD1 4.4Å; I179-I190 HydrophobicContact CG1-CD1 4.16Å; V182-I190 HydrophobicContact CB-CD1 4.39Å; V182-I190 HydrophobicContact CG1-CD1 4.1Å; V182-I190 HydrophobicContact CG1-CG1 4.15Å; V182-I190 HydrophobicContact CG1-CG2 3.86Å; I190-E194 WeakPolarHBondContact CA-OE2 3.42Å; I190-E194 HydrophobicContact CG2-CB 3.81Å; I190-F195 HydrophobicContact CG2-CB 3.83Å; I190-F195 HydrophobicContact CG2-CD2 4.43Å
191	N	91.8	Very high	84.9	Confident	31 Å²	31	65.1 Å²	65.1	17%	0.166	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	170.4	172.2	71.3	52.7	0	0	0	111.3	F153 E193 E194 F195	F153-N191 HydrophobicContact CD1-CB 3.92Å; F153-N191 HydrophobicContact CE1-CB 3.94Å; N191-E193 VanDerWaalsContact C-N 3.31Å; N191-E193 PolarHBondContact O-N 3.06Å; N191-E193 WeakPolarHBondContact OD1-CB 3.43Å; N191-E193 PolarHBondContact OD1-N 3.04Å; N191-E194 PolarHBondContact N-OE2 2.86Å; N191-E194 PolarHBondContact ND2-OE2 3.01Å; N191-E194 PolarHBondContact O-N 3.3Å; N191-E194 PolarHBondContact OD1-N 3Å; N191-F195 PolarHBondContact O-N 2.92Å
192	Y	89.5	Confident	82.7	Confident	78 Å²	78	71.4 Å²	71.4	31%	0.306	37%	0.366	S	S	.	.	H	α-helix	trans	-59	-37.7	-177.4	177.7	-101.5	0	0	0	113.8	R140 F143 F195 V196	R140-Y192 HydrophobicContact CB-CE2 4.47Å; R140-Y192 HydrophobicContact CG-CE2 3.65Å; R140-Y192 WeakPolarHBondContact CG-OH 3.34Å; F143-Y192 HydrophobicContact CB-CD2 4.1Å; F143-Y192 HydrophobicContact CB-CE2 4.42Å; F143-Y192 HydrophobicContact CD1-CD2 4.17Å; F143-Y192 HydrophobicContact CD2-CD2 4.02Å; F143-Y192 AromaticContact CG-CD2 3.81Å; F143-Y192 HydrophobicContact CG-CD2 3.81Å; Y192-F195 PolarHBondContact O-N 3.14Å; Y192-V196 HydrophobicContact CD1-CG2 4.2Å; Y192-V196 HydrophobicContact CD2-CG2 4.39Å; Y192-V196 HydrophobicContact CE1-CG2 3.71Å; Y192-V196 HydrophobicContact CE2-CG2 3.92Å; Y192-V196 VanDerWaalsContact O-CG2 3.23Å; Y192-V196 WeakPolarHBondContact O-CG2 3.09Å; Y192-V196 PolarHBondContact O-N 3.33Å
193	E	87.9	Confident	82.6	Confident	143 Å²	143	74.2 Å²	74.2	67%	0.668	38%	0.379	S	S	*	.	H	α-helix	trans	-69.5	-38.4	-179.9	-64.4	-171.2	176.2	0	0	111.6	N191 V196 Q197	N191-E193 VanDerWaalsContact C-N 3.31Å; N191-E193 PolarHBondContact O-N 3.06Å; N191-E193 WeakPolarHBondContact OD1-CB 3.43Å; N191-E193 PolarHBondContact OD1-N 3.04Å; E193-V196 PolarHBondContact O-N 2.95Å; E193-Q197 WeakPolarHBondContact O-CG 3.34Å; E193-Q197 PolarHBondContact O-N 2.95Å
