A0A087YHK4_POEFO Loading...

UPF3B regulator of nonsense mediated mRNA decay

AlphaFold DB , UniProt , Accession A0A087YHK4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 453 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.8	Very low	43.8	Very low	234 Å²	234	167.2 Å²	167.2	100%	1.153	81%	0.806	S	S	*	*				0	155.3	0	-67.1	177	176.8	0	0	108.1
2	K	42.2	Very low	43.5	Very low	163 Å²	163	170 Å²	170	71%	0.709	82%	0.817	S	S	*	*			trans	24.8	141.1	144.6	-63.1	-174.3	159.5	-77.7	0	119.8
3	E	44.3	Very low	43.4	Very low	144 Å²	144	172 Å²	172	67%	0.673	82%	0.82	S	S	*	*			cis	-166.4	170.7	-8	-121.2	147.7	-159.6	0	0	108.5
4	D	42.3	Very low	42.8	Very low	139 Å²	139	175.6 Å²	175.6	74%	0.743	82%	0.821	S	S	*	*			trans	-53.2	147.7	-169.3	-39.9	-68.2	0	0	0	116.8
5	K	52.6	Low	42.5	Very low	204 Å²	204	172.6 Å²	172.6	89%	0.887	82%	0.819	S	S	*	*				-173.1	138.5	106.7	-99.9	154.9	-170.7	171.2	0	115.1
6	E	48.2	Very low	41.9	Very low	174 Å²	174	171.4 Å²	171.4	81%	0.813	81%	0.813	S	S	*	*			trans	-68.9	156.2	158.6	-49.6	168.9	90.8	0	0	110.3
7	N	39.6	Very low	41.8	Very low	151 Å²	151	170.5 Å²	170.5	81%	0.807	81%	0.812	S	S	*	*				-159.5	161.2	97.1	-143.9	-20	0	0	0	112.3
8	T	42.5	Very low	41.3	Very low	118 Å²	118	171.3 Å²	171.3	72%	0.724	81%	0.811	S	S	*	*			trans	-104.3	163.9	-173.9	53	0	0	0	0	113.3
9	R	42.2	Very low	40.9	Very low	217 Å²	217	168.7 Å²	168.7	82%	0.819	81%	0.812	S	S	*	*			trans	-68	148.5	-179.2	-162.5	-174.9	-162.1	171.8	7.5	111.7
10	P	46.9	Very low	40.5	Very low	118 Å²	118	169.4 Å²	169.4	77%	0.766	81%	0.814	S	S	*	*				-130.7	173	128.5	34.2	-23.9	0	0	0	113.5
11	K	41.7	Very low	40.1	Very low	177 Å²	177	169 Å²	169	77%	0.77	82%	0.817	S	S	*	*			trans	-94.8	144.8	175.9	-60.4	174.2	-179.1	177.1	0	109.5
12	E	41.2	Very low	39.9	Very low	201 Å²	201	161 Å²	161	94%	0.939	80%	0.795	S	S	*	*			trans	-63.3	142.8	174.1	-62.5	178.5	147.9	0	0	111.6
13	K	41.7	Very low	39.6	Very low	196 Å²	196	160.7 Å²	160.7	85%	0.852	80%	0.795	S	S	*	*			trans	-122.7	132	174	-86.1	-177.1	175	177.9	0	109.7
14	R	34.8	Very low	39.4	Very low	222 Å²	222	161.3 Å²	161.3	84%	0.838	80%	0.796	S	S	*	*			trans	30.7	99.9	138.7	-160.3	-174.9	-153.6	-163.8	6.6	115.8	E16	R14-E16 PolarHBondContact O-N 3.38Å
15	V	39.3	Very low	39.1	Very low	131 Å²	131	159.5 Å²	159.5	79%	0.794	79%	0.79	S	S	*	*			trans	-63	117.4	171.9	-179.4	0	0	0	0	110.3	I17	V15-I17 HydrophobicContact CG1-CG1 4.05Å
16	E	32.2	Very low	38.5	Very low	154 Å²	154	159 Å²	159	72%	0.72	79%	0.791	S	S	*	*			trans	-94.3	128.3	160.2	-66.2	-175.3	173.2	0	0	108.1	R14 K18	R14-E16 PolarHBondContact O-N 3.38Å; E16-K18 PolarHBondContact O-N 3.23Å
17	I	41	Very low	38.2	Very low	155 Å²	155	158.5 Å²	158.5	80%	0.795	79%	0.786	S	S	*	*			trans	-93.6	91.3	172.8	-58	-179.1	0	0	0	108.3	V15	V15-I17 HydrophobicContact CG1-CG1 4.05Å
18	K	31.3	Very low	38	Very low	185 Å²	185	156.5 Å²	156.5	80%	0.804	78%	0.782	S	S	*	*			trans	-108.4	138.5	155.1	-94.8	-177	170.7	-177.1	0	107.9	E16	E16-K18 PolarHBondContact O-N 3.23Å
19	C	33.5	Very low	38.2	Very low	122 Å²	122	159.2 Å²	159.2	82%	0.824	78%	0.784	S	S	*	*			trans	-122.3	132.9	162.7	-61.6	0	0	0	0	107.4
20	E	33	Very low	38.4	Very low	182 Å²	182	156.5 Å²	156.5	85%	0.85	78%	0.781	S	S	*	*			trans	-83.9	170.1	-176.8	-71	172.7	101	0	0	112.3
21	D	33.2	Very low	38.3	Very low	162 Å²	162	160.3 Å²	160.3	87%	0.866	79%	0.785	S	S	*	*			trans	-37	149.3	154	-58.7	-99.6	0	0	0	113.3
22	G	35.2	Very low	38.9	Very low	67 Å²	67	161.7 Å²	161.7	69%	0.691	79%	0.791	S	S	*	*			cis	129.4	148.1	3.8	0	0	0	0	0	110.9
23	E	34.7	Very low	39.7	Very low	155 Å²	155	159.3 Å²	159.3	72%	0.724	78%	0.78	S	S	*	*			trans	-175.6	137.5	152.8	-106.1	-169.5	179.9	0	0	113.3
24	K	39.4	Very low	40.9	Very low	158 Å²	158	152.1 Å²	152.1	69%	0.687	76%	0.758	S	S	*	*			trans	33.1	133.3	134.9	-56.8	162.8	-166.6	164.7	0	119.3
25	T	37.8	Very low	43.1	Very low	101 Å²	101	146.2 Å²	146.2	62%	0.62	74%	0.74	S	S	*	*			cis	-168.6	132.4	2.2	13.3	0	0	0	0	110.9	K27	T25-K27 HydrophobicContact CG2-CG 4.22Å
26	E	39.1	Very low	45.3	Very low	192 Å²	192	141.3 Å²	141.3	90%	0.897	71%	0.711	S	S	*	*			trans	-126.2	112.6	150.8	-92.1	-93.8	107	0	0	106.9	C28	E26-C28 VanDerWaalsContact C-N 3.34Å; E26-C28 PolarHBondContact O-N 3.35Å
27	K	41.3	Very low	48.1	Very low	165 Å²	165	134.7 Å²	134.7	72%	0.717	68%	0.68	S	S	*	*			trans	-86.9	73.3	-172.2	-71.2	171.5	-174.5	160	0	110.6	T25 K29	T25-K27 HydrophobicContact CG2-CG 4.22Å; K27-K29 PolarHBondContact O-N 2.85Å
28	C	37	Very low	50.5	Low	108 Å²	108	127.4 Å²	127.4	73%	0.73	64%	0.642	S	S	*	*			trans	-70.6	63.5	160.5	-158.7	0	0	0	0	110.2	E26 E30	E26-C28 VanDerWaalsContact C-N 3.34Å; E26-C28 PolarHBondContact O-N 3.35Å; C28-E30 PolarHBondContact O-N 2.93Å
29	K	44.9	Very low	53.4	Low	176 Å²	176	118.7 Å²	118.7	77%	0.765	61%	0.605	S	S	*	*			trans	-80.8	56.1	165.9	-72.4	-165.3	175	-168	0	109.1	K27 K31	K27-K29 PolarHBondContact O-N 2.85Å; K29-K31 PolarHBondContact O-N 3Å
30	E	46.7	Very low	56.2	Low	160 Å²	160	113 Å²	113	75%	0.748	57%	0.566	S	S	*	*			trans	-50.3	130.3	143.4	-72.9	-164.9	134.7	0	0	106.7	C28 K32	C28-E30 PolarHBondContact O-N 2.93Å; E30-K32 PolarHBondContact O-N 2.9Å
31	K	46	Very low	59	Low	197 Å²	197	109.1 Å²	109.1	86%	0.857	54%	0.544	S	S	*	.			trans	-67.4	105.5	179.1	-70.7	176.9	-179.1	178.3	0	106.8	K29 E33	K29-K31 PolarHBondContact O-N 3Å; K31-E33 PolarHBondContact O-N 3.28Å
32	K	53.8	Low	61.6	Low	207 Å²	207	105.9 Å²	105.9	90%	0.9	52%	0.519	S	S	*	.			trans	-65.9	64.3	156.8	-65.9	-170.9	179.8	-174.8	0	108.8	E30 A34	E30-K32 PolarHBondContact O-N 2.9Å; K32-A34 VanDerWaalsContact C-N 3.34Å; K32-A34 PolarHBondContact O-N 2.87Å
33	E	58.5	Low	64.3	Low	150 Å²	150	102.7 Å²	102.7	70%	0.701	49%	0.486	S	S	*	.			trans	-55.6	106.2	153.7	-176.1	171.5	-173.1	0	0	104.2	K31 M35	K31-E33 PolarHBondContact O-N 3.28Å; E33-M35 PolarHBondContact O-N 2.87Å
34	A	66.6	Low	66.9	Low	46 Å²	46	95.3 Å²	95.3	38%	0.38	45%	0.452	S	S	.	.			trans	-52.8	132.3	-165.9	0	0	0	0	0	109.7	K32 T36	K32-A34 VanDerWaalsContact C-N 3.34Å; K32-A34 PolarHBondContact O-N 2.87Å; A34-T36 HydrophobicContact CB-CG2 3.98Å; A34-T36 PolarHBondContact O-N 3.02Å
35	M	79.9	Confident	69.1	Low	97 Å²	97	89.2 Å²	89.2	48%	0.478	43%	0.429	S	S	.	.			trans	-79.8	68.7	-176.9	-69	-173.5	-62.6	0	0	108.7	E33 K37 F118 Q122	E33-M35 PolarHBondContact O-N 2.87Å; M35-K37 PolarHBondContact O-N 3.2Å; M35-F118 HydrophobicContact CB-CD1 3.57Å; M35-F118 HydrophobicContact CB-CE1 3.82Å; M35-F118 HydrophobicContact CB-CG 4.2Å; M35-F118 HydrophobicContact CE-CD2 4.08Å; M35-F118 HydrophobicContact CE-CE2 4.24Å; M35-F118 HydrophobicContact CE-CG 4.25Å; M35-F118 VanDerWaalsContact O-CD1 3.25Å; M35-F118 WeakPolarHBondContact O-CD1 3.2Å; M35-F118 WeakPolarHBondContact O-CE1 3.37Å; M35-Q122 VanDerWaalsContact C-OE1 3.25Å; M35-Q122 VanDerWaalsContact CA-OE1 3.3Å
36	T	86.1	Confident	71.2	Confident	29 Å²	29	86.4 Å²	86.4	18%	0.178	41%	0.413	C	S	.	.			trans	-71	-8.9	-172.6	57.4	0	0	0	0	114	A34 S85 F86 I92 Q122	A34-T36 HydrophobicContact CB-CG2 3.98Å; A34-T36 PolarHBondContact O-N 3.02Å; T36-S85 WeakPolarHBondContact O-CA 3.49Å; T36-F86 WeakPolarHBondContact CB-O 3.27Å; T36-F86 PolarHBondContact O-N 2.89Å; T36-I92 VanDerWaalsContact CA-CD1 3.46Å; T36-I92 WeakPolarHBondContact O-CD1 3.34Å; T36-Q122 VanDerWaalsContact N-NE2 3.11Å; T36-Q122 PolarHBondContact OG1-NE2 3.49Å
37	K	91	Very high	73.4	Confident	14 Å²	14	77.9 Å²	77.9	6%	0.061	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	117.9	-174.1	-170.4	-172.4	171.4	-164.6	0	110.5	M35 I84 A119 F121 Q122 K123 T124	M35-K37 PolarHBondContact O-N 3.2Å; K37-I84 CarbonylContact C-O 3.53Å; K37-I84 VanDerWaalsContact CA-O 3.28Å; K37-I84 WeakPolarHBondContact CA-O 3.32Å; K37-A119 HydrophobicContact CB-CB 4.25Å; K37-A119 HydrophobicContact CD-CB 3.98Å; K37-A119 HydrophobicContact CG-CB 3.82Å; K37-A119 VanDerWaalsContact O-CB 3.3Å; K37-A119 WeakPolarHBondContact O-CB 3.34Å; K37-A119 PolarHBondContact O-N 3.39Å; K37-F121 PolarHBondContact NZ-O 3.09Å; K37-Q122 VanDerWaalsContact CB-OE1 3.29Å; K37-Q122 VanDerWaalsContact CD-O 3.28Å; K37-Q122 WeakPolarHBondContact CD-O 3.17Å; K37-K123 PolarHBondContact NZ-O 2.94Å; K37-T124 HydrophobicContact CD-CG2 4.45Å
38	I	91.6	Very high	75.7	Confident	2 Å²	2	73 Å²	73	1%	0.01	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	166	173.1	63.9	165.2	0	0	0	111.4	I40 Y83 I84 F86 I92 F95 V116 E117	I38-I40 HydrophobicContact CD1-CG1 4.26Å; I38-Y83 WeakPolarHBondContact O-CA 3.14Å; I38-I84 HydrophobicContact CD1-CB 4.27Å; I38-I84 HydrophobicContact CG1-CB 3.88Å; I38-I84 PolarHBondContact N-O 2.75Å; I38-I84 PolarHBondContact O-N 2.75Å; I38-F86 HydrophobicContact CD1-CE2 3.71Å; I38-F86 HydrophobicContact CD1-CZ 4.42Å; I38-F86 HydrophobicContact CG1-CE2 3.92Å; I38-I92 HydrophobicContact CG2-CG1 4.46Å; I38-I92 HydrophobicContact CG2-CG2 3.67Å; I38-F95 HydrophobicContact CD1-CD1 3.42Å; I38-F95 VanDerWaalsContact CD1-CD1 3.42Å; I38-F95 HydrophobicContact CD1-CE1 3.29Å; I38-F95 HydrophobicContact CD1-CG 4.28Å; I38-F95 HydrophobicContact CD1-CZ 4.05Å; I38-V116 HydrophobicContact CD1-CG1 4.03Å; I38-E117 CarbonylContact C-O 3.51Å; I38-E117 VanDerWaalsContact CA-O 3.29Å; I38-E117 WeakPolarHBondContact CA-O 3.3Å; I38-E117 WeakPolarHBondContact CB-O 3.28Å
39	V	92.3	Very high	78.2	Confident	3 Å²	3	71.7 Å²	71.7	2%	0.018	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	123.6	163.1	62.4	0	0	0	0	109.3	R41 A82 Y83 E117 A119	V39-R41 HydrophobicContact CG1-CG 4.04Å; V39-R41 HydrophobicContact CG2-CG 3.88Å; V39-A82 CarbonylContact C-O 3.52Å; V39-A82 VanDerWaalsContact CA-O 3.29Å; V39-A82 WeakPolarHBondContact CA-O 3.48Å; V39-Y83 HydrophobicContact CB-CD1 3.74Å; V39-Y83 HydrophobicContact CB-CE1 3.7Å; V39-Y83 HydrophobicContact CG2-CD1 3.77Å; V39-Y83 HydrophobicContact CG2-CE1 3.48Å; V39-Y83 VanDerWaalsContact CG2-CE1 3.48Å; V39-Y83 HydrophobicContact CG2-CE2 4.46Å; V39-Y83 HydrophobicContact CG2-CG 4.38Å; V39-E117 HydrophobicContact CG1-CB 4.01Å; V39-E117 PolarHBondContact N-O 3.21Å; V39-E117 PolarHBondContact O-N 2.77Å; V39-E117 VanDerWaalsContact O-N 3.1Å; V39-A119 HydrophobicContact CB-CB 4.37Å
40	I	92.3	Very high	80.2	Confident	2 Å²	2	70 Å²	70	1%	0.01	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	121.9	167	-44	175.7	0	0	0	106.9	I38 L43 L52 L56 R81 A82 I84 F95 A114	I38-I40 HydrophobicContact CD1-CG1 4.26Å; I40-L43 HydrophobicContact CB-CD1 4.23Å; I40-L43 HydrophobicContact CG2-CD1 4.1Å; I40-L43 HydrophobicContact CG2-CD2 3.8Å; I40-L43 HydrophobicContact CG2-CG 3.93Å; I40-L52 HydrophobicContact CD1-CD1 4.39Å; I40-L56 HydrophobicContact CD1-CD1 3.75Å; I40-L56 HydrophobicContact CD1-CD2 4.34Å; I40-R81 VanDerWaalsContact O-CA 3.29Å; I40-R81 WeakPolarHBondContact O-CA 3.41Å; I40-A82 HydrophobicContact CB-CB 4.31Å; I40-A82 HydrophobicContact CD1-CB 4.3Å; I40-A82 HydrophobicContact CG1-CB 4.44Å; I40-A82 PolarHBondContact N-O 3Å; I40-A82 PolarHBondContact O-N 3.02Å; I40-I84 HydrophobicContact CD1-CD1 3.8Å; I40-F95 HydrophobicContact CD1-CE1 4.05Å; I40-F95 HydrophobicContact CD1-CZ 3.66Å; I40-F95 HydrophobicContact CG1-CE1 4.21Å; I40-F95 HydrophobicContact CG1-CZ 4.31Å; I40-A114 HydrophobicContact CG2-CB 4.13Å
41	R	92.1	Very high	82.2	Confident	100 Å²	100	65.5 Å²	65.5	38%	0.377	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	161.1	-177.8	-60.5	175.8	67.4	-157.2	-4.6	110.2	V39 L43 A114 I115 E117	V39-R41 HydrophobicContact CG1-CG 4.04Å; V39-R41 HydrophobicContact CG2-CG 3.88Å; R41-L43 VanDerWaalsContact C-N 3.3Å; R41-L43 PolarHBondContact O-N 3.16Å; R41-A114 WeakPolarHBondContact O-CA 3.41Å; R41-I115 HydrophobicContact CB-CB 4.49Å; R41-I115 PolarHBondContact N-O 2.98Å; R41-I115 PolarHBondContact O-N 3.37Å; R41-E117 WeakPolarHBondContact CD-OE2 3.46Å; R41-E117 IonicContact CZ-OE2 3.15Å; R41-E117 IonicContact NE-OE2 2.66Å; R41-E117 IonicContact NH1-OE1 3.17Å; R41-E117 PolarHBondContact NH1-OE1 2.88Å; R41-E117 IonicContact NH1-OE2 3.31Å; R41-E117 PolarHBondContact NH1-OE2 2.93Å
42	R	88.5	Confident	84.2	Confident	94 Å²	94	56.1 Å²	56.1	36%	0.355	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	64.8	23.9	179.9	-55.9	-177.7	64.5	-170.3	-3.8	115	F79 Y112 P113 I115	R42-F79 HydrophobicContact CB-CD1 4.14Å; R42-F79 HydrophobicContact CB-CE1 4.37Å; R42-Y112 WeakPolarHBondContact O-CB 3.49Å; R42-P113 WeakPolarHBondContact CB-O 3.41Å; R42-I115 HydrophobicContact CG-CD1 4.37Å
43	L	90.2	Very high	85.7	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	151.7	170.9	-64.3	174.2	0	0	0	110.7	I40 R41 L47 L52 F67 F79 A80 A82 F104 A114	I40-L43 HydrophobicContact CB-CD1 4.23Å; I40-L43 HydrophobicContact CG2-CD1 4.1Å; I40-L43 HydrophobicContact CG2-CD2 3.8Å; I40-L43 HydrophobicContact CG2-CG 3.93Å; R41-L43 VanDerWaalsContact C-N 3.3Å; R41-L43 PolarHBondContact O-N 3.16Å; L43-L47 HydrophobicContact CB-CD2 4.24Å; L43-L47 HydrophobicContact CD1-CD2 4.35Å; L43-L47 HydrophobicContact CD2-CD2 4.08Å; L43-L47 HydrophobicContact CG-CD2 4.47Å; L43-L52 HydrophobicContact CD1-CD1 4.06Å; L43-L52 HydrophobicContact CD1-CD2 3.79Å; L43-L52 HydrophobicContact CD2-CD1 4.15Å; L43-F67 HydrophobicContact CD1-CE2 4.01Å; L43-F79 WeakPolarHBondContact O-CA 3.42Å; L43-A80 HydrophobicContact CB-CB 3.92Å; L43-A80 PolarHBondContact N-O 2.82Å; L43-A80 PolarHBondContact O-N 3.3Å; L43-A82 HydrophobicContact CD1-CB 4.06Å; L43-F104 HydrophobicContact CD2-CD1 4.15Å; L43-F104 HydrophobicContact CD2-CD2 3.65Å; L43-F104 HydrophobicContact CD2-CE1 3.87Å; L43-F104 HydrophobicContact CD2-CE2 3.36Å; L43-F104 HydrophobicContact CD2-CG 4.06Å; L43-F104 HydrophobicContact CD2-CZ 3.48Å; L43-F104 VanDerWaalsContact CD2-CZ 3.48Å; L43-A114 HydrophobicContact CD2-CB 4.3Å
44	P	89.5	Confident	87	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.006	24%	0.239	C	C	.	.			trans	-57.5	144.8	177	-21.1	30.1	0	0	0	111.8	S46 L47 A80 F104 D106 Y112	P44-S46 PolarHBondContact O-N 2.91Å; P44-L47 HydrophobicContact CB-CB 4.22Å; P44-L47 HydrophobicContact CG-CB 4.39Å; P44-L47 WeakPolarHBondContact O-CB 3.33Å; P44-L47 PolarHBondContact O-N 3.08Å; P44-A80 VanDerWaalsContact O-CB 3.3Å; P44-A80 WeakPolarHBondContact O-CB 3.46Å; P44-F104 VanDerWaalsContact CD-CB 3.48Å; P44-F104 HydrophobicContact CG-CB 3.49Å; P44-F104 VanDerWaalsContact CG-CB 3.49Å; P44-F104 HydrophobicContact CG-CG 4.41Å; P44-D106 HydrophobicContact CB-CB 4.16Å; P44-Y112 HydrophobicContact CB-CD2 3.87Å; P44-Y112 HydrophobicContact CB-CE2 4.2Å; P44-Y112 HydrophobicContact CB-CG 4.24Å; P44-Y112 HydrophobicContact CG-CD2 3.87Å; P44-Y112 HydrophobicContact CG-CG 4.02Å
45	P	85.1	Confident	87.8	Confident	30 Å²	30	49.9 Å²	49.9	20%	0.195	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-17.5	176.6	30.1	-35.1	0	0	0	113.1	L78	P45-L78 HydrophobicContact CB-CB 4.18Å; P45-L78 WeakPolarHBondContact CB-O 3.35Å; P45-L78 HydrophobicContact CG-CB 4.49Å; P45-L78 WeakPolarHBondContact CG-O 3.2Å
46	S	83.1	Confident	87.8	Confident	41 Å²	41	45.3 Å²	45.3	29%	0.287	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-21.9	174.4	66.6	0	0	0	0	114	P44	P44-S46 PolarHBondContact O-N 2.91Å
47	L	86	Confident	87.4	Confident	13 Å²	13	50.6 Å²	50.6	7%	0.068	24%	0.239	C	C	.	.			trans	-66.5	136.6	-170.6	-168.1	71.8	0	0	0	110.4	L43 P44 E51 L52 F67 F104	L43-L47 HydrophobicContact CB-CD2 4.24Å; L43-L47 HydrophobicContact CD1-CD2 4.35Å; L43-L47 HydrophobicContact CD2-CD2 4.08Å; L43-L47 HydrophobicContact CG-CD2 4.47Å; P44-L47 HydrophobicContact CB-CB 4.22Å; P44-L47 HydrophobicContact CG-CB 4.39Å; P44-L47 WeakPolarHBondContact O-CB 3.33Å; P44-L47 PolarHBondContact O-N 3.08Å; L47-E51 HydrophobicContact CD1-CB 3.69Å; L47-L52 HydrophobicContact CD2-CB 4.01Å; L47-L52 HydrophobicContact CD2-CD1 4.07Å; L47-F67 HydrophobicContact CB-CZ 4.48Å; L47-F67 WeakPolarHBondContact O-CE1 3.46Å; L47-F67 WeakPolarHBondContact O-CZ 3.45Å; L47-F104 HydrophobicContact CD2-CD1 3.92Å; L47-F104 HydrophobicContact CD2-CE1 3.96Å
48	T	89.8	Confident	86.4	Confident	62 Å²	62	55.1 Å²	55.1	38%	0.38	27%	0.27	S	S	.	.			trans	-90.7	168.3	173.6	65.5	0	0	0	0	111.5	E50 E51 L52	T48-E50 VanDerWaalsContact C-N 3.26Å; T48-E50 PolarHBondContact O-N 2.79Å; T48-E51 VanDerWaalsContact CB-OE2 3.29Å; T48-E51 WeakPolarHBondContact CB-OE2 3.44Å; T48-E51 WeakPolarHBondContact CG2-OE2 3.34Å; T48-E51 PolarHBondContact N-OE2 3.18Å; T48-E51 VanDerWaalsContact OG1-CD 3.25Å; T48-E51 VanDerWaalsContact OG1-CG 3.28Å; T48-E51 WeakPolarHBondContact OG1-CG 3.23Å; T48-E51 PolarHBondContact OG1-N 2.87Å; T48-E51 PolarHBondContact OG1-OE2 3.23Å; T48-L52 PolarHBondContact O-N 3.11Å
49	K	87.8	Confident	85.1	Confident	81 Å²	81	57.7 Å²	57.7	35%	0.352	28%	0.283	S	S	.	.	H	α-helix	trans	-62.6	-36.1	171.9	177.4	179.4	169.4	-72.3	0	111.9	E53 F67	K49-E53 WeakPolarHBondContact CE-OE1 3.4Å; K49-E53 IonicContact NZ-OE1 2.77Å; K49-E53 PolarHBondContact NZ-OE1 3.41Å; K49-E53 IonicContact NZ-OE2 2.91Å; K49-E53 PolarHBondContact NZ-OE2 2.98Å; K49-E53 WeakPolarHBondContact O-CG 3.32Å; K49-E53 PolarHBondContact O-N 2.83Å; K49-F67 HydrophobicContact CB-CB 3.89Å; K49-F67 HydrophobicContact CB-CD1 4.24Å; K49-F67 HydrophobicContact CB-CG 4.09Å; K49-F67 HydrophobicContact CD-CB 4.41Å; K49-F67 HydrophobicContact CG-CB 4.07Å
50	E	87.4	Confident	84	Confident	141 Å²	141	59.7 Å²	59.7	66%	0.659	30%	0.296	S	S	*	.	H	α-helix	trans	-76.6	-47.5	-171.6	-71.5	161	-159.9	0	0	110.9	T48 L52 E53 E54	T48-E50 VanDerWaalsContact C-N 3.26Å; T48-E50 PolarHBondContact O-N 2.79Å; E50-L52 PolarHBondContact O-N 2.99Å; E50-E53 PolarHBondContact O-N 3.48Å; E50-E54 WeakPolarHBondContact O-CG 3.48Å; E50-E54 PolarHBondContact O-N 3.36Å
51	E	88.3	Confident	82.7	Confident	65 Å²	65	65.7 Å²	65.7	30%	0.304	32%	0.324	S	S	.	.	H	α-helix	trans	-57.8	-34.6	172	-66.3	158.6	136.6	0	0	112.2	L47 T48 Q55	L47-E51 HydrophobicContact CD1-CB 3.69Å; T48-E51 VanDerWaalsContact CB-OE2 3.29Å; T48-E51 WeakPolarHBondContact CB-OE2 3.44Å; T48-E51 WeakPolarHBondContact CG2-OE2 3.34Å; T48-E51 PolarHBondContact N-OE2 3.18Å; T48-E51 VanDerWaalsContact OG1-CD 3.25Å; T48-E51 VanDerWaalsContact OG1-CG 3.28Å; T48-E51 WeakPolarHBondContact OG1-CG 3.23Å; T48-E51 PolarHBondContact OG1-N 2.87Å; T48-E51 PolarHBondContact OG1-OE2 3.23Å; E51-Q55 WeakPolarHBondContact O-CB 3.34Å; E51-Q55 VanDerWaalsContact O-CG 3.29Å; E51-Q55 WeakPolarHBondContact O-CG 3.43Å; E51-Q55 PolarHBondContact O-N 2.79Å
52	L	87.6	Confident	82	Confident	0 Å²	0	63 Å²	63	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-68.7	-47.7	172.9	-178.2	67	0	0	0	111.3	I40 L43 L47 T48 E50 E54 Q55 L56 M65 F67 A82 F104	I40-L52 HydrophobicContact CD1-CD1 4.39Å; L43-L52 HydrophobicContact CD1-CD1 4.06Å; L43-L52 HydrophobicContact CD1-CD2 3.79Å; L43-L52 HydrophobicContact CD2-CD1 4.15Å; L47-L52 HydrophobicContact CD2-CB 4.01Å; L47-L52 HydrophobicContact CD2-CD1 4.07Å; T48-L52 PolarHBondContact O-N 3.11Å; E50-L52 PolarHBondContact O-N 2.99Å; L52-E54 PolarHBondContact O-N 3.29Å; L52-Q55 PolarHBondContact O-N 3.47Å; L52-L56 HydrophobicContact CD1-CD1 3.95Å; L52-L56 HydrophobicContact CD1-CD2 4.3Å; L52-L56 HydrophobicContact CD1-CG 3.96Å; L52-L56 HydrophobicContact CG-CD1 3.92Å; L52-L56 HydrophobicContact CG-CG 4.24Å; L52-L56 WeakPolarHBondContact O-CB 2.98Å; L52-L56 WeakPolarHBondContact O-CG 3.29Å; L52-L56 PolarHBondContact O-N 2.97Å; L52-M65 HydrophobicContact CD2-CE 3.61Å; L52-M65 HydrophobicContact CG-CE 4Å; L52-F67 HydrophobicContact CD2-CD2 3.79Å; L52-F67 HydrophobicContact CD2-CE2 3.97Å; L52-A82 HydrophobicContact CD2-CB 3.45Å; L52-A82 VanDerWaalsContact CD2-CB 3.45Å; L52-F104 HydrophobicContact CD1-CE1 3.96Å; L52-F104 HydrophobicContact CD1-CZ 3.95Å
53	E	85.6	Confident	81.5	Confident	59 Å²	59	63.5 Å²	63.5	28%	0.276	33%	0.329	S	S	.	.	H	α-helix	trans	-61.4	-33	178	-79	174.2	157.8	0	0	112.6	K49 E50 Q57 M65	K49-E53 WeakPolarHBondContact CE-OE1 3.4Å; K49-E53 IonicContact NZ-OE1 2.77Å; K49-E53 PolarHBondContact NZ-OE1 3.41Å; K49-E53 IonicContact NZ-OE2 2.91Å; K49-E53 PolarHBondContact NZ-OE2 2.98Å; K49-E53 WeakPolarHBondContact O-CG 3.32Å; K49-E53 PolarHBondContact O-N 2.83Å; E50-E53 PolarHBondContact O-N 3.48Å; E53-Q57 VanDerWaalsContact O-CG 3.29Å; E53-Q57 WeakPolarHBondContact O-CG 3.16Å; E53-M65 HydrophobicContact CG-CE 3.54Å; E53-M65 HydrophobicContact CG-SD 3.66Å
54	E	86.5	Confident	81	Confident	135 Å²	135	65.2 Å²	65.2	63%	0.631	34%	0.335	S	S	*	.	H	α-helix	trans	-67.2	-52.9	170.7	-71.6	-177.2	166.3	0	0	112.5	E50 L52 L56 Q57	E50-E54 WeakPolarHBondContact O-CG 3.48Å; E50-E54 PolarHBondContact O-N 3.36Å; L52-E54 PolarHBondContact O-N 3.29Å; E54-L56 PolarHBondContact O-N 2.91Å; E54-Q57 WeakPolarHBondContact O-CB 3.29Å; E54-Q57 WeakPolarHBondContact O-CG 3.25Å; E54-Q57 PolarHBondContact O-N 3.07Å
55	Q	82.9	Confident	80.8	Confident	78 Å²	78	66.3 Å²	66.3	36%	0.364	34%	0.341	S	S	.	.	H	α-helix	trans	-66.1	-21.4	-177.9	-72.5	176.5	34	0	0	113.5	E51 L52 F99	E51-Q55 WeakPolarHBondContact O-CB 3.34Å; E51-Q55 VanDerWaalsContact O-CG 3.29Å; E51-Q55 WeakPolarHBondContact O-CG 3.43Å; E51-Q55 PolarHBondContact O-N 2.79Å; L52-Q55 PolarHBondContact O-N 3.47Å; Q55-F99 WeakPolarHBondContact O-CE1 3.43Å
56	L	81.2	Confident	80.9	Confident	1 Å²	1	67 Å²	67	1%	0.005	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-8	173.5	-63.5	-176.2	0	0	0	113.7	I40 L52 E54 P58 L59 I84 F95 F99	I40-L56 HydrophobicContact CD1-CD1 3.75Å; I40-L56 HydrophobicContact CD1-CD2 4.34Å; L52-L56 HydrophobicContact CD1-CD1 3.95Å; L52-L56 HydrophobicContact CD1-CD2 4.3Å; L52-L56 HydrophobicContact CD1-CG 3.96Å; L52-L56 HydrophobicContact CG-CD1 3.92Å; L52-L56 HydrophobicContact CG-CG 4.24Å; L52-L56 WeakPolarHBondContact O-CB 2.98Å; L52-L56 WeakPolarHBondContact O-CG 3.29Å; L52-L56 PolarHBondContact O-N 2.97Å; E54-L56 PolarHBondContact O-N 2.91Å; L56-P58 CarbonylContact O-C 3.57Å; L56-L59 HydrophobicContact CB-CD1 3.91Å; L56-L59 HydrophobicContact CB-CD2 3.91Å; L56-L59 HydrophobicContact CB-CG 3.76Å; L56-L59 HydrophobicContact CD1-CD1 4.49Å; L56-L59 WeakPolarHBondContact O-CG 3.42Å; L56-L59 PolarHBondContact O-N 3.05Å; L56-I84 HydrophobicContact CD1-CD1 3.53Å; L56-F95 HydrophobicContact CB-CE2 4.32Å; L56-F95 HydrophobicContact CD1-CE2 3.91Å; L56-F95 HydrophobicContact CD1-CZ 3.85Å; L56-F95 HydrophobicContact CD2-CE2 3.65Å; L56-F95 HydrophobicContact CD2-CZ 3.52Å; L56-F95 HydrophobicContact CG-CE2 4.14Å; L56-F95 HydrophobicContact CG-CZ 4.24Å; L56-F99 HydrophobicContact CB-CZ 4.47Å; L56-F99 HydrophobicContact CD2-CD1 3.65Å; L56-F99 HydrophobicContact CD2-CD2 3.92Å; L56-F99 HydrophobicContact CD2-CE1 3.63Å; L56-F99 HydrophobicContact CD2-CE2 3.9Å; L56-F99 HydrophobicContact CD2-CG 3.8Å; L56-F99 HydrophobicContact CD2-CZ 3.76Å
57	Q	75.9	Confident	81.2	Confident	140 Å²	140	66.7 Å²	66.7	65%	0.654	34%	0.335	S	S	*	.			trans	-65.9	136	175.5	-60.6	-167.6	13.4	0	0	111.1	E53 E54	E53-Q57 VanDerWaalsContact O-CG 3.29Å; E53-Q57 WeakPolarHBondContact O-CG 3.16Å; E54-Q57 WeakPolarHBondContact O-CB 3.29Å; E54-Q57 WeakPolarHBondContact O-CG 3.25Å; E54-Q57 PolarHBondContact O-N 3.07Å