194	E	89.5	Confident	82.3	Confident	5 Å²	5	76.7 Å²	76.7	2%	0.023	39%	0.392	C	S	.	.	H	α-helix	trans	-66.3	-42.6	174.4	-69.5	168.4	153.6	0	0	111.4	V182 I184 D185 I190 N191 V196 Q197 M198	V182-E194 HydrophobicContact CG1-CB 4Å; I184-E194 HydrophobicContact CB-CG 4.43Å; I184-E194 HydrophobicContact CD1-CG 4.31Å; I184-E194 HydrophobicContact CG1-CG 4.4Å; I184-E194 PolarHBondContact N-OE1 3.22Å; D185-E194 PolarHBondContact N-OE1 2.86Å; I190-E194 WeakPolarHBondContact CA-OE2 3.42Å; I190-E194 HydrophobicContact CG2-CB 3.81Å; N191-E194 PolarHBondContact N-OE2 2.86Å; N191-E194 PolarHBondContact ND2-OE2 3.01Å; N191-E194 PolarHBondContact O-N 3.3Å; N191-E194 PolarHBondContact OD1-N 3Å; E194-V196 PolarHBondContact O-N 2.89Å; E194-Q197 WeakPolarHBondContact O-CB 3.47Å; E194-Q197 PolarHBondContact O-N 2.78Å; E194-M198 WeakPolarHBondContact O-CB 3.2Å; E194-M198 PolarHBondContact O-N 3.06Å
195	F	86.7	Confident	82	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-62.9	-40.6	175.3	-171.7	-99.9	0	0	0	112.4	I139 A142 F143 F146 I154 I190 N191 Y192 M198 M199	I139-F195 HydrophobicContact CG2-CD1 3.75Å; I139-F195 HydrophobicContact CG2-CE1 3.91Å; A142-F195 HydrophobicContact CB-CE1 4.02Å; A142-F195 HydrophobicContact CB-CZ 4.02Å; F143-F195 HydrophobicContact CB-CD1 3.97Å; F143-F195 HydrophobicContact CB-CE1 4.02Å; F143-F195 HydrophobicContact CD2-CB 3.62Å; F143-F195 AromaticContact CD2-CD1 3.76Å; F143-F195 HydrophobicContact CD2-CD1 3.76Å; F143-F195 HydrophobicContact CD2-CD2 4.26Å; F143-F195 HydrophobicContact CD2-CE1 4.45Å; F143-F195 AromaticContact CD2-CG 3.64Å; F143-F195 HydrophobicContact CD2-CG 3.64Å; F143-F195 HydrophobicContact CE2-CB 3.94Å; F143-F195 HydrophobicContact CE2-CG 4.35Å; F143-F195 HydrophobicContact CG-CD1 4.38Å; F146-F195 AromaticContact CD2-CE2 3.81Å; F146-F195 HydrophobicContact CD2-CE2 3.81Å; F146-F195 AromaticContact CD2-CZ 3.73Å; F146-F195 HydrophobicContact CD2-CZ 3.73Å; F146-F195 AromaticContact CE2-CE2 3.87Å; F146-F195 HydrophobicContact CE2-CE2 3.87Å; F146-F195 AromaticContact CE2-CZ 3.77Å; F146-F195 HydrophobicContact CE2-CZ 3.77Å; F146-F195 HydrophobicContact CG-CE2 4.38Å; F146-F195 HydrophobicContact CZ-CE2 4.43Å; I154-F195 HydrophobicContact CD1-CD2 3.51Å; I154-F195 HydrophobicContact CD1-CE2 3.78Å; I154-F195 HydrophobicContact CD1-CG 4.12Å; I190-F195 HydrophobicContact CG2-CB 3.83Å; I190-F195 HydrophobicContact CG2-CD2 4.43Å; N191-F195 PolarHBondContact O-N 2.92Å; Y192-F195 PolarHBondContact O-N 3.14Å; F195-M198 HydrophobicContact CD2-CE 3.48Å; F195-M198 VanDerWaalsContact CD2-CE 3.48Å; F195-M198 HydrophobicContact CE2-CE 3.46Å; F195-M198 VanDerWaalsContact CE2-CE 3.46Å; F195-M198 HydrophobicContact CG-CE 4.36Å; F195-M198 HydrophobicContact CZ-CE 4.32Å; F195-M198 