58	P	71.4	Confident	81.1	Confident	110 Å²	110	71 Å²	71	71%	0.714	35%	0.353	S	S	*	.	S	Bend	cis	-82.8	113.7	3.9	32	-33.7	0	0	0	113.1	L56	L56-P58 CarbonylContact O-C 3.57Å
59	L	64.6	Low	80.7	Confident	55 Å²	55	70.9 Å²	70.9	29%	0.288	36%	0.355	S	S	.	.			trans	-83.1	131.3	169.7	-83.5	178.1	0	0	0	110.4	L56 V62 F86 F95	L56-L59 HydrophobicContact CB-CD1 3.91Å; L56-L59 HydrophobicContact CB-CD2 3.91Å; L56-L59 HydrophobicContact CB-CG 3.76Å; L56-L59 HydrophobicContact CD1-CD1 4.49Å; L56-L59 WeakPolarHBondContact O-CG 3.42Å; L56-L59 PolarHBondContact O-N 3.05Å; L59-V62 HydrophobicContact CD1-CG2 4.41Å; L59-F86 HydrophobicContact CD2-CE1 4.27Å; L59-F86 HydrophobicContact CD2-CZ 4.3Å; L59-F95 HydrophobicContact CD2-CD2 3.98Å; L59-F95 HydrophobicContact CD2-CE2 3.76Å
60	P	67.4	Low	79.9	Confident	46 Å²	46	71 Å²	71	30%	0.299	36%	0.359	S	S	.	.			trans	-71.9	178.9	161.9	30.6	-32.2	0	0	0	111	V62 F86 D91	P60-V62 PolarHBondContact O-N 2.82Å; P60-F86 HydrophobicContact CG-CD1 3.99Å; P60-F86 HydrophobicContact CG-CE1 3.85Å; P60-D91 HydrophobicContact CB-CB 4.3Å; P60-D91 WeakPolarHBondContact CB-OD1 3.46Å; P60-D91 HydrophobicContact CG-CB 3.58Å; P60-D91 WeakPolarHBondContact CG-OD1 3.28Å
61	E	66.3	Low	79	Confident	127 Å²	127	67.3 Å²	67.3	59%	0.593	35%	0.345	S	S	*	.			trans	-69.4	104.6	-165.1	-151.9	-167.4	170.1	0	0	113.7	K87	E61-K87 HydrophobicContact CB-CD 4.39Å; E61-K87 VanDerWaalsContact CD-CE 3.47Å; E61-K87 HydrophobicContact CG-CD 4.45Å; E61-K87 PolarHBondContact O-N 2.84Å; E61-K87 IonicContact OE1-NZ 3.86Å; E61-K87 PolarHBondContact OE1-NZ 2.79Å; E61-K87 WeakPolarHBondContact OE2-CD 3.48Å; E61-K87 WeakPolarHBondContact OE2-CE 3.29Å; E61-K87 IonicContact OE2-NZ 2.65Å; E61-K87 PolarHBondContact OE2-NZ 3.2Å
62	V	76.1	Confident	78.1	Confident	44 Å²	44	69.6 Å²	69.6	27%	0.267	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	127.8	178.5	172.6	0	0	0	0	111.2	L59 P60 M65 I84 F86	L59-V62 HydrophobicContact CD1-CG2 4.41Å; P60-V62 PolarHBondContact O-N 2.82Å; V62-M65 HydrophobicContact CG1-CB 4.15Å; V62-I84 HydrophobicContact CB-CG2 4.36Å; V62-I84 HydrophobicContact CG1-CG2 3.72Å; V62-I84 HydrophobicContact CG2-CG2 3.63Å; V62-F86 HydrophobicContact CG2-CD1 4.32Å; V62-F86 HydrophobicContact CG2-CE1 4.13Å
63	D	78.3	Confident	77.2	Confident	105 Å²	105	74.2 Å²	74.2	56%	0.561	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	-30.4	176.6	-176.1	69.7	0	0	0	112.6	S85 K87	D63-S85 PolarHBondContact N-O 3.28Å; D63-K87 HydrophobicContact CB-CG 4.38Å
64	Y	81	Confident	76.4	Confident	35 Å²	35	75 Å²	75	14%	0.137	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	125.4	-179.1	174.7	-102.8	0	0	0	111.8	E66 I84 S85 T124	Y64-E66 HydrophobicContact CE1-CB 3.91Å; Y64-E66 HydrophobicContact CE2-CB 4.44Å; Y64-E66 WeakPolarHBondContact CE2-OE2 3.48Å; Y64-E66 VanDerWaalsContact CZ-OE2 3.27Å; Y64-E66 WeakPolarHBondContact OH-CB 3.45Å; Y64-E66 PolarHBondContact OH-OE2 2.71Å; Y64-I84 CarbonylContact O-C 3.6Å; Y64-I84 WeakPolarHBondContact O-CA 3.39Å; Y64-S85 PolarHBondContact N-O 3.06Å; Y64-S85 PolarHBondContact O-N 2.91Å; Y64-T124 HydrophobicContact CD1-CG2 3.84Å; Y64-T124 HydrophobicContact CG-CG2 4.06Å
65	M	84.9	Confident	75.4	Confident	24 Å²	24	75.9 Å²	75.9	12%	0.118	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	133.9	169.8	-176.1	157	172.5	0	0	110.5	L52 E53 V62 Y83 I84	L52-M65 HydrophobicContact CD2-CE 3.61Å; L52-M65 HydrophobicContact CG-CE 4Å; E53-M65 HydrophobicContact CG-CE 3.54Å; E53-M65 HydrophobicContact CG-SD 3.66Å; V62-M65 HydrophobicContact CG1-CB 4.15Å; M65-Y83 WeakPolarHBondContact CA-O 3.29Å; M65-I84 HydrophobicContact CE-CD1 4.23Å; M65-I84 HydrophobicContact CG-CG1 4.15Å; M65-I84 HydrophobicContact SD-CD1 4Å; M65-I84 HydrophobicContact SD-CG1 4.09Å
66	E	86.8	Confident	75.1	Confident	46 Å²	46	76.7 Å²	76.7	22%	0.215	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	123.2	175.8	-159.4	86.5	-107.5	0	0	110	Y64 F68 Y83 K127	Y64-E66 HydrophobicContact CE1-CB 3.91Å; Y64-E66 HydrophobicContact CE2-CB 4.44Å; Y64-E66 WeakPolarHBondContact CE2-OE2 3.48Å; Y64-E66 VanDerWaalsContact CZ-OE2 3.27Å; Y64-E66 WeakPolarHBondContact OH-CB 3.45Å; Y64-E66 PolarHBondContact OH-OE2 2.71Å; E66-F68 HydrophobicContact CB-CE2 3.95Å; E66-F68 HydrophobicContact CG-CD2 4.34Å; E66-F68 HydrophobicContact CG-CE2 3.53Å; E66-F68 HydrophobicContact CG-CZ 3.91Å; E66-Y83 PolarHBondContact N-O 3.3Å; E66-Y83 PolarHBondContact O-N 2.65Å; E66-K127 WeakPolarHBondContact OE1-CE 3.47Å; E66-K127 IonicContact OE1-NZ 3.8Å; E66-K127 PolarHBondContact OE1-NZ 2.91Å; E66-K127 WeakPolarHBondContact OE2-CE 3.16Å; E66-K127 IonicContact OE2-NZ 3.15Å; E66-K127 PolarHBondContact OE2-NZ 2.71Å
67	F	88.8	Confident	74.5	Confident	34 Å²	34	82.6 Å²	82.6	15%	0.149	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	132.8	-179.2	-173.7	-104.6	0	0	0	110.5	L43 L47 K49 L52 A80 A82	L43-F67 HydrophobicContact CD1-CE2 4.01Å; L47-F67 HydrophobicContact CB-CZ 4.48Å; L47-F67 WeakPolarHBondContact O-CE1 3.46Å; L47-F67 WeakPolarHBondContact O-CZ 3.45Å; K49-F67 HydrophobicContact CB-CB 3.89Å; K49-F67 HydrophobicContact CB-CD1 4.24Å; K49-F67 HydrophobicContact CB-CG 4.09Å; K49-F67 HydrophobicContact CD-CB 4.41Å; K49-F67 HydrophobicContact CG-CB 4.07Å; L52-F67 HydrophobicContact CD2-CD2 3.79Å; L52-F67 HydrophobicContact CD2-CE2 3.97Å; F67-A80 HydrophobicContact CE1-CB 4.41Å; F67-A80 HydrophobicContact CE2-CB 4.06Å; F67-A80 HydrophobicContact CZ-CB 3.6Å; F67-A82 HydrophobicContact CD2-CB 4.11Å
68	F	85.4	Confident	74.8	Confident	102 Å²	102	78.5 Å²	78.5	45%	0.447	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	99.8	177.5	-69.6	-96.6	0	0	0	108.6	E66 A80 R81 Y83	E66-F68 HydrophobicContact CB-CE2 3.95Å; E66-F68 HydrophobicContact CG-CD2 4.34Å; E66-F68 HydrophobicContact CG-CE2 3.53Å; E66-F68 HydrophobicContact CG-CZ 3.91Å; F68-A80 WeakPolarHBondContact O-CA 3.29Å; F68-R81 PolarHBondContact N-O 3.22Å; F68-R81 PolarHBondContact O-N 2.98Å; F68-Y83 AromaticContact CD2-CD2 3.63Å; F68-Y83 HydrophobicContact CD2-CD2 3.63Å; F68-Y83 AromaticContact CD2-CE2 3.73Å; F68-Y83 HydrophobicContact CD2-CE2 3.73Å; F68-Y83 AromaticContact CE2-CD2 3.55Å; F68-Y83 HydrophobicContact CE2-CD2 3.55Å; F68-Y83 AromaticContact CE2-CE2 3.78Å; F68-Y83 HydrophobicContact CE2-CE2 3.78Å
69	S	80.7	Confident	75.5	Confident	61 Å²	61	75.5 Å²	75.5	43%	0.427	40%	0.4	S	S	.	.			trans	-73.2	158	171.5	61.7	0	0	0	0	111.3	D71	S69-D71 PolarHBondContact O-N 2.78Å; S69-D71 VanDerWaalsContact O-N 3.09Å
70	N	70.2	Confident	76.7	Confident	82 Å²	82	72.9 Å²	72.9	44%	0.439	39%	0.387	S	S	.	.			trans	25.8	68	154.7	67.4	-12.2	0	0	0	119.3	T72	N70-T72 VanDerWaalsContact C-N 3.3Å; N70-T72 PolarHBondContact O-N 3.1Å
71	D	69.4	Low	77.8	Confident	65 Å²	65	73.6 Å²	73.6	35%	0.348	38%	0.383	S	S	.	.			trans	-59.5	87.5	160.4	-92	-36.2	0	0	0	110.2	S69 S73 L74 R81	S69-D71 PolarHBondContact O-N 2.78Å; S69-D71 VanDerWaalsContact O-N 3.09Å; D71-S73 PolarHBondContact O-N 2.96Å; D71-S73 VanDerWaalsContact O-N 3.13Å; D71-L74 HydrophobicContact CB-CB 4.24Å; D71-L74 HydrophobicContact CB-CD1 3.73Å; D71-L74 HydrophobicContact CB-CG 3.92Å; D71-L74 PolarHBondContact O-N 2.86Å; D71-R81 IonicContact OD2-CZ 3.55Å; D71-R81 IonicContact OD2-NH1 2.71Å; D71-R81 PolarHBondContact OD2-NH1 3.4Å
72	T	68.3	Low	79	Confident	113 Å²	113	67.5 Å²	67.5	69%	0.693	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-62.7	-20.4	-179.4	54.3	0	0	0	0	113.3	N70 L74	N70-T72 VanDerWaalsContact C-N 3.3Å; N70-T72 PolarHBondContact O-N 3.1Å; T72-L74 PolarHBondContact O-N 3.45Å
73	S	69	Low	79.7	Confident	97 Å²	97	68.5 Å²	68.5	68%	0.678	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-65.8	-17.9	171.7	55.7	0	0	0	0	114.3	D71	D71-S73 PolarHBondContact O-N 2.96Å; D71-S73 VanDerWaalsContact O-N 3.13Å
74	L	68.7	Low	80.3	Confident	75 Å²	75	63.5 Å²	63.5	39%	0.393	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-104.2	15.4	-176.1	-61.4	180	0	0	0	113.6	D71 T72 H77	D71-L74 HydrophobicContact CB-CB 4.24Å; D71-L74 HydrophobicContact CB-CD1 3.73Å; D71-L74 HydrophobicContact CB-CG 3.92Å; D71-L74 PolarHBondContact O-N 2.86Å; T72-L74 PolarHBondContact O-N 3.45Å; L74-H77 CarbonylContact O-C 3.4Å; L74-H77 WeakPolarHBondContact O-CA 3.34Å; L74-H77 PolarHBondContact O-N 3.47Å
75	F	66.5	Low	80.7	Confident	154 Å²	154	62 Å²	62	68%	0.675	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	130.3	171.8	-173.8	-87.7	0	0	0	111	L78	F75-L78 HydrophobicContact CB-CD2 4.47Å; F75-L78 HydrophobicContact CD2-CD1 4.09Å; F75-L78 HydrophobicContact CD2-CG 4.26Å
76	P	75.2	Confident	80.8	Confident	94 Å²	94	61.1 Å²	61.1	61%	0.61	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	cis	-85.5	-8.1	14.6	-12.2	30.5	0	0	0	116.2	L78	P76-L78 VanDerWaalsContact C-N 3.26Å; P76-L78 PolarHBondContact O-N 2.95Å
77	H	70.4	Confident	80.8	Confident	126 Å²	126	63.6 Å²	63.6	58%	0.583	33%	0.328	S	S	*	.			trans	-85.1	60.9	-171.5	-67.9	-50.4	0	0	0	113	L74 F79	L74-H77 CarbonylContact O-C 3.4Å; L74-H77 WeakPolarHBondContact O-CA 3.34Å; L74-H77 PolarHBondContact O-N 3.47Å; H77-F79 HydrophobicContact CB-CD2 3.92Å; H77-F79 HydrophobicContact CB-CE2 3.72Å; H77-F79 AromaticContact ND1-CE2 3.79Å; H77-F79 WeakPolarHBondContact O-CD2 3.45Å; H77-F79 PolarHBondContact O-N 2.89Å
78	L	81.8	Confident	80.6	Confident	54 Å²	54	66.2 Å²	66.2	28%	0.283	34%	0.343	S	S	.	.			trans	-70.3	88.6	173.6	-58.7	179.3	0	0	0	110.3	P45 F75 P76	P45-L78 HydrophobicContact CB-CB 4.18Å; P45-L78 WeakPolarHBondContact CB-O 3.35Å; P45-L78 HydrophobicContact CG-CB 4.49Å; P45-L78 WeakPolarHBondContact CG-O 3.2Å; F75-L78 HydrophobicContact CB-CD2 4.47Å; F75-L78 HydrophobicContact CD2-CD1 4.09Å; F75-L78 HydrophobicContact CD2-CG 4.26Å; P76-L78 VanDerWaalsContact C-N 3.26Å; P76-L78 PolarHBondContact O-N 2.95Å
79	F	86.1	Confident	80.6	Confident	47 Å²	47	64.8 Å²	64.8	21%	0.206	34%	0.338	C	S	.	.			trans	-121.1	136.7	173.2	-60.4	-74.1	0	0	0	109.8	R42 L43 H77 Y112	R42-F79 HydrophobicContact CB-CD1 4.14Å; R42-F79 HydrophobicContact CB-CE1 4.37Å; L43-F79 WeakPolarHBondContact O-CA 3.42Å; H77-F79 HydrophobicContact CB-CD2 3.92Å; H77-F79 HydrophobicContact CB-CE2 3.72Å; H77-F79 AromaticContact ND1-CE2 3.79Å; H77-F79 WeakPolarHBondContact O-CD2 3.45Å; H77-F79 PolarHBondContact O-N 2.89Å; F79-Y112 AromaticContact CD1-CD1 3.62Å; F79-Y112 HydrophobicContact CD1-CD1 3.62Å; F79-Y112 AromaticContact CD1-CE1 3.54Å; F79-Y112 HydrophobicContact CD1-CE1 3.54Å; F79-Y112 AromaticContact CE1-CD1 3.6Å; F79-Y112 HydrophobicContact CE1-CD1 3.6Å; F79-Y112 AromaticContact CE1-CE1 3.48Å; F79-Y112 HydrophobicContact CE1-CE1 3.48Å; F79-Y112 VanDerWaalsContact CE1-CE1 3.48Å
80	A	89.9	Confident	80.9	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	161.8	165.8	0	0	0	0	0	111.1	L43 P44 F67 F68	L43-A80 HydrophobicContact CB-CB 3.92Å; L43-A80 PolarHBondContact N-O 2.82Å; L43-A80 PolarHBondContact O-N 3.3Å; P44-A80 VanDerWaalsContact O-CB 3.3Å; P44-A80 WeakPolarHBondContact O-CB 3.46Å; F67-A80 HydrophobicContact CE1-CB 4.41Å; F67-A80 HydrophobicContact CE2-CB 4.06Å; F67-A80 HydrophobicContact CZ-CB 3.6Å; F68-A80 WeakPolarHBondContact O-CA 3.29Å
81	R	90.4	Very high	81.7	Confident	60 Å²	60	66.7 Å²	66.7	23%	0.226	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	143.9	178.1	-53.8	-178.9	-166.8	114.8	8.5	110.1	I40 F68 D71	I40-R81 VanDerWaalsContact O-CA 3.29Å; I40-R81 WeakPolarHBondContact O-CA 3.41Å; F68-R81 PolarHBondContact N-O 3.22Å; F68-R81 PolarHBondContact O-N 2.98Å; D71-R81 IonicContact OD2-CZ 3.55Å; D71-R81 IonicContact OD2-NH1 2.71Å; D71-R81 PolarHBondContact OD2-NH1 3.4Å
82	A	91.4	Very high	82.5	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	137.9	174.4	0	0	0	0	0	110.4	V39 I40 L43 L52 F67	V39-A82 CarbonylContact C-O 3.52Å; V39-A82 VanDerWaalsContact CA-O 3.29Å; V39-A82 WeakPolarHBondContact CA-O 3.48Å; I40-A82 HydrophobicContact CB-CB 4.31Å; I40-A82 HydrophobicContact CD1-CB 4.3Å; I40-A82 HydrophobicContact CG1-CB 4.44Å; I40-A82 PolarHBondContact N-O 3Å; I40-A82 PolarHBondContact O-N 3.02Å; L43-A82 HydrophobicContact CD1-CB 4.06Å; L52-A82 HydrophobicContact CD2-CB 3.45Å; L52-A82 VanDerWaalsContact CD2-CB 3.45Å; F67-A82 HydrophobicContact CD2-CB 4.11Å
83	Y	91.2	Very high	83.5	Confident	65 Å²	65	62.1 Å²	62.1	26%	0.255	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127.4	168.5	-63.2	-87.6	0	0	0	109	I38 V39 M65 E66 F68 A119	I38-Y83 WeakPolarHBondContact O-CA 3.14Å; V39-Y83 HydrophobicContact CB-CD1 3.74Å; V39-Y83 HydrophobicContact CB-CE1 3.7Å; V39-Y83 HydrophobicContact CG2-CD1 3.77Å; V39-Y83 HydrophobicContact CG2-CE1 3.48Å; V39-Y83 VanDerWaalsContact CG2-CE1 3.48Å; V39-Y83 HydrophobicContact CG2-CE2 4.46Å; V39-Y83 HydrophobicContact CG2-CG 4.38Å; M65-Y83 WeakPolarHBondContact CA-O 3.29Å; E66-Y83 PolarHBondContact N-O 3.3Å; E66-Y83 PolarHBondContact O-N 2.65Å; F68-Y83 AromaticContact CD2-CD2 3.63Å; F68-Y83 HydrophobicContact CD2-CD2 3.63Å; F68-Y83 AromaticContact CD2-CE2 3.73Å; F68-Y83 HydrophobicContact CD2-CE2 3.73Å; F68-Y83 AromaticContact CE2-CD2 3.55Å; F68-Y83 HydrophobicContact CE2-CD2 3.55Å; F68-Y83 AromaticContact CE2-CE2 3.78Å; F68-Y83 HydrophobicContact CE2-CE2 3.78Å; Y83-A119 HydrophobicContact CD1-CB 3.98Å; Y83-A119 HydrophobicContact CE1-CB 4.28Å
84	I	89.8	Confident	84.4	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	131.4	-178.9	-55.2	-175.9	0	0	0	107.9	K37 I38 I40 L56 V62 Y64 M65 F86 F95	K37-I84 CarbonylContact C-O 3.53Å; K37-I84 VanDerWaalsContact CA-O 3.28Å; K37-I84 WeakPolarHBondContact CA-O 3.32Å; I38-I84 HydrophobicContact CD1-CB 4.27Å; I38-I84 HydrophobicContact CG1-CB 3.88Å; I38-I84 PolarHBondContact N-O 2.75Å; I38-I84 PolarHBondContact O-N 2.75Å; I40-I84 HydrophobicContact CD1-CD1 3.8Å; L56-I84 HydrophobicContact CD1-CD1 3.53Å; V62-I84 HydrophobicContact CB-CG2 4.36Å; V62-I84 HydrophobicContact CG1-CG2 3.72Å; V62-I84 HydrophobicContact CG2-CG2 3.63Å; Y64-I84 CarbonylContact O-C 3.6Å; Y64-I84 WeakPolarHBondContact O-CA 3.39Å; M65-I84 HydrophobicContact CE-CD1 4.23Å; M65-I84 HydrophobicContact CG-CG1 4.15Å; M65-I84 HydrophobicContact SD-CD1 4Å; M65-I84 HydrophobicContact SD-CG1 4.09Å; I84-F86 HydrophobicContact CB-CE2 4.15Å; I84-F86 HydrophobicContact CG2-CD2 4.05Å; I84-F86 HydrophobicContact CG2-CE1 4.48Å; I84-F86 HydrophobicContact CG2-CE2 3.54Å; I84-F86 HydrophobicContact CG2-CZ 3.78Å; I84-F95 HydrophobicContact CD1-CZ 4.4Å
85	S	89.9	Confident	85.4	Confident	4 Å²	4	59.2 Å²	59.2	3%	0.028	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	112.5	174.9	-164.6	0	0	0	0	109.5	T36 D63 Y64 T124	T36-S85 WeakPolarHBondContact O-CA 3.49Å; D63-S85 PolarHBondContact N-O 3.28Å; Y64-S85 PolarHBondContact N-O 3.06Å; Y64-S85 PolarHBondContact O-N 2.91Å; S85-T124 WeakPolarHBondContact OG-CG2 3.3Å
86	F	87.1	Confident	86.5	Confident	4 Å²	4	58.1 Å²	58.1	2%	0.018	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	166.2	175.4	-66.5	-93.3	0	0	0	110.9	T36 I38 L59 P60 V62 I84 D91 I92 F95	T36-F86 WeakPolarHBondContact CB-O 3.27Å; T36-F86 PolarHBondContact O-N 2.89Å; I38-F86 HydrophobicContact CD1-CE2 3.71Å; I38-F86 HydrophobicContact CD1-CZ 4.42Å; I38-F86 HydrophobicContact CG1-CE2 3.92Å; L59-F86 HydrophobicContact CD2-CE1 4.27Å; L59-F86 HydrophobicContact CD2-CZ 4.3Å; P60-F86 HydrophobicContact CG-CD1 3.99Å; P60-F86 HydrophobicContact CG-CE1 3.85Å; V62-F86 HydrophobicContact CG2-CD1 4.32Å; V62-F86 HydrophobicContact CG2-CE1 4.13Å; I84-F86 HydrophobicContact CB-CE2 4.15Å; I84-F86 HydrophobicContact CG2-CD2 4.05Å; I84-F86 HydrophobicContact CG2-CE1 4.48Å; I84-F86 HydrophobicContact CG2-CE2 3.54Å; I84-F86 HydrophobicContact CG2-CZ 3.78Å; F86-D91 HydrophobicContact CD1-CB 3.85Å; F86-D91 HydrophobicContact CE1-CB 4.42Å; F86-D91 HydrophobicContact CG-CB 4.42Å; F86-I92 HydrophobicContact CB-CD1 4.09Å; F86-I92 HydrophobicContact CB-CG1 3.91Å; F86-I92 HydrophobicContact CD2-CD1 4.13Å; F86-I92 HydrophobicContact CD2-CG1 3.48Å; F86-I92 VanDerWaalsContact CD2-CG1 3.48Å; F86-I92 HydrophobicContact CE2-CG1 4.19Å; F86-I92 HydrophobicContact CG-CD1 4.41Å; F86-I92 HydrophobicContact CG-CG1 3.78Å; F86-F95 HydrophobicContact CE1-CD2 4.4Å; F86-F95 HydrophobicContact CE2-CG 4.4Å; F86-F95 HydrophobicContact CZ-CB 4.15Å; F86-F95 AromaticContact CZ-CD2 3.67Å; F86-F95 HydrophobicContact CZ-CD2 3.67Å; F86-F95 HydrophobicContact CZ-CE2 4.24Å; F86-F95 AromaticContact CZ-CG 3.84Å; F86-F95 HydrophobicContact CZ-CG 3.84Å
87	K	86.6	Confident	87.2	Confident	98 Å²	98	59.7 Å²	59.7	43%	0.426	28%	0.283	S	S	.	.	S	Bend	trans	-86.1	-39.5	167.8	-65.8	-174.8	-173.1	-177.1	0	112.4	E61 D63	E61-K87 HydrophobicContact CB-CD 4.39Å; E61-K87 VanDerWaalsContact CD-CE 3.47Å; E61-K87 HydrophobicContact CG-CD 4.45Å; E61-K87 PolarHBondContact O-N 2.84Å; E61-K87 IonicContact OE1-NZ 3.86Å; E61-K87 PolarHBondContact OE1-NZ 2.79Å; E61-K87 WeakPolarHBondContact OE2-CD 3.48Å; E61-K87 WeakPolarHBondContact OE2-CE 3.29Å; E61-K87 IonicContact OE2-NZ 2.65Å; E61-K87 PolarHBondContact OE2-NZ 3.2Å; D63-K87 HydrophobicContact CB-CG 4.38Å
88	N	85.3	Confident	88	Confident	89 Å²	89	61.5 Å²	61.5	48%	0.476	29%	0.285	S	S	.	.			trans	-103.3	157.2	-177.5	-44.4	-59.3	0	0	0	112	D91	N88-D91 WeakPolarHBondContact CB-OD2 3.43Å; N88-D91 PolarHBondContact ND2-OD2 3.23Å
89	Q	85.6	Confident	88.3	Confident	73 Å²	73	60.1 Å²	60.1	34%	0.341	28%	0.277	S	S	.	.	S	Bend	trans	-85.7	-25.6	176.8	-173.2	61.2	83.8	0	0	112.8	I92	Q89-I92 PolarHBondContact O-N 2.83Å
90	E	86.1	Confident	88.6	Confident	154 Å²	154	60.6 Å²	60.6	72%	0.72	28%	0.282	S	S	*	.	H	α-helix	trans	-69.6	-46	-179.8	-64	174.6	-171.7	0	0	111.2	I92 V93 L94	E90-I92 PolarHBondContact O-N 2.97Å; E90-I92 VanDerWaalsContact O-N 3.08Å; E90-V93 WeakPolarHBondContact O-CB 3.45Å; E90-V93 PolarHBondContact O-N 3.19Å; E90-L94 WeakPolarHBondContact O-CD1 3.29Å; E90-L94 PolarHBondContact O-N 2.91Å
91	D	86.3	Confident	88.6	Confident	29 Å²	29	62.7 Å²	62.7	16%	0.155	30%	0.303	C	S	.	.	H	α-helix	trans	-48.1	-37.1	173.2	-69.2	-30.3	0	0	0	112.9	P60 F86 N88 L94 F95	P60-D91 HydrophobicContact CB-CB 4.3Å; P60-D91 WeakPolarHBondContact CB-OD1 3.46Å; P60-D91 HydrophobicContact CG-CB 3.58Å; P60-D91 WeakPolarHBondContact CG-OD1 3.28Å; F86-D91 HydrophobicContact CD1-CB 3.85Å; F86-D91 HydrophobicContact CE1-CB 4.42Å; F86-D91 HydrophobicContact CG-CB 4.42Å; N88-D91 WeakPolarHBondContact CB-OD2 3.43Å; N88-D91 PolarHBondContact ND2-OD2 3.23Å; D91-L94 PolarHBondContact O-N 3.26Å; D91-F95 WeakPolarHBondContact O-CB 3.3Å; D91-F95 PolarHBondContact O-N 3.31Å
92	I	87.4	Confident	88.6	Confident	5 Å²	5	64.7 Å²	64.7	3%	0.026	31%	0.311	C	S	.	.	H	α-helix	trans	-70	-33	-179.3	-66.5	167.3	0	0	0	112	T36 I38 F86 Q89 E90 R96 F118	T36-I92 VanDerWaalsContact CA-CD1 3.46Å; T36-I92 WeakPolarHBondContact O-CD1 3.34Å; I38-I92 HydrophobicContact CG2-CG1 4.46Å; I38-I92 HydrophobicContact CG2-CG2 3.67Å; F86-I92 HydrophobicContact CB-CD1 4.09Å; F86-I92 HydrophobicContact CB-CG1 3.91Å; F86-I92 HydrophobicContact CD2-CD1 4.13Å; F86-I92 HydrophobicContact CD2-CG1 3.48Å; F86-I92 VanDerWaalsContact CD2-CG1 3.48Å; F86-I92 HydrophobicContact CE2-CG1 4.19Å; F86-I92 HydrophobicContact CG-CD1 4.41Å; F86-I92 HydrophobicContact CG-CG1 3.78Å; Q89-I92 PolarHBondContact O-N 2.83Å; E90-I92 PolarHBondContact O-N 2.97Å; E90-I92 VanDerWaalsContact O-N 3.08Å; I92-R96 WeakPolarHBondContact O-CB 3.36Å; I92-R96 PolarHBondContact O-N 3.02Å; I92-F118 HydrophobicContact CG2-CE1 3.92Å; I92-F118 HydrophobicContact CG2-CZ 4.36Å
93	V	88	Confident	88.6	Confident	77 Å²	77	67.7 Å²	67.7	47%	0.467	33%	0.33	S	S	.	.	H	α-helix	trans	-70.9	-49.3	175.6	-174.1	0	0	0	0	109.2	E90 F95 R96 D97	E90-V93 WeakPolarHBondContact O-CB 3.45Å; E90-V93 PolarHBondContact O-N 3.19Å; V93-F95 VanDerWaalsContact C-N 3.25Å; V93-F95 PolarHBondContact O-N 2.88Å; V93-R96 PolarHBondContact O-N 2.84Å; V93-R96 VanDerWaalsContact O-N 3.16Å; V93-D97 PolarHBondContact O-N 2.75Å
94	L	88.6	Confident	88.5	Confident	104 Å²	104	64.8 Å²	64.8	55%	0.545	32%	0.318	S	S	.	.	H	α-helix	trans	-59.7	-36.5	175.8	-82.2	75.6	0	0	0	112.3	E90 D91 R98	E90-L94 WeakPolarHBondContact O-CD1 3.29Å; E90-L94 PolarHBondContact O-N 2.91Å; D91-L94 PolarHBondContact O-N 3.26Å; L94-R98 WeakPolarHBondContact O-CD 3.48Å; L94-R98 VanDerWaalsContact O-CG 3.29Å; L94-R98 WeakPolarHBondContact O-CG 3.34Å; L94-R98 PolarHBondContact O-N 2.96Å
95	F	89.1	Confident	88.4	Confident	7 Å²	7	70.3 Å²	70.3	3%	0.031	35%	0.346	C	S	.	.	H	α-helix	trans	-67.4	-47	175.6	-174.6	-84.6	0	0	0	111.3	I38 I40 L56 L59 I84 F86 D91 V93 R98 F99 V116	I38-F95 HydrophobicContact CD1-CD1 3.42Å; I38-F95 VanDerWaalsContact CD1-CD1 3.42Å; I38-F95 HydrophobicContact CD1-CE1 3.29Å; I38-F95 HydrophobicContact CD1-CG 4.28Å; I38-F95 HydrophobicContact CD1-CZ 4.05Å; I40-F95 HydrophobicContact CD1-CE1 4.05Å; I40-F95 HydrophobicContact CD1-CZ 3.66Å; I40-F95 HydrophobicContact CG1-CE1 4.21Å; I40-F95 HydrophobicContact CG1-CZ 4.31Å; L56-F95 HydrophobicContact CB-CE2 4.32Å; L56-F95 HydrophobicContact CD1-CE2 3.91Å; L56-F95 HydrophobicContact CD1-CZ 3.85Å; L56-F95 HydrophobicContact CD2-CE2 3.65Å; L56-F95 HydrophobicContact CD2-CZ 3.52Å; L56-F95 HydrophobicContact CG-CE2 4.14Å; L56-F95 HydrophobicContact CG-CZ 4.24Å; L59-F95 HydrophobicContact CD2-CD2 3.98Å; L59-F95 HydrophobicContact CD2-CE2 3.76Å; I84-F95 HydrophobicContact CD1-CZ 4.4Å; F86-F95 HydrophobicContact CE1-CD2 4.4Å; F86-F95 HydrophobicContact CE2-CG 4.4Å; F86-F95 HydrophobicContact CZ-CB 4.15Å; F86-F95 AromaticContact CZ-CD2 3.67Å; F86-F95 HydrophobicContact CZ-CD2 3.67Å; F86-F95 HydrophobicContact CZ-CE2 4.24Å; F86-F95 AromaticContact CZ-CG 3.84Å; F86-F95 HydrophobicContact CZ-CG 3.84Å; D91-F95 WeakPolarHBondContact O-CB 3.3Å; D91-F95 PolarHBondContact O-N 3.31Å; V93-F95 VanDerWaalsContact C-N 3.25Å; V93-F95 PolarHBondContact O-N 2.88Å; F95-R98 PolarHBondContact O-N 3.05Å; F95-F99 HydrophobicContact CD1-CB 4.47Å; F95-F99 HydrophobicContact CD1-CD2 4.18Å; F95-F99 AromaticContact CD2-CD2 3.6Å; F95-F99 HydrophobicContact CD2-CD2 3.6Å; F95-F99 AromaticContact CD2-CE2 3.87Å; F95-F99 HydrophobicContact CD2-CE2 3.87Å; F95-F99 HydrophobicContact CE1-CB 3.98Å; F95-F99 HydrophobicContact CE1-CD2 4.01Å; F95-F99 HydrophobicContact CE1-CG 4.33Å; F95-F99 AromaticContact CE2-CD2 3.43Å; F95-F99 HydrophobicContact CE2-CD2 3.43Å; F95-F99 VanDerWaalsContact CE2-CD2 3.43Å; F95-F99 AromaticContact CE2-CE2 3.72Å; F95-F99 HydrophobicContact CE2-CE2 3.72Å; F95-F99 HydrophobicContact CE2-CG 4.27Å; F95-F99 AromaticContact CG-CD2 3.97Å; F95-F99 HydrophobicContact CG-CD2 3.97Å; F95-F99 HydrophobicContact CZ-CB 4.14Å; F95-F99 AromaticContact CZ-CD2 3.63Å; F95-F99 HydrophobicContact CZ-CD2 3.63Å; F95-F99 HydrophobicContact CZ-CE2 4.32Å; F95-F99 HydrophobicContact CZ-CG 4.05Å; F95-F99 WeakPolarHBondContact O-CD2 3.07Å; F95-F99 PolarHBondContact O-N 3.24Å; F95-V116 HydrophobicContact CD1-CG1 3.95Å; F95-V116 HydrophobicContact CD1-CG2 4.45Å; F95-V116 HydrophobicContact CE1-CG1 4.06Å; F95-V116 HydrophobicContact CE1-CG2 3.97Å