WeakPolarHBondContact O-CB 3.43Å; F195-M198 PolarHBondContact O-N 3.42Å; F195-M199 HydrophobicContact CD1-CG 4.19Å; F195-M199 HydrophobicContact CE1-CE 3.93Å; F195-M199 HydrophobicContact CE1-CG 3.89Å; F195-M199 HydrophobicContact CE2-CE 3.87Å; F195-M199 HydrophobicContact CZ-CE 3.32Å; F195-M199 HydrophobicContact CZ-CG 4.16Å; F195-M199 WeakPolarHBondContact O-CB 3.43Å; F195-M199 WeakPolarHBondContact O-CG 3.21Å; F195-M199 PolarHBondContact O-N 3.34Å
196	V	84.5	Confident	81.6	Confident	40 Å²	40	73.8 Å²	73.8	24%	0.242	38%	0.375	C	S	.	.	H	α-helix	trans	-62.4	-44.3	173.3	170.9	0	0	0	0	110.4	I139 Y192 E193 E194 M198 M199 T200	I139-V196 HydrophobicContact CG2-CG2 3.73Å; Y192-V196 HydrophobicContact CD1-CG2 4.2Å; Y192-V196 HydrophobicContact CD2-CG2 4.39Å; Y192-V196 HydrophobicContact CE1-CG2 3.71Å; Y192-V196 HydrophobicContact CE2-CG2 3.92Å; Y192-V196 VanDerWaalsContact O-CG2 3.23Å; Y192-V196 WeakPolarHBondContact O-CG2 3.09Å; Y192-V196 PolarHBondContact O-N 3.33Å; E193-V196 PolarHBondContact O-N 2.95Å; E194-V196 PolarHBondContact O-N 2.89Å; V196-M198 VanDerWaalsContact C-N 3.33Å; V196-M198 PolarHBondContact O-N 2.95Å; V196-M199 PolarHBondContact O-N 2.78Å; V196-T200 HydrophobicContact CG1-CG2 4.07Å; V196-T200 VanDerWaalsContact O-CB 3.3Å; V196-T200 WeakPolarHBondContact O-CB 3.3Å; V196-T200 VanDerWaalsContact O-CG2 3.23Å; V196-T200 WeakPolarHBondContact O-CG2 3.13Å; V196-T200 PolarHBondContact O-N 2.93Å; V196-T200 PolarHBondContact O-OG1 2.68Å
197	Q	82.5	Confident	81.1	Confident	80 Å²	80	74.7 Å²	74.7	37%	0.374	36%	0.361	S	S	.	.	H	α-helix	trans	-61.6	-41.4	176.1	-75.3	-179.2	66.1	0	0	112.1	I184 E193 E194 T200 R201	I184-Q197 VanDerWaalsContact CD1-OE1 3.29Å; E193-Q197 WeakPolarHBondContact O-CG 3.34Å; E193-Q197 PolarHBondContact O-N 2.95Å; E194-Q197 WeakPolarHBondContact O-CB 3.47Å; E194-Q197 PolarHBondContact O-N 2.78Å; Q197-T200 PolarHBondContact O-N 2.86Å; Q197-T200 PolarHBondContact O-OG1 2.8Å; Q197-R201 WeakPolarHBondContact O-CB 3.38Å; Q197-R201 WeakPolarHBondContact O-CG 3.48Å; Q197-R201 PolarHBondContact O-N 3.43Å
198	M	81.3	Confident	80.6	Confident	44 Å²	44	75.1 Å²	75.1	22%	0.217	36%	0.361	C	S	.	.	H	α-helix	trans	-59.1	-48.2	174.3	-175.6	-172.2	74.3	0	0	111.5	F159 I178 V182 E194 F195 V196 T200	F159-M198 HydrophobicContact CE2-CE 4.31Å; F159-M198 HydrophobicContact CE2-SD 4.36Å; I178-M198 HydrophobicContact CG2-SD 4.35Å; V182-M198 HydrophobicContact CG1-CB 3.82Å; V182-M198 HydrophobicContact CG1-CG 4.34Å; V182-M198 HydrophobicContact CG1-SD 4.29Å; V182-M198 HydrophobicContact CG2-CB 3.88Å; V182-M198 