96	R	89.5	Confident	88.4	Confident	131 Å²	131	70.5 Å²	70.5	49%	0.494	35%	0.347	S	S	.	.	H	α-helix	trans	-59.6	-50.6	178.1	-173	-175.3	177.8	-142.1	-11.4	111.2	I92 V93 R98 F99 D100 V116	I92-R96 WeakPolarHBondContact O-CB 3.36Å; I92-R96 PolarHBondContact O-N 3.02Å; V93-R96 PolarHBondContact O-N 2.84Å; V93-R96 VanDerWaalsContact O-N 3.16Å; R96-R98 PolarHBondContact O-N 2.81Å; R96-F99 PolarHBondContact O-N 2.77Å; R96-D100 HydrophobicContact CG-CB 3.74Å; R96-D100 IonicContact CZ-OD2 3.33Å; R96-D100 IonicContact NE-OD2 2.85Å; R96-D100 PolarHBondContact NE-OD2 3.46Å; R96-D100 IonicContact NH2-OD2 2.93Å; R96-D100 PolarHBondContact NH2-OD2 3.37Å; R96-D100 WeakPolarHBondContact O-CB 3.32Å; R96-D100 PolarHBondContact O-N 3.5Å; R96-V116 HydrophobicContact CB-CG1 4.27Å; R96-V116 HydrophobicContact CG-CB 4.35Å; R96-V116 HydrophobicContact CG-CG1 4.27Å
97	D	90.7	Very high	88.2	Confident	126 Å²	126	76.9 Å²	76.9	67%	0.674	38%	0.382	S	S	*	.	H	α-helix	trans	-65	-12.8	-176	-64.8	-9.2	0	0	0	113.4	V93	V93-D97 PolarHBondContact O-N 2.75Å
98	R	87.3	Confident	88	Confident	165 Å²	165	80.7 Å²	80.7	62%	0.623	39%	0.393	S	S	*	.	H	α-helix	trans	-99.3	-35.8	174.3	-71.3	173.1	178.8	-106.7	-0.7	114.3	L94 F95 R96	L94-R98 WeakPolarHBondContact O-CD 3.48Å; L94-R98 VanDerWaalsContact O-CG 3.29Å; L94-R98 WeakPolarHBondContact O-CG 3.34Å; L94-R98 PolarHBondContact O-N 2.96Å; F95-R98 PolarHBondContact O-N 3.05Å; R96-R98 PolarHBondContact O-N 2.81Å
99	F	87.6	Confident	88	Confident	24 Å²	24	79.2 Å²	79.2	11%	0.105	40%	0.399	C	S	.	.	H	α-helix	trans	-116.6	-12.4	-167.5	-63.2	-69	0	0	0	114.9	Q55 L56 F95 R96 G101 Y102 V116	Q55-F99 WeakPolarHBondContact O-CE1 3.43Å; L56-F99 HydrophobicContact CB-CZ 4.47Å; L56-F99 HydrophobicContact CD2-CD1 3.65Å; L56-F99 HydrophobicContact CD2-CD2 3.92Å; L56-F99 HydrophobicContact CD2-CE1 3.63Å; L56-F99 HydrophobicContact CD2-CE2 3.9Å; L56-F99 HydrophobicContact CD2-CG 3.8Å; L56-F99 HydrophobicContact CD2-CZ 3.76Å; F95-F99 HydrophobicContact CD1-CB 4.47Å; F95-F99 HydrophobicContact CD1-CD2 4.18Å; F95-F99 AromaticContact CD2-CD2 3.6Å; F95-F99 HydrophobicContact CD2-CD2 3.6Å; F95-F99 AromaticContact CD2-CE2 3.87Å; F95-F99 HydrophobicContact CD2-CE2 3.87Å; F95-F99 HydrophobicContact CE1-CB 3.98Å; F95-F99 HydrophobicContact CE1-CD2 4.01Å; F95-F99 HydrophobicContact CE1-CG 4.33Å; F95-F99 AromaticContact CE2-CD2 3.43Å; F95-F99 HydrophobicContact CE2-CD2 3.43Å; F95-F99 VanDerWaalsContact CE2-CD2 3.43Å; F95-F99 AromaticContact CE2-CE2 3.72Å; F95-F99 HydrophobicContact CE2-CE2 3.72Å; F95-F99 HydrophobicContact CE2-CG 4.27Å; F95-F99 AromaticContact CG-CD2 3.97Å; F95-F99 HydrophobicContact CG-CD2 3.97Å; F95-F99 HydrophobicContact CZ-CB 4.14Å; F95-F99 AromaticContact CZ-CD2 3.63Å; F95-F99 HydrophobicContact CZ-CD2 3.63Å; F95-F99 HydrophobicContact CZ-CE2 4.32Å; F95-F99 HydrophobicContact CZ-CG 4.05Å; F95-F99 WeakPolarHBondContact O-CD2 3.07Å; F95-F99 PolarHBondContact O-N 3.24Å; R96-F99 PolarHBondContact O-N 2.77Å; F99-G101 PolarHBondContact O-N 3.34Å; F99-Y102 PolarHBondContact O-N 3.29Å; F99-V116 HydrophobicContact CB-CG2 4.07Å
100	D	92.2	Very high	88	Confident	58 Å²	58	80 Å²	80	31%	0.31	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	113.4	172.1	-156	16.6	0	0	0	109	R96 V116	R96-D100 HydrophobicContact CG-CB 3.74Å; R96-D100 IonicContact CZ-OD2 3.33Å; R96-D100 IonicContact NE-OD2 2.85Å; R96-D100 PolarHBondContact NE-OD2 3.46Å; R96-D100 IonicContact NH2-OD2 2.93Å; R96-D100 PolarHBondContact NH2-OD2 3.37Å; R96-D100 WeakPolarHBondContact O-CB 3.32Å; R96-D100 PolarHBondContact O-N 3.5Å; D100-V116 HydrophobicContact CB-CB 4.02Å; D100-V116 HydrophobicContact CB-CG2 4.27Å; D100-V116 PolarHBondContact OD1-N 3.13Å
101	G	89.9	Confident	88.3	Confident	43 Å²	43	79.5 Å²	79.5	44%	0.443	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.3	-0.6	-172.5	0	0	0	0	0	116.1	F99 V103 A114	F99-G101 PolarHBondContact O-N 3.34Å; G101-V103 PolarHBondContact O-N 2.66Å; G101-A114 VanDerWaalsContact CA-O 3.27Å; G101-A114 WeakPolarHBondContact CA-O 3.45Å; G101-A114 PolarHBondContact N-O 3.43Å
102	Y	90.8	Very high	88.4	Confident	102 Å²	102	79.2 Å²	79.2	40%	0.4	40%	0.397	S	S	.	.			trans	-61.6	128.9	177.3	-176	-87.4	0	0	0	111.1	F99 F104 A114	F99-Y102 PolarHBondContact O-N 3.29Å; Y102-F104 HydrophobicContact CD1-CD1 4.44Å; Y102-F104 AromaticContact CD1-CD2 3.66Å; Y102-F104 HydrophobicContact CD1-CD2 3.66Å; Y102-F104 HydrophobicContact CD1-CE1 4.36Å; Y102-F104 AromaticContact CD1-CE2 3.54Å; Y102-F104 HydrophobicContact CD1-CE2 3.54Å; Y102-F104 HydrophobicContact CD1-CG 4.11Å; Y102-F104 AromaticContact CD1-CZ 3.92Å; Y102-F104 HydrophobicContact CD1-CZ 3.92Å; Y102-F104 HydrophobicContact CE1-CD1 4.32Å; Y102-F104 HydrophobicContact CE1-CD2 4.3Å; Y102-F104 HydrophobicContact CE1-CE1 4.34Å; Y102-F104 HydrophobicContact CE1-CE2 4.3Å; Y102-F104 HydrophobicContact CE1-CG 4.3Å; Y102-F104 HydrophobicContact CE1-CZ 4.32Å; Y102-F104 HydrophobicContact CG-CE2 4.41Å; Y102-F104 PolarHBondContact O-N 3.02Å; Y102-A114 PolarHBondContact O-N 2.69Å
103	V	91.1	Very high	88.7	Confident	64 Å²	64	81 Å²	81	39%	0.388	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	99	-176.3	-175.4	0	0	0	0	109.9	G101 E111 P113	G101-V103 PolarHBondContact O-N 2.66Å; V103-E111 HydrophobicContact CG1-CB 3.71Å; V103-E111 HydrophobicContact CG1-CG 3.87Å; V103-P113 HydrophobicContact CG2-CB 4.26Å
104	F	89.7	Confident	88.9	Confident	3 Å²	3	77.3 Å²	77.3	1%	0.013	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	147.1	167.9	-67.6	-99.2	0	0	0	109.8	L43 P44 L47 L52 Y102 Y112 A114	L43-F104 HydrophobicContact CD2-CD1 4.15Å; L43-F104 HydrophobicContact CD2-CD2 3.65Å; L43-F104 HydrophobicContact CD2-CE1 3.87Å; L43-F104 HydrophobicContact CD2-CE2 3.36Å; L43-F104 HydrophobicContact CD2-CG 4.06Å; L43-F104 HydrophobicContact CD2-CZ 3.48Å; L43-F104 VanDerWaalsContact CD2-CZ 3.48Å; P44-F104 VanDerWaalsContact CD-CB 3.48Å; P44-F104 HydrophobicContact CG-CB 3.49Å; P44-F104 VanDerWaalsContact CG-CB 3.49Å; P44-F104 HydrophobicContact CG-CG 4.41Å; L47-F104 HydrophobicContact CD2-CD1 3.92Å; L47-F104 HydrophobicContact CD2-CE1 3.96Å; L52-F104 HydrophobicContact CD1-CE1 3.96Å; L52-F104 HydrophobicContact CD1-CZ 3.95Å; Y102-F104 HydrophobicContact CD1-CD1 4.44Å; Y102-F104 AromaticContact CD1-CD2 3.66Å; Y102-F104 HydrophobicContact CD1-CD2 3.66Å; Y102-F104 HydrophobicContact CD1-CE1 4.36Å; Y102-F104 AromaticContact CD1-CE2 3.54Å; Y102-F104 HydrophobicContact CD1-CE2 3.54Å; Y102-F104 HydrophobicContact CD1-CG 4.11Å; Y102-F104 AromaticContact CD1-CZ 3.92Å; Y102-F104 HydrophobicContact CD1-CZ 3.92Å; Y102-F104 HydrophobicContact CE1-CD1 4.32Å; Y102-F104 HydrophobicContact CE1-CD2 4.3Å; Y102-F104 HydrophobicContact CE1-CE1 4.34Å; Y102-F104 HydrophobicContact CE1-CE2 4.3Å; Y102-F104 HydrophobicContact CE1-CG 4.3Å; Y102-F104 HydrophobicContact CE1-CZ 4.32Å; Y102-F104 HydrophobicContact CG-CE2 4.41Å; Y102-F104 PolarHBondContact O-N 3.02Å; F104-Y112 PolarHBondContact N-O 2.92Å; F104-Y112 PolarHBondContact O-N 3.05Å; F104-A114 HydrophobicContact CD2-CB 3.73Å; F104-A114 HydrophobicContact CE2-CB 3.53Å
105	I	88.6	Confident	89.1	Confident	116 Å²	116	74.9 Å²	74.9	60%	0.595	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.4	126.3	178	-57.6	176.8	0	0	0	108.6	Q110	I105-Q110 WeakPolarHBondContact CA-O 3.28Å
106	D	88.6	Confident	89.3	Confident	8 Å²	8	75 Å²	75	4%	0.043	38%	0.375	C	S	.	.			trans	-70.3	154	172.8	-172.8	-54.5	0	0	0	110.1	P44 R108 G109 Q110 Y112	P44-D106 HydrophobicContact CB-CB 4.16Å; D106-R108 PolarHBondContact O-N 3.2Å; D106-R108 WeakPolarHBondContact OD1-CB 3.34Å; D106-R108 WeakPolarHBondContact OD1-CG 3.29Å; D106-R108 PolarHBondContact OD1-N 2.89Å; D106-G109 PolarHBondContact O-N 2.77Å; D106-Q110 HydrophobicContact CB-CB 4.33Å; D106-Q110 PolarHBondContact N-O 3.43Å; D106-Y112 HydrophobicContact CB-CD2 4.19Å; D106-Y112 HydrophobicContact CB-CE2 3.79Å
107	N	83.3	Confident	89.4	Confident	138 Å²	138	72 Å²	72	74%	0.738	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-19.3	168.9	-67.4	-33.8	0	0	0	113.6
108	R	83.3	Confident	89.4	Confident	179 Å²	179	70.6 Å²	70.6	68%	0.675	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	6.4	175.1	-62	171.9	61.6	-118.3	-9.5	114.4	D106 Q110	D106-R108 PolarHBondContact O-N 3.2Å; D106-R108 WeakPolarHBondContact OD1-CB 3.34Å; D106-R108 WeakPolarHBondContact OD1-CG 3.29Å; D106-R108 PolarHBondContact OD1-N 2.89Å; R108-Q110 VanDerWaalsContact C-N 3.3Å; R108-Q110 PolarHBondContact O-N 3.43Å
109	G	83.7	Confident	89.6	Confident	58 Å²	58	63.1 Å²	63.1	60%	0.598	33%	0.328	S	S	*	.	S	Bend	trans	70	20.1	-179.1	0	0	0	0	0	114.6	D106	D106-G109 PolarHBondContact O-N 2.77Å
110	Q	86.8	Confident	89.7	Confident	88 Å²	88	67.7 Å²	67.7	41%	0.411	36%	0.36	S	S	.	.			trans	-90	133.6	174.8	-69.6	-164.1	-89.3	0	0	110.5	I105 D106 R108 Y112	I105-Q110 WeakPolarHBondContact CA-O 3.28Å; D106-Q110 HydrophobicContact CB-CB 4.33Å; D106-Q110 PolarHBondContact N-O 3.43Å; R108-Q110 VanDerWaalsContact C-N 3.3Å; R108-Q110 PolarHBondContact O-N 3.43Å; Q110-Y112 HydrophobicContact CB-CD2 4.31Å; Q110-Y112 HydrophobicContact CB-CE2 3.63Å; Q110-Y112 VanDerWaalsContact O-CD2 3.23Å; Q110-Y112 WeakPolarHBondContact O-CD2 3.39Å
111	E	91.7	Very high	89.4	Confident	145 Å²	145	71.4 Å²	71.4	68%	0.678	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86	132	179.1	-71.8	173.7	-155.8	0	0	112.1	V103	V103-E111 HydrophobicContact CG1-CB 3.71Å; V103-E111 HydrophobicContact CG1-CG 3.87Å
112	Y	89.5	Confident	89.3	Confident	23 Å²	23	71.6 Å²	71.6	9%	0.09	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	86.4	-175.1	-76.3	-87	0	0	0	109.8	R42 P44 F79 F104 D106 Q110 A114	R42-Y112 WeakPolarHBondContact O-CB 3.49Å; P44-Y112 HydrophobicContact CB-CD2 3.87Å; P44-Y112 HydrophobicContact CB-CE2 4.2Å; P44-Y112 HydrophobicContact CB-CG 4.24Å; P44-Y112 HydrophobicContact CG-CD2 3.87Å; P44-Y112 HydrophobicContact CG-CG 4.02Å; F79-Y112 AromaticContact CD1-CD1 3.62Å; F79-Y112 HydrophobicContact CD1-CD1 3.62Å; F79-Y112 AromaticContact CD1-CE1 3.54Å; F79-Y112 HydrophobicContact CD1-CE1 3.54Å; F79-Y112 AromaticContact CE1-CD1 3.6Å; F79-Y112 HydrophobicContact CE1-CD1 3.6Å; F79-Y112 AromaticContact CE1-CE1 3.48Å; F79-Y112 HydrophobicContact CE1-CE1 3.48Å; F79-Y112 VanDerWaalsContact CE1-CE1 3.48Å; F104-Y112 PolarHBondContact N-O 2.92Å; F104-Y112 PolarHBondContact O-N 3.05Å; D106-Y112 HydrophobicContact CB-CD2 4.19Å; D106-Y112 HydrophobicContact CB-CE2 3.79Å; Q110-Y112 HydrophobicContact CB-CD2 4.31Å; Q110-Y112 HydrophobicContact CB-CE2 3.63Å; Q110-Y112 VanDerWaalsContact O-CD2 3.23Å; Q110-Y112 WeakPolarHBondContact O-CD2 3.39Å; Y112-A114 PolarHBondContact O-N 2.89Å; Y112-A114 VanDerWaalsContact O-N 3.11Å
113	P	92.6	Very high	89	Confident	41 Å²	41	73.5 Å²	73.5	27%	0.266	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	112.1	171.3	25	-31.8	0	0	0	109.5	R42 V103	R42-P113 WeakPolarHBondContact CB-O 3.41Å; V103-P113 HydrophobicContact CG2-CB 4.26Å
114	A	92.6	Very high	88.4	Confident	1 Å²	1	72.1 Å²	72.1	1%	0.008	37%	0.366	C	S	.	.			trans	-69.7	158	177.3	0	0	0	0	0	111.7	I40 R41 L43 G101 Y102 F104 Y112	I40-A114 HydrophobicContact CG2-CB 4.13Å; R41-A114 WeakPolarHBondContact O-CA 3.41Å; L43-A114 HydrophobicContact CD2-CB 4.3Å; G101-A114 VanDerWaalsContact CA-O 3.27Å; G101-A114 WeakPolarHBondContact CA-O 3.45Å; G101-A114 PolarHBondContact N-O 3.43Å; Y102-A114 PolarHBondContact O-N 2.69Å; F104-A114 HydrophobicContact CD2-CB 3.73Å; F104-A114 HydrophobicContact CE2-CB 3.53Å; Y112-A114 PolarHBondContact O-N 2.89Å; Y112-A114 VanDerWaalsContact O-N 3.11Å
115	I	92.4	Very high	87.3	Confident	53 Å²	53	75 Å²	75	27%	0.272	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	130.3	175.9	-61.3	176.6	0	0	0	107.8	R41 R42 E117	R41-I115 HydrophobicContact CB-CB 4.49Å; R41-I115 PolarHBondContact N-O 2.98Å; R41-I115 PolarHBondContact O-N 3.37Å; R42-I115 HydrophobicContact CG-CD1 4.37Å; I115-E117 HydrophobicContact CG2-CG 3.95Å
116	V	92.8	Very high	86.2	Confident	8 Å²	8	78.2 Å²	78.2	5%	0.048	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	102	-179.7	178.1	0	0	0	0	109.5	I38 F95 R96 F99 D100	I38-V116 HydrophobicContact CD1-CG1 4.03Å; F95-V116 HydrophobicContact CD1-CG1 3.95Å; F95-V116 HydrophobicContact CD1-CG2 4.45Å; F95-V116 HydrophobicContact CE1-CG1 4.06Å; F95-V116 HydrophobicContact CE1-CG2 3.97Å; R96-V116 HydrophobicContact CB-CG1 4.27Å; R96-V116 HydrophobicContact CG-CB 4.35Å; R96-V116 HydrophobicContact CG-CG1 4.27Å; F99-V116 HydrophobicContact CB-CG2 4.07Å; D100-V116 HydrophobicContact CB-CB 4.02Å; D100-V116 HydrophobicContact CB-CG2 4.27Å; D100-V116 PolarHBondContact OD1-N 3.13Å
117	E	91.8	Very high	85	Confident	70 Å²	70	83.9 Å²	83.9	33%	0.327	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	158.6	178.9	-78.3	164.9	-173.5	0	0	110.9	I38 V39 R41 I115	I38-E117 CarbonylContact C-O 3.51Å; I38-E117 VanDerWaalsContact CA-O 3.29Å; I38-E117 WeakPolarHBondContact CA-O 3.3Å; I38-E117 WeakPolarHBondContact CB-O 3.28Å; V39-E117 HydrophobicContact CG1-CB 4.01Å; V39-E117 PolarHBondContact N-O 3.21Å; V39-E117 PolarHBondContact O-N 2.77Å; V39-E117 VanDerWaalsContact O-N 3.1Å; R41-E117 WeakPolarHBondContact CD-OE2 3.46Å; R41-E117 IonicContact CZ-OE2 3.15Å; R41-E117 IonicContact NE-OE2 2.66Å; R41-E117 IonicContact NH1-OE1 3.17Å; R41-E117 PolarHBondContact NH1-OE1 2.88Å; R41-E117 IonicContact NH1-OE2 3.31Å; R41-E117 PolarHBondContact NH1-OE2 2.93Å; I115-E117 HydrophobicContact CG2-CG 3.95Å
118	F	91.8	Very high	83.7	Confident	96 Å²	96	87.2 Å²	87.2	42%	0.421	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	138.2	161.5	-70.8	-69.3	0	0	0	109.9	M35 I92 P120	M35-F118 HydrophobicContact CB-CD1 3.57Å; M35-F118 HydrophobicContact CB-CE1 3.82Å; M35-F118 HydrophobicContact CB-CG 4.2Å; M35-F118 HydrophobicContact CE-CD2 4.08Å; M35-F118 HydrophobicContact CE-CE2 4.24Å; M35-F118 HydrophobicContact CE-CG 4.25Å; M35-F118 VanDerWaalsContact O-CD1 3.25Å; M35-F118 WeakPolarHBondContact O-CD1 3.2Å; M35-F118 WeakPolarHBondContact O-CE1 3.37Å; I92-F118 HydrophobicContact CG2-CE1 3.92Å; I92-F118 HydrophobicContact CG2-CZ 4.36Å; F118-P120 VanDerWaalsContact O-CD 3.32Å; F118-P120 WeakPolarHBondContact O-CD 3.42Å
119	A	91	Very high	82.5	Confident	7 Å²	7	85.9 Å²	85.9	6%	0.058	43%	0.432	C	S	.	.			trans	-66.4	122.7	-179.4	0	0	0	0	0	110.2	K37 V39 Y83 F121 Q122	K37-A119 HydrophobicContact CB-CB 4.25Å; K37-A119 HydrophobicContact CD-CB 3.98Å; K37-A119 HydrophobicContact CG-CB 3.82Å; K37-A119 VanDerWaalsContact O-CB 3.3Å; K37-A119 WeakPolarHBondContact O-CB 3.34Å; K37-A119 PolarHBondContact O-N 3.39Å; V39-A119 HydrophobicContact CB-CB 4.37Å; Y83-A119 HydrophobicContact CD1-CB 3.98Å; Y83-A119 HydrophobicContact CE1-CB 4.28Å; A119-F121 CarbonylContact O-C 3.6Å; A119-F121 PolarHBondContact O-N 2.8Å; A119-Q122 PolarHBondContact O-N 2.8Å
120	P	89.5	Confident	81.7	Confident	121 Å²	121	91.1 Å²	91.1	79%	0.786	44%	0.438	S	S	*	.	S	Bend	trans	-58	-16.7	179.9	-27.4	35.8	0	0	0	114.4	F118	F118-P120 VanDerWaalsContact O-CD 3.32Å; F118-P120 WeakPolarHBondContact O-CD 3.42Å
121	F	86.4	Confident	80.9	Confident	135 Å²	135	96.5 Å²	96.5	59%	0.592	46%	0.46	S	S	*	.	S	Bend	trans	-121.8	92.1	167.9	-173.2	-112.9	0	0	0	110.2	K37 A119 K123	K37-F121 PolarHBondContact NZ-O 3.09Å; A119-F121 CarbonylContact O-C 3.6Å; A119-F121 PolarHBondContact O-N 2.8Å; F121-K123 HydrophobicContact CD1-CB 4.33Å; F121-K123 HydrophobicContact CE1-CB 3.74Å; F121-K123 HydrophobicContact CE2-CB 4.31Å; F121-K123 HydrophobicContact CE2-CD 4.21Å; F121-K123 HydrophobicContact CE2-CG 4.47Å; F121-K123 HydrophobicContact CZ-CB 3.74Å; F121-K123 HydrophobicContact CZ-CD 4.05Å; F121-K123 HydrophobicContact CZ-CG 4.28Å; F121-K123 PolarHBondContact O-N 2.91Å
122	Q	88.5	Confident	79.8	Confident	47 Å²	47	98.6 Å²	98.6	22%	0.22	47%	0.467	C	S	.	.			trans	-59.1	-25.2	-177	173.6	53.9	37	0	0	114.3	M35 T36 K37 A119 T124	M35-Q122 VanDerWaalsContact C-OE1 3.25Å; M35-Q122 VanDerWaalsContact CA-OE1 3.3Å; T36-Q122 VanDerWaalsContact N-NE2 3.11Å; T36-Q122 PolarHBondContact OG1-NE2 3.49Å; K37-Q122 VanDerWaalsContact CB-OE1 3.29Å; K37-Q122 VanDerWaalsContact CD-O 3.28Å; K37-Q122 WeakPolarHBondContact CD-O 3.17Å; A119-Q122 PolarHBondContact O-N 2.8Å; Q122-T124 PolarHBondContact O-N 2.96Å
123	K	83.4	Confident	78.9	Confident	142 Å²	142	102.4 Å²	102.4	62%	0.617	49%	0.489	S	S	*	.	S	Bend	trans	-68.3	130.7	-178	-63.5	177.6	-179.1	176.6	0	110.8	K37 F121	K37-K123 PolarHBondContact NZ-O 2.94Å; F121-K123 HydrophobicContact CD1-CB 4.33Å; F121-K123 HydrophobicContact CE1-CB 3.74Å; F121-K123 HydrophobicContact CE2-CB 4.31Å; F121-K123 HydrophobicContact CE2-CD 4.21Å; F121-K123 HydrophobicContact CE2-CG 4.47Å; F121-K123 HydrophobicContact CZ-CB 3.74Å; F121-K123 HydrophobicContact CZ-CD 4.05Å; F121-K123 HydrophobicContact CZ-CG 4.28Å; F121-K123 PolarHBondContact O-N 2.91Å
124	T	77.7	Confident	78.1	Confident	36 Å²	36	106 Å²	106	22%	0.221	52%	0.516	C	S	.	.			trans	-72.9	134.3	168	50.6	0	0	0	0	109.4	K37 Y64 S85 Q122 K126	K37-T124 HydrophobicContact CD-CG2 4.45Å; Y64-T124 HydrophobicContact CD1-CG2 3.84Å; Y64-T124 HydrophobicContact CG-CG2 4.06Å; S85-T124 WeakPolarHBondContact OG-CG2 3.3Å; Q122-T124 PolarHBondContact O-N 2.96Å; T124-K126 PolarHBondContact O-N 2.82Å
125	A	66.9	Low	77.1	Confident	63 Å²	63	113.8 Å²	113.8	52%	0.521	55%	0.549	S	S	.	.			trans	-76	82.4	171.2	0	0	0	0	0	107.5	K127	A125-K127 PolarHBondContact O-N 2.67Å
126	K	65.9	Low	75.9	Confident	183 Å²	183	115.1 Å²	115.1	80%	0.796	56%	0.562	S	S	*	*			trans	-47.2	108.8	175.9	-67.5	-166.8	177.9	-167.3	0	107.8	T124 R128	T124-K126 PolarHBondContact O-N 2.82Å; K126-R128 VanDerWaalsContact C-N 3.25Å; K126-R128 PolarHBondContact O-N 2.61Å
127	K	63.6	Low	74.9	Confident	127 Å²	127	117.8 Å²	117.8	55%	0.552	59%	0.591	S	S	*	*			trans	-59.9	95.1	-179.9	-84.2	174.8	171.2	159.4	0	106.4	E66 A125 N129	E66-K127 WeakPolarHBondContact OE1-CE 3.47Å; E66-K127 IonicContact OE1-NZ 3.8Å; E66-K127 PolarHBondContact OE1-NZ 2.91Å; E66-K127 WeakPolarHBondContact OE2-CE 3.16Å; E66-K127 IonicContact OE2-NZ 3.15Å; E66-K127 PolarHBondContact OE2-NZ 2.71Å; A125-K127 PolarHBondContact O-N 2.67Å; K127-N129 VanDerWaalsContact C-N 3.34Å; K127-N129 PolarHBondContact O-N 2.86Å; K127-N129 PolarHBondContact O-OD1 3.36Å
128	R	56	Low	74.3	Confident	209 Å²	209	117.1 Å²	117.1	79%	0.789	59%	0.592	S	S	*	*			trans	-68.7	101.7	-172.3	-167.7	-174.8	90.5	175.1	8	105.1	K126 K130	K126-R128 VanDerWaalsContact C-N 3.25Å; K126-R128 PolarHBondContact O-N 2.61Å; R128-K130 PolarHBondContact O-N 2.66Å
129	N	58	Low	73.6	Confident	150 Å²	150	117.7 Å²	117.7	80%	0.802	60%	0.598	S	S	*	*			trans	-58.1	84.3	173.4	-73.6	-9	0	0	0	107.9	K127 K131	K127-N129 VanDerWaalsContact C-N 3.34Å; K127-N129 PolarHBondContact O-N 2.86Å; K127-N129 PolarHBondContact O-OD1 3.36Å; N129-K131 PolarHBondContact O-N 3.43Å
130	K	67.2	Low	72.9	Confident	168 Å²	168	120.3 Å²	120.3	73%	0.73	62%	0.62	S	S	*	*			trans	-50.9	113.3	156.9	-70.1	178.8	179.6	177	0	102.8	R128 K132	R128-K130 PolarHBondContact O-N 2.66Å; K130-K132 PolarHBondContact O-N 3.25Å
131	K	70.6	Confident	72.4	Confident	201 Å²	201	120.8 Å²	120.8	87%	0.874	61%	0.612	S	S	*	*			trans	-45.1	115.6	175.5	-63.2	-179	177.8	-174.3	0	105.6	N129 D133	N129-K131 PolarHBondContact O-N 3.43Å; K131-D133 PolarHBondContact O-N 3.17Å; K131-D133 VanDerWaalsContact O-N 3.08Å
132	K	66.7	Low	72.4	Confident	189 Å²	189	117.8 Å²	117.8	82%	0.822	60%	0.602	S	S	*	*			trans	-54.6	123.2	178.7	-73.8	-174.4	178	-178	0	105.1	K130 S134	K130-K132 PolarHBondContact O-N 3.25Å; K132-S134 PolarHBondContact O-N 3.05Å
133	D	72.2	Confident	72.2	Confident	104 Å²	104	119.5 Å²	119.5	56%	0.556	62%	0.617	S	S	*	*			trans	-58.4	132.7	-174.8	-168	-35.7	0	0	0	107.4	K131 K135 C136	K131-D133 PolarHBondContact O-N 3.17Å; K131-D133 VanDerWaalsContact O-N 3.08Å; D133-K135 PolarHBondContact O-N 3.4Å; D133-K135 WeakPolarHBondContact OD1-CB 2.76Å; D133-K135 PolarHBondContact OD1-N 3.3Å; D133-C136 HydrophobicContact CB-CB 4.17Å; D133-C136 PolarHBondContact O-N 2.79Å; D133-C136 PolarHBondContact O-SG 3Å
134	S	74.5	Confident	72.2	Confident	117 Å²	117	117.6 Å²	117.6	82%	0.818	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	-12.3	176.6	-54.6	0	0	0	0	112.3	K132	K132-S134 PolarHBondContact O-N 3.05Å
135	K	71.4	Confident	72.6	Confident	164 Å²	164	120.2 Å²	120.2	71%	0.713	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	0.2	172.4	-55	-174.2	179	-170.8	0	114.4	D133 G137 T138	D133-K135 PolarHBondContact O-N 3.4Å; D133-K135 WeakPolarHBondContact OD1-CB 2.76Å; D133-K135 PolarHBondContact OD1-N 3.3Å; K135-G137 PolarHBondContact O-N 3.24Å; K135-T138 PolarHBondContact O-OG1 2.92Å
136	C	68.6	Low	73.5	Confident	81 Å²	81	121.6 Å²	121.6	55%	0.547	61%	0.614	S	S	.	*	S	Bend	trans	-80.3	117	173.2	77.4	0	0	0	0	110	D133	D133-C136 HydrophobicContact CB-CB 4.17Å; D133-C136 PolarHBondContact O-N 2.79Å; D133-C136 PolarHBondContact O-SG 3Å
137	G	70.5	Confident	74.4	Confident	63 Å²	63	120.3 Å²	120.3	65%	0.649	60%	0.604	S	S	*	*	S	Bend	trans	113	-24.4	-175.5	0	0	0	0	0	114.1	K135 I139	K135-G137 PolarHBondContact O-N 3.24Å; G137-I139 PolarHBondContact O-N 2.88Å
138	T	78.8	Confident	75.4	Confident	57 Å²	57	119.7 Å²	119.7	35%	0.35	60%	0.602	S	S	.	*	G	3₁₀ helix	trans	-73.4	7.2	-178.8	64.3	0	0	0	0	114.1	K135 A140 E141 D142	K135-T138 PolarHBondContact O-OG1 2.92Å; T138-A140 PolarHBondContact O-N 3.22Å; T138-E141 WeakPolarHBondContact O-CB 3.33Å; T138-E141 PolarHBondContact O-N 2.94Å; T138-D142 PolarHBondContact O-N 2.93Å
139	I	77.9	Confident	76.7	Confident	108 Å²	108	112.6 Å²	112.6	55%	0.554	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-61.4	-31.9	175.4	-168.8	169.3	0	0	0	111.8	G137 E141 D142 Y145	G137-I139 PolarHBondContact O-N 2.88Å; I139-E141 PolarHBondContact O-N 3.27Å; I139-D142 WeakPolarHBondContact O-CB 3.29Å; I139-D142 PolarHBondContact O-N 3.4Å; I139-Y145 HydrophobicContact CG1-CD2 4.19Å; I139-Y145 HydrophobicContact CG1-CG 4.2Å; I139-Y145 WeakPolarHBondContact O-CB 3.27Å; I139-Y145 WeakPolarHBondContact O-CD1 3.47Å; I139-Y145 VanDerWaalsContact O-CG 3.29Å
140	A	77.3	Confident	77.9	Confident	61 Å²	61	111.8 Å²	111.8	50%	0.504	57%	0.57	S	S	.	*	G	3₁₀ helix	trans	-67.1	-20.3	173.4	0	0	0	0	0	113.3	T138 K146	T138-A140 PolarHBondContact O-N 3.22Å; A140-K146 WeakPolarHBondContact O-CE 3.3Å
141	E	78.3	Confident	78.6	Confident	132 Å²	132	110.3 Å²	110.3	62%	0.617	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	-18.2	179.2	-59.2	-179.9	151.3	0	0	112.4	T138 I139 K146	T138-E141 WeakPolarHBondContact O-CB 3.33Å; T138-E141 PolarHBondContact O-N 2.94Å; I139-E141 PolarHBondContact O-N 3.27Å; E141-K146 WeakPolarHBondContact O-CE 3.42Å; E141-K146 PolarHBondContact O-NZ 3.35Å
142	D	86.7	Confident	79.1	Confident	71 Å²	71	108.5 Å²	108.5	38%	0.38	55%	0.55	S	S	.	*			trans	-61.6	128.5	-175.9	-166.1	-50.2	0	0	0	111.6	T138 I139 D144 Y145 K146	T138-D142 PolarHBondContact O-N 2.93Å; I139-D142 WeakPolarHBondContact O-CB 3.29Å; I139-D142 PolarHBondContact O-N 3.4Å; D142-D144 PolarHBondContact O-N 3.39Å; D142-D144 PolarHBondContact OD1-N 2.83Å; D142-Y145 PolarHBondContact O-N 3.41Å; D142-K146 WeakPolarHBondContact O-CG 3.49Å; D142-K146 PolarHBondContact O-N 3.36Å
143	P	84.3	Confident	79.5	Confident	83 Å²	83	104.6 Å²	104.6	54%	0.539	54%	0.538	S	S	.	.	H	α-helix	trans	-60.5	-30.5	179.4	25.5	-35.4	0	0	0	113.5	R147	P143-R147 WeakPolarHBondContact O-CB 3.37Å; P143-R147 WeakPolarHBondContact O-CD 3.28Å; P143-R147 VanDerWaalsContact O-CG 3.26Å; P143-R147 WeakPolarHBondContact O-CG 3.42Å; P143-R147 PolarHBondContact O-N 3.45Å
144	D	83.5	Confident	78.9	Confident	102 Å²	102	100.5 Å²	100.5	55%	0.545	52%	0.52	S	S	.	.	H	α-helix	trans	-80.1	-28.3	179.8	-72.4	-22	0	0	0	111.9	D142 R147 F148	D142-D144 PolarHBondContact O-N 3.39Å; D142-D144 PolarHBondContact OD1-N 2.83Å; D144-R147 IonicContact OD1-CZ 3.25Å; D144-R147 IonicContact OD1-NH1 2.66Å; D144-R147 PolarHBondContact OD1-NH1 3.41Å; D144-F148 WeakPolarHBondContact O-CB 3.34Å; D144-F148 PolarHBondContact O-N 3.35Å
145	Y	85.4	Confident	78	Confident	91 Å²	91	97.9 Å²	97.9	36%	0.357	50%	0.497	S	S	.	.	H	α-helix	trans	-71.2	-38	168.4	-178.8	-103.2	0	0	0	112	I139 D142 F148 L149	I139-Y145 HydrophobicContact CG1-CD2 4.19Å; I139-Y145 HydrophobicContact CG1-CG 4.2Å; I139-Y145 WeakPolarHBondContact O-CB 3.27Å; I139-Y145 WeakPolarHBondContact O-CD1 3.47Å; I139-Y145 VanDerWaalsContact O-CG 3.29Å; D142-Y145 PolarHBondContact O-N 3.41Å; Y145-F148 WeakPolarHBondContact O-CB 3.32Å; Y145-F148 PolarHBondContact O-N 2.92Å; Y145-L149 HydrophobicContact CD1-CD1 4.04Å; Y145-L149 HydrophobicContact CE1-CD1 3.47Å; Y145-L149 VanDerWaalsContact CE1-CD1 3.47Å; Y145-L149 HydrophobicContact CE1-CG 4.1Å; Y145-L149 PolarHBondContact O-N 2.87Å
146	K	85.7	Confident	77.1	Confident	93 Å²	93	97.9 Å²	97.9	40%	0.404	50%	0.5	S	S	.	.	H	α-helix	trans	-62.3	-46.6	172.8	-74.4	166	176.8	164	0	111.5	A140 E141 D142 F148 L149 E150	A140-K146 WeakPolarHBondContact O-CE 3.3Å; E141-K146 WeakPolarHBondContact O-CE 3.42Å; E141-K146 PolarHBondContact O-NZ 3.35Å; D142-K146 WeakPolarHBondContact O-CG 3.49Å; D142-K146 PolarHBondContact O-N 3.36Å; K146-F148 VanDerWaalsContact C-N 3.29Å; K146-F148 PolarHBondContact O-N 3.42Å; K146-L149 CarbonylContact O-C 3.59Å; K146-L149 PolarHBondContact O-N 3.34Å; K146-L149 VanDerWaalsContact O-N 3.09Å; K146-E150 WeakPolarHBondContact O-CG 3.47Å; K146-E150 PolarHBondContact O-N 2.96Å
147	R	84.9	Confident	76.6	Confident	156 Å²	156	101.7 Å²	101.7	59%	0.589	51%	0.51	S	S	*	.	H	α-helix	trans	-59.1	-37.6	171.9	-75.9	165	167.9	175.1	-6.5	113.2	P143 D144 E150 Y151	P143-R147 WeakPolarHBondContact O-CB 3.37Å; P143-R147 WeakPolarHBondContact O-CD 3.28Å; P143-R147 VanDerWaalsContact O-CG 3.26Å; P143-R147 WeakPolarHBondContact O-CG 3.42Å; P143-R147 PolarHBondContact O-N 3.45Å; D144-R147 IonicContact OD1-CZ 3.25Å; D144-R147 IonicContact OD1-NH1 2.66Å; D144-R147 PolarHBondContact OD1-NH1 3.41Å; R147-E150 PolarHBondContact O-N 3.18Å; R147-Y151 VanDerWaalsContact O-CB 3.29Å; R147-Y151 WeakPolarHBondContact O-CB 3.41Å; R147-Y151 PolarHBondContact O-N 2.85Å
148	F	85.1	Confident	75.8	Confident	113 Å²	113	105.4 Å²	105.4	50%	0.496	51%	0.508	S	S	.	.	H	α-helix	trans	-63.9	-41.1	173.7	173	-98	0	0	0	111.8	D144 Y145 K146 Y151 Y152	D144-F148 WeakPolarHBondContact O-CB 3.34Å; D144-F148 PolarHBondContact O-N 3.35Å; Y145-F148 WeakPolarHBondContact O-CB 3.32Å; Y145-F148 PolarHBondContact O-N 2.92Å; K146-F148 VanDerWaalsContact C-N 3.29Å; K146-F148 PolarHBondContact O-N 3.42Å; F148-Y151 PolarHBondContact O-N 2.95Å; F148-Y152 HydrophobicContact CZ-CD2 4.39Å; F148-Y152 WeakPolarHBondContact O-CB 3.41Å; F148-Y152 PolarHBondContact O-N 3.38Å
149	L	83.9	Confident	74.4	Confident	60 Å²	60	109 Å²	109	31%	0.314	52%	0.524	S	S	.	.	H	α-helix	trans	-69.1	-39.2	173.3	-71.9	176.3	0	0	0	112.9	Y145 K146 Y151 Y152 N153	Y145-L149 HydrophobicContact CD1-CD1 4.04Å; Y145-L149 HydrophobicContact CE1-CD1 3.47Å; Y145-L149 VanDerWaalsContact CE1-CD1 3.47Å; Y145-L149 HydrophobicContact CE1-CG 4.1Å; Y145-L149 PolarHBondContact O-N 2.87Å; K146-L149 CarbonylContact O-C 3.59Å; K146-L149 PolarHBondContact O-N 3.34Å; K146-L149 VanDerWaalsContact O-N 3.09Å; L149-Y151 VanDerWaalsContact C-N 3.28Å; L149-Y151 PolarHBondContact O-N 2.85Å; L149-Y152 PolarHBondContact O-N 2.83Å; L149-N153 VanDerWaalsContact O-CB 3.31Å; L149-N153 WeakPolarHBondContact O-CB 3.28Å; L149-N153 VanDerWaalsContact O-CG 3.28Å; L149-N153 PolarHBondContact O-N 3.16Å; L149-N153 PolarHBondContact O-ND2 2.93Å
150	E	82.6	Confident	73	Confident	133 Å²	133	110 Å²	110	62%	0.621	54%	0.535	S	S	*	.	H	α-helix	trans	-62.4	-36.6	173.9	-72.3	163.5	-173.9	0	0	111.5	K146 R147 G154	K146-E150 WeakPolarHBondContact O-CG 3.47Å; K146-E150 PolarHBondContact O-N 2.96Å; R147-E150 PolarHBondContact O-N 3.18Å; E150-G154 VanDerWaalsContact O-CA 3.31Å; E150-G154 WeakPolarHBondContact O-CA 3.34Å; E150-G154 PolarHBondContact O-N 3.22Å
151	Y	82.1	Confident	71.8	Confident	137 Å²	137	111 Å²	111	54%	0.537	54%	0.539	S	S	.	.	H	α-helix	trans	-70.7	-50.7	172.8	179.7	-114.5	0	0	0	111.7	R147 F148 L149 N153 G154 D155	R147-Y151 VanDerWaalsContact O-CB 3.29Å; R147-Y151 WeakPolarHBondContact O-CB 3.41Å; R147-Y151 PolarHBondContact O-N 2.85Å; F148-Y151 PolarHBondContact O-N 2.95Å; L149-Y151 VanDerWaalsContact C-N 3.28Å; L149-Y151 PolarHBondContact O-N 2.85Å; Y151-N153 VanDerWaalsContact C-N 3.33Å; Y151-N153 PolarHBondContact O-N 2.88Å; Y151-G154 PolarHBondContact O-N 2.84Å; Y151-G154 VanDerWaalsContact O-N 3.17Å; Y151-D155 WeakPolarHBondContact CE2-OD1 3.38Å; Y151-D155 WeakPolarHBondContact CE2-OD2 3.33Å; Y151-D155 PolarHBondContact O-N 3.41Å; Y151-D155 VanDerWaalsContact O-N 3.09Å; Y151-D155 PolarHBondContact OH-OD2 3.45Å
152	Y	79.9	Confident	71.1	Confident	163 Å²	163	108.9 Å²	108.9	64%	0.639	54%	0.535	S	S	*	.	H	α-helix	trans	-60.7	-37	-179.1	-174.7	-88.5	0	0	0	113.4	F148 L149	F148-Y152 HydrophobicContact CZ-CD2 4.39Å; F148-Y152 WeakPolarHBondContact O-CB 3.41Å; F148-Y152 PolarHBondContact O-N 3.38Å; L149-Y152 PolarHBondContact O-N 2.83Å
153	N	74.9	Confident	69.9	Low	108 Å²	108	110.1 Å²	110.1	58%	0.578	55%	0.547	S	S	*	.	H	α-helix	trans	-86.5	-26.6	175.5	-61.4	-45.5	0	0	0	112.6	L149 Y151	L149-N153 VanDerWaalsContact O-CB 3.31Å; L149-N153 WeakPolarHBondContact O-CB 3.28Å; L149-N153 VanDerWaalsContact O-CG 3.28Å; L149-N153 PolarHBondContact O-N 3.16Å; L149-N153 PolarHBondContact O-ND2 2.93Å; Y151-N153 VanDerWaalsContact C-N 3.33Å; Y151-N153 PolarHBondContact O-N 2.88Å
154	G	60.8	Low	69.1	Low	17 Å²	17	113.7 Å²	113.7	18%	0.175	56%	0.556	C	S	.	*	H	α-helix	trans	-82.2	-12.5	-177.3	0	0	0	0	0	115.2	E150 Y151 E156 E157	E150-G154 VanDerWaalsContact O-CA 3.31Å; E150-G154 WeakPolarHBondContact O-CA 3.34Å; E150-G154 PolarHBondContact O-N 3.22Å; Y151-G154 PolarHBondContact O-N 2.84Å; Y151-G154 VanDerWaalsContact O-N 3.17Å; G154-E156 VanDerWaalsContact C-N 3.29Å; G154-E157 PolarHBondContact O-N 3.34Å
155	D	55	Low	68.3	Low	62 Å²	62	112.4 Å²	112.4	33%	0.332	55%	0.553	S	S	.	*	H	α-helix	trans	-72.2	-19.2	173.9	-87.2	-0.4	0	0	0	112.8	Y151 L159	Y151-D155 WeakPolarHBondContact CE2-OD1 3.38Å; Y151-D155 WeakPolarHBondContact CE2-OD2 3.33Å; Y151-D155 PolarHBondContact O-N 3.41Å; Y151-D155 VanDerWaalsContact O-N 3.09Å; Y151-D155 PolarHBondContact OH-OD2 3.45Å; D155-L159 WeakPolarHBondContact O-CG 3.46Å
156	E	52.7	Low	67.5	Low	164 Å²	164	112.6 Å²	112.6	77%	0.766	56%	0.559	S	S	*	*	H	α-helix	trans	-63.7	-40.9	170.1	-77.1	-92.6	119.3	0	0	112	G154	G154-E156 VanDerWaalsContact C-N 3.29Å
157	E	57.6	Low	66.7	Low	162 Å²	162	113.2 Å²	113.2	76%	0.757	57%	0.566	S	S	*	*	H	α-helix	trans	-84.4	-23.4	-171.6	-161.3	170.5	-139.1	0	0	113.1	G154 T160	G154-E157 PolarHBondContact O-N 3.34Å; E157-T160 PolarHBondContact O-OG1 2.97Å; E157-T160 VanDerWaalsContact O-OG1 3.06Å
158	K	53.7	Low	66.1	Low	140 Å²	140	113 Å²	113	61%	0.609	57%	0.572	S	S	*	*	H	α-helix	trans	-85.6	-8.7	-177.4	-71.7	175.5	-176.5	166.8	0	115	T160 S161	K158-T160 PolarHBondContact O-N 3.07Å; K158-S161 PolarHBondContact O-N 2.92Å
159	L	49.7	Very low	65.5	Low	134 Å²	134	113.6 Å²	113.6	70%	0.702	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	4.9	172.6	-74.2	165	0	0	0	114	D155 S161	D155-L159 WeakPolarHBondContact O-CG 3.46Å; L159-S161 VanDerWaalsContact C-N 3.31Å
160	T	48.2	Very low	64.9	Low	127 Å²	127	115 Å²	115	78%	0.779	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-11	170.4	48.7	0	0	0	0	113.8	E157 K158	E157-T160 PolarHBondContact O-OG1 2.97Å; E157-T160 VanDerWaalsContact O-OG1 3.06Å; K158-T160 PolarHBondContact O-N 3.07Å
161	S	53.8	Low	64.5	Low	83 Å²	83	115.4 Å²	115.4	58%	0.58	59%	0.585	S	S	*	*	S	Bend	trans	-70.6	137.2	171.7	-64.9	0	0	0	0	111.2	K158 L159	K158-S161 PolarHBondContact O-N 2.92Å; L159-S161 VanDerWaalsContact C-N 3.31Å
162	T	61.9	Low	64	Low	87 Å²	87	111.6 Å²	111.6	53%	0.534	58%	0.582	S	S	.	*			trans	-62.7	144.2	-175.8	41.4	0	0	0	0	112.8	E164 T165	T162-E164 PolarHBondContact O-N 3.01Å; T162-T165 PolarHBondContact O-N 2.79Å; T162-T165 PolarHBondContact O-OG1 3.4Å
163	P	63.1	Low	63.5	Low	98 Å²	98	111.8 Å²	111.8	64%	0.636	58%	0.581	S	S	*	*	H	α-helix	trans	-65.6	-17.7	-169	25.5	-35.5	0	0	0	114.6	L167	P163-L167 PolarHBondContact O-N 3.01Å
164	E	65.8	Low	63.1	Low	157 Å²	157	109.8 Å²	109.8	73%	0.734	58%	0.576	S	S	*	*	H	α-helix	trans	-75.2	-38.4	-179.4	-61.8	179.6	145.7	0	0	112.3	T162 L167 E168	T162-E164 PolarHBondContact O-N 3.01Å; E164-L167 PolarHBondContact O-N 3.45Å; E164-E168 PolarHBondContact O-N 3.19Å
165	T	66.5	Low	63.6	Low	76 Å²	76	116.6 Å²	116.6	47%	0.466	60%	0.601	S	S	.	*	H	α-helix	trans	-70.5	-35.1	178.3	57.7	0	0	0	0	111.6	T162 L167 E168 E169	T162-T165 PolarHBondContact O-N 2.79Å; T162-T165 PolarHBondContact O-OG1 3.4Å; T165-L167 VanDerWaalsContact C-N 3.34Å; T165-E168 PolarHBondContact O-N 3.42Å; T165-E169 WeakPolarHBondContact O-CB 3.42Å; T165-E169 PolarHBondContact O-N 2.66Å
166	L	68.8	Low	64.1	Low	94 Å²	94	118.2 Å²	118.2	49%	0.492	61%	0.606	S	S	.	*	H	α-helix	trans	-63.7	-38.6	173.2	-175.6	64.8	0	0	0	111.8	I170	L166-I170 HydrophobicContact CD1-CD1 4.21Å; L166-I170 HydrophobicContact CG-CD1 3.99Å; L166-I170 WeakPolarHBondContact O-CB 3.47Å; L166-I170 WeakPolarHBondContact O-CD1 3.47Å; L166-I170 WeakPolarHBondContact O-CG1 3.44Å; L166-I170 PolarHBondContact O-N 3.44Å
167	L	68.7	Low	64.4	Low	106 Å²	106	114.5 Å²	114.5	56%	0.555	59%	0.591	S	S	*	*	H	α-helix	trans	-65.1	-46.7	174.2	-87	163.1	0	0	0	111.8	P163 E164 T165 E169 I170 E171	P163-L167 PolarHBondContact O-N 3.01Å; E164-L167 PolarHBondContact O-N 3.45Å; T165-L167 VanDerWaalsContact C-N 3.34Å; L167-E169 PolarHBondContact O-N 3.41Å; L167-I170 PolarHBondContact O-N 2.82Å; L167-E171 PolarHBondContact O-N 2.66Å
168	E	72.9	Confident	64.6	Low	151 Å²	151	113.8 Å²	113.8	71%	0.706	59%	0.588	S	S	*	*	H	α-helix	trans	-63.7	-40.8	178.2	-172.1	169.7	-155.5	0	0	112.2	E164 T165 E171 A172	E164-E168 PolarHBondContact O-N 3.19Å; T165-E168 PolarHBondContact O-N 3.42Å; E168-E171 PolarHBondContact O-N 2.82Å; E168-A172 VanDerWaalsContact O-CB 3.24Å; E168-A172 WeakPolarHBondContact O-CB 3.3Å; E168-A172 PolarHBondContact O-N 2.91Å
169	E	72.1	Confident	65	Low	126 Å²	126	110.5 Å²	110.5	59%	0.589	59%	0.587	S	S	*	*	H	α-helix	trans	-65.2	-41.2	175.4	-167.7	-178.2	172.2	0	0	111.9	T165 L167 A172 R173	T165-E169 WeakPolarHBondContact O-CB 3.42Å; T165-E169 PolarHBondContact O-N 2.66Å; L167-E169 PolarHBondContact O-N 3.41Å; E169-A172 PolarHBondContact O-N 2.59Å; E169-R173 WeakPolarHBondContact O-CB 3.36Å; E169-R173 PolarHBondContact O-N 2.71Å
170	I	71.5	Confident	65.7	Low	91 Å²	91	111.1 Å²	111.1	47%	0.467	58%	0.584	S	S	.	*	H	α-helix	trans	-63.1	-44.1	175.5	-72.7	167.6	0	0	0	111.1	L166 L167 S174	L166-I170 HydrophobicContact CD1-CD1 4.21Å; L166-I170 HydrophobicContact CG-CD1 3.99Å; L166-I170 WeakPolarHBondContact O-CB 3.47Å; L166-I170 WeakPolarHBondContact O-CD1 3.47Å; L166-I170 WeakPolarHBondContact O-CG1 3.44Å; L166-I170 PolarHBondContact O-N 3.44Å; L167-I170 PolarHBondContact O-N 2.82Å; I170-S174 VanDerWaalsContact O-CB 3.23Å; I170-S174 WeakPolarHBondContact O-CB 3.41Å; I170-S174 PolarHBondContact O-N 2.74Å; I170-S174 PolarHBondContact O-OG 2.69Å
171	E	74.6	Confident	66.2	Low	141 Å²	141	113.9 Å²	113.9	66%	0.659	58%	0.58	S	S	*	*	H	α-helix	trans	-66.3	-44.8	177.4	-76	-161.3	-171.4	0	0	111.9	L167 E168 S174 K175	L167-E171 PolarHBondContact O-N 2.66Å; E168-E171 PolarHBondContact O-N 2.82Å; E171-S174 PolarHBondContact O-N 2.73Å; E171-K175 WeakPolarHBondContact O-CB 3.48Å; E171-K175 PolarHBondContact O-N 3.15Å
172	A	71.2	Confident	66.7	Low	56 Å²	56	112.7 Å²	112.7	46%	0.463	57%	0.569	S	S	.	*	H	α-helix	trans	-59.4	-50	177	0	0	0	0	0	111.5	E168 E169 S174 K175 E176	E168-A172 VanDerWaalsContact O-CB 3.24Å; E168-A172 WeakPolarHBondContact O-CB 3.3Å; E168-A172 PolarHBondContact O-N 2.91Å; E169-A172 PolarHBondContact O-N 2.59Å; A172-S174 PolarHBondContact O-N 2.89Å; A172-K175 PolarHBondContact O-N 3.48Å; A172-E176 WeakPolarHBondContact O-CB 3.4Å; A172-E176 PolarHBondContact O-N 3.31Å
173	R	70.8	Confident	67.4	Low	167 Å²	167	111.9 Å²	111.9	63%	0.63	57%	0.565	S	S	*	*	H	α-helix	trans	-64	-38.5	179	-164.9	177.6	-167.1	-170.4	7.3	112	E169 L177	E169-R173 WeakPolarHBondContact O-CB 3.36Å; E169-R173 PolarHBondContact O-N 2.71Å; R173-L177 HydrophobicContact CG-CD1 4.26Å; R173-L177 WeakPolarHBondContact O-CB 3.03Å; R173-L177 WeakPolarHBondContact O-CD1 3.32Å; R173-L177 PolarHBondContact O-N 2.77Å
174	S	65.9	Low	67.9	Low	67 Å²	67	112.6 Å²	112.6	47%	0.469	57%	0.569	S	S	.	*	H	α-helix	trans	-65.9	-47.1	176	-60.5	0	0	0	0	112	I170 E171 A172 E176 L177 E178	I170-S174 VanDerWaalsContact O-CB 3.23Å; I170-S174 WeakPolarHBondContact O-CB 3.41Å; I170-S174 PolarHBondContact O-N 2.74Å; I170-S174 PolarHBondContact O-OG 2.69Å; E171-S174 PolarHBondContact O-N 2.73Å; A172-S174 PolarHBondContact O-N 2.89Å; S174-E176 VanDerWaalsContact C-N 3.34Å; S174-E176 PolarHBondContact O-N 2.66Å; S174-L177 PolarHBondContact O-N 3.11Å; S174-E178 PolarHBondContact O-N 3.06Å
175	K	72.4	Confident	68.2	Low	159 Å²	159	110.7 Å²	110.7	69%	0.691	56%	0.563	S	S	*	*	H	α-helix	trans	-64.5	-36.8	178.3	-172.6	176.4	-176.8	177.7	0	112	E171 A172 A179	E171-K175 WeakPolarHBondContact O-CB 3.48Å; E171-K175 PolarHBondContact O-N 3.15Å; A172-K175 PolarHBondContact O-N 3.48Å; K175-A179 WeakPolarHBondContact O-CB 3.23Å; K175-A179 PolarHBondContact O-N 2.97Å
176	E	64.9	Low	68.7	Low	97 Å²	97	111.5 Å²	111.5	45%	0.453	56%	0.564	S	S	.	*	H	α-helix	trans	-67.8	-42.1	172.8	-161.1	-163	-157	0	0	111.6	A172 S174 A179 K180	A172-E176 WeakPolarHBondContact O-CB 3.4Å; A172-E176 PolarHBondContact O-N 3.31Å; S174-E176 VanDerWaalsContact C-N 3.34Å; S174-E176 PolarHBondContact O-N 2.66Å; E176-A179 PolarHBondContact O-N 2.91Å; E176-K180 HydrophobicContact CG-CD 4.14Å; E176-K180 WeakPolarHBondContact O-CB 2.92Å; E176-K180 WeakPolarHBondContact O-CG 3.35Å; E176-K180 PolarHBondContact O-N 2.71Å; E176-K180 VanDerWaalsContact OE1-CE 3.27Å; E176-K180 WeakPolarHBondContact OE1-CE 3.43Å; E176-K180 IonicContact OE1-NZ 2.71Å; E176-K180 PolarHBondContact OE1-NZ 2.91Å; E176-K180 IonicContact OE2-NZ 2.73Å; E176-K180 PolarHBondContact OE2-NZ 3.49Å
177	L	58.7	Low	69.2	Low	85 Å²	85	110.3 Å²	110.3	45%	0.445	56%	0.558	S	S	.	*	H	α-helix	trans	-64.5	-37.7	174	-104.8	106.8	0	0	0	112.8	R173 S174 K180 R181	R173-L177 HydrophobicContact CG-CD1 4.26Å; R173-L177 WeakPolarHBondContact O-CB 3.03Å; R173-L177 WeakPolarHBondContact O-CD1 3.32Å; R173-L177 PolarHBondContact O-N 2.77Å; S174-L177 PolarHBondContact O-N 3.11Å; L177-K180 PolarHBondContact O-N 2.79Å; L177-R181 VanDerWaalsContact O-CB 3.29Å; L177-R181 WeakPolarHBondContact O-CB 3.36Å; L177-R181 WeakPolarHBondContact O-CG 3.45Å; L177-R181 PolarHBondContact O-N 2.62Å; L177-R181 VanDerWaalsContact O-N 3.09Å
178	E	61.8	Low	69.6	Low	147 Å²	147	111 Å²	111	69%	0.687	56%	0.557	S	S	*	*	H	α-helix	trans	-62.9	-49.1	172.2	-74.8	-155.8	127.9	0	0	111.3	S174 K180 R181 T182	S174-E178 PolarHBondContact O-N 3.06Å; E178-K180 VanDerWaalsContact C-N 3.25Å; E178-K180 PolarHBondContact O-N 2.84Å; E178-R181 CarbonylContact O-C 3.52Å; E178-R181 PolarHBondContact O-N 2.99Å; E178-T182 PolarHBondContact O-N 3.45Å
179	A	62.4	Low	70.2	Confident	71 Å²	71	108 Å²	108	59%	0.587	55%	0.546	S	S	*	.	H	α-helix	trans	-62.9	-28.6	178.5	0	0	0	0	0	113.5	K175 E176 T182	K175-A179 WeakPolarHBondContact O-CB 3.23Å; K175-A179 PolarHBondContact O-N 2.97Å; E176-A179 PolarHBondContact O-N 2.91Å; A179-T182 PolarHBondContact O-OG1 2.94Å; A179-T182 VanDerWaalsContact O-OG1 3.1Å
180	K	63.2	Low	70.6	Confident	148 Å²	148	108.3 Å²	108.3	64%	0.643	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-7.7	172.8	-70.4	174.2	-178.4	170.5	0	113.6	E176 L177 E178	E176-K180 HydrophobicContact CG-CD 4.14Å; E176-K180 WeakPolarHBondContact O-CB 2.92Å; E176-K180 WeakPolarHBondContact O-CG 3.35Å; E176-K180 PolarHBondContact O-N 2.71Å; E176-K180 VanDerWaalsContact OE1-CE 3.27Å; E176-K180 WeakPolarHBondContact OE1-CE 3.43Å; E176-K180 IonicContact OE1-NZ 2.71Å; E176-K180 PolarHBondContact OE1-NZ 2.91Å; E176-K180 IonicContact OE2-NZ 2.73Å; E176-K180 PolarHBondContact OE2-NZ 3.49Å; L177-K180 PolarHBondContact O-N 2.79Å; E178-K180 VanDerWaalsContact C-N 3.25Å; E178-K180 PolarHBondContact O-N 2.84Å
181	R	60	Low	70.8	Confident	184 Å²	184	109.1 Å²	109.1	69%	0.694	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.9	1	180	-64.7	-176.4	86.7	157.9	8.8	114.5	L177 E178 T183	L177-R181 VanDerWaalsContact O-CB 3.29Å; L177-R181 WeakPolarHBondContact O-CB 3.36Å; L177-R181 WeakPolarHBondContact O-CG 3.45Å; L177-R181 PolarHBondContact O-N 2.62Å; L177-R181 VanDerWaalsContact O-N 3.09Å; E178-R181 CarbonylContact O-C 3.52Å; E178-R181 PolarHBondContact O-N 2.99Å; R181-T183 PolarHBondContact O-N 2.89Å
182	T	63.6	Low	71	Confident	58 Å²	58	106.9 Å²	106.9	36%	0.356	54%	0.538	S	S	.	.			trans	-61.2	104.4	164.6	39.8	0	0	0	0	109.8	E178 A179	E178-T182 PolarHBondContact O-N 3.45Å; A179-T182 PolarHBondContact O-OG1 2.94Å; A179-T182 VanDerWaalsContact O-OG1 3.1Å
183	T	76.8	Confident	71.2	Confident	71 Å²	71	109.6 Å²	109.6	44%	0.436	54%	0.541	S	S	.	.			trans	-80.5	153.7	170.9	63.6	0	0	0	0	109.7	R181 L185 L186 D187	R181-T183 PolarHBondContact O-N 2.89Å; T183-L185 PolarHBondContact O-N 3.5Å; T183-L186 WeakPolarHBondContact O-CA 3.47Å; T183-L186 WeakPolarHBondContact O-CB 3.37Å; T183-L186 PolarHBondContact O-N 2.93Å; T183-D187 PolarHBondContact O-N 3.26Å; T183-D187 VanDerWaalsContact O-N 3.08Å
184	P	73.9	Confident	71.4	Confident	112 Å²	112	109.8 Å²	109.8	73%	0.727	54%	0.542	S	S	*	.	H	α-helix	trans	-55.3	-23.5	178.4	-28.6	35.8	0	0	0	114.7	F188	P184-F188 VanDerWaalsContact O-CB 3.29Å; P184-F188 WeakPolarHBondContact O-CB 3.37Å; P184-F188 PolarHBondContact O-N 3.09Å
185	L	70.7	Confident	71.8	Confident	118 Å²	118	111.8 Å²	111.8	62%	0.618	55%	0.547	S	S	*	.	H	α-helix	trans	-72.8	-40.2	172.7	-179.7	60.2	0	0	0	112.5	T183 F188 L189	T183-L185 PolarHBondContact O-N 3.5Å; L185-F188 PolarHBondContact O-N 3.33Å; L185-L189 HydrophobicContact CD1-CD1 4.42Å; L185-L189 HydrophobicContact CD1-CG 4.47Å; L185-L189 HydrophobicContact CG-CD1 4.24Å; L185-L189 WeakPolarHBondContact O-CB 3.39Å; L185-L189 VanDerWaalsContact O-CG 3.23Å; L185-L189 WeakPolarHBondContact O-CG 3.33Å; L185-L189 PolarHBondContact O-N 3.36Å
186	L	78.7	Confident	71.6	Confident	93 Å²	93	112.3 Å²	112.3	49%	0.487	55%	0.545	S	S	.	.	H	α-helix	trans	-66.3	-41.2	174.6	-68.8	174	0	0	0	110.7	T183 L189 K190	T183-L186 WeakPolarHBondContact O-CA 3.47Å; T183-L186 WeakPolarHBondContact O-CB 3.37Å; T183-L186 PolarHBondContact O-N 2.93Å; L186-L189 PolarHBondContact O-N 3.31Å; L186-K190 VanDerWaalsContact O-CB 3.28Å; L186-K190 WeakPolarHBondContact O-CB 3.28Å; L186-K190 PolarHBondContact O-N 3.29Å
187	D	77.7	Confident	72.1	Confident	68 Å²	68	111.9 Å²	111.9	36%	0.364	54%	0.542	S	S	.	.	H	α-helix	trans	-65	-42.2	175.2	-63.6	-42.6	0	0	0	111.8	T183 L189 K190 N191	T183-D187 PolarHBondContact O-N 3.26Å; T183-D187 VanDerWaalsContact O-N 3.08Å; D187-L189 VanDerWaalsContact C-N 3.33Å; D187-L189 PolarHBondContact O-N 2.85Å; D187-K190 PolarHBondContact O-N 3.4Å; D187-N191 WeakPolarHBondContact O-CB 3.3Å; D187-N191 PolarHBondContact O-N 2.93Å
188	F	78.9	Confident	72.7	Confident	120 Å²	120	113.7 Å²	113.7	53%	0.526	55%	0.549	S	S	.	.	H	α-helix	trans	-61.4	-39.7	172.6	-180	-105.3	0	0	0	112.3	P184 L185 K192	P184-F188 VanDerWaalsContact O-CB 3.29Å; P184-F188 WeakPolarHBondContact O-CB 3.37Å; P184-F188 PolarHBondContact O-N 3.09Å; L185-F188 PolarHBondContact O-N 3.33Å; F188-K192 HydrophobicContact CE1-CD 3.87Å; F188-K192 HydrophobicContact CZ-CD 4.17Å; F188-K192 WeakPolarHBondContact O-CB 3.46Å; F188-K192 PolarHBondContact O-N 2.88Å
189	L	83.8	Confident	73.3	Confident	90 Å²	90	114.1 Å²	114.1	47%	0.471	55%	0.548	S	S	.	.	H	α-helix	trans	-67.4	-44.2	176.2	-73.1	168.1	0	0	0	112	L185 L186 D187 K192 Q193	L185-L189 HydrophobicContact CD1-CD1 4.42Å; L185-L189 HydrophobicContact CD1-CG 4.47Å; L185-L189 HydrophobicContact CG-CD1 4.24Å; L185-L189 WeakPolarHBondContact O-CB 3.39Å; L185-L189 VanDerWaalsContact O-CG 3.23Å; L185-L189 WeakPolarHBondContact O-CG 3.33Å; L185-L189 PolarHBondContact O-N 3.36Å; L186-L189 PolarHBondContact O-N 3.31Å; D187-L189 VanDerWaalsContact C-N 3.33Å; D187-L189 PolarHBondContact O-N 2.85Å; L189-K192 PolarHBondContact O-N 2.98Å; L189-Q193 WeakPolarHBondContact O-CB 3.35Å; L189-Q193 PolarHBondContact O-N 3.33Å
190	K	80.4	Confident	73.6	Confident	132 Å²	132	117.8 Å²	117.8	57%	0.574	55%	0.551	S	S	*	*	H	α-helix	trans	-62.5	-43	176.7	-167.4	172.9	-174.3	174	0	111.4	L186 D187 Q193 R194	L186-K190 VanDerWaalsContact O-CB 3.28Å; L186-K190 WeakPolarHBondContact O-CB 3.28Å; L186-K190 PolarHBondContact O-N 3.29Å; D187-K190 PolarHBondContact O-N 3.4Å; K190-Q193 PolarHBondContact O-N 2.84Å; K190-R194 PolarHBondContact O-N 3.36Å
191	N	76.6	Confident	73.9	Confident	108 Å²	108	117.3 Å²	117.3	58%	0.578	55%	0.551	S	S	*	*	H	α-helix	trans	-71.2	-39.8	176.6	-160.4	11.1	0	0	0	111.9	D187 Q193 R194 L195	D187-N191 WeakPolarHBondContact O-CB 3.3Å; D187-N191 PolarHBondContact O-N 2.93Å; N191-Q193 VanDerWaalsContact C-N 3.26Å; N191-Q193 PolarHBondContact O-N 3.03Å; N191-R194 PolarHBondContact O-N 3.24Å; N191-L195 WeakPolarHBondContact O-CB 3.43Å; N191-L195 PolarHBondContact O-N 2.89Å