HydrophobicContact CG2-CG 3.64Å; V182-M198 HydrophobicContact CG2-SD 3.83Å; E194-M198 WeakPolarHBondContact O-CB 3.2Å; E194-M198 PolarHBondContact O-N 3.06Å; F195-M198 HydrophobicContact CD2-CE 3.48Å; F195-M198 VanDerWaalsContact CD2-CE 3.48Å; F195-M198 HydrophobicContact CE2-CE 3.46Å; F195-M198 VanDerWaalsContact CE2-CE 3.46Å; F195-M198 HydrophobicContact CG-CE 4.36Å; F195-M198 HydrophobicContact CZ-CE 4.32Å; F195-M198 WeakPolarHBondContact O-CB 3.43Å; F195-M198 PolarHBondContact O-N 3.42Å; V196-M198 VanDerWaalsContact C-N 3.33Å; V196-M198 PolarHBondContact O-N 2.95Å; M198-T200 PolarHBondContact O-N 3.12Å
199	M	75.4	Confident	80.1	Confident	83 Å²	83	77.8 Å²	77.8	41%	0.409	36%	0.358	S	S	.	.	H	α-helix	trans	-73.5	-23.4	-178.6	-72.2	-68	-173.7	0	0	114	I139 F195 V196	I139-M199 HydrophobicContact CD1-CB 3.8Å; I139-M199 HydrophobicContact CG1-CB 3.84Å; I139-M199 HydrophobicContact CG1-CG 4.19Å; F195-M199 HydrophobicContact CD1-CG 4.19Å; F195-M199 HydrophobicContact CE1-CE 3.93Å; F195-M199 HydrophobicContact CE1-CG 3.89Å; F195-M199 HydrophobicContact CE2-CE 3.87Å; F195-M199 HydrophobicContact CZ-CE 3.32Å; F195-M199 HydrophobicContact CZ-CG 4.16Å; F195-M199 WeakPolarHBondContact O-CB 3.43Å; F195-M199 WeakPolarHBondContact O-CG 3.21Å; F195-M199 PolarHBondContact O-N 3.34Å; V196-M199 PolarHBondContact O-N 2.78Å
200	T	69.6	Low	79.4	Confident	86 Å²	86	79.5 Å²	79.5	53%	0.528	37%	0.366	S	S	.	.	H	α-helix	trans	-98	-12.3	-177	55.8	0	0	0	0	114.3	I139 V196 Q197 M198 K202	I139-T200 HydrophobicContact CD1-CG2 4.14Å; V196-T200 HydrophobicContact CG1-CG2 4.07Å; V196-T200 VanDerWaalsContact O-CB 3.3Å; V196-T200 WeakPolarHBondContact O-CB 3.3Å; V196-T200 VanDerWaalsContact O-CG2 3.23Å; V196-T200 WeakPolarHBondContact O-CG2 3.13Å; V196-T200 PolarHBondContact O-N 2.93Å; V196-T200 PolarHBondContact O-OG1 2.68Å; Q197-T200 PolarHBondContact O-N 2.86Å; Q197-T200 PolarHBondContact O-OG1 2.8Å; M198-T200 PolarHBondContact O-N 3.12Å; T200-K202 PolarHBondContact O-N 2.87Å
201	R	62.8	Low	78.5	Confident	181 Å²	181	86.1 Å²	86.1	68%	0.683	40%	0.396	S	S	*	.			trans	-70.5	90.2	169.4	-83.7	178.3	171.5	-179.5	3	109.8	Q197	Q197-R201 WeakPolarHBondContact O-CB 3.38Å; Q197-R201 WeakPolarHBondContact O-CG 3.48Å; Q197-R201 PolarHBondContact O-N 3.43Å
202	K	40.9	Very low	77.3	Confident	262 Å²	262	91.1 Å²	91.1	100%	1.139	42%	0.417	S	S	*	.			trans	-100.4	0	161.1	-76.8	-177.1	177.5	171.3	0	110.6	T200	T200-K202 PolarHBondContact O-N 2.87Å

Retrieved 202 of 202 residues in 78.8 ms (Link to these results)

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