192	K	79.6	Confident	74.3	Confident	94 Å²	94	112.3 Å²	112.3	41%	0.409	54%	0.536	S	S	.	.	H	α-helix	trans	-65.1	-27.6	173	-177.5	174.8	-176.8	174.4	0	113	F188 L189 R196	F188-K192 HydrophobicContact CE1-CD 3.87Å; F188-K192 HydrophobicContact CZ-CD 4.17Å; F188-K192 WeakPolarHBondContact O-CB 3.46Å; F188-K192 PolarHBondContact O-N 2.88Å; L189-K192 PolarHBondContact O-N 2.98Å; K192-R196 WeakPolarHBondContact O-CD 3.46Å; K192-R196 VanDerWaalsContact O-CG 3.25Å; K192-R196 WeakPolarHBondContact O-CG 3.4Å; K192-R196 PolarHBondContact O-N 3.47Å
193	Q	75.6	Confident	74.3	Confident	112 Å²	112	117.7 Å²	117.7	52%	0.523	55%	0.55	S	S	.	.	H	α-helix	trans	-73.6	-49.8	169.5	178.1	162.9	-15	0	0	111	L189 K190 N191 L195 R196 E197	L189-Q193 WeakPolarHBondContact O-CB 3.35Å; L189-Q193 PolarHBondContact O-N 3.33Å; K190-Q193 PolarHBondContact O-N 2.84Å; N191-Q193 VanDerWaalsContact C-N 3.26Å; N191-Q193 PolarHBondContact O-N 3.03Å; Q193-L195 VanDerWaalsContact C-N 3.35Å; Q193-L195 PolarHBondContact O-N 2.87Å; Q193-R196 CarbonylContact O-C 3.55Å; Q193-R196 WeakPolarHBondContact O-CA 3.49Å; Q193-R196 WeakPolarHBondContact O-CB 3.48Å; Q193-R196 PolarHBondContact O-N 2.88Å; Q193-E197 WeakPolarHBondContact CG-OE1 3.45Å; Q193-E197 PolarHBondContact NE2-OE1 2.9Å; Q193-E197 PolarHBondContact O-N 2.87Å
194	R	74.5	Confident	73.9	Confident	172 Å²	172	123 Å²	123	65%	0.649	56%	0.562	S	S	*	*	H	α-helix	trans	-53.5	-48.1	174.4	-78.4	-174.1	165	-152.6	-5.8	112.4	K190 N191 R196 E197 E198	K190-R194 PolarHBondContact O-N 3.36Å; N191-R194 PolarHBondContact O-N 3.24Å; R194-R196 PolarHBondContact O-N 3.36Å; R194-E197 CarbonylContact O-C 3.48Å; R194-E197 PolarHBondContact O-N 2.67Å; R194-E198 VanDerWaalsContact O-CB 3.32Å; R194-E198 WeakPolarHBondContact O-CB 3.47Å; R194-E198 PolarHBondContact O-N 3.19Å
195	L	73.9	Confident	73.7	Confident	109 Å²	109	126.4 Å²	126.4	57%	0.571	56%	0.56	S	S	*	*	H	α-helix	trans	-63.6	-24.4	178	-161.2	73.3	0	0	0	113.2	N191 Q193 K199	N191-L195 WeakPolarHBondContact O-CB 3.43Å; N191-L195 PolarHBondContact O-N 2.89Å; Q193-L195 VanDerWaalsContact C-N 3.35Å; Q193-L195 PolarHBondContact O-N 2.87Å; L195-K199 VanDerWaalsContact O-CB 3.25Å; L195-K199 WeakPolarHBondContact O-CB 3.49Å; L195-K199 PolarHBondContact O-N 3.19Å
196	R	69.1	Low	73.5	Confident	170 Å²	170	127 Å²	127	64%	0.642	55%	0.554	S	S	*	*	H	α-helix	trans	-81.3	-28.3	172.2	-79	170.2	161.9	-171.3	-6.7	112.9	K192 Q193 R194 K200	K192-R196 WeakPolarHBondContact O-CD 3.46Å; K192-R196 VanDerWaalsContact O-CG 3.25Å; K192-R196 WeakPolarHBondContact O-CG 3.4Å; K192-R196 PolarHBondContact O-N 3.47Å; Q193-R196 CarbonylContact O-C 3.55Å; Q193-R196 WeakPolarHBondContact O-CA 3.49Å; Q193-R196 WeakPolarHBondContact O-CB 3.48Å; Q193-R196 PolarHBondContact O-N 2.88Å; R194-R196 PolarHBondContact O-N 3.36Å; R196-K200 WeakPolarHBondContact O-CG 3.46Å; R196-K200 PolarHBondContact O-N 2.87Å
197	E	73.9	Confident	73	Confident	87 Å²	87	127.6 Å²	127.6	41%	0.407	55%	0.554	S	S	.	*	H	α-helix	trans	-79.5	-48.3	176.3	-74	159.1	179.7	0	0	110	Q193 R194 K199 K200 E201	Q193-E197 WeakPolarHBondContact CG-OE1 3.45Å; Q193-E197 PolarHBondContact NE2-OE1 2.9Å; Q193-E197 PolarHBondContact O-N 2.87Å; R194-E197 CarbonylContact O-C 3.48Å; R194-E197 PolarHBondContact O-N 2.67Å; E197-K199 VanDerWaalsContact C-N 3.31Å; E197-K199 PolarHBondContact O-N 3.47Å; E197-K200 CarbonylContact O-C 3.59Å; E197-K200 WeakPolarHBondContact O-CA 3.34Å; E197-K200 WeakPolarHBondContact O-CB 3.48Å; E197-K200 PolarHBondContact O-N 3.35Å; E197-E201 PolarHBondContact O-N 2.85Å
198	E	71.9	Confident	72.5	Confident	123 Å²	123	129.7 Å²	129.7	58%	0.575	57%	0.565	S	S	*	*	H	α-helix	trans	-52.5	-45.1	169.8	-175.2	176.3	-158.5	0	0	111.5	R194 K200 E201 E202	R194-E198 VanDerWaalsContact O-CB 3.32Å; R194-E198 WeakPolarHBondContact O-CB 3.47Å; R194-E198 PolarHBondContact O-N 3.19Å; E198-K200 VanDerWaalsContact C-N 3.27Å; E198-K200 PolarHBondContact O-N 2.85Å; E198-E201 CarbonylContact O-C 3.59Å; E198-E201 PolarHBondContact O-N 3.49Å; E198-E201 VanDerWaalsContact O-N 3.15Å; E198-E202 WeakPolarHBondContact O-CB 3.26Å; E198-E202 PolarHBondContact O-N 2.8Å
199	K	74	Confident	72.1	Confident	156 Å²	156	130 Å²	130	68%	0.678	57%	0.568	S	S	*	*	H	α-helix	trans	-66.6	-21.6	175.8	-171.2	163.9	-174.1	165.7	0	114.5	L195 E197	L195-K199 VanDerWaalsContact O-CB 3.25Å; L195-K199 WeakPolarHBondContact O-CB 3.49Å; L195-K199 PolarHBondContact O-N 3.19Å; E197-K199 VanDerWaalsContact C-N 3.31Å; E197-K199 PolarHBondContact O-N 3.47Å
200	K	69.6	Low	71.3	Confident	148 Å²	148	134.3 Å²	134.3	64%	0.643	58%	0.578	S	S	*	*	H	α-helix	trans	-82.4	-38.8	170.1	-69.2	167.3	-179.1	176.8	0	111.2	R196 E197 E198 R203 R204	R196-K200 WeakPolarHBondContact O-CG 3.46Å; R196-K200 PolarHBondContact O-N 2.87Å; E197-K200 CarbonylContact O-C 3.59Å; E197-K200 WeakPolarHBondContact O-CA 3.34Å; E197-K200 WeakPolarHBondContact O-CB 3.48Å; E197-K200 PolarHBondContact O-N 3.35Å; E198-K200 VanDerWaalsContact C-N 3.27Å; E198-K200 PolarHBondContact O-N 2.85Å; K200-R203 WeakPolarHBondContact O-CB 3.3Å; K200-R203 PolarHBondContact O-N 3.47Å; K200-R204 PolarHBondContact O-N 3.09Å; K200-R204 VanDerWaalsContact O-N 3.1Å
201	E	67.8	Low	71	Confident	138 Å²	138	134 Å²	134	65%	0.645	58%	0.576	S	S	*	*	H	α-helix	trans	-70.9	-39.5	179.6	-174.6	153.6	-132.7	0	0	111.9	E197 E198 R203 R204 R205	E197-E201 PolarHBondContact O-N 2.85Å; E198-E201 CarbonylContact O-C 3.59Å; E198-E201 PolarHBondContact O-N 3.49Å; E198-E201 VanDerWaalsContact O-N 3.15Å; E201-R203 VanDerWaalsContact C-N 3.26Å; E201-R203 PolarHBondContact O-N 3.31Å; E201-R204 CarbonylContact O-C 3.56Å; E201-R204 WeakPolarHBondContact O-CB 3.48Å; E201-R204 PolarHBondContact O-N 3.31Å; E201-R204 VanDerWaalsContact O-N 3.11Å; E201-R205 WeakPolarHBondContact O-CB 3.48Å; E201-R205 PolarHBondContact O-N 3.23Å
202	E	68.9	Low	70.6	Confident	80 Å²	80	138 Å²	138	37%	0.374	58%	0.584	S	S	.	*	H	α-helix	trans	-57.4	-39	170.4	-168.3	-157.6	-152.3	0	0	111.2	E198 R205 R206	E198-E202 WeakPolarHBondContact O-CB 3.26Å; E198-E202 PolarHBondContact O-N 2.8Å; E202-R205 PolarHBondContact O-N 3.3Å; E202-R206 VanDerWaalsContact CD-CZ 3.42Å; E202-R206 VanDerWaalsContact CD-NH2 3.31Å; E202-R206 WeakPolarHBondContact O-CG 3.43Å; E202-R206 PolarHBondContact O-N 3.45Å; E202-R206 IonicContact OE1-CZ 2.89Å; E202-R206 VanDerWaalsContact OE1-CZ 3.25Å; E202-R206 IonicContact OE1-NH1 3.23Å; E202-R206 PolarHBondContact OE1-NH1 3.06Å; E202-R206 IonicContact OE1-NH2 2.69Å; E202-R206 PolarHBondContact OE1-NH2 2.72Å; E202-R206 IonicContact OE2-CZ 2.67Å; E202-R206 IonicContact OE2-NH1 2.82Å; E202-R206 PolarHBondContact OE2-NH1 2.83Å; E202-R206 IonicContact OE2-NH2 3.16Å
203	R	64.1	Low	70.1	Confident	171 Å²	171	139.4 Å²	139.4	65%	0.645	60%	0.595	S	S	*	*	H	α-helix	trans	-65.1	-46.1	173.3	-171.4	178.1	179.3	165.2	4.9	111.6	K200 E201 R205 R206 E207	K200-R203 WeakPolarHBondContact O-CB 3.3Å; K200-R203 PolarHBondContact O-N 3.47Å; E201-R203 VanDerWaalsContact C-N 3.26Å; E201-R203 PolarHBondContact O-N 3.31Å; R203-R205 VanDerWaalsContact C-N 3.32Å; R203-R205 PolarHBondContact O-N 3.25Å; R203-R206 PolarHBondContact O-N 2.88Å; R203-E207 IonicContact NE-OE1 2.61Å; R203-E207 WeakPolarHBondContact O-CG 3.48Å; R203-E207 PolarHBondContact O-N 2.65Å
204	R	67.9	Low	69.6	Low	182 Å²	182	140.7 Å²	140.7	69%	0.687	60%	0.595	S	S	*	*	H	α-helix	trans	-61.9	-37.7	173.8	-74.4	-178.9	168.6	-176.2	-4	112.3	K200 E201 E207 L208	K200-R204 PolarHBondContact O-N 3.09Å; K200-R204 VanDerWaalsContact O-N 3.1Å; E201-R204 CarbonylContact O-C 3.56Å; E201-R204 WeakPolarHBondContact O-CB 3.48Å; E201-R204 PolarHBondContact O-N 3.31Å; E201-R204 VanDerWaalsContact O-N 3.11Å; R204-E207 PolarHBondContact O-N 2.93Å; R204-L208 WeakPolarHBondContact O-CB 3.44Å; R204-L208 WeakPolarHBondContact O-CG 3.33Å; R204-L208 PolarHBondContact O-N 3.38Å
205	R	70.6	Confident	69.6	Low	183 Å²	183	136.2 Å²	136.2	69%	0.691	58%	0.584	S	S	*	*	H	α-helix	trans	-65.2	-47.2	177.3	-174.5	176	174	179.9	-1.7	111	E201 E202 R203 E207 L208 E209	E201-R205 WeakPolarHBondContact O-CB 3.48Å; E201-R205 PolarHBondContact O-N 3.23Å; E202-R205 PolarHBondContact O-N 3.3Å; R203-R205 VanDerWaalsContact C-N 3.32Å; R203-R205 PolarHBondContact O-N 3.25Å; R205-E207 VanDerWaalsContact C-N 3.31Å; R205-E207 PolarHBondContact O-N 3.44Å; R205-L208 PolarHBondContact O-N 2.87Å; R205-E209 VanDerWaalsContact O-CB 3.27Å; R205-E209 WeakPolarHBondContact O-CB 3.5Å; R205-E209 PolarHBondContact O-N 2.97Å
206	R	66.3	Low	69.5	Low	131 Å²	131	136.3 Å²	136.3	49%	0.494	58%	0.581	S	S	.	*	H	α-helix	trans	-62.5	-34.3	172.8	-73.2	-174.1	-178.5	111.7	7.6	112.9	E202 R203 R210	E202-R206 VanDerWaalsContact CD-CZ 3.42Å; E202-R206 VanDerWaalsContact CD-NH2 3.31Å; E202-R206 WeakPolarHBondContact O-CG 3.43Å; E202-R206 PolarHBondContact O-N 3.45Å; E202-R206 IonicContact OE1-CZ 2.89Å; E202-R206 VanDerWaalsContact OE1-CZ 3.25Å; E202-R206 IonicContact OE1-NH1 3.23Å; E202-R206 PolarHBondContact OE1-NH1 3.06Å; E202-R206 IonicContact OE1-NH2 2.69Å; E202-R206 PolarHBondContact OE1-NH2 2.72Å; E202-R206 IonicContact OE2-CZ 2.67Å; E202-R206 IonicContact OE2-NH1 2.82Å; E202-R206 PolarHBondContact OE2-NH1 2.83Å; E202-R206 IonicContact OE2-NH2 3.16Å; R203-R206 PolarHBondContact O-N 2.88Å; R206-R210 VanDerWaalsContact O-CB 3.31Å; R206-R210 WeakPolarHBondContact O-CB 3.47Å; R206-R210 WeakPolarHBondContact O-CG 3.32Å; R206-R210 PolarHBondContact O-N 3.41Å
207	E	68.4	Low	69.7	Low	106 Å²	106	134.3 Å²	134.3	50%	0.495	58%	0.579	S	S	.	*	H	α-helix	trans	-71	-40.9	174.3	-77.3	171.7	-179.6	0	0	112.3	R203 R204 R205 R210 K211	R203-E207 IonicContact NE-OE1 2.61Å; R203-E207 WeakPolarHBondContact O-CG 3.48Å; R203-E207 PolarHBondContact O-N 2.65Å; R204-E207 PolarHBondContact O-N 2.93Å; R205-E207 VanDerWaalsContact C-N 3.31Å; R205-E207 PolarHBondContact O-N 3.44Å; E207-R210 CarbonylContact O-C 3.6Å; E207-R210 PolarHBondContact O-N 2.84Å; E207-K211 WeakPolarHBondContact O-CB 3.49Å; E207-K211 PolarHBondContact O-N 3.27Å
208	L	67.1	Low	69.4	Low	112 Å²	112	138.3 Å²	138.3	59%	0.586	59%	0.59	S	S	*	*	H	α-helix	trans	-65.6	-37.2	173.4	-79.8	164.1	0	0	0	112.4	R204 R205 K211 R212	R204-L208 WeakPolarHBondContact O-CB 3.44Å; R204-L208 WeakPolarHBondContact O-CG 3.33Å; R204-L208 PolarHBondContact O-N 3.38Å; R205-L208 PolarHBondContact O-N 2.87Å; L208-K211 PolarHBondContact O-N 2.89Å; L208-R212 PolarHBondContact O-N 3.02Å
209	E	69.9	Low	69.4	Low	125 Å²	125	140.1 Å²	140.1	58%	0.584	59%	0.592	S	S	*	*	H	α-helix	trans	-66.9	-48.3	173.8	-175.1	169	-126	0	0	111.2	R205 K211 R212 L213	R205-E209 VanDerWaalsContact O-CB 3.27Å; R205-E209 WeakPolarHBondContact O-CB 3.5Å; R205-E209 PolarHBondContact O-N 2.97Å; E209-K211 PolarHBondContact O-N 2.98Å; E209-R212 PolarHBondContact O-N 3.33Å; E209-L213 PolarHBondContact O-N 3.32Å
210	R	67.9	Low	69.4	Low	182 Å²	182	139.2 Å²	139.2	69%	0.687	59%	0.588	S	S	*	*	H	α-helix	trans	-63.2	-16.5	169.6	-81.6	-176	157.7	-154.8	-6.3	114.1	R206 E207 R214	R206-R210 VanDerWaalsContact O-CB 3.31Å; R206-R210 WeakPolarHBondContact O-CB 3.47Å; R206-R210 WeakPolarHBondContact O-CG 3.32Å; R206-R210 PolarHBondContact O-N 3.41Å; E207-R210 CarbonylContact O-C 3.6Å; E207-R210 PolarHBondContact O-N 2.84Å; R210-R214 PolarHBondContact O-NE 3.47Å; R210-R214 PolarHBondContact O-NH2 3.44Å
211	K	73.4	Confident	69.5	Low	124 Å²	124	140.4 Å²	140.4	54%	0.539	59%	0.589	S	S	.	*	H	α-helix	trans	-85.4	-51.2	171.8	-173.7	172.2	179.4	-179.1	0	110.4	E207 L208 E209 L213 R214 D215	E207-K211 WeakPolarHBondContact O-CB 3.49Å; E207-K211 PolarHBondContact O-N 3.27Å; L208-K211 PolarHBondContact O-N 2.89Å; E209-K211 PolarHBondContact O-N 2.98Å; K211-L213 VanDerWaalsContact C-N 3.32Å; K211-L213 PolarHBondContact O-N 2.9Å; K211-R214 PolarHBondContact O-N 3.41Å; K211-R214 VanDerWaalsContact O-N 3.11Å; K211-D215 WeakPolarHBondContact CG-OD2 3.24Å; K211-D215 PolarHBondContact O-N 2.81Å
212	R	68.9	Low	69.6	Low	194 Å²	194	140.8 Å²	140.8	73%	0.732	58%	0.584	S	S	*	*	H	α-helix	trans	-50.1	-49.9	173.7	-81.7	-174	170.2	-164.8	-2.9	111.8	L208 E209 R214 D215 E216	L208-R212 PolarHBondContact O-N 3.02Å; E209-R212 PolarHBondContact O-N 3.33Å; R212-R214 VanDerWaalsContact C-N 3.27Å; R212-R214 PolarHBondContact O-N 2.84Å; R212-D215 PolarHBondContact O-N 3.01Å; R212-D215 VanDerWaalsContact O-N 3.13Å; R212-E216 WeakPolarHBondContact O-CB 3.43Å; R212-E216 PolarHBondContact O-N 3.1Å
213	L	69.4	Low	70	Confident	122 Å²	122	142.7 Å²	142.7	64%	0.639	59%	0.593	S	S	*	*	H	α-helix	trans	-55.8	-40.9	-178.7	-157.2	80.1	0	0	0	112.5	E209 K211 E217	E209-L213 PolarHBondContact O-N 3.32Å; K211-L213 VanDerWaalsContact C-N 3.32Å; K211-L213 PolarHBondContact O-N 2.9Å; L213-E217 VanDerWaalsContact O-CB 3.26Å; L213-E217 WeakPolarHBondContact O-CB 3.44Å; L213-E217 PolarHBondContact O-N 2.87Å
214	R	64.8	Low	70.4	Confident	139 Å²	139	138.5 Å²	138.5	53%	0.525	58%	0.581	S	S	.	*	H	α-helix	trans	-79.1	-31.7	179.1	-75.7	178.9	-72.2	-177.5	0.8	113.3	R210 K211 R212 E216 R218	R210-R214 PolarHBondContact O-NE 3.47Å; R210-R214 PolarHBondContact O-NH2 3.44Å; K211-R214 PolarHBondContact O-N 3.41Å; K211-R214 VanDerWaalsContact O-N 3.11Å; R212-R214 VanDerWaalsContact C-N 3.27Å; R212-R214 PolarHBondContact O-N 2.84Å; R214-E216 VanDerWaalsContact C-N 3.33Å; R214-R218 WeakPolarHBondContact O-CB 3.39Å; R214-R218 WeakPolarHBondContact O-CD 3.36Å; R214-R218 WeakPolarHBondContact O-CG 3.35Å; R214-R218 PolarHBondContact O-N 3.41Å
215	D	73.8	Confident	70.7	Confident	79 Å²	79	133.5 Å²	133.5	42%	0.422	57%	0.565	S	S	.	*	H	α-helix	trans	-72.6	-30	173.1	-71.2	-27.9	0	0	0	111.6	K211 R212 R218 R219	K211-D215 WeakPolarHBondContact CG-OD2 3.24Å; K211-D215 PolarHBondContact O-N 2.81Å; R212-D215 PolarHBondContact O-N 3.01Å; R212-D215 VanDerWaalsContact O-N 3.13Å; D215-R218 CarbonylContact O-C 3.54Å; D215-R219 PolarHBondContact O-N 2.92Å
216	E	72.6	Confident	70.8	Confident	111 Å²	111	132.7 Å²	132.7	52%	0.519	56%	0.562	S	S	.	*	H	α-helix	trans	-80	-39	177.6	-166.3	157	-107.9	0	0	112	R212 R214 R218 R219 K220	R212-E216 WeakPolarHBondContact O-CB 3.43Å; R212-E216 PolarHBondContact O-N 3.1Å; R214-E216 VanDerWaalsContact C-N 3.33Å; E216-R218 VanDerWaalsContact C-N 3.35Å; E216-R219 WeakPolarHBondContact O-CA 3.5Å; E216-R219 WeakPolarHBondContact O-CB 3.35Å; E216-R219 PolarHBondContact O-N 3.12Å; E216-K220 WeakPolarHBondContact O-CG 3.25Å; E216-K220 PolarHBondContact O-N 3.3Å
217	E	72	Confident	71.2	Confident	128 Å²	128	133.9 Å²	133.9	60%	0.598	57%	0.567	S	S	*	*	H	α-helix	trans	-56.9	-46.3	164.1	-179.2	177.2	-131.2	0	0	111.3	L213 R219 K220 W221	L213-E217 VanDerWaalsContact O-CB 3.26Å; L213-E217 WeakPolarHBondContact O-CB 3.44Å; L213-E217 PolarHBondContact O-N 2.87Å; E217-R219 PolarHBondContact O-N 3.04Å; E217-K220 PolarHBondContact O-N 3.19Å; E217-W221 PolarHBondContact O-N 3.4Å
218	R	68.5	Low	71.5	Confident	170 Å²	170	133.9 Å²	133.9	64%	0.642	57%	0.565	S	S	*	*	H	α-helix	trans	-66.4	-14.9	171.9	-73.2	170.3	-173.7	-101.1	-0.4	114	R214 D215 E216 R222	R214-R218 WeakPolarHBondContact O-CB 3.39Å; R214-R218 WeakPolarHBondContact O-CD 3.36Å; R214-R218 WeakPolarHBondContact O-CG 3.35Å; R214-R218 PolarHBondContact O-N 3.41Å; D215-R218 CarbonylContact O-C 3.54Å; E216-R218 VanDerWaalsContact C-N 3.35Å; R218-R222 PolarHBondContact O-NE 3.04Å; R218-R222 PolarHBondContact O-NH2 3.46Å; R218-R222 VanDerWaalsContact O-NH2 3.15Å
219	R	70.8	Confident	71.8	Confident	162 Å²	162	136.5 Å²	136.5	61%	0.611	57%	0.567	S	S	*	*	H	α-helix	trans	-84	-49	166.9	-80.6	-172.1	176.7	-158.6	0.3	110.6	D215 E216 E217 W221 R222 E223	D215-R219 PolarHBondContact O-N 2.92Å; E216-R219 WeakPolarHBondContact O-CA 3.5Å; E216-R219 WeakPolarHBondContact O-CB 3.35Å; E216-R219 PolarHBondContact O-N 3.12Å; E217-R219 PolarHBondContact O-N 3.04Å; R219-W221 VanDerWaalsContact C-N 3.3Å; R219-W221 PolarHBondContact O-N 2.69Å; R219-R222 PolarHBondContact O-N 3.01Å; R219-E223 PolarHBondContact O-N 3.5Å
220	K	75.5	Confident	72.2	Confident	137 Å²	137	136.5 Å²	136.5	60%	0.596	57%	0.565	S	S	*	*	H	α-helix	trans	-53.1	-44.9	177.8	-73.8	178.8	179.5	177.9	0	111.9	E216 E217 R222 E223 E224	E216-K220 WeakPolarHBondContact O-CG 3.25Å; E216-K220 PolarHBondContact O-N 3.3Å; E217-K220 PolarHBondContact O-N 3.19Å; K220-R222 PolarHBondContact O-N 3.4Å; K220-E223 PolarHBondContact O-N 3.15Å; K220-E224 VanDerWaalsContact O-CB 3.26Å; K220-E224 WeakPolarHBondContact O-CB 3.19Å; K220-E224 PolarHBondContact O-N 2.64Å
221	W	70.3	Confident	72.4	Confident	172 Å²	172	131.6 Å²	131.6	65%	0.652	55%	0.55	S	S	*	*	H	α-helix	trans	-58.6	-44	175.2	-175.3	-97.9	0	0	0	113.2	E217 R219 E224 E225	E217-W221 PolarHBondContact O-N 3.4Å; R219-W221 VanDerWaalsContact C-N 3.3Å; R219-W221 PolarHBondContact O-N 2.69Å; W221-E224 PolarHBondContact O-N 3.38Å; W221-E225 WeakPolarHBondContact O-CB 3.43Å; W221-E225 PolarHBondContact O-N 3.5Å
222	R	70.9	Confident	72.5	Confident	146 Å²	146	130.4 Å²	130.4	55%	0.551	55%	0.553	S	S	*	*	H	α-helix	trans	-70.4	-31.5	178.4	-76.6	179.6	-73.5	170.3	-4.5	113	R218 R219 K220 R226	R218-R222 PolarHBondContact O-NE 3.04Å; R218-R222 PolarHBondContact O-NH2 3.46Å; R218-R222 VanDerWaalsContact O-NH2 3.15Å; R219-R222 PolarHBondContact O-N 3.01Å; K220-R222 PolarHBondContact O-N 3.4Å; R222-R226 WeakPolarHBondContact O-CG 3.36Å; R222-R226 PolarHBondContact O-N 3.01Å; R222-R226 VanDerWaalsContact O-N 3.1Å
223	E	76.2	Confident	72.7	Confident	120 Å²	120	125.7 Å²	125.7	56%	0.561	54%	0.539	S	S	*	.	H	α-helix	trans	-76.1	-38.5	175.1	-71.9	177.7	175.5	0	0	111.7	R219 K220 R226 R227	R219-E223 PolarHBondContact O-N 3.5Å; K220-E223 PolarHBondContact O-N 3.15Å; E223-R226 PolarHBondContact O-N 3.08Å; E223-R227 VanDerWaalsContact O-CB 3.31Å; E223-R227 WeakPolarHBondContact O-CB 3.43Å; E223-R227 PolarHBondContact O-N 3.39Å
224	E	72.8	Confident	73	Confident	84 Å²	84	126.9 Å²	126.9	39%	0.393	54%	0.539	S	S	.	.	H	α-helix	trans	-67.1	-38.4	173.1	-166.3	-175.8	155.9	0	0	111.5	K220 W221 R227 K228	K220-E224 VanDerWaalsContact O-CB 3.26Å; K220-E224 WeakPolarHBondContact O-CB 3.19Å; K220-E224 PolarHBondContact O-N 2.64Å; W221-E224 PolarHBondContact O-N 3.38Å; E224-R227 CarbonylContact O-C 3.52Å; E224-R227 WeakPolarHBondContact O-CB 3.25Å; E224-R227 PolarHBondContact O-N 2.84Å; E224-K228 HydrophobicContact CG-CD 4.45Å; E224-K228 WeakPolarHBondContact O-CB 3.39Å; E224-K228 WeakPolarHBondContact O-CG 3.37Å; E224-K228 PolarHBondContact O-N 3.38Å; E224-K228 WeakPolarHBondContact OE1-CE 3.22Å; E224-K228 IonicContact OE1-NZ 3.25Å; E224-K228 PolarHBondContact OE1-NZ 3.3Å
225	E	74.3	Confident	73	Confident	76 Å²	76	126.3 Å²	126.3	36%	0.355	54%	0.544	S	S	.	.	H	α-helix	trans	-65	-44.1	172.7	-161.1	-154.6	139.9	0	0	111.4	W221 R227 K228 R229	W221-E225 WeakPolarHBondContact O-CB 3.43Å; W221-E225 PolarHBondContact O-N 3.5Å; E225-R227 VanDerWaalsContact C-N 3.25Å; E225-R227 PolarHBondContact O-N 2.66Å; E225-K228 PolarHBondContact O-N 2.94Å; E225-R229 WeakPolarHBondContact O-CB 3.12Å; E225-R229 VanDerWaalsContact O-CG 3.32Å; E225-R229 WeakPolarHBondContact O-CG 3.23Å; E225-R229 PolarHBondContact O-N 3.5Å; E225-R229 IonicContact OE1-CZ 2.69Å; E225-R229 IonicContact OE1-NE 2.62Å; E225-R229 PolarHBondContact OE1-NE 3.44Å; E225-R229 IonicContact OE1-NH2 2.78Å; E225-R229 PolarHBondContact OE1-NH2 2.92Å
226	R	72.8	Confident	72.7	Confident	166 Å²	166	130 Å²	130	63%	0.626	56%	0.556	S	S	*	*	H	α-helix	trans	-61.9	-33.5	171.6	-76.5	-179.8	77	-157.9	8.6	112.2	R222 E223 K230	R222-R226 WeakPolarHBondContact O-CG 3.36Å; R222-R226 PolarHBondContact O-N 3.01Å; R222-R226 VanDerWaalsContact O-N 3.1Å; E223-R226 PolarHBondContact O-N 3.08Å; R226-K230 WeakPolarHBondContact O-CG 3.49Å; R226-K230 PolarHBondContact O-N 3.01Å; R226-K230 VanDerWaalsContact O-N 3.11Å
227	R	74.6	Confident	72.3	Confident	156 Å²	156	133.1 Å²	133.1	59%	0.589	56%	0.563	S	S	*	*	H	α-helix	trans	-69.7	-49.4	176.1	-177.7	178	169.4	174.2	-3	111.1	E223 E224 E225 R229 K230 E231	E223-R227 VanDerWaalsContact O-CB 3.31Å; E223-R227 WeakPolarHBondContact O-CB 3.43Å; E223-R227 PolarHBondContact O-N 3.39Å; E224-R227 CarbonylContact O-C 3.52Å; E224-R227 WeakPolarHBondContact O-CB 3.25Å; E224-R227 PolarHBondContact O-N 2.84Å; E225-R227 VanDerWaalsContact C-N 3.25Å; E225-R227 PolarHBondContact O-N 2.66Å; R227-R229 VanDerWaalsContact C-N 3.34Å; R227-R229 PolarHBondContact O-N 2.98Å; R227-K230 CarbonylContact O-C 3.55Å; R227-K230 WeakPolarHBondContact O-CA 3.42Å; R227-K230 WeakPolarHBondContact O-CB 3.45Å; R227-K230 PolarHBondContact O-N 3.15Å; R227-E231 HydrophobicContact CG-CG 4.44Å; R227-E231 IonicContact CZ-OE1 3.29Å; R227-E231 VanDerWaalsContact CZ-OE1 3.29Å; R227-E231 IonicContact NE-OE1 2.74Å; R227-E231 PolarHBondContact NE-OE1 3.23Å; R227-E231 IonicContact NE-OE2 3.75Å; R227-E231 IonicContact NH2-OE1 2.92Å; R227-E231 PolarHBondContact NH2-OE1 2.97Å; R227-E231 WeakPolarHBondContact O-CG 3.34Å; R227-E231 PolarHBondContact O-N 2.91Å
228	K	74.8	Confident	71.6	Confident	106 Å²	106	133.5 Å²	133.5	46%	0.461	57%	0.569	S	S	.	*	H	α-helix	trans	-59.7	-41.2	175.3	-74	174.4	-176.4	167.7	0	111.8	E224 E225 K230 E231 V232	E224-K228 HydrophobicContact CG-CD 4.45Å; E224-K228 WeakPolarHBondContact O-CB 3.39Å; E224-K228 WeakPolarHBondContact O-CG 3.37Å; E224-K228 PolarHBondContact O-N 3.38Å; E224-K228 WeakPolarHBondContact OE1-CE 3.22Å; E224-K228 IonicContact OE1-NZ 3.25Å; E224-K228 PolarHBondContact OE1-NZ 3.3Å; E225-K228 PolarHBondContact O-N 2.94Å; K228-K230 PolarHBondContact O-N 3.12Å; K228-E231 PolarHBondContact O-N 2.86Å; K228-V232 WeakPolarHBondContact O-CB 3.31Å; K228-V232 WeakPolarHBondContact O-CG2 3.44Å; K228-V232 PolarHBondContact O-N 3.32Å
229	R	73.4	Confident	70.8	Confident	167 Å²	167	132.9 Å²	132.9	63%	0.63	57%	0.573	S	S	*	*	H	α-helix	trans	-59.6	-43.3	172.1	-72.8	175	-175.9	-105.2	6.5	112.1	E225 R227 E233	E225-R229 WeakPolarHBondContact O-CB 3.12Å; E225-R229 VanDerWaalsContact O-CG 3.32Å; E225-R229 WeakPolarHBondContact O-CG 3.23Å; E225-R229 PolarHBondContact O-N 3.5Å; E225-R229 IonicContact OE1-CZ 2.69Å; E225-R229 IonicContact OE1-NE 2.62Å; E225-R229 PolarHBondContact OE1-NE 3.44Å; E225-R229 IonicContact OE1-NH2 2.78Å; E225-R229 PolarHBondContact OE1-NH2 2.92Å; R227-R229 VanDerWaalsContact C-N 3.34Å; R227-R229 PolarHBondContact O-N 2.98Å; R229-E233 WeakPolarHBondContact O-CB 3.44Å; R229-E233 PolarHBondContact O-N 3.46Å
230	K	78.3	Confident	69.8	Low	126 Å²	126	133.6 Å²	133.6	55%	0.548	58%	0.581	S	S	.	*	H	α-helix	trans	-68.1	-33.8	174.6	-75.5	175.5	174.9	-172.3	0	113.6	R226 R227 K228 K234	R226-K230 WeakPolarHBondContact O-CG 3.49Å; R226-K230 PolarHBondContact O-N 3.01Å; R226-K230 VanDerWaalsContact O-N 3.11Å; R227-K230 CarbonylContact O-C 3.55Å; R227-K230 WeakPolarHBondContact O-CA 3.42Å; R227-K230 WeakPolarHBondContact O-CB 3.45Å; R227-K230 PolarHBondContact O-N 3.15Å; K228-K230 PolarHBondContact O-N 3.12Å; K230-K234 WeakPolarHBondContact O-CB 3.19Å; K230-K234 WeakPolarHBondContact O-CG 3.16Å; K230-K234 PolarHBondContact O-N 3.42Å
231	E	73.4	Confident	68.3	Low	79 Å²	79	132 Å²	132	37%	0.369	59%	0.585	S	S	.	*	H	α-helix	trans	-73.3	-41.7	177.9	-75.2	167.5	166.5	0	0	110.5	R227 K228 E233 K234 M235	R227-E231 HydrophobicContact CG-CG 4.44Å; R227-E231 IonicContact CZ-OE1 3.29Å; R227-E231 VanDerWaalsContact CZ-OE1 3.29Å; R227-E231 IonicContact NE-OE1 2.74Å; R227-E231 PolarHBondContact NE-OE1 3.23Å; R227-E231 IonicContact NE-OE2 3.75Å; R227-E231 IonicContact NH2-OE1 2.92Å; R227-E231 PolarHBondContact NH2-OE1 2.97Å; R227-E231 WeakPolarHBondContact O-CG 3.34Å; R227-E231 PolarHBondContact O-N 2.91Å; K228-E231 PolarHBondContact O-N 2.86Å; E231-E233 PolarHBondContact O-N 2.85Å; E231-K234 WeakPolarHBondContact O-CB 3.17Å; E231-K234 PolarHBondContact O-N 3.3Å; E231-M235 WeakPolarHBondContact O-CG 3.41Å; E231-M235 PolarHBondContact O-N 3.3Å
232	V	75.1	Confident	67.4	Low	99 Å²	99	131.9 Å²	131.9	60%	0.6	60%	0.596	S	S	*	*	H	α-helix	trans	-62.1	-40.2	168.9	171.8	0	0	0	0	111.6	K228 M235 K236	K228-V232 WeakPolarHBondContact O-CB 3.31Å; K228-V232 WeakPolarHBondContact O-CG2 3.44Å; K228-V232 PolarHBondContact O-N 3.32Å; V232-M235 PolarHBondContact O-N 3.09Å; V232-K236 WeakPolarHBondContact O-CB 3.18Å; V232-K236 PolarHBondContact O-N 2.95Å
233	E	73.2	Confident	65.9	Low	95 Å²	95	133.3 Å²	133.3	44%	0.444	61%	0.609	S	S	.	*	H	α-helix	trans	-64	-40	174.4	-162.3	-161.7	150.9	0	0	111.9	R229 E231 K236 R237	R229-E233 WeakPolarHBondContact O-CB 3.44Å; R229-E233 PolarHBondContact O-N 3.46Å; E231-E233 PolarHBondContact O-N 2.85Å; E233-K236 PolarHBondContact O-N 3.17Å; E233-R237 WeakPolarHBondContact O-CB 3.37Å; E233-R237 VanDerWaalsContact O-CG 3.25Å; E233-R237 WeakPolarHBondContact O-CG 3.23Å; E233-R237 PolarHBondContact O-N 2.93Å; E233-R237 IonicContact OE1-CZ 3.22Å; E233-R237 IonicContact OE1-NE 2.93Å; E233-R237 PolarHBondContact OE1-NE 2.97Å; E233-R237 IonicContact OE1-NH2 2.67Å; E233-R237 PolarHBondContact OE1-NH2 3.25Å
234	K	75.3	Confident	64.2	Low	147 Å²	147	134.8 Å²	134.8	64%	0.639	62%	0.62	S	S	*	*	H	α-helix	trans	-63.6	-44.7	172.6	-82.8	-174.1	172.5	-168.2	0	112.1	K230 E231 R237 L238	K230-K234 WeakPolarHBondContact O-CB 3.19Å; K230-K234 WeakPolarHBondContact O-CG 3.16Å; K230-K234 PolarHBondContact O-N 3.42Å; E231-K234 WeakPolarHBondContact O-CB 3.17Å; E231-K234 PolarHBondContact O-N 3.3Å; K234-R237 PolarHBondContact O-N 3.34Å; K234-R237 VanDerWaalsContact O-N 3.17Å; K234-L238 PolarHBondContact O-N 2.89Å
235	M	63.8	Low	62.5	Low	127 Å²	127	139.6 Å²	139.6	63%	0.626	64%	0.64	S	S	*	*	H	α-helix	trans	-60.7	-46.2	176.2	-69	-57.6	-68.8	0	0	110.5	E231 V232 R237 L238 E239	E231-M235 WeakPolarHBondContact O-CG 3.41Å; E231-M235 PolarHBondContact O-N 3.3Å; V232-M235 PolarHBondContact O-N 3.09Å; M235-R237 PolarHBondContact O-N 3.09Å; M235-L238 CarbonylContact O-C 3.53Å; M235-L238 WeakPolarHBondContact O-CA 3.44Å; M235-L238 WeakPolarHBondContact O-CB 3.23Å; M235-L238 PolarHBondContact O-N 3.4Å; M235-E239 WeakPolarHBondContact O-CB 3.38Å; M235-E239 PolarHBondContact O-N 2.92Å
236	K	68.2	Low	60.6	Low	155 Å²	155	143.1 Å²	143.1	67%	0.674	66%	0.661	S	S	*	*	H	α-helix	trans	-67	-20.3	176.5	-169.5	164.7	-174.5	169.9	0	114.2	V232 E233	V232-K236 WeakPolarHBondContact O-CB 3.18Å; V232-K236 PolarHBondContact O-N 2.95Å; E233-K236 PolarHBondContact O-N 3.17Å
237	R	63.5	Low	58.9	Low	177 Å²	177	144.6 Å²	144.6	67%	0.668	67%	0.672	S	S	*	*	H	α-helix	trans	-82.1	-22.5	168.9	-73.8	169.8	-179.3	-117.8	8.9	112.9	E233 K234 M235	E233-R237 WeakPolarHBondContact O-CB 3.37Å; E233-R237 VanDerWaalsContact O-CG 3.25Å; E233-R237 WeakPolarHBondContact O-CG 3.23Å; E233-R237 PolarHBondContact O-N 2.93Å; E233-R237 IonicContact OE1-CZ 3.22Å; E233-R237 IonicContact OE1-NE 2.93Å; E233-R237 PolarHBondContact OE1-NE 2.97Å; E233-R237 IonicContact OE1-NH2 2.67Å; E233-R237 PolarHBondContact OE1-NH2 3.25Å; K234-R237 PolarHBondContact O-N 3.34Å; K234-R237 VanDerWaalsContact O-N 3.17Å; M235-R237 PolarHBondContact O-N 3.09Å
238	L	58	Low	57	Low	137 Å²	137	144.5 Å²	144.5	72%	0.717	68%	0.684	S	S	*	*	H	α-helix	trans	-85.9	-34.7	171.7	-101.8	63.2	0	0	0	112.2	K234 M235 K240	K234-L238 PolarHBondContact O-N 2.89Å; M235-L238 CarbonylContact O-C 3.53Å; M235-L238 WeakPolarHBondContact O-CA 3.44Å; M235-L238 WeakPolarHBondContact O-CB 3.23Å; M235-L238 PolarHBondContact O-N 3.4Å; L238-K240 PolarHBondContact O-N 2.8Å; L238-K240 VanDerWaalsContact O-N 3.13Å
239	E	51.7	Low	55.2	Low	157 Å²	157	147.7 Å²	147.7	73%	0.734	70%	0.7	S	S	*	*	S	Bend	trans	-72.7	6.5	177.6	-158.9	-173.5	-172.5	0	0	113.2	M235 P241	M235-E239 WeakPolarHBondContact O-CB 3.38Å; M235-E239 PolarHBondContact O-N 2.92Å; E239-P241 WeakPolarHBondContact O-CD 3.16Å
240	K	50.3	Low	53.4	Low	176 Å²	176	145.8 Å²	145.8	77%	0.765	71%	0.707	S	S	*	*			trans	-120	81.8	177.7	-159.6	179	-174.1	-170.7	0	111.7	L238	L238-K240 PolarHBondContact O-N 2.8Å; L238-K240 VanDerWaalsContact O-N 3.13Å
241	P	43.8	Very low	51.4	Low	105 Å²	105	149.7 Å²	149.7	68%	0.682	72%	0.724	S	S	*	*			trans	-64.6	140.2	173.4	-17.6	31.4	0	0	0	111.9	E239 E243	E239-P241 WeakPolarHBondContact O-CD 3.16Å; P241-E243 PolarHBondContact O-N 3.46Å
242	L	50.3	Low	49.7	Very low	168 Å²	168	154.7 Å²	154.7	88%	0.88	75%	0.748	S	S	*	*			trans	34.4	85.6	141.7	-63.1	169.5	0	0	0	117.9
243	E	41.2	Very low	48	Very low	176 Å²	176	158.4 Å²	158.4	82%	0.822	76%	0.758	S	S	*	*			trans	-146.6	149.7	140.9	-143.3	169.9	-150.5	0	0	110.2	P241	P241-E243 PolarHBondContact O-N 3.46Å
244	N	39.5	Very low	46.8	Very low	151 Å²	151	158 Å²	158	81%	0.807	76%	0.764	S	S	*	*			trans	58.1	68.5	179.8	-58.6	-21.6	0	0	0	116.2
245	K	37.4	Very low	44.9	Very low	186 Å²	186	160 Å²	160	81%	0.809	77%	0.772	S	S	*	*			trans	-66.8	133.6	130.4	-78.3	-178	174.9	-179.8	0	107.6
246	D	33.6	Very low	44.1	Very low	149 Å²	149	161.5 Å²	161.5	80%	0.797	78%	0.781	S	S	*	*			trans	153.4	94.6	139	-79.7	-4.9	0	0	0	111.8
247	K	37.9	Very low	42.9	Very low	198 Å²	198	162.8 Å²	162.8	86%	0.861	79%	0.787	S	S	*	*				-175.8	139.5	116.2	-99.7	165.8	-176.9	178.3	0	113.7
248	D	35.2	Very low	41.9	Very low	154 Å²	154	162.2 Å²	162.2	82%	0.824	80%	0.797	S	S	*	*			trans	31.5	120.8	166	-68.2	-51.7	0	0	0	121.8
249	Q	35.9	Very low	41	Very low	173 Å²	173	162.8 Å²	162.8	81%	0.808	80%	0.799	S	S	*	*			trans	-97.3	148	149.4	-58.5	173.1	6	0	0	108.7
250	T	34.9	Very low	40.2	Very low	127 Å²	127	164.2 Å²	164.2	78%	0.779	80%	0.803	S	S	*	*				149.5	120	127.4	47.8	0	0	0	0	112.9
251	K	38	Very low	40.2	Very low	207 Å²	207	164.4 Å²	164.4	90%	0.9	80%	0.804	S	S	*	*				179.8	133.4	122.2	-97.2	161.9	-174.9	175.6	0	109.9
252	E	36.2	Very low	40.3	Very low	185 Å²	185	165.2 Å²	165.2	86%	0.864	81%	0.81	S	S	*	*			trans	-101.2	137.3	-176.3	-67	172.4	104	0	0	111.6
253	E	40.3	Very low	39.3	Very low	176 Å²	176	163.8 Å²	163.8	82%	0.822	80%	0.803	S	S	*	*			trans	57.2	173.7	137.3	-70.1	-137.7	162.4	0	0	121.3
254	P	48.1	Very low	39	Very low	87 Å²	87	164.8 Å²	164.8	57%	0.565	80%	0.804	S	S	*	*			cis	-132.4	175.7	-19.8	16.6	7.7	0	0	0	116.2
255	K	34.4	Very low	38.4	Very low	188 Å²	188	161.9 Å²	161.9	82%	0.817	80%	0.796	S	S	*	*			trans	72	122.4	145.4	-78.9	157.8	-175.3	159.3	0	122.2
256	I	48.3	Very low	38.1	Very low	159 Å²	159	160 Å²	160	82%	0.815	80%	0.795	S	S	*	*				-165	108.8	124.7	-93.2	147.7	0	0	0	105.3
257	K	43.7	Very low	37.9	Very low	182 Å²	182	161 Å²	161	79%	0.791	80%	0.8	S	S	*	*				50.9	121.2	94.6	-71.7	-175.2	179.3	-178.4	0	112.6
258	L	41.7	Very low	37.4	Very low	166 Å²	166	154.8 Å²	154.8	87%	0.869	79%	0.792	S	S	*	*			cis	-152.3	173.7	37	-110.3	156.6	0	0	0	115.5
259	L	38.6	Very low	37	Very low	148 Å²	148	155 Å²	155	78%	0.775	79%	0.793	S	S	*	*			trans	-86.6	175.7	177.1	-114.3	66.3	0	0	0	111.5
260	K	34.7	Very low	36.9	Very low	187 Å²	187	150.8 Å²	150.8	81%	0.813	78%	0.783	S	S	*	*			cis	-164.4	166.8	-4.1	-171.8	90.7	173	-170.2	0	108
261	K	51.4	Low	36.6	Very low	180 Å²	180	153.3 Å²	153.3	78%	0.783	79%	0.786	S	S	*	*			trans	-79.4	167.6	162.3	-47.8	-175.1	176.9	-172	0	112.2
262	P	44.4	Very low	36.5	Very low	123 Å²	123	152.7 Å²	152.7	80%	0.799	78%	0.783	S	S	*	*				-121.9	176.8	66	7.6	16.7	0	0	0	113.1
263	D	31.1	Very low	37.2	Very low	138 Å²	138	149 Å²	149	74%	0.738	78%	0.775	S	S	*	*			cis	99.3	126.3	15.5	-147.8	-19.7	0	0	0	115.5
264	K	33.5	Very low	36.8	Very low	196 Å²	196	148.8 Å²	148.8	85%	0.852	77%	0.772	S	S	*	*			trans	60.7	152.5	-166.1	-68.8	171.5	-180	176.9	0	114.9
265	S	26.5	Very low	36	Very low	90 Å²	90	150.2 Å²	150.2	63%	0.629	77%	0.771	S	S	*	*			cis	-158.3	-154.4	-9.6	37.2	0	0	0	0	107.2
266	D	32.4	Very low	36	Very low	147 Å²	147	148.4 Å²	148.4	79%	0.786	76%	0.763	S	S	*	*			cis	-155.6	-166.5	7	-103.3	-45.7	0	0	0	108.9
267	D	28.2	Very low	35.2	Very low	170 Å²	170	149.4 Å²	149.4	91%	0.909	76%	0.762	S	S	*	*			trans	-75.4	165.1	178.4	-85	-89.5	0	0	0	116.6
268	G	28.2	Very low	34.6	Very low	67 Å²	67	149.6 Å²	149.6	69%	0.691	76%	0.763	S	S	*	*			trans	138	122.7	173.4	0	0	0	0	0	112.4
269	D	27.5	Very low	34.2	Very low	159 Å²	159	149.9 Å²	149.9	85%	0.85	76%	0.757	S	S	*	*			cis	73.1	124.3	49.3	-155	81.9	0	0	0	112.4
270	S	31.9	Very low	34.4	Very low	85 Å²	85	148.1 Å²	148.1	59%	0.594	75%	0.754	S	S	*	*			cis	-161	-160.7	-4.7	43.4	0	0	0	0	111.8
271	E	30.3	Very low	34	Very low	179 Å²	179	146 Å²	146	84%	0.836	75%	0.747	S	S	*	*			trans	83.9	145.5	156.2	-63.8	-106.5	83.7	0	0	121.5
272	K	35.8	Very low	33.2	Very low	194 Å²	194	146 Å²	146	84%	0.843	75%	0.747	S	S	*	*			trans	-103.2	-154.4	165.3	-72.8	-177.6	176.2	173.4	0	106.3
273	P	49.5	Very low	33.1	Very low	108 Å²	108	145.8 Å²	145.8	70%	0.701	75%	0.746	S	S	*	*			cis	-143	-147.5	-0.2	40.7	-16.2	0	0	0	114.4
274	K	32.3	Very low	32.8	Very low	172 Å²	172	146 Å²	146	75%	0.748	74%	0.742	S	S	*	*			trans	93.3	143.4	168.7	-57.7	179.3	164.2	-167.5	0	116.3
275	E	31.7	Very low	32.6	Very low	117 Å²	117	145 Å²	145	55%	0.547	73%	0.733	S	S	.	*			cis	-155.7	151.9	-12.3	-119	173	114.7	0	0	112
276	K	35.2	Very low	32.9	Very low	150 Å²	150	146.9 Å²	146.9	65%	0.652	73%	0.732	S	S	*	*			trans	34.8	147	143.6	-65.3	165.8	-171.3	162.9	0	120.3
277	F	31	Very low	32.7	Very low	179 Å²	179	146 Å²	146	79%	0.785	73%	0.727	S	S	*	*			cis	-140.8	-172	25.1	-87	-73.8	0	0	0	109.8
278	K	31.7	Very low	32.8	Very low	187 Å²	187	148.4 Å²	148.4	81%	0.813	72%	0.723	S	S	*	*			cis	-149.1	-158.1	6.3	-144.2	166	-177	176.5	0	111.1
279	K	31.9	Very low	32.7	Very low	171 Å²	171	149.7 Å²	149.7	74%	0.743	73%	0.727	S	S	*	*			trans	-146.2	173.3	169.4	-93.9	-169.4	177.1	-172.2	0	106.8
280	P	43.1	Very low	32.8	Very low	111 Å²	111	147.9 Å²	147.9	72%	0.721	73%	0.727	S	S	*	*			cis	-131.7	-158.7	13.4	49	-31.7	0	0	0	111.2
281	E	26.2	Very low	32.5	Very low	144 Å²	144	147.9 Å²	147.9	67%	0.673	74%	0.74	S	S	*	*			cis	-150.4	-132.9	-8.2	-151.7	22.3	-93	0	0	113.2
282	K	35.2	Very low	32.4	Very low	180 Å²	180	143.5 Å²	143.5	78%	0.783	74%	0.743	S	S	*	*			trans	-152.7	168.6	-174.4	-116.7	177.9	-176.9	-178.1	0	108.7
283	P	40.9	Very low	32.3	Very low	118 Å²	118	139 Å²	139	77%	0.766	74%	0.743	S	S	*	*				-157.9	-171.9	58.1	41.5	-17.8	0	0	0	118.8
284	H	26.2	Very low	31.5	Very low	141 Å²	141	141 Å²	141	65%	0.653	75%	0.747	S	S	*	*			trans	89	114.6	136.2	-158.5	-115.2	0	0	0	122.2
285	R	29.8	Very low	31.8	Very low	177 Å²	177	140.7 Å²	140.7	67%	0.668	75%	0.748	S	S	*	*			trans	65.6	161.3	142.5	-80.5	-157.3	165.4	140.3	-16.2	121.4
286	E	31.1	Very low	32	Very low	128 Å²	128	146.2 Å²	146.2	60%	0.598	76%	0.764	S	S	*	*			cis	-166.3	153.3	-33.7	-126.9	164.7	-136.5	0	0	108.3
287	D	29.2	Very low	31.8	Very low	128 Å²	128	151.1 Å²	151.1	68%	0.684	78%	0.778	S	S	*	*			trans	58.3	158.1	152.5	-79.5	3.9	0	0	0	124.4
288	R	30.4	Very low	32.1	Very low	222 Å²	222	154 Å²	154	84%	0.838	78%	0.784	S	S	*	*			trans	68.2	116	173.2	-61.1	177.9	178.6	78.8	2.1	115.4
289	A	26.8	Very low	32.6	Very low	93 Å²	93	150.7 Å²	150.7	77%	0.769	78%	0.781	S	S	*	*			cis	94.2	147.5	31.3	0	0	0	0	0	115.5
290	S	28.4	Very low	32.4	Very low	122 Å²	122	148.7 Å²	148.7	85%	0.853	78%	0.779	S	S	*	*			trans	74.7	82	161	-58.1	0	0	0	0	120.4
291	G	25.9	Very low	31.7	Very low	84 Å²	84	152.9 Å²	152.9	87%	0.866	79%	0.786	S	S	*	*				79.4	-163.1	127.4	0	0	0	0	0	118.7
292	G	27.9	Very low	32.2	Very low	87 Å²	87	153.2 Å²	153.2	90%	0.897	79%	0.788	S	S	*	*			trans	98.1	122.2	-172.8	0	0	0	0	0	112.6
293	A	33	Very low	32.2	Very low	101 Å²	101	150 Å²	150	84%	0.835	79%	0.787	S	S	*	*			trans	-114.5	179.1	177.8	0	0	0	0	0	111.5
294	D	33.2	Very low	32	Very low	150 Å²	150	153.7 Å²	153.7	80%	0.802	79%	0.792	S	S	*	*			trans	89.8	162.3	158.2	-126.6	-47.8	0	0	0	119.4
295	H	39.2	Very low	32.4	Very low	164 Å²	164	155.7 Å²	155.7	76%	0.759	80%	0.801	S	S	*	*			trans	-95.1	148.9	-156.9	-62.7	-65.6	0	0	0	114.2
296	R	35.7	Very low	32.9	Very low	233 Å²	233	155.7 Å²	155.7	88%	0.879	81%	0.809	S	S	*	*				154.4	125.1	110.3	-81.9	172.4	-165.9	-134.8	4.3	112.1
297	R	31.6	Very low	33.3	Very low	254 Å²	254	161.1 Å²	161.1	96%	0.958	82%	0.824	S	S	*	*				179.4	157.2	117.2	-93.9	161.7	-165	-124.2	3.3	112.3
298	R	37.6	Very low	33.9	Very low	240 Å²	240	163.1 Å²	163.1	91%	0.906	83%	0.829	S	S	*	*			trans	-76	172.6	174.4	-90.2	176.2	173.2	-179.2	-4.5	110.7
299	P	41.4	Very low	34.7	Very low	116 Å²	116	162 Å²	162	75%	0.753	83%	0.825	S	S	*	*			cis	-136.8	151.1	27.6	43.5	-24.9	0	0	0	116.6
300	N	27.7	Very low	35.5	Very low	129 Å²	129	167.2 Å²	167.2	69%	0.69	83%	0.83	S	S	*	*				69.3	112.5	97.4	-159.4	37.9	0	0	0	117.3
301	F	29.2	Very low	36.3	Very low	199 Å²	199	164.4 Å²	164.4	87%	0.873	82%	0.82	S	S	*	*			trans	-148.4	111.1	149.6	-163.2	-83.6	0	0	0	107.9
302	E	35.9	Very low	37.4	Very low	152 Å²	152	166.3 Å²	166.3	71%	0.71	81%	0.811	S	S	*	*			trans	-98.7	160.2	179.6	-82.4	-170.9	137.1	0	0	112.3
303	S	36.2	Very low	38.2	Very low	111 Å²	111	169.4 Å²	169.4	78%	0.776	80%	0.802	S	S	*	*			trans	57.2	113.9	166.8	-63.4	0	0	0	0	116.2
304	K	35.2	Very low	39	Very low	197 Å²	197	169.6 Å²	169.6	86%	0.857	79%	0.789	S	S	*	*				179.9	103.9	70.2	172.2	-173.4	178.9	-178.5	0	110.9
305	E	34.6	Very low	40	Very low	183 Å²	183	164.7 Å²	164.7	86%	0.855	77%	0.773	S	S	*	*			trans	-171.1	81.3	146.6	-113.3	168.3	-164.3	0	0	111.8	R307	E305-R307 PolarHBondContact O-N 3.44Å
306	E	40.6	Very low	40.8	Very low	177 Å²	177	166.8 Å²	166.8	83%	0.827	78%	0.775	S	S	*	*			trans	-97.3	66.3	-177.4	-164.5	-178.6	177.5	0	0	111.6
307	R	40.3	Very low	41.7	Very low	242 Å²	242	162.3 Å²	162.3	91%	0.913	76%	0.761	S	S	*	*	S	Bend	trans	-145	-13.5	173.6	-126.6	172.4	-174.6	170.5	2.6	118.7	E305	E305-R307 PolarHBondContact O-N 3.44Å
308	E	42.1	Very low	42.8	Very low	169 Å²	169	155.4 Å²	155.4	79%	0.79	74%	0.74	S	S	*	*	S	Bend	trans	-95.7	-8.5	-178.2	-60.3	-155.7	135	0	0	115.3	K310 G311	E308-K310 PolarHBondContact O-N 3.5Å; E308-G311 PolarHBondContact O-N 3.22Å
309	R	45.7	Very low	43.7	Very low	198 Å²	198	150 Å²	150	75%	0.747	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-64.3	-17	-165.7	-70	-174.5	176.8	174.1	-0	115.8	G311	R309-G311 VanDerWaalsContact C-N 3.33Å; R309-G311 PolarHBondContact O-N 3.15Å
310	K	43.3	Very low	44.6	Very low	204 Å²	204	153.6 Å²	153.6	89%	0.887	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-78.5	-6	-177.5	-111.9	-175.6	179.9	-177.6	0	115.9	E308	E308-K310 PolarHBondContact O-N 3.5Å
311	G	45.9	Very low	46.2	Very low	63 Å²	63	153.1 Å²	153.1	65%	0.649	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-99.9	-9.8	177.3	0	0	0	0	0	115.7	E308 R309	E308-G311 PolarHBondContact O-N 3.22Å; R309-G311 VanDerWaalsContact C-N 3.33Å; R309-G311 PolarHBondContact O-N 3.15Å
312	N	48.9	Very low	47.8	Very low	124 Å²	124	150.1 Å²	150.1	66%	0.663	70%	0.699	S	S	*	*	S	Bend	trans	-110.3	-8.7	-164.9	-110.6	-48.5	0	0	0	115.2
313	E	44.1	Very low	49.3	Very low	151 Å²	151	145.6 Å²	145.6	71%	0.706	68%	0.679	S	S	*	*	H	α-helix	trans	-72.9	-43.6	176.6	-73.1	-164.1	86.3	0	0	112.4	G315 R316 K317	E313-G315 PolarHBondContact O-N 2.96Å; E313-R316 PolarHBondContact O-N 3.37Å; E313-R316 VanDerWaalsContact O-N 3.12Å; E313-K317 PolarHBondContact O-N 2.63Å
314	D	51	Low	50.9	Low	106 Å²	106	144.2 Å²	144.2	57%	0.567	66%	0.663	S	S	*	*	H	α-helix	trans	-63	-43.6	-176.7	-68.6	-43.5	0	0	0	112.3	R316 K317 E318	D314-R316 VanDerWaalsContact C-N 3.26Å; D314-R316 PolarHBondContact O-N 2.7Å; D314-K317 CarbonylContact O-C 3.58Å; D314-K317 WeakPolarHBondContact O-CA 3.4Å; D314-K317 VanDerWaalsContact O-CB 3.25Å; D314-K317 WeakPolarHBondContact O-CB 3.29Å; D314-K317 PolarHBondContact O-N 3.29Å; D314-E318 PolarHBondContact O-N 3.29Å
315	G	54.8	Low	52.7	Low	46 Å²	46	139.2 Å²	139.2	47%	0.474	65%	0.645	S	S	.	*	H	α-helix	trans	-61.7	-32.8	174.9	0	0	0	0	0	113.4	E313 F319	E313-G315 PolarHBondContact O-N 2.96Å; G315-F319 PolarHBondContact O-N 2.79Å; G315-F319 VanDerWaalsContact O-N 3.15Å
316	R	56.1	Low	54.5	Low	208 Å²	208	136.2 Å²	136.2	79%	0.785	63%	0.626	S	S	*	*	H	α-helix	trans	-76.3	-26.5	174.9	-159.7	174.1	-169.5	-124.7	2.2	112.3	E313 D314 R320	E313-R316 PolarHBondContact O-N 3.37Å; E313-R316 VanDerWaalsContact O-N 3.12Å; D314-R316 VanDerWaalsContact C-N 3.26Å; D314-R316 PolarHBondContact O-N 2.7Å; R316-R320 PolarHBondContact O-N 2.93Å
317	K	54.6	Low	56.2	Low	139 Å²	139	133.7 Å²	133.7	60%	0.604	61%	0.614	S	S	*	*	H	α-helix	trans	-71.3	-51.6	170.9	-131.5	174.5	-176.4	176.6	0	110.9	E313 D314 F319 R320 E321	E313-K317 PolarHBondContact O-N 2.63Å; D314-K317 CarbonylContact O-C 3.58Å; D314-K317 WeakPolarHBondContact O-CA 3.4Å; D314-K317 VanDerWaalsContact O-CB 3.25Å; D314-K317 WeakPolarHBondContact O-CB 3.29Å; D314-K317 PolarHBondContact O-N 3.29Å; K317-F319 VanDerWaalsContact C-N 3.31Å; K317-F319 PolarHBondContact O-N 2.9Å; K317-R320 WeakPolarHBondContact O-CA 3.26Å; K317-R320 WeakPolarHBondContact O-CB 3.45Å; K317-R320 PolarHBondContact O-N 3.31Å; K317-E321 PolarHBondContact O-N 3.5Å
318	E	54.5	Low	58.1	Low	110 Å²	110	127.7 Å²	127.7	51%	0.514	60%	0.595	S	S	.	*	H	α-helix	trans	-55.7	-42.4	177	-81.1	-162.4	-168.2	0	0	112.4	D314 R320 E321 R322	D314-E318 PolarHBondContact O-N 3.29Å; E318-R320 VanDerWaalsContact C-N 3.29Å; E318-R320 PolarHBondContact O-N 3.3Å; E318-E321 PolarHBondContact O-N 3.37Å; E318-R322 WeakPolarHBondContact O-CB 3.44Å; E318-R322 PolarHBondContact O-N 3.44Å; E318-R322 IonicContact OE2-NH2 3.73Å; E318-R322 PolarHBondContact OE2-NH2 3.02Å
319	F	56	Low	59.8	Low	127 Å²	127	124.1 Å²	124.1	56%	0.557	58%	0.578	S	S	*	*	H	α-helix	trans	-62	-40.7	177.6	-166	-81.3	0	0	0	111.2	G315 K317 R322 D323	G315-F319 PolarHBondContact O-N 2.79Å; G315-F319 VanDerWaalsContact O-N 3.15Å; K317-F319 VanDerWaalsContact C-N 3.31Å; K317-F319 PolarHBondContact O-N 2.9Å; F319-R322 PolarHBondContact O-N 2.96Å; F319-D323 VanDerWaalsContact CE1-OD2 3.23Å; F319-D323 WeakPolarHBondContact CE1-OD2 3.31Å; F319-D323 PolarHBondContact O-N 3.24Å; F319-D323 VanDerWaalsContact O-N 3.1Å
320	R	59.6	Low	61.2	Low	190 Å²	190	122 Å²	122	72%	0.717	57%	0.57	S	S	*	*	H	α-helix	trans	-71	-39.6	-179.7	-150.4	174	-167.4	178.9	2.1	112.1	R316 K317 E318 L324	R316-R320 PolarHBondContact O-N 2.93Å; K317-R320 WeakPolarHBondContact O-CA 3.26Å; K317-R320 WeakPolarHBondContact O-CB 3.45Å; K317-R320 PolarHBondContact O-N 3.31Å; E318-R320 VanDerWaalsContact C-N 3.29Å; E318-R320 PolarHBondContact O-N 3.3Å; R320-L324 WeakPolarHBondContact O-CG 3.25Å; R320-L324 PolarHBondContact O-N 2.72Å; R320-L324 VanDerWaalsContact O-N 3.09Å
321	E	62.1	Low	63.2	Low	120 Å²	120	116.5 Å²	116.5	56%	0.561	55%	0.548	S	S	*	.	H	α-helix	trans	-66	-40	172	-70.6	-171.8	147.9	0	0	112	K317 E318 D323 L324 D325	K317-E321 PolarHBondContact O-N 3.5Å; E318-E321 PolarHBondContact O-N 3.37Å; E321-D323 VanDerWaalsContact C-N 3.33Å; E321-D323 PolarHBondContact O-N 2.98Å; E321-L324 PolarHBondContact O-N 3Å; E321-D325 PolarHBondContact O-N 2.88Å
322	R	63.2	Low	64.8	Low	135 Å²	135	122.5 Å²	122.5	51%	0.509	55%	0.551	S	S	.	*	H	α-helix	trans	-62.7	-37.3	177.7	-171.5	174.9	-58.1	177.9	8.4	112.7	E318 F319 R326	E318-R322 WeakPolarHBondContact O-CB 3.44Å; E318-R322 PolarHBondContact O-N 3.44Å; E318-R322 IonicContact OE2-NH2 3.73Å; E318-R322 PolarHBondContact OE2-NH2 3.02Å; F319-R322 PolarHBondContact O-N 2.96Å; R322-R326 WeakPolarHBondContact O-CD 3.47Å; R322-R326 VanDerWaalsContact O-CG 3.25Å; R322-R326 WeakPolarHBondContact O-CG 3.35Å; R322-R326 PolarHBondContact O-N 2.97Å
323	D	67.3	Low	66.4	Low	58 Å²	58	123.1 Å²	123.1	31%	0.31	54%	0.544	S	S	.	.	H	α-helix	trans	-75.2	-35.7	174.1	-82.4	-21.5	0	0	0	112.9	F319 E321 D325 R326 E327	F319-D323 VanDerWaalsContact CE1-OD2 3.23Å; F319-D323 WeakPolarHBondContact CE1-OD2 3.31Å; F319-D323 PolarHBondContact O-N 3.24Å; F319-D323 VanDerWaalsContact O-N 3.1Å; E321-D323 VanDerWaalsContact C-N 3.33Å; E321-D323 PolarHBondContact O-N 2.98Å; D323-D325 VanDerWaalsContact C-N 3.31Å; D323-D325 PolarHBondContact O-N 2.78Å; D323-R326 WeakPolarHBondContact O-CB 3.35Å; D323-R326 PolarHBondContact O-N 3.04Å; D323-R326 WeakPolarHBondContact OD1-CD 3.44Å; D323-R326 IonicContact OD1-CZ 3.65Å; D323-R326 IonicContact OD1-NE 2.98Å; D323-R326 IonicContact OD1-NH1 3.97Å; D323-R326 PolarHBondContact OD1-NH1 2.97Å; D323-E327 WeakPolarHBondContact O-CB 3.34Å; D323-E327 PolarHBondContact O-N 3.28Å
324	L	68.8	Low	68.3	Low	81 Å²	81	121.5 Å²	121.5	42%	0.424	54%	0.539	S	S	.	.	H	α-helix	trans	-62.2	-36.6	169.5	-72.9	168.5	0	0	0	112.2	R320 E321 E327 K328	R320-L324 WeakPolarHBondContact O-CG 3.25Å; R320-L324 PolarHBondContact O-N 2.72Å; R320-L324 VanDerWaalsContact O-N 3.09Å; E321-L324 PolarHBondContact O-N 3Å; L324-E327 WeakPolarHBondContact O-CB 3.45Å; L324-E327 PolarHBondContact O-N 3.06Å; L324-K328 VanDerWaalsContact O-CG 3.26Å; L324-K328 WeakPolarHBondContact O-CG 3.47Å; L324-K328 PolarHBondContact O-N 2.84Å
325	D	73.4	Confident	69.8	Low	92 Å²	92	123.9 Å²	123.9	49%	0.492	54%	0.54	S	S	.	.	H	α-helix	trans	-74.1	-35	175.5	-81.3	-2.3	0	0	0	112.4	E321 D323 E327 K328 E329	E321-D325 PolarHBondContact O-N 2.88Å; D323-D325 VanDerWaalsContact C-N 3.31Å; D323-D325 PolarHBondContact O-N 2.78Å; D325-E327 PolarHBondContact O-N 3.42Å; D325-K328 PolarHBondContact O-N 2.95Å; D325-K328 WeakPolarHBondContact OD1-CD 3.36Å; D325-K328 WeakPolarHBondContact OD1-CE 3.36Å; D325-K328 IonicContact OD1-NZ 3.82Å; D325-K328 PolarHBondContact OD1-NZ 2.97Å; D325-E329 WeakPolarHBondContact O-CB 3.42Å; D325-E329 PolarHBondContact O-N 3.1Å
326	R	72.8	Confident	71	Confident	121 Å²	121	127.3 Å²	127.3	46%	0.457	54%	0.544	S	S	.	.	H	α-helix	trans	-63.9	-27.9	167.6	-73.9	160.3	161.9	178.1	-4.2	112.7	R322 D323 R330	R322-R326 WeakPolarHBondContact O-CD 3.47Å; R322-R326 VanDerWaalsContact O-CG 3.25Å; R322-R326 WeakPolarHBondContact O-CG 3.35Å; R322-R326 PolarHBondContact O-N 2.97Å; D323-R326 WeakPolarHBondContact O-CB 3.35Å; D323-R326 PolarHBondContact O-N 3.04Å; D323-R326 WeakPolarHBondContact OD1-CD 3.44Å; D323-R326 IonicContact OD1-CZ 3.65Å; D323-R326 IonicContact OD1-NE 2.98Å; D323-R326 IonicContact OD1-NH1 3.97Å; D323-R326 PolarHBondContact OD1-NH1 2.97Å; R326-R330 WeakPolarHBondContact O-CB 3.32Å; R326-R330 WeakPolarHBondContact O-CG 3.25Å; R326-R330 PolarHBondContact O-N 2.91Å; R326-R330 PolarHBondContact O-NE 3.19Å
327	E	76.6	Confident	72.4	Confident	123 Å²	123	124.5 Å²	124.5	58%	0.575	54%	0.538	S	S	*	.	H	α-helix	trans	-76.3	-50.5	174.5	-174.4	164.5	-130.2	0	0	110.9	D323 L324 D325 E329 R330 E331	D323-E327 WeakPolarHBondContact O-CB 3.34Å; D323-E327 PolarHBondContact O-N 3.28Å; L324-E327 WeakPolarHBondContact O-CB 3.45Å; L324-E327 PolarHBondContact O-N 3.06Å; D325-E327 PolarHBondContact O-N 3.42Å; E327-E329 PolarHBondContact O-N 3.11Å; E327-R330 CarbonylContact O-C 3.57Å; E327-R330 WeakPolarHBondContact O-CA 3.02Å; E327-R330 WeakPolarHBondContact O-CB 3.29Å; E327-R330 PolarHBondContact O-N 3.22Å; E327-E331 PolarHBondContact O-N 3.49Å
328	K	78.8	Confident	73.8	Confident	117 Å²	117	121.4 Å²	121.4	51%	0.509	53%	0.525	S	S	.	.	H	α-helix	trans	-56.1	-36.8	171.5	-66.7	166.1	-150.3	161	0	112.5	L324 D325 E331 R332	L324-K328 VanDerWaalsContact O-CG 3.26Å; L324-K328 WeakPolarHBondContact O-CG 3.47Å; L324-K328 PolarHBondContact O-N 2.84Å; D325-K328 PolarHBondContact O-N 2.95Å; D325-K328 WeakPolarHBondContact OD1-CD 3.36Å; D325-K328 WeakPolarHBondContact OD1-CE 3.36Å; D325-K328 IonicContact OD1-NZ 3.82Å; D325-K328 PolarHBondContact OD1-NZ 2.97Å; K328-E331 PolarHBondContact O-N 3.32Å; K328-R332 WeakPolarHBondContact O-CB 3.45Å; K328-R332 PolarHBondContact O-N 3.35Å
329	E	77.8	Confident	75.2	Confident	94 Å²	94	125.3 Å²	125.3	44%	0.439	54%	0.535	S	S	.	.	H	α-helix	trans	-68.7	-42.6	175.6	-157.7	-157.2	168.7	0	0	111.5	D325 E327 E331 R332 R333	D325-E329 WeakPolarHBondContact O-CB 3.42Å; D325-E329 PolarHBondContact O-N 3.1Å; E327-E329 PolarHBondContact O-N 3.11Å; E329-E331 VanDerWaalsContact C-N 3.34Å; E329-R332 PolarHBondContact O-N 2.97Å; E329-R333 WeakPolarHBondContact O-CB 3.45Å; E329-R333 VanDerWaalsContact O-CG 3.24Å; E329-R333 WeakPolarHBondContact O-CG 3.46Å; E329-R333 PolarHBondContact O-N 2.87Å; E329-R333 IonicContact OE1-CZ 3.99Å; E329-R333 IonicContact OE1-NE 2.72Å; E329-R333 PolarHBondContact OE1-NE 3.34Å; E329-R333 IonicContact OE1-NH2 3.18Å; E329-R333 PolarHBondContact OE1-NH2 2.85Å; E329-R333 IonicContact OE2-NH2 3.6Å; E329-R333 PolarHBondContact OE2-NH2 3.15Å
330	R	76.3	Confident	76.5	Confident	153 Å²	153	123.2 Å²	123.2	58%	0.577	53%	0.529	S	S	*	.	H	α-helix	trans	-61.8	-42.3	173	-82	179.7	-88.1	-159.9	1.8	111.4	R326 E327 R333 L334	R326-R330 WeakPolarHBondContact O-CB 3.32Å; R326-R330 WeakPolarHBondContact O-CG 3.25Å; R326-R330 PolarHBondContact O-N 2.91Å; R326-R330 PolarHBondContact O-NE 3.19Å; E327-R330 CarbonylContact O-C 3.57Å; E327-R330 WeakPolarHBondContact O-CA 3.02Å; E327-R330 WeakPolarHBondContact O-CB 3.29Å; E327-R330 PolarHBondContact O-N 3.22Å; R330-R333 PolarHBondContact O-N 3.27Å; R330-L334 WeakPolarHBondContact O-CB 3.46Å; R330-L334 VanDerWaalsContact O-CG 3.3Å; R330-L334 WeakPolarHBondContact O-CG 3.2Å; R330-L334 PolarHBondContact O-N 3.37Å
331	E	84	Confident	77.7	Confident	89 Å²	89	121.9 Å²	121.9	42%	0.416	52%	0.524	S	S	.	.	H	α-helix	trans	-62.6	-45	175.2	-158.8	-151.5	159.6	0	0	111.8	E327 K328 E329 R333 L334 R335	E327-E331 PolarHBondContact O-N 3.49Å; K328-E331 PolarHBondContact O-N 3.32Å; E329-E331 VanDerWaalsContact C-N 3.34Å; E331-R333 PolarHBondContact O-N 2.77Å; E331-L334 PolarHBondContact O-N 2.82Å; E331-R335 WeakPolarHBondContact O-CG 3.29Å; E331-R335 PolarHBondContact O-N 2.99Å; E331-R335 IonicContact OE1-CZ 2.65Å; E331-R335 IonicContact OE1-NE 3.17Å; E331-R335 PolarHBondContact OE1-NE 2.97Å; E331-R335 IonicContact OE1-NH2 2.66Å; E331-R335 PolarHBondContact OE1-NH2 3.44Å
332	R	80.7	Confident	78.8	Confident	188 Å²	188	123.5 Å²	123.5	71%	0.709	53%	0.525	S	S	*	.	H	α-helix	trans	-59.2	-46	173.9	177.8	-178.9	-86.1	-144.8	-0.9	111.3	K328 E329 L334 R335 E336	K328-R332 WeakPolarHBondContact O-CB 3.45Å; K328-R332 PolarHBondContact O-N 3.35Å; E329-R332 PolarHBondContact O-N 2.97Å; R332-L334 VanDerWaalsContact C-N 3.3Å; R332-L334 PolarHBondContact O-N 3.24Å; R332-R335 PolarHBondContact O-N 3.39Å; R332-E336 VanDerWaalsContact O-CB 3.32Å; R332-E336 WeakPolarHBondContact O-CB 3.28Å; R332-E336 PolarHBondContact O-N 3.36Å
333	R	81.8	Confident	79.8	Confident	138 Å²	138	121.9 Å²	121.9	52%	0.521	52%	0.523	S	S	.	.	H	α-helix	trans	-63.5	-33.8	176.7	-70.6	170	-179.4	-151.7	8.1	112	E329 R330 E331 K337	E329-R333 WeakPolarHBondContact O-CB 3.45Å; E329-R333 VanDerWaalsContact O-CG 3.24Å; E329-R333 WeakPolarHBondContact O-CG 3.46Å; E329-R333 PolarHBondContact O-N 2.87Å; E329-R333 IonicContact OE1-CZ 3.99Å; E329-R333 IonicContact OE1-NE 2.72Å; E329-R333 PolarHBondContact OE1-NE 3.34Å; E329-R333 IonicContact OE1-NH2 3.18Å; E329-R333 PolarHBondContact OE1-NH2 2.85Å; E329-R333 IonicContact OE2-NH2 3.6Å; E329-R333 PolarHBondContact OE2-NH2 3.15Å; R330-R333 PolarHBondContact O-N 3.27Å; E331-R333 PolarHBondContact O-N 2.77Å; R333-K337 WeakPolarHBondContact O-CB 3.34Å; R333-K337 WeakPolarHBondContact O-CG 3.38Å; R333-K337 PolarHBondContact O-N 3.47Å
334	L	84.8	Confident	80.7	Confident	116 Å²	116	122.8 Å²	122.8	61%	0.607	53%	0.528	S	S	*	.	H	α-helix	trans	-70.4	-48.5	174	-74.2	168.5	0	0	0	111.7	R330 E331 R332 E336 K337 E338	R330-L334 WeakPolarHBondContact O-CB 3.46Å; R330-L334 VanDerWaalsContact O-CG 3.3Å; R330-L334 WeakPolarHBondContact O-CG 3.2Å; R330-L334 PolarHBondContact O-N 3.37Å; E331-L334 PolarHBondContact O-N 2.82Å; R332-L334 VanDerWaalsContact C-N 3.3Å; R332-L334 PolarHBondContact O-N 3.24Å; L334-E336 VanDerWaalsContact C-N 3.25Å; L334-E336 PolarHBondContact O-N 3.24Å; L334-K337 PolarHBondContact O-N 3.36Å; L334-E338 WeakPolarHBondContact O-CB 3.16Å; L334-E338 PolarHBondContact O-N 3.08Å
335	R	81.1	Confident	81.5	Confident	157 Å²	157	122.4 Å²	122.4	59%	0.592	52%	0.524	S	S	*	.	H	α-helix	trans	-58.7	-36.1	173.8	-70.4	175.8	179.9	-118	10	112	E331 R332 R339	E331-R335 WeakPolarHBondContact O-CG 3.29Å; E331-R335 PolarHBondContact O-N 2.99Å; E331-R335 IonicContact OE1-CZ 2.65Å; E331-R335 IonicContact OE1-NE 3.17Å; E331-R335 PolarHBondContact OE1-NE 2.97Å; E331-R335 IonicContact OE1-NH2 2.66Å; E331-R335 PolarHBondContact OE1-NH2 3.44Å; R332-R335 PolarHBondContact O-N 3.39Å; R335-R339 WeakPolarHBondContact O-CG 3.37Å; R335-R339 PolarHBondContact O-N 2.84Å
336	E	80.8	Confident	82.2	Confident	117 Å²	117	122.5 Å²	122.5	55%	0.547	52%	0.522	S	S	.	.	H	α-helix	trans	-69.4	-48	175.1	-175.8	164	-136.5	0	0	112.2	R332 L334 E338 R339 I340	R332-E336 VanDerWaalsContact O-CB 3.32Å; R332-E336 WeakPolarHBondContact O-CB 3.28Å; R332-E336 PolarHBondContact O-N 3.36Å; L334-E336 VanDerWaalsContact C-N 3.25Å; L334-E336 PolarHBondContact O-N 3.24Å; E336-E338 VanDerWaalsContact C-N 3.25Å; E336-E338 PolarHBondContact O-N 2.82Å; E336-R339 PolarHBondContact O-N 2.95Å; E336-I340 HydrophobicContact CG-CD1 4.29Å; E336-I340 WeakPolarHBondContact O-CG1 3.21Å; E336-I340 PolarHBondContact O-N 2.92Å
337	K	84.7	Confident	82.8	Confident	150 Å²	150	122.6 Å²	122.6	65%	0.652	52%	0.522	S	S	*	.	H	α-helix	trans	-56.7	-38.9	171.5	-79.4	-178.5	174.9	-171.4	0	112.4	R333 L334 I340 R341	R333-K337 WeakPolarHBondContact O-CB 3.34Å; R333-K337 WeakPolarHBondContact O-CG 3.38Å; R333-K337 PolarHBondContact O-N 3.47Å; L334-K337 PolarHBondContact O-N 3.36Å; K337-I340 PolarHBondContact O-N 3.09Å; K337-R341 WeakPolarHBondContact O-CB 3.14Å; K337-R341 PolarHBondContact O-N 3.36Å
338	E	84.2	Confident	83.3	Confident	74 Å²	74	124.4 Å²	124.4	35%	0.346	52%	0.523	S	S	.	.	H	α-helix	trans	-67.4	-41.7	177.6	-155.8	-151.6	152.8	0	0	111.9	L334 E336 I340 R341 R342	L334-E338 WeakPolarHBondContact O-CB 3.16Å; L334-E338 PolarHBondContact O-N 3.08Å; E336-E338 VanDerWaalsContact C-N 3.25Å; E336-E338 PolarHBondContact O-N 2.82Å; E338-I340 VanDerWaalsContact C-N 3.33Å; E338-I340 PolarHBondContact O-N 3Å; E338-R341 PolarHBondContact O-N 3.03Å; E338-R342 WeakPolarHBondContact O-CG 3.24Å; E338-R342 PolarHBondContact O-N 3.29Å; E338-R342 IonicContact OE1-CZ 2.69Å; E338-R342 IonicContact OE1-NE 2.67Å; E338-R342 PolarHBondContact OE1-NE 2.9Å; E338-R342 IonicContact OE1-NH2 3.41Å; E338-R342 PolarHBondContact OE1-NH2 3.22Å; E338-R342 IonicContact OE2-NH2 3.65Å
339	R	83.6	Confident	83.6	Confident	191 Å²	191	125.9 Å²	125.9	72%	0.721	53%	0.526	S	S	*	.	H	α-helix	trans	-62	-39.9	173.7	-74.1	177.7	71.6	-159.3	2	112.2	R335 E336 Q343	R335-R339 WeakPolarHBondContact O-CG 3.37Å; R335-R339 PolarHBondContact O-N 2.84Å; E336-R339 PolarHBondContact O-N 2.95Å; R339-Q343 WeakPolarHBondContact O-CB 3.47Å; R339-Q343 PolarHBondContact O-N 2.96Å
340	I	84.1	Confident	83.7	Confident	84 Å²	84	128.2 Å²	128.2	43%	0.431	53%	0.531	S	S	.	.	H	α-helix	trans	-63	-48.4	173.3	-65.7	164.5	0	0	0	109.8	E336 K337 E338 R342 Q343 D344	E336-I340 HydrophobicContact CG-CD1 4.29Å; E336-I340 WeakPolarHBondContact O-CG1 3.21Å; E336-I340 PolarHBondContact O-N 2.92Å; K337-I340 PolarHBondContact O-N 3.09Å; E338-I340 VanDerWaalsContact C-N 3.33Å; E338-I340 PolarHBondContact O-N 3Å; I340-R342 VanDerWaalsContact C-N 3.35Å; I340-R342 PolarHBondContact O-N 2.9Å; I340-Q343 PolarHBondContact O-N 2.96Å; I340-Q343 VanDerWaalsContact O-N 3.09Å; I340-D344 PolarHBondContact O-N 2.87Å
341	R	86	Confident	84.1	Confident	161 Å²	161	129.1 Å²	129.1	61%	0.608	53%	0.534	S	S	*	.	H	α-helix	trans	-57.1	-45.3	177.6	-160.8	-170.5	86.2	-169.8	4.2	112.1	K337 E338 D344 E345	K337-R341 WeakPolarHBondContact O-CB 3.14Å; K337-R341 PolarHBondContact O-N 3.36Å; E338-R341 PolarHBondContact O-N 3.03Å; R341-D344 PolarHBondContact O-N 3.37Å; R341-E345 VanDerWaalsContact O-CB 3.32Å; R341-E345 WeakPolarHBondContact O-CB 3.44Å; R341-E345 PolarHBondContact O-N 2.9Å
342	R	84.9	Confident	84	Confident	155 Å²	155	129.3 Å²	129.3	59%	0.585	54%	0.535	S	S	*	.	H	α-helix	trans	-62.5	-40.5	175.8	-70.3	178.1	-175	-145.4	8.5	111.8	E338 I340 E345 E346	E338-R342 WeakPolarHBondContact O-CG 3.24Å; E338-R342 PolarHBondContact O-N 3.29Å; E338-R342 IonicContact OE1-CZ 2.69Å; E338-R342 IonicContact OE1-NE 2.67Å; E338-R342 PolarHBondContact OE1-NE 2.9Å; E338-R342 IonicContact OE1-NH2 3.41Å; E338-R342 PolarHBondContact OE1-NH2 3.22Å; E338-R342 IonicContact OE2-NH2 3.65Å; I340-R342 VanDerWaalsContact C-N 3.35Å; I340-R342 PolarHBondContact O-N 2.9Å; R342-E345 PolarHBondContact O-N 3.47Å; R342-E346 PolarHBondContact O-N 3.37Å
343	Q	84.4	Confident	84.2	Confident	101 Å²	101	126.4 Å²	126.4	47%	0.472	53%	0.53	S	S	.	.	H	α-helix	trans	-67.5	-38.4	176.8	-172.8	178	54.4	0	0	112.3	R339 I340 E346 R347	R339-Q343 WeakPolarHBondContact O-CB 3.47Å; R339-Q343 PolarHBondContact O-N 2.96Å; I340-Q343 PolarHBondContact O-N 2.96Å; I340-Q343 VanDerWaalsContact O-N 3.09Å; Q343-E346 PolarHBondContact O-N 3.46Å; Q343-R347 WeakPolarHBondContact O-CB 3.49Å; Q343-R347 WeakPolarHBondContact O-CG 3.45Å; Q343-R347 PolarHBondContact O-N 3.48Å
344	D	85.1	Confident	84	Confident	76 Å²	76	125.7 Å²	125.7	41%	0.406	53%	0.532	S	S	.	.	H	α-helix	trans	-73.1	-34.2	176.8	-72.6	-27.6	0	0	0	112.5	I340 R341 R347 R348	I340-D344 PolarHBondContact O-N 2.87Å; R341-D344 PolarHBondContact O-N 3.37Å; D344-R347 PolarHBondContact O-N 2.87Å; D344-R347 IonicContact OD1-CZ 2.66Å; D344-R347 IonicContact OD1-NE 3.11Å; D344-R347 PolarHBondContact OD1-NE 2.92Å; D344-R347 IonicContact OD1-NH2 2.74Å; D344-R347 PolarHBondContact OD1-NH2 2.98Å; D344-R348 WeakPolarHBondContact O-CB 3.31Å; D344-R348 PolarHBondContact O-N 3.04Å
345	E	86.6	Confident	83.7	Confident	73 Å²	73	124.6 Å²	124.6	34%	0.341	53%	0.527	S	S	.	.	H	α-helix	trans	-65.4	-40.6	170.5	-161.2	-172.7	138.3	0	0	111.6	R341 R342 R348 R349	R341-E345 VanDerWaalsContact O-CB 3.32Å; R341-E345 WeakPolarHBondContact O-CB 3.44Å; R341-E345 PolarHBondContact O-N 2.9Å; R342-E345 PolarHBondContact O-N 3.47Å; E345-R348 PolarHBondContact O-N 3.38Å; E345-R349 VanDerWaalsContact O-CG 3.3Å; E345-R349 WeakPolarHBondContact O-CG 3.37Å; E345-R349 PolarHBondContact O-N 3.04Å; E345-R349 IonicContact OE1-CZ 2.61Å; E345-R349 IonicContact OE1-NE 2.71Å; E345-R349 PolarHBondContact OE1-NE 2.72Å; E345-R349 IonicContact OE1-NH2 3.65Å; E345-R349 PolarHBondContact OE1-NH2 3.05Å
346	E	87.8	Confident	83.9	Confident	95 Å²	95	118.6 Å²	118.6	44%	0.444	51%	0.513	S	S	.	.	H	α-helix	trans	-65.3	-43.4	172.5	-162.6	-160.5	145	0	0	111.7	R342 Q343 R348 R349 R350	R342-E346 PolarHBondContact O-N 3.37Å; Q343-E346 PolarHBondContact O-N 3.46Å; E346-R348 VanDerWaalsContact C-N 3.26Å; E346-R348 PolarHBondContact O-N 2.93Å; E346-R349 PolarHBondContact O-N 3.28Å; E346-R350 WeakPolarHBondContact O-CB 3.27Å; E346-R350 WeakPolarHBondContact O-CG 3.38Å; E346-R350 PolarHBondContact O-N 2.81Å; E346-R350 IonicContact OE1-CZ 2.94Å; E346-R350 IonicContact OE1-NE 3.44Å; E346-R350 PolarHBondContact OE1-NE 2.88Å; E346-R350 IonicContact OE1-NH2 3.5Å; E346-R350 PolarHBondContact OE1-NH2 3.47Å
347	R	85.6	Confident	84	Confident	123 Å²	123	117.5 Å²	117.5	46%	0.464	51%	0.508	S	S	.	.	H	α-helix	trans	-59.8	-36.6	173.8	-78.5	-168.6	-83.9	-130.2	-3.6	111.9	Q343 D344 R351	Q343-R347 WeakPolarHBondContact O-CB 3.49Å; Q343-R347 WeakPolarHBondContact O-CG 3.45Å; Q343-R347 PolarHBondContact O-N 3.48Å; D344-R347 PolarHBondContact O-N 2.87Å; D344-R347 IonicContact OD1-CZ 2.66Å; D344-R347 IonicContact OD1-NE 3.11Å; D344-R347 PolarHBondContact OD1-NE 2.92Å; D344-R347 IonicContact OD1-NH2 2.74Å; D344-R347 PolarHBondContact OD1-NH2 2.98Å; R347-R351 WeakPolarHBondContact O-CG 3.4Å; R347-R351 PolarHBondContact O-N 3.4Å
348	R	86.4	Confident	83.7	Confident	160 Å²	160	114.6 Å²	114.6	60%	0.604	50%	0.5	S	S	*	.	H	α-helix	trans	-68.1	-52.1	174.5	179.3	177.9	168.5	164.1	2.4	111.4	D344 E345 E346 R350 R351 E352	D344-R348 WeakPolarHBondContact O-CB 3.31Å; D344-R348 PolarHBondContact O-N 3.04Å; E345-R348 PolarHBondContact O-N 3.38Å; E346-R348 VanDerWaalsContact C-N 3.26Å; E346-R348 PolarHBondContact O-N 2.93Å; R348-R350 VanDerWaalsContact C-N 3.26Å; R348-R350 PolarHBondContact O-N 2.88Å; R348-R351 WeakPolarHBondContact O-CA 3.39Å; R348-R351 WeakPolarHBondContact O-CB 3.35Å; R348-R351 PolarHBondContact O-N 3.23Å; R348-E352 HydrophobicContact CG-CG 4.43Å; R348-E352 IonicContact CZ-OE1 2.93Å; R348-E352 VanDerWaalsContact CZ-OE1 3.23Å; R348-E352 IonicContact NE-OE1 3.63Å; R348-E352 PolarHBondContact NE-OE1 2.93Å; R348-E352 IonicContact NE-OE2 2.67Å; R348-E352 IonicContact NH2-OE1 2.69Å; R348-E352 PolarHBondContact NH2-OE1 2.85Å; R348-E352 PolarHBondContact O-N 3.47Å
349	R	85.3	Confident	83.6	Confident	148 Å²	148	115.4 Å²	115.4	56%	0.558	51%	0.51	S	S	*	.	H	α-helix	trans	-56.3	-38.7	177.7	-71.3	170	-176.4	-120.3	7.4	112.1	E345 E346 E352 Q353	E345-R349 VanDerWaalsContact O-CG 3.3Å; E345-R349 WeakPolarHBondContact O-CG 3.37Å; E345-R349 PolarHBondContact O-N 3.04Å; E345-R349 IonicContact OE1-CZ 2.61Å; E345-R349 IonicContact OE1-NE 2.71Å; E345-R349 PolarHBondContact OE1-NE 2.72Å; E345-R349 IonicContact OE1-NH2 3.65Å; E345-R349 PolarHBondContact OE1-NH2 3.05Å; E346-R349 PolarHBondContact O-N 3.28Å; R349-E352 PolarHBondContact O-N 3.18Å; R349-Q353 WeakPolarHBondContact O-CB 3.22Å; R349-Q353 WeakPolarHBondContact O-CG 3.43Å; R349-Q353 PolarHBondContact O-N 3.29Å
350	R	80.3	Confident	83.5	Confident	143 Å²	143	110 Å²	110	54%	0.54	50%	0.502	S	S	.	.	H	α-helix	trans	-66.1	-33.8	174.9	-73.9	178.2	-177.3	-84.2	1.2	113.5	E346 R348 Q354	E346-R350 WeakPolarHBondContact O-CB 3.27Å; E346-R350 WeakPolarHBondContact O-CG 3.38Å; E346-R350 PolarHBondContact O-N 2.81Å; E346-R350 IonicContact OE1-CZ 2.94Å; E346-R350 IonicContact OE1-NE 3.44Å; E346-R350 PolarHBondContact OE1-NE 2.88Å; E346-R350 IonicContact OE1-NH2 3.5Å; E346-R350 PolarHBondContact OE1-NH2 3.47Å; R348-R350 VanDerWaalsContact C-N 3.26Å; R348-R350 PolarHBondContact O-N 2.88Å; R350-Q354 WeakPolarHBondContact O-CG 3.27Å; R350-Q354 PolarHBondContact O-N 3.18Å; R350-Q354 VanDerWaalsContact O-N 3.11Å
351	R	83.9	Confident	83.5	Confident	173 Å²	173	112.7 Å²	112.7	65%	0.653	51%	0.506	S	S	*	.	H	α-helix	trans	-70.1	-48.6	171.7	-71.4	177.5	-178.2	-166.7	0.1	111	R347 R348 Q353 Q354 D355	R347-R351 WeakPolarHBondContact O-CG 3.4Å; R347-R351 PolarHBondContact O-N 3.4Å; R348-R351 WeakPolarHBondContact O-CA 3.39Å; R348-R351 WeakPolarHBondContact O-CB 3.35Å; R348-R351 PolarHBondContact O-N 3.23Å; R351-Q353 PolarHBondContact O-N 2.84Å; R351-Q354 CarbonylContact O-C 3.57Å; R351-Q354 PolarHBondContact O-N 3.43Å; R351-D355 WeakPolarHBondContact O-CB 3.32Å; R351-D355 PolarHBondContact O-N 3.41Å
352	E	83.1	Confident	83.4	Confident	93 Å²	93	110.2 Å²	110.2	44%	0.435	50%	0.5	S	S	.	.	H	α-helix	trans	-58.3	-34.9	178.1	-69.4	168	159	0	0	111.8	R348 R349 G356	R348-E352 HydrophobicContact CG-CG 4.43Å; R348-E352 IonicContact CZ-OE1 2.93Å; R348-E352 VanDerWaalsContact CZ-OE1 3.23Å; R348-E352 IonicContact NE-OE1 3.63Å; R348-E352 PolarHBondContact NE-OE1 2.93Å; R348-E352 IonicContact NE-OE2 2.67Å; R348-E352 IonicContact NH2-OE1 2.69Å; R348-E352 PolarHBondContact NH2-OE1 2.85Å; R348-E352 PolarHBondContact O-N 3.47Å; R349-E352 PolarHBondContact O-N 3.18Å; E352-G356 PolarHBondContact O-N 2.92Å
353	Q	83.2	Confident	83.3	Confident	127 Å²	127	111.6 Å²	111.6	59%	0.593	51%	0.505	S	S	*	.	H	α-helix	trans	-67.3	-45.8	169.4	-76	174.3	-12.5	0	0	113.4	R349 R351 G356 E357	R349-Q353 WeakPolarHBondContact O-CB 3.22Å; R349-Q353 WeakPolarHBondContact O-CG 3.43Å; R349-Q353 PolarHBondContact O-N 3.29Å; R351-Q353 PolarHBondContact O-N 2.84Å; Q353-G356 PolarHBondContact O-N 3.46Å; Q353-E357 PolarHBondContact O-N 3.35Å
354	Q	79.1	Confident	83.3	Confident	122 Å²	122	113.1 Å²	113.1	57%	0.57	51%	0.512	S	S	*	.	H	α-helix	trans	-65.8	-37.9	177.8	-76.5	-179.4	-16.5	0	0	112.6	R350 R351 E357 N358	R350-Q354 WeakPolarHBondContact O-CG 3.27Å; R350-Q354 PolarHBondContact O-N 3.18Å; R350-Q354 VanDerWaalsContact O-N 3.11Å; R351-Q354 CarbonylContact O-C 3.57Å; R351-Q354 PolarHBondContact O-N 3.43Å; Q354-E357 PolarHBondContact O-N 2.74Å; Q354-N358 VanDerWaalsContact O-CB 3.28Å; Q354-N358 WeakPolarHBondContact O-CB 3.42Å; Q354-N358 PolarHBondContact O-N 3.33Å; Q354-N358 PolarHBondContact O-ND2 2.98Å
355	D	78.5	Confident	83.2	Confident	94 Å²	94	114.4 Å²	114.4	50%	0.503	52%	0.516	S	S	.	.	H	α-helix	trans	-71.2	-34.7	175.9	-65	-34.9	0	0	0	111	R351 N358 T359	R351-D355 WeakPolarHBondContact O-CB 3.32Å; R351-D355 PolarHBondContact O-N 3.41Å; D355-N358 PolarHBondContact O-N 2.82Å; D355-T359 WeakPolarHBondContact O-CB 3.47Å; D355-T359 WeakPolarHBondContact O-CG2 3.26Å; D355-T359 PolarHBondContact O-N 3.06Å; D355-T359 PolarHBondContact O-OG1 2.67Å
356	G	83.7	Confident	83	Confident	30 Å²	30	115.4 Å²	115.4	31%	0.309	52%	0.521	S	S	.	.	H	α-helix	trans	-60	-50.8	166.8	0	0	0	0	0	112.7	E352 Q353 N358 T359 S360	E352-G356 PolarHBondContact O-N 2.92Å; Q353-G356 PolarHBondContact O-N 3.46Å; G356-N358 PolarHBondContact O-N 3.39Å; G356-T359 PolarHBondContact O-N 2.73Å; G356-T359 PolarHBondContact O-OG1 3.03Å; G356-S360 WeakPolarHBondContact O-CB 3.14Å; G356-S360 PolarHBondContact O-N 3.22Å; G356-S360 PolarHBondContact O-OG 2.93Å; G356-S360 VanDerWaalsContact O-OG 3.07Å
357	E	83.6	Confident	82.8	Confident	95 Å²	95	114.6 Å²	114.6	44%	0.444	52%	0.518	S	S	.	.	H	α-helix	trans	-60.6	-42.9	175	-78.2	-173.1	-163	0	0	112.3	Q353 Q354 S360 R361	Q353-E357 PolarHBondContact O-N 3.35Å; Q354-E357 PolarHBondContact O-N 2.74Å; E357-S360 PolarHBondContact O-N 2.84Å; E357-R361 WeakPolarHBondContact O-CB 3.34Å; E357-R361 VanDerWaalsContact O-CG 3.28Å; E357-R361 WeakPolarHBondContact O-CG 3.42Å; E357-R361 PolarHBondContact O-N 3.32Å; E357-R361 IonicContact OE2-CZ 3.19Å; E357-R361 VanDerWaalsContact OE2-CZ 3.25Å; E357-R361 IonicContact OE2-NH1 2.66Å; E357-R361 PolarHBondContact OE2-NH1 2.92Å; E357-R361 VanDerWaalsContact OE2-NH1 3.15Å; E357-R361 IonicContact OE2-NH2 2.82Å; E357-R361 PolarHBondContact OE2-NH2 2.69Å
358	N	79.1	Confident	82.8	Confident	88 Å²	88	118 Å²	118	47%	0.471	53%	0.531	S	S	.	.	H	α-helix	trans	-65.8	-40.6	-179.8	-74.6	-30.7	0	0	0	111.8	Q354 D355 G356 K362	Q354-N358 VanDerWaalsContact O-CB 3.28Å; Q354-N358 WeakPolarHBondContact O-CB 3.42Å; Q354-N358 PolarHBondContact O-N 3.33Å; Q354-N358 PolarHBondContact O-ND2 2.98Å; D355-N358 PolarHBondContact O-N 2.82Å; G356-N358 PolarHBondContact O-N 3.39Å; N358-K362 VanDerWaalsContact O-CB 3.3Å; N358-K362 WeakPolarHBondContact O-CB 3.17Å; N358-K362 PolarHBondContact O-N 3.1Å
359	T	82.1	Confident	82.7	Confident	92 Å²	92	115.4 Å²	115.4	56%	0.564	52%	0.524	S	S	*	.	H	α-helix	trans	-70.1	-38.9	175.4	49.5	0	0	0	0	112	D355 G356 K362 R363	D355-T359 WeakPolarHBondContact O-CB 3.47Å; D355-T359 WeakPolarHBondContact O-CG2 3.26Å; D355-T359 PolarHBondContact O-N 3.06Å; D355-T359 PolarHBondContact O-OG1 2.67Å; G356-T359 PolarHBondContact O-N 2.73Å; G356-T359 PolarHBondContact O-OG1 3.03Å; T359-K362 PolarHBondContact O-N 2.61Å; T359-R363 WeakPolarHBondContact O-CB 3.35Å; T359-R363 PolarHBondContact O-N 2.78Å
360	S	80.8	Confident	82.3	Confident	77 Å²	77	114.7 Å²	114.7	54%	0.538	53%	0.527	S	S	.	.	H	α-helix	trans	-61.3	-49.5	171.6	-65.2	0	0	0	0	112.4	G356 E357 K362 R363 E364	G356-S360 WeakPolarHBondContact O-CB 3.14Å; G356-S360 PolarHBondContact O-N 3.22Å; G356-S360 PolarHBondContact O-OG 2.93Å; G356-S360 VanDerWaalsContact O-OG 3.07Å; E357-S360 PolarHBondContact O-N 2.84Å; S360-K362 PolarHBondContact O-N 3.11Å; S360-R363 WeakPolarHBondContact O-CB 3.32Å; S360-R363 PolarHBondContact O-N 2.93Å; S360-E364 PolarHBondContact O-N 3.39Å
361	R	83.8	Confident	82.4	Confident	140 Å²	140	114.3 Å²	114.3	53%	0.528	53%	0.53	S	S	.	.	H	α-helix	trans	-61.4	-40.3	176.5	-74	176.2	-175.1	134.9	12.4	112	E357 R363 E364 E365	E357-R361 WeakPolarHBondContact O-CB 3.34Å; E357-R361 VanDerWaalsContact O-CG 3.28Å; E357-R361 WeakPolarHBondContact O-CG 3.42Å; E357-R361 PolarHBondContact O-N 3.32Å; E357-R361 IonicContact OE2-CZ 3.19Å; E357-R361 VanDerWaalsContact OE2-CZ 3.25Å; E357-R361 IonicContact OE2-NH1 2.66Å; E357-R361 PolarHBondContact OE2-NH1 2.92Å; E357-R361 VanDerWaalsContact OE2-NH1 3.15Å; E357-R361 IonicContact OE2-NH2 2.82Å; E357-R361 PolarHBondContact OE2-NH2 2.69Å; R361-R363 VanDerWaalsContact C-N 3.34Å; R361-R363 PolarHBondContact O-N 3.28Å; R361-E364 PolarHBondContact O-N 3Å; R361-E365 WeakPolarHBondContact O-CB 3.44Å; R361-E365 PolarHBondContact O-N 3.25Å
362	K	84.3	Confident	82.2	Confident	110 Å²	110	108.5 Å²	108.5	48%	0.478	52%	0.518	S	S	.	.	H	α-helix	trans	-61.4	-42.5	174.6	-174.8	178.3	-179.9	-83.6	0	111.5	N358 T359 S360 E365 E366	N358-K362 VanDerWaalsContact O-CB 3.3Å; N358-K362 WeakPolarHBondContact O-CB 3.17Å; N358-K362 PolarHBondContact O-N 3.1Å; T359-K362 PolarHBondContact O-N 2.61Å; S360-K362 PolarHBondContact O-N 3.11Å; K362-E365 PolarHBondContact O-N 3.04Å; K362-E366 WeakPolarHBondContact CE-OE1 3.42Å; K362-E366 VanDerWaalsContact NZ-CD 3.35Å; K362-E366 IonicContact NZ-OE1 2.63Å; K362-E366 PolarHBondContact NZ-OE1 2.78Å; K362-E366 IonicContact NZ-OE2 2.62Å; K362-E366 PolarHBondContact NZ-OE2 3.22Å; K362-E366 WeakPolarHBondContact O-CB 3.26Å; K362-E366 WeakPolarHBondContact O-CG 3.49Å; K362-E366 PolarHBondContact O-N 3.03Å
363	R	81.9	Confident	81.7	Confident	184 Å²	184	109.6 Å²	109.6	69%	0.694	53%	0.525	S	S	*	.	H	α-helix	trans	-65.5	-41.8	177.5	-162	-179.3	-150.5	175.1	6.9	111.8	T359 S360 R361 E366 I367	T359-R363 WeakPolarHBondContact O-CB 3.35Å; T359-R363 PolarHBondContact O-N 2.78Å; S360-R363 WeakPolarHBondContact O-CB 3.32Å; S360-R363 PolarHBondContact O-N 2.93Å; R361-R363 VanDerWaalsContact C-N 3.34Å; R361-R363 PolarHBondContact O-N 3.28Å; R363-E366 PolarHBondContact O-N 3.15Å; R363-I367 HydrophobicContact CG-CD1 4.39Å; R363-I367 VanDerWaalsContact O-CG1 3.3Å; R363-I367 WeakPolarHBondContact O-CG1 3.36Å; R363-I367 PolarHBondContact O-N 2.96Å
364	E	84.8	Confident	81.3	Confident	133 Å²	133	109.6 Å²	109.6	62%	0.621	53%	0.525	S	S	*	.	H	α-helix	trans	-63.2	-41.9	173.7	-168.9	-171.4	164.1	0	0	111.7	S360 R361 I367 R368	S360-E364 PolarHBondContact O-N 3.39Å; R361-E364 PolarHBondContact O-N 3Å; E364-I367 PolarHBondContact O-N 2.81Å; E364-R368 VanDerWaalsContact O-CB 3.29Å; E364-R368 WeakPolarHBondContact O-CB 3.12Å; E364-R368 PolarHBondContact O-N 3.13Å
365	E	83.8	Confident	81.2	Confident	102 Å²	102	109.8 Å²	109.8	48%	0.477	52%	0.524	S	S	.	.	H	α-helix	trans	-66.6	-36.6	176.1	-156.6	-159.1	162.3	0	0	112.2	R361 K362 R368 K369	R361-E365 WeakPolarHBondContact O-CB 3.44Å; R361-E365 PolarHBondContact O-N 3.25Å; K362-E365 PolarHBondContact O-N 3.04Å; E365-R368 PolarHBondContact O-N 2.62Å; E365-K369 WeakPolarHBondContact O-CB 3.43Å; E365-K369 WeakPolarHBondContact O-CD 3.48Å; E365-K369 VanDerWaalsContact O-CG 3.23Å; E365-K369 WeakPolarHBondContact O-CG 3.46Å; E365-K369 PolarHBondContact O-N 3.37Å; E365-K369 WeakPolarHBondContact OE1-CE 3.31Å; E365-K369 IonicContact OE1-NZ 3.19Å; E365-K369 PolarHBondContact OE1-NZ 2.86Å; E365-K369 IonicContact OE2-NZ 3.36Å; E365-K369 PolarHBondContact OE2-NZ 2.79Å
366	E	82.8	Confident	80.9	Confident	95 Å²	95	113.8 Å²	113.8	44%	0.444	53%	0.532	S	S	.	.	H	α-helix	trans	-66.8	-45.9	173.3	-78.1	173.9	170.4	0	0	111.4	K362 R363 R368 K369 E370	K362-E366 WeakPolarHBondContact CE-OE1 3.42Å; K362-E366 VanDerWaalsContact NZ-CD 3.35Å; K362-E366 IonicContact NZ-OE1 2.63Å; K362-E366 PolarHBondContact NZ-OE1 2.78Å; K362-E366 IonicContact NZ-OE2 2.62Å; K362-E366 PolarHBondContact NZ-OE2 3.22Å; K362-E366 WeakPolarHBondContact O-CB 3.26Å; K362-E366 WeakPolarHBondContact O-CG 3.49Å; K362-E366 PolarHBondContact O-N 3.03Å; R363-E366 PolarHBondContact O-N 3.15Å; E366-R368 VanDerWaalsContact C-N 3.28Å; E366-R368 PolarHBondContact O-N 3.4Å; E366-K369 PolarHBondContact O-N 2.9Å; E366-K369 VanDerWaalsContact O-N 3.16Å; E366-E370 WeakPolarHBondContact O-CB 3.38Å; E366-E370 PolarHBondContact O-N 3.2Å
367	I	83.7	Confident	80.1	Confident	77 Å²	77	121.2 Å²	121.2	40%	0.395	55%	0.55	S	S	.	*	H	α-helix	trans	-60.3	-38	172.6	-67.8	163.9	0	0	0	111.2	R363 E364 E370 K371	R363-I367 HydrophobicContact CG-CD1 4.39Å; R363-I367 VanDerWaalsContact O-CG1 3.3Å; R363-I367 WeakPolarHBondContact O-CG1 3.36Å; R363-I367 PolarHBondContact O-N 2.96Å; E364-I367 PolarHBondContact O-N 2.81Å; I367-E370 PolarHBondContact O-N 3.48Å; I367-K371 HydrophobicContact CG2-CD 4.31Å; I367-K371 WeakPolarHBondContact O-CB 3.37Å; I367-K371 WeakPolarHBondContact O-CG 3.43Å; I367-K371 PolarHBondContact O-N 2.79Å
368	R	84.1	Confident	79.1	Confident	195 Å²	195	120.1 Å²	120.1	74%	0.736	55%	0.553	S	S	*	*	H	α-helix	trans	-69	-36.3	176.7	-172.4	175.3	179.1	179.3	0.2	112.3	E364 E365 E366 A372	E364-R368 VanDerWaalsContact O-CB 3.29Å; E364-R368 WeakPolarHBondContact O-CB 3.12Å; E364-R368 PolarHBondContact O-N 3.13Å; E365-R368 PolarHBondContact O-N 2.62Å; E366-R368 VanDerWaalsContact C-N 3.28Å; E366-R368 PolarHBondContact O-N 3.4Å; R368-A372 VanDerWaalsContact O-CB 3.28Å; R368-A372 WeakPolarHBondContact O-CB 3.37Å; R368-A372 PolarHBondContact O-N 3.29Å
369	K	84.1	Confident	78.1	Confident	106 Å²	106	120.9 Å²	120.9	46%	0.461	55%	0.554	S	S	.	*	H	α-helix	trans	-69.3	-39.8	172.9	-75.3	162.8	-175.5	163	0	111.7	E365 E366 A372 M373	E365-K369 WeakPolarHBondContact O-CB 3.43Å; E365-K369 WeakPolarHBondContact O-CD 3.48Å; E365-K369 VanDerWaalsContact O-CG 3.23Å; E365-K369 WeakPolarHBondContact O-CG 3.46Å; E365-K369 PolarHBondContact O-N 3.37Å; E365-K369 WeakPolarHBondContact OE1-CE 3.31Å; E365-K369 IonicContact OE1-NZ 3.19Å; E365-K369 PolarHBondContact OE1-NZ 2.86Å; E365-K369 IonicContact OE2-NZ 3.36Å; E365-K369 PolarHBondContact OE2-NZ 2.79Å; E366-K369 PolarHBondContact O-N 2.9Å; E366-K369 VanDerWaalsContact O-N 3.16Å; K369-A372 PolarHBondContact O-N 3.24Å; K369-M373 WeakPolarHBondContact O-CG 3.48Å; K369-M373 PolarHBondContact O-N 3.41Å
370	E	78.3	Confident	76.7	Confident	132 Å²	132	123.7 Å²	123.7	62%	0.617	57%	0.566	S	S	*	*	H	α-helix	trans	-61.3	-53.7	175.6	-175.1	165	-133.4	0	0	110.7	E366 I367 A372 M373 E374	E366-E370 WeakPolarHBondContact O-CB 3.38Å; E366-E370 PolarHBondContact O-N 3.2Å; I367-E370 PolarHBondContact O-N 3.48Å; E370-A372 VanDerWaalsContact C-N 3.25Å; E370-A372 PolarHBondContact O-N 2.91Å; E370-M373 CarbonylContact O-C 3.57Å; E370-M373 PolarHBondContact O-N 3.39Å; E370-E374 WeakPolarHBondContact O-CB 3.32Å; E370-E374 PolarHBondContact O-N 3.1Å
371	K	81.4	Confident	75.2	Confident	136 Å²	136	125 Å²	125	59%	0.591	58%	0.575	S	S	*	*	H	α-helix	trans	-59	-32.6	174	-71.2	-178.6	177.7	-173.7	0	113.5	I367 K375	I367-K371 HydrophobicContact CG2-CD 4.31Å; I367-K371 WeakPolarHBondContact O-CB 3.37Å; I367-K371 WeakPolarHBondContact O-CG 3.43Å; I367-K371 PolarHBondContact O-N 2.79Å; K371-K375 WeakPolarHBondContact O-CB 3.35Å; K371-K375 PolarHBondContact O-N 2.82Å
372	A	79.5	Confident	73.5	Confident	50 Å²	50	121.7 Å²	121.7	41%	0.413	58%	0.578	S	S	.	*	H	α-helix	trans	-73	-32.2	174.2	0	0	0	0	0	113.1	R368 K369 E370 R376	R368-A372 VanDerWaalsContact O-CB 3.28Å; R368-A372 WeakPolarHBondContact O-CB 3.37Å; R368-A372 PolarHBondContact O-N 3.29Å; K369-A372 PolarHBondContact O-N 3.24Å; E370-A372 VanDerWaalsContact C-N 3.25Å; E370-A372 PolarHBondContact O-N 2.91Å; A372-R376 WeakPolarHBondContact O-CB 3.47Å; A372-R376 VanDerWaalsContact O-CG 3.27Å; A372-R376 WeakPolarHBondContact O-CG 3.42Å; A372-R376 PolarHBondContact O-N 2.85Å
373	M	74.3	Confident	71.1	Confident	117 Å²	117	123.8 Å²	123.8	58%	0.576	59%	0.594	S	S	*	*	H	α-helix	trans	-76.3	-36.3	172.1	-70.3	-132.6	-62.3	0	0	112.2	K369 E370 R376 R377	K369-M373 WeakPolarHBondContact O-CG 3.48Å; K369-M373 PolarHBondContact O-N 3.41Å; E370-M373 CarbonylContact O-C 3.57Å; E370-M373 PolarHBondContact O-N 3.39Å; M373-R376 PolarHBondContact O-N 3.47Å; M373-R377 VanDerWaalsContact O-CG 3.32Å; M373-R377 WeakPolarHBondContact O-CG 3.48Å; M373-R377 PolarHBondContact O-N 2.87Å
374	E	73.3	Confident	69.1	Low	126 Å²	126	119.9 Å²	119.9	59%	0.589	60%	0.601	S	S	*	*	H	α-helix	trans	-63	-48.7	173.3	-175.3	174.1	-137.8	0	0	110.8	E370 R376 R377 S378	E370-E374 WeakPolarHBondContact O-CB 3.32Å; E370-E374 PolarHBondContact O-N 3.1Å; E374-R376 VanDerWaalsContact C-N 3.32Å; E374-R376 PolarHBondContact O-N 3.5Å; E374-R377 CarbonylContact O-C 3.57Å; E374-R377 WeakPolarHBondContact O-CA 3.33Å; E374-R377 WeakPolarHBondContact O-CB 3.45Å; E374-R377 PolarHBondContact O-N 3.33Å; E374-S378 PolarHBondContact O-N 2.81Å; E374-S378 PolarHBondContact O-OG 3.11Å
375	K	76.8	Confident	66.8	Low	127 Å²	127	120.2 Å²	120.2	55%	0.552	60%	0.603	S	S	*	*	H	α-helix	trans	-58.1	-42.5	174.1	-179.9	162.9	172.3	167	0	112.3	K371 R377 S378 E379	K371-K375 WeakPolarHBondContact O-CB 3.35Å; K371-K375 PolarHBondContact O-N 2.82Å; K375-R377 VanDerWaalsContact C-N 3.27Å; K375-R377 PolarHBondContact O-N 2.85Å; K375-S378 WeakPolarHBondContact CA-OG 3.47Å; K375-S378 PolarHBondContact O-N 3.25Å; K375-S378 PolarHBondContact O-OG 2.93Å; K375-E379 WeakPolarHBondContact CE-OE1 3.47Å; K375-E379 HydrophobicContact CG-CG 4.34Å; K375-E379 IonicContact NZ-OE1 2.89Å; K375-E379 WeakPolarHBondContact O-CB 3.25Å; K375-E379 VanDerWaalsContact O-CG 3.3Å; K375-E379 WeakPolarHBondContact O-CG 3.44Å; K375-E379 PolarHBondContact O-N 2.67Å
376	R	73.6	Confident	64.7	Low	177 Å²	177	123 Å²	123	67%	0.668	61%	0.613	S	S	*	*	H	α-helix	trans	-66.1	-24.2	173.3	-75.4	173.9	174.6	-165.1	-3.1	114	A372 M373 E374 N380	A372-R376 WeakPolarHBondContact O-CB 3.47Å; A372-R376 VanDerWaalsContact O-CG 3.27Å; A372-R376 WeakPolarHBondContact O-CG 3.42Å; A372-R376 PolarHBondContact O-N 2.85Å; M373-R376 PolarHBondContact O-N 3.47Å; E374-R376 VanDerWaalsContact C-N 3.32Å; E374-R376 PolarHBondContact O-N 3.5Å; R376-N380 WeakPolarHBondContact O-CB 3.4Å; R376-N380 VanDerWaalsContact O-CG 3.28Å; R376-N380 PolarHBondContact O-N 2.74Å; R376-N380 PolarHBondContact O-OD1 2.92Å
377	R	66.9	Low	62.4	Low	186 Å²	186	125.7 Å²	125.7	70%	0.702	64%	0.636	S	S	*	*	H	α-helix	trans	-77.8	-38.4	172.2	-76.3	169.5	173.2	-174.6	-2.7	111.6	M373 E374 K375 N380 S381	M373-R377 VanDerWaalsContact O-CG 3.32Å; M373-R377 WeakPolarHBondContact O-CG 3.48Å; M373-R377 PolarHBondContact O-N 2.87Å; E374-R377 CarbonylContact O-C 3.57Å; E374-R377 WeakPolarHBondContact O-CA 3.33Å; E374-R377 WeakPolarHBondContact O-CB 3.45Å; E374-R377 PolarHBondContact O-N 3.33Å; K375-R377 VanDerWaalsContact C-N 3.27Å; K375-R377 PolarHBondContact O-N 2.85Å; R377-N380 PolarHBondContact O-N 3.13Å; R377-S381 PolarHBondContact O-N 2.79Å
378	S	61.8	Low	60.1	Low	72 Å²	72	131 Å²	131	50%	0.503	66%	0.659	S	S	.	*	H	α-helix	trans	-68.1	-39.5	172.2	52.4	0	0	0	0	112.5	E374 K375 N380 S381	E374-S378 PolarHBondContact O-N 2.81Å; E374-S378 PolarHBondContact O-OG 3.11Å; K375-S378 WeakPolarHBondContact CA-OG 3.47Å; K375-S378 PolarHBondContact O-N 3.25Å; K375-S378 PolarHBondContact O-OG 2.93Å; S378-N380 VanDerWaalsContact C-N 3.28Å; S378-N380 PolarHBondContact O-N 2.9Å; S378-S381 PolarHBondContact O-N 3.06Å
379	E	58.2	Low	57.9	Low	104 Å²	104	131.1 Å²	131.1	49%	0.486	67%	0.665	S	S	.	*	H	α-helix	trans	-66.1	-30.6	175.2	-72	169	157.7	0	0	111.7	K375 S381	K375-E379 WeakPolarHBondContact CE-OE1 3.47Å; K375-E379 HydrophobicContact CG-CG 4.34Å; K375-E379 IonicContact NZ-OE1 2.89Å; K375-E379 WeakPolarHBondContact O-CB 3.25Å; K375-E379 VanDerWaalsContact O-CG 3.3Å; K375-E379 WeakPolarHBondContact O-CG 3.44Å; K375-E379 PolarHBondContact O-N 2.67Å; E379-S381 VanDerWaalsContact C-N 3.26Å; E379-S381 PolarHBondContact O-N 2.92Å
380	N	53.3	Low	56.2	Low	152 Å²	152	132.2 Å²	132.2	81%	0.813	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	2.6	171.7	-79.8	25.4	0	0	0	114.4	R376 R377 S378	R376-N380 WeakPolarHBondContact O-CB 3.4Å; R376-N380 VanDerWaalsContact O-CG 3.28Å; R376-N380 PolarHBondContact O-N 2.74Å; R376-N380 PolarHBondContact O-OD1 2.92Å; R377-N380 PolarHBondContact O-N 3.13Å; S378-N380 VanDerWaalsContact C-N 3.28Å; S378-N380 PolarHBondContact O-N 2.9Å
381	S	48.2	Very low	54.1	Low	105 Å²	105	130.4 Å²	130.4	73%	0.734	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	0.6	179	-170.1	0	0	0	0	113.4	R377 S378 E379	R377-S381 PolarHBondContact O-N 2.79Å; S378-S381 PolarHBondContact O-N 3.06Å; E379-S381 VanDerWaalsContact C-N 3.26Å; E379-S381 PolarHBondContact O-N 2.92Å
382	A	49.4	Very low	51.7	Low	70 Å²	70	136 Å²	136	58%	0.579	71%	0.708	S	S	*	*	S	Bend	trans	-137.3	135.2	179.7	0	0	0	0	0	110.6
383	D	33.9	Very low	49.4	Very low	154 Å²	154	141.5 Å²	141.5	82%	0.824	73%	0.725	S	S	*	*			trans	71.2	139	-176.6	-155.8	9	0	0	0	116.7
384	A	39.9	Very low	47.5	Very low	101 Å²	101	142.7 Å²	142.7	84%	0.835	73%	0.734	S	S	*	*			trans	-158.5	41.7	-171.4	0	0	0	0	0	113
385	E	35.2	Very low	45.9	Very low	141 Å²	141	145.1 Å²	145.1	66%	0.659	74%	0.743	S	S	*	*			trans	-110.6	137	170.4	-89.3	-89.3	77.7	0	0	113.7
386	K	40.9	Very low	44.2	Very low	161 Å²	161	149.3 Å²	149.3	70%	0.7	76%	0.761	S	S	*	*			trans	-20.7	136.4	174.5	-52	167.6	-165.9	95.1	0	119.2
387	T	32.8	Very low	42.5	Very low	150 Å²	150	150 Å²	150	92%	0.92	77%	0.771	S	S	*	*				-157.4	176.5	115.9	0.7	0	0	0	0	112.1
388	E	36	Very low	41.1	Very low	190 Å²	190	148.5 Å²	148.5	89%	0.888	77%	0.773	S	S	*	*			trans	-94.4	174.2	-156.8	-68.9	-161.7	96.3	0	0	118.2
389	K	39.2	Very low	39.9	Very low	196 Å²	196	150.1 Å²	150.1	85%	0.852	78%	0.784	S	S	*	*			trans	-54.3	168.2	171.7	-83.5	174.2	-175.9	173.2	0	114.1
390	P	46.8	Very low	39.1	Very low	130 Å²	130	150.9 Å²	150.9	84%	0.844	80%	0.8	S	S	*	*			cis	-140.8	-175.7	34.4	41	-20.1	0	0	0	118.3
391	A	34.6	Very low	38.6	Very low	94 Å²	94	153.5 Å²	153.5	78%	0.777	80%	0.804	S	S	*	*			trans	-87.3	163.5	-167	0	0	0	0	0	115.3
392	R	30.8	Very low	38.3	Very low	254 Å²	254	159.5 Å²	159.5	96%	0.958	81%	0.811	S	S	*	*			trans	-143.1	129.2	154.1	-102.6	-178.3	175.9	169	0.3	110.3
393	E	31.4	Very low	37.8	Very low	165 Å²	165	164.5 Å²	164.5	77%	0.771	83%	0.828	S	S	*	*			trans	-85.1	175.9	173.3	-58.8	-173.8	121.9	0	0	112.3
394	N	34.4	Very low	38.7	Very low	141 Å²	141	168.9 Å²	168.9	75%	0.754	83%	0.833	S	S	*	*			trans	59.7	83.7	150.7	-63.2	-35.2	0	0	0	118.7
395	K	40.1	Very low	39	Very low	178 Å²	178	170.5 Å²	170.5	77%	0.774	83%	0.832	S	S	*	*			trans	-151.6	92.4	133.3	-124	-171.7	-172.5	-159.7	0	113.2	E398	K395-E398 WeakPolarHBondContact CE-OE2 3.49Å; K395-E398 IonicContact NZ-OE2 3.06Å; K395-E398 PolarHBondContact NZ-OE2 2.95Å
396	K	40.3	Very low	39.4	Very low	214 Å²	214	174 Å²	174	93%	0.93	84%	0.839	S	S	*	*			trans	-131.7	35.1	175.9	-155.6	-167.9	174.7	-178.1	0	113.5
397	E	38.2	Very low	39.6	Very low	192 Å²	192	174.1 Å²	174.1	90%	0.897	85%	0.848	S	S	*	*	S	Bend	trans	-145.8	40.1	-177.8	-153.3	172.2	-160.7	0	0	114.4
398	E	37.2	Very low	40.6	Very low	155 Å²	155	175.1 Å²	175.1	72%	0.724	84%	0.839	S	S	*	*			trans	-145.5	55.7	-179.6	-152.7	-177.4	-179.5	0	0	115.1	K395	K395-E398 WeakPolarHBondContact CE-OE2 3.49Å; K395-E398 IonicContact NZ-OE2 3.06Å; K395-E398 PolarHBondContact NZ-OE2 2.95Å
399	S	36.8	Very low	41.2	Very low	105 Å²	105	173.5 Å²	173.5	73%	0.734	84%	0.837	S	S	*	*	S	Bend	trans	-126.1	-25.7	169.8	61.8	0	0	0	0	114.6	K401	S399-K401 PolarHBondContact O-N 3Å
400	S	41.8	Very low	41.6	Very low	120 Å²	120	173.6 Å²	173.6	84%	0.839	83%	0.832	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	11.2	-169.5	-45.6	0	0	0	0	116.8
401	K	42.8	Very low	42	Very low	207 Å²	207	173 Å²	173	90%	0.9	83%	0.828	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.7	11	-172.2	-73.9	-176.2	178.9	172.3	0	116.4	S399	S399-K401 PolarHBondContact O-N 3Å
402	R	42.4	Very low	42.4	Very low	232 Å²	232	173.1 Å²	173.1	88%	0.875	83%	0.829	S	S	*	*			trans	-121.9	81.9	172	-77.6	-170.4	176.6	-174.3	1	113.3
403	N	39	Very low	43.3	Very low	175 Å²	175	167.3 Å²	167.3	94%	0.936	82%	0.816	S	S	*	*			trans	-163.4	63.9	154.5	-105.6	-31.3	0	0	0	112.3
404	R	51.6	Low	44.4	Very low	246 Å²	246	167.4 Å²	167.4	93%	0.928	82%	0.816	S	S	*	*			trans	-145.7	46.9	171.5	-157.5	174	179.9	149.5	-0.7	113.4
405	V	46.9	Very low	44.9	Very low	135 Å²	135	168.5 Å²	168.5	82%	0.818	82%	0.821	S	S	*	*			trans	-109.1	117.2	166.3	-177.8	0	0	0	0	107.9
406	R	42.8	Very low	45.4	Very low	213 Å²	213	168.9 Å²	168.9	80%	0.804	82%	0.819	S	S	*	*			trans	-76.1	126.5	168.2	-80.2	173.3	161.9	156.1	-10.2	107.6	K408	R406-K408 HydrophobicContact CB-CG 4.44Å; R406-K408 PolarHBondContact O-N 3.26Å
407	N	46.3	Very low	45.8	Very low	165 Å²	165	166.7 Å²	166.7	88%	0.882	81%	0.812	S	S	*	*			trans	-58.7	107.7	165.9	-72	-3.6	0	0	0	108.7
408	K	54.3	Low	46.1	Very low	170 Å²	170	162 Å²	162	74%	0.739	80%	0.798	S	S	*	*			trans	-108.4	-23.1	175.1	-78.8	-177	166.8	-170.4	0	112.3	R406 R410	R406-K408 HydrophobicContact CB-CG 4.44Å; R406-K408 PolarHBondContact O-N 3.26Å; K408-R410 PolarHBondContact O-N 3.17Å
409	D	48.4	Very low	46.6	Very low	156 Å²	156	158.6 Å²	158.6	83%	0.834	80%	0.804	S	S	*	*			trans	-100.3	66.7	-177.7	-53.9	-74.5	0	0	0	111.2
410	R	46.1	Very low	46.9	Very low	199 Å²	199	158.7 Å²	158.7	75%	0.751	81%	0.811	S	S	*	*			trans	-95.6	110.1	158.4	-169.3	-179.8	-169.6	-165.3	2.8	107.2	K408	K408-R410 PolarHBondContact O-N 3.17Å
411	P	55.4	Low	47.1	Very low	116 Å²	116	165.2 Å²	165.2	75%	0.753	82%	0.818	S	S	*	*			trans	-58.4	147.8	177.2	24.2	-33	0	0	0	110.4	I413	P411-I413 PolarHBondContact O-N 2.96Å
412	A	44	Very low	46.9	Very low	97 Å²	97	160.3 Å²	160.3	80%	0.802	81%	0.809	S	S	*	*			trans	-59.5	137	-164.8	0	0	0	0	0	112.9	Q414	A412-Q414 PolarHBondContact O-N 3.46Å; A412-Q414 VanDerWaalsContact O-N 3.15Å
413	I	49.2	Very low	47	Very low	133 Å²	133	159.9 Å²	159.9	68%	0.682	81%	0.808	S	S	*	*			trans	-64.6	115.1	163.9	-69.9	175.3	0	0	0	106.9	P411 L415	P411-I413 PolarHBondContact O-N 2.96Å; I413-L415 PolarHBondContact O-N 2.85Å
414	Q	53.6	Low	46.8	Very low	167 Å²	167	159 Å²	159	78%	0.78	80%	0.803	S	S	*	*			trans	-67.4	118.8	-175.4	-149.4	173.9	36.7	0	0	109.7	A412	A412-Q414 PolarHBondContact O-N 3.46Å; A412-Q414 VanDerWaalsContact O-N 3.15Å
415	L	46.4	Very low	46.2	Very low	163 Å²	163	158 Å²	158	85%	0.853	80%	0.799	S	S	*	*			trans	-83.2	118.8	-175.6	-167.9	75.2	0	0	0	109.8	I413	I413-L415 PolarHBondContact O-N 2.85Å
416	Y	49.3	Very low	45.6	Very low	187 Å²	187	157 Å²	157	73%	0.733	79%	0.794	S	S	*	*			trans	63.8	114.7	163.1	-173.8	-107.3	0	0	0	117.4	P418	Y416-P418 HydrophobicContact CD1-CG 4.27Å; Y416-P418 HydrophobicContact CE1-CB 3.92Å; Y416-P418 HydrophobicContact CE1-CG 3.66Å
417	Q	50.3	Low	45.2	Very low	167 Å²	167	153.4 Å²	153.4	78%	0.78	80%	0.796	S	S	*	*			trans	-116.7	116.4	158.7	-72.5	-164.5	8.1	0	0	110.2
418	P	43.9	Very low	44.4	Very low	95 Å²	95	149.7 Å²	149.7	62%	0.617	80%	0.796	S	S	*	*			trans	-85.9	131.4	168.5	32.5	-29.1	0	0	0	110.5	Y416	Y416-P418 HydrophobicContact CD1-CG 4.27Å; Y416-P418 HydrophobicContact CE1-CB 3.92Å; Y416-P418 HydrophobicContact CE1-CG 3.66Å
419	G	48.3	Very low	43.3	Very low	82 Å²	82	145.7 Å²	145.7	85%	0.845	80%	0.803	S	S	*	*			trans	120.6	26.7	164.6	0	0	0	0	0	118.8
420	A	41.5	Very low	42.4	Very low	107 Å²	107	141.9 Å²	141.9	88%	0.884	80%	0.8	S	S	*	*			trans	-103.4	82.6	171.2	0	0	0	0	0	111.9	S422	A420-S422 PolarHBondContact O-N 3.24Å
421	R	46.9	Very low	41.8	Very low	257 Å²	257	137.8 Å²	137.8	97%	0.97	81%	0.81	S	S	*	*			trans	-93.8	93.6	-179.9	-154.2	-174.2	-167.6	-151.5	5.8	110.7
422	S	39.1	Very low	40.9	Very low	104 Å²	104	139.4 Å²	139.4	73%	0.727	81%	0.812	S	S	*	*			trans	-135.1	123.4	169	-154.2	0	0	0	0	109	A420	A420-S422 PolarHBondContact O-N 3.24Å
423	R	43.4	Very low	40.5	Very low	224 Å²	224	140 Å²	140	85%	0.845	81%	0.81	S	S	*	*				48.2	103.5	70.2	-85	-178.2	162.7	158	-6.3	109.9
424	N	35.7	Very low	39.6	Very low	155 Å²	155	137.1 Å²	137.1	83%	0.829	81%	0.813	S	S	*	*			cis	-148.3	173.8	37.3	-81.2	-17.2	0	0	0	114.6
425	R	37.6	Very low	38.6	Very low	226 Å²	226	135.5 Å²	135.5	85%	0.853	82%	0.82	S	S	*	*			trans	-114.1	171.2	161.7	-112.9	-172.8	-172.7	-175.1	3.4	108.6
426	T	35.2	Very low	38.1	Very low	114 Å²	114	132.2 Å²	132.2	70%	0.699	82%	0.817	S	S	*	*			trans	57.6	101.7	157.6	45.5	0	0	0	0	116.5
427	T	33.9	Very low	37.6	Very low	138 Å²	138	130.8 Å²	130.8	85%	0.847	82%	0.822	S	S	*	*				69.4	133	76.6	62	0	0	0	0	114.7
428	G	29.2	Very low	36.8	Very low	87 Å²	87	134.1 Å²	134.1	90%	0.897	83%	0.827	S	S	*	*			trans	108.8	131.2	175.9	0	0	0	0	0	111.6
429	G	30.9	Very low	36.9	Very low	85 Å²	85	137.5 Å²	137.5	88%	0.876	83%	0.832	S	S	*	*			trans	-147.9	171.1	169.7	0	0	0	0	0	109.1
430	G	31.1	Very low	36.7	Very low	76 Å²	76	139.7 Å²	139.7	78%	0.784	83%	0.832	S	S	*	*			trans	140.8	146.1	172.1	0	0	0	0	0	114.3
431	A	32.6	Very low	36.3	Very low	114 Å²	114	140.5 Å²	140.5	94%	0.942	82%	0.821	S	S	*	*			trans	71.3	162.3	169.5	0	0	0	0	0	118.1
432	D	36.1	Very low	35.7	Very low	150 Å²	150	133.1 Å²	133.1	80%	0.802	82%	0.815	S	S	*	*			trans	-146.1	166	-159.7	175.6	34.7	0	0	0	109.4
433	S	36.1	Very low	35.5	Very low	108 Å²	108	136.1 Å²	136.1	76%	0.755	82%	0.823	S	S	*	*			trans	70.5	163.3	168	82.8	0	0	0	0	118.7
434	G	30.6	Very low	35	Very low	73 Å²	73	132.8 Å²	132.8	75%	0.753	82%	0.821	S	S	*	*			trans	105.3	90.8	145.8	0	0	0	0	0	117
435	S	33.4	Very low	35	Very low	133 Å²	133	134.6 Å²	134.6	93%	0.93	82%	0.822	S	S	*	*			trans	-77.3	121.6	156.3	-179.8	0	0	0	0	109.6
436	A	34.7	Very low	34.9	Very low	95 Å²	95	132.9 Å²	132.9	79%	0.785	82%	0.821	S	S	*	*			trans	-157.1	125.2	164.2	0	0	0	0	0	111.1
437	D	39.3	Very low	34.8	Very low	156 Å²	156	132.5 Å²	132.5	83%	0.834	83%	0.83	S	S	*	*			trans	-72.6	133.2	167.7	-110.9	-61.4	0	0	0	111.1
438	R	34.2	Very low	35	Very low	238 Å²	238	129.7 Å²	129.7	90%	0.898	82%	0.82	S	S	*	*			trans	165.6	132.1	131.7	-88.8	153.2	-169.4	-156.4	0.8	113.3
439	K	45.3	Very low	35.4	Very low	166 Å²	166	132.1 Å²	132.1	72%	0.722	81%	0.812	S	S	*	*			trans	-77.4	156.7	153.6	-83.8	-159.5	168.4	-155.9	0	109.9	D441	K439-D441 IonicContact NZ-OD2 2.71Å; K439-D441 PolarHBondContact NZ-OD2 3.49Å
440	P	44.3	Very low	35.8	Very low	128 Å²	128	137.8 Å²	137.8	83%	0.831	81%	0.808	S	S	*	*				-128.2	154.3	83.3	9.8	12.2	0	0	0	114.4
441	D	32.4	Very low	36.2	Very low	124 Å²	124	141.1 Å²	141.1	66%	0.663	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-82.4	158.2	156.2	-72.7	-80.4	0	0	0	109.7	K439	K439-D441 IonicContact NZ-OD2 2.71Å; K439-D441 PolarHBondContact NZ-OD2 3.49Å
442	A	34.5	Very low	36.7	Very low	101 Å²	101	144.7 Å²	144.7	84%	0.835	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-80.5	146.6	-178.2	0	0	0	0	0	113.6
443	D	35.1	Very low	36.9	Very low	168 Å²	168	149.3 Å²	149.3	90%	0.898	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-63.4	143.3	174.3	-80.1	-68.5	0	0	0	113.7
444	N	32.1	Very low	36.9	Very low	153 Å²	153	151.4 Å²	151.4	82%	0.818	83%	0.828	S	S	*	*			trans	-154.8	99.4	158.3	-173.1	-6.3	0	0	0	111
445	K	37.4	Very low	37.3	Very low	194 Å²	194	155.5 Å²	155.5	84%	0.843	83%	0.832	S	S	*	*			trans	-157.6	115.4	164.4	-117.7	164.7	-175.3	172.6	0	112.8
446	K	34.6	Very low	37.5	Very low	189 Å²	189	156.7 Å²	156.7	82%	0.822	83%	0.826	S	S	*	*			trans	45.7	112.2	150.4	-64.8	-172.2	170.2	-166	0	118.7
447	A	32.6	Very low	37.6	Very low	107 Å²	107	160.4 Å²	160.4	88%	0.884	83%	0.829	S	S	*	*			trans	-78.1	138.5	137	0	0	0	0	0	109.4
448	A	38.7	Very low	37.5	Very low	79 Å²	79	160.6 Å²	160.6	65%	0.653	83%	0.828	S	S	*	*			trans	-161.3	120.1	162.9	0	0	0	0	0	108.7
449	D	38.1	Very low	37.7	Very low	137 Å²	137	155.5 Å²	155.5	73%	0.733	82%	0.824	S	S	*	*			trans	53.1	124.2	159.1	-73.5	-60.3	0	0	0	121.4
450	R	38.5	Very low	37.2	Very low	205 Å²	205	154.7 Å²	154.7	77%	0.774	83%	0.831	S	S	*	*				40	150.2	110.2	-72.5	-175.5	145	144.4	-4.6	121.1
451	E	40.3	Very low	36.7	Very low	146 Å²	146	156.8 Å²	156.8	68%	0.682	83%	0.831	S	S	*	*			cis	-171.6	160.2	-17.2	-146.3	158.8	178.2	0	0	106.2
452	E	42.2	Very low	37	Very low	189 Å²	189	159.5 Å²	159.5	88%	0.883	85%	0.845	S	S	*	*			trans	69.9	150	169.3	-56	-172.1	125.9	0	0	120.4
453	D	40.1	Very low	37.2	Very low	246 Å²	246	164.8 Å²	164.8	100%	1.316	85%	0.846	S	S	*	*			trans	37.9	0	177.5	-74.1	-29.8	0	0	0	120.5

Retrieved 453 of 453 residues in 274.3 ms (Link to these results